smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(c1ccccc1)c1ccccc1OCc1nc2ccccc2s1 35284 BZYREEXUWLGWMH-UHFFFAOYSA-N 345.423 5.106 0 40 EKAB COc1ccc([C@H](c2c(C)[nH]c3ccccc23)N2CCC(C)CC2)cc1 72029 ZSUAVCMXGBZSRT-HSZRJFAPSA-N 348.490 5.306 0 40 EKAB Cc1cccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1 98262 HWGUHHNFPZNYQI-UHFFFAOYSA-N 326.509 6.051 0 40 EKAB CCCC(=O)Nc1cccc(-c2nc3cc([C@@H](C)CC)ccc3o2)c1 570327 UZBRZCZCTLPEGR-AWEZNQCLSA-N 336.435 5.747 0 40 EKAB COC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 993121 NLNREGRYDXGVLN-UHFFFAOYSA-N 339.822 5.267 0 40 EKAB CCN(CC)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2267192 WHBRMUWCADWZCT-UHFFFAOYSA-N 346.261 5.450 0 40 EKAB C[C@H](NC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 3059041 UAECQPQFLBXOOB-HNNXBMFYSA-N 335.834 5.498 0 40 EKAB CCCC1CCC(c2ccc(C(=O)Oc3ccc(C)nc3)cc2)CC1 3107778 MMTYIHJHZJHQEH-UHFFFAOYSA-N 337.463 5.683 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 3234315 FBTSGGZYKQGLKC-AWEZNQCLSA-N 347.911 5.725 0 40 EKAB C[C@@H]1CC(NC2CCCCC2)=Nc2ccccc2N1Cc1ccccc1 3671096 GYUWWNGCFSDGRK-GOSISDBHSA-N 347.506 5.438 0 40 EKAB c1ccc(N2Cc3ccccc3C2(c2ccccc2)c2ccccc2)cc1 4963980 CCLUZIYJTXNLLV-UHFFFAOYSA-N 347.461 5.999 0 40 EKAB C[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN12 5445680 XAPJFQGEZHMFNL-AOMKIAJQSA-N 340.426 5.243 0 40 EKAB Cc1ccc(C)c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 6465393 YMSANQMQSBPOCS-ZDUSSCGKSA-N 344.505 5.072 0 40 EKAB CCOc1cc(CN[C@@H](C)CC)cc(Cl)c1OCc1ccccc1 8326667 MRHBYLWYUOAWKM-HNNXBMFYSA-N 347.886 5.206 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(Cl)c1 12429077 SHZIKGGJQGAFDW-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB O=C(O)c1cc(Cl)c(OCc2c(F)cccc2Cl)c(Cl)c1 13422898 WUDPEYKNLRTSNA-UHFFFAOYSA-N 349.572 5.063 0 40 EKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1c(Cl)cccc1Cl 13710061 CEJDPZYKFDXOPU-VIFPVBQESA-N 344.625 5.053 0 40 EKAB CC(C)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 15838537 TVYMOPZUSFXVHA-UHFFFAOYSA-N 339.822 5.392 0 40 EKAB Cc1cc(Br)ccc1-c1ccc(CNC2CCCCC2)o1 20875869 PKMIJJKKDGPYCW-UHFFFAOYSA-N 348.284 5.440 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(C)cccc1C(C)C 22527944 CWESIFQGTNMZCJ-QGZVFWFLSA-N 345.870 5.568 0 40 EKAB O=C(C[C@H]1C=CCC1)Nc1ccccc1Oc1ccccc1Cl 24401314 GWNILNUXTZPONV-AWEZNQCLSA-N 327.811 5.427 0 40 EKAB CSc1ccc(Cl)c(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)c1 30836514 VHDINRDCYFVICN-RYUDHWBXSA-N 325.905 5.007 0 40 EKAB CC(C)Oc1ccc([C@H](CCN[C@H]2CCOC(C)(C)C2)C(C)C)cc1 32124177 ULEQXDNKKGBCBW-PZJWPPBQSA-N 347.543 5.151 0 40 EKAB biogenic C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)Cc1ccccc1-2 32825888 GNJRRGNLBLEUQN-AWEZNQCLSA-N 333.456 5.153 0 40 EKAB O=C(O)/C(=C\c1ccc(Sc2ccccc2)cc1)c1ccccc1 85347734 SFLGVQAYEJUEIN-HKWRFOASSA-N 332.424 5.463 0 40 EKAB CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(C)cc1C 219651017 ZLKIGWMLYLWBBZ-GOSISDBHSA-N 327.493 5.297 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c(Cl)c1 225653678 JGWUCGVHHFVGIB-SFHVURJKSA-N 341.879 5.053 0 40 EKAB CCCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC[C@@H](C)C1 225661247 PQBLOMQJYJVMDX-WWMYMODYSA-N 347.499 5.178 0 40 EKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225733522 FRWYUYYABHGRTG-OXJNMPFZSA-N 335.488 5.034 0 40 EKAB CCc1ccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)cc1 408578888 BMUYGZSVYMAMND-UHFFFAOYSA-N 336.460 5.242 0 40 EKAB Clc1ccc(Sc2ccc(-c3nc4ccccc4s3)o2)cc1 409189238 NNIGVZCSOPFQCY-UHFFFAOYSA-N 343.860 6.361 0 40 EKAB CCc1cccc(C)c1NC(=O)c1sc2ccccc2c1Cl 513710 ITFRFEXSLYBDNZ-UHFFFAOYSA-N 329.852 5.678 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 568920 IZPPMYHADIWIMS-ZDUSSCGKSA-N 345.870 5.488 0 40 EKAB CCCCC[C@H](CN(C)C)[C@H](O)CCc1ccc(Cl)c(Cl)c1 1731555 HEFONFMNWNTALQ-CRAIPNDOSA-N 346.342 5.045 0 40 EKAB Cc1cc(C)cc(CCC(=O)c2ccc(Br)c(F)c2)c1 2517706 ZOTDLEXESFLXNJ-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB Clc1ccc2oc(Nc3ccc4c(c3)Cc3ccccc3-4)nc2c1 2645066 RCDXRFQEKTUQEC-UHFFFAOYSA-N 332.790 5.796 0 40 EKAB c1ccc2c(c1)NC1(CCC3(CC1)Nc1ccccc1S3)S2 3174013 MUPRGSRHZOBSLD-UHFFFAOYSA-N 326.490 5.389 0 40 EKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccco2)N3)C1 4553414 GOAGNGBAMUIQJP-BZNIZROVSA-N 344.480 5.311 0 40 EKAB COc1ccccc1CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 6861377 DYHRAHQWZBUDNG-NRFANRHFSA-N 337.850 5.228 0 40 EKAB Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1ccccc1 11180381 IYQRARQQJOBSJW-UHFFFAOYSA-N 334.444 5.134 0 40 EKAB O=C(Nc1ccncc1)c1ccc(-c2cccc3ccccc23)s1 12516074 WJJGENLTNYYRRD-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB CCCO[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 13408406 FZEADSGDYUIZQS-KAKDVIIHSA-N 332.528 5.105 0 40 EKAB O=C(Nc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59961015 GGDYAMCNGAVXEA-UHFFFAOYSA-N 346.474 5.798 0 40 EKAB c1ccc([C@@H](NCc2csc(-c3ccsc3)n2)C2CC2)cc1 78347674 REUIQDWGQAIPOB-QGZVFWFLSA-N 326.490 5.113 0 40 EKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Nc1cccc(Cl)c1 222631829 JNWLZQRQAFVFCB-INIZCTEOSA-N 344.842 5.072 0 40 EKAB CC(C)CC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 359611 VDPJARCIVYPFPF-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB O=C(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 573686 JGQDWYKHBISYBI-UHFFFAOYSA-N 335.403 5.121 0 40 EKAB Cc1ccc(Sc2ccc(NC(=O)c3ccncc3)cc2)c(C)c1 6472851 KCKIRZPKSUMFGE-UHFFFAOYSA-N 334.444 5.102 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(C)c1 7610190 MKIBUGKWIOUYJT-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(C(F)(F)F)c1 7668950 FUUYPUWIJGJTKS-UHFFFAOYSA-N 349.396 6.205 0 40 EKAB C1=C(/C=C/c2ccccc2)C[C@H](c2ccccc2)C(c2ccccc2)=C1 8385021 PSEWIMFWFJUOBY-ZMNABIIRSA-N 334.462 6.897 0 40 EKAB CCOc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1 9141826 XTHQEXRCCSNXSA-UHFFFAOYSA-N 343.732 5.010 0 40 EKAB CC(C)c1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 11368493 HSMAEPBNJUMQCI-UHFFFAOYSA-N 334.419 5.036 0 40 EKAB Cc1cc(C)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(C)c1 17071074 MSBLBUUWRWVBGQ-UHFFFAOYSA-N 339.291 5.728 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 19862212 QFEHNMKROHXPFO-IPJCAIGPSA-N 338.532 6.061 0 40 EKAB Cc1ccc(C)c(C(=O)c2cc3cc(Br)ccc3o2)c1 20362307 YWRVZMNVQLSUCH-UHFFFAOYSA-N 329.193 5.043 0 40 EKAB Cc1ccc(Nc2ncccc2C(=O)Nc2ccc(Cl)cc2)cc1 22072270 ZKZDUYXASLSPQU-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB CCc1ccc(NCCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 32119689 XHESZHCXDRLDSG-UHFFFAOYSA-N 341.454 5.505 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2ccccn12 35606544 BPQPAJISOBDOTJ-UHFFFAOYSA-N 343.430 5.321 0 40 EKAB Cc1ccc2c(CC(=O)Nc3ccc4ccccc4c3)coc2c1C 39883747 SOXFEKPHYBSSDX-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB CC[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 44904532 DBMLHEQDOGNZLK-IBGZPJMESA-N 329.399 5.467 0 40 EKAB O=C(Nc1ccccc1COc1ccccc1)c1cc2ccccc2o1 95364926 QBONETXWBVZYRG-UHFFFAOYSA-N 343.382 5.264 0 40 EKAB O=C(O)CC/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2s1 96767632 NRINSHCQROWIHO-QBFSEMIESA-N 343.835 5.355 0 40 EKAB CCc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1 225763965 RPIFVSJTQGGLEK-HXUWFJFHSA-N 340.536 5.550 0 40 EKAB S=c1sc2c(s1)S[C@@H]1[C@H](C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]31)S2 245230763 YJEUJNZJEIHEBL-KZZCMQFTSA-N 328.574 5.316 0 40 EKAB Cc1ccccc1C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 509440993 IJGZRRQCJBLABY-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB O=Cc1ccc(-c2ccc(CN3CCCc4ccccc43)cc2)cc1 585090255 ZFIAVHLDLPGFDC-UHFFFAOYSA-N 327.427 5.119 0 40 EKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 63567 PSYWBQJMJXIMKJ-QFIPXVFZSA-N 342.442 5.329 0 40 EKAB O=C(Nc1ccc(Cl)cc1)C1C(c2ccccc2)=C1c1ccccc1 305992 SMQQCPRZDZTJTF-UHFFFAOYSA-N 345.829 5.519 0 40 EKAB Cc1ccc([C@@H](CCN[C@@H](C)c2cccs2)c2ccco2)cc1 549332 JFDCWISCXVUYIG-FUHWJXTLSA-N 325.477 5.522 0 40 EKAB CCCCOc1ccc2c(=O)c(Oc3ccccc3CC)coc2c1 1916186 FSGFUQTYSPCBRC-UHFFFAOYSA-N 338.403 5.327 0 40 EKAB CC(C)CC[C@]1(CCN[C@@H](C)c2cccs2)CCOC(C)(C)C1 2450228 NUYURMBOCIDFQI-PXNSSMCTSA-N 337.573 5.800 0 40 EKAB CCCCCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 2518093 AUKFLZYTUKXDEJ-UHFFFAOYSA-N 346.511 5.562 0 40 EKAB Cc1ccccc1-n1nc(C)c2c(C)cc(-c3ccc(Cl)cc3)nc21 2638423 LQQBGNRBRPPNMF-UHFFFAOYSA-N 347.849 5.666 0 40 EKAB O=C(COc1ccccc1Cl)Nc1ccccc1-c1ccccc1 5775795 PUKSELCTIRIPNO-UHFFFAOYSA-N 337.806 5.025 0 40 EKAB Cc1cccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 7504067 UPPRIQJNFDFAHR-HXUWFJFHSA-N 341.414 5.247 0 40 EKAB Cc1ccc(COc2cccc(C(=S)NC3CCCCC3)c2)cc1 9188044 PQFKLYOXGPXVQC-UHFFFAOYSA-N 339.504 5.172 0 40 EKAB Clc1ccc(-c2cc3nc(-c4ccccc4)cc(Cl)n3n2)cc1 13562722 YPHABIMODRQRNI-UHFFFAOYSA-N 340.213 5.370 0 40 EKAB COc1cc2ccccc2cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 20486361 HKECCIMCXFSAIP-NRFANRHFSA-N 347.458 5.366 0 40 EKAB CCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1 27793693 PCXWYVMGTNBKBZ-UHFFFAOYSA-N 339.435 5.297 0 40 EKAB Cc1ccc(-c2nnc([C@H](C)Sc3ccc(F)cc3F)o2)cc1 39978755 PAUSWZMOCLXPTR-NSHDSACASA-N 332.375 5.177 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)c(C)c1 40159751 GSIUIYQBYOPCBA-UHFFFAOYSA-N 325.355 5.168 0 40 EKAB Cc1cc(Nc2ccccc2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40216986 RPHDSOHHKWIHLC-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59477523 GMRXQFVCOQJLKO-BMRADRMJSA-N 345.442 5.941 0 40 EKAB CCC1(CC)C[C@@H](NC(=O)c2cccc(Cl)c2)c2ccccc2O1 223996845 BJJILUZBQQHOLR-QGZVFWFLSA-N 343.854 5.152 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 225321619 KDFOKIXZEAOVCO-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225744099 UYSKMWAMZKYXFA-UZLBHIALSA-N 335.488 5.178 0 40 EKAB CC(C)(Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)O 1615058226 MNCGNVRKZOKNFQ-UHFFFAOYSA-N 340.316 5.165 0 40 EKAB Cc1cc(=O)oc2cc3occ(-c4ccc5ccccc5c4)c3cc12 485867 QSUMPAZHNWVKET-UHFFFAOYSA-N 326.351 5.668 0 40 EKAB biogenic Cc1cc(C)cc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 2729073 GKUUGKDBNQUTKD-UHFFFAOYSA-N 329.443 5.464 0 40 EKAB CSCCSc1sc(=S)sc1SCCSC 3194291 GZGUKOMRKYLASE-UHFFFAOYSA-N 346.680 5.449 0 40 EKAB CC(C)(C)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3203060 RERCCSMZHFACOT-UHFFFAOYSA-N 337.250 5.935 0 40 EKAB Cc1ccc(C(c2ccc(C)o2)c2cc(Br)ccc2O)o1 3846767 IMVIXKJGEQPMGN-UHFFFAOYSA-N 347.208 5.138 0 40 EKAB biogenic O=C(N[C@H]1CCCc2ccccc21)C(c1ccccc1)c1ccccc1 5965953 NUBQWRQWXGDXMU-QFIPXVFZSA-N 341.454 5.012 0 40 EKAB Cc1ccc(-c2csc(NC(=O)CCC3CCCCC3)n2)cc1 6277824 BUBSOSATHVLZIA-UHFFFAOYSA-N 328.481 5.418 0 40 EKAB O=C(Oc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 6598209 GZZILOYCJZWJNM-UHFFFAOYSA-N 343.209 5.880 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1cnc2onc(C(C)C)c2c1 11429120 LLUXXHYGMHOHHC-UHFFFAOYSA-N 337.423 5.030 0 40 EKAB O=C(Nc1ccccc1OCc1ccccc1)c1cccc(Cl)c1 12137978 GFORTVAVHKMGOY-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C(C)C)cc1 20137628 ZJFGVDBEPZEIQY-UHFFFAOYSA-N 349.430 5.123 0 40 EKAB CC(C)c1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1 27662651 HAIKKJDFHQVLQL-UHFFFAOYSA-N 336.460 5.114 0 40 EKAB Cc1ccc(C(C)C)c(Oc2nc3ccccc3nc2N2CCCC2)c1 45900721 XCGUCSNYDONBBL-UHFFFAOYSA-N 347.462 5.454 0 40 EKAB Cc1cc(C)cc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)c1 73740040 RWLBJZPZGDTKFI-UHFFFAOYSA-N 332.834 5.963 0 40 EKAB Cc1c(F)cccc1NC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 89540351 LXJWFKKZZLGMLJ-UWJYYQICSA-N 338.426 5.067 0 40 EKAB O=C(NCc1ccccc1-c1ccsc1)c1cc2ccccc2o1 96122888 OYYFHQHFULVBBL-UHFFFAOYSA-N 333.412 5.091 0 40 EKAB CC1(C)CC2=C[C@]3(C)CC(C)(C)C[C@@]4(C3)Nc3ccccc3C(=C24)C1 102453275 PHBAQGYYSGARNA-RPWUZVMVSA-N 333.519 6.581 0 40 EKAB Fc1ccc(COc2ccccc2CNc2ccc(F)cc2)cc1 106957620 UUNLFAYBEXIASN-UHFFFAOYSA-N 325.358 5.156 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)cc(C)cc1C 222955275 COXMDMMFZQOSDS-GOSISDBHSA-N 325.452 5.025 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3ccccc3Cl)CCCC2)c1 225843949 ZLAOQJUJBXZBCM-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)O 299888818 YUZXOJOCNGKDNI-CMRPQLRDSA-N 344.495 5.520 0 40 EKAB Cc1sc(=Nc2ccc(Cl)cc2Cl)[nH]c1-c1ccccc1 409049397 WOQHHDSDDMXQAQ-UHFFFAOYSA-N 335.259 5.591 0 40 EKAB Cc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1C 521244 OCLZLBUGYNWRJD-UHFFFAOYSA-N 327.387 5.101 0 40 EKAB CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 2570955 IBNCWLQZJDFHTG-JXMROGBWSA-N 331.818 5.330 0 40 EKAB O=C(Nc1ccccc1Cl)N1CCSc2cc(Cl)ccc21 3016142 CEDVWBGMWAAPBN-UHFFFAOYSA-N 339.247 5.138 0 40 EKAB Cc1nc2c(cc(OCc3c(C)noc3C)c3ccsc32)s1 3270705 KJEFUPNTBWVYRK-UHFFFAOYSA-N 330.434 5.003 0 40 EKAB COc1cccc(-c2cc3ccccn3c2C(=O)c2cccc(C)c2)c1 3306300 VXHWNYLOVAYGGO-UHFFFAOYSA-N 341.410 5.154 0 40 EKAB O=C(CNc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 4081929 PRLQBNZAPGMLBA-UHFFFAOYSA-N 337.806 5.427 0 40 EKAB Cc1ccccc1-c1nnc(S[C@@H](C)c2ccccc2Cl)n1C 5210154 NBUPXHHCORCRBD-ZDUSSCGKSA-N 343.883 5.297 0 40 EKAB Cc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 6044443 WDLLIXDBOIRPAU-HXUWFJFHSA-N 335.497 6.414 0 40 EKAB CC(C)Oc1ccccc1/C=C/c1nc(-c2ccc(F)cc2)cs1 6049133 CRETZBBWLIWHOC-FMIVXFBMSA-N 339.435 5.907 0 40 EKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 6049957 CJGZNSREAMKENG-VIFPVBQESA-N 344.625 5.053 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 6654172 LCXRGVSCOYNMRD-INIZCTEOSA-N 327.493 5.290 0 40 EKAB CC/C=C/C/C=C/C/C=C\CCCCCCCCCCCC(=O)OC 6763410 RXNIYBHTXVTSAK-GVNKBMKVSA-N 348.571 7.309 0 40 EKAB Cc1ccccc1N(C(=O)C1CCCC1)c1nc2ccccc2s1 7486110 OQFBWWODSAXYGU-UHFFFAOYSA-N 336.460 5.460 0 40 EKAB CN(C(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 10284952 QKEWRBXOXORIKX-UHFFFAOYSA-N 333.456 5.256 0 40 EKAB O=C(CCc1ccsc1)Nc1ccc(-c2nc3ccccc3o2)cc1 10422321 WJMLFLYUBBSMMI-UHFFFAOYSA-N 348.427 5.128 0 40 EKAB Cc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1C(=O)O 11800765 FDSWGHQWTXSMAB-UHFFFAOYSA-N 345.807 5.262 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14400606 CGKIVJRJLKHBFD-AWEZNQCLSA-N 345.870 5.352 0 40 EKAB C[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(F)cc1 20459684 QHNRTXXHSCSRIT-ZDUSSCGKSA-N 333.362 5.216 0 40 EKAB Cc1cccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1 23126579 SCBQFWUQTYIGDW-UHFFFAOYSA-N 349.434 5.136 0 40 EKAB Cc1ccc(-c2cnn3c(Nc4cccc(C)c4)cc(C)nc23)cc1 27585845 SFYGHRFCWKLYOE-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)[C@@H](C)c1cccs1 48340089 MOUJSVDNRQRJQM-LBPRGKRZSA-N 344.867 5.091 0 40 EKAB CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1 90423789 YBPXWWAJMUUUAV-UHFFFAOYSA-N 344.351 6.530 0 40 EKAB C[C@H](N[C@@H](C)c1ccc(-c2ccccc2F)s1)c1ccncc1 95967097 HYAFICGCVNBABQ-KBPBESRZSA-N 326.440 5.361 0 40 EKAB O=C(CCc1cccc2ccccc12)Nc1cccc(C(F)(F)F)c1 222659031 VUVBRJCOBLCNPE-UHFFFAOYSA-N 343.348 5.430 0 40 EKAB O=C(NCC1=CCCCC1)c1ccccc1SCc1ccccc1 224092571 ZKKOSIMHPMOLAY-UHFFFAOYSA-N 337.488 5.209 0 40 EKAB Cc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 225227172 GQENUFMHIDSDBI-UHFFFAOYSA-N 341.760 5.157 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225355326 UMWIYIZUZWWFGG-ZDUSSCGKSA-N 336.262 5.112 0 40 EKAB CCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCCC1 225712040 PTGOSZXSSLMIHZ-UHFFFAOYSA-N 347.499 5.159 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(N)c1 226348199 ZDKMLGOVSFAGOK-UHFFFAOYSA-N 340.810 5.051 0 40 EKAB CCCOc1c(Cl)cc(Cl)cc1CNc1cc(C)ccc1C 409116301 JXLWVYQQFZLYJC-UHFFFAOYSA-N 338.278 6.011 0 40 EKAB O=C(Cc1coc2ccc(F)cc12)Nc1cc(Cl)cc(Cl)c1 1740818977 SFVPWOALGMACTG-UHFFFAOYSA-N 338.165 5.060 0 40 EKAB Cc1nc(Oc2ccc(C)c(C)c2)c2c3c(sc2n1)C[C@H](C)CC3 116733 GDEVCTZVGWRCBW-LLVKDONJSA-N 338.476 5.534 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccc(Br)cc3)n[nH]c21 387834 NRARIJLIMMHVAW-RISCZKNCSA-N 333.273 5.476 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(Cl)c1)c1ccncc1 506027 OIAVWFZTXVOGPN-OAQYLSRUSA-N 347.849 5.726 0 40 EKAB C[C@H](NCC[C@@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 2110171 PLOSVZGCTGIPMD-WMZHIEFXSA-N 337.507 5.254 0 40 EKAB biogenic c1ccc(-c2cc(-c3ccccc3)c3nonc3c2-c2ccccc2)cc1 2184614 GAXMCROZNGOTJM-UHFFFAOYSA-N 348.405 6.224 0 40 EKAB Clc1cc(Cl)c(Cl)c(-c2ccc(Cl)c(Cl)c2)c1 2569360 PVYBHVJTMRRXLG-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic Cc1cc(C)c(NC(=O)CCc2c[nH]c3ccccc23)c(Cl)c1 2643005 SDTCVXBYYXXOMV-UHFFFAOYSA-N 326.827 5.009 0 40 EKAB Oc1cccc2ccc(/C=C/c3ccc(-c4ccc(Cl)cc4)o3)nc12 4302823 XOBICLXNOUQBMW-ZHACJKMWSA-N 347.801 6.024 0 40 EKAB O=C(CCSc1ccc(F)cc1)Nc1cccc(Cl)c1Cl 4496862 GBDHSCKDPDNCCE-UHFFFAOYSA-N 344.238 5.253 0 40 EKAB S=C(NCCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 5616761 LDEUXDUDXGYFDR-UHFFFAOYSA-N 348.471 5.008 0 40 EKAB CC(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1 6358927 PPZXFQBXCQKTJW-GHRIWEEISA-N 343.426 5.543 0 40 EKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 16322392 YQIMHKJDXMUKEU-VIFPVBQESA-N 344.238 5.252 0 40 EKAB C/C(=C\c1ccccc1)CN[C@H](Cc1cccs1)c1nccs1 72341750 OVBDGXXSVFITHD-NKAIQICCSA-N 340.517 5.182 0 40 EKAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 224940916 JQWGLIIJQYWHMO-RVDMUPIBSA-N 349.518 5.439 0 40 EKAB C[C@H](CC(=O)c1ccc(Br)cc1Cl)CC(C)(C)C 575362140 HYUMTEXARMOXCJ-SNVBAGLBSA-N 331.681 5.748 0 40 EKAB CC[C@@H](C(=O)N[C@@H](C)Cc1csc2ccccc12)c1ccccc1 575621732 SBVCVSWYDAEEMQ-MAUKXSAKSA-N 337.488 5.142 0 40 EKAB COc1cccc(Oc2nnc(-c3ccccc3)c3ccccc23)c1 137271 MLQLEGJPAPMIAW-UHFFFAOYSA-N 328.371 5.098 0 40 EKAB CC1=CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2ccc(C)cc21 169650 LZLGLMIWGHIOBG-UHFFFAOYSA-N 340.854 5.882 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(F)c1)c1ccccn1 1448669 KQFCEDFLQZHVGJ-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB CC(C)c1cc(Cc2ccccc2)cc(C(C)C)c1OCCN(C)C 1734064 VYPUJVWNMGIZTO-UHFFFAOYSA-N 339.523 5.465 0 40 EKAB CCCCCC1CCC(c2ccc(-c3nnc(N)s3)cc2)CC1 2356512 JFRCJFRIEKOBPV-UHFFFAOYSA-N 329.513 5.641 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccco2)nc2ccccc12 6342281 ZWYAYFDEDKHCAG-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB Cc1cccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1C 6614463 ZWTSJJALEXVBOM-UHFFFAOYSA-N 348.427 5.277 0 40 EKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Oc1ccccc1 6754191 SDDRTFCVWPWXOB-UHFFFAOYSA-N 347.458 5.765 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1Cl 8382765 PIPXLALTLRQIPK-UHFFFAOYSA-N 325.795 5.144 0 40 EKAB CC(C)c1cc2ccc1CCc1ccc(cc1Br)CC2 8384515 OUEYJGPOWHYNER-UHFFFAOYSA-N 329.281 5.456 0 40 EKAB Cc1ccsc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 10215050 YEORHMXCJGDJOZ-GHTZIAJQSA-N 346.455 5.299 0 40 EKAB C[C@H](Nc1ccc2c3c(cccc13)CC2)c1nnc(-c2cccs2)o1 12534365 FXSMHDVAZZGIHN-LBPRGKRZSA-N 347.443 5.223 0 40 EKAB C[C@H]1C[C@@H](C)CN(C(=O)N2c3ccccc3Sc3ccccc32)C1 13574337 NGGPJPOYDLNDLC-GASCZTMLSA-N 338.476 5.387 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C 20108092 KSNOLIIBDPFESZ-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccccc1NC(=O)c1cccnc1Nc1c(C)cccc1C 22072532 YOZDDUXYEQGDGJ-UHFFFAOYSA-N 331.419 5.003 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccccc1Cl 30864401 MIGXWGLXHWLSAK-INIZCTEOSA-N 331.843 5.007 0 40 EKAB Cc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)c(C)c1 38651969 PFKIBJBFPCLZDO-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 44845251 MZKBZEURHISSFH-UHFFFAOYSA-N 343.898 5.229 0 40 EKAB CCCC1CCC(c2ccc(I)cc2)CC1 49588466 QBYHVVBZXPJPKK-UHFFFAOYSA-N 328.237 5.365 0 40 EKAB CCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1 55161235 NZXZINXFUSKTPH-UHFFFAOYSA-N 334.494 7.235 0 40 EKAB O=C(NCc1ccc(Cl)cc1)c1cccc2c(Cl)cccc12 95117358 MNOFESTTYFLAJM-UHFFFAOYSA-N 330.214 5.077 0 40 EKAB Cc1cc(Br)c2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 216911579 KSNPYGQKKMRRCE-UHFFFAOYSA-N 343.268 5.598 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225444672 VUMJYEVBIRMLCP-INIZCTEOSA-N 337.463 5.095 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CCCC)OC)cc1C 225620757 SGGVPHGSLFMZAS-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2ccccc12 225676431 QCEMPACICYUWPO-UHFFFAOYSA-N 345.442 5.299 0 40 EKAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 260818166 WHSFGWUEMVLJDB-XXHMAFKTSA-N 347.499 5.015 0 40 EKAB CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)c2ccccc12 409094592 FFYGMMKENLRBTB-MOSHPQCFSA-N 347.439 5.324 0 40 EKAB Fc1ccc(Oc2ccc(Cl)cc2)c(OCCN2CCCCC2)c1 585265390 NIHJTSGOLQHJAN-UHFFFAOYSA-N 349.833 5.136 0 40 EKAB FC(F)(F)c1cccc(N2COc3ccc4ccccc4c3C2)c1 98347 KSOKVAQWSPTDEI-UHFFFAOYSA-N 329.321 5.215 0 40 EKAB Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)c1 577243 FGPHYYJIYJLZHF-UHFFFAOYSA-N 335.834 5.495 0 40 EKAB O=C(c1ccc(Cl)cc1Cl)n1c2ccccc2c2ccccc21 2258276 LMEOLVKMUVOHEC-UHFFFAOYSA-N 340.209 5.790 0 40 EKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 2634635 BXUSJCXAZFVEQW-UHFFFAOYSA-N 349.044 5.481 0 40 EKAB O=C(c1ccccc1)c1ccc2cccc3nc(-c4ccccc4)[nH]c1c23 3098267 MKJNMDYSFDCLRT-UHFFFAOYSA-N 348.405 5.614 0 40 EKAB CCCCCCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 3247533 PFMQUHSZIYBYKE-UHFFFAOYSA-N 347.911 6.400 0 40 EKAB Cn1c(-c2ccccc2)cnc1NCc1cccc(Cl)c1Cl 4678399 CVVAPGYEJRZYQU-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB O=C1c2ccc(cc2)CCCCCCCCCCCc2ccc1cc2 4787948 CIKYUZXTZBROFU-UHFFFAOYSA-N 334.503 6.527 0 40 EKAB On1c(-c2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 6188360 VGAWOKPBOXUGJA-UHFFFAOYSA-N 346.817 5.775 0 40 EKAB CC(C)c1ccccc1NC(=S)Nc1ccc(C(C)(C)C)cc1 6239455 YBEDAHJEDFISJX-UHFFFAOYSA-N 326.509 5.916 0 40 EKAB CCCCCCNCc1cc(Cl)ccc1OCc1ccccc1F 7261001 IDWHVPHENWXDJX-UHFFFAOYSA-N 349.877 5.728 0 40 EKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 9053296 YNKVAPIVNRANJO-CYBMUJFWSA-N 339.439 5.272 0 40 EKAB Cc1ccc([C@@H](C)c2cc(C)c([C@@H](C)c3ccc(C)nc3)cc2C)cn1 13573359 MDBJKYLUAVXIGT-BGYRXZFFSA-N 344.502 6.014 0 40 EKAB OC1=NC(=S)S/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 17147772 INMNXYZGGLVPKJ-SDQBBNPISA-N 339.800 5.068 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1OC(F)(F)F 95917441 KJTHUAOXDVPCEZ-UHFFFAOYSA-N 335.108 5.123 0 40 EKAB CSc1ccc(OCc2coc(-c3ccc(Cl)cc3)n2)cc1 104766366 LHMGJULAIJUNJJ-UHFFFAOYSA-N 331.824 5.296 0 40 EKAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2O1 225766325 FCLZWFUNNMCJSO-QGZVFWFLSA-N 343.854 5.152 0 40 EKAB CC1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OC(=O)C[C@@H]3C[C@]21C 263597837 HFUSQUPYZTVTFP-MPHXLEBDSA-N 328.496 5.271 0 40 EKAB O=C(Nc1ccccc1)N(Cc1cccs1)Cc1cccs1 319249 HMHGUZKICHUKCM-UHFFFAOYSA-N 328.462 5.044 0 40 EKAB C[C@@H](C(=O)Nc1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1 385412 KMNIEGPSFRYXSN-CQSZACIVSA-N 337.369 5.374 0 40 EKAB O=C(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 1402865 QAHGUGWQLNTCRH-UHFFFAOYSA-N 331.651 5.622 0 40 EKAB CC(C)(C)CC(C)(C)c1ccc(OCc2ccccc2Cl)cc1 1572578 OPZANKBCCXSHIK-UHFFFAOYSA-N 330.899 6.633 0 40 EKAB Cc1ccc(C)c2c1c(-c1ccccc1)c(Cc1ccccc1)n2C 1675947 KGYGOCXPTKHGJN-UHFFFAOYSA-N 325.455 6.053 0 40 EKAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C[C@@H](C)CCC=C(C)C 1866190 MKQRUPCSMDQKBM-YWZLYKJASA-N 326.484 5.136 0 40 EKAB CCCCCn1c([C@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 2721363 YACXDFGYBLEDDP-KRWDZBQOSA-N 349.478 5.026 0 40 EKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccco2)N3)C1 4553416 GOAGNGBAMUIQJP-BDJLRTHQSA-N 344.480 5.311 0 40 EKAB CCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 5575330 IECQAFBYAOGQBW-VSZUSUSQSA-N 346.474 5.527 0 40 EKAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 10542390 KJGHVMSLUVQQNK-UHFFFAOYSA-N 349.861 5.370 0 40 EKAB Cc1ccc(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 12999010 QIWIDLFOKBMLFO-OAHLLOKOSA-N 332.856 5.007 0 40 EKAB O=C(Nc1cccc2cccnc12)c1ccccc1Cc1ccccc1 14140461 OMILGIHCLAOOFD-UHFFFAOYSA-N 338.410 5.078 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccc1F 19879381 VYDANKDLUMDGAT-NRFANRHFSA-N 331.394 5.212 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C 20457614 AROHCGJVYUCJBE-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB CCCCOc1ccc([C@@H]2NCC3(CCCC3)c3ccccc32)cc1 22113361 AAEJJAOCCIJMAV-QFIPXVFZSA-N 335.491 5.370 0 40 EKAB Cc1nn2c(Cl)cc(C(C)(C)C)nc2c1-c1ccccc1Cl 27586316 INFICUSPGSQVDP-UHFFFAOYSA-N 334.250 5.309 0 40 EKAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(C)cc1 30869618 IYNWBPKRGBUMPM-UTKZUKDTSA-N 347.458 5.183 0 40 EKAB Cc1cccc(C)c1NC(=O)CS[C@H](C)c1ccccc1Cl 40161382 JLXUZIIBXYTOLM-CQSZACIVSA-N 333.884 5.390 0 40 EKAB CC(=O)c1cccc(Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1 67321716 RVYKOXSKNYOQRR-UHFFFAOYSA-N 336.460 5.682 0 40 EKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2cccnc2)c2ccccc21 102325381 QGRGXWIEOPKEQV-OAQYLSRUSA-N 342.423 5.332 0 40 EKAB C[C@H]1CCCN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 216841364 IKENETOOBLKRDK-AWEZNQCLSA-N 340.854 5.380 0 40 EKAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 222860024 PCOKIYUUFSPALI-OXJNMPFZSA-N 339.479 5.019 0 40 EKAB Cc1cccc([C@@H](NC(=O)Cc2ccc(C)cc2C)c2ccccc2)c1 223009984 KAXXGLCRZFOXBT-DEOSSOPVSA-N 343.470 5.060 0 40 EKAB CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223132563 XWPTVCYLAOTLDB-FQEVSTJZSA-N 341.882 5.029 0 40 EKAB CC(C)(Cc1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 224983912 GZBQTZUXXPJQQW-UHFFFAOYSA-N 343.470 5.034 0 40 EKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225736013 ISPPDYGJEOHZJQ-DYESRHJHSA-N 349.515 5.342 0 40 EKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225736048 WXVDLTPYGDJJNU-NRFANRHFSA-N 349.515 5.200 0 40 EKAB CCOc1ccc(CNc2ccc(C)cc2C)cc1Br 409114293 IUUGMPFIKORYHU-UHFFFAOYSA-N 334.257 5.077 0 40 EKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccco1 2570468 HNNCIRYDHPLEAA-SXLOBPIMSA-N 339.479 5.383 0 40 EKAB Cc1cccc(OCCCCSc2nc3cc(C)ccc3[nH]2)c1 2666052 JEMZTENYXGKZJW-UHFFFAOYSA-N 326.465 5.131 0 40 EKAB CCOc1ccccc1NC(=O)c1ccccc1Oc1ccccc1 5464801 XUYGZDQJWOJFST-UHFFFAOYSA-N 333.387 5.130 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1C[C@H]1c1ccccc1 6340412 YKLITCRCAFFBBO-OALUTQOASA-N 329.399 5.221 0 40 EKAB Cc1cccc(NC(=S)N(C)C(c2ccccc2)c2ccccc2)c1 6865804 PAIUGHYWFBONKS-UHFFFAOYSA-N 346.499 5.413 0 40 EKAB CCCCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 7261245 CYKNFLYFITWXFO-UHFFFAOYSA-N 347.886 5.207 0 40 EKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1 13847330 UYABXFOSRLWZFQ-FQEVSTJZSA-N 349.405 5.289 0 40 EKAB Oc1cccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)c1 17163289 AUZBYOOWARDIRC-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 20039392 JPDLJIHRUZBLKY-KXBFYZLASA-N 345.870 5.011 0 40 EKAB Cc1ccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2)cc1 22053838 IZWOVQSLFLCOMT-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1 30860273 YIEZTYHZOZCKOW-FXAWDEMLSA-N 339.479 5.153 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1Cl 44849176 PPDSBOBCHHIGFQ-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB Cc1cc(C(=O)N(C2CCCC2)C2CCCC2)c2ccc(F)cc2n1 63442477 QIDYOQOVUBQNBC-UHFFFAOYSA-N 340.442 5.010 0 40 EKAB Cc1cc(C)c(-c2nc(-c3ccccc3)sc2CC(=O)O)cc1C 95097117 PBXQTIRWXGKLCY-UHFFFAOYSA-N 337.444 5.029 0 40 EKAB CC(C)[C@H](NC(=O)c1ccccc1)c1noc(-c2cc3sc(N(C)C)nc3s2)n1 97373145 FPAIARUQPJAGOO-UHFFFAOYSA-N 427.555 4.601 0 40 EKAB CCSc1ccccc1NC(=O)CCc1cccc2ccccc12 222676463 CYIWFHWHMCAPMD-UHFFFAOYSA-N 335.472 5.523 0 40 EKAB CCCc1ccc(-c2ccc(-c3cc(F)c(O)c(F)c3)c(F)c2)cc1 575629543 IOCVTIALUVYGJF-UHFFFAOYSA-N 342.360 6.096 0 40 EKAB Cc1cc(OCC(=O)Nc2cccc3ccccc23)cc(C)c1Cl 505195 UKNPNBDIHDMBMN-UHFFFAOYSA-N 339.822 5.128 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1 579502 PXUFTZDPTSVHLP-XNTDXEJSSA-N 349.817 5.784 0 40 EKAB Cc1ccc(Oc2ccccc2NC(=O)COc2ccccc2C)cc1 3335546 ZFZGWJOKKYGPLM-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB CC[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 4666604 SNYQGYWSRDPBOE-LJQANCHMSA-N 331.415 5.611 0 40 EKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccccc3)nc12 4678219 HYRSLNUUJGSEJC-UHFFFAOYSA-N 342.229 5.314 0 40 EKAB O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 4833209 TWEOGXLXSFAKIA-UHFFFAOYSA-N 342.225 5.913 0 40 EKAB O=C(c1ccc(F)cc1)c1sc(Nc2ccccc2)c2c1CCC2 4868183 IYYRBIVVNMSVPT-UHFFFAOYSA-N 337.419 5.351 0 40 EKAB CC(C)(C)c1cc(C(=S)N2CCCCCC2)cc(C(C)(C)C)c1O 9188318 UHLCGYFRGZQZMS-UHFFFAOYSA-N 347.568 5.539 0 40 EKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)C[C@H](C)CC4)C1 12610110 KUJNNBUZCIDGIB-OLZOCXBDSA-N 337.488 5.806 0 40 EKAB S=C(Nc1ccccc1Cl)Nc1ccccc1-c1ccccc1 13841464 AMGMTRPNLZAGQW-UHFFFAOYSA-N 338.863 5.816 0 40 EKAB CC[C@H](C)c1ccccc1O[C@H](CC)CNc1cc(C)cc(C)c1 19737767 YBSGHJULVUNNGA-AZUAARDMSA-N 325.496 6.086 0 40 EKAB CCCC(=O)c1cn(CCOc2ccc(C)c(C)c2)c2ccccc12 33664435 QHYFEVWLTQASKX-UHFFFAOYSA-N 335.447 5.320 0 40 EKAB Cc1ccccc1N(C(=O)c1ccco1)c1nc2ccccc2s1 58401954 FLPSEPTVKZAPHR-UHFFFAOYSA-N 334.400 5.176 0 40 EKAB CCCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1 66351967 CYJOKSKCHPPDMU-UHFFFAOYSA-N 330.531 7.486 0 40 EKAB in-vitro CC(C)(C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 75496693 GIWRLLOYXBTCBR-UHFFFAOYSA-N 331.415 5.395 0 40 EKAB CC[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc(C)cc1C 222678522 VTQVBEKVGPOLHE-HSZRJFAPSA-N 345.486 5.657 0 40 EKAB Cc1cc(C)cc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1 225036901 QIEYPVMOWNOXSX-JOCHJYFZSA-N 346.426 5.045 0 40 EKAB CCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225797835 CUXJUMKIBPBZJE-YCRPNKLZSA-N 343.467 5.161 0 40 EKAB CCOc1ccccc1N=c1[nH]c(-c2ccc(C)c(C)c2)c(C)s1 409043755 AKAVJQSVXPNPBY-UHFFFAOYSA-N 338.476 5.300 0 40 EKAB Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1 191816 BRNBRUQKFMTZCV-UHFFFAOYSA-N 346.499 5.394 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3ccc(Cl)cn23)cc1 427552 JHOKGCSIVYJYKE-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccsc1 537648 IWXYHGHYUJJFOK-HXUWFJFHSA-N 331.444 5.152 0 40 EKAB c1ccc(SCN(CSc2ccccc2)c2ccccc2)cc1 1737788 KUTDEVKFTACSQM-UHFFFAOYSA-N 337.513 5.993 0 40 EKAB Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl 2521610 AUGNBQPSMWGAJE-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB in-vitro Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl 2521612 QGDKRLQRLFUJPP-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2ccccc2c1 3323107 FOKIXITXZIJWJY-SJORKVTESA-N 346.474 5.792 0 40 EKAB c1scc2c1-c1cscc1-c1cscc1-c1cscc1-2 3847065 CBPCBQMVOGRAQT-UHFFFAOYSA-N 328.508 6.914 0 40 EKAB biogenic COc1cc2ccccc2cc1C(=O)Nc1c(C)cccc1C(C)C 5443062 XWNWROGDKQQNHR-UHFFFAOYSA-N 333.431 5.533 0 40 EKAB Clc1cccc(Cl)c1Oc1ncnc2sc3c(c12)CCC3 5938021 HJPMPPRVBSHUMR-UHFFFAOYSA-N 337.231 5.279 0 40 EKAB CCC1(CC)O[C@@H](c2ccccc2OC(C)C)Nc2ccccc21 6659474 RYGSOAUPZPXVPU-FQEVSTJZSA-N 325.452 5.630 0 40 EKAB Cc1ccccc1CNC(=O)c1ccccc1SCc1ccccc1 10331699 VMQIEBGANIBYLO-UHFFFAOYSA-N 347.483 5.217 0 40 EKAB O=C(CCSCc1ccccc1)Nc1c(Cl)cccc1Cl 10502066 ALUPXOUBKJHKGK-UHFFFAOYSA-N 340.275 5.255 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 20452057 CIEPBAUREATPKN-SFHVURJKSA-N 329.443 5.461 0 40 EKAB COc1cccc(CCCc2cc(C(C)(C)C)ccc2C)c1C(=O)O 35973502 YTJSJDFECJSUFO-UHFFFAOYSA-N 340.463 5.175 0 40 EKAB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1Cc1sc(N)nc12 40186699 LDZFZRSSOBEODZ-WOXIIYLRSA-N 330.541 5.172 0 40 EKAB CCOC(=O)c1ccccc1-c1c(OC(C)C)cccc1OC(C)C 43503497 XCAZQBDTWWAAAY-UHFFFAOYSA-N 342.435 5.105 0 40 EKAB Cc1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 45923482 KUPRAJGONFDPEX-UHFFFAOYSA-N 338.657 5.688 0 40 EKAB C[C@]12CC[C@]3(CS3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 118918500 NHSADEZTTCEMTD-OCHQKFOUSA-N 334.569 5.266 0 40 EKAB biogenic CSc1ccccc1C(=O)NCc1ccccc1-c1ccsc1 206825088 FSVGXQDKEJQKNH-UHFFFAOYSA-N 339.485 5.067 0 40 EKAB CC(C)c1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1 222637573 LTHQDYBGEGZHDV-UHFFFAOYSA-N 330.859 5.218 0 40 EKAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C 225665101 BELPRCQQIPJPAA-KKSFZXQISA-N 347.499 5.098 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1 225675356 AFNWGMFPQITXMT-CQSZACIVSA-N 331.843 5.178 0 40 EKAB O=C(Nc1ccccc1F)c1ccc(-c2ccc(F)c(Cl)c2)o1 408625175 XEJYIONZSRFTLB-UHFFFAOYSA-N 333.721 5.131 0 40 EKAB CCCN(CCC)[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 408734500 VJXDUQCTKNKVNH-IBGZPJMESA-N 344.886 5.142 0 40 EKAB CCCC(CCC)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575360327 BTTAIUIITRBUJF-UHFFFAOYSA-N 340.307 6.123 0 40 EKAB CSc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 365348 GAHBNOSJPPOQHT-UHFFFAOYSA-N 347.483 5.569 0 40 EKAB S=C(c1ccc(OCc2cccc3ccccc23)cc1)N1CCCC1 1008343 HRUNNCUJPFPUSE-UHFFFAOYSA-N 347.483 5.190 0 40 EKAB COc1cccc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1 1281074 LNEALHUVMZVLHF-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB CCOC(=O)Nc1cc(-c2ccc(Cl)cc2)nc2ccccc12 1405883 QQUTUJBSXVVETH-UHFFFAOYSA-N 326.783 5.124 0 40 EKAB COC(=O)[C@H]1C(=C(c2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 1707173 SBURSIJKQBMLEA-JTHBVZDNSA-N 340.422 5.075 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 2052445 UFQUDOQTCYZPSW-SFHVURJKSA-N 343.470 5.971 0 40 EKAB CCOc1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 3330119 JRAWQXYLJRIVTB-UHFFFAOYSA-N 331.440 6.029 0 40 EKAB COc1cccc2sc(Nc3nc4ccc(Cl)cc4s3)nc12 4121604 GZGIBSUPYONECE-UHFFFAOYSA-N 347.852 5.312 0 40 EKAB Cc1c2n(c3ccccc13)CC(c1ccccc1)=NN=C2c1ccccc1 4645062 BPQRERUKZOMJNQ-UHFFFAOYSA-N 349.437 5.205 0 40 EKAB Cc1cc(NC(=S)SCc2ccc(Cl)cc2)ccc1F 6484572 JLWCTFDAFHZWCV-UHFFFAOYSA-N 325.861 5.418 0 40 EKAB Cc1ccc(Cl)c(NC(=O)Nc2cccc3ccccc23)c1Cl 6844812 PVCVJOBAWSUMFI-UHFFFAOYSA-N 345.229 6.099 0 40 EKAB CCc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 10337736 TUSMHCLKWWLALO-UHFFFAOYSA-N 343.470 5.087 0 40 EKAB O=C1[C@@H](C2(Cl)CCCCC2)CCC[C@H]1C1(Cl)CCCCC1 13764240 KOEQHYLZXJFOST-GASCZTMLSA-N 331.327 5.855 0 40 EKAB Brc1ccc2nc(-c3ccc4ccccc4c3)sc2c1 38189822 UVPWJFYPQRUDPX-UHFFFAOYSA-N 340.245 5.879 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21C[C@@H]1c1ccc(-c2ccccc2)cc1 51330148 LJGRSEJSOKZMJP-FAYOUJPWSA-N 330.471 5.853 0 40 EKAB Clc1cc(Cl)c2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 73638608 PGQLNMULWGPVMV-UHFFFAOYSA-N 340.209 6.469 0 40 EKAB c1ccc(CSc2nc(-c3ccccc3)oc2-c2cccs2)cc1 96346719 OPWKKLQFWQRRRU-UHFFFAOYSA-N 349.480 6.362 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)cccc1C(C)C 222957421 ZXDITOLRQJHGLY-LJQANCHMSA-N 339.479 5.531 0 40 EKAB Cc1ccc(CSCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223397954 KKVNUIGNYDABLE-SFHVURJKSA-N 341.520 5.031 0 40 EKAB Cc1ccc(C)c(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 224352687 ZDDQRVSXHNBTJB-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CCc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 225312226 DUNBKRFAHDGBBK-HNNXBMFYSA-N 343.426 5.639 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225747571 GJZHRJFRMKEEHN-NRFANRHFSA-N 349.515 5.405 0 40 EKAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)c2ccccc12 225822848 MGWFMAVVIQRWPI-NRFANRHFSA-N 343.467 5.162 0 40 EKAB Fc1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1 409204005 BEHPWZCDAPTNAM-UHFFFAOYSA-N 325.358 5.156 0 40 EKAB CCCCC/C(=C/c1ccccc1)[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 1583878 PPSVGIOXFWDWGG-ONWJUYIZSA-N 330.512 6.074 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1ccc(Cl)cc1Cl 2517771 JGIDZCKHWMPOFT-UHFFFAOYSA-N 331.601 5.601 0 40 EKAB O=C(CSC1CCCCC1)Nc1cccc(Oc2ccccc2)c1 3399020 BGRGWVWCWZZJDB-UHFFFAOYSA-N 341.476 5.483 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)Nc1cccc2ccccc12 4496596 OOGLLEXRAIXQJJ-UHFFFAOYSA-N 341.863 5.614 0 40 EKAB CCOc1ccc(N[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 5845277 MLYZKUWJKRIJSD-HSZRJFAPSA-N 347.458 5.490 0 40 EKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 9141130 BQAZOLLOHSPTCV-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB CC(C)Cc1ccc([C@@H](NC(=O)c2ccoc2)c2cccs2)cc1 9984549 XNFVIWYYJHAJIN-LJQANCHMSA-N 339.460 5.059 0 40 EKAB C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 13774739 DQHDGKVVJKGQNB-ZDUSSCGKSA-N 346.927 5.685 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 20459981 IBRLICOWUXUWLF-LJQANCHMSA-N 343.470 5.271 0 40 EKAB CCCCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 27585960 MBNPDUQMDRTFJY-UHFFFAOYSA-N 342.446 5.275 0 40 EKAB O=C(CCc1ccc(F)c(F)c1)Nc1ccccc1-c1cccs1 31895970 SLZQPKIGJRPTDI-UHFFFAOYSA-N 343.398 5.265 0 40 EKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC 37200372 DOVHRGUKLUIMIX-UHFFFAOYSA-N 346.641 5.276 0 40 EKAB Cc1cc(Nc2cccc(Cl)c2)n2nc(-c3ccccc3)c(C)c2n1 40216607 FPJXSFFHJGBUKB-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB Cc1ccc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)s1 60953434 OWNFGBLFLAKSIO-FQEVSTJZSA-N 343.442 5.408 0 40 EKAB Oc1ccccc1Nc1nc(-c2ccccc2)c2ccc(Cl)cc2n1 75106542 SHRCNULIJJWTKB-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB C[C@H]1CC2=Nc3nc4ccccc4n3[C@@H](c3ccc(F)cc3)C2=C(O)C1 102602533 LIZRWFOXUYWHSR-YUNKPMOVSA-N 347.393 5.093 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3ccc(C(F)(F)F)cc3)nc2c1 199797979 DQNSZPQLURFHJK-UHFFFAOYSA-N 333.353 5.735 0 40 EKAB CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(C)c(C)c1 222838107 XTKQGONOMRWBGE-QFIPXVFZSA-N 347.458 5.103 0 40 EKAB CCc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1 225850230 LWDAWLSVFLGAJG-UHFFFAOYSA-N 338.520 5.313 0 40 EKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1Cc1sc(N)nc12 226128306 LDZFZRSSOBEODZ-RXZJUDABSA-N 330.541 5.172 0 40 EKAB CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)O)cc2[C@@H]2O[C@H](C)CC[C@H]21 257236553 HCRVUCDAXYODQA-DYZHCLJRSA-N 344.451 5.139 0 40 EKAB Cc1ccccc1NC(=O)N[C@H](c1ccsc1)c1cccs1 390826719 OYAQNOAGLNZVBU-MRXNPFEDSA-N 328.462 5.029 0 40 EKAB CCc1ccccc1NC(=O)c1ccc(-c2nc(C)sc2C)cc1 408579669 JIUILLKWOPKIGP-UHFFFAOYSA-N 336.460 5.242 0 40 EKAB CC[C@@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 575357549 KSLNLQSIJIGABJ-JOCHJYFZSA-N 330.427 5.642 0 40 EKAB OCc1ccc(CNc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 630065650 OVNDZQRTCJOWCJ-UHFFFAOYSA-N 339.822 5.237 0 40 EKAB Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C)c1 182629 PTVQQUMPPIDUBM-UHFFFAOYSA-N 329.399 5.180 0 40 EKAB aggregator Cc1ccc(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)c(C)c1 484260 XNCHJRYWUGZZLO-UHFFFAOYSA-N 346.474 5.295 0 40 EKAB Cc1ccccc1N[C@@H](c1ccncc1)c1c(C)[nH]c2ccccc12 506046 TXNMDKBTCLFQRW-QFIPXVFZSA-N 327.431 5.381 0 40 EKAB c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 1238025 SEYPPIDXAJKTCN-UHFFFAOYSA-N 349.484 5.288 0 40 EKAB FC(F)(F)c1nc2ccccc2nc1Sc1ccccc1Cl 1382045 SBTFJARTUNGFKQ-UHFFFAOYSA-N 340.757 5.453 0 40 EKAB O=C(Nc1cccc(Cl)c1)Nc1ccc2oc3c(c2c1)CCCC3 1426256 ULKIUBHMJMYQBL-UHFFFAOYSA-N 340.810 5.609 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cc1cccc2ccccc12 2069633 DGFMEJWQXPAOJU-UHFFFAOYSA-N 345.486 6.268 0 40 EKAB O=C(O)C/C(=C\c1c(Cl)cccc1Cl)c1nc2ccccc2o1 5269494 CNPMIODIAHNJLJ-CSKARUKUSA-N 348.185 5.150 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)C1C2CC3CC(C2)CC1C3 6541774 OZHMBNLREQFIRG-UHFFFAOYSA-N 345.486 5.288 0 40 EKAB CC(C)(C)CC(C)(C)NCc1ccccc1OCc1ccccc1F 6857442 BCQGLTYJJZFIJP-UHFFFAOYSA-N 343.486 5.709 0 40 EKAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1(C)C 8306561 KMEMYQMBOTTYFM-LEWJYISDSA-N 331.459 5.435 0 40 EKAB C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(C(C)(C)C)cc1 10111761 UAAPIZMRDBYNIE-JKSUJKDBSA-N 341.520 5.342 0 40 EKAB CCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 10315565 GTERTOVUUPHGHG-UHFFFAOYSA-N 347.289 5.496 0 40 EKAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 13815161 FELNXHYGVDNTDJ-UHFFFAOYSA-N 345.682 5.133 0 40 EKAB Cc1ccc2nc(-c3cc(NC(=O)C(C)(C)C)ccc3Cl)oc2c1 14257906 LPVCEJISVXSPSD-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1Cl 14258223 UMAYDACAXFWIHY-UHFFFAOYSA-N 343.854 5.405 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccccc1 20111077 MWBNUPRZYNIJJJ-FGZHOGPDSA-N 347.458 5.265 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1 29508758 LDLBUAYNIOQJKP-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCC1=CCCCC1 38755572 VDBHGLTVIUOBNF-FQEVSTJZSA-N 337.463 5.004 0 40 EKAB Cc1ccc(C)c([C@H](C)NCc2csc(Cc3ccccc3)n2)c1 89612036 DZEUSEWGKWGGGP-KRWDZBQOSA-N 336.504 5.202 0 40 EKAB O=C(O)[C@@H](Cc1cccc2ccccc12)Oc1ccc2ccccc2c1 225049362 IXUZAYQYIWXFEP-JOCHJYFZSA-N 342.394 5.068 0 40 EKAB Cc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225339059 NXVGRPXJXYYMBG-CYBMUJFWSA-N 336.262 5.112 0 40 EKAB COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 96052 TYLAVIXBTRSOMX-UHFFFAOYSA-N 326.399 5.419 0 40 EKAB COc1ccc(-c2nc3c(C)cccn3c2Nc2ccccc2C)cc1 427560 ZHEQSJGSIYDWOV-UHFFFAOYSA-N 343.430 5.370 0 40 EKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl 577965 QDZVTECXHOMORF-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2cc1O 578966 CLCPBTPBCGNERE-UHFFFAOYSA-N 347.197 5.209 0 40 EKAB Clc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 1797150 ARBRUEQIJSLLKN-UHFFFAOYSA-N 334.850 5.365 0 40 EKAB biogenic CCCCC(=O)c1c(C)oc(C)c1CP(=O)(OCC)OCC 2324296 LSYJYYWJKYHYMY-UHFFFAOYSA-N 330.361 5.035 0 40 EKAB c1ccc(-c2csc3ncnc(Nc4ccc5c(c4)CCC5)c23)cc1 3299980 UNBRIPPUJBGLSU-UHFFFAOYSA-N 343.455 5.591 0 40 EKAB CC1(C)CC2=C[C@]3(C)CC(C)(C)C[C@]4(C3)Nc3ccccc3C(=C24)C1 4115564 PHBAQGYYSGARNA-DNQXCXABSA-N 333.519 6.581 0 40 EKAB O=C(Nc1cccc2ccccc12)c1ccoc1COc1ccccc1 5032993 JKLBOSKUWYQNJS-UHFFFAOYSA-N 343.382 5.264 0 40 EKAB Cc1ccc(C)c(OC(=O)c2ccc(COc3ccccc3)cc2)c1C 6305493 HWOCUFMDVGUPBS-UHFFFAOYSA-N 346.426 5.410 0 40 EKAB O=C(CSCc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl 7146322 IOMTXTCJPPPVDC-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1(C)C 8306560 KMEMYQMBOTTYFM-NHCUHLMSSA-N 331.459 5.435 0 40 EKAB O=C(CCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 10404748 FIJGIABHFMLWHE-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB S=c1oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 13628379 KWLVRSVWECHIIZ-UHFFFAOYSA-N 326.461 5.679 0 40 EKAB CCO/C(C)=C1\C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21 13776975 ZHSFUUGJHNEJEF-WJDWOHSUSA-N 348.229 5.439 0 40 EKAB Cc1cc(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)on1 36725911 JKTQJCHAHQNROH-UHFFFAOYSA-N 338.432 5.003 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1)c1ccc(C)cc1 59351801 RDDPPIUVUSYFEW-RBUKOAKNSA-N 345.870 5.073 0 40 EKAB Cc1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)c(C)c1 73639740 HSFSIKMJZSUMDS-UHFFFAOYSA-N 344.252 5.998 0 40 EKAB c1ccc(C(c2ccccc2)c2nc3c(ccc4ccccc43)o2)cc1 216763474 HIZLOIPXPKRNLH-UHFFFAOYSA-N 335.406 6.161 0 40 EKAB CCc1ccc(NCc2ccccc2OCc2ccccc2F)cc1 409114565 HKDBDQSAFCPRHQ-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB Cc1ccc(-c2csc(N(C)C(=O)c3ccccc3Cl)n2)cc1 932645 ZOMBCOYVUUHKKU-UHFFFAOYSA-N 342.851 5.049 0 40 EKAB O=C(O)/C(=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 1570040 BKHHENUGTSTIAX-FMQUCBEESA-N 334.802 5.384 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1cccc(Br)c1 1641717 WWNQEVOUGWYVDJ-UHFFFAOYSA-N 337.216 5.347 0 40 EKAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)Oc2ccc(Cl)cc21 1671260 SUCOITMKXZOZJV-HNNXBMFYSA-N 327.594 5.353 0 40 EKAB CC(C)=C[C@H](C(=O)c1ccccc1)[C@H](CC(=O)c1ccccc1)C(C)C 2099915 XVTZCXVAUIOBQU-YADHBBJMSA-N 348.486 5.997 0 40 EKAB biogenic C1=CC2(Oc3ccc4ccccc4c31)c1ccccc1Oc1ccccc12 2273497 PQFYOUIKMMNDBL-UHFFFAOYSA-N 348.401 6.295 0 40 EKAB CCCCC[C@@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2734302 JEBXGQMNQADRHC-XLIONFOSSA-N 341.520 5.605 0 40 EKAB CCNc1nc(CSc2ccccc2)nc2sc(C)c(C)c12 3343178 YXKFUEXBSOOYDZ-UHFFFAOYSA-N 329.494 5.032 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 3347755 SFYDTBZIKFEEQV-QGZVFWFLSA-N 347.414 5.193 0 40 EKAB Cc1ccccc1Nc1nc(Nc2ccccc2C)c2ccccc2n1 5659810 JXZCGLRIDSIQLD-UHFFFAOYSA-N 340.430 5.734 0 40 EKAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1/C=C/c1ccc2ccccc2n1 6912062 MBARATHBYSTJCL-CCEZHUSRSA-N 325.415 5.208 0 40 EKAB Cc1cccc2c(C(=O)N3CCCCCC3)cc(-c3ccccc3)nc12 8471949 RYOCUFPHJQUHPU-UHFFFAOYSA-N 344.458 5.226 0 40 EKAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 14400908 VTBGCJXYZQMLPM-INIZCTEOSA-N 325.452 5.007 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 38752171 YZSQNCPCIHWCHS-SFTDATJTSA-N 339.479 5.056 0 40 EKAB Cc1cc2cc(-c3ccccc3)c(=O)c(-c3ccccc3)cc2cc1C 68603917 VUDXPGSIKDVAGF-UHFFFAOYSA-N 336.434 6.151 0 40 EKAB c1csc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccsc4)=NN23)c1 72314738 WRYCJOOXAGIEIG-QAPCUYQASA-N 338.457 5.052 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)c(C)c1 225478003 TVEUGKGDSWHEHH-MRXNPFEDSA-N 342.508 5.138 0 40 EKAB Clc1ccc(CSc2ncc(-c3ccc(Cl)cc3)cn2)cc1 1397666 VHOSEKYHZBPZOM-UHFFFAOYSA-N 347.270 5.743 0 40 EKAB FC(F)(F)c1ccc(Cl)c(Nc2nc3ccccc3s2)c1 3268247 LOVORZNOYBEBEB-UHFFFAOYSA-N 328.746 5.712 0 40 EKAB CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1ccc(F)c(Cl)c1)(C2)C3 5043934 WWAMRQAIZXZKME-UHFFFAOYSA-N 349.877 5.804 0 40 EKAB Cc1onc(-c2ccccc2)c1C(=O)Oc1ccc2ccccc2c1 6417774 TYFWEIVEQTUNPK-UHFFFAOYSA-N 329.355 5.022 0 40 EKAB Cc1ccc2nc(-c3ccccc3)c(CN3CCCC[C@H]3C)c(O)c2c1 8572604 SKWXTJAZIJGIST-QGZVFWFLSA-N 346.474 5.290 0 40 EKAB CCCCN(CCCC)Cc1c(C)nc2cc(C)cc(C)c2c1O 8717404 NLYQGDXQBDQERU-UHFFFAOYSA-N 328.500 5.268 0 40 EKAB Cc1csc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2C)n1 9341690 XUSAUIYJXVUKGX-IBGZPJMESA-N 333.460 5.116 0 40 EKAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(F)cc1 13325873 HIDHUUAFDQTDFY-UHFFFAOYSA-N 347.846 5.050 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(C)C 13942315 MQNAHZKKUOPUOM-NRFANRHFSA-N 332.447 5.068 0 40 EKAB CC1(C)CC(=O)[C@@H]2[C@H](c3ccccc3)N[C@@H](c3ccccc3)[C@@]2(C)C1 16577684 CIMULNHZAFWYPH-FBPBVXOASA-N 333.475 5.084 0 40 EKAB O=C(c1ccccc1)N(Cc1cccs1)c1cccc(Cl)c1 27662780 GPHRRNHIGAXMCP-UHFFFAOYSA-N 327.836 5.249 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)cc1 30855233 HEMVNWWLKUEZLA-WMJZSHNHSA-N 333.475 5.191 0 40 EKAB Cc1oc(-c2ccccc2)cc1C(=O)Oc1ccc(C(C)(C)C)cc1 59497586 PKZRAKKGQFQIRT-UHFFFAOYSA-N 334.415 5.772 0 40 EKAB COc1ccc(NC(=S)Nc2c(C)cc(C)cc2C)cc1Cl 71761808 CDBISHLAHLTUPC-UHFFFAOYSA-N 334.872 5.083 0 40 EKAB C[C@H](NC(=S)N[C@H](C)c1ccc2ccccc2c1)c1ccccc1 84656631 VAPRIENJIICISE-JKSUJKDBSA-N 334.488 5.126 0 40 EKAB Clc1cc(Cl)cc(Nc2nc3c(s2)CCc2ccccc2-3)c1 103228332 ZDIHEBYCPZJUTC-UHFFFAOYSA-N 347.270 5.959 0 40 EKAB Cc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225807967 WCFRCJKANREVRY-UHFFFAOYSA-N 334.488 5.067 0 40 EKAB CCc1c(C)c2cc3c(-c4ccc(OC)cc4)coc3c(C)c2oc1=O 488716 NZHOVMLEEDKNGJ-UHFFFAOYSA-N 348.398 5.394 0 40 EKAB biogenic CCCCOc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 3022774 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O=C(CCCc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccc(F)c1 84372336 AQASZEZNAJCWHI-LJQANCHMSA-N 345.845 5.166 0 40 EKAB CC(C)NC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118918332 HRROJQJBNRGRQT-KIYFCUGLSA-N 347.587 5.148 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)cc(C)cc1C 222985501 YUSRFUHFXDYREQ-IBGZPJMESA-N 325.452 5.025 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225701337 NZRUWYZECYSOLH-NRFANRHFSA-N 349.515 5.262 0 40 EKAB O=C(c1ccc(Cl)cc1Cl)c1ccc2c3c(cccc13)CC2 226295611 RLSUDYRMTGECGD-UHFFFAOYSA-N 327.210 5.476 0 40 EKAB Cc1ccc(F)cc1NC(=O)CSc1cccc2ccccc12 409179597 SRRDLRRKJQSNKG-UHFFFAOYSA-N 325.408 5.018 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(C)C)c1 128398 PVNROCQZVAQOHQ-UHFFFAOYSA-N 325.452 5.259 0 40 EKAB CSc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 1397854 RSMUEVVDWZBOAM-UHFFFAOYSA-N 337.231 5.432 0 40 EKAB Clc1ccc2c(NC3CCC(N4CCCCC4)CC3)ccnc2c1 1687514 SVJCZPVZDHLIEP-UHFFFAOYSA-N 343.902 5.097 0 40 EKAB in-vitro ClC1(Cl)C(Cl)(Cl)C12c1ccccc1-c1ccccc12 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CCCCCC(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 14258052 PWZFBBJZOIVJRO-UHFFFAOYSA-N 336.435 5.630 0 40 EKAB CCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 14258481 UVWZIHRTKUFNJT-UHFFFAOYSA-N 342.870 5.145 0 40 EKAB CC1(C)N=C(c2cnc3ccccc3c2)c2cccc(F)c2C1(C)C 19873032 GNUDLKJUYSXMNO-UHFFFAOYSA-N 332.422 5.281 0 40 EKAB CC(C)(C)c1ccc(-c2nc3ccc(Br)cc3s2)cc1 73638540 FCBZHYAIINBXEN-UHFFFAOYSA-N 346.293 6.023 0 40 EKAB O=C(O)CC/C(=C/c1cccc(Cl)c1)c1nc2ccccc2s1 96767634 YVJQCMSPKQXEKA-RAXLEYEMSA-N 343.835 5.355 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 225552952 LOBRDYGGRHNFPD-CQSZACIVSA-N 347.911 5.013 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 225729784 IIOJXLUAWWWRCJ-HNNXBMFYSA-N 345.870 5.486 0 40 EKAB CCCO[C@@](C)(CCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225740739 JTJDKYXJMHHJEC-NRFANRHFSA-N 349.515 5.262 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1Cl 409112808 DDBHBELMCIZKDZ-UHFFFAOYSA-N 338.278 6.011 0 40 EKAB CCc1ccc(NCc2ccc(OCc3ccc(C)cc3)cc2)cc1 409117107 NCKDNAFQCZWUHC-UHFFFAOYSA-N 331.459 5.749 0 40 EKAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1 71613 UYLSLRCOOMLSCT-UHFFFAOYSA-N 343.732 5.010 0 40 EKAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1c1ccccc1 309741 MUKIICNBZDWBNF-IBGZPJMESA-N 334.806 5.111 0 40 EKAB CCCCN(CCCC)C[C@H](O)c1cccc2c(Cl)cccc12 1706375 UNDJJQZPUWTBKI-FQEVSTJZSA-N 333.903 5.429 0 40 EKAB Cc1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1 2310389 CBSXXXDYZNOJOF-UHFFFAOYSA-N 328.390 5.858 0 40 EKAB Cc1ccc(NC(=S)Nc2nc(-c3ccccc3)cs2)cc1C 3166739 OKEJGEATVVEPOV-UHFFFAOYSA-N 339.489 5.236 0 40 EKAB Cc1ccc(CC2(OCCN(C)C)CCC(C(C)(C)C)CC2)cc1 3593044 CFWGNVBFLHVDSZ-UHFFFAOYSA-N 331.544 5.091 0 40 EKAB O=C(c1ccccc1)[C@@H]1N=NC[C@H]1c1ccc(-c2ccccc2)cc1 4726298 DAQAQXWQXZLCOB-LEWJYISDSA-N 326.399 5.155 0 40 EKAB CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 6620690 RWGXLTLFHKSBHP-UHFFFAOYSA-N 329.856 5.008 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(C)c2)c2ccccc2)cc1 7558037 AONGCGMOFKTZKU-NRFANRHFSA-N 346.499 5.379 0 40 EKAB Clc1ccc2c(Oc3cccc(Br)c3)ccnc2c1 12547107 FPBNCIDUNHEJPQ-UHFFFAOYSA-N 334.600 5.443 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2ccccc2c1 20112471 LTNRSJPXGLUIEV-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB COc1ccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)cc1Cl 67339819 NQUZHMDMHSMCOS-SOFGYWHQSA-N 341.794 5.055 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 78458113 DKBRLYVKQPJRMW-IAGOWNOFSA-N 347.458 5.047 0 40 EKAB CC(C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 137445489 XAJGHWHHQTZFSB-UHFFFAOYSA-N 345.442 5.079 0 40 EKAB CCCC(=O)N1CCCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 257295721 QZPPBBJZKWKNMS-FQEVSTJZSA-N 340.442 5.050 0 40 EKAB Fc1ccc(COc2ccc(CNc3ccccc3Cl)cc2)cc1 409179260 OFFZKXYTXSUJID-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB C[C@@H](c1ccccc1)n1c(COc2ccccc2)nc2ccccc21 104921 DZGZNQUGWDODBK-KRWDZBQOSA-N 328.415 5.225 0 40 EKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)C(F)(F)F 190821 SVANJIRGXAZUCV-IBGZPJMESA-N 347.380 5.070 0 40 EKAB O=C(Nc1ccc2sccc2c1)c1ccccc1Oc1ccccc1 239980 IDDCUABZDCOWIV-UHFFFAOYSA-N 345.423 5.946 0 40 EKAB CCc1cc(=O)oc2cc3occ(-c4ccc5ccccc5c4)c3cc12 488832 VEPRGUIRLOTUEA-UHFFFAOYSA-N 340.378 5.922 0 40 EKAB biogenic O=C(c1ccccc1)N(c1ccc(Cl)cc1)c1ccccc1Cl 1638371 SNHMESCLOPPRJG-UHFFFAOYSA-N 342.225 5.972 0 40 EKAB Cc1ccccc1NCc1ccc(OCc2ccccc2)c(Cl)c1 2093629 YCKFSHHVSOLJBE-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc2oc(-c3cc(=O)oc4cc5c(cc34)CCCC5)c(C)c2c1 2157927 ORWYEHSHKPSWJH-UHFFFAOYSA-N 344.410 5.702 0 40 EKAB biogenic CCCCCCn1c(=O)c(-c2ccccc2)c(Cl)c2ccccc21 2317301 UCJQGLLTYPKOFW-UHFFFAOYSA-N 339.866 5.902 0 40 EKAB Cc1cccc(CCC(=O)c2ccc(Br)c(F)c2)c1C 2517446 KSWLLTHFDMKKGP-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB Cc1c(SC(F)F)cc(SC(F)F)cc1SC(F)F 3230446 GMEGKNKDBUAAQY-UHFFFAOYSA-N 338.363 5.939 0 40 EKAB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccccc1 3338387 GHUYXWCVJTXSIX-UHFFFAOYSA-N 338.410 5.463 0 40 EKAB c1csc(C2=NN3[C@H](c4ccsc4)Oc4ccccc4[C@H]3C2)c1 4164969 AAZMLKGEERBKRT-QAPCUYQASA-N 338.457 5.052 0 40 EKAB O=C([C@H]1C[C@@H]2CC[C@]13CCCC[C@@H]23)[C@@H]1C[C@@H]2CC[C@]13CCCC[C@H]23 4538269 FHJVXHGAKSPDDK-LTRBKMJWSA-N 326.524 5.769 0 40 EKAB CC(C)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 4666173 BKTYJXCBSOOEDA-UHFFFAOYSA-N 343.470 5.971 0 40 EKAB O=C(Nc1cccc(Cl)c1)OC1CCCCCCCCCCC1 5671196 FKQSIUDMDZLQIM-UHFFFAOYSA-N 337.891 6.562 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccccc1C(C)C 6232105 HKWARAVPPBKWDI-UHFFFAOYSA-N 325.452 5.259 0 40 EKAB Cc1ccc2cccc(OC(=O)Nc3cccc(C(F)(F)F)c3)c2n1 13213470 LCUKLWDEEVOKLV-UHFFFAOYSA-N 346.308 5.173 0 40 EKAB Cc1cccc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)c1C 35681753 BVEPTTSEKIMKML-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB CCC(C)(C)Cc1cnc(CCc2ccc(-c3ccccn3)cc2)[nH]1 49070819 WVAKRQOMAINQPU-UHFFFAOYSA-N 333.479 5.236 0 40 EKAB in-vitro c1ccc2c(c1)CCC[C@@H]2SCc1nc(-c2ccsc2)no1 58432678 XSZDRUOWZHVSFF-HNNXBMFYSA-N 328.462 5.109 0 40 EKAB Cc1cc(NC(=S)Nc2cccc(Cl)c2C)ccc1Cl 71761790 OMDJAUWVCFGTID-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 102651554 LFNACLVQMNCYTI-FQEVSTJZSA-N 329.403 5.016 0 40 EKAB Cc1ccc2ccccc2c1C(=O)c1cccc(Br)c1 160809696 UBCAGRYWIUFCSU-UHFFFAOYSA-N 325.205 5.142 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCCCC)c(C)c1 225624407 AGQDLZALCKMHMW-OAQYLSRUSA-N 349.515 5.406 0 40 EKAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225822876 LMUKOEWLLXJQAC-OAQYLSRUSA-N 343.467 5.161 0 40 EKAB Cc1ccc(COc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 226295214 PBPFLKOZYDOZPQ-UHFFFAOYSA-N 343.426 5.999 0 40 EKAB Fc1ccc(Cl)c(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250465 QSFUMBLZODTTJK-UHFFFAOYSA-N 326.623 5.568 0 40 EKAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1cccc(C)c1 98437 AYFFCUXBLYYFEM-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB CCCCOc1ccccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 1777441 JKBPEODVRBGGIO-NTCAYCPXSA-N 337.463 5.641 0 40 EKAB Cc1cc(C)cc([C@H]2CC(C)(O)C[C@H](c3cc(C)cc(C)c3)S2)c1 3236235 UMRMNCQYUXAYLN-NHCUHLMSSA-N 340.532 5.981 0 40 EKAB C(=C/c1ccc2ccccc2n1)\c1ccc(OCc2ccccc2)cc1 5692844 MPLZFUFOMPPUJT-GXDHUFHOSA-N 337.422 5.984 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 8496144 HGMOAVHBBNWUFT-FQEVSTJZSA-N 325.452 5.134 0 40 EKAB CCCC[C@@H](CC)COC(=O)/C=C\c1ccc(OCCC(C)C)cc1 17326076 IFOXCRJNHMWYCU-KWRJMZDGSA-N 346.511 5.884 0 40 EKAB CCCCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20136693 JAIFHCWOBGOASX-UHFFFAOYSA-N 335.831 5.001 0 40 EKAB CCc1ccc(Cc2nnc(SCc3cccc(Cl)c3)o2)cc1 20197170 SVJKNCOSKPRSEA-UHFFFAOYSA-N 344.867 5.169 0 40 EKAB CCSc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 44885512 ZKEDFSYSDYHDNV-UHFFFAOYSA-N 347.439 5.950 0 40 EKAB Cc1c([C@H](C)OC(=O)Cc2c[nH]c3ccccc23)oc2ccccc12 95392513 QMJYNOKAJNWHEO-AWEZNQCLSA-N 333.387 5.069 0 40 EKAB CCn1c(-c2ccccc2)cs/c1=N\c1cccc(C(F)(F)F)c1 100841000 KKMPTKBRFHRZRR-XLNRJJMWSA-N 348.393 5.488 0 40 EKAB CC(=O)N1c2ccccc2N=C2C[C@@H](C)CC(O)=C2[C@H]1c1ccccc1 102602377 YPFASWIRGYSHAH-JLCFBVMHSA-N 346.430 5.109 0 40 EKAB Cc1ccc2oc(-c3ccc(OCc4ccccc4C)cc3)nc2c1 226294992 YUVSSTYMYITJPG-UHFFFAOYSA-N 329.399 5.691 0 40 EKAB C/C=C1/CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253612249 FGSFYZNXYHDZKI-ANXSVVIMSA-N 344.539 5.907 0 40 EKAB c1ccc(CCN2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)cc1 257308785 TYCBNCLBPHSRGL-DEOSSOPVSA-N 342.486 5.052 0 40 EKAB CC[C@@H](Oc1ccccc1C)c1nnc(C2(c3ccccc3)CCC2)o1 1615586435 NTBWODJAZJFEMP-GOSISDBHSA-N 348.446 5.378 0 40 EKAB O=C(Nc1cccc2ccccc12)N(c1ccccc1)c1ccccc1 220677 XRAPDLHFGPTBQZ-UHFFFAOYSA-N 338.410 6.210 0 40 EKAB Cc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 557493 MVOVSYBYPFWNKY-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CCOc1ccc2oc(=O)c(-c3ccc(Cl)cc3Cl)c(C)c2c1 2576872 IFASIHGJRAJNPO-UHFFFAOYSA-N 349.213 5.474 0 40 EKAB biogenic Cc1c(-c2ccc(F)cc2)nn(C2CCCC2)c1-c1ccc(F)cc1 2733500 MSNADPBTEPQFPJ-UHFFFAOYSA-N 338.401 5.919 0 40 EKAB CCC[C@@H](C(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 3330055 HCBAWFJAUCXNDZ-GOSISDBHSA-N 339.479 5.515 0 40 EKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-c2ccccc2)cc1 5185876 QPSAPNVYGCTKGL-UHFFFAOYSA-N 349.433 5.858 0 40 EKAB Cc1c([C@@H]2[C@@H](CCN)C2(C)C)c2ccccc2n1Cc1ccccc1 5484709 AWKVKJBLCLOXEC-KNQAVFIVSA-N 332.491 5.086 0 40 EKAB Cc1cccc(C)c1NC(=O)/C(=C/c1ccccc1)c1ccccc1 6217611 NGFPQRWXILFSLG-LTGZKZEYSA-N 327.427 5.483 0 40 EKAB C[C@H](Sc1ccc2ccccc2c1)c1nnc(-c2cccs2)o1 6847294 ZFIHFSUPSLHCJP-LBPRGKRZSA-N 338.457 5.805 0 40 EKAB CCC[C@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 6946060 GLVSWOMFRPATBG-JZBMNUFDSA-N 327.855 5.185 0 40 EKAB CCCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 7261613 AFGPKFGETRMJSN-UHFFFAOYSA-N 337.438 5.448 0 40 EKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 13708896 QRKDPIYUABNJNS-MRXNPFEDSA-N 341.410 5.399 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 15867463 FKGIWSDPQGDEJE-UHFFFAOYSA-N 333.431 5.443 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1C 30756780 CDYVBHAVKCNIGV-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3Cl)cc2c1 32854492 DFOBCGMHELGWOO-UHFFFAOYSA-N 345.229 5.411 0 40 EKAB Cc1ccccc1-c1cc2c(SCc3ccc(F)cc3)nccn2n1 38651804 IEEYCSZSWGINMT-UHFFFAOYSA-N 349.434 5.136 0 40 EKAB CCn1c2ccccc2c2cc(/N=C/c3ccc(Cl)cc3)ccc21 39279015 YHWADUWVZDIOOZ-OEAKJJBVSA-N 332.834 6.218 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1Cl 44849172 PPDSBOBCHHIGFQ-CQSZACIVSA-N 331.843 5.178 0 40 EKAB CC(C)(C)c1ccc2oc(Nc3nc4ccc(F)cc4s3)nc2c1 57352978 IYIGLGHGAJECKQ-UHFFFAOYSA-N 341.411 5.618 0 40 EKAB COC(=O)c1c(C)n(C2CCCCC2)c2c1cc(O)c1ccccc12 72422406 COGMHUXAXVRRIJ-UHFFFAOYSA-N 337.419 5.100 0 40 EKAB CC[C@@H](C)[C@@H](CSC(F)(F)F)NCc1ccc(Cl)cc1 95918370 MZLMPCCTCWOSMQ-ZWNOBZJWSA-N 325.827 5.097 0 40 EKAB CSc1ccc(Cl)c(C(=O)N2CCC(C)(C)c3ccccc32)c1 96101193 LWCFGAXOHINJDC-UHFFFAOYSA-N 345.895 5.390 0 40 EKAB C[C@H]1CC2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2=C(O)C1 101885468 UCWKEZUTBRUCLX-YUNKPMOVSA-N 339.435 5.987 0 40 EKAB CC(C)c1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225045512 PVIHZRJFJDGNLB-HXUWFJFHSA-N 340.463 5.182 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)c1 225537872 WZWDIPVSGVPSBE-MRXNPFEDSA-N 342.508 5.138 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225625105 PFRXIJPMBZKZNJ-SFHVURJKSA-N 341.879 5.053 0 40 EKAB Cc1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 408907738 QJAVZRSLGPOXTA-HMMYKYKNSA-N 347.845 5.828 0 40 EKAB Cc1ccc(C(C)(C)C)c(OCOc2cc(C)ccc2C(C)(C)C)c1 2362803754 GVGJFPBQMAINDJ-UHFFFAOYSA-N 340.507 6.314 0 40 EKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1 344912 GZVQHXVBDPJEQU-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB CC(C)CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 367728 ZIAXDCVNBNPGNX-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB CC(C)=C[C@@H]1[C@H](C(=O)SCc2ccc(Cl)cc2Cl)C1(C)C 1665537 DKROSXYTKBNUJH-UKRRQHHQSA-N 343.319 5.992 0 40 EKAB C[C@@H](NCC[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1 2294876 PBCGLNLOJZZAQT-NQIIRXRSSA-N 331.459 5.265 0 40 EKAB Clc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1 4215446 BLNLHAFFGFCSRK-UHFFFAOYSA-N 344.845 5.377 0 40 EKAB in-vitro O=C(Nc1ccc(Br)cc1Cl)c1ccccc1Cl 6260066 DIQZRRGBAILKEB-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1OC 6958169 RIQYNFVRLUHFBQ-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 7558018 HZZYUQPTTVDLSW-OAQYLSRUSA-N 346.499 5.379 0 40 EKAB Cc1ccc(COc2cccc(C(=S)NCc3ccccc3)c2)cc1 9188089 CJIKSHKHZKBAAC-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1ccc(OCc2ccccc2)cc1 14042483 AVSAHTDNVYEGHN-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 20048819 GBKIVGZGLHMPCZ-DEOSSOPVSA-N 343.470 5.142 0 40 EKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1 28231871 SLEBWAYTCUYUGG-UHFFFAOYSA-N 337.419 5.013 0 40 EKAB CCC[C@H]1CC[C@H](C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 100003097 FEWMLRARKGRCCE-RYTJFDOTSA-N 338.457 6.984 0 40 EKAB Cc1ccc(Cl)cc1C[C@H](Sc1ccc(Cl)cc1)C(=O)O 225078364 FQRMSXGSYQQJJZ-HNNXBMFYSA-N 341.259 5.090 0 40 EKAB COc1ccc(Cl)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250305 HJCYIJULNYFZNU-UHFFFAOYSA-N 338.659 5.438 0 40 EKAB Cc1cc(C)cc(Oc2nc(-c3ccccn3)nc3ccccc23)c1 521183 ZSWLKPXOKDBYKI-UHFFFAOYSA-N 327.387 5.101 0 40 EKAB CC(C)Oc1ccc(CCOC(=O)Nc2cccc3ccccc23)cc1 1599987 IWGXXLMWWQRNLF-UHFFFAOYSA-N 349.430 5.418 0 40 EKAB Fc1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 2267412 LSJUXBTWCRMUHH-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB CC1(C)COC(CCCCC(=O)c2ccc(Cl)cc2Cl)OC1 2518143 YWTXTEWIMMQILD-UHFFFAOYSA-N 345.266 5.136 0 40 EKAB CC(C)(C)C1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 2654441 VRSXQUZLCVVBJG-UHFFFAOYSA-N 341.417 5.174 0 40 EKAB O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc(Cl)cc1 4135287 RBABMSYROGBDFX-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB Cc1oc(-c2ccccc2Cl)cc1C(=O)Nc1ccccc1F 5033283 OEKYSUZVJLCTOU-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB O=C(Nc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 6215919 JSDDPHAJHYWOTI-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1cc(C)c(C)c(Cn2c(C(F)(F)F)nc3ccccc32)c1C 6752641 DIEBTOIOOZCNQG-UHFFFAOYSA-N 332.369 5.337 0 40 EKAB Cc1ccc(N(C(=O)C2CCC2)c2nc3ccccc3s2)cc1F 7271411 NMPYLCMDQIENTQ-UHFFFAOYSA-N 340.423 5.209 0 40 EKAB CC(C)C(=O)Nc1ccc(-c2csc(-c3ccsc3)n2)cc1 8102837 FKMVNLOLSUQDQY-UHFFFAOYSA-N 328.462 5.133 0 40 EKAB O=C(CCc1ccco1)Nc1ccccc1-c1nc2ccccc2s1 8231010 IMMANOPWBPCFKT-UHFFFAOYSA-N 348.427 5.128 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1CNCc1ccccc1Cl 8253436 GGIPHUQHAYDQKT-UHFFFAOYSA-N 344.669 5.335 0 40 EKAB Cc1ccc2c(CC(=O)Sc3ccc(Cl)cc3)coc2c1C 8869267 YTMZZMZZJQRFRU-UHFFFAOYSA-N 330.836 5.564 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)C)ccc3o2)cc1Cl 14258079 ZDLXTYVCGDYXTF-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB Clc1cccc2c(Nc3cccc(Br)c3)ccnc12 17149872 AJVCUBRFHQZNTO-UHFFFAOYSA-N 333.616 5.394 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1 20048624 QCZNGBVLHHXLBI-OAQYLSRUSA-N 335.491 5.111 0 40 EKAB Cc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1 21125083 KIRFQHYAASTOCH-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(C)cc1 30869612 IYNWBPKRGBUMPM-DYESRHJHSA-N 347.458 5.183 0 40 EKAB O=C(Nc1ccccc1-c1cccs1)c1ccc(F)cc1Cl 32857926 YBAGMWPYXKDPLB-UHFFFAOYSA-N 331.799 5.460 0 40 EKAB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1Cl 48544539 KXRRZNTWBJANJP-ZRDIBKRKSA-N 337.806 5.560 0 40 EKAB CCCCN1CCCC[C@@H]1c1cccnc1Sc1ccccc1 72217685 KMYYOUIBNRKFPK-LJQANCHMSA-N 326.509 5.560 0 40 EKAB CC(C)(C)[C@H](NCc1csc(-c2cccs2)n1)c1cccs1 84169297 RSAWAJBIGFADCD-OAHLLOKOSA-N 348.562 5.810 0 40 EKAB CCCCc1ccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225128983 QQXUGNJHQKBBMI-OAQYLSRUSA-N 340.463 5.029 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C)c1 225623945 WKWRIQGCIXMDCK-FQEVSTJZSA-N 335.488 5.098 0 40 EKAB Brc1ccc(CSc2cccc3cccnc23)cc1 191551 OBQQGAACVVUDCW-UHFFFAOYSA-N 330.250 5.290 0 40 EKAB CCc1ccc2oc(=O)cc(-c3oc4ccc(Cl)cc4c3C)c2c1 535070 PWKUSGXISYSUCH-UHFFFAOYSA-N 338.790 5.730 0 40 EKAB biogenic CCOC(=S)Sc1c(Cl)c(Cl)nc(Cl)c1Cl 1418795 CCOLNCXNORIDKV-UHFFFAOYSA-N 337.080 5.109 0 40 EKAB CCCCn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 2429530 VBBDQJJUTBHVHA-UHFFFAOYSA-N 336.826 5.100 0 40 EKAB Cc1cc(Cl)ccc1OC(=O)Cc1ccc(Cl)cc1Cl 3249037 PZOHJDCHGXZCNX-UHFFFAOYSA-N 329.610 5.103 0 40 EKAB FC(F)Oc1ccc(-c2csc(NCc3ccccc3)n2)cc1 3337459 VTGOASHTWUMUQN-UHFFFAOYSA-N 332.375 5.024 0 40 EKAB CC[C@@H](OC(=O)c1ccccc1)C(C)(C)/C=C/[C@@H]1CC=C(C)C1(C)C 3852075 YFVLNVDXVHNQCT-QUDYQQOWSA-N 340.507 6.197 0 40 EKAB Cc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1 3885008 FCHQVXKDDJPZPV-DTQAZKPQSA-N 329.399 5.118 0 40 EKAB C[C@@H]1CC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 3999060 MIAAJFLJFWAPKY-VGSWGCGISA-N 330.475 5.019 0 40 EKAB biogenic O=C(c1ccc(F)cc1)c1ccc(OC/C=C/c2ccccc2)cc1 5966152 QEJIWRBCUZGIJO-QPJJXVBHSA-N 332.374 5.149 0 40 EKAB Oc1c2c(nn1-c1ccccc1)-c1ccccc1CC21CCCCC1 5999809 JAXBQZQZUZMWSC-UHFFFAOYSA-N 330.431 5.003 0 40 EKAB Cc1c(C(=O)Nc2ccc3ccccc3n2)oc2c(Cl)cccc12 6589834 HLUKEMCDUYFCJV-UHFFFAOYSA-N 336.778 5.195 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1ccccc1SC(C)C 8040916 AJSHTBULRQQLDB-UHFFFAOYSA-N 327.493 5.871 0 40 EKAB C1=C[C@@H]2C[C@H]1CC21COC(c2ccc3oc4ccccc4c3c2)OC1 8816471 XKPRGYDWDGPTBV-ILKURSCPSA-N 332.399 5.214 0 40 EKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(F)cc1 11594920 RYRHPASYPIVXAL-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 20454269 KULOPNYDSUSLFW-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB Cc1ccc(Nc2c(-c3ccccc3O)nc3ccccn23)cc1Cl 35622051 TVXJAQZNHWFPKJ-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C)cc(C)c1 44841592 OTAPRQJLGBNRBT-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB Cc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccccc2)oc1C 58419668 BGMJSOJQSCTYOG-OAQYLSRUSA-N 332.447 5.296 0 40 EKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc2ccccc12 59477502 KCGUYUUXZTZVQY-JQIJEIRASA-N 339.394 5.752 0 40 EKAB COc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccccc3)C2)c1 100632953 GJCTUHLOHFXGAP-UHFFFAOYSA-N 342.398 5.046 0 40 EKAB biogenic C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1C[C@@H]1CCCO[C@@H]12 118936624 ACQLULLJSPDMFX-PJBNUSSDSA-N 330.512 5.003 0 40 EKAB COc1cccc(OC)c1-c1cccc2c1P(C(C)(C)C)[C@@H](C)O2 202805855 MWVWXQBMRNEOBK-LNHXHEARSA-N 344.391 5.015 0 40 EKAB O=C(NC1CCCCC1)c1ccc(CSCc2ccccc2)cc1 408766358 CGFHYMNZAUYLKZ-UHFFFAOYSA-N 339.504 5.183 0 40 EKAB COc1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1 409111558 JHJMCGPDOZLURZ-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB CCC(=O)Nc1ccc(C)c(NCc2ccsc2C(F)(F)F)c1 529534420 CMCOCIIVTATQIW-UHFFFAOYSA-N 342.386 5.036 0 40 EKAB O=C(Cc1cccs1)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361100 QQTQUSMKOQVDPC-UHFFFAOYSA-N 338.272 5.211 0 40 EKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1Cl 68524 MQTUJZTZDRYIIT-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB CC[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 365380 GTGFBBFWPXKXGC-CYBMUJFWSA-N 341.760 5.491 0 40 EKAB Cc1cc(C)c2c(c1)[C@H](C)CC(C)(C)N2C(=O)NC1CCCCC1 1461475 LRXKICGLRMSCQZ-MRXNPFEDSA-N 328.500 5.438 0 40 EKAB Cc1[nH]c2ccccc2c1C1=C[C@]2(C)Nc3ccccc3[C@H]2C(C)(C)C1 1669600 RDLLJFOTJJUYFF-UPVQGACJSA-N 342.486 6.258 0 40 EKAB CC[C@@]1(C)c2ccccc2N(C)[C@]12C=Cc1c(ccc3ccccc13)O2 2287159 JBFSZZLFGMSOOS-ZEQRLZLVSA-N 341.454 5.759 0 40 EKAB O=C(CNc1ccc2ccccc2c1)Nc1cc(Cl)ccc1Cl 3398604 BPWANHGFWAZQTA-UHFFFAOYSA-N 345.229 5.197 0 40 EKAB Cn1c(-c2ccccc2)cc2c1[C@H](c1ccccc1)Oc1ccccc1-2 4481282 MXMZRPXVOCDAII-DEOSSOPVSA-N 337.422 5.841 0 40 EKAB Cc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)c(Cl)c1 5404217 KISIKHLDAMPIHT-UHFFFAOYSA-N 348.880 5.394 0 40 EKAB CCCCCN(CCCCC)CC[C@@H](O)c1cccc2ccccc12 5973195 RYCGPGIFKVZHKQ-HSZRJFAPSA-N 341.539 5.946 0 40 EKAB CC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 6284600 HNUJHGFUVHULTO-UHFFFAOYSA-N 336.262 5.221 0 40 EKAB CCOc1ccc(Nc2ncnc3sc4c(c23)CCCCC4)cc1 6832085 FPWXGHJREGRSSZ-UHFFFAOYSA-N 339.464 5.103 0 40 EKAB CC(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 12401761 GXZDAOCTWWFICQ-UHFFFAOYSA-N 328.843 5.282 0 40 EKAB CCc1cccc(C)c1NC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13095994 UHCSINFBRBWXEZ-JNKARSBBSA-N 331.887 5.074 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12 30751577 WUMJQFSDAHIQNI-IBGZPJMESA-N 339.822 5.289 0 40 EKAB CC[C@H](C)c1ccccc1Oc1nc2ccccc2nc1N1CCCC1 45900733 IGDDLFPLIIMKOJ-INIZCTEOSA-N 347.462 5.536 0 40 EKAB Cc1ccc2nc(-c3ccc(Cl)cc3Br)oc2c1C 73638146 GVHKDIWOZVQRKO-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB CCCCCCOc1ccc(C(=O)c2ccnc3ccccc23)cc1 83328506 IBTWTUMUWBXFJT-UHFFFAOYSA-N 333.431 5.425 0 40 EKAB COc1ccc(Cl)cc1N(C(=O)OC(C)(C)C)c1cc(C)ccn1 199720663 XIWPVYVOMLXTCX-UHFFFAOYSA-N 348.830 5.125 0 40 EKAB Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(Cl)c1 225001164 BUCQOEQVWDBWKC-CQSZACIVSA-N 329.871 5.437 0 40 EKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(C)c(C)cc2C)cc1 225646887 SCKRGSCJCWJAQZ-OAQYLSRUSA-N 339.479 5.138 0 40 EKAB Cc1ccc(COc2ccccc2CNc2cccc(C)c2C)cc1 409115815 KVWQNCAVOPTVCX-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB Cc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1 550599 VWBSFORSYMWEHW-UHFFFAOYSA-N 340.430 5.294 0 40 EKAB CC(C)n1c(-c2cccnc2Cl)nc2cc(C(F)(F)F)ccc21 1403047 UYQHAOKJCOJPLG-UHFFFAOYSA-N 339.748 5.351 0 40 EKAB CCOC1(OCC)[C@@H](C)[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C 1719732 CDDIJTDHKUJMOI-UDKICSLYSA-N 338.491 5.609 0 40 EKAB CCCCC[C@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2734301 JEBXGQMNQADRHC-FXAWDEMLSA-N 341.520 5.605 0 40 EKAB Cc1[nH]c2ccc(C(=O)OCc3cccc(C(F)(F)F)c3)cc2c1C 3435159 TTZGGEQYNIMYKH-UHFFFAOYSA-N 347.336 5.161 0 40 EKAB Cc1cc(C)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)c1 6151955 RLNKGXFMIKIWJI-UHFFFAOYSA-N 331.843 5.061 0 40 EKAB Fc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)c(F)c1 6561511 MPNODRBPBMOGBJ-UHFFFAOYSA-N 339.370 5.380 0 40 EKAB COCc1cccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 7667090 MXVXCVRRMJZUTM-UHFFFAOYSA-N 325.452 5.332 0 40 EKAB O=C(Nc1ccccc1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 11689794 AFVAIFLJFFYZHA-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB S=c1nc(-c2ccc(Cl)cc2)[nH]c2sc3c(c12)CCCC3 13534530 XHSMEZIJLJILKB-UHFFFAOYSA-N 332.881 5.553 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CCSCc1ccccc1 13688102 QBOZRRBTPNOOGT-UHFFFAOYSA-N 327.493 5.380 0 40 EKAB Cc1cc(C)c(NC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c1 13788903 NYWFUQNNQKHWIU-UHFFFAOYSA-N 338.398 5.440 0 40 EKAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 14400905 VTBGCJXYZQMLPM-MRXNPFEDSA-N 325.452 5.007 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1cccc(F)c1 19879362 FLKMWFWTSZVEMZ-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1 22513111 BMFWGOIUPMYZMG-YJBOKZPZSA-N 345.870 5.011 0 40 EKAB CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(C)cc1 22514565 VNVJJCQNXSPSGJ-IBGZPJMESA-N 327.493 5.053 0 40 EKAB O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H]1c1cccs1 29797149 LXQXGOFXFBRWGG-AWEZNQCLSA-N 331.506 5.056 0 40 EKAB C[C@H](SCCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 32778758 ZGINWICISZGPCA-LBPRGKRZSA-N 337.847 5.302 0 40 EKAB COc1ccc2oc(C)c(C(=O)Nc3cccc4ccccc34)c2c1 41156451 QXPRMLWELOJSIQ-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB Cc1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 66012467 NXMMWWYTDDCJEV-INIZCTEOSA-N 326.509 5.038 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 80345022 GRDONPYYNWNOEV-JKSUJKDBSA-N 334.246 5.352 0 40 EKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914671 IECWTSWUVZMVIW-VVVZRFTHSA-N 344.583 6.220 0 40 EKAB Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224263619 LAWCNHVZJPYSJV-UHFFFAOYSA-N 345.398 5.220 0 40 EKAB Cc1ccccc1[C@@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225362925 IZACPAASLFTLRK-CYBMUJFWSA-N 336.262 5.112 0 40 EKAB O=C1S/C(=C/c2ccc(Cl)s2)C(=O)N1CC1CCCCC1 409131780 JUIJQUAOJNPCQD-XYOKQWHBSA-N 341.885 5.018 0 40 EKAB CCCCc1ccc(-n2c(C(C)(C)C)nc3ccccc3c2=O)cc1 2534616 MRVNJUMAZDEEMH-UHFFFAOYSA-N 334.463 5.026 0 40 EKAB O=C(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCCCC1 5513448 YEGXQAXHBJNOFQ-UHFFFAOYSA-N 348.273 5.138 0 40 EKAB Cc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 6550816 ZUJLRUQWQSDORC-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccccc1Cl 8325942 SFWPQEVIBSKKPW-CYBMUJFWSA-N 338.278 5.461 0 40 EKAB CC(C)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 12401760 OXBFWTBGBWKCEU-UHFFFAOYSA-N 342.870 5.672 0 40 EKAB CCSc1nc(-c2ccccc2)c(NC(=O)CC2CCCC2)s1 12890869 YTJRKPFLWUNBKC-UHFFFAOYSA-N 346.521 5.441 0 40 EKAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)c(C)c1 28250092 XQCZVSWBAQMUCO-UHFFFAOYSA-N 344.208 5.064 0 40 EKAB Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)c(Cl)c1)C=CO2 33026937 NROKLXVEUJBRLB-UHFFFAOYSA-N 346.213 5.230 0 40 EKAB CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](CC)c1ccc([N+](=O)[O-])cc1 37625935 ZNSZYNXUMJNBMA-QZTJIDSGSA-N 328.368 5.190 0 40 EKAB CCc1cccc2c(-c3csc(Cc4csc(C)n4)n3)c[nH]c12 48290209 PHVADMBAFAVJBH-UHFFFAOYSA-N 339.489 5.210 0 40 EKAB Cc1cccc(Cl)c1NC(=S)Nc1ccc(C(F)(F)F)cc1 71761881 AYZRCQOQQCICKV-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 222980318 JSTAEWDLCOYWRG-GOSISDBHSA-N 331.843 5.061 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225700721 WCNZYLUYAVHGSH-NRFANRHFSA-N 347.499 5.240 0 40 EKAB Clc1ccc(-c2ccc(CNc3ccc4ccccc4c3)o2)cc1 226240134 UECPCQLRBCAQQG-UHFFFAOYSA-N 333.818 6.365 0 40 EKAB CC[C@H](C(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1 382640840 NPQMKZOMMHGKGC-ZDUSSCGKSA-N 326.745 5.735 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1OCC 408532682 OOIFUGOPYDCKBW-UHFFFAOYSA-N 341.451 5.079 0 40 EKAB Cc1cccc(NCc2ccccc2OCc2cccc(Cl)c2)c1 409121171 WUJLCGKQXPRZHE-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2n1 326427 BGUGDOBWOYJMIV-UHFFFAOYSA-N 332.186 5.069 0 40 EKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(C)o2)cc1 344920 GEXYZBDUNJKDEV-UHFFFAOYSA-N 332.447 5.230 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)c(C)c1 567856 UKDDRDIDLHSOSU-UHFFFAOYSA-N 336.460 5.296 0 40 EKAB CC(C)(C)c1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1 3312908 ORGKMTVOBFUQSA-UHFFFAOYSA-N 337.246 5.648 0 40 EKAB Fc1cccc(Cl)c1Cn1c(-c2ccco2)nc2ccccc21 4748989 HGWVDVPLFPNVNE-UHFFFAOYSA-N 326.758 5.137 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1C 5547022 WLWOPXXGCCHIDF-UHFFFAOYSA-N 329.443 5.341 0 40 EKAB Cc1ccc(-c2nc(COC(=O)c3cc(C)ccc3C)cs2)cc1 5607303 DKGNQVIBLQNKTR-UHFFFAOYSA-N 337.444 5.092 0 40 EKAB C(=C/c1ccccc1)\CSc1nnc(-c2c[nH]c3ccccc23)o1 8187712 GDNSGPTYUHYRJH-RMKNXTFCSA-N 333.416 5.023 0 40 EKAB Cc1cc(OCCNc2ccccc2OCC(C)C)ccc1Cl 19738295 WWCOFKJSZPHYOH-UHFFFAOYSA-N 333.859 5.174 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C)c(Cl)c1 22515081 HAZRLMYZPZQUDI-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl 40913228 QBQMPGMGIMHDBH-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1c(Cl)cccc1Nc1nc(-c2ccccc2Cl)cs1 67321756 VPLZKSPGHPPVOB-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB CCOCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1 95462182 JIPMGMVUQDQLPY-QGZVFWFLSA-N 335.447 5.063 0 40 EKAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccco1)c1ccccc1 223429702 WXNOSZHWENBZOK-FABDANFUSA-N 325.452 5.153 0 40 EKAB C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 224267301 YDVFZVGBWVWJGB-CQSZACIVSA-N 329.871 5.057 0 40 EKAB CC[C@@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1 225663209 BFNATHKMIHCOPZ-LJQANCHMSA-N 325.452 5.008 0 40 EKAB CCOc1ccccc1NC(=S)N[C@H](c1ccccc1C)C(C)C 225760201 ZJHRDLZPIIAKFW-IBGZPJMESA-N 342.508 5.077 0 40 EKAB Cc1cccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)c1 409121508 XNMIYUSCIJGNIC-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc(-c2cccc([C@@]3(C)C[C@H]3C(=O)O)c2)cc1C(F)(F)F 1615058108 LMRHHFBBVXBHIW-FUHWJXTLSA-N 334.337 5.043 0 40 EKAB CCOC(=O)CSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 54910 KSHFPOHZDTUOAV-UHFFFAOYSA-N 345.851 5.144 0 40 EKAB CCOc1cccc2cc(-c3cc(=O)oc4cc(C)c(C)cc34)oc12 491142 NKVNUGWGRSRNTO-UHFFFAOYSA-N 334.371 5.222 0 40 EKAB biogenic COc1ccc(-c2nc(Nc3cccc4ccccc34)sc2C)cc1 574124 HJLKYZMOEKWDDU-UHFFFAOYSA-N 346.455 6.024 0 40 EKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1CC 949549 QWOQPBJTMIENLX-UHFFFAOYSA-N 334.419 5.026 0 40 EKAB CC(C)Oc1ccc(-c2nc(NC3CCCC3)c3ccccc3n2)cc1 2224544 KRPXMCZPAZCRPZ-UHFFFAOYSA-N 347.462 5.439 0 40 EKAB CCCCSc1nsc2sc(C(=O)c3ccccc3)c(N)c12 3669421 FBTGJVMMIBGEGO-UHFFFAOYSA-N 348.518 5.063 0 40 EKAB Cc1ccc(-c2ccc(SCc3ccc(Cl)cc3)nn2)cc1 4356102 KDBYLIIIFCVLPK-UHFFFAOYSA-N 326.852 5.398 0 40 EKAB Cc1[nH]c2cc3c(-c4ccccc4)cc(-c4ccccc4)nc3cc2c1C 4575129 FCBKWWOPBFCOOM-UHFFFAOYSA-N 348.449 6.667 0 40 EKAB COc1ccccc1Cn1c(/C=C/c2ccccc2)nc2ccccc21 5219575 DQBPPHRWHSJYNI-FOCLMDBBSA-N 340.426 5.264 0 40 EKAB aggregator Clc1ccc(-c2csc3nnc(-c4ccccc4)n23)cc1Cl 6229432 QQGXDJKLPWNDEI-UHFFFAOYSA-N 346.242 5.432 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 6941112 BSFARPUALJAXSC-LBPRGKRZSA-N 347.842 5.123 0 40 EKAB Cc1csc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1 7195503 WPZOXZAWLNLONR-KRWDZBQOSA-N 325.458 5.168 0 40 EKAB CC(C)(C)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 7264440 VCUVEXZLOLVZQL-UHFFFAOYSA-N 335.369 5.184 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1C 13930861 YMOOVQYOKSPGLU-LBPRGKRZSA-N 336.863 5.144 0 40 EKAB CCCCOc1cccc(NC[C@@H](C)Oc2ccc(CC)cc2)c1 19738350 NROLOBIWWGNQPC-QGZVFWFLSA-N 327.468 5.307 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1 27584517 SSXREXXJPPHHLB-UHFFFAOYSA-N 325.408 5.043 0 40 EKAB Fc1cccc(Nc2nc3ccccc3nc2Nc2cccc(F)c2)c1 32647149 CEXAKFZHUUXUTC-UHFFFAOYSA-N 348.356 5.395 0 40 EKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2ccco2)c2ccccc21 100089092 QDONBTCJCBGXAN-FQEVSTJZSA-N 331.396 5.530 0 40 EKAB aggregator CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 216393016 LIODGEIFPWSFHC-LJQANCHMSA-N 339.479 5.224 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OC)c(C)c1 225653095 FXURZVAKRSZSMR-FQEVSTJZSA-N 335.488 5.016 0 40 EKAB O=C(NCc1cc(-c2ccsc2)cs1)Nc1ccccc1Cl 1775971386 JFKRUXNMEJOWPU-UHFFFAOYSA-N 348.880 5.452 0 40 EKAB COc1cc(C=O)ccc1OCc1c(Cl)ccc(Cl)c1Cl 151826 IXFWQNOGEMAAAP-UHFFFAOYSA-N 345.609 5.047 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1F)c1ccncc1 506026 WLZSEUHUUXHKAQ-NRFANRHFSA-N 331.394 5.212 0 40 EKAB Fc1ccccc1NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 3358995 LJDDGHBRIUWKHD-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB Cc1ccc(Nc2nc(CSc3ccc(C)cc3C)cs2)cc1 3439675 JCYXGKOOTAALDB-UHFFFAOYSA-N 340.517 6.104 0 40 EKAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 6357520 NTERVHGVZLFMGI-FQEVSTJZSA-N 347.414 5.275 0 40 EKAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc2ccccc2c1 14424692 YLFAGUDSKURHIS-CYBMUJFWSA-N 343.348 5.350 0 40 EKAB Cc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 17067809 YMEBJDUJFQLXEE-UHFFFAOYSA-N 330.431 5.229 0 40 EKAB CC(C)CCOc1cccc(CNc2ccc(Cl)cc2Cl)c1 19737890 IJBXPIYQXZEZOL-UHFFFAOYSA-N 338.278 6.030 0 40 EKAB CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1 23323618 LOIWFNPPBZVXLG-UHFFFAOYSA-N 343.785 5.406 0 40 EKAB Cc1c(C(=O)N2CCC[C@H]2c2cccs2)sc2ccccc12 24831873 DBYWSNPTRDRIEZ-AWEZNQCLSA-N 327.474 5.249 0 40 EKAB O=C(Nc1nc(C2CC2)cs1)c1sc2ccccc2c1Cl 25560795 LRTBMGONOFJEIC-UHFFFAOYSA-N 334.853 5.141 0 40 EKAB CCc1ccc(C(=O)c2cc3cc(Br)ccc3o2)s1 69696812 QITCRWIWJXPVTE-UHFFFAOYSA-N 335.222 5.050 0 40 EKAB C[C@H](Sc1nnc2sc3ccccc3n12)c1c(F)cccc1F 84647355 UTUYRTIOQSIKLM-VIFPVBQESA-N 347.415 5.076 0 40 EKAB CCc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 100016874 GSHYKUCPTGRELW-NXQKYAITSA-N 347.458 5.244 0 40 EKAB Cc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1Cl 225079823 AWWGVRKAFNMCHN-GOSISDBHSA-N 346.854 5.021 0 40 EKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCC(C)CC1 225667953 RLAGCXPGCWKQLQ-BQIYRTECSA-N 347.499 5.178 0 40 EKAB CC(C)c1ccc2oc(-c3ccc[n+](Cc4ccccc4F)c3)nc2c1 226307993 UNXBCITVMGVNLY-UHFFFAOYSA-N 347.413 5.093 0 40 EKAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 408574389 HWJPSRPQLVHKGO-CYBMUJFWSA-N 349.883 5.247 0 40 EKAB CC(C)c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 69824 WDLUSFWHIRLPSG-UHFFFAOYSA-N 338.451 5.047 0 40 EKAB CCc1cc(=O)oc2cc(C)c3c(-c4ccc(Cl)cc4)coc3c12 95443 FOPLKRPODVZNOZ-UHFFFAOYSA-N 338.790 5.730 0 40 EKAB biogenic CC(C)COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 482383 YIAOFARGBAWUPY-UHFFFAOYSA-N 339.822 5.368 0 40 EKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)c1 547083 MGINDUBSZAIWJG-UHFFFAOYSA-N 348.837 5.415 0 40 EKAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 994523 FMYKTQVSKVFIJH-KPKJPENVSA-N 343.854 5.298 0 40 EKAB O=C(O[C@@H](c1ccccc1)c1ccc2ccccc2n1)c1ccccc1 1621995 FUHJKUSVHGVBQS-QFIPXVFZSA-N 339.394 5.181 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(C)C)c(C)c1 1913884 LKLJUZYMPAZZPR-UHFFFAOYSA-N 325.452 5.225 0 40 EKAB CC[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C(C)=O 4025557 MXMFBDWUIIDGDY-XSWMNLFPSA-N 342.523 5.360 0 40 EKAB biogenic FC(F)(F)c1cccc(CNCc2cccc(C(F)(F)F)c2)c1 4218220 SHPHDCSCFBKTES-UHFFFAOYSA-N 333.275 5.014 0 40 EKAB CCCCOCN(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC 4416561 RWDHUSBRENEAAI-SFTDATJTSA-N 327.597 6.495 0 40 EKAB CC(C)=CCC1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 8385029 QXGWJDFVUCDFBX-UHFFFAOYSA-N 336.478 6.905 0 40 EKAB c1ccc(-c2cc(-c3cccs3)c3c4c(sc3n2)CCCC4)cc1 12610272 NWQBSLQFJMMLPR-UHFFFAOYSA-N 347.508 6.571 0 40 EKAB Cc1ccc(CO[C@@H]2C[C@@H](C)S[C@@H]3C=CC(Cl)=C[C@H]23)c(C)c1 12954239 GOYSMGSBVGBIAH-UTRMSSBJSA-N 334.912 5.391 0 40 EKAB Cc1c(Cl)cccc1Nc1c(-c2ccc(O)cc2)nc2ccccn12 35616529 TVDQOBMPPXPHFI-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB Nc1c(Cl)cc(Cl)cc1-c1nc2c(Cl)cccc2s1 45920762 BKTDWYIYYLBXHD-UHFFFAOYSA-N 329.639 5.506 0 40 EKAB CCc1cccc(C)c1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 67339267 ASKSBORYUVPMDG-CSKARUKUSA-N 339.822 5.609 0 40 EKAB Brc1cccc2c(-c3nc4ccccc4s3)cccc12 73639174 WTZAYMOMQPINFJ-UHFFFAOYSA-N 340.245 5.879 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)c(C)c1 113951642 UQHRGGNVPFZPHK-NRFANRHFSA-N 333.431 5.253 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)COc1cccc2c1CCCC2 223157807 CTRLCXQFRHCISK-UHFFFAOYSA-N 337.463 5.015 0 40 EKAB C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 225436966 NTIXTCYSHINSGK-AWEZNQCLSA-N 329.871 5.057 0 40 EKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(C)c1 71912 HXIQEXALCYFXNZ-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB Fc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 302532 WNRMKDGPIGNNNA-UHFFFAOYSA-N 344.393 5.125 0 40 EKAB O=C(Nc1ccc(F)cc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 335392 BKIHKKDKBWSJQN-ATKRNPRHSA-N 343.401 5.062 0 40 EKAB COc1ccc(-c2sc3cc(OC)ccc3c2Br)cc1 385625 UMSZQHJDTPXYLU-UHFFFAOYSA-N 349.249 5.348 0 40 EKAB CC(C)CC[C@@]1(CCN[C@@H](C)c2cccs2)CCOC(C)(C)C1 2450227 NUYURMBOCIDFQI-FXAWDEMLSA-N 337.573 5.800 0 40 EKAB c1cc(C2CCCCC2)ccc1-c1csc(NC2CCCC2)n1 3360101 KQWRUPLGCQVROB-UHFFFAOYSA-N 326.509 6.212 0 40 EKAB Cc1oc2c(C)c3oc(=O)c(C(C)C)c(C)c3cc2c1-c1ccccc1 5235597 YDTRAIOTZBFXSD-UHFFFAOYSA-N 346.426 6.255 0 40 EKAB CC(C)Oc1c(Cl)c(Cl)c(OC(C)C)c(Cl)c1Cl 5381394 SPJDUBPMHKVHBL-UHFFFAOYSA-N 332.054 5.875 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21 6229559 MNTGZYJYCDMSFD-MRXNPFEDSA-N 335.234 5.193 0 40 EKAB CCCCN(C)Cc1c(-c2ccccc2)nc2ccc(C)cc2c1O 8572493 BSILPEPYIBGTGY-UHFFFAOYSA-N 334.463 5.148 0 40 EKAB Cc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 9063964 CFYZPAKXWAZWCZ-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB C=Cc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 16842543 WVBMABNXCHFOHA-UHFFFAOYSA-N 343.455 5.332 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 20460426 BULRYWSCAYPZKS-SFHVURJKSA-N 345.895 5.190 0 40 EKAB S=c1nc(Nc2ccc(Oc3ccccc3)cc2)c2ccccc2[nH]1 20646053 MIXZSVJGEIFPLG-UHFFFAOYSA-N 345.427 5.828 0 40 EKAB Cc1ccc(N2C(=O)c3ccccc3S[C@@H]2c2ccc(F)cc2)cc1 26507554 HGKPIUCEALLRSC-OAQYLSRUSA-N 349.430 5.585 0 40 EKAB CCCCc1ccc(NC(=O)C2CCCCC2)c(Br)c1 28284633 COJSGQKOGNMCFH-UHFFFAOYSA-N 338.289 5.311 0 40 EKAB CN(Cc1cccs1)C(=O)/C=C/c1sc2ccccc2c1Cl 31524184 CDIVGFLYUILQJZ-CMDGGOBGSA-N 347.892 5.288 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 69441083 MJXBEALCCAKSCJ-PZJWPPBQSA-N 348.490 5.321 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)c(C)c1 225866471 CMOVOCJDPKUBLJ-QHCPKHFHSA-N 343.470 5.440 0 40 EKAB O[C@H](c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2 226296861 KNSJHROVXCUFJK-FQEVSTJZSA-N 341.237 5.646 0 40 EKAB O=c1c(-c2ccccc2)coc2cc(OCc3ccccc3)ccc12 101462 SONUPOLJPZNSOW-UHFFFAOYSA-N 328.367 5.039 0 40 EKAB biogenic O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(F)cc1 137437 RRVOSQKUUSNLOL-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB c1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)cc1 843509 UOTQDGKBBGWTJH-PTGBLXJZSA-N 341.366 5.061 0 40 EKAB CCC1(C[C@@H]2CCCN(C)C2)c2ccccc2Sc2ccccc21 1713962 DNNSAMRVVMKCTM-KRWDZBQOSA-N 337.532 5.579 0 40 EKAB CC(C)c1cccc(C(C)C)c1OCC(C)(C)CN1CCCCC1 1734054 DMGLQPFCBFNNSC-UHFFFAOYSA-N 331.544 5.824 0 40 EKAB CCCN(CCC)C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C 2250178 DLDZDANBESWWAU-HXUWFJFHSA-N 333.516 5.252 0 40 EKAB COc1ccc(C2=NC[C@H](CSc3ccc(Cl)cc3)S2)cc1 2638234 ZIAIBNJDMRXCSH-MRXNPFEDSA-N 349.908 5.003 0 40 EKAB Cc1cc(C(C)(c2ccccc2)c2cc(C)c(O)c(C)c2)cc(C)c1O 4159478 BUGLKPUHRTVBDI-UHFFFAOYSA-N 346.470 5.686 0 40 EKAB CC[C@@H](C)Sc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5307487 NEPASDGGXNXOFY-GFCCVEGCSA-N 345.899 5.557 0 40 EKAB CC1(C)C2=C[C@]3(C)N(CN2c2ccccc21)c1ccccc1C3(C)C 5488135 QQMLUCLEPLMHRD-QHCPKHFHSA-N 330.475 5.196 0 40 EKAB Cc1nc2ncc(-c3ccccc3)c-2c(Nc2c(C)cccc2C)[nH]1 5579640 XIJXAVDJWBKUCW-UHFFFAOYSA-N 328.419 5.245 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 5951240 RPXZCVSDFOZDGV-UHFFFAOYSA-N 347.458 6.051 0 40 EKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(Cl)cc1 6152923 SAUSGTYUVUGUJR-UHFFFAOYSA-N 335.790 5.421 0 40 EKAB c1ccc(-c2cnc(COc3ccccc3-c3ccccc3)o2)cc1 6558309 JSCSHCHOTPQHKJ-UHFFFAOYSA-N 327.383 5.588 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1F 6789694 HVKSKUPQSWNNRW-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB CCc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1cccs1)=N2 6844081 VLOKGWCWZWNGMV-UHFFFAOYSA-N 345.471 5.053 0 40 EKAB Cc1ccc(Sc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 7159368 WWTNRSBEHUDTPP-UHFFFAOYSA-N 342.467 6.065 0 40 EKAB Cc1ccc(-c2cc(-c3cccs3)nc3sc4c(c23)CCC4)cc1 7847765 UTRDLYAHHGAEGP-UHFFFAOYSA-N 347.508 6.489 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccsc2)cc1 12803037 MVYUQZGJJSJJGB-UHFFFAOYSA-N 339.416 5.191 0 40 EKAB Cc1cc(C)cc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1 13841071 NRYZFJDPQFPECV-UHFFFAOYSA-N 340.536 6.359 0 40 EKAB CCCCCCNc1ncnc2scc(-c3ccc(Cl)cc3)c12 21524327 OKPAAFHMWCIFAB-UHFFFAOYSA-N 345.899 6.004 0 40 EKAB CC(C)c1ccc(-c2nc(C(=O)N3CCc4ccccc43)cs2)cc1 24831209 VLUZKBGISXDACZ-UHFFFAOYSA-N 348.471 5.136 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cc(C)ccc1C 38755434 GZTZGRKHCVNIIO-IBGZPJMESA-N 339.479 5.224 0 40 EKAB CCCCc1ccc(NC(=S)Nc2cccc(SC)c2)cc1 58714634 RKODZJGKXGGWBI-UHFFFAOYSA-N 330.522 5.560 0 40 EKAB Clc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Cl 73634706 VYSRUDMPTXXWAL-UHFFFAOYSA-N 332.017 5.844 0 40 EKAB CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(c1ccc(C)cc1)C2 100476108 WQOSKDXGMMHOKK-VXKWHMMOSA-N 335.491 5.304 0 40 EKAB C[C@H](CNC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 223448280 JXFFEJUWPXYTSW-BFWROUECSA-N 341.454 5.147 0 40 EKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)cc1 225502411 HSDJPRRAVLDCPF-OAQYLSRUSA-N 346.499 5.379 0 40 EKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225807010 QXKGDIGVXTWAGA-UHFFFAOYSA-N 348.462 5.007 0 40 EKAB CC(C)[C@H]1CC[C@H](C)c2c(-c3ccc(Br)cc3)n[nH]c21 387835 NRARIJLIMMHVAW-SMDDNHRTSA-N 333.273 5.476 0 40 EKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccco1 568433 AXILRCNTJBELFS-UHFFFAOYSA-N 337.158 5.203 0 40 EKAB CN(Cc1ccccc1F)c1nc(-c2cccs2)nc2ccccc12 3453426 HYPFWOTVMPRAHH-UHFFFAOYSA-N 349.434 5.134 0 40 EKAB CC(/C=C1\N=C(c2cccc3ccccc23)OC1=O)=C\c1ccccc1 4578223 BKMNLMJVFHBFCT-OWOAHEFASA-N 339.394 5.131 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2ccccc2)cc1 6270024 MZEGHJGHQDEFJF-OVCLIPMQSA-N 333.818 5.659 0 40 EKAB Clc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)cc1 6315814 OLYRTYNHPDZGHA-UHFFFAOYSA-N 343.817 5.599 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709079 RBOZVJWSYHOTDA-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 14201626 UZFURKBRPIQUSR-JTQLQIEISA-N 335.190 5.183 0 40 EKAB Cc1ccc([C@H](NC(=O)c2ccc(C)cc2C)c2ccccc2)cc1 15322033 KXIKKBMWMACGJH-JOCHJYFZSA-N 329.443 5.131 0 40 EKAB Cc1ccccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2o1 62049555 WJNYTNOZHVMQED-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1cccc(-c2nc3ccc(NC(=O)c4ccc(F)cc4)cc3o2)c1 62049633 XZSPGYYBISMETR-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Cc1ccc2c(-c3ccccc3)nc(Nc3ccccc3C)nc2c1 75106547 SUSZOMYQUQYTHQ-UHFFFAOYSA-N 325.415 5.657 0 40 EKAB O=C(c1cccc2ccccc12)N(Cc1ccoc1)Cc1cccs1 90612136 UJUKWCKIRFOWCP-UHFFFAOYSA-N 347.439 5.337 0 40 EKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl 96654111 GQRWPCAEFLJLMB-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2ccc(Cl)c(Cl)c2)C1 100984452 CHXDLETYBZZONP-YVEFUNNKSA-N 341.282 5.426 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224621017 GSVNNRKEQGJURI-NRFANRHFSA-N 345.442 5.043 0 40 EKAB CC(C)c1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1 226269695 GXTXPJGFUBJSER-UHFFFAOYSA-N 348.324 5.119 0 40 EKAB CC[C@@H](C(=O)c1ccc(C(F)(F)F)c(Cl)c1)c1ccccc1 575360812 OPLKYLLDERGPKL-CYBMUJFWSA-N 326.745 5.735 0 40 EKAB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1 245100 IPWQORQAFYQEHN-UHFFFAOYSA-N 331.202 5.102 0 40 EKAB COc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 510569 JBAINDMXQNMHEY-CXUHLZMHSA-N 345.398 5.139 0 40 EKAB Clc1ccc(-c2nnsc2Sc2ccccn2)c(Cl)c1 1385795 UZOTWZNSAXLBNG-UHFFFAOYSA-N 340.260 5.058 0 40 EKAB O=C(Oc1ccc2ccccc2c1)Sc1ccc2ccccc2c1 1667677 ADOBTLZARCDDGF-UHFFFAOYSA-N 330.408 6.284 0 40 EKAB CCCSc1nc(Cl)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2391985 MFHXVJGSYOAMBC-HNNXBMFYSA-N 342.917 5.088 0 40 EKAB CCOc1ccc(Oc2ccc(NC(=O)CC(C)(C)C)cc2)cc1 2653321 FMLHUWJODHOBAS-UHFFFAOYSA-N 327.424 5.252 0 40 EKAB Cc1cc(C)c(NC(=O)COc2ccc3ccccc3c2)c(Cl)c1 3323790 YHDZAUUSNYMASZ-UHFFFAOYSA-N 339.822 5.128 0 40 EKAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 3345892 ZTGXAQJLJVTSBD-HNNXBMFYSA-N 335.378 5.109 0 40 EKAB C(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)Cc1cccnc1 4688462 RHNCAYZLQKAMNH-BVXMOGEKSA-N 340.470 5.310 0 40 EKAB Cc1ccc(SCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 5191392 YWEMCOYXBPLZEV-UHFFFAOYSA-N 340.275 5.423 0 40 EKAB CCCCc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 6653062 UXSPLLYUCHTSNE-UHFFFAOYSA-N 347.911 5.555 0 40 EKAB CC(C)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 10335229 AYISNXUVDJGXFG-UHFFFAOYSA-N 349.518 5.224 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@H]1CC[C@@H]2CCCC[C@@H]2C1 16399378 XEZQBYJNDKLOTM-ZENOOKHLSA-N 341.373 5.613 0 40 EKAB CC[C@H](C)c1ccccc1O[C@H](C)CNc1c(C)cc(C)cc1C 19737722 IIKAIDKYHFUSSI-QFBILLFUSA-N 325.496 6.005 0 40 EKAB CCCCc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 29083827 DPGSKLLYOIFPJC-UHFFFAOYSA-N 348.446 5.256 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C 30870662 XGHLODSJIXMGKI-KRWDZBQOSA-N 339.479 5.648 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 38755037 APNJUQIERXLUDJ-ZWKOTPCHSA-N 339.479 5.072 0 40 EKAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223064270 NNWQMCPKQIVUQP-FQEVSTJZSA-N 341.882 5.029 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccccc1C 225757112 HRESQJGWSFEOOJ-MRXNPFEDSA-N 348.899 5.095 0 40 EKAB CCC[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 253499869 QJNGVAWIYOINJU-LPGOLNJRSA-N 346.555 5.375 0 40 EKAB biogenic Cc1ccn2c(Nc3ccccc3C)c(-c3ccc(Cl)cc3)nc2c1 427556 IQOMDPYNTLBDNS-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 505798 RSVNVBCHKMGTDI-MRXNPFEDSA-N 325.452 5.341 0 40 EKAB Cc1cccc2sc(NC(=O)c3c(Cl)cccc3Cl)nc12 815571 OPIUXVKRGACWEF-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CC(C)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1 2767982 XNBXFKXUDYYMHL-UHFFFAOYSA-N 331.415 5.855 0 40 EKAB CCc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 4713034 JVVNICZDAMJDPT-QHCPKHFHSA-N 344.433 5.744 0 40 EKAB CCC1(CC)O[C@H](c2ccccc2OC(C)C)Nc2ccccc21 6659475 RYGSOAUPZPXVPU-HXUWFJFHSA-N 325.452 5.630 0 40 EKAB CCSc1ccccc1C(=O)Nc1cc(C)c(Cl)cc1OC 7684358 UZAFOTWREJKTGR-UHFFFAOYSA-N 335.856 5.021 0 40 EKAB CCCCCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 9142040 KXIGURJZZCQGTB-UHFFFAOYSA-N 349.430 5.287 0 40 EKAB CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc1 9420038 ULTXSKXXBNLWNG-HXUWFJFHSA-N 347.487 5.370 0 40 EKAB CCc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13774766 SHQHWMMNJLSMOS-OAHLLOKOSA-N 340.536 5.594 0 40 EKAB Cc1cc(F)ccc1NC(=S)Nc1cc(Cl)cc(Cl)c1 13937309 CVLOGQQCQXHHQY-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1c([C@@H]2c3ccccc3C(=O)N2CCC(C)C)c2ccccc2n1C 13942393 SGGYBOWIHCQUST-QFIPXVFZSA-N 346.474 5.078 0 40 EKAB Clc1cc(-c2csc(Nc3cccnc3)n2)c(Cl)s1 62581014 LYVNMMWCHPNEQE-UHFFFAOYSA-N 328.249 5.317 0 40 EKAB Cc1cccc(CN2C(=O)[C@H]3CCCC3=Nc3cc(C)c(C)cc32)c1 102302227 RFVAPQHETSCDDW-SFHVURJKSA-N 332.447 5.031 0 40 EKAB CCOc1ccc(CNc2ccc(Br)cc2)cc1Cl 106979399 GDNWNDBUSBTKLJ-UHFFFAOYSA-N 340.648 5.113 0 40 EKAB Cc1ccc(S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 225086654 MZPQWODLDWJVKP-HNNXBMFYSA-N 341.259 5.090 0 40 EKAB S=C(Nc1ccc(OC2CCCC2)cc1)NC1CCCCCC1 225354104 OBVNAAQVQMCHCG-UHFFFAOYSA-N 332.513 5.017 0 40 EKAB CCCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCCC1 225656596 MFVUYISJQAEEMG-UHFFFAOYSA-N 345.483 5.076 0 40 EKAB O=C(CSCc1ccccc1Cl)Nc1ccc2ccccc2c1 36143 GREUCLXKMAOKAG-UHFFFAOYSA-N 341.863 5.365 0 40 EKAB CC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1561917 DQGFHAXHQIHSOQ-UHFFFAOYSA-N 330.493 5.114 0 40 EKAB Clc1ccc(-c2oc(-c3ccc(Cl)cc3)c3c2CC=CC3)cc1 1651891 KSKOSMVZSZYIBU-UHFFFAOYSA-N 341.237 6.575 0 40 EKAB CCOc1ccc(NC(=O)Oc2ccc(-c3ccccc3)cc2)cc1 1741248 QJLLXTFSYBYSCG-UHFFFAOYSA-N 333.387 5.363 0 40 EKAB CCOC(=O)c1cc(-c2ccc(Cl)cc2)c(C(F)(F)F)s1 2540198 MQYIUYQVVLOGES-UHFFFAOYSA-N 334.746 5.264 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3ccc(F)cc3F)sc2c1 2632481 GXYGGMXXUIXHAM-UHFFFAOYSA-N 346.402 5.169 0 40 EKAB O=C1O/C(=C(/Cl)c2ccc(Cl)c(Cl)c2)c2ccccc21 4419651 XSXQUZMUTGVPGV-BUHFOSPRSA-N 325.578 5.228 0 40 EKAB FC(F)(F)c1cc(NC(=S)Nc2ccccc2)ccc1Cl 5395104 JJBGLGWXFANCBI-UHFFFAOYSA-N 330.762 5.168 0 40 EKAB Cn1c(SCc2ccc(F)c3ccccc23)nnc1-c1ccccc1 5669991 LAFPMWDWPXISQM-UHFFFAOYSA-N 349.434 5.067 0 40 EKAB CC(C)[C@@H](NC(=O)c1csc(-c2ccsc2)n1)c1cccs1 8013310 UKHLNUBCZCDIIS-CQSZACIVSA-N 348.518 5.060 0 40 EKAB COc1cc2c(c3oc(=S)c4c(c13)CCCC4)CCC(C)(C)O2 8764250 OAWABMFIBLVXOB-UHFFFAOYSA-N 330.449 5.153 0 40 EKAB biogenic CC1=C(/C=C/C(C)=C\C=C/c2ccc(C(=O)O)cc2)C(C)(C)CCC1 11681809 YRNAHKPMDMVFMV-VBAYWHJYSA-N 336.475 6.427 0 40 EKAB Cc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13717070 ZYTFFKKLLJLEPW-UHFFFAOYSA-N 332.428 5.830 0 40 EKAB in-vivo Nc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1C(F)(F)F 14630419 JHGZXAKJCKJMSU-UHFFFAOYSA-N 343.348 5.671 0 40 EKAB Clc1nc(-c2ccsc2)nc2scc(-c3ccccc3)c12 36825810 HACYURGFWHHRTH-UHFFFAOYSA-N 328.849 5.740 0 40 EKAB in-vitro Clc1ccc2oc(Nc3nc4c(Cl)cccc4s3)nc2c1 57352908 IAPJKQRHJMVVKE-UHFFFAOYSA-N 336.203 5.488 0 40 EKAB COc1cccc(C[S@](=O)Cc2c(C)cc(C(C)(C)C)cc2C)c1 58195771 MFUNGAXHVGISLX-XMMPIXPASA-N 344.520 5.058 0 40 EKAB Clc1ccc(CN2CCC(c3cc4ccccc4[nH]3)CC2)s1 58424941 KSVZVAIBKRSUOZ-UHFFFAOYSA-N 330.884 5.262 0 40 EKAB Cc1cc(C)c2nc(Cc3ccc(Br)cc3)sc2c1 73635542 FNCCZYSHNPJKPF-UHFFFAOYSA-N 332.266 5.266 0 40 EKAB CC(C)CCC[C@@H](C)CO[PH](=O)OC[C@H](C)CCCC(C)C 150385764 DCIMMEMPVRKHKG-QZTJIDSGSA-N 334.481 6.334 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC(C)C)c1ccccc1 219592933 KWDUEHFOEPAYBA-RTWAWAEBSA-N 339.479 5.056 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc3ccccc3c2)cc1 222747585 ZPRDSPVZBKRHTE-RVDMUPIBSA-N 343.470 5.467 0 40 EKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)CC(C)(C)C 224127905 ULOGBDIJKCYEGO-HNNXBMFYSA-N 333.516 5.082 0 40 EKAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 225436927 NTIXTCYSHINSGK-CQSZACIVSA-N 329.871 5.057 0 40 EKAB Cc1ccc(COc2cccc(CNc3ccc(C)cc3C)c2)cc1 409115571 JUZRHFXTXDSGSY-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(C)cc1 409122170 ZXWGTBGWUQNGBA-UHFFFAOYSA-N 347.458 5.503 0 40 EKAB C1=Nc2ccccc2Nc2c1c(-c1ccccc1)nn2-c1ccccc1 409376039 SOPYMTPOGCVAIZ-UHFFFAOYSA-N 336.398 5.347 0 40 EKAB C[C@@H](CN1CCCCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698619 VMKUTHOGNDZCNC-LAUBAEHRSA-N 349.946 5.230 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)N(CC(C)C)CC(C)C)sc2c1 2744352 FUPKKMWARNQXAG-UHFFFAOYSA-N 337.916 5.617 0 40 EKAB Cc1ccc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 3274917 DWCKKJOYJPUZMW-UHFFFAOYSA-N 345.773 5.037 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2)N3)C1 4545442 DAUMQCRQHARPAL-IUJLQVPDSA-N 338.476 5.033 0 40 EKAB Cc1ccc(C)c(NC(=S)NN(c2ccccc2)c2ccccc2)c1 6546226 GVZQCVOVZAKSQP-UHFFFAOYSA-N 347.487 5.343 0 40 EKAB Cc1ccc(SCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13668610 QNQUOHCKUMUABX-MRXNPFEDSA-N 341.520 5.262 0 40 EKAB CC(C)(C)NCc1ccc(-c2ccc(Br)cc2Cl)o1 20875590 SCMVLXLJXHZBNO-UHFFFAOYSA-N 342.664 5.251 0 40 EKAB CC(=O)c1cccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)c1 28465469 YCFUENPHOJZHFG-UHFFFAOYSA-N 326.396 5.204 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 30850848 OEKAYTQUTLLGLZ-IBGZPJMESA-N 345.870 5.479 0 40 EKAB Cc1oc(-c2ccccc2)nc1CN(C)[C@H]1CCCc2ccccc21 32901334 DKAUPEUXZJNSFF-NRFANRHFSA-N 332.447 5.159 0 40 EKAB O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)NC1CCCC1 63784560 VOHMOYLDAUSKSR-UHFFFAOYSA-N 347.418 5.091 0 40 EKAB CCc1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1 73639719 XXXDBJFURQOAIC-UHFFFAOYSA-N 344.252 5.943 0 40 EKAB FC(F)(F)c1ccnc(Oc2ccc3oc4ccccc4c3c2)n1 84594589 HXIXFAYQEWMTMQ-UHFFFAOYSA-N 330.265 5.187 0 40 EKAB Cc1ccc(-c2ccc(OC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)c(C)c2)cc1 102245443 NILUOCPWOWOGAD-YYWHXJBOSA-N 334.459 5.702 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 222957983 QRHFCHVAERMNNO-HXUWFJFHSA-N 339.479 5.442 0 40 EKAB Cc1ccc(SCCCNC(=S)Nc2cc(C)ccc2C)cc1 225586430 HPURIHGDUZTMGV-UHFFFAOYSA-N 344.549 5.081 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)oc1ccccc12 226296841 AQELYICFALRNSV-UHFFFAOYSA-N 341.193 6.124 0 40 EKAB CCOc1cccc2c1O[C@@](C)(CCC=C(C)C)[C@@H]1CC[C@@H](C)O[C@@H]21 257210558 BVDQJTGDBOKMIF-MDRHQERFSA-N 344.495 5.839 0 40 EKAB Cc1nc(Oc2ccc3ccccc3c2)c2c3c(sc2n1)CCCC3 81222 HPXXZMFTFNMFMT-UHFFFAOYSA-N 346.455 5.824 0 40 EKAB O=C(Nc1c2c(nc3ccccc13)CCCC2)c1ccccc1Cl 99758 ABHDZRGWDRRBLM-UHFFFAOYSA-N 336.822 5.019 0 40 EKAB CC(C)c1ccccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 146043 MTRORGPUDMJLJT-ZHACJKMWSA-N 334.246 5.769 0 40 EKAB Cc1ccc(C(=O)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 411285 FCIITABMFYTNAB-UHFFFAOYSA-N 349.455 5.157 0 40 EKAB Cc1sc2nc3c(c(-c4ccccc4)c2c1C)C(=O)CC(C)(C)C3 478580 PFEOIBSTRBVTAH-UHFFFAOYSA-N 335.472 5.735 0 40 EKAB Cc1cc(C)c2c(c1)[C@@H](C)CC(C)(C)N2C(=O)NC1CCCCC1 1461474 LRXKICGLRMSCQZ-INIZCTEOSA-N 328.500 5.438 0 40 EKAB CCOP(=O)(OCC)[C@@H](Nc1ccc(F)cc1)c1ccccc1 1646005 UJIFTMKGZMKICP-QGZVFWFLSA-N 337.331 5.203 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 2654458 FRVYEAKDSCGKFN-OAHLLOKOSA-N 347.458 5.616 0 40 EKAB Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1 3315012 NFTMJFVQRCCGKC-XSFVSMFZSA-N 331.415 5.384 0 40 EKAB aggregator O=C([C@H]1C[C@H]2CC[C@@]13CCCC[C@@H]23)[C@@H]1C[C@@H]2CC[C@]13CCCC[C@H]23 4538265 FHJVXHGAKSPDDK-XRCYVVRHSA-N 326.524 5.769 0 40 EKAB C[C@H](SCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 8220365 NENQOGCKNTXPOS-NSHDSACASA-N 340.275 5.254 0 40 EKAB Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1Cl 10119502 ULFHIIJWKYEEBJ-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB COc1cccc(-c2nnc(SCc3cccc4ccccc34)o2)c1 12179009 LKKWOJMIZDRTSF-UHFFFAOYSA-N 348.427 5.191 0 40 EKAB CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 64622579 QSHQKIURKJITMZ-OBUPQJQESA-N 330.600 7.472 0 40 EKAB in-vitro Cc1ccc(-c2nc3ccc(Br)cc3s2)cc1Cl 73639012 JZWLSRXOTZEEBA-UHFFFAOYSA-N 338.657 5.688 0 40 EKAB COc1ccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)cc1 78401247 CASRMGDICMSVLA-UHFFFAOYSA-N 331.202 5.126 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 78529186 JGZZCHAVRYOHBP-VIFPVBQESA-N 344.625 5.053 0 40 EKAB Cc1cc(C)c(NC(=O)c2cccc(Oc3ccccn3)c2)c(C)c1 96122668 MCALBUWXHLFXAA-UHFFFAOYSA-N 332.403 5.051 0 40 EKAB CC(C)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 96170851 AAJQGDUNTHCWIM-UHFFFAOYSA-N 338.329 5.353 0 40 EKAB CCCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OCC 103248332 YMOVYNOOVHFPAJ-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB Cc1ccccc1/N=c1/ssc2c1-c1ccccc1NC2(C)C 103441611 AYFATWKMUOZCSR-CZIZESTLSA-N 338.501 5.678 0 40 EKAB Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(Cl)c1 146010621 ZOVKWHXJAILTQG-UHFFFAOYSA-N 335.790 5.800 0 40 EKAB CCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225797862 CUXJUMKIBPBZJE-BTYIYWSLSA-N 343.467 5.161 0 40 EKAB CC(C)c1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 226240020 VWYXOEHMWAPXHR-UHFFFAOYSA-N 325.839 6.336 0 40 EKAB O=C(CSCc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 408601292 JPTGWXOLQRYBLR-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB CCCSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 408751256 YLDTVDPYLPZVSZ-UHFFFAOYSA-N 342.489 5.359 0 40 EKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1C 312992 MYBHFHHKKOLIPC-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)OCCC)ccc1Cl 2069856 ARISMCGTEKBQET-CYBMUJFWSA-N 339.863 5.062 0 40 EKAB Cc1cc2oc(=O)c(-c3ccccc3Cl)c(C)c2c(C)c1Cl 2529949 NOMYGRLXORLJRQ-UHFFFAOYSA-N 333.214 5.692 0 40 EKAB biogenic CCC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)cc1 3367666 SYJDUWTUUYZSHM-QRWLVFNGSA-N 337.463 5.761 0 40 EKAB Cc1c(C(=O)N2CCCc3ccccc32)oc2c1ccc1ccccc12 3443095 WRTGFPWSLCJVTG-UHFFFAOYSA-N 341.410 5.487 0 40 EKAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)C1(C)C 4717246 GDJKFDSRDFQQSD-WOJBJXKFSA-N 345.442 5.075 0 40 EKAB COc1ccc([C@H]2CC3=Nc4ccccc4N=C(C)C3=C(O)C2)cc1 6077356 VBSYJUVVWAZUQP-HNNXBMFYSA-N 332.403 5.263 0 40 EKAB Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 6185829 SZYJGIQVHJKVJN-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)cc2)N3)C1 6934494 DKOGJQONIVXKGG-QFYYESIMSA-N 346.883 5.345 0 40 EKAB Cc1ccc(SCCSc2nnc(C)n2C2CCCCC2)cc1 6938862 DCSBOCLTILZSEI-UHFFFAOYSA-N 347.553 5.285 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 7652100 JFNJSEMAZCUWRW-SECBINFHSA-N 344.625 5.053 0 40 EKAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1 11866551 TWHNLCHHLLXXST-GFCCVEGCSA-N 340.806 5.075 0 40 EKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2ncsc2c1 14664019 TZXVEYVNEDHYBW-UHFFFAOYSA-N 344.867 5.327 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(C)c1 20489476 FHMHDENGVYAWOQ-ROUUACIJSA-N 339.479 5.072 0 40 EKAB O=C(CCc1ccccc1F)Nc1ccc(Nc2ccccc2)cc1 21007057 ZQGPZWKZJYEJKJ-UHFFFAOYSA-N 334.394 5.141 0 40 EKAB c1ccc(Oc2cccc(CN[C@@H]3CCOc4ccccc43)c2)cc1 25356941 RINAHKMYAKAYAZ-OAQYLSRUSA-N 331.415 5.092 0 40 EKAB O=C(CSc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 30953388 IDOIKMZEKCHEHD-UHFFFAOYSA-N 333.412 5.317 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1cccc2ccccc12 35193758 PLZIJELGFYSFPG-WRWLIDTKSA-N 325.452 5.849 0 40 EKAB Cc1ccccc1NC(=O)c1ccccc1-c1nc2ccccc2s1 41155098 IEKUVKLJWXZDKQ-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB CCOc1cc(CNc2ccccc2)ccc1OCc1ccccc1 59055005 JOXMPMHXQHIISU-UHFFFAOYSA-N 333.431 5.276 0 40 EKAB Cc1ccc(-c2nc3ccc(NC(=O)c4ccccc4C)cc3o2)cc1 80340351 ILUFUINYZWIACG-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118912627 ZWJSLCYDYKYAGX-VVVZRFTHSA-N 346.599 6.444 0 40 EKAB CCC(=O)c1ccc(OCc2coc(-c3ccc(Cl)cc3)n2)cc1 222376546 KDWWPGZFCOCUMJ-UHFFFAOYSA-N 341.794 5.167 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)CCc2cccc3ccccc23)cc1C 223488958 WQHZONIVOOAVFA-IBGZPJMESA-N 345.486 5.575 0 40 EKAB CCc1nc2ccc(NC(=S)NC3CCCCCCC3)cc2s1 225208105 AUQXKFKRFIRDBE-UHFFFAOYSA-N 347.553 5.258 0 40 EKAB C[C@@H](CC(=O)c1ccccc1OC(F)(F)C(F)F)CC(C)(C)C 575360053 BZDVMQRCTCIKHH-NSHDSACASA-N 334.353 5.568 0 40 EKAB O=C(NCc1ccccc1)c1ccc(-c2cccc(Cl)c2Cl)o1 566817 VJZBJUWGYYMCCD-UHFFFAOYSA-N 346.213 5.183 0 40 EKAB Cc1ccc(C)c(-n2c(-c3ccccc3)cn3c4ccccc4nc23)c1 3290084 JHTATUALVIPLKP-UHFFFAOYSA-N 337.426 5.562 0 40 EKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3C)N=C(O)CCN21 4000138 LHTCNJJOPHLNKK-BWSGXRDBSA-N 346.474 5.171 0 40 EKAB biogenic CCOc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)ccc1O 5787716 WDDIFSYMDRKVQR-SOFGYWHQSA-N 325.433 5.188 0 40 EKAB CCc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 6750788 RONYOPGEFYJDJW-UHFFFAOYSA-N 345.446 5.052 0 40 EKAB CCCCNCc1c(OCc2ccccc2F)ccc2ccccc12 7261617 SXOOFANCSJWVIM-UHFFFAOYSA-N 337.438 5.448 0 40 EKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccccc1 8471982 XMLUOUWVUOJVSB-UHFFFAOYSA-N 339.479 5.087 0 40 EKAB CCc1cccc(CC)c1NC(=O)CCSc1ccc(Cl)cc1 15960997 MIUHMLLLFWIVCH-UHFFFAOYSA-N 347.911 5.586 0 40 EKAB C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1 17072423 BQZSZCZXUYHADR-GFCCVEGCSA-N 348.462 5.310 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1C 20104355 FPGZACOJAJXHSQ-QGZVFWFLSA-N 333.884 5.466 0 40 EKAB C[C@H](Sc1ccc(F)c(Cl)c1)c1nc(-c2cccs2)no1 26050937 UVSOJYGEKLVKLA-QMMMGPOBSA-N 340.832 5.444 0 40 EKAB O[C@H](c1ccc(-c2ccccc2)cc1)c1ccccc1Br 35995678 FOUQHYSCENXYCT-LJQANCHMSA-N 339.232 5.198 0 40 EKAB Clc1ccc(C2=N[C@@H](c3ccccc3)N3[C@H]2[C@H]3c2ccccc2)cc1 36378019 JTMWJVWEVLMMNX-AEGADVIYSA-N 344.845 5.267 0 40 EKAB CN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1 71795996 JNRFLQCSITZMCN-UHFFFAOYSA-N 346.474 5.094 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C)c1C 113970746 LATOKGDXBSWVOB-GOSISDBHSA-N 331.843 5.061 0 40 EKAB C[C@@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 216841664 PEMOZEWHVRTQST-HUUCEWRRSA-N 338.426 5.112 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)cccc1C(C)C 222987164 FSGQZUUGQVUWAC-HXUWFJFHSA-N 339.479 5.531 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C 225255479 DNENBRRSZCOXJL-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CCc1cccc(C)c1NC(=O)c1ccc(-c2csc(C)n2)cc1 352712508 CRLSUGZLXKSTPX-UHFFFAOYSA-N 336.460 5.242 0 40 EKAB c1ccc(CCNc2ncnc3scc(-c4ccccc4)c23)cc1 66562 ILVDDKSLDQUPSP-UHFFFAOYSA-N 331.444 5.013 0 40 EKAB O=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1Cl 384132 XPUQFXGEVRBBKH-UHFFFAOYSA-N 346.213 5.164 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccccc2)C1(C)C 1414679 ZMTZIUYTBVUPBL-GHTZIAJQSA-N 346.474 5.036 0 40 EKAB Cc1ccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 3668730 XOLBAQJPFPGANJ-UHFFFAOYSA-N 348.515 6.910 0 40 EKAB CC(=O)c1cc2c(-c3ccccc3)c(-c3ccccc3)oc2c(C)c1O 4669052 RQNQCFMCYSKTBO-UHFFFAOYSA-N 342.394 5.983 0 40 EKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc2ccccc2c1 5380134 WKYYFIUZQVEMBB-UHFFFAOYSA-N 333.431 5.155 0 40 EKAB CCc1cccc2c(C=O)cn(CCCOc3ccccc3Cl)c12 6945354 GPEMEZAEFCIERU-UHFFFAOYSA-N 341.838 5.139 0 40 EKAB COc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 7846887 SFLXHTPLTQJEFV-UHFFFAOYSA-N 345.829 6.231 0 40 EKAB O=C(Nc1cccc(Oc2ccccc2)c1)c1c(F)cccc1F 9741567 GROUZORPMIWTAV-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB CCCCOc1ccccc1NC[C@@H](CC)Oc1ccccc1C 19738486 RPOYZGPEKMONOH-GOSISDBHSA-N 327.468 5.443 0 40 EKAB CCCOc1ccc(Br)cc1CNc1cccc(C)c1C 37215587 BZWWCOGXYPDTIL-UHFFFAOYSA-N 348.284 5.467 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1C 44903629 PRXBBEXQUFIENZ-KRWDZBQOSA-N 343.492 5.212 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1cncc2ccccc12 45028893 URKGCNMYMMFQEG-UHFFFAOYSA-N 325.367 5.258 0 40 EKAB Cc1cc(C)c(-c2cc3c(n2Cc2ccccc2)CCCC3)c(C)c1 95951601 XZYLOKNLBFGCLH-UHFFFAOYSA-N 329.487 6.007 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 225106528 KDZFQCUIQOYXGB-MRXNPFEDSA-N 333.516 5.217 0 40 EKAB O=C1CS[C@H](c2ccccc2)N1c1ccc(Oc2ccccc2)cc1 180314 FJXQPSWQRXSPMD-OAQYLSRUSA-N 347.439 5.258 0 40 EKAB Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 395264 XZZPSMCICXEUHZ-UHFFFAOYSA-N 344.458 5.538 0 40 EKAB Cc1ccc(N[C@@H]2C=C(c3ccccc3)Oc3ccccc32)c(C)c1 1598805 FQBPEQXRWFQPMO-OAQYLSRUSA-N 327.427 5.890 0 40 EKAB Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2Cl)c1 2569362 QMUDLTGWHILKHH-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic,in-vitro Cc1ccc(-c2csc(/C=C/c3ccccc3OC(F)F)n2)cc1 5837530 JXAVWRVJRWGTRK-ZHACJKMWSA-N 343.398 5.890 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 6306990 DAAGNZCYECYEEQ-UONOGXRCSA-N 331.843 5.260 0 40 EKAB Cc1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)c(C)c1 6472683 RFDWULOSYVRYGW-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB Cc1ccc(C(C)C)c(OCCN2CCCC[C@H]2c2cccnc2)c1 6624331 WXTJRJWXLDFKKS-NRFANRHFSA-N 338.495 5.119 0 40 EKAB biogenic CCn1c2ccccc2c2cc(CNC3CCCCCCC3)ccc21 6871173 KRGJXCCOXHWFFF-UHFFFAOYSA-N 334.507 6.017 0 40 EKAB Fc1ccc(OCc2cccc(-c3nc4ccccc4s3)c2)cc1 6943074 HXULNUZIBQQWPH-UHFFFAOYSA-N 335.403 5.681 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8041471 YORMLQYTRYIAJI-QGZVFWFLSA-N 331.843 5.007 0 40 EKAB Cc1ccc(F)cc1NC(=O)CSc1ccc2ccccc2c1 8079134 GMGGWRPMJPVMFJ-UHFFFAOYSA-N 325.408 5.018 0 40 EKAB Cc1ccc(-c2csc(-c3c(C)nc4sccn34)n2)cc1C 8656834 DICNIAJGZJIKMQ-UHFFFAOYSA-N 325.462 5.112 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708480 REOHCTOHHGMQCG-INIZCTEOSA-N 347.458 5.371 0 40 EKAB O=C(c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1Cl 20362820 YOXARBZHACIJBA-UHFFFAOYSA-N 325.578 5.624 0 40 EKAB Cc1ccccc1NC(=O)c1cccnc1Nc1ccccc1Cl 22072506 JRXCUTBUNJWZGH-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1 22072979 JVTZPIMAPSVOLK-UHFFFAOYSA-N 349.409 5.340 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 22508996 SLSPUDNFDOGQDX-MRXNPFEDSA-N 343.492 5.130 0 40 EKAB FC(F)(F)c1cccc(OCOc2cccc(C(F)(F)F)c2)c1 32220261 GWXCZSLHZXEUJN-UHFFFAOYSA-N 336.231 5.140 0 40 EKAB OCc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12 95095023 XOKWPRNOFPOCMX-UHFFFAOYSA-N 333.214 5.218 0 40 EKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc(Cl)cc2)CCC1 102887121 KTTOIYXYLJRVLC-LJQANCHMSA-N 349.821 5.361 0 40 EKAB C[C@]12CCC(=C3C=CC=C3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118927259 OYOVFIJVSKWVLT-DAMCVVMBSA-N 338.535 5.813 0 40 EKAB CSc1cccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1 199719802 DDQNWHTVGYJXKA-UHFFFAOYSA-N 330.453 5.185 0 40 EKAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl 223496815 IVKZNHJNEYVMOL-HNNXBMFYSA-N 345.870 5.155 0 40 EKAB Cc1c(Cl)cccc1NC(=O)CCc1c(Cl)cccc1Cl 225347490 YPIJHXYNALPYGW-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)cc1C(C)C 225657584 CFZZIMHPQXWAJV-UHFFFAOYSA-N 331.843 5.341 0 40 EKAB CCCCC/C=C/C/C=C/C[C@@H]1O[C@@H]1C/C=C\CCCC(=O)OC 299888776 XAOMBLXPIQCTNG-MJURTDTBSA-N 334.500 5.516 0 40 EKAB C[C@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2039067021 ZWJSLCYDYKYAGX-OMNXGBBMSA-N 346.599 6.444 0 40 EKAB COc1ccccc1CNc1nc(-c2ccc(F)c(F)c2)c(C)s1 2628929 CMWUSJHPPWBWMB-UHFFFAOYSA-N 346.402 5.017 0 40 EKAB O=C(/C=C/c1ccc(SC(F)F)cc1)Nc1ccc(Cl)cc1 3169488 XGRNVLOLXFFJJX-XCVCLJGOSA-N 339.794 5.307 0 40 EKAB O=c1[nH]c(-c2sc3ccccc3c2Cl)nc2ccc(Cl)cc12 4613411 ALVWORSIRPMPMU-UHFFFAOYSA-N 347.226 5.112 0 40 EKAB CCCc1cc(=O)oc2c(C)c3oc(C)c(-c4ccccc4)c3cc12 5235574 JDQXPNSLWQYMNN-UHFFFAOYSA-N 332.399 5.776 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1c(F)cccc1F 6603210 DZVLRYCAATXTIN-UHFFFAOYSA-N 341.382 5.368 0 40 EKAB Cc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1Cl 8288003 CUGVKYYFVYIKHS-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB Clc1ccc(Cn2cc(CNC3CC3)c3ccccc32)c(Cl)c1 10315641 ZOAOKMNFHDYIQW-UHFFFAOYSA-N 345.273 5.248 0 40 EKAB CCc1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1 10326065 YNHYIKRNRMLWOV-UHFFFAOYSA-N 329.443 5.487 0 40 EKAB CC(C)c1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1 10637534 CLTKWYZAXFIRKH-UHFFFAOYSA-N 336.460 5.037 0 40 EKAB Cc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c(C)c1 12744164 FBGQNLZZVQXIMW-UHFFFAOYSA-N 343.857 6.839 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(C(C)C)cc2)c1 13931196 SZDJHFXCNNYAFY-INIZCTEOSA-N 326.509 5.474 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 16044828 CXNRHJXUBPSSBF-SXWKCWPCSA-N 333.475 5.298 0 40 EKAB C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 17916250 BNVLEPZOZIHLRR-KRWDZBQOSA-N 347.433 5.225 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(C)cc1 20047188 QMTDVGSDRHMZGB-PMACEKPBSA-N 339.479 5.037 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1cccc2ccccc12 20111836 YWTITNRXOCARQG-FQEVSTJZSA-N 347.458 5.507 0 40 EKAB Cc1nc2cc(NC(=O)C3(c4cccs4)CCCC3)ccc2s1 36709795 BZFJVYZNXCKBJP-UHFFFAOYSA-N 342.489 5.117 0 40 EKAB Cc1cc(NC(=S)Nc2ccc(Cl)cc2Cl)ccc1F 71326140 BPUYUWZSIMPLKL-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB c1ccc2c(c1)[nH]c1ccc(-n3c4ccccc4c4ccccc43)cc12 96334653 FHJJVSJWFYYPAC-UHFFFAOYSA-N 332.406 6.418 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225704448 ZZGMFFYEOBMASM-FQEVSTJZSA-N 335.488 5.096 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ccccc12 225803274 YMQDASVIBSFJMG-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1 409270069 BVFZCPFYZQYGMZ-RCCKNPSSSA-N 345.442 5.891 0 40 EKAB C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1 36292 SFODDILKGLAIRW-WMZOPIPTSA-N 337.463 5.424 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(NCc4ccccc4Cl)c23)C1 1972862 ACFXFLSCZPFLKQ-NSHDSACASA-N 343.883 5.082 0 40 EKAB O=C(Cc1ccc(Cl)cc1)Oc1ccc2oc3ccccc3c2c1 3287987 PRYBLIHJKMFUEK-UHFFFAOYSA-N 336.774 5.388 0 40 EKAB O=C(Nc1cccc2ccccc12)C1c2ccccc2-c2ccccc21 4503049 ZWTQYHAEFYELKR-UHFFFAOYSA-N 335.406 5.591 0 40 EKAB Cc1ccc(NC(=O)CN2c3ccccc3Sc3ccccc32)cc1 5363203 SRPOKUOXFMADTM-UHFFFAOYSA-N 346.455 5.236 0 40 EKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)C(F)(F)F)c3)nc2c1 8053962 OVUOSZQAYWDVKV-UHFFFAOYSA-N 348.324 5.119 0 40 EKAB Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 13774803 GJTBWDJBYAMSCE-INIZCTEOSA-N 340.536 5.649 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2CCCC[C@H]2C1 16385377 YBPWSZIAWJLJCC-RYUDHWBXSA-N 327.255 5.037 0 40 EKAB CC[C@H](C)Oc1cccc(NCCOc2ccccc2[C@H](C)CC)c1 19737546 WEMFBHYPLAWRED-MSOLQXFVSA-N 341.495 5.868 0 40 EKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3ccccc3c2C)o1 27748924 AIYJTJSSJOIUOS-UHFFFAOYSA-N 349.386 5.078 0 40 EKAB Cc1cc(C)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C)c1 59294439 PFYMFXRESQFTFW-ZRDIBKRKSA-N 331.415 5.524 0 40 EKAB Cc1nc(-c2ccsc2)sc1C(=O)NC(C)(C)CC(C)(C)C 65403175 NWGSKOWMSHNGBW-UHFFFAOYSA-N 336.526 5.125 0 40 EKAB CC(C)N(c1ccc([C@H]2CCCN2Cc2ccccc2)cn1)C(C)C 72212946 BGFSMTYDTASUBW-OAQYLSRUSA-N 337.511 5.042 0 40 EKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 408564645 ZFOXLCMTFIYLJK-ZDUSSCGKSA-N 325.905 5.050 0 40 EKAB C[C@@H](CC(=O)c1cccc(OC(F)(F)C(F)F)c1)CC(C)(C)C 575360021 BPEGEMLISAOIOQ-NSHDSACASA-N 334.353 5.568 0 40 EKAB CC(C)CCn1c(Cc2cccc3ccccc23)nc2ccccc21 2087840 USXURCJOFKLADB-UHFFFAOYSA-N 328.459 5.826 0 40 EKAB CCn1c(SCc2ccc(C)cc2)nnc1-c1c[nH]c2ccccc12 4138595 FHFKKMRSGSMYCF-UHFFFAOYSA-N 348.475 5.047 0 40 EKAB O=C(Nc1ccccc1Cl)/C(=C/c1ccccc1)c1ccccc1 6222559 WYKAPOKIIGKQPJ-OBGWFSINSA-N 333.818 5.519 0 40 EKAB Cc1cc(C(C)(C)C)ccc1OC(=O)CCCc1c[nH]c2ccccc12 6583200 WYDKMENGQXNLEZ-UHFFFAOYSA-N 349.474 5.702 0 40 EKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1OCC 7264166 LNEMQDHENNZJST-UHFFFAOYSA-N 341.451 5.168 0 40 EKAB C[C@@H](NCc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 8534855 DYWURWLOFXNSSZ-GUBDFHHESA-N 338.322 5.688 0 40 EKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Cl)cc2)s1 11905914 ZEKNNNPXLSJOJS-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Cl)cc1C(F)(F)F 15084404 QTGZGRKAJUSWLJ-FPYGCLRLSA-N 343.707 5.150 0 40 EKAB Cc1nc2ccc(NC(=S)Nc3ccc(C)c(C)c3)cc2s1 16270090 CDGSJNOOTWRESW-UHFFFAOYSA-N 327.478 5.030 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(C)C)cc1 20453339 YQARQQYQEDWIDD-GOSISDBHSA-N 331.843 5.260 0 40 EKAB Fc1c(Cl)cccc1NC(=S)Nc1cccc(C(F)(F)F)c1 71326206 ZYMKROMWXSTGLM-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB C[C@@H](NC(=O)c1sc2ccccc2c1Cl)[C@H]1C[C@H]2CC[C@H]1C2 105874154 VHBSHKYZMWSAKL-OWTLIXCDSA-N 333.884 5.109 0 40 EKAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224272911 LXNDGJJIPGVMIA-UHFFFAOYSA-N 345.398 5.626 0 40 EKAB CSc1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225352278 HSWFBOSZTNAYOV-UHFFFAOYSA-N 340.275 5.287 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1 225635141 FTFJXTNLEJALFK-CQSZACIVSA-N 347.911 5.013 0 40 EKAB O=C(Cc1cccs1)c1ccc(COc2cc(F)ccc2F)cc1 575358079 IJAATVDNPNDCML-UHFFFAOYSA-N 344.382 5.031 0 40 EKAB C[C@H](Cc1csc2ccccc12)NC(=O)c1c(F)cccc1Cl 575621593 PVVHAURWACVRMO-LLVKDONJSA-N 347.842 5.055 0 40 EKAB CCCC(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C)CC)cc2)c1 367262 WVOFEMHCRYENPD-OAHLLOKOSA-N 338.451 5.191 0 40 EKAB FC(F)(F)c1ccccc1-c1ccc(-c2nnc(-c3ccco3)o2)o1 4484424 YSUUAURERFJCDQ-UHFFFAOYSA-N 346.264 5.275 0 40 EKAB COc1cc(CNc2ccccc2C)ccc1OCc1ccc(C)cc1 4675675 HKPVHHYQIGDCMU-UHFFFAOYSA-N 347.458 5.503 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1ccc(Cl)cc1 5376429 IQDPLIHISAQUOO-RRQGHBQHSA-N 340.916 5.436 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C 5427189 OMUMQXPIWUEEEG-MPQVKJNFSA-N 330.556 6.881 0 40 EKAB biogenic O=C1c2ccccc2[C@@H](SCc2ccccc2)N1Cc1ccccc1 6475073 XWANLYMAIHNUQI-JOCHJYFZSA-N 345.467 5.275 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1 12799882 LDSBWDYBIMNICO-MRXNPFEDSA-N 337.419 5.172 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 14665149 ZDNZVZJNROAAMK-INIZCTEOSA-N 325.452 5.007 0 40 EKAB CCCCN(CCCC)C[C@H](O)c1ccc(C2CCCCC2)cc1 16892555 MTRLKRMXNPZMKH-QFIPXVFZSA-N 331.544 5.670 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 22532754 GHZWDSRBOGWQPO-BFWROUECSA-N 341.454 5.413 0 40 EKAB C[C@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1 28352063 UHHQZGDDYBDHMD-JKSUJKDBSA-N 343.430 5.302 0 40 EKAB Cc1nnc(S[C@H]2CCc3ccc(F)cc32)n1C1CCCCC1 72312849 BLHJSQYHFPZJAE-KRWDZBQOSA-N 331.460 5.010 0 40 EKAB Cc1cccc(CNC(=S)c2ccc(OCc3ccccc3)cc2)c1 408572153 GYRDTEQERHDSKZ-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB Cc1ccc([C@@H](Nc2cc(C)ccn2)c2c(C)[nH]c3ccccc23)cc1 72054 UXASOCDPYFCFGE-HSZRJFAPSA-N 341.458 5.690 0 40 EKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1 570326 HZHBKHNZRVNBFG-AWEZNQCLSA-N 336.435 5.603 0 40 EKAB CC1(C)CCC(=CNc2ccc(C(=O)NCc3ccccc3)cc2)CC1 1438725 HFAJZWKXYQXJGO-UHFFFAOYSA-N 348.490 5.513 0 40 EKAB O=C(/C=C/c1c(Cl)cccc1Cl)NCCCCc1ccccc1 2734342 JDBOEJZZTJWHQM-OUKQBFOZSA-N 348.273 5.146 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3882020 ZSLFGNQZRMYDJQ-FDQZTKHMSA-N 344.539 5.151 0 40 EKAB biogenic OC[C@H](O)COCCCCCCCCCCCCC[C@H]1C=CCC1 5600366 NDGBSIABANLBIW-SFTDATJTSA-N 340.548 5.004 0 40 EKAB Cc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 6771756 CWJDTQOHSHFLCA-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB O=C(CCSCc1ccccc1)Nc1cccc(Cl)c1Cl 7685450 KYGJVVAAQZDOIX-UHFFFAOYSA-N 340.275 5.255 0 40 EKAB Cc1c(-c2ccccc2)sc2ncnc(N[C@@H](C)c3ccco3)c12 7908123 RSCMTMXMVIARJI-ZDUSSCGKSA-N 335.432 5.433 0 40 EKAB Cc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 19934780 QRRYCOXZBCZAFB-DEOSSOPVSA-N 343.470 5.060 0 40 EKAB CCCCOC(=O)c1ccc(Nc2cc(C)c3ccccc3n2)cc1 41127697 YHGNVPMXBLKCCR-UHFFFAOYSA-N 334.419 5.244 0 40 EKAB Fc1c(Cl)cccc1NC(=S)Nc1ccc(Cl)cc1Cl 48416015 XQCHROIAAXTILV-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB C[C@]12CC3CC(Nc4nc(Cl)nc5ccccc45)(C1)C[C@](C)(C3)C2 100365474 KDJSRQQEECHROQ-QEJKFARNSA-N 341.886 5.444 0 40 EKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2ccccc2Cl)CCC1 102652096 SEXWXBSBUCDIMX-IBGZPJMESA-N 349.821 5.361 0 40 EKAB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(O)CCCC1=N2 102734689 UGQIPFFUMRLAQH-HNNXBMFYSA-N 349.217 5.504 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1Cl 106965079 LQFJLDQSBLTHII-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB O=C(NCc1cc(-c2ccco2)cs1)c1cccc2ccccc12 1775968692 LIWQNPIZTVLSRK-UHFFFAOYSA-N 333.412 5.091 0 40 EKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1 85353 YKYJGDITQUNJLS-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB CN1CCC([C@@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 347780 KGFKMQPKZITFIV-IBGZPJMESA-N 345.895 5.267 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 568919 IZPPMYHADIWIMS-CYBMUJFWSA-N 345.870 5.488 0 40 EKAB Clc1ccc(-c2nnc(-c3cccc4ccccc34)o2)c(Cl)c1 1580733 OERYWWWKFGHAOD-UHFFFAOYSA-N 341.197 5.864 0 40 EKAB COc1ccc([C@H](CCNCc2ccccc2)c2ccc(C)cc2)cc1 1799834 NCAQBZAGWJVTOE-XMMPIXPASA-N 345.486 5.315 0 40 EKAB biogenic ONc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 3125847 SQAROONDUDXMRA-UHFFFAOYSA-N 339.398 5.279 0 40 EKAB CC(C)CC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2)cc1 3330354 LMYXOAZRQHOXFA-MRXNPFEDSA-N 342.508 5.590 0 40 EKAB c1ccc(OCCSc2nc3ccccc3n2-c2ccccc2)cc1 6315839 ADAXMQBPSWFYSZ-UHFFFAOYSA-N 346.455 5.197 0 40 EKAB COc1ccc2ccccc2c1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 8497288 WGFPWWVTDPCEFA-RNXZQOMOSA-N 349.518 5.543 0 40 EKAB C[C@@]12CC3CC(NCc4ccc(Br)cc4)(C1)C[C@](C)(C3)C2 8534522 JRRQGSZXSFNCGG-AFGAAMFOSA-N 348.328 5.288 0 40 EKAB c1ccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)nc1 13943601 UVXPUWVBUGLKOG-UHFFFAOYSA-N 335.476 5.996 0 40 EKAB Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)cc1Cl)C=CO2 33026940 NYIRPPJDRIITHJ-UHFFFAOYSA-N 346.213 5.230 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 38757273 FAGCYJWODLHZBZ-VQIMIIECSA-N 327.493 5.071 0 40 EKAB O=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1ccco1)c1ccccc1 44899670 ILFHYOMWNYHGEI-QEQIRTOISA-N 343.426 5.014 0 40 EKAB CC(C)(C)Sc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72217387 YQCULBXHEHRCII-IBGZPJMESA-N 340.536 5.699 0 40 EKAB Cc1[nH]c(-c2ccc(-c3ccccc3Cl)o2)nc1-c1ccccc1 95468291 XMICZJYBCLRMQQ-UHFFFAOYSA-N 334.806 5.966 0 40 EKAB Cc1cc(C)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 225641475 AZNGSNXCZPSLCA-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB CC(C)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 408603053 FBSATXRBGAACLB-UHFFFAOYSA-N 329.399 5.962 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(Oc4ccc5ccccc5c4)c23)C1 38278 LZADPEKQPMLBMG-CYBMUJFWSA-N 346.455 5.762 0 40 EKAB Cc1ccc(-c2cn3nc(-c4ccc(C)cc4)n4c3c2CCCC4)cc1 521603 YYWHXRXHOKMTCN-UHFFFAOYSA-N 341.458 5.423 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 579473 JFFUEVCRJRNIMC-AATRIKPKSA-N 326.610 5.299 0 40 EKAB CC(C)[C@@H]1CC(C)(C)c2cc3c(cc2O1)C(C)(C)C[C@@H](C(C)C)O3 1755211 AXZZWZJMODCYKU-PMACEKPBSA-N 330.512 5.856 0 40 EKAB Cc1ccc(NC(=O)CSCc2cccc3ccccc23)cc1C 2651837 IXXZKYDXOCXAQM-UHFFFAOYSA-N 335.472 5.329 0 40 EKAB Fc1ccc(-c2csc3ncnc(N4CCc5ccccc54)c23)cc1 3275616 GNKWRRFYNRDYOK-UHFFFAOYSA-N 347.418 5.192 0 40 EKAB C[C@]1(c2cc3ccccc3o2)Nc2ccccc2C(=O)N1C1CCCC1 3418887 KUZUABFFKKINHX-QFIPXVFZSA-N 346.430 5.116 0 40 EKAB O=C(NCCCn1c2ccccc2c2ccccc21)Nc1ccccc1 4593494 KJKQEYHPGIYMMY-UHFFFAOYSA-N 343.430 5.006 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 6278521 RVUJNBBLAWDSBI-XYOKQWHBSA-N 327.855 5.598 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 9064394 QZNJIKWBFVDFIN-UHFFFAOYSA-N 342.870 5.137 0 40 EKAB Cc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CC3)n2)cc1C 12602943 BLMAYYWQEPSYQN-UHFFFAOYSA-N 348.471 5.097 0 40 EKAB Fc1cc(Cl)ccc1NC(=S)Nc1cccc(C(F)(F)F)c1 13792445 MPIXUCOOKYDALE-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB O=C1C[C@H](c2ccccc2)Cc2nccc(-c3ccc(Cl)cc3)c21 14164003 YFKVIDFNQZRWNK-MRXNPFEDSA-N 333.818 5.315 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 14665271 QEXXZNKLGOTVJR-CQSZACIVSA-N 345.870 5.352 0 40 EKAB Cc1nc(CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)no1 57693866 ZSXFUUQEUGUILB-KRWDZBQOSA-N 330.840 5.054 0 40 EKAB CSc1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 71761769 VTGXCRQFHZBNKP-UHFFFAOYSA-N 326.849 5.010 0 40 EKAB COc1cc(C)c(C(=O)NCc2ccc3ccccc3c2)cc1C(C)C 222823865 BGMPDAMFLNXQQH-UHFFFAOYSA-N 347.458 5.210 0 40 EKAB C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 223189780 CDEDIQKPAKTPDE-KRWDZBQOSA-N 349.518 5.283 0 40 EKAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544153 SDJBTKZYWVBGSR-UHFFFAOYSA-N 341.426 5.065 0 40 EKAB CC(C)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408991854 RGRNAYRMZMKJCS-UHFFFAOYSA-N 338.476 5.456 0 40 EKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(F)cc1 194119 HYKMHRBJIQIDFC-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB O=C(Nc1ccccc1)c1cc(-c2ccccc2)nc2ccc(F)cc12 381028 YUZNBBOQSYQFHC-UHFFFAOYSA-N 342.373 5.293 0 40 EKAB CCc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1 531801 IGGKHCKAVCXXHO-UHFFFAOYSA-N 327.387 5.047 0 40 EKAB CCCN(CCC)[C@@H](C)[C@H](O)c1cc2c(c3ccccc13)CCCC2 1706392 BQHOCPDJYJKEBN-SBUREZEXSA-N 339.523 5.263 0 40 EKAB Cc1ccc(NC(=O)CSc2c(Cl)cccc2Cl)cc1 3424224 SMQQUZKWLMEIJL-UHFFFAOYSA-N 326.248 5.033 0 40 EKAB CCCCCCOc1ccc(C2CCC(CCCCC)CC2)cc1 3894668 TZWKTAUKRSYCCS-UHFFFAOYSA-N 330.556 7.500 0 40 EKAB c1ccc([C@@H]2Sc3ccccc3NC3=C2CCc2ccccc23)cc1 4187093 YKENHWMLSVKHJE-QHCPKHFHSA-N 341.479 6.303 0 40 EKAB COc1cccc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)c1 4667795 ARZVEDDBAKZOFX-OAHLLOKOSA-N 349.405 5.244 0 40 EKAB Cc1cc(C)c(NC(=O)C2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)c(C)c1 4697624 FWYWHXFRKQRPHK-ZUNRITQRSA-N 337.507 5.879 0 40 EKAB Fc1ccccc1NC(=S)Nc1ccc2c(c1)oc1ccccc12 4718790 RRWNDNXHMNYBOO-UHFFFAOYSA-N 336.391 5.534 0 40 EKAB Cc1cc(C)nc(/C=C/c2ccc(/C=C/c3cc(C)cc(C)n3)cc2)c1 5552680 NHFWLPKGJSKYHA-WGDLNXRISA-N 340.470 6.051 0 40 EKAB CCCCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 6264451 UZLUQSZWJDVMKC-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB CCCCCC(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1 9423597 POXBVLNMCUYCBJ-UHFFFAOYSA-N 343.814 5.062 0 40 EKAB CC(C)C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 12733142 YSMAPFHGSWGHFZ-OAQYLSRUSA-N 334.463 5.004 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 20455007 RRNNJHKNXGMWKX-AWEZNQCLSA-N 333.884 5.008 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 20489482 FHMHDENGVYAWOQ-QZTJIDSGSA-N 339.479 5.072 0 40 EKAB CC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1 22460389 QMZZWNOQNAUUBX-UHFFFAOYSA-N 338.410 5.527 0 40 EKAB CCn1c(C)cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1C 32754783 ZBIDZSYTOIZXAG-UHFFFAOYSA-N 333.435 5.121 0 40 EKAB Cc1cccc(C)c1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44837969 UYZFIKUVSSFSJN-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(Cl)c1 44900462 NPKWPHNNGWQXOM-INIZCTEOSA-N 338.234 5.098 0 40 EKAB CCN(CC)Cc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 91695648 LRJLWGHBXMHXRC-UHFFFAOYSA-N 342.792 5.263 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C)c1 225704397 VCUHOPLCCXFOML-FQEVSTJZSA-N 335.488 5.098 0 40 EKAB CC[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C)cc1C 225713718 JAJLFCMVQJXMQK-QGZVFWFLSA-N 332.900 5.395 0 40 EKAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1Cl 408589005 XUXKNFBUNGBLOR-UHFFFAOYSA-N 344.625 5.298 0 40 EKAB CCn1c(SCc2ccc(Br)cc2)nc2ccccc21 408692153 FOSQRCDRNFKKCB-UHFFFAOYSA-N 347.281 5.111 0 40 EKAB Cc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2c(Cl)cccc12 585267104 HUKMSYMJVILFIN-UHFFFAOYSA-N 334.202 5.003 0 40 EKAB Cc1cc2nc(SCc3ccc(F)c4ccccc34)[nH]c2cc1C 205695 OAZKMTNNFICYHM-UHFFFAOYSA-N 336.435 5.764 0 40 EKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 567784 JLRKXOWUHGBQEL-UHFFFAOYSA-N 336.460 5.494 0 40 EKAB CC(C)c1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 569323 CZMSMTJRJJCIHB-UHFFFAOYSA-N 330.840 5.325 0 40 EKAB CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccco1 5099754 QVMIJYCLDYXHRK-UHFFFAOYSA-N 341.480 5.148 0 40 EKAB O=C(OC/C=C/c1ccccc1)c1ccc(C2SCCS2)cc1 5585027 PMFKYMFXAWWSTC-QPJJXVBHSA-N 342.485 5.035 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(C)cc2)C1 5781404 IVHGRJLOIFPLRO-MRXNPFEDSA-N 349.261 5.139 0 40 EKAB biogenic C[C@@H](CN(CCNc1ccccc1)c1ccccc1)c1ccccc1 5929420 SZFCYPBEVUFYRF-FQEVSTJZSA-N 330.475 5.409 0 40 EKAB CCC1(CC)[C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1(C)C 6203031 VRWBOUIJDNCDQD-LJQANCHMSA-N 336.479 5.073 0 40 EKAB O=C(O)c1cc(/C=C/c2ccc(Cl)c(Cl)c2)nc2ccccc12 6536189 NLIOAMDYYHTQMY-FNORWQNLSA-N 344.197 5.410 0 40 EKAB CC(C)CC[C@@H](CCN1Cc2ccccc2C1)c1ccc(Cl)cc1 6670226 FCSQRVBHPNDDOS-IBGZPJMESA-N 341.926 6.266 0 40 EKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 6810665 XZBPNUMHEJPFBO-UHFFFAOYSA-N 339.822 5.084 0 40 EKAB Clc1ccc(Oc2cc(-c3ccccc3)c3ccccc3n2)cc1 6831357 GXDXXQAWHDIEBE-UHFFFAOYSA-N 331.802 6.348 0 40 EKAB C[C@@H](NCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 8534863 OKMHVJQCFCLXDA-SALMBKGGSA-N 348.328 5.144 0 40 EKAB CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 12733144 YSMAPFHGSWGHFZ-NRFANRHFSA-N 334.463 5.004 0 40 EKAB C[C@@H](NCc1cccc2cccnc12)c1cccc(C(F)(F)F)c1 23623003 PIAZXTFRLMRRHN-CYBMUJFWSA-N 330.353 5.104 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 59351494 LXEFQHKDMFSZJQ-QZTJIDSGSA-N 347.458 5.101 0 40 EKAB OC1=Nc2ccsc2[C@H](c2c(Cl)cccc2Cl)SC1 71281643 LGSNOJWFGNTPLW-ZDUSSCGKSA-N 330.261 5.479 0 40 EKAB CC(=O)OC/C=C(C)\C=C\C=C(C)/C=C\C1=C(C)CCCC1(C)C 87492913 QGNJRVVDBSJHIZ-AAROXGBTSA-N 328.496 6.081 0 40 EKAB CCCCC[Sn](Cl)(Cl)CCCCC 195771596 DGUPLUPXYGDCQP-UHFFFAOYSA-L 331.903 5.287 0 40 EKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1C(C)C 223262901 PRSLDUWVMBTURM-CQSZACIVSA-N 345.870 5.271 0 40 EKAB CC(C)C[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 225491720 RTCCKZIHROPHEQ-HXUWFJFHSA-N 340.536 5.884 0 40 EKAB Cc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225841123 PVUURPHHNCTDLU-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB CC(C)(C)N[PH](Cc1ccccc1)(NC(C)(C)C)c1ccccc1 301054515 YAASCEJYNKEOGB-UHFFFAOYSA-N 344.483 4.868 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 44766 RVQHDUKACRLEPB-CYBMUJFWSA-N 340.448 5.072 0 40 EKAB CCCCCCC(=O)C[C@H](SCCN)c1ccccc1Cl 1590148 YQQARFOSNBCVNM-KRWDZBQOSA-N 327.921 5.003 0 40 EKAB Cc1cc(C)c2c(n1)nn1c(Nc3ccc(C(C)C)cc3)cc(C)nc21 2215616 NZZCHAZLBRUXAL-UHFFFAOYSA-N 345.450 5.070 0 40 EKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(-c2ccccc2)cc1 2755684 CLTWQRLTBHXXFU-MRXNPFEDSA-N 345.417 5.474 0 40 EKAB CC(=O)Oc1cc(C)ccc1[C@@]1(C)CC(C)(C)c2ccc(C)cc2O1 3848535 WABRPPANVAWZOF-JOCHJYFZSA-N 338.447 5.204 0 40 EKAB biogenic O=c1c(Cc2ccc(Cl)cc2)cc2sccc2c2ccsc12 4478271 VYMJVYGOHJPCDV-UHFFFAOYSA-N 342.872 5.720 0 40 EKAB CC(=O)c1cccc2c1[C@H]1c3ccccc3[C@@H]2c2c(C(C)=O)cccc21 4530682 SQLOJZDKABMFSF-ZEQRLZLVSA-N 338.406 5.079 0 40 EKAB CC1Oc2ccc3ccc(cc3c2)Oc2ccc3ccc(cc3c2)O1 4825583 QGWIWFYYOXOHHV-UHFFFAOYSA-N 328.367 5.903 0 40 EKAB C(=C/c1nc2ccccc2s1)\c1ccc(CN2CCCCC2)cc1 4931325 LCXNNLPYYGLLOE-OUKQBFOZSA-N 334.488 5.453 0 40 EKAB c1ccc2cc(Sc3ncnc4c3oc3ccccc34)ccc2c1 5178887 IPTYCPZMKHBHIV-UHFFFAOYSA-N 328.396 5.680 0 40 EKAB Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 5619491 RMBIHTBLJPYDSM-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB Cc1csc(N(C(=O)c2c(F)cccc2Cl)c2ccccc2)n1 6648428 KTZGETTTYSKQLQ-UHFFFAOYSA-N 346.814 5.223 0 40 EKAB CC(C)CC[C@H](CCN1Cc2ccccc2C1)c1ccc(Cl)cc1 6670227 FCSQRVBHPNDDOS-LJQANCHMSA-N 341.926 6.266 0 40 EKAB Cc1occ(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cc1 6933316 XIAWPUJNZIYUNA-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(C(F)(F)F)cc1 7668948 UCQCANOUGSHRDM-UHFFFAOYSA-N 349.396 6.205 0 40 EKAB CCC[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 14904023 QJNGVAWIYOINJU-DNEZUFIXSA-N 346.555 5.375 0 40 EKAB biogenic C[C@@]12CC3CC(NC(=S)Nc4ccc(Cl)cc4)(C1)C[C@](C)(C3)C2 16605683 ODUIESNNBYYGMU-DFDFAMMDSA-N 348.943 5.375 0 40 EKAB O=C(CCc1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 18117234 YDFBDOBLLVNNKZ-UHFFFAOYSA-N 335.378 5.189 0 40 EKAB Cc1ccc(CN(C)C(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 30857296 GDASCEZQYJGMSU-HAVVHWLPSA-N 341.454 5.194 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3cccc(C)c3C)o2)cc1C 33027682 XLARGTZRNTZPQZ-UHFFFAOYSA-N 347.458 5.752 0 40 EKAB C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl 34910967 JSGCDAKRIPGQSF-BMEPFDOTSA-N 348.273 5.220 0 40 EKAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc2ccccc12 65523608 FRJOBRDMSJAYDK-NRFANRHFSA-N 330.431 5.517 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2ccccc2)cc1Cl 106971966 QQNITRWNQOOAIR-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CC(C)c1ccc(NC(=S)NCCSCc2ccccc2)cc1 225289233 RIJFUBHUTOSXDZ-UHFFFAOYSA-N 344.549 5.030 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 408905999 ACCRFDYJEWXHMH-DTQAZKPQSA-N 345.467 5.631 0 40 EKAB COc1ccc(/C=C/C(=O)N2c3ccc(C)cc3C(C)=CC2(C)C)cc1 198951 HYDNMGFRLWTNSZ-UKTHLTGXSA-N 347.458 5.246 0 40 EKAB Cc1ccc([C@H](CC(=O)c2ccco2)Sc2ccccc2N)cc1 239425 SQPXZQWQDSTMGX-FQEVSTJZSA-N 337.444 5.277 0 40 EKAB Cc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 271351 AXBCYWWWOHXFQZ-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB O=C(Nc1ccccc1F)c1cc(-c2cccs2)nc2ccccc12 426697 BGYGTPZYJXXVGM-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB BrC1(Br)[C@H]2CCCCC[C@]21c1ccccc1 494883 WCAGTIHPELSEOV-STQMWFEESA-N 344.090 5.004 0 40 EKAB CC(C)C(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 560871 KRJYYVWSPTWSKC-UHFFFAOYSA-N 346.257 5.835 0 40 EKAB COc1ccccc1N[C@H](c1ccncc1)c1c(C)[nH]c2ccccc12 1281081 YBOTVORSSASPST-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB COc1ccc(CSC2=Nc3cc(Cl)ccc3SCC2)cc1 1405534 YKDYDFPXIWEWGQ-UHFFFAOYSA-N 349.908 5.808 0 40 EKAB C[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 1532185 IFFPICMESYHZPQ-FQEVSTJZSA-N 329.487 5.429 0 40 EKAB biogenic,in-man O=C1OC(c2ccccc2)=CC1(Cc1ccccc1)Cc1ccccc1 1595930 BEUONKFGAAPQRM-UHFFFAOYSA-N 340.422 5.056 0 40 EKAB Cc1ccc(C(C)C)cc1OS(=O)(=O)c1c(C)c(C)cc(C)c1C 3337893 AYQXGQNHELTADX-UHFFFAOYSA-N 346.492 5.120 0 40 EKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(C)=CC[C@]4(C)[C@@H]3CC[C@]12C 3850022 OLUAAWREULLCHM-KAKDVIIHSA-N 330.512 5.517 0 40 EKAB O=C(Nc1ccc(-n2cccc2)cc1)c1ccc(Cl)cc1Cl 4049825 DXMSSAWMXXZIFK-UHFFFAOYSA-N 331.202 5.036 0 40 EKAB O=C(c1ccc(Cl)cc1)N1N=C2CCCC[C@@H]2C12CCCCC2 5944662 QMAZWGFWWGYZKR-INIZCTEOSA-N 330.859 5.045 0 40 EKAB Cc1cccc2sc(NC(=O)c3ccccc3-c3ccccc3)nc12 6852199 AZMNJSQPXFEWTP-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 8812538 GBZYYBPYAPMUPX-UHFFFAOYSA-N 342.439 5.466 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(Cl)c1C 11637279 DQSAHIDAMGYURW-SFHVURJKSA-N 331.843 5.061 0 40 EKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(F)cc(F)c1 17482609 FXXHOAKUMBJLFW-UHFFFAOYSA-N 336.552 5.177 0 40 EKAB C1=C([C@@H]2CCCc3cc4c(nc32)[C@@H](C2=CCCCC2)CCC4)CCCC1 17995762 SRAWZEJLBFCRCG-ZRZAMGCNSA-N 347.546 6.922 0 40 EKAB CCSc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 20482171 YCGRAISCTWKUGB-UHFFFAOYSA-N 349.883 5.086 0 40 EKAB CCCc1noc([C@@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)n1 58369068 JVGPIOIASXPCRU-CQSZACIVSA-N 348.450 5.323 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1 96580843 LFZWPQWMMSNBAT-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB C1=C[C@@H](c2ccccc2)N2[C@@H](C(c3ccccc3)=N1)[C@H]2c1ccccc1 104145778 JPUIYIOUQXRCMW-QNBLSIEGSA-N 336.438 5.170 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225704577 NCOHZYUNZXERPU-UWJYYQICSA-N 349.515 5.486 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225704695 JRKMOWWQXNSETF-NRFANRHFSA-N 349.515 5.344 0 40 EKAB CC(=O)N1c2c(C)cc(C)cc2-c2c(ssc2=S)C1(C)C 173845 DTTJZSUONJAPFA-UHFFFAOYSA-N 335.519 5.425 0 40 EKAB Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2ccccn12 427546 WYIMIEZNTGADTR-UHFFFAOYSA-N 333.822 5.707 0 40 EKAB O=C(C[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccccc1 1646500 OSSRQMGPHBRPHQ-DEOSSOPVSA-N 336.434 6.245 0 40 EKAB O=C(NCc1ccccc1Cl)c1cccc(Oc2ccccc2)c1 2637374 GYOSGRCCZYZGKP-UHFFFAOYSA-N 337.806 5.062 0 40 EKAB Cc1ccc2oc(C(=O)Nc3nc(-c4ccccc4)cs3)c(C)c2c1 4657308 DDUHCZWKNFWXPH-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)ccc1Cl 12978199 ZOEHASKOCHDJMZ-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB Cc1ccc(-c2cnn3c(Nc4ccc(Cl)cc4)cc(C)nc23)cc1 23114994 BKBFLSRSPIKBRK-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB CC[C@H]1c2ccsc2CCN1Cc1nc(-c2cccs2)oc1C 24097012 WVDQAZHCMBDYNB-HNNXBMFYSA-N 344.505 5.282 0 40 EKAB CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC)CC[C@H]12 45108152 IUWKNLFTJBHTSD-CSEOROSGSA-N 328.496 5.347 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1Cl 64982288 HZCHYNIZYQSEQL-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB COc1ccc2cc(C(=O)c3cc(Cl)ccc3Cl)ccc2c1 95917108 YJPVZSSONBSQFI-UHFFFAOYSA-N 331.198 5.386 0 40 EKAB O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2 226296427 FQXUUDYVYQBZBG-AREMUKBSSA-N 348.445 6.007 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 408566706 OMCLYDDAXMWWKG-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB O=C(NCC1CCCCC1)N1c2ccccc2Sc2ccccc21 100873 UIHLKGIFEICYEV-UHFFFAOYSA-N 338.476 5.579 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(Oc2ccccc2)c1 2636026 WWZGGKUFYYUGRF-UHFFFAOYSA-N 337.806 5.693 0 40 EKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 4854192 NVJGSGCNENBVHJ-GHTZIAJQSA-N 346.455 5.299 0 40 EKAB c1ccc(C(NCc2ccco2)(c2ccccc2)c2ccccc2)cc1 5515746 AIXHBIVSVNVLBR-UHFFFAOYSA-N 339.438 5.361 0 40 EKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 6252012 RMZWOEDBFDQUEJ-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB CSc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 6584985 SVTZVWPQGMVCLW-UHFFFAOYSA-N 333.456 5.257 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 10111763 UAAPIZMRDBYNIE-HOTGVXAUSA-N 341.520 5.342 0 40 EKAB CC(C)c1nc2ccccc2n1Cc1cccc(Oc2ccccc2)c1 12620250 BORGKJCSMPUEBV-UHFFFAOYSA-N 342.442 6.000 0 40 EKAB c1ccc([C@@H]2C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 13122676 KOZJZPGTYYNRAE-PZJWPPBQSA-N 325.415 5.183 0 40 EKAB Cc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(C)cs2)cc1 13570204 XXBOOGWHOYDIQK-MRXNPFEDSA-N 339.489 5.177 0 40 EKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCCCC1 13716908 HVWIFNXELGZNSD-UHFFFAOYSA-N 339.504 5.806 0 40 EKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 20458021 REZRFJHXKKPKNH-VGSWGCGISA-N 347.458 5.183 0 40 EKAB O=C(c1cc(-c2ccccc2)on1)N(c1ccccc1)c1ccccc1 27581195 HZFFGAQSRPWEDO-UHFFFAOYSA-N 340.382 5.320 0 40 EKAB O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@H]1c1cccs1 29797309 VGMIAWIXWPPMFV-ZDUSSCGKSA-N 331.824 5.125 0 40 EKAB CC(C)COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 36640204 JYBMZIPKAGABHG-HIUFNZKISA-N 326.480 5.147 0 40 EKAB Cc1ccc(NCCC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 55142456 ARKZNYPRJXZJEB-UHFFFAOYSA-N 331.887 5.236 0 40 EKAB O=C(Nc1ccccc1Cl)N[C@@H](c1ccsc1)c1cccs1 390827216 VBPBEXFGTKHTCC-HNNXBMFYSA-N 348.880 5.374 0 40 EKAB CC(C)c1c(C2CC2)[nH]c2ccc(SC(F)(F)F)cc2c1=O 685938008 RVMYGGLJHVRMGS-UHFFFAOYSA-N 327.371 5.141 0 40 EKAB Cc1ccc(-n2c(-c3ccc4[nH]c(C)c(C)c4c3)n[nH]c2=S)cc1 221552 BGVNNXRUWOADEN-UHFFFAOYSA-N 334.448 5.003 0 40 EKAB CCCCCN(CCCCC)[C@@H](C)[C@H](O)c1ccc(Cl)cc1 1700101 UAXZYFISZISZAZ-LPHOPBHVSA-N 325.924 5.444 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(Cl)cc1 3295843 DRMRZJCCKPSYSI-UHFFFAOYSA-N 348.899 5.455 0 40 EKAB Cc1cc(C(c2ccc(O)cc2)c2cc(C)c(O)cc2C)c(C)cc1O 4714380 PFYOKZAFMIWTQL-UHFFFAOYSA-N 348.442 5.217 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 5427145 OMUMQXPIWUEEEG-YHLCIKGPSA-N 330.556 6.881 0 40 EKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N=C(C)C3=C(O)C2)cc1 6077361 VBSYJUVVWAZUQP-OAHLLOKOSA-N 332.403 5.263 0 40 EKAB CCCN(CCC)CC[C@@H](O)c1cc2c(c3ccccc13)CCCC2 6380162 XASXMEKXZPGFQK-HSZRJFAPSA-N 339.523 5.264 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709250 MZSMSQSQQBPIDA-INIZCTEOSA-N 333.431 5.117 0 40 EKAB CC(C)CCC[C@H](C)CO[PH](=O)OC[C@H](C)CCCC(C)C 17023633 DCIMMEMPVRKHKG-HDICACEKSA-N 334.481 6.334 0 40 EKAB Oc1ccccc1-c1nc(Nc2ccc(F)c(F)c2)c2ccccc2n1 18166967 ROVPLIWILKOYPT-UHFFFAOYSA-N 349.340 5.024 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 20108371 DBPNSSLJBOJWHX-UONOGXRCSA-N 333.884 5.006 0 40 EKAB Cc1ccc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)cc1 35616185 HVKFWUMLTUKDEW-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)nc3cccc(C)n23)c1 35616276 QLCRMOCRVGNBHR-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(C)cc3)c2c1 46086255 NZAWRWNPLNTVLW-UHFFFAOYSA-N 337.419 5.481 0 40 EKAB Clc1ccc2oc(-c3ccc(Br)c(Cl)c3)nc2c1 57351620 JQTKRZNGQMDAMM-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB CCCCc1ccc2nc(Nc3nc4cc(C)ccc4o3)sc2c1 57352889 RHTDDCJFBBCPTQ-UHFFFAOYSA-N 337.448 5.832 0 40 EKAB Cc1ccc(-c2nnc([C@H](C)Sc3ccnc4ccccc34)o2)cc1 65562484 VGPDHILIXOKCQM-AWEZNQCLSA-N 347.443 5.447 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(Cl)c1 223006142 RJEWXWCAZPAMMY-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C 223399152 NQQALHDSQQAGJW-ZWKOTPCHSA-N 341.520 5.111 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1Cl 225369056 GWSXODBSGKWYMZ-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)[C@H](CC)c3ccccc3)cc2)cc1 575359068 QQGPPDMZBAXVOF-XMMPIXPASA-N 342.482 6.683 0 40 EKAB CC(=O)c1cc2c(cc1C)[C@H](C)CC(C)(C)N2C(=O)c1ccccc1 618257108 RGEJXGJASMDOHO-OAHLLOKOSA-N 335.447 5.130 0 40 EKAB COc1ccccc1NC(=O)c1sc2cc(C)ccc2c1Cl 185986 REEDFDSAFBFJGS-UHFFFAOYSA-N 331.824 5.124 0 40 EKAB Cc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)c(C)cc2c1 411987 POIFUVPFDWBWRD-UHFFFAOYSA-N 341.863 5.480 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)CCC3CCCC3)ccc21 2069564 XBQLANPHPDSFNU-UHFFFAOYSA-N 334.463 5.723 0 40 EKAB COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 3515832 VJSJVQWZCKQZCL-UHFFFAOYSA-N 344.720 5.011 0 40 EKAB CC(C)CC[C@@H](CCNCc1cccs1)[C@@H]1CCOC(C)(C)C1 5205122 ANGFVBLURPTQHP-ZWKOTPCHSA-N 337.573 5.485 0 40 EKAB Clc1cccc(Cl)c1CSc1nc2ccccc2s1 7994944 OJSYUWVYWILDOJ-UHFFFAOYSA-N 326.273 5.895 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2ccccc12 12754158 JKNOOMUKPLBAGG-UHFFFAOYSA-N 336.822 5.326 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 22509001 SLSPUDNFDOGQDX-INIZCTEOSA-N 343.492 5.130 0 40 EKAB OC1=NC(=S)S/C1=C\c1ccc(-c2ccccc2Cl)s1 23077859 WZQLLILBGTYAII-GHXNOFRVSA-N 337.878 5.398 0 40 EKAB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc[nH]c1=S 30182430 XCCBBMMYHOFXDB-UHFFFAOYSA-N 330.478 5.031 0 40 EKAB Oc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 75109549 GZQQPSHZLTZXSF-UHFFFAOYSA-N 331.802 5.928 0 40 EKAB CCC[C@@H](C)Oc1ccc2c(c1)c(C=O)c(C)n2Cc1ccccc1 217772106 KHVJOOVKLZPNHU-MRXNPFEDSA-N 335.447 5.378 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)CCc1ccc(Cl)cc1Cl 225368895 MRPXXRMPUOMGCW-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1Cl 225492751 GFSCKJGELGBCFN-SFHVURJKSA-N 346.927 5.722 0 40 EKAB COC(=O)c1ccc(CN2c3ccc(Cl)cc3[C@H](C)CC2(C)C)o1 260619449 LXUPAEPZLVABSD-GFCCVEGCSA-N 347.842 5.012 0 40 EKAB Cc1cccc2sc(NC(=O)c3ccc(Cl)c(Cl)c3)nc12 253362 KNDDIYIEFCZVJW-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB Cc1ccc2nc(-c3cccc(Cl)c3)c(Nc3ccccc3C)n2c1 427549 ONROJFGIZBBFSK-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB Cc1cc2oc(=O)cc(-c3oc4ccc(Cl)cc4c3C)c2cc1C 491222 JVVQTEBZNYJSFR-UHFFFAOYSA-N 338.790 5.785 0 40 EKAB biogenic CC[C@H](c1ccc(N2CCCC2)cc1)[C@@H](CC)c1ccc(OC)cc1 1705977 RIQJODRBNMKMRH-PKTZIBPZSA-N 337.507 5.983 0 40 EKAB CCCc1cc(=O)oc2cc(C)c3c(-c4ccccc4)c(C)oc3c12 2146739 XGZSTYFAJYMLJD-UHFFFAOYSA-N 332.399 5.776 0 40 EKAB biogenic CCCCc1cc(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 2326255 BMGHKHOKTAZUSV-UHFFFAOYSA-N 336.362 5.688 0 40 EKAB CC(C)c1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1 2345929 PDFCKZPFZQBPNK-UHFFFAOYSA-N 344.483 6.596 0 40 EKAB CC(C)[C@@H](C(=O)N[C@H](c1ccccc1)C1CCCC1)c1ccccc1 4994546 USTOLXCFVDJPMI-FGZHOGPDSA-N 335.491 5.474 0 40 EKAB COc1cccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c1 5186751 JPJQKHGGQKIEGI-QFIPXVFZSA-N 328.415 5.051 0 40 EKAB Sc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccccc1 6190502 OPMNWJPPCZDZHP-UHFFFAOYSA-N 343.864 5.091 0 40 EKAB c1ccc(-c2ccc(-c3cs/c(=N\C4=NCCCCC4)[nH]3)cc2)cc1 6454419 KFWIJEVFXVUREZ-UHFFFAOYSA-N 347.487 5.283 0 40 EKAB Cc1ccc2c(c1)-c1nc3ccccc3c(-c3ccccc3)c1CCO2 6507657 XMRZOIOBEONSMR-UHFFFAOYSA-N 337.422 5.812 0 40 EKAB O=C(CCC(=O)c1cccs1)Nc1ccc2oc3ccccc3c2c1 8407098 XPRQMZNNXAKKFM-UHFFFAOYSA-N 349.411 5.249 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 8558459 XAJBPUIBFWTAJF-UHFFFAOYSA-N 339.382 5.458 0 40 EKAB CCOc1ccc(NC(=O)CCc2ccc(-c3ccc(C)cc3)o2)cc1 11690419 OCVVRZVSYWDCAX-UHFFFAOYSA-N 349.430 5.225 0 40 EKAB CCC[C@]1(O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C(C)C 13751294 VKZWRJPZKYCXEQ-LDVJMBRRSA-N 337.507 5.266 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1Cl 58839964 UFWHSNRQHWTXRW-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Clc1cc(Cl)c2oc(-c3cccc(Br)c3)nc2c1 73639098 YAVKXEMGRIJYOZ-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB CN1[C@H]2CC[C@@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 100322725 OCAXFDULERPAJM-WOZUAGRISA-N 341.882 5.071 0 40 EKAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 113951983 PPHMZGQSSMWVSJ-OAQYLSRUSA-N 349.430 5.035 0 40 EKAB Cc1ccc(S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 225086679 MZPQWODLDWJVKP-OAHLLOKOSA-N 341.259 5.090 0 40 EKAB CCc1ccc(CC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 225149615 NVKRCNXKADAPRU-UHFFFAOYSA-N 329.399 5.330 0 40 EKAB COc1ccc(CCC(=O)Nc2c(C)cccc2C(C)C)cc1C 225428587 LORDRZBJITZRPF-UHFFFAOYSA-N 325.452 5.007 0 40 EKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2c(ccc3ccccc32)o1 408614578 DWGCYJLMYUVUGY-UHFFFAOYSA-N 339.753 5.631 0 40 EKAB CCCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 409107298 ONHBWIRRWBJCBH-UHFFFAOYSA-N 329.856 5.090 0 40 EKAB CC[C@@H](C(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 575360362 CAYILWSAURKCDV-CYBMUJFWSA-N 326.745 5.735 0 40 EKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 533899 LTCWUJHDXKBMMN-UHFFFAOYSA-N 328.419 5.070 0 40 EKAB CC[C@H](C)n1c(-c2ccccc2Cl)nc2nc3ccccc3nc21 545550 HTLLHLCXSGSPDG-LBPRGKRZSA-N 336.826 5.271 0 40 EKAB Clc1ccc(SCc2nnc(-c3ccc(Cl)cc3)o2)cc1 2618577 MQHMTBRYHZYUQK-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB Cc1ccc(-c2nc3ccc(Cl)cc3nc2-c2ccc(C)cc2)cc1 2950581 OSJMAGJCTKTIGZ-UHFFFAOYSA-N 344.845 6.234 0 40 EKAB CC(C)CC[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21 4081514 UTVHKWOEPSNUME-UHFFFAOYSA-N 327.451 5.389 0 40 EKAB CC(C)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 4545274 PNSYGTPWZZAVSV-UHFFFAOYSA-N 339.822 5.976 0 40 EKAB N[C@@H]1[C@H](c2ccccc2)[C@H](c2ccccc2)CC[C@@H]1c1ccccc1 4782893 LIMBBOCCFYASJS-KEZOAJOQSA-N 327.471 5.459 0 40 EKAB C[C@@H](NCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 8534873 IXAUNEDMELJMMM-XUXNNNHQSA-N 338.322 5.688 0 40 EKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc2cnccc12 12904273 OISTUDOOUOWNLD-UHFFFAOYSA-N 338.410 5.083 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(C)cc1 20047180 QMTDVGSDRHMZGB-WOJBJXKFSA-N 339.479 5.037 0 40 EKAB CCCCC/C(=C\c1ccccc1)[C@H]1OCC(C)(C)[C@H](C(C)C)O1 38194689 PPSVGIOXFWDWGG-HAEKXNGDSA-N 330.512 6.074 0 40 EKAB COC(=O)c1cc(Nc2ccc(C(C)C)cc2)c2cc(C)ccc2n1 38486806 HARKPVOAEQZTSZ-UHFFFAOYSA-N 334.419 5.197 0 40 EKAB CCCCCc1ccc(C(=O)c2ccccc2Br)cc1 43210211 RSRDVAHWFCBGQG-UHFFFAOYSA-N 331.253 5.413 0 40 EKAB C[C@@H](N[C@H](C)c1ccc(-c2ccccc2F)s1)c1ccncc1 95967100 HYAFICGCVNBABQ-ZIAGYGMSSA-N 326.440 5.361 0 40 EKAB CC(C)Oc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1 225943150 DNWSRONCENDMMY-UHFFFAOYSA-N 345.870 5.335 0 40 EKAB COc1cc(/C=C/c2ccccc2)ccc1OC(=O)c1cccs1 118471 KCVMKJPHFUMNNL-MDZDMXLPSA-N 336.412 5.146 0 40 EKAB CCOc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)cc1 241329 GNCICPZAUMGREG-UHFFFAOYSA-N 348.446 5.084 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 365132 LPKVYIWZICLWAU-KRWDZBQOSA-N 339.479 5.648 0 40 EKAB COc1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc1 1572786 KBNPJLAIRDJCEU-UHFFFAOYSA-N 340.507 5.890 0 40 EKAB Cc1sc2ncnc(Nc3ccc(O)cc3)c2c1-c1ccccc1 1915551 ZLWJFYDALJKDHT-UHFFFAOYSA-N 333.416 5.116 0 40 EKAB CC(C)c1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 2298241 CIYSKMWPYWCMEO-STZFKDTASA-N 341.410 5.308 0 40 EKAB Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1 2521619 MTCPZNVSDFCBBE-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB in-vitro Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1Cl 3455895 MWIOQIMILRMDLG-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4026571 NOSSBHBMUGGCBX-KEAUJAQMSA-N 342.523 5.360 0 40 EKAB biogenic Cc1ccc(C2N=C(c3ccccc3)SC(c3ccccc3)=N2)cc1 4060222 VQSYHTCXMKMWLY-UHFFFAOYSA-N 342.467 5.634 0 40 EKAB CCCCCC1CCC(C(=O)Oc2ccc(OC(F)F)cc2)CC1 4891650 FBQSBGODJVAKNP-UHFFFAOYSA-N 340.410 5.580 0 40 EKAB Cc1ccc(CNc2ccc(NC(=O)c3ccccc3C)cc2)s1 4935175 JFRVTRRJOZSADY-UHFFFAOYSA-N 336.460 5.229 0 40 EKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NC1CCCCC1 5958485 LCIIFFWYROBCCQ-UHFFFAOYSA-N 346.858 5.118 0 40 EKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1-c1cccs1 12613905 CQVFEHRBHBYDAM-UHFFFAOYSA-N 332.428 5.078 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 14577214 OKUPFBYMPQOKFC-FQEVSTJZSA-N 335.834 5.168 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1)c1ccccc1 20111078 MWBNUPRZYNIJJJ-FCHUYYIVSA-N 347.458 5.265 0 40 EKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2cccc3ccccc23)cc1 35671911 NNOGADPQGSEIIU-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB C[C@@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccccc1F 40067838 BQFJOPHDNQRNFF-ZIAGYGMSSA-N 340.398 5.036 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 59351497 LXEFQHKDMFSZJQ-MSOLQXFVSA-N 347.458 5.101 0 40 EKAB Cc1cc(Br)c2oc(-c3ccc4ccccc4c3)nc2c1 73639221 HMERQCMUXOXRKV-UHFFFAOYSA-N 338.204 5.719 0 40 EKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCC 106956505 HRDBCCOWDZVDDX-UHFFFAOYSA-N 333.859 5.366 0 40 EKAB C/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914884 FGSFYZNXYHDZKI-IQLNNKPPSA-N 344.539 5.907 0 40 EKAB COc1c(Cl)cc(-c2nc3cc(Cl)ccc3o2)cc1Cl 216734951 JNEYCTFQXBQAEX-UHFFFAOYSA-N 328.582 5.464 0 40 EKAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1 225661207 GJHKQFHJNSODGN-UWJYYQICSA-N 347.499 5.180 0 40 EKAB C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 253498006 ZWJSLCYDYKYAGX-SBRBFUJMSA-N 346.599 6.444 0 40 EKAB COc1cc(C)c(/C=C2\Sc3ccccc3NC2=O)cc1C(C)C 409105101 GIDPICZMBZHLGP-ODLFYWEKSA-N 339.460 5.212 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(Cl)c1)c1cccnc1 75379 DBMSBUOCGOXFCQ-NRFANRHFSA-N 347.849 5.726 0 40 EKAB COc1ccc(OC)c2nc(-c3ccc(-c4ccccc4)cc3)ccc12 1395335 YNRQCASCMBHXME-UHFFFAOYSA-N 341.410 5.586 0 40 EKAB Clc1ccc(Oc2nc3c(Cl)cccc3s2)cc1Cl 1745539 WVZBHTIDWMGRPP-UHFFFAOYSA-N 330.623 6.049 0 40 EKAB O=c1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)o1 2375408 AAHONVDCGZABPF-UHFFFAOYSA-N 325.367 5.036 0 40 EKAB Cc1nc(C)c(-c2ccc(SCc3cccc(Cl)c3)nn2)s1 4392279 TVVDSEXYYOAOMK-UHFFFAOYSA-N 347.896 5.163 0 40 EKAB Clc1ccccc1-c1ccc(/C=C/c2nc3ccccc3s2)o1 4603189 YAHOXBRDKVIFOI-ZRDIBKRKSA-N 337.831 6.380 0 40 EKAB C[C@@H](c1ccccc1)C(OCc1ccccc1)OCc1ccccc1 5763362 YIIUYHJXMOVGGY-IBGZPJMESA-N 332.443 5.550 0 40 EKAB Cc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)c(C)c1 6340273 ZUKKQXPFEYSLDG-UHFFFAOYSA-N 333.884 5.468 0 40 EKAB CCc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@@H]32)cc1 6943661 PPUJWEHSFVYSPQ-WFXMLNOXSA-N 333.431 5.082 0 40 EKAB COc1ccc2c(-c3ccccc3)cc(NCc3ccccc3)nc2c1 8324093 QJRQXFOTGXRKPC-UHFFFAOYSA-N 340.426 5.523 0 40 EKAB Clc1cc(CNCc2ccccc2)ccc1OCc1ccccc1 10436504 XLTTTZKFQPSVCD-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB O=C(CCSCc1ccccc1)Nc1ccccc1-c1ccccc1 10502104 PEEMUAGBWJXLIC-UHFFFAOYSA-N 347.483 5.616 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 19931569 ZMJAUILAEYBNHI-DYVFJYSZSA-N 333.884 5.088 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 22523226 LFKAXQWVFVXHPK-LJQANCHMSA-N 339.822 5.289 0 40 EKAB Cc1cc(S[C@H](C)c2nc(C(C)(C)C)no2)nc2ccccc12 24045148 FJNYQSPGUBHLSG-GFCCVEGCSA-N 327.453 5.077 0 40 EKAB CC(C)(C)[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccs1 58404293 CKJTVMLTVQSNKF-CQSZACIVSA-N 342.386 5.074 0 40 EKAB FC(F)(F)/C(=C\c1ccc2ccccc2n1)c1nc2ccccc2[nH]1 59488914 YJVUHLDIKOPXFH-KAMYIIQDSA-N 339.320 5.214 0 40 EKAB C[C@H]1CC2=Nc3ccccc3N[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102602410 UIHUSGZBYAYCKS-YBTHPKLGSA-N 340.373 5.446 0 40 EKAB Fc1c(F)c(F)c(-c2nc3ccc(Cl)cc3s2)c(F)c1F 216749667 XGTREDASYMBHAT-UHFFFAOYSA-N 335.684 5.312 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1cccc2ccccc12 224455451 IVOQWTOIHNMFPA-PXNSSMCTSA-N 341.495 5.330 0 40 EKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(OC)CCCCCC2)cc1C 225632375 LKDJRFKYUMIGSM-KRWDZBQOSA-N 347.499 5.159 0 40 EKAB CCO[C@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225718149 KNYFPYDYZRMRLT-QVKFZJNVSA-N 347.499 5.015 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1C 225739918 SGBSZENEKWHPFE-HXUWFJFHSA-N 335.488 5.098 0 40 EKAB Cc1cc(C)c2c(c1)N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 248328993 CQIDVBWOHPMBLT-RGBOINFLSA-N 347.458 5.298 0 40 EKAB CC[C@H](C(=O)c1sc2ccc(Cl)cc2c1C)c1ccccc1 575362262 QHYWZLKUZGDGBY-HNNXBMFYSA-N 328.864 6.240 0 40 EKAB CC(C)(C)c1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 166918 IHJDCVOXUAIONS-UHFFFAOYSA-N 341.213 5.077 0 40 EKAB c1ccc([C@@H]2[C@@H]3CCCC[C@]3(N3CCCC3)ON2c2ccccc2)cc1 4671107 SQSXAQLOKCEYPF-ZRBLBEILSA-N 348.490 5.162 0 40 EKAB Cc1cc(OCC(=O)Nc2ccccc2C(C)(C)C)cc(C)c1Cl 4828013 VCHZHEHDRCMXHY-UHFFFAOYSA-N 345.870 5.272 0 40 EKAB CCCCCCc1c(C)c2ccc(OCC=C(C)C)cc2oc1=O 5548424 FCSCXRGHPKHIBG-UHFFFAOYSA-N 328.452 5.569 0 40 EKAB biogenic CCc1nc(SCc2ccccc2F)c2oc3ccccc3c2n1 5561227 BBOQFAMEWXPSKD-UHFFFAOYSA-N 338.407 5.370 0 40 EKAB Cc1ccc(C)c(N(CC(=O)c2cccs2)C2=NCCCCC2)c1 8410771 HZQMJWCMEPAIOL-UHFFFAOYSA-N 340.492 5.027 0 40 EKAB CCCCc1ccc2nc(C)c(CN(CCC)CCC)c(O)c2c1 8717211 FKGUFPWBSFYNLK-UHFFFAOYSA-N 328.500 5.213 0 40 EKAB Cc1ccc([C@H](Nc2ncnc3ccsc23)c2cccs2)cc1 12895252 OCPMQSSCZUNIBE-INIZCTEOSA-N 337.473 5.263 0 40 EKAB Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)nc1 12934383 AIDFUQZHEASRRD-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB O=C(Nc1ccccc1SCc1ccsc1)C1CCCCC1 27819811 AKNPLNGKYVPHOF-UHFFFAOYSA-N 331.506 5.559 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2Cl)c(C)c1 30865566 GYZOEAUDLMNGCK-OAHLLOKOSA-N 347.911 5.067 0 40 EKAB CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 223142150 IZKKPPHVIIZIAQ-HXUWFJFHSA-N 341.882 5.029 0 40 EKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)C2CCCC2)c1 225538885 KBRXLTDAQYVKPF-UHFFFAOYSA-N 345.826 5.270 0 40 EKAB Nc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 226348844 KBBOSLZHHDXJDR-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB CSc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 408705827 OEFHOLFASFUDKR-CYBMUJFWSA-N 349.883 5.085 0 40 EKAB O=C(c1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21 69173 PANHGSDBNVBDSH-UHFFFAOYSA-N 337.831 5.783 0 40 EKAB biogenic Cc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1 1389011 SMZNGPNGQZVFPT-UHFFFAOYSA-N 331.444 5.030 0 40 EKAB CCCCc1ccc(NC(=S)Nc2ccc(CCCC)cc2)cc1 3765094 YWLKYPUCVSNTPX-UHFFFAOYSA-N 340.536 6.181 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 5951227 PQVVGGKXOKWMDT-UHFFFAOYSA-N 331.843 5.551 0 40 EKAB CC(C)[C@@H](C(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1 6376309 NHQLEONRROZXDN-CQSZACIVSA-N 341.760 5.136 0 40 EKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1 6788919 BWFKAFORVAOFTD-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB O=C(Nc1ccc(SC(F)F)cc1)Nc1ccccc1Cl 6939520 BFLKXANCRHRZDA-UHFFFAOYSA-N 328.771 5.299 0 40 EKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1F 17482561 CBNYYYIVCBFYGH-UHFFFAOYSA-N 336.552 5.177 0 40 EKAB Oc1ccc(-c2c/c(=N\c3ccccc3)c3cc(F)ccc3o2)cc1 28294287 XKKMKCXALRDNIH-FCDQGJHFSA-N 331.346 5.177 0 40 EKAB CCCCc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 32611707 GRXPNFNQOPCKGN-UHFFFAOYSA-N 347.462 5.084 0 40 EKAB O=C(CSc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 33653868 UOAQOWPHLGJTMJ-UHFFFAOYSA-N 345.876 5.439 0 40 EKAB Cc1ccccc1OCCCn1c(C2CCCCC2)nc2ccccc21 39907788 MHJLRCDYRFYNKM-UHFFFAOYSA-N 348.490 5.862 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 44899978 BLTSPFORFJXHSM-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CCc1ccc(NCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 59461474 KGPXZKNRHKYMHS-UHFFFAOYSA-N 327.427 5.115 0 40 EKAB CCCCC/C=C/C/C=C/C=C/C=C\[C@@H]1O[C@H]1CCCC(=O)OC 223647810 WTKAVFHPLJFCMZ-CWQXLODJSA-N 332.484 5.292 0 40 EKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)CC(C)(C)C 225106905 NAMIEGQBVHUPTR-LJQANCHMSA-N 345.527 5.054 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C)cc(C)cc1C 408677223 AUHTZDOEOVIAMZ-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB Cc1ccc(-n2c(C)nnc2SCc2cccc(Cl)c2)cc1C 409105852 LMHULEYQULBPEL-UHFFFAOYSA-N 343.883 5.138 0 40 EKAB CC(C)N(CCOc1ccccc1Oc1cccc(Cl)c1)C(C)C 585266217 PNTLBLGNQLOFCP-UHFFFAOYSA-N 347.886 5.630 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 31498 MLADDSYTCKVRIR-AWEZNQCLSA-N 347.911 5.725 0 40 EKAB Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 59671 YXMFBWYRZZVABQ-UHFFFAOYSA-N 330.818 6.064 0 40 EKAB Clc1cccc(Cl)c1Nc1nc2c(s1)CCc1ccccc1-2 408984 DOGGWGQAUKCGLN-UHFFFAOYSA-N 347.270 5.959 0 40 EKAB CCC(CC)C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C 506143 WZIAJJLOPZTIHB-OXJNMPFZSA-N 336.479 5.401 0 40 EKAB Cc1ccc(-c2csc(N(C)C(=O)c3cccc(Cl)c3)n2)cc1 932646 FGIZPSFUDLFNQR-UHFFFAOYSA-N 342.851 5.049 0 40 EKAB CCOC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1F 3379119 XFJBZOSOIFHYPN-UHFFFAOYSA-N 343.785 5.179 0 40 EKAB C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1ccc(F)cc1 3429308 LENIUSLZPYXUEY-CQSZACIVSA-N 344.393 5.004 0 40 EKAB O=C(Cn1ccc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 4608516 ZQDPADWPYIRFFJ-UHFFFAOYSA-N 342.398 5.072 0 40 EKAB Cc1cccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 5460550 JODARZCEMDAPQP-IFMALSPDSA-N 339.442 5.491 0 40 EKAB CC(C)(C)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 6214641 NZSZVJZOIRJBON-UHFFFAOYSA-N 343.879 6.105 0 40 EKAB Clc1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1 7524595 ZZYXNGZHQFEBRW-UHFFFAOYSA-N 332.230 5.543 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1C 14035475 LGUWOKQOZITHPR-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1ccc(-n2ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)cc1 20632937 UYLPANLWNSZBPA-IBGZPJMESA-N 344.458 5.217 0 40 EKAB c1ccc(-c2nc(-c3ccco3)c(-c3ccco3)c3c2CCC3)nc1 26897042 VUGSKVBQLOMZFK-UHFFFAOYSA-N 328.371 5.152 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(C)C 30851370 LIKDAJOSHSGVQU-IBGZPJMESA-N 325.452 5.223 0 40 EKAB FC(F)(F)[C@@H]1CCC[C@@H](NCc2cccc(OC3CCCC3)c2)C1 84374539 IRXJISAZLYFBEI-HZPDHXFCSA-N 341.417 5.219 0 40 EKAB Cc1ccc(/N=c2/cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 101218241 SVNQTOHVIQOSHR-GFMRDNFCSA-N 345.829 6.294 0 40 EKAB CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118926412 LOCMUFRTSWBCQZ-VEYVBMQYSA-N 330.512 5.231 0 40 EKAB CC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(C)c(C)c1 225709489 YCZBQDFFGLGWSN-INIZCTEOSA-N 332.900 5.395 0 40 EKAB Cc1cccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 225762908 GGXURHRKYBELJM-LJQANCHMSA-N 326.509 5.296 0 40 EKAB Cc1ccccc1Oc1ccc(NC(=S)NCc2ccccc2)cc1 408588882 ZWOAUMSUNKBXCO-UHFFFAOYSA-N 348.471 5.274 0 40 EKAB Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1sccc1C 381898 GGPQHKDDEJTBIL-IBGZPJMESA-N 334.444 5.136 0 40 EKAB O=C(O)/C(=C(/c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 1570039 BKHHENUGTSTIAX-VXPUYCOJSA-N 334.802 5.384 0 40 EKAB CN(C)c1ccc([C@H]2C=C(c3ccccc3)Oc3ccccc32)cc1 4707261 KNYFYRPVGUJRFK-OAQYLSRUSA-N 327.427 5.318 0 40 EKAB Nc1ccc2nc(Sc3nc4c(Cl)cccc4s3)sc2c1 5338194 FVQJCUGHPVIIJW-UHFFFAOYSA-N 349.893 5.293 0 40 EKAB OC[C@H](O)COCCCCCCCCCCCCC[C@@H]1C=CCC1 5600225 NDGBSIABANLBIW-RTWAWAEBSA-N 340.548 5.004 0 40 EKAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 6286828 WIHJKOZYYMWDKT-MMVUMSBSSA-N 343.898 5.074 0 40 EKAB O=c1sc2c(s1)S[C@@H]1CCCCCCCCCC[C@@H]1S2 12363306 KTNLYTIAKNOAJY-TXEJJXNPSA-N 346.608 6.019 0 40 EKAB Cc1cc(Br)ccc1NCc1cccc2ccccc12 20565223 BBVKGCJVYRJUMX-UHFFFAOYSA-N 326.237 5.523 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1)c1ccccc1 30752330 WACWOYZAQPFHFK-ZWKOTPCHSA-N 347.911 5.478 0 40 EKAB CCOc1cccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)c1 30851910 SPJZWVRNYABYOD-QGZVFWFLSA-N 349.883 5.248 0 40 EKAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2ccc(C)cc2C)c1 38753964 VVPIHPCJQFCJOC-GOSISDBHSA-N 341.520 5.031 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(C)c1 38754686 OEFIHUCPCYREPV-QGZVFWFLSA-N 333.884 5.466 0 40 EKAB FC(F)(F)c1cnc(/C=C/Nc2cccc(Cl)c2)c(Cl)c1 100324228 FQHBXEASGPJMMU-SNAWJCMRSA-N 333.140 5.490 0 40 EKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1c1cccc(Cl)c1 210199664 KSTOZNKCSSQEGM-MBXCTOFRSA-N 341.819 5.137 0 40 EKAB CC[C@@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1C 225668935 YFIUKLUBMNCXPH-HXUWFJFHSA-N 339.479 5.317 0 40 EKAB O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 408601954 MJEWZRRIGGWDLX-UVTDQMKNSA-N 339.753 5.232 0 40 EKAB Clc1cccc(-c2ccc(-c3nc4ccccc4s3)o2)c1Cl 409190333 XAVCCCLYHFJOAH-UHFFFAOYSA-N 346.238 6.530 0 40 EKAB Cc1ccc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)cc1 1463127 ZPHRAINXQDMKNC-JOCHJYFZSA-N 327.431 5.381 0 40 EKAB Cc1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3215557 SYULSDFJBZSHRQ-UHFFFAOYSA-N 330.362 5.537 0 40 EKAB N[C@H]1[C@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@H]1c1ccccc1 4782895 LIMBBOCCFYASJS-XQUALCHDSA-N 327.471 5.459 0 40 EKAB c1ccc(C(Sc2nncn2-c2ccccc2)c2ccccc2)cc1 5621810 NAPTVVQHYSVGAG-UHFFFAOYSA-N 343.455 5.149 0 40 EKAB C[C@H]1CCc2nc3sc4c(c3c(-c3cccs3)c2C1)CCCC4 12610106 SZNORLZIKIBFKM-LBPRGKRZSA-N 339.529 6.028 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1 14784518 KJUFCIMJNCPGSQ-UHFFFAOYSA-N 335.017 5.553 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c(C)c1 15651987 UMAPUTAZIDHTRJ-CYBMUJFWSA-N 342.489 5.032 0 40 EKAB CC[C@@H](C)Oc1cccc(NC[C@@H](C)Oc2ccccc2Cl)c1 19737554 XMRCLSBCRDCUIQ-HUUCEWRRSA-N 333.859 5.397 0 40 EKAB c1csc(-c2cc(CSC3=Nc4ccccc4CS3)no2)c1 22022310 GMVXMZLKRJZOHC-UHFFFAOYSA-N 344.486 5.571 0 40 EKAB Cc1ccc(Nc2ncccc2C(=O)Nc2ccc(C(C)C)cc2)cc1 22072965 FSHNEEGROUOETD-UHFFFAOYSA-N 345.446 5.509 0 40 EKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc(F)c(F)cc1Cl 24870305 QCKHVUNEOHVJIU-UHFFFAOYSA-N 343.760 5.122 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 45671641 KJBXLLCSGSSGBC-UHFFFAOYSA-N 340.492 5.040 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 58721170 OTOYOQRPZPKKEZ-UHFFFAOYSA-N 339.291 5.926 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 78458662 QJJFCPITSDRDKL-GOSISDBHSA-N 343.470 5.336 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(C(C)C)cc2)cc1 113968810 MDNDFRZBDFMEOD-FQEVSTJZSA-N 325.452 5.169 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1C 216320728 GKNLIIONQWJLRQ-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@H](C)C1 225661416 XNKYUVHRAAEGAB-UWJYYQICSA-N 347.499 5.035 0 40 EKAB CC1=CC[C@H]([C@]2(C)CC[C@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 245380335 WNJQFPUJKIPERU-UZSDIVCKSA-N 326.480 5.830 0 40 EKAB Cc1nc(Nc2ccccc2)sc1Cc1cc(Cl)ccc1Cl 257173169 FPMGUEZCWRQYHR-UHFFFAOYSA-N 349.286 6.093 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)C[C@H](C)CC(C)(C)C)cc2)cc1 575359202 ZGGBVKUBWFMRBL-SFHVURJKSA-N 336.519 6.951 0 40 EKAB Nc1cc(C(F)(F)F)ccc1Sc1nc2ccccc2s1 34778 XFYORHNNFSJYHL-UHFFFAOYSA-N 326.368 5.049 0 40 EKAB CN(C)Cc1ccc(F)cc1Sc1ccc(Cl)cc1Cl 346857 JLOWBNWESRIHFY-UHFFFAOYSA-N 330.255 5.345 0 40 EKAB Clc1ccc(-c2cc(COc3ccc4ccccc4c3)no2)cc1 1398574 UVOWRRDMLKVBHM-UHFFFAOYSA-N 335.790 5.727 0 40 EKAB aggregator COc1ccc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1572792 ZSAFCPRRUUQDTN-UHFFFAOYSA-N 326.480 5.587 0 40 EKAB CCCCN[C@@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 1856780 NIXHDTOXNDROPU-OAHLLOKOSA-N 332.538 5.025 0 40 EKAB Fc1cc(F)c2nc(Nc3nc4c(F)cccc4s3)sc2c1 4137699 ZQNVTMDHXIXEGG-UHFFFAOYSA-N 337.351 5.067 0 40 EKAB aggregator COc1cc(/C=C/C2=Nc3ccccc3SC(C)(C)C2)ccc1O 4863878 CDCFKVLOZNINPB-CSKARUKUSA-N 339.460 5.461 0 40 EKAB Clc1ccc(-c2cc(-c3ccccc3)nnc2-c2ccccc2)cc1 5014182 DXKULKZIYPMLOZ-UHFFFAOYSA-N 342.829 6.131 0 40 EKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)C(C)C)c3)oc2c1 9141071 CTBREWBOPTZUQN-UHFFFAOYSA-N 328.799 5.051 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1[C@H](C)CC[C@H]2C(C)(C)CCC[C@]21C 12657544 QKSODSWUZYYQJJ-YBWCYEAHSA-N 332.572 6.961 0 40 EKAB biogenic Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c(Cl)c1 12783632 FVPTUEXUKFAORC-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB CSc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13688375 GTSPXCKVFUIQAI-UHFFFAOYSA-N 347.483 5.446 0 40 EKAB CC(C)c1ccc(N2C(=O)[C@H](C)S[C@@H]2c2ccc(F)cc2)cc1 19927711 XCURUCBCVTUELW-ORAYPTAESA-N 329.440 5.116 0 40 EKAB CCc1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 20492529 IMQUIGSMEKNGHR-QGZVFWFLSA-N 333.884 5.412 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1C 27739892 VHDGDNWMNDAOLW-UHFFFAOYSA-N 327.474 5.273 0 40 EKAB CC(C)CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 27985935 CMQFSETYHPEJAO-UHFFFAOYSA-N 344.418 5.020 0 40 EKAB Cc1sc(-c2ccccc2O)nc1-c1ccc(Br)cc1 48785622 PZKQKUDZGSZBMF-UHFFFAOYSA-N 346.249 5.254 0 40 EKAB O=C(Oc1ccccc1-c1ccccc1)c1ccc(-c2cnco2)cc1 71820770 SASYNZCPXIHIAU-UHFFFAOYSA-N 341.366 5.228 0 40 EKAB Brc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1 90550115 HASALPWGHPTQBW-UHFFFAOYSA-N 349.231 5.455 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C 223399083 NQQALHDSQQAGJW-QZTJIDSGSA-N 341.520 5.111 0 40 EKAB Cc1cc(Cl)ccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)O 225075660 ZLKIEVKHWZQEDE-HNNXBMFYSA-N 341.259 5.090 0 40 EKAB Cc1ccc(-c2csc(=Nc3ccccc3)n2-c2ccccc2)cc1 252669931 JAOOPBPXVXTCKA-UHFFFAOYSA-N 342.467 5.747 0 40 EKAB CCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1Cl 408587140 QYVOYDSRAGWOOL-UHFFFAOYSA-N 344.625 5.298 0 40 EKAB S=C(Nc1ccccc1)N(Cc1ccccc1)C[C@H]1CC=CCC1 191769 ZYCDWGCMOIPMQK-IBGZPJMESA-N 336.504 5.242 0 40 EKAB CC(C)=C(OC(=O)c1ccccc1)[C@@](C)(CC(C)(C)C)C(C)(C)C 1680365 RGXDFFXNMZTHNF-JOCHJYFZSA-N 330.512 6.626 0 40 EKAB CC(=O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 1718739 VGAKUGNZBJXOFF-UHFFFAOYSA-N 337.422 6.218 0 40 EKAB Cc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 1782918 ODRLUHOHWGGJSN-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB CCCC[C@@H](CC)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 2061845 AFQGQIJRBZERAW-MRXNPFEDSA-N 336.479 5.969 0 40 EKAB Cc1nn2c(NC3CCCCC3)cc(C(C)C)nc2c1-c1ccccc1 2338449 HGBMTSQJXKFGKK-UHFFFAOYSA-N 348.494 5.573 0 40 EKAB CC(C)(C)c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 3078769 ZMFUDRWYDBQWEZ-UHFFFAOYSA-N 334.463 5.999 0 40 EKAB biogenic N=C(N)S[C@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 5004056 QOMOBYIZFILMDC-ZDUSSCGKSA-N 343.666 5.343 0 40 EKAB CC(C)(C)c1coc2cc3oc(=O)c(-c4ccc(F)cc4)cc3cc12 5235624 LABCRDLNLUEWPK-UHFFFAOYSA-N 336.362 5.643 0 40 EKAB CCCCc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 6138492 WWMSRVDRTKEYSF-UHFFFAOYSA-N 345.870 5.479 0 40 EKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1Cl 8328582 KGBZQKBQRVJYDD-GFCCVEGCSA-N 343.785 5.038 0 40 EKAB Clc1ccc(NCc2ccc(Br)cc2)c(Cl)c1 20546303 DMRJLSYBRHYTEE-UHFFFAOYSA-N 331.040 5.368 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccc(Cl)c(Cl)c1 35193747 SVARYGKGRMWTLF-PVXIVEMSSA-N 344.282 6.003 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 40913160 OQNLRKVCXRLHGY-JKSUJKDBSA-N 339.907 5.057 0 40 EKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2ccco2)C[C@H](c2ccco2)C1 100141968 BPKFDDLJLHPGJY-ZSEKCTLFSA-N 346.386 5.502 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)c(Cl)c1 222949829 LNXVRPAARRCDOC-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB COc1ccccc1/C=C/C(=O)Nc1ccccc1Oc1ccccc1 408574913 MNPXSPFBOPLKFN-FOCLMDBBSA-N 345.398 5.139 0 40 EKAB Cc1cc(C(F)(F)F)nc(SCc2cccc3ccccc23)n1 409384836 FDRDPYPRDDYPGM-UHFFFAOYSA-N 334.366 5.249 0 40 EKAB O=C(CCC1CCCC1)c1cccc(OCc2cccc(F)c2)c1 575357596 NVQBIZOWEAVJRZ-UHFFFAOYSA-N 326.411 5.558 0 40 EKAB Cc1cccc2c(C(F)(F)F)cc(Oc3ccc(F)cc3F)nc12 1389672 SZHQWSMOQFRBJM-UHFFFAOYSA-N 339.263 5.633 0 40 EKAB C[C@H]1CCC[C@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 4104302 NTDBRNJTVVMTAD-XUEUYAKLSA-N 332.447 5.137 0 40 EKAB CCCCc1ccc(NC(=S)Nc2ccc(C(C)(C)C)cc2)cc1 6318165 XCJIWYBJLKYRNX-UHFFFAOYSA-N 340.536 6.136 0 40 EKAB CC(C)CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 6883641 TVEMREMCOLSXKG-UHFFFAOYSA-N 338.278 5.318 0 40 EKAB C[C@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1cccs1 7359613 PSHZDVPUQMOTMM-ZDUSSCGKSA-N 333.522 5.015 0 40 EKAB CCOc1cc(C(=O)Nc2ccc([C@@H](C)CC)cc2)cc(Cl)c1O 7777177 RNWKSKPRFYDVPS-LBPRGKRZSA-N 347.842 5.210 0 40 EKAB CCCCn1nc(C)c(C(=O)Nc2ccc3ccccc3c2)c1Cl 7940816 OVEQAKXSVLALHS-UHFFFAOYSA-N 341.842 5.051 0 40 EKAB CC[n+]1c(/C=C/c2ccccc2C(F)(F)F)ccc2ccccc21 12936007 XSFWRWNDRIBXQY-ACCUITESSA-N 328.357 5.336 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)ccc1C 20461122 PBYXTBUVOAJOOX-OAQYLSRUSA-N 333.431 5.253 0 40 EKAB C[C@H](Cc1ccc(O)cc1)NCCC(c1ccccc1)c1ccccc1 39385322 LNJZMYPDNAJXBE-LJQANCHMSA-N 345.486 5.135 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2ccccc2C(F)(F)F)c1 67219606 UKILCPUKWDVILG-UHFFFAOYSA-N 338.398 5.638 0 40 EKAB 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]3CC[C@]12C 118917642 LTDMCKMWCXEYTN-PNWDVMQKSA-N 330.512 5.049 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)ccc1C 222905044 HPJAEDOAWGYNDS-FQEVSTJZSA-N 339.479 5.397 0 40 EKAB COc1cc(C)c(C(=O)Nc2cccc(OC(C)C)c2)cc1C(C)C 225664085 GSJLYQJVIACKJA-UHFFFAOYSA-N 341.451 5.167 0 40 EKAB CCOc1ccc(Br)cc1CNc1ccc(CC)cc1 409110842 ALWUIJGATIJFIH-UHFFFAOYSA-N 334.257 5.022 0 40 EKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1 190215 SRPLGCWWNFFZPV-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB Cc1cc(C)c2nc(Nc3ccccc3Br)cc(C)c2c1 982343 QMTYLZXKCUEYOJ-UHFFFAOYSA-N 341.252 5.666 0 40 EKAB COc1ccc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1 1281065 RXCOPTVGNPFBDI-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB Clc1ccccc1-c1nc(Oc2ccccc2)c2ccccc2n1 2269421 FOYCFBWTQBFOQG-UHFFFAOYSA-N 332.790 5.743 0 40 EKAB CCCCC(=O)NCC12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 2683876 XVFTUHVIFZKMDE-MGAZVUHYSA-N 339.523 5.139 0 40 EKAB CC(C)c1ccc(NC(=O)c2snc3ccc(Cl)cc23)cc1 3194569 PCBCAVZEVSAGSR-UHFFFAOYSA-N 330.840 5.325 0 40 EKAB O=C(CC1CCCC1)Nc1nc(-c2ccc(Cl)s2)cs1 3554254 ASHZVMZITVIBQU-UHFFFAOYSA-N 326.874 5.044 0 40 EKAB Cc1cc2occ(CC(=O)Nc3ccccc3F)c2cc1C(C)C 3608746 DRIFBBKVFCTLTQ-UHFFFAOYSA-N 325.383 5.185 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccccc2CCc2ccccc2)c1 5542495 HZPOVCNORKVLOS-UHFFFAOYSA-N 329.443 5.341 0 40 EKAB Cc1nc(Nc2cc(Cl)ccc2F)c2c3c(sc2n1)CCCC3 5938726 MHEWKUBRUDEXTI-UHFFFAOYSA-N 347.846 5.415 0 40 EKAB CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl 6958173 SDYBDLFOQSKSQV-UHFFFAOYSA-N 330.642 5.658 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1 10331243 WMBWFXIGXJAIIK-UHFFFAOYSA-N 333.834 5.348 0 40 EKAB Cc1ccc(C)c(NC(=S)N(Cc2ccccc2)c2ccccc2)c1 13935970 SLZDVUIOHZQIEE-UHFFFAOYSA-N 346.499 5.707 0 40 EKAB Cc1ccc([C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 14577215 OKUPFBYMPQOKFC-HXUWFJFHSA-N 335.834 5.168 0 40 EKAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 59297618 ZGWFQGOJIXIGHQ-CYBMUJFWSA-N 330.859 5.520 0 40 EKAB Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)oc3c2)cc1 95116516 LYKSCACJRUFZFW-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1cc(Br)c2[nH]c(-c3ccc(C)c(Cl)c3)nc2c1 216916198 BPTRIECGMVJRQC-UHFFFAOYSA-N 335.632 5.263 0 40 EKAB CC(C)Oc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 408574017 HDUWTFVTBFPXHB-UHFFFAOYSA-N 349.883 5.248 0 40 EKAB CCOc1ccc(NCc2cc(Cl)c(OCC)c(OCC)c2)cc1 409114986 GEZFCOIUQPDLOB-UHFFFAOYSA-N 349.858 5.148 0 40 EKAB Cc1cc(C)c(C[S@@](=O)C(c2ccccc2)c2ccccc2)c(C)c1 608989862 KCTSBGGWSHYMNY-RUZDIDTESA-N 348.511 5.650 0 40 EKAB Cc1cccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c1 175503 ZRTAVZABBZPSPQ-UHFFFAOYSA-N 336.460 5.494 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](c2ccccc2)C1 263493 MVZPGQMXAAHSIF-ZDUSSCGKSA-N 335.234 5.015 0 40 EKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 512863 QJIOPOVYRVZSKE-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB c1ccc2c(Nc3nc(-c4ccncc4)nc4ccccc34)cccc2c1 1301438 ZDRLMGROXGXIIM-UHFFFAOYSA-N 348.409 5.589 0 40 EKAB CC(=O)O[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 1699699 UDYOQLLJPCUQHS-OAHLLOKOSA-N 327.594 5.280 0 40 EKAB CCCCCN(CCCCC)C(=O)c1c(-c2ccccc2)noc1C 2086481 ZEKNXFKBIRHFNI-UHFFFAOYSA-N 342.483 5.473 0 40 EKAB CC1(C)C[C@@H]([C@H](CCNCc2ccccc2)c2ccccc2)CCO1 4535302 YIMXBIWRYAWKDJ-FCHUYYIVSA-N 337.507 5.155 0 40 EKAB Cc1cc(C)c2c(c1C)O[C@@H](c1coc3c(C)c(C)cc(C)c13)C2=O 4779452 WZWKYDQACJPZER-QFIPXVFZSA-N 334.415 5.600 0 40 EKAB Cc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 5018977 DRGFHXIMKSTANI-JTHBVZDNSA-N 340.426 5.237 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 6654164 FFUQZAOZLQSAKZ-MRXNPFEDSA-N 327.493 5.457 0 40 EKAB CC(C)CC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8902946 XXIBHLGNQJSURH-UHFFFAOYSA-N 336.435 5.603 0 40 EKAB Clc1cccc(CSc2nc(-c3ccccc3Cl)n[nH]2)c1 9198301 IYMRFRLZFJJFEJ-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB CC(C)=CCC/C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 12363891 DBMJZOMNXBSRED-DHDCSXOGSA-N 338.403 5.611 0 40 EKAB endogenous,in-man O=[N+]([O-])c1ccc(/N=N/Nc2ccc(N=Nc3ccccc3)cc2)cc1 18282893 SMMIDVLUFMPWFN-UHFFFAOYSA-N 346.350 6.121 0 40 EKAB COc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1 19902440 RCIGOSNBBDUIQM-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB Cc1ccsc1/C=C/C(=O)Nc1ccccc1SC(F)F 28334984 ZJOGVSCWACCZMQ-VOTSOKGWSA-N 325.405 5.023 0 40 EKAB O=[S@](Cc1ccc(-c2ccccc2)cc1)Cc1ccc(F)c(F)c1 97175267 XHFYCOTVFUKDSM-DEOSSOPVSA-N 342.410 5.081 0 40 EKAB S=c1sc2c(s1)S[C@@H]1[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C[C@H]1S2 100554062 YJEUJNZJEIHEBL-BHQVJMJVSA-N 328.574 5.316 0 40 EKAB Fc1ccc(-c2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)cc1 257226106 FJEJCLIUJWMKAH-JOCHJYFZSA-N 347.437 5.010 0 40 EKAB C[C@@H](CC(=O)c1ccc(OC(F)(F)C(F)F)cc1)CC(C)(C)C 575361256 VPFNLSYUSDJISN-NSHDSACASA-N 334.353 5.568 0 40 EKAB Cc1ccccc1C(=O)Nc1cccc(C(=O)c2cccc(C)c2C)c1 378282 JVYCVYLLPNWZOL-UHFFFAOYSA-N 343.426 5.095 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 568894 GMXOGGPEYWJJEI-ZDUSSCGKSA-N 331.843 5.179 0 40 EKAB CCOP(=O)(OCC)[C@H](Nc1ccc(CC)cc1)c1ccccc1 3032794 SBABDXDGRBJVKJ-IBGZPJMESA-N 347.395 5.626 0 40 EKAB CCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1 3194679 RQPINFFXLGNJAB-SFHVURJKSA-N 331.843 5.117 0 40 EKAB Cc1ccc(OCc2csc(=S)n2-c2c(F)cccc2F)cc1 4054516 YIYLXHDNLUNHHO-UHFFFAOYSA-N 349.427 5.434 0 40 EKAB Clc1ccc(CSc2nc3cc(Cl)ccc3[nH]2)c(Cl)c1 4406904 XYJYJJVSQJYAHO-UHFFFAOYSA-N 343.666 5.815 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 7348477 XYZZDXDUPMSONH-QGZVFWFLSA-N 347.414 5.193 0 40 EKAB c1cc(C23CC4CC(CC(C4)C2)C3)oc1C12CC3CC(CC(C3)C1)C2 12374937 JTWOCFNMWGEIPW-UHFFFAOYSA-N 336.519 6.215 0 40 EKAB FC(F)(F)c1cccc(NC(=S)Nc2ccc3c(c2)CCC3)c1 13812815 GFDZLTBPCAJTAX-UHFFFAOYSA-N 336.382 5.003 0 40 EKAB CC(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 14257873 SABCPELZDUGZCV-UHFFFAOYSA-N 337.231 5.229 0 40 EKAB CCCCCCOc1ccc(NCc2cccc(OC(C)C)c2)cc1 19738141 FDZXEVPYEWNEGY-UHFFFAOYSA-N 341.495 6.045 0 40 EKAB CCOC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 45795947 SRWDCDNNYJLAQY-UHFFFAOYSA-N 331.824 5.149 0 40 EKAB C[C@H]1CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C2=C(O)C1 102602615 XYEDVGVPJYMUIT-VOJFVSQTSA-N 335.432 5.015 0 40 EKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1 107039244 BTJZWZCWYWYRCG-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCc1ccc(CC(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 223697658 GUKCWYCTCOSBJA-XMMPIXPASA-N 343.470 5.006 0 40 EKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225514924 PZJUSMPOGPXKDP-UHFFFAOYSA-N 341.426 5.065 0 40 EKAB Cc1ccc(NC(=S)NCCCSC2CCCCC2)c(C)c1 225589517 IJQFMGSKUBVRJT-UHFFFAOYSA-N 336.570 5.046 0 40 EKAB CCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225690743 HCIKYOFXGJRISX-DYESRHJHSA-N 349.515 5.261 0 40 EKAB CCOc1ccccc1NC(=S)N[C@@H](CC)c1ccc(C)c(C)c1 225709834 VQZJTCMMKWIGBM-KRWDZBQOSA-N 342.508 5.140 0 40 EKAB CC(C)Oc1ccc(NC(=O)c2ccccc2SC(C)C)cc1 408677310 BNMFJEHUCJTHOX-UHFFFAOYSA-N 329.465 5.227 0 40 EKAB Cc1ccccc1NC(=O)NCc1cc(-c2ccsc2)cs1 1775969572 BNXMPUOBGCYILE-UHFFFAOYSA-N 328.462 5.107 0 40 EKAB CC(C)CN(CC(C)C)C(=O)C1c2ccccc2Oc2ccccc21 204732 JQUFOQQTQAVQEW-UHFFFAOYSA-N 337.463 5.065 0 40 EKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CC[C@H](c1ccccc1)O2 489830 QUBZXOAQHHPLAO-HXUWFJFHSA-N 346.426 5.047 0 40 EKAB biogenic Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 571801 JFINLIJNLODBSV-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CCCCCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 1893511 XUZWKSGDDJAYQX-UHFFFAOYSA-N 342.822 5.682 0 40 EKAB C[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 5445677 XAPJFQGEZHMFNL-ZHRRBRCNSA-N 340.426 5.243 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 5951208 DZVLBTPPNDIENM-UHFFFAOYSA-N 345.870 5.860 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3F)n2)c(C)c1 6221278 DYJYVRGLEMWVQM-UHFFFAOYSA-N 340.423 5.127 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3F)o2)cc1C 8319643 PODPKHLKEIXABY-UHFFFAOYSA-N 327.330 5.094 0 40 EKAB C1=C(c2cn(Cc3ccccc3)c3ccccc23)CCC2(C1)OCCO2 8857322 OXBBTSMKXOAWJJ-UHFFFAOYSA-N 345.442 5.000 0 40 EKAB C[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(C(C)(C)C)cc1 10276572 PZAMMKJMCZITNR-QGZVFWFLSA-N 339.479 5.021 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 16221499 YMOMGOKBVYONPJ-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB CC[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 20454206 YPNUTLCWLKYQCU-OEZHIIBRSA-N 341.454 5.495 0 40 EKAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 22522747 DPLZBULSYWCFNV-MRXNPFEDSA-N 325.452 5.339 0 40 EKAB CSc1nc(-c2ccccc2Oc2ccccc2)nc2cnccc12 35287620 SLCJXGXRBJPDCV-UHFFFAOYSA-N 345.427 5.206 0 40 EKAB in-vitro COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1 39247829 KUALGQALXWQQPQ-GGAORHGYSA-N 330.427 5.263 0 40 EKAB in-vitro Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCCN1Cc1ccccc1 72219246 PLJHCCIQFVNHBP-QFIPXVFZSA-N 349.522 5.108 0 40 EKAB Cc1cnc([C@H](Nc2ncc(C(F)(F)F)cc2Cl)C2CC2)s1 72301682 ZBVNYFDSCOBMBR-LLVKDONJSA-N 347.793 5.082 0 40 EKAB C[C@]12C[C@@H](c3ccccc3)N(Cc3ccccc3)[C@H]1CCCCC2=O 254286874 NIZOCBKNQRRYRA-FUDKSRODSA-N 333.475 5.152 0 40 EKAB CCN(C(=O)C(C)C)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 526052252 KGIXLRSVSSHUJV-NRFANRHFSA-N 334.463 5.070 0 40 EKAB O=C(c1ccsc1)c1coc2ccc(OCc3ccccc3)cc12 526052461 HIPQRBBTYJOYNI-UHFFFAOYSA-N 334.396 5.304 0 40 EKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1 117034 UORVACMEJCLURN-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB O=C1C[C@H](c2c(Cl)cccc2Cl)c2ccc3ccccc3c2N1 182125 NDVXIOAQMLREBR-AWEZNQCLSA-N 342.225 5.621 0 40 EKAB CNc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 1404385 INLXGXCGPFGHHE-UHFFFAOYSA-N 341.867 5.131 0 40 EKAB CCOC(=O)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 1632678 CHVAZIBYKIHFHJ-QFIPXVFZSA-N 330.427 5.165 0 40 EKAB C=Cc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 1797640 RFRMSXLUANVYTG-UHFFFAOYSA-N 346.426 5.202 0 40 EKAB CCOC(=O)CCCCCCC(=O)c1ccc(Cl)c(Cl)c1 2580274 WQGSYFLJJZAOPU-UHFFFAOYSA-N 331.239 5.080 0 40 EKAB O=C(COc1ccc(Cl)c2ccccc12)c1cccc(Cl)c1 2658934 WPSSTGNCSWEAOQ-UHFFFAOYSA-N 331.198 5.408 0 40 EKAB CCCC[C@H](CC)COC(=O)/C=C/c1ccc(OCCC(C)C)cc1 4775054 IFOXCRJNHMWYCU-VUVZNRFTSA-N 346.511 5.884 0 40 EKAB Cc1occc1C(=O)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 6254750 VOPPNEKCGJLHRS-UHFFFAOYSA-N 340.448 5.162 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(F)c(Cl)c1 8382802 FEGNNBJYPXECIP-UHFFFAOYSA-N 343.785 5.283 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1c(Cl)cccc1Cl 8496777 NCCZLOMCOAFFEP-UHFFFAOYSA-N 340.275 5.746 0 40 EKAB CSc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 13688315 VXCSWIVWKZIBRZ-UHFFFAOYSA-N 347.483 5.446 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)Cc1ccc(-c2ccccc2)cc1 14739593 BJGDZDIXQIFSFK-UHFFFAOYSA-N 343.470 5.967 0 40 EKAB COC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 16742306 IOUMMFHEACZXFM-UHFFFAOYSA-N 344.823 5.309 0 40 EKAB C[C@@H](NCc1cc(Br)cs1)c1cccc(Cl)c1 20306363 QRSCBUISPDFNRA-SECBINFHSA-N 330.678 5.015 0 40 EKAB CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(C)cc1 20452232 BHWOMJZEIYCTOS-HXUWFJFHSA-N 333.431 5.038 0 40 EKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OC 20544590 XASXWDMAAGLFFG-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)o1 32882382 KIFUUUPCSJSIBN-UHFFFAOYSA-N 329.808 5.337 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc2c3c(cccc13)CC2 109299026 NLGYZKWSSCJDEW-ACCUITESSA-N 333.818 5.244 0 40 EKAB CC(C)C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 216127952 CVQZLWJIGRBOBK-FOYQMUPJSA-N 349.518 5.901 0 40 EKAB Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(C)c1 223872438 JADIDSUWXNKMQX-UHFFFAOYSA-N 333.456 5.707 0 40 EKAB CCCOc1c(C)cc(NC(=O)C2(OCCC)CCCCC2)cc1C 225658260 PAFVQYHOGKXKLD-UHFFFAOYSA-N 347.499 5.160 0 40 EKAB CCc1ccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2C)cc1 225714400 QPSPMTYGXZWYSM-IBGZPJMESA-N 326.509 5.304 0 40 EKAB Cc1ccccc1NCc1ccc(OCc2cccc(Cl)c2)cc1 409116907 MRCJWDJIIZBESO-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCc1ccc(-c2nn(-c3ccccc3)c(=S)c3ccccc23)cc1 62053 XKRBYTKTJRBXQV-UHFFFAOYSA-N 342.467 5.984 0 40 EKAB Cc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C)c1 380983 LZOAOLSPNVGOME-UHFFFAOYSA-N 329.852 5.732 0 40 EKAB C/C(=C1\C(=S)Nc2ccccc21)c1ccc(Br)cc1 480274 HBBXCRVARIXMIF-XNTDXEJSSA-N 330.250 5.133 0 40 EKAB Cc1ccc(Cc2ccc(C(=O)Nc3ccccc3Cl)o2)cc1 554796 NDKXHAIKJAIQDH-UHFFFAOYSA-N 325.795 5.085 0 40 EKAB O=C(c1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 2514532 FAYZYKJHWNUSEN-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)c(C)c1 2790555 AUESRQORQVLRFB-UHFFFAOYSA-N 331.843 5.063 0 40 EKAB CCOc1ccc(NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 3165124 KOXRZHDZFMOEBP-LVBDODCMSA-N 327.468 5.020 0 40 EKAB CC(C)c1ccccc1NC(=S)NCCCSc1ccccc1 3453254 AMBMQXXLYSEEKG-UHFFFAOYSA-N 344.549 5.279 0 40 EKAB Cc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)o1 3647346 UTKJMHAAJYVZNS-BDJLRTHQSA-N 344.480 5.229 0 40 EKAB CC[C@]1(C)C[C@@](CCNCc2ccccc2F)(CCC(C)C)CCO1 5478745 NXENPVBYWWLXGA-FGZHOGPDSA-N 349.534 5.707 0 40 EKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccccc1Cl 5518672 CHUOPQYNOYPPIC-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1 14784515 NEMGQIFBCXDEED-UHFFFAOYSA-N 335.017 5.553 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)c(Cl)c1 16216532 NMYSBIPBGLIXLW-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB Clc1ccccc1CNCc1ccc(OCc2ccccc2)cc1 16480433 LMSPVMKTJDOHRV-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB C[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)cc1 25356176 XFDKAMONNPEHGL-ZDUSSCGKSA-N 346.261 5.030 0 40 EKAB Cc1ccc(-c2noc(CSCc3cccc4cccnc34)n2)cc1 28908927 FKEXFFYDAZKCIB-UHFFFAOYSA-N 347.443 5.027 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccn(C2CCCC2)n1 32648463 OWDDAUKWPCHOPS-UHFFFAOYSA-N 347.418 5.043 0 40 EKAB Oc1ccc(C2(c3ccc(O)cc3)CCC(c3ccccc3)CC2)cc1 34515763 IMWWXYNBBKULSY-UHFFFAOYSA-N 344.454 5.742 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 38771567 YDOJXXXHNNDYAD-PXNSSMCTSA-N 341.520 5.379 0 40 EKAB CCCCCCOc1ccc(C(=O)CCCCCC(=O)OCC)cc1 43214346 YMIKSVOUYDWINA-UHFFFAOYSA-N 348.483 5.342 0 40 EKAB Cc1[nH]c(-c2ccc(-c3c(F)cccc3F)o2)nc1-c1ccccc1 95468320 LXZINUKOEAFEIX-UHFFFAOYSA-N 336.341 5.590 0 40 EKAB Cc1ccc(-c2nnc([C@H](C)S[C@H](C)c3cccs3)o2)cc1 95960589 LZQVIDMCUUCCJN-OLZOCXBDSA-N 330.478 5.662 0 40 EKAB CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)O 100743098 OMRDSKNXJYXBEL-ZOSATPRYSA-N 332.572 6.673 0 40 EKAB CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918431 XTSCVFJBNHHMKD-QCUTZMCWSA-N 332.528 5.129 0 40 EKAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc2c(ccc3ccccc32)o1 216411341 FTBAGGCAYKQGSD-UHFFFAOYSA-N 349.817 5.512 0 40 EKAB COc1cc(C)c(C(=O)N(C)Cc2ccc(Cl)cc2)cc1C(C)C 225669179 VKXCLBUHZVYVOK-UHFFFAOYSA-N 345.870 5.053 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc2ccccc2c1 503353 PTDAIJVZUSVMNR-UHFFFAOYSA-N 332.186 5.758 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 505799 RSVNVBCHKMGTDI-INIZCTEOSA-N 325.452 5.341 0 40 EKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)CC(C)C 569608 KLTXUGICCYGAAU-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB Fc1cccc(CSC2=Nc3cc(Cl)ccc3SCC2)c1 1405532 OMIIAZAZSRMUNT-UHFFFAOYSA-N 337.872 5.938 0 40 EKAB CCN(CC)CCCCCCNc1cc(C)cc2ccc(C)nc12 1673168 OVCYHPOGVPODQV-UHFFFAOYSA-N 327.516 5.166 0 40 EKAB Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 3176955 CCDVUMCEZOIFBC-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB C[C@H]1[C@H](C)CCC[C@H]1NC(=S)Nc1ccc(SC(F)F)cc1 3334763 NJNXEQZYMFOLLB-UHIISALHSA-N 344.496 5.112 0 40 EKAB CCC[C@@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C(C)C 4084638 VKZWRJPZKYCXEQ-KAOXLYBCSA-N 337.507 5.266 0 40 EKAB O=C1O[C@](OC2CCCCC2)(c2ccc(Cl)cc2)c2ccccc21 4151860 ABYWTZQTQKPOBJ-HXUWFJFHSA-N 342.822 5.061 0 40 EKAB CCCOC(=O)C(C)(C)C(OP(OCCC)OCCC)=C(C)C 4962606 MBMLVHGZAPNDPD-UHFFFAOYSA-N 348.420 5.356 0 40 EKAB CSc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 5559513 DMKQYPSCPSUNAU-NTEUORMPSA-N 343.451 6.387 0 40 EKAB C[C@@H](Sc1ccc2ccccc2c1)C(=O)NCC1CCCCC1 6849458 QYYRCYOZAXWUSO-OAHLLOKOSA-N 327.493 5.017 0 40 EKAB Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)oc2c(Cl)cccc12 7735197 CCBGGGWPQJBHNI-UHFFFAOYSA-N 343.854 5.093 0 40 EKAB Clc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 7990398 XCAYNGAHVADTNR-UHFFFAOYSA-N 338.819 5.804 0 40 EKAB CCCCCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21 13712876 DFCQUQCLNNINEJ-UHFFFAOYSA-N 332.451 5.320 0 40 EKAB FC(F)(F)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 13747938 DIWBFYPELNFPFY-UHFFFAOYSA-N 330.762 5.168 0 40 EKAB C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 17743176 QQJMMJGWPVUTNJ-SECBINFHSA-N 341.263 5.206 0 40 EKAB c1ccc(-c2nc(SCc3cccnc3)[nH]c2-c2ccccc2)cc1 27809318 WFPAVQOJBXTQKM-UHFFFAOYSA-N 343.455 5.431 0 40 EKAB O=C(O)CCC/C(=C/c1cccs1)c1nc2ccccc2s1 57645303 CQZLMBMKSOPHGG-QXMHVHEDSA-N 329.446 5.153 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 59351490 RFGMRFPEVWSQIL-ZWKOTPCHSA-N 347.458 5.101 0 40 EKAB OC1=Nc2ccsc2[C@@H](c2ccc(Cl)cc2Cl)SC1 71283274 NCUANKUBWVGPPD-GFCCVEGCSA-N 330.261 5.479 0 40 EKAB C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C 96171649 GFRFOISPYQAIAR-UHFFFAOYSA-N 348.486 6.041 0 40 EKAB Cc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1Cl 225081105 AICZLVXWQCLRPX-HNNXBMFYSA-N 341.259 5.090 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(F)c(F)c1 225660111 ZXKCYYJMWBTPJF-ZDUSSCGKSA-N 348.462 5.008 0 40 EKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC)c2ccccc12 225844070 OBCYFNYYDWWTPK-NRFANRHFSA-N 343.467 5.162 0 40 EKAB c1ccc(CCN2CCC[C@@H]2c2ccc(Cc3ccccc3)cn2)cc1 257308786 TYCBNCLBPHSRGL-XMMPIXPASA-N 342.486 5.052 0 40 EKAB CC[C@H](C(=O)c1ccc(OCc2ccccc2)cc1C)c1ccccc1 575356989 QYJPMMVOENKKMC-QFIPXVFZSA-N 344.454 5.951 0 40 EKAB CCOC(=O)c1c(C)oc2ccc(OCc3ccccc3Cl)cc12 407132 WLXTXXBUKKAVQJ-UHFFFAOYSA-N 344.794 5.150 0 40 EKAB biogenic Cc1ccc(Sc2nc(-c3ccncc3)nc3ccccc23)cc1 520811 PMBIEWLUQLUUGT-UHFFFAOYSA-N 329.428 5.151 0 40 EKAB O=C(Nc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 537591 UBHGCPUWIAJVPB-UHFFFAOYSA-N 349.415 5.128 0 40 EKAB O=C(Cc1cccc2ccccc12)Nc1c(Cl)cccc1Cl 554391 FZQAPIXVTDVORR-UHFFFAOYSA-N 330.214 5.328 0 40 EKAB C[C@H](CC(C)(C)C)CP(=O)(Oc1ccccc1)Oc1ccccc1 1665836 OZPYAHAENLTABB-QGZVFWFLSA-N 346.407 6.410 0 40 EKAB CN(Cc1ccccc1)C(=O)N1c2ccccc2C=Cc2ccccc21 3087516 MZGJQRQQPPSUFE-UHFFFAOYSA-N 340.426 5.561 0 40 EKAB C[C@H]1CCCC[C@H]1Nc1ncnc2scc(-c3ccc(F)cc3)c12 3304982 DRAWZAKARCRKJZ-BLLLJJGKSA-N 341.455 5.488 0 40 EKAB Cc1ccc(-c2csc3ncnc(Nc4cccc(F)c4)c23)cc1 3310839 XYKKXOOVQRLEJQ-UHFFFAOYSA-N 335.407 5.549 0 40 EKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(C)CC2)cc1 4282015 RLBDOZURNPDPPC-QKTWPWEVSA-N 346.474 5.445 0 40 EKAB Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccs3)C2)cc1 4344508 WHDZQEONHSHILX-GOSISDBHSA-N 338.863 5.757 0 40 EKAB C[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1ccc(F)c(F)c1 12760575 YEWSXLVTQSNLPF-CQSZACIVSA-N 337.369 5.123 0 40 EKAB CC[C@@H](C)c1ccccc1O[C@@H](C)CNc1ccccc1OC(C)C 19737492 PDSBZNHGOYNLTC-MSOLQXFVSA-N 341.495 5.867 0 40 EKAB C[C@]1(c2ccc(F)cc2)CC(c2ccc(F)cc2)=Nc2ccccc2N1 34808959 KJXJTLZPVKUSJH-JOCHJYFZSA-N 348.396 5.817 0 40 EKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1 78458915 LDAUMFJXDAUSRY-XLIONFOSSA-N 339.479 5.153 0 40 EKAB Fc1ccc(CN(Cc2cc3ccccc3nc2Cl)C2CC2)cc1 84594812 MOGLHWDIMHIFJZ-UHFFFAOYSA-N 340.829 5.192 0 40 EKAB CCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(OCCC)cc2)CC1 100003737 ZAUPPIHFDVKVJM-HDICACEKSA-N 332.484 5.768 0 40 EKAB CC[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 142037564 JLGZORWYRRXGLS-JOCHJYFZSA-N 330.427 5.642 0 40 EKAB CSc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 201064362 NFPRTUQGGYXODP-JLHYYAGUSA-N 325.477 5.358 0 40 EKAB CCO[C@@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225718124 KNYFPYDYZRMRLT-VFNWGFHPSA-N 347.499 5.015 0 40 EKAB CSc1ccccc1C(=O)N[C@H](c1ccsc1)c1cccs1 390826329 IFKOITRNIBOYJZ-MRXNPFEDSA-N 345.514 5.051 0 40 EKAB CC[C@@H](C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359212 VHAHJOYHIXSNFM-GOSISDBHSA-N 329.443 6.385 0 40 EKAB COc1ccc2c(c1)sc1nc(-c3ccc4c(c3)CCCC4)cn12 151519 POBOQEDBESUROG-UHFFFAOYSA-N 334.444 5.103 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)sc2c1 380980 FCFDGHFKCNQBCW-UHFFFAOYSA-N 336.243 5.769 0 40 EKAB CN(C(=O)c1ccccc1Cl)C(c1ccccc1)c1ccccc1 2663137 KYFSBFYTJSYBOA-UHFFFAOYSA-N 335.834 5.202 0 40 EKAB Cc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c(C)c1 2679178 KJNOSWRUSJVZIK-UHFFFAOYSA-N 330.456 6.324 0 40 EKAB Cc1ccccc1NC(=O)CCc1ccc(-c2ccccc2Cl)o1 6602075 UVSHBZNFLGYTCE-UHFFFAOYSA-N 339.822 5.480 0 40 EKAB O=C(Nc1cccc(F)c1)Nc1cc(Cl)c(Cl)cc1Cl 6926072 YAPDJRWRSYNANB-UHFFFAOYSA-N 333.577 5.430 0 40 EKAB Fc1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1Cl 7539889 LWKXNVQJDJOBQC-UHFFFAOYSA-N 335.850 5.942 0 40 EKAB Cc1csc(N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)n1 9184366 WDMYQFSMYIMZMI-HNNXBMFYSA-N 343.452 5.008 0 40 EKAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10371235 QHKDSOHRCKRGEL-UHFFFAOYSA-N 336.479 5.048 0 40 EKAB CCCCCc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O 11691907 MHQAQRCDZYAXOS-UHFFFAOYSA-N 340.463 6.186 0 40 EKAB Clc1cccc(Cl)c1CNC(c1ccccc1)c1ccccc1 16477808 IZBVOPUJRPTBEI-UHFFFAOYSA-N 342.269 5.873 0 40 EKAB Cc1ccc(C)c(NCCCCOc2ccc(Cl)cc2Cl)c1 19737775 XUEHVOBQNBDCST-UHFFFAOYSA-N 338.278 5.881 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C 20048679 LJHWSLQCTQQZGY-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1C 27583607 SMMQJPYVIOCWAY-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CCCCC2 32117882 YYTURUAGGSNKAY-QFIPXVFZSA-N 347.502 5.295 0 40 EKAB CCc1ccccc1Nc1nn(-c2ccccc2C)c(=S)s1 32815431 XFHKSLHDELTXMQ-UHFFFAOYSA-N 327.478 5.278 0 40 EKAB COc1ccc(Cl)cc1CNc1ccc(Br)cc1C 35179897 MLUIZKOQPJIXOI-UHFFFAOYSA-N 340.648 5.032 0 40 EKAB C[C@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1F 40067830 BQFJOPHDNQRNFF-KBPBESRZSA-N 340.398 5.036 0 40 EKAB O=C(N[C@H]1CCCc2ccccc21)c1cc2c(ccc3ccccc32)o1 44900252 CWZCKRWVVLMIQR-FQEVSTJZSA-N 341.410 5.393 0 40 EKAB CC(C)c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 51354322 WPDOUIQALJNKLT-UHFFFAOYSA-N 333.229 5.217 0 40 EKAB Fc1cc(Br)ccc1-c1ccccc1CN1CCCCC1 85471876 DRYSULBSSORLBZ-UHFFFAOYSA-N 348.259 5.241 0 40 EKAB O=C(Cc1cccs1)Nc1ccc(CSc2ccccc2)cc1 225717835 SVXZXRZNNAHLHP-UHFFFAOYSA-N 339.485 5.222 0 40 EKAB Fc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225851397 ITAQZAKGDVJBIZ-UHFFFAOYSA-N 348.874 5.235 0 40 EKAB Oc1nc(-c2ccc(-c3ccccc3F)o2)nc2ccc(Cl)cc12 253536604 XPVZVRFWKUCQBW-UHFFFAOYSA-N 340.741 5.055 0 40 EKAB CN1CCC([C@@H]2Oc3ccccc3Sc3ccc(Cl)cc32)CC1 347656 DJBLGERXKWAXLD-IBGZPJMESA-N 345.895 5.267 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3cccc(C)n23)cc1 427574 XFTISCZPBUFFSY-UHFFFAOYSA-N 327.431 5.670 0 40 EKAB CCOc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc2c1 2573919 HOEMJAIWYQJTAY-UHFFFAOYSA-N 342.394 5.526 0 40 EKAB O=C(Nc1ccccc1)N(Cc1ccco1)c1ccc(Cl)cc1 4555387 KFCMNQMNKDJJOS-UHFFFAOYSA-N 326.783 5.172 0 40 EKAB Cc1ccc(C2=NN=C(c3ccccc3)C=C(c3ccccc3)C2)cc1 5745611 DGVPOMDKZARQHH-UHFFFAOYSA-N 336.438 5.676 0 40 EKAB c1ccc(NCc2c(-c3cccs3)n[nH]c2-c2ccccc2)cc1 6566791 GFUFHHMXTDHZEM-UHFFFAOYSA-N 331.444 5.417 0 40 EKAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1Cc1ccccc1 6838725 MLSVFHMXBURWAY-UHFFFAOYSA-N 335.834 5.112 0 40 EKAB Cc1ccc2nc(-c3ccccc3)c(CN3CCCC[C@@H]3C)c(O)c2c1 8571856 SKWXTJAZIJGIST-KRWDZBQOSA-N 346.474 5.290 0 40 EKAB Cc1ccc([C@@H]2CC(c3cccs3)=NN2c2nc(C)cs2)cc1 13570203 XXBOOGWHOYDIQK-INIZCTEOSA-N 339.489 5.177 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(Cl)c1Cl 13994863 DCNUMECGLBPWIO-CQSZACIVSA-N 338.234 5.098 0 40 EKAB Cc1cc(C)c2nc(NC(=O)c3ccc(C)c(Cl)c3)sc2c1 14258022 JQWMAZIMFMQJOD-UHFFFAOYSA-N 330.840 5.127 0 40 EKAB CCOc1ccc(-c2nc(C)c(-c3ccccc3)s2)cc1OC 15518765 OMFNYINBWNCBIE-UHFFFAOYSA-N 325.433 5.193 0 40 EKAB Cc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 20488849 DSFFPICXEOQLOZ-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CC(C)OCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 32674681 OCDJMFYEVBMDGB-UHFFFAOYSA-N 338.234 5.171 0 40 EKAB Cc1cc(C)c2nc(N[C@@H](C)c3cccc4ccccc34)cc(C)c2c1 41127849 SKFQPYWTNJZKNG-SFHVURJKSA-N 340.470 6.486 0 40 EKAB Cc1cccc(Cl)c1NC(=O)Nc1cccc(Br)c1 51354368 ANIJMRFTALHINM-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)cc3)CC2)CC1 100041652 WQYLIZKSPNCLRH-FXELSEDVSA-N 330.531 7.486 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(C)cc1 113958967 DABUALGTIDQQCU-GOSISDBHSA-N 327.493 5.377 0 40 EKAB O=C(Nc1ccccc1Cl)N1CCS[C@@H](c2ccccc2)CC1 211144445 NKJXZADIPCUKTP-QGZVFWFLSA-N 346.883 5.052 0 40 EKAB O=C(c1cc(Cl)cc(Cl)c1Cl)C(Cl)(Cl)Cl 308781151 CRFOUWYPJVQJHW-UHFFFAOYSA-N 326.821 5.200 0 40 EKAB C1=C(CCn2c(-c3ccco3)nc3nc4ccccc4nc32)CCCC1 543852 YLKMLLFGBWCDTA-UHFFFAOYSA-N 344.418 5.130 0 40 EKAB CC(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 551902 BANIMWODZVQTCO-UHFFFAOYSA-N 336.778 5.260 0 40 EKAB Cc1cc(C)n(CCc2nc(-c3ccc(C(C)(C)C)cc3)cs2)n1 3253428 UEPXYDMWYLQACE-UHFFFAOYSA-N 339.508 5.164 0 40 EKAB CCCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 4856352 NPAJDWNUAFQQEQ-XDOYNYLZSA-N 340.467 5.778 0 40 EKAB O=c1c2c(-c3ccccc3)csc2[nH]c(=S)n1C1CCCCC1 7370643 NGKCASJUMUKMJU-UHFFFAOYSA-N 342.489 5.293 0 40 EKAB C[C@@]12CC3CC(NCc4cccc(Br)c4)(C1)C[C@](C)(C3)C2 8534537 ARWDGAGBOAFEDY-AFGAAMFOSA-N 348.328 5.288 0 40 EKAB CCc1cc2c(SCc3nc4ccccc4s3)ncnc2s1 8944803 MEKYRZWZVBKQCQ-UHFFFAOYSA-N 343.502 5.156 0 40 EKAB Fc1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1 12692364 CQYYHPGGJIRGFD-UHFFFAOYSA-N 335.407 5.110 0 40 EKAB O=C(Nc1ccccc1SCc1ccsc1)c1cccc(F)c1 13007189 BPISPQULISWBHZ-UHFFFAOYSA-N 343.448 5.432 0 40 EKAB O=C(C[C@H](c1ccccc1)c1cccc2ccccc12)c1ccccc1 16971027 OSSRQMGPHBRPHQ-XMMPIXPASA-N 336.434 6.245 0 40 EKAB Cc1ccc(C)c(COc2cccc3ccc(N4CCCCC4)nc23)c1 17026153 CBAHGXLGYDGHKT-UHFFFAOYSA-N 346.474 5.421 0 40 EKAB O=C(Nc1ccc(F)cc1)c1ccccc1-c1nc2ccccc2s1 23177479 SWWBRQPLCZSWSM-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 40945035 VBWNSWHORGKRHE-IAGOWNOFSA-N 333.516 5.084 0 40 EKAB Cc1cnccc1CN[C@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCCC[C@H]21 57774235 SOQVDBIFFLBOBP-DOIPELPJSA-N 340.898 5.105 0 40 EKAB Cc1c([C@@H](C)NC(=O)NCc2cc3ccccc3o2)oc2ccccc12 95365022 JBUOOEDXRGWUPR-CQSZACIVSA-N 348.402 5.048 0 40 EKAB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C 225669496 AOUGGHFNMSAKLS-UHFFFAOYSA-N 347.499 5.098 0 40 EKAB CC[C@H](C)n1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 537022 ONHBEPOFPFJOGM-LBPRGKRZSA-N 336.826 5.271 0 40 EKAB CCOc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 3321862 ZLTMHXQBIJIDNL-UHFFFAOYSA-N 333.387 5.130 0 40 EKAB O=C(CSc1c[nH]c2ccccc12)Nc1cccc2ccccc12 4108468 HWLROVQZSXEIDO-UHFFFAOYSA-N 332.428 5.052 0 40 EKAB CCOc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1 4137661 ZBLRZIZLUDJZIQ-UHFFFAOYSA-N 345.424 5.187 0 40 EKAB Clc1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3S2)cc1 4376860 PNVWIHLFACUKDT-NRFANRHFSA-N 349.886 6.698 0 40 EKAB FC(F)(F)c1cc(Cl)c2nc(CSC3CCCCC3)cn2c1 12624043 YCPYEBNHYMMBRM-UHFFFAOYSA-N 348.821 5.572 0 40 EKAB CCN(C(=O)c1oc2ccccc2c1CSC)c1ccc(F)cc1 12798936 MVRPOKWQBCFVHO-UHFFFAOYSA-N 343.423 5.102 0 40 EKAB c1ccc(-c2cc3c(N4CCC[C@H]5CCCC[C@H]54)ncnc3s2)cc1 13149355 HYAFSQVOTAVYDS-CRAIPNDOSA-N 349.503 5.517 0 40 EKAB O=C(C[C@H]1C=CCC1)Nc1ccccc1SCc1ccsc1 30065387 GXDFNUBVSOOJBE-AWEZNQCLSA-N 329.490 5.335 0 40 EKAB C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 57315276 XGPDUCSHOQTBSA-QZTJIDSGSA-N 344.458 5.031 0 40 EKAB O=[S@](Nc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 59233411 YYBYTMGWMUIQQM-BFGWZNQXSA-N 344.307 5.038 0 40 EKAB Clc1cc(Cl)cc(-c2ccc(I)cc2)c1 71789850 KPZLMPOJBITKPS-UHFFFAOYSA-N 348.998 5.265 0 40 EKAB CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(OC)cc1 106992440 OPWOOHGSDWTFLJ-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB O=C(c1ccc(Br)cc1C(F)(F)F)C1CCCCC1 109710927 IFECGJLIYCPJPF-UHFFFAOYSA-N 335.163 5.231 0 40 EKAB O=C(NCc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl 118364245 RARIAPRMVKAZSX-UHFFFAOYSA-N 330.214 5.077 0 40 EKAB CCC1(CC)C[C@H](NC(=O)c2cc(C)ccc2C)c2ccccc2O1 222765169 OZUHOKXSWBHEKS-IBGZPJMESA-N 337.463 5.116 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225455361 VEOGTTGJPLHVKG-UHFFFAOYSA-N 326.465 5.125 0 40 EKAB CC(C)c1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 225539435 QRTKRZWSRCOGQB-UHFFFAOYSA-N 346.927 5.383 0 40 EKAB Cc1ccc(-n2c(-c3ccccc3)nc(=S)c3c2CCCC3)cc1 194618 GEMREHKNLAJARN-UHFFFAOYSA-N 332.472 5.456 0 40 EKAB CCN(CC)CCN1c2ccccc2Sc2c1ccc1ccccc21 1561937 NBTUMIXOWHMHSH-UHFFFAOYSA-N 348.515 5.784 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2Cl)c(C)c1 1914135 QTKZQSIGKBSUDL-UHFFFAOYSA-N 345.870 5.371 0 40 EKAB CCCCc1nc2sc3c(SCC)ncnc3c2c2c1CCC2 2340956 SIYJLTLUFAUJPH-UHFFFAOYSA-N 343.521 5.183 0 40 EKAB Cc1cc(C(=O)CSC(c2ccccc2)c2ccccc2)c(C)n1C 2617533 RBGQKHUKPJBDKK-UHFFFAOYSA-N 349.499 5.347 0 40 EKAB Clc1ccc(CSc2nnc(-c3cccs3)o2)cc1Cl 2624564 KXOAZSNVCSNYAA-UHFFFAOYSA-N 343.260 5.397 0 40 EKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)cc1 5359666 RBWPCURAOJCYAY-NSHDSACASA-N 345.468 5.334 0 40 EKAB CCCCCCOc1ccc(/C=C/c2nc3ccccc3s2)cc1 5559232 HUXGIYWCIQHRHI-NTCAYCPXSA-N 337.488 6.426 0 40 EKAB Clc1ccc(Nc2ncnc3sc4c(c23)CCC4)c(Cl)c1 5749472 WXRWWFOQRCFSFL-UHFFFAOYSA-N 336.247 5.230 0 40 EKAB Cc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1Cl 6922736 QBZOBINCYHOFJG-UHFFFAOYSA-N 349.044 5.861 0 40 EKAB Cc1ccc(-c2nc(-c3cccc(NC(=O)C4CC4)c3)sc2C)cc1 8042066 XFQYQZHHMKIIQH-UHFFFAOYSA-N 348.471 5.442 0 40 EKAB Cc1ccc(SCCNC(=O)c2ccccc2SC(C)C)cc1 8499744 POWZXZPOEXQNRZ-UHFFFAOYSA-N 345.533 5.018 0 40 EKAB CC(C)Oc1ccc(CN(Cc2ccccc2)Cc2ccncc2)cc1 13989226 LBUHFPLHHYESGA-UHFFFAOYSA-N 346.474 5.071 0 40 EKAB O=C(NC1C2CC3CC(C2)CC1C3)c1cccc2c(Cl)cccc12 14258541 MLUBYGKLKOCAMY-UHFFFAOYSA-N 339.866 5.048 0 40 EKAB C[C@H](CCN1CCN(CC[C@H](C)CC(C)(C)C)C1=O)CC(C)(C)C 16892470 ZGGKHVJOBDTDMN-HDICACEKSA-N 338.580 5.649 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 20460915 BDOFDLGMXJMUDY-AWEZNQCLSA-N 331.506 5.226 0 40 EKAB COc1cccc(-c2nc(-c3cc(C)ccc3C)c(C)s2)c1OC 25667088 UOYGRVQSUMSRPB-UHFFFAOYSA-N 339.460 5.420 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 38757277 FAGCYJWODLHZBZ-QFBILLFUSA-N 327.493 5.071 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2SC(C)C)c(C)c1 113958951 MYWILARKRSQGLW-MRXNPFEDSA-N 327.493 5.295 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225748744 YBUOQLPQHFXRES-DYESRHJHSA-N 349.515 5.568 0 40 EKAB Cc1ccc(C)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248034246 RIZITHHVCAOMEF-JBISBCIJSA-N 347.458 5.298 0 40 EKAB CCCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 408708986 VZUNVPIGPIXPGQ-UHFFFAOYSA-N 329.783 5.127 0 40 EKAB C[C@@H]1CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2ccccc21 169763 KCQPUOBABCOMQG-CYBMUJFWSA-N 328.843 5.664 0 40 EKAB CCCc1sc(Nc2ccc(OC)cc2)nc1-c1ccc(C)cc1 274522 BRJVOAFCWFFYNC-UHFFFAOYSA-N 338.476 5.823 0 40 EKAB Oc1ccccc1-c1cc(-c2ccc(F)cc2)cc(-c2ccccc2)n1 1875267 TYUXYZWLMCRCBW-UHFFFAOYSA-N 341.385 5.927 0 40 EKAB Cn1nc(-c2ccccc2)c(CSc2ccc(Cl)cc2)c1Cl 3047435 LRXHEYXELTYUJP-UHFFFAOYSA-N 349.286 5.686 0 40 EKAB FC(F)Sc1ccc(NC(=S)NCCC2=CCCCC2)cc1 3259366 QRSLAOBMJHMRDN-UHFFFAOYSA-N 342.480 5.178 0 40 EKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Cc2ccccc2)cc1 3281177 AWTUYCLXUQANSJ-UHFFFAOYSA-N 344.458 5.414 0 40 EKAB CO[C@H]1c2ccccc2C(=O)N1C1CCCCCCCCCCC1 4662579 VGXDNDRHFPFNLL-NRFANRHFSA-N 329.484 5.461 0 40 EKAB C[C@H](Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 6085853 SKFDHIXQMZIHAJ-HNNXBMFYSA-N 330.456 6.136 0 40 EKAB CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl 6439976 SXIFVNDMFUVWMQ-UHFFFAOYSA-N 326.248 5.358 0 40 EKAB Cc1ccc(O)c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 6831374 OSMQONZVYZLCPT-UHFFFAOYSA-N 345.829 6.236 0 40 EKAB Cc1ccc(F)c(NC(=O)c2sc3cccc(F)c3c2Cl)c1 6844493 VSPJRTCAXXNPBB-UHFFFAOYSA-N 337.778 5.394 0 40 EKAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1cc2ccccc2o1 7739203 BPQDAOYISJLEAH-IBGZPJMESA-N 333.412 5.014 0 40 EKAB Cc1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1 8132927 ZZCOOQAVJRCBTA-UHFFFAOYSA-N 339.439 5.020 0 40 EKAB CCc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 10332523 NATMGAXHNUNAQY-UHFFFAOYSA-N 345.442 5.613 0 40 EKAB CN1CCC[C@@H](C[C@@H]2Oc3ccccc3Sc3ccccc32)C1 13555143 ZOXQYFLPDQGMDX-YJBOKZPZSA-N 325.477 5.003 0 40 EKAB CC/C=C/CC/C=C/C/C=C/CC/C=C\CC/C=C/CCC(=O)O 15122329 PIFPCDRPHCQLSJ-LPGXCYTKSA-N 330.512 6.773 0 40 EKAB endogenous,in-man C[C@H]1CCC[C@@H](C)[N+]1=C(Nc1cccc(Cl)c1)c1ccccc1 17020398 FFFBHEBVAARNQH-IYBDPMFKSA-O 327.879 5.172 0 40 EKAB Fc1ccc(-c2cn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 32604262 QTXCRWZWZVTHII-UHFFFAOYSA-N 330.406 5.550 0 40 EKAB C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 35170251 HZJRRCMQPKSHRC-BMEPFDOTSA-N 348.273 5.220 0 40 EKAB Cc1cc(-c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)on1 71195158 DDBBKSAQWTVXAP-UHFFFAOYSA-N 335.794 5.156 0 40 EKAB COc1ccc2cc(C(=O)c3cc(Cl)cc(Cl)c3)ccc2c1 95917090 NIYRSALWMRWGTN-UHFFFAOYSA-N 331.198 5.386 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223142569 FWSIVESKMFWHLN-LJQANCHMSA-N 342.483 5.142 0 40 EKAB Cc1ccc(S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1 225092118 STSVXNYVFXWKIN-OAHLLOKOSA-N 341.259 5.090 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225624548 NPWQXENGUPYQDU-UTKZUKDTSA-N 349.515 5.405 0 40 EKAB COC(=O)c1cccc(-c2ccc(-c3nc4ccccc4s3)o2)c1 409192542 CJIHXAKGJXTRRQ-UHFFFAOYSA-N 335.384 5.010 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 36347 ONAFOBKUSMYFFG-NOZJJQNGSA-N 332.658 5.178 0 40 EKAB C[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 3347503 CISAOGKJGKNESF-CQSZACIVSA-N 331.444 5.531 0 40 EKAB Cc1sc2nc(-c3ccccn3)nc(Cl)c2c1-c1ccccc1 4204582 GUCZJEWUIAAMQU-UHFFFAOYSA-N 337.835 5.382 0 40 EKAB Cc1ccccc1NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 4649515 ZLBUPHHVCCPQPN-UHFFFAOYSA-N 335.447 5.308 0 40 EKAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 5514075 LOCIYYZGWKPXIY-UHFFFAOYSA-N 337.806 5.268 0 40 EKAB CCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 6310635 KDBXPYGZKJXPEB-UHFFFAOYSA-N 340.496 5.064 0 40 EKAB O=C1c2cccc3c(Cl)ccc(c23)N1Cc1ccc(Cl)cc1 6850540 XIDVEIRPIGHOPT-UHFFFAOYSA-N 328.198 5.307 0 40 EKAB Cc1cccc(Nc2nnc(SCc3ccccc3Cl)s2)c1 7989677 AZVMWEPOVXVPNG-UHFFFAOYSA-N 347.896 5.536 0 40 EKAB O=C(Nc1ccccc1-c1cccs1)c1ccc(Br)o1 8944998 BUBABULUYUXTIQ-UHFFFAOYSA-N 348.221 5.023 0 40 EKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 12274720 CTBDCADBRAMCJG-UHFFFAOYSA-N 325.795 5.469 0 40 EKAB Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)o2)cc1C 20196831 BWZGJWRNLSUVJP-UHFFFAOYSA-N 344.867 5.223 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 22513666 DJENQKHHSLWHSQ-HXUWFJFHSA-N 325.452 5.134 0 40 EKAB Cc1cc(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccccc12 24045149 FJNYQSPGUBHLSG-LBPRGKRZSA-N 327.453 5.077 0 40 EKAB Cc1ccc2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)oc2c1C 27995078 NMWLXZPIBSQWJK-UHFFFAOYSA-N 347.336 5.629 0 40 EKAB C[C@@H](Sc1c(Cl)cccc1Cl)c1nc(-c2ccco2)no1 29738042 DVQAVVYQIOURTN-MRVPVSSYSA-N 341.219 5.490 0 40 EKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 33857269 DBLZUTWTBPGNJZ-QBFSEMIESA-N 335.790 5.073 0 40 EKAB Cc1nc(C)c(C[S@](=O)[C@@H](C)c2ccc(Cl)cc2Cl)s1 78731022 GNIRQIWAWVAASC-GWNMQOMSSA-N 348.320 5.077 0 40 EKAB Brc1ccc(-c2cccc3c2sc2ccccc23)cc1 79062344 FIAXBPCUAUSGJH-UHFFFAOYSA-N 339.257 6.484 0 40 EKAB in-vitro CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccccc1C 225757005 KDMFEDIZOGRSAY-QGZVFWFLSA-N 332.900 5.395 0 40 EKAB CCCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)cc3)OC2)CC1 257198454 DYTFHSBEGBGUMI-DRNFRNJUSA-N 334.475 5.874 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2ccccc2c1 272971 DHVBZEQVPOEMCC-UHFFFAOYSA-N 327.383 5.254 0 40 EKAB Cc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccc(C)cc2)cc1 2302439 OHIPGTZUJCWTFD-UHFFFAOYSA-N 342.417 6.167 0 40 EKAB Fc1cc(Cl)ccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 3414937 JFZSCXRERVJNMQ-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB Fc1cccc2sc(Nc3nc4ccc(Cl)cc4s3)nc12 4137662 SRBSMKCCFPWQHS-UHFFFAOYSA-N 335.816 5.442 0 40 EKAB CCc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1 4137705 WTEXBDCIUZGPTM-UHFFFAOYSA-N 329.425 5.351 0 40 EKAB C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)C1CC1 9500128 UUPLMRKEEWPZKQ-CQSZACIVSA-N 348.471 5.005 0 40 EKAB CC(C)[C@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccccc1 10494447 DVIVTRWWEMTRIM-QRWLVFNGSA-N 336.435 5.190 0 40 EKAB Cc1ccc(SCc2nnc(-c3oc4ccccc4c3C)o2)cc1 12813231 MVLMWZIQLCQHSR-UHFFFAOYSA-N 336.416 5.392 0 40 EKAB Cc1ccc(-c2csc3ncnc(NCc4ccc(F)cc4)c23)cc1 21786825 LTJQMOYAOZJZJK-UHFFFAOYSA-N 349.434 5.418 0 40 EKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1cccs1 32845930 FQFXKOXZFCERIS-IBGZPJMESA-N 333.412 5.014 0 40 EKAB CC(C)C[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccccc1 44904365 XXTJRGRFOXQXJB-PXNSSMCTSA-N 341.520 5.212 0 40 EKAB CCCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 59041483 GGSDJARUCWGCNW-UHFFFAOYSA-N 328.462 5.051 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 78457798 BXNJQLPWRMCLHF-YGNAEDSMSA-N 348.273 5.446 0 40 EKAB S=C(CCc1ccc2ccccc2c1)Nc1ccc2scnc2c1 85436334 UIWAZHVORPEVMQ-UHFFFAOYSA-N 348.496 5.822 0 40 EKAB Cc1cccc(Cc2cc3cc(Br)ccc3nc2Cl)c1 96675828 WJIVUUGIYRDYGQ-UHFFFAOYSA-N 346.655 5.550 0 40 EKAB CCCC[C@H](C)CCOC(=O)/C=C\C(=O)OCC[C@H](C)CCCC 104172233 CLGJLUYIBOKHCU-YSLLNQIKSA-N 340.504 5.062 0 40 EKAB CCOc1ccc(CNc2ccc(C)c(C)c2)cc1Br 106979945 URTNPPMUJWOTLZ-UHFFFAOYSA-N 334.257 5.077 0 40 EKAB O=C(NC1CCCCCCC1)/C(=C/c1ccccc1)c1ccccc1 207046241 IKRKSGSHQINKAB-RELWKKBWSA-N 333.475 5.456 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(C)C)cc1 222883659 FEOZIMWQGUFLKT-HXUWFJFHSA-N 325.452 5.169 0 40 EKAB C[C@@H](CNC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 223448223 JXFFEJUWPXYTSW-SNAUHIFDSA-N 341.454 5.147 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(C)c1 408587158 RICXIXVSWNXSNE-UHFFFAOYSA-N 331.843 5.388 0 40 EKAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCc2ccccc21 408972226 NVGXMGGJLXPKBM-UHFFFAOYSA-N 348.254 5.411 0 40 EKAB COc1ccc2oc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2c1 409187953 VYHDYLWJWIJABC-UHFFFAOYSA-N 343.382 5.361 0 40 EKAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCCC(C)C)ccc12 196354 PJPYYIWJYZBZAN-UHFFFAOYSA-N 336.431 5.117 0 40 EKAB biogenic COc1ccc2c(C)c(-c3cc(=O)oc4c(C)c(C)ccc34)oc2c1 490295 IDEUTQMIDRMGGS-UHFFFAOYSA-N 334.371 5.140 0 40 EKAB biogenic Cc1ccccc1CSCC(=O)Nc1cccc(Cl)c1Cl 3601225 TZHPEYPKCDNUCN-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB Cc1cccc(OCC(=O)NC2CCCCCCCCCCC2)c1C 4827958 ONFGWBVIAWHZMR-UHFFFAOYSA-N 345.527 5.472 0 40 EKAB CCc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 7950873 WDUWAJRWDKIAKU-UHFFFAOYSA-N 331.415 5.004 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccccc1Cl 13709938 ZAHWDQMHOIQUJX-CQSZACIVSA-N 331.843 5.178 0 40 EKAB O=C(CN1CCCCC1)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 17157565 UOABAPJUJLLAFB-PLNGDYQASA-N 339.866 5.179 0 40 EKAB COc1cccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)c1 19879372 JHPOKNXDPYFIHU-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 20108369 DBPNSSLJBOJWHX-ZIAGYGMSSA-N 333.884 5.006 0 40 EKAB CC[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(C)cc1 30850880 LYMXUXASGAZPAD-SFHVURJKSA-N 347.911 5.398 0 40 EKAB Cc1nc(NC(=O)c2cc3ccccc3o2)sc1Cc1ccccc1 36639761 HPWXLZFWRUPVLU-UHFFFAOYSA-N 348.427 5.041 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)c1cc(Br)ccc1Cl 37979726 VUBNJMFIEIZTGM-UHFFFAOYSA-N 346.696 5.047 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(C)C)cc1 44841849 ZWJGSTVZPBHWFT-NRFANRHFSA-N 347.458 5.759 0 40 EKAB CCCCc1ccc(NC(=S)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 102237686 XXWRDVFBDIHAJL-NQIIRXRSSA-N 344.568 5.627 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 222968932 GNJIJEAJNLBRBO-KRWDZBQOSA-N 343.492 5.212 0 40 EKAB Cc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1Cl 225079766 QSDWYBIEJWHMIO-SFHVURJKSA-N 346.854 5.021 0 40 EKAB Cc1cc(C)c2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 248075873 IGJPANQVKYWNCK-LGLZLGMKSA-N 347.458 5.298 0 40 EKAB CC[C@H](C(=O)N[C@H](c1ccsc1)c1cccs1)c1ccccc1 822551398 IMUPUZWSIGHLCS-FUHWJXTLSA-N 341.501 5.209 0 40 EKAB COc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 202909 JGLSGBQGDPXGMM-UHFFFAOYSA-N 345.377 5.188 0 40 EKAB Cc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 297573 GFAGSWMDVHOGHK-UHFFFAOYSA-N 336.243 5.769 0 40 EKAB CCSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 527240 CMQPGOMZJUHHHR-UHFFFAOYSA-N 348.880 5.314 0 40 EKAB CCCCCN(CCCCC)C[C@@H](O)c1cc(C)ccc1Cl 2042637 NYRHDKKFGFDKBL-LJQANCHMSA-N 325.924 5.364 0 40 EKAB CC(C)(C)c1ccc(-c2nnc3sc(C4CCCCC4)nn23)cc1 2264072 MPCPYLHRKSQQEA-UHFFFAOYSA-N 340.496 5.198 0 40 EKAB Cc1ccc(NC(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 3367871 KYFZWADPCBQDRE-UHFFFAOYSA-N 333.387 5.185 0 40 EKAB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CC[C@@H](C)O 4026848 OMRDSKNXJYXBEL-KIBBFPLJSA-N 332.572 6.673 0 40 EKAB biogenic O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(Cl)c1 5749794 KXSRBMCNXMIICE-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 8040826 PKAWUHCLJVDVEY-UHFFFAOYSA-N 340.275 5.746 0 40 EKAB C[C@@H](NCc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 8534846 OARFKBXQFLSDFD-XUXNNNHQSA-N 338.322 5.688 0 40 EKAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccccc3C)ccc2c1 12981543 VIHQRFBAEAGQMF-SJORKVTESA-N 347.458 5.138 0 40 EKAB COc1ccc(/C=C(\c2ccccc2)c2nc3ccccc3[nH]2)cc1 13640769 PHMUZIYQVIUMPQ-XDJHFCHBSA-N 326.399 5.160 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709318 QBWPOIZPVGGEAQ-KRWDZBQOSA-N 347.458 5.678 0 40 EKAB O=C(O)CCCCCCCCCCCCCCCc1ccccc1 14651907 MFCNMXMQLKDGPQ-UHFFFAOYSA-N 332.528 6.775 0 40 EKAB biogenic Clc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 20411706 XXOKJTMGIQTMSW-UHFFFAOYSA-N 339.613 5.176 0 40 EKAB Cc1nc(-c2cc3cc4c(C(C)(C)C)coc4cc3oc2=O)cs1 20734793 XYOIMZVMGRPAGL-UHFFFAOYSA-N 339.416 5.269 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(F)c1F 28210611 UJDIBNHFNAWJHX-UHFFFAOYSA-N 343.304 5.149 0 40 EKAB CCC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O 31166410 KAOMOVYHGLSFHQ-UTOQUPLUSA-N 344.495 6.276 0 40 EKAB endogenous,in-man C[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 33028194 YQCHMDAUZBYDEO-FZKQIMNGSA-N 348.273 5.115 0 40 EKAB O=Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12 39964251 NGDLRNIWKKTJMK-UHFFFAOYSA-N 331.198 5.538 0 40 EKAB O=C(CCc1ccc(F)c(Cl)c1)c1c(Cl)cccc1Cl 85652006 CPICBFMLHQTGSZ-UHFFFAOYSA-N 331.601 5.601 0 40 EKAB Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Cl)cc1)CC(C)(C)O2 222636317 SUFMBXPXKXIKKY-INIZCTEOSA-N 344.842 5.072 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 222922548 QRBQCULFQBWOPP-GOSISDBHSA-N 347.405 5.058 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)CC(C)(C)C 224458562 UDXSQALUQFZAIH-LJQANCHMSA-N 341.495 5.328 0 40 EKAB CCCO[C@@]1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCC[C@@H](C)C1 225666056 OZMACSUJALIDKX-VFNWGFHPSA-N 347.499 5.016 0 40 EKAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1 225733458 KWQCFLQZPYNYSX-FQEVSTJZSA-N 335.488 5.035 0 40 EKAB CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C)cc1 584905947 CCWWJOFXZBVECC-UHFFFAOYSA-N 328.868 5.431 0 40 EKAB CCN(CC)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 46492 NXMRRUDVWMQHRN-SFQUDFHCSA-N 344.458 5.338 0 40 EKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccccc1C 71908 VNAOFDBLSCLUAZ-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(F)c1)c1cccnc1 75405 CKAQUJCPEYVPJE-NRFANRHFSA-N 331.394 5.212 0 40 EKAB O=C(Nc1cccc(F)c1)[C@@H](Sc1ccccc1)c1ccccc1 483306 XFUBUMFOHBALAW-IBGZPJMESA-N 337.419 5.298 0 40 EKAB Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1-c1ccccc1)CCCC4 2109346 SYFJZFJNLLAPAM-UHFFFAOYSA-N 344.410 5.702 0 40 EKAB biogenic Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c2c1 2387498 LQDIVAVPQDQQPD-UHFFFAOYSA-N 339.394 5.575 0 40 EKAB COc1ccc([C@H](CCN[C@@H](C)c2ccccc2)CCC(C)C)cc1 2446810 APSCIINPCPVIBE-UGKGYDQZSA-N 339.523 5.956 0 40 EKAB C1=C(c2ccccc2)CCN(CCCCc2c[nH]c3ccccc23)C1 2541533 AACJICLCLVMZKK-UHFFFAOYSA-N 330.475 5.280 0 40 EKAB c1ccc(C2=NN(c3ccc4ccccc4c3)[C@@H](c3ccccc3)C2)cc1 4828521 NWHJZEJVIAHZBT-RUZDIDTESA-N 348.449 6.196 0 40 EKAB Clc1cccc(CSc2ncnc3c2oc2ccccc23)c1 5143712 RFPIXPARUCZDDG-UHFFFAOYSA-N 326.808 5.322 0 40 EKAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1C(F)(F)F 7000697 JFYLDONDBFCQON-UHFFFAOYSA-N 341.332 5.625 0 40 EKAB C[C@H]1Cc2ccccc2N1C(=O)Cc1coc2ccc3ccccc3c12 8535511 WPPSHAYIVQBAOQ-HNNXBMFYSA-N 341.410 5.106 0 40 EKAB CC1=C(C)[C@@H](N(c2ccccc2)c2ccccc2)N(CCC(C)C)C1=O 9554196 RGAUPLWPPBKUJX-JOCHJYFZSA-N 348.490 5.376 0 40 EKAB Cc1nnc(-c2cc3ccccc3n2Cc2cccc3ccccc23)o1 9573850 IHRNVFDNFUECPJ-UHFFFAOYSA-N 339.398 5.201 0 40 EKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(C)c1 13326531 UMIRVFBLTPPRCM-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB CCC(CC)C(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835616 LVQDZAKRVNULSR-IBGZPJMESA-N 340.492 5.213 0 40 EKAB CC[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 26124125 MEENGJDALJJPQM-HNNXBMFYSA-N 341.760 5.240 0 40 EKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1cccc2ccccc12 35193760 PLZIJELGFYSFPG-XAUMDUMWSA-N 325.452 5.849 0 40 EKAB Cc1ccc2ccccc2c1C(=O)c1ccccc1Br 160808694 ZDGXXKXOMYCARZ-UHFFFAOYSA-N 325.205 5.142 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 216266684 VZGXBTSKWBKZAN-UHFFFAOYSA-N 342.653 5.445 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CCC)OCCC)cc1C 225740582 GQRYXSLDLBQDSC-NRFANRHFSA-N 349.515 5.406 0 40 EKAB CCc1ccc(NCc2ccc(OCc3ccccc3)c(OC)c2)cc1 409116548 PQKZHARALQNGSH-UHFFFAOYSA-N 347.458 5.449 0 40 EKAB Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)o2)cc1 192290 NPEFANBUWPNKHO-UHFFFAOYSA-N 333.337 5.954 0 40 EKAB Cc1cc(Cl)ccc1Oc1nc2ccccc2nc1C(F)(F)F 1382044 UMGWXWAJKGFYKK-UHFFFAOYSA-N 338.716 5.403 0 40 EKAB Cc1ccc2oc(-c3ccccc3)c/c(=N\CCc3ccccc3)c2c1 1805880 YMCZRPSAOGHPDV-YYDJUVGSSA-N 339.438 5.552 0 40 EKAB O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 1867062 PLQRPDVJMCICKR-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB Cc1ccc(-c2ccc(Cc3ccc(-c4ccc(C)cc4)o3)o2)cc1 2267564 DQXCOTWTWOTCIR-UHFFFAOYSA-N 328.411 6.414 0 40 EKAB CCc1nc2ccccc2c(C(=O)OCc2ccc(Cl)cc2)c1C 3320440 ANBSUXMYSIAASQ-UHFFFAOYSA-N 339.822 5.116 0 40 EKAB CCc1cc2c(cc1[C@@]1(C)OCC[C@@H](C)O1)C(C)(C)CCC2(C)C 4589070 CTSMPXQDFPRJET-QRQCRPRQSA-N 330.512 5.596 0 40 EKAB c1ccc2[nH]c(CCCCCCCCCC[C@@H]3COCCO3)nc2c1 4816112 NVVLMJSEXVMBJQ-GOSISDBHSA-N 344.499 5.032 0 40 EKAB CCOc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC 6207227 RGPNYTAKIILWAU-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)c1csc(-c2cccs2)n1 7919404 UPLQBANOEOONQT-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB O=C(Nc1nc2cc(Cl)ccc2s1)c1cccc2ccccc12 8560674 BMLYVTYLSMOKEM-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(SC(F)F)cc2)c(Cl)c1 11202456 NCAROQXFQJSILY-UHFFFAOYSA-N 341.810 5.524 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1Cl 13688271 MAMFZKYKHYXODS-UHFFFAOYSA-N 349.861 5.686 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1Cl 13736896 WEURIMAAUBVTJA-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB CC[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc(C)cc1 20460700 JVBNBERJNKQIMN-GOSISDBHSA-N 347.911 5.149 0 40 EKAB Cc1nc(-c2cccs2)sc1C(=O)NC(C)(C)CC(C)(C)C 65403796 YIGGJFWNMSREIL-UHFFFAOYSA-N 336.526 5.125 0 40 EKAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1 78458936 LDAUMFJXDAUSRY-FXAWDEMLSA-N 339.479 5.153 0 40 EKAB Cc1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1 100970368 XDJDOICOLVQZMC-UOYQGRGCSA-N 345.486 5.472 0 40 EKAB CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1OC 106971100 DCIBKNDJYAYNNX-UHFFFAOYSA-N 340.250 5.321 0 40 EKAB Fc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 107020291 CMOZWRLUBBDDIZ-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB C[C@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 216841698 PEMOZEWHVRTQST-GASCZTMLSA-N 338.426 5.112 0 40 EKAB Cc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225657927 ORYVVEDZAUYRMC-MRXNPFEDSA-N 326.509 5.038 0 40 EKAB CCOc1ccc(Br)cc1CNc1ccccc1CC 409115191 KVKYUCZZLUZFBS-UHFFFAOYSA-N 334.257 5.022 0 40 EKAB COc1cccc2cc(-c3cc(=O)oc4cc5c(cc34)CCCC5)oc12 489371 KAJZBFVTDCPFNQ-UHFFFAOYSA-N 346.382 5.094 0 40 EKAB biogenic O=C(Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1Cl 569689 JCVJCSDMLIHOTI-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB Fc1cccc(Oc2nc3ccccc3nc2Cc2ccccc2)c1 1390039 BEJCXTJWHRYDFV-UHFFFAOYSA-N 330.362 5.152 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)NC3CCCCCCC3)sc2c1 2085510 STZWUWOASMMSNA-UHFFFAOYSA-N 335.900 5.706 0 40 EKAB CC1CCN(c2nc(-c3ccccc3Cl)nc3ccccc23)CC1 2267386 SULKXGJPXVUAQH-UHFFFAOYSA-N 337.854 5.187 0 40 EKAB CCCCCCn1c(-c2cccs2)nc2nc3ccccc3nc21 2406717 UZRRBRUVDTZHJN-UHFFFAOYSA-N 336.464 5.288 0 40 EKAB c1csc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c1 2695496 LBHNKGXWXGCGEH-UHFFFAOYSA-N 340.451 5.966 0 40 EKAB Cc1cc2ccccn2c1C(=O)c1ccc(Oc2ccccc2)cc1 3204268 OTUBBHPMNDPHBK-UHFFFAOYSA-N 327.383 5.271 0 40 EKAB C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 3347500 CISAOGKJGKNESF-AWEZNQCLSA-N 331.444 5.531 0 40 EKAB CCc1nnc(-c2cc3cc(Oc4ccccc4)ccc3n2C)s1 4676354 UDPQMIGIIIDAJZ-UHFFFAOYSA-N 335.432 5.052 0 40 EKAB COc1ccc([C@H](c2ccc(Cl)cc2)c2ccc(C)o2)cc1OC 4860624 DZKQXBCFMAHJOK-FQEVSTJZSA-N 342.822 5.439 0 40 EKAB Cc1cc(C)c2c(n1)sc1c(N[C@H](C)c3ccccc3)ncnc12 6759274 HCEKXKZKHDFBFN-CYBMUJFWSA-N 334.448 5.029 0 40 EKAB O=C(OCc1cccc(Cl)c1)c1ccccc1Nc1ccccc1 7095764 HTOCUTLRSUMENZ-UHFFFAOYSA-N 337.806 5.441 0 40 EKAB C[C@H]1CCCCN1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 11612384 GYRZBCOYENNPNE-AWEZNQCLSA-N 337.854 5.329 0 40 EKAB CC[C@H](C)Oc1ccc(CNc2ccc(OCCC(C)C)cc2)cc1 19738213 LCRPMLLAGLDJHF-SFHVURJKSA-N 341.495 5.901 0 40 EKAB Cc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1 48310200 WTXRXNOJUZAEDI-UHFFFAOYSA-N 333.416 5.162 0 40 EKAB O=C(Nc1cc(Cl)ccc1F)Nc1ccccc1C(F)(F)F 51354258 CBNZJCNPLRXAKG-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB Oc1ccccc1-c1nc(-c2cc(Cl)sc2Cl)cs1 65565366 DXESSVULDLVFNX-UHFFFAOYSA-N 328.245 5.551 0 40 EKAB O=C(Nc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344205 YJHGMJOOVKXBTQ-HUUCEWRRSA-N 340.637 5.389 0 40 EKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2ccsc2)c2ccccc21 102844111 PHWWRFMUZQTYAF-FQEVSTJZSA-N 347.464 5.999 0 40 EKAB COC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 216848487 QAZIPZYRCGQQDK-UHFFFAOYSA-N 345.609 5.012 0 40 EKAB CC[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(C)cc1C 218999712 YZVJTOGOAXJRIN-HXUWFJFHSA-N 341.520 5.194 0 40 EKAB CCCCc1ccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)cc1 225129213 WNQQGWUYPBQQJP-QFIPXVFZSA-N 348.442 5.257 0 40 EKAB CC(C)CCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225379834 GIVFPJIEJVQBCE-UHFFFAOYSA-N 344.549 5.311 0 40 EKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225614607 RJFULZGYCFSLIU-UHFFFAOYSA-N 349.515 5.281 0 40 EKAB CCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225694670 DWKSJVNODIXCDN-OXJNMPFZSA-N 335.488 5.015 0 40 EKAB Cc1cccc(N2CCN(c3cccc(C)c3)C2c2cccs2)c1 342915 GKERZUDLXPVQSQ-UHFFFAOYSA-N 334.488 5.390 0 40 EKAB Cc1nn(-c2ccccc2)c(Cl)c1CNc1cccc2ccccc12 367552 BBNBHGJMSIUYPB-UHFFFAOYSA-N 347.849 5.599 0 40 EKAB CCN(CC)C[C@@H](C)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698642 AWRHCRZHVXPVOG-UZLBHIALSA-N 337.935 5.086 0 40 EKAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccccc1 1735863 IVJKDEPTEGVUDH-FDDCHVKYSA-N 343.470 5.725 0 40 EKAB NC1=NC2=C(CCC/C2=C/c2ccccc2)[C@H](c2ccccc2)S1 1875789 PIPGYAQPEYOBLO-PZSQYBTKSA-N 332.472 5.311 0 40 EKAB c1ccc2c(c1)SC(CCC1Sc3ccccc3S1)S2 2051088 INDJINGZDIBMAW-UHFFFAOYSA-N 334.556 6.215 0 40 EKAB CCCCS[C@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1 3117141 APXUIYCXVCMYTJ-CVEARBPZSA-N 326.889 5.341 0 40 EKAB Cc1cc(-c2c(C)sc(C)c2I)c(C)s1 4419571 FFQINLBFIASZDQ-UHFFFAOYSA-N 348.274 5.315 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 4600282 WIXLRRZQWBRBTQ-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB Cc1cccc(-c2nc3ccc(NC(=O)c4cccc(F)c4)cc3o2)c1 5619801 ARSXBZRHQJUYNV-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB O=C(Nc1ccccc1Br)Nc1cccc2ccccc12 6864967 ZSFRMMHGTNITIA-UHFFFAOYSA-N 341.208 5.246 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 8040816 IGLIFNOSLGRKCZ-QGZVFWFLSA-N 347.414 5.193 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C 12631136 MQBRVZZPKJZQTF-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1C 14258154 QHMODWPKXOVHFE-UHFFFAOYSA-N 337.463 5.369 0 40 EKAB CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(-c3ccccc3)cc2c1 16124329 COTMKLHVBITMAZ-UHFFFAOYSA-N 334.459 6.055 0 40 EKAB C[C@@H]1CC(C)(C)N(C(=O)Nc2cccc3ccccc23)c2ccccc21 16608514 MOQOAJKPSMAWNX-MRXNPFEDSA-N 344.458 6.164 0 40 EKAB O=C(Oc1ccc2ccccc2c1)c1csc(-c2ccsc2)n1 21586961 LLAGPHGJHHBKKD-UHFFFAOYSA-N 337.425 5.244 0 40 EKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@]12C 25549111 LFDDUQXVBIIJBD-APFKEWBISA-N 344.583 6.529 0 40 EKAB CC(C)(C)c1cc(-c2cnc3n2CCCC3)cc(C(C)(C)C)c1O 26506712 DUKRFGMSGPZMGD-UHFFFAOYSA-N 326.484 5.187 0 40 EKAB CCCC(=O)Nc1nc(-c2ccc(-c3ccc(C)cc3)s2)cs1 27913648 ALEDPMSVKKHYRO-UHFFFAOYSA-N 342.489 5.586 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)OC 33838559 ABGHYAFHPINIHF-SHDWVJIKSA-N 346.555 7.085 0 40 EKAB Cc1ccccc1NC(=S)N[C@@H](c1cccs1)C1CCCC1 44079688 VKHUZICSXCUMIV-QGZVFWFLSA-N 330.522 5.274 0 40 EKAB CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 96653605 JMFOKWPVPJZTKT-UHFFFAOYSA-N 343.854 5.239 0 40 EKAB C[C@]12CC3CC(NC(=O)Nc4cccc5ccccc45)(C1)C[C@](C)(C3)C2 100980738 NBLJRYLEFRRPAT-AYVAEDQWSA-N 348.490 5.710 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)cc(C)c1 222905329 SFOLMFJLFTWMML-FQEVSTJZSA-N 339.479 5.397 0 40 EKAB Cc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(C)c1 225638454 KKIMQLBVBCSHBD-DEOSSOPVSA-N 343.470 5.060 0 40 EKAB CCO[C@@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@H](C)C1 225718168 KNYFPYDYZRMRLT-BTYIYWSLSA-N 347.499 5.015 0 40 EKAB S=C(Nc1ccc(OC2CCCC2)cc1)NC1(C2CC2)CCCC1 225869275 AMXYPQRQGDRRRM-UHFFFAOYSA-N 344.524 5.017 0 40 EKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)sc2c1 148013 UFRHQWCUHUPDBJ-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB c1ccc2c(c1)O[C@H](CCCN1CCCCC1)c1ccccc1S2 347509 HKTRXPBQEMJXKL-GOSISDBHSA-N 339.504 5.537 0 40 EKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccc(Cl)cc2Cl)C1 460392 BPOSXTCPCGWVTP-SJCJKPOMSA-N 326.267 5.034 0 40 EKAB COc1cccc2cc(-c3cc(=O)oc4ccc(C(C)(C)C)cc34)oc12 491370 DPVORKIRCYPAPH-UHFFFAOYSA-N 348.398 5.512 0 40 EKAB biogenic CC[C@H](C)c1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 505805 JRGYYCASFONBPN-IRXDYDNUSA-N 339.479 5.731 0 40 EKAB CC(C)(C)c1cc2cccnc2n1Cc1ccc(Cl)cc1Cl 1402662 OEZFNQVYXBKFIM-UHFFFAOYSA-N 333.262 5.689 0 40 EKAB O=C(CCc1cccc(Br)c1)c1cc(F)cc(Cl)c1 2516729 YTTDRRSISQWSHC-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl 2566937 AIURIRUDHVDRFQ-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB Cc1nc(Sc2ccc3ccccc3c2)c2c3c(sc2n1)CCC3 2679639 PSMYJRNHGCEAAN-UHFFFAOYSA-N 348.496 5.793 0 40 EKAB c1coc(-c2cc(-c3nc4ccccc4s3)c3ccccc3n2)c1 3226131 LGGGSJKWLYKHDB-UHFFFAOYSA-N 328.396 5.772 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc2c(s1)CCC2 3230506 AQCXNNBAGDWYKV-UHFFFAOYSA-N 335.428 5.281 0 40 EKAB O=C(c1cc2ccccc2o1)N(Cc1c(F)cccc1Cl)C1CC1 6650712 LKXBZBUVKARXCS-UHFFFAOYSA-N 343.785 5.030 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 8040821 OGEVKPZCRCRVNP-UHFFFAOYSA-N 339.382 5.458 0 40 EKAB CCN(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1 9679191 RKGBFKACRAKZJH-UHFFFAOYSA-N 331.459 5.288 0 40 EKAB CSc1nc(-c2ccccc2)c(NC(=O)CCC2CCCC2)s1 12890044 CEGIKCZQCKRZSH-UHFFFAOYSA-N 346.521 5.441 0 40 EKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 14258085 DWHTXENTMQUVJC-UHFFFAOYSA-N 346.789 5.272 0 40 EKAB CCCCc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 14258352 BTDLCPLZFPEMGU-UHFFFAOYSA-N 337.850 6.088 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2SC(F)F)c1 15356143 RLUHBFQCSQXQLH-CYBMUJFWSA-N 335.419 5.109 0 40 EKAB CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1 20489463 IMHZCWJJJDTZDM-QGZVFWFLSA-N 333.884 5.008 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 32999783 JHWWLLBSUUCNRU-CQSZACIVSA-N 331.843 5.089 0 40 EKAB CCCOC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 85398401 PSRURTNLKZRZLU-UHFFFAOYSA-N 336.435 5.094 0 40 EKAB C[C@H]1C[C@H](C)CN(Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 216790353 GHABUJYCKRGMHW-GJZGRUSLSA-N 338.426 5.112 0 40 EKAB CC[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(C)cc1C 220019838 PMQKNGNSAGQMRE-LJQANCHMSA-N 329.871 5.157 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc3ccccc23)cc1 222872117 CCGXMVURRLRMIC-OAQYLSRUSA-N 333.431 5.198 0 40 EKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OC 409117840 OQKRCXHLEUABNF-UHFFFAOYSA-N 340.250 5.321 0 40 EKAB O=C(Nc1coc2ccc(Cl)cc12)c1ccc(C(F)(F)F)cc1 109522 CZYNNFCBTWSPLD-UHFFFAOYSA-N 339.700 5.357 0 40 EKAB Cc1sc2ncnc(Oc3ccc(Cl)cc3Cl)c2c1C 121003 CJNFHQQELQJYQZ-UHFFFAOYSA-N 325.220 5.407 0 40 EKAB Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)cc1 427524 VWBCSGXVBPDELV-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB Cc1cccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)c1 2352446 FIAITAXHUPNJQA-UHFFFAOYSA-N 344.845 6.373 0 40 EKAB Cc1cc(C)c(NC(=O)Cc2c(Cl)cccc2Cl)c(Cl)c1 6236791 LIBSRLQBMFUCEI-UHFFFAOYSA-N 342.653 5.445 0 40 EKAB O=C(CCSCc1ccccc1)Nc1ccc2c3c(cccc13)CC2 10613866 DEUPBCPPONGCSY-UHFFFAOYSA-N 347.483 5.200 0 40 EKAB Clc1ccc(Br)cc1-c1nc2cccc(Cl)c2[nH]1 20156695 JWRZUBBJBVUXEZ-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB Cc1ccc(N[C@@H](CC(=O)c2ccc(F)cc2)c2ccccc2)cc1 35586116 YVTIWRDIEHXJEJ-NRFANRHFSA-N 333.406 5.560 0 40 EKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1O 76272809 SBOZRNSLIIDTLD-UHFFFAOYSA-N 335.403 5.195 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccccc2SCC)cc1 80345850 JQRFZKRWQCGVHZ-UHFFFAOYSA-N 329.465 5.230 0 40 EKAB C[C@@H]1C[C@@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1 95117632 LCYCPCASWDKMMA-VGOFRKELSA-N 342.442 5.279 0 40 EKAB Clc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1Cl 216744081 MXFOEEXZFGOSBI-UHFFFAOYSA-N 329.186 5.592 0 40 EKAB CC[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc(C)cc1 222675837 LQDUQAFEBNDOIT-QFIPXVFZSA-N 331.459 5.348 0 40 EKAB O=C(NCC1CCCCC1)c1ccccc1SCc1ccccc1 224093852 FBSANXBYFSHTSQ-UHFFFAOYSA-N 339.504 5.289 0 40 EKAB CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2)cc1 47445 ZCFZUYRDEYZQOG-UHFFFAOYSA-N 345.442 5.030 0 40 EKAB Fc1nc(Nc2ccccc2)c2c(c1Cl)Oc1ccccc1O2 551573 OLMLEIUYSMYMLH-UHFFFAOYSA-N 328.730 5.516 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1C 570238 AHHMHKWHEGMEHP-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB O=C(/C=C/c1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 587223 PTUGWKBTESGOPK-DHZHZOJOSA-N 342.225 5.799 0 40 EKAB O=C(NC1CCCCCCC1)C1(c2ccc(Cl)cc2)CCCC1 3273569 NGIFAUIWWZDSLI-UHFFFAOYSA-N 333.903 5.381 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(F)c(-c3nc4ccccc4o3)c2)cc1 4050879 QVQAPLUJCCMYMS-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB CCn1cc(NC(=O)Nc2ccccc2SC)c2ccccc21 5266147 CCDNJTCWSBJRSE-UHFFFAOYSA-N 325.437 5.027 0 40 EKAB C(=C/c1ncc(-c2ccccc2)cc1-c1ccccc1)\c1ccccc1 5495395 TZFVUFCCZYLKLS-WUKNDPDISA-N 333.434 6.586 0 40 EKAB CC(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1Cl 6152096 AENFSPVUCNZYSU-UHFFFAOYSA-N 338.234 5.134 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3cc(C)ccc3C)o2)cc1 11690451 VJMDZMHGIHPLPP-UHFFFAOYSA-N 333.431 5.443 0 40 EKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 13716927 BRBAMLHXSANABP-UHFFFAOYSA-N 337.507 5.673 0 40 EKAB COc1ccc(/N=c2\ssc(SC)c2-c2ccccc2)cc1 17748626 OUWMSICCBLJNPK-VLGSPTGOSA-N 345.514 5.440 0 40 EKAB Cc1ccc(-c2csc3ncn([C@H](C)c4ccccc4)c(=O)c23)cc1 21790204 OTGSRHNXVDVWGZ-OAHLLOKOSA-N 346.455 5.043 0 40 EKAB O=C(Nc1ccccc1)c1ccc(COc2cccc3ccccc23)o1 32611600 OJDRSJZOSBDTPE-UHFFFAOYSA-N 343.382 5.264 0 40 EKAB CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OCC 33683182 PYVCCFLKWCNDQZ-MVKOLZDDSA-N 336.560 7.143 0 40 EKAB Cc1ccc(-c2ccsc2C(=O)NCc2cc3ccccc3[nH]2)cc1 58357431 IPPUTYQMZDMJOE-UHFFFAOYSA-N 346.455 5.135 0 40 EKAB CC[C@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 72332584 SUGKAAYYHYCKPD-YOEHRIQHSA-N 332.856 5.071 0 40 EKAB COC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 73635315 LINUBENEVGMPJS-UHFFFAOYSA-N 338.215 5.057 0 40 EKAB COc1cc(C=O)c(Cl)cc1OCc1c(Cl)cccc1Cl 95094969 GOJGWMZHJMLRHC-UHFFFAOYSA-N 345.609 5.047 0 40 EKAB CC(C)c1cnc(C[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)o1 95414537 UNQUHSIODKQJAB-LADRHHBVSA-N 346.279 5.115 0 40 EKAB C[C@]12CC[C@@]3(CS3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 118918327 NHSADEZTTCEMTD-VNMDENKTSA-N 334.569 5.266 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc2ccccc12 222976950 PCFSSEXAVPKNOK-NRFANRHFSA-N 333.431 5.253 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1C 223396467 VOEFMBMOJYCDAR-JCVNQNCUSA-N 327.855 5.156 0 40 EKAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1 68217 RQWIKABNQVGIOZ-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)cc1 240145 CJWYVVIUOLZHCU-UHFFFAOYSA-N 344.458 5.273 0 40 EKAB CCCC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 532101 RTBYBTOBJPKVID-UHFFFAOYSA-N 342.489 5.327 0 40 EKAB CCCCc1ccc2nc(NC(=O)/C=C/c3ccc(C)o3)sc2c1 2653166 LALMHAHUXUWWQA-PKNBQFBNSA-N 340.448 5.192 0 40 EKAB Cc1c(C(=O)Nc2ccc(-c3ccccc3)cc2)oc2ccccc12 2706693 IEJCPVJCMRNNIW-UHFFFAOYSA-N 327.383 5.661 0 40 EKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1Cl 3190268 JRVJEJUQHPABIN-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CN1c2ccc3ccccc3c2C(C)(C)[C@]12C=Cc1cc(O)ccc1O2 3999628 LFTVLSDFPHCWHA-HSZRJFAPSA-N 343.426 5.075 0 40 EKAB biogenic COc1cccc2sc(Nc3nc(-c4cccs4)cs3)nc12 4137628 ICXKNERPPZNDCB-UHFFFAOYSA-N 345.474 5.234 0 40 EKAB CC(C)(C)c1ccc(NC(=S)Nc2ccc(C(C)(C)C)cc2)cc1 4300140 DRSMSPWIHATWFM-UHFFFAOYSA-N 340.536 6.091 0 40 EKAB Clc1ccc(Sc2ncnc3oc(-c4ccccc4)cc23)cc1 6927818 RRJLUCSXSVPUFV-UHFFFAOYSA-N 338.819 5.694 0 40 EKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OC 6959202 DVGZKGVVLNZAKN-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Cc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3cccs3)C2)cc1 9135181 AASBMUAHYKCYNY-MRXNPFEDSA-N 339.489 5.177 0 40 EKAB CC(C)c1ccc2oc(=O)cc(-c3cc4cc(Cl)ccc4o3)c2c1 11869694 AQBBWZAVTYIYEI-UHFFFAOYSA-N 338.790 5.983 0 40 EKAB biogenic Cc1ccc(NCCC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 12462328 QDWDSXHYGMRWOW-UHFFFAOYSA-N 329.871 5.631 0 40 EKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc2ccccc12 14077738 JUBRCMHALVZAOJ-UHFFFAOYSA-N 330.431 5.082 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1Cl 16221597 VGYNNFOLVFRIDU-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB CC[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 20512741 WSVCCIWICMJADT-QGZVFWFLSA-N 329.399 5.718 0 40 EKAB c1ccc2c(c1)CSC(SCc1ccc(-n3cccn3)cc1)=N2 21737423 YMZZQIMDOCIKBL-UHFFFAOYSA-N 337.473 5.040 0 40 EKAB CCCCCN(CCCCC)CCN(CCCCC)CCCCC 22859102 MPAOWNJUCRLLEQ-UHFFFAOYSA-N 340.640 6.351 0 40 EKAB CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(N)=S 34742289 RBDFBEPKVUICAS-UHFFFAOYSA-N 328.481 5.381 0 40 EKAB FC(F)(F)c1cc(Nc2nc3ccccc3o2)cc(C(F)(F)F)c1 39333780 OSDJYIOTKRNMJF-UHFFFAOYSA-N 346.230 5.609 0 40 EKAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1 41091130 CUKQHMINGWDQMM-UHFFFAOYSA-N 349.883 5.189 0 40 EKAB COc1ccc(Nc2nc(-c3ccccc3Cl)cs2)c(OC)c1 67321793 WKQFVBQHTTXEBS-UHFFFAOYSA-N 346.839 5.224 0 40 EKAB CC(C)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 216913281 YGQMQHJSLPNWLO-UHFFFAOYSA-N 349.659 5.769 0 40 EKAB CCc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1 225763992 RPIFVSJTQGGLEK-FQEVSTJZSA-N 340.536 5.550 0 40 EKAB CN1CCC([C@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 347782 KGFKMQPKZITFIV-LJQANCHMSA-N 345.895 5.267 0 40 EKAB CC(C)=CCC/C(C)=C/COc1cc2oc(=O)cc(C)c2cc1Cl 2438302 XYLYAWLNQVWPAO-RIYZIHGNSA-N 346.854 5.826 0 40 EKAB biogenic CC[C@H](C)NC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1 2805286 MORGUCRJFRLVOS-HNNXBMFYSA-N 345.870 5.064 0 40 EKAB CCOc1ccc(-c2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)cc1 3325941 LPSQIAIKZIFVAG-UHFFFAOYSA-N 340.448 5.023 0 40 EKAB CCCC[C@H](c1ccccc1)N(C)C[C@H](O)c1ccc(Cl)cc1 4416430 FEJCWBIFNFWDAV-UXHICEINSA-N 331.887 5.237 0 40 EKAB O=C(NCc1ccc(Cl)cc1)C1(c2ccc(Cl)cc2)CCCC1 6078910 IIMIRFKPCMDCMQ-UHFFFAOYSA-N 348.273 5.122 0 40 EKAB Cc1ccc(Oc2nc3ccccc3nc2Cc2ccccc2)c(C)c1 6189792 HOWWDMKIGLQPRC-UHFFFAOYSA-N 340.426 5.630 0 40 EKAB COc1cccc(/C=C/c2nc3cc(Cl)ccc3o2)c1OC(C)C 8321258 NWIRCGPONSGPAJ-JXMROGBWSA-N 343.810 5.447 0 40 EKAB Cc1ccc(CCC(=O)NCCCc2ccc(C(C)C)cc2)cc1C 225676481 CTSIWBPZWOAJMH-UHFFFAOYSA-N 337.507 5.108 0 40 EKAB CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225721072 YVZJGDIXAXUKAS-UHFFFAOYSA-N 347.499 5.098 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2ccc(F)c(F)c2)C(C)C)c(C)c1 225765161 LZMJOKHLCDQMFX-GOSISDBHSA-N 348.462 5.265 0 40 EKAB Cc1ccc2oc(C3=CCN(Cc4ccc(Cl)cc4)CC3)nc2c1 226251269 AAGBPFZHRKSKMW-UHFFFAOYSA-N 338.838 5.079 0 40 EKAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc(Cl)cc3)cc21 75412 RUPUCWYRDHVEEG-UHFFFAOYSA-N 327.811 5.167 0 40 EKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 290098 OGKRVSYQEOWVQI-NRFANRHFSA-N 346.405 5.159 0 40 EKAB COc1ccc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1 1281066 RXCOPTVGNPFBDI-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB OC(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 1385765 OKDMLEKFSFOUCE-UHFFFAOYSA-N 345.316 5.239 0 40 EKAB C[C@@H]1CC(C)(C)C[C@@](OCCN2CCCCC2)(c2ccccc2)C1 1621634 SEINAULMIKRPHQ-DENIHFKCSA-N 329.528 5.231 0 40 EKAB in-vitro Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1 2521614 GXNNLIMMEXHBKV-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)cc1 5033274 IZTASZVGGMMABI-UHFFFAOYSA-N 341.794 5.169 0 40 EKAB CCC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 5591395 MSNXALVXHJPDKK-CQSZACIVSA-N 338.476 5.646 0 40 EKAB Cc1ccc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)s1 6908857 XZNFVZOQZOAIGF-GHXNOFRVSA-N 337.231 5.096 0 40 EKAB Clc1ccc(CSc2nnc(-c3ccccc3)[nH]2)c(Cl)c1 7472462 ZLLOJWLIHMBKFF-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1CNC1CCCCCCC1 7523539 OWGDDJPIKLIMLF-UHFFFAOYSA-N 330.299 5.595 0 40 EKAB CC(C)c1ccc(CC(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 10096273 QHRDHFJFSUNABX-UHFFFAOYSA-N 348.471 5.019 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 12026412 XCNWPIVNAMBAKR-SFHVURJKSA-N 337.507 5.970 0 40 EKAB Cc1cc(C)cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 13937640 NMUFLEKGIPUFAS-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB COc1ccc(C)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1 16696730 CCXFTVHDCYNKJH-OAQYLSRUSA-N 339.523 5.644 0 40 EKAB in-vitro C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 28605140 RCASHQUXOXQIGC-BBRMVZONSA-N 334.444 5.072 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 30874058 SDRZMCHQVBZCHE-FQEVSTJZSA-N 335.834 5.168 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225624618 JENNBVALGOEFDB-NRFANRHFSA-N 349.515 5.262 0 40 EKAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2ccccc12 225794146 LXYBJEZCHAADNM-OAQYLSRUSA-N 343.467 5.018 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)c2ccccc12 225797791 DTCHTVYPVYYOHK-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 245333863 BJQLPOYHBJQLJD-ZDBLOTDCSA-N 343.898 5.916 0 40 EKAB O=C(Nc1cccc2ccccc12)c1sc2ccccc2c1Cl 44585 AHJNDJZEKSEJSN-UHFFFAOYSA-N 337.831 5.960 0 40 EKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3C)nc2c1 105943 BTKHRUWJPIWACR-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(F)c1)c1ccccn1 1448670 KQFCEDFLQZHVGJ-NRFANRHFSA-N 331.394 5.212 0 40 EKAB CCCCCCC1(/C=C/c2ccc(Cl)c(Cl)c2)OCCO1 1565029 FRZRNKRJFAQXCX-CSKARUKUSA-N 329.267 5.720 0 40 EKAB Clc1ccc(NN(Cc2ccncc2)c2ccc(Cl)cc2)cc1 1723177 RVFRHSFHAZEEQE-UHFFFAOYSA-N 344.245 5.422 0 40 EKAB S=c1[nH]c(-c2ccccc2)nc2c1Cc1cc(Cl)ccc1O2 2698664 HDCWDFBHKRBPDK-UHFFFAOYSA-N 326.808 5.156 0 40 EKAB O=C(Nc1ccc(F)cc1)[C@H](Sc1ccccc1)c1ccccc1 2736572 PGWQXBZGCJRKSY-LJQANCHMSA-N 337.419 5.298 0 40 EKAB Fc1cccc(Cl)c1CSc1nnc2sc3ccccc3n12 3355437 QNPCWAJPENERFS-UHFFFAOYSA-N 349.843 5.029 0 40 EKAB Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)s1 3911587 FXXRUFSHAZKEDF-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB CCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 4949034 QQJJLCRUXJSVGE-UHFFFAOYSA-N 338.838 5.085 0 40 EKAB Cc1ccc(-c2cn3cc(-c4ccc(C)cc4)n4c3c2CCCC4)cc1 6032791 BNBJEMUNWVDRCW-UHFFFAOYSA-N 340.470 6.028 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1C(F)(F)F 6510660 MSHFONFNHFSABY-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](O)c1ccccc1 6829661 LGWPZWRZPMNUGB-LJQANCHMSA-N 340.315 5.029 0 40 EKAB Clc1ccccc1Sc1ncnc2oc(-c3ccccc3)cc12 6927820 XOBAYCSIEGVLNY-UHFFFAOYSA-N 338.819 5.694 0 40 EKAB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccccc1 8435929 OGARLLUTZAWTFM-UHFFFAOYSA-N 340.854 5.002 0 40 EKAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)c1 13075422 BBPXBZJFYYKOHV-UHFFFAOYSA-N 342.870 5.281 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N1[C@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 16428305 YSCXRXOBOHVHEX-USTZCAOPSA-N 332.875 5.305 0 40 EKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 20458020 REZRFJHXKKPKNH-VGOFRKELSA-N 347.458 5.183 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1C 33027690 XWYLUOAJEHPVOS-UHFFFAOYSA-N 347.458 5.752 0 40 EKAB Fc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)c(Cl)c1 67219616 XADZVOSHAJFZNX-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB Clc1cnc2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl 216755016 LUZQUUYCLYFWER-UHFFFAOYSA-N 335.832 6.155 0 40 EKAB Cc1ccc(NC(=S)NCCSC2CCCCC2)cc1Cl 225357213 GILNHOZACSJKGD-UHFFFAOYSA-N 342.961 5.001 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c(C)s1 408581336 WGAGBUCVENKVFT-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CCOc1ccc(Nc2nc(-c3ccc(C)cc3C)c(C)s2)cc1 409047951 QDCMQVUPGSGGKE-UHFFFAOYSA-N 338.476 5.878 0 40 EKAB c1ccc(-c2cc(-c3ccccc3)n3ncc(-c4ccccc4)c3n2)cc1 51709 ASFTYOQVGOFKMR-UHFFFAOYSA-N 347.421 5.730 0 40 EKAB COc1ccc(-c2nc3cccc(C)n3c2NC2CCCCC2)cc1 319866 YMKBXRUTJNCZAI-UHFFFAOYSA-N 335.451 5.063 0 40 EKAB CC(C)CC[C@]1(CCN[C@H](C)c2cccs2)CCOC(C)(C)C1 2450230 NUYURMBOCIDFQI-XLIONFOSSA-N 337.573 5.800 0 40 EKAB CSc1ccc(CCC(=O)c2cc(Cl)ccc2Cl)cc1 2516682 OODNHEFJGPHFIX-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB c1ccc(CNc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 3252746 BUQJYGGXRHPXES-UHFFFAOYSA-N 342.467 6.089 0 40 EKAB Cc1ccc(CN(CCc2ccc(Cl)cc2)Cc2ccc(C)o2)o1 4699211 NPTBCKUALAIIFN-UHFFFAOYSA-N 343.854 5.388 0 40 EKAB Cc1nc(Nc2cccc(C(F)(F)F)c2)c2oc3ccccc3c2n1 5180060 MRJJPSHHUNGABG-UHFFFAOYSA-N 343.308 5.447 0 40 EKAB Cc1ccc(SCCC(=O)Nc2ccc3nc(C)sc3c2)cc1 5191012 ADNQAGIMZCPEEF-UHFFFAOYSA-N 342.489 5.034 0 40 EKAB Cc1ccc(OCCn2cc(C(=O)C(C)(C)C)c3ccccc32)cc1C 6044496 IPZJMAAWJCDNBO-UHFFFAOYSA-N 349.474 5.566 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3F)o2)c(Cl)c1 14227380 GGZYMROXCRDYTP-UHFFFAOYSA-N 343.785 5.608 0 40 EKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)cc1O 15263983 PZHNKNRPGLTZPO-VZRGJMDUSA-N 328.496 6.368 0 40 EKAB endogenous,in-man CCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1ccc(O)cc1 16711412 YVLSKUXDQDYHHB-DQRAZIAOSA-N 346.455 5.328 0 40 EKAB CCCc1cc(Nc2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1 27585147 DLJVAYQDPHPUPO-UHFFFAOYSA-N 346.409 5.232 0 40 EKAB O=C1CS[C@@H](c2cccc3ccccc23)N1c1ccc(Cl)cc1 38330181 JPIQDNHHNWOCHJ-IBGZPJMESA-N 339.847 5.272 0 40 EKAB Cc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccccc2)cc1 44085437 HIDBMUIDQTYERK-UHFFFAOYSA-N 348.515 5.942 0 40 EKAB CCOc1ccc2nc(Nc3nc4cc(C)cc(C)c4o3)sc2c1 57353027 ODDXNDHCDJMBJF-UHFFFAOYSA-N 339.420 5.197 0 40 EKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccccc1Cl 66012454 QUQPRODNOZRZFN-CQSZACIVSA-N 346.927 5.383 0 40 EKAB CCCOc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C 95915471 OFCBSPVMPWHSKK-UHFFFAOYSA-N 327.306 5.833 0 40 EKAB CC(C)c1ccccc1NC(=O)CSc1cccc2cccnc12 164235874 CSDHHWHSNHFAJJ-UHFFFAOYSA-N 336.460 5.089 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225700540 VQFPFFQDHKHZID-OXQOHEQNSA-N 335.488 5.096 0 40 EKAB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1C1CCCCC1 409023622 ZWFFGCNICCNASY-GZTJUZNOSA-N 346.496 5.055 0 40 EKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C1CC1 169667 RTMDOGRVNUWUIB-UHFFFAOYSA-N 347.530 5.506 0 40 EKAB Cc1cccc(C(=O)Oc2c(Cl)cc(Cl)c3cccnc23)c1 264556 YRQUQZJKLAYDHN-UHFFFAOYSA-N 332.186 5.069 0 40 EKAB Cc1cc(Cl)c(-c2nc3cc(Cl)ccc3o2)c(Cl)c1N 569862 XIIFJXPFDDIAMM-UHFFFAOYSA-N 327.598 5.346 0 40 EKAB FC(F)(F)c1cnc2c(-c3ccccc3)nn(-c3ccccc3)c2c1 3106106 SOOISEGSEQGXEM-UHFFFAOYSA-N 339.320 5.106 0 40 EKAB CC(=O)c1cn(CCOc2cc(C)ccc2C(C)C)c2ccccc12 3656369 QYRNCZTWJUUQNV-UHFFFAOYSA-N 335.447 5.355 0 40 EKAB COc1ccc2c(c1)CC1(CCC(c3ccc(C(C)(C)C)cc3)CC1)C2 3851665 GAPBGZWYPFKNPC-UHFFFAOYSA-N 348.530 6.436 0 40 EKAB biogenic CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 4073848 JNABCHQTKFQDJL-KEAUJAQMSA-N 340.507 5.136 0 40 EKAB biogenic Cc1ccccc1-c1nc2ccccc2n1CCOc1ccccc1 4317678 DHMZFNUSLJDVNO-UHFFFAOYSA-N 328.415 5.091 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 4560666 XCLCGFZLQIJTCJ-UHFFFAOYSA-N 345.486 5.715 0 40 EKAB Clc1ccc(Cl)c(CSc2nc3ccccc3[nH]2)c1Cl 5181910 JGIFXCFYJLSYPO-UHFFFAOYSA-N 343.666 5.815 0 40 EKAB Cc1cc(C)cc(Nc2nc(-c3ccc(CC(C)C)cc3)cs2)c1 5336837 FQLCIHPVFWNSKM-UHFFFAOYSA-N 336.504 6.369 0 40 EKAB CCOc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1 5585897 VLMBTKKPYTZZOC-UHFFFAOYSA-N 332.375 5.231 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC=CCC2)cc1 7735554 MSIQXOOXSFIUGV-MRXNPFEDSA-N 337.419 5.172 0 40 EKAB O=C(OCc1ccccc1)/C(=C/c1ccc(F)cc1)c1cccs1 7737181 GFBHCBHLEMZXSG-QGOAFFKASA-N 338.403 5.171 0 40 EKAB Cc1c(-c2cc(=O)oc3ccc(Cl)cc23)oc2ccc(Cl)cc12 11869907 ODPQGZMCUYIUQF-UHFFFAOYSA-N 345.181 5.821 0 40 EKAB biogenic CCCC[C@H](CC)COCCNCCOC[C@H](CC)CCCC 16637704 NLFVPFWRZJSSOV-BGYRXZFFSA-N 329.569 5.042 0 40 EKAB Cc1ccc(CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1 16842549 MTXNJQHFWOTASF-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB CC[C@H](C)c1ccccc1O[C@H](C)CNc1ccccc1OC(C)C 19737495 PDSBZNHGOYNLTC-ZWKOTPCHSA-N 341.495 5.867 0 40 EKAB CC[C@@H](CNc1ccc(OCCC(C)C)cc1)Oc1ccccc1 19738207 UAHDFFJEJNMFNL-IBGZPJMESA-N 327.468 5.381 0 40 EKAB CCCCc1ccc2nc(Nc3nc4ccc(C)cc4o3)sc2c1 57352891 QXIIMBMWNXJDQX-UHFFFAOYSA-N 337.448 5.832 0 40 EKAB O=[S@@](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl 58131902 SLHFTDWJMMTRCI-LJQANCHMSA-N 333.667 5.096 0 40 EKAB CCN(CC)c1ccc(NC(=S)Nc2cc(C)ccc2F)c(C)c1 71325937 MZVVQOCAJAQXDG-UHFFFAOYSA-N 345.487 5.098 0 40 EKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 72217359 QFSJBKCONPMCGK-AWEZNQCLSA-N 336.501 5.044 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 225312192 DUNBKRFAHDGBBK-OAHLLOKOSA-N 343.426 5.639 0 40 EKAB CC(C)c1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1 226295097 IUPYKSNOLZKUML-UHFFFAOYSA-N 343.426 6.197 0 40 EKAB CCc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)s1 409061727 GUXPNFJCGSGQCO-ZROIWOOFSA-N 349.864 5.205 0 40 EKAB CCCOc1c(Cl)cc(CNc2cccc(C)c2)cc1OCC 409110306 BKWKVLVSCNDZSB-UHFFFAOYSA-N 333.859 5.448 0 40 EKAB Cc1ccc(C)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 995007 OAQMRNAVWYRUPY-UHFFFAOYSA-N 329.443 5.464 0 40 EKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc2ccccc12 1020892 QPTLENGLAFTODC-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccccc1 2288461 JKNFEVUDHLHSCL-LJQANCHMSA-N 347.395 5.840 0 40 EKAB CCCCC[C@@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2734300 JEBXGQMNQADRHC-YLJYHZDGSA-N 341.520 5.605 0 40 EKAB C[C@@H]1CCc2sc(C(=O)Oc3cccc(Cl)c3Cl)cc2C1 3364880 IDLRIOFAIOHIGS-SECBINFHSA-N 341.259 5.399 0 40 EKAB CCCC(=O)Nc1cc(Cl)ccc1Sc1ccc(C)cc1C 6053765 SMRDNLJTWRBHGK-UHFFFAOYSA-N 333.884 5.847 0 40 EKAB CCOc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCC 6656446 BAMGZMPDYUFRSC-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB Cc1cc(C)c(NC(=O)CNc2ccccc2-c2ccccc2)c(C)c1 11618710 QLJBIENOYHXTJR-UHFFFAOYSA-N 344.458 5.329 0 40 EKAB Nc1ccc(Oc2ccc(Cc3ccccc3)cc2)c(C(F)(F)F)c1 14630262 VIFGVGIOZPZYMR-UHFFFAOYSA-N 343.348 5.671 0 40 EKAB CC[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 17070992 PZAJTKWJPFDWRN-OAHLLOKOSA-N 338.398 5.143 0 40 EKAB Cc1cccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)c1 27664009 XGLTVJWEFGXYHI-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(SC2CCCC2)cc1 30182292 UBKGWGGYWHSGGP-UHFFFAOYSA-N 344.480 5.393 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C(C)C)C(C)C 30871161 GIRSUEDISBUOAE-HNNXBMFYSA-N 327.921 5.008 0 40 EKAB Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 38822850 IBBQUCJURNNONW-JOCHJYFZSA-N 346.861 6.004 0 40 EKAB CCCCc1ccc2nc(C)cc(Nc3cccc(C(=O)O)c3)c2c1 78401750 HPWUVRKXQDBEJB-UHFFFAOYSA-N 334.419 5.328 0 40 EKAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 113951981 PPHMZGQSSMWVSJ-NRFANRHFSA-N 349.430 5.035 0 40 EKAB CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223474434 AMOIOZPGKIVEND-INIZCTEOSA-N 327.493 5.215 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 112281 YGEIDAUDBFUCML-RMKNXTFCSA-N 325.717 5.011 0 40 EKAB CC(C)(C)c1ccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)cc1 1383850 ZMQATVZOOAHWRF-UHFFFAOYSA-N 338.838 5.887 0 40 EKAB Oc1ccc(C2(c3ccc(O)c(Cl)c3)C[C@H]3CC[C@@H]2C3)cc1Cl 1574079 XFWTYSLRYZAOMG-NWDGAFQWSA-N 349.257 5.511 0 40 EKAB Cc1cccc(NC(=O)NC2CCC(CC3CCCCC3)CC2)c1 1697873 KEPFKNDJHUYRKY-UHFFFAOYSA-N 328.500 5.646 0 40 EKAB C1C[C@@H]2C[C@H]1[C@@H]1SC(=C3S[C@@H]4[C@H]5CC[C@H](C5)[C@H]4S3)S[C@@H]12 4828091 AXKZAQWXUQRLEU-VNICOLFOSA-N 340.604 5.407 0 40 EKAB CC1(C)CCCN(C(=O)N2c3ccccc3Sc3ccccc32)C1 4844089 BAQVTQPYHRIZGN-UHFFFAOYSA-N 338.476 5.531 0 40 EKAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)c2ccccc2Cl)c1 5360527 YLRYRHJUOBSUSB-ZDUSSCGKSA-N 343.883 5.391 0 40 EKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccco1 5376293 HNNCIRYDHPLEAA-DFQSSKMNSA-N 339.479 5.383 0 40 EKAB C[C@@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 6606758 ALIYUMAAKLRGEZ-SFHVURJKSA-N 329.443 5.410 0 40 EKAB CC(C)(C)NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 6882485 UCMXKOHFIBNAGU-UHFFFAOYSA-N 337.438 5.446 0 40 EKAB O=C(CSCc1ccccc1)Nc1ccccc1-c1ccccc1 7603215 CLJKFCVAOJYVGV-UHFFFAOYSA-N 333.456 5.226 0 40 EKAB CCCOc1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 12411347 ASLQTHWHFGSTOF-UHFFFAOYSA-N 333.431 5.314 0 40 EKAB c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 15016183 AAZMLKGEERBKRT-CRAIPNDOSA-N 338.457 5.052 0 40 EKAB CC[C@@H](CNc1cc(C)ccc1C)Oc1ccccc1[C@H](C)CC 19737796 UTGBKWJKNSYDLK-MJGOQNOKSA-N 325.496 6.086 0 40 EKAB C[C@H](Cn1c([C@@H](C)c2ccccc2)nc2ccccc21)c1ccccc1 26533495 HYSVNKWCHLLMGA-MOPGFXCFSA-N 340.470 5.992 0 40 EKAB C/C(Cl)=C/Cc1c(C)nc2ccc(Br)cc2c1Cl 33306214 KSPYEZGBKWOSIC-BAQGIRSFSA-N 345.067 5.644 0 40 EKAB Cc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 224926324 NEGCBGOQLVCHKE-UHFFFAOYSA-N 345.442 5.064 0 40 EKAB Cc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1C 225808059 DJFZOMCYFZIQOY-UHFFFAOYSA-N 348.515 5.376 0 40 EKAB Cc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 226294896 GNDUWHKWVNTMEB-UHFFFAOYSA-N 331.440 5.851 0 40 EKAB Cc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Cl)cc1 386793 GLGFQOBGRNQHIJ-UHFFFAOYSA-N 328.824 5.080 0 40 EKAB Cc1cccc(-c2nc3nc4ccccc4nc3n2CCC(C)C)c1 541448 CIOPVTGIENPFRU-UHFFFAOYSA-N 330.435 5.001 0 40 EKAB O=C(CC1CCCCC1)Nc1nc(-c2c[nH]c3ccccc23)cs1 3491763 FKMUAFGNZSQISR-UHFFFAOYSA-N 339.464 5.200 0 40 EKAB Cc1ccc(C(=O)Nc2cccc(/C=C/c3ccncc3)c2)cc1Cl 4710169 BQAHCSLLOHUMMZ-VOTSOKGWSA-N 348.833 5.466 0 40 EKAB Cc1[nH]c2ccccc2c1C(=O)CSc1ccc2ccccc2c1 4886469 KRAQAULFBRNVAG-UHFFFAOYSA-N 331.440 5.605 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 5383823 BOXSAFMBEHATMO-FMIVXFBMSA-N 347.380 5.655 0 40 EKAB Cc1ccc(C)c(NC(=O)N2c3ccccc3Sc3ccccc32)c1 5962238 LUEZRJWWIJMRGL-UHFFFAOYSA-N 346.455 6.138 0 40 EKAB c1ccc(-c2nc(SCc3ccccn3)oc2-c2ccccc2)cc1 6276969 YFFYLDNXUWQAFB-UHFFFAOYSA-N 344.439 5.696 0 40 EKAB Clc1ccc(Oc2nc(-c3ccccc3)c3ccccc3n2)cc1 6850785 GJHSEPFBDZGCIN-UHFFFAOYSA-N 332.790 5.743 0 40 EKAB O=C(O)c1ccccc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 6885563 RQEQGCLYOWDZCC-HXUWFJFHSA-N 348.423 5.101 0 40 EKAB C[C@@]12CC3CC(NCc4cccc(Cl)c4Cl)(C1)C[C@](C)(C3)C2 8534546 FIVUKKUNSMGTEM-DFDFAMMDSA-N 338.322 5.832 0 40 EKAB C[C@H]1CCCc2c1nc1sc3c(c1c2-c1ccccc1)CCCC3 12970759 UYDFGJNHENCDKO-AWEZNQCLSA-N 333.500 6.282 0 40 EKAB Cc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1C 16312524 JBMRZIAEERROQB-JOCHJYFZSA-N 329.443 5.730 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccsc1)C1CC1 44446780 YJMFVGZYSRBLRM-UHFFFAOYSA-N 341.263 5.251 0 40 EKAB CCN(CC)c1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 79006564 LVKRVXGIFQEEBS-UHFFFAOYSA-N 341.838 5.268 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 96171288 ITQUEKSJUGLSEV-UHFFFAOYSA-N 342.748 5.620 0 40 EKAB Cc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1C 107028268 HDZQAHHWAALVKX-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB Cc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2ccc(Cl)cc12 585266987 FHFDULTZANOKNM-UHFFFAOYSA-N 334.202 5.003 0 40 EKAB CC(C)CC(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 169578 ATDCHTNARHEZRI-UHFFFAOYSA-N 349.546 5.834 0 40 EKAB CCCCN(CCCC)[C@@H](C)[C@@H](O)c1ccc2c3c(cccc13)CC2 1683274 KXMDAFJWLTZHEE-GAJHUEQPSA-N 339.523 5.263 0 40 EKAB Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1ccc(F)cc1 2159259 NHBZRVXNNHHZEE-UHFFFAOYSA-N 339.413 6.530 0 40 EKAB CCC[C@@H](C(=O)Nc1cc(C)c(Cl)cc1OC)c1ccccc1 3437620 URIFREKRHJDOJU-OAHLLOKOSA-N 331.843 5.179 0 40 EKAB Cc1sc2ncnc(Nc3ccc(C4CCCCC4)cc3)c2c1C 5853345 NXIGESRUAGCBPY-UHFFFAOYSA-N 337.492 6.099 0 40 EKAB c1ccc(-c2coc3ccc(C45CC6CC(CC(C6)C4)C5)cc23)cc1 6496236 QIORHSZVVGKNHC-UHFFFAOYSA-N 328.455 6.568 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 8382827 JRSSTMYBDHJCTB-KBPBESRZSA-N 331.843 5.260 0 40 EKAB C[C@@H]1CC2(CCCC2)N(C(=O)Nc2ccccc2)Cc2ccccc21 13689970 DOCHDYAQJOWSKH-QGZVFWFLSA-N 334.463 5.541 0 40 EKAB COc1cc(CNC2CCCCC2)ccc1OCc1ccccc1C 16362749 XGQQABDDQOJZKD-UHFFFAOYSA-N 339.479 5.005 0 40 EKAB Cc1nc(-c2cccc(NC(=O)CCCc3cccs3)c2)cs1 18824326 PSVXSGOWRUGMIW-UHFFFAOYSA-N 342.489 5.141 0 40 EKAB Cc1ccsc1C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24876761 PEQIHIANBJPPKX-IBGZPJMESA-N 347.439 5.322 0 40 EKAB O=C(c1cccc(Cl)c1)N(Cc1ccco1)c1ccc(Cl)cc1 27795267 RSGVKCAUOQOXSJ-UHFFFAOYSA-N 346.213 5.433 0 40 EKAB COc1ccc(-c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 32592998 HXJXSUKOOLLCJI-UHFFFAOYSA-N 337.806 5.268 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 38752186 YZSQNCPCIHWCHS-NHCUHLMSSA-N 339.479 5.056 0 40 EKAB COc1ccc(-c2cc(-c3ccc(C)cc3)c3ccccc3n2)cc1 72314637 HZLINIJVMOXFNE-UHFFFAOYSA-N 325.411 5.886 0 40 EKAB COc1ccc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 73739959 MWPKAUXNRIRVEI-UHFFFAOYSA-N 334.806 5.355 0 40 EKAB O=C(c1ccccc1)[C@H]1N=NC[C@@H]1c1ccc(-c2ccccc2)cc1 100478014 DAQAQXWQXZLCOB-RTWAWAEBSA-N 326.399 5.155 0 40 EKAB CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OC 106956484 OIELSKUOLMYOQN-UHFFFAOYSA-N 344.213 5.152 0 40 EKAB COc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl 106975705 MRLSZKBUHZHPFP-UHFFFAOYSA-N 334.605 5.407 0 40 EKAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCC)c2ccccc12 225818038 KTOGDZSXSUWKGE-NRFANRHFSA-N 343.467 5.162 0 40 EKAB Cc1ccc2nc(-c3ccccc3F)c(Nc3c(C)cccc3C)n2c1 426791 PBCAWVNPSZTFHT-UHFFFAOYSA-N 345.421 5.809 0 40 EKAB COc1ccccc1NC(=O)Oc1ccc(C2CCCCC2)cc1 1732614 VGEIYJFSHXNKMR-UHFFFAOYSA-N 325.408 5.354 0 40 EKAB Cc1ccc(Oc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 2314274 VXAADJFIAXKQJH-UHFFFAOYSA-N 346.817 6.051 0 40 EKAB CCCC[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccccc1 2361019 ADZVWLLNCYUOKA-XZOQPEGZSA-N 349.518 6.008 0 40 EKAB Cc1ccc2nc(-c3ccc(NC4=NCCCS4)cc3)sc2c1 3259404 ULZHRGNKVWIOAJ-UHFFFAOYSA-N 339.489 5.177 0 40 EKAB CC1(C)c2ccccc2-[n+]2c(-c3ccccc3)cc(-c3ccco3)cc21 3848440 GDBWSFDKYCRZJD-UHFFFAOYSA-N 338.430 5.530 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)C 8049486 VLLSUJXJEFHPGV-GOSISDBHSA-N 331.843 5.260 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1c(C)cccc1C(C)C 8494007 RVJGQHWRSWJUDU-IBGZPJMESA-N 325.452 5.223 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc2c(Cl)cccc12 9141444 NSBWEEBSYVSITI-CQSZACIVSA-N 337.850 6.259 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2cc3ccccc3o2)c2cccs2)cc1 9910500 YQOVNUNGNIDCOQ-HXUWFJFHSA-N 347.439 5.322 0 40 EKAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13709396 JHVCDRIVEDBSBH-INIZCTEOSA-N 349.430 5.033 0 40 EKAB C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 13774737 DQHDGKVVJKGQNB-CYBMUJFWSA-N 346.927 5.685 0 40 EKAB Cc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c(C)c1 20624822 AIYYRLHCSZZUOK-LJQANCHMSA-N 326.509 5.377 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(Cl)cc1 21130211 WQNCYAURNPMLHS-KBPBESRZSA-N 330.859 5.293 0 40 EKAB FC(F)(F)c1ccc(CNc2ccc(Br)cc2)cc1 21520747 IDLCOISEYAOIIL-UHFFFAOYSA-N 330.147 5.080 0 40 EKAB in-vitro Cc1ccccc1Nc1ncccc1C(=O)Nc1cccc(Cl)c1 22072790 JYKWGZSHDBTHNE-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB Cc1ccccc1[C@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 48286130 BHBYKTPTXOUNAJ-HXUWFJFHSA-N 336.410 5.126 0 40 EKAB Oc1ccc(CNc2ccc(Cl)cc2Cl)cc1Br 70138219 ISHSFVRCIVQKLI-UHFFFAOYSA-N 347.039 5.074 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 96171075 CCLLIOROJDKGHW-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C)cccc1C(C)C 216270999 LHHOLUIOBUZRLP-GOSISDBHSA-N 329.415 5.054 0 40 EKAB Clc1ccc(-c2cc3cc(Br)ccc3o2)c(Cl)c1 216944388 DVKHZMVDWZXDNR-UHFFFAOYSA-N 342.019 6.169 0 40 EKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Nc1cccc(Cl)c1 222631886 JNWLZQRQAFVFCB-MRXNPFEDSA-N 344.842 5.072 0 40 EKAB Cc1ccc(S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1 225092076 STSVXNYVFXWKIN-HNNXBMFYSA-N 341.259 5.090 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 408565487 KZHHDYKSDGGHIB-MRXNPFEDSA-N 349.455 5.598 0 40 EKAB CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C)c(Cl)c1 145490 WMUHYQNCACWZTM-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3)c2c1 187547 QVTBHYKFIIICLD-UHFFFAOYSA-N 338.410 5.463 0 40 EKAB Cc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 251565 KOGPZJSIHCENMR-UHFFFAOYSA-N 336.243 5.769 0 40 EKAB CC(C)CSc1nc(SCC(C)C)c2c3c([nH]c2n1)CCCC3 502474 DDXBBRZSUJUBNX-UHFFFAOYSA-N 349.569 5.333 0 40 EKAB CC(C)(C)CC(C)(C)c1ccc(OCc2cccc(Cl)c2)cc1 1572582 CEFVKAVIQCHZQL-UHFFFAOYSA-N 330.899 6.633 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1cccc(C(F)(F)F)c1 2517764 YWQOEOYSZYZMTE-UHFFFAOYSA-N 330.708 5.313 0 40 EKAB Fc1ccccc1CNc1nnc(-c2ccccc2)c2ccccc12 2663937 SVWBRNLNPITVSK-UHFFFAOYSA-N 329.378 5.048 0 40 EKAB O=C(Nc1nccs1)c1ccccc1-c1ccc(C(F)(F)F)cc1 5869219 UCSKUBXZFBXFGE-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(C)c2)cc1 9721382 INKGOCVMCVDUCG-FQEVSTJZSA-N 338.451 5.153 0 40 EKAB O=C(Nc1cccc2ccccc12)c1ccc(CN2CCCCC2)cc1 10364589 XTVPATJYJCHDCR-UHFFFAOYSA-N 344.458 5.078 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 14006929 QJRCWUHKOBGVJS-VIFPVBQESA-N 344.625 5.053 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(F)c1 14201577 PTSKWXTYGHWNIL-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB Clc1ccc(-c2ccc(CNCc3ccccc3)o2)cc1Cl 20158538 DTYHYCCYHKNQFV-UHFFFAOYSA-N 332.230 5.543 0 40 EKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccccc1Cl 32753959 UYKOVVWGJXPURN-AWEZNQCLSA-N 341.838 5.238 0 40 EKAB Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)s1 35670990 OPLGSGFCWFDKRQ-UHFFFAOYSA-N 345.851 5.146 0 40 EKAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101219502 AIJUCQNLSCBZSR-IRLDBZIGSA-N 339.442 5.491 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225831618 POCCLHNFRJIKKZ-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB C1=CC[C@@H](CN2CCC(c3ccc(Cc4ccccc4)cn3)CC2)CC1 2037629993 WJOOLJDXLPHWNO-OAQYLSRUSA-N 346.518 5.208 0 40 EKAB CSc1cccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 365175 FBQIRSKOVNCXCB-OAHLLOKOSA-N 327.493 5.349 0 40 EKAB Cc1ccccc1CSC1=Nc2cc(Cl)ccc2SCC1 1405548 YTTJFIJBWLFDIN-UHFFFAOYSA-N 333.909 6.108 0 40 EKAB C[C@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccccc1 2183354 PQMKOUANRYJWLA-INIZCTEOSA-N 337.507 5.773 0 40 EKAB Clc1ccc(Cn2nc(-c3ccccc3)cc2-c2ccccc2)cc1 3084621 ATYAELSYUUTZCT-UHFFFAOYSA-N 344.845 5.919 0 40 EKAB CSc1ccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1 5222892 SZNWHTKLNFNCEI-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(-c2ccccc2)cc1 6085578 DPTNSAZCTYXWAM-FQEVSTJZSA-N 345.467 5.321 0 40 EKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CCC1 7778915 VCNPVOAEBGOLKR-UHFFFAOYSA-N 334.444 5.216 0 40 EKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 8049635 UXRRGQNQTWBPJQ-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CCCCN1C(=O)C(C)=C(C)[C@H]1N(c1ccccc1)c1ccccc1 9435205 ZJJWBOKLQWURJL-OAQYLSRUSA-N 334.463 5.130 0 40 EKAB COc1ccc(-c2c/c(=N\Nc3ccccc3)c3ccccc3o2)cc1 12654712 ASOJXKFVUXPWIN-HIXSDJFHSA-N 342.398 5.036 0 40 EKAB biogenic CCC(=O)Nc1ccc(C(=O)c2cc3c(ccc4ccccc43)o2)cc1 23043441 MTURKMAOEJIQSG-UHFFFAOYSA-N 343.382 5.166 0 40 EKAB CCc1ccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)cc1 27792852 CCRVVQSNPUWAJU-UHFFFAOYSA-N 335.472 5.466 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 30857187 BOWOOCXAEVBSMF-GOSISDBHSA-N 345.870 5.261 0 40 EKAB Cc1ccc(-c2nnc([C@@H](C)Sc3ccc(F)cc3F)o2)cc1 39978754 PAUSWZMOCLXPTR-LLVKDONJSA-N 332.375 5.177 0 40 EKAB CC(C)(C)c1cnc(CNC(C)(C)c2cccc(C(F)(F)F)c2)o1 57846982 ZCYAGOQHFZEVLR-UHFFFAOYSA-N 340.389 5.016 0 40 EKAB c1ccc2cc(CNCc3csc(-c4ccsc4)n3)ccc2c1 69063985 GBTRYVDYBYTBHT-UHFFFAOYSA-N 336.485 5.315 0 40 EKAB Clc1ccc(OCc2ccccc2Br)cc1Cl 70136057 AKEFVLWOHWEOJB-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1O 76275264 CTLHLAFMHOLYGX-UHFFFAOYSA-N 326.223 5.018 0 40 EKAB COc1ccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1 78401181 BKGNDWQMHYTRIV-UHFFFAOYSA-N 331.202 5.126 0 40 EKAB COc1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 216915759 GUCFIUHLFMRFBI-UHFFFAOYSA-N 327.598 5.199 0 40 EKAB O=C(NCCc1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)o1 224019101 BZEQHGCQCVGVAH-UHFFFAOYSA-N 349.817 5.212 0 40 EKAB CCc1ccc([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 224300222 PZABCOWNBANFRE-KRWDZBQOSA-N 337.507 5.357 0 40 EKAB Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1 224999970 DMBXUSOMRMPPPH-UHFFFAOYSA-N 335.834 5.168 0 40 EKAB O=C(Cc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 283801 ZCEGNQNDFOSKMI-UHFFFAOYSA-N 335.403 5.198 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=O)c2ccccc2)C1(C)C 1414680 ZMTZIUYTBVUPBL-RXVVDRJESA-N 346.474 5.036 0 40 EKAB COc1ccc(-c2onc(-c3ccccc3)c2-c2ccccc2)cc1 1720001 JBJFRBAUULVOQD-UHFFFAOYSA-N 327.383 5.684 0 40 EKAB OC1=N[C@H](c2cccc(Cl)c2)Nc2scc(-c3ccccc3)c21 6535664 SGSHYWQOUPUMQH-INIZCTEOSA-N 340.835 5.497 0 40 EKAB Cc1ccc(NC(=S)Nc2cc(Cl)ccc2C)cc1Cl 7527069 OANNOVDAOSTVBX-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB Cc1ccc(NC(=O)c2occc2COc2ccccc2)c(Cl)c1 8735258 IASIFRVRYYKCNX-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB C[C@@H](C(=O)Nc1ccncc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419686 LKJYTIWHJDFCDH-GFCCVEGCSA-N 349.821 5.112 0 40 EKAB C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)cc1)c1cc2ccccc2o1 10277423 PNYULROTIFYPDA-OLZOCXBDSA-N 342.826 5.208 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3cccc(Cl)c3)o2)cc1 11690413 RQSJNUDEYOFVFO-UHFFFAOYSA-N 339.822 5.480 0 40 EKAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 12274723 PDDXRLHDSSGQSC-UHFFFAOYSA-N 341.794 5.169 0 40 EKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 14257935 QNOFBLFPNLTZIR-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 14258385 GZYCCDRGISTPPB-UHFFFAOYSA-N 343.732 5.010 0 40 EKAB Fc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 16493573 XDQVIMBEZMUGQY-IBGZPJMESA-N 345.377 5.077 0 40 EKAB Clc1ccc(/C=C2/c3ccccc3-c3nc4ccccc4cc32)cc1 17354126 SEFWEPCFYADDCN-MOSHPQCFSA-N 339.825 6.458 0 40 EKAB CCCCCCOc1ccc(CNCc2ccccc2Cl)cc1 19737610 NRQQZJCSPQFMEM-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C 20460318 YTCLQPIOKLCCAM-FZKQIMNGSA-N 345.895 5.189 0 40 EKAB CC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 28226856 UFCGBQOIFMFUBH-UHFFFAOYSA-N 342.851 5.397 0 40 EKAB Cc1cc(NC(=O)Nc2ccc(C(C)C)cc2)n(C2CCCC2)n1 32609978 ZIVWDSFONYBASE-UHFFFAOYSA-N 326.444 5.074 0 40 EKAB O=C(N[C@@H]1CCCc2ccccc21)c1cc2c(ccc3ccccc32)o1 44900251 CWZCKRWVVLMIQR-HXUWFJFHSA-N 341.410 5.393 0 40 EKAB CCCCc1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 71326173 VOYQEPQLFKLSNF-UHFFFAOYSA-N 336.863 5.631 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C(C)C)cc2)c1 199716644 VZVDFURFIKHNSF-UHFFFAOYSA-N 326.440 5.587 0 40 EKAB CCc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 225506809 KCSIORMNZPBFEK-DEOSSOPVSA-N 343.470 5.006 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225701167 NGWFAYACILGOSX-LAUBAEHRSA-N 349.515 5.405 0 40 EKAB CC[C@@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 225709291 FTDRFFNYWVIXAO-LJQANCHMSA-N 326.509 5.358 0 40 EKAB Cc1ccc2[nH]c(SCc3ccc(Cl)cc3Cl)nc2c1C 182758 VSGIRZCYLODLAC-UHFFFAOYSA-N 337.275 5.779 0 40 EKAB Cc1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 363186 NTOVLBOISABMRM-UHFFFAOYSA-N 331.481 5.043 0 40 EKAB Cc1ccc2nc(-c3ccccc3)c(Nc3ccc(Cl)cc3)n2c1 426797 LGUWXKSLAIMZNT-UHFFFAOYSA-N 333.822 5.707 0 40 EKAB Cc1ccc(OCCn2c(Cc3ccccc3)nc3ccccc32)cc1 572440 JGGZHMGSQXPNGF-UHFFFAOYSA-N 342.442 5.015 0 40 EKAB CCCCC(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 2290951 MTXOUNDYYFATFW-UHFFFAOYSA-N 336.460 5.606 0 40 EKAB Clc1ccc(Sc2ncc(-c3ccc(Cl)cc3)cn2)cc1 4050450 XUIZFBVUAWIOLK-UHFFFAOYSA-N 333.243 5.602 0 40 EKAB COc1ccc(CNCC[C@@]2(CCC(C)C)CCOC(C)(C)C2)cc1 4073615 XPNODHDIPWQKBB-QFIPXVFZSA-N 347.543 5.187 0 40 EKAB biogenic CCCCCCn1c(-c2cccc(C)c2)nc2nc3ccccc3nc21 5030276 LSOLIMMEHSFWCY-UHFFFAOYSA-N 344.462 5.535 0 40 EKAB CCN(C(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 6079204 VWVVWEXYAGFOIO-UHFFFAOYSA-N 339.523 5.415 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 6261373 VZNXIOZQDJZKGV-GIDUJCDVSA-N 347.389 5.578 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NC1CC1 6756117 GLGAUBPACOBAMV-BJCBFJDFSA-N 343.555 6.411 0 40 EKAB Brc1cccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@H]23)c1 7098228 XIGMOIMLYXDCIS-NJAFHUGGSA-N 344.252 5.084 0 40 EKAB CCOc1cc(CNC2CCCCC2)ccc1OCc1cccs1 8254734 DOCNPBSQCKZZNO-UHFFFAOYSA-N 345.508 5.148 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 8498970 JYTWGQWTSCCITE-KRWDZBQOSA-N 325.452 5.052 0 40 EKAB Cc1ccc(C)c(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1 13841073 OEEKTCWEJCIDRZ-UHFFFAOYSA-N 340.536 6.359 0 40 EKAB CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1 17198486 LYKUJTVMRFXAAS-SFHVURJKSA-N 331.868 5.242 0 40 EKAB c1coc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c1 19342328 HDCDQZCUGUXTPS-MRXNPFEDSA-N 328.437 5.113 0 40 EKAB Cc1ccccc1[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 20458548 QNOKSUKUZTVHSS-FQEVSTJZSA-N 335.834 5.168 0 40 EKAB Clc1ccc(-c2ccc(CNCCc3ccccc3)o2)c(Cl)c1 22076813 RWHAKPZZNLXNMB-UHFFFAOYSA-N 346.257 5.586 0 40 EKAB Cc1cc2c(cc1C)[C@@H](Nc1ccc(Cl)c(Cl)c1)NC(C)(C)C2 35686396 KLMJXRHDNMPJGS-SFHVURJKSA-N 349.305 5.645 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1Cl 44901044 RANFUDRWBQSSOH-SFHVURJKSA-N 339.822 5.289 0 40 EKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(F)cc3)c2c1 46085600 MIRFEGLONUYUDO-UHFFFAOYSA-N 341.382 5.312 0 40 EKAB Cc1ccccc1CSC1=NC2(CCCCC2)Nc2ccccc21 67341482 KHWUILYMYCNNAS-UHFFFAOYSA-N 336.504 5.761 0 40 EKAB C[C@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)[C@H](C)c1cccs1 95960715 HESYJLYCZDPFBB-GHMZBOCLSA-N 348.411 5.004 0 40 EKAB CCC[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 118918384 QJNGVAWIYOINJU-NAWQHOSSSA-N 346.555 5.375 0 40 EKAB CCCCn1c(C)c(CNC(C)C)c2cc(O[C@H](C)CC)ccc21 223771270 JYPUFBARQVVBDN-MRXNPFEDSA-N 330.516 5.425 0 40 EKAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 225305430 AXJMCEDDSDUJKX-OAHLLOKOSA-N 343.898 5.448 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225717315 SODBTLJCQXYKPX-IIBYNOLFSA-N 347.499 5.098 0 40 EKAB c1ccc(SCc2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1 1383083 ANCGSCVQKVCFCX-UHFFFAOYSA-N 347.487 5.036 0 40 EKAB CC[C@]1(C)C[C@](CCNCc2ccccc2F)(CCC(C)C)CCO1 5478743 NXENPVBYWWLXGA-YADHBBJMSA-N 349.534 5.707 0 40 EKAB O=C1c2ccccc2CCCCCCCCCCC12OCCCO2 5847464 SZNNLWNSCAGPKJ-UHFFFAOYSA-N 330.468 5.070 0 40 EKAB Cc1ccc(C)c(Cn2c(COc3ccccc3)nc3ccccc32)c1 6608848 RRFREFAAMLNMBS-UHFFFAOYSA-N 342.442 5.280 0 40 EKAB CC(C)(C)CC(C)(C)NCc1ccc(OCc2ccccc2)cc1 6857391 YWCPTMRVMRWECY-UHFFFAOYSA-N 325.496 5.570 0 40 EKAB COc1ccc2c(C)cc(Nc3cc(C)c(Cl)cc3OC)nc2c1 12564573 XJSSRPRKLFKAKX-UHFFFAOYSA-N 342.826 5.266 0 40 EKAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)c1 20459947 UAKOQRBSNHWUTQ-HXUWFJFHSA-N 349.430 5.035 0 40 EKAB Cc1ccc(C2=N[C@@H](C3CCCCC3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504128 SGSXNGZQSDWDQD-JNHLRNPSSA-N 330.475 5.130 0 40 EKAB C[C@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1cccc(F)c1 40067849 FIABNPBLADAHAV-KBPBESRZSA-N 340.398 5.036 0 40 EKAB Cc1ccc2[nH]c(-c3ccc(-c4nc5cc(C)ccc5[nH]4)cc3)nc2c1 44138633 GECUVJMEEJHNLF-UHFFFAOYSA-N 338.414 5.390 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C 44946930 NSOVYQZAUMPZQR-MRXNPFEDSA-N 333.884 5.466 0 40 EKAB COc1ccc(NCc2cccc(OCc3ccc(C)cc3)c2)cc1 106974447 XJYFNRQSYUEPEF-UHFFFAOYSA-N 333.431 5.195 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3cccc(Br)c3)nc2c1 228947855 VGXACELKHJIGLV-UHFFFAOYSA-N 344.252 5.479 0 40 EKAB O=C(NC1CCCCC1)c1sc2cc(Cl)ccc2c1Cl 297554 UOGMZRLLRDSXBX-UHFFFAOYSA-N 328.264 5.271 0 40 EKAB COc1cccc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)c1 385401 ARZVEDDBAKZOFX-HNNXBMFYSA-N 349.405 5.244 0 40 EKAB Cc1ccc(-c2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1 440660 ZOVZTNKABKZWKQ-UHFFFAOYSA-N 325.824 5.087 0 40 EKAB Cc1cc(C)c(C(=O)[C@@H]2Oc3ccccc3[C@@H]2c2ccccc2)c(C)c1 1728141 GRVACMBVIMCUDA-LADGPHEKSA-N 342.438 5.388 0 40 EKAB c1ccc2c(c1)N=C1CCCC[C@@]12c1ccc2c3c([nH]c2c1)CCCC3 3847292 HXEVLONMWJSBCZ-DEOSSOPVSA-N 340.470 5.993 0 40 EKAB Cc1c(C(C)C)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 5235596 YQJSIMCSOAYMDP-UHFFFAOYSA-N 332.399 5.946 0 40 EKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nccs3)o2)cc1Cl 6449851 LKKUKGDGEYFLFP-FNORWQNLSA-N 344.823 5.017 0 40 EKAB CC1=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@@H](c2cccs2)C1 8570239 VNDOHJNLOARPFX-OAHLLOKOSA-N 341.867 5.659 0 40 EKAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 15540416 LDXSTGIZDZMFIB-UHFFFAOYSA-N 337.806 5.095 0 40 EKAB C[C@@H](Cc1ccccc1)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 31792481 OVRKXSYIXORYFJ-INIZCTEOSA-N 339.866 5.663 0 40 EKAB Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc3ccccc23)s1 61531563 WLIWBAIOODADLU-GOSISDBHSA-N 335.472 5.057 0 40 EKAB Cc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3o2)cc1 72193647 ZNKRMZPSCIMMFY-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2O1 225120744 WWSCOKSBYJILMD-QGZVFWFLSA-N 343.854 5.152 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OCC 252516443 SNXPWYFWAZVIAU-UJCVEDPWSA-N 332.528 6.695 0 40 EKAB CC(C)CCc1cc(=O)oc2cc3c(cc12)[C@H](C)CC(C)(C)N3C 575473143 HZFAXMAUDPYDND-CQSZACIVSA-N 327.468 5.104 0 40 EKAB COc1ccc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1 385404 XCIUMBONESTDIN-OAHLLOKOSA-N 349.405 5.244 0 40 EKAB CCC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 560724 UCLQLPCZMBWNLK-UHFFFAOYSA-N 332.230 5.589 0 40 EKAB FC(F)(F)c1c(CCc2ccccc2)n2c3c(cccc13)CCC2 1394919 FYGQTNWKBNYVQB-UHFFFAOYSA-N 329.365 5.392 0 40 EKAB O=C(CSc1ccc(Br)cc1)c1cc2ccccc2o1 3242254 VHRMMHCPNJKDLN-UHFFFAOYSA-N 347.233 5.170 0 40 EKAB Cc1cc(OCc2ccccc2)c2c(-c3ccccc3)cc(=O)oc2c1 4026449 ADAVTDCWEWXNDG-UHFFFAOYSA-N 342.394 5.347 0 40 EKAB biogenic COc1ccc(/C=C/c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 4657182 KPMWWKKWRMGHJI-RUDMXATFSA-N 347.201 5.222 0 40 EKAB CCc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 4713035 JVVNICZDAMJDPT-HSZRJFAPSA-N 344.433 5.744 0 40 EKAB CC(C)[C@H](C(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1 6376308 NHQLEONRROZXDN-AWEZNQCLSA-N 341.760 5.136 0 40 EKAB COc1ccc(Cl)cc1NC(=O)c1cccc2c(Cl)cccc12 9141698 IQWROODZVJZSFC-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H]1c1cccs1 14085810 VGXKMPRCRILRTG-OAHLLOKOSA-N 341.407 5.125 0 40 EKAB CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 14255798 SBZBGUPAKXMMHC-HNNXBMFYSA-N 331.481 5.124 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(COc2ccccc2)o1 14492806 JKTJPXADKCQOAF-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1C 20456898 FQPRBYSTIHVRPC-SFHVURJKSA-N 331.843 5.061 0 40 EKAB Fc1ccccc1CCNCc1ccc(-c2cccc(Cl)c2)o1 22076583 UTYPJORLHUQUQU-UHFFFAOYSA-N 329.802 5.071 0 40 EKAB C[C@H]1CCCCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 32611341 LIDUQBVCMGNYNH-INIZCTEOSA-N 349.430 5.026 0 40 EKAB C[C@@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1cccc(F)c1 40067857 FIABNPBLADAHAV-ZIAGYGMSSA-N 340.398 5.036 0 40 EKAB CC(C)[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 48325074 FMGFIWOGTSTCJG-AWEZNQCLSA-N 342.386 5.286 0 40 EKAB Fc1cc(SCc2ccc(Br)cc2F)ccc1Cl 95733429 JHZHAECMUOJNQB-UHFFFAOYSA-N 349.627 5.673 0 40 EKAB Cc1ccc(C2C[C@H]3CC[C@H](C2)N3C(=O)c2cc(C3CC3)oc2C)cc1 100476144 SICMXWLNXBZRHW-WOJBJXKFSA-N 349.474 5.325 0 40 EKAB COc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)cc1Cl 225536112 XGJYQCOSKUMOGJ-CYBMUJFWSA-N 348.899 5.013 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)CCCC2 225628684 JJLHBJBIZYFJLW-UHFFFAOYSA-N 327.427 5.485 0 40 EKAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225638448 WHSFGWUEMVLJDB-FNXXIHLHSA-N 347.499 5.015 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 408602226 CSNWMCRBDUEMEL-LBPRGKRZSA-N 327.811 5.852 0 40 EKAB CCCOc1ccc(CNc2ccc(CC)cc2)cc1Br 409113728 FADCGMUEUFLXBT-UHFFFAOYSA-N 348.284 5.412 0 40 EKAB Cc1nnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc12 38279 REWVTHWGOFZZCE-UHFFFAOYSA-N 337.732 5.354 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CCSc1ccc(Cl)cc1 562684 QMMRXTQGDUJDIJ-UHFFFAOYSA-N 347.911 5.893 0 40 EKAB CN(C)CCCN1c2ccccc2Sc2ccc3ccccc3c21 1561939 VGMOECBHITYGPM-UHFFFAOYSA-N 334.488 5.394 0 40 EKAB in-vitro CC(C)COC(=O)[C@@H](C)Oc1ccc(Oc2ccc(Cl)cc2)cc1 1572569 XNBRPBFBBCFVEH-CQSZACIVSA-N 348.826 5.099 0 40 EKAB Clc1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1 3211039 LVLQJFJJXHUFQB-UHFFFAOYSA-N 346.908 5.516 0 40 EKAB CCC1(CC)O[C@H](c2ccc(Br)cc2)Nc2ccccc21 3669005 NRZIZNDPQGHLJT-QGZVFWFLSA-N 346.268 5.605 0 40 EKAB CCn1c2ccccc2c2cc(CN[C@H](C)c3ccccc3)ccc21 3926818 JQXJXHOCCOJQTP-QGZVFWFLSA-N 328.459 5.665 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 6233931 GNGFJJXCYQAPNJ-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB O=C(CCC1CCCC1)Nc1ccccc1Sc1ccccc1 6927625 UEZQUHJUNDYCPL-UHFFFAOYSA-N 325.477 5.747 0 40 EKAB CCOc1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 12621389 AJTIZTDVGGSRPW-QFIPXVFZSA-N 341.414 5.074 0 40 EKAB Cc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)cc1C 15604091 XJWACPKQQGCBGR-UHFFFAOYSA-N 331.415 5.058 0 40 EKAB O=C1CS[C@H](c2cccc3ccccc23)N1c1ccc(Cl)cc1 38330180 JPIQDNHHNWOCHJ-LJQANCHMSA-N 339.847 5.272 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 44278938 LJIIPTCBKMTQLC-UHFFFAOYSA-N 341.499 5.139 0 40 EKAB CCCCN(Cc1ccccc1)C(=S)Nc1cccc(Cl)c1C 215678173 ZSJSLQHQLNZFBE-UHFFFAOYSA-N 346.927 5.648 0 40 EKAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)c2ccccc12 225820921 GIBJJZFSCZPMAE-NRFANRHFSA-N 343.467 5.018 0 40 EKAB Cc1cccc(CCC2(NC(=S)Nc3ccccc3)CCCC2)c1 225840439 ZZCKXHSDJBGQTP-UHFFFAOYSA-N 338.520 5.227 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 40842 CRQPQZVPDDHKTP-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB OC(CSc1cccc(Cl)c1)CSc1cccc(Cl)c1 1385789 SVOZHESVHJNDJJ-UHFFFAOYSA-N 345.316 5.239 0 40 EKAB CCCCCN(CCCCC)CC[C@H](O)c1cccc2ccccc12 1700111 RYCGPGIFKVZHKQ-QHCPKHFHSA-N 341.539 5.946 0 40 EKAB COc1ccc(-c2c/c(=N\c3cccc(C)c3)c3ccccc3o2)cc1 2126446 VOESZTWPOUBRTQ-DARPEHSRSA-N 341.410 5.649 0 40 EKAB biogenic CCCCCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1 2299243 CHQQDLFFWYTHIB-UHFFFAOYSA-N 335.403 5.169 0 40 EKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCCC1 2512596 LHZBJDLQZNDILU-UHFFFAOYSA-N 349.352 5.036 0 40 EKAB COCc1c(C(=O)Nc2ccccc2C(C)(C)C)oc2ccccc12 2654398 BERKJCGGSGKLEK-UHFFFAOYSA-N 337.419 5.129 0 40 EKAB CCCCC[C@H](C)CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 3199901 SKPZLLLQCPQIOT-GRNBYLDVSA-N 343.442 5.432 0 40 EKAB O=C(CC(=O)c1ccccc1)C[C@@H](Nc1ccccc1)c1ccccc1 4830553 AXZQDTZWPCEZSU-JOCHJYFZSA-N 343.426 5.072 0 40 EKAB CCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 5471137 UKTQNFFKCKJBHC-UHFFFAOYSA-N 329.443 5.287 0 40 EKAB CC(C)[C@H](C(=O)Nc1ccccc1C(C)(C)C)c1ccc(Cl)cc1 12616802 XYPNBIHZXSZROH-IBGZPJMESA-N 343.898 6.016 0 40 EKAB Cc1ccc(C(C)C)c(OCCNc2ccccc2OC(C)C)c1 19737477 LRYRLHPKEFGDMZ-UHFFFAOYSA-N 327.468 5.397 0 40 EKAB CCCOc1ccc(NCCOc2cc(C)ccc2C(C)C)cc1 19738176 CVHIDZMXFBPINN-UHFFFAOYSA-N 327.468 5.398 0 40 EKAB CCc1ccc2oc(C(=O)Nc3cccc4cccnc34)c(C)c2c1 21659217 UJDITZATZXROCG-UHFFFAOYSA-N 330.387 5.104 0 40 EKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1cc(Cl)ccc1Cl 35671447 YTDACWSZYSPYCF-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB COC(=O)c1c(CCc2ccc3ccccc3c2)cccc1OC(C)C 35973639 QUGBCHJXKDQHDI-UHFFFAOYSA-N 348.442 5.199 0 40 EKAB Cc1cccc(Cl)c1NC(=O)Nc1ccccc1C(F)(F)F 51354243 CGAUPPBBEIQFKL-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB OCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12 95095221 QRYSIQFGJJTXQA-UHFFFAOYSA-N 333.214 5.218 0 40 EKAB C[C@H]1C[C@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1 95117631 LCYCPCASWDKMMA-JTSKRJEESA-N 342.442 5.279 0 40 EKAB CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1/C=C/Cl 95486399 RPQDZRQAVJQJRC-VOTSOKGWSA-N 337.725 5.142 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(C)C 222955867 WEJFWGRZLLMSDS-LJQANCHMSA-N 325.452 5.223 0 40 EKAB CC(C)(C)c1ccc(C(=O)n2c(=S)oc3ccc(Cl)cc32)cc1 100282 RRUFAQUICPUNRO-UHFFFAOYSA-N 345.851 5.603 0 40 EKAB c1ccc(-c2nccc(-c3ccc(-n4cnc5ccccc54)cc3)n2)cc1 1390279 YVYVJGXSDFOSEC-UHFFFAOYSA-N 348.409 5.150 0 40 EKAB CCCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C)cc1 1787233 VDYOIVSMXVPCDN-UHFFFAOYSA-N 345.870 5.399 0 40 EKAB Cc1cc(C)cc(CCC(=O)c2ccc(Br)cc2F)c1 2517714 AYKDLSHGZHIDAN-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB Cc1cccc(NC(=O)C2C[C@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)c1 3141069 KODXCSWTOHUZBU-ROUUACIJSA-N 329.528 6.058 0 40 EKAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 3151834 QXYFVGJKBREVEX-UHFFFAOYSA-N 333.218 5.046 0 40 EKAB CCc1nc2ccc(C(=O)Nc3cccc4ccccc34)cc2s1 5674518 PFCOZXJVRVYESL-UHFFFAOYSA-N 332.428 5.264 0 40 EKAB COc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1Cl 13935138 FZYBJOVULIHXAX-UHFFFAOYSA-N 341.263 5.119 0 40 EKAB c1ccc(C[C@@H](NCc2nc3ccccc3s2)c2ccccc2)cc1 15487563 UEKNHGYMIZEDDO-HXUWFJFHSA-N 344.483 5.370 0 40 EKAB CC[C@@H](C)c1ccccc1O[C@H](C)CNc1ccccc1C(C)C 19738333 RNQMXCHCUOTDIA-QZTJIDSGSA-N 325.496 6.203 0 40 EKAB Cc1ccc(-c2c[nH]c(=S)n2-c2ccc(OC(F)F)cc2)cc1 26423041 SXIGDGPFEPNDIT-UHFFFAOYSA-N 332.375 5.112 0 40 EKAB Cc1cc(C)c(NC(=O)c2c3c(nc4ccccc24)CCCC3)c(C)c1 26779870 VNCJSUWTYKJMFF-UHFFFAOYSA-N 344.458 5.291 0 40 EKAB O=C(Cc1cccs1)Nc1cc(Cl)ccc1Oc1ccccc1 36726954 BIKTUDNSWZYBTK-UHFFFAOYSA-N 343.835 5.375 0 40 EKAB COc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)c(C)c1 71761633 CKEUPUAZJLGLGY-UHFFFAOYSA-N 341.263 5.119 0 40 EKAB Cc1ccc([C@@H]2C=C(c3ccccc3)N=C3Nc4ccccc4N32)cc1 103542417 KVGCQKGYHWDGMW-QFIPXVFZSA-N 337.426 5.379 0 40 EKAB CCc1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 113970471 RQPOQAQXPZTNAT-SFHVURJKSA-N 331.843 5.007 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225701813 RLCAVXRHCQXBDZ-GOSISDBHSA-N 341.879 5.053 0 40 EKAB CC1=C(/C=C\C(C)=C/C=C/c2ccc(C(=O)O)cc2)C(C)(C)CCC1 299888811 YRNAHKPMDMVFMV-GBCVBALOSA-N 336.475 6.427 0 40 EKAB CN1CCCc2cc(N3c4ccccc4Oc4ccccc43)ccc21 1857794379 UBRGSJCLDQVYEE-UHFFFAOYSA-N 328.415 5.645 0 40 EKAB CC(=O)c1cccc(NC(=O)C2[C@H]3CC/C=C/CC/C=C\CC[C@@H]23)c1 382572 BJQOSONJQCUKEY-PYFJUOOKSA-N 337.463 5.157 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 1462202 QOCKWUBCVFBCBG-PKNBQFBNSA-N 342.225 5.799 0 40 EKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCCc2ccccc21 1471477 ZNTPIPUFVWSMRA-UHFFFAOYSA-N 341.454 5.188 0 40 EKAB Oc1cc(C2CCCCC2)c(C2CCCCC2)cc1C1CCCCC1 1782976 YHAHOJBUMNLBMS-UHFFFAOYSA-N 340.551 7.535 0 40 EKAB Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 3136211 ADMPDKDPAUHBGP-UHFFFAOYSA-N 346.217 5.494 0 40 EKAB Clc1ccc2[nH]c(SCc3c(Cl)cccc3Cl)nc2c1 4406907 LTYIGAZLKPBUOF-UHFFFAOYSA-N 343.666 5.815 0 40 EKAB OC1=N[C@H](c2ccccc2Cl)Nc2scc(-c3ccccc3)c21 4571715 CYKULYUIDFGZSL-INIZCTEOSA-N 340.835 5.497 0 40 EKAB CCC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 5016919 SCJPLDMPGAPSON-GFBDMGBSSA-N 336.435 5.120 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccccc2SCc2ccccc2)c1 7684785 RHGLYABGPQDASM-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CCCc1cc(-c2nc(-c3ccc4c(c3)CCCC4)cs2)ccn1 8040481 QDCIQCKBFKCVKA-UHFFFAOYSA-N 334.488 5.703 0 40 EKAB CCCCc1ccc2nc(C)c(CN(C)Cc3ccccc3)c(O)c2c1 8572510 NRYHFQRWVWBXTI-UHFFFAOYSA-N 348.490 5.223 0 40 EKAB Cc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3)C2)cc1 9305524 UAJCLOXUWRUHEG-IBGZPJMESA-N 333.460 5.116 0 40 EKAB C(=C1\CCc2cc3c(nc21)/C(=C/c1ccccc1)CC3)\c1ccccc1 13774495 XYGJLQRINNJINZ-YJKAXRSRSA-N 335.450 6.055 0 40 EKAB COc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1Cl 13935127 HAXJRRPMMPNVBJ-UHFFFAOYSA-N 334.872 5.281 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)cc1C 20493671 YSCJMJDLLYVKEJ-NRFANRHFSA-N 333.431 5.253 0 40 EKAB CC(C)(C)c1csc(NC(=O)c2ccc(-c3ccccc3F)o2)n1 23078088 PDTKSEYMZXPBBS-UHFFFAOYSA-N 344.411 5.092 0 40 EKAB CCOc1ccc(NC(=O)c2cccc3ccccc23)c2cccnc12 28290796 LAIYMDSZSJYJGD-UHFFFAOYSA-N 342.398 5.039 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)c1 44900353 SGUUGHWHKFLRCG-QZTJIDSGSA-N 347.458 5.101 0 40 EKAB CCOc1cc(CNc2ccccc2C)ccc1OCc1ccccc1 59055218 KWMSYPNNFMIKBN-UHFFFAOYSA-N 347.458 5.585 0 40 EKAB C/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915069 SKSOMRHTXHIGIB-QUTCQYOHSA-N 342.523 5.827 0 40 EKAB COc1ccccc1[C@H](C)NC(=O)c1cc2c(ccc3ccccc32)o1 225464270 YRYRZYJAVZBBJI-AWEZNQCLSA-N 345.398 5.086 0 40 EKAB O=C(NCCCc1cccc2ccccc12)c1ccc2c(c1)CCCC2 225635058 BCZGRIWUTHQFLH-UHFFFAOYSA-N 343.470 5.081 0 40 EKAB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C(C)C 225663144 RPGVUYSFNGPJGN-KRWDZBQOSA-N 339.479 5.235 0 40 EKAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)N1c2ccccc2Sc2ccccc21 250519538 AIBNHSXHEALWEQ-KKUMJFAQSA-N 336.460 5.188 0 40 EKAB O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408621664 PCMARGKJAYSBJY-UHFFFAOYSA-N 333.721 5.131 0 40 EKAB CC(C)c1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 408835782 ZGTDTERULGXJNA-UHFFFAOYSA-N 329.827 5.065 0 40 EKAB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 55102 RNXXIKOZHJKKPF-LAUBAEHRSA-N 342.442 5.279 0 40 EKAB O=C(CSc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 576527 UWCHEAIKIRQTQM-UHFFFAOYSA-N 345.773 5.090 0 40 EKAB O=C(c1ccco1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 1236021 ZELKVBCDHILATF-HQRMLTQVSA-N 343.854 5.035 0 40 EKAB O=C(CSc1cccc2cccc(Cl)c12)Oc1ccc(F)cc1 3220490 AAXNRMDBLBOMGV-UHFFFAOYSA-N 346.810 5.330 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc2ncsc2c1 4088466 UBVUEJYFDWNZEV-UHFFFAOYSA-N 346.411 5.341 0 40 EKAB C(=C/c1nc2ccccc2n1CCC1CCCCC1)\c1ccccc1 4171592 RYVAMKIHOGQJNL-FOCLMDBBSA-N 330.475 6.177 0 40 EKAB CC(C)c1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 4571638 QGDICSVBYFNCLP-XIKOKIGWSA-N 340.492 5.425 0 40 EKAB O=C(O)c1ccccc1N[C@@H](c1ccccc1)c1ccc(Cl)cc1 4622562 QUTUJRKVWNTRPO-IBGZPJMESA-N 337.806 5.240 0 40 EKAB Cc1ccc(CNCc2cccc(OCc3ccccc3F)c2)cc1 7537915 WZVYBQCVYKMLGZ-UHFFFAOYSA-N 335.422 5.003 0 40 EKAB COCCNc1nc(-c2c(-c3ccccc3)[nH]c3ccccc23)cs1 7843487 DZXJXJVEQCIWSD-UHFFFAOYSA-N 349.459 5.017 0 40 EKAB CNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 8377307 LJGFOTJTNDNHNV-UHFFFAOYSA-N 346.257 5.445 0 40 EKAB Cc1csc(N2N=C(c3cccs3)C[C@H]2c2cccc(F)c2)n1 9547535 DMVYDCYAEUCLGJ-HNNXBMFYSA-N 343.452 5.008 0 40 EKAB Cc1[nH]c2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2c1C 9884605 BYJAVIATSIIFFY-UHFFFAOYSA-N 347.443 5.161 0 40 EKAB Cc1cc(F)ccc1NC(=S)Nc1cccc(Cl)c1Cl 13937306 MNRHMXOGJLDMSF-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Nc1ccc(Oc2ccccc2-c2ccccc2)c(C(F)(F)F)c1 14630210 YFTZWTCXVGASPD-UHFFFAOYSA-N 329.321 5.747 0 40 EKAB CC(C)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 15509164 DGVVRQXYHQVDRS-UHFFFAOYSA-N 335.403 5.234 0 40 EKAB CCCc1cc(NC2CCCCC2)n2ncc(-c3ccccc3)c2n1 27585139 BIWKVRKBDNJUEE-UHFFFAOYSA-N 334.467 5.093 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)C1CCCCC1 30751654 IWDZMRXNYVPXJR-INIZCTEOSA-N 325.905 5.002 0 40 EKAB CSc1cccc(NC(=S)Nc2cc(F)ccc2Cl)c1 71761366 DRTRVJPZLVHDHZ-UHFFFAOYSA-N 326.849 5.010 0 40 EKAB O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(O)cc1 78015390 NOPNBQOZUKISRP-UHFFFAOYSA-N 342.287 5.037 0 40 EKAB in-vitro S=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)NC1CC1 84374477 OSGMAPRYEQWWKY-UHFFFAOYSA-N 337.275 5.109 0 40 EKAB C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCCCCC3)c2)C1 84689681 LHGOZKRBAOPBDQ-YLJYHZDGSA-N 344.499 5.190 0 40 EKAB Cc1ccc(/N=c2/cc(-c3ccccc3)oc3ccccc23)c(C)c1 104256728 TYYSXYACHCXHIA-FLFQWRMESA-N 325.411 5.949 0 40 EKAB Cc1ccc([C@H]2CC(C)(O)C[C@H](c3ccc(C)cc3C)S2)c(C)c1 139309880 SUQRMLVEIYMUHI-NHCUHLMSSA-N 340.532 5.981 0 40 EKAB O=C(CCc1ccccc1Cl)Nc1ccc(OC2CCCC2)cc1 220016642 HGIUQZOQAGVJEK-UHFFFAOYSA-N 343.854 5.233 0 40 EKAB CCCCc1ccc(NC(=O)CSCc2cccc(C)c2)cc1 222738849 NZXZEHSVKUJWTK-UHFFFAOYSA-N 327.493 5.210 0 40 EKAB CCCCn1c(C)c(CNCCC)c2cc(O[C@H](C)CC)ccc21 223767968 BSKYQDWFTOOJIN-MRXNPFEDSA-N 330.516 5.427 0 40 EKAB CCc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 251983962 GSHYKUCPTGRELW-BVKOHWRASA-N 347.458 5.244 0 40 EKAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccs1 44492 LBBOQIQYPQBDHO-UHFFFAOYSA-N 343.521 5.133 0 40 EKAB Cc1ccc2c(c1)N(C(=O)C1CC1)C(C)(C)c1ssc(=S)c1-2 169672 MVIQFGRQTOXVLT-UHFFFAOYSA-N 347.530 5.506 0 40 EKAB Cc1ccc(-c2nnc(-c3sc4cc(F)ccc4c3Cl)o2)o1 412036 FLFZFOKKJVDUAW-UHFFFAOYSA-N 334.759 5.312 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(F)cc1)c1cccnc1 564630 XAHFKMWJGJFWHB-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB Cc1ccc(C(C)C)c(OC(=O)Nc2cc(Cl)ccc2Cl)c1 1667340 SQMNVMSTJJDEKG-UHFFFAOYSA-N 338.234 6.036 0 40 EKAB Cc1ccc(N(CCCc2ccccc2)CCCc2ccccc2)cc1 1673052 OUFYSWWYSMWESE-UHFFFAOYSA-N 343.514 6.067 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)Nc1cccc(Cl)c1 5191933 MQPZONKPVMRZFT-UHFFFAOYSA-N 326.248 5.114 0 40 EKAB Cc1ccc(Oc2ccc(NC(=S)NC3CCCCC3)cc2)cc1 6332167 WPWDLCPKLMIELM-UHFFFAOYSA-N 340.492 5.406 0 40 EKAB CCCCN(C(=O)c1oc2ccccc2c1COC)c1ccccc1 7736950 JTCREGLTMFCQOC-UHFFFAOYSA-N 337.419 5.026 0 40 EKAB CSc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 8023958 HCTBJCRNFAYXHM-UHFFFAOYSA-N 337.897 5.183 0 40 EKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2ccccc21 15275866 ZICGITHVXPDMEN-ACJLOTCBSA-N 345.895 5.014 0 40 EKAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1-c1ccccc1 15643653 WXAFKHUPLCPPRH-UHFFFAOYSA-N 340.426 5.406 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 20458755 ZGNSPEVKVCVVAQ-HNNXBMFYSA-N 341.810 5.128 0 40 EKAB CCCCCCOc1ccc(-c2ccc(Br)cc2)cc1 35585920 BBSATKLPGGIPJT-UHFFFAOYSA-N 333.269 6.075 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)c1 35616356 YNUOZSICNQFUPW-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB CCOc1ccc2nc(C)cc(Nc3ccc(C(C)(C)C)cc3)c2c1 41127704 FFCPTUZQPQBMMJ-UHFFFAOYSA-N 334.463 5.983 0 40 EKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2[nH]c3ccccc3c2c1 44781921 VCAWANFEABYDSJ-OAQYLSRUSA-N 344.414 5.117 0 40 EKAB Fc1ccc(SCc2ccc(Br)cc2)cc1Cl 95733272 JTGLPODASQLSGG-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB CC(=O)c1cccc(NC(=O)C2[C@H]3CC/C=C\CC/C=C/CC[C@@H]23)c1 103130764 BJQOSONJQCUKEY-MZCASLLQSA-N 337.463 5.157 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C)c1 225652529 QMJLMTSDAZJPSJ-OAQYLSRUSA-N 349.515 5.488 0 40 EKAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1Cl 225741269 ZIDLXKSQMDGVKO-SFHVURJKSA-N 341.879 5.053 0 40 EKAB CC(=O)Nc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 152060 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6851174 BATNYYNCPFONAD-UHFFFAOYSA-N 347.842 5.356 0 40 EKAB Oc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1 17137890 GVUZEBODKHFEOR-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB COC(=O)c1cc(Nc2cc(C)cc(C)c2)c2cc(Cl)ccc2n1 38486600 NVYQNKLMNAYFJJ-UHFFFAOYSA-N 340.810 5.035 0 40 EKAB C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102346626 LQGXVFIKRVYZNB-NDUPCHFUSA-N 343.474 5.533 0 40 EKAB COc1cc(CNc2ccccc2)ccc1OCc1ccc(F)cc1 107041264 IWFGJZCEVZPFRM-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 223345347 WAKIVEPXONCIGY-QGZVFWFLSA-N 339.479 5.648 0 40 EKAB O=C(O)[C@H](Cc1cccc2ccccc12)Oc1cccc2ccccc12 225049310 MEEHEGQLHSQYDE-QFIPXVFZSA-N 342.394 5.068 0 40 EKAB CCO[C@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225818131 PVVNKGVIDZPQJU-QVKFZJNVSA-N 343.467 5.161 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCC(=O)OC 255004234 VCDLWFYODNTQOT-IEGUVPPZSA-N 342.523 6.637 0 40 EKAB Fc1cccc(-c2ccc([C@H]3CCCCN3Cc3ccncc3)cn2)c1 257249467 JIMVZTIPXPTCLI-JOCHJYFZSA-N 347.437 5.010 0 40 EKAB CCc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408623168 RKCJNCOOXAFYFG-UHFFFAOYSA-N 343.785 5.554 0 40 EKAB c1ccc(CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 409008224 WTTPZZHQUYGXCB-UHFFFAOYSA-N 348.427 5.094 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2ccccc2F)c(C)c1 409119518 UHXNWEJUQNZKIT-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CCCC[C@H](CC)C(=O)c1cccc(OCc2cccc(F)c2)c1 575357329 GTZXSHZHYDPSPA-KRWDZBQOSA-N 328.427 5.804 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 585162595 XYFUVLIWAXYEIS-GMFDKDDBSA-N 329.871 5.607 0 40 EKAB FC(F)(F)c1cccc(-c2cnc(SCc3ccccc3)nc2)c1 1400825 NQJUQLQMMRZJNS-UHFFFAOYSA-N 346.377 5.455 0 40 EKAB CCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 2024668 VPHSIKQGGHWYKD-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3s2)s1 2653922 VQTKNHGMSLAVJP-UHFFFAOYSA-N 336.441 5.277 0 40 EKAB Clc1ccc(-c2[nH]c(-c3cccnc3)nc2-c2ccccc2)cc1 4626002 NSIZVIPOPFNKDX-UHFFFAOYSA-N 331.806 5.459 0 40 EKAB CCC[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 5591487 MSNXALVXHJPDKK-AWEZNQCLSA-N 338.476 5.646 0 40 EKAB O[C@@H]1c2cccn2-c2cc(Cl)ccc2S[C@@H]1c1ccccc1 5593578 BOKTVCCWYWMDJW-QZTJIDSGSA-N 327.836 5.011 0 40 EKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 5681940 KXKRHLDHMIDNNB-UHFFFAOYSA-N 337.422 5.359 0 40 EKAB CCCCCN(CCCCC)C[C@@H](O)c1cc(Cl)ccc1OC 5973201 DTMYUHUPXXNNGM-GOSISDBHSA-N 341.923 5.064 0 40 EKAB O=C(c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 6536135 HRBHJNWLLUWBRA-GOSISDBHSA-N 348.273 5.403 0 40 EKAB C[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 12924569 OBTVGBXDSJSONZ-GFCCVEGCSA-N 329.852 5.088 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc[nH]c3=S)ccc21 29334779 NPOSQMHAEAAJQA-UHFFFAOYSA-N 347.443 5.124 0 40 EKAB Cc1nc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2o1 32451728 UBTAICHQEXTFIX-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1ccc(C)c(NC(=O)c2cc3cc(Br)ccc3o2)c1 41007092 OVZQFLISPLEHTH-UHFFFAOYSA-N 344.208 5.064 0 40 EKAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1Oc1ccccc1 59316096 LQNBAMQDMNERMV-UHFFFAOYSA-N 338.794 5.776 0 40 EKAB Cc1ccc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 85345351 AECJZSJDRGDLQN-UHFFFAOYSA-N 343.213 6.105 0 40 EKAB Cc1cccc([C@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)c1 223302310 LFPPCGZCAVBOPG-JOCHJYFZSA-N 329.443 5.131 0 40 EKAB CCc1ccccc1NCc1ccccc1OCc1cccc(F)c1 409115302 IMTPVDCEJLWJFN-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB CCc1cc(C(=O)Nc2ccc(Cl)cc2)sc1-c1ccccc1 585152398 ZJAFXHZOVLZQFY-UHFFFAOYSA-N 341.863 5.883 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 374221 OGZPRONWPZKFHF-GFCCVEGCSA-N 349.377 5.062 0 40 EKAB C[n+]1c(C2(O)CCCCCCCCCCC2)sc2ccccc21 1610000 JRWAGLNUDOLWRA-UHFFFAOYSA-N 332.533 5.218 0 40 EKAB S=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12 1620756 VFCZSWPNOOGGAJ-UHFFFAOYSA-N 328.440 5.802 0 40 EKAB CCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 2202329 SPHBLLMDFMRDGJ-UHFFFAOYSA-N 336.479 5.713 0 40 EKAB O=C(OCc1ccccc1Cl)C1(c2ccc(F)cc2)CCCC1 3255224 XAGPEKIZKGICBC-UHFFFAOYSA-N 332.802 5.034 0 40 EKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CCC2 3885065 XWSGVLPMCPZSSJ-WYMLVPIESA-N 349.817 5.463 0 40 EKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(C(C)C)cc1 4719190 UXEIZVVRTXMYCN-UHFFFAOYSA-N 345.870 5.570 0 40 EKAB C[N+]1=C(/C=C\c2ccc(O)c3ccccc23)C(C)(C)c2ccccc21 5049318 TVYPIJYGUMKRJV-UHFFFAOYSA-O 328.435 5.265 0 40 EKAB Cc1cc(-c2cn3ccccc3n2)c(C)n1Cc1ccccc1Cl 6314950 JYJXGGPPUATXMG-UHFFFAOYSA-N 335.838 5.121 0 40 EKAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13689045 UVLKBMBGNIGJMW-MRXNPFEDSA-N 333.431 5.369 0 40 EKAB COc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2)cc1 13935953 UWKINRXMBXWTTC-UHFFFAOYSA-N 348.471 5.099 0 40 EKAB Cc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2)c(C)c1 13935969 BTBPDWUOPHKXRH-UHFFFAOYSA-N 346.499 5.707 0 40 EKAB Cc1ccc(C)n1-c1sc2c(c1C(=O)O)CC[C@H](C(C)(C)C)C2 15014553 VFNYFRDGPDCXBL-ZDUSSCGKSA-N 331.481 5.005 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 20485473 WKXRWHZIQVXMBU-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB Cc1ccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)cc1 22073080 STZCNNXJAQHEKW-UHFFFAOYSA-N 331.419 5.003 0 40 EKAB c1ccc(-c2ccc(Oc3nc(-c4ccccc4)cs3)cc2)cc1 24971131 FLDXFIZWZRUFNP-UHFFFAOYSA-N 329.424 6.269 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 30863656 RSVGZDVGXCDVGS-GOSISDBHSA-N 339.479 5.360 0 40 EKAB CC1(C)C[C@H](NCCC2(Cc3ccc(Cl)cc3)CCCC2)CCO1 32070599 NEZMUALSXJTYKM-LJQANCHMSA-N 349.946 5.380 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 44848356 LPKPUQANJLHPHF-KRWDZBQOSA-N 339.932 5.440 0 40 EKAB O=C(Nc1ccc(F)cc1Cl)Nc1ccccc1C(F)(F)F 51354227 PLJJZUSDJNWUHP-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB Fc1cc(Br)ccc1CSc1cccc(Cl)c1 95733504 NDNBSKIGJDBQCB-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB CCCCn1c(C)c(CNC(C)C)c2cc(O[C@@H](C)CC)ccc21 223771217 JYPUFBARQVVBDN-INIZCTEOSA-N 330.516 5.425 0 40 EKAB O[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc2c3c(cccc13)CC2 226295636 KGUXXOLRRAHLHX-IBGZPJMESA-N 329.226 5.327 0 40 EKAB CC[C@H](C(=O)c1cc(OC(F)(F)F)ccc1Cl)c1ccccc1 575361488 KDQAODJPPYOUSI-ZDUSSCGKSA-N 342.744 5.615 0 40 EKAB Cc1c(CSCC(=O)Nc2ccccc2)cccc1-c1ccccc1 36296 TUOVFTSSGLQWSL-UHFFFAOYSA-N 347.483 5.534 0 40 EKAB O=C1c2ccccc2/C(=C\c2ccccc2)N1Cc1ccc(Cl)cc1 2500475 PWMFHAWIBGYJCY-KGENOOAVSA-N 345.829 5.494 0 40 EKAB Cc1cc(C)cc(Nc2ncnc3sc(-c4ccccc4)cc23)c1 3344464 MEDMGFUSWAUADV-UHFFFAOYSA-N 331.444 5.719 0 40 EKAB Cc1ccc(-c2cnc(NCc3ccc(C(C)C)cc3)n2C)cc1C 4678991 ZMEDWDMFYJWHEB-UHFFFAOYSA-N 333.479 5.439 0 40 EKAB Cc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1 8190808 FHADNZOBYNMPJT-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CC[C@@H](NCc1cc(C)c(OC(F)F)c(C)c1)c1ccc(OC)cc1 8395605 SLCALPRZNJNJMM-GOSISDBHSA-N 349.421 5.154 0 40 EKAB Clc1ccc(Nc2nnc(-c3ccc(Cl)c(Cl)c3)[nH]2)cc1 8903535 RFMOHVVURHCIIQ-UHFFFAOYSA-N 339.613 5.176 0 40 EKAB Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc1 13628519 BMZVYTIYAUGBRR-LJQANCHMSA-N 333.460 5.116 0 40 EKAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14398095 YNRYYJQGNIAWOF-INIZCTEOSA-N 325.452 5.007 0 40 EKAB CC(C)c1ccccc1NC[C@H](C)Oc1ccc(C(C)(C)C)cc1 19738328 QIZWQQNJSOCGEU-KRWDZBQOSA-N 325.496 5.987 0 40 EKAB Clc1ccc([C@H](c2ccccc2)N2CCc3ccccc3C2)cc1 25747542 CXCQFEOQOQSCFQ-QFIPXVFZSA-N 333.862 5.488 0 40 EKAB Cc1nc(-c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)co1 32752877 QJEMZSVNRYTQAZ-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C 44946132 TVFQLTWOLZIGMC-INIZCTEOSA-N 339.479 5.341 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1C 59351275 KJWWNSMJSDSLHM-ROUUACIJSA-N 339.479 5.072 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1N=NC[C@H]1c1ccccc1 100340919 ZVLZBNRHKZUUOD-LEWJYISDSA-N 326.399 5.155 0 40 EKAB COc1ccc(-c2c/c(=N\c3ccc(C)cc3)c3ccccc3o2)cc1 100700887 RWPZJKDDHBHZAB-DARPEHSRSA-N 341.410 5.649 0 40 EKAB Cc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Br 216733620 FPTHITSMFRPGEX-UHFFFAOYSA-N 330.225 5.689 0 40 EKAB Clc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)c(Cl)c1 216744208 WHHJSHFUKSIZJA-UHFFFAOYSA-N 329.186 5.592 0 40 EKAB COc1cc2c(cc1C)-c1nc(Nc3ccc(F)cc3)sc1CC2 408898958 YQAHRPLCGBUXFZ-UHFFFAOYSA-N 340.423 5.108 0 40 EKAB Cc1cccc(C)c1NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 385399 RSBRNPDSNNLEEY-KRWDZBQOSA-N 347.433 5.852 0 40 EKAB COc1ccc([C@@H](CCN[C@@H](C)c2ccccc2)CCC(C)C)cc1 2446811 APSCIINPCPVIBE-SIKLNZKXSA-N 339.523 5.956 0 40 EKAB CCCCCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 2518097 OLEIAVHEZNDACV-UHFFFAOYSA-N 346.511 5.562 0 40 EKAB c1ccc(-c2nc(CSc3nc4ccccc4s3)cs2)cc1 3182238 LIAAOFXGYJORMR-UHFFFAOYSA-N 340.498 5.712 0 40 EKAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 3348849 GYWQBRDCCRFOPI-QGZVFWFLSA-N 345.442 5.322 0 40 EKAB Fc1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1 7524367 OZIAWFGZMIWMLN-UHFFFAOYSA-N 325.427 5.000 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)CSc1ccc2ccccc2c1 7734726 AXDJYNFDUZADGO-INIZCTEOSA-N 349.499 6.084 0 40 EKAB FC(F)(F)c1nc(N2CCC[C@H]2c2cccs2)c2ccccc2n1 7990807 XHHWCUXJNHPNKE-ZDUSSCGKSA-N 349.381 5.052 0 40 EKAB c1ccc(/N=c2\scc(-c3ccccc3)n2C2CCCCC2)cc1 8048457 AWAIJHRYZBGDKS-DQRAZIAOSA-N 334.488 5.954 0 40 EKAB CCc1cccc(CC)c1NC(=O)CCc1ccc(-c2ccccc2)o1 9050749 UXVTYPBRNNZNDL-UHFFFAOYSA-N 347.458 5.643 0 40 EKAB CC(=O)Oc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 13581917 QQGOTMAKPDCFIF-DQRAZIAOSA-N 348.829 5.767 0 40 EKAB Cc1cc(C)c(NC(=O)c2sc(-c3ccccc3)nc2C)c(C)c1 17335425 SVCZBXRTRRKBFO-UHFFFAOYSA-N 336.460 5.296 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 20489478 FHMHDENGVYAWOQ-ZWKOTPCHSA-N 339.479 5.072 0 40 EKAB Cc1ccccc1NC(=O)c1cccnc1Nc1cccc(Cl)c1 22072520 JDAWZTBJLGWGHK-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 26424380 PMGWMHHXUXYCPU-UHFFFAOYSA-N 335.259 5.568 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 64982599 IVDJGPQCPUKEJU-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CCN(CC)c1ccc(NC(=S)Nc2ccc(F)cc2C)c(C)c1 71761147 HLXZRACBXHHEII-UHFFFAOYSA-N 345.487 5.098 0 40 EKAB CC(C)c1nc([C@@H](C)NCc2csc(-c3cccs3)n2)cs1 76900536 QNOJVGDKCSSIOB-LLVKDONJSA-N 349.550 5.302 0 40 EKAB Brc1c2c(c(Br)c3ccccc13)CCCC2 90470080 ZZGGDSYYBNAJPR-UHFFFAOYSA-N 340.058 5.244 0 40 EKAB CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)O 95786002 TYIOVYZMKITKRO-UHFFFAOYSA-O 328.561 5.629 0 40 EKAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2ccccc12 225794166 LXYBJEZCHAADNM-NRFANRHFSA-N 343.467 5.018 0 40 EKAB CC/C=C\C/C=C\C/C=C\CCCCCCC[C@H](O)CC(=O)OC 2061000485 BKZVZQXRWDUMDV-RKNGCWMJSA-N 336.516 5.500 0 40 EKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1 481963 UNDWXZUZBVNXEI-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB CC(=O)n1c2ccccc2c2nc(Nc3ccc(Cl)cc3)sc21 501148 CICFRVRAYGUFKO-UHFFFAOYSA-N 341.823 5.308 0 40 EKAB CC(C)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 560872 LTOCJKAHXFATMM-UHFFFAOYSA-N 346.257 5.835 0 40 EKAB CCCCCCSC[C@@H](CCCCCC)OCCOCCOC 5418424 UPFRFLWANMZACL-LJQANCHMSA-N 348.593 5.319 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccccc2CC)cc1 5951260 XBWWYUHCLYPXNT-UHFFFAOYSA-N 325.452 5.460 0 40 EKAB N=c1sc(SCc2cccc3ccccc23)nc2ccccc12 6874123 GUCSYORNWGTQNH-UHFFFAOYSA-N 334.469 5.221 0 40 EKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ccccn1)c1ccccc1 8705488 ZTUGSOUZTWJPOQ-NRFANRHFSA-N 344.439 5.279 0 40 EKAB Cc1cc(Nc2cccc(C(=O)O)c2)c2ccc(C(F)(F)F)cc2n1 19891668 WNSITQZKTBCMRP-UHFFFAOYSA-N 346.308 5.004 0 40 EKAB Cc1ccc([C@H](NC(=O)c2cccc(Cl)c2)c2ccccc2)cc1 21085283 GXCDWBXSFZZXOL-HXUWFJFHSA-N 335.834 5.168 0 40 EKAB CC1(C)C[C@H](NCCC2(c3ccc(Cl)cc3)CCCCC2)CCO1 32097242 QAAJVRXJHJTBRW-LJQANCHMSA-N 349.946 5.479 0 40 EKAB CC(C)Oc1ccc([C@H](CCN[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 32124175 ULEQXDNKKGBCBW-TZIWHRDSSA-N 347.543 5.151 0 40 EKAB biogenic O=C(/C=C/c1ccccc1)N1CCCC[C@H]1c1nc2ccccc2s1 32772700 QXJSGKJPXFZBIA-JKGDOXCYSA-N 348.471 5.063 0 40 EKAB O=C(N[C@H]1CCCc2ccccc21)/C(=C/c1ccco1)c1ccccc1 44899671 ILFHYOMWNYHGEI-CIPTZOQDSA-N 343.426 5.014 0 40 EKAB CCc1ccccc1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 67339191 UFOHXPJDJJLELX-CSKARUKUSA-N 325.795 5.301 0 40 EKAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3Cl)ccc2c1 68755472 QJCKJVYVSGLARM-CYBMUJFWSA-N 339.822 5.244 0 40 EKAB c1ccc(CN2CCCC[C@H]2c2cccnc2NC2CCCCC2)cc1 72214045 CKAAWAFQTHHUJB-QFIPXVFZSA-N 349.522 5.553 0 40 EKAB COc1cccc(-c2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 72427573 TVWJTBJWQGFFPW-UHFFFAOYSA-N 331.824 5.148 0 40 EKAB CCc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222905622 YSEUSOUXQREYMS-FQEVSTJZSA-N 339.479 5.343 0 40 EKAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc(C)cc2)c2ccccc2O1 223151159 VFNKPRMZFNESHT-DAMWEWLOSA-N 349.474 5.207 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 223409996 YMROWOSOZNPBTE-CQSZACIVSA-N 347.439 5.705 0 40 EKAB O=Cc1cc(Br)sc1Sc1ccc(Cl)cc1 161198 ZPPJZFLJCLEZGZ-UHFFFAOYSA-N 333.659 5.128 0 40 EKAB Cc1nc(-c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cs1 387594 PVKPUQWQHLDJKA-UHFFFAOYSA-N 349.484 5.986 0 40 EKAB Fc1ccccc1CSc1ncccc1-c1nc2ccccc2[nH]1 1329082 RSKFTGSBTLXPCE-UHFFFAOYSA-N 335.407 5.056 0 40 EKAB C(=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 1680857 IFDRDSWHWMTLKM-UHFFFAOYSA-N 344.457 6.849 0 40 EKAB biogenic C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 2633649 FIKACBVDMDWGRL-LJQANCHMSA-N 343.470 5.034 0 40 EKAB Cc1c(C2=CCCCC2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 3215709 ORFJATFSZCOEEN-UHFFFAOYSA-N 349.861 6.090 0 40 EKAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(Cl)cc(Cl)c1 6084012 JANRPTVVBGAQAM-UHFFFAOYSA-N 344.625 5.216 0 40 EKAB CC(C)Oc1cccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c1 6820121 NXRHRJNMCYHIQH-FQEVSTJZSA-N 331.415 5.101 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C)c1 8496323 SEACIQCFZAUARK-SFHVURJKSA-N 345.442 5.376 0 40 EKAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 29098080 CLEDAOVTTDVBOT-OAHLLOKOSA-N 348.446 5.264 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 38754269 YQURVMUXQUJRGL-CQSZACIVSA-N 331.843 5.178 0 40 EKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H](C)c1ccccc1F 40067833 BQFJOPHDNQRNFF-KGLIPLIRSA-N 340.398 5.036 0 40 EKAB COc1ccc(NC(=S)Nc2cccc(C(C)C)c2)cc1Cl 71760771 IEJDQCSYGPHLLD-UHFFFAOYSA-N 334.872 5.281 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 219609364 RNHFGEDUAQPPJC-MRXNPFEDSA-N 349.883 5.248 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 224459005 IQHNOGSHQQBCBC-LAUBAEHRSA-N 341.495 5.330 0 40 EKAB CCc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 225844547 YPLKHIAELAQTSO-DEOSSOPVSA-N 343.470 5.006 0 40 EKAB CCCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)c2ccccc21 409110571 WPHQVJQNVHKFSI-ZHZULCJRSA-N 349.474 5.424 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1 2025809 CNEWUGFAQDTBME-UHFFFAOYSA-N 340.448 5.036 0 40 EKAB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 5777357 BGIOIBOHHAWUIL-LFIBNONCSA-N 332.790 5.039 0 40 EKAB CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c2[nH]c2ccc(C)cc23)O1 6206700 YZBKHDJPIAYXQH-QHCPKHFHSA-N 331.459 6.540 0 40 EKAB endogenous,in-man Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(Cl)c1 6965033 AOTYOWVKWMKTTD-UHFFFAOYSA-N 342.870 5.137 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-n2cccn2)cc1 6994856 SWHUFZWPNFPULY-UHFFFAOYSA-N 347.462 5.371 0 40 EKAB Cc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 7279109 SYIZYVFOKQHLJN-JOCHJYFZSA-N 340.426 5.512 0 40 EKAB Clc1ccc(-c2ccc(CNCc3ccccc3)o2)c(Cl)c1 7538698 SQNCBLDMLMIRLO-UHFFFAOYSA-N 332.230 5.543 0 40 EKAB COc1ccc(/C=C/c2nc3ccccc3s2)cc1OC(F)F 7746042 MNLWFYADFCNFRK-VQHVLOKHSA-N 333.359 5.077 0 40 EKAB Cc1ccc(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)cc1 15729332 CIASJKXUHCYBNX-UHFFFAOYSA-N 349.430 5.265 0 40 EKAB biogenic O=C(CCSc1ccccc1)Nc1ccccc1Cc1ccccc1 15960224 FXGOOHFVMOCIIC-UHFFFAOYSA-N 347.483 5.398 0 40 EKAB Cc1cccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2)c1 22072464 ZZWYAESVSLMZRX-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCOC(C)=O 34871747 RKNFFTAYULCRTQ-FFTKBTNWSA-N 332.528 6.695 0 40 EKAB CCSc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 44946201 JIILOZLGBDFEOP-UHFFFAOYSA-N 349.883 5.250 0 40 EKAB Clc1ccc(-c2ccc(CNc3cccc4ccccc34)o2)cc1 106951780 KPLPWNRHMVBWLL-UHFFFAOYSA-N 333.818 6.365 0 40 EKAB C[C@H](c1ccc(F)cc1)[S@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 107520570 NMSWAUCAHJXYNP-KPVUDJQRSA-N 343.423 5.052 0 40 EKAB COc1cc(C)c([C@H](C)NC(=O)c2cc(C)ccc2C)cc1C(C)C 223379282 QLHSPBFYDKQBSQ-KRWDZBQOSA-N 339.479 5.235 0 40 EKAB O=C(NCC1=CCCCC1)c1ccc(CSc2ccccc2)cc1 223392546 OENYSMSHKPVVON-UHFFFAOYSA-N 337.488 5.209 0 40 EKAB CCCCOc1ccc(NC(=O)C2(C)CCCC2)c2ccccc12 225788530 VZXCCUVFPPFWIU-UHFFFAOYSA-N 325.452 5.538 0 40 EKAB CSc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409138271 ZHQSSRQBGFRTMM-LFIBNONCSA-N 347.505 5.025 0 40 EKAB O=C(CSc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 41148 MWJUPBTVHPHSFM-UHFFFAOYSA-N 346.666 5.378 0 40 EKAB Cc1ccc(SCc2cc3c(C(F)(F)F)nn(C)c3s2)cc1 1382692 ZOEOHOAXZUOKFS-UHFFFAOYSA-N 342.411 5.254 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1cccc(Cl)c1Cl 2517770 UDSZCGAHXVTDHZ-UHFFFAOYSA-N 331.601 5.601 0 40 EKAB COc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1OC 3898060 KYJQUDVIXVEFLV-XYOKQWHBSA-N 347.439 5.637 0 40 EKAB CSc1ccccc1C(=O)Nc1nc2c(C)cc(Cl)cc2s1 4517458 NBRBHAKYWTUKNC-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB CCCSCCn1c(C(=O)C(F)(F)F)ccc1-c1ccccc1 5431908 UJNPONZZKQCCIW-UHFFFAOYSA-N 341.398 5.043 0 40 EKAB Cc1ccc2[nH]c(-c3ccccc3OC(=O)c3ccccc3)c(C)c2c1 5619008 RNWYZKYGUGDELP-UHFFFAOYSA-N 341.410 5.671 0 40 EKAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)oc2c1 6776895 OZCMUAQCAKBABV-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 16385483 NVRAZDDCGFQUMS-YRGRVCCFSA-N 342.266 5.901 0 40 EKAB O=C(Cc1cccc2cccnc12)Nc1ccccc1-c1ccccc1 54519549 SCRVUKFOGYLIAH-UHFFFAOYSA-N 338.410 5.083 0 40 EKAB C[C@@H](Nc1cc(-c2ccc(C(C)(C)C)cc2)ncn1)c1ccccc1 82161304 DABUFLSZGUWGQY-MRXNPFEDSA-N 331.463 5.614 0 40 EKAB CC(C)COc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C 95915477 YKTSRNWYDKWZBU-UHFFFAOYSA-N 341.333 6.079 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222985582 FWVOQHYZBOTQEE-HXUWFJFHSA-N 339.479 5.224 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(F)c(Cl)c1 225349441 IDNAFXWZLVZATR-UHFFFAOYSA-N 346.616 5.357 0 40 EKAB CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)c2ccccc21 409114861 JROKVZVIAXNJSE-UYRXBGFRSA-N 335.447 5.034 0 40 EKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccccc1 409118337 PZWBAEVZOLYILK-UHFFFAOYSA-N 347.458 5.503 0 40 EKAB COc1cccc2c1CCC[C@@H]2CN(C)CCc1ccc2ccoc2c1 6304 MHPMXTGKTXJIDI-LJQANCHMSA-N 349.474 5.036 0 40 EKAB Cc1cc(C)c(C(=O)CC(O)(c2ccccc2)c2ccccc2)c(C)c1 1662246 AYVYXXDBOZHPPS-UHFFFAOYSA-N 344.454 5.121 0 40 EKAB Clc1cc(Cl)c2c(c1)Sc1cc(Cl)cc(Cl)c1N2 2350561 XGUBQXUXCYINAQ-UHFFFAOYSA-N 337.058 6.508 0 40 EKAB Cc1cc(C)c2nc(NC(=O)c3cccc4ccccc34)sc2c1 3218437 QCKWOZNPNWGAHZ-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB CC(C)(C)c1ccc(OCCC(=O)Nc2ccc(Cl)cc2)cc1 3328670 HUKQBEJVRRBVOD-UHFFFAOYSA-N 331.843 5.045 0 40 EKAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccccc1Cl 4880380 ZVSMDRQWWHICGB-JTQLQIEISA-N 333.819 5.118 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc2ccccc2c1 6232149 SYDIWKBBGLRZMZ-UHFFFAOYSA-N 333.431 5.289 0 40 EKAB CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 6963977 WJOQTOOFKPWOND-UHFFFAOYSA-N 330.642 5.658 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1oc2ccccc2c1COC 7349952 WPFNDNNQCNMKKU-AWEZNQCLSA-N 337.419 5.345 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1ccc2ccccc2c1 7734724 AXDJYNFDUZADGO-MRXNPFEDSA-N 349.499 6.084 0 40 EKAB CC(C)C(=O)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 7985815 QFOLWFCWDHVVBP-UHFFFAOYSA-N 330.840 5.270 0 40 EKAB Cc1oc(C)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C 12603808 WTKABTGZLILMDR-UHFFFAOYSA-N 345.402 5.000 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2cccc(Cl)c2Cl)cc1 14398323 ATSAVGUTCHHPQW-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB Cc1cccc(NC(=O)N(C2=NCCC2)c2ccc(C)c(Cl)c2)c1 16689860 PLWGLEXFOKYMLL-UHFFFAOYSA-N 341.842 5.188 0 40 EKAB CCCCCCOc1cccc(NCc2cccc(OCC)c2)c1 19738339 UBGDNTFAWPAJRP-UHFFFAOYSA-N 327.468 5.657 0 40 EKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1SC(C)(C)C 72217419 OLYFSZPPBIRLME-AWEZNQCLSA-N 336.501 5.044 0 40 EKAB CCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)c(F)c3)OC2)CC1 100074550 JXMAIPTTYWJVRY-MYSFIBGOSA-N 338.438 5.623 0 40 EKAB C[C@@H]1[C@H]2C[C@@H]([C@H]([C@H](Nc3ccccc3)c3ccccc3)C2=O)C1(C)C 102994941 AFKLAVFLSMAXRE-CMWLGVBASA-N 333.475 5.337 0 40 EKAB NCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 104166625 RVGZRKDYXUGTLQ-UHFFFAOYSA-N 347.039 5.007 0 40 EKAB C[C@H]1CCCCN1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 216799002 KSTYYYQSMXSCIR-AWEZNQCLSA-N 340.854 5.523 0 40 EKAB Fc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225855083 UDGICSHZOJODTQ-UHFFFAOYSA-N 348.874 5.235 0 40 EKAB CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl 366788 HSFZHIPCIXEHBG-QGZVFWFLSA-N 347.245 5.081 0 40 EKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1 425721 BCUCCWPQNLCYIJ-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(F)cc1)c1ccncc1 1014197 LRZYMQHTOZVUQF-NRFANRHFSA-N 331.394 5.212 0 40 EKAB CCCCCN(CCCCC)[C@H](C)[C@H](O)c1ccc(Cl)cc1 1700102 UAXZYFISZISZAZ-APWZRJJASA-N 325.924 5.444 0 40 EKAB CCCCCCc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 2093359 KOJVQRMHYNLGKP-UHFFFAOYSA-N 340.463 6.268 0 40 EKAB biogenic C1=C(c2ccc3ccccc3n2)[C@@H](c2ccccc2)Nc2ccccc21 3904591 DJVKTQCJMDTQCN-XMMPIXPASA-N 334.422 5.942 0 40 EKAB Cc1ccccc1Nc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12 3911558 AQBRXNIUWUFLQP-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(C)CC2)o1 5576778 STVKTSAOIDLEAQ-UARVQCNDSA-N 336.435 5.038 0 40 EKAB Cc1cc(C)c(C)c(OCCOCCOc2cc(C)cc(C)c2C)c1 5699957 FFOBVYKAFXOSLV-UHFFFAOYSA-N 342.479 5.012 0 40 EKAB Brc1ccc(-c2ccc(CNC3CCCCCC3)o2)cc1 7524943 APUSDIRKHCUGSB-UHFFFAOYSA-N 348.284 5.522 0 40 EKAB O=C(Nc1cnc2ccccc2c1)c1sc2ccccc2c1Cl 13208237 FXHFUMJKSMXQQY-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14396249 CGULVRJWBLBVEM-CYBMUJFWSA-N 349.883 5.085 0 40 EKAB O=C(Nc1cccc2ccccc12)OCc1ccc(Cl)cc1Cl 16545017 NXXPMXNGSCTPPA-UHFFFAOYSA-N 346.213 5.895 0 40 EKAB CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1 225355576 KPQUDILZBTYTJW-KRWDZBQOSA-N 336.262 5.194 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@@H]32)c(C)c1 252394304 FWYWHXFRKQRPHK-IHMOFHQZSA-N 337.507 5.879 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]21OCCS1 253595820 JIFTUOBNCNREQG-NFNVHOMESA-N 348.552 5.058 0 40 EKAB CCCC(CCC)C(=O)c1cccc(OCc2cccc(F)c2)c1 575357260 ALABEDKSJRTUPS-UHFFFAOYSA-N 328.427 5.804 0 40 EKAB Clc1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3N2)cc1 494899 DYIIVBZAOQSVRX-NRFANRHFSA-N 332.834 6.018 0 40 EKAB Clc1ccc2c(c1)N(CCCN1CCCC1)c1ccccc1S2 1758741 DUXPOLJSPYEFMP-UHFFFAOYSA-N 344.911 5.429 0 40 EKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 1868136 FTGMXCWAUNAZCT-UHFFFAOYSA-N 336.818 5.843 0 40 EKAB O=C(N[C@H]1CCCc2ccccc21)c1sc2ccccc2c1Cl 3335498 NRHJWRROZSDSNO-HNNXBMFYSA-N 341.863 5.362 0 40 EKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 5677474 PKRTYKUIUHJSJR-UHFFFAOYSA-N 339.260 5.038 0 40 EKAB CC(C)COC(=O)[C@H](C)Oc1ccc(Oc2ccc(Cl)cc2)cc1 5759346 XNBRPBFBBCFVEH-AWEZNQCLSA-N 348.826 5.099 0 40 EKAB CC(C)CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6271808 MFSJHMOWMAGCLF-UHFFFAOYSA-N 347.911 5.408 0 40 EKAB O=C(NCc1ccccc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 6885184 IIELZKWMYQKPFU-UHFFFAOYSA-N 346.213 5.183 0 40 EKAB FC(F)(F)c1cccc(CNC2c3ccccc3-c3ccccc32)c1 8038434 ZNIKWVGZEZZLHA-UHFFFAOYSA-N 339.360 5.565 0 40 EKAB O=C(Nc1ccc2scnc2c1)c1sc2ccccc2c1Cl 10217475 SYHRWYHMXLANPO-UHFFFAOYSA-N 344.848 5.417 0 40 EKAB C[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 13774742 KNYNUXCPFQOKRH-ZDUSSCGKSA-N 346.927 5.685 0 40 EKAB c1ccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 13810033 RVJJAGBHBNONPD-UHFFFAOYSA-N 334.422 5.905 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(C)cc1 20047185 QMTDVGSDRHMZGB-UXHICEINSA-N 339.479 5.037 0 40 EKAB Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 72284145 MOBKMDAFZPUHMW-UHFFFAOYSA-N 327.452 6.453 0 40 EKAB Cc1nc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2n1CCCC2 78985175 FRIVAPZYNUBSSX-UHFFFAOYSA-N 339.483 5.027 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1c(Cl)cccc1Cl 95916052 CEODLHIMMWDUJL-UHFFFAOYSA-N 327.210 5.891 0 40 EKAB CC(C)c1ccc(CCCNC(=O)CCc2ccccc2Cl)cc1 220021752 UOTCILCWFKGRNG-UHFFFAOYSA-N 343.898 5.145 0 40 EKAB CCCCCN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 409201182 KEPRNLYTRANERH-LGMDPLHJSA-N 325.433 5.066 0 40 EKAB Cc1cc(OCc2ccccc2)ccc1C(=O)C[C@@H](C)CC(C)(C)C 575356796 AFCPZGGJVDOSRP-QGZVFWFLSA-N 338.491 6.219 0 40 EKAB CC[C@H](C(=O)c1ccc(C(F)(F)F)c(Cl)c1)c1ccccc1 575360814 OPLKYLLDERGPKL-ZDUSSCGKSA-N 326.745 5.735 0 40 EKAB CC(C)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 551648 YOUANMTYKLZWIJ-UHFFFAOYSA-N 333.262 5.590 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(Br)cc1 568665 OSNVIVQEEUAUDM-GFCCVEGCSA-N 332.241 5.215 0 40 EKAB c1ccc(-n2cc3c(c2)CCc2cn(-c4ccccc4)cc2CC3)cc1 974212 RQXGKBNPWIIOJY-UHFFFAOYSA-N 338.454 5.152 0 40 EKAB O=C(O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 1718740 QFBFXQAGSUBTME-UHFFFAOYSA-N 339.394 5.714 0 40 EKAB C=Cc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 1797623 HQKRWQODMOHZFK-UHFFFAOYSA-N 346.426 5.202 0 40 EKAB Cc1cc(C)c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 4031680 UVFQFXCGFQIZTF-UHFFFAOYSA-N 340.492 5.068 0 40 EKAB COc1ccc2nc(Nc3nc(-c4cccs4)cs3)sc2c1 4137731 QEJHONKWKUPBNK-UHFFFAOYSA-N 345.474 5.234 0 40 EKAB Clc1cc(Cl)cc(-c2ccc(CNCc3cccs3)o2)c1 7524710 PTXXKDAPWRYCTQ-UHFFFAOYSA-N 338.259 5.605 0 40 EKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1SC(C)C 8495354 HVVSEUFUXGUYBD-UHFFFAOYSA-N 335.856 5.101 0 40 EKAB CC(=O)N(CC[C@H](Cc1ccccc1)c1ccccc1)Cc1ccco1 8990783 DFTLFDFQVRZFTN-JOCHJYFZSA-N 347.458 5.045 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 11690422 RCJXVHJSFNUXJG-UHFFFAOYSA-N 333.431 5.443 0 40 EKAB CSc1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 12549780 GDOQIGRJYAIZFP-UHFFFAOYSA-N 335.354 5.114 0 40 EKAB Cc1ccccc1NC(=S)N(Cc1ccccc1)c1ccccc1 13935947 TYLHLLBTUPOVMG-UHFFFAOYSA-N 332.472 5.399 0 40 EKAB S=c1[nH]cc(-c2ccc(Br)cc2)n1Cc1ccccc1 26423082 QCYJVHNPNNEWBH-UHFFFAOYSA-N 345.265 5.023 0 40 EKAB C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 33028196 YQCHMDAUZBYDEO-ACJLOTCBSA-N 348.273 5.115 0 40 EKAB O=C(Nc1ccccc1-c1cccs1)N1CC[C@@H](c2ccccc2)C1 89828091 RIJVKRSWCHFKFS-QGZVFWFLSA-N 348.471 5.437 0 40 EKAB COc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1Cl 106975626 ABBSJPNEMXYJDY-UHFFFAOYSA-N 330.642 5.576 0 40 EKAB Cc1ccc(NC(=S)NC2(c3cccs3)CCCC2)c(C)c1 225841842 PLVOLEQLDULCOE-UHFFFAOYSA-N 330.522 5.121 0 40 EKAB O=C(Cc1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 225869299 DCJJGEUPMBOLJW-UHFFFAOYSA-N 349.861 5.112 0 40 EKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)cc3C)sc2c1 38567 NLHNJRZQHZRSFL-UHFFFAOYSA-N 345.851 5.432 0 40 EKAB COc1ccc([C@H]2CC(c3ccncc3)=Nc3ccccc3S2)cc1 134557 RECIYLDWRBXHSX-OAQYLSRUSA-N 346.455 5.448 0 40 EKAB Fc1cccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)c1 165905 KIZVQSOSORWEHB-UHFFFAOYSA-N 325.195 5.318 0 40 EKAB Cc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)cc1 180043 OBQKPNLMGDFCPS-INIZCTEOSA-N 338.259 5.080 0 40 EKAB Cc1cc(C)c2oc(=O)cc(-c3oc4ccc(Cl)cc4c3C)c2c1 491156 WSTHTRXVTPBMKX-UHFFFAOYSA-N 338.790 5.785 0 40 EKAB biogenic CCCCSc1ccc(-c2ccc(C3=NC(C)(C)CO3)cc2)s1 2049146 WYHAVHPCOBDJGN-UHFFFAOYSA-N 345.533 5.863 0 40 EKAB Cc1sc2ncnc(NCC3(c4ccccc4)CCCC3)c2c1C 2769189 QVXIYZMZPNWOAI-UHFFFAOYSA-N 337.492 5.232 0 40 EKAB C[C@@H](NC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1 3453509 KEWQXEHPIJOSCG-MRXNPFEDSA-N 339.504 5.207 0 40 EKAB Cc1nc(Nc2cccc(Cl)c2)c2oc3ccc(Cl)cc3c2n1 5217027 ANRDALINIBXMCO-UHFFFAOYSA-N 344.201 5.735 0 40 EKAB CC(C)COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 7610794 YWZSZXDHBZMVET-UHFFFAOYSA-N 338.234 5.281 0 40 EKAB CCCC[C@H](CC)CNC(=O)c1c(OCC)ccc2ccccc12 8382795 HQJMLXDHLMNMTE-INIZCTEOSA-N 327.468 5.185 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 10646761 FXTQDMVEGJHPQS-INIZCTEOSA-N 333.456 5.473 0 40 EKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1F 12589667 UVICLCVUZCQSQM-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CC(C)C)cc1 13039585 JACJIQLGJIUCPZ-GOSISDBHSA-N 334.507 6.043 0 40 EKAB S=C(Nc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 13786471 LOLXVXNEOGYOQB-UHFFFAOYSA-N 331.655 5.456 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(C)C)cc2)c(C)c1 13931358 BLTSXDIHMPNESL-INIZCTEOSA-N 326.509 5.474 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2c(Cl)cccc2Cl)cc1 14400342 KXQAJBRKMAIREB-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1cccc2ccccc12 16608665 PLZIJELGFYSFPG-MDYRTPRTSA-N 325.452 5.849 0 40 EKAB CCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 36372529 QYKFGQQFZQYMFW-USSLWURLSA-N 337.507 5.218 0 40 EKAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1c(Cl)cccc1Cl 49546348 WRIAOLYKIFECKW-SECBINFHSA-N 338.238 5.069 0 40 EKAB c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)[C@@H]2CC[C@@H]3C2)cc1 101172115 NWMRZCSGFBTTPU-NHCUHLMSSA-N 346.473 7.539 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 206405935 RMJONAOWHYZZSH-NRFANRHFSA-N 346.499 5.379 0 40 EKAB CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(Cl)c1 216852596 HTBYVTBCIIOSCC-UHFFFAOYSA-N 340.806 5.249 0 40 EKAB CCCC[C@H](CC)CNC(=O)c1ccccc1OCc1ccccc1 224273910 QJECESHKGWDRCB-SFHVURJKSA-N 339.479 5.212 0 40 EKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225502906 PYDJVHFHLIFUCG-UHFFFAOYSA-N 337.463 5.316 0 40 EKAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225552791 SHVQIRSTIKMNKG-UHFFFAOYSA-N 343.854 5.189 0 40 EKAB CCC1(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)CCCCC1 1616035231 UFRISXDIGSQKKX-UHFFFAOYSA-N 326.465 5.013 0 40 EKAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)NC1CCCCC1 169715 XLRZYHBICACEKI-HNNXBMFYSA-N 344.499 5.220 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3ccccc3c2)cc1 505784 YXKPUIDEXTUSFT-MRXNPFEDSA-N 333.431 5.371 0 40 EKAB COc1ccc(-c2nc(-c3ccc(C)cc3)[nH]c2-c2ccccc2)cc1 552228 KNELKMWRRQGWGF-UHFFFAOYSA-N 340.426 5.728 0 40 EKAB CCCCCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1750919 IHDYJTIJGGOADD-UHFFFAOYSA-N 336.888 5.296 0 40 EKAB O=C(OCc1ccc(Cl)cc1)C1(c2ccccc2F)CCCC1 3363038 PDCYXLWFZLNBGZ-UHFFFAOYSA-N 332.802 5.034 0 40 EKAB CCOC(=O)[C@@](C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1 4212060 YWQGBCXVCXMSLJ-HXUWFJFHSA-N 346.854 5.041 0 40 EKAB in-man CC(C)C[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccccc1 4903653 BJAWMDJEHIWIRF-XZOQPEGZSA-N 349.518 5.864 0 40 EKAB CCCCCCC(=O)C[C@@H](SCC)c1c(Cl)cccc1Cl 5782540 OHDNBOBZEMMJDR-MRXNPFEDSA-N 347.351 6.717 0 40 EKAB Cc1cc(C)nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 5935314 NEONFXBTPFXETQ-HXUWFJFHSA-N 348.471 5.171 0 40 EKAB CC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 6224787 CXTQTYOWLRLXIL-OAQYLSRUSA-N 348.442 5.288 0 40 EKAB in-vitro Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)s1 6831128 YCGIFOJMJOXQIO-UHFFFAOYSA-N 348.899 5.343 0 40 EKAB Cc1ccc(NC(=O)c2csc(-c3ccsc3)n2)c(Cl)c1 12979694 MGUPXBOKAMDPLT-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB CC(C)Oc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 14796261 HDZINGAZRDFTRQ-UHFFFAOYSA-N 331.415 5.393 0 40 EKAB COc1ccc2c(=S)c(-c3ccc(Cl)cc3)c(C)oc2c1OC 26571963 UOGZQRLVFHTORY-UHFFFAOYSA-N 346.835 5.808 0 40 EKAB CC(C)Oc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 36559395 QORDWDHQRCWXJK-UHFFFAOYSA-N 345.442 5.071 0 40 EKAB Cc1ccc(CC(=O)Nc2cccc(C3SCCCS3)c2)s1 57191382 GZVATUWQNLQGLD-UHFFFAOYSA-N 349.546 5.106 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C 59351253 ATZASXVYCXVEPI-ROUUACIJSA-N 347.458 5.101 0 40 EKAB CCCOc1cccc(CNc2ccc(Br)cc2C)c1 70138221 UCQNQHAXPTVVDL-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB C[C@@H]1C[C@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1 95117630 LCYCPCASWDKMMA-VGSWGCGISA-N 342.442 5.279 0 40 EKAB O=C(CCNc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 98086603 JJWQAVVVSHXNRI-UHFFFAOYSA-N 340.426 5.434 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C(C)(C)C)cc2)c1 199720525 CPIOMBVOQCJTIM-UHFFFAOYSA-N 340.467 5.761 0 40 EKAB CC(C)Sc1ccccc1C(=O)NCCCc1ccccc1Cl 219653385 PTSBDJIFXCGOEP-UHFFFAOYSA-N 347.911 5.203 0 40 EKAB CC[C@@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(C)cc1C 225713370 SRVCSQJXPBSORA-GOSISDBHSA-N 326.509 5.358 0 40 EKAB Cc1cccc2cc(C(=O)Nc3ccccc3Oc3ccccc3)oc12 226044353 UZNKWMJKWGQFJJ-UHFFFAOYSA-N 343.382 5.786 0 40 EKAB CC[C@@H](C(=O)c1ccccc1OC(F)(F)C(F)F)c1ccccc1 575360628 KBAHDQCPVXTHOV-CYBMUJFWSA-N 340.316 5.300 0 40 EKAB Clc1ccc(OCCn2c(-c3ccccc3)nc3ccccc32)cc1 572564 KROSMCNXJQXIAM-UHFFFAOYSA-N 348.833 5.436 0 40 EKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(F)cc1F 2626222 WLPRISIMYLTJND-UHFFFAOYSA-N 341.810 5.129 0 40 EKAB Fc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 4171460 UGWRCIKJYFXHSD-NTCAYCPXSA-N 328.390 5.394 0 40 EKAB CCCN(CCC)CCCCCCCCCCCN1CCCCC1 4428722 LOVUMCNLWQIQQH-UHFFFAOYSA-N 338.624 6.105 0 40 EKAB CCCCCC(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 4614551 YGKQHWHDUHTZCH-UHFFFAOYSA-N 326.371 5.153 0 40 EKAB Cc1ccc(/N=c2\scc(-c3ccccc3)n2C(C)(C)C)c(C)c1 4619311 ZWKBQKJTKHWQDB-XDOYNYLZSA-N 336.504 5.821 0 40 EKAB Cc1c(Cl)cccc1Nc1c(-c2ccsc2)nc2ncccn12 4734033 FLGVMRGYZVJIIU-UHFFFAOYSA-N 340.839 5.163 0 40 EKAB CC(C)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 5413892 ADHRYLVTYXKXAY-UHFFFAOYSA-N 325.452 5.125 0 40 EKAB Cc1cc(-c2nn(-c3ccccc3)cc2C=O)ccc1OCCC(C)C 6796699 FVLLHGONGSVCAH-UHFFFAOYSA-N 348.446 5.085 0 40 EKAB Cc1cccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)c1 7504065 UPPRIQJNFDFAHR-FQEVSTJZSA-N 341.414 5.247 0 40 EKAB CC(C)COc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 8073724 WQUROKYXCIKGPS-UHFFFAOYSA-N 338.234 5.281 0 40 EKAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12 12745609 SGDBYEIICIHKNA-MRXNPFEDSA-N 342.442 5.131 0 40 EKAB Clc1ccc(/C=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 17004769 HAVYLNSMDRVBKD-AQTBWJFISA-N 340.813 5.853 0 40 EKAB Clc1cccc(-c2cnc(CN3CCC[C@@H]3c3cccs3)o2)c1 20947945 CTNRYWBGUVGQOQ-OAHLLOKOSA-N 344.867 5.394 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC(C)C)c1ccccc1 30851472 YWMADULBJMNKFN-UXHICEINSA-N 339.479 5.056 0 40 EKAB CCCCc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 67339621 PUKYSNWAXQUIKM-ACCUITESSA-N 349.430 5.436 0 40 EKAB CC(C)c1ocnc1C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 95956536 WZXKFGRSBOWTRN-OAHLLOKOSA-N 349.434 5.223 0 40 EKAB CC(C)(C)c1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102303234 FRJVADSHHKGSTK-VKFLQFAXSA-N 345.914 5.500 0 40 EKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCCCC1 225658003 HOXISJWFRVFXDM-QGZVFWFLSA-N 347.499 5.240 0 40 EKAB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@H](C)C1 225665229 OKQJRBIUHSLRNV-HRAATJIYSA-N 347.499 5.096 0 40 EKAB O=C(NCc1ccc(-c2ccsc2)o1)c1cc2ccccc2s1 575611872 ZEKRIKWIEDKASC-UHFFFAOYSA-N 339.441 5.153 0 40 EKAB Cc1cc(Br)cc(C)c1OCc1cccc(Cl)c1 2297736036 LSZKZODMMPGWQV-UHFFFAOYSA-N 325.633 5.298 0 40 EKAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)NC1CCCCC1 169719 XLRZYHBICACEKI-OAHLLOKOSA-N 344.499 5.220 0 40 EKAB CC(C)CC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 367676 SMQYJWYYBUPYOH-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB COc1ccccc1[C@H](Nc1ccccc1)c1c(C)[nH]c2ccccc12 506055 SWZGYNFKOWRDOZ-QHCPKHFHSA-N 342.442 5.686 0 40 EKAB C/C(=C\C=C\c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 3845760 QISFQSCEYMPVBC-HNUWSNQYSA-N 326.480 5.650 0 40 EKAB CCC[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846414 GTJWLICNGQSVJA-RSPOEFSDSA-N 344.495 5.290 0 40 EKAB biogenic c1ccc2c(C(c3ccsc3)c3c[nH]c4ccccc34)c[nH]c2c1 4164859 YAQAYLMEIWEWBJ-UHFFFAOYSA-N 328.440 5.891 0 40 EKAB O=C(CCc1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1 6344166 WNYWCIGNCQGVMN-UHFFFAOYSA-N 348.880 5.096 0 40 EKAB CCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 12419893 DXIZNEMJWIWVHI-UHFFFAOYSA-N 344.458 5.959 0 40 EKAB Cc1c(C(=O)Nc2ccc(F)cc2Cl)oc2c(Cl)cccc12 15009646 NNFFFOICABJAEY-UHFFFAOYSA-N 338.165 5.439 0 40 EKAB Cc1noc2c1N=C(c1ccc(F)cc1)C[C@H](c1ccc(F)cc1)C2 19872810 GPSFKWNXOCEEJT-HNNXBMFYSA-N 338.357 5.112 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 20041486 CYDISZQTUOYGDL-SFHVURJKSA-N 343.492 5.212 0 40 EKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2cccc(F)c2)cc1 22072223 NUQQKZRGBYSZJY-UHFFFAOYSA-N 349.409 5.340 0 40 EKAB Clc1ccc2nccc(Nc3cccc(Br)c3)c2c1 32605108 URMXOPJBVWSLLM-UHFFFAOYSA-N 333.616 5.394 0 40 EKAB CCCCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 70462047 UBAPAZSCLDCFAO-UHFFFAOYSA-N 338.407 5.028 0 40 EKAB c1ccc(CN2CCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 72212129 GGPYEHIWFNJTIR-NRFANRHFSA-N 330.431 5.211 0 40 EKAB C[C@@H]1CC2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2=C(O)C1 101885482 UCWKEZUTBRUCLX-MPBGBICISA-N 339.435 5.987 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)cc(C)cc1C 222985443 YUSRFUHFXDYREQ-LJQANCHMSA-N 325.452 5.025 0 40 EKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2O1 223478461 YQRADGJBKJBDJW-LJQANCHMSA-N 337.463 5.116 0 40 EKAB CCCC[C@@H](CC)CNC(=O)c1cccc(OCc2ccccc2)c1 224270196 NEUACTNUDQYWDJ-GOSISDBHSA-N 339.479 5.212 0 40 EKAB Cc1ccsc1-c1nc(O)c2c3c(sc2n1)CCCCCC3 408985179 ACUGKGDMVCEBDT-UHFFFAOYSA-N 330.478 5.093 0 40 EKAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1cccc2ccccc12 675007673 GOZRYXUZIDZLTM-LJQANCHMSA-N 347.439 5.056 0 40 EKAB CCc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 182625 YJKLLTRYWDMBPS-UHFFFAOYSA-N 329.399 5.125 0 40 EKAB Cc1ccc2nc(NC(=O)c3ccc4c5c(cccc35)CC4)sc2c1 277376 QHICBUBLQYWCKY-UHFFFAOYSA-N 344.439 5.109 0 40 EKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)c(Cl)c1 569688 LGJPNHGSMINBPG-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB Cc1ccc2ccc(CC(O)(c3ccccc3)c3ccccc3)nc2c1 1562834 WIRSEUBPDFAMJC-UHFFFAOYSA-N 339.438 5.022 0 40 EKAB O=C(Nc1ccccc1OC(F)(F)F)C1(c2ccccc2)CCCC1 2512623 KFQWNAMNYKAHML-UHFFFAOYSA-N 349.352 5.036 0 40 EKAB C[P@](=O)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)F 3176990 ZJZCLKSFPMLRDW-PEBXRYMYSA-N 330.242 5.209 0 40 EKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 3897711 AZUOJYHOAWIVLM-MTNREXPMSA-N 336.475 5.971 0 40 EKAB COc1ccc2nc(Nc3nc4ccc(Cl)cc4s3)sc2c1 4137723 JIYVWXRBVBPVCX-UHFFFAOYSA-N 347.852 5.312 0 40 EKAB COc1ccc(/C=C/C(=O)n2c3ccccc3c3ccccc32)cc1 4309415 CVFLBPMOSBLFTP-NTCAYCPXSA-N 327.383 5.157 0 40 EKAB Cc1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 4543740 WETNZWMEWIFTQS-XDJHFCHBSA-N 347.845 5.828 0 40 EKAB CCc1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 6941078 DYMLNRTUWMCWEV-OEAKJJBVSA-N 346.430 5.105 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 8492959 AYOSEPCHBZFXPL-KRWDZBQOSA-N 325.452 5.052 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N(C1=NCCC1)c1cccc(Cl)c1 10165974 DNEACFLUFXAUGN-UHFFFAOYSA-N 348.233 5.224 0 40 EKAB CC(C)c1cccc2cc3c(nc12)O[C@@H](C)CN(Cc1ccccc1)C3 13563856 YDGGXJDVAUCGOL-KRWDZBQOSA-N 346.474 5.141 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710719 HDZCGMPYKOMVRP-QGZVFWFLSA-N 325.452 5.052 0 40 EKAB COc1c(C)cccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 14258492 SQXAUBGPPKJRCE-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB COc1ccc(N(c2ccc(C)cc2)c2ccc(C(=O)O)s2)cc1 16292614 YZEKWLYRFPDXER-UHFFFAOYSA-N 339.416 5.233 0 40 EKAB Cc1ccccc1COc1cccc2ccc(N3CCC[C@H](C)C3)nc12 17135898 POPLAJNNCYFPPG-KRWDZBQOSA-N 346.474 5.359 0 40 EKAB CC(C)=CC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 22833480 XCGQKQNOQXDOEP-UHFFFAOYSA-N 333.265 5.083 0 40 EKAB COc1ccc(-c2cnc(SCC(C)C)n2-c2ccccc2)cc1 44085330 WPEJVFAGHZTXRX-UHFFFAOYSA-N 338.476 5.296 0 40 EKAB CN(c1ccccc1)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72214187 GPVHZCGOHQCLTH-QFIPXVFZSA-N 343.474 5.187 0 40 EKAB CCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225620824 YOOPGHAHZJAVQS-OXJNMPFZSA-N 335.488 5.015 0 40 EKAB CCc1ccc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)cc1 225710124 CPZWKDYUYSUHTF-IBGZPJMESA-N 326.509 5.304 0 40 EKAB Cc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1C 225806082 AJESGMYJKXSSJA-UHFFFAOYSA-N 340.536 5.346 0 40 EKAB CCN(CC)CCCCCCNc1ccnc2cc(Cl)ccc12 1555296 NDMIXVHHIRTEFY-UHFFFAOYSA-N 333.907 5.202 0 40 EKAB C[n+]1c(-c2ccccc2)cc(-c2ccc(O)cc2)cc1-c1ccccc1 3185737 UTSXMSSCYZLPHT-UHFFFAOYSA-O 338.430 5.218 0 40 EKAB CC(C)[C@@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 4981091 OQWGLWCRYXDABC-GAHAVRLESA-N 339.523 5.147 0 40 EKAB CCCCCCNCc1cccc(OCc2ccc(Cl)cc2)c1 7261067 PCCYHDAGILDIBB-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB Cc1ccc(Nc2nc(CSc3cc(C)ccc3C)cs2)cc1 7735019 LZTZFCMJRMMSMF-UHFFFAOYSA-N 340.517 6.104 0 40 EKAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1 9063968 HZBWHNNDBHAQSP-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB Cc1noc(C)c1COc1ccccc1-c1nc2ccccc2s1 12811948 ZWZRZPNWBKKAIP-UHFFFAOYSA-N 336.416 5.147 0 40 EKAB Cc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2)cc1C 13935967 SPWRFOONKGCPAM-UHFFFAOYSA-N 346.499 5.707 0 40 EKAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)C1(C)C 16138644 INODLQKPSMXPAZ-VQTJNVASSA-N 347.458 5.095 0 40 EKAB CC(C)Oc1ccccc1NC[C@@H](C)Oc1ccc(C(C)C)cc1 19737485 KJMUGYSPRLCNRN-QGZVFWFLSA-N 327.468 5.477 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1C 20493416 UPMNCZSUTWFIOI-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1(c2ccccc2)CC1 23239277 ANFIGCWNELSFSN-UHFFFAOYSA-N 329.399 5.149 0 40 EKAB C[C@@H](c1cccs1)N(C)C(=O)c1cccc(Oc2ccccc2)c1 24538417 FOKIBLHZLJGGAP-HNNXBMFYSA-N 337.444 5.374 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc(F)ccc1F 28210786 DQTYXZLHQSFQND-UHFFFAOYSA-N 341.382 5.368 0 40 EKAB O=C(/C=C/c1ccc(-c2ccccc2)s1)N(Cc1ccco1)C1CC1 29011895 SQNLZTPWYYQFPC-ACCUITESSA-N 349.455 5.213 0 40 EKAB CSc1ccc(Cl)c(C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)c1 30836512 VHDINRDCYFVICN-NWDGAFQWSA-N 325.905 5.007 0 40 EKAB FC(F)(F)c1cccc(Nc2nc3ccc(Cl)cc3s2)c1 89065141 ORHUSYJBBBUJNL-UHFFFAOYSA-N 328.746 5.712 0 40 EKAB COc1ccc(C[C@H]2C(=O)N(c3ccccc3)c3ccccc32)cc1C 101014926 WARQQVVEHNJUPJ-HXUWFJFHSA-N 343.426 5.008 0 40 EKAB Brc1ccc(-c2ccc(CNc3ccccc3)o2)cc1 106951449 BMMWFFQVHHWRCU-UHFFFAOYSA-N 328.209 5.321 0 40 EKAB CC(C)[Si](C(C)C)(C(C)C)n1cc(Cl)c(Br)c1 169808705 LKVHORQSLCGSKD-UHFFFAOYSA-N 336.777 5.928 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 219592723 KWDUEHFOEPAYBA-LEWJYISDSA-N 339.479 5.056 0 40 EKAB CC(=O)c1cc2c(cc1C)N(C(=O)c1ccccc1)C(C)(C)C[C@@H]2C 1548338338 LXBYZHTUHFYKAQ-HNNXBMFYSA-N 335.447 5.130 0 40 EKAB CC(C)(CNC(=O)Nc1ccccc1)SCc1ccc(Cl)cc1 1383334 RSJMUONBABYIPZ-UHFFFAOYSA-N 348.899 5.174 0 40 EKAB Cc1cc(OP2(=O)Nc3cccc4cccc(c34)N2)ccc1Cl 1575832 PHVANJRDFRMFSL-UHFFFAOYSA-N 344.738 5.826 0 40 EKAB O=C(c1cccc(C(F)(F)F)c1)c1ccccc1Cc1ccccc1 1654278 LRSSVKCWMSRWEZ-UHFFFAOYSA-N 340.344 5.527 0 40 EKAB CC(C)c1cccc(C(C)C)c1CC(=O)c1ccc(C(C)(C)C)cc1 2069635 HWNNWOQBQKNXKB-UHFFFAOYSA-N 336.519 6.656 0 40 EKAB Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(Cl)c1 3362683 RLDPPXSXXIKQNP-UHFFFAOYSA-N 328.626 5.136 0 40 EKAB O=C(Cc1cccc2ccccc12)Nc1ccc2c3c(cccc13)CC2 4070090 BFOQFAPEDCWHHI-UHFFFAOYSA-N 337.422 5.273 0 40 EKAB Oc1ccc(Cl)cc1C1=Nc2ccccc2N=C(C(F)(F)F)C1 6896832 CFEUYSSAVRZUBU-UHFFFAOYSA-N 338.716 5.205 0 40 EKAB Cc1cc2nc(N[C@@H](C)c3ccccc3Cl)c3ccccc3n2n1 7779330 ZNPPJCDKGFSRBJ-ZDUSSCGKSA-N 336.826 5.017 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 11400241 HFAILLRDFJGEQW-LLVKDONJSA-N 340.275 5.421 0 40 EKAB C[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1cccs1 12981173 UYAQBPCNDNRBFI-NXEZZACHSA-N 343.279 5.176 0 40 EKAB Clc1ccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 30824060 YXSQCDYDIVAGQE-UHFFFAOYSA-N 325.582 5.364 0 40 EKAB CCCCN[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 31911553 RTLVKWIQBKLSKT-QGZVFWFLSA-N 336.262 5.307 0 40 EKAB Cc1cccc(C)c1NC(=S)Nc1ccccc1-c1cccs1 54296444 MFRDKCPPVHNQMP-UHFFFAOYSA-N 338.501 5.841 0 40 EKAB CN(c1ccccc1)c1ccccc1C(=O)Nc1nc(C2CC2)cs1 65498795 CYIURYXQNSPZLJ-UHFFFAOYSA-N 349.459 5.041 0 40 EKAB CCCCc1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)cc1 225129177 WNQQGWUYPBQQJP-JOCHJYFZSA-N 348.442 5.257 0 40 EKAB Cc1ccc(C)c(NC(=S)NCCCSC2CCCCC2)c1 225589557 BHNHJOFJGFIHER-UHFFFAOYSA-N 336.570 5.046 0 40 EKAB CCC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 253617378 WYXLHJNYQBRALN-FUGAYHEQSA-N 344.539 5.907 0 40 EKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(Cl)c1 141416 FGGZSADJRUWLIC-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB C[C@H](C(=O)Nc1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1 385411 KMNIEGPSFRYXSN-AWEZNQCLSA-N 337.369 5.374 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 514069 FQFSTGAGCPHUPP-QPJJXVBHSA-N 340.637 5.607 0 40 EKAB CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 587044 BOJXDZZBHBGNFS-UHFFFAOYSA-N 344.867 5.601 0 40 EKAB Cc1[nH]c(C)c2cc(-c3ccccc3)c(=O)c(-c3ccccc3)cc12 1010536 LCMWJALRSSAJJI-UHFFFAOYSA-N 325.411 5.479 0 40 EKAB CCCCCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 2063471 GHPJDZYFFSHNIA-UHFFFAOYSA-N 338.476 5.791 0 40 EKAB Cc1ccc2nc(Nc3cccc(O)c3)nc(-c3ccccc3)c2c1 4372071 GIPKBONMCKXEAL-UHFFFAOYSA-N 327.387 5.054 0 40 EKAB CCCCCC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1O 5417869 DKGRERVISNADCL-UHFFFAOYSA-N 334.419 5.008 0 40 EKAB Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5o4)cc3)oc2c1 6216622 CNMZVBGNZFSWES-UHFFFAOYSA-N 340.382 5.920 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 6308338 SUWPLGKJJSFWEP-CQSZACIVSA-N 347.911 5.974 0 40 EKAB C[C@H](NCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 6467886 NGYSYMVTYBPCTL-GOBPUOAWSA-N 348.328 5.144 0 40 EKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2ccccc2c1 9141498 SJDYFGXICKZCPN-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1 11690418 LJPAMBNEQCPEER-UHFFFAOYSA-N 347.458 5.950 0 40 EKAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CCCCCC1 13002660 DLKVNXCXGGVUPH-UHFFFAOYSA-N 336.479 5.094 0 40 EKAB c1ccc(-c2csc(N(c3ccccc3)c3ccccc3)n2)cc1 16493323 LQFGBQNMJQKJOQ-UHFFFAOYSA-N 328.440 6.280 0 40 EKAB CC(C)(C)c1ccc(OCCNc2cc(Cl)cc(Cl)c2)cc1 19737743 HDJMRAHVNZHJBZ-UHFFFAOYSA-N 338.278 5.782 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(F)cc1 20461026 CYFXAFXIVPBYOB-NKLKJHRZSA-N 338.209 5.023 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)ccc1C 20461124 PBYXTBUVOAJOOX-NRFANRHFSA-N 333.431 5.253 0 40 EKAB Cc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1 27027176 BJBUCBWMPPDDOS-UHFFFAOYSA-N 333.865 5.233 0 40 EKAB CCN(CC)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 31923820 QJWXXLPUXDJRCB-QGZVFWFLSA-N 336.262 5.259 0 40 EKAB Cn1cc(C(=O)Nc2ccccc2Cc2ccccc2)c2ccccc21 32738588 OPOBWLOYPCKXNH-UHFFFAOYSA-N 340.426 5.021 0 40 EKAB CC(C)(C)c1ccc2nc(C(F)(F)F)cc(Br)c2c1 75893662 WSKNDPSDFFSAIM-UHFFFAOYSA-N 332.163 5.314 0 40 EKAB Fc1cc(F)cc(SCc2cc(F)ccc2Br)c1 95733648 CFBDHXLWKOBPJB-UHFFFAOYSA-N 333.172 5.159 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Cl)cc1C 222980049 DHLPCNBJDLNUID-GOSISDBHSA-N 331.843 5.061 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2ccccc2F)C(C)C)c(C)c1 225764049 IZBLGDGCPFCAPY-GOSISDBHSA-N 330.472 5.126 0 40 EKAB O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 226293312 QITJVAZUMCLDLR-LJQANCHMSA-N 329.226 5.742 0 40 EKAB Clc1cccc(Oc2ccccc2OCCCN2CCCCC2)c1 585266250 YZHORBOFZIOXSY-UHFFFAOYSA-N 345.870 5.387 0 40 EKAB O=C(c1sc2ccccc2c1Cl)N1CCCc2ccccc21 67242 IRGLHMCVPXZFOK-UHFFFAOYSA-N 327.836 5.148 0 40 EKAB Cc1cc(C)c2nc(C)cc(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 920319 IKMMXZVVHKTPNM-UHFFFAOYSA-N 338.838 5.374 0 40 EKAB Fc1ccc(-c2cn3cc(Cc4ccccc4Cl)sc3n2)cc1 5020473 DYPFLSBYPGNVNX-UHFFFAOYSA-N 342.826 5.446 0 40 EKAB CC(C)CC[C@H](CCNC1CCC(C)CC1)[C@@H]1CCOC(C)(C)C1 5323776 CXPICRZSLAMVRH-JWFWCLOMSA-N 337.592 5.802 0 40 EKAB CCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 6152717 VMHJMZWGPMAFFE-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB COc1ccc(Cl)cc1NC(=S)Nc1ccc(C(C)C)cc1 6239287 IHZOORMDFYTVRQ-UHFFFAOYSA-N 334.872 5.281 0 40 EKAB COc1cccc(-c2c(Nc3ccccc3)oc3cc(C)oc(=O)c23)c1 6671854 PDQCQCAHLBXQCZ-UHFFFAOYSA-N 347.370 5.114 0 40 EKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1Cl 7062040 GNHLWBXZBAKTKA-NSHDSACASA-N 347.846 5.128 0 40 EKAB C[C@H](Sc1nc2ccccc2s1)c1nnc(-c2ccccc2)o1 7748086 IMBVDBFOSHITAB-NSHDSACASA-N 339.445 5.200 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 10337450 UVDVJKCJQFUKBX-UHFFFAOYSA-N 346.268 5.144 0 40 EKAB CC(C)COc1ccc(NC[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 19738162 BSRKFRFQLWIMEG-GOSISDBHSA-N 341.495 5.724 0 40 EKAB CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1 19894598 NYFQNKHGACZRAA-UHFFFAOYSA-N 336.460 5.323 0 40 EKAB Cc1ccc(-c2cc(C(=O)Sc3ccc(Cl)cc3)no2)cc1C 20896673 QUESGYAWKIPROB-UHFFFAOYSA-N 343.835 5.544 0 40 EKAB Cc1cc(Br)ccc1NCc1c(Cl)cccc1Cl 21009372 SRGDSGHKCTZQCS-UHFFFAOYSA-N 345.067 5.676 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 38754270 YQURVMUXQUJRGL-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB Clc1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 73639909 OHKFXHZSQCRFPZ-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB Cc1noc(C2CC2)c1NC(=O)Nc1ccccc1SC(C)C 97162328 QXVSLXAKLZXGSO-UHFFFAOYSA-N 331.441 5.005 0 40 EKAB CC(C)C1=C(C(C2=C(C(C)C)C=CC2)C2=C(C(C)C)C=CC2)CC=C1 98074330 FGWISCDHKUCWBD-UHFFFAOYSA-N 334.547 7.340 0 40 EKAB C[C@@H]1CCCCN1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 216798958 KSTYYYQSMXSCIR-CQSZACIVSA-N 340.854 5.523 0 40 EKAB Clc1cc(Cl)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 216913661 CBOUSPBWDKGDMH-UHFFFAOYSA-N 339.225 6.204 0 40 EKAB CCCCc1ccc(NC(=O)CSCc2ccccc2F)cc1 222702498 VOJIMELGUYKHDS-UHFFFAOYSA-N 331.456 5.040 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2SC(C)C)cc1 225538688 LSDQXFHZFZTGDV-OAHLLOKOSA-N 327.493 5.241 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1 225748510 YEIAFAYMESPEFQ-HXUWFJFHSA-N 335.488 5.180 0 40 EKAB CCCC(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C)CC)cc2)c1 367260 WVOFEMHCRYENPD-HNNXBMFYSA-N 338.451 5.191 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1cccc(Oc2ccccc2)c1 2630260 WKYYBBPJOCIPMV-UHFFFAOYSA-N 337.806 5.693 0 40 EKAB O=C(CCSc1ccc(F)cc1)Nc1ccc2sccc2c1 5192732 MWNSKSVOWOGDCY-UHFFFAOYSA-N 331.437 5.161 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 5839689 GWKGYPGCMYNHGH-JLHYYAGUSA-N 347.380 5.655 0 40 EKAB CC(C)c1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6347748 VDUDVYLAZNSNCE-CEQIKUNHSA-N 333.431 5.335 0 40 EKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2ccccc2)n1 17068215 ISKQCHIDXAKBDR-UHFFFAOYSA-N 332.353 5.485 0 40 EKAB c1ccc(COc2ccccc2CNC2C3CC4CC(C3)CC2C4)cc1 22073752 KEOKVUILGPMSOI-UHFFFAOYSA-N 347.502 5.180 0 40 EKAB Cc1ccc(C)c(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 44844433 YVKSOQGNVPAKLL-DEOSSOPVSA-N 343.470 5.060 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 58840006 WUGHGXWZFHAUOG-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CCCN(C(=O)c1c(-c2ccccc2)noc1C)c1cccc(C)c1 58978841 SDWZQBPUUZFJAN-UHFFFAOYSA-N 334.419 5.015 0 40 EKAB c1ccc(CN2CCCC[C@H]2c2cccnc2Oc2ccccc2)cc1 72212226 DAPNVSWYTPGJIK-QFIPXVFZSA-N 344.458 5.601 0 40 EKAB O=[N+]([O-])c1ccc(N=Nc2c(O)ccc3ccccc23)c(Cl)c1 254498415 XLTMWFMRJZDFFD-UHFFFAOYSA-N 327.727 5.522 0 40 EKAB Cc1ccccc1/C=C/CN1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1 352063287 FJFLDQXXCJUUBR-JLHGHFKBSA-N 335.491 5.014 0 40 EKAB Cc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 99989 GESVUFBSZBJFJY-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 309736 LURMHYUIEJJDHF-FQEVSTJZSA-N 348.833 5.420 0 40 EKAB O=C1[C@@H](C2(Cl)CCCCC2)CCC[C@@H]1C1(Cl)CCCCC1 2272763 KOEQHYLZXJFOST-GJZGRUSLSA-N 331.327 5.855 0 40 EKAB CC(=O)c1ccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1 2540186 DFXZCYWYZCZXIH-UHFFFAOYSA-N 332.680 5.493 0 40 EKAB CSc1ccccc1C(=O)Nc1cccc(Oc2ccccc2)c1 2654220 NOCWBZRCQLEOPD-UHFFFAOYSA-N 335.428 5.453 0 40 EKAB S=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 3257419 YFYUSEZBFCDVSZ-UHFFFAOYSA-N 345.899 5.139 0 40 EKAB Cc1ccccc1CSCC(=O)Nc1c(Cl)cccc1Cl 3601228 YIMFWNDISAOSFJ-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@@H]2CCC[C@@]1(C)NCc1ccccc1 4428478 MMVNVYJRDHSDSD-DSNGMDLFSA-N 347.546 6.188 0 40 EKAB CC(C)C[C@H](Nc1ccccc1Cl)c1nnnn1C1CCCCC1 4671921 QHZFDKUMPSZGHR-KRWDZBQOSA-N 347.894 5.031 0 40 EKAB CCCCCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 4733345 GTFAOBUYLDFKMM-UHFFFAOYSA-N 343.814 5.062 0 40 EKAB Cc1ccc(C)c(C(=N)c2ccccc2Cc2cccc3ccccc23)c1 4974856 RBDKFMIOABXIMI-UHFFFAOYSA-N 349.477 6.464 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1 5951251 BQNRNCRTCJDSJW-UHFFFAOYSA-N 325.452 5.515 0 40 EKAB Cc1cc(SCCOc2ccc(Cl)cc2)nc2ccccc12 6330630 HIKPYCDHRVVYGN-UHFFFAOYSA-N 329.852 5.368 0 40 EKAB Cc1ccc(C)n1-c1sc2c(c1C(=O)O)CC[C@@H](C(C)(C)C)C2 15014554 VFNYFRDGPDCXBL-CYBMUJFWSA-N 331.481 5.005 0 40 EKAB Clc1cccc2c(-c3nc4c(ccc5ccccc54)o3)cccc12 16526142 SYOWCCVZJMDEAQ-UHFFFAOYSA-N 329.786 6.455 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)nc3cc(C)ccn23)c1 35616274 XNQQNROORDHCOW-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 38822848 IBBQUCJURNNONW-QFIPXVFZSA-N 346.861 6.004 0 40 EKAB c1ccc(-c2cnc(CSc3ncc(-c4ccccc4)o3)o2)cc1 48314734 DOSKMXJRXLQXOA-UHFFFAOYSA-N 334.400 5.289 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 95916028 RGNLLJBCTVOQQV-UHFFFAOYSA-N 327.210 5.891 0 40 EKAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 222860096 PCOKIYUUFSPALI-JXFKEZNVSA-N 339.479 5.019 0 40 EKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)C/C(=C/c3ccccc3)C[C@H]12 254840893 PSUFVZFXGOVTOA-BQTSNYEESA-N 348.574 7.503 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OCC 334138324 SSQPWTVBQMWLSZ-KXFWTKQGSA-N 330.512 6.471 0 40 EKAB O=C(O)CCCCCCCCCCc1ccc(Cl)c(Cl)c1 604220547 NTSLWVHWVFVCPF-UHFFFAOYSA-N 331.283 6.131 0 40 EKAB CC(C)(C)c1ccc2c(c1)CN(c1ccc(Br)cc1)CO2 2407402 OVCFQZHHYOGWTB-UHFFFAOYSA-N 346.268 5.103 0 40 EKAB Cc1ccc(-c2nnc(NCc3ccco3)c3ccccc23)cc1C 3209186 FLFQXLMUPWSXPA-UHFFFAOYSA-N 329.403 5.119 0 40 EKAB Fc1ccc(-c2csc3ncnc(NC4CCCCCC4)c23)cc1 3325604 ZEXHCEBPBPTFFU-UHFFFAOYSA-N 341.455 5.632 0 40 EKAB Fc1ccccc1NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 3425642 LXLDLYPMJKWTSZ-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB Cc1ccc(C(c2ccc(Br)cc2)c2ccc(C)o2)o1 3846756 OPKLDYDOSFGXEK-UHFFFAOYSA-N 331.209 5.432 0 40 EKAB biogenic CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCCCC(=O)O 5510380 TWSWSIQAPQLDBP-BJCBFJDFSA-N 332.528 6.997 0 40 EKAB in-vitro CCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1OCC 6204691 IPRQGAXDCDZDSA-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB COc1ccc2ccccc2c1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 8534847 WGFPWWVTDPCEFA-NXTQRVMMSA-N 349.518 5.543 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708568 MSWDOFBMHMVYMM-KRWDZBQOSA-N 347.458 5.678 0 40 EKAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1 20457027 BZSQHMMNJIDTGB-VQIMIIECSA-N 327.493 5.052 0 40 EKAB CCc1cccc2c(C3=CCN(C(=O)Nc4ccccc4)CC3)c[nH]c12 24691550 RNXCFUOHKQXCJA-UHFFFAOYSA-N 345.446 5.052 0 40 EKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 30854331 LNZBHJLQQARQHM-KRWDZBQOSA-N 345.442 5.243 0 40 EKAB Cc1cc(C)cc(NCC(=O)Nc2ccccc2-c2ccccc2)c1 32679635 PCCOLMQREWULAK-UHFFFAOYSA-N 330.431 5.021 0 40 EKAB CC[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 38755678 QJRGWOHLIXOSEA-HZBHDWBUSA-N 335.491 5.573 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)c1 44900356 SGUUGHWHKFLRCG-ROUUACIJSA-N 347.458 5.101 0 40 EKAB CSc1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 71761375 ZMJHTSLQOHTXMM-UHFFFAOYSA-N 342.411 5.236 0 40 EKAB Cc1ccc(C(=O)C[C@H](SCc2ccco2)c2cccs2)cc1 86141 AYBIGZADJWYZJH-IBGZPJMESA-N 342.485 5.897 0 40 EKAB Cc1cc(C)c(NC(=O)C2c3ccccc3Oc3ccccc32)c(C)c1 204912 VWNUUQCPQNCQGK-UHFFFAOYSA-N 343.426 5.488 0 40 EKAB Cc1nn(-c2ccccc2)c(Cl)c1CNc1ccc(Cl)cc1 381099 WRKWXXSTVOGHQK-UHFFFAOYSA-N 332.234 5.100 0 40 EKAB Cc1nc(-c2ccccc2)sc1-c1csc(Nc2ccccc2)n1 387590 YMYLIKAIRLAKTP-UHFFFAOYSA-N 349.484 5.986 0 40 EKAB O=C(c1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 573688 ACHGKLWLZCRECH-UHFFFAOYSA-N 345.829 5.574 0 40 EKAB Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 2147561 LHMNMIWURTYMBB-UHFFFAOYSA-N 346.492 5.184 0 40 EKAB CC(C)Oc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2268286 JFSOZAYHSWZBPD-UHFFFAOYSA-N 333.218 5.391 0 40 EKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 3514855 VZUPWNDNOLMQEY-SECBINFHSA-N 344.625 5.053 0 40 EKAB Fc1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 4137800 JPNMIIZJTKDZJD-UHFFFAOYSA-N 337.351 5.067 0 40 EKAB aggregator Cc1ccc(NC(=O)Nc2cccc(Cl)c2)c(Br)c1 5541976 SYQWLXWAGZAKED-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB CSc1ccc(/C=C/c2nc(-c3ccc(Cl)cc3)cs2)cc1 6584925 MTARXTBOSMMBIM-NYYWCZLTSA-N 343.904 6.356 0 40 EKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(Cl)c1 13708452 YCHMESQJHKZLDB-GFCCVEGCSA-N 343.785 5.038 0 40 EKAB Cc1c(Cl)cccc1-c1ccc(CNCCc2ccccc2)o1 22076815 FMVIOPJDDCOOFP-UHFFFAOYSA-N 325.839 5.241 0 40 EKAB CC(C)(C)c1cc(-c2ccccc2)c2cc(Br)ccc2n1 32616731 CZGBCMBHPDLCKS-UHFFFAOYSA-N 340.264 5.962 0 40 EKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)c(C)s2)cc1 36627023 GCKTWUDBHVBZMD-UHFFFAOYSA-N 336.460 5.296 0 40 EKAB O=C(Nc1ccccc1)/C(=C/c1ccccc1)c1ccc(Cl)cc1 40159893 BIABPIGZTDECOL-HMMYKYKNSA-N 333.818 5.519 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)ccc1Cl 64982235 CPNDSRKJVJYTAO-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB CCCC[C@H](C(=O)OC)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223225885 VMNZEQPDZSVZQJ-QGZVFWFLSA-N 335.875 5.074 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1c(F)cccc1F 225660053 OBMXGJFBTUCAKY-ZDUSSCGKSA-N 348.462 5.008 0 40 EKAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225818160 RMPXSKNXCXBVBP-NRFANRHFSA-N 343.467 5.018 0 40 EKAB O=C(Nc1ccc(Cl)cc1)C1=C(Nc2ccccc2)CCCC1 255187455 DQWZUXQTBQVNQE-UHFFFAOYSA-N 326.827 5.219 0 40 EKAB Cc1ccccc1CNC(=S)c1ccc(OCc2ccccc2)cc1 408571456 BSCXQNDLFAVOIJ-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 288363 DVLULTVTQYZOOZ-UHFFFAOYSA-N 328.626 5.516 0 40 EKAB COc1ccc2nc(-c3ccc(C)cc3)nc(Cc3ccccc3)c2c1 2709046 QVOQNBJIGHGKFV-UHFFFAOYSA-N 340.426 5.205 0 40 EKAB COc1ccc(-c2cc3nc(C)cc(-c4ccc(Cl)cc4)n3n2)cc1 4739978 WHBBMIOOFBDMNM-UHFFFAOYSA-N 349.821 5.034 0 40 EKAB Cc1ccccc1-n1c(SC(C)C)nnc1-c1ccc(Cl)cc1 6334733 IMBVAWBMMXMDQM-UHFFFAOYSA-N 343.883 5.397 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 6654174 FFUQZAOZLQSAKZ-INIZCTEOSA-N 327.493 5.457 0 40 EKAB Cc1nc2ccccn2c1-c1nc(-c2ccc(Cl)cc2)cs1 12624277 HDPKTXVBMCZGGN-UHFFFAOYSA-N 325.824 5.087 0 40 EKAB CCCCOc1ccc(Br)cc1-c1nc2ccccc2[nH]1 39206021 SKIPEXIATADEJM-UHFFFAOYSA-N 345.240 5.171 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(F)(F)F 51354226 GNDQBNZLGJXPIA-UHFFFAOYSA-N 349.139 5.656 0 40 EKAB Fc1cc(F)c2nccc(Nc3ccc(Br)cc3)c2c1 54202448 HKTOXYSVEOMBSA-UHFFFAOYSA-N 335.151 5.019 0 40 EKAB CC(C)Oc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 59119191 WTHVZMUREWDGTR-UHFFFAOYSA-N 337.444 5.455 0 40 EKAB O=C(Nc1ccnn1C1CCCC1)c1sc2ccccc2c1Cl 69209917 VCTCDQQMRCUGED-UHFFFAOYSA-N 345.855 5.119 0 40 EKAB c1cc2c3c(cccc3c1)[C@@H]1C[C@H]3c4cccc5cccc(c45)[C@H]3C[C@H]21 71784950 UFWHXJPHNAASJP-WAPCQROESA-N 332.446 6.849 0 40 EKAB Fc1ccc(C2=C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 100687855 DMXPWOFMUHNOQE-NRFANRHFSA-N 341.389 5.231 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc(Cl)c(F)c2)C1 103242794 LVMBYJYRMCQYMJ-YVEFUNNKSA-N 340.895 5.077 0 40 EKAB C[C@H]1CCC[C@@H](C)N1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 216841889 OXQIOKVGJVBTHD-GASCZTMLSA-N 338.426 5.397 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccccc1 222904297 QSGJIRRGJWAQLF-UZLBHIALSA-N 339.479 5.019 0 40 EKAB CCCC[C@H](CC)CNC(=O)c1cccc(OCc2ccccc2)c1 224270259 NEUACTNUDQYWDJ-SFHVURJKSA-N 339.479 5.212 0 40 EKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 225733667 JJOGVUWESPFQHM-NRFANRHFSA-N 347.499 5.178 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C=C\[C@H](O)C/C=C/CCC(=O)O 256110941 OZXAIGIRPOOJTI-VYIURRLGSA-N 344.495 5.520 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 36348 ONAFOBKUSMYFFG-RNCFNFMXSA-N 332.658 5.178 0 40 EKAB C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O)c2C1 3885950 ATJAFMBXOWIHEQ-BXWAGETQSA-N 329.399 5.056 0 40 EKAB Cc1ccc(C)c(-c2nc(Nc3ccc(C(=O)O)cc3)sc2C)c1 4639083 UWQYODLWGCRNCI-UHFFFAOYSA-N 338.432 5.177 0 40 EKAB CC(C)(C)c1ccc(C(=O)n2c3c(c4ccccc42)CCCC3)cc1 5642387 AJTDYWWNMIKTFZ-UHFFFAOYSA-N 331.459 5.506 0 40 EKAB O=C(CNc1ccc2ccccc2c1)Nc1ccc(Cl)cc1Cl 5687583 UVUKNLLYIORBIR-UHFFFAOYSA-N 345.229 5.197 0 40 EKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C1CCCC1 6330303 NWWWGIKMWLSJPV-UHFFFAOYSA-N 341.263 5.246 0 40 EKAB CCCCCn1cnnc1SCc1c(Cl)cccc1Cl 6587560 BSXSHRNRLDIREY-UHFFFAOYSA-N 330.284 5.067 0 40 EKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 8906373 JPKKVEXRBSZLOE-GOSISDBHSA-N 345.442 5.376 0 40 EKAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(C(C)(C)C)cc1 10434194 PJQSDOKHLADLAN-GOSISDBHSA-N 337.507 5.054 0 40 EKAB CCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 13786151 RKZSQNOKCHOSKB-VZCXRCSSSA-N 326.440 5.388 0 40 EKAB C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc2ccccc2c1 14109572 BCGQOCXTBBNLGA-LLVKDONJSA-N 345.229 5.033 0 40 EKAB Cc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1C 17196265 USDBOVXESOROLG-UHFFFAOYSA-N 341.414 5.363 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736505 BBGWAMHDEUETSF-UHFFFAOYSA-N 346.858 5.134 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2ccccc2c1 20111543 GWNOHVIDYHOMFF-NRFANRHFSA-N 333.431 5.253 0 40 EKAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc2ccccc2c1 32908353 QCYOOUMIKYXXQH-UHFFFAOYSA-N 343.348 5.131 0 40 EKAB CC(C)(C)Sc1ncccc1[C@H]1CCCCN1Cc1ccccc1 72217448 VZWZMMIZKJYAJU-LJQANCHMSA-N 340.536 5.699 0 40 EKAB COc1ccc(NCc2ccccc2OCc2ccc(C)cc2)cc1 106974743 BGEWMABNWSQQDB-UHFFFAOYSA-N 333.431 5.195 0 40 EKAB Cc1ccc(C)c(-c2csc(Nc3ccc(C)c(Cl)c3)n2)c1 62138 AGHCKTMSPAYURF-UHFFFAOYSA-N 328.868 6.132 0 40 EKAB CCN[P@](=O)(OC)SCc1c(Cl)sc2ccccc12 162024 YQKIVTWPBIQXRM-KRWDZBQOSA-N 335.818 5.152 0 40 EKAB Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc2ccccc12 219228 NAPQQDYOKARIPV-UHFFFAOYSA-N 327.383 5.661 0 40 EKAB Cc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccc(F)cc12 538816 WISWHJHKWUSMHM-UHFFFAOYSA-N 334.346 5.142 0 40 EKAB biogenic CSc1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 563001 AJNHYOLNZBCERK-VQHVLOKHSA-N 338.259 5.367 0 40 EKAB Clc1ccc(Sc2nccc(-c3ccc(Cl)cc3)n2)cc1 1402083 QNLFYHKGSRZASO-UHFFFAOYSA-N 333.243 5.602 0 40 EKAB CCN(CC)C[C@H](C)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698643 AWRHCRZHVXPVOG-JXFKEZNVSA-N 337.935 5.086 0 40 EKAB Clc1cc(/C=C/c2ccsc2Br)c(Cl)s1 2172869 AAFDENBEDBJSJE-OWOJBTEDSA-N 340.094 6.049 0 40 EKAB O=C(CCc1ccc(Cl)cc1)c1ccc(Br)cc1F 2517298 AYOVSLWXJBJHEG-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 3059044 UAECQPQFLBXOOB-OAHLLOKOSA-N 335.834 5.498 0 40 EKAB Cc1ccccc1N(C(=O)c1ccccc1)c1nc2ccccc2s1 3230750 PZEGPTQWABQWSF-UHFFFAOYSA-N 344.439 5.583 0 40 EKAB CCN(CC)CCCCCCOc1ccc(Cl)c2ccccc12 3310492 ZSPCFWGEZDUFEP-UHFFFAOYSA-N 333.903 5.774 0 40 EKAB Cc1cc(/C=C2\Sc3ccccc3C2=O)c(C)n1-c1ccccc1 5739767 RKUFUOBJPYGHJM-MOSHPQCFSA-N 331.440 5.424 0 40 EKAB Cc1csc(N(C(=O)c2ccc(Cl)cc2)c2ccccc2)n1 6787693 HBASCZOKIUAVSU-UHFFFAOYSA-N 328.824 5.083 0 40 EKAB CCn1c2ccccc2c2cc(-c3nc4ccccc4s3)ccc21 6947818 HGVWMQMVHVJTGC-UHFFFAOYSA-N 328.440 6.091 0 40 EKAB CCc1ccc2c(CC(=O)Nc3cc(Cl)cc(Cl)c3)coc2c1 7814084 NAPAOMXMQVSMOH-UHFFFAOYSA-N 348.229 5.483 0 40 EKAB CCCOc1ccc(NC(=O)Nc2ccccc2F)cc1OCCC 9218345 RPTXOIKVVJOQLN-UHFFFAOYSA-N 346.402 5.047 0 40 EKAB CC(C)(C)c1ccc(-c2cn(-c3ccccc3)c3[n+]2CCCS3)cc1 12574892 HNICAMPPRWITCR-UHFFFAOYSA-N 349.523 5.225 0 40 EKAB Brc1cccc2cc(C=NNc3ccccc3)ccc12 13404341 CTIGYEJQXCSSSD-UHFFFAOYSA-N 325.209 5.048 0 40 EKAB biogenic O=C(NCc1cccc2ccccc12)Nc1cccc2ccccc12 16526295 YPCUIBPOJGMHBG-UHFFFAOYSA-N 326.399 5.315 0 40 EKAB c1ccc(CCCNc2ccc(OCCC3CCCCC3)cc2)cc1 19738561 IWSUAVDYSVRDEI-UHFFFAOYSA-N 337.507 6.081 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc2ccccc12 20489212 RHNXXJSADZYUNC-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CCC[C@H]12 21991912 MVFRQMVXJZISHF-YXIAPDDASA-N 328.496 5.347 0 40 EKAB Cc1ccccc1-c1noc(CNc2ccc(-c3ccccc3)cc2)n1 58356913 LEIGLINDQXBYDH-UHFFFAOYSA-N 341.414 5.324 0 40 EKAB CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccccc1C(F)(F)F 97165456 SEAXBQBRIBBXFM-KRWDZBQOSA-N 347.380 5.323 0 40 EKAB CC1(C)c2ccccc2-c2ccc(-c3cccc(Br)c3)cc21 202178981 DOCPABXUROJRDW-UHFFFAOYSA-N 349.271 6.422 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3c(F)cccc3F)CCCC2)cc1 225860114 VOHJDLMCRACRMV-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB CC(C)(C)c1ccc([C@H](O)c2ccc3c(c2)oc2ccccc23)cc1 226296373 UQTNFMJCMSLRQE-QFIPXVFZSA-N 330.427 5.965 0 40 EKAB O=C(Nc1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 408976969 HHPKGAVTTXYYPH-UHFFFAOYSA-N 333.362 5.187 0 40 EKAB c1ccc(-c2nc(Oc3cccc4ccccc34)c3ccccc3n2)nc1 520917 XXDWGIYJUQESPI-UHFFFAOYSA-N 349.393 5.637 0 40 EKAB C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)o1 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WYXLHJNYQBRALN-IXEBNVAOSA-N 344.539 5.907 0 40 EKAB Cc1cccc(CNC(=S)c2cccc(OCc3ccccc3)c2)c1 408572585 KQLGIWYGGMNJKB-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB COc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1 131747 XPWOLFYUTFZMDT-UHFFFAOYSA-N 333.416 5.111 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 484806 HWIUDAPGJGSFRL-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB O=C(c1cn(Cc2ccc(F)cc2)c2ccccc12)C1CCCCC1 561033 ZWSSWMBRNJBZOF-UHFFFAOYSA-N 335.422 5.592 0 40 EKAB CSc1ccccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 1397870 SHRIWOKJRAZPAH-UHFFFAOYSA-N 337.231 5.432 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1 2749072 FYICAXRDIGRULK-XZHRJIJLSA-N 331.818 5.645 0 40 EKAB Cc1ccc(Sc2nc3ccccc3cc2-c2ccccc2)cc1 3049370 DVAUKGBAYWWAFV-UHFFFAOYSA-N 327.452 6.361 0 40 EKAB Cc1c(Cl)cccc1-c1ccc(CNCc2ccccc2Cl)o1 7538869 YOWCGNOTDMHVJO-UHFFFAOYSA-N 346.257 5.852 0 40 EKAB Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 7846946 GAIASYNMSBOFRL-UHFFFAOYSA-N 330.818 5.804 0 40 EKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(C)cccc1C(C)C 8041262 VJTVCOODPRSEAE-QGZVFWFLSA-N 329.415 5.054 0 40 EKAB CSc1ccc(NC(=O)c2sc3cccc(F)c3c2C)cc1 9335729 VNMARHVGMYYLFZ-UHFFFAOYSA-N 331.437 5.323 0 40 EKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc2ccccc12 9971511 UKGFBMHAAIQJJS-UHFFFAOYSA-N 337.422 5.688 0 40 EKAB CCCCCCOc1ccccc1CNc1ccccc1OC(C)C 19737483 KOJMUENIBIZJRF-UHFFFAOYSA-N 341.495 6.045 0 40 EKAB c1cnc2c(CN3CCC[C@@H]3c3nc4ccccc4s3)cccc2c1 57856137 WMTHLLMSQTWKOI-GOSISDBHSA-N 345.471 5.182 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC)c1ccccc1 59351721 YKZWIDFKDRLUQT-RTWAWAEBSA-N 347.458 5.265 0 40 EKAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCc1cscn1 78604292 FSFPAAVZTBNOOR-SNVBAGLBSA-N 349.912 5.079 0 40 EKAB Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)c2ccccc2)c1 90421061 CYJIBRVUXPTITB-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(CC)cc1 409110972 ALLXUDIXZKPRQA-UHFFFAOYSA-N 338.278 5.957 0 40 EKAB CCCN1C(=O)S/C(=C/c2cn([C@H](C)CC)c3ccccc23)C1=O 409232856 BWGFEQCXTBZYFZ-VVBXCHJUSA-N 342.464 5.059 0 40 EKAB CCCCC[C@H](CN(C)C)C(=O)C[C@H](SCC)c1ccccc1 1573424 OEIWDVKEOZSUBI-QUCCMNQESA-N 335.557 5.198 0 40 EKAB CCCCN[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 1664845 QNOWTNZTIJIKSZ-QZTJIDSGSA-N 338.278 5.158 0 40 EKAB CCN(CC)CCCCCCNc1cc(Cl)cc2cccnc12 1683230 DRBGIPKJEWPEEZ-UHFFFAOYSA-N 333.907 5.202 0 40 EKAB CCn1c(SCc2ccccc2C)nnc1-c1ccccc1Cl 2452688 JVNGMUWDYQTSHP-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB Cc1sc(N2CCCCC2)nc1-c1ccc(C(C)C)cc1C(C)C 2650019 NWSIPHNPXDPFEP-UHFFFAOYSA-N 342.552 6.356 0 40 EKAB c1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1 4419173 OMQWSQHLRZDKBG-UHFFFAOYSA-N 327.452 5.990 0 40 EKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1sc2ccccc2c1Cl 5024450 LWKKWXRHFRIRNF-UHFFFAOYSA-N 345.895 5.253 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3Cl)o2)cc1 5033098 GPEIJXXNYMOACH-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB Cc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 5460555 JODARZCEMDAPQP-UNMCSNQZSA-N 339.442 5.491 0 40 EKAB Cc1cccc(Oc2ccccc2NC(=O)Cc2ccc(C)c(C)c2)c1 5937168 WLAWKVSFLAWTFH-UHFFFAOYSA-N 345.442 5.585 0 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O=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)oc1ccccc12 225149560 GTIFEPHCVVJMLP-UHFFFAOYSA-N 333.362 5.296 0 40 EKAB CC(C)C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccccc1 225491808 NDTCVWJPIVVBAJ-QGZVFWFLSA-N 332.900 5.414 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225658031 QBUDGNDTFZPINP-KRWDZBQOSA-N 340.536 5.346 0 40 EKAB CCCO[C@](C)(CCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225740768 JTJDKYXJMHHJEC-OAQYLSRUSA-N 349.515 5.262 0 40 EKAB CCOc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 417859 XTXWNFCHAUYINM-UHFFFAOYSA-N 335.451 5.145 0 40 EKAB Cc1ccc(OCc2nc3ccccc3n2Cc2ccccc2F)cc1 572460 ILJDYSOYFIGXDJ-UHFFFAOYSA-N 346.405 5.111 0 40 EKAB Cc1c(C(=O)Oc2ccc(-c3ccccc3)cc2)oc2ccccc12 2061957 DVYDMSCHJCMOBT-UHFFFAOYSA-N 328.367 5.627 0 40 EKAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1Cl 2514529 GSWFSJKTUCQXDL-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB CCN(CC)c1ccc(C(=O)OCc2cccc3ccccc23)cc1 2656736 OYMMDWMGHMONOL-UHFFFAOYSA-N 333.431 5.043 0 40 EKAB Fc1ccccc1CSc1nnc(-c2ccccc2)c2ccccc12 3433972 FVNSJJGAAHQFAF-UHFFFAOYSA-N 346.430 5.728 0 40 EKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(F)cc1F 5676280 RPYNXYDBGMNFAT-UHFFFAOYSA-N 337.325 5.045 0 40 EKAB Cc1ccc(CSCC(=O)Nc2c(C)cccc2C(C)C)cc1 6476534 HDZSIPCEWBQXPL-UHFFFAOYSA-N 327.493 5.299 0 40 EKAB O=C(Nc1ccccc1F)Nc1cc(C(F)(F)F)ccc1Cl 6938513 PMNMRGNVKVIYAD-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB O=C(O)Cc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1 7847237 MHFRKLRDQBXFKB-UHFFFAOYSA-N 339.394 5.196 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1C 22515546 ZBNMOXCMRJSRHB-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB Cc1nc(C)c(C(=O)Nc2ccccc2Sc2ccccc2)s1 25514732 FQLBPIGBKNKYQM-UHFFFAOYSA-N 340.473 5.163 0 40 EKAB Clc1cccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)c1 35167670 ZGLXBGHTECPOJY-BUHFOSPRSA-N 344.845 5.908 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 38752175 YZSQNCPCIHWCHS-LEWJYISDSA-N 339.479 5.056 0 40 EKAB CC(C)c1ccc(NC(=O)N(C)Cc2ccc(O)cc2)c(C(C)C)c1 48361951 OVDNDNKQJNYHCY-UHFFFAOYSA-N 340.467 5.303 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1C 223502884 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C(=C/c1cc(-c2ccccc2)nc(-c2ccccc2)n1)\c1ccccc1 4154594 PVIBPLCGUBSPDX-WUKNDPDISA-N 334.422 5.981 0 40 EKAB Fc1ccc(CSc2ccc(-c3ccc(Cl)cc3)nn2)cc1 4355491 ITSGIFDNWWWOBS-UHFFFAOYSA-N 330.815 5.228 0 40 EKAB Cc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1 4734010 ZNNOBPRLHARMGT-UHFFFAOYSA-N 334.810 5.102 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)C3CCCCC3)n2)c(C)c1 6607468 RETAPRLUYFSOOS-UHFFFAOYSA-N 328.481 5.254 0 40 EKAB Oc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 8436457 UHXXCROXERYSOW-LJQANCHMSA-N 337.469 5.812 0 40 EKAB C[C@H]1Cc2cc(CNc3ccc(Oc4ccccc4)cc3)ccc2O1 10299513 RUSSVFQTUDLFJC-INIZCTEOSA-N 331.415 5.414 0 40 EKAB Cc1cccc(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 12915931 FEOATRBMCSRJDQ-OAHLLOKOSA-N 332.856 5.007 0 40 EKAB C[C@@H]1Cc2ccccc2N1C(=O)/C(=C/c1ccccc1)c1ccccc1 13596423 RQRFAWVXOYJOMW-YMNYDYPGSA-N 339.438 5.205 0 40 EKAB C[C@H](NC(=O)CSCc1ccccc1)c1ccc(C(C)(C)C)cc1 13647502 HTNYHUKQDLDZFT-INIZCTEOSA-N 341.520 5.095 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc(C)c1Cl 14396193 XZKYKLFPSYFKGT-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CCCCCCOc1ccccc1CNCc1ccccc1Cl 19737612 NHAXCTLIADKTNO-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB CC[C@H](C)c1ccccc1O[C@@H](C)CNc1ccccc1C(C)C 19738332 RNQMXCHCUOTDIA-ROUUACIJSA-N 325.496 6.203 0 40 EKAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72214247 OVMFKOFDIJBIFW-QFIPXVFZSA-N 343.474 5.187 0 40 EKAB C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 72312286 QRMQVLLKWRLZOC-GFCCVEGCSA-N 346.261 5.234 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344081 WFECUUYAFHHZOE-HUUCEWRRSA-N 340.637 5.389 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2c(C)cccc2C)c1 225679395 QWBTVYFAASFBFC-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB O[C@H](c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1Cl 226296791 SZMLNTRXOCPKTL-HXUWFJFHSA-N 341.237 5.646 0 40 EKAB O=C(NCc1ccccc1)c1ccc(-c2c(Cl)cccc2Cl)o1 575444398 QSVZWJZXARTFPB-UHFFFAOYSA-N 346.213 5.183 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 253653 UJEKRKVGVQAVDM-KBPBESRZSA-N 331.843 5.260 0 40 EKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C 365099 ILQTZWVRLIWGHC-KRWDZBQOSA-N 339.479 5.648 0 40 EKAB CCC(=O)N1c2c(C)cccc2-c2c(ssc2=S)C1(C)C 495639 VVLQJGYQTHNZIN-UHFFFAOYSA-N 335.519 5.506 0 40 EKAB CC(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 572455 VGDYTWWEHQQYSS-UHFFFAOYSA-N 336.479 5.569 0 40 EKAB Cc1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 2591022 GPVSZOMDYRDHHS-UHFFFAOYSA-N 339.331 5.673 0 40 EKAB CCCC1CCC(c2ccc(-c3noc(-c4cccnc4)n3)cc2)CC1 2992962 LISLXGLPQNCNFL-UHFFFAOYSA-N 347.462 5.873 0 40 EKAB Brc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1 5604128 MNUZKMAIKKBYQR-UHFFFAOYSA-N 341.204 6.034 0 40 EKAB OC1=N[C@@H](c2cccc(Cl)c2)Nc2scc(-c3ccccc3)c21 6535665 SGSHYWQOUPUMQH-MRXNPFEDSA-N 340.835 5.497 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 10371274 DLQWUCYMVZMIFB-UHFFFAOYSA-N 341.760 5.239 0 40 EKAB C[C@H](NC(=O)CCSc1ccccc1)c1ccc(C(C)(C)C)cc1 13670463 CNMGGRYHEDRCHQ-INIZCTEOSA-N 341.520 5.344 0 40 EKAB Cc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 13841049 ALSYFPLUNYXNLX-UHFFFAOYSA-N 326.509 6.051 0 40 EKAB CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 14255797 SBZBGUPAKXMMHC-OAHLLOKOSA-N 331.481 5.124 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Cl)cc1 17154560 ULBOLCQGWOJJDX-UHFFFAOYSA-N 325.795 5.144 0 40 EKAB Clc1ccc(OCc2ccccc2)c(CNCc2ccccc2)c1 20522720 YVUBUMMGJGEFET-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 22517702 NTUCOTPRFCVALK-OAQYLSRUSA-N 333.431 5.198 0 40 EKAB Cc1nn2c(-c3ccc4ccccc4c3)ccnc2c1-c1ccccc1 22607298 NWLQUPBTDTTWEV-UHFFFAOYSA-N 335.410 5.525 0 40 EKAB C[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1 26307411 GXBBHVCKHVYLCA-ZDUSSCGKSA-N 346.261 5.030 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)cc1 27584545 GBEBLNVLBWGRSV-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB Cc1cc([C@H](C)NC(=O)N[C@H](C)c2cc(C)sc2C)c(C)s1 31662774 WWHIJTPNMAJRHA-TXEJJXNPSA-N 336.526 5.165 0 40 EKAB CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(F)cc1 117085 QJUIXSAMOIEGJV-UHFFFAOYSA-N 338.426 5.622 0 40 EKAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 250217 PTWFQLUPPGIDEL-UHFFFAOYSA-N 338.410 5.463 0 40 EKAB Cc1cccc2nc(-c3ccc(Cl)cc3)c(NCCC(C)C)n12 417139 VGJWUFJOPHFMFK-UHFFFAOYSA-N 327.859 5.421 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(F)cc1)c1ccncc1 1014196 LRZYMQHTOZVUQF-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB C[C@@](O)(c1ccc2ccccc2c1)[C@H](c1ccccc1)c1ccccn1 1668782 VPKHAMVDQIMTFS-DNQXCXABSA-N 339.438 5.274 0 40 EKAB O=C(CCc1cccc(Cl)c1)c1ccc(Br)c(F)c1 2517239 SHLIEOJXASGRTR-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccccc1Cl 2576886 JBSCMIAEEWZQBR-UHFFFAOYSA-N 348.785 5.486 0 40 EKAB biogenic Cc1ccc2c(c1)Cc1c(S)nc(-c3cccc(Cl)c3)nc1O2 2691566 KVKJLRYIAKKTNV-UHFFFAOYSA-N 340.835 5.091 0 40 EKAB Cc1ccc2nc(-c3ccc(NC(=O)CC(C)(C)C)cc3)sc2c1 4524770 GTGKEUSKUKJSAK-UHFFFAOYSA-N 338.476 5.646 0 40 EKAB CC(C)=CCOc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586259 PBYMRHWKAURWGU-UHFFFAOYSA-N 346.382 5.551 0 40 EKAB biogenic c1ccc([C@H]2Sc3sc4ccccc4[n+]3[C@@H]2c2ccccc2)cc1 4721278 NQXQWJMGTKGKEG-WOJBJXKFSA-N 346.500 5.625 0 40 EKAB Fc1ccccc1[C@H]1CC(c2cccs2)=Nc2ccccc2S1 6756859 HHHRWLQLBQPXRL-LJQANCHMSA-N 339.460 6.245 0 40 EKAB C[C@@H](O)c1ccc(-c2ccc(CNC(C)(C)CC(C)(C)C)o2)cc1 7541224 JXGCLOSWJXUOFN-OAHLLOKOSA-N 329.484 5.304 0 40 EKAB C(=C\c1ccc2ccc(/C=C/c3ccccc3)cc2c1)\c1ccccc1 8383839 BAXGJINOQBOMFG-HEEUSZRZSA-N 332.446 7.181 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1Cl 14013203 MKRKPKIZYPBZIM-INIZCTEOSA-N 338.234 5.098 0 40 EKAB c1ccc(C(CCNCc2cccc3[nH]ccc23)c2ccccc2)cc1 15423519 MIXVZHAUNCSXIF-UHFFFAOYSA-N 340.470 5.480 0 40 EKAB O=Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127210 YZLUZSQYPFVHRS-UHFFFAOYSA-N 326.566 5.268 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1C 44883446 LJUPHNOVOODXFR-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB CCN(C(=O)Nc1cccnc1Cl)[C@@H](C)c1cc2ccccc2o1 65820862 SOLWFDUGJHBZEJ-LBPRGKRZSA-N 343.814 5.096 0 40 EKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3cccc(C)c3)oc12 67339491 HTIHTWZBPASZEQ-VOTSOKGWSA-N 341.794 5.055 0 40 EKAB Clc1ccc(Cl)c(-c2csc(-c3cccnc3Cl)n2)c1 89262235 PCQOTWLTTVFARH-UHFFFAOYSA-N 341.650 5.832 0 40 EKAB Clc1cc(Cl)c2nc(Cl)c(Br)c(Cl)c2c1 95098208 HJLOIAKUWBOVFK-UHFFFAOYSA-N 345.838 5.611 0 40 EKAB CCCC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223225823 VMNZEQPDZSVZQJ-KRWDZBQOSA-N 335.875 5.074 0 40 EKAB C[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 225281549 FRMSJDPSGOWUQQ-HNNXBMFYSA-N 340.492 5.056 0 40 EKAB CC(C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1C(F)(F)F 225954783 LGIVIJVUSGAYTC-UHFFFAOYSA-N 329.362 5.011 0 40 EKAB Cc1ccc(/C=C/C(=O)Nc2ccccc2Sc2ccccc2)cc1 253461957 WMQVCOFODAAGIJ-FOCLMDBBSA-N 345.467 5.798 0 40 EKAB CSc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 408705828 OEFHOLFASFUDKR-ZDUSSCGKSA-N 349.883 5.085 0 40 EKAB Cc1nc(Oc2ccc(C)c(C)c2)c2c3c(sc2n1)C[C@@H](C)CC3 116728 GDEVCTZVGWRCBW-NSHDSACASA-N 338.476 5.534 0 40 EKAB O=C(c1ccc2ccccc2c1)N(Cc1ccccc1)Cc1ccco1 257146 BHRARSPSRLVXPV-UHFFFAOYSA-N 341.410 5.275 0 40 EKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1 369263 JHFSWZCYCWBYCT-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CCOc1cccc2cc(-c3cc(=O)oc4ccc(C(C)C)cc34)oc12 491127 XYNKPESGJIWXLR-UHFFFAOYSA-N 348.398 5.728 0 40 EKAB biogenic S=C(Nc1ccccc1)Nc1ccccc1Sc1ccccc1 562936 XINAPIUYUOLIEM-UHFFFAOYSA-N 336.485 5.647 0 40 EKAB Cc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c(C)c1Cl 1393895 TULXGIPZZTZQTR-UHFFFAOYSA-N 333.822 5.358 0 40 EKAB COc1c(C(C)(C)C)cc(C(C)(C)C)c(OC)c1Br 1570570 HSXBTRWAOQMEHZ-UHFFFAOYSA-N 329.278 5.061 0 40 EKAB COc1ccc(Nc2nc3c(s2)c(C)c(O)c2ccccc23)cc1 1586208 SRCIGCVICVKNFT-UHFFFAOYSA-N 336.416 5.216 0 40 EKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1C(C)C 2743304 UYUJRYGHAZCZDA-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB COc1ccc(C(=O)c2sc(Nc3ccccc3)c3c2CCC3)cc1 3226885 ASGLWTFAESALGM-UHFFFAOYSA-N 349.455 5.220 0 40 EKAB CCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc12 4188808 YVCDABVPLZMRPK-UHFFFAOYSA-N 339.822 5.430 0 40 EKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21 6965671 FSVGOGXKWGBDON-NPPFBWRTSA-N 347.458 5.643 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(OC)cc1 8085579 XZVYLWYXEMNNHX-LJQANCHMSA-N 342.508 5.256 0 40 EKAB O=C(c1ccc(-c2ccccc2F)o1)N1CC=C(c2ccccc2)CC1 12932807 KXBZQFLAGADEGP-UHFFFAOYSA-N 347.389 5.015 0 40 EKAB Cc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)s1 32860187 QKASJVGMFMPZRV-UHFFFAOYSA-N 340.473 5.196 0 40 EKAB CC(C)(C)[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 48332421 FDMVQKUDTWYMDJ-MRXNPFEDSA-N 335.369 5.223 0 40 EKAB CN(c1ccccc1)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72214188 GPVHZCGOHQCLTH-JOCHJYFZSA-N 343.474 5.187 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1c(C)cccc1C 113970363 UJZLLCPPQQPMNZ-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB Cc1cc(C)c2nc(-c3c(F)c(F)c(F)c(F)c3F)sc2c1 216749598 PWASIPUERSRJTM-UHFFFAOYSA-N 329.293 5.276 0 40 EKAB C[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc2c(c1)CCC2 223243657 ABPCHMRQOMLEDP-QGZVFWFLSA-N 343.470 5.139 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1C 223491190 KUAYMDLIFLAMJE-GOSISDBHSA-N 347.458 5.021 0 40 EKAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1 225661147 GJHKQFHJNSODGN-UTKZUKDTSA-N 347.499 5.180 0 40 EKAB Cc1sc(Nc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 307904838 VHGDPWGDFWZZIQ-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB O=C(CCC1CCCC1)c1ccc(Br)cc1C(F)(F)F 312251574 KJQOPGQRUFFVSF-UHFFFAOYSA-N 349.190 5.621 0 40 EKAB Cc1ccccc1[C@H](OCCN(C(C)C)C(C)C)c1ccccc1 971610 JPURAYRMIBQZRY-JOCHJYFZSA-N 325.496 5.220 0 40 EKAB c1ccc(-c2ncc(CSc3nc4ccccc4s3)s2)cc1 1253081 AQELYENEXDHYHU-UHFFFAOYSA-N 340.498 5.712 0 40 EKAB O=C(CSc1cccc2cccc(Cl)c12)Nc1ccccc1 3078643 QFQSQVVPWNSGHQ-UHFFFAOYSA-N 327.836 5.224 0 40 EKAB Fc1ccc2nc(Nc3ccc(Br)cc3F)sc2c1 4243167 MITZACCMTIEPTG-UHFFFAOYSA-N 341.180 5.081 0 40 EKAB Cc1csc(SCc2csc(-c3ccc(Cl)cc3)n2)n1 5938475 LYOTXBRCPLEQLX-UHFFFAOYSA-N 338.910 5.521 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1ccccc1OC(F)F 6509951 QRBBHGDACLCRCB-UHFFFAOYSA-N 339.341 5.207 0 40 EKAB Cc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 6923003 OFNRUHHHAGRNSY-UHFFFAOYSA-N 329.614 5.599 0 40 EKAB Brc1ccc(-c2ccc(CNC3CCCCC3)o2)cc1 7524882 VTAUFCATAKPTQV-UHFFFAOYSA-N 334.257 5.131 0 40 EKAB C[C@H](C(=O)Nc1ccccn1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419834 UADIELYLCDCCPT-LBPRGKRZSA-N 349.821 5.112 0 40 EKAB Cc1c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)oc2ccccc12 9512544 QJTFATUHVWXBPY-UHFFFAOYSA-N 347.336 5.032 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 13774797 XNFJDNOCWUZHQX-INIZCTEOSA-N 340.536 5.649 0 40 EKAB O=C(CCc1c[nH]c2ccccc12)Oc1ccc(Cl)cc1Cl 14471545 MFEDQSWWWGXWSX-UHFFFAOYSA-N 334.202 5.013 0 40 EKAB CSCc1c(C(=O)Nc2ccc(F)cc2Cl)oc2ccccc12 15009586 PKUBSUIFNWMEGR-UHFFFAOYSA-N 349.814 5.341 0 40 EKAB CCCCCCNC(=S)N(Cc1ccccc1)c1ccccc1 16638070 AQDJMESEIMDBPB-UHFFFAOYSA-N 326.509 5.148 0 40 EKAB CCCCCCc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 16638428 VJWSWIOPGJKWDH-UHFFFAOYSA-N 346.474 6.607 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)c(C)c1 20484943 VGDWSKZSYYIJNY-MSOLQXFVSA-N 347.458 5.101 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)NC2CCCCC2)cc1 20896908 IZWBXZSSVHMFLS-UHFFFAOYSA-N 328.481 5.105 0 40 EKAB CCCOc1ccc(CNc2ccc(Br)cc2C)cc1 21036451 HKQWPBYFEPCJNN-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB CSc1c(-c2ccccc2)c(-c2cccnc2)nn1-c1ccccc1 26897003 YAAVETJTIUTDFU-UHFFFAOYSA-N 343.455 5.323 0 40 EKAB CCCCc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 32999778 ZKWFXNIFTMCZEW-NTEUORMPSA-N 345.389 5.283 0 40 EKAB Cc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1C 67340022 XHHBCLRXZRPAKM-SOFGYWHQSA-N 325.795 5.355 0 40 EKAB Cc1nc2ccc(NC(=S)Nc3ccc4ccccc4c3)cc2s1 95949820 DVLSVXZMQXDFIQ-UHFFFAOYSA-N 349.484 5.567 0 40 EKAB CO[C@@](C)(c1ccccc1Cl)c1ccccc1Br 96171603 JOUFYYHWYPWHOS-OAHLLOKOSA-N 325.633 5.012 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 222987660 GHORUVZAOIPVAQ-UHFFFAOYSA-N 345.442 5.667 0 40 EKAB S=C(NCCCSC1CCCCC1)Nc1ccc(Cl)cc1 225589761 GWQLBODAKGLRBR-UHFFFAOYSA-N 342.961 5.082 0 40 EKAB CCCOc1c(C)cc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225718003 TUXMTPFGYUDQRD-QVKFZJNVSA-N 347.499 5.016 0 40 EKAB CCCC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260616300 HYZPUTAQQSWGNU-SJLPKXTDSA-N 331.500 5.127 0 40 EKAB Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 1306371 NUZCYXGMCPEHFY-KNQAVFIVSA-N 344.414 5.139 0 40 EKAB O=C(Nc1ccc(Cl)cc1)Oc1ccc(Nc2ccccc2)cc1 1739209 NWZHVTIYVACFAR-UHFFFAOYSA-N 338.794 5.695 0 40 EKAB O=C(c1cc(Cl)ccc1Cl)c1ccccc1CN1CCCCC1 2515528 HTGCTWAQPOJPHO-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB Clc1cc(Cl)cc(-c2ccc(Cl)c(Cl)c2Cl)c1 2521621 MPCDNZSLJWJDNW-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic,in-vitro c1ccc2c(c1)N=C1CCCC[C@]12c1ccc2c3c([nH]c2c1)CCCC3 3847291 HXEVLONMWJSBCZ-XMMPIXPASA-N 340.470 5.993 0 40 EKAB Fc1ccc(Sc2nc(-c3ccccc3)nc3ccsc23)cc1 5903099 QDBAIKQPVRCRDF-UHFFFAOYSA-N 338.432 5.649 0 40 EKAB CCCC[C@H](CC)CNC(=O)/C(=C/c1ccccc1)c1ccccc1 6264613 PYXSHVUFCZVLDB-WXNAFCGMSA-N 335.491 5.560 0 40 EKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(C(C)C)c1 8706829 NKYGNZYYGUABLI-UHFFFAOYSA-N 332.447 5.156 0 40 EKAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13774736 FKAMKONVXYGGFF-ZDUSSCGKSA-N 346.927 5.685 0 40 EKAB Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1 16750180 BEZFJDHVOLYTGY-UHFFFAOYSA-N 339.822 5.084 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)cc(C)cc1C 20044182 XJKRZHKJHJMTEH-SFHVURJKSA-N 325.452 5.025 0 40 EKAB Cc1ccccc1C(=O)N(Cc1cccs1)c1ccccc1Cl 27989676 ZBUCXEIBNHQMNE-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)ccc1Cl 64982320 VPYROCGWMMATMM-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1c1ccc(Cl)cc1 210202141 RBTBKHRLXNKGFQ-LHQXNBGVSA-N 341.819 5.137 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(C)C 222986048 ZASUGPGLNMXUEN-FQEVSTJZSA-N 325.452 5.223 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224133773 JAGICTJYNHXOOV-HNNXBMFYSA-N 345.398 5.300 0 40 EKAB CC(C)c1ccc(NC(=S)NCCCSCc2ccco2)cc1 225592751 ANMIDMJMISGUCS-UHFFFAOYSA-N 348.537 5.013 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)Cc1cccc(Br)c1 225615864 CBCCQMVDADLECG-UHFFFAOYSA-N 346.268 5.062 0 40 EKAB CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 408733958 TVAOSGCUOCTWCA-QFIPXVFZSA-N 342.442 5.329 0 40 EKAB Cc1sc2nc(-c3ccc(-c4ccc(F)cc4)o3)nc(O)c2c1C 408734187 FMZBQQKABSUSDF-UHFFFAOYSA-N 340.379 5.080 0 40 EKAB CC(C)c1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 408835261 WXSRXGSZSGXYCC-UHFFFAOYSA-N 329.827 5.065 0 40 EKAB Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 408995753 NEXVUNQFCKUPPX-OAHYMWEZSA-N 347.458 5.298 0 40 EKAB CCCC[C@@H](CC)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358194 MVSKPAGUHIEFAQ-MRXNPFEDSA-N 346.417 5.943 0 40 EKAB Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 72564 DGWIOROKAHRXAM-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2n1CCC2 99969 JMTLUZLFFASTST-UHFFFAOYSA-N 326.484 5.105 0 40 EKAB Cn1cc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c2ccccc21 416796 QHYAJKGNCYRJJR-UHFFFAOYSA-N 331.419 5.193 0 40 EKAB c1ccc(SCNc2ccc(CSc3ccccc3)cc2)cc1 1575405 MUADMOZNJPHSKA-UHFFFAOYSA-N 337.513 6.141 0 40 EKAB CCCC[C@@H](CC)C(=O)NCCC(c1ccccc1)c1ccccc1 4144130 YOBXNBWCORXMJJ-LJQANCHMSA-N 337.507 5.541 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 5185879 KQEYXLKVBSLDCN-UHFFFAOYSA-N 345.442 5.370 0 40 EKAB Cc1ccc(-c2csc(/C=C/c3ccc(C(F)(F)F)cc3)n2)cc1 6509103 HGBXONHJLHBDFL-IZZDOVSWSA-N 345.389 6.308 0 40 EKAB CCCCCNCc1cccc(OC)c1OCc1ccccc1Cl 7261348 JFTVAALAVQGRAN-UHFFFAOYSA-N 347.886 5.207 0 40 EKAB CC(C)Oc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 7344775 HRUCCKXCOQRTTC-UHFFFAOYSA-N 345.442 5.317 0 40 EKAB Oc1ccc(-c2nc(-c3ccc(Br)s3)cs2)cc1 16940651 VZUSGDGRHVDJDQ-UHFFFAOYSA-N 338.251 5.007 0 40 EKAB CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 20457494 NZOBUZDCMNUGGJ-QHCPKHFHSA-N 343.470 5.476 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)c(C)c1 20459722 RTPVWPXPHCYZGY-OAHLLOKOSA-N 347.911 5.067 0 40 EKAB c1ccc2c(CSCc3nc(-c4ccsc4)no3)cccc2c1 24978506 FZJJWXIFTPXBFM-UHFFFAOYSA-N 338.457 5.385 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 32999784 JHWWLLBSUUCNRU-AWEZNQCLSA-N 331.843 5.089 0 40 EKAB CN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 40096004 GYYWHAIVYUSPKY-UHFFFAOYSA-N 342.748 5.023 0 40 EKAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(Cl)cc1Cl 49543960 PQNDPBTXWUVCIA-LLVKDONJSA-N 338.238 5.069 0 40 EKAB COc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1OC 57352451 DDVSDKQNMZSIOS-UHFFFAOYSA-N 345.398 5.103 0 40 EKAB Cc1cc(CNC(=O)c2oc3ccccc3c2C)c2[nH]c(C)c(C)c2c1 65726268 AKYWLAJYIAXXAL-UHFFFAOYSA-N 346.430 5.078 0 40 EKAB COc1ccc2cc(C(=O)c3ccc(Cl)cc3Cl)ccc2c1 95917096 WDMXDMXRXJCUQM-UHFFFAOYSA-N 331.198 5.386 0 40 EKAB COc1cc([C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(=O)Nc1ccccc1 102772338 BEGPRXZENQASEA-MPGHIAIKSA-N 337.419 5.210 0 40 EKAB CC(C)COc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 149373903 JYBMZIPKAGABHG-IIZPIQPGSA-N 326.480 5.147 0 40 EKAB CCCCc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 222559077 LLBNXQGIJBMMBZ-UHFFFAOYSA-N 345.446 5.047 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1C 223499133 JULODWPKQCDJOQ-LJQANCHMSA-N 335.491 5.301 0 40 EKAB CCN(CC)c1ccc(NC(=O)c2ccc(C)cc2Cl)c(C)c1 568420 CVKFQSUMZOHIIA-UHFFFAOYSA-N 330.859 5.055 0 40 EKAB CCCCN(CCC=C1c2ccccc2Oc2ccccc21)CCCC 1593770 BQRCKQRIGWDNPX-UHFFFAOYSA-N 349.518 6.516 0 40 EKAB Cc1c2ccccc2n2cc(-c3ccccc3)nc(-c3ccccc3)c12 2397291 BAMCNYDXDLZZOU-UHFFFAOYSA-N 334.422 6.130 0 40 EKAB Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1 2521631 PIVBPZFQXKMHBD-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB Oc1ccccc1Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 2708890 HLRQIODGPLVJDH-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB Clc1ccc(SCCOc2ccc(Cl)cc2Cl)cc1 3470163 YYFQSQLIKPHDLA-UHFFFAOYSA-N 333.667 5.818 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 4073846 JNABCHQTKFQDJL-NKIYZRJISA-N 340.507 5.136 0 40 EKAB biogenic O=c1cc(/C=C/c2ccccc2)nc(-c2ccc(Cl)cc2Cl)o1 4811924 NGCGDDMKOAIQCC-SOFGYWHQSA-N 344.197 5.179 0 40 EKAB Fc1ccc(-c2csc(/C=C/c3ccccc3C(F)(F)F)n2)cc1 6080384 LOEDWOBWZWTMCR-JXMROGBWSA-N 349.352 6.138 0 40 EKAB Clc1ccc(CNCCCn2ccc3ccccc32)cc1Cl 6508866 QILJIZRKQVPGHZ-UHFFFAOYSA-N 333.262 5.128 0 40 EKAB S=C(Nc1cc(Cl)cc(Cl)c1)SCc1ccccc1 6575154 NKJREIVPIUWPBQ-UHFFFAOYSA-N 328.289 5.624 0 40 EKAB Clc1cccc(-c2ccc(CNCc3ccccc3Cl)o2)c1 7524818 SRSMRPWMPLGREM-UHFFFAOYSA-N 332.230 5.543 0 40 EKAB CC(C)(C)c1ccc(C(=O)NCCCc2ccccc2Cl)cc1 13671013 QNIAEOIEARJBNT-UHFFFAOYSA-N 329.871 5.000 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(Cl)c1Cl 14022675 CMOTVIURACCGIC-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 44850498 BKETXQBAFXNWAU-IGVGMEOHSA-N 345.417 5.053 0 40 EKAB Cc1cc2nc(Nc3nc4ccc(Cl)cc4s3)oc2cc1C 57352947 LAGLYWGJDWYRCG-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB Fc1ccc(Br)c(CSc2ccc(Cl)cc2)c1 95733485 ICBPFHYBXAMKOI-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OC)c(C)c1 225653067 FXURZVAKRSZSMR-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB COc1cc(C)c(C(=O)Nc2cccc(SC)c2)cc1C(C)C 225658637 CFHABOMJCGLPEP-UHFFFAOYSA-N 329.465 5.101 0 40 EKAB CCNc1ccc2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 226283693 RMSUVWRCCFAKHD-UHFFFAOYSA-N 337.206 5.242 0 40 EKAB C[C@@H](CC(=O)c1cc(OC(F)(F)F)ccc1Cl)CC(C)(C)C 575361620 ZAGCTFFYMAGHSR-JTQLQIEISA-N 336.781 5.884 0 40 EKAB Cc1ccc(Oc2nnc(-c3cccs3)c3ccccc23)cc1C 91771 YWFWZQOEQINLDN-UHFFFAOYSA-N 332.428 5.767 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccc(Cl)cn23)cc1 427563 UIAQMQHNJPWOPB-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB c1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1 2588327 TUAHRAUWELQIGE-UHFFFAOYSA-N 346.433 6.564 0 40 EKAB Cc1nc(Sc2ccc(C)c(C)c2)c2c3c(sc2n1)CCC3 3327130 KRYRFQBQBISTBD-UHFFFAOYSA-N 326.490 5.256 0 40 EKAB Fc1ccc(-c2cn3cc(Cc4ccc(Cl)cc4)sc3n2)cc1 5020477 BHSWXQATABOUTG-UHFFFAOYSA-N 342.826 5.446 0 40 EKAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc2ccccc12 5399851 JTTNQINRMADUSB-UHFFFAOYSA-N 344.458 5.078 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl 8049074 AVBAEJGQUJIGTR-UHFFFAOYSA-N 340.275 5.746 0 40 EKAB COc1ccc(-c2c/c(=N\c3ccc(O)cc3)c3ccccc3o2)cc1 12201451 NZWORHLJIFTDKT-BSYVCWPDSA-N 343.382 5.046 0 40 EKAB CC1(C)C[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 13669429 LKFNPWNVONSFEK-SFHVURJKSA-N 337.463 5.016 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](C5CCCC5)CC[C@]34C)[C@@H]1CC[C@@H]2O 17316107 RBCMLWGBXWRMNN-XBUBOJNLSA-N 344.583 6.196 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)N(c1ccccc1)c1ccccc1 19909038 MOJNSWKMXSYRMU-UHFFFAOYSA-N 336.822 6.019 0 40 EKAB CSc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 20025388 QANCYALJYUXEHU-JTQLQIEISA-N 340.275 5.206 0 40 EKAB Cc1cc2occ(CC(=O)N(C)Cc3ccsc3)c2cc1C(C)C 32741275 MPLZXYKQKIJFGC-UHFFFAOYSA-N 341.476 5.127 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1C 51354183 NMLLXCQHSYMOJZ-UHFFFAOYSA-N 333.229 5.018 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 59351492 RFGMRFPEVWSQIL-MSOLQXFVSA-N 347.458 5.101 0 40 EKAB CC(C)Oc1ccc2ccccc2c1CN1CCCc2ccccc21 89890878 YNYHJNKHZRKMTQ-UHFFFAOYSA-N 331.459 5.580 0 40 EKAB O=C(c1ccccc1)c1coc2ccc(OCc3ccccc3F)cc12 96184073 AXMZJMDMVVCGCM-UHFFFAOYSA-N 346.357 5.382 0 40 EKAB CN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(c1ccccc1)c1ccccc1 102478920 WCMOUGVFBQNLJW-DZFGPLHGSA-N 333.475 5.061 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913608 ZSLFGNQZRMYDJQ-FADMWOJMSA-N 344.539 5.151 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCc1ccc(Cl)cc1 225309275 VLAPGNCJSWKETI-INIZCTEOSA-N 343.898 5.145 0 40 EKAB CCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225690690 HCIKYOFXGJRISX-LAUBAEHRSA-N 349.515 5.261 0 40 EKAB Brc1ccccc1-c1nc2cc(-n3cccc3)ccc2o1 226247107 FIRTUWOHIYYLAL-UHFFFAOYSA-N 339.192 5.048 0 40 EKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1 408580322 OIKGBIWSQBGSJT-UHFFFAOYSA-N 340.423 5.072 0 40 EKAB CCOc1ccc(NCc2ccccc2OCc2ccc(C)cc2)cc1 409120438 ZLZJMSGBKFGNDT-UHFFFAOYSA-N 347.458 5.585 0 40 EKAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2CC(C)C)c1 99375 BSPMXVURHBDYLY-UHFFFAOYSA-N 336.479 5.703 0 40 EKAB Oc1ccccc1-c1nc(Oc2cccc(Cl)c2)c2ccccc2n1 546311 YWIZYTKKPHQLDT-UHFFFAOYSA-N 348.789 5.448 0 40 EKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccco1 567820 LZYLUVQHNJPXMQ-UHFFFAOYSA-N 345.232 5.024 0 40 EKAB Cc1ccc(C)c(COC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 5359287 UDPZBCNWLWNZQU-UHFFFAOYSA-N 344.625 5.016 0 40 EKAB CCCC(=O)Nc1ccc(-c2nc(NC(C)(C)C)sc2C)cc1 7785876 NBHAGAVXSCSZLN-UHFFFAOYSA-N 331.485 5.068 0 40 EKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1-c1ccccc1 12534610 KIQQKRHYZJGWMX-UHFFFAOYSA-N 329.830 6.531 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 14006954 IZSZPTKCYUVKOO-VIFPVBQESA-N 344.625 5.053 0 40 EKAB Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@@H](C)c3ccccc3)N2)n1 19240270 ZLPSSFCVBZYTFX-IAOVAPTHSA-N 340.517 5.245 0 40 EKAB COc1ccc(CNc2ccc(-c3nc4ccccc4s3)cc2)cc1 45954094 DIPBJDYUGMAICH-UHFFFAOYSA-N 346.455 5.584 0 40 EKAB Cc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)c(C)c1 73639624 UIJUWSQLROEZJO-UHFFFAOYSA-N 330.225 5.491 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1 98072783 PWXUJNVIZDMFCH-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223012534 ZYQQXHICXKLRBA-IBGZPJMESA-N 327.855 5.100 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224268926 RBTUIAOIJWXLPK-OAHLLOKOSA-N 345.398 5.300 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 224726599 XIHDHFXQTYAFEA-KRWDZBQOSA-N 339.479 5.395 0 40 EKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1 225427041 FEZWGLFZROEZFO-LJQANCHMSA-N 343.854 5.015 0 40 EKAB Cc1ccc(SCCCNC(=S)Nc2ccc(C)cc2C)cc1 225586388 MXMWFLUCNAFUHV-UHFFFAOYSA-N 344.549 5.081 0 40 EKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N1c2ccccc2Sc2ccccc21 250519543 AIBNHSXHEALWEQ-SOUVJXGZSA-N 336.460 5.188 0 40 EKAB Cc1cccc(N=c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C)s2)c1 409046682 LIWBXFRALJNRSB-UHFFFAOYSA-N 349.286 5.899 0 40 EKAB CCc1ccccc1NCc1ccccc1OCc1ccc(F)cc1 409122070 YSKMHJDJDFHOJQ-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB CCc1ccccc1NC(=O)c1ccc(COc2cccc(C)c2)cc1 482425 PMABIMGIJORIOD-UHFFFAOYSA-N 345.442 5.389 0 40 EKAB CCCCCn1c([C@@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 2721362 YACXDFGYBLEDDP-QGZVFWFLSA-N 349.478 5.026 0 40 EKAB O=C(Nc1c(F)cccc1F)c1cccc(Oc2ccccc2)c1 3216031 HIFNOKLJTRQONH-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB O=C(N[C@@H]1CCCc2ccccc21)C(c1ccccc1)c1ccccc1 5965950 NUBQWRQWXGDXMU-JOCHJYFZSA-N 341.454 5.012 0 40 EKAB CC(C)(C)c1ccc(C(=O)NCCSc2cccc(Cl)c2)cc1 6262682 WOOURBPNZNHNDI-UHFFFAOYSA-N 347.911 5.160 0 40 EKAB Cc1cccc(OCc2ccc(C(=O)Nc3ccccc3C)cc2)c1 6504373 QWGAAHFTRRVSMQ-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1cc(C)cc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1 7950337 YWHIFPJVMALTKP-UHFFFAOYSA-N 331.415 5.058 0 40 EKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 8049628 UXRRGQNQTWBPJQ-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 8220312 WKFUTZFRWYZGTG-NSHDSACASA-N 340.275 5.254 0 40 EKAB Cc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20031828 SCKXOOJZTRQSHD-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB c1ccc(Oc2cccc(CN[C@H]3CCOc4ccccc43)c2)cc1 25356946 RINAHKMYAKAYAZ-NRFANRHFSA-N 331.415 5.092 0 40 EKAB Cc1cc(-c2nc(Nc3ccc(Cl)cn3)sc2C)ccc1F 67322029 LMEVMRXYOFHPAC-UHFFFAOYSA-N 333.819 5.358 0 40 EKAB CCc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 102673068 AXXFFQHXWDLKEP-NRFANRHFSA-N 343.430 5.270 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCCC1 222926240 SFOYXXJTIUCYPH-FQEVSTJZSA-N 345.527 5.371 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 224639643 FQCUPGQWFWTWDW-UHFFFAOYSA-N 347.439 5.950 0 40 EKAB CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 409093810 AIBYVVCLVXPUEY-UHFFFAOYSA-N 343.883 5.262 0 40 EKAB O=C(Nc1ccc(Cl)cc1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 1559538621 XYFUVLIWAXYEIS-PWCSWUJKSA-N 329.871 5.607 0 40 EKAB Cc1ccc(Cn2c(COc3ccc(C)cc3)nc3ccccc32)cc1 99210 ISWTWYDNUZQCAG-UHFFFAOYSA-N 342.442 5.280 0 40 EKAB CCCC1CCC(c2ccc(-c3ccc(CC)cn3)cc2F)CC1 2068651 GKUNSKSKMVVPCE-UHFFFAOYSA-N 325.471 6.524 0 40 EKAB CC(C)(C)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 3325809 QMONLDHZQJWOLU-UHFFFAOYSA-N 337.341 5.135 0 40 EKAB Cc1nc(Nc2ccccc2C(C)C)c2c3c(sc2n1)CCCC3 3354097 VANLNGBVCIHSCB-UHFFFAOYSA-N 337.492 5.746 0 40 EKAB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1cccs1 3893302 UZEWAGNQYRDKJM-HXUWFJFHSA-N 345.423 5.243 0 40 EKAB ON1c2ccccc2-c2ccccc2C1(c1ccccc1)c1ccccc1 5495725 BEIPDONXZRKANB-UHFFFAOYSA-N 349.433 5.855 0 40 EKAB CN(Cc1cccc(Cl)c1)C(=O)C(c1ccccc1)c1ccccc1 6998591 VWZJAWCJWMPSKR-UHFFFAOYSA-N 349.861 5.131 0 40 EKAB COc1ccccc1CCC(=O)Nc1c(C(C)C)cccc1C(C)C 7668658 MNQYTIWWGZGAJF-UHFFFAOYSA-N 339.479 5.513 0 40 EKAB CCc1ccc(CCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10275965 HZAFVVIWMSPDOL-QGZVFWFLSA-N 337.507 5.357 0 40 EKAB CCn1c(-c2ccc(C)cc2)cs/c1=N\c1c(C)cc(C)cc1C 16711456 BFQKIUCPOZHCLR-DQRAZIAOSA-N 336.504 5.703 0 40 EKAB CCCC[C@@H](CC)CNC(=O)CCSc1ccc(Cl)cc1 33655639 DWSWPCYBNFTLSE-CQSZACIVSA-N 327.921 5.155 0 40 EKAB CCOc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 36396490 ANGNJOIPAQKFPM-UKYUDJEDSA-N 349.430 5.064 0 40 EKAB Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 76272412 FLFYDMYJIJYBHX-UHFFFAOYSA-N 325.795 5.450 0 40 EKAB CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc([C@H](C)SC)c1 96415971 PIZLMXOYKOHRCT-KSSFIOAISA-N 343.496 5.121 0 40 EKAB CC[C@@H](NC(=O)CCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223064358 DKIGTGUXNRJDFZ-JOCHJYFZSA-N 335.491 5.074 0 40 EKAB C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 245239364 IECWTSWUVZMVIW-XWYKLCPESA-N 344.583 6.220 0 40 EKAB CCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1OC 408532635 OIYYXUBPWBBPFS-UHFFFAOYSA-N 349.430 5.280 0 40 EKAB Fc1cccc(F)c1CSc1ncnc2sc3c(c12)CCCC3 527413 VBKBXACTRZNEKR-UHFFFAOYSA-N 348.443 5.141 0 40 EKAB Cc1ccc(F)cc1Nc1ncnc2sc3c(c12)CC[C@@H](C)C3 3304466 BEUXBQBHFPHPRK-SNVBAGLBSA-N 327.428 5.007 0 40 EKAB COc1cc2c(cc1OC)-c1cc(-c3ccc(Cl)s3)cn1CC2 5325458 BBPVTOFDAPZFDO-UHFFFAOYSA-N 345.851 5.110 0 40 EKAB CCC1(CC)[C@@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1(C)C 6203032 VRWBOUIJDNCDQD-IBGZPJMESA-N 336.479 5.073 0 40 EKAB C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 6249528 IIGYPMBDDXQKIZ-UMADGWCESA-N 335.491 5.135 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1Cl 6927630 WDWXPQAGHSHTAL-UHFFFAOYSA-N 339.847 5.744 0 40 EKAB CCOc1ccc2ccccc2c1CNc1ccc(Cl)c(Cl)c1 6964722 ZMRVVJCTBJELPL-UHFFFAOYSA-N 346.257 6.157 0 40 EKAB CCc1ccc(NC(=O)CCc2ccc(-c3ccc(C)cc3)o2)cc1 15867345 YIKKXMOKYWUBCE-UHFFFAOYSA-N 333.431 5.389 0 40 EKAB Cc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1 16842868 VRMKHAHUWSWSDR-UHFFFAOYSA-N 337.473 5.059 0 40 EKAB CCN(CC)c1ccc(NC(=S)Nc2ccc(C)c(F)c2)c(C)c1 71761682 QWZXCSNYBTVZNG-UHFFFAOYSA-N 345.487 5.098 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 78457645 HSILRCMNQTWTQJ-QGZVFWFLSA-N 329.443 5.407 0 40 EKAB C[C@@H]1CC2=Nc3nc4ccccc4n3[C@H](c3ccc(F)cc3)C2=C(O)C1 102602539 LIZRWFOXUYWHSR-MPBGBICISA-N 347.393 5.093 0 40 EKAB Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccccc1 103229227 UKTJAMQLFFEBST-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc2ccccc2c1 147098450 UBQFFVMOCVFAKS-UHFFFAOYSA-N 341.863 5.614 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225701842 RLCAVXRHCQXBDZ-SFHVURJKSA-N 341.879 5.053 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(OCC)cc1 408588413 WCIGHICLJGJDDC-UHFFFAOYSA-N 347.842 5.170 0 40 EKAB CC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 128420 MVZGHCCYURBICT-UHFFFAOYSA-N 338.234 5.134 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 145349 CFDKBCBPIIEJST-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Clc1ccccc1-c1nc(NC2CCCCC2)c2ccccc2n1 2267546 KNVJCXHNKNUCGD-UHFFFAOYSA-N 337.854 5.695 0 40 EKAB CCc1cccc(C)c1NC(=O)C(c1ccccc1)c1ccccc1 2737463 GGHBZRVKMHNSAO-UHFFFAOYSA-N 329.443 5.328 0 40 EKAB O=C(c1cc2c(s1)CCCC2)N(Cc1ccccc1)c1ccccc1 3337420 RSOIKZFMCNMXMH-UHFFFAOYSA-N 347.483 5.474 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 3897713 AZUOJYHOAWIVLM-BULFRSBZSA-N 336.475 5.971 0 40 EKAB C1=C(c2ccc3ccccc3n2)[C@H](c2ccccc2)Nc2ccccc21 3904594 DJVKTQCJMDTQCN-DEOSSOPVSA-N 334.422 5.942 0 40 EKAB FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1 4003113 BLFXIQOXFXUXCT-UHFFFAOYSA-N 334.366 5.183 0 40 EKAB Fc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 5065872 NZEMTDURMYJHFD-UHFFFAOYSA-N 333.793 6.361 0 40 EKAB CSc1nc2ccccc2n1C(c1ccccc1)c1ccccc1 5335933 WSLQWSAAFGGWKL-UHFFFAOYSA-N 330.456 5.396 0 40 EKAB CCCCCN(CCCCC)C[C@@H](O)c1ccc(Cl)c(Cl)c1 5524359 BXEWHHRSESPULZ-GOSISDBHSA-N 346.342 5.709 0 40 EKAB CCc1ccc2c(CC(=O)Nc3ccc(C)cc3Cl)coc2c1 6551324 OLQDKPZVRRLRBG-UHFFFAOYSA-N 327.811 5.138 0 40 EKAB CC(C)c1n[nH]c(SCc2ccccc2Oc2ccccc2)n1 23973742 STNINBSZLKYLSP-UHFFFAOYSA-N 325.437 5.013 0 40 EKAB Fc1c(Cl)cccc1NC(=S)Nc1cc(Cl)ccc1Cl 71326196 CTADODFNPXHQCV-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB Fc1ccc(NC(=S)Nc2cccc3c2CCCC3)c(Cl)c1 71761706 PCKLXVAZEOCVRN-UHFFFAOYSA-N 334.847 5.167 0 40 EKAB c1ccc(CN2CCCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 72213984 FHMNVGKCNCXUNU-OAQYLSRUSA-N 335.495 5.163 0 40 EKAB Cc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4)oc3c2)c1 95116513 DKZXMGRKTXIHQF-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl 95916034 WKDUVFVOAFIPBA-UHFFFAOYSA-N 327.210 5.891 0 40 EKAB COc1cc(C)c(C(=O)Nc2c(C)cc(C)cc2C)cc1C(C)C 225659483 LIIRATPFPYKYJY-UHFFFAOYSA-N 325.452 5.305 0 40 EKAB FC(F)(F)c1cccc(N=c2[nH]c3c(s2)CCc2ccccc2-3)c1 408895742 LUMOUIBNUOIYTC-UHFFFAOYSA-N 346.377 5.093 0 40 EKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504078 GQLXYZNVALHFGK-HXUWFJFHSA-N 341.414 5.247 0 40 EKAB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 9063961 HBCWWDVUQNGSDB-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1ccc2[nH]c(SCc3nc(-c4cccs4)oc3C)nc2c1 10486582 QGTFYMUESXBEPW-UHFFFAOYSA-N 341.461 5.189 0 40 EKAB CCCCCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1 16638445 ZJVNTGUCZFUIKE-UHFFFAOYSA-N 346.927 6.272 0 40 EKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1 33298161 SWCUHUDBVYQSCR-UHFFFAOYSA-N 347.443 5.068 0 40 EKAB Fc1ccc(COc2ccc(CNc3nccs3)cc2)c(Cl)c1 35287251 OKDXVCQFWHUGGI-UHFFFAOYSA-N 348.830 5.127 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)c1 44900355 SGUUGHWHKFLRCG-MSOLQXFVSA-N 347.458 5.101 0 40 EKAB CCCCc1ccc2nc(C)cc(Nc3ccccc3C(=O)O)c2c1 78401752 XNTFJAHMGTUPBX-UHFFFAOYSA-N 334.419 5.328 0 40 EKAB CCSc1ccccc1NC(=O)c1oc2ccc(CC)cc2c1C 80344472 FXIZYNVMSCVUPI-UHFFFAOYSA-N 339.460 5.668 0 40 EKAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223007821 ATOPUNJOUWQDAF-ZDUSSCGKSA-N 344.911 5.266 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1Cl)c1ccc2c(c1)CCCC2 223012317 YIFAGWVPXWGWFR-LJQANCHMSA-N 327.855 5.100 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 225366925 YZMHSQJPRFJZSO-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 63999 VYMBODDXFPRFGH-RMKNXTFCSA-N 325.717 5.011 0 40 EKAB CC[C@]1(C)OC(c2ccc(Br)cc2)=Nc2ccccc21 90795 BLFUPXBYXCEWGP-KRWDZBQOSA-N 330.225 5.183 0 40 EKAB O=C(Oc1cccc2ccccc12)c1ccc(-c2ccc(Cl)cc2)o1 970716 MGVDHWYVDCKZDY-UHFFFAOYSA-N 348.785 5.972 0 40 EKAB Cc1cccc(NC2=C3C[C@@H](C)CC=C3N(c3cccc(C)c3)C2=O)c1 1424274 NLFTZCVWJUEBQO-KRWDZBQOSA-N 344.458 5.330 0 40 EKAB Cc1ccc(C)c(COc2cc(C)cc3oc(=O)c4c(c23)CCCC4)c1 1797638 SFVRPTYXBXONGT-UHFFFAOYSA-N 348.442 5.176 0 40 EKAB COc1ccc(-c2csc3ncnc(Oc4ccccc4)c23)cc1 2663175 UWGPKQOBIVPYLC-UHFFFAOYSA-N 334.400 5.159 0 40 EKAB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3)sc2C1 3207613 CNDJVRJNAQNSFY-LBPRGKRZSA-N 348.899 5.200 0 40 EKAB Cc1cc(C)c(NC(=O)c2cc3c(s2)CCCCC3)c(Cl)c1 3428142 IFWUOQXJKBLISF-UHFFFAOYSA-N 333.884 5.540 0 40 EKAB CCOc1ccc(-c2ccc(SCc3cccc(C)c3)nn2)cc1 4355891 MXKJGLTWXOGQSL-UHFFFAOYSA-N 336.460 5.143 0 40 EKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1 6121668 PMXWVMRBVZRWEO-LBPRGKRZSA-N 340.448 5.477 0 40 EKAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 6221183 KBAWGUUBHFNLCV-UHFFFAOYSA-N 337.806 5.693 0 40 EKAB CCc1ccccc1NC(=O)CCCOc1ccc(Cl)c(C)c1 6628327 CUXXIZCOPRBMTC-UHFFFAOYSA-N 331.843 5.009 0 40 EKAB Fc1ccc([C@H](CCNCc2ccco2)c2ccc(Cl)cc2)cc1 6669746 RIUPZOQWLIFGHD-HXUWFJFHSA-N 343.829 5.384 0 40 EKAB Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 6757213 JXJGDFRTVLTJPC-OAQYLSRUSA-N 331.440 5.750 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccccc1SCc1ccccc1 10434211 QMZFAVSGXCWDDY-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CCCC5)[C@@H](C)CCC3)c1 12610121 BUMWNVSHXNDZMO-HNNXBMFYSA-N 347.527 6.590 0 40 EKAB Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)c(Cl)c1 12920351 DFQPRHWPSSZFOD-UHFFFAOYSA-N 348.880 5.394 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 14022433 IDMNDKSJMHQVLQ-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB Nc1ccc(Oc2ccccc2Cc2ccccc2)c(C(F)(F)F)c1 14630222 FDYGPCNJSSSYDL-UHFFFAOYSA-N 343.348 5.671 0 40 EKAB CC[C@@H](C)Oc1ccc(NCCOc2cc(C)ccc2C(C)C)cc1 19737515 ASCXJRUFSGECED-GOSISDBHSA-N 341.495 5.787 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccccc3)ccc21 20496506 PXDKGXLJDWKSMS-NTCAYCPXSA-N 340.426 5.466 0 40 EKAB Cc1ccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 23126580 CXEXVCJKVZRUBT-UHFFFAOYSA-N 349.434 5.136 0 40 EKAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 24318092 JBKQPOMJKXGNQB-CQSZACIVSA-N 328.264 5.182 0 40 EKAB CC(=O)OC/C=C(C)\C=C/C=C(C)\C=C/C1=C(C)CCCC1(C)C 40454325 QGNJRVVDBSJHIZ-IQCIHMQOSA-N 328.496 6.081 0 40 EKAB Cc1cccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)n[nH]3)n2)c1 57510917 RETDPDNXMUMPPN-UHFFFAOYSA-N 344.418 5.226 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3cc(C)cc(C)c3)o2)cc1 64658627 CMBOXNZASSHWTR-UHFFFAOYSA-N 335.403 5.036 0 40 EKAB Brc1cncc(Oc2ccccc2-c2ccccc2)c1 169267457 HFXMTHCOJMZELZ-UHFFFAOYSA-N 326.193 5.303 0 40 EKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225733545 FRWYUYYABHGRTG-UZLBHIALSA-N 335.488 5.034 0 40 EKAB Cc1cccc([C@@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)c1 225749638 SZTCCYDSIVAUCM-QFIPXVFZSA-N 349.861 5.097 0 40 EKAB CCOc1ccc([C@H](c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 2009809 BXBLFNGPERAXLB-INIZCTEOSA-N 343.681 5.896 0 40 EKAB N=C1c2ccccc2CN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3191345 HCMCYXGNVGZCMY-UHFFFAOYSA-N 344.258 5.070 0 40 EKAB S=C(NCC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 3328113 DBWZSMKWALMPGA-UHFFFAOYSA-N 340.492 5.346 0 40 EKAB Clc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 4171462 LIZPRRMIMVTLHQ-NTCAYCPXSA-N 344.845 5.908 0 40 EKAB CCCCOc1ccc(/C=C\C(=O)OC[C@H](CC)CCCC)cc1 5553660 NWSWTXGGTKZDFO-WTQUMQLASA-N 332.484 5.638 0 40 EKAB Oc1cccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c1 5687433 SAADDAYNFDSVFW-UHFFFAOYSA-N 346.817 5.770 0 40 EKAB O=C(CSCc1ccc(F)cc1)Nc1c(Cl)cccc1Cl 7146357 KKOCPCPQKLLVQZ-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB COc1ccc(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 7813812 TVHQVHWADWPAQA-NRFANRHFSA-N 337.850 5.228 0 40 EKAB C[C@H](SCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 10277707 MQMUBUNIFGXMNY-NSHDSACASA-N 340.275 5.254 0 40 EKAB CCCCCCNCc1ccc(OCc2ccccc2)c(Cl)c1 10474847 UFXLXXXNKLFFEU-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB C[C@H]1CC2(CCCC2)N(C(=O)Nc2ccccc2)Cc2ccccc21 13689971 DOCHDYAQJOWSKH-KRWDZBQOSA-N 334.463 5.541 0 40 EKAB Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(Cl)cc1Cl 15135231 DSBQBHLCPHLMNA-XGICHPGQSA-N 338.215 5.028 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]2CCCC[C@H]2C1 16385379 YBPWSZIAWJLJCC-NEPJUHHUSA-N 327.255 5.037 0 40 EKAB C[C@@]12CC3CC(NC(=O)Nc4cccc(Cl)c4)(C1)C[C@](C)(C3)C2 16605656 BUODOHUYRDRAHQ-DFDFAMMDSA-N 332.875 5.211 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(C)C 20035260 UEGZNFFPURAVTJ-GOSISDBHSA-N 331.843 5.260 0 40 EKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(F)cc2)cc1 22072967 ICUWXGGVBUPKRR-UHFFFAOYSA-N 349.409 5.340 0 40 EKAB Clc1ccccc1Oc1nc(-c2ccncc2)nc2ccccc12 24040030 YAESFJXHSGDRRA-UHFFFAOYSA-N 333.778 5.138 0 40 EKAB CCC[C@H](NC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 58218287 DFLJMIQAGNNHMX-ZDUSSCGKSA-N 327.371 5.038 0 40 EKAB Fc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 71924269 GLZINLSYORTIJO-UHFFFAOYSA-N 333.793 6.361 0 40 EKAB COc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 96171195 QVDDJZFCHHXQHM-UHFFFAOYSA-N 344.720 5.011 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc3ccccc23)cc1 222872057 CCGXMVURRLRMIC-NRFANRHFSA-N 333.431 5.198 0 40 EKAB COc1cccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 408618246 FHALMFZQUJADFN-UHFFFAOYSA-N 345.757 5.000 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(OCC)cc2)cc1OC 409119420 WNYYUMBVDWYLJS-UHFFFAOYSA-N 349.858 5.148 0 40 EKAB CCc1cc(-c2ccccc2OCc2ccccc2)ccc1C(=O)O 2037873711 QQWDRHRUIGHSCG-UHFFFAOYSA-N 332.399 5.193 0 40 EKAB c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 321187 RPCZTDBBHCHBNW-UHFFFAOYSA-N 343.455 5.227 0 40 EKAB Cc1cc2oc(=O)cc(C)c2c2occ(-c3ccc4ccccc4c3)c12 489321 GMCILVHUEICTDP-UHFFFAOYSA-N 340.378 5.976 0 40 EKAB biogenic Cc1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 1507946 RBSBQGIHULJQMN-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB O=C(c1ccccc1)c1cc(-c2ccccc2)n(C2CCCCC2)c1 1759968 NOTDOCTWTPMIBV-UHFFFAOYSA-N 329.443 5.891 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2ccccc2o1 3554061 VPNLOCNWVDWMGA-UHFFFAOYSA-N 329.355 5.477 0 40 EKAB CCCOc1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 4568539 GZTSSTVZDRRVRC-UHFFFAOYSA-N 345.398 5.627 0 40 EKAB biogenic N[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1 4782894 LIMBBOCCFYASJS-YCAMKHIRSA-N 327.471 5.459 0 40 EKAB COc1ccccc1-c1nnc(SCc2cccc3ccccc23)o1 8709182 SJFNQUBIWYJHJT-UHFFFAOYSA-N 348.427 5.191 0 40 EKAB COc1ccc(CNCc2c(-c3ccccc3)[nH]c3ccccc23)cc1 12759409 XEQPJFSVLZFRSR-UHFFFAOYSA-N 342.442 5.133 0 40 EKAB Cc1cccc(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 12915935 FEOATRBMCSRJDQ-HNNXBMFYSA-N 332.856 5.007 0 40 EKAB Cc1cc(Br)ccc1NCc1ccc(Cl)cc1Cl 20563708 QAJIQXSSXPQBAO-UHFFFAOYSA-N 345.067 5.676 0 40 EKAB CCCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](OC)CC[C@H]12 43771932 IUWKNLFTJBHTSD-BIRZXAFVSA-N 328.496 5.347 0 40 EKAB Cc1c(Cl)cccc1NC(=O)Nc1cccc(Br)c1 51354366 CVVAVPAPBDCEPS-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB Nc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)c(Cl)c1 57352773 LXMUMOYIRGWKLW-UHFFFAOYSA-N 334.806 5.321 0 40 EKAB Cc1ccc(OCc2nc(CSc3ccc(O)cc3)cs2)cc1 64037924 HTCPDBXHEIVMFF-UHFFFAOYSA-N 343.473 5.028 0 40 EKAB Fc1ccc(-c2nc(COc3ccc4ncccc4c3)cs2)cc1 65205861 OROBTLDUXJYYIZ-UHFFFAOYSA-N 336.391 5.076 0 40 EKAB Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(OC3CCCC3)cc2)s1 84205239 JELHSTXSGDDJCO-OAHLLOKOSA-N 343.492 5.211 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 96171023 LOGRAOWYDCJAIN-UHFFFAOYSA-N 344.720 5.191 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2C)cc1C 223397812 MSZQFERWIBEFIC-SFHVURJKSA-N 341.520 5.031 0 40 EKAB CC(C)c1nc(-c2ccccc2OCc2ccccc2)ccc1C(=O)O 257307959 TUWLKCWMBMPGAF-UHFFFAOYSA-N 347.414 5.149 0 40 EKAB O=C(NCc1cc(-c2ccsc2)cs1)c1ccccc1Cl 1775969972 VBLKCGSEDSIWRX-UHFFFAOYSA-N 333.865 5.060 0 40 EKAB COc1cccc(OCC2=NC(C)(C)Cc3c2ccc2ccccc32)c1 86375 NZAPUFZMVMBSLV-UHFFFAOYSA-N 345.442 5.051 0 40 EKAB O=C(Nc1ccc(F)cc1)[C@H]1CC2c3ccccc3C1c1ccccc12 335396 BKIHKKDKBWSJQN-ORFBVSJDSA-N 343.401 5.062 0 40 EKAB CC1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1 559762 GYKUEXRBLJUALS-UHFFFAOYSA-N 344.458 5.328 0 40 EKAB CCCSc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 2281776 YPFUOSNTFRLPOY-UHFFFAOYSA-N 343.521 5.183 0 40 EKAB CC(C)OP(=O)(OC(C)C)[C@@H](O)c1ccc(Cl)cc1Cl 2360003 IRRKWCDEEHLPJH-CYBMUJFWSA-N 341.171 5.027 0 40 EKAB O=C(Cc1ccc(Cl)cc1)N(C1CCCCC1)C1CCCCC1 2746752 VISSYJJFYZNWQQ-UHFFFAOYSA-N 333.903 5.377 0 40 EKAB CSc1nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2s1 4072498 YRIJTLZDVOCMST-UHFFFAOYSA-N 349.868 5.316 0 40 EKAB CC(C)CC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 5024882 UKGBHKCEVXVYFR-UHFFFAOYSA-N 346.789 5.272 0 40 EKAB CCCC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@H](CC)C(=O)C[C@H]1c1ccccc1 5707117 UXCXYEFGTCWSBA-NVXDSCFRSA-N 348.486 5.538 0 40 EKAB CCCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 6764210 WDZRXRWXNKMXHU-UHFFFAOYSA-N 342.874 5.269 0 40 EKAB C[C@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 7524467 GDLAXTKNRICXES-ZDUSSCGKSA-N 346.257 6.104 0 40 EKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1F 11916790 PQKUVLHVNJWGSK-UHFFFAOYSA-N 344.773 5.003 0 40 EKAB Cc1cccc(C)c1NC(=O)c1cc2c(s1)-c1ccccc1CC2 15992370 OKQNSSXGGRUIOW-UHFFFAOYSA-N 333.456 5.383 0 40 EKAB O=C(Cc1cccs1)Nc1ccccc1Oc1ccccc1Cl 24401085 FIOGELFJIBTKAP-UHFFFAOYSA-N 343.835 5.375 0 40 EKAB CCOc1cccc2cc([C@H](C)NC(=O)Nc3cccc(C)c3)oc12 32751229 KUYFLOYTXAHJNR-AWEZNQCLSA-N 338.407 5.023 0 40 EKAB O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1cccc2ccccc12 58168082 NQDOCUQINQTLLN-DEOSSOPVSA-N 348.389 5.308 0 40 EKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc2[nH]ccc12 58194971 PMMASMGHJOEHPC-UHFFFAOYSA-N 340.426 5.329 0 40 EKAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(C)c1 80344935 JTKIRUUHGJTEJK-CVEARBPZSA-N 334.246 5.352 0 40 EKAB O=C(Nc1ccccc1Cl)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255876 FAZDNOCTZBOBQS-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB CCc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1 225760401 HFWXYSQJFAGOIM-LJQANCHMSA-N 326.509 5.241 0 40 EKAB Fc1ccc(SCSc2ccc(F)cc2Cl)c(Cl)c1 2362803811 NUNAFACHCWIKJT-UHFFFAOYSA-N 337.243 6.114 0 40 EKAB CCc1cccc(Oc2nc(-c3ccccn3)nc3ccccc23)c1 529614 FEIPBRXBSMYZGO-UHFFFAOYSA-N 327.387 5.047 0 40 EKAB O=C(Nc1ccc2ccccc2c1)[C@H](c1ccccc1)C1CCCC1 2198012 ZOSTWKFQFNTANW-JOCHJYFZSA-N 329.443 5.752 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1 2749074 FYICAXRDIGRULK-YLSINNKHSA-N 331.818 5.645 0 40 EKAB O=P(NC1CCCCC1)(NC1CCCCC1)Oc1ccccc1 3122346 AHFWMBIUPZGCRW-UHFFFAOYSA-N 336.416 5.018 0 40 EKAB Clc1cccc(CNc2nc(-c3ccccc3)nc3ccccc23)c1 3336595 DEZCBHJPOYCVKB-UHFFFAOYSA-N 345.833 5.562 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)/C=C/c1cccs1 5700132 JMRXDMCYEQKPAF-CMDGGOBGSA-N 328.477 5.419 0 40 EKAB Clc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1 5965589 PSAJTZFSRGWUOI-UHFFFAOYSA-N 330.818 6.064 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 6234485 MICOSNHVKFMMSO-NTCAYCPXSA-N 335.491 6.068 0 40 EKAB Cc1ccc([C@@H]2C[C@H]2c2n[nH]c(=S)n2-c2ccc(Cl)cc2)cc1 6533832 AINSTPYBZSXWHP-JKSUJKDBSA-N 341.867 5.163 0 40 EKAB C(=C\[n+]1cc(-c2ccccc2)cc(-c2ccccc2)c1)\c1ccccc1 8618959 QINOPOBZLLWFAN-MSUUIHNZSA-N 334.442 5.936 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O 12503900 MBMBGCFOFBJSGT-SFGLVEFQSA-N 328.496 6.549 0 40 EKAB biogenic,in-vitro CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21 13961127 BRHNRNBWWHXERK-UHFFFAOYSA-N 347.384 5.534 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl 14258359 YJONREBHMMHPOV-UHFFFAOYSA-N 348.151 5.573 0 40 EKAB Cc1ccccc1OCCNc1ccc(OCc2ccccc2)cc1 19738187 URFMHFQYKWOWFD-UHFFFAOYSA-N 333.431 5.065 0 40 EKAB Cc1ccccc1[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 19932816 KGHKVSJKNHWDQR-JOCHJYFZSA-N 349.861 5.097 0 40 EKAB Cc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c(C)c1 67340014 UIXOJGFNJQDEOC-VMPITWQZSA-N 325.795 5.355 0 40 EKAB Cc1ccc(-c2nnc([C@@H](C)Oc3cccc(Cl)c3Cl)o2)cc1 72276961 AGIRFUSDJDLIGT-LLVKDONJSA-N 349.217 5.492 0 40 EKAB Cc1[nH]c(-c2ccc(-c3ccc(F)cc3)s2)nc1-c1ccccc1 95468322 UTQYRVUVPPFNCA-UHFFFAOYSA-N 334.419 5.920 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F 216297403 MYFCDNSBUHXVCP-CQSZACIVSA-N 341.810 5.128 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1C 225756013 PPIRYLVLOKCQIJ-IBGZPJMESA-N 326.509 5.556 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)c1ccc2c3c(cccc13)CC2 226295651 ITRYIYVAHLHOBR-UHFFFAOYSA-N 327.210 5.476 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H]2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)c(C)c1 252394305 FWYWHXFRKQRPHK-XNLUNCMISA-N 337.507 5.879 0 40 EKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2[C@H](C)CC)cc1 569075 OHINZNBNDHRTMD-HZPDHXFCSA-N 325.452 5.630 0 40 EKAB C/C=C(/C)c1cccc(OCc2ccccc2)c1OCc1ccccc1 1563589 SVTIHMMJGHVHJE-OQOIWIOPSA-N 344.454 6.268 0 40 EKAB CCCCCc1ccc(C2=NN3C(C)=CC(C)(C)N=C3S2)cc1 5419262 ILTQBLCTHFQXSG-UHFFFAOYSA-N 327.497 5.182 0 40 EKAB Nc1snc2c1[C@@H](c1cccc(F)c1)c1c(ccc3ccccc13)O2 5704956 UYPZCSJWFSEFMX-INIZCTEOSA-N 348.402 5.304 0 40 EKAB O=C(/C=C/c1cccc(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 6078828 YLKPRCOTUSHAQQ-QPJJXVBHSA-N 343.707 5.150 0 40 EKAB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 8336072 RJJUJLRQUIQBID-NJSLBKSFSA-N 339.822 5.173 0 40 EKAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(C)cc2)cc1 9871369 WMGGXBWLUHQEPD-HXUWFJFHSA-N 338.451 5.153 0 40 EKAB C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1cccs1 12981171 UYAQBPCNDNRBFI-UWVGGRQHSA-N 343.279 5.176 0 40 EKAB CC(C)Oc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 14663960 MNSUSJURWPYMCA-UHFFFAOYSA-N 347.414 5.518 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(C)C)cc1 20453341 YQARQQYQEDWIDD-SFHVURJKSA-N 331.843 5.260 0 40 EKAB Clc1ccc(Cl)c(-c2ccc(CNCCc3ccccc3)o2)c1 22076503 YTCFOPNJWHLMTH-UHFFFAOYSA-N 346.257 5.586 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 30857158 MZJGMWJBUFHPFJ-QGZVFWFLSA-N 339.479 5.559 0 40 EKAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(OC2CCCC2)c1 32769544 SCJOVEHRCTXQJM-UHFFFAOYSA-N 348.446 5.061 0 40 EKAB O=C(Nc1ccccc1Cl)c1ccccc1SCc1ccco1 32841419 WDPVCEUIAVWBTE-UHFFFAOYSA-N 343.835 5.478 0 40 EKAB Cc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc1 33621272 FCHQVXKDDJPZPV-SSZFMOIBSA-N 329.399 5.118 0 40 EKAB CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088089 VEKJYFGMXPZTDS-UHFFFAOYSA-N 346.402 5.253 0 40 EKAB O=C(Oc1ccc2ccccc2c1)C1[C@H]2CCC[C@H]1C2c1ccccc1 100082042 VPFRMRZCVGQFNH-SIYKVTCMSA-N 342.438 5.575 0 40 EKAB N=C(S)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 107898811 HOPJYLKOMWOWSH-JRIJMYPQSA-N 347.487 5.148 0 40 EKAB CCc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222681698 JAMDSSBMZJEWRL-UHFFFAOYSA-N 333.884 5.413 0 40 EKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(C)c(C)c1 225310245 BCCOWOKQRUSWJB-LJQANCHMSA-N 329.871 5.157 0 40 EKAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1Cl 225511488 LTYVFQKBGBMESD-UHFFFAOYSA-N 343.854 5.108 0 40 EKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225690207 RWDOWKWFWRXXDS-NRFANRHFSA-N 347.499 5.096 0 40 EKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OC)c(C)c1 225697122 ALLBAZNKXJKXDP-UHFFFAOYSA-N 349.515 5.118 0 40 EKAB O=C(Nc1scnc1-c1ccccc1)c1ccc(Cl)cc1Cl 524375577 QZSUBQUTLQYYFT-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB Clc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1 321225 QBPLNVTXKDXWSR-UHFFFAOYSA-N 331.806 5.255 0 40 EKAB 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5.581 0 40 EKAB CCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 6752649 DEBHVKFZPPFSIG-UHFFFAOYSA-N 328.843 5.111 0 40 EKAB CCOc1ccccc1NC(=O)c1cc(C(C)C)nc2ccccc12 8263930 OTFSBZREZOEGRK-UHFFFAOYSA-N 334.419 5.009 0 40 EKAB CC(=O)Nc1ccc(CN[C@@H](c2ccc(C(C)C)cc2)C(C)C)cc1 8880146 XWIDAUZAKYXZPF-JOCHJYFZSA-N 338.495 5.255 0 40 EKAB CCc1ccccc1NC(=S)N[C@H](C)c1ccc(C(C)(C)C)cc1 13774770 PRZRXXVDRVZRDY-OAHLLOKOSA-N 340.536 5.594 0 40 EKAB O=C(Nc1cccc2ccccc12)c1ccc(COc2ccccc2)o1 14428932 PLACOBMORSHHAS-UHFFFAOYSA-N 343.382 5.264 0 40 EKAB Oc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 16431560 IWKSIVISNWQRIW-UHFFFAOYSA-N 340.176 5.116 0 40 EKAB Cc1ccc(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)cc1 22072764 PXLRQKPOZVVAJY-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB C[C@@H](Cn1c([C@H](C)c2ccccc2)nc2ccccc21)c1ccccc1 26533500 HYSVNKWCHLLMGA-RBUKOAKNSA-N 340.470 5.992 0 40 EKAB Fc1ccc(COc2cccc(CNc3ccccc3Cl)c2)cc1 33851718 HIJUKROYHNOMMZ-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB O=C(Nc1ccccc1Cl)N(Cc1ccoc1)Cc1cccs1 90612232 NIAUVVIEVDRKDW-UHFFFAOYSA-N 346.839 5.229 0 40 EKAB Cc1ccccc1COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 226295310 JITBSQFSIPPCNZ-UHFFFAOYSA-N 349.817 6.036 0 40 EKAB CC(C)CCOc1cccc(C(=O)Nc2cccc3ccccc23)c1 260831 XOFGGEAMCMMGOV-UHFFFAOYSA-N 333.431 5.517 0 40 EKAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccccc1 363576 MOJZFOSZVUDPGA-SECBINFHSA-N 344.625 5.053 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 562895 KORFTQIQTUKPQJ-RMKNXTFCSA-N 326.610 5.299 0 40 EKAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1cccc2ccccc12 975775 RZXSOUJFTIGLNL-CPNJWEJPSA-N 345.423 5.076 0 40 EKAB COc1cc(C)c(Cc2cc(C(C)C)c(OC)cc2C)cc1C(C)C 1665467 WRXLZQCVCYNUIQ-UHFFFAOYSA-N 340.507 6.158 0 40 EKAB COc1ccccc1/C=C/C(=O)Oc1ccc(-c2ccc(C)cc2)cc1 1782492 VRAWEYGKOYGCIH-DTQAZKPQSA-N 344.410 5.289 0 40 EKAB CC[C@H](C)N(C(=O)c1sc2cc(C)ccc2c1Cl)[C@@H](C)CC 2767268 GXVRCFIRUGODRY-STQMWFEESA-N 337.916 5.902 0 40 EKAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 5601898 JIDTWNDASVSQTK-OAHLLOKOSA-N 339.460 5.154 0 40 EKAB Cc1cc(OCC(=O)Nc2c(C)cccc2C(C)C)ccc1Cl 5756004 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c1ccc(-c2nc3ccccc3nc2-c2ccc3ccccc3c2)cc1 3844980 HNSRDBYTXUBSRF-UHFFFAOYSA-N 332.406 6.117 0 40 EKAB biogenic CC(C)=CCC[C@@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1 5845767 DWMBXHWBPZZCTN-QHCPKHFHSA-N 347.458 6.246 0 40 EKAB endogenous,in-man CCCc1nc2ccccc2n1Cc1csc(-c2ccccc2)n1 6160135 AXSPQKOADDSHIW-UHFFFAOYSA-N 333.460 5.161 0 40 EKAB Oc1cccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)c1 6335439 LCSGFXOSFTYFJV-SNAWJCMRSA-N 332.186 5.123 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 8220315 XKLFJZHJIBCLMG-JTQLQIEISA-N 326.248 5.113 0 40 EKAB Cc1ccc(CSc2nc(Cl)cc(-c3ccc(C)cc3)n2)cc1 12016176 NRMKGGZFAYJTKV-UHFFFAOYSA-N 340.879 5.706 0 40 EKAB Cc1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)n1 12935949 LAIPAUMWKBSLII-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 13934102 ODOYFCSFGFSSSV-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(=O)[nH]c2ccccc12 14122930 QZMALEGFKFMMLO-UHFFFAOYSA-N 348.446 5.027 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 20458754 ZGNSPEVKVCVVAQ-OAHLLOKOSA-N 341.810 5.128 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C(C)C)C(C)C 30871155 GIRSUEDISBUOAE-OAHLLOKOSA-N 327.921 5.008 0 40 EKAB CSc1oc(-c2ccc(C)cc2)nc1-c1nc2ccccc2s1 34432976 FKPGMJMYQFTOTG-UHFFFAOYSA-N 338.457 5.649 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 44880123 KZLXKBUYJNHIAE-SFHVURJKSA-N 345.870 5.479 0 40 EKAB Cc1cc(Br)c2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 216911623 GFVBVYUCWHLRLI-UHFFFAOYSA-N 329.241 5.424 0 40 EKAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1Cl 225706300 MSBJHPQSVWEZFZ-ZDUSSCGKSA-N 348.899 5.013 0 40 EKAB COc1ccc2c(c1)CCc1sc(Nc3ccc(Cl)cc3)nc1-2 408889997 MHQZSCHTBNDJTL-UHFFFAOYSA-N 342.851 5.314 0 40 EKAB O=C(NC1CCCCCC1)c1ccc(CSc2ccccc2)cc1 409025011 PIUDUOUWUWZXAB-UHFFFAOYSA-N 339.504 5.432 0 40 EKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1C 409114734 KZXAZQBAFACABR-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB Cc1ccc(-c2cc(C)nc(SCc3ccc(Cl)cc3)n2)cc1 409385067 IQAMFRUCWYDCBG-UHFFFAOYSA-N 340.879 5.706 0 40 EKAB Cn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2ccccc21 324544 AGMIZPWDSTWHGX-UHFFFAOYSA-N 349.437 5.902 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(C)cccc2s1 567897 XTQPZSFYYKRZRK-UHFFFAOYSA-N 348.427 5.019 0 40 EKAB O=C1c2ccccc2CCC1(Cc1ccccc1)Cc1ccccc1 1682348 VYCYIUPAMOTMKI-UHFFFAOYSA-N 326.439 5.287 0 40 EKAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C[C@H](C)CCC=C(C)C 1866194 MKQRUPCSMDQKBM-FOIQADDNSA-N 326.484 5.136 0 40 EKAB CC(C)CC[C@]1(CCN[C@@H](C)c2ccccc2)CCOC(C)(C)C1 2111866 ZJDLVBRPNKOGFF-UGKGYDQZSA-N 331.544 5.739 0 40 EKAB biogenic COc1ccc([C@H](CCN[C@H](C)c2ccc(Cl)cc2)C(C)C)cc1 2213959 CAHWGTXKPSGYFT-IIBYNOLFSA-N 345.914 5.829 0 40 EKAB CCCOc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1 3177015 WIFUMNJUPYBOQA-UHFFFAOYSA-N 338.329 5.138 0 40 EKAB CCN(C(=O)c1cc2sc3ccccc3c2s1)c1ccccc1 3183783 OXJIZWGUQUAQME-UHFFFAOYSA-N 337.469 5.783 0 40 EKAB Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2sccn12 3909978 BOTKZOALQIUDCS-UHFFFAOYSA-N 335.432 5.129 0 40 EKAB CC(C)CC[C@@H](CCN1Cc2ccccc2C1)[C@H]1CCOC(C)(C)C1 4090129 USBHRYGJIWUWPF-PMACEKPBSA-N 343.555 5.650 0 40 EKAB biogenic CCCOc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl 6779027 ROFVGAUDMRUQFK-UHFFFAOYSA-N 344.669 6.048 0 40 EKAB Fc1cccc2c1ncc1c(-c3ccccc3)nn(-c3ccccc3)c12 8024070 LZKYDQHXLWUHAT-UHFFFAOYSA-N 339.373 5.380 0 40 EKAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1(C)C 8306563 KMEMYQMBOTTYFM-SFTDATJTSA-N 331.459 5.435 0 40 EKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 8480348 HRCNHLZIVFQKGO-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@@H]3CC[C@@H]2C[C@]12CS2 12657222 NQUOVPHNWQLADQ-SUTVCERISA-N 334.569 5.122 0 40 EKAB O=C(N[C@@H](c1ccccc1)c1cccs1)[C@@H]1CCCc2ccccc21 12870823 RTTRGUQMEALPPF-CTNGQTDRSA-N 347.483 5.074 0 40 EKAB Cc1c(Cl)cccc1NC(=O)Cc1csc(-c2ccsc2)n1 12944747 IYZVRHLKHMPTRE-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 28539695 ZKZJTGKRMFGULF-CYBMUJFWSA-N 333.435 5.012 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)C1CCCCC1 30751649 IWDZMRXNYVPXJR-MRXNPFEDSA-N 325.905 5.002 0 40 EKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1 30860266 YIEZTYHZOZCKOW-XLIONFOSSA-N 339.479 5.153 0 40 EKAB c1ccc(CN2CCCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 72212225 DAPNVSWYTPGJIK-JOCHJYFZSA-N 344.458 5.601 0 40 EKAB O=[N+]([O-])c1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 114277986 VFWOGCBNSCFZGM-UHFFFAOYSA-N 335.146 5.242 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C)c(Cl)c2)c1 199713442 GDWDAPPKXZBQAF-UHFFFAOYSA-N 332.831 5.425 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c(C)c1 225657955 MJJXQXKYNFAHSM-KRWDZBQOSA-N 340.536 5.346 0 40 EKAB Cc1ccc(CNC(=S)c2ccccc2OCc2ccccc2)cc1 408575319 NTHGFWZFRATTLT-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB COc1ccc(-c2cc(C(=O)OCC(C)C)c3cc(C)ccc3n2)cc1 508143 BKDNKVPICNURMP-UHFFFAOYSA-N 349.430 5.032 0 40 EKAB O=C(Nc1ccc(F)cc1)N1c2ccccc2SC12CCCC2 1574644 ZGMFNAKKZBJTJA-UHFFFAOYSA-N 328.412 5.240 0 40 EKAB O=C(Cc1cccc2ccccc12)Oc1ccc(Cl)c2ccccc12 3294335 XRCXZLGTCSKABF-UHFFFAOYSA-N 346.813 5.795 0 40 EKAB CC(C)CCC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 3452302 SMEJRBZMXGNBGU-JKSUJKDBSA-N 340.511 5.237 0 40 EKAB CCCCCC[C@@H](O)CCCCCCCC[C@H](O)CCCCCC 4029049 UJIQVIQCOJRTLH-FGZHOGPDSA-N 342.608 6.770 0 40 EKAB biogenic C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 4301334 NTDBRNJTVVMTAD-BUVFEPMLSA-N 332.447 5.137 0 40 EKAB CCCCN(C(=O)CC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880840 URQJOSOIULSBKI-UHFFFAOYSA-N 345.512 5.046 0 40 EKAB Cc1ccc(SCCC(=O)Nc2ccc3sc(C)nc3c2)cc1 5191058 WWWIZTGDRSBSLB-UHFFFAOYSA-N 342.489 5.034 0 40 EKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1ccc(Cl)cc1 5376304 IQDPLIHISAQUOO-IAOVAPTHSA-N 340.916 5.436 0 40 EKAB Cc1ccc(C)c(C(=O)COc2ccc(Oc3ccccc3)cc2)c1 5950908 WXDDLXNHUNHNFH-UHFFFAOYSA-N 332.399 5.357 0 40 EKAB O=C(CCC(=O)c1cccs1)Nc1ccc(-c2ccccc2)cc1 6425584 GZKUXKXTYWKBDL-UHFFFAOYSA-N 335.428 5.017 0 40 EKAB Cc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)coc2c1C 6809902 IOUHLRRQHGOTRZ-UHFFFAOYSA-N 327.811 5.193 0 40 EKAB Clc1cccc(-c2nnc(SC/C=C/c3ccccc3)o2)c1 8394589 IWHDCFNWJONZOX-VMPITWQZSA-N 328.824 5.196 0 40 EKAB CCc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@@H]2c1ccco1 14607652 HQUAOAMNOXWFBO-MRXNPFEDSA-N 339.826 5.444 0 40 EKAB O=C(c1cccc(Br)c1)c1cc2cc(Cl)ccc2o1 20362833 ODIJJYHHMCJYNX-UHFFFAOYSA-N 335.584 5.080 0 40 EKAB C[C@@H](SCCCc1ccccc1)C(=O)Nc1ccccc1Cl 65591200 BFWACKMMIRULOW-CQSZACIVSA-N 333.884 5.033 0 40 EKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc2ncccc2c1 72221818 LILMBLSVECLSFD-NRFANRHFSA-N 346.430 5.099 0 40 EKAB CCn1c(-c2ccccc2)cs/c1=N/c1cccc2ccccc12 102626369 DALIEISLZXFPLE-QURGRASLSA-N 330.456 5.622 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225374014 WGKXLYQYIDIMJN-ZDUSSCGKSA-N 336.262 5.112 0 40 EKAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1Cl 225741241 ZIDLXKSQMDGVKO-GOSISDBHSA-N 341.879 5.053 0 40 EKAB COc1ccc(/C=C(/C(=O)Nc2ccccc2C)c2ccccc2)cc1 408922589 CLTKZBRRRIZGCP-LTGZKZEYSA-N 343.426 5.183 0 40 EKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4C=C(Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 1655982 FSOVIIOJSZNYCD-OLGWUGKESA-N 348.914 5.614 0 40 EKAB c1ccc2c3c(ccc2c1)CCC1CCc2ccc4ccccc4c2C31 1722267 ISILDLWQPFCXBZ-UHFFFAOYSA-N 334.462 6.634 0 40 EKAB O=c1sc2c(s1)S[C@@H]1CCCCCCCCCC[C@H]1S2 2082633 KTNLYTIAKNOAJY-VXGBXAGGSA-N 346.608 6.019 0 40 EKAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)C(F)(F)F 3382867 MYJMWNYCJHJEBP-UHFFFAOYSA-N 349.739 5.609 0 40 EKAB CCCCc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 3669679 ZKAZXCHLTQABQD-UHFFFAOYSA-N 338.476 5.069 0 40 EKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CC(Cl)=C(Cl)Cl)C2 4973978 INCZUJUVFSJFCB-PWZJLYFZSA-N 325.663 5.020 0 40 EKAB S=C(Nc1cccc2ccccc12)NC12CC3CC(CC(C3)C1)C2 6258190 CODTUCFEEBJUIK-UHFFFAOYSA-N 336.504 5.095 0 40 EKAB O=C(O)c1ccccc1S[C@H](C(=O)c1ccccc1)c1ccccc1 6885481 RQEQGCLYOWDZCC-FQEVSTJZSA-N 348.423 5.101 0 40 EKAB Clc1ccc2sc(SCc3cc(-c4ccco4)on3)nc2c1 8154011 YHCYLVWVJMSADY-UHFFFAOYSA-N 348.836 5.490 0 40 EKAB Cc1ccc(-n2c(SCc3c(C)noc3C)nc3ccccc32)cc1 8656839 KPECHEIUCBVZMI-UHFFFAOYSA-N 349.459 5.231 0 40 EKAB CC[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(C)cc1 14226544 LTBKSPLJMGDEQV-FQEVSTJZSA-N 335.447 5.168 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C 20493827 JYXURBXUMWUNDF-GOSISDBHSA-N 331.843 5.061 0 40 EKAB Cc1ccc(C2(C(=O)Nc3nc4ccccc4s3)CCCC2)cc1 30822827 JQULHWNHRMRRIK-UHFFFAOYSA-N 336.460 5.055 0 40 EKAB CC(C)[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 225184876 KDSBFFHFGGGVMI-CQSZACIVSA-N 347.911 5.407 0 40 EKAB CCCO[C@]1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCC[C@H](C)C1 225666133 OZMACSUJALIDKX-YCRPNKLZSA-N 347.499 5.016 0 40 EKAB COc1ccc2nc(Nc3cc(C(F)(F)F)ccc3F)sc2c1 228954119 QNDGGXFRBMXEHT-UHFFFAOYSA-N 342.317 5.206 0 40 EKAB COc1cc(C)c(-c2nc(O)c3c(C)c(C)sc3n2)cc1C(C)C 408734980 MGFHZHUHCZVBIY-UHFFFAOYSA-N 342.464 5.121 0 40 EKAB Cc1ccc(NC(=O)CCC(=O)c2ccc3cc(C)ccc3c2)cc1 408825354 BFJDKJZGNIQWQE-UHFFFAOYSA-N 331.415 5.058 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)[C@@H](CC)c3ccccc3)cc2)cc1 575359064 QQGPPDMZBAXVOF-DEOSSOPVSA-N 342.482 6.683 0 40 EKAB CCOCc1c(C(=O)Nc2cccc3c2CCCC3)oc2ccccc12 12934624 XAIJAZWPVCELAT-UHFFFAOYSA-N 349.430 5.100 0 40 EKAB CCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc12 15840730 SEKRCQTVRHPCEI-UHFFFAOYSA-N 348.446 5.183 0 40 EKAB Cc1cc2c(c(C)c1Cl)CN(CCc1ccc(Cl)cc1)CO2 19856926 IYVRRNAIWKHOOV-UHFFFAOYSA-N 336.262 5.005 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 20456645 JBQHURRARKLFMU-OAHLLOKOSA-N 340.275 5.503 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 22513096 BMFWGOIUPMYZMG-CRAIPNDOSA-N 345.870 5.011 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C(C)C)o2)cc1C 33772382 WHHRRWDJCDOTJN-UHFFFAOYSA-N 333.431 5.939 0 40 EKAB Clc1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)s1 84525692 ZANUVQKGWJMOEG-SFHVURJKSA-N 327.880 5.475 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1 225702269 CBWDELFMQONEGO-HXUWFJFHSA-N 335.488 5.035 0 40 EKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(Cl)cc2)cc1 225806191 IMJNDJWUGNDQCT-UHFFFAOYSA-N 346.927 5.383 0 40 EKAB COc1ccc(C(=O)[C@@H](C)Oc2ccc(Oc3ccccc3)cc2)cc1 3448858 VTPMIHPQJGRERD-MRXNPFEDSA-N 348.398 5.138 0 40 EKAB Cc1cccc(C)c1Nc1c(-c2ccccc2F)nc2cccc(C)n12 3909885 GJLCPSMZYMSUAF-UHFFFAOYSA-N 345.421 5.809 0 40 EKAB CCCC[C@@H](CC)CNC(=O)C1c2ccccc2Oc2ccccc21 4264983 QUBKAJJYTAKIEJ-MRXNPFEDSA-N 337.463 5.257 0 40 EKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 4666408 MWDDUNHGOIFPSH-CQSZACIVSA-N 345.870 5.289 0 40 EKAB CC(C)CC[C@H](CCNC1CCC(C)CC1)[C@H]1CCOC(C)(C)C1 5323783 CXPICRZSLAMVRH-YZDRJCRTSA-N 337.592 5.802 0 40 EKAB CCCC[C@@H](CC)COC(=O)CCC(=O)OC[C@H](CC)CCCC 5821778 WMNULTDOANGXRT-QZTJIDSGSA-N 342.520 5.286 0 40 EKAB Cc1cc(C(=O)CSc2nc3ccccc3s2)c(C)n1C1CC1 6061457 AWUGQWNTADZLFZ-UHFFFAOYSA-N 342.489 5.025 0 40 EKAB CC(C)CC[C@H](CCNCc1ccccn1)c1ccc(Cl)cc1 6662515 CPGFYXCUVMTLJF-GOSISDBHSA-N 330.903 5.435 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)c1 8729273 DYXMUNYHURDJCB-HXUWFJFHSA-N 348.471 5.171 0 40 EKAB C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN12 13302724 XAPJFQGEZHMFNL-KSFYIVLOSA-N 340.426 5.243 0 40 EKAB CCc1cccc(CC)c1NC(=O)CCSCc1ccccc1 13688061 VMDBTWLTAQDZMS-UHFFFAOYSA-N 327.493 5.073 0 40 EKAB Cc1ccc(F)c(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 13840271 SDLMVGDMBOMHJQ-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1C 14258244 KMNBVGRYLFZIJW-UHFFFAOYSA-N 344.625 5.216 0 40 EKAB Cc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Cl)cc1 22072288 NYQZJVIZAASPJI-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 22524366 LHEZUYZRWRBRNA-KRWDZBQOSA-N 347.414 5.193 0 40 EKAB COc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 26897012 YTXHHPOUUVVWGT-UHFFFAOYSA-N 326.399 5.215 0 40 EKAB CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(C)c1 57405861 OUJWBNZNBDYESI-UHFFFAOYSA-N 325.456 5.102 0 40 EKAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C 59351163 HWLPSQDQXJVWJT-MDNBWPLSSA-N 335.491 5.492 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 59351798 PAOWNFOZJUZBNE-SFTDATJTSA-N 339.479 5.037 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 113959335 ZGAYZLGLYUNIPG-GOSISDBHSA-N 331.843 5.260 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3cc(C)cc(C)c3)CCCC2)cc1 225842514 UVXLXSDYOLYAII-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1C 409112635 FLCALNQLFFTNIC-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 45824 WSVCORIKACUKOT-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1cc(C)cc(CSCC(=O)Nc2c(C)cccc2C(C)C)c1 564561 XWRPSDMRMYZLBU-UHFFFAOYSA-N 341.520 5.607 0 40 EKAB Fc1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)c(Cl)c1 1394400 JEYNOQYZGKCDTL-UHFFFAOYSA-N 340.741 5.475 0 40 EKAB C(=C/[n+]1cc(-c2ccccc2)cc(-c2ccccc2)c1)\c1ccccc1 1609526 QINOPOBZLLWFAN-WUKNDPDISA-N 334.442 5.936 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)cc1 1807192 CHZNSHWNURVYGU-UHFFFAOYSA-N 342.225 5.913 0 40 EKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2ccccc2c1 6124101 AMBLRYLXKIIFPN-UHFFFAOYSA-N 327.836 5.224 0 40 EKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)c2oc(-c3ccccc3)cc2c1 6472178 HWRHWHFDSOEEFE-UHFFFAOYSA-N 342.482 6.876 0 40 EKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1Cl 7062044 GNHLWBXZBAKTKA-LLVKDONJSA-N 347.846 5.128 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 10328716 DUNQKSKRIJMZQK-UHFFFAOYSA-N 339.523 5.002 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 15643291 ODKQFSFSTJFXGB-KRWDZBQOSA-N 331.415 5.068 0 40 EKAB CCOC1(OCC)[C@@H](C)[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C 16951233 CDDIJTDHKUJMOI-YHDSQAASSA-N 338.491 5.609 0 40 EKAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1cccc2ccccc12 24041911 FQRFAKVDPPSCQU-GFCCVEGCSA-N 327.786 5.123 0 40 EKAB CSc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 26897241 ONUQNWNEUXWCQG-UHFFFAOYSA-N 342.467 5.928 0 40 EKAB C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 38201047 SKSOMRHTXHIGIB-UCKGLPGESA-N 342.523 5.827 0 40 EKAB O=C(CCNc1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 55142451 HLXFOHSKLPOSQF-UHFFFAOYSA-N 335.850 5.067 0 40 EKAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 57316201 NKJOAVDMEUFYKE-UHFFFAOYSA-N 325.452 5.089 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 64982237 MRMIOZHJLOZVLQ-OAHLLOKOSA-N 345.870 5.397 0 40 EKAB Cc1cccc(Cl)c1NC(=O)c1ccc(SC(F)F)cc1 76092254 LURLYBQLCJQUKI-UHFFFAOYSA-N 327.783 5.215 0 40 EKAB C/C=C/c1ccc(O[C@@H](C)c2nc3c(C)cc(C)cc3[nH]2)c(OC)c1 82087032 XQFADPXFAQOAMR-LFAOLKIESA-N 336.435 5.361 0 40 EKAB FC(F)(F)C1=Nc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1 31932 PDJGRNYTDBNKCU-UHFFFAOYSA-N 345.151 5.780 0 40 EKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cccc(Cl)c1 574188 XGZLHVMCQGQHMO-UHFFFAOYSA-N 347.846 5.050 0 40 EKAB CCN(CC)CCCN(c1ccccc1)c1ccc2ccccc2n1 1706860 SHRCHQMNQUITOL-UHFFFAOYSA-N 333.479 5.105 0 40 EKAB Cc1cc(C)c(C(=O)CSc2nc3ccccc3s2)cc1C 3503856 JGGBJIYMYCTFOV-UHFFFAOYSA-N 327.474 5.197 0 40 EKAB c1ccc(C2=NN(c3ccccc3)[C@H]3c4cccc5cccc(c45)[C@H]23)cc1 4419427 XSXSETQIICAJFQ-NOZRDPDXSA-N 346.433 5.903 0 40 EKAB Clc1ccc(CSc2nnc(/C=C/c3ccccc3)o2)cc1 6222602 QOCQVHCUURVWIN-DHZHZOJOSA-N 328.824 5.186 0 40 EKAB CC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 6238658 ZNTMJTJFMBRPBA-UHFFFAOYSA-N 339.247 5.005 0 40 EKAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(-c2ccccc2)cc1 6618470 CJUHPJFPJCFKDZ-XDHOZWIPSA-N 331.802 5.500 0 40 EKAB O=C(CCSCc1ccccc1)Nc1cc(Cl)cc(Cl)c1 7685855 SMFXMNPDIAOSEF-UHFFFAOYSA-N 340.275 5.255 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cc(Cl)cc(Cl)c1 13788219 LMFYOJJMYSLCBP-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB Cc1ccc([C@@H](NC(=O)Cc2ccc(C)c(C)c2)c2ccccc2)cc1 22513303 HCIYLXCIHBZUNO-DEOSSOPVSA-N 343.470 5.060 0 40 EKAB COc1ccccc1NC(=O)CCc1ccc(-c2ccc(C)c(C)c2)o1 33027702 JEJXTVDCRPSOEZ-UHFFFAOYSA-N 349.430 5.143 0 40 EKAB CC(=O)c1c(C)cc(C)c(CSc2nc3ccccc3o2)c1C 36626514 CKSRNDGFMJGJQW-UHFFFAOYSA-N 325.433 5.248 0 40 EKAB Cc1ccc(C)c([C@@H](C)NCC(=O)Nc2c(C)cccc2C(C)C)c1 57456767 YAFFIAHOANXRDH-GOSISDBHSA-N 338.495 5.025 0 40 EKAB c1ccc(CN2CCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 72214068 CCWSAPHHUAIIKH-NRFANRHFSA-N 329.447 5.162 0 40 EKAB Cc1ccc2ccccc2c1C(=O)c1ccc(Br)cc1 160827408 OJZMSWZTGOIPIE-UHFFFAOYSA-N 325.205 5.142 0 40 EKAB CC(C)(C)c1cc(-c2nc3ccccc3s2)cc(C(C)(C)C)c1O 165916444 JHBRDYLDXSUMNM-UHFFFAOYSA-N 339.504 6.264 0 40 EKAB O=C(CCc1cccc2ccccc12)Nc1ccc(F)c(Cl)c1 222664826 MBTSAVCSXBMDCZ-UHFFFAOYSA-N 327.786 5.204 0 40 EKAB Cc1ccc([C@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)c(C)c1 225866483 CMOVOCJDPKUBLJ-HSZRJFAPSA-N 343.470 5.440 0 40 EKAB Cc1cc(-c2ccccc2)c2c(N)c(C(=O)c3ccccc3)sc2n1 349114 YEKATZMGKNVOEQ-UHFFFAOYSA-N 344.439 5.085 0 40 EKAB Oc1ccc(Cl)cc1-c1nc(S)nc(-c2ccccc2)c1Cl 1855316 LDQJDMZIZVJLRV-UHFFFAOYSA-N 349.242 5.112 0 40 EKAB O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccc(Cl)cc1 2576844 YMDOUFPYUBAQBS-UHFFFAOYSA-N 348.785 5.486 0 40 EKAB biogenic O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 2740359 QHCHJOSAXIWUST-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 2749266 LOUHVJYPMYYHAI-XSFVSMFZSA-N 347.845 5.828 0 40 EKAB CCOc1cc(CN[C@H](C)CC)cc(Cl)c1OCc1ccccc1 8325910 MRHBYLWYUOAWKM-OAHLLOKOSA-N 347.886 5.206 0 40 EKAB Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 12195017 FAPJNWPAOVBJEE-WIYYLYMNSA-N 346.455 5.299 0 40 EKAB CN(C(=O)c1ccccc1)[C@H](c1ccccc1)c1c[nH]c2ccccc12 15670854 BADJSIINBZIQES-JOCHJYFZSA-N 340.426 5.030 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn23)c1 35616278 UYBOSSUCOSQJBG-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB Cc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1 39892988 RBRHOCHWAQQURP-UHFFFAOYSA-N 327.811 5.193 0 40 EKAB Fc1ccc(SCc2cccc(Br)c2)cc1Cl 95733274 OBRNEIVUUYQXAC-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB CCCCc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1 95916135 PSPYLAMKHSVXRV-UHFFFAOYSA-N 331.253 5.331 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@@H]2CCC[C@@H]1C2c1ccccc1 100547432 IKCGIWILPRYZKB-FDIHYXAFSA-N 341.454 5.608 0 40 EKAB COc1ccc(-c2c/c(=N\c3ccccc3)c3cc(C)ccc3o2)cc1 101268580 LTNFGBDLIDIUFI-DARPEHSRSA-N 341.410 5.649 0 40 EKAB Cc1ccc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)cc1 219849251 XJJPGAHYOOMIRO-UHFFFAOYSA-N 344.458 5.003 0 40 EKAB C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C(C)(C)C)cc1 225229455 LVMSEXZUOHPQTG-SFHVURJKSA-N 349.518 5.673 0 40 EKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc2ccccc2c1 343153 WCDXKLCBLUQIAZ-UHFFFAOYSA-N 341.863 5.365 0 40 EKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1Cl 568591 YHCUTCUJULUDAQ-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(Cl)c1)c1ccccn1 1463026 PQOSCKPYKZJOAU-OAQYLSRUSA-N 347.849 5.726 0 40 EKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\Cc3cccnc3)c2c1 1892445 JXOPMXQYUKFKSN-NJNXFGOHSA-N 340.426 5.158 0 40 EKAB CC(=O)CC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2097729 OMUMQXPIWUEEEG-PSDOWTQXSA-N 330.556 6.881 0 40 EKAB COc1ccccc1Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 3347403 XGBPUZLDMSIPHG-UHFFFAOYSA-N 335.432 5.352 0 40 EKAB CC(C)CC[C@@H](CCN1Cc2ccccc2C1)[C@@H]1CCOC(C)(C)C1 4090126 USBHRYGJIWUWPF-VQTJNVASSA-N 343.555 5.650 0 40 EKAB biogenic Cc1c(-c2ccccc2)c(=O)oc2cc(OCc3ccccc3)ccc12 4340360 NZPXDMQJDKGENK-UHFFFAOYSA-N 342.394 5.347 0 40 EKAB biogenic Cc1ccc(C)c(OCCCCCCOc2cc(C)ccc2C)c1 4472849 WVNGEAYZTILHJD-UHFFFAOYSA-N 326.480 5.938 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccc2c3c(cccc13)CC2 7572837 JDMZBTVOPOHYHH-UHFFFAOYSA-N 333.456 5.303 0 40 EKAB Cc1cc(C)c(NC(=O)c2cccc(OCc3ccccc3)c2)c(C)c1 7668465 XMKWMEXGQFEYFF-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB CC1=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@@H](c2ccco2)C1 8570237 VAAGMIXZJXWIRO-OAHLLOKOSA-N 325.799 5.190 0 40 EKAB Cc1cc(OCCNc2cc(Cl)ccc2Cl)ccc1Cl 19738051 NSVKWOMCCRYIGL-UHFFFAOYSA-N 330.642 5.446 0 40 EKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccccc1 33727092 QLHHNNYOWUPUDM-UHFFFAOYSA-N 345.486 5.715 0 40 EKAB CCCCCCc1csc(-c2cc(CCCCCC)cs2)c1 34579743 RYQPWKFBXWPBGB-UHFFFAOYSA-N 334.594 7.722 0 40 EKAB in-vitro CCC(=O)Nc1c(C(=O)Cc2c(C)cc(C)cc2C)oc2ccccc12 68603810 FJECYVOHZFCFDY-UHFFFAOYSA-N 349.430 5.132 0 40 EKAB Brc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)cc1 85345309 PUEVDQDYSHBEFB-UHFFFAOYSA-N 339.192 5.252 0 40 EKAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc12 216399680 HBYKUHDRJQEWBS-IBGZPJMESA-N 349.430 5.035 0 40 EKAB O=C(Nc1cccc2ccccc12)N[C@H]1CCCC[C@@H]1Cc1ccco1 494507 JQZFQBRHCLMOBB-XLIONFOSSA-N 348.446 5.356 0 40 EKAB Clc1ccccc1-c1nc2nc3ccccc3nc2n1C1CCCC1 539851 ZFMBKKWLISAHOM-UHFFFAOYSA-N 348.837 5.415 0 40 EKAB Cc1cc2sc(-c3ccc(NC(=O)C(C)C)cc3)nc2cc1Cl 569307 PUUMDDPYGVGSCK-UHFFFAOYSA-N 344.867 5.520 0 40 EKAB CCCCN(CCCC)C[C@H](O)c1cc(Cl)c(Cl)cc1C 1591903 MUIYBHKUNWBBCC-KRWDZBQOSA-N 332.315 5.237 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 3383262 MZHZERADKDISLJ-SNVBAGLBSA-N 326.248 5.113 0 40 EKAB O=C(CCC1CCCCC1)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138175 WCQVYQYKVYRAOP-UHFFFAOYSA-N 338.495 5.023 0 40 EKAB Cn1c(-c2cccc(Cl)c2)cn2cc(-c3ccc(Cl)cc3)nc12 4678336 OGTIJINKXDVOTC-UHFFFAOYSA-N 342.229 5.314 0 40 EKAB CCCSc1c(-c2ccc3ccccc3n2)cnc2ccccc12 4819745 VVQQWSLDVHMIEZ-UHFFFAOYSA-N 330.456 5.952 0 40 EKAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 6343210 SATVNPHGZKVICR-MRXNPFEDSA-N 349.861 5.349 0 40 EKAB Fc1ccccc1[C@@H]1CC(c2cccs2)=Nc2ccccc2S1 6756847 HHHRWLQLBQPXRL-IBGZPJMESA-N 339.460 6.245 0 40 EKAB Cc1ccc(NC(=O)[C@@H](SC2CCCC2)c2ccccc2)cc1 7777246 NVGMZXMVDATPPA-IBGZPJMESA-N 325.477 5.351 0 40 EKAB O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc(C2CCCCC2)cc1 9190748 DJDRSALGLMBNPS-NRFANRHFSA-N 334.415 5.219 0 40 EKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\c3nccs3)c2c1 12374232 LZHAASWQLSQANP-RCCKNPSSSA-N 338.819 5.442 0 40 EKAB Cc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3Cl)nc2c1 14257904 IVAHYTYCOPXFBA-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB CCCc1nnc(-c2cc3ccccc3n2Cc2cc(C)ccc2C)o1 15881470 UOMXUSZEKZVNKF-UHFFFAOYSA-N 345.446 5.309 0 40 EKAB C[C@@H](CCc1ccccc1)NC(=O)c1sccc1-c1ccccc1 32999955 YUYBUFKKILXKLX-INIZCTEOSA-N 335.472 5.166 0 40 EKAB COc1ccc2cc([C@H](C)C(=O)Nc3c(C)cccc3C)ccc2c1 68755457 HODGTDNBLFECDJ-INIZCTEOSA-N 333.431 5.207 0 40 EKAB C/C=C/c1ccc(O[C@@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 76556300 JHHPATYERRVIRJ-LFAOLKIESA-N 336.435 5.361 0 40 EKAB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 78457799 BXNJQLPWRMCLHF-STRFDMGBSA-N 348.273 5.446 0 40 EKAB C[C@]1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CS1 118918205 QOPVNDPJLOUFPN-RVDICAHYSA-N 346.580 5.432 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3c(Cl)cccc3Cl)nc2c1 199797408 PAGDMZNJBSCLRA-UHFFFAOYSA-N 334.246 6.023 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cccc(C)c1C 216393065 LIODGEIFPWSFHC-IBGZPJMESA-N 339.479 5.224 0 40 EKAB Clc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 216914355 AVALWDGNIVHWTR-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB CC(C)(C)c1ccccc1O[C@H](Cc1cccc2ccccc12)C(=O)O 225048257 HLDPSOMTVYXINX-OAQYLSRUSA-N 348.442 5.212 0 40 EKAB Cc1ccc2c(c1)[C@H]1O[C@@H](Cc3ccc(F)cc3)CC[C@@H]1C(C)(C)O2 257293985 QRYRHQVUFXUOKR-SLYNCCJLSA-N 340.438 5.384 0 40 EKAB CC(C)OCC(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 390823094 SHVQTFPYPAZDCM-UHFFFAOYSA-N 346.854 5.153 0 40 EKAB CCCN(Cc1ccccc1)C(=O)Nc1ccc2sc(C)nc2c1 408980829 YECYZXQXRPDQGN-UHFFFAOYSA-N 339.464 5.049 0 40 EKAB Cc1c(NC(=O)c2ccccc2)cccc1-c1nc2ccccc2o1 105940 DLKFRGFHWHRXGO-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CCCc1cc2c(=O)c(-c3cc4ccccc4o3)c(C)oc2cc1OC 178270 CPHRUBWVJPBLCU-UHFFFAOYSA-N 348.398 5.476 0 40 EKAB biogenic O=C(Nc1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CC1 2664710 ICELVQAFHJBGPT-UHFFFAOYSA-N 339.744 5.029 0 40 EKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@H]2CCC[C@@]1(C)NCc1ccccc1 4428482 MMVNVYJRDHSDSD-CCDWMCETSA-N 347.546 6.188 0 40 EKAB CCCC[C@H](CC)CCC(CC[C@@H](CC)CCCC)S(=O)(=O)O 4428845 OVFSRTCHWHAQPF-ROUUACIJSA-N 348.593 6.236 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 6232076 HBOOXMSGPZIEQR-GOSISDBHSA-N 345.895 5.016 0 40 EKAB COc1ccc(C)cc1NC(=O)c1cccc(Oc2ccccc2)c1 6395575 NTLTXZHYNWUMKU-UHFFFAOYSA-N 333.387 5.048 0 40 EKAB Clc1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 6757339 CQRCHVILXSKUJO-LJQANCHMSA-N 339.847 6.291 0 40 EKAB S=C(Nc1ccc(Cl)cc1Cl)NC1CCCCCCC1 13818532 JIZRGFSHNDQMPQ-UHFFFAOYSA-N 331.312 5.393 0 40 EKAB Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl 19927266 XVGWHCDNPLRHGF-MRXNPFEDSA-N 338.259 5.080 0 40 EKAB CCCCOc1ccccc1NC(=O)c1ccc2ccccc2c1OC 20594851 VJHOZLMXVRPFSX-UHFFFAOYSA-N 349.430 5.280 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2cccc(Cl)c2)c2ccccc2)cc1 21085279 GXCDWBXSFZZXOL-FQEVSTJZSA-N 335.834 5.168 0 40 EKAB O=C(Nc1cccc2c1Cc1ccccc1-2)c1ccc2ccccc2n1 28628412 FCZXKAIPDFEMTG-UHFFFAOYSA-N 336.394 5.058 0 40 EKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(C)cc2)cc1 44085504 FAXYMWRRIQCZHG-UHFFFAOYSA-N 348.515 6.191 0 40 EKAB Brc1ccc2nc(-c3cccc4ccccc34)sc2c1 73639178 BGYXXJRPNNUNFG-UHFFFAOYSA-N 340.245 5.879 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)c1 113934984 JSNGOPVVFZTUKY-GJZGRUSLSA-N 347.911 5.315 0 40 EKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1 408581528 XQFBXAKDKVEUNV-UHFFFAOYSA-N 340.423 5.072 0 40 EKAB Clc1ccccc1-c1nn2cc(-c3ccccc3)c3c2n1CCCC3 521052 ZRNKSLSKNSXNDF-UHFFFAOYSA-N 347.849 5.460 0 40 EKAB Cc1cc(C)c2c(CC(=O)Nc3c(Cl)cccc3Cl)coc2c1 1105736 AXJJNODSRBCTBQ-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB O=C(Nc1ccccc1Cl)N(C1CCCCC1)C1CCCCC1 1738914 KLISHXJGSLIHGD-UHFFFAOYSA-N 334.891 5.839 0 40 EKAB c1ccc(-c2nc(Nc3cccc4ccccc34)c3ccccc3n2)cc1 1745098 UHWDXFWOPXUHPG-UHFFFAOYSA-N 347.421 6.194 0 40 EKAB Clc1ccccc1CSc1ncnc2sc3c(c12)CCCC3 2074156 VGIADNBGLLKZHW-UHFFFAOYSA-N 346.908 5.516 0 40 EKAB O=C(c1c2oc(-c3ccccc3)ccc-2c2ccccc12)C(F)(F)F 4335501 SDTUTJULSQZZPM-UHFFFAOYSA-N 340.300 5.950 0 40 EKAB 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340.507 6.148 0 40 EKAB O=C(c1ccc2ccccc2n1)N(C1CCCCC1)C1CCCCC1 1593634 NBFISBYUHJLCPW-UHFFFAOYSA-N 336.479 5.342 0 40 EKAB O=C(CCc1cccc(Br)c1)c1ccc(Cl)c(F)c1 2516720 TVUPZLKYSDZDAJ-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(Cl)cc1Cl 5670336 BTFWPYAOWUNKKC-FNORWQNLSA-N 344.600 5.438 0 40 EKAB CC(C)Oc1ccc(Br)cc1-c1nc2ccccc2s1 6345926 DALZIYBMTKVLPP-UHFFFAOYSA-N 348.265 5.513 0 40 EKAB Cc1ccc(N[C@H](C)c2nnc(-c3ccccc3)o2)cc1C(F)(F)F 9364561 HZDWCQWHUIQEGB-GFCCVEGCSA-N 347.340 5.237 0 40 EKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 14399921 HHEPMMXCTHEHRM-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3)o2)cc1Cl 16346816 KNPZFJPBLGQSAN-ZRDIBKRKSA-N 337.806 5.560 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2C)cc1 19945467 UOFVEFNYDOFXMB-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)o2)cc1C 20196933 BCXMWHIISOTANV-UHFFFAOYSA-N 344.867 5.223 0 40 EKAB CCc1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 20491995 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343.492 5.212 0 40 EKAB Cc1cc2occ(CC(=O)Nc3ccc(F)cc3)c2c(C)c1Cl 39892992 IIWANBWDKGMJTK-UHFFFAOYSA-N 331.774 5.023 0 40 EKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 59795557 AKPDTVXDGVFFNN-UHFFFAOYSA-N 329.856 5.090 0 40 EKAB Cc1cc(N)cc2nc(-c3cc(Cl)c(Cl)c(Cl)c3)oc12 70461476 GCVUTSZJALYUFW-UHFFFAOYSA-N 327.598 5.346 0 40 EKAB O=C1O/C(=C\Nc2ccc(Oc3ccccc3)cc2)c2ccccc21 100438654 FKDRBDCNSHTDTO-ZHZULCJRSA-N 329.355 5.060 0 40 EKAB aggregator COc1ccc(/N=c2/cc(-c3ccccc3)oc3ccccc23)cc1 104256715 YAMQSVNNXBFKHG-ATJXCDBQSA-N 327.383 5.341 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1 216402351 UHBQFTZEXJOBJC-LJQANCHMSA-N 339.822 5.289 0 40 EKAB CCSc1ccccc1NC(=O)c1ccccc1SC(C)C 219655917 XPALUXNSPDILQV-UHFFFAOYSA-N 331.506 5.551 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2cccc(Cl)c2)C(C)C)c(C)c1 225763375 FVPRJHVMLRFQIB-GOSISDBHSA-N 346.927 5.641 0 40 EKAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(Cl)cc3C)c2c1 144095 LZXCIHOWTFQEEZ-UHFFFAOYSA-N 340.810 5.035 0 40 EKAB Cc1cc(OC(=O)c2cc(Cl)nc3ccccc23)ccc1Cl 482340 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QFPJLXPWQSQZER-SFHVURJKSA-N 345.442 5.376 0 40 EKAB Cc1nc(/C=C/C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cs1 12230029 TVKWYEWMBOZPKD-LHNRBYRGSA-N 348.471 5.009 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)CSCc1cccc(C)c1 12881978 FQHLZBHQECJFSJ-INIZCTEOSA-N 327.493 5.380 0 40 EKAB C[C@@H](NC(=S)Nc1ccccc1F)c1ccc(C(C)(C)C)cc1 13774750 CCHPZJGINHLEOU-CYBMUJFWSA-N 330.472 5.171 0 40 EKAB Cc1ccc(F)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1 13840387 NRITVEZSYPILRL-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1CC[C@H]2CCCC[C@@H]2C1 16385486 NVRAZDDCGFQUMS-BZPMIXESSA-N 342.266 5.901 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(C)C 22509199 CMLGEWWYYQBTMP-QGZVFWFLSA-N 331.843 5.260 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1C 22526091 IOKLMVSVLHYCIU-KRWDZBQOSA-N 333.884 5.466 0 40 EKAB C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCC2 39978528 WYYVNBXUQFZPBH-GFCCVEGCSA-N 348.273 5.363 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1cccc(Oc2ccccn2)c1 96122667 QNOPSBYNKLLSRW-UHFFFAOYSA-N 338.794 5.088 0 40 EKAB Cc1cc(Cl)c2[nH]c(C(c3ccccc3)c3ccccc3)nc2c1 216912175 PTGCLIYWYNWBRF-UHFFFAOYSA-N 332.834 5.705 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 225344371 DBGCPDGUTFFESV-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCC)cc3)cc2)CC1 253497121 ONKZZKBVESXVHY-HCGLCNNCSA-N 348.574 8.160 0 40 EKAB Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCCCCF 299817312 SVBIXYNVVDXJGW-UHFFFAOYSA-N 343.486 5.954 0 40 EKAB in-vitro Cc1sc2ncnc(N3CCCCC3)c2c1-c1ccc(Cl)cc1 351685 IDCWDGRLSFRTEZ-UHFFFAOYSA-N 343.883 5.310 0 40 EKAB Cc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1C 385369 NVMNCLQTOMCPMN-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Cc1ccccc1NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 385386 JAZJXHCJXAKHIZ-MRXNPFEDSA-N 333.406 5.543 0 40 EKAB CC1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 559726 FNBKFHUVAWNUKB-UHFFFAOYSA-N 336.479 5.299 0 40 EKAB CC(C)C[n+]1c(C(C)(C)C)csc1Nc1ccc(F)c(Cl)c1 2557555 HIZIPTORURLSFK-UHFFFAOYSA-O 341.903 5.525 0 40 EKAB c1ccc(Cc2nc3ccccc3n2Cc2cccc3ccccc23)cc1 2695531 QWEHHKUENROPDP-UHFFFAOYSA-N 348.449 5.829 0 40 EKAB Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)c2ccccc2)cc1 4129662 LKRWJNHMBTZMMV-UHFFFAOYSA-N 349.455 5.157 0 40 EKAB CCc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 4137702 ZSJLLBDOYCTUAN-UHFFFAOYSA-N 329.425 5.351 0 40 EKAB CCc1nc(Sc2ccccc2)c2c3c(sc2n1)CCCC3 4141474 INZHTBOWFRIPAD-UHFFFAOYSA-N 326.490 5.284 0 40 EKAB Cc1ccc(C)c2c1[C@H](c1ccccc1)N(N=O)[C@H]2c1ccccc1 4962275 WJUAOAVJNBDDAJ-VXKWHMMOSA-N 328.415 5.479 0 40 EKAB O=C(O)c1ccc(/C=C/c2nc(-c3ccc(Cl)cc3)cs2)cc1 7141292 SXCIOOIIVCYAJI-XCVCLJGOSA-N 341.819 5.332 0 40 EKAB CCOc1ccc(Cl)cc1CNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 8324486 JRRNILBJWSZGFJ-LVBDODCMSA-N 347.930 5.577 0 40 EKAB CC(C)(C)C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 14257871 WBEZPPZXYASNLL-UHFFFAOYSA-N 344.867 5.601 0 40 EKAB Cc1c(Cl)cccc1NC(=O)Nc1ccc(Cl)cc1Cl 16250019 GMBFBYSMDKIITG-UHFFFAOYSA-N 329.614 5.599 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 16385477 NVRAZDDCGFQUMS-OUCADQQQSA-N 342.266 5.901 0 40 EKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20456679 PZEAXQCQMKZSCI-JXFKEZNVSA-N 339.479 5.019 0 40 EKAB Cc1cccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 27584533 ADDFTGBSXPAORJ-UHFFFAOYSA-N 325.408 5.043 0 40 EKAB O=C(/C=C/c1cccc2ccccc12)N(Cc1cccs1)C1CC1 30302048 VRGOJODLFRZZBR-JLHYYAGUSA-N 333.456 5.106 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 40913158 OQNLRKVCXRLHGY-HZPDHXFCSA-N 339.907 5.057 0 40 EKAB Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2c1CCC2 41104972 DRFLHEAWWGCTKO-UHFFFAOYSA-N 326.484 5.105 0 40 EKAB Cc1ccccc1[C@@H]1CCCN1Cc1nc(-c2ccccc2)oc1C 58419667 BGMJSOJQSCTYOG-NRFANRHFSA-N 332.447 5.296 0 40 EKAB Clc1ccc(Cl)c(CSc2nccn2Cc2ccccc2)c1 59497752 QADNYJXAULZFAD-UHFFFAOYSA-N 349.286 5.531 0 40 EKAB Fc1ccccc1COc1ccc(Cl)cc1CNc1ccccc1 107039495 ULPHVFQNVZNMEZ-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 222950662 MFWOYGJEFGBHLE-OAHLLOKOSA-N 345.870 5.486 0 40 EKAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223467619 QAVXVSRSWAFGPA-KRWDZBQOSA-N 347.458 5.265 0 40 EKAB CC(C)=CCC[C@@]1(C)C=Cc2c(cc(C)n(Cc3ccccc3)c2=O)O1 257273619 NHLHADAHHVHZAS-QHCPKHFHSA-N 349.474 5.116 0 40 EKAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(Cl)cc12 57972 XUTMAUMFMYWWGM-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB biogenic CCCCCCc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4 2093443 XWFPOBFXUZHIPX-UHFFFAOYSA-N 338.447 5.849 0 40 EKAB biogenic Cc1ccccc1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 3257778 WOKJCXBLTHOXQN-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2ccccc2c1 3323101 FOKIXITXZIJWJY-IAGOWNOFSA-N 346.474 5.792 0 40 EKAB CCCCC/C=C\C/C=C/CCCCCCCC1=N[C@@](C)(CO)CO1 4683545 NYSIRRGURPKWBW-JQQBDZFASA-N 349.559 5.980 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C 5577976 XNFHMFSARGODDJ-UHFFFAOYSA-N 325.795 5.063 0 40 EKAB CC(C)(C)C(=O)C[C@H](Cc1nccc2ccccc12)c1ccccc1 13214623 ATSWTCNBJBUDFF-IBGZPJMESA-N 331.459 5.566 0 40 EKAB CC1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OC(=O)C[C@@H]3C[C@@]21C 17060425 HFUSQUPYZTVTFP-LAGIZZMDSA-N 328.496 5.271 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C(C)C)cc1 19933389 AUYKEUAHIDLYFG-LJQANCHMSA-N 325.452 5.223 0 40 EKAB FC(F)(F)c1cccc(-c2cc3ccccc3nc2N2CCCC2)c1 36378223 UEIYVLXALVWVFK-UHFFFAOYSA-N 342.364 5.521 0 40 EKAB CC(C)(C)Sc1ncccc1[C@H]1CCCN1Cc1ccccc1 72217411 UGINUHKGSSMCCW-GOSISDBHSA-N 326.509 5.309 0 40 EKAB Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(Cl)c1 73638479 JFFAKHVIGUAZTM-UHFFFAOYSA-N 337.231 5.043 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c(Cl)cccc1Cl 78529204 WPIRVDLASFJNOB-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccsc2)c2ccccc21 102844110 PHWWRFMUZQTYAF-HXUWFJFHSA-N 347.464 5.999 0 40 EKAB CCCOC1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCC(C)CC1 225669877 SBSVZHPLCSUZKC-UHFFFAOYSA-N 347.499 5.016 0 40 EKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCC[C@H](C)C1 260816747 PQBLOMQJYJVMDX-CSODHUTKSA-N 347.499 5.178 0 40 EKAB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 408734495 UVWXVPORVDRQHY-UHFFFAOYSA-N 346.470 5.416 0 40 EKAB FC(F)(F)c1nc2ccccc2n1Cc1ccc2ccccc2c1 99475 SGSAXBNRYKCMKS-UHFFFAOYSA-N 326.321 5.257 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1Cl 167309 DKEDPJPTHWZJFI-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB CC(C)Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2268138 TWQIZIGQORPFOT-UHFFFAOYSA-N 332.234 5.424 0 40 EKAB Clc1ccc(Cc2ccc(Sc3ccccc3)nn2)c(Cl)c1 3052141 ARZNQNCIEWOEFU-UHFFFAOYSA-N 347.270 5.525 0 40 EKAB Cc1ccccc1NC(=S)Nc1cccc(Oc2ccccc2)c1 3256050 DCGRKXPYAVGEBS-UHFFFAOYSA-N 334.444 5.596 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1C1=NN[C@H](c2ccc(C)cc2)C1 5781403 IVHGRJLOIFPLRO-INIZCTEOSA-N 349.261 5.139 0 40 EKAB biogenic COc1ccc2ccccc2c1CNC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 8534500 MAIZXEJVYXLDKK-MDQWUCQQSA-N 349.518 5.687 0 40 EKAB Cc1cccc(C(=O)N(Cc2cccc(Cl)c2)Cc2ccco2)c1 8917683 JUWAPXZBWVUFNO-UHFFFAOYSA-N 339.822 5.084 0 40 EKAB Cc1cc(-c2csc(NC3CC3)n2)c(C)n1CCC1=CCCCC1 12700063 SWDKLTQVWPCWJO-UHFFFAOYSA-N 341.524 5.693 0 40 EKAB C[C@H]1C[C@H](C)CN(C(=O)N2c3ccccc3Sc3ccccc32)C1 13574343 NGGPJPOYDLNDLC-GJZGRUSLSA-N 338.476 5.387 0 40 EKAB O=C1c2ccccc2[C@H](c2c[nH]c3ccccc23)N1C1CCCCC1 13942298 QBFCXWCZTRKKOV-OAQYLSRUSA-N 330.431 5.046 0 40 EKAB CCCOc1ccc(NCCOc2ccccc2[C@H](C)CC)cc1 19738168 XSCBKAGVVKRZEC-QGZVFWFLSA-N 327.468 5.480 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 26124119 MEENGJDALJJPQM-OAHLLOKOSA-N 341.760 5.240 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 44881010 XOQGTTBLXVSWAS-FQEVSTJZSA-N 339.479 5.442 0 40 EKAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1ccccc1 84525493 UBAQXCZTTIMTFW-SFHVURJKSA-N 335.378 5.063 0 40 EKAB CC(C)(NCc1csc(-c2ccoc2)n1)c1ccc(Cl)cc1 95953667 JDPCICGLDWGJOR-UHFFFAOYSA-N 332.856 5.081 0 40 EKAB Cc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 216368284 AAXLYUMMVJSFMW-DTKKNGCVSA-N 341.454 5.222 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCCC1 222926178 SFOYXXJTIUCYPH-HXUWFJFHSA-N 345.527 5.371 0 40 EKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C)c1 225616151 OVKGCLPGRQMWMS-UHFFFAOYSA-N 349.515 5.198 0 40 EKAB CCc1ccccc1NCc1ccccc1OCc1ccc(C)cc1 409121291 YZELMUVMVWZPHA-UHFFFAOYSA-N 331.459 5.749 0 40 EKAB C/C=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2049238313 FGSFYZNXYHDZKI-UBRRTILHSA-N 344.539 5.907 0 40 EKAB Cc1nc2c3cc(Cl)ccc3n(CCc3ccccc3)c2s1 2353072 NTNVWDQVDNHTMP-UHFFFAOYSA-N 326.852 5.456 0 40 EKAB CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccc(Cl)cc1Cl 2360002 IRRKWCDEEHLPJH-ZDUSSCGKSA-N 341.171 5.027 0 40 EKAB C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 3416994 VYNCMUCZHHZJLJ-ZJUUUORDSA-N 346.502 5.195 0 40 EKAB CCOc1ccc2nc(SCc3ccc(Cl)cc3)c(C)cc2c1 4126689 ZGVWGBAZQRMZLE-UHFFFAOYSA-N 343.879 5.888 0 40 EKAB Clc1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1 5547704 VYMOFHYGOOOJDZ-UHFFFAOYSA-N 332.834 5.599 0 40 EKAB CC1=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@H](c2ccco2)C1 8570236 VAAGMIXZJXWIRO-HNNXBMFYSA-N 325.799 5.190 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708338 ZWKSFQSOPKYCIZ-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1 20490683 HXAXHHOFUILFGC-QFIPXVFZSA-N 345.442 5.243 0 40 EKAB Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccco3)c(C)c2c1 28231952 BBPKNYXJJJHXLK-UHFFFAOYSA-N 349.386 5.078 0 40 EKAB CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C 34206301 LOIJVPAEVNFVAS-CNZFTSBDSA-N 344.495 5.052 0 40 EKAB in-vitro FC(F)(F)c1ccc2ccc(Oc3nc4ccccc4o3)cc2n1 48354384 ZNUVOMAUFULCTN-UHFFFAOYSA-N 330.265 5.187 0 40 EKAB Cc1cnccc1CN[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCCC[C@H]21 57774238 SOQVDBIFFLBOBP-XRXFAXGQSA-N 340.898 5.105 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 86064043 QFEHNMKROHXPFO-GFLQDLJJSA-N 338.532 6.061 0 40 EKAB CCOc1cccc(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)c1 101014670 YHVBPWDIKMYBAV-NRFANRHFSA-N 343.426 5.090 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1)c1ccc(C)c(C)c1 219597157 JZRWPBZGJFITCC-LEWJYISDSA-N 339.479 5.037 0 40 EKAB O=C(NCc1cc(-c2ccoc2)cs1)c1cc2ccccc2s1 1775970702 BQJYHHZCMSASPD-UHFFFAOYSA-N 339.441 5.153 0 40 EKAB CC(C)Oc1ccc([C@@H](CCN[C@H](C)c2ccccc2)C(C)C)cc1 1825115 JUPPCYFYDOVKAA-XXBNENTESA-N 339.523 5.954 0 40 EKAB CCCCCCOc1ccc(-c2ncc(CCCCC)cn2)cc1 2268772 APIIIRNRDQSKDJ-UHFFFAOYSA-N 326.484 5.835 0 40 EKAB CCc1ccc([C@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 2436763 LYZAWQOOEMUJCM-HSZRJFAPSA-N 339.442 5.412 0 40 EKAB Cc1cc2oc(=O)c(-c3ccccc3)c(-c3ccccc3)c2cc1Cl 2576857 PGKJQPFBCDSOMU-UHFFFAOYSA-N 346.813 6.089 0 40 EKAB biogenic COc1cc2c(cc1NC(=O)c1ccc(C)cc1)oc1ccccc12 3567043 NLYDRXJGDCFZFQ-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB Cc1ccc(OC/C=C\CSc2ccc(Br)cc2)cc1 5124806 VOAFFFSPOKYJMG-IHWYPQMZSA-N 349.293 5.485 0 40 EKAB c1ccc2c(c1)C[C@H]1C[C@@]34CSC[C@@]3(Cc3ccccc3C4)C[C@@H]1C2 5411817 MADDTDRCORVCCR-NEWJYFPISA-N 346.539 5.330 0 40 EKAB Cc1ccc(OCCCn2cc(C(=O)C(C)C)c3ccccc32)cc1 6421283 QYWSTNDWMUEDSP-UHFFFAOYSA-N 335.447 5.258 0 40 EKAB FC(F)(F)c1c2c(nc3[nH]c4ccccc4c13)-c1ccccc1CC2 6588645 ZNVCIELLXWXXTK-UHFFFAOYSA-N 338.332 5.501 0 40 EKAB O=C(c1c[nH]c2ccccc12)[C@H](Nc1ccc(F)cc1)c1ccccc1 8225767 PXMZHPQCUDWDKD-OAQYLSRUSA-N 344.389 5.343 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1 10367373 CVDWPRVRAIGPME-UHFFFAOYSA-N 349.396 5.574 0 40 EKAB FC(F)(F)c1cccc(NC(=S)NC2CCCCCCC2)c1 13818566 FMAXEDGUFRMZHR-UHFFFAOYSA-N 330.419 5.105 0 40 EKAB CC(C)C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccccc1 20624816 QRVIZKKRKUCBAQ-QGZVFWFLSA-N 334.435 5.039 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1C 22538126 OUJGBPGBQPYLAS-CQSZACIVSA-N 335.369 5.122 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1Cl 27739867 PQMGRTCUAWWKEZ-UHFFFAOYSA-N 347.892 5.618 0 40 EKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H](C)c1cccc(F)c1 40067851 FIABNPBLADAHAV-KGLIPLIRSA-N 340.398 5.036 0 40 EKAB Clc1cc(CN2CCc3sccc3[C@H]2c2cccs2)ccn1 58419396 DUKMTTNRNMBBAA-KRWDZBQOSA-N 346.908 5.006 0 40 EKAB CC(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 216150650 WIINBJZPDGFPEV-HSZRJFAPSA-N 343.470 5.871 0 40 EKAB COc1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 225657796 MYXYKYYQRJNNNV-UHFFFAOYSA-N 347.842 5.041 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OCC 252516442 SNXPWYFWAZVIAU-OBDLBYTHSA-N 332.528 6.695 0 40 EKAB COc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1 85065 GEGUQFPCCXQITE-QFIPXVFZSA-N 345.467 6.053 0 40 EKAB O=C(Nc1ccccc1F)OCC1c2ccccc2-c2ccccc21 238793 VBHKSOZRYAEVJB-UHFFFAOYSA-N 333.362 5.187 0 40 EKAB Cc1ccc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)cc1 1463126 ZPHRAINXQDMKNC-QFIPXVFZSA-N 327.431 5.381 0 40 EKAB C[C@@H]1CC(C)(C)C[C@](OCCN2CCCCC2)(c2ccccc2)C1 1621636 SEINAULMIKRPHQ-KNQAVFIVSA-N 329.528 5.231 0 40 EKAB in-vitro COc1cccc([C@@H](Cc2ccccc2)Nc2ccccc2)c1OC 1668158 UVBXRYJMIGGBTK-HXUWFJFHSA-N 333.431 5.100 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 2570409 WLKFBDXUALOSJE-IZZDOVSWSA-N 331.818 5.429 0 40 EKAB c1ccc(C2=NN(c3ccccc3)[C@H]3c4cccc5cccc(c45)[C@@H]23)cc1 4419429 XSXSETQIICAJFQ-ZCYQVOJMSA-N 346.433 5.903 0 40 EKAB Clc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 5024788 RSHXWWNAEPQJSV-UHFFFAOYSA-N 332.794 5.089 0 40 EKAB COc1cc(/C=C/c2nc3ccccc3s2)ccc1OC(F)F 5130104 NEFUBLQGQKQJGY-VQHVLOKHSA-N 333.359 5.077 0 40 EKAB CCCC[C@H](CC)COCCNCCOC[C@@H](CC)CCCC 5298608 NLFVPFWRZJSSOV-PMACEKPBSA-N 329.569 5.042 0 40 EKAB Cc1ccc(C)c2sc(NC(=O)c3cccc4ccccc34)nc12 7349001 YXFHTRPCRXJSFF-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB C[C@H](NCc1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 8497357 MMVLLBOTYXLKSP-XUXNDYAISA-N 345.530 6.048 0 40 EKAB CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 13957761 BBXUADNAOWUSOL-UHFFFAOYSA-N 349.217 5.358 0 40 EKAB Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 17028949 JIHMXMYYDPMAMI-UHFFFAOYSA-N 345.833 6.002 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc2ccccc12 20484205 MSYWYERPUCPKRU-SFHVURJKSA-N 339.822 5.289 0 40 EKAB CCCCCn1c([C@@H](C)NC(=O)c2ccccc2C)nc2ccccc21 27587738 MYMFIQCNEVKTME-QGZVFWFLSA-N 349.478 5.026 0 40 EKAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o2)c1C 28250086 GNZBCHFNVXGJQX-UHFFFAOYSA-N 344.208 5.064 0 40 EKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 36563138 LRKDTIPYGVQNLX-QFIPXVFZSA-N 345.442 5.147 0 40 EKAB COc1cc2ccccc2c(-c2c(C)c(OC)cc3ccccc23)c1C 38841207 DEVABNQZEQWVSN-UHFFFAOYSA-N 342.438 6.294 0 40 EKAB CC(C)CN1CCCC[C@@H]1c1cccnc1Sc1ccccc1 72217683 OVTLAVBQEBNHCK-LJQANCHMSA-N 326.509 5.416 0 40 EKAB Cc1c(Br)cccc1NC(=O)c1ccc(C(C)(C)C)cc1 87493398 BBBLCRLUWYEDRQ-UHFFFAOYSA-N 346.268 5.307 0 40 EKAB FC1(F)CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 95951705 JIDPXAOOYVIWPN-QHAWAJNXSA-N 341.445 5.480 0 40 EKAB O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1Cl 96122948 RDVBTDPHTYQRAY-UHFFFAOYSA-N 342.851 5.390 0 40 EKAB CCc1ccc(CN(C)[C@H](C)c2nc3ccccc3n2C(F)F)cc1 225499931 CRQGNYWWZKBWEL-CQSZACIVSA-N 343.421 5.187 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)N1CCC(=C2CCC2)CC1 1775966520 JIIUJDPFSRAXRB-UHFFFAOYSA-N 338.278 5.029 0 40 EKAB CC(=O)c1oc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N 159180 IBBSZSFCOXEKAS-UHFFFAOYSA-N 334.400 5.008 0 40 EKAB CC(C)CNc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 1904940 IERKSAZZBXWDJP-UHFFFAOYSA-N 333.479 5.662 0 40 EKAB Clc1ccc(-c2nnsc2Sc2ccccc2)c(Cl)c1 3118873 GTNUYMZLELIPDG-UHFFFAOYSA-N 339.272 5.663 0 40 EKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc2c(s1)CCCC2 3241445 MTWPXOVKTNLECG-UHFFFAOYSA-N 347.483 5.146 0 40 EKAB Cc1cccc(-c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)c1 4117959 GKBLNIOSMFMKIA-UHFFFAOYSA-N 345.833 6.002 0 40 EKAB Fc1c(F)c(Sc2nc3ccccc3o2)c(F)c(F)c1Cl 4785043 UJHGRJIBACUEBE-UHFFFAOYSA-N 333.693 5.189 0 40 EKAB CC(C)CC[C@]1(CCNCc2ccc(F)cc2)CCOC(C)(C)C1 5477849 ZFEHHIJUEKZXPM-NRFANRHFSA-N 335.507 5.317 0 40 EKAB C(=C/c1nc2ccccc2s1)\c1cccc(Oc2ccccc2)c1 5559199 UOJFCPPOWHBSQN-BUHFOSPRSA-N 329.424 6.259 0 40 EKAB Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 6215497 LHAOBHRCYAPPSZ-UHFFFAOYSA-N 331.415 5.277 0 40 EKAB CCOc1cc(CNC2CCCCC2)ccc1OCc1ccccc1 8254613 NQICODJRYSDKOH-UHFFFAOYSA-N 339.479 5.087 0 40 EKAB C[C@@]12CC3CC(NCc4ccc(Cl)c(Cl)c4)(C1)C[C@](C)(C3)C2 8534513 ZYNSAPBSCLNIPB-KOCGSPDRSA-N 338.322 5.832 0 40 EKAB CCC(C)(C)NC(=O)c1ccccc1SCCCc1ccccc1 9426682 CDRJNERPCKCIEE-UHFFFAOYSA-N 341.520 5.330 0 40 EKAB Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 30854722 GANSDWBKDGEIHC-DEOSSOPVSA-N 343.470 5.142 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2SCC(F)(F)F)cc1C 32936686 HJFFVRRPUMUAOG-UHFFFAOYSA-N 339.382 5.210 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 59351424 LAWDIUIHHFGTEN-BJRSVTDJSA-N 335.491 5.492 0 40 EKAB CCCCc1ccc(C[C@@H](Sc2ccc(C)cc2)C(=O)O)cc1 225129455 JBXHLFOTIACVCB-LJQANCHMSA-N 328.477 5.126 0 40 EKAB Fc1ccc(-c2ccc([C@@H]3CCCCN3Cc3ccccn3)cn2)cc1 257284130 PBIISQFTMDLEJS-QFIPXVFZSA-N 347.437 5.010 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1cc2c(ccc3ccccc32)o1 408613800 YFTCPSKFDSGIRA-UHFFFAOYSA-N 343.426 6.270 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(C)c1 408617421 CGLJWSLPHAPKSO-UHFFFAOYSA-N 343.785 5.608 0 40 EKAB CC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)CC1 604940886 AXHIYBDTRMNUFJ-JOCQHMNTSA-N 336.372 6.594 0 40 EKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 305163 NHEWXUBIXQTXGN-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB Cc1cc(-c2nc3ccccc3o2)ccc1NC(=O)c1ccccc1 344929 ZUHORXYKZFTPFP-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1ccccc1Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 427531 FCCHDVMXDQFBES-UHFFFAOYSA-N 333.822 5.707 0 40 EKAB Clc1ccc(-c2cc(CSc3ccccc3)no2)cc1Cl 1398570 OFQGKZIKVJAFOB-UHFFFAOYSA-N 336.243 5.941 0 40 EKAB Brc1ccc(SCc2cc(-c3ccccc3)on2)cc1 1398577 VSIJMNLJDVYARA-UHFFFAOYSA-N 346.249 5.396 0 40 EKAB CCN(CC)CCC[C@H](C)Nc1c(C)cnc2cc(Cl)ccc12 1577157 AFEAUYYSRPFHIA-HNNXBMFYSA-N 333.907 5.119 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 2761178 HDZSFXGJOSMUFE-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB CC[C@H](C)Nc1nc(-c2ccc(Br)cc2)c(C)s1 3352601 YMLSNUUDCDYUQR-VIFPVBQESA-N 325.275 5.091 0 40 EKAB Cc1c(-c2csc(-n3nccc3C(F)(F)F)n2)oc2ccccc12 3406261 CFZHEBLHDKHCKG-UHFFFAOYSA-N 349.337 5.069 0 40 EKAB O=C1c2c(Cl)cccc2C(c2ccccc2)c2cccc(Cl)c21 5438657 AHNPIYVRNZLIRR-UHFFFAOYSA-N 339.221 5.718 0 40 EKAB CC[C@@]1(C)C[C@@](CCNCc2ccccc2F)(CCC(C)C)CCO1 5478746 NXENPVBYWWLXGA-FCHUYYIVSA-N 349.534 5.707 0 40 EKAB Cc1nc(S[C@H](C)C(=O)c2ccc(F)cc2)n(C2CCCC2)c1C 7140262 IXGWTCGSHPXJRG-CQSZACIVSA-N 346.471 5.118 0 40 EKAB Clc1ccc(-c2ccc(CNC3CCCCCC3)o2)c(Cl)c1 7539278 BIRULIQNJOMYTR-UHFFFAOYSA-N 338.278 6.066 0 40 EKAB Cc1cc(C)c(C(=O)CSc2nc3ccccc3s2)c(C)c1 7974706 GRHGPZVYTUQZHD-UHFFFAOYSA-N 327.474 5.197 0 40 EKAB Cc1c(C(=O)Nc2ccccc2NC2CCCCC2)oc2ccccc12 7986095 APISZLLCOGJULN-UHFFFAOYSA-N 348.446 5.738 0 40 EKAB Cc1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)on2)cc1 8869153 ONMPINUYUPAXMH-UHFFFAOYSA-N 334.419 5.200 0 40 EKAB Cc1ccc(-c2cc3c(SCc4cccc(C)c4)nccn3n2)cc1 16842547 MXYPLOONIXXCOM-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB Cc1nc([C@H](Cc2ccsc2)NCc2ccc(F)cc2)sc1C 19559873 GBJVDESBZLVFKX-KRWDZBQOSA-N 346.496 5.034 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 20112144 CVSHGMDMFFXQKN-WNSCPLKPSA-N 331.415 5.006 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccccc1Cl 20192161 MNFSWWKLCKBJSJ-OAQYLSRUSA-N 347.849 5.726 0 40 EKAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1Cl 23040292 NQNOWOCVKRWKKZ-FQEVSTJZSA-N 335.834 5.054 0 40 EKAB C[C@H](NCc1cccc2cccnc12)c1cccc(C(F)(F)F)c1 23623005 PIAZXTFRLMRRHN-ZDUSSCGKSA-N 330.353 5.104 0 40 EKAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1C(C)C 24352726 NYTKDTLCWQQROY-UHFFFAOYSA-N 340.448 5.016 0 40 EKAB Cc1ccc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)c1 44928822 ARBAKIAWQUJBIC-UHFFFAOYSA-N 328.868 6.132 0 40 EKAB Cc1c(C(=O)N(Cc2ccccc2)C2CC2)oc2c(Cl)cccc12 48309092 GUIOGSKYJCMDOK-UHFFFAOYSA-N 339.822 5.199 0 40 EKAB CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 225305542 IYXMVFABFDOQIZ-NRFANRHFSA-N 335.491 5.402 0 40 EKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1 225498546 GSDNGGSKIRYTJE-IBGZPJMESA-N 343.854 5.015 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225700985 HBVKIRVQUCCMFR-FQEVSTJZSA-N 335.488 5.016 0 40 EKAB CCNc1ccc2nc(-c3cc(Cl)c(OC)c(Cl)c3)oc2c1 226284397 RRLXMCNDJCSCOY-UHFFFAOYSA-N 337.206 5.242 0 40 EKAB Cc1cccc(NCc2ccccc2OCc2ccc(Cl)cc2)c1 409112412 GIFDSYXRJALQPZ-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1 364205 UUPCGXVFOOZHNC-UHFFFAOYSA-N 339.394 5.884 0 40 EKAB COc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2C)cc1 3213785 XNXRVBXNWMJZTR-UHFFFAOYSA-N 330.840 5.524 0 40 EKAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(C)C)c1 7208889 XKBAKZPAWPRAHG-UHFFFAOYSA-N 327.493 5.299 0 40 EKAB CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2C(C)C)cc1 8210107 PZWJFLBUNRIVSF-UHFFFAOYSA-N 338.451 5.144 0 40 EKAB Cc1cccc([C@H]2CC(c3cccs3)=NN2c2nc(C)cs2)c1 13624077 GNVPFZITLQAOFV-MRXNPFEDSA-N 339.489 5.177 0 40 EKAB Cc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1Cl 13789841 GQXHPHBZKFNIPJ-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)CNc2ccc(Oc3ccccc3)cc2)c1 19737694 CSDDKDZWBUHTNZ-IBGZPJMESA-N 347.458 5.975 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1C 20104357 FPGZACOJAJXHSQ-KRWDZBQOSA-N 333.884 5.466 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 30867551 KVQGZNBJABRPKY-QGZVFWFLSA-N 331.843 5.007 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C)c(C)c1 113970464 ZJQWKUZSVUQOAM-SFHVURJKSA-N 331.843 5.061 0 40 EKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 169942567 MTUWPJYJONRJCM-UHFFFAOYSA-N 341.426 5.063 0 40 EKAB O=C(c1cccs1)N1c2ccccc2Sc2ccc(Cl)cc21 216942698 INJCMPRXVXUTOQ-UHFFFAOYSA-N 343.860 5.845 0 40 EKAB CCC[C@@H](C)Oc1ccc2c(c1)c(C=O)c(C)n2CCc1ccccc1 217772304 OWODFQFZNJVVLY-QGZVFWFLSA-N 349.474 5.572 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)CSCc1ccc(Cl)cc1F 225107831 FAALVQCLTCPBAY-UHFFFAOYSA-N 345.911 5.043 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1 225748587 VGAWKOSMMVXVMO-FQEVSTJZSA-N 335.488 5.178 0 40 EKAB CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1ccco1)CCCC3 502283 ZOZHJIMIQLMNQF-UHFFFAOYSA-N 338.403 5.421 0 40 EKAB CSc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 515506 QTUVMRZXVSTCAT-UHFFFAOYSA-N 341.545 5.039 0 40 EKAB S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCCC1 530216 ULKYDTRSNLUUPP-UHFFFAOYSA-N 326.248 5.025 0 40 EKAB O=C(c1cnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 1395942 QGNOPHAJQCWQFJ-UHFFFAOYSA-N 334.227 5.348 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2ccccc2)n1 1401168 BWCNNZOWZLYXLE-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1C1(CCCC1)O2 4201942 HAKOUFOKJGATDZ-OAHLLOKOSA-N 344.867 5.215 0 40 EKAB CCCCC[C@@H]1CC[C@@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@@H]1C 4663646 VBMOEUZKBIQGME-XZDHIHRUSA-N 349.562 7.411 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCCc2ccccc21 6229545 MNTGZYJYCDMSFD-INIZCTEOSA-N 335.234 5.193 0 40 EKAB Cc1ccccc1Oc1ccc(NC(=O)CCc2ccccc2)cc1 8471485 JTZKXFDJMACVBB-UHFFFAOYSA-N 331.415 5.359 0 40 EKAB CCc1ccccc1NC(=S)N[C@@H](C)c1ccc(C(C)C)cc1 13931842 VCMYNJYSDVZQBI-HNNXBMFYSA-N 326.509 5.420 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(C)C 20456551 SFWNBEOYKUBPIZ-NRFANRHFSA-N 347.458 5.759 0 40 EKAB C[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 28605142 RCASHQUXOXQIGC-XJKSGUPXSA-N 334.444 5.072 0 40 EKAB COC(=O)c1cc(Nc2ccc(C(C)C)cc2)c2cccc(F)c2n1 38486939 LQYOHVWNHQVWMW-UHFFFAOYSA-N 338.382 5.028 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1Cl 44901046 RANFUDRWBQSSOH-GOSISDBHSA-N 339.822 5.289 0 40 EKAB Cc1cccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c1C 67339251 LMRKMRSHYOPQTR-VQHVLOKHSA-N 325.795 5.355 0 40 EKAB Cc1ccc(CN(C(=O)c2cccc(Oc3ccccc3)c2)C2CC2)o1 69563169 HPKQQNGNRYDLQL-UHFFFAOYSA-N 347.414 5.185 0 40 EKAB Cc1cccc(CSCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 222743998 JHIVIPATLBALJR-FQEVSTJZSA-N 341.520 5.132 0 40 EKAB C[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(C(C)(C)C)cc1 225406268 QVUKEHCQZFUIKV-GFCCVEGCSA-N 348.462 5.310 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)cc1 225483164 VJFOAYFVMRCSPN-MRXNPFEDSA-N 348.899 5.095 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225701195 NGWFAYACILGOSX-UWJYYQICSA-N 349.515 5.405 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)c(C)s1 408580678 QPTVVYFJHCLVPF-UHFFFAOYSA-N 336.460 5.296 0 40 EKAB CCN(CC)C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 408972104 RYRBICQXDFOIML-UHFFFAOYSA-N 336.671 5.344 0 40 EKAB O=c1oc2cc3occ(-c4ccccc4)c3cc2c2c1CCCCC2 489231 DICUIUAWNJZSBP-UHFFFAOYSA-N 330.383 5.475 0 40 EKAB biogenic Cc1ncc2c(n1)-c1ccccc1[C@@H](c1ccc(Cl)c(Cl)c1)C2 1390485 FIYMKYMGVVYCBM-MRXNPFEDSA-N 341.241 5.447 0 40 EKAB CCc1cccc(CC)c1NC(=O)CCCOc1ccc(C)cc1C 1913901 OYECQVSHVNZFFL-UHFFFAOYSA-N 339.479 5.226 0 40 EKAB Cc1cc(N[C@@H](C)c2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 2416057 CBUHQNAUZMHGKD-INIZCTEOSA-N 342.446 5.186 0 40 EKAB Clc1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1 3205343 URQFWAQABCLOOS-UHFFFAOYSA-N 346.861 6.065 0 40 EKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 4214857 LBGCQMWKTKHISP-WZYQIZRJSA-N 332.528 5.741 0 40 EKAB biogenic,in-vitro c1ccc(Oc2ccccc2COc2ccc(-c3nnco3)cc2)cc1 7441122 WWSVUPMLDOGZLO-UHFFFAOYSA-N 344.370 5.108 0 40 EKAB CC(C)c1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 8279202 OGZGCJZIKIHRJC-CQSZACIVSA-N 338.476 5.253 0 40 EKAB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 8371341 CTMGHAOEWKGNPN-QUJCMNEKSA-N 339.822 5.173 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1 10541099 ZXDBMRWUCXUBSM-QGZVFWFLSA-N 339.504 5.159 0 40 EKAB CC[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(C)cc1 20037464 VJFWNEUJBWFBBI-CIPTZOQDSA-N 345.442 5.396 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1C 22540215 WBZKYPFDOYNTJE-AWEZNQCLSA-N 335.369 5.122 0 40 EKAB Cc1ccc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)cc1C 35681754 KKVYEPQQCZJWQS-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB O=C(O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127223 HJTIEPDBGMBRKZ-UHFFFAOYSA-N 342.565 5.153 0 40 EKAB C[C@H](N(C)C(=O)c1ccc(-c2nc3ccccc3s2)o1)C(C)(C)C 48302116 GFWGKNCGCXWETG-LBPRGKRZSA-N 342.464 5.063 0 40 EKAB CCCCN1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 72217266 XKRFOLOQRQIVSA-IBGZPJMESA-N 332.557 5.834 0 40 EKAB Clc1ccc(Cl)c2[nH]c(-c3cccc(Br)c3)nc12 73634671 MVKWOWJHHWYKHK-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB CC1(C)C(Cl)(Cl)C12[C@@H]1CC[C@@H]2c2c(F)c(F)c(F)c(F)c21 101049853 AOLHYUUVKRWUMW-PHDIDXHHSA-N 339.159 5.418 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(C)C)cc1 222883190 FEOZIMWQGUFLKT-FQEVSTJZSA-N 325.452 5.169 0 40 EKAB c1ccc2c(CSc3nnc4sc5ccccc5n34)cccc2c1 570091 WYWRZUZYEYHRGZ-UHFFFAOYSA-N 347.468 5.390 0 40 EKAB CC(=O)c1c(SCc2ccc(Cl)cc2)nc2ccccc2c1C 1387848 BBWDCYPPJSDNMI-UHFFFAOYSA-N 341.863 5.692 0 40 EKAB COc1cc2cnc(-c3ccc(Cl)c(Cl)c3)cc2cc1OC 1565430 FERASTJAVKVDSU-UHFFFAOYSA-N 334.202 5.226 0 40 EKAB CCCCCN(CCCCC)C[C@H](O)c1cc(C)ccc1Cl 1592049 NYRHDKKFGFDKBL-IBGZPJMESA-N 325.924 5.364 0 40 EKAB CCN(CC)CCCO[C@@H](c1ccccc1)c1ccc(Cl)cc1 1691526 OBZYMERBHFKYTP-FQEVSTJZSA-N 331.887 5.178 0 40 EKAB CCCNC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2088991 QZIVTIHNGWKAQA-UHFFFAOYSA-N 338.838 5.003 0 40 EKAB Cc1ccsc1C(=O)NCCC(c1ccccc1)c1ccccc1 3411582 MCIHVKKJUYXUEM-UHFFFAOYSA-N 335.472 5.009 0 40 EKAB Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1C1(CCCC1)O2 4133142 HAKOUFOKJGATDZ-HNNXBMFYSA-N 344.867 5.215 0 40 EKAB CCCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 5215656 MNKZXLFEDXAAMO-UHFFFAOYSA-N 344.462 5.354 0 40 EKAB CC1(C)CC(=O)[C@H]2[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@]2(C)C1 5415025 CIMULNHZAFWYPH-ZZLPTCMGSA-N 333.475 5.084 0 40 EKAB COc1ccc(OC)c(C[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@H]23)c1 5515863 YNTBOVIYSGWPEU-SZOBAZRNSA-N 342.523 6.045 0 40 EKAB Cc1cc(C)c(NC(=O)CCCOc2ccc(Cl)cc2)c(C)c1 5697526 KKXVPZGNXVIMNJ-UHFFFAOYSA-N 331.843 5.063 0 40 EKAB Cc1cccc(C)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 5755986 FATGWXANZMVCER-UHFFFAOYSA-N 339.479 5.399 0 40 EKAB C[C@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 7524684 KJGPUONUIWDZEC-ZDUSSCGKSA-N 346.257 6.104 0 40 EKAB Clc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1Cl 11690103 IZWOXIBECQJKKC-UHFFFAOYSA-N 346.238 6.530 0 40 EKAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1 11866553 TWHNLCHHLLXXST-LBPRGKRZSA-N 340.806 5.075 0 40 EKAB COc1ccccc1Nc1c(-c2cccs2)nc2ccc(C)cn12 35616079 IXCHYQOEGNXYAR-UHFFFAOYSA-N 335.432 5.123 0 40 EKAB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 59643356 HEFZYNBTAVJFBX-ACCUITESSA-N 337.806 5.560 0 40 EKAB COc1ccc2cc(C(=O)c3ccc(Cl)c(Cl)c3)ccc2c1 95917115 GLQRKYKKRWFQBU-UHFFFAOYSA-N 331.198 5.386 0 40 EKAB Cc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1Cl 106970895 ODLBEIJLNUMQIR-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CC(C)(C)OC(=O)NCCCCCCCCC(=O)c1ccccc1 225750556 MDLTVNLITLTXHE-UHFFFAOYSA-N 333.472 5.125 0 40 EKAB Cc1c(F)cccc1NC(=O)CSc1ccc2ccccc2c1 409180344 WOMMCOHKKASNTM-UHFFFAOYSA-N 325.408 5.018 0 40 EKAB Cc1cc(C)c2nc(NC(=O)c3ccc(C)c4ccccc34)sc2c1 341876 JKFFREHPWIOIQE-UHFFFAOYSA-N 346.455 5.627 0 40 EKAB c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4c3CC4)nc2c1 1643073 POJGLWGZDKBSFN-UHFFFAOYSA-N 338.366 5.402 0 40 EKAB Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1C 1904068 KWBDTRZBSQJSCI-UHFFFAOYSA-N 340.463 5.366 0 40 EKAB Cc1ccc2c(c1)Cc1c(S)nc(-c3ccc(Cl)cc3)nc1O2 2691204 XNLVAMJCYXAVAS-UHFFFAOYSA-N 340.835 5.091 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 3108276 POSJSBQQRLIPBW-UHFFFAOYSA-N 348.446 5.446 0 40 EKAB CCc1cccc(CC)c1NC(=S)Nc1ccc([C@@H](C)CC)cc1 3328838 PVKDMARHAOQDCG-HNNXBMFYSA-N 340.536 6.134 0 40 EKAB Clc1ccc(CN2CCC(c3nc4ccccc4s3)CC2)cc1 4966456 PWJLJECTNWAISE-UHFFFAOYSA-N 342.895 5.329 0 40 EKAB CSc1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 6306053 FGGKLNGHOCYSRF-SDNWHVSQSA-N 325.477 5.358 0 40 EKAB Cc1ccc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)c3ccccc23)cc1 7002962 VFIHIDDHUNPHEZ-IAGOWNOFSA-N 331.463 5.088 0 40 EKAB CCc1ccccc1NC(=O)CCc1ccc(-c2ccc(F)cc2)o1 11666863 PUPRWSQKIYRZNC-UHFFFAOYSA-N 337.394 5.219 0 40 EKAB Fc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2ccccn2)cc1 12524995 ZFCIBJKTTQNTNN-SDNWHVSQSA-N 341.389 5.244 0 40 EKAB CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 14257899 BTXGGUHYDXOCQD-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 14399222 ROLNIIXTCKJSQE-CYBMUJFWSA-N 331.843 5.044 0 40 EKAB O=C1CSC2(CCCCC2)N1c1ccc(Oc2ccccc2)cc1 15082835 UDAJWOVTSVJQSP-UHFFFAOYSA-N 339.460 5.219 0 40 EKAB Clc1ccccc1COc1ccc2ccccc2c1CNC1CC1 16525843 SUHKAKNKNQBRLR-UHFFFAOYSA-N 337.850 5.324 0 40 EKAB Clc1ccc(C2=N[C@@H](c3ccccc3)N3[C@@H](c4ccccc4)[C@H]23)cc1 19800715 JTMWJVWEVLMMNX-SVKILVKPSA-N 344.845 5.267 0 40 EKAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(F)cc1 20461025 CYFXAFXIVPBYOB-FZPLPXEFSA-N 338.209 5.023 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20482941 WDHJXRHVUQWCJT-CQSZACIVSA-N 331.843 5.178 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)cc1C 20493670 YSCJMJDLLYVKEJ-OAQYLSRUSA-N 333.431 5.253 0 40 EKAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1C1CCCCC1 21790261 BFMVBFJNQTZARK-UHFFFAOYSA-N 344.867 5.284 0 40 EKAB CN(C(=O)c1ccc(CSc2ccccc2)cc1)C1CCCCC1 22518492 QNJHSODPRIPDKD-UHFFFAOYSA-N 339.504 5.384 0 40 EKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c(C)c1 44837959 FMHYOBWXOARYQK-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CSc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccccc1C 44947055 FDTMCLOQEYANJC-OAQYLSRUSA-N 347.483 5.236 0 40 EKAB Cc1cc(Nc2cccc(C(=O)O)c2)c2ccc(Cl)c(Cl)c2n1 78401694 WOSOHKVDNXDZSS-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 100003289 YDVUSMRUBCJGAV-FGYAAKKASA-N 348.521 7.625 0 40 EKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2ccco2)C[C@@H](c2ccco2)C1 100141964 BPKFDDLJLHPGJY-ASSNKEHSSA-N 346.386 5.502 0 40 EKAB COc1cc(C)c([C@@H](C)NC(=S)Nc2ccccc2)cc1C(C)C 223265637 KUBXJRWNMHZQHZ-OAHLLOKOSA-N 342.508 5.175 0 40 EKAB CCCCc1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225660731 MMSIEQKUGNPLRG-UHFFFAOYSA-N 339.479 5.722 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3cccc(Cl)c3)CCCC2)c1 225844465 DXXKQXWURWILMV-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB Cc1ccc(-n2c(C)c(C(=O)c3ccccc3)c3cc(O)ccc32)cc1 501885 GAMSCVYHLDPZDJ-UHFFFAOYSA-N 341.410 5.184 0 40 EKAB Fc1ccc(Nc2ncnc3sc4c(c23)CCCCC4)cc1Cl 1801744 SMBGHETZOIROPH-UHFFFAOYSA-N 347.846 5.496 0 40 EKAB Cc1ccc2nc(-c3ccc(C(C)(C)C)cc3)c(C)c(C(=O)O)c2c1 2111853 VWPAFNBYKRNLGB-UHFFFAOYSA-N 333.431 5.514 0 40 EKAB CCCCSc1cnn(-c2ccccc2)c(=O)c1SCCCC 2183674 RONZICBXBMHZOJ-UHFFFAOYSA-N 348.537 5.017 0 40 EKAB C1=C[C@H]2Cc3cc4nc(-c5ccc6ccccc6n5)ccc4cc3[C@H]2C=C1 2258952 XJLBNEZFPZKAEO-PXNSSMCTSA-N 346.433 5.832 0 40 EKAB O=C(CCC1CCCCC1)Nc1nc(-c2ccc(F)cc2)cs1 3328419 XKYFKMWJJTZTBH-UHFFFAOYSA-N 332.444 5.248 0 40 EKAB c1ccc(CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 4268540 MCDPZWVDBAUNNF-UHFFFAOYSA-N 332.472 5.315 0 40 EKAB C[C@H](NCc1ccccc1OCc1ccc(F)cc1)c1ccccc1 4657440 NLPPMSWNUHXZOP-KRWDZBQOSA-N 335.422 5.256 0 40 EKAB CC(C)c1ccc(Cc2cn3cc(-c4ccccc4)nc3s2)cc1 5020408 KVMUIXVKJPEQHQ-UHFFFAOYSA-N 332.472 5.777 0 40 EKAB Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 7846901 UZUPHYYWFNNBPJ-UHFFFAOYSA-N 329.830 6.531 0 40 EKAB O=C(CSc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 10646800 XHRODEPQJLWXSW-UHFFFAOYSA-N 345.773 5.090 0 40 EKAB CN(C(=O)c1ccccc1SCc1ccccc1)c1ccccc1 13648097 PGQNGDSFQKIYAI-UHFFFAOYSA-N 333.456 5.256 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1 13931678 NXUUYKHLFIEJSQ-LJQANCHMSA-N 326.509 5.556 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(C)C 13942314 MQNAHZKKUOPUOM-OAQYLSRUSA-N 332.447 5.068 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 14665153 MSOFZHBDZQXRLP-INIZCTEOSA-N 325.452 5.007 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C 20106219 RODYRKYYXVWXHY-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Cc1ccc2nc(NC(=O)CCc3ccc(C(C)C)cc3)sc2c1 36613953 RQXYKWNTYNEFAV-UHFFFAOYSA-N 338.476 5.299 0 40 EKAB Cc1cc(Br)ccc1C(=O)c1ccc(Cl)c(Cl)c1 36829494 SEVPUYLWIAABBX-UHFFFAOYSA-N 344.035 5.295 0 40 EKAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3ccsc3)co2)c(C)c1 48285793 NDVLXZMGJFVHHR-IBGZPJMESA-N 338.476 5.357 0 40 EKAB CN(CCCc1cc(-c2ccccc2)no1)Cc1ccc(Cl)s1 60356452 RSARVIRFXPNUGV-UHFFFAOYSA-N 346.883 5.121 0 40 EKAB COc1c(C)c(-c2c(O)ccc3ccccc23)c(O)c2ccccc12 169796272 CDGVBFDHIRFWEY-UHFFFAOYSA-N 330.383 5.388 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)[C@H]2CCCc3ccccc32)c1 199719564 CUYMXINPOGEPDC-SFHVURJKSA-N 338.451 5.209 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2ccccc2F)C(C)C)c(C)c1 225764024 IZBLGDGCPFCAPY-SFHVURJKSA-N 330.472 5.126 0 40 EKAB CCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1 551233 IIEOIVJCHJRDKA-IBGZPJMESA-N 349.478 5.132 0 40 EKAB Cc1cccc(-c2nnc(-c3cc4cc5ccccc5nc4s3)o2)c1 1399210 FXIBJJMCUBNKAI-UHFFFAOYSA-N 343.411 5.475 0 40 EKAB Cc1c(Cl)cccc1Nc1ncnc2sc3c(c12)CCCC3 2200719 NPPRTEAFZUHMAU-UHFFFAOYSA-N 329.856 5.276 0 40 EKAB Cc1ccc(-c2csc3ncnc(SCc4ccccc4)c23)cc1 2393791 ICANKZHFKLDING-UHFFFAOYSA-N 348.496 5.959 0 40 EKAB CC1(C)COC(CCCCC(=O)c2ccc(Cl)c(Cl)c2)OC1 2518149 TZFRMWINXCOADB-UHFFFAOYSA-N 345.266 5.136 0 40 EKAB O[C@@H](CN1CCCCC1)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 4537497 QJUBRQLMPOZVNB-NYPGBQQYSA-N 341.882 5.030 0 40 EKAB COc1ccccc1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 6215483 UNERUPOCGASCIY-UHFFFAOYSA-N 347.414 5.059 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)CC(C)(C)C)cc1 6509921 ABORRSHSIBHYID-UHFFFAOYSA-N 327.424 5.252 0 40 EKAB CCCCCCNCc1cccc(OCC)c1OCc1ccccc1 7261080 OYFIIVHVKRGLPB-UHFFFAOYSA-N 341.495 5.334 0 40 EKAB CCc1nc2ccccc2c(C(=O)Nc2ccc(C)cc2Cl)c1C 8312509 KOEHNTRCBCLINE-UHFFFAOYSA-N 338.838 5.320 0 40 EKAB COc1ccc(Cl)cc1CSCc1nc2ccccc2nc1C 9377997 YOKXURVBOGZHJX-UHFFFAOYSA-N 344.867 5.034 0 40 EKAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 12631026 ODZBMQCZYLMEHC-QKLQHJQFSA-N 339.504 5.025 0 40 EKAB CC(C)c1ccccc1NC(=O)c1ccc(OCc2cccnc2)cc1 29864581 WHQNRGGTWSRDPI-UHFFFAOYSA-N 346.430 5.036 0 40 EKAB CCc1ccc2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1 57352938 IEHBHOVDAVJMSV-UHFFFAOYSA-N 329.812 5.397 0 40 EKAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 78458143 JWIMJEZQSANCDB-DLBZAZTESA-N 347.458 5.047 0 40 EKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H]1CCC(=O)O1 141349833 PCOBNCGOHMJRLU-VSHOBBMYSA-N 344.495 5.194 0 40 EKAB in-vitro S=c1sc2c(s1)S[C@@H]1[C@H](C[C@@H]3[C@H]4C=C[C@@H](C4)[C@@H]13)S2 245230765 YJEUJNZJEIHEBL-ZPASOGBRSA-N 328.574 5.316 0 40 EKAB CCCCC/C=C/C/C=C\C/C=C/C=C/[C@H](O)CCCC(=O)OC 256929777 RWLSHOXCJVZJMD-FGZLRCMFSA-N 334.500 5.276 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cc(C)ccc1C 408588999 XSPDEQBQBYRWDJ-UHFFFAOYSA-N 331.843 5.388 0 40 EKAB CC(C)(C)CC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358918 JFGDVSDVCDLPJU-UHFFFAOYSA-N 343.470 6.775 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 1559660760 BJQLPOYHBJQLJD-YRWFTTLQSA-N 343.898 5.916 0 40 EKAB Clc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ccccc2N1 552730 VHLSWCZDXQVULU-OAQYLSRUSA-N 332.834 6.018 0 40 EKAB CC(C)(C)CC(C)(C)c1ccc(OCc2ccc(Cl)cc2)cc1 1572579 HABWIUKYVQBLSL-UHFFFAOYSA-N 330.899 6.633 0 40 EKAB COc1cccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)c1 5033277 OOFOVUUIZDPPRA-UHFFFAOYSA-N 341.794 5.169 0 40 EKAB CCOc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1 6155701 PGICDMQJNNYYES-UHFFFAOYSA-N 348.427 5.549 0 40 EKAB CC(C)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 6540881 BNAQXICUODHKIA-UHFFFAOYSA-N 345.442 5.641 0 40 EKAB Cn1c2ccccc2c2c(C(F)(F)F)cc(-c3ccccc3)nc21 6588648 QCOCWXMMRXRBRZ-UHFFFAOYSA-N 326.321 5.412 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1C 8496396 FYWWNNHHCRSNEE-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccccc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 8812503 KVPVPXXQWJYOEJ-UHFFFAOYSA-N 338.476 5.635 0 40 EKAB CC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 13017748 GTFLKYLEIQHYMY-UHFFFAOYSA-N 339.778 5.055 0 40 EKAB Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(C(F)(F)F)c1 14630273 SEKPZDNQHIPSRK-UHFFFAOYSA-N 337.728 5.887 0 40 EKAB CC[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 17070993 PZAJTKWJPFDWRN-HNNXBMFYSA-N 338.398 5.143 0 40 EKAB Cc1ccc(NC(=O)c2cc3c(F)cccc3s2)c2cccnc12 22902591 GZUVPGZQFBVYFP-UHFFFAOYSA-N 336.391 5.149 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(Cl)c1)c1ccc(C)cc1 30866368 JCYOVFLFKGDMEL-RBUKOAKNSA-N 345.870 5.073 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 30872435 VXCZBRFCVFRCON-OAHLLOKOSA-N 341.810 5.128 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc(Cl)ccc2o1 39897555 IXGPMWUORANZEV-UHFFFAOYSA-N 339.700 5.357 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1C 44839571 WTJCTIZMYGZABU-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB c1csc(-c2nc(CN[C@@H]3CCCc4ccccc43)cs2)c1 66863041 JLVHWJUYKCCTGQ-MRXNPFEDSA-N 326.490 5.039 0 40 EKAB C[C@@]12CC3CC(NC(=O)Nc4cccc(Cl)c4)(C1)C[C@@](C)(C3)C2 100980751 BUODOHUYRDRAHQ-BHJVWRQASA-N 332.875 5.211 0 40 EKAB CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1Cl 106980010 BWMDJGWIJKSZBN-UHFFFAOYSA-N 344.669 5.966 0 40 EKAB CC(C)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 141846786 JYBMZIPKAGABHG-JBPLPALLSA-N 326.480 5.147 0 40 EKAB COc1cc(Cl)c2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 216916085 FCOCHUKMCMMSPH-UHFFFAOYSA-N 327.598 5.199 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 408602223 CSNWMCRBDUEMEL-GFCCVEGCSA-N 327.811 5.852 0 40 EKAB Cc1cc(C)c2oc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(C)c2c1 526052325 ZACYTLSLHCYBEV-UHFFFAOYSA-N 335.447 5.908 0 40 EKAB O=C(Oc1ccc2ccc(O)cc2c1)c1ccc(Cl)c(Cl)c1 365058 CYKSFCLUVHQUAS-UHFFFAOYSA-N 333.170 5.071 0 40 EKAB Cc1ccccc1[C@@H]1CC(c2ccccc2O)=Nc2ccccc2S1 481226 BTIHCIYTSMCUKJ-QFIPXVFZSA-N 345.467 6.059 0 40 EKAB CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1Cl 569601 XSFXBQUFDMEPOI-UHFFFAOYSA-N 328.799 5.195 0 40 EKAB CC(C)(C)c1ccc(-c2nc3c(Cl)c(N)c(Cl)cc3o2)cc1 570166 FBDWLNNYJVSSTH-UHFFFAOYSA-N 335.234 5.681 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 581855 OPDBRFJOVRGLBP-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc2ccccc12 970584 DPMGQKURGQSRBC-UHFFFAOYSA-N 335.406 5.663 0 40 EKAB CC[N+]1=C(/C=C/c2ccc3cccnc3c2O)C(C)(C)c2ccccc21 4824331 RXKPKWYXHUISPA-UHFFFAOYSA-O 343.450 5.050 0 40 EKAB CC(C)(C)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 6214522 FSXABWUWSOGWCB-UHFFFAOYSA-N 343.470 5.755 0 40 EKAB CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(-c2ccccc2)cc1 7736732 NQTHDWWNJZBCJN-UHFFFAOYSA-N 349.861 5.208 0 40 EKAB CCOc1ccc(N(C(=O)C(C)C)c2nc3ccccc3s2)cc1 8076024 WUIOXJGRHJISBK-UHFFFAOYSA-N 340.448 5.016 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 10335063 CBVBMQADEWDNCP-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB O=C(Cc1cccc2ccccc12)NCc1ccc(Cl)cc1Cl 13135230 XKGROBSODGRCSJ-UHFFFAOYSA-N 344.241 5.006 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1Cl 13789828 ZUBSNWRZUWSANE-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC1=CC(C)=Nc2ccccc2NC(C)=CC(C)=Nc2ccccc2N1 18155533 SDTVGIGPWYXSSL-UHFFFAOYSA-N 344.462 6.217 0 40 EKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)oc2C)c(C)c1 32900958 QQEIPNOCLHTDEE-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB SC1=N[C@@H](c2cccs2)C2=C(N1)/C(=C\c1cccs1)CCC2 53598544 DFVOJYCFQPZRSP-BLIJAFNYSA-N 344.530 5.261 0 40 EKAB CCC[C@H](C)Oc1ccc2c(c1)c(C=O)c(C)n2Cc1ccccc1 217772188 KHVJOOVKLZPNHU-INIZCTEOSA-N 335.447 5.378 0 40 EKAB CC[C@H](NC(=O)c1ccccc1SC(C)C)c1ccc(C)c(C)c1 219657953 RTNGLFXKTGWVFM-IBGZPJMESA-N 341.520 5.685 0 40 EKAB CCCOc1c(C)cc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225721391 AGFHTWPILSLFSA-UHFFFAOYSA-N 347.499 5.016 0 40 EKAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1F 408617114 BSKNBOBXSXVCSM-UHFFFAOYSA-N 347.748 5.439 0 40 EKAB CCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1OC 409118406 ZKTFFOLRYNAMIP-UHFFFAOYSA-N 340.250 5.321 0 40 EKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C)cc1C 71920 XLTAITUSJGAVTC-UHFFFAOYSA-N 348.446 5.389 0 40 EKAB Cc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 362467 CPOCPTXHDSFYPI-UHFFFAOYSA-N 325.452 5.259 0 40 EKAB COc1ccc2c(C)c(-c3cc(=O)oc4cc(C)c(C)cc34)oc2c1 491280 FPPBCGCTTHMKFK-UHFFFAOYSA-N 334.371 5.140 0 40 EKAB biogenic Cc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1 1000352 QIIKCFPSNCDERB-QFIPXVFZSA-N 329.468 6.353 0 40 EKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC=C(C)C 4749559 LFXLMXDJJKGTSQ-UHFFFAOYSA-N 334.415 5.367 0 40 EKAB biogenic CCCCCCC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20136701 LTESUMXPBSGBDL-UHFFFAOYSA-N 335.831 5.001 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)cc(C)c1 30853152 HOOJVZQZELFWDZ-NRFANRHFSA-N 333.431 5.253 0 40 EKAB CCC[C@H](C(=O)NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 65586851 OACGCRFZIQZOOT-FCSDKFEESA-N 339.523 5.293 0 40 EKAB O=C(/C=C/Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 100334822 WFBIWGBHWXVHHS-BQYQJAHWSA-N 341.625 5.211 0 40 EKAB O=[N+]([O-])/C=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 209611428 WAKBPBGKNFCRAR-BQYQJAHWSA-N 347.201 5.244 0 40 EKAB CC(C)=CCC[C@]1(C)C=Cc2c(cc(C)n(Cc3ccccc3)c2=O)O1 257273618 NHLHADAHHVHZAS-HSZRJFAPSA-N 349.474 5.116 0 40 EKAB C/C(=N/O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@@H]3CC[C@]12C 488152 QPVTWJVYONZWBL-JCYRSHGMSA-N 344.499 5.246 0 40 EKAB biogenic Fc1ccccc1CSc1nnc(SC2CCCC2)s1 1392746 SLSUXRLNJGHVMT-UHFFFAOYSA-N 326.487 5.004 0 40 EKAB C[C@H](CCN1CCN(CC[C@@H](C)CC(C)(C)C)C1=O)CC(C)(C)C 1687241 ZGGKHVJOBDTDMN-QZTJIDSGSA-N 338.580 5.649 0 40 EKAB CCCCOP(=O)(OCCCC)[C@@]1(C)CC(=O)CC(C)(C)C1 2042583 LYBSLBOEXPJDER-KRWDZBQOSA-N 332.421 5.351 0 40 EKAB CC(C)c1cc2cc(C(C)C)c(S(=O)(=O)O)cc2cc1C(C)C 2584248 HLISQZROVKYKGC-UHFFFAOYSA-N 334.481 5.457 0 40 EKAB CC(C)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1 3231103 LBBIUPRVIOYCAB-UHFFFAOYSA-N 333.884 5.584 0 40 EKAB S=c1sc2c(s1)S[C@@H]1c3cccc4cccc(c34)[C@H]1S2 3764785 VCDYMDDSSVANBS-VXGBXAGGSA-N 348.564 6.686 0 40 EKAB Cc1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)s1 4735040 QFEBQMIGWVIJJF-UHFFFAOYSA-N 340.839 5.163 0 40 EKAB CC(C)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 5673154 WELCSVDDNFRBKD-UHFFFAOYSA-N 331.843 5.260 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc3ccccc23)ccc1Cl 5779238 PDSSCSBBCMXPDM-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB Cc1ccc(SCCC(=O)Nc2c(C)cccc2C(C)C)cc1 6477483 ZKPOHMBWNSPXHL-UHFFFAOYSA-N 327.493 5.548 0 40 EKAB Cc1csc(NC(=O)c2ccccc2Nc2cccc(C)c2C)n1 6832168 AYHZEILXGCXFDN-UHFFFAOYSA-N 337.448 5.064 0 40 EKAB c1ccc(-c2cnc(CSC3=Nc4ccccc4CS3)o2)cc1 12567220 LAFIXAJGHVKKNH-UHFFFAOYSA-N 338.457 5.509 0 40 EKAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(C)cc1 30869622 IYNWBPKRGBUMPM-LAUBAEHRSA-N 347.458 5.183 0 40 EKAB Cc1ccc(NCCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1C 32119684 UQHGAEVGRCJWKV-UHFFFAOYSA-N 341.454 5.560 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3ccccc3O)nc3ccccn23)c1 35616281 WBDZVGVSNATZMV-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB O=C(Nc1ccc(Cl)cc1F)Nc1ccccc1C(F)(F)F 51354231 UQFHXHWUCNKIHA-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB FC(F)(F)Sc1ccc(-c2cccc(Br)c2)cc1 95740175 AHFKHGQSMDLATH-UHFFFAOYSA-N 333.172 5.728 0 40 EKAB O=C(NCC1=CCCCC1)N1c2ccccc2Sc2ccccc21 224316140 XJAFZMJRVFOOHC-UHFFFAOYSA-N 336.460 5.499 0 40 EKAB O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 422723 XTRWBQAPZGPATF-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 505807 JRGYYCASFONBPN-DLBZAZTESA-N 339.479 5.731 0 40 EKAB Cc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C 1006344 AMZJEJAYNXRVSG-UHFFFAOYSA-N 329.443 5.464 0 40 EKAB Cc1cc(C)c(-c2oc3ccc(Cl)cc3c(=O)c2Cl)c(C)c1 1673227 MFVRBRLUUQLTAK-UHFFFAOYSA-N 333.214 5.692 0 40 EKAB CCCCCCSc1nc(N)c2c3c(sc2n1)CCC[C@H]3C 1837088 VNMJXFFOEBNDIV-LLVKDONJSA-N 335.542 5.386 0 40 EKAB C(=C1/SC(c2ccccc2)=N[C@@H]1c1ccccc1)\c1ccccc1 1859135 OGVIFLIVZKLLAY-ICFXLVBESA-N 327.452 5.962 0 40 EKAB c1ccc(C(SCc2cccc3ccccc23)c2ccccc2)cc1 2655111 WBVJBDSJNBBTFN-UHFFFAOYSA-N 340.491 6.863 0 40 EKAB Cc1ccsc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 9872421 NFHDPIOUSSZLNI-UHFFFAOYSA-N 340.429 5.179 0 40 EKAB Nc1c(-c2nc3ccccc3nc2-c2ccccc2)oc2ccccc12 16492090 GFUBCUJURFNTMQ-UHFFFAOYSA-N 337.382 5.292 0 40 EKAB Cc1occc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 23010614 VCQPWBUZKDYPTH-UHFFFAOYSA-N 327.767 5.286 0 40 EKAB CSCc1nnc(SCc2sc3ccccc3c2Cl)o1 29918103 HZVXYYPDILDJKY-UHFFFAOYSA-N 342.898 5.093 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1cccc2ccccc12 35193762 PLZIJELGFYSFPG-OXFYSEKESA-N 325.452 5.849 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 44904695 MNEJYOCDJSKSKL-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344088 WFECUUYAFHHZOE-LSDHHAIUSA-N 340.637 5.389 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)CC(Cl)=C(Cl)Cl)C2 222411402 INCZUJUVFSJFCB-BXGCZWRVSA-N 325.663 5.020 0 40 EKAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 222860214 PCOKIYUUFSPALI-UZLBHIALSA-N 339.479 5.019 0 40 EKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2)cc1 226756463 IVRLMFCJRSHWCD-UHFFFAOYSA-N 336.822 5.150 0 40 EKAB Clc1ccc([C@H]2CC(c3ccccc3)=Nc3ccccc3N2)cc1 494898 DYIIVBZAOQSVRX-OAQYLSRUSA-N 332.834 6.018 0 40 EKAB Cc1cccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)c1 1306817 OHRCUKUILCNSJE-UHFFFAOYSA-N 327.387 5.054 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 1434885 PWBQUOZGNKHBAA-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CCN(CC)c1cc(C)c(Cc2c(OC)ccc3ccccc23)cc1C 1665806 MKUNEBYJUPTXMK-UHFFFAOYSA-N 347.502 5.902 0 40 EKAB O=C(CSc1ccc2ccccc2c1)N[C@H]1CCCc2ccccc21 2646949 HXENFQLJJLGJQN-NRFANRHFSA-N 347.483 5.126 0 40 EKAB Clc1cccc(Sc2nc3ccccc3cc2-c2ccccc2)c1 3049420 OTGUFQVNIFETIM-UHFFFAOYSA-N 347.870 6.706 0 40 EKAB CCOC(=O)c1sc(=S)sc1SCc1ccc(F)cc1 3118833 LLHGWUKRZRSAMC-UHFFFAOYSA-N 346.495 5.147 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2)N3)C1 4545444 DAUMQCRQHARPAL-GGSKKDJASA-N 338.476 5.033 0 40 EKAB CC[C@H]1CC(CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@H](CC)C1 4672496 UKEPHQPRNBAUJR-IAGOWNOFSA-N 329.484 5.460 0 40 EKAB C[C@H](Oc1cc(Cl)ccc1Cl)c1nnc(-c2ccccc2)o1 5313580 GYWYVRHFAPBPQN-JTQLQIEISA-N 335.190 5.183 0 40 EKAB O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 5684030 QTDMHCPGGIYONV-UHFFFAOYSA-N 348.254 5.974 0 40 EKAB CCCCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 7261289 GXGHETOSVIXZFQ-UHFFFAOYSA-N 347.886 5.207 0 40 EKAB C[C@H](C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1Cl 13636141 OIEWRTLYNXMRHK-CQSZACIVSA-N 344.911 5.338 0 40 EKAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13709400 LQQIJJMAOUYDCE-INIZCTEOSA-N 349.430 5.033 0 40 EKAB Cc1ccc(NC(=O)CSc2cccc3ccccc23)cc1Cl 32691584 WTOGPGJITJRRMF-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 51354187 ICSQRGCJOHSQFR-UHFFFAOYSA-N 333.229 5.018 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C1 100744267 JLMIEJPAIDUIPY-NMFBSDBYSA-N 344.326 5.005 0 40 EKAB biogenic CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(O)cc3)C2=C(O)C1 102665068 UJJDZBFBTKMVSG-FQEVSTJZSA-N 334.419 5.264 0 40 EKAB CC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1N 218705421 VYKGJBMXYBSSAG-UHFFFAOYSA-N 340.349 5.924 0 40 EKAB CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc(C)c1C 254408672 XTPAZRMNSUKYIE-UHFFFAOYSA-N 342.895 5.739 0 40 EKAB CCCc1nc(CC(C)C)c(C(=O)O)cc1-c1ccc(Cl)cc1 585265703 YMAHYCQMOAVEGW-UHFFFAOYSA-N 331.843 5.251 0 40 EKAB CCOC(=O)c1ccc(Nc2cc(C)nc3c(C)cc(C)cc23)cc1 71956 UUJQLUXNLHIGRD-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB Nc1c(Cl)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 569851 RSTNPSSIYWQHMN-UHFFFAOYSA-N 348.016 5.691 0 40 EKAB Cc1cc(OC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl 1738982 WEEYTUZPYHGKCT-UHFFFAOYSA-N 330.598 5.566 0 40 EKAB CCCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1791822 CQYBIVQKCSYQHJ-UHFFFAOYSA-N 332.234 5.426 0 40 EKAB Cc1cccc(-c2ccc(OC(=O)c3ccccc3Cl)c(C)c2)c1 1861613 YKYMLTSRLPVFRO-UHFFFAOYSA-N 336.818 5.843 0 40 EKAB C[C@@H](CC(C)(C)C)/C(=C\C[C@@H](C)CC(C)(C)C)C1SCCS1 4792405 ZGQRHXAWTWNZJQ-JWYZISKASA-N 342.658 7.254 0 40 EKAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cccc(Cl)c3)sc2C1 8586822 QRLORHYUMDVHRP-GFCCVEGCSA-N 348.899 5.200 0 40 EKAB Cc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1C 16312521 JBMRZIAEERROQB-QFIPXVFZSA-N 329.443 5.730 0 40 EKAB Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=O)CC(C)(C)C2 16740282 CUBJLMZJIZWEQX-UHFFFAOYSA-N 339.435 5.119 0 40 EKAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(C)cc1 20040699 JDVKTSMKAXXUGB-KSSFIOAISA-N 347.911 5.397 0 40 EKAB CC1=CC(C)(C)Nc2c(C(=O)Nc3ccc(Cl)cc3)cccc21 20800283 NPXCILFCXUQXFR-UHFFFAOYSA-N 326.827 5.200 0 40 EKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccccc2F)cc1 22073003 SASZAOPHIGUNHH-UHFFFAOYSA-N 349.409 5.340 0 40 EKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 35193790 CUOJJHDEHUPGNT-VMDBXTETSA-N 342.266 5.757 0 40 EKAB CCOCOc1ccc(CN[C@@H](C)c2cccc3ccccc23)cc1 95462181 JIPMGMVUQDQLPY-KRWDZBQOSA-N 335.447 5.063 0 40 EKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccccc3F)C2=C(O)C1 100640324 QFJJOWARYZQXOV-HXUWFJFHSA-N 336.410 5.697 0 40 EKAB CCOc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1 225492251 BASXLZQLRHSKMU-IBGZPJMESA-N 342.508 5.159 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2ccc(F)cc2)C(C)C)c(C)c1 225764108 HXXOUEADTNAHMS-GOSISDBHSA-N 330.472 5.126 0 40 EKAB CCOP(=O)(OCC)/C(F)=C/c1ccc(C(F)(F)F)cc1 329780367 OWXSMRQYRSKYLV-FMIVXFBMSA-N 326.226 5.239 0 40 EKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCC 409122025 WRFYSGCLXKFKRD-UHFFFAOYSA-N 333.859 5.366 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)ccc2C)c1 362109 XCSXRTHYHNVJOZ-UHFFFAOYSA-N 331.843 5.098 0 40 EKAB CC[C@@H](C)n1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 537021 ONHBEPOFPFJOGM-GFCCVEGCSA-N 336.826 5.271 0 40 EKAB Cc1[nH]c2ccccc2c1C1=C[C@@]2(C)Nc3ccccc3[C@@H]2C(C)(C)C1 1669597 RDLLJFOTJJUYFF-ISKFKSNPSA-N 342.486 6.258 0 40 EKAB CCCCCCSc1nnc(-c2ccc(Br)cc2)o1 2061131 IKEQMXZIVMPYAG-UHFFFAOYSA-N 341.274 5.172 0 40 EKAB CCCC[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1ccccc1 2361016 ADZVWLLNCYUOKA-GOTSBHOMSA-N 349.518 6.008 0 40 EKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CCC4=C(CCC4(C)C)[C@@H]3CC[C@@H]2C1 3844087 HZSWBFWXUWMYKA-QCKABWCNSA-N 330.512 5.661 0 40 EKAB biogenic CCc1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 3999988 FRSPWUWETFUPEE-SERSOLAASA-N 346.474 5.117 0 40 EKAB biogenic CCCC[C@@H](CC)Cn1c(C)c(C(=O)OCC)c2cc(O)ccc21 4358574 XCLIDHHCPAQASU-OAHLLOKOSA-N 331.456 5.048 0 40 EKAB COc1ccc([C@H](CCNC2CCC(C)CC2)CCC(C)C)cc1 5478332 YYLVPSGPXHYKBZ-CKHPTIKVSA-N 331.544 5.773 0 40 EKAB S=C(Nc1ccccc1)N1c2ccccc2C=Cc2ccccc21 5672401 FTOGBTNRKXBRFB-UHFFFAOYSA-N 328.440 5.706 0 40 EKAB Cc1cc(C)c(C)c(CSc2nc3cc(Cl)ccc3[nH]2)c1C 5818167 SCURPUMXARGCEX-UHFFFAOYSA-N 330.884 5.742 0 40 EKAB Cc1ccsc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O 5938045 IHIQRBAXPWQQML-ACCUITESSA-N 335.428 5.180 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2C)N3)C1 6707709 NJQLWEYGWBLIBX-SJCJKPOMSA-N 326.465 5.000 0 40 EKAB O=C(C1CCC1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 7640615 XJMFSVGFMNMUHK-UHFFFAOYSA-N 342.851 5.415 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(Cl)c1C 11637278 DQSAHIDAMGYURW-GOSISDBHSA-N 331.843 5.061 0 40 EKAB Cc1ccc(C)c(OC(=O)c2ncc(Cl)c(Cl)c2Cl)c1C 15960558 UCORAANLXRXSEM-UHFFFAOYSA-N 344.625 5.186 0 40 EKAB CCCc1c(-c2ccccc2)nc2sc3c(c2c1N)CCCCC3 18323694 HQBRNJHYBFBRPM-UHFFFAOYSA-N 336.504 5.767 0 40 EKAB Cc1ccc(-c2nc(C(=O)O)c(Sc3ccc(Cl)cc3)o2)cc1 35681712 UHGHDFPWKQOPRC-UHFFFAOYSA-N 345.807 5.153 0 40 EKAB c1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)co2)cc1 35714531 ARKBFBYHUBFBSO-UHFFFAOYSA-N 341.436 5.065 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1Br 36940707 OEXSQPUVQPGIIN-UHFFFAOYSA-N 337.216 5.347 0 40 EKAB Cc1cc(N[C@H](C)c2ccccc2)n2nc(-c3ccccc3)c(C)c2n1 40216668 QNJVQHFNOHZWPW-QGZVFWFLSA-N 342.446 5.186 0 40 EKAB Cc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4F)oc3c2)c1 41085994 FEHBDSSSUJJREX-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB COCc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 223449175 KMXMFEVQMVIACD-CJLVFECKSA-N 343.426 5.012 0 40 EKAB CC1=Nc2ccccc2/C1=C(\c1ccncc1)c1c(C)[nH]c2ccccc12 226762781 WIOWRYKIPZPYSJ-WCWDXBQESA-N 349.437 5.936 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 408906016 AFIIRTPCUXLMGI-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 45940 DBBCURYPAUXJMP-UHFFFAOYSA-N 329.808 5.010 0 40 EKAB CCCCCc1ccc(-c2ccc(-c3nc(CCC)no3)cc2)cc1 2058489 FNCVJHKUELQCCE-UHFFFAOYSA-N 334.463 6.089 0 40 EKAB COc1ccc([C@H](CCN[C@H](C)c2ccccc2)CCC(C)C)cc1 2446812 APSCIINPCPVIBE-KNQAVFIVSA-N 339.523 5.956 0 40 EKAB Cn1nc(-c2ccccc2)c(CSc2cccc(Cl)c2)c1Cl 3047440 WQYNNMCZNHWKPY-UHFFFAOYSA-N 349.286 5.686 0 40 EKAB CC(C)c1ccc2c(c1)C(=O)Cc1cc(Br)ccc1S2 4128105 MSXRXGROCFLMAE-UHFFFAOYSA-N 347.277 5.463 0 40 EKAB CC(C)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 4714185 YYTIAZVYWYIOOR-ZHZULCJRSA-N 347.458 5.452 0 40 EKAB Cc1ccc(-c2ccc(NC(=O)c3ncoc3-c3ccccc3)cc2)o1 5001962 ZFGHPCCIJMAFEC-UHFFFAOYSA-N 344.370 5.162 0 40 EKAB COc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1Cl 5163903 XJGDSRLZMCCINJ-UHFFFAOYSA-N 339.782 5.090 0 40 EKAB Fc1ccc([C@H]2C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 5459999 VBKSOZNDTKACTA-CTNGQTDRSA-N 343.405 5.322 0 40 EKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Cl)c(Cl)c1 5583037 TYKXGNJWDKWBKM-UHFFFAOYSA-N 342.225 5.498 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 6205104 NUUGCNLUGTXFON-UHFFFAOYSA-N 339.504 5.159 0 40 EKAB O=C(C[C@H](C(=O)c1ccsc1)c1cccs1)c1cccs1 6513143 ONLGAPULPXHIOU-LBPRGKRZSA-N 332.471 5.111 0 40 EKAB C/C(=C\C(=O)Nc1ccc(C)c(Cl)c1)Nc1ccc(C)c(Cl)c1 6788777 MKYODHKSVPEEHU-MDWZMJQESA-N 349.261 5.565 0 40 EKAB Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CCCC3)c2c1 6789009 WOOFLHRHTXPWPX-UHFFFAOYSA-N 344.458 5.063 0 40 EKAB Cc1c(Cl)cccc1NC(=O)CCCc1c[nH]c2ccccc12 6945749 UJFQBUNYFCLNSH-UHFFFAOYSA-N 326.827 5.091 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1occc1COc1ccccc1 11479421 ZXWVNRDUUMIRNM-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB Cc1cc(C)c(NC(=O)c2occc2COc2ccccc2)c(C)c1 12619415 SRSVJHXNMPYTNE-UHFFFAOYSA-N 335.403 5.036 0 40 EKAB C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc2ccccc2c1 13003605 DYQNXSHEWSKXLU-CYBMUJFWSA-N 341.813 5.052 0 40 EKAB C[C@@H](NCc1ccccc1OCCc1ccccc1)c1ccccc1 19737864 CYISGRRQXNONOI-LJQANCHMSA-N 331.459 5.159 0 40 EKAB c1ccc(Nc2nc(CSc3nc4ccccc4o3)cs2)cc1 35567945 ZNBBWGYBVQXJRL-UHFFFAOYSA-N 339.445 5.320 0 40 EKAB CC(C)COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 36640205 JYBMZIPKAGABHG-KEZQHZCBSA-N 326.480 5.147 0 40 EKAB CC(C)(C)c1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1 45900724 KETKLVOUCKJUGP-UHFFFAOYSA-N 347.462 5.320 0 40 EKAB CC(C)Oc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C 95915470 UUJWIYNZGQECHN-UHFFFAOYSA-N 327.306 5.831 0 40 EKAB C[C@@H](c1cccs1)S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 95960713 HESYJLYCZDPFBB-MNOVXSKESA-N 348.411 5.004 0 40 EKAB C[C@@H]1[C@@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCC[C@H]1C 102662296 LVOWNOMWHJFPAW-NRUUGDAUSA-N 348.796 5.305 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 107040871 LVIZPZKJUZGKRV-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB COc1cc(Cl)c2[nH]c(C(c3ccccc3)c3ccccc3)nc2c1 216912219 ZZGAXIGZHNKYHU-UHFFFAOYSA-N 348.833 5.405 0 40 EKAB CCCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OC 409110953 HNKVIANTDQZUNO-UHFFFAOYSA-N 333.859 5.366 0 40 EKAB CCCOc1ccc(CNc2ccccc2C)cc1Br 409116793 LSHAJGDWEHLHDG-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB O=C(NCc1cccc2ccccc12)c1ccc(Cl)cc1Cl 36032 PVQPCRSXIYSSMN-UHFFFAOYSA-N 330.214 5.077 0 40 EKAB Cc1cc(Nc2ccc(Br)cc2)c2cccc(C)c2n1 183373 IJUDAFRDNWZOFP-UHFFFAOYSA-N 327.225 5.358 0 40 EKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 1393179 GBWBOCHJZMCITO-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1-c1ccccc1 3336421 SQWGBCRSNMRLAZ-UHFFFAOYSA-N 326.399 5.016 0 40 EKAB Clc1ccc(CSc2nc3cc(Cl)cnc3[nH]2)c(Cl)c1 5249062 HTZCOHWPQDXUDP-UHFFFAOYSA-N 344.654 5.210 0 40 EKAB Cc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)c1 6810606 BFAXSQRFIOHAGF-UHFFFAOYSA-N 339.822 5.084 0 40 EKAB Fc1ccc(CNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 7539826 YEODSUHREZKKCL-UHFFFAOYSA-N 333.765 5.168 0 40 EKAB C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 7684683 MHRKRWRVHLCPRF-QGZVFWFLSA-N 347.483 5.470 0 40 EKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1c(C)cccc1C(C)C 8041261 VJTVCOODPRSEAE-KRWDZBQOSA-N 329.415 5.054 0 40 EKAB O=C(CCc1ccccc1)Nc1ccc2nc(-c3ccccc3)oc2c1 8188118 FCSYOUNAMVOVJJ-UHFFFAOYSA-N 342.398 5.066 0 40 EKAB COc1ccc(NC(=O)c2ccc(C(C)C)cc2C(C)C)c(OC)c1 8987287 WHPVIGHLPOEOMT-UHFFFAOYSA-N 341.451 5.203 0 40 EKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1Cl 14258371 NPMQFWFIYQBAHX-UHFFFAOYSA-N 348.151 5.193 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCCC2)cc1 14399457 QBYMKLLACDBVNF-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB CSc1cccc(NC(=O)CSc2ccc3ccccc3c2)c1 14680550 PUQFNQFWUDXZLE-UHFFFAOYSA-N 339.485 5.293 0 40 EKAB CCCCOc1ccc(-c2n[nH]c(Nc3ccc(Cl)cc3)n2)cc1 20411717 CUOILOAPYHVDDF-UHFFFAOYSA-N 342.830 5.048 0 40 EKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(F)ccc1F 22250895 KQZOSKMRFJJDST-UHFFFAOYSA-N 336.552 5.177 0 40 EKAB CC[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(C)cc1 22528928 DKFOYLBZZWQFOL-FQEVSTJZSA-N 343.426 5.776 0 40 EKAB CCOc1ccc(CNc2ccc(Cl)cc2)cc1Br 33740182 RRLAYGFVBYEGLQ-UHFFFAOYSA-N 340.648 5.113 0 40 EKAB O=C(c1ccc(SC(F)F)cc1)N1CCC[C@@H]1c1ccsc1 46914787 PIMDLDHZCJJUIQ-CQSZACIVSA-N 339.432 5.040 0 40 EKAB CCCCc1ccc2nc(Nc3nc4cccc(C)c4o3)sc2c1 57352890 JEKHTHOJPLYBIX-UHFFFAOYSA-N 337.448 5.832 0 40 EKAB CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 59795563 YIHLECCSMGDQDE-UHFFFAOYSA-N 343.883 5.480 0 40 EKAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1OC(F)(F)F 95917420 BTEJEPXIUTYVEM-UHFFFAOYSA-N 335.108 5.123 0 40 EKAB O=C(CCc1cccc2ccccc12)Nc1ccc(N2CCCC2)cc1 224934927 BEONGHHRFNVEJM-UHFFFAOYSA-N 344.458 5.011 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c2ccccc12 225847029 LYNNYTGDXCQXTI-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB Cc1cc(-n2cccc2)cc2nc(-c3ccc(F)cc3Cl)oc12 226248026 BZOPXRCFTFRFGF-UHFFFAOYSA-N 326.758 5.386 0 40 EKAB COc1ccc([C@@H](C)NC(=O)c2sc3ccccc3c2Cl)cc1 206459 UZKIMOBSAKLHHB-LLVKDONJSA-N 345.851 5.054 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ccccn23)cc1 427561 HIGQZVUDPATZLF-UHFFFAOYSA-N 342.446 5.119 0 40 EKAB CCCc1ccc([C@@]2(C)CC(C)(C)N(C(C)=O)c3ccccc32)cc1 1456304 IFRCSCUSLBTKCF-HSZRJFAPSA-N 335.491 5.480 0 40 EKAB Oc1ccccc1-c1cc(-c2ccccc2F)c2cc(Cl)ccc2n1 3345347 VAPRARGCAHDZAW-UHFFFAOYSA-N 349.792 6.067 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(-c2cccs2)o1 5459024 SSEJHUHZEWMJTC-MRVPVSSYSA-N 341.219 5.245 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c(C)c1 6010784 TXFQQTQZKCPOFC-QGZVFWFLSA-N 333.431 5.171 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1C(F)(F)F 6648965 WAJJOAKTXFDRSP-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1ccc2c(c1)CCCN2C(c1ccc(F)cc1)c1ccc(F)cc1 8232853 AFXVSPTYTCHRKA-UHFFFAOYSA-N 349.424 5.815 0 40 EKAB Cc1ccc(-c2nc3ccccc3c(=O)n2CCC2=CCCCC2)cc1 13637329 CEEPDADJSMOCMI-UHFFFAOYSA-N 344.458 5.262 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)cc1Cl 17338578 HLVCPVLHRRKAQK-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB Cc1cccc(O[C@@H](C)CNc2cccc(OCc3ccccc3)c2)c1 19738467 UXUSVNORTCUIAP-IBGZPJMESA-N 347.458 5.453 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(C)C 30871815 YYJLQIXXQNVHEA-JOCHJYFZSA-N 347.458 5.759 0 40 EKAB O=C(N[C@H](c1ccc(Cl)cc1)c1ccsc1)c1ccc(F)cc1 58367931 FCPSPNVTQREVDM-QGZVFWFLSA-N 345.826 5.060 0 40 EKAB CCC(=O)c1cccc(NC(=O)c2oc3ccc(CC)cc3c2C)c1 82087378 QMLDNDCTKXLRGQ-UHFFFAOYSA-N 335.403 5.149 0 40 EKAB c1ccc(C/N=c2\scc(-c3cccs3)n2-c2ccccc2)cc1 100058725 YHCWLODAGQQOPJ-MRCUWXFGSA-N 348.496 5.368 0 40 EKAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102323616 XFLBGYFVIHCDBA-JIYIMXKPSA-N 335.447 5.033 0 40 EKAB COc1ccc(-c2cc(=O)oc3cc4occ(C(C)(C)C)c4cc23)cc1 489540 QENHSRNRJAAHPX-UHFFFAOYSA-N 348.398 5.512 0 40 EKAB biogenic CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 2714974 IDYJLQUSXBCYJF-UHFFFAOYSA-N 342.446 5.218 0 40 EKAB Cc1cc(OC(=O)Cc2c(Cl)cccc2Cl)cc(C(C)C)c1 3249070 FRDZKBCADUZUKJ-UHFFFAOYSA-N 337.246 5.573 0 40 EKAB O=C(Nc1ccc2sccc2c1)C(c1ccccc1)c1ccccc1 4134737 VRNOGDOXPYFJEX-UHFFFAOYSA-N 343.451 5.672 0 40 EKAB O=C(c1ccc(Cl)cc1)c1cnc2ccccc2c1-c1ccccc1 4334764 LFPIEYPSQCPIKJ-UHFFFAOYSA-N 343.813 5.786 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1 5165342 BQEDMIWGPBWXJP-UHFFFAOYSA-N 327.836 5.224 0 40 EKAB Cc1ccc(-c2csc(/C=C/c3ccccc3OC(C)C)n2)cc1 6048988 XVQKNTJWEKGPTP-OUKQBFOZSA-N 335.472 6.076 0 40 EKAB COc1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 6713426 BJNIFTCQSJFIHO-FQEVSTJZSA-N 335.428 5.646 0 40 EKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc12 7348980 UPNCIGLVCSDVPG-UHFFFAOYSA-N 338.476 5.463 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1nc2ccccc2s1 8382788 CYCUOQYQXSFATL-UHFFFAOYSA-N 348.427 5.101 0 40 EKAB COc1ccc(Nc2nnc(S[C@H](C)c3ccccc3)s2)cc1 10786366 ZTBJECWAQMPEIO-GFCCVEGCSA-N 343.477 5.144 0 40 EKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CCCC5)[C@H](C)CCC3)c1 12610119 BUMWNVSHXNDZMO-OAHLLOKOSA-N 347.527 6.590 0 40 EKAB CCCCCCNc1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 36614064 IDCBWJINEPVEFR-UHFFFAOYSA-N 333.426 5.690 0 40 EKAB COc1ccc2oc(C)c(C(=O)Nc3ccc4ccccc4c3)c2c1 41156475 LEEGCRXOTQINCY-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)O 68735430 MBMBGCFOFBJSGT-SPLYAIOESA-N 328.496 6.549 0 40 EKAB Cc1ccc(NC(=S)Nc2c(C)cccc2Cl)cc1Cl 71761802 JUXGJUBGHBHNLJ-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB C[C@@]12CC3CC(NC(=O)Nc4cccc5ccccc45)(C1)C[C@@](C)(C3)C2 100980734 NBLJRYLEFRRPAT-HPISXYKUSA-N 348.490 5.710 0 40 EKAB Clc1ccc(Cl)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 216916010 YBECUSRCHGNQPZ-UHFFFAOYSA-N 332.017 5.844 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223401723 XPTQHWCMDGYJNN-ZWKOTPCHSA-N 341.520 5.278 0 40 EKAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCc1ccc(Cl)cc1 225309302 VLAPGNCJSWKETI-MRXNPFEDSA-N 343.898 5.145 0 40 EKAB CC(C)c1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225344230 SPQMHDCJZHYZRQ-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB CCCCc1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 226240110 LZIIUTHESCIGIW-UHFFFAOYSA-N 339.866 6.555 0 40 EKAB COc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1 50727 RUZGWFZOHDVZDI-XNTDXEJSSA-N 345.398 5.139 0 40 EKAB CC[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 365379 GTGFBBFWPXKXGC-ZDUSSCGKSA-N 341.760 5.491 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1 505786 VPLLDHMYLUPTQF-MRXNPFEDSA-N 333.431 5.371 0 40 EKAB CCN(C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 932766 WTXUTYKABDSPRR-UHFFFAOYSA-N 348.880 5.192 0 40 EKAB c1ccc2[nH]c(CCCCCCCc3nc4ccccc4[nH]3)nc2c1 1683827 NGFIPNAXPMRBAC-UHFFFAOYSA-N 332.451 5.175 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(OCc4ccccc4Cl)c23)C1 2633404 IDDKMYHUDMKWQA-NSHDSACASA-N 344.867 5.049 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1-c1ccccc1 3291051 SIPISQABMWMBJB-CCEZHUSRSA-N 333.818 5.659 0 40 EKAB Cc1ccc(OCCn2c(-c3cccc(C)c3)nc3ccccc32)cc1 4317684 DZPNKRMWXRXHLG-UHFFFAOYSA-N 342.442 5.399 0 40 EKAB Clc1ccccc1-c1nnc(COc2ccc3ccccc3c2)o1 4511505 GGFMPSWHCVAKCN-UHFFFAOYSA-N 336.778 5.122 0 40 EKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(c2cccc(C)c2)C1=O 5376134 NEZUPEXXIWISFX-YAIVMUPMSA-N 335.428 5.182 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1 5903650 HOJSWHODWGLVGX-DTQAZKPQSA-N 329.443 5.789 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5920072 WIWIXNXBHJVZNI-OQZMBBBRSA-N 344.539 5.151 0 40 EKAB CC(C)c1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6347710 VDUDVYLAZNSNCE-KUDFPVQQSA-N 333.431 5.335 0 40 EKAB CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 6870033 QIXGHMPERRVSRJ-UHFFFAOYSA-N 348.837 5.173 0 40 EKAB Cc1cc(Cl)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10493563 ZCYKFPOEJCLJHY-UHFFFAOYSA-N 346.139 5.030 0 40 EKAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1 20457030 BZSQHMMNJIDTGB-LPHOPBHVSA-N 327.493 5.052 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(C)C 22509204 CMLGEWWYYQBTMP-KRWDZBQOSA-N 331.843 5.260 0 40 EKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 40913181 LZNJTGXNYHMQKD-INIZCTEOSA-N 345.870 5.288 0 40 EKAB Cc1cc2c(cc1C)N[C@@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 102643717 MYVQDKNWWJSXFV-QFIPXVFZSA-N 346.474 6.175 0 40 EKAB C1=C(c2ccccc2)N2CCO[C@@]23CCCC[C@@H]3[C@H]1c1ccccc1 102743115 IIWHIPPFNCKTOT-MQSCRBSSSA-N 331.459 5.044 0 40 EKAB CC[C@@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc2c(c1)CCCC2 223145108 BOEHJKLLYOZILS-JOCHJYFZSA-N 335.491 5.372 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OCCC 256123978 FVYDLXGAUHZBJE-OBDLBYTHSA-N 346.555 7.085 0 40 EKAB Cc1sc2nc(-c3cccs3)nc(O)c2c1-c1ccc(F)cc1 514928576 HSKFNGPCFXLTGU-UHFFFAOYSA-N 342.420 5.240 0 40 EKAB CC(C)(C)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 180443 AQMSBYRYGRMVRV-UHFFFAOYSA-N 335.281 5.163 0 40 EKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 512864 IYNGAWPSESAIHU-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CC(C)(c1ccccc1)c1cc(O)c(C(C)(C)c2ccccc2)cc1O 1665805 ZWZHTSWRPYHCGO-UHFFFAOYSA-N 346.470 5.750 0 40 EKAB O=Cc1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3172887 XIAVZVHEKLCBBJ-UHFFFAOYSA-N 344.345 5.041 0 40 EKAB Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)cc1)Sc1ccccc1N2 4747373 XSXKSSNTTTUTRC-SFHVURJKSA-N 339.391 5.026 0 40 EKAB CCOc1cc(/C=C/c2nc3ccccc3s2)cc(Cl)c1O 5935912 RFCCXQNCDHLCMX-BQYQJAHWSA-N 331.824 5.224 0 40 EKAB CC(C)CCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 6325517 KSGMEMJSKKVTJG-NBVRZTHBSA-N 327.855 5.043 0 40 EKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1c(F)cccc1F 6925693 XTTIFYBWWSGGLT-UHFFFAOYSA-N 336.552 5.177 0 40 EKAB O=C(Nc1ccccc1)N(Cc1cccs1)c1ccc(Cl)cc1 8586719 RZIFCEJJPPYDCF-UHFFFAOYSA-N 342.851 5.640 0 40 EKAB Cc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 12979981 WLHCVGVZMJECMJ-GOSISDBHSA-N 340.423 5.107 0 40 EKAB O=C(c1cc2ccccc2s1)N1CCCSc2ccccc21 14238861 GAAWBSKPICMESA-UHFFFAOYSA-N 325.458 5.044 0 40 EKAB CCCCCC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1OC 14257945 NERREGSXBJZEIJ-UHFFFAOYSA-N 338.407 5.022 0 40 EKAB Cc1ccc(N2C(=O)c3ccccc3S[C@H]2c2ccc(F)cc2)cc1 26507559 HGKPIUCEALLRSC-NRFANRHFSA-N 349.430 5.585 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)/C=C/c2nc3ccccc3s2)cc1 32963882 WPZNVEWEBGHIBF-XTZCOPOCSA-N 336.460 5.462 0 40 EKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cnc2ccccc2c1 72219595 KQVGXGCJDWJTEZ-OAQYLSRUSA-N 346.430 5.099 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219597288 JZRWPBZGJFITCC-SFTDATJTSA-N 339.479 5.037 0 40 EKAB Cc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)oc12 226044079 VLIKDICFWMTIED-UHFFFAOYSA-N 343.382 5.786 0 40 EKAB COc1ccc(NC(=O)[C@@H]2C[C@@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)cc1 248145233 WCIHNRBFLFNLEP-OSYLJGHBSA-N 345.527 5.758 0 40 EKAB CC(C)Oc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 408574390 HWJPSRPQLVHKGO-ZDUSSCGKSA-N 349.883 5.247 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 408617054 BHNPVHUMEZBNON-UHFFFAOYSA-N 343.785 5.608 0 40 EKAB Cc1cccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c1 408832926 SFLQWCGWYLHQOO-UHFFFAOYSA-N 343.426 5.264 0 40 EKAB CC(=O)Oc1ccccc1C1SCc2cc(C)c(C)cc2CS1 349927 CTSIGIBNWOHQOI-UHFFFAOYSA-N 344.501 5.408 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1F)c1cccnc1 352701 WXYHSPKDEXDKGA-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(Oc4ccc(Cl)cc4)c23)C1 383335 DYUOPNYEMDIGON-JTQLQIEISA-N 330.840 5.262 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(F)cc1)c1cccnc1 564631 XAHFKMWJGJFWHB-NRFANRHFSA-N 331.394 5.212 0 40 EKAB Clc1nc(CSc2ccccc2)nc2sc3c(c12)CCCC3 3222743 DDKXLNWDGWPPCD-UHFFFAOYSA-N 346.908 5.516 0 40 EKAB in-vitro CCCCc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 3309517 XHIYVXSNFDDMDG-UHFFFAOYSA-N 344.867 5.545 0 40 EKAB O=C(Oc1ccc(Oc2ccccc2)cc1)c1cc2ccccc2o1 3566570 PDGOOSYQQAVQSY-UHFFFAOYSA-N 330.339 5.444 0 40 EKAB Cc1ccc2c(C)cc(SCc3ccc(Cl)cc3)nc2c1C 4126843 LPWHACYWSIYCNU-UHFFFAOYSA-N 327.880 6.106 0 40 EKAB Clc1ccccc1Nc1nnc(-c2ccc3ccccc3n2)s1 4745092 DOKIXGBNAFAOQK-UHFFFAOYSA-N 338.823 5.150 0 40 EKAB Fc1cccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)c1 6315819 IIQSZPXFMCQNTA-UHFFFAOYSA-N 327.362 5.084 0 40 EKAB CCc1cccc(Oc2nc(-c3cccnc3)nc3ccccc23)c1 6560783 OITQFGJEKAXZGW-UHFFFAOYSA-N 327.387 5.047 0 40 EKAB O=C(CNc1cccc2ccccc12)Nc1cc(Cl)ccc1Cl 7955228 BORIKNYMAVWTAZ-UHFFFAOYSA-N 345.229 5.197 0 40 EKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 8224138 WKFUTZFRWYZGTG-LLVKDONJSA-N 340.275 5.254 0 40 EKAB Cc1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1 9875857 QDLQUOADXSEPPE-UHFFFAOYSA-N 344.458 5.339 0 40 EKAB Cc1cc(CN(Cc2cccnc2)Cc2cccs2)c(C)s1 13569764 WLAJLXDPZYGDTN-UHFFFAOYSA-N 328.506 5.024 0 40 EKAB CCCc1nnc(-c2cc3ccccc3n2Cc2cccc(C)c2)o1 17287296 FFSWBKKLOZFMQD-UHFFFAOYSA-N 331.419 5.001 0 40 EKAB CC(C)C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 21835451 PWOXPYKBTHHOHY-KRWDZBQOSA-N 337.797 5.135 0 40 EKAB C[C@H](c1cccs1)N(C)C(=O)c1cccc(Oc2ccccc2)c1 24538414 FOKIBLHZLJGGAP-OAHLLOKOSA-N 337.444 5.374 0 40 EKAB O=C1CC(=S)N(c2ccc(-c3ccccc3)cc2)c2ccccc2N1 28526929 SJEJYCIKZMKZPM-UHFFFAOYSA-N 344.439 5.161 0 40 EKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2[nH]ccc12 90610280 OKMNPTRBKGHHPO-UHFFFAOYSA-N 338.716 5.092 0 40 EKAB Cc1ccccc1NC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C 96037344 DZOURDLORMWUPF-UHFFFAOYSA-N 345.446 5.275 0 40 EKAB CCCO[C@@](C)(CC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225732473 HEXVXHSWWPNXRQ-JXFKEZNVSA-N 335.488 5.015 0 40 EKAB CCCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225838242 WDRITBXVBFIDCK-OAHLLOKOSA-N 343.467 5.161 0 40 EKAB CC[C@H](C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 575360790 ILQZKFBTPBUFLW-ZDUSSCGKSA-N 326.745 5.735 0 40 EKAB Cc1c(-c2ccccc2OC(=O)c2ccccc2)[nH]c2ccccc12 35285 RRCAMRVMCILINC-UHFFFAOYSA-N 327.383 5.363 0 40 EKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cl)cc1 138969 HBCTZYPVIRKBQB-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB CC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 323663 SYMFKPIIIJMTDC-ZDUSSCGKSA-N 338.838 5.084 0 40 EKAB COc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCC2)cc1 417119 DIXIAYKQWUCQRF-UHFFFAOYSA-N 341.842 5.018 0 40 EKAB CC(C)Oc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1 553635 XIMPBUMNJVEXKQ-UHFFFAOYSA-N 347.462 5.074 0 40 EKAB Cc1c(Cl)cccc1NC(=O)Oc1ccc(-c2ccccc2)cc1 1741559 VIKGGKCRKWEYDU-UHFFFAOYSA-N 337.806 5.926 0 40 EKAB CC(C)(C)c1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1 3314635 FTTHAOGJDQUSNX-UHFFFAOYSA-N 337.246 5.648 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1CCCc2ccccc21 3371417 IXBKCMZHBFDNFQ-INIZCTEOSA-N 336.218 5.620 0 40 EKAB O=C(CCCc1nc2ccccc2s1)Nc1ccc(Cl)cc1F 3457626 NUXSFRLEYGIHSB-UHFFFAOYSA-N 348.830 5.050 0 40 EKAB Clc1ccc(OC[C@H](Cn2ccnc2)c2ccc(Cl)cc2)cc1 5386099 VBYLRNGSDRMLGR-HNNXBMFYSA-N 347.245 5.053 0 40 EKAB CCCc1cc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)ccn1 8040486 STVWZONPEQMBOT-UHFFFAOYSA-N 349.286 6.131 0 40 EKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccccc1 8535326 HNNNTKYRBRTFBM-GOSISDBHSA-N 347.458 5.125 0 40 EKAB CC(C)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1 12888617 OQJRUNPGAXCGFT-UHFFFAOYSA-N 335.403 5.234 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1F 13794297 PSNFQYXCLDRVRX-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(Cl)c1Cl 14013468 SYOHQOAMQWBWAO-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 14202320 GJDDVZLWVRSCLX-IRXDYDNUSA-N 348.471 5.293 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1C 20042874 FBSYATVOXVEWOV-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB O=C(CCc1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1 26147065 RLFSGRJJFAXUTK-UHFFFAOYSA-N 348.427 5.128 0 40 EKAB O=C(N1CCC[C@H]1c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 36620707 TUMHEZHZRFELLU-IXYLRAAXSA-N 343.898 5.220 0 40 EKAB CC(C)Cc1nnc([C@H](C)Sc2ccc(Cl)c(Cl)c2)o1 95403419 YULHOVSTUZGHGT-VIFPVBQESA-N 331.268 5.428 0 40 EKAB CC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 223133435 HMWRXBHBWYUCIH-IBGZPJMESA-N 345.845 5.239 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 223350408 WWJMLAFEEDQXLR-ROUUACIJSA-N 339.479 5.072 0 40 EKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(F)c1 224954977 MXBHFRCYHLARIJ-UHFFFAOYSA-N 337.419 5.370 0 40 EKAB COc1ccc(CC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 225148809 SVYCJSSMGVJOEX-UHFFFAOYSA-N 345.398 5.084 0 40 EKAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(C)cc1 226097354 IWTWGXDPAALCGN-UHFFFAOYSA-N 346.268 5.135 0 40 EKAB CCc1ccccc1NCc1ccc(OCc2cccc(F)c2)cc1 409109385 CQCBFECVWJXUKQ-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB Clc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1 177081 FBQPKILNVMNINY-UHFFFAOYSA-N 331.806 5.694 0 40 EKAB Cc1ccc2ccccc2c1NC(=O)COc1ccc2ccccc2c1 411594 BUYBQXJOSZOBAD-UHFFFAOYSA-N 341.410 5.319 0 40 EKAB CCCCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 1776740 FFBUTBRWNUQYBQ-UHFFFAOYSA-N 343.279 5.169 0 40 EKAB CCCCN(CCCC)C[C@@H](O)c1ccc(Cl)c(C)c1Cl 2042716 SGEGJUUAHSLYGV-MRXNPFEDSA-N 332.315 5.237 0 40 EKAB CC(C)(C)c1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc12 2187242 HGYUNTMZXLLZIA-UHFFFAOYSA-N 338.454 6.261 0 40 EKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1 2455206 QRUVKJDUQQRNAS-UHFFFAOYSA-N 340.213 5.394 0 40 EKAB CC(=O)c1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1 3611466 FPTGVZXRGLQCRN-UHFFFAOYSA-N 347.867 5.054 0 40 EKAB CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1Cl 4138442 XHALTXUWTUONOK-UHFFFAOYSA-N 327.811 5.194 0 40 EKAB CC(C)C1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H]1C 4143645 QTCCWCRPTWVSSV-CZQWAENCSA-N 337.507 5.074 0 40 EKAB Cc1cccc2sc(NC(=O)c3cc(Cl)sc3Cl)nc12 4173446 KQFRWRPGLYFLHE-UHFFFAOYSA-N 343.260 5.225 0 40 EKAB O=C(CCCc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1 6085399 TZRVSOJHULBHMY-UHFFFAOYSA-N 347.245 5.436 0 40 EKAB COc1ccccc1-c1ccnc2c(-c3ccc(Cl)cc3)c(C)nn12 6668590 UFXOAQUUUXJFDV-UHFFFAOYSA-N 349.821 5.034 0 40 EKAB CC(C)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 7668580 XCCNGBRJFMOVJG-UHFFFAOYSA-N 345.442 5.641 0 40 EKAB C[C@@H](C(=O)Nc1cccnc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420266 INAHGKNWLLNKOI-GFCCVEGCSA-N 349.821 5.112 0 40 EKAB Cc1oc(-c2cccs2)nc1CSc1nc2ccccc2o1 10485874 KQOXBODZJVLFKQ-UHFFFAOYSA-N 328.418 5.145 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 20481472 JZAWJPFPWNYVJU-NRFANRHFSA-N 347.458 5.507 0 40 EKAB COc1cc(C(C)=O)ccc1OCc1c(C)cc(C(C)(C)C)cc1C 23055267 BFUZOMLSGLPDSO-UHFFFAOYSA-N 340.463 5.391 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 28539700 ZKZJTGKRMFGULF-ZDUSSCGKSA-N 333.435 5.012 0 40 EKAB O=C(/C=C/c1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1 36639810 MHIBSTASJOWXCZ-GQCTYLIASA-N 331.746 5.072 0 40 EKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccccc2Cl)CCC1 102652094 SEXWXBSBUCDIMX-LJQANCHMSA-N 349.821 5.361 0 40 EKAB C1=C[C@H](c2ccccc2)N2[C@@H](C(c3ccccc3)=N1)[C@H]2c1ccccc1 104145782 JPUIYIOUQXRCMW-FWVWHYQZSA-N 336.438 5.170 0 40 EKAB CC[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc(C)cc1 222675758 LQDUQAFEBNDOIT-JOCHJYFZSA-N 331.459 5.348 0 40 EKAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(C)c(C)c1 222838046 XTKQGONOMRWBGE-JOCHJYFZSA-N 347.458 5.103 0 40 EKAB CC(C)(Cc1ccccc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 223325672 KYVJYGPQKGUGDQ-DTQAZKPQSA-N 335.491 5.135 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(C)c2C)c1 224136369 AJNFLWKJWJLAEU-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB CCCO[C@](C)(CCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225740654 MYAKJDJGZGIVRS-LAUBAEHRSA-N 349.515 5.405 0 40 EKAB CC(C)c1ccccc1NCc1ccc(-c2ccc(Cl)cc2)o1 226240066 OYIDFLOCHLJTOM-UHFFFAOYSA-N 325.839 6.336 0 40 EKAB Cc1ccc(-n2c(C)nnc2SCc2ccc3ccccc3c2)cc1 409108321 VYUWZWSEOYMOQM-UHFFFAOYSA-N 345.471 5.330 0 40 EKAB CC[C@H](C(=O)N[C@@H](C)Cc1csc2ccccc12)c1ccccc1 575621734 SBVCVSWYDAEEMQ-YJBOKZPZSA-N 337.488 5.142 0 40 EKAB CC(C)c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 1049813 TXWBHMMFTISQNZ-UHFFFAOYSA-N 343.470 5.258 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)C1(Br)CCCCC1 1754434 FCUFAKQJUUBZNR-UHFFFAOYSA-N 343.264 5.634 0 40 EKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 6113493 CXNRHJXUBPSSBF-VIZSFHNOSA-N 333.475 5.298 0 40 EKAB Cc1c(Cl)cccc1NC(=O)Cc1coc2ccc(C(C)C)cc12 6809875 LDDVRTWGOVDUBC-UHFFFAOYSA-N 341.838 5.699 0 40 EKAB O=C(O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 7604047 SBSWCNRQRHRKLP-UHFFFAOYSA-N 347.197 5.424 0 40 EKAB c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)cc1 7847091 ZAXFHKHAVOBYLB-UHFFFAOYSA-N 339.394 5.340 0 40 EKAB CCc1cccc(C)c1NC(=O)c1sc(-c2cccs2)nc1C 8060485 YWAUGKJPPGXLON-UHFFFAOYSA-N 342.489 5.303 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708340 MWANPLDSUCSJEM-CQSZACIVSA-N 339.822 5.208 0 40 EKAB CCCCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 14257963 XHJWSTGRSKXDCU-UHFFFAOYSA-N 336.435 5.630 0 40 EKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(C3CCCC3)n2)c1 17072415 ZKUVDLWAZBHOMK-UHFFFAOYSA-N 348.446 5.349 0 40 EKAB CC(C)(C)NCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 20158606 NYBSDXURILKDGQ-UHFFFAOYSA-N 331.765 5.507 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1 48326101 UKMZGCGNTGXKSW-UHFFFAOYSA-N 346.839 5.234 0 40 EKAB C[C@H]1C[C@H]2CCc3ccc4ccccc4c3[C@@H]2c2c1ccc1ccccc21 71785198 QGYAOHODJSDTPT-JHACJNOPSA-N 348.489 7.195 0 40 EKAB Clc1ccc(Cl)c(-c2ccc(-c3nc4ccccc4[nH]3)o2)c1 85345343 DRULLTRSUXJZHD-UHFFFAOYSA-N 329.186 5.797 0 40 EKAB COc1ccc(CCc2ncc(-c3ccc(Cl)cc3)s2)cc1 98212463 PJIQOAUTORKJRN-UHFFFAOYSA-N 329.852 5.257 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)c1 113941178 IBZZQQMGWNYQIL-INIZCTEOSA-N 343.426 5.694 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1ccccc1 224474456 TUJNYOKGOZBJFD-KSSFIOAISA-N 347.911 5.131 0 40 EKAB Cc1ccc(SCC(=O)Nc2cccc(Cl)c2Cl)cc1 41798 QDNUSHRZMIAPJS-UHFFFAOYSA-N 326.248 5.033 0 40 EKAB Fc1ccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)cc1F 165900 SJADJKOKPDGNMC-UHFFFAOYSA-N 343.185 5.457 0 40 EKAB CCOP(=O)(OCC)OCC(c1ccccc1)c1ccccc1 1557075 WDQVLZOUXVKHOG-UHFFFAOYSA-N 334.352 5.016 0 40 EKAB Cc1cc(-c2ccccc2)c(C)c(-c2ccccc2)c1-c1ccccc1 1573441 WDCWMALKEZCGRB-UHFFFAOYSA-N 334.462 7.304 0 40 EKAB Cc1ccccc1C(=O)c1ccccc1Cc1cccc2ccccc12 1654321 KVXFAIWAXUMQNI-UHFFFAOYSA-N 336.434 5.970 0 40 EKAB CC(C)Oc1ccc([C@H](CCNCc2ccccc2)C(C)C)cc1 1826518 PSDACXDDUBJSOW-JOCHJYFZSA-N 325.496 5.393 0 40 EKAB biogenic CC(C)N(Cc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 2305141 YNLHNGLSMJZPOZ-UHFFFAOYSA-N 343.470 5.256 0 40 EKAB O=C(Nc1ccccc1)N(c1ccccc1)c1cccc2ccccc12 3082460 ILBLPSBKZIAKGG-UHFFFAOYSA-N 338.410 6.210 0 40 EKAB biogenic CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 4107093 LIJUIJVTORWZDZ-UHFFFAOYSA-N 342.467 5.928 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 5007841 CNHVTIQFJGRZJK-UHFFFAOYSA-N 331.459 5.509 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C 5509695 BQIWDGSVLUONSV-CYBMUJFWSA-N 337.419 5.516 0 40 EKAB Clc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1 5545667 FZTSDBJTVFMSFN-UHFFFAOYSA-N 338.882 6.327 0 40 EKAB CCOC(=O)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 5575521 CHVAZIBYKIHFHJ-JOCHJYFZSA-N 330.427 5.165 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@@H]1CCCc2ccccc21 6232018 TZBBNWLBJHEPCO-SXAWMYDMSA-N 346.257 5.200 0 40 EKAB CCCCCCNC(=O)Nc1ccccc1Sc1ccccc1 6264042 REGZWVURQXIEBS-UHFFFAOYSA-N 328.481 5.540 0 40 EKAB Cc1cccc(NC(=O)CCc2ccc(-c3ccccc3Cl)o2)c1 6541928 PQQNMBWCNZISJJ-UHFFFAOYSA-N 339.822 5.480 0 40 EKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 7375645 HVYHJMACOHJNDJ-AWNIVKPZSA-N 349.405 5.138 0 40 EKAB Cc1ccc(SCCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 7511298 WPIBMXGLKSULKW-UHFFFAOYSA-N 347.483 5.368 0 40 EKAB O=C(CCCSc1ccccc1)Nc1ccc2sccc2c1 9473281 HKFDNVRIXAVKBV-UHFFFAOYSA-N 327.474 5.412 0 40 EKAB CCc1ccc(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 10812417 MXJXZZKWZZTEGU-UHFFFAOYSA-N 343.470 5.021 0 40 EKAB CC(C)c1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 12821313 SCNJXADETMWAFQ-UHFFFAOYSA-N 342.489 5.176 0 40 EKAB Cc1cc(C)c(NC(=O)c2sc(-c3ccsc3)nc2C)c(C)c1 12889866 HHKCVLHELLBXAV-UHFFFAOYSA-N 342.489 5.358 0 40 EKAB CN(C(=O)CSCc1ccc(Cl)c(Cl)c1)C1CCCCC1 22521721 UEHHLLNWJJFEJY-UHFFFAOYSA-N 346.323 5.018 0 40 EKAB Cc1ccc(-c2nc3sc(C4CCCCC4)nn3c2C)cc1C 28540110 KNFHFJDZZQPRQW-UHFFFAOYSA-N 325.481 5.431 0 40 EKAB Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccccc1 35167028 WOJPYXBMGJPVLA-UHFFFAOYSA-N 345.265 5.625 0 40 EKAB O=C(c1sccc1-c1ccccc1)N1CC[C@@H](c2ccccc2)C1 89851232 CCGOXKNELQRDOK-GOSISDBHSA-N 333.456 5.045 0 40 EKAB C[C@]12CC3CC(C(=O)Nc4nc5ccccc5s4)(C1)C[C@](C)(C3)C2 101024205 AWXOMXZGBCOYRJ-QEJKFARNSA-N 340.492 5.231 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 223350299 WWJMLAFEEDQXLR-ZWKOTPCHSA-N 339.479 5.072 0 40 EKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCCC2)cc1 223375348 GHTUHBPRFUKRIK-UHFFFAOYSA-N 345.826 5.270 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225114887 SULGUEYVEVOWTH-MSOLQXFVSA-N 333.516 5.218 0 40 EKAB Cc1cccc([C@H](NC(=O)Cc2ccccc2Cl)c2ccccc2)c1 225440758 PWOYMOXAPPUSDE-JOCHJYFZSA-N 349.861 5.097 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225468657 RINJNDIYGUMOHG-GFCCVEGCSA-N 338.398 5.061 0 40 EKAB CC(C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408573717 NOEVTEJZMJVUPD-FYWRMAATSA-N 331.415 5.722 0 40 EKAB Fc1cccc(COc2cccc(CNc3ccc(Cl)cc3)c2)c1 409179990 SNATZXKBQOPITM-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)c1ccc2ccccc2c1 157669 BIOXMSMTTAVQBJ-UHFFFAOYSA-N 346.817 5.218 0 40 EKAB Cc1cccnc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 372318 NOQKFVQMHBNQNV-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 4045025 HPUKTKKGLYHEOL-UHFFFAOYSA-N 337.250 5.092 0 40 EKAB Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)cc1C 4078622 BJJUQELGMLIDPI-BQYQJAHWSA-N 340.473 5.140 0 40 EKAB aggregator c1ccc(-c2ccc(CSc3nnc(-c4ccco4)o3)cc2)cc1 4836062 UFXNGKRYRGZJLC-UHFFFAOYSA-N 334.400 5.289 0 40 EKAB CC(C)COc1ccccc1[C@H]1CC(=O)Nc2c1ccc1ccccc21 6820131 PDZSEKAPNDVFLJ-HXUWFJFHSA-N 345.442 5.349 0 40 EKAB COc1cccc(-c2nc(-c3ccc(C)c(C)c3)cs2)c1OC 12791024 FRRAJIZWXLRISL-UHFFFAOYSA-N 325.433 5.111 0 40 EKAB O=C(Nc1cccc2ccccc12)N(Cc1ccco1)CC(F)(F)F 12927587 WVWJEKCTJYBLSG-UHFFFAOYSA-N 348.324 5.029 0 40 EKAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4[nH]ccc4c3)s2)cc1 13719770 WZPCMWNFPRQSLH-UHFFFAOYSA-N 347.443 5.161 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2ccccc2Sc2ccccc2)c1 20041675 ZQMSYBWHNLPRCZ-UHFFFAOYSA-N 347.483 5.636 0 40 EKAB c1ccc([C@@H]2CCCN2Cc2csc(-c3ccsc3)n2)cc1 32889927 VOIFGICFOYTODQ-KRWDZBQOSA-N 326.490 5.209 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C)c1C 44883284 GWGHUPXAUWQGAR-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB CCCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1 66351978 WQYLIZKSPNCLRH-UHFFFAOYSA-N 330.531 7.486 0 40 EKAB Fc1cc(F)cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 71761045 ICTSAYCAKKRKMC-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C 95836500 PIFXUIIBYSDKKY-UHFFFAOYSA-N 338.454 5.340 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(Cl)c2C)cc1 222876935 LBNQZDIXYVYIRP-GOSISDBHSA-N 331.843 5.007 0 40 EKAB CC(C)c1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225045892 MEJYMTXFTNPMFG-HXUWFJFHSA-N 326.436 5.008 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3ccccc3)n2)c(C)c1 193656 WVAGUWYSUMWKHO-MDZDMXLPSA-N 348.471 5.387 0 40 EKAB Fc1ccc(CSC2=Nc3cc(Cl)ccc3SCC2)cc1 1386903 GHMSYVUFVTUQJX-UHFFFAOYSA-N 337.872 5.938 0 40 EKAB CCCN(CCC)[C@H](C)[C@@H](O)c1cc2c(c3ccccc13)CCCC2 1706395 BQHOCPDJYJKEBN-UZUQRXQVSA-N 339.523 5.263 0 40 EKAB CCCCOP(=O)(OCCCC)Oc1cccc2ccccc12 1732707 PLDKUKDLHVUHPY-UHFFFAOYSA-N 336.368 5.960 0 40 EKAB CCCCS[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1 3117143 APXUIYCXVCMYTJ-HOTGVXAUSA-N 326.889 5.341 0 40 EKAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 3208609 SMYYASWOMYOBOE-UHFFFAOYSA-N 345.682 5.133 0 40 EKAB aggregator C[C@@]1(c2cc3ccccc3o2)Nc2ccccc2C(=O)N1C1CCCC1 3418884 KUZUABFFKKINHX-JOCHJYFZSA-N 346.430 5.116 0 40 EKAB CSc1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 3503684 APYVLVOVNHSWIJ-UHFFFAOYSA-N 343.304 5.524 0 40 EKAB COc1ccc([C@H](C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 6437391 QGEDAWROPAYZFD-HNNXBMFYSA-N 340.507 6.148 0 40 EKAB Cc1cc2nc(/C=C/c3cccc(C(F)(F)F)c3)sc2cc1C 6472163 XOEKMMUIWVCBGS-VOTSOKGWSA-N 333.378 6.102 0 40 EKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccccc1 8534254 HNNNTKYRBRTFBM-SFHVURJKSA-N 347.458 5.125 0 40 EKAB Cc1cccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 13669562 OIALTUNQRVRIFG-UHFFFAOYSA-N 329.443 5.025 0 40 EKAB CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 14904043 XTSCVFJBNHHMKD-RXTIWMTQSA-N 332.528 5.129 0 40 EKAB biogenic CCCCCOc1ccc(CNc2cccc(Cl)c2Cl)cc1 19737954 JBTINZXCICWECH-UHFFFAOYSA-N 338.278 6.175 0 40 EKAB Cc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1Cl 26037292 QDZCVTFUAYENRR-UHFFFAOYSA-N 348.880 5.010 0 40 EKAB CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(C)cc1 30847882 XTKLDZZCALOQPF-LJQANCHMSA-N 345.870 5.075 0 40 EKAB C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 33028197 YQCHMDAUZBYDEO-UGSOOPFHSA-N 348.273 5.115 0 40 EKAB CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 33792617 YHOHXDGANHUBQZ-ZGJYDULXSA-N 328.496 5.083 0 40 EKAB Fc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101225626 SFAZWHJCZNRSHN-TZIWHRDSSA-N 343.405 5.322 0 40 EKAB CC(C)Oc1ccc(NC(=O)CCc2cccc3ccccc23)cc1 222668779 UPPSBXVYTKOFBF-UHFFFAOYSA-N 333.431 5.198 0 40 EKAB C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C[C@]12CS2 253499906 RAGKRCXTWZPJJM-HJSDYLBWSA-N 332.553 5.330 0 40 EKAB biogenic O=C(Cc1cccs1)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360517 IFNAZUJUVDKMNT-UHFFFAOYSA-N 338.272 5.211 0 40 EKAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br 383504 JJXTZVJWOZSKQS-UHFFFAOYSA-N 346.268 5.307 0 40 EKAB Cc1cc(C)cc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1 1281087 LUGRTBZJFPXTQM-QHCPKHFHSA-N 341.458 5.690 0 40 EKAB Cc1ccc(-c2oc(-c3ccc(C)cc3)c3cc(C)c(C)cc23)cc1 1583170 MGTRFHDQEDLPJY-UHFFFAOYSA-N 326.439 7.000 0 40 EKAB Cc1c(Cl)cccc1NC(=O)Sc1ccc(C(C)(C)C)cc1 1738425 LJVXHNMYNBGWEG-UHFFFAOYSA-N 333.884 6.270 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 2052444 UFQUDOQTCYZPSW-GOSISDBHSA-N 343.470 5.971 0 40 EKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)c1 2455217 JNXSUVKWDMIEIE-UHFFFAOYSA-N 340.213 5.394 0 40 EKAB Cc1cccc(C)c1NC(=S)Nc1ccc(SC(F)F)cc1 3257421 YEVNESULNJFDDR-UHFFFAOYSA-N 338.448 5.427 0 40 EKAB CC(C)N(C(=O)c1sc2cc(F)ccc2c1Cl)c1ccccc1 3287322 FXTWTXOFHHWVPO-UHFFFAOYSA-N 347.842 5.749 0 40 EKAB O=C(Nc1ccccc1Cl)c1cc(Br)ccc1Cl 3406942 BMKPUIYMCFFPKH-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB CCCCCCN(CCCCCC)C(=S)NC(=O)c1ccccc1 4521196 VNOQULZQRFQPDR-UHFFFAOYSA-N 348.556 5.164 0 40 EKAB COc1ccc2c(=S)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1 5321942 RGVYQOGXIONOQP-UHFFFAOYSA-N 348.427 5.332 0 40 EKAB CCC(=O)c1cn(CCCOc2ccccc2Cl)c2ccccc12 6308298 DGWBSIDPVCUHIH-UHFFFAOYSA-N 341.838 5.357 0 40 EKAB Cc1ccccc1-c1nc2ccc(NC(=O)c3ccccc3F)cc2o1 8190848 QJUVEATVWNUPAZ-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB CC(C)c1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 9364320 YTGITPFARKSWHM-UHFFFAOYSA-N 342.489 5.176 0 40 EKAB O=C(CCc1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 10457606 WHAACPUZPJXKJE-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CCCCCCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21 13711718 PLBUJRWGVGWGRA-UHFFFAOYSA-N 346.478 5.710 0 40 EKAB Cc1cccc2sc(NC(=O)c3occc3-c3ccccc3)nc12 28715073 CZRSZZCAUGAVLU-UHFFFAOYSA-N 334.400 5.117 0 40 EKAB CCCCc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33730371 MPCJMIHXRWLBKT-UHFFFAOYSA-N 347.458 6.158 0 40 EKAB CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C=CCC1(C)C 33955135 FKPNTWPSTBQDNM-QHLGVNSISA-N 326.480 5.857 0 40 EKAB in-vitro Clc1ccc(OCc2ccccc2Br)c(Cl)c1 70136048 UNZRUOJDOMOREJ-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CCCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1Cl 106964183 FMWGNEWVOVJCAQ-UHFFFAOYSA-N 328.214 5.533 0 40 EKAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(C)cc1C 218915661 ZFDCGQIYTCCOOA-NRFANRHFSA-N 347.458 5.103 0 40 EKAB O=C(Nc1ccc2sncc2c1)C(c1ccccc1)c1ccccc1 222935042 SICPWLIAQYAATP-UHFFFAOYSA-N 344.439 5.067 0 40 EKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225638364 WHSFGWUEMVLJDB-SOIKWTOOSA-N 347.499 5.015 0 40 EKAB CCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225717469 JOKFQDMHTZUNEH-CEQIKUNHSA-N 347.499 5.096 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CC)OCCC)cc1C 225732435 PXRVPNYLWRKXKC-FQEVSTJZSA-N 335.488 5.016 0 40 EKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c(C)c1 225759681 CLTVUTMOZSJFJS-IBGZPJMESA-N 326.509 5.296 0 40 EKAB Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccccc1 175490 FDIOIJAWZQXXDV-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB O=C(NCc1ccccc1Cl)c1ccccc1CCc1ccccc1 3454109 IWFWHSUCTKBODS-UHFFFAOYSA-N 349.861 5.055 0 40 EKAB COc1cccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)c1 5186755 JPJQKHGGQKIEGI-JOCHJYFZSA-N 328.415 5.051 0 40 EKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 6049972 CJGZNSREAMKENG-SECBINFHSA-N 344.625 5.053 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1 6153281 GURCBOWZAXQNIM-KRXBUXKQSA-N 327.594 5.266 0 40 EKAB O=C(Cc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6237049 HVCMGJNPSANSIH-UHFFFAOYSA-N 345.486 5.336 0 40 EKAB CCc1cccc(N(C(=O)C2CCC2)c2nc3ccccc3s2)c1 7270328 BHPHITLOVJHFNM-UHFFFAOYSA-N 336.460 5.324 0 40 EKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C#N)CC[C@H]32)C1 12656552 QUGXMPWNBWSXCH-ZOSSLFJCSA-N 341.495 5.021 0 40 EKAB biogenic Cc1ccccc1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2[nH]1 15520208 XMYCGVOJSJXHMO-CYVLTUHYSA-N 338.410 5.295 0 40 EKAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 20109096 FEMACBQCUQFKQS-QGZVFWFLSA-N 336.262 5.511 0 40 EKAB CC(C)C[C@H](NC(=S)Nc1ccccc1Cl)c1ccccc1 20624790 LXBYFTBYRJQGIN-KRWDZBQOSA-N 332.900 5.414 0 40 EKAB Cc1cc(OCc2ccc(C(=O)N(C(C)C)C(C)C)o2)ccc1Cl 28230821 TZTXGKKXXNLTDV-UHFFFAOYSA-N 349.858 5.079 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1 30806629 USHNZIFCBDNSRA-UHFFFAOYSA-N 335.403 5.036 0 40 EKAB Cc1cc(C)c2oc(-c3ccc(Br)c(Cl)c3)nc2c1 57351604 XZSCDWLCDPWNOK-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB COc1ccc2cc(CNCc3csc4ccccc34)ccc2c1 83970346 VOXLSHVXFATMNF-UHFFFAOYSA-N 333.456 5.353 0 40 EKAB Fc1ccccc1COc1cccc(CNc2ccc(Cl)cc2)c1 107028065 UEZAHGRXQRNBGF-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB Cc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1C 225034101 GZHNNQMUVUPQSU-QFIPXVFZSA-N 346.426 5.045 0 40 EKAB CC(C)[C@@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 225185354 OPISBENLVOPFNO-COYFKBPASA-N 327.855 5.041 0 40 EKAB C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 225305459 AXJMCEDDSDUJKX-HNNXBMFYSA-N 343.898 5.448 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)Nc1cccc(Cl)c1 225344316 QHMYKZABVAICIL-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CC(C)C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccccc1 225491844 NDTCVWJPIVVBAJ-KRWDZBQOSA-N 332.900 5.414 0 40 EKAB CCOC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCCC1 225710352 DLYCBYAJOJFJNC-UHFFFAOYSA-N 347.499 5.016 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225744020 UYSKMWAMZKYXFA-OXJNMPFZSA-N 335.488 5.178 0 40 EKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2)cc1 309756193 WSNOONADLYOKPD-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc(N[C@H](c2cccnc2)c2c(C)[nH]c3ccccc23)cc1 352707 DUHCBTFRRRTXMA-JOCHJYFZSA-N 327.431 5.381 0 40 EKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 3672330 OYEPRPPZINUZKQ-UHFFFAOYSA-N 335.488 5.228 0 40 EKAB CCCCc1nc2sc3c(Cl)ncnc3c2c2c1CCCC2 4193076 DNXXGLNTWKKERQ-UHFFFAOYSA-N 331.872 5.114 0 40 EKAB O=C1[C@H]2C[C@H](c3ccccc3)[C@@H]1C(c1ccccc1)=C2c1ccccc1 4963668 GXFFSDWELCIVMD-ZFGGDYGUSA-N 336.434 5.600 0 40 EKAB Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]34CO[C@H]2[C@@H]41 4972888 UGGAILYEBCSZIV-NLXHMFRLSA-N 342.479 5.146 0 40 EKAB biogenic CC(=O)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C 5427202 OMUMQXPIWUEEEG-FIOKVDTLSA-N 330.556 6.881 0 40 EKAB CC1=C(/C=C/C(C)=C/C=C(C(=O)O)\C(C)=C/C(=O)O)C(C)(C)CCC1 5497332 BGOMUHYKLNJWPG-WPRRFWQKSA-N 344.451 5.057 0 40 EKAB Cc1ccc(-c2csc(/C=C/c3ccc(OC(F)F)cc3)n2)cc1 6079211 NTKHKXXHRAJHAG-IZZDOVSWSA-N 343.398 5.890 0 40 EKAB Cc1cc(C)c(NC(=O)c2oc3c(Cl)cccc3c2C)c(C)c1 6151923 OYMBGHYMPLWIDI-UHFFFAOYSA-N 327.811 5.572 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 6391522 FWHOWFSDDDBZDO-CQSZACIVSA-N 345.870 5.650 0 40 EKAB Clc1ccc([C@@H](CCN2CCCC2)Cc2ccccc2Cl)cc1 6719474 MGZCZAZMGBLOAX-KRWDZBQOSA-N 348.317 5.806 0 40 EKAB C[C@H]1CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H]1C 13320461 LVOWNOMWHJFPAW-CWSCBRNRSA-N 348.796 5.305 0 40 EKAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 13774798 JDHKLMCCSWAINP-MRXNPFEDSA-N 340.536 5.649 0 40 EKAB O=C(Nc1ncc(Cl)cc1Cl)Nc1cccc2ccccc12 16544970 MYMYHGNGSJHXLI-UHFFFAOYSA-N 332.190 5.186 0 40 EKAB CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C 19897766 BQPVGKNJJQUGFW-AUGHHAEUSA-N 344.539 5.763 0 40 EKAB biogenic,in-vitro Fc1ccccc1-c1nnc([C@H](Nc2ccccc2)c2ccccc2)o1 20509754 OJHLBIPVVWEMTK-LJQANCHMSA-N 345.377 5.077 0 40 EKAB Cc1ccc(Nc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)cc1 40216898 WVTJBBRYFOHOBE-UHFFFAOYSA-N 342.446 5.374 0 40 EKAB Cc1ccc([C@H](NC(=O)/C=C/c2ccc(F)cc2)c2ccccc2)cc1 44840587 FMBUIUOLUQFGLE-UUFSLDAJSA-N 345.417 5.053 0 40 EKAB Cc1ccc(OCCCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 44903442 VRRHROCJORDOQC-OAQYLSRUSA-N 339.479 5.058 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1C 59351249 JHBICFBJBOYAIG-ROUUACIJSA-N 347.458 5.101 0 40 EKAB FC(F)(F)[C@@H]1CCC[C@H](NCc2cccc(OC3CCCC3)c2)C1 84374540 IRXJISAZLYFBEI-CVEARBPZSA-N 341.417 5.219 0 40 EKAB CCCOc1c(Cl)cc(CNc2cccc(Cl)c2)cc1OC 107835735 FSEBOWDRDNHPTM-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1C 225757468 ROXSTTMHTAYRHP-MRXNPFEDSA-N 336.863 5.225 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3cc(C)ccc3C)CCCC2)cc1 225842064 SECBHTSTGTZTHX-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c(N)c1 226348306 XNSXCGOEIBFNQY-UHFFFAOYSA-N 340.810 5.051 0 40 EKAB O=C(CN(C1CCCCC1)C1CCCCC1)Nc1ccccc1Cl 408582343 NBONUYIWIHSNGY-UHFFFAOYSA-N 348.918 5.246 0 40 EKAB CC(C)Cn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 409106758 OVIGPPVMLIIJCI-UHFFFAOYSA-N 341.455 5.033 0 40 EKAB CSc1ccccc1NC(=O)c1oc2c(C)cc(C)cc2c1C 526052305 WBQGPWSEUNFPKA-UHFFFAOYSA-N 325.433 5.332 0 40 EKAB c1ccc(-c2ccccc2Nc2ccc3oc4ccccc4c3c2)cc1 1857793970 GIFXSEWELDRUIX-UHFFFAOYSA-N 335.406 6.997 0 40 EKAB CC(C)(C)c1ccc(-c2csc(NC(=O)C3CCCC3)n2)cc1 484012 HCRWKWJUFBYTCD-UHFFFAOYSA-N 328.481 5.236 0 40 EKAB CCOC1=C(CN2CCCCC2)[C@@H](c2ccccc2)Oc2ccccc21 1408488 XQLIBJSUSHCWAW-JOCHJYFZSA-N 349.474 5.054 0 40 EKAB CCCCC[C@H](CN(C)C)C(=O)C[C@@H](SCC)c1ccccc1 1573426 OEIWDVKEOZSUBI-UYAOXDASSA-N 335.557 5.198 0 40 EKAB COC(=O)CCCCCCCCCCCCCCCCC(C)C 4557054 IVHQIMJNEKWLSS-UHFFFAOYSA-N 326.565 7.057 0 40 EKAB biogenic CC(C)(C)c1ccc(-c2nnc(S)n2-c2ccc(Cl)cc2)cc1 5856024 XKULROXVGOGMDR-UHFFFAOYSA-N 343.883 5.174 0 40 EKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccco4)c3C)nc2c1 5959734 HQRIHFYDBVHSGM-UHFFFAOYSA-N 346.386 5.265 0 40 EKAB CCCC(=O)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 6026135 YMGVWMVTEBDMAZ-UHFFFAOYSA-N 329.802 5.465 0 40 EKAB CCSc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 7212579 FQCMWOANSXIKHO-UHFFFAOYSA-N 340.275 5.035 0 40 EKAB Cc1ccc(CNCc2ccccc2OCc2ccc(F)cc2)cc1 7537848 FIQCTLVZCKFXIR-UHFFFAOYSA-N 335.422 5.003 0 40 EKAB COc1ccc2nc(C)cc(Sc3ccc4ccccc4c3)c2c1 12551542 PYQZWZITOMGQRT-UHFFFAOYSA-N 331.440 5.856 0 40 EKAB CCN(CC12CC3C[C@H](CC[C@H](C3)C1)C2)C(=O)c1cccc(Cl)c1 16778769 ZEJNQNYMQJZRRZ-FAQHILDVSA-N 345.914 5.409 0 40 EKAB Cc1noc2c1N=C(c1ccc(F)cc1)C[C@@H](c1ccc(F)cc1)C2 19872812 GPSFKWNXOCEEJT-OAHLLOKOSA-N 338.357 5.112 0 40 EKAB CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)s1 20605400 OZPXYYKSGHSCAG-UHFFFAOYSA-N 338.354 5.410 0 40 EKAB C[C@@H](NCc1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)cc1 25356172 XFDKAMONNPEHGL-CYBMUJFWSA-N 346.261 5.030 0 40 EKAB C[C@H]1CCc2n(c(-c3ccccc3)c[n+]2-c2ccc(Cl)cc2)CC1 27788722 FKYCCVIPCKVIKZ-INIZCTEOSA-N 337.874 5.058 0 40 EKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=C(F)C[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118925376 NQPNKHPRIRGDJL-CVTOWEIBSA-N 334.475 5.568 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225700487 VQFPFFQDHKHZID-OXJNMPFZSA-N 335.488 5.096 0 40 EKAB COc1cccc2cc(C(=O)Nc3c(Cl)cccc3Cl)oc12 408701872 HPFCNLAWMJPYLN-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 38553 RDGPCRBQMZKLTG-UHFFFAOYSA-N 345.442 6.029 0 40 EKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 55103 RNXXIKOZHJKKPF-DYESRHJHSA-N 342.442 5.279 0 40 EKAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)(C)C)cc1 145184 UMPCHNMVPGOTGQ-UHFFFAOYSA-N 339.479 5.126 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 342184 ZZPJYGDVWAHFGF-INIZCTEOSA-N 325.452 5.341 0 40 EKAB O=C(O)c1ccccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1 1249616 VHOJPHPGQRGESZ-UHFFFAOYSA-N 341.366 5.374 0 40 EKAB Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cccc2ccccc12 1665042 MPLDEKGOOJUJBT-UHFFFAOYSA-N 334.419 5.621 0 40 EKAB in-vitro S=c1sc2ccccc2n1CSc1nc2ccccc2s1 2581558 GESYYSDCKVYAJF-UHFFFAOYSA-N 346.527 5.792 0 40 EKAB biogenic C[C@H]1CC[C@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 3999082 VAABMKSTVWFIJI-MHECFPHRSA-N 344.502 5.193 0 40 EKAB biogenic CCCCN(CCCC)CCCOC(=O)Nc1c(C)cccc1C 4127877 VGSRXFCLDLFNOB-UHFFFAOYSA-N 334.504 5.144 0 40 EKAB CCc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 4666264 NTKPRJZXOBKKNU-UHFFFAOYSA-N 329.443 5.410 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1ccc(OCc2ccccc2)cc1 4676622 AGIHNWWUBOLEEK-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB CC(C)CC[C@H](C)Nc1ncnc2sc(-c3ccccc3)cc12 5937714 KOVJVRFWWRGFJS-AWEZNQCLSA-N 325.481 5.595 0 40 EKAB CCCCOc1ccc2ccccc2c1-c1nc2ccccc2s1 6651832 BFVBQGNUDMCFPC-UHFFFAOYSA-N 333.456 6.295 0 40 EKAB Brc1ccc(-c2ccc(CNCc3cccs3)o2)cc1 7524906 IMRHUNDKRLAUIZ-UHFFFAOYSA-N 348.265 5.060 0 40 EKAB Cc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2n1 7669143 VZIIWUKUUYSQIX-UHFFFAOYSA-N 346.474 6.042 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C 8049677 MSGCVIJWKXORGS-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB COc1ccc(NC[C@H](C)Oc2ccc(C(C)C)cc2)cc1Cl 19738101 KRWNKIIMYIINFU-AWEZNQCLSA-N 333.859 5.351 0 40 EKAB Cc1ccc(-n2ncc3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)cc1 20632940 UYLPANLWNSZBPA-LJQANCHMSA-N 344.458 5.217 0 40 EKAB CC(C)=CCC[C@@H](C)CCNC1CCN(Cc2ccccc2)CC1 34863237 FYIKXLUYUAQQLO-HXUWFJFHSA-N 328.544 5.013 0 40 EKAB CCOc1ccc2nc(C)cc(Nc3ccc([C@@H](C)CC)cc3)c2c1 41127707 YUDOYJVDKUZBTF-HNNXBMFYSA-N 334.463 6.199 0 40 EKAB CN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc2ccccc2c1 58381224 YLIYVYKDWJXAKW-UHFFFAOYSA-N 345.373 5.516 0 40 EKAB O=C(CCc1cccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 222659472 BOKBKNGEQKQIAT-UHFFFAOYSA-N 344.241 5.718 0 40 EKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 223522140 VSUJFQPZEPBAMP-INIZCTEOSA-N 339.479 5.182 0 40 EKAB CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cccc(-c3ccccc3)c1OC2(C)C 257274614 NLWNVZCXHKREDC-ZNLUXHQJSA-N 336.475 6.161 0 40 EKAB CCn1c(SC(=O)c2ccc3ccccc3c2)nc2ccccc21 408692891 XTGDBUYBPOUZBV-UHFFFAOYSA-N 332.428 5.142 0 40 EKAB Cc1cc(C)cc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 182587 MNSBFAPZWCAMFW-UHFFFAOYSA-N 329.399 5.180 0 40 EKAB COc1ccc(-c2csc(-c3c(-c4ccccc4)noc3C)n2)cc1 1414954 MTGNREWFUOMMEX-UHFFFAOYSA-N 348.427 5.449 0 40 EKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(F)cc3)c2c1 1892360 XEBIUXPEZUXTRG-NJNXFGOHSA-N 343.401 6.034 0 40 EKAB Nc1ccc(Cc2ccc(N)c(Cl)c2Cl)c(Cl)c1Cl 2556743 PPUHQXZSLCCTAN-UHFFFAOYSA-N 336.049 5.055 0 40 EKAB Cc1ccc(-c2nc3sccn3c2Nc2c(C)cccc2C)cc1 3909866 LHMUQBNADRSWBE-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB Cc1ccc(C)c(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 5164067 VTTRFBHALOXACS-UHFFFAOYSA-N 342.398 5.412 0 40 EKAB COc1ccc([C@H](CCNCc2ccc(F)cc2)CCC(C)C)cc1 5478172 BCCMXXQUOBKZGJ-FQEVSTJZSA-N 343.486 5.534 0 40 EKAB S=C(Nc1ccccc1)Nc1ccc(OCCc2ccccc2)cc1 7505191 PHGXSYPKBAFRPW-UHFFFAOYSA-N 348.471 5.117 0 40 EKAB c1ccc(-c2cc3c(SCc4cscn4)ncnc3s2)cc1 8312008 JVQQPCONJOBOAZ-UHFFFAOYSA-N 341.486 5.107 0 40 EKAB Cc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 8656833 XKXQCBHAFKQEBI-UHFFFAOYSA-N 332.834 5.713 0 40 EKAB O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccccc1)C1CC1 13007629 BJVHFOXFNPCHKK-UHFFFAOYSA-N 341.454 5.010 0 40 EKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 14258068 MNTFXYOKYODSPD-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(C)cc1 22514560 VNVJJCQNXSPSGJ-LJQANCHMSA-N 327.493 5.053 0 40 EKAB CC(=O)c1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)s1 32809457 MRGRDGJNSDFYKR-UHFFFAOYSA-N 345.489 5.238 0 40 EKAB Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5[nH]4)c3)[nH]c2c1 38243882 MTIFWVGUKAUNJM-UHFFFAOYSA-N 338.414 5.390 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc(C)c1Cl 40913179 APGBHOHKOUMUFU-OAHLLOKOSA-N 345.870 5.486 0 40 EKAB CC(C)C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccccc1 44904361 XXTJRGRFOXQXJB-XLIONFOSSA-N 341.520 5.212 0 40 EKAB FC(F)(F)c1ccc(Cl)c(C(F)(F)c2ccc(Cl)cc2)c1 59229502 XIMWGQUQAJALKP-UHFFFAOYSA-N 341.106 6.152 0 40 EKAB in-vitro Clc1ccc2nc(Nc3ccccc3Br)sc2c1 89065134 FVXQYAUNJXHLTR-UHFFFAOYSA-N 339.645 5.456 0 40 EKAB C/C=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914881 FGSFYZNXYHDZKI-KIPFOZIUSA-N 344.539 5.907 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)cc1C 225714711 UWHNDEPKKLWMQC-SFHVURJKSA-N 346.927 5.703 0 40 EKAB Cc1ccc(C)c(NC(=S)NC2(c3cccs3)CCCC2)c1 225842300 ALQFEWLQKFDMKH-UHFFFAOYSA-N 330.522 5.121 0 40 EKAB CC(C)Oc1ccc(Cl)cc1/C=C1/Sc2ccccc2NC1=O 409107152 VIHKIGZWNZJINE-LICLKQGHSA-N 345.851 5.213 0 40 EKAB CCCn1c(-c2cccnc2Cl)nc2cc(Cl)c(Cl)cc21 1382155 RDFKDJZXEMZXAH-UHFFFAOYSA-N 340.641 5.469 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(F)cccc2s1 1390447 SAEFLCQQRXVZPK-UHFFFAOYSA-N 339.313 5.312 0 40 EKAB O=C(c1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1Cl 2514528 CULQUMAUEZNTJB-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB CCOc1ccc(C(=C(Cl)Cl)c2ccc(OCC)cc2)cc1 3013966 PKMNIWVYOHLAOP-UHFFFAOYSA-N 337.246 5.679 0 40 EKAB C[C@@H](Sc1ccc(Cl)cc1)c1nnc(S)n1-c1ccccc1 3135769 YPBVFANYYZXKBV-LLVKDONJSA-N 347.896 5.063 0 40 EKAB C[C@@H](Oc1ccc(Cl)c2ccccc12)C(=O)c1ccc(Cl)cc1 3448607 JCFQZEBELMBQDX-GFCCVEGCSA-N 345.225 5.797 0 40 EKAB Fc1ccc(CSc2cn(Cc3ccccc3)c3ccccc23)cc1 4059619 DBQGUWKWKSRJBX-UHFFFAOYSA-N 347.458 6.121 0 40 EKAB CC(C)CC[C@H](CCNCc1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 5245456 GZOWTYROHMHWNF-WOJBJXKFSA-N 349.534 5.563 0 40 EKAB CC1(C)CC(=O)[C@@H]2[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@]2(C)C1 5415011 CIMULNHZAFWYPH-YYTDSSBASA-N 333.475 5.084 0 40 EKAB Cc1ccc(-c2nnc(NC3CCCCCC3)c3ccccc23)cc1 6083984 GFBIRUNZNPRZTE-UHFFFAOYSA-N 331.463 5.740 0 40 EKAB CCOc1ccc(Oc2ccc(NC(=O)/C=C/c3ccco3)cc2)cc1 6261434 BTWGDDCMRQZBOY-BUHFOSPRSA-N 349.386 5.123 0 40 EKAB CCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 6752653 PIHWWOIDMQWWQO-UHFFFAOYSA-N 342.870 5.501 0 40 EKAB Nc1c(Cl)cc2oc(-c3cc(F)c(F)cc3Cl)nc2c1Cl 6925575 ZEHQQDBVBNBFJA-UHFFFAOYSA-N 349.551 5.315 0 40 EKAB COCc1c(C(=O)Nc2cccc(Cl)c2)sc2cccc(F)c12 7061646 FLDJUYIUALXHJA-UHFFFAOYSA-N 349.814 5.093 0 40 EKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 8478587 YXKABMOQWDULKN-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CCCc1nc2ccccc2n1Cc1cccc(Oc2ccccc2)c1 12538299 LUPARHULUCZFDB-UHFFFAOYSA-N 342.442 5.829 0 40 EKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)oc2c1 14257956 BHVKMPSQMUUGSX-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1cc(C)c(NC(=O)CCCSc2ccc(Cl)cc2)c(C)c1 14426507 YEQWQIQSJXTVAK-UHFFFAOYSA-N 347.911 5.776 0 40 EKAB Cc1ccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1 19864023 CWBHEIWNECIDTB-QFIPXVFZSA-N 327.431 5.381 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(C)cc1 22527737 VXUPCRYDJGMQRK-LAUBAEHRSA-N 347.458 5.183 0 40 EKAB Clc1ccccc1[C@@H]1CCCN1Cc1coc(-c2cccs2)n1 48262083 SOBDFAZIERZEKC-INIZCTEOSA-N 344.867 5.394 0 40 EKAB CC(C)(C)[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 48332422 FDMVQKUDTWYMDJ-INIZCTEOSA-N 335.369 5.223 0 40 EKAB CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c4cc(C)ccc4n(C)c23)O1 71404305 YMQADICNUQAIOQ-XMMPIXPASA-N 345.486 6.551 0 40 EKAB biogenic,in-vitro Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)p2)cc1 71775217 PFBRCDGBRFKWBB-UHFFFAOYSA-N 338.390 7.576 0 40 EKAB Cc1cc(C)c(-c2nc(-c3ccccc3)sc2CC(=O)O)c(C)c1 95097125 WJSKEGCTCXRAID-UHFFFAOYSA-N 337.444 5.029 0 40 EKAB Cc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 101214358 KEIWTLBGRWSELQ-RBBKRZOGSA-N 339.442 5.491 0 40 EKAB CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223012690 CLEBKYQDGCUACF-IBGZPJMESA-N 327.855 5.100 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)CSCc2ccccc2C)cc1C 223397876 MSZQFERWIBEFIC-GOSISDBHSA-N 341.520 5.031 0 40 EKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(C)cc1C 225310364 PYHPWPLCCLQFQR-IBGZPJMESA-N 329.871 5.157 0 40 EKAB Cc1cc(Oc2ccc(C(F)(F)F)cc2N(C)C)cc(C)c1Cl 2142767 HHPNXIGWZXJQQL-UHFFFAOYSA-N 343.776 5.834 0 40 EKAB Clc1ccccc1-c1nc(N2CCCCCC2)c2ccccc2n1 2267545 UKRJRKQFSNZWKY-UHFFFAOYSA-N 337.854 5.331 0 40 EKAB Cc1ccc(-c2ccc(OC(=O)/C=C/c3cccs3)c(C)c2)cc1 3353835 AFFTUEYCIRPYKF-ZRDIBKRKSA-N 334.440 5.651 0 40 EKAB CC(C)CCC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 3452300 SMEJRBZMXGNBGU-CVEARBPZSA-N 340.511 5.237 0 40 EKAB Cc1nnc(SCc2cccc3ccccc23)n1-c1ccccc1 6109215 OWBQVFPKKPECLW-UHFFFAOYSA-N 331.444 5.021 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6215330 HYWAWIKKZPLEJR-UHFFFAOYSA-N 338.234 5.098 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1cccc2c(Cl)cccc12 9141445 NSBWEEBSYVSITI-AWEZNQCLSA-N 337.850 6.259 0 40 EKAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 10412008 OBTBHFDVYZBDPJ-UHFFFAOYSA-N 335.834 5.578 0 40 EKAB O=C1C[C@@H](c2ccccc2)Cc2nccc(-c3ccc(Cl)cc3)c21 14164007 YFKVIDFNQZRWNK-INIZCTEOSA-N 333.818 5.315 0 40 EKAB S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 16212129 SBMGXHALQHRLKP-UHFFFAOYSA-N 331.655 5.456 0 40 EKAB C[C@@H](CNc1cc(Cl)ccc1Cl)Oc1ccccc1Cl 19738058 SBDJGOIJRYKEOJ-JTQLQIEISA-N 330.642 5.526 0 40 EKAB CCn1c2ccccc2c2cc(CNCCc3ccccc3F)ccc21 19933255 IZCCWXVPECYWOM-UHFFFAOYSA-N 346.449 5.286 0 40 EKAB Clc1ccc(/C(=C/Br)c2ccccc2Cl)cc1 30728866 QCCRPLPTELVLHD-LCYFTJDESA-N 328.036 5.778 0 40 EKAB in-vitro O=Cc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1Cl 35662325 XRWIQYRSCPJBQI-UHFFFAOYSA-N 333.573 5.177 0 40 EKAB CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CCCNC2)c(Cl)c1 42775461 KBEWJBYJCKZLAK-MRXNPFEDSA-N 343.898 5.044 0 40 EKAB Fc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 71761741 MLQVCYYEIOJVLX-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)oc12 80339062 CPYUAGOSVLBKPB-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)CSCc1c(F)cccc1Cl 223455441 UKGBKFRADNWIAM-UHFFFAOYSA-N 345.911 5.043 0 40 EKAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223467679 QAVXVSRSWAFGPA-QGZVFWFLSA-N 347.458 5.265 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C 224473350 SFHJCJWODXRIGP-OAHLLOKOSA-N 341.948 5.542 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225444641 VUMJYEVBIRMLCP-MRXNPFEDSA-N 337.463 5.095 0 40 EKAB CC[C@H](C(=O)c1ccc(Br)cc1Cl)c1ccccc1 575362360 WJNAIVUSMSZSLP-ZDUSSCGKSA-N 337.644 5.479 0 40 EKAB O=C(c1ccco1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 82215 ZELKVBCDHILATF-YVWKXTFCSA-N 343.854 5.035 0 40 EKAB Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5o4)c3)oc2c1 236221 MPEMCVJIZZGVRH-UHFFFAOYSA-N 340.382 5.920 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 374224 OGZPRONWPZKFHF-LBPRGKRZSA-N 349.377 5.062 0 40 EKAB c1ccc(Sc2cc(Sc3ccccc3)c3cccccc2-3)cc1 1686101 ISUCIFMNDZVNFN-UHFFFAOYSA-N 344.504 7.094 0 40 EKAB Clc1c(Cl)c(Cl)c(NC2CCCCC2)c(Cl)c1Cl 1883106 SRXXFONQOCWQML-UHFFFAOYSA-N 347.500 6.698 0 40 EKAB CC[C@H](O)C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 2060186 CXCHMIKXNMISKN-RBBKRZOGSA-N 342.438 5.393 0 40 EKAB Cc1cc(C)c(NC(=O)C2[C@@H]3CCC=CCCC=CCC[C@@H]23)c(C)c1 3060869 FWYWHXFRKQRPHK-OSBQEZSISA-N 337.507 5.879 0 40 EKAB CCCCn1cc(-c2ccc3ccccc3n2)c(=S)c2ccccc21 3100331 BGYWYUFNFCBCCZ-UHFFFAOYSA-N 344.483 6.386 0 40 EKAB FC(F)(F)c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 3339790 QFNBVIWUODZFES-UHFFFAOYSA-N 349.381 5.333 0 40 EKAB CN1CCC[C@H](C[C@H]2Oc3ccccc3Sc3ccccc32)C1 4128838 ZOXQYFLPDQGMDX-CRAIPNDOSA-N 325.477 5.003 0 40 EKAB Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 4321396 VCEQUSSLRDAGJD-UHFFFAOYSA-N 345.833 5.563 0 40 EKAB COc1ccc(OC)c(Nc2nc(-c3ccc(Cl)cc3)cs2)c1 4740081 PHLDRQPROREQKM-UHFFFAOYSA-N 346.839 5.224 0 40 EKAB CCCCCCc1c(C)c2c(cc(C)c3c(C)c(C)oc32)oc1=O 5235565 ZBUCEBVAFJFBPA-UHFFFAOYSA-N 326.436 5.896 0 40 EKAB COc1ccc([C@@H](CCNC2CCC(C)CC2)CCC(C)C)cc1 5478331 YYLVPSGPXHYKBZ-VEDCXYSMSA-N 331.544 5.773 0 40 EKAB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 5532600 ZKMIZJCOEUJWMG-JLHYYAGUSA-N 327.855 5.598 0 40 EKAB CCN(C(=O)c1ccc2ccccc2c1)c1nc2c(C)cccc2s1 6084170 SKUBYGYPIDXNAO-UHFFFAOYSA-N 346.455 5.425 0 40 EKAB Cc1ccc(C(C)C)c(OCCCSc2nc3ccccc3[nH]2)c1 6752662 YZERZGCJVLQJNF-UHFFFAOYSA-N 340.492 5.556 0 40 EKAB COc1ccc(-c2ccc(CN[C@H](C)c3ccccc3)o2)cc1Cl 7539568 HBOBVYCKIYECCS-CQSZACIVSA-N 341.838 5.459 0 40 EKAB FC(F)(F)c1ccccc1-c1ccc(-c2nc3ccccc3s2)o1 11690101 QVSLHVUNFLLYBJ-UHFFFAOYSA-N 345.345 6.242 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 14022430 IDMNDKSJMHQVLQ-INIZCTEOSA-N 338.234 5.098 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(Cl)c1Cl 14115827 VXGVMAUESVCJOJ-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc12 14665119 SWJOZMAJOHUNSF-INIZCTEOSA-N 347.458 5.543 0 40 EKAB CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757703 NZEMIVPKSMHNCW-UHFFFAOYSA-N 331.444 5.118 0 40 EKAB C[C@H](NCc1csc(Br)c1)c1cc2ccccc2o1 30545639 SLHULNKZXUQUOS-JTQLQIEISA-N 336.254 5.108 0 40 EKAB CCCC(=O)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 70462017 RWQLXAQUVXAQLX-UHFFFAOYSA-N 338.407 5.062 0 40 EKAB CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@H](O)CC(=O)O 71404716 LINWKSYGMQNQNZ-UAFMIMERSA-N 342.564 5.897 0 40 EKAB Cc1ccc(N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1C 222936294 ALYZFOWDMBSJDL-UHFFFAOYSA-N 329.443 5.098 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1C 222980174 ZCYHTJFSTNEPSD-GOSISDBHSA-N 331.843 5.061 0 40 EKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCCCCC1 225658994 AILHIYMDVBYBTE-QGZVFWFLSA-N 347.499 5.322 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N1[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 254519613 YSCXRXOBOHVHEX-BRSBDYLESA-N 332.875 5.305 0 40 EKAB Fc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1 409182837 PBINHHBEPJDBQW-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 60799 PKLNOKSXZJFTFB-UHFFFAOYSA-N 335.834 5.501 0 40 EKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1Cl 247583 NTNIVDLQPCPINU-UHFFFAOYSA-N 342.225 5.498 0 40 EKAB OCCSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1732089 QNSXAUXAXDAWSY-UHFFFAOYSA-N 326.459 5.038 0 40 EKAB CC[C@H](C)c1ccc(-c2ccc(-c3ccc([C@H](C)CC)cn3)cc2)nc1 3108569 SLWWKRZDQOYQSJ-HDICACEKSA-N 344.502 6.838 0 40 EKAB C(=C/c1cccc2cccc(/C=C/c3ccccc3)c12)\c1ccccc1 3167961 KJIBOKDTDPEIIZ-XPWSMXQVSA-N 332.446 7.181 0 40 EKAB COc1ccc2c(C)c(-c3ccc(Cl)c(Cl)c3)c(=O)oc2c1 3255813 RYYUCFWLWISLGI-UHFFFAOYSA-N 335.186 5.084 0 40 EKAB O=C(CCN1c2ccccc2Sc2ccccc21)Oc1ccccc1 3452679 UYXQYNHJCQTFBK-UHFFFAOYSA-N 347.439 5.285 0 40 EKAB CCCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)sc1C 6392550 ORZLEZANQXRYRQ-UHFFFAOYSA-N 327.371 5.280 0 40 EKAB CC(C)(C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6515461 COIVUJFTARXDEL-UHFFFAOYSA-N 333.884 5.161 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)c(C)c1 20484938 VGDWSKZSYYIJNY-QZTJIDSGSA-N 347.458 5.101 0 40 EKAB CCCC(=O)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 27913832 AIUGFRVZMVZJSY-UHFFFAOYSA-N 346.452 5.416 0 40 EKAB CC/C(=C(\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1 30731089 MCJKBWHDNUSJLW-VHXPQNKSSA-N 343.470 5.393 0 40 EKAB world CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC 33939581 SNXPWYFWAZVIAU-ZMDWBYSWSA-N 332.528 6.695 0 40 EKAB CC(C)[C@H](NC(=O)N[C@H](c1cccs1)C(C)C)c1cccs1 48362269 DFFXTJXGNWRBDP-HOTGVXAUSA-N 336.526 5.203 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 78458840 DBZSOKMBSAPWMF-IBGZPJMESA-N 343.470 5.390 0 40 EKAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)c2ccccc12 225839913 YHPTYRUMKOIHMN-NRFANRHFSA-N 343.467 5.162 0 40 EKAB Cc1cc2nc(-c3ccc(OCc4ccccc4)cc3)oc2cc1C 226295131 PVOPJTZFSYJONV-UHFFFAOYSA-N 329.399 5.691 0 40 EKAB CCOc1cc(C)c(/C=C2\C(=O)N(CC)c3ccccc32)cc1C(C)C 409118810 QFUKQSUWDNYMHO-ZHZULCJRSA-N 349.474 5.424 0 40 EKAB FC(F)(F)c1cc(NCCOc2ccccc2)cc(C(F)(F)F)c1 1857795313 SAVYIKOTOBDSCW-UHFFFAOYSA-N 349.274 5.215 0 40 EKAB CCCCCN(CCCCC)C[C@H](O)c1ccc(Cl)c(Cl)c1 1718270 BXEWHHRSESPULZ-SFHVURJKSA-N 346.342 5.709 0 40 EKAB Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1O 3094579 NQHRPRULSPCOST-UHFFFAOYSA-N 338.410 5.492 0 40 EKAB Cc1ccc(SCC(=O)Nc2ccccc2Oc2ccccc2)cc1 4496476 PDXRJINJIZWUPQ-UHFFFAOYSA-N 349.455 5.518 0 40 EKAB C[C@@H](Oc1ccccc1)C(=O)NC1CCCCCCCCCCC1 4614753 BFCMYVKPLOVJLZ-GOSISDBHSA-N 331.500 5.243 0 40 EKAB Cc1noc(C)c1CSc1nnc(-c2ccccc2)c2ccccc12 6216692 OLGIJABSGDNMSZ-UHFFFAOYSA-N 347.443 5.194 0 40 EKAB OC1=N[C@H](/C=C/c2ccccc2)Nc2scc(-c3ccccc3)c21 6529050 BEWSKUAHNCHSEI-FLVLSHQESA-N 332.428 5.185 0 40 EKAB Cc1cc(SCc2ncc(-c3ccccc3)o2)nc2c(C)cccc12 7780980 OYOIOFTUNFNJPZ-UHFFFAOYSA-N 346.455 5.799 0 40 EKAB CCSC1=NC(C)(C)C=C(/C=C/c2ccc(Cl)cc2Cl)N1 13125362 HDYJHMYOCQATSE-SOFGYWHQSA-N 341.307 5.381 0 40 EKAB aggregator CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(C)cc1 22527750 VXUPCRYDJGMQRK-UTKZUKDTSA-N 347.458 5.183 0 40 EKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1C(F)(F)F 29024558 NKXONTHNIXLPOI-UHFFFAOYSA-N 349.352 5.279 0 40 EKAB CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1 44087503 ICJYYEYKSHCPCF-UHFFFAOYSA-N 344.867 5.313 0 40 EKAB CCCc1ccc2[nH]c(=O)c(CNc3c(C)cc(C)cc3C)cc2c1 57710075 ARQZISRPNYFSLQ-UHFFFAOYSA-N 334.463 5.018 0 40 EKAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 59291953 UGAZBFXYTMKETC-CYBMUJFWSA-N 330.859 5.520 0 40 EKAB CC(C)(C)[C@H](NC(=O)c1ccc(F)cc1Cl)c1cccs1 78355132 XJXWSFBMLPPCBB-CQSZACIVSA-N 325.836 5.058 0 40 EKAB Cc1ccc(SCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223401928 IIPIAFLUPCKAFX-SFHVURJKSA-N 341.520 5.280 0 40 EKAB Cc1c(C(=O)C(F)(F)C(F)(F)F)sc2ccc(Cl)cc12 575243125 LJTCFLXQTFLUQL-UHFFFAOYSA-N 328.689 5.243 0 40 EKAB CCN(C(=O)c1c(-c2ccccc2Cl)noc1C)C1CCCCC1 196251 TYMJEVPJPGZWOW-UHFFFAOYSA-N 346.858 5.098 0 40 EKAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 358775 XOSWYNLEIOMEHA-UHFFFAOYSA-N 346.268 5.307 0 40 EKAB Cc1ccc2sc(-c3ccc(NCc4cccs4)cc3)nc2c1 442326 GROPFIRWTVDBNI-UHFFFAOYSA-N 336.485 5.945 0 40 EKAB Cc1c2c(cc3c1[nH]c1ccccc13)C(c1ccc(F)cc1)=NCC2 1717244 CXYGJCRYQFSCFA-UHFFFAOYSA-N 328.390 5.162 0 40 EKAB Cc1c(-c2cccc(Cl)c2)c(=O)oc2c(Cl)cc(Cl)cc12 2583401 ZSLIRXMVVGLIQG-UHFFFAOYSA-N 339.605 5.729 0 40 EKAB biogenic CCc1cccc(C)c1NC(=O)c1ccccc1CCc1ccccc1 5471725 JQUZTQYETIHPDV-UHFFFAOYSA-N 343.470 5.595 0 40 EKAB CCc1cccc(C)c1NC(=O)CCCSc1ccc(Cl)cc1 6152493 OEQYGIKCQSBBHP-UHFFFAOYSA-N 347.911 5.722 0 40 EKAB CC(=C\c1ccccc1)/C=C1/C(=O)N(c2ccccc2)c2ccccc21 6295476 ROSBXGXXXWYKGW-YORPJTJESA-N 337.422 5.852 0 40 EKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Oc2ccccc2)cc1 7988130 IVCXDUCAWYCJPX-QFIPXVFZSA-N 343.426 5.286 0 40 EKAB CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccccc1)Cc1ccco1 8990782 DFTLFDFQVRZFTN-QFIPXVFZSA-N 347.458 5.045 0 40 EKAB O=C(Nc1ccccc1)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 12735246 MTLNUUOFZGHHSM-FQEVSTJZSA-N 348.471 5.148 0 40 EKAB C1=CC[C@@H](C2OC([C@H]3CC=CCC3)OC([C@H]3CC=CCC3)O2)CC1 16932175 GDVLQRKRINDFTM-XITSEDJASA-N 330.468 5.097 0 40 EKAB C/C=C/CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 20160113 XLZUFMJKPWJSDL-NSCUHMNNSA-N 336.498 6.622 0 40 EKAB CC(C)C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 44885031 FHANQUSCWYQHRB-YFPIXMDGSA-N 327.855 5.257 0 40 EKAB Cc1cc(Br)c2oc(-c3ccc(F)c(Cl)c3)nc2c1 57351612 KCNMVHGOEFFNIN-UHFFFAOYSA-N 340.579 5.358 0 40 EKAB CCC(CC)c1cc[n+](Cc2csc(-c3ccccc3F)n2)cc1 77397254 FRLHUJPDUQBSLV-UHFFFAOYSA-N 341.475 5.189 0 40 EKAB FC(F)(F)[C@H]1CCC[C@H](NCc2cccc(OC3CCCC3)c2)C1 84374538 IRXJISAZLYFBEI-HOTGVXAUSA-N 341.417 5.219 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Cc1cccc2ccccc12 224941349 QQCKUFLDRSUOIS-ZWKOTPCHSA-N 325.496 5.351 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3ccc(C)c(C)c3)CCCC2)cc1 225843009 NOYNBNXABLWFBA-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB C/C=C/C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C 1773330 FJALIZTZAWWOKP-LHOVZLELSA-N 344.479 6.568 0 40 EKAB c1ccc(C(Sc2nc3ccccc3s2)c2ccccc2)cc1 2328820 AMGNKVUQWNQBLJ-UHFFFAOYSA-N 333.481 6.178 0 40 EKAB Brc1ccc(Sc2snnc2-c2ccccc2)cc1 3111142 ZWIKGBHVTPEFCL-UHFFFAOYSA-N 349.278 5.119 0 40 EKAB Cc1ccc(C)c(OCCn2cc(C(=O)C(C)(C)C)c3ccccc32)c1 6720924 LTDFFQHXPLAFNT-UHFFFAOYSA-N 349.474 5.566 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1C 8492647 HCIUYBJDDVFRFW-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB O=C(CCc1ccccc1Cl)Nc1cc(Cl)ccc1Cl 10457857 ACDRDEVEGZMAHC-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14665183 LLICLUDCORYWEE-MRXNPFEDSA-N 325.452 5.007 0 40 EKAB COc1ccc(C)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 22395793 SRRIOFPPVGYTJM-UHFFFAOYSA-N 341.794 5.169 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(C)C 30851366 LIKDAJOSHSGVQU-LJQANCHMSA-N 325.452 5.223 0 40 EKAB Cc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1C 32768036 WLDZCFIHFZLGLQ-UHFFFAOYSA-N 325.355 5.168 0 40 EKAB Cc1ccc(Nc2c(-c3cccc(O)c3)nc3ccccn23)cc1Cl 35616315 YNBQGNNJUSDARO-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB Cc1cccc(-c2nn3c(Nc4ccc(F)cc4)cc(C)nc3c2C)c1 40216791 PODMXXQZZKPTHH-UHFFFAOYSA-N 346.409 5.204 0 40 EKAB C[C@@H](CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CC1 64780716 SRDBJHKJUMWDHQ-ZDUSSCGKSA-N 336.460 5.338 0 40 EKAB Fc1cc(Cl)cc(SCc2cccc(Br)c2)c1 95733342 PPWCPJULAWALKW-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB CCCCOc1ccc(N[P@@](C)(=O)Oc2ccc(CC)cc2)cc1 102144392 USYXIQYJDOOVDN-DEOSSOPVSA-N 347.395 5.742 0 40 EKAB Brc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1 216742046 FPWWIGJQFPVBQQ-UHFFFAOYSA-N 339.192 5.048 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225114848 SULGUEYVEVOWTH-QZTJIDSGSA-N 333.516 5.218 0 40 EKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)C(C)C 225759812 ZTBMSYHUOJKWDP-FQEVSTJZSA-N 340.536 5.802 0 40 EKAB Fc1cccc(-c2ccc([C@@H]3CCCCN3Cc3ccccn3)cn2)c1 257297323 RGTGHUXDJZHSQL-QFIPXVFZSA-N 347.437 5.010 0 40 EKAB CC[C@@H](c1ccc(F)cc1)c1nnc([C@@H](CC)c2ccc(F)cc2)o1 1614625579 WHWFKUKSWPBQOQ-ROUUACIJSA-N 342.389 5.432 0 40 EKAB Cc1ccc(NC(=O)C2C[C@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)cc1 3141061 JRCGHFQHEDWYQX-ROUUACIJSA-N 329.528 6.058 0 40 EKAB Cc1ccccc1CSCC(=O)Nc1cc(Cl)ccc1Cl 3601204 AXZPNEFFWBURJF-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CC(C)(C)c1ccc(CSc2nc3cc(F)cc(Cl)c3o2)cc1 4110074 VWRBDMIHKHIOQM-UHFFFAOYSA-N 349.858 6.210 0 40 EKAB CCN(CC)CCCCCCN(CC)Cc1cc2ccccc2o1 4713686 PCUJZPANFXVLDW-UHFFFAOYSA-N 330.516 5.157 0 40 EKAB Clc1ccccc1Cn1c(/C=C/c2ccco2)nc2ccccc21 5235194 WSBJYAAZCOMDLJ-VAWYXSNFSA-N 334.806 5.501 0 40 EKAB C[C@@H](CC(C)(C)C)CP(=O)(Oc1ccccc1)Oc1ccccc1 6487034 OZPYAHAENLTABB-KRWDZBQOSA-N 346.407 6.410 0 40 EKAB Cc1ccc(C2=NNC(c3cccs3)=Nc3ccc(C(C)C)cc32)o1 6556908 LIPASCIZKHNVRU-UHFFFAOYSA-N 349.459 5.207 0 40 EKAB Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1 6757166 JXJGDFRTVLTJPC-NRFANRHFSA-N 331.440 5.750 0 40 EKAB Clc1ccccc1/C=C/c1nc2ccccc2nc1N1CCCCC1 7042531 AJIGIOABPKGVAZ-OUKQBFOZSA-N 349.865 5.444 0 40 EKAB Fc1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)cc1 7524365 BPBUNFAXYVLOFX-UHFFFAOYSA-N 325.427 5.144 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H]2CCCC[C@@H]2C1 16385371 YBPWSZIAWJLJCC-NWDGAFQWSA-N 327.255 5.037 0 40 EKAB Cc1nc2c(-c3ccccc3)cnn2c(N[C@@H](C)c2ccccc2)c1C 27586206 DXKLTNFXNJAEQV-KRWDZBQOSA-N 342.446 5.186 0 40 EKAB C[C@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)Cc1ccccc1-2 32825886 GNJRRGNLBLEUQN-CQSZACIVSA-N 333.456 5.153 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C(C)C)cc1 113951061 SHUCUZICNDHPMJ-LJQANCHMSA-N 325.452 5.223 0 40 EKAB CC(C)C[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccccc1 225493975 ZETHRJWPFDQSCB-KRWDZBQOSA-N 334.435 5.039 0 40 EKAB CCCCOc1c(C)cc(NC(=O)C2(OCCC)CCCC2)cc1C 225655848 KXPFJSIFZUCFIG-UHFFFAOYSA-N 347.499 5.160 0 40 EKAB CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc3c(c1OC2(C)C)OC(C)(C)C3 257276860 NVKFQRWNQJUSCB-KYJSFNMBSA-N 330.468 5.208 0 40 EKAB CCN(CC)C[C@@H](C)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698644 AWRHCRZHVXPVOG-OXQOHEQNSA-N 337.935 5.086 0 40 EKAB O=C(Nc1cccc(F)c1)c1sc2cccc(Cl)c2c1Cl 2763995 CFRQQQBGRVEUIP-UHFFFAOYSA-N 340.206 5.600 0 40 EKAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(Cl)cc1Cl 2930399 XQRONKMIUVUNQG-FYGXEABWSA-N 344.197 5.003 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3c(C)cccn23)cc1 4735054 KIPVXOZZNFLSEH-UHFFFAOYSA-N 327.431 5.670 0 40 EKAB OC(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1 4768953 XXFFNQQXIZQCOA-UHFFFAOYSA-N 336.434 5.638 0 40 EKAB C[C@H]1C[C@@H](C)CN(CCCCCCOc2cccc3ccccc23)C1 4837102 PURCLIABRYQFOP-BGYRXZFFSA-N 339.523 5.757 0 40 EKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc2ccccc12 5956281 MWSFGIHUDIBKSE-UHFFFAOYSA-N 337.850 5.870 0 40 EKAB O=C(Nc1ccc(F)cc1)Nc1c(Cl)cc(Cl)cc1Cl 6527970 NACZXIKXWLYHNU-UHFFFAOYSA-N 333.577 5.430 0 40 EKAB CC(C)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 11689915 JKCUGPBXFFGQBH-UHFFFAOYSA-N 333.431 5.641 0 40 EKAB CC(=O)N1CCc2cc(-c3nc(-c4ccccc4C)sc3C)ccc21 12861235 VXWAIXUGZHMZBW-UHFFFAOYSA-N 348.471 5.003 0 40 EKAB Cc1cccc(C)c1NC(=S)N(Cc1ccccc1)c1ccccc1 15348532 UCKIWMJIJDYQFU-UHFFFAOYSA-N 346.499 5.707 0 40 EKAB S=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 17072038 AJUXQRXLRNPLHV-UHFFFAOYSA-N 345.682 5.133 0 40 EKAB Cc1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 20896860 OMAYQSLBPNJWIE-UHFFFAOYSA-N 325.408 5.043 0 40 EKAB O=C(c1cc2ccccc2o1)N(Cc1ccco1)c1ccc(F)cc1 71843954 RIWJNEFEKNUCRB-UHFFFAOYSA-N 335.334 5.012 0 40 EKAB CCc1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 73638153 FSEHSVLJYUWXSV-UHFFFAOYSA-N 336.616 5.473 0 40 EKAB CCCc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1 98071558 WQGMAFRSIHBDRV-UHFFFAOYSA-N 326.568 7.519 0 40 EKAB O=C1S/C(=C\Nc2ccc(Oc3ccccc3)cc2)c2ccccc21 100438944 ISVZKPJIJRWDDJ-ZHZULCJRSA-N 345.423 5.776 0 40 EKAB CC(=O)N1c2ccccc2N=C2C[C@@H](C)CC(O)=C2[C@@H]1c1ccccc1 102602372 YPFASWIRGYSHAH-PEBXRYMYSA-N 346.430 5.109 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1C 223491241 KUAYMDLIFLAMJE-SFHVURJKSA-N 347.458 5.021 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(C)cc1C 225715218 GYHRUDQPWMHMBU-INIZCTEOSA-N 334.435 5.019 0 40 EKAB C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253612489 SKSOMRHTXHIGIB-JLIKDDIFSA-N 342.523 5.827 0 40 EKAB O=C(CNc1cccc(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2 408723872 XITBFXSJIQAYOL-UHFFFAOYSA-N 333.818 5.206 0 40 EKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1F 60800 USNJBWAUTGTVSV-UHFFFAOYSA-N 337.369 5.126 0 40 EKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2F)c1 520498 RNBAVDWJYZLKJF-OAQYLSRUSA-N 346.405 5.214 0 40 EKAB CCC(CC)c1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 804664 VKYYIIMMFSJIKU-UHFFFAOYSA-N 344.267 5.001 0 40 EKAB CCN(C(=O)C1CCCCC1)c1nc(-c2ccc(C)cc2)cs1 932653 VFLORNMXACCRKO-UHFFFAOYSA-N 328.481 5.052 0 40 EKAB C[C@@H]1[C@H]2C[C@H](c3ccc(OC(=O)Nc4ccccc4)cc3)[C@H](C2)C1(C)C 2347335 COBDRXXOEJTYQG-UWGQAIRJSA-N 349.474 6.083 0 40 EKAB Fc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 3194369 LIVATJKULCBZSD-UHFFFAOYSA-N 326.421 5.150 0 40 EKAB Cc1c(Cl)cccc1NC(=O)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12 4466721 BJQLPOYHBJQLJD-GZJKIIHFSA-N 343.898 5.916 0 40 EKAB c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 4853943 ULKNDEUATRAGMY-IFMALSPDSA-N 332.447 5.137 0 40 EKAB O=C(Nc1ccccc1F)c1ccc(-c2ccccc2C(F)(F)F)o1 6227260 NXWOTNAWPKQCIU-UHFFFAOYSA-N 349.283 5.357 0 40 EKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 7375631 FVPGAETWMHYSEY-SDNWHVSQSA-N 345.442 5.307 0 40 EKAB C[C@H](NC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(Cl)cc1 10277419 PNYULROTIFYPDA-STQMWFEESA-N 342.826 5.208 0 40 EKAB C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1cc2ccccc2o1 12926583 DFBYNJXHPRAHJU-JTQLQIEISA-N 334.202 5.231 0 40 EKAB Brc1ccc(/C=C(/c2ccccc2)c2ccncc2)cc1 13285230 HNBZZCLSELGVHD-RGEXLXHISA-N 336.232 5.433 0 40 EKAB Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc1 13628517 BMZVYTIYAUGBRR-IBGZPJMESA-N 333.460 5.116 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1Cl 13709084 RMOACDZPTFVXMS-CQSZACIVSA-N 339.822 5.208 0 40 EKAB O=[N+]([O-])/C=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 14136199 FCLZHAZEXHFWRE-BQYQJAHWSA-N 347.201 5.244 0 40 EKAB COc1ccc(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)cc1C 15018242 WARQQVVEHNJUPJ-FQEVSTJZSA-N 343.426 5.008 0 40 EKAB CCCC[C@H](CC)CCC(CC[C@H](CC)CCCC)S(=O)(=O)O 17146877 OVFSRTCHWHAQPF-DFNIBXOVSA-N 348.593 6.236 0 40 EKAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 25470586 YMUQBWXCZZAVLX-UHFFFAOYSA-N 346.883 5.162 0 40 EKAB Cc1nc2c(-c3ccccc3)cnn2c(Nc2cccc(Cl)c2)c1C 27586120 KZOAIYHWVFGETA-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB O=C(CSc1cccc2ccccc12)Nc1cccc(Cl)c1 32692500 NXRKLWHDEZYRQT-UHFFFAOYSA-N 327.836 5.224 0 40 EKAB Cc1sc(Nc2ccccn2)nc1-c1ccc(Br)cc1 32899514 IBERGFFMMBMFKM-UHFFFAOYSA-N 346.253 5.020 0 40 EKAB CCCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 33792620 YHOHXDGANHUBQZ-VNXMGFANSA-N 328.496 5.083 0 40 EKAB Fc1ccccc1Nc1nc(COc2cccc(Cl)c2)cs1 40156598 XFSVWTRBTKQERB-UHFFFAOYSA-N 334.803 5.258 0 40 EKAB C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(F)cc1 44901948 QOUQFXCCWBSDGU-KRWDZBQOSA-N 347.433 5.102 0 40 EKAB CCCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)cc3)OC2)CC1 100074544 DYTFHSBEGBGUMI-YVHJFPRLSA-N 334.475 5.874 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C)cc1C 408586704 OWHBWONGUUQYRD-UHFFFAOYSA-N 331.843 5.388 0 40 EKAB Fc1ccc(Sc2ncccc2-c2nc3ccccc3s2)cc1 1383349 JXRQSUMHLRWBIR-UHFFFAOYSA-N 338.432 5.649 0 40 EKAB Cc1cc(C)c(C(=O)[C@H]2Oc3ccccc3[C@@H]2c2ccccc2)c(C)c1 1728142 GRVACMBVIMCUDA-UPVQGACJSA-N 342.438 5.388 0 40 EKAB Cc1ccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 2278393 UNKVSDVQYGOOSP-UHFFFAOYSA-N 346.817 6.051 0 40 EKAB CSc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 3324423 XPEZRDOPKOPNOU-UHFFFAOYSA-N 343.304 5.524 0 40 EKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@H]2CCC[C@@]1(C)NCc1ccccc1 4428480 MMVNVYJRDHSDSD-ISJGIBHGSA-N 347.546 6.188 0 40 EKAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)nc2c1 5357404 HJADZQMSPYWELO-ZDUSSCGKSA-N 349.459 5.025 0 40 EKAB Cc1ccc(F)cc1NC(=O)COc1ccc2oc3ccccc3c2c1 5688142 GPQRZMVTFIWNGL-UHFFFAOYSA-N 349.361 5.051 0 40 EKAB Cc1cc(C)cc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 6832086 ZHESBCGIXFIZIH-UHFFFAOYSA-N 326.403 5.052 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 7400913 IRHGJNKWVMLXEG-MRXNPFEDSA-N 339.479 5.261 0 40 EKAB Cc1ccc([C@H](NC(=O)c2cc3ccccc3o2)c2cccs2)cc1 9910496 YQOVNUNGNIDCOQ-FQEVSTJZSA-N 347.439 5.322 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 10338838 CVQJFKMYBBUNPP-UHFFFAOYSA-N 341.760 5.239 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Cl)ccc1Cl 12987718 VCCSMIQHVPMIDQ-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB Fc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2)cc1 13935950 OFFVNEIEZOLIGR-UHFFFAOYSA-N 336.435 5.229 0 40 EKAB O=C(Nc1ccc(Cl)cc1Cl)N1CCC(c2ccccc2)CC1 16478393 DTMIJAGPRMVQIB-UHFFFAOYSA-N 349.261 5.405 0 40 EKAB CC[C@H](C)Oc1ccc(NC[C@@H](CC)Oc2ccc(C)cc2)cc1 19737530 NRDIPSRMBKGZAY-PKOBYXMFSA-N 327.468 5.442 0 40 EKAB Fc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1 21017269 HRUYSVZAWMVHHI-UHFFFAOYSA-N 339.373 5.380 0 40 EKAB Clc1ccc(C2=N[C@@H](c3ccccc3)N3[C@H]2[C@@H]3c2ccccc2)cc1 36378020 JTMWJVWEVLMMNX-AZRAODJOSA-N 344.845 5.267 0 40 EKAB Clc1cc(Cl)c2nc(-c3ccc(Br)cc3)cn2c1 40715129 WUYLRMKJPLGGDU-UHFFFAOYSA-N 342.023 5.071 0 40 EKAB O=C(CNc1ccccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 59461516 OSCSRSMRRWIUCT-UHFFFAOYSA-N 333.818 5.206 0 40 EKAB O=C(NCc1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)o1 113941173 QHARXVHPSRKSEX-UHFFFAOYSA-N 335.790 5.169 0 40 EKAB CC[C@@]1(C(=O)OC)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927316 GYAMUDPQHVRNEM-FBCDCLDFSA-N 346.555 5.989 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C)c1C 222909523 FLMAJOYPTPHXIM-HXUWFJFHSA-N 339.479 5.397 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C 225690630 WBGOIFCSJZVDLO-NRFANRHFSA-N 349.515 5.262 0 40 EKAB Cc1ccc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2c1 226294959 OVGNALNEJHKRCD-UHFFFAOYSA-N 349.817 6.036 0 40 EKAB CCCN(CCC)[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 408734501 VJXDUQCTKNKVNH-LJQANCHMSA-N 344.886 5.142 0 40 EKAB CCc1ccccc1NCc1ccc(OCc2ccccc2F)cc1 409110269 AQLMSJMHWSBSRN-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB CC(=O)c1ccc(Oc2cccc(Oc3ccc(C(C)=O)cc3)c2)cc1 261802 SFHAXQSMZNQASV-UHFFFAOYSA-N 346.382 5.676 0 40 EKAB biogenic O=C(O)CCCCCCCCCCOc1ccc(Cl)cc1Cl 1680722 KLLFBPVLBUOEFD-UHFFFAOYSA-N 347.282 5.968 0 40 EKAB CCCCOP(COCCC)NP(C(C)(C)C)C(C)(C)C 3154610 BSQXIMCYLHAMOB-UHFFFAOYSA-N 337.425 6.083 0 40 EKAB Cc1c(C(=O)OCc2csc(-c3ccccc3)n2)oc2ccccc12 3304073 HRJXWLPHZCXBML-UHFFFAOYSA-N 349.411 5.222 0 40 EKAB O[C@@H]1C=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C1 5046055 UCXPRAJDTFLIAK-NHTMILBNSA-N 326.439 5.402 0 40 EKAB CC(C)CCCCCOC(=O)/C=C/C(=O)OCCCCCC(C)C 5440862 QIGLLCHDIZAZFE-BUHFOSPRSA-N 340.504 5.062 0 40 EKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O 6478694 PNUJIHYQACQEPS-BLAZZTHISA-N 349.455 5.178 0 40 EKAB CCc1ccccc1-n1c([C@H]2C[C@H]2c2ccc(C)cc2)n[nH]c1=S 6871118 YYRNPNSRUBJHDG-IRXDYDNUSA-N 335.476 5.072 0 40 EKAB O=C(Nc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 7699423 CZTSWQRXOXAFDA-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB C[C@H](C(=O)Nc1ccncc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419685 LKJYTIWHJDFCDH-LBPRGKRZSA-N 349.821 5.112 0 40 EKAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 13708648 CAVBGOLSRDLRJF-INIZCTEOSA-N 349.430 5.033 0 40 EKAB S=C(Nc1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 13839204 RIIUIFYRHLOMGO-UHFFFAOYSA-N 337.275 5.143 0 40 EKAB Cc1cc2occ(CC(=O)Nc3ccc(Cl)cc3Cl)c2cc1C 15320532 JCXAJHJDXOQKBF-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 20039383 JPDLJIHRUZBLKY-DNVCBOLYSA-N 345.870 5.011 0 40 EKAB CC(C)c1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 20362312 YZIPVBIXQHUSDA-UHFFFAOYSA-N 343.220 5.550 0 40 EKAB Brc1ccc(Oc2nc(-c3ccccc3)cs2)cc1 24971150 URQIPFUNMGOKGL-UHFFFAOYSA-N 332.222 5.365 0 40 EKAB Cc1ccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)cc1 27582632 BFCAQYDDUQAGSA-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB CCN(C(=O)Nc1cccnc1Cl)[C@H](C)c1cc2ccccc2o1 68649558 SOLWFDUGJHBZEJ-GFCCVEGCSA-N 343.814 5.096 0 40 EKAB CC(C)(C)OC(=O)Nc1c(Cl)cc(Br)cc1Cl 83501798 MYHAQCUMLHECGK-UHFFFAOYSA-N 341.032 5.103 0 40 EKAB CCCCC(=O)NCC12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100845919 XVFTUHVIFZKMDE-WSUXWNOTSA-N 339.523 5.139 0 40 EKAB Cc1ccsc1[C@@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 102671459 VCQBRIMGWSDBEX-GOSISDBHSA-N 338.476 5.928 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C)cc(C)c1 113970369 RVBZBFWJVHGXKR-GOSISDBHSA-N 331.843 5.061 0 40 EKAB CC1CCN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)CC1 216799438 FNJQRAGRWIFMBL-UHFFFAOYSA-N 340.854 5.380 0 40 EKAB Cc1cc(Cl)ccc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 225075620 ZLKIEVKHWZQEDE-OAHLLOKOSA-N 341.259 5.090 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225324581 FJQJPFFPWHGDRH-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB CC[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(C)c(C)c1 225711211 IRBDKNBDEOMGNZ-INIZCTEOSA-N 334.435 5.019 0 40 EKAB CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)[C@@H](O)CC(=O)O 238791379 LINWKSYGMQNQNZ-HAGHYFMRSA-N 342.564 5.897 0 40 EKAB O=C(c1cccc(F)c1)N(c1ccccc1)c1ccc2ccccc2c1 259726 JEIBRAUVCZSXFN-UHFFFAOYSA-N 341.385 5.957 0 40 EKAB O=C(Nc1cccc(Br)c1)c1ccc(Cl)cc1Cl 514169 HJOVDJOTLMCPAZ-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB Cc1ccc2c(CC(=O)Nc3cc(Cl)ccc3Cl)coc2c1C 1105730 SDYZHMGRSNCZKB-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB COc1ccc(Nc2ncnc3sc(C)c(-c4ccccc4)c23)cc1 1915546 DNSMROFYWPFYSB-UHFFFAOYSA-N 347.443 5.419 0 40 EKAB CC(=O)N(CC[C@@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccco1 2108521 XTZVNPCEIGOVPL-NRFANRHFSA-N 349.515 5.030 0 40 EKAB biogenic CC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2csc3ccccc23)cc1 2769905 HVNXVFUJXUBMNF-HUUCEWRRSA-N 337.488 5.906 0 40 EKAB Fc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)cc1 3118220 GYBCPOUHHCDPCV-QHCPKHFHSA-N 329.418 6.473 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C 3241578 LYLMRTRBOHIQKJ-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB CSc1ccccc1Nc1ncnc2sc3c(c12)CCCC3 3339872 YMKJVSFQEPLHJQ-UHFFFAOYSA-N 327.478 5.036 0 40 EKAB CC(C)=CCC/C(C)=C/Cc1c(O)c(C)cc2c1[nH]c1ccccc12 3873194 JSSIAXXILAGJKE-FOWTUZBSSA-N 333.475 6.570 0 40 EKAB biogenic Clc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 4336435 HDHUSKBIQNFZAC-OAQYLSRUSA-N 349.886 6.698 0 40 EKAB N=c1oc2ccccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 4802365 RTXZHZMHLDGENQ-UHFFFAOYSA-N 338.819 5.356 0 40 EKAB aggregator Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3N(C)c3ccccc32)c1 5337773 FZXALEYJYRXXQX-HXUWFJFHSA-N 342.442 5.041 0 40 EKAB S=c1nc(-c2ccccc2)ccn1-c1cccc(Br)c1 5741180 MRIMALNYDMAOCB-UHFFFAOYSA-N 343.249 5.031 0 40 EKAB c1ccc(-c2cc3c(SC[C@@H]4CCCCO4)ncnc3s2)cc1 6114502 IOWSXQMBEHZRFZ-AWEZNQCLSA-N 342.489 5.020 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)Cc1cccc(C(F)(F)F)c1 6232134 UZTVSGNPDGOPPL-UHFFFAOYSA-N 335.369 5.318 0 40 EKAB Cc1ccccc1SCC(=O)Nc1ccccc1Oc1ccccc1 7777660 HTKAVBUZPHBXEM-UHFFFAOYSA-N 349.455 5.518 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2ccccc2)c2ccccc2)cc1 16243013 WIQAXQGWELDZKW-HXUWFJFHSA-N 332.472 5.071 0 40 EKAB CCCc1ccc([C@@H](C)NC(=S)Nc2ccccc2CC)cc1 17066877 ITINIOXJVOZSGJ-OAHLLOKOSA-N 326.509 5.249 0 40 EKAB CCCCCCOc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736511 HOHBIWFWHIOYML-UHFFFAOYSA-N 346.858 5.134 0 40 EKAB CC(C)(C)c1ccc(-c2nc(CNc3ccc(Cl)cc3)n[nH]2)cc1 40174525 NAPNPRXPQIEQHX-UHFFFAOYSA-N 340.858 5.035 0 40 EKAB Cc1cc(C)cc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn23)c1 40216632 KQPAPBSCWZOXQG-UHFFFAOYSA-N 342.446 5.374 0 40 EKAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 59297616 ZGWFQGOJIXIGHQ-ZDUSSCGKSA-N 330.859 5.520 0 40 EKAB Cc1ccc(-c2nc3ccccc3n2-c2ccc(N(C)C)cc2)cc1 73739971 ZTYQCFNKVFJZRS-UHFFFAOYSA-N 327.431 5.067 0 40 EKAB C[C@@H](N[C@@H](c1ccccc1)c1ccccn1)c1cnc2ccsc2c1 95419296 SLQBXBFSLZOEOU-VFNWGFHPSA-N 345.471 5.132 0 40 EKAB Clc1ccccc1-c1nc2cc(CNC3CCCCC3)ccc2o1 216798718 OWBYIOQMUKTOBD-UHFFFAOYSA-N 340.854 5.571 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1C 222949677 PFZAOUCHLIVZQU-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 222987602 XZETUWSWUATMBT-OAQYLSRUSA-N 339.479 5.442 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)cc1 225483187 VJFOAYFVMRCSPN-INIZCTEOSA-N 348.899 5.095 0 40 EKAB CSc1nc2cc(Cl)c(Oc3ccc4ccccc4c3)cc2[nH]1 33501 CXAMQNQDJFZVFJ-UHFFFAOYSA-N 340.835 5.884 0 40 EKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 60704 OBKYKQNEGSGTER-UHFFFAOYSA-N 344.458 5.226 0 40 EKAB CCc1ccc2nc(Nc3nc4ccc(OC)cc4s3)sc2c1 4137700 LLCFZRBRTSODID-UHFFFAOYSA-N 341.461 5.221 0 40 EKAB CCCC[C@@H](CC)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12 4620626 MRSPQGSELHNKPV-MRXNPFEDSA-N 347.462 5.452 0 40 EKAB CCc1nc(SCc2ccc(C)cc2)c2oc3ccccc3c2n1 5519199 VNEGJQYPFHCAHX-UHFFFAOYSA-N 334.444 5.539 0 40 EKAB Cc1ccccc1CSCC(=O)c1ccc2c(c1)-c1ccccc1C2 6839682 MCHZSZHLXBIZTH-UHFFFAOYSA-N 344.479 5.682 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl 6880735 FTDPRXFRUYHVTP-UHFFFAOYSA-N 344.669 6.048 0 40 EKAB CCCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 7261281 DKUBUIHVBORNLZ-UHFFFAOYSA-N 347.886 5.207 0 40 EKAB COc1ccc(-c2ccc(CNC3CCCCCC3)o2)cc1Cl 7539669 QJCNHKBQNPMEPF-UHFFFAOYSA-N 333.859 5.421 0 40 EKAB Cc1ccc2nc(-c3cc(NC(=O)CC(C)C)ccc3Cl)oc2c1 14257905 WZFMXUXDQXLNSV-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB COC(=O)CCCCCCCCCCCCCCc1ccccc1 14652081 ABOXOJMJRBLUDL-UHFFFAOYSA-N 332.528 6.473 0 40 EKAB CCCCCCC1N2[C@@H](CCCCCC)N[C@H](CCCCCC)N12 19170341 IJPBLGWXZQMFLK-KIRVNFFNSA-N 337.596 6.012 0 40 EKAB CCc1ccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)cc1 27586188 JEFJCRJRYVFXLG-UHFFFAOYSA-N 342.446 5.319 0 40 EKAB Cc1cccc(-c2nnc([C@H](C)N[C@H](C)c3ccccc3Cl)o2)c1 39990603 DCVFQQZTMWAVQG-KGLIPLIRSA-N 341.842 5.110 0 40 EKAB Cc1cc(C)c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C)c1 40095774 DUVLPROSHLELJJ-GOSISDBHSA-N 326.415 5.120 0 40 EKAB Oc1cc(/N=N/c2ccc(Br)cc2)c2ccccc2c1 101063741 KAMSHOSJDZBOJH-VHEBQXMUSA-N 327.181 5.723 0 40 EKAB Cc1ccc(C2=C[C@@H](c3ccc(C(C)C)cc3)n3ncnc3N2)cc1C 102402285 IIARYTAZZKLUNP-NRFANRHFSA-N 344.462 5.074 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 222922607 QRBQCULFQBWOPP-SFHVURJKSA-N 347.405 5.058 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C 223399202 NQQALHDSQQAGJW-MSOLQXFVSA-N 341.520 5.111 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1C 223589314 NXJVZHIMBHDSCC-UHFFFAOYSA-N 329.443 5.542 0 40 EKAB O=C(NCc1ccccc1)c1sc2cc(Cl)ccc2c1Cl 297937 SFUIFKKKMQXYQS-UHFFFAOYSA-N 336.243 5.138 0 40 EKAB O[C@H]1C[C@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21 1383522 PAQCIBLMLRKGNI-MOPGFXCFSA-N 336.818 5.701 0 40 EKAB CCCCC[C@@H](CN(C)C)[C@H](O)CCc1ccc(Cl)c(Cl)c1 1731554 HEFONFMNWNTALQ-MAUKXSAKSA-N 346.342 5.045 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)Oc1cccc2ccccc12 1738522 MIGWIDOJLJLKGW-UHFFFAOYSA-N 332.186 5.758 0 40 EKAB CCCSc1nc(Cl)c2c3c(sc2n1)CO[C@](C)(CC)C3 2391984 MFHXVJGSYOAMBC-OAHLLOKOSA-N 342.917 5.088 0 40 EKAB COc1ccc2nc(NCc3ccc(Cl)cc3Cl)sc2c1 2655628 BQFYLIIPXKXSSB-UHFFFAOYSA-N 339.247 5.224 0 40 EKAB Cc1ccc(NC(=O)c2cccc(-c3ccc(O)cc3)c2)cc1Cl 3252894 VRSMYGOYOFUIII-UHFFFAOYSA-N 337.806 5.273 0 40 EKAB c1ccc(-c2csc(Nc3nc(-c4ccccc4)cs3)n2)cc1 4147034 NLADKWIJSMCHLV-UHFFFAOYSA-N 335.457 5.677 0 40 EKAB N=C(N)S[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 4620814 QOMOBYIZFILMDC-CYBMUJFWSA-N 343.666 5.343 0 40 EKAB CCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccc(C)cc2)cs1 6826540 AYFATZKDGXLJNS-UHFFFAOYSA-N 336.460 5.094 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1C(F)(F)F 8707044 UTCYYHAPYSYHNI-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB CC(C)Oc1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 10356939 JZGDLWAGIDPKKE-UHFFFAOYSA-N 325.452 5.169 0 40 EKAB CCCCOc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl 14032044 MANHTDPAMFLECH-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OCC 16031396 YSIKJUVHBKXECP-UHFFFAOYSA-N 341.451 5.133 0 40 EKAB CO[C@H]1OC(=O)C=C1CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 35457880 AOLDOTFMZGDKTF-ONKRVSLGSA-N 332.484 5.021 0 40 EKAB biogenic,in-vitro Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(C)cc4)oc3c2)cc1 95116519 XVWHMHUTNAZFJP-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225502293 KFNOVZTUHSUOEI-NRFANRHFSA-N 346.499 5.379 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225624287 YNLASMQJSDDYED-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB CCCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCCC1 225655889 YERAAEGYZIDEKR-KRWDZBQOSA-N 347.499 5.159 0 40 EKAB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CC[C@@H](C)O 248026844 OMRDSKNXJYXBEL-JDAGULRNSA-N 332.572 6.673 0 40 EKAB biogenic CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OCCN 271773538 DLHLOYYQQGSXCC-LIJGZOPESA-N 347.543 5.634 0 40 EKAB Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1 409114905 RDLPVGOFHKWJOF-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCC 409121128 WGPRACDRUYEATI-UHFFFAOYSA-N 333.859 5.312 0 40 EKAB CC[C@@H](C(=O)c1sc2ccc(Cl)cc2c1C)c1ccccc1 575362264 QHYWZLKUZGDGBY-OAHLLOKOSA-N 328.864 6.240 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1Cl 92358 YWYTYDYUMRDTGO-GWCFXTLKSA-N 332.658 5.178 0 40 EKAB Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 399657 MXCYXJGTLDGUFA-UHFFFAOYSA-N 331.419 5.691 0 40 EKAB Cc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1C 569704 JKKJPMFBJZGEBN-UHFFFAOYSA-N 330.840 5.127 0 40 EKAB O=C(c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1382888 COGJPUBEMBZBLL-HUUCEWRRSA-N 335.628 5.089 0 40 EKAB C[C@@H](CC[C@H](C)[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1 1666355 LLSXNKYYYBNQPM-PMACEKPBSA-N 342.486 5.170 0 40 EKAB CCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 2087832 BIPADGVUDNTFKX-UHFFFAOYSA-N 330.431 5.569 0 40 EKAB CCCCCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 2278818 MQTRKKIUKMCBAR-DEOSSOPVSA-N 349.518 6.088 0 40 EKAB Cc1ccccc1NC(=O)CCCSc1nc2ccccc2s1 2622279 VHKVPZRFWMEMJE-UHFFFAOYSA-N 342.489 5.116 0 40 EKAB CCCCCOc1ccc(NC(=O)c2cccc3ccccc23)cc1 3096332 HBUZEBJECIREAX-UHFFFAOYSA-N 333.431 5.661 0 40 EKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)c1ccccc1 3314887 DKSZNHWGXGLWCL-LTGZKZEYSA-N 345.442 5.584 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 3383259 MZHZERADKDISLJ-JTQLQIEISA-N 326.248 5.113 0 40 EKAB Cc1ccc(-c2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 4657187 SLZWYJHJVPONGO-UHFFFAOYSA-N 326.399 5.225 0 40 EKAB CCCCC[C@@H]1CC[C@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@@H]1C 4663644 VBMOEUZKBIQGME-LEEZEASISA-N 349.562 7.411 0 40 EKAB O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 6339297 CMICDQCRSYAJOT-UHFFFAOYSA-N 349.861 5.112 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1C 44839566 WTJCTIZMYGZABU-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc([C@@H](C)SC)c1 96415969 PIZLMXOYKOHRCT-KDOFPFPSSA-N 343.496 5.121 0 40 EKAB COc1ccccc1[C@@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 100629909 VHDDGXKVTALFTA-NRFANRHFSA-N 348.446 5.567 0 40 EKAB Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 226348016 DQKADTKVLFKWTL-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB Cc1ccnc(N(Cc2ccccc2C(F)F)C(=O)OC(C)(C)C)c1 390823137 UAPSABJJVUSSLC-UHFFFAOYSA-N 348.393 5.269 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 585162598 XYFUVLIWAXYEIS-ZOYJPBRRSA-N 329.871 5.607 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c2ccccc12 50748 VBNSCIMOMXICFM-UHFFFAOYSA-N 334.177 5.538 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(F)c1)c1cccnc1 75390 CKAQUJCPEYVPJE-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB Cc1cc(C)cc(NC(=O)c2cc(CC(C)C)nc3ccccc23)c1 411552 HZMPKKRXSOZDEG-UHFFFAOYSA-N 332.447 5.302 0 40 EKAB CCN(CC)S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 574287 WPKAUWZSQZORSR-UHFFFAOYSA-N 339.545 5.087 0 40 EKAB O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccccc1Cl 1640193 GAIZEDOIOFGPTR-UHFFFAOYSA-N 337.810 5.728 0 40 EKAB CCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C 2335745 CILLEQOHMDEEAL-CZQWAENCSA-N 337.507 5.266 0 40 EKAB Cc1ccccc1NC(=S)N[C@@H](C)c1ccc(-c2ccccc2)cc1 3477528 DYTJTURLOQQARB-KRWDZBQOSA-N 346.499 5.710 0 40 EKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(Cl)cc1 4014745 HOAXPVKANJPWLP-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB O=C(O)Cc1c(-c2cccs2)nc2ccccc2c1-c1ccccc1 5156881 QBDGPSFOVVOPOZ-UHFFFAOYSA-N 345.423 5.257 0 40 EKAB CCCCSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5206540 KAENQPIGRXTWCB-UHFFFAOYSA-N 342.508 5.196 0 40 EKAB O=C1Nc2ccccc2/C1=C\c1ccc(-c2nc3ccccc3s2)o1 5234454 RHLXVOQTYQUDEK-SDNWHVSQSA-N 344.395 5.049 0 40 EKAB Cc1cccc(-n2c(C)nnc2SCc2cccc3ccccc23)c1 5357791 JJOLHVDCNMCXOF-UHFFFAOYSA-N 345.471 5.330 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)C)cc1 5476445 LCBYDZQSHRYXSQ-UHFFFAOYSA-N 325.452 5.259 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 6212880 BLCQVHFENGZZER-UHFFFAOYSA-N 332.403 5.218 0 40 EKAB Cc1occc1C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 6254748 HDGPXMFMUQSEDD-UHFFFAOYSA-N 340.448 5.261 0 40 EKAB CC(C)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 6375473 CGJOQLVFGFPRHL-UHFFFAOYSA-N 329.443 5.658 0 40 EKAB Cc1nc2sccn2c1-c1nc(-c2cccc3ccccc23)cs1 6565192 FVOAWXXDSBCWHR-UHFFFAOYSA-N 347.468 5.648 0 40 EKAB CCOc1cccc(CNC2CCCCC2)c1OCc1ccccc1 7539383 VJARDRRJDQPZOU-UHFFFAOYSA-N 339.479 5.087 0 40 EKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccccc5)c23)C[C@@H](C)CC4)C1 12633503 HVZGDFGBSDZBGU-GJZGRUSLSA-N 347.527 6.213 0 40 EKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)C(C)(C)C)c3)oc2c1 14257910 WUOSHRGITNAITB-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1C 15867475 PRFHAKYTJZGBTK-UHFFFAOYSA-N 337.394 5.274 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1C 22526087 IOKLMVSVLHYCIU-QGZVFWFLSA-N 333.884 5.466 0 40 EKAB Cc1nc2c(-c3ccccc3)cnn2c(Nc2ccc(Cl)cc2)c1C 27586105 ORQKPDZDVZRCBT-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 30850844 OEKAYTQUTLLGLZ-LJQANCHMSA-N 345.870 5.479 0 40 EKAB Cc1cc(C)c(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)c(C)c1 72332195 PFCVLKZZWPLOGQ-HNNXBMFYSA-N 342.483 5.289 0 40 EKAB Cc1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1C 73639737 FFSBIOVCTORHRS-UHFFFAOYSA-N 344.252 5.998 0 40 EKAB CC(C)c1cnc(C[S@@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)o1 95414536 UNQUHSIODKQJAB-UZJPJQLHSA-N 346.279 5.115 0 40 EKAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118926024 WCRNVUWHLPSYKR-QFQZRAANSA-N 346.555 5.845 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)cc1 225485272 JQRHSZMEBFNDLT-LJQANCHMSA-N 342.508 5.220 0 40 EKAB Cc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225502323 KFNOVZTUHSUOEI-OAQYLSRUSA-N 346.499 5.379 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1(c2ccccc2)CCCC1 225807686 XBLXPSJYBPDDLZ-IBGZPJMESA-N 349.518 5.371 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225831634 POCCLHNFRJIKKZ-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB CC(C)n1cc(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 409102613 DOBINEXNCBPTFC-ODLFYWEKSA-N 334.444 5.308 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2sc(C)nc2c1 180447 YEYYPNVLMBQTRW-UHFFFAOYSA-N 348.427 5.019 0 40 EKAB CC(=O)c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1 346836 MTJYPOAPCYLPOC-UHFFFAOYSA-N 331.651 6.001 0 40 EKAB Cc1ccn2c(Nc3c(C)cccc3C)c(-c3cccs3)nc2c1 426793 ABRJRLFKSYOWOT-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB CCCCN(CCCC)C[C@H](O)c1ccc(Cl)c2ccccc12 1683571 ZDTIUXNNBFKOPX-FQEVSTJZSA-N 333.903 5.429 0 40 EKAB CCOP(=O)(OCC)[C@H](Nc1ccc(F)cc1)c1ccccc1 1833208 UJIFTMKGZMKICP-KRWDZBQOSA-N 337.331 5.203 0 40 EKAB Cc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1 2727885 RDNJSMLARVEGND-MRXNPFEDSA-N 348.924 5.093 0 40 EKAB O=C1c2ccccc2N[C@H](c2ccsc2)N1c1ccc(Cl)cc1 3257292 FGIMKNPGVVQVDZ-KRWDZBQOSA-N 340.835 5.173 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 3327728 CXNRHJXUBPSSBF-MIZPHKNDSA-N 333.475 5.298 0 40 EKAB c1ccc([C@H]2Sc3ccccc3NC3=C2CCc2ccccc23)cc1 4187088 YKENHWMLSVKHJE-HSZRJFAPSA-N 341.479 6.303 0 40 EKAB COc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 4966258 QBDZZRAMQARRBW-NTEUORMPSA-N 327.383 5.674 0 40 EKAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1 7596245 BYGVLSIHAYJCKS-UHFFFAOYSA-N 344.439 5.139 0 40 EKAB Fc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)c(Cl)c1 8325939 TUJDDOQVBPTVEP-UHFFFAOYSA-N 342.679 5.233 0 40 EKAB CCCCc1ccc(NC(=O)c2c(OCC)ccc3ccccc23)cc1 8382807 YJNUOJPMAJLXAM-UHFFFAOYSA-N 347.458 5.833 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc(C)c1Cl 14396195 XZKYKLFPSYFKGT-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB COc1ccc(-c2csc(SCc3ccc(C)cc3)n2)cc1 16292507 XURBCHKZKMLDTL-UHFFFAOYSA-N 327.474 5.419 0 40 EKAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 20492629 PKHORHBNHZWHTR-HXUWFJFHSA-N 349.430 5.035 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1 20495335 UYZIJRSANRVBAC-HTAPYJJXSA-N 347.458 5.183 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 21311775 YQPUGILKGMLATM-XCVCLJGOSA-N 325.717 5.011 0 40 EKAB CC(C)(C)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 26571142 XSUPOBQIDSFNOO-UHFFFAOYSA-N 345.442 6.321 0 40 EKAB CC(C)(C)c1ccc2c(Cl)c(C(=O)NC3CCCCC3)sc2c1 26688034 XNDHEYAAQGTTGJ-UHFFFAOYSA-N 349.927 5.915 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1c(C)cccc1C(C)C 30848760 GILFZQDILORSDY-SFHVURJKSA-N 325.452 5.223 0 40 EKAB C[C@@H](NC(=O)c1c(F)cccc1F)c1ccc(-c2ccccc2)cc1 32978403 DWJWOUIOQGHMLP-CQSZACIVSA-N 337.369 5.123 0 40 EKAB Clc1ccc2nc(NCc3ccco3)cc(-c3ccccc3)c2c1 48229434 TXIZONBSQVFMQE-UHFFFAOYSA-N 334.806 5.760 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl 216134995 FGUZECWJHJZPEC-LJQANCHMSA-N 339.822 5.289 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219318404 ANHGVSKVULZVLY-RTWAWAEBSA-N 339.479 5.037 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC(C)C)c1ccccc1 219592867 KWDUEHFOEPAYBA-NHCUHLMSSA-N 339.479 5.056 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223142442 LPDDBEVIZROFSP-HXUWFJFHSA-N 338.520 5.312 0 40 EKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 225148975 VTKIHOJHNQVFBW-UHFFFAOYSA-N 345.398 5.545 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1 225491546 OKMBOAVSOAXFTC-IBGZPJMESA-N 326.509 5.377 0 40 EKAB CC[C@@H](CNC(=S)Nc1ccc(C)c(Cl)c1)Cc1ccccc1 225630775 NNGVBTHJGFWYMB-OAHLLOKOSA-N 346.927 5.204 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(Oc3nccs3)cc2)c(C)c1 225637033 IDGHBXSXUGTROO-UHFFFAOYSA-N 338.432 5.113 0 40 EKAB CCCOc1c(C)cc(NC(=O)[C@](C)(CCC)OCCC)cc1C 225740465 VMYZGGOVOKGMMF-FQEVSTJZSA-N 335.488 5.016 0 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Cc1ccc(CNC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 13841096 DOBZVNPRYWIIHW-UHFFFAOYSA-N 340.536 5.728 0 40 EKAB COc1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 20085903 OFQHJDQONOGHGC-UHFFFAOYSA-N 349.411 5.497 0 40 EKAB in-vivo CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(C)cccc1C(C)C 20484161 HLEJFSWPMJLRBY-HXUWFJFHSA-N 339.479 5.531 0 40 EKAB O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H]1c1cccs1 29797148 LXQXGOFXFBRWGG-CQSZACIVSA-N 331.506 5.056 0 40 EKAB CCN(Cc1ccccc1)Cn1c(=S)sc2ccc(Cl)cc21 57457819 MDGOYZMQYDSHGM-UHFFFAOYSA-N 348.924 5.565 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1cccc2[nH]ccc12 65490627 GAXJMASFFJVHNZ-UHFFFAOYSA-N 332.428 5.052 0 40 EKAB CC(C)(Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1Cl 96761835 ZAXRUPOAZXFNHW-PKNBQFBNSA-N 348.273 5.144 0 40 EKAB O=C(NCc1ccc(Cl)cc1Cl)C1(c2ccccc2)CCCC1 225058298 QDQFLXLYYSXOIV-UHFFFAOYSA-N 348.273 5.122 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1C 175338 ROGHOTRESFJBOC-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CCN(CC)CCN1c2ccccc2Sc2ccc3ccccc3c21 1561931 VKJJBAOUCOSHBQ-UHFFFAOYSA-N 348.515 5.784 0 40 EKAB in-vitro C[C@H]1C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)CC(C)(C)C1 2190162 YQRPRRZAKWEPHV-PXNSSMCTSA-N 335.491 5.150 0 40 EKAB FC(F)(F)c1cnc(Oc2cccc(-n3cccc3)c2)c(Cl)c1 3063514 OFVQCALPBABENH-UHFFFAOYSA-N 338.716 5.337 0 40 EKAB Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1 3256950 PFKUQMQTKFXTEI-QGZVFWFLSA-N 344.458 5.225 0 40 EKAB CCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)c(C)s2)cc1 3325922 QGELDVAFOIYYBW-UHFFFAOYSA-N 331.387 5.462 0 40 EKAB Cc1ccccc1CSc1ccc(-c2ccc(Cl)cc2)nn1 4355611 QYQHFRCDGINNEN-UHFFFAOYSA-N 326.852 5.398 0 40 EKAB CCc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1 4570548 ASYLRLWLYXFRFT-UHFFFAOYSA-N 341.842 5.133 0 40 EKAB C[C@H](NCc1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 7524185 ZNQJPIPOTKZLCW-LXGFQCHUSA-N 335.491 5.641 0 40 EKAB C[C@H](O)c1ccc(-c2ccc(CNC(C)(C)CC(C)(C)C)o2)cc1 7541219 JXGCLOSWJXUOFN-HNNXBMFYSA-N 329.484 5.304 0 40 EKAB C[C@H](NC(=O)CCCOc1ccccc1)c1ccc(C(C)(C)C)cc1 10276568 PZAMMKJMCZITNR-KRWDZBQOSA-N 339.479 5.021 0 40 EKAB Cc1cccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)n1 12913292 ACTWRDHDXFOMQN-UHFFFAOYSA-N 338.794 5.088 0 40 EKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)c1 13708476 FTJUUSSCGBQCFK-KRWDZBQOSA-N 333.431 5.171 0 40 EKAB CCOc1ccccc1NC(=O)c1cccc2c(Cl)cccc12 14258168 AFXOQXSWIJTJNM-UHFFFAOYSA-N 325.795 5.144 0 40 EKAB C[C@@H](CNc1cc(Cl)c(Cl)cc1Cl)Oc1ccccc1 19737933 HKQLPYTYXBIHEU-JTQLQIEISA-N 330.642 5.526 0 40 EKAB Cc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 21786829 AVOVJMDLMXJZCB-UHFFFAOYSA-N 331.444 5.279 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 22523233 LFKAXQWVFVXHPK-IBGZPJMESA-N 339.822 5.289 0 40 EKAB Cc1ccc(C)c(Oc2nc(-c3ccncc3)nc3ccccc23)c1 25164987 GLCPESJOIKFQAV-UHFFFAOYSA-N 327.387 5.101 0 40 EKAB C[C@@H](NCc1csc(Br)c1)c1cc2ccccc2o1 30545637 SLHULNKZXUQUOS-SNVBAGLBSA-N 336.254 5.108 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(Cl)cc2F)c(Cl)c1 71761747 QWLBGZYMBKJXKS-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Cc1cc(Nc2cccc(C(=O)O)c2)c2c(Cl)cc(Cl)cc2n1 78401707 KFVXXFHTLDQTPN-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)cc1F 96170959 UTBJHPWDYFXOBZ-UHFFFAOYSA-N 348.683 5.022 0 40 EKAB COc1cc(Cl)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 216915921 MGXJYJDTKFYTST-UHFFFAOYSA-N 327.598 5.199 0 40 EKAB CC(C)C[C@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 220017594 QWGXCMLHASKYGM-IBGZPJMESA-N 329.871 5.176 0 40 EKAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC(C)CC1 225669532 CWNIAJAIIMXKRU-UHFFFAOYSA-N 347.499 5.096 0 40 EKAB CCCCC/C=C/C/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCC(=O)OC 299888777 XAOMBLXPIQCTNG-UGHMHXJJSA-N 334.500 5.516 0 40 EKAB CC(C)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 99456 JJJCILQTYPGSED-UHFFFAOYSA-N 349.261 5.578 0 40 EKAB Cc1sc(Br)c(-c2ccccc2)c1Br 480781 MGZUKHVZBWRHQO-UHFFFAOYSA-N 332.060 5.249 0 40 EKAB Cc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1Cl 1298615 OIWDTTRFLQBDTF-UHFFFAOYSA-N 329.856 5.276 0 40 EKAB CC(C)(CCOC(=O)Nc1cccc2ccccc12)c1ccccc1 1648406 UGKJNTQUXKIYCV-UHFFFAOYSA-N 333.431 5.756 0 40 EKAB Clc1ccc(CSc2ncnc3sc4c(c23)CCC4)cc1 3236857 FKUCQVHYXKWITQ-UHFFFAOYSA-N 332.881 5.126 0 40 EKAB CC(=O)C(Sc1ccc(C)cc1)(Sc1ccc(C)cc1)C(C)=O 3252026 AMYFMYJFQYVOEW-UHFFFAOYSA-N 344.501 5.062 0 40 EKAB CCN(c1ccc(NC(=O)CCc2ccccc2Cl)cc1)C(C)C 3339586 AZZDRAIRCJFVKJ-UHFFFAOYSA-N 344.886 5.146 0 40 EKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C(C)C[C@]4(C)[C@H]3CC[C@]12C 4759031 BNUOBHYLRSENSB-BHXFFAOXSA-N 330.512 5.517 0 40 EKAB biogenic,in-vitro O=C(CSCc1ccc(F)cc1)Nc1cccc(Cl)c1Cl 7146329 VEQQKZIGQMPMKY-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB COc1ccc(OC)c(-c2csc(-c3cccc(Cl)c3)n2)c1 8391438 WTHXEWSGRQPZBK-UHFFFAOYSA-N 331.824 5.148 0 40 EKAB CCCCn1nc(C)c2c(C(F)F)cc(-c3cccc(OC)c3)nc21 17071986 ZSZGYHACWMZRBX-UHFFFAOYSA-N 345.393 5.153 0 40 EKAB C[C@@H](Sc1nc(-c2ccccc2)cs1)c1nc(C(C)(C)C)no1 24046284 WMOQFXFTVCQFGE-LLVKDONJSA-N 345.493 5.344 0 40 EKAB CC(C)(C)c1ccc(NC(=O)CCCC(=O)c2cccs2)cc1 24350777 CYSYXKKEJVPUFI-UHFFFAOYSA-N 329.465 5.037 0 40 EKAB Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 107030446 DLJVOOVKPFDACC-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H]1CCCc2ccccc21 225331615 ATUWKCGURPPEJY-SFHVURJKSA-N 348.273 5.120 0 40 EKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cccc(C)c2)cc1 225496582 CZTSOYRHHAKZKJ-LJQANCHMSA-N 342.508 5.077 0 40 EKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c2ccccc12 225841488 BADOIJZBJQZMPI-OAQYLSRUSA-N 343.467 5.018 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CC[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 226336014 QMOPYIPYDKCJRB-CVERSAMXSA-N 330.512 5.049 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CC[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245240604 QMOPYIPYDKCJRB-CZGJHWADSA-N 330.512 5.049 0 40 EKAB COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257345689 GNHLECXLLAGZRC-JBCKWKTNSA-N 332.528 5.251 0 40 EKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(F)F)cc1 408543423 PAAPISYTWUXLKF-UHFFFAOYSA-N 327.783 5.008 0 40 EKAB Cc1cccc(CNC(=S)c2ccccc2OCc2ccccc2)c1 408575224 NHLPUKZWIUGLFA-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB Cc1ccc(C(=O)Oc2ccc3c(Br)cccc3c2)cc1 383802 FSVUVQKFBHEJRE-UHFFFAOYSA-N 341.204 5.130 0 40 EKAB Cc1cccc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)c1C 385395 LWFCGOMQCABGAK-KRWDZBQOSA-N 347.433 5.852 0 40 EKAB O=C1N=C2C(=C(O)c3ccccc32)[C@H](c2ccc(Cl)cc2)S1 1252882 ZUBCNQDYTAAYJH-INIZCTEOSA-N 327.792 5.020 0 40 EKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 2733254 BBQKRCIHEJSGIS-UHFFFAOYSA-N 338.454 6.132 0 40 EKAB Cc1c(Cl)ccc(OCCCCCCN2CCC(C)CC2)c1C 3247023 OXCUPAOUHHTILK-UHFFFAOYSA-N 337.935 5.628 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 3660020 RWIKBIJHJFSTIH-UHFFFAOYSA-N 343.426 6.136 0 40 EKAB COc1ccc(CNCC[C@]2(CCC(C)C)CCOC(C)(C)C2)cc1 4073616 XPNODHDIPWQKBB-JOCHJYFZSA-N 347.543 5.187 0 40 EKAB biogenic CSc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)cc1 4678323 BPXZMDJQOVCNDK-UHFFFAOYSA-N 343.883 5.075 0 40 EKAB Cc1cc(NCCC(C)C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5572703 YCVJQLNOAMQLIP-UHFFFAOYSA-N 342.874 5.125 0 40 EKAB Cc1ccc(Sc2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1 5617787 IINFOQNEPVAZNQ-UHFFFAOYSA-N 347.487 5.203 0 40 EKAB CC(C)(C)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12 6720925 TTYRSMFJUFIWPF-UHFFFAOYSA-N 339.410 5.088 0 40 EKAB O=C(Nc1cccc(O)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 6882664 BBJTWZXIIKDQCS-UHFFFAOYSA-N 348.185 5.211 0 40 EKAB COc1ccc(OC)c(-c2csc(N[C@H](C)c3ccccc3)n2)c1 7643394 VWTMVKXPDNRZRB-CYBMUJFWSA-N 340.448 5.000 0 40 EKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2N[C@@H]3c2cccs2)cc1 13568930 AMFJTNYWDUKHMC-ICSRJNTNSA-N 349.434 5.163 0 40 EKAB Cc1sc2ncnc(SCc3csc(C(C)C)n3)c2c1C 31648952 YNGVSNOVKXJZED-UHFFFAOYSA-N 335.523 5.180 0 40 EKAB CCc1ccc(-c2nc3cc(CC)cc(Br)c3o2)cc1 73639717 QVBRQRSFTDIPME-UHFFFAOYSA-N 330.225 5.382 0 40 EKAB CCCCCCNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100970366 DDHPIIJLIXBOKQ-NAMINWQUSA-N 339.523 5.221 0 40 EKAB COC(=O)c1ccc(CC2CCCCC2)n1Cc1ccc(Cl)cc1 226024432 YXQZBERDFAUQBN-UHFFFAOYSA-N 345.870 5.099 0 40 EKAB Cc1cccc2cc(C(=O)NC(c3ccccc3)c3ccccc3)oc12 226044424 JTKNZCNLVUREDF-UHFFFAOYSA-N 341.410 5.261 0 40 EKAB c1ccc(Oc2cccc(CSc3nc4ccccc4[nH]3)c2)cc1 114682 CMZXNKZCFOTEKH-UHFFFAOYSA-N 332.428 5.648 0 40 EKAB Cc1ccc(C)c(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 414767 ITWQFRFCMPROGS-UHFFFAOYSA-N 335.432 5.127 0 40 EKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2sc3ccccc3c2Cl)C1 534909 PFBJGCVIEMIYDM-CWTRNNRKSA-N 347.911 5.596 0 40 EKAB CSc1cccc(NC(=O)Oc2c(Cl)cccc2Cl)c1 1753729 VAVPFWMAZZACPF-UHFFFAOYSA-N 328.220 5.326 0 40 EKAB CC(C)=C[C@@H](C(=O)c1ccccc1)[C@@H](CC(=O)c1ccccc1)C(C)C 2099914 XVTZCXVAUIOBQU-FCHUYYIVSA-N 348.486 5.997 0 40 EKAB biogenic Cc1cc2c(cc1C)CSC(c1cc(Cl)ccc1O)SC2 2270235 MODBECAJIBMXLU-UHFFFAOYSA-N 336.909 5.841 0 40 EKAB Cc1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 3213993 ICSDHQVGLPWVDK-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB CCCC[C@H](CC)CNC(=O)c1csc(Nc2ccc(C)cc2)n1 4675426 NSDBHVPMYVRFGB-HNNXBMFYSA-N 345.512 5.141 0 40 EKAB O=C1c2ccccc2N[C@H](c2cccs2)N1c1ccccc1Cl 4708909 VUEOWHYSYKVUPS-KRWDZBQOSA-N 340.835 5.173 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(Cl)cc1 5755991 PYQONUUVJYKTIM-UHFFFAOYSA-N 345.870 5.570 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc1 9141301 XOXOTLTWFAYDFJ-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB COc1cccc(-c2nc(-c3ccc(C)cc3)c(C)s2)c1OC 12814564 SIIMOHJMYIWAHE-UHFFFAOYSA-N 325.433 5.111 0 40 EKAB Cc1[nH]c2ccc(Br)cc2c(=S)c1C/C=C/Cl 13655924 BHHIXHMAWNNRDI-QHHAFSJGSA-N 328.662 5.263 0 40 EKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cc3ccccc3o2)cc1 14268918 JBNWXYRLDISTHQ-OAHLLOKOSA-N 334.419 5.064 0 40 EKAB Fc1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1Cl 22107475 CGEITMMLZBQPMG-UHFFFAOYSA-N 347.792 5.211 0 40 EKAB CC(C)c1nnc(S[C@H](C)c2ccc(F)cc2)n1Cc1ccco1 58004455 YKSJUEJSFZGDDR-CYBMUJFWSA-N 345.443 5.035 0 40 EKAB c1ccc2[nH]c(CCCCCCCCCC[C@H]3CCOC3)nc2c1 71405972 ICPBCYCLRJVGQD-SFHVURJKSA-N 328.500 5.653 0 40 EKAB Cc1cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)ccc1F 71760608 PRGHKCUJLPPION-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB COc1ccccc1-c1cc(-c2ccc(Cl)cc2)c2ccccc2n1 79112266 PLCAKUFSTNQENC-UHFFFAOYSA-N 345.829 6.231 0 40 EKAB CC(C)COc1ccc(NC(=O)C2(C)CCCC2)cc1C(F)(F)F 225954804 XVXRHFDXHAYLHB-UHFFFAOYSA-N 343.389 5.259 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2ccc(F)cc2)c(C)c1 409113971 JXNAJQJXVSTMAL-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CN1CCC[C@@H]1CCOc1cccc(F)c1Oc1ccc(Cl)cc1 585266242 VQPRPMQGQYJFTC-OAHLLOKOSA-N 349.833 5.135 0 40 EKAB FC(F)(Br)C(F)(F)CCCSCc1ccccc1 1083812828 BSWJFAWWLFVDOB-UHFFFAOYSA-N 345.199 5.323 0 40 EKAB O=C(C[C@H](c1ccc(F)cc1)c1ccco1)Nc1ccc(Cl)cc1 521358 PGWXJLZKWOUGMR-QGZVFWFLSA-N 343.785 5.233 0 40 EKAB Cc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 533098 ANVLYHYLPHHENY-UHFFFAOYSA-N 328.371 5.103 0 40 EKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC=C(C)C)cc12 547551 HSVAAFRDXWKYEV-UHFFFAOYSA-N 330.424 5.252 0 40 EKAB biogenic CCN(CC)Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 568244 VMICTQJQYLFCCU-UHFFFAOYSA-N 338.495 5.078 0 40 EKAB Cc1cc(-c2csc(NCCc3ccccc3)n2)ccc1Cl 2561955 YURCAJDEOGLNJW-UHFFFAOYSA-N 328.868 5.427 0 40 EKAB Cc1ccc(NC(=O)[C@H](Nc2cccc(C)c2)c2ccccc2)cc1 3326541 WRCXFULUOFBSED-OAQYLSRUSA-N 330.431 5.095 0 40 EKAB Cc1ccccc1N1N=C(/C=C/c2ccccc2)C[C@@H]1c1ccccc1 4322629 KFCXXEMEAFBTHW-GQRCBVMOSA-N 338.454 6.016 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c(C)c1 8480872 SFBABUVTBYBKRU-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB C/C(=C\c1ccccc1)CN[C@H](Cc1ccsc1)c1nccs1 12219350 ZAPCKDIDFHXCIM-HAZIXKIPSA-N 340.517 5.182 0 40 EKAB Clc1ccc(COc2ccccc2CNCc2ccccc2)cc1 16480149 BXAGAMFYEFKOII-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB CCN(CC)c1ccc(NC(=S)Nc2ccc(C)cc2F)c(C)c1 71326065 HHINRXFCVSZGDK-UHFFFAOYSA-N 345.487 5.098 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)o2)cc1C 107751203 XLBCUXOGWRULGC-UHFFFAOYSA-N 339.822 5.778 0 40 EKAB c1ccc(-c2nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1 196628784 OETOYNSIUMVENX-UHFFFAOYSA-N 328.459 5.698 0 40 EKAB Cc1cccc(CSCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223489592 AHXZSCJKAJZSHM-SFHVURJKSA-N 341.520 5.031 0 40 EKAB CCOc1ccc2ccccc2c1/C=C1\C(=O)N(CC)c2ccccc21 409121877 YUGFUFNXZILTNC-HKWRFOASSA-N 343.426 5.146 0 40 EKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc2ccccc12 190921 RKBALQXQVFBWEB-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB Cc1cccc(C)c1Nc1c(-c2ccccc2F)nc2ccccn12 426790 BLXTWJXLSNSZAX-UHFFFAOYSA-N 331.394 5.501 0 40 EKAB CC(C)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 531477 NFEHSVWVXKBZTR-UHFFFAOYSA-N 342.489 5.297 0 40 EKAB COc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 1383041 OWIFPPZGKCBGEF-UHFFFAOYSA-N 342.851 5.098 0 40 EKAB CCc1cc2c(=S)c(-c3ccccc3Cl)c(C)oc2cc1OC 2667475 PMPJKUSHZZJKKW-UHFFFAOYSA-N 344.863 6.362 0 40 EKAB biogenic Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(Cl)ccc1Cl 2729636 YODMYFXBADCIDF-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB Cc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCCCC3)cc1 3189085 YRRZDTZWMJKAAT-UHFFFAOYSA-N 337.874 5.120 0 40 EKAB Fc1ccc(-c2nnc(-c3cc4c(s3)-c3ccccc3CC4)o2)cc1 4091933 ORCKMRFCOPLQKA-UHFFFAOYSA-N 348.402 5.370 0 40 EKAB CC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 4709669 FYAIIMSMTNKOOA-UHFFFAOYSA-N 330.309 5.200 0 40 EKAB Clc1cccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1 5819263 CTPTYLBKQXQKSS-UHFFFAOYSA-N 336.847 6.126 0 40 EKAB Cc1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)c(C)c1 7777794 DCPYSWPIAGGOGU-UHFFFAOYSA-N 347.483 5.701 0 40 EKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCCCC1 7794046 RWYOMGBPJQOPRV-UHFFFAOYSA-N 336.460 5.482 0 40 EKAB O=C(CNc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 7955304 WANCOIAUKPRDIX-UHFFFAOYSA-N 345.229 5.197 0 40 EKAB Cc1ccc(Nc2cc(C)nc(COc3ccccc3Cl)n2)cc1 10327195 NMHRRVLZFAQZSF-UHFFFAOYSA-N 339.826 5.069 0 40 EKAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13689047 UVLKBMBGNIGJMW-INIZCTEOSA-N 333.431 5.369 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1C 20460436 BEIGVYTVKSDLQR-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 22521829 MADPFLWORXYLJD-QGZVFWFLSA-N 325.452 5.052 0 40 EKAB COc1ccc(Cl)cc1NC(=O)CCS[C@@H](C)c1ccccc1 24761006 AOLRKTFPLVHOHV-ZDUSSCGKSA-N 349.883 5.172 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)Nc1cccc2ncccc12 27926111 AYSNTAOLONSHEN-UHFFFAOYSA-N 332.190 5.186 0 40 EKAB Cc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)ccc1Cl 71761807 WPINXYXIQHRYQI-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB CCCCN1CCCC[C@@H]1c1cccnc1SC1CCCCC1 72217325 RSNWTWQOPIKJQA-LJQANCHMSA-N 332.557 5.834 0 40 EKAB C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102346623 LQGXVFIKRVYZNB-ZTTFOMCMSA-N 343.474 5.533 0 40 EKAB Cc1ccc(C)c(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225657990 LOPWRGZLHIMWOX-KRWDZBQOSA-N 340.536 5.346 0 40 EKAB Cc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)c(C)c1 225841540 QDKRYYWFGODEHP-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB Oc1nc(-c2ccccc2Cl)nc2sc3c(c12)CCCCCC3 408988322 HPSWOLWMMWVMSR-UHFFFAOYSA-N 344.867 5.376 0 40 EKAB CCCC(CCC)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360900 LCHVBCXJYGFPJJ-UHFFFAOYSA-N 340.307 6.123 0 40 EKAB CCc1nc2sc3c(SC(C)C)ncnc3c2c2c1CCCC2 501933 VILQAJXMXPWFBG-UHFFFAOYSA-N 343.521 5.181 0 40 EKAB Cc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1C 2387105 HNHWSFHTKLNSPW-UHFFFAOYSA-N 342.398 5.412 0 40 EKAB O=C(CCc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1Cl 2517875 CMKCJTLZJQMDST-UHFFFAOYSA-N 333.136 5.226 0 40 EKAB O[C@@H]1C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C1 5046056 UCXPRAJDTFLIAK-JRFVFWCSSA-N 326.439 5.402 0 40 EKAB C(=C/c1cc(-c2cc(/C=C/c3ccccc3)[nH]n2)n[nH]1)\c1ccccc1 5606671 HHSWSLOQIXLUAS-PHEQNACWSA-N 338.414 5.141 0 40 EKAB O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccc(F)cc2)cs1 6331198 IOIRNMCZBKJXGA-UHFFFAOYSA-N 347.802 5.247 0 40 EKAB COc1ccc(CNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 7539902 NJPPLNIOUZMQDF-UHFFFAOYSA-N 345.801 5.038 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1C 8048944 QHEKFZIHXGZXOU-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(C3CCCC3)n2)cc1C 17071929 MJZNAVLNGMMNCN-UHFFFAOYSA-N 344.502 6.566 0 40 EKAB CC[C@@H](C)Oc1ccc(NC[C@@H](CC)Oc2ccc(C)cc2)cc1 19737529 NRDIPSRMBKGZAY-IEBWSBKVSA-N 327.468 5.442 0 40 EKAB Cc1ccccc1Nc1ncccc1C(=O)Nc1ccccc1Cl 22072399 DRMRQCBCNAUORK-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB Cc1ccc(OC(F)F)c(-c2csc(-c3ccc(O)cc3)n2)c1 22195038 SGKNEXLYGQRUFC-UHFFFAOYSA-N 333.359 5.093 0 40 EKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 28342223 GGTVEFDAPOKWMQ-KUBAVDMBSA-N 342.523 6.939 0 40 EKAB Cc1nc(Cc2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 32825897 CIPDEUVTFZNOIM-UHFFFAOYSA-N 341.288 5.473 0 40 EKAB CCc1sc(C(=O)Nc2ccccc2SC(F)F)cc1C 32986542 LYVOULATAYOBDA-UHFFFAOYSA-N 327.421 5.186 0 40 EKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nc2ccccc21 59048836 DRYSGUYJTJNHQK-UHFFFAOYSA-N 337.275 5.655 0 40 EKAB CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)cc3)cc2)CC1 100003443 JOLGXBQYTARJLD-DKXQDJALSA-N 334.547 7.770 0 40 EKAB Oc1c(-c2nc3ccccc3nc2-c2ccccc2)oc2ccccc12 104865079 FESAKGKGQZKSRT-UHFFFAOYSA-N 338.366 5.416 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219318283 CIXJYWKUVJJOJY-RTWAWAEBSA-N 339.479 5.037 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2Cl)c1 224891294 LKKQBUSHODDOJR-CQSZACIVSA-N 331.843 5.178 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c(C)c1 225759671 CLTVUTMOZSJFJS-LJQANCHMSA-N 326.509 5.296 0 40 EKAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccccc1C 226097269 HUGSBZXAJLWKEQ-UHFFFAOYSA-N 346.268 5.135 0 40 EKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2C)cc1 408578706 AKOABWLVNNSZSN-UHFFFAOYSA-N 336.460 5.242 0 40 EKAB Cc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc2c1Cl 2061000364 WWSXHJMPHLUFDD-UHFFFAOYSA-N 339.605 5.729 0 40 EKAB Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)o2)cc1 538549 CTTVYUYDWXOFLX-UHFFFAOYSA-N 347.345 5.308 0 40 EKAB Cc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1Cl 569333 SRGXBVPDRZVRGS-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(Cl)c1 2517876 JLHLWXOLKDSIAD-UHFFFAOYSA-N 333.136 5.226 0 40 EKAB Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1 2521628 OAEQTHQGPZKTQP-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C)c3C)c2c1 3953593 GIJKKPRZJYXSBD-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB C[C@]12CC[C@@]3(CS3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 4023326 NHSADEZTTCEMTD-FFWOKMQNSA-N 334.569 5.266 0 40 EKAB biogenic O[C@H]1C=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C1 5046057 UCXPRAJDTFLIAK-XWGVYQGASA-N 326.439 5.402 0 40 EKAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Cl)cc1F 18230621 LAYGJZNURNMKLJ-UHFFFAOYSA-N 340.785 5.102 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 30849175 LRQZZFPJORUBCG-UHFFFAOYSA-N 331.415 5.277 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(C)cc1 44840323 AFAODPRJPJPLRX-QZTJIDSGSA-N 345.870 5.073 0 40 EKAB Cc1ccc(CSCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 44845483 YNTUPYULTWXZLN-HXUWFJFHSA-N 341.520 5.132 0 40 EKAB COc1cccc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)oc12 80340156 RHGJTHNXESFMNR-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB O=C(Nc1ccc(Cl)cc1F)N1CCC[C@H]1/C=C/c1ccccc1 96003049 TZPXAEFRYWVYKL-DZZUKKPASA-N 344.817 5.189 0 40 EKAB Cc1nc(-c2ccccc2NC(=O)c2cc3ccccc3o2)cs1 208007954 YYCNFZTUZXEAHS-UHFFFAOYSA-N 334.400 5.117 0 40 EKAB C[C@@H]1CCCN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 216841328 IKENETOOBLKRDK-CQSZACIVSA-N 340.854 5.380 0 40 EKAB O=C(O)[C@@H](Cc1cccc2ccccc12)Oc1cccc2ccccc12 225049275 MEEHEGQLHSQYDE-JOCHJYFZSA-N 342.394 5.068 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225624057 XRJLDPBQBDNJON-OAQYLSRUSA-N 347.499 5.240 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3ccc(C)c(C)c3)CCCC2)c1 225842982 YDZXQQNAWYSXEB-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB CC(C)Cn1c(SCc2ccccc2F)nnc1-c1ccccc1 409100726 WGQHAWPJNUHTKG-UHFFFAOYSA-N 341.455 5.033 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1ccccc1C(F)(F)F 2517763 GLDWWPOWWSBXEC-UHFFFAOYSA-N 330.708 5.313 0 40 EKAB O=C1OC(c2cccc3ccccc23)=N/C1=C\c1cccc2ccccc12 2679623 ZAUCNEYVSPLYHJ-JCMHNJIXSA-N 349.389 5.338 0 40 EKAB C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 3416987 VYNCMUCZHHZJLJ-NXEZZACHSA-N 346.502 5.195 0 40 EKAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3N(C)c3ccccc32)cc1 5337448 OBCXKHUVDBAFEJ-FQEVSTJZSA-N 342.442 5.041 0 40 EKAB CC[C@H]1CCCCN1c1ncnc2cc(-c3ccc(F)cc3)sc12 5951020 SCWKABQRRIKRDB-HNNXBMFYSA-N 341.455 5.266 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 8906372 JPKKVEXRBSZLOE-SFHVURJKSA-N 345.442 5.376 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 14202321 GJDDVZLWVRSCLX-IAGOWNOFSA-N 348.471 5.293 0 40 EKAB Oc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)c(O)c1 15453797 NPFBSPJXOCXDSD-UHFFFAOYSA-N 347.801 5.633 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C)cc(C)c1 20111922 DZJMJNBLQGBAER-KRWDZBQOSA-N 333.884 5.466 0 40 EKAB CCN(Cc1ccccc1)C(=O)Nc1ccccc1SC(F)F 43552800 HOLMSOVYSAXPNI-UHFFFAOYSA-N 336.407 5.055 0 40 EKAB CCc1cccc2c(C(=O)[C@H](N[C@@H](C)CC)c3ccccc3)c[nH]c12 58166972 WHKXEEKQWUZWAX-YCRPNKLZSA-N 334.463 5.042 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1C 59351272 KJWWNSMJSDSLHM-MSOLQXFVSA-N 339.479 5.072 0 40 EKAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCCN1Cc1ccccc1 72219307 FKKROVIEYZFUHI-JOCHJYFZSA-N 349.522 5.108 0 40 EKAB CCCCN(C(=O)c1cc2sc3ccccc3c2s1)C1CC1 89954691 JCSZWHQCFXLERV-UHFFFAOYSA-N 329.490 5.521 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C)c1 225746135 BXKLUQFVUAAHQA-FQEVSTJZSA-N 335.488 5.098 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC 408533386 QSXJGHWIMYJSPP-UHFFFAOYSA-N 349.430 5.280 0 40 EKAB COc1cc(CNc2ccccc2)ccc1OCc1cccc(F)c1 409119275 RRXUWLBKWQSVKR-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCc2ccccc21 194977 TTZIPCRUXMRYBK-OAQYLSRUSA-N 345.467 5.109 0 40 EKAB Cc1ccc(-c2nc3cnccn3c2Nc2c(C)cccc2C)cc1 200574 NPVZYBVQHWEMLN-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB Cc1nc(SCc2ccccc2)c2c3c(sc2n1)CCCC3 552189 JTRCTOOANXLDNK-UHFFFAOYSA-N 326.490 5.171 0 40 EKAB CSc1nc(Sc2ccc(Cl)cc2)cc(C(F)(F)F)n1 1392727 JNZVBHYAPUCDHA-UHFFFAOYSA-N 336.791 5.022 0 40 EKAB CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC 1999255 IUWKNLFTJBHTSD-BDHVOXNPSA-N 328.496 5.347 0 40 EKAB biogenic,in-vitro CCCCOc1c(-c2ccc3ccccc3n2)cnc2ccccc12 3097974 NARAFMLAUWHDHE-UHFFFAOYSA-N 328.415 5.629 0 40 EKAB CCCCc1cc(=O)oc2cc(C)c3c(-c4ccccc4)coc3c12 4042804 LGCGCUZDYYGCCN-UHFFFAOYSA-N 332.399 5.857 0 40 EKAB biogenic CC(C)c1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 7967043 FXMJTMKFCYCLKS-UHFFFAOYSA-N 336.460 5.115 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)Nc1cc(C(F)(F)F)ccc1F 13321280 DKXNKIAAUXVLNB-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB CCCCCC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 20158361 AIKGBVNZJNTUAZ-UHFFFAOYSA-N 340.448 5.188 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc2ccccc12 20484202 MSYWYERPUCPKRU-GOSISDBHSA-N 339.822 5.289 0 40 EKAB Cc1cccc2c(Nc3ccc(C(=O)OCC(C)C)cc3)ccnc12 28296491 OPBFAWNHQDFDRO-UHFFFAOYSA-N 334.419 5.100 0 40 EKAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 48290977 MQZZKIMAGJITCQ-OAHLLOKOSA-N 348.899 5.206 0 40 EKAB CSc1ccc(CCC(=O)c2c(Cl)cccc2Cl)cc1 85651904 ANBWNKHZSZBPIW-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB Cc1ccccc1/C=C/CN1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1 96125845 FJFLDQXXCJUUBR-QTNMPDCNSA-N 335.491 5.014 0 40 EKAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21 100107528 AIBNHSXHEALWEQ-KFWWJZLASA-N 336.460 5.188 0 40 EKAB Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 102651552 LFNACLVQMNCYTI-HXUWFJFHSA-N 329.403 5.016 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1 113970477 JTJDVSVPVJCHGD-LJQANCHMSA-N 345.870 5.568 0 40 EKAB CC(C)NC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118918331 HRROJQJBNRGRQT-HPTKSSEUSA-N 347.587 5.148 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219597389 DXTZYTCNWJRBPL-NHCUHLMSSA-N 339.479 5.037 0 40 EKAB CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C)c(C)c1 224056519 VZLZCWIHUBDXNL-NRFANRHFSA-N 335.491 5.383 0 40 EKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 225539007 CVCACBKQJNTKJA-UHFFFAOYSA-N 337.463 5.234 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccccc1Cl 225658227 QUQPRODNOZRZFN-AWEZNQCLSA-N 346.927 5.383 0 40 EKAB Cc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1C 225843231 MTGLMNXSOHTCKU-UHFFFAOYSA-N 330.522 5.121 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)C1(c2ccccc2)CC1 225989454 IEUVJKQEGZELOB-UHFFFAOYSA-N 345.467 5.508 0 40 EKAB Cc1ccc(C)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248034255 RIZITHHVCAOMEF-LGLZLGMKSA-N 347.458 5.298 0 40 EKAB Cc1ccc(C)c(Nc2ncc(F)c(Nc3cc(C)ccc3C)n2)c1 310885 XCTIXWOSNPWXFO-UHFFFAOYSA-N 336.414 5.337 0 40 EKAB Clc1ccc(-c2cnc(SCc3cccc(Cl)c3)nc2)cc1 1397669 VFWNXQVBOKDWPA-UHFFFAOYSA-N 347.270 5.743 0 40 EKAB Cc1ccc(C(=O)C[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 1720522 HHMFZRAKYRLTQI-OAQYLSRUSA-N 328.411 5.235 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1cc(Cl)ccc1Cl 2517772 PWKMVQMYIXFOLI-UHFFFAOYSA-N 331.601 5.601 0 40 EKAB CCCCCC12CCC(c3ccc(Br)cc3)(CC1)CC2 3208314 AOGGMASCGAUFRQ-UHFFFAOYSA-N 335.329 6.621 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)OCc1ccccc1 3235303 FWQTUOCIUBSFNW-UHFFFAOYSA-N 335.428 5.587 0 40 EKAB CCCCc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1 3669314 URFILCOLWRJZJJ-UHFFFAOYSA-N 344.867 5.106 0 40 EKAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@@H]2C[C@]12CS2 4026563 RAGKRCXTWZPJJM-JVKOTALESA-N 332.553 5.330 0 40 EKAB biogenic Fc1ccc2nc(Nc3nc(-c4cccs4)cs3)sc2c1 4137774 DIJVHTSTZZHPEC-UHFFFAOYSA-N 333.438 5.364 0 40 EKAB CSc1ccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc1 4678883 YGIODDCBJMAQMN-UHFFFAOYSA-N 337.492 5.038 0 40 EKAB O=C(Nc1cccc2ccccc12)OC[C@H]1CCc2ccccc2C1 5539099 PSQAMMNCBSLBRW-INIZCTEOSA-N 331.415 5.193 0 40 EKAB CC(C)NC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 6763177 LWRAMXSFQFAJME-VABKMULXSA-N 327.556 5.818 0 40 EKAB CC(=O)Nc1ccc(SCc2csc(-c3ccsc3)n2)cc1 8750137 YGYKGGXXKSHWOZ-UHFFFAOYSA-N 346.502 5.122 0 40 EKAB Nc1cc(Br)ccc1Oc1ccccc1-c1ccccc1 14630962 SRCHDDAOAXHLBZ-UHFFFAOYSA-N 340.220 5.491 0 40 EKAB CSc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 20025386 QANCYALJYUXEHU-SNVBAGLBSA-N 340.275 5.206 0 40 EKAB CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCc2ccccc21 32905284 SDPPXGVOLHYDPB-HSZRJFAPSA-N 341.454 5.042 0 40 EKAB COc1cccc(OC(=O)N2c3ccccc3Sc3ccccc32)c1 40935270 UVKJOYFYOPXYID-UHFFFAOYSA-N 349.411 5.497 0 40 EKAB in-vivo CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)cccc1C(C)C 44848025 UXCQPYHDUUNABT-IBGZPJMESA-N 339.479 5.531 0 40 EKAB Clc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 59720560 QXCJZKFRHISMNV-UHFFFAOYSA-N 331.040 5.368 0 40 EKAB c1ccc(-c2nc(CN3CCC(c4cccs4)CC3)cs2)cc1 85473475 AZYWOIGOESMGHP-UHFFFAOYSA-N 340.517 5.251 0 40 EKAB C[C@H](NCc1ccnc(N2CCCCC2)c1)c1cccc2ccccc12 95407524 PCMRLGDSGVRBOK-SFHVURJKSA-N 345.490 5.076 0 40 EKAB Fc1cccc(COc2ccccc2CNc2ccc(Cl)cc2)c1 107753019 XDLVLJJHVBMTTM-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CC[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(C)cc1C 220019914 PMQKNGNSAGQMRE-IBGZPJMESA-N 329.871 5.157 0 40 EKAB CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223012466 ZYQQXHICXKLRBA-LJQANCHMSA-N 327.855 5.100 0 40 EKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(C)cc2)cc1 225496665 RTFDJAVFAJXINC-LJQANCHMSA-N 342.508 5.077 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225653157 GPLWCYBMGVKDBX-NRFANRHFSA-N 349.515 5.406 0 40 EKAB Nc1ccccc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 226349107 YHHHYPSZXYIIAG-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB CCCC(=O)N1CCCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 257295722 QZPPBBJZKWKNMS-HXUWFJFHSA-N 340.442 5.050 0 40 EKAB Cc1ccc(OC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 409175959 FZRUMHSJVBUGQH-UHFFFAOYSA-N 332.399 5.102 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 311194 YAAQAYGPZDYMSW-CYBMUJFWSA-N 331.843 5.179 0 40 EKAB O=C(N[C@H]1c2ccccc2CSc2ccccc21)OC1CCCC1 347586 LVAYCUHDBONTPY-IBGZPJMESA-N 339.460 5.051 0 40 EKAB COc1cccc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1 536803 QXLXLMSAWBRFOP-UHFFFAOYSA-N 333.435 5.050 0 40 EKAB Cc1ccc(C2=Nc3ccccc3N=C(c3ccccc3O)C2)cc1 547320 QRDHNXABVLJUCN-UHFFFAOYSA-N 326.399 5.346 0 40 EKAB CC(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 1003683 CLDCWJADLLPCPL-UHFFFAOYSA-N 338.234 5.134 0 40 EKAB Fc1ccc(-c2nnsc2SCc2ccc(Cl)cc2)cc1 3118884 QALGMFOCAYMXAM-UHFFFAOYSA-N 336.844 5.290 0 40 EKAB Cc1ccccc1-c1nn2c(-c3ccc(C(C)(C)C)cc3)nnc2s1 5026019 QNCVBUMXPCKBGE-UHFFFAOYSA-N 348.475 5.126 0 40 EKAB c1ccc(-c2nc(NCc3ccco3)c3oc4ccccc4c3n2)cc1 5277754 GLMRXKCAUCKIHJ-UHFFFAOYSA-N 341.370 5.248 0 40 EKAB C/C(Cl)=C/Cc1c(C)[nH]c2ccc(Br)cc2c1=S 5687694 KGTRTIZLVRXGHW-BAQGIRSFSA-N 342.689 5.653 0 40 EKAB Cc1ccc(-c2csc(/C=C/c3c(Cl)cccc3Cl)n2)cc1 5837551 HMFXMHZFMRHOPS-MDZDMXLPSA-N 346.282 6.596 0 40 EKAB Cc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)c(Cl)c1 14139977 YZQKKDYGWCJDAV-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB C[C@@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccc2ccccc2c1 14238931 VYSPMDDYVNEHLD-INIZCTEOSA-N 343.430 5.083 0 40 EKAB Cc1ccc2c(CC(=O)Nc3cccc(C(F)(F)F)c3)coc2c1C 16751730 YBBULSPUDUDUIX-UHFFFAOYSA-N 347.336 5.250 0 40 EKAB Cc1cc(-c2ccc(CNC3CCCCC3)o2)ccc1Br 20875729 MMHGAEBTPQCBMP-UHFFFAOYSA-N 348.284 5.440 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H]1c1ccccc1 22611621 YBVUMRLMWIROJL-SFHVURJKSA-N 348.471 5.096 0 40 EKAB CCCCCC1CCC(C2CCC(C#N)(CCCCC)CC2)CC1 34559718 HFBISKRSUBYSCV-UHFFFAOYSA-N 331.588 7.654 0 40 EKAB Cc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 36646425 DCBJQOXOUGCMIV-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB O=C(Nc1cccc(-c2cnco2)c1)c1sccc1-c1ccccc1 40152700 BWQUPFXUUBSIID-UHFFFAOYSA-N 346.411 5.322 0 40 EKAB Clc1cc(Cl)cc(OCc2ccc(Br)cc2)c1 70133856 QSBRDEVELCSULP-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CC1(C)CC[C@H](NC(=O)c2sccc2C2CC2)c2ccccc21 84673348 NEXWHGPLFRCZFI-KRWDZBQOSA-N 325.477 5.168 0 40 EKAB CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl 106980120 PRLXNZNMCBZGHV-UHFFFAOYSA-N 348.632 5.797 0 40 EKAB Cc1ccc(C)c(C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 222852982 CJJOBKOKERUBJU-JOCHJYFZSA-N 329.443 5.131 0 40 EKAB CC[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 390823271 XNEKFEKEESDMOV-MRXNPFEDSA-N 337.463 5.350 0 40 EKAB Cc1cc(OCc2ccccc2)ccc1C(=O)CCc1ccccc1 575356953 NZOIQBBLTBGNBD-UHFFFAOYSA-N 330.427 5.390 0 40 EKAB CSc1ccccc1CSc1ccc(Br)cc1 1397951 XKWIVFKQIMCNJM-UHFFFAOYSA-N 325.296 5.463 0 40 EKAB Cc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1937370 JPGYSZMVQULCQY-LFIBNONCSA-N 343.426 5.226 0 40 EKAB Clc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 4336645 XPFDBXDITJUQMV-NRFANRHFSA-N 332.834 5.696 0 40 EKAB Cc1ccc(-c2cnn3c(NC4CCCC4)cc(C(C)(C)C)nc23)cc1 5345708 XGKIREOAJZOZEE-UHFFFAOYSA-N 348.494 5.357 0 40 EKAB O=C(OCc1csc(-c2ccccc2)n1)c1cccc2ccccc12 5737566 BWBHIZMNAQMNRI-UHFFFAOYSA-N 345.423 5.320 0 40 EKAB Cc1nn2c(nc(Oc3ccc(Cl)cc3)c3ccccc32)c1Cl 7777835 TZBPLDNSMAJLSI-UHFFFAOYSA-N 344.201 5.290 0 40 EKAB c1ccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)o2)cc1 12547146 GPBZFRUZYIVHOS-UHFFFAOYSA-N 336.394 6.157 0 40 EKAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(Cl)c1C 12975014 RZZQBFMZYJQDQM-UHFFFAOYSA-N 336.822 5.271 0 40 EKAB Cc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 13774728 ZATUIZMWRVJBCQ-OAHLLOKOSA-N 326.509 5.340 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1 15010953 VJNGWHUQVSRKNR-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB C[C@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)Oc1ccccc1 15108431 PXJLOFQBIHQXIG-OAHLLOKOSA-N 345.398 5.306 0 40 EKAB Cc1cccc(C)c1NC(=O)CS[C@@H](C)c1ccccc1Cl 40161381 JLXUZIIBXYTOLM-AWEZNQCLSA-N 333.884 5.390 0 40 EKAB Clc1c(Br)cc(-c2ccccc2)cc1Br 70462181 DXHCSUVLDTUORI-UHFFFAOYSA-N 346.449 5.532 0 40 EKAB C[C@H](Nc1cc(-c2ccc(C(C)(C)C)cc2)ncn1)c1ccccc1 82161302 DABUFLSZGUWGQY-INIZCTEOSA-N 331.463 5.614 0 40 EKAB CC[C@H](C(=O)N(Cc1ccoc1)Cc1cccs1)c1ccccc1 90612106 SCCMEBPTLUYQQI-IBGZPJMESA-N 339.460 5.064 0 40 EKAB CC(C)(C)Oc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C 95915476 AFOKEWGZNMAUBQ-UHFFFAOYSA-N 341.333 6.221 0 40 EKAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21OCCS1 118914913 JIFTUOBNCNREQG-OYFJFRIHSA-N 348.552 5.058 0 40 EKAB O=C(CCCSc1ccc(Cl)cc1)N1CCCc2ccccc21 222689340 BUERKTDAHJOVFC-UHFFFAOYSA-N 345.895 5.192 0 40 EKAB CCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCCCC1 225710873 DGQDDGNCCHTIRZ-UHFFFAOYSA-N 345.483 5.076 0 40 EKAB Cc1cc(C)c2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1 226295140 RDGOPGAQNWHZCS-UHFFFAOYSA-N 329.399 5.691 0 40 EKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCc2ccccc2)n1 409385422 LOCUXBNPSGGDBJ-UHFFFAOYSA-N 326.852 5.398 0 40 EKAB O=C(CCc1ccccc1)c1cccc(OCc2cccc(F)c2)c1 575357789 XRZLJKRYTULCHE-UHFFFAOYSA-N 334.390 5.220 0 40 EKAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc2ccccc12 127352 LNZLAYCBJNDONV-UHFFFAOYSA-N 348.405 5.206 0 40 EKAB Cc1cc(C)c2nc([C@H](C)Sc3ccc(Cl)cc3)oc(=O)c2c1 2380930 VGGWJZXVOZDSOD-LBPRGKRZSA-N 345.851 5.312 0 40 EKAB CCCC1CCC(c2nc(-c3ccc(Br)cc3)no2)CC1 3022820 FBVRSYOEIPRYBU-UHFFFAOYSA-N 349.272 5.573 0 40 EKAB Clc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1 3339892 SXMZJRHVNMVEAA-UHFFFAOYSA-N 345.833 5.562 0 40 EKAB CC[S@](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 5328632 MWPCQURWMQHOBA-OAHLLOKOSA-N 326.459 5.081 0 40 EKAB CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(Cl)cc1Cl 6043074 WGWGFWKWXUCCSM-FROQITRMSA-N 328.283 5.339 0 40 EKAB CSc1ccccc1NC(=O)CCSc1ccc(Cl)cc1 6454239 ONHUBYRAHINHGE-UHFFFAOYSA-N 337.897 5.183 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 9141468 BPQJRYOOQBEJTQ-CQSZACIVSA-N 337.850 6.259 0 40 EKAB CCCCC1CCC(C(=O)Nc2cc(-c3ccc(C)cc3)no2)CC1 12062491 WDMRLGBVCMJGGI-UHFFFAOYSA-N 340.467 5.585 0 40 EKAB C1CCC2(CC1)CCCN(CCN1CCCC3(CCCCC3)C1)C2 19363410 KVJUHOIXUVOHTN-UHFFFAOYSA-N 332.576 5.079 0 40 EKAB CCOCCOc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1 19738434 WDLFVGYCCBFSGS-UHFFFAOYSA-N 340.250 5.021 0 40 EKAB Cc1ccccc1[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 19932814 KGHKVSJKNHWDQR-QFIPXVFZSA-N 349.861 5.097 0 40 EKAB CCOC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 22066891 BFYVSGCRUDETNO-JYQWTDEISA-N 332.528 6.695 0 40 EKAB in-vitro O=C(CSc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 32692325 JTELOKBEEMNKGP-UHFFFAOYSA-N 343.451 5.724 0 40 EKAB CCc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1 98086869 MMQYBPQLFVVDSL-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB CC(C)C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 222836097 JZVSINRUZLKYOD-JOCHJYFZSA-N 347.458 5.122 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1 223006221 OBAGMZXZGZUOJE-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB CC(C)c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 225542981 VBCYMJOXECXNTO-UHFFFAOYSA-N 346.927 5.383 0 40 EKAB COc1ccccc1-c1cccc2c1P(C(C)(C)C)[C@H](C(C)C)O2 1857775484 AXYSTPMEONMQAD-CGHJUBPDSA-N 342.419 5.642 0 40 EKAB COc1ccc(-c2c(C)c3c(C)c(Cl)c(C)cc3oc2=O)cc1 57805 MDEWDSYGLAQLDW-UHFFFAOYSA-N 328.795 5.047 0 40 EKAB biogenic Cc1c(Cl)cccc1NC(=O)CC(c1ccccc1)c1ccccc1 363032 UMYKGGGBTICSMG-UHFFFAOYSA-N 349.861 5.809 0 40 EKAB COc1cccc(-c2coc3c2c(C)cc2oc(=O)c(C)c(C)c23)c1 488935 JKYUOTQIOPAHCS-UHFFFAOYSA-N 334.371 5.140 0 40 EKAB biogenic O=C(c1ccccc1)c1oc2ccccc2c1CSc1ccccc1 1388632 UDUGLFWRHVENHZ-UHFFFAOYSA-N 344.435 5.956 0 40 EKAB CC(C)CNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773036 LVPVHNSCRNZOMD-UHFFFAOYSA-N 346.261 5.672 0 40 EKAB CC(C)[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccccc1 2340506 YMZHXYMUXUDIGT-FGZHOGPDSA-N 335.491 5.474 0 40 EKAB COc1ccc(-c2csc(Nc3ccc(C)c(C)c3)n2)cc1F 2493552 JFMBNHIUTOBXLG-UHFFFAOYSA-N 328.412 5.318 0 40 EKAB Cc1cccc(SCc2c(-c3ccccc3)nn(C)c2Cl)c1 3047453 XSMAFQZLKCFHQB-UHFFFAOYSA-N 328.868 5.341 0 40 EKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc(Cl)sc1Cl 3202764 WFPHZPOZNCSHSL-UHFFFAOYSA-N 348.254 5.559 0 40 EKAB CN1c2ccc3ccccc3c2C(C)(C)[C@@]12C=Cc1cc(O)ccc1O2 3999629 LFTVLSDFPHCWHA-QHCPKHFHSA-N 343.426 5.075 0 40 EKAB biogenic CCCC[C@H](CC)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 4156157 PFCAIMKBPMFISK-LBPRGKRZSA-N 336.888 5.618 0 40 EKAB CCCCOCN(C[C@@H](CC)CCCC)C[C@H](CC)CCCC 4416563 RWDHUSBRENEAAI-OYRHEFFESA-N 327.597 6.495 0 40 EKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(C)cc23)cc1 4970039 FSXOFRNBPLRWJO-UHFFFAOYSA-N 349.437 5.858 0 40 EKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 5861891 LLEJGVUUODKTBE-VIFPVBQESA-N 344.625 5.053 0 40 EKAB CCc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(C)cc1)=N2 6844181 QXQGLPQRVCYPLH-UHFFFAOYSA-N 345.471 5.053 0 40 EKAB Cc1ccc(Sc2ncnc3oc(-c4ccccc4)cc23)c(C)c1 6922428 NNSCNYWOCOMDLO-UHFFFAOYSA-N 332.428 5.658 0 40 EKAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1 8345743 LYLDRTYIMFROMC-NSHDSACASA-N 345.229 5.033 0 40 EKAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 8412978 RRPABRBHCANZME-UHFFFAOYSA-N 348.837 5.091 0 40 EKAB CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1OC 10412641 ZVTKUTXJJUJEDB-UHFFFAOYSA-N 344.430 5.059 0 40 EKAB Clc1ccc(CSc2nnc(-c3cccc(Cl)c3)o2)cc1 12178662 PZYRGCRIZSGTMY-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB Cc1cccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)c1C 15867440 IKMRPAHWOAHCEO-UHFFFAOYSA-N 337.394 5.274 0 40 EKAB CCCCCCOc1ccc(NCCOc2c(C)cccc2C)cc1 19738138 MVYFMGMDJRYBEF-UHFFFAOYSA-N 341.495 5.753 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)c1 20456654 POVJLBRVQDEYGL-INIZCTEOSA-N 343.426 5.694 0 40 EKAB O=C(NCc1ccccc1)/C(=C/c1ccccc1)c1ccc(Cl)cc1 48289971 OBJFVUXOLSRCEP-RCCKNPSSSA-N 347.845 5.197 0 40 EKAB Cc1nc(C)c(COC(=O)c2ccc(-c3ccccc3Cl)o2)s1 65562907 HJXLOPLYNNKZBF-UHFFFAOYSA-N 347.823 5.030 0 40 EKAB CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@H](O)CC(=O)O 71404717 LINWKSYGMQNQNZ-MTQWCTHYSA-N 342.564 5.897 0 40 EKAB Cc1c(Cl)cccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 98072798 GACLMDQGYVEWOU-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB CC1(C)NC[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1 118916205 XNXXTZVYIJSAOG-DVWPCDKSSA-N 345.571 5.514 0 40 EKAB Oc1nc(-c2cccc3ccccc23)nc2sc3c(c12)CCCCC3 408990977 PGKIHOJTKRDZBQ-UHFFFAOYSA-N 346.455 5.486 0 40 EKAB Cc1ccc(-c2ccc(OC(F)(F)F)cc2Br)cc1 953048766 XTLMSVFLAOONLM-UHFFFAOYSA-N 331.131 5.323 0 40 EKAB O=C(N[C@@H]1c2ccccc2CSc2ccccc21)OC1CCCC1 347588 LVAYCUHDBONTPY-LJQANCHMSA-N 339.460 5.051 0 40 EKAB COc1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1 1002614 XGMCYKRHLKWXRB-UHFFFAOYSA-N 349.415 5.102 0 40 EKAB CCCC(CNC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1593326 KYFDMSJJYPFFFP-UHFFFAOYSA-N 343.470 5.203 0 40 EKAB Cc1cc(C)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(C)c1 2273278 WSJQOBNXSVDWLW-UHFFFAOYSA-N 338.454 6.336 0 40 EKAB Cc1ccccc1-c1nc2nc3ccccc3nc2n1C1CCCCC1 2405187 PTUAGUMUVMTWQP-UHFFFAOYSA-N 342.446 5.460 0 40 EKAB c1ccc(CC2(Cc3ccccc3)c3ccccc3-c3ccccc32)cc1 3029007 GYHKWJHSDMKOCL-UHFFFAOYSA-N 346.473 6.439 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)COc2cc(C)cc(C)c2C)cc1 4833525 VJWUBLMHFYAFKR-HNNXBMFYSA-N 325.452 5.143 0 40 EKAB Cc1ccccc1NC(=O)c1cc2sccc2n1Cc1ccccc1 4970888 JBAJMSCINCIZDW-UHFFFAOYSA-N 346.455 5.312 0 40 EKAB CCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 7261725 JTWJIDBWWHLBKD-UHFFFAOYSA-N 338.278 5.462 0 40 EKAB C[C@@H]1C(c2ccccc2)=C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 13301685 UZUCCSMLMFNSDR-WVQWTBLQSA-N 339.482 6.134 0 40 EKAB FC(F)(F)c1cc(Cl)ccc1NC(=S)Nc1ccccc1 13933261 XQPRMGQQNKYJKY-UHFFFAOYSA-N 330.762 5.168 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1 14923166 AZUOJYHOAWIVLM-WTNAPCKOSA-N 336.475 5.971 0 40 EKAB biogenic CCc1ccccc1O[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 20456411 ZPFVQVGGUKJKIM-MRXNPFEDSA-N 325.452 5.087 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1Cl 28266697 HZEBGSWWVUWTPQ-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CCCc1ccc(-c2c(-c3ccc(OCC)cc3O)n[nH]c2C)cc1 28628414 QESQRZBUWFJXDV-UHFFFAOYSA-N 336.435 5.109 0 40 EKAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 32904338 YWOCGBXLVQVJGS-UHFFFAOYSA-N 335.407 5.102 0 40 EKAB Nc1cc(-c2nc3cccc(Cc4ccccc4)c3o2)ccc1Cl 57352785 VNMMFTREFDPKPO-UHFFFAOYSA-N 334.806 5.321 0 40 EKAB Clc1ccc(Cc2nc(Cl)cc(-c3ccc(Cl)cc3)n2)cc1 78401368 OCTMGKLHYJMLGX-UHFFFAOYSA-N 349.648 5.695 0 40 EKAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1csc(-c2ccco2)n1 84129165 BLANLBYBGYFYDR-HNNXBMFYSA-N 342.464 5.108 0 40 EKAB CCCc1ccc(-c2ccc(-c3cc(F)cc(F)c3)c(F)c2)cc1 85224720 ZNAHDORXAYLSFU-UHFFFAOYSA-N 326.361 6.390 0 40 EKAB Cc1nn(-c2ccccc2)c(Cl)c1-c1nc(-c2ccccc2)c(C)[nH]1 95468305 XNHSCGIYJZFINL-UHFFFAOYSA-N 348.837 5.200 0 40 EKAB CCCCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OC 103248329 RXMGHTWZUUVKQB-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB S=C(Nc1ccc(Cl)cc1)NC1(c2cccs2)CCCC1 225845254 SFGUALDQVGWYHF-UHFFFAOYSA-N 336.913 5.157 0 40 EKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(Cl)c1 408588248 VFSZWRAQZHMYRT-UHFFFAOYSA-N 338.234 5.343 0 40 EKAB CC[C@H](C(=O)N[C@H](C)Cc1csc2ccccc12)c1ccccc1 575621733 SBVCVSWYDAEEMQ-QAPCUYQASA-N 337.488 5.142 0 40 EKAB Cc1cc(C)cc(CSCC(=O)Nc2cccc(Cl)c2C)c1 67512 WTWLOSBHFIRIQZ-UHFFFAOYSA-N 333.884 5.137 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 1388004 COWPHDAJXMKEPM-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1ccc([C@H](CC(=O)c2ccco2)SCc2ccco2)cc1 1463368 VWBHTUDMYLKLOB-IBGZPJMESA-N 326.417 5.429 0 40 EKAB c1ccc(C2=C(c3ccccc3)[C@@H](c3ccccc3)c3ccccc32)cc1 1627081 URBISKZYAXNRPC-VWLOTQADSA-N 344.457 6.791 0 40 EKAB Cl/C(=C(/I)c1ccccc1)c1ccccc1 1712125 AYGQIZWHXPPPHA-BUHFOSPRSA-N 340.591 5.186 0 40 EKAB Oc1ccc([C@H]2CCc3ccccc32)cc1[C@@H]1CCc2ccccc21 2572225 DCUACKYSEIGHJH-FGZHOGPDSA-N 326.439 5.548 0 40 EKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)N1c1ccccc1 4114184 DSBILKPAQVKIQT-AVIJNYRZSA-N 347.458 5.268 0 40 EKAB Cc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1Cl 5560321 FBTXMRTVHYHEMC-UHFFFAOYSA-N 349.908 5.379 0 40 EKAB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccccc3Cl)S2)c1 6366667 IUMDVBHPFBUPIY-MHWRWJLKSA-N 342.851 5.039 0 40 EKAB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 6778616 IINZGIZCGJHLGM-UHFFFAOYSA-N 336.460 5.244 0 40 EKAB C[C@@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 6896562 AATAWSBQBBKLKG-BTYIYWSLSA-N 346.405 5.028 0 40 EKAB Cc1ccc(Sc2cc(-c3ccccc3)c3ccccc3n2)cc1C 6912598 NBBHLTYXVSGUJJ-UHFFFAOYSA-N 341.479 6.670 0 40 EKAB COc1cccc(NC(=O)c2ccccc2SCCC(C)C)c1 13944171 MSSMNMNUWWEBSX-UHFFFAOYSA-N 329.465 5.086 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 14914714 XSUOIUAOVWCCHX-ZDUSSCGKSA-N 333.884 5.583 0 40 EKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1ccccc1 15019489 NGUGSXAVVUWBQA-UHFFFAOYSA-N 329.424 5.346 0 40 EKAB Brc1cccc(-c2csc(COc3ccccc3)n2)c1 15043206 CPAIHEFYXWAVLK-UHFFFAOYSA-N 346.249 5.152 0 40 EKAB Fc1ccc(COc2cccc(CNC3CCCCCC3)c2)cc1 16399568 YLFWDIAULHEUKK-UHFFFAOYSA-N 327.443 5.217 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(F)c1 19074389 WZVIQNSWWMJHRV-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C 30848842 JNNBQSROSVXZOG-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccc(-c2nnc([C@H](C)Sc3cc(F)ccc3F)o2)cc1 39982486 AWEVDIFGZMRSMK-NSHDSACASA-N 332.375 5.177 0 40 EKAB CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C(\S)c1ccc(C)cc1 109132407 GYLTWYKQKDILGG-VXPUYCOJSA-N 340.419 5.194 0 40 EKAB O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl 197340052 CZKFIEHJHQJONL-LJQANCHMSA-N 329.226 5.742 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)cc1 223006287 OBAGMZXZGZUOJE-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255423 WEECLGVJDUNZKE-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c(C)c1 225806009 FYHOYNJORGACOX-UHFFFAOYSA-N 340.536 5.346 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 254414944 NVRAZDDCGFQUMS-SGMGOOAPSA-N 342.266 5.901 0 40 EKAB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCS(=O)(=O)O 299817336 WOQHFSNWXZHNKW-DOFZRALJSA-N 340.529 5.630 0 40 EKAB in-vitro O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1 190405 ZGUCTIDDGQIYHD-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1cc(Cl)cc(Cl)c1 2517774 CAGYXCOBJQARDA-UHFFFAOYSA-N 331.601 5.601 0 40 EKAB Nc1ccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1 3091832 HQSSPSRVSMZGOW-UHFFFAOYSA-N 338.410 5.401 0 40 EKAB O=C(Nc1cccc2ccccc12)Nc1n[nH]c2cc(Cl)ccc12 5532698 CRWZHVMQBSCDOH-UHFFFAOYSA-N 336.782 5.014 0 40 EKAB Fc1ccc(COc2ccccc2CNC2CCCCCCC2)cc1 7522961 MDVYUEPGNSWXFH-UHFFFAOYSA-N 341.470 5.607 0 40 EKAB CCC[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 12655927 QJNGVAWIYOINJU-PXQOBWRBSA-N 346.555 5.375 0 40 EKAB biogenic Cc1ccc([C@H](NC(=O)Cc2cc(C)ccc2C)c2ccccc2)cc1 20047834 CTGUMEIAKQFRFH-XMMPIXPASA-N 343.470 5.060 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC 38773004 TZPJKGDJPYGPDK-QGZVFWFLSA-N 349.883 5.166 0 40 EKAB Cc1cc(C)c2nc(N[C@H](C)c3cccc4ccccc34)cc(C)c2c1 41127851 SKFQPYWTNJZKNG-GOSISDBHSA-N 340.470 6.486 0 40 EKAB CC(C)CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1 44086946 OOAGGWQIWCMFAG-UHFFFAOYSA-N 326.440 5.427 0 40 EKAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)C1(c2ccccc2)CC1 71800772 DJHNSHPTSOYPPZ-UHFFFAOYSA-N 341.454 5.044 0 40 EKAB O[C@@H](c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 109783165 CTTBXGCWPRXIGO-LJQANCHMSA-N 339.232 5.198 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 113935047 JYIHXANLCVGSEI-LSDHHAIUSA-N 347.911 5.315 0 40 EKAB CC(C)(C)C(=O)Nc1ccccc1SCc1ccc(Cl)cc1 224139076 OTUIFMXJSFEAHS-UHFFFAOYSA-N 333.884 5.617 0 40 EKAB Cc1ccccc1Oc1ccc(NC(=S)NC2CCCCC2)cc1 408549630 VYPOFNDCGINNQI-UHFFFAOYSA-N 340.492 5.406 0 40 EKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1 409386480 UJIHQFGBQRYFKC-UHFFFAOYSA-N 344.842 5.537 0 40 EKAB Cc1ccc(-c2nc3scc(-c4ccc(C)cc4)c3c(=O)o2)cc1 552310 YAUZJIINSPURQE-UHFFFAOYSA-N 333.412 5.200 0 40 EKAB Fc1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1 1300673 JMGNBTRCWMOZOZ-UHFFFAOYSA-N 333.341 5.319 0 40 EKAB Cc1nc(-c2ccc(Cl)cc2)sc1-c1ccc2ccccc2n1 1395208 WMIDVHYAWAHSTL-UHFFFAOYSA-N 336.847 5.987 0 40 EKAB CC(C)COP(=O)(OCC(C)C)C(=O)Nc1ccc(Cl)cc1 1594225 PBPSCXYTOYODHI-UHFFFAOYSA-N 347.779 5.410 0 40 EKAB C(=Cc1ccccc1)=C(c1ccccc1)c1ccc(-c2ccccc2)cc1 3137045 LYNDNCUBWZVXSQ-UHFFFAOYSA-N 344.457 7.098 0 40 EKAB CCCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 5557420 DSLNISSPAAKCMO-UHFFFAOYSA-N 336.483 5.214 0 40 EKAB CCCC(=O)[C@H]1[C@@H](c2ccccc2)CC(=O)[C@H](CC)[C@@H]1c1ccccc1 5707119 UXCXYEFGTCWSBA-QEFHDYNCSA-N 348.486 5.538 0 40 EKAB CC(C)c1ccc(NC(=O)Nc2cc3cc(Cl)ccc3n2C)cc1 6025978 NNBPUYIILXIGJH-UHFFFAOYSA-N 341.842 5.599 0 40 EKAB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1 6747470 LZLOSCZFUSZHDE-UHFFFAOYSA-N 347.458 5.420 0 40 EKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C1CCCC1 8187095 HSOZIVGKKNEPPZ-UHFFFAOYSA-N 340.810 5.277 0 40 EKAB CC(C)C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 9141045 WJSSCAHZLQXNHH-UHFFFAOYSA-N 349.217 5.396 0 40 EKAB CCc1ccc(CCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10275962 HZAFVVIWMSPDOL-KRWDZBQOSA-N 337.507 5.357 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(C)C)cc1 11637187 ZHEVAVQBHVEIHV-FQEVSTJZSA-N 325.452 5.223 0 40 EKAB CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)cc3)nc21 13961125 QGQZBRHTGVOKMX-UHFFFAOYSA-N 345.393 5.153 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc(C)c1Cl 14398749 WSSNLNZIWGBCIM-OAHLLOKOSA-N 345.870 5.486 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc2ncsc2c1 15316325 RTWDBHRGRIZQDV-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB CC[C@H](C)Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 19737700 UXUVXDOIZIAHJJ-SFHVURJKSA-N 347.458 6.268 0 40 EKAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3cccs3)co2)c(C)c1 29975218 MJWASLFFQVEDMY-SFHVURJKSA-N 338.476 5.357 0 40 EKAB Cc1cccc(OCc2ccc(C(=O)Oc3cc(C)cc(C)c3)cc2)c1 33721359 OCLCPQUGIYNMRJ-UHFFFAOYSA-N 346.426 5.410 0 40 EKAB Cc1c(-c2ccc(Cl)cc2)nc2sc(C3CCCCC3)nn12 40963759 JFVVRWBPJWYYCG-UHFFFAOYSA-N 331.872 5.467 0 40 EKAB CCc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 44844776 LTMPXBJVXLLHHK-UHFFFAOYSA-N 332.403 5.685 0 40 EKAB CC1(C)CC2=Nc3ccccc3N[C@@H](/C=C/c3ccccc3)C2=C(O)C1 103521921 ISSFRFQZURTZEU-HYSAVQALSA-N 344.458 5.899 0 40 EKAB Clc1cccc2c(-c3nc4ccc(-n5cccc5)cc4o3)cccc12 216741803 UTUCVTADJYAAKK-UHFFFAOYSA-N 344.801 6.092 0 40 EKAB CCCN(c1cc(Cl)ccc1Oc1ccccc1)[C@@H](CC)C(=O)O 225005543 VUMARMXOZGKUBC-INIZCTEOSA-N 347.842 5.212 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225744046 UYSKMWAMZKYXFA-JXFKEZNVSA-N 335.488 5.178 0 40 EKAB CCOc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 185987 AUBCMESPMKLRID-UHFFFAOYSA-N 345.851 5.514 0 40 EKAB COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(C)cc2)cc1 427569 XIWGYMDJFNAANK-UHFFFAOYSA-N 343.430 5.370 0 40 EKAB CSc1nc(C)cc(SCc2ccc(Cl)cc2Cl)n1 1675807 RPGWXIHGMXCTIT-UHFFFAOYSA-N 331.293 5.106 0 40 EKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCC1 2738915 NKAHYTGJKQKLSD-UHFFFAOYSA-N 341.263 5.246 0 40 EKAB CC(C)(C)C(=O)CSc1nc(-c2cccs2)nc2ccccc12 4601666 MKYRDWNUBHNPTK-UHFFFAOYSA-N 342.489 5.066 0 40 EKAB CCCCN(CCCC)C[C@@H](O)c1ccc(-c2ccccc2)cc1 5973443 ADIOZUAFIPJRTL-JOCHJYFZSA-N 325.496 5.289 0 40 EKAB Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1Cl 16312894 QGNJRCDFSCIJRY-JOCHJYFZSA-N 346.861 6.004 0 40 EKAB Cc1cccc(-n2ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)c1 20632809 LWVRFDCFDOOUBU-IBGZPJMESA-N 344.458 5.217 0 40 EKAB Clc1ccccc1/C=C(\c1ccccc1)c1nc2ccccc2[nH]1 28467417 SFWJZIAKPQPKDS-SAPNQHFASA-N 330.818 5.805 0 40 EKAB Clc1ccc(Cl)c(NCc2coc(-c3cccs3)n2)c1 32753214 OQGMFIFQGDCVLD-UHFFFAOYSA-N 325.220 5.322 0 40 EKAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 78458156 JWIMJEZQSANCDB-IRXDYDNUSA-N 347.458 5.047 0 40 EKAB Cc1cc(C)c2oc(-c3ccc(OCc4ccccc4C)cc3)nc2c1 226295147 UDTROXBNQUFABU-UHFFFAOYSA-N 343.426 5.999 0 40 EKAB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1ccccc1 1463136 OBNCXZIUMMLFJY-JOCHJYFZSA-N 339.394 5.181 0 40 EKAB biogenic CCCCN(CCCC)C(=O)C1c2ccccc2Oc2ccccc21 2370564 HZHNTURQOIXJEK-UHFFFAOYSA-N 337.463 5.353 0 40 EKAB CCCC[C@H](c1cccc(O)c1)[C@H](CCCC)c1cccc(O)c1 5572820 TUIUBFPFLXPNFD-FGZHOGPDSA-N 326.480 6.346 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 6648469 WFMQTPABMBDIFX-ZHACJKMWSA-N 347.380 5.789 0 40 EKAB CCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1OCC 8180603 FTHZNUQDNXLGPU-UHFFFAOYSA-N 341.451 5.133 0 40 EKAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1coc2ccc3ccccc3c12 8534472 WPPSHAYIVQBAOQ-OAHLLOKOSA-N 341.410 5.106 0 40 EKAB Cc1cc(C)c(NC(=O)c2cccc(Cl)c2Cl)c(Cl)c1 14669475 ZUUVGBARGWMUDB-UHFFFAOYSA-N 328.626 5.516 0 40 EKAB S=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H]2CCCC[C@H]21 16385088 CEWKKBDWODDHHZ-XHDPSFHLSA-N 343.323 5.345 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 64982955 YZLIXPHPJIRRQP-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Clc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)c(Cl)c1 73634692 HRDRUDYNMWQFPF-UHFFFAOYSA-N 332.017 5.844 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCC(=O)O 96662615 YUFFSWGQGVEMMI-XSCOUVMYSA-N 330.512 6.773 0 40 EKAB CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OCC 106972034 RBUVAKKQUYAHLC-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB C[C@@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 216790263 GHABUJYCKRGMHW-HUUCEWRRSA-N 338.426 5.112 0 40 EKAB CC(C)(C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 222932738 FVMIUDQTSMVKEL-UHFFFAOYSA-N 337.463 5.200 0 40 EKAB Fc1cccc(COc2ccccc2CNc2ccccc2Cl)c1 409184469 XIPOIOGSNOQJED-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB Cc1ccn2c(Nc3ccccc3C)c(-c3ccc(C)s3)nc2c1 427575 XRKYNJYNERDCNE-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB Clc1ccc(Oc2cc3ccccc3nc2-c2ccccc2)cc1 1382787 NDDKTECLQMCLQK-UHFFFAOYSA-N 331.802 6.348 0 40 EKAB C[C@@H](CN1CCCCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698617 VMKUTHOGNDZCNC-UWJYYQICSA-N 349.946 5.230 0 40 EKAB Cc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 2727884 RDNJSMLARVEGND-INIZCTEOSA-N 348.924 5.093 0 40 EKAB Cc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 3052879 FKAWBFQKAZTLRN-UHFFFAOYSA-N 348.833 5.294 0 40 EKAB Clc1ccc(Sc2cc3ccccc3nc2-c2ccccc2)cc1 4050721 FEAQIFXDNDHRDR-UHFFFAOYSA-N 347.870 6.706 0 40 EKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 4180181 DKAVEEAUKPXLGQ-UHFFFAOYSA-N 349.817 5.172 0 40 EKAB CC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 4958388 NJPYMWZOTVJRPI-UHFFFAOYSA-N 346.495 5.691 0 40 EKAB Cc1c(Cl)cccc1-c1ccc(CN[C@@H](C)c2ccccc2)o1 7538824 MSBCVVHJQIGSOD-HNNXBMFYSA-N 325.839 5.759 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccccc1 7669075 JEPIBWQYYMCFGR-MRXNPFEDSA-N 325.452 5.339 0 40 EKAB O=C(/C=C/c1ccccc1Cl)N(c1ccccn1)C1CCCCC1 12602810 IWEYTCCBFHSREP-BUHFOSPRSA-N 340.854 5.114 0 40 EKAB Clc1c(CN2CCC[C@@H]2c2cccs2)sc2ccccc12 14077701 VVWLNYLFXAHGML-CYBMUJFWSA-N 333.909 5.953 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1C 20036034 GRGHVNWRMVWCLB-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CCCc2ccccc21 24832621 YGSPRKOZAOLYPE-OAQYLSRUSA-N 335.491 5.992 0 40 EKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 33574465 WZVJNCWHLRKCJC-UHFFFAOYSA-N 345.876 5.439 0 40 EKAB Clc1cccc(CSCc2nccn2Cc2ccccc2)c1 63128858 DPGIQIQKLLCECY-UHFFFAOYSA-N 328.868 5.018 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)N1c1ccccc1 103108157 DSBILKPAQVKIQT-FNVCAUGXSA-N 347.458 5.268 0 40 EKAB CCN(CC)c1ccc(-c2nc3ccccc3o2)cc1Br 216884762 RGEXQONBEQHNEY-UHFFFAOYSA-N 345.240 5.104 0 40 EKAB O=C(C1CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 69265 MOJNQMNHVSRESF-UHFFFAOYSA-N 335.350 5.245 0 40 EKAB CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1N 2755433 KSQULKFBQVRLJV-UHFFFAOYSA-N 337.444 5.230 0 40 EKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cccs2)cc1 4616321 PPTLOEYXQWYQQI-INIZCTEOSA-N 335.472 5.166 0 40 EKAB Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 5961408 FWOQTZSTBRJRMJ-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB C[C@@H]1CCCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)C1 10541060 LJKCEQOQTJENJI-NISQSXRWSA-N 339.866 5.139 0 40 EKAB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)sc1=N 19894559 YLOQEHRPSMZAQF-UHFFFAOYSA-N 342.467 5.567 0 40 EKAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 40995097 ACJATESPKCPIAZ-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB c1ccc(CC[C@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 48303678 NEDVEHXSCZROHQ-GOSISDBHSA-N 338.476 5.000 0 40 EKAB Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2ccc2ccccc32)cc1 102435034 VQCCAGYUEUMNSZ-QFIPXVFZSA-N 339.438 6.362 0 40 EKAB CC[C@@H](C(=O)Nc1ccccc1-c1csc(C)n1)c1ccccc1 208007625 UTLCNDSLENSBLI-MRXNPFEDSA-N 336.460 5.251 0 40 EKAB CC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 216350590 GVYJGKPQCVOYHH-OAQYLSRUSA-N 337.507 5.493 0 40 EKAB Cc1ccc(CCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 223078491 LQTVURGCVZPIAK-GOSISDBHSA-N 337.507 5.411 0 40 EKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1 225498514 GSDNGGSKIRYTJE-LJQANCHMSA-N 343.854 5.015 0 40 EKAB CCCO[C@](C)(CC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225732560 HEXVXHSWWPNXRQ-OXQOHEQNSA-N 335.488 5.015 0 40 EKAB Cc1ccc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2c1 226294978 OEDXKXITOGLBFJ-UHFFFAOYSA-N 349.817 6.036 0 40 EKAB CCCCCC[C@@H](CCCC)Cc1ccc(Br)cc1 1776010834 BYWBQBBXDFWDPQ-MRXNPFEDSA-N 325.334 6.768 0 40 EKAB Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1C 1006342 WLWLXCYQCISYDR-UHFFFAOYSA-N 329.443 5.464 0 40 EKAB C[C@H](NCC[C@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 2110173 PLOSVZGCTGIPMD-CVDCTZTESA-N 337.507 5.254 0 40 EKAB biogenic CSc1ccccc1CCC(=O)c1cc(Cl)ccc1Cl 2516633 QNQWZBJPURGBKZ-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1CC(=O)O 2650678 CHQYMCDYDYXAHP-UHFFFAOYSA-N 346.213 5.144 0 40 EKAB CC[C@](C)(CCC(O)(c1ccccc1)c1ccccc1)c1ccccc1 3125064 ROQCRYGAICSMOD-XMMPIXPASA-N 344.498 6.071 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12 4459626 LDWOCVLKNFPNQW-ONTZPFSDSA-N 345.486 6.107 0 40 EKAB CCCc1sc(Nc2ccccc2F)nc1-c1ccc(OC)cc1 5952284 MKZHKDZPTDBLJN-UHFFFAOYSA-N 342.439 5.654 0 40 EKAB Cc1ccc(OCCCCn2c(-c3ccco3)nc3ccccc32)cc1 7343591 SUKRZXRVKLAUOT-UHFFFAOYSA-N 346.430 5.464 0 40 EKAB Cc1ccc(C)c(NC(=S)NCc2ccc(Cl)cc2Cl)c1 7529891 RGYVNLPGAXMVKL-UHFFFAOYSA-N 339.291 5.097 0 40 EKAB CN(C(=O)Nc1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 11009226 MSUKRDIEEVCLLE-HXUWFJFHSA-N 334.394 5.079 0 40 EKAB C[C@@H]1CCc2c(sc3nc4c(c(-c5ccccc5)c23)C[C@H](C)CC4)C1 12633496 HVZGDFGBSDZBGU-HUUCEWRRSA-N 347.527 6.213 0 40 EKAB Nc1cc(Br)ccc1Oc1ccc(Cl)c2ccccc12 14631043 GRURLDGCDDNEDD-UHFFFAOYSA-N 348.627 5.630 0 40 EKAB CC(C)OCc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 23434140 RVPZTBGLTUXZNQ-KRWDZBQOSA-N 347.458 5.256 0 40 EKAB Cc1ccccc1C(=O)N(Cc1cccs1)c1ccc(F)cc1 27584528 GCENVYNCXPZTMI-UHFFFAOYSA-N 325.408 5.043 0 40 EKAB Cc1c(C(=O)N(Cc2cccs2)c2ccccn2)oc2ccccc12 27742750 CFROBVPIFNIWOO-UHFFFAOYSA-N 348.427 5.045 0 40 EKAB CCCN(C(=O)Nc1ccc(C)cc1F)[C@@H]1CCc2ccccc21 58305035 HRVAZMATTANIAN-LJQANCHMSA-N 326.415 5.066 0 40 EKAB O=C(Nc1ccccc1-c1cccs1)c1ccc(-c2cnco2)cc1 70038911 GMBMYRMDKOIGTE-UHFFFAOYSA-N 346.411 5.322 0 40 EKAB CC(C)N(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(C)C 95948148 RJULQKGKAHVUNX-UHFFFAOYSA-N 339.357 5.224 0 40 EKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1 107039498 YYTDTHZMGXWPON-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)c1 113934981 JSNGOPVVFZTUKY-CABCVRRESA-N 347.911 5.315 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(OC)cc1 113959036 HWCXIMWOBIVLMJ-GOSISDBHSA-N 343.492 5.077 0 40 EKAB CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)cc1 225709885 QTWMGBXWOZXDFT-IBGZPJMESA-N 342.508 5.140 0 40 EKAB CC(C)(C)NC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408588070 XBUDGUKWXKMTHJ-UHFFFAOYSA-N 342.552 5.239 0 40 EKAB CCOC(=O)c1cnc2ccccc2c1Nc1cccc(Cl)c1C 145489 DKVPDVJTIJZRBH-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB S=c1c2ccccc2c(=S)n(-c2ccccc2)n1-c1ccccc1 1590634 RACYKTCVMVALML-UHFFFAOYSA-N 346.480 5.880 0 40 EKAB O=C(C[C@H](SCc1ccccc1)c1ccccc1)c1ccccc1 2046501 ZSWKQXBGCDLDBC-QFIPXVFZSA-N 332.468 5.934 0 40 EKAB Cc1cc(-c2csc(Nc3ccc(F)cc3F)n2)ccc1Cl 2571116 FWLKRESMIRUEHD-UHFFFAOYSA-N 336.794 5.794 0 40 EKAB CSc1ccc(Cl)c(C(=O)Nc2nc3c(C)cccc3s2)c1 2661016 JXOGLEUHKMPMQZ-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB Cc1ccccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4560668 BADHIMLQGZHDBC-UHFFFAOYSA-N 345.486 5.715 0 40 EKAB C[C@@H](CC(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1 4976477 FNVPWJCKNPMUII-SFHVURJKSA-N 330.427 5.132 0 40 EKAB CCCCn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O 5010014 ZMQRIDNZWFMPNS-UHFFFAOYSA-N 334.444 5.078 0 40 EKAB c1ccc(CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1 5174440 CXQSLKWZDBFZBC-UHFFFAOYSA-N 342.467 5.832 0 40 EKAB c1ccc(-c2c(-c3ccco3)nc3ccccc3c2-c2ccccc2)cc1 5589914 OOEZCWALHOMDQA-UHFFFAOYSA-N 347.417 6.829 0 40 EKAB COc1ccc(Cl)cc1NC(=S)Nc1ccccc1C(C)C 6239448 WBSWXLNLIQQXQR-UHFFFAOYSA-N 334.872 5.281 0 40 EKAB CSc1ccc(Cl)c(C(=O)N[C@@H]2CCSc3ccccc32)c1 7980974 AEYMZOIVMFBMBP-OAHLLOKOSA-N 349.908 5.029 0 40 EKAB Cc1c(-c2nc3ccccc3nc2-c2ccccc2)[nH]c2ccccc12 16266595 LOKHYWNIJQTEDT-UHFFFAOYSA-N 335.410 5.754 0 40 EKAB c1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716495 NBNWBPSBPMRDTE-RPWUZVMVSA-N 337.422 5.610 0 40 EKAB Nc1cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)c(Cl)cc1Cl 73634776 QVCBUJRZGMXJHP-UHFFFAOYSA-N 347.032 5.426 0 40 EKAB CCOC1(OCC)[C@@H](C)[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C 104121301 CDDIJTDHKUJMOI-VVIORFSUSA-N 338.491 5.609 0 40 EKAB Clc1cccc(Cl)c1-c1nc2cc(-c3ccccc3)ccc2o1 216868816 AQDYQOVNPJSZMT-UHFFFAOYSA-N 340.209 6.469 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225324529 FDFJDFDWUVMLCC-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB CC[C@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)cc1 225663304 YWRFCRSKCCRDAE-FQEVSTJZSA-N 339.479 5.317 0 40 EKAB CC[C@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1C 225668965 YFIUKLUBMNCXPH-FQEVSTJZSA-N 339.479 5.317 0 40 EKAB Brc1ccc(CSc2cccc3ccccc23)cc1 409182964 PSIWOEVTMULAAA-UHFFFAOYSA-N 329.262 5.895 0 40 EKAB CC(C)n1cc(CN2CCC[C@H](c3nccs3)C2)c2ccccc21 2037850045 KWKVLJQFNJWQAY-INIZCTEOSA-N 339.508 5.058 0 40 EKAB COc1ccccc1[C@@H]1CC(c2ccccc2)=Nc2ccccc2S1 97128 REJYYNKPBRGDAK-QFIPXVFZSA-N 345.467 6.053 0 40 EKAB Cc1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 581903 WHWREEIKUHYVJT-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB O=C1c2ccccc2CC[C@@H]1[C@@H](Sc1ccccc1)c1ccco1 1448908 DNKBZUOPOLZAOQ-GHTZIAJQSA-N 334.440 5.558 0 40 EKAB c1cc(Nc2ccc3c(c2)OCO3)c2cc(C3CCCCC3)ccc2n1 1590483 NBIBPEOLNHYSHE-UHFFFAOYSA-N 346.430 5.755 0 40 EKAB CC(C)(C)P(CCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C 2572419 FJILYPCZXWVDMD-UHFFFAOYSA-N 332.493 7.534 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc2cnccc12 3225390 NJRWOLYFTYVFQP-FNORWQNLSA-N 343.213 5.194 0 40 EKAB CCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 4515292 QADOWMIMAYYOAV-UHFFFAOYSA-N 339.822 5.512 0 40 EKAB CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OCC 5820544 AZXVZUBIFYQWJK-FIIODCPWSA-N 326.521 5.558 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1Oc1ccccc1 6340028 BSVBKOIIZSYCBZ-CCEZHUSRSA-N 349.817 5.784 0 40 EKAB CCc1ccccc1NC(=O)c1sc2cccc(F)c2c1COC 6789428 HTJLIUVQHYINEQ-UHFFFAOYSA-N 343.423 5.002 0 40 EKAB Cc1ccc(NC(=O)c2oc3ccccc3c2C)c(Br)c1 7265311 FNNQKPGAWHZRLP-UHFFFAOYSA-N 344.208 5.064 0 40 EKAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc2ccccc2c1 14424693 YLFAGUDSKURHIS-ZDUSSCGKSA-N 343.348 5.350 0 40 EKAB CC[C@H](C)c1ccccc1O[C@H](C)CNc1ccccc1C(C)C 19738334 RNQMXCHCUOTDIA-ZWKOTPCHSA-N 325.496 6.203 0 40 EKAB Cc1ccc([C@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 30874064 SDRZMCHQVBZCHE-HXUWFJFHSA-N 335.834 5.168 0 40 EKAB C(=C/c1nc2ccccc2o1)\c1ccc(OCc2cscn2)cc1 32906645 SRUKOUFXVWODDD-JXMROGBWSA-N 334.400 5.034 0 40 EKAB Cc1ccc2nc(Nc3nc4ccc(Cl)cc4s3)oc2c1C 57352945 NUGSXQGIQCZXBN-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB CC(C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118924494 YUQRKSFLRITHTG-BOPJXXHASA-N 346.555 5.782 0 40 EKAB CC(C)C[Sn](CC(C)C)(CC(C)C)C(C)(C)C 195775716 UMMSJHKXSCZTPC-UHFFFAOYSA-N 347.175 6.203 0 40 EKAB COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)oc1ccccc12 223386896 SBSCLKGZWXADAI-JLHYYAGUSA-N 343.382 5.247 0 40 EKAB Cc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 409114553 IGXHEPCTULBEMQ-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc(N2CSC(=S)N(c3ccc(C)cc3C)C2)c(C)c1 85690 AESRZCAQBGLAAW-UHFFFAOYSA-N 342.533 5.180 0 40 EKAB O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1Cl 1402828 OMHXOEQGSODYII-UHFFFAOYSA-N 346.666 5.378 0 40 EKAB Cc1ccc2nc(-c3ccccc3O)c(Nc3ccc(Cl)cc3)n2c1 3909919 PTIGFSQIJRYWGL-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB C/C(=N/O)C1=CC[C@@H]2[C@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@@H]3CC[C@]12C 4041107 QPVTWJVYONZWBL-QUBLCJPTSA-N 344.499 5.246 0 40 EKAB biogenic C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1Cc1sc(N)nc12 4138713 LDZFZRSSOBEODZ-HZWIUQJVSA-N 330.541 5.172 0 40 EKAB Cc1ccccc1N1N=C(/C=C/c2ccccc2)C[C@H]1c1ccccc1 4322628 KFCXXEMEAFBTHW-JOPBRCQMSA-N 338.454 6.016 0 40 EKAB C1=C[C@H]2[C@H]1C1(Cc3ccccc3)N=NC2(Cc2ccccc2)[C@H]2C=C[C@@H]21 5179784 OVPRGOYKNGAKIF-NBQZKVBHSA-N 338.454 5.033 0 40 EKAB CC[C@H](C)Oc1ccc(NC[C@@H](C)Oc2cc(C)ccc2C)cc1 19737526 QXSFDLSXXFLQRL-ZWKOTPCHSA-N 327.468 5.360 0 40 EKAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1 78458922 LDAUMFJXDAUSRY-YLJYHZDGSA-N 339.479 5.153 0 40 EKAB C[C@H](NC(=O)CCc1ccc(Cl)s1)c1cccc2ccccc12 84656361 FXHKYXIWRKCXMJ-ZDUSSCGKSA-N 343.879 5.365 0 40 EKAB Brc1cncc(Oc2ccc(-c3ccccc3)cc2)c1 169266773 DTBMRAZPGVPOGQ-UHFFFAOYSA-N 326.193 5.303 0 40 EKAB C[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(C(C)(C)C)cc1 225406202 KORLUFIRXVZCJX-LBPRGKRZSA-N 348.462 5.310 0 40 EKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(C)C)cc1)C(C)C 225759826 ZTBMSYHUOJKWDP-HXUWFJFHSA-N 340.536 5.802 0 40 EKAB CC(C)C[C@H](N)COc1ccc(F)cc1Oc1ccc(Cl)cc1 257229449 FYEHPNPHEAWFHN-HNNXBMFYSA-N 337.822 5.024 0 40 EKAB Cc1c(Cl)cccc1NC(=O)C1[C@H]2CCC=CCCC=CCC[C@H]12 1559660759 BJQLPOYHBJQLJD-NBJLRHFZSA-N 343.898 5.916 0 40 EKAB Fc1ccccc1-c1nc2nc3ccccc3nc2n1C1CCCCC1 536502 ASRCCHSQBACWEW-UHFFFAOYSA-N 346.409 5.291 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 1462200 ZRPDBCQVXGNQNU-FNORWQNLSA-N 326.610 5.299 0 40 EKAB Clc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1Cl 1580735 HCDVIQXPGHCUKY-UHFFFAOYSA-N 341.197 5.864 0 40 EKAB in-vitro Cc1cc2occ(CC(=O)NCC3CCCCC3)c2cc1C(C)C 2661943 ACPLPHYVQWZTCK-UHFFFAOYSA-N 327.468 5.104 0 40 EKAB Cc1cccc(Oc2ccc3[nH]c(C(=O)NCCC(C)C)cc3c2)c1 4702620 XZNNHGZPTWCQNQ-UHFFFAOYSA-N 336.435 5.045 0 40 EKAB Nc1cc(Cl)c(Cc2cc(Cl)c(N)cc2Cl)cc1Cl 6091075 XIBDNYHTUNJEKH-UHFFFAOYSA-N 336.049 5.055 0 40 EKAB CCc1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 6125606 KGYXYYSCNSSLPB-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB Cc1csc(Sc2nc(-c3cccs3)nc3ccccc23)n1 7780252 JZYVNCKIQLODGL-UHFFFAOYSA-N 341.486 5.274 0 40 EKAB CCOc1ccc2ccccc2c1CNC12CC3CC(CC(C3)C1)C2 8325059 MYIBFOZNFJSTAY-UHFFFAOYSA-N 335.491 5.297 0 40 EKAB CCOc1ccc2ccccc2c1CNC1C2CC3CC(C2)CC1C3 8325061 JUGLIJKLPXTQNU-UHFFFAOYSA-N 335.491 5.153 0 40 EKAB Cc1ccccc1-c1nn2cc(-c3ccc(Cl)cc3)nc2s1 19923001 YJOJHBKILUYFON-UHFFFAOYSA-N 325.824 5.087 0 40 EKAB CCCCC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 20411232 NHDWYRSSYDUKGY-UHFFFAOYSA-N 336.435 5.747 0 40 EKAB Cc1cc(C)cc(Oc2nc3ccccc3nc2N2CCCCC2)c1 45900706 ZCAFXOPOLZZNRC-UHFFFAOYSA-N 333.435 5.029 0 40 EKAB C=Cc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1 45925306 ISPHCKJJTUWGQL-UHFFFAOYSA-N 349.484 5.393 0 40 EKAB Cc1ccc2c(CN[C@@H](c3cccs3)C(C)(C)C)cc(=O)oc2c1 52838394 MLZZNZCFNALKEC-IBGZPJMESA-N 341.476 5.040 0 40 EKAB Cc1[nH]c(-c2ccc(-c3ccccc3F)s2)nc1-c1ccccc1 95468325 GRNDDVOTBNYPJB-UHFFFAOYSA-N 334.419 5.920 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C)cc(C)c1 113970367 RVBZBFWJVHGXKR-SFHVURJKSA-N 331.843 5.061 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(C)c2C)c1 224136415 AJNFLWKJWJLAEU-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB Cc1cc2oc(-c3ccc(Br)cc3)cc(=O)c2cc1Cl 57782 UGRKPKDGOWBWIA-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB biogenic,in-vitro Cc1ccc(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)cc1C 218067 GCOIDMINKUXCEW-UHFFFAOYSA-N 346.474 5.295 0 40 EKAB Cc1cccc2nc(-c3cccs3)c(Nc3ccc(C(C)C)cc3)n12 427515 VHRHPJYDGLCKTC-UHFFFAOYSA-N 347.487 6.238 0 40 EKAB Clc1ccc(SCc2cc(-c3ccc(Cl)cc3)on2)cc1 1394157 RIZGTPRWNGDXQA-UHFFFAOYSA-N 336.243 5.941 0 40 EKAB c1ccc(-c2csc(Cc3nc(-c4ccccc4)cs3)n2)cc1 1514567 HJPKMEJQIHKOBK-UHFFFAOYSA-N 334.469 5.524 0 40 EKAB CC[C@@]1(C)C[C@@](CCN(Cc2ccccc2)C(C)=O)(C(C)C)CCO1 2109260 LVLYBTXEWVKWEA-VXKWHMMOSA-N 345.527 5.047 0 40 EKAB biogenic CCCCCc1ccc(-c2ccc(-c3noc(CCCC)n3)cc2)cc1 3022788 TYCIEMZJHIIKFB-UHFFFAOYSA-N 348.490 6.479 0 40 EKAB O=C(Nc1cc(F)ccc1F)c1cccc(Oc2ccccc2)c1 3302166 YGCPEHQLZKADQU-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB Cc1ccc2[nH]c3nc(SCCCC4CCCCC4)nnc3c2c1 4130117 SFZQOYXJJSHGQZ-UHFFFAOYSA-N 340.496 5.267 0 40 EKAB Cc1ccc(CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 4268545 DXLKHDWRDYQZPX-UHFFFAOYSA-N 346.499 5.623 0 40 EKAB CC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 6692524 VLXLJJZSTMSYKO-QHCPKHFHSA-N 340.426 5.305 0 40 EKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 8041517 VYFOENWAIXOECD-GOSISDBHSA-N 345.442 5.376 0 40 EKAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1 8345745 LYLDRTYIMFROMC-LLVKDONJSA-N 345.229 5.033 0 40 EKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 13582335 ONOPJXJPROYWHN-UHFFFAOYSA-N 347.414 5.438 0 40 EKAB CC(C)(C)c1ccc(S(=O)(=O)Cc2ccc3ccccc3c2)cc1 14608559 WELIAANJVLZEQE-UHFFFAOYSA-N 338.472 5.111 0 40 EKAB Cc1cc(C)cc(CS[C@H](C)C(=O)Nc2c(C)cccc2C)c1 15494626 BKLKBGXCGSWIOR-QGZVFWFLSA-N 327.493 5.181 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1C(F)(F)F 51354235 BWMZIYBWHQCAMJ-UHFFFAOYSA-N 348.246 5.368 0 40 EKAB O=C(Nc1cccc2ccccc12)N(Cc1ccco1)C1CCCC1 71810525 DSNOTGMJFFXQAS-UHFFFAOYSA-N 334.419 5.410 0 40 EKAB Cc1ccc(-n2c(-c3ccc(N)cc3)nc3ccccc32)cc1Cl 73740050 ZJNMZWJKVBNTSO-UHFFFAOYSA-N 333.822 5.237 0 40 EKAB CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)cc2Cl)c1 222962105 CVRLARSFRISNMF-UHFFFAOYSA-N 336.262 5.048 0 40 EKAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 223726177 KEMLJZNXVJUHAU-QHCPKHFHSA-N 343.470 5.440 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](C)C(C)C)cc2)cc1 225186265 ZEDMCHRUXRYBPI-MRXNPFEDSA-N 327.493 5.062 0 40 EKAB O=C(Oc1ccc(C2SCCS2)cc1)c1ccccc1Cl 31538 DAUHLVDAQLTCOY-UHFFFAOYSA-N 336.865 5.038 0 40 EKAB COc1ccc2[nH]c(SCc3ccc(C(C)(C)C)cc3)nc2c1 273332 OUXJOASRGMYGSX-UHFFFAOYSA-N 326.465 5.161 0 40 EKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccccc2[C@@H](C)CC)c1 569068 HHRIIDQCLYKQCO-HOTGVXAUSA-N 325.452 5.630 0 40 EKAB NC1(C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 1669491 YVAHDQMZACOZHL-UHFFFAOYSA-N 345.445 5.682 0 40 EKAB Cc1ccc(-c2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)cc1 3130560 FJKULESPNUWXLB-UHFFFAOYSA-N 336.458 5.821 0 40 EKAB Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2cccc(C)n12 3911595 KUXCNQQOFNKEQG-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB Cc1ccc(-c2ccc(SCc3cccc(Cl)c3)nn2)cc1 4356100 OSXKKZWAFYQBGL-UHFFFAOYSA-N 326.852 5.398 0 40 EKAB CC(C)CC[C@@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccco1 5323194 NNSCSQWLZUNLPB-AEFFLSMTSA-N 333.903 6.194 0 40 EKAB CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8227222 IWEKDRHRFCHYAW-UHFFFAOYSA-N 344.669 5.335 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Cl)cc1 21130206 WQNCYAURNPMLHS-UONOGXRCSA-N 330.859 5.293 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C)c(Cl)c1 22515076 HAZRLMYZPZQUDI-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB Cc1nn2c(/C=C/C=C/c3ccccc3)ccnc2c1-c1ccccc1 30874275 UKJMHDBZVVJDKO-NVXXTVOZSA-N 337.426 5.431 0 40 EKAB Cc1cc(NCCC(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40217029 PGDPQBXRSJZFAI-UHFFFAOYSA-N 342.874 5.125 0 40 EKAB CC1(C)Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 40486323 SOFYLRVNHUOJES-MRXNPFEDSA-N 347.245 5.273 0 40 EKAB COc1ccc(-c2cnc(SC(C)C)n2-c2ccccc2C)cc1 44086725 FYZIDSBGDPCZJL-UHFFFAOYSA-N 338.476 5.357 0 40 EKAB Cc1c(F)cccc1NC(=S)Nc1cc(Cl)cc(Cl)c1 71326018 OZGNBUITBJLBJN-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCCCCC[C@@]1(C)Nc2ccccc2-c2nc(-c3ccccc3)nn21 97105488 RCUUSBFWKWPCNH-QFIPXVFZSA-N 346.478 5.681 0 40 EKAB C[C@H]1CC2=Nc3nc4ccccc4n3[C@H](c3ccc(F)cc3)C2=C(O)C1 102602536 LIZRWFOXUYWHSR-FKIZINRSSA-N 347.393 5.093 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2SC(C)C)cc1C 223474643 HFVUEDOGEZPOSL-KRWDZBQOSA-N 341.520 5.603 0 40 EKAB CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O 299888821 YUZXOJOCNGKDNI-ZRJVNYMKSA-N 344.495 5.520 0 40 EKAB CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OCC 1570003637 SNXPWYFWAZVIAU-NKXWDUBDSA-N 332.528 6.695 0 40 EKAB FC(F)(F)c1cc(Nc2ccccc2Oc2ccccc2)ccn1 4051442 JJNZKLJLJNDRCO-UHFFFAOYSA-N 330.309 5.636 0 40 EKAB CCC1(CC)O[C@@H](c2ccc(Cl)c(Cl)c2)Nc2ccccc21 4183972 QQQCWJDXSRHEKL-KRWDZBQOSA-N 336.262 6.150 0 40 EKAB CCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 4676219 GOPYJDXLJDDDIR-UHFFFAOYSA-N 333.431 5.880 0 40 EKAB Cc1ccc(C)c(COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 6863654 INQVLVPQGAOFPD-UHFFFAOYSA-N 334.390 5.253 0 40 EKAB 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0 40 EKAB CC[C@@H](C(=O)N[C@@H](c1ccsc1)c1cccs1)c1ccccc1 822551374 IMUPUZWSIGHLCS-AEFFLSMTSA-N 341.501 5.209 0 40 EKAB Cc1cccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1 245021 TZFYUPKNQHJMPJ-UHFFFAOYSA-N 325.415 5.657 0 40 EKAB Cc1cccc(NC(=O)c2cc3sc4ccccc4c3s2)c1C 520158 LPEMCGFFALLDFY-UHFFFAOYSA-N 337.469 5.985 0 40 EKAB CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2c1OC(C)(C)C2 2184124 HKZOKCVWRUVYBI-UHFFFAOYSA-N 337.507 5.330 0 40 EKAB CCn1c2ccccc2c2cc(CNCCc3ccccc3)ccc21 2464259 ASUHHAGHSBWMRS-UHFFFAOYSA-N 328.459 5.147 0 40 EKAB CC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2540767 CXTQTYOWLRLXIL-NRFANRHFSA-N 348.442 5.288 0 40 EKAB in-vitro Cc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3ccc(C)cn23)cc1 3911619 AQQGXOKBDNGUGF-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB COc1ccc([C@@H](c2ccc(Cl)cc2)c2ccc(C)o2)cc1OC 4860626 DZKQXBCFMAHJOK-HXUWFJFHSA-N 342.822 5.439 0 40 EKAB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 5532606 ABVIZSWNHPJQHN-SOFGYWHQSA-N 340.637 5.607 0 40 EKAB CSc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1 5559201 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CCCCCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1 15835410 PCXCIUGPZKRCBZ-UHFFFAOYSA-N 334.419 5.056 0 40 EKAB C(=C1\SC(c2ccccc2)=N[C@H]1c1ccccc1)\c1ccccc1 17105154 OGVIFLIVZKLLAY-LDETYFQJSA-N 327.452 5.962 0 40 EKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccs1 17382177 FOYCDMJDYQJTAZ-HXUWFJFHSA-N 331.444 5.152 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C)c(Cl)c1 20454368 KQOJXZVCDFCBFE-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB Cc1ccc(COc2ccc3ccccc3c2CNCC(C)C)cc1 20874196 ADQGAWFVQVBWRB-UHFFFAOYSA-N 333.475 5.473 0 40 EKAB CCCCc1ccc(Nc2cc(C)nc3ccc(OCC)cc23)cc1 41127732 GJUIBYBZOUKIEW-UHFFFAOYSA-N 334.463 6.028 0 40 EKAB Cc1noc(C)c1C(=O)N(c1ccc(Nc2ccccc2)cc1)C(C)C 60045268 POTZUOBDVABBCD-UHFFFAOYSA-N 349.434 5.090 0 40 EKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)NC1CCCCC1 75283427 NJDUIELAXWJLIZ-UHFFFAOYSA-N 344.842 5.587 0 40 EKAB CN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(c1ccccc1)c1ccccc1 102478915 WCMOUGVFBQNLJW-YYWHXJBOSA-N 333.475 5.061 0 40 EKAB C1=C[C@@H](c2ccccc2)N2[C@H](C(c3ccccc3)=N1)[C@H]2c1ccccc1 104145786 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CC[C@H](C(=O)c1c(C)cc(Br)cc1C)c1ccccc1 575362449 MVJLMZLWTDKZEG-INIZCTEOSA-N 331.253 5.442 0 40 EKAB COc1ccc(NC(=O)C2C[C@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)cc1 58656 WCIHNRBFLFNLEP-IRXDYDNUSA-N 345.527 5.758 0 40 EKAB O=C([C@@H](Sc1ccccc1)c1ccccc1)n1cnc2ccccc21 204755 YXWKBHVLCUEKOU-FQEVSTJZSA-N 344.439 5.210 0 40 EKAB Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)c(Br)c1 483626 DQPKXTWIMGFGMK-UHFFFAOYSA-N 332.241 5.133 0 40 EKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)o1 484107 SZDRPQFXPIPZSX-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB c1ccc(SCCc2ccc3cc(-c4ccccc4)cn3c2)cc1 985292 OZNPKEPPWJFSQI-UHFFFAOYSA-N 329.468 5.941 0 40 EKAB COc1cc(Nc2ccnc3cc(Cl)ccc23)c2ncccc2c1 1672337 CVMOVJMJKRGMIQ-UHFFFAOYSA-N 335.794 5.189 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2ccc(C)s2)nc2cnccn12 3896550 GXLBHXAKHXLSID-UHFFFAOYSA-N 348.475 5.381 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 4054423 YNVQSWVVWOFDRF-UHFFFAOYSA-N 344.458 5.222 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3)o2)cc1 5033075 XFNLOBFYIYODST-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB CSc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3s2)cc1 12568303 VEVRGSHDUGFXKX-UHFFFAOYSA-N 345.464 5.035 0 40 EKAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1cc2ccccc2o1 12734602 LCTZZFPKNYCCNA-SNVBAGLBSA-N 334.202 5.231 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709248 MZSMSQSQQBPIDA-MRXNPFEDSA-N 333.431 5.117 0 40 EKAB CCCCN(CCCC)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 13751239 CAAOAVSUOXGGOE-UHFFFAOYSA-N 347.506 6.150 0 40 EKAB CC1=CCC2=C(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H](C(C)C)C[C@@H]12 15264301 CGKOFSIWAPIHCH-HKBOAZHASA-N 340.463 5.266 0 40 EKAB biogenic C(=C1\SC(c2ccccc2)=N[C@@H]1c1ccccc1)\c1ccccc1 17105152 OGVIFLIVZKLLAY-OYQOIYBLSA-N 327.452 5.962 0 40 EKAB S=C(Nc1cccc2ccccc12)Nc1cccc2ncccc12 18193785 PMZOWKBPGFRJFT-UHFFFAOYSA-N 329.428 5.197 0 40 EKAB Cc1cc(C)c(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c(C)c1 40095763 JSAGXUZOYPQVDL-HNNXBMFYSA-N 330.859 5.490 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1 71761883 JLSXKYDWBFAMKT-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2ccc2ccccc32)cc1 102435030 VQCCAGYUEUMNSZ-JOCHJYFZSA-N 339.438 6.362 0 40 EKAB CCCCC[C@H](CN(C)C)[C@H](O)/C=C\c1ccc(Cl)c(Cl)c1 104194312 WCYCZNSVADQWAW-ZKQVRJAKSA-N 344.326 5.126 0 40 EKAB CC1=C(/C=C\C(C)=C/C=C\c2ccc(C(=O)O)cc2)C(C)(C)CCC1 111380529 YRNAHKPMDMVFMV-GXQGVMNESA-N 336.475 6.427 0 40 EKAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225838793 SJYZMBFTGBQAEF-INIZCTEOSA-N 337.463 5.095 0 40 EKAB Nc1cccc(Cl)c1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 226359152 NFFFUYJOPFAJLM-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB S=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCCCC1 409204447 GQALYPVOJCETIN-UHFFFAOYSA-N 345.895 5.080 0 40 EKAB Cc1cc2nc(-c3ccc(Cl)nc3)n(Cc3ccccc3)c2cc1C 1383360 MSPLYQZNUCUMFX-UHFFFAOYSA-N 347.849 5.417 0 40 EKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)n1 3236345 OOZDCTBWXYNRBX-UHFFFAOYSA-N 347.462 5.039 0 40 EKAB O[C@H](CN1CCCCC1)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 4537494 QJUBRQLMPOZVNB-OLEQZPESSA-N 341.882 5.030 0 40 EKAB CC(C)[C@H]1CC(C)(C)[C@H]2C[C@H]3O[C@@H](C(C)C)CC(C)(C)[C@@H]3C[C@@H]2O1 5395759 YJDWFPSBWFUGFD-WMDIELAYSA-N 336.560 5.692 0 40 EKAB CC(C)(C)c1ccc(C(=O)c2cc(C(C)(C)C)ccc2C(=O)O)cc1 5553352 FCGSOWRQUPAARO-UHFFFAOYSA-N 338.447 5.211 0 40 EKAB CCc1ccc(N(C(=O)C2CCC2)c2nc3ccccc3s2)cc1 5558892 NIVKYYLRIWASAL-UHFFFAOYSA-N 336.460 5.324 0 40 EKAB CCCCC[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 6172790 MBWANCKRNUYEQV-OAHLLOKOSA-N 345.556 6.122 0 40 EKAB Cc1ccccc1NC(=O)Cc1nc(-c2cc3ccccc3o2)cs1 7844956 WNLJOKZPRAYGKH-UHFFFAOYSA-N 348.427 5.046 0 40 EKAB Cc1c(Cl)ccc2c(C(=O)OC(C)C)cc(-c3cccs3)nc12 8473643 ZDCHJUATWGGCCK-UHFFFAOYSA-N 345.851 5.490 0 40 EKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 14397728 GMEIOCYBROKYOO-GFCCVEGCSA-N 349.833 5.183 0 40 EKAB CC1(C)CCCC(C)(C)N1C(=S)Nc1ccc(Cl)c(Cl)c1 16578082 MDRIQSMSHBMLLZ-UHFFFAOYSA-N 345.339 5.733 0 40 EKAB CC(=O)Nc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1 27794667 CUHRASCPQDKFIK-UHFFFAOYSA-N 328.824 5.089 0 40 EKAB O=C(Nc1ccc(-c2ccccc2)nc1Cl)c1ccccc1Cl 40816652 QBEMGFTVYVBNRC-UHFFFAOYSA-N 343.213 5.308 0 40 EKAB Cc1cc(Cl)ccc1NC(=S)Nc1cccc2c1CCCC2 71326226 LSJOUFKGCGGVGH-UHFFFAOYSA-N 330.884 5.336 0 40 EKAB CCCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 409103460 BPHXPGPCMGRWDH-UHFFFAOYSA-N 343.883 5.301 0 40 EKAB Cc1ccccc1[C@H]1CC(c2ccccc2O)=Nc2ccccc2S1 481225 BTIHCIYTSMCUKJ-JOCHJYFZSA-N 345.467 6.059 0 40 EKAB CCCC(=O)Nc1ccc(-c2nc3cc([C@@H](C)CC)ccc3o2)cc1 514846 DEJDPEAJCYBFIW-AWEZNQCLSA-N 336.435 5.747 0 40 EKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](O)c1ccccc1 1715306 LGWPZWRZPMNUGB-IBGZPJMESA-N 340.315 5.029 0 40 EKAB Fc1ccc(C2=NN=C(c3ccccc3)C=C(c3ccccc3)C2)cc1 5946678 WRNSPJFTECLZRZ-UHFFFAOYSA-N 340.401 5.506 0 40 EKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCCCC1 5949216 SPTYFLPMINRWBJ-UHFFFAOYSA-N 336.460 5.482 0 40 EKAB Clc1cccc(/C=C/c2nc(-c3cccs3)cs2)c1Cl 6320865 PLAZVBNYGRBVKP-VOTSOKGWSA-N 338.284 6.349 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1C 13930885 PFBIOCXQASUSIH-AWEZNQCLSA-N 332.900 5.313 0 40 EKAB CCOc1ccccc1C[C@@H]1C(=O)N(c2ccccc2)c2ccccc21 15018287 LHRFKSCHVPGGPE-FQEVSTJZSA-N 343.426 5.090 0 40 EKAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)C1(C)C 16138640 INODLQKPSMXPAZ-PMACEKPBSA-N 347.458 5.095 0 40 EKAB CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 17198483 LYKUJTVMRFXAAS-GOSISDBHSA-N 331.868 5.242 0 40 EKAB Cc1nc(NC(=O)c2ccccc2Cl)sc1-c1ccccc1 31968410 LJENJQNTCNTAHB-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB Cc1cccc(NC2=NC(=O)/C(=C\c3ccccc3Cl)S2)c1C 35647358 RMGWQXAEUQRDET-MHWRWJLKSA-N 342.851 5.039 0 40 EKAB Cc1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)n1C(C)C 60158397 RAKMOGIWMCOROJ-UHFFFAOYSA-N 342.336 5.096 0 40 EKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC/C=C/C(=O)OC 64220094 NPKXDTONVDDGOH-CXSAKVLUSA-N 342.523 6.637 0 40 EKAB CN(C(=O)c1cc(Cl)sc1Cl)c1ccc2ccccc2c1 69612409 RPRCTDQBSMCMKP-UHFFFAOYSA-N 336.243 5.485 0 40 EKAB Oc1ccc([C@@H]2CCc3ccccc32)cc1[C@H]1CCc2ccccc21 95869899 DCUACKYSEIGHJH-VXKWHMMOSA-N 326.439 5.548 0 40 EKAB Cc1cccc([C@H](C)[S@@](=O)[C@H](C)c2ncc(-c3ccccc3)o2)c1 108485789 GFVLRAOCKANJDM-DXMSMQRWSA-N 339.460 5.221 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1CCCc2ccccc21 225355123 OXLHHCIDRUDWRL-GOSISDBHSA-N 348.273 5.120 0 40 EKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1 225374139 OAFCXZSZIQWBIE-QGZVFWFLSA-N 336.262 5.194 0 40 EKAB Oc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCCCCC3 408987636 GCWMSCGVJRNVTH-UHFFFAOYSA-N 344.867 5.376 0 40 EKAB CCCC[C@H](CC)Cn1c(C)c(C(=O)OCC)c2cc(O)ccc21 4358577 XCLIDHHCPAQASU-HNNXBMFYSA-N 331.456 5.048 0 40 EKAB COc1ccc(-c2nc(NCc3ccc(Cl)cc3)sc2C)cc1 4672472 UPTAEHRPPMXZSY-UHFFFAOYSA-N 344.867 5.393 0 40 EKAB O=C(CCNc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccco1 5338182 DNAYGVVHWGYSBE-UHFFFAOYSA-N 341.794 5.410 0 40 EKAB Cc1ccc(Nc2nnc(SCc3ccccc3F)s2)c(C)c1 5694610 WFOVJDGKVLBWBY-UHFFFAOYSA-N 345.468 5.330 0 40 EKAB FC(F)(F)Oc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 6045177 NDIMQGBICCOJGL-UHFFFAOYSA-N 346.761 5.048 0 40 EKAB CCCCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 6596702 AJMSUTDOPWXLED-OBGWFSINSA-N 327.855 5.187 0 40 EKAB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 8336102 RJJUJLRQUIQBID-KSMMKXTCSA-N 339.822 5.173 0 40 EKAB Cc1ccc(-n2c(-c3ccccc3)cc(C=O)c2-c2ccccc2)cc1 8412645 JQVMTICKDQRLAN-UHFFFAOYSA-N 337.422 5.932 0 40 EKAB Clc1cccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c1 8741388 BXHIKLRXOQBEEH-HXUWFJFHSA-N 344.886 5.121 0 40 EKAB biogenic Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)(C)C)c3)nc2c1 9141061 JOZMOAGLUNKTQM-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 19931859 GKOGFEQRAGQTIT-OAQYLSRUSA-N 345.442 5.147 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1C 20036037 GRGHVNWRMVWCLB-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)CCCC2 25449818 XGZFCHUAXOZFNT-ZDUSSCGKSA-N 347.380 5.075 0 40 EKAB Clc1ccc([C@@H](c2ccccc2)N2CCc3ccccc3C2)cc1 25747547 CXCQFEOQOQSCFQ-JOCHJYFZSA-N 333.862 5.488 0 40 EKAB CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCC(C)C 31169598 PCWWIOUZYOPZHT-VBUSEHTESA-N 333.560 6.348 0 40 EKAB endogenous,in-man Cc1[nH]c(-c2ccc(-c3cccc(F)c3)s2)nc1-c1ccccc1 95468310 UCFBLAFBMLUOIK-UHFFFAOYSA-N 334.419 5.920 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)cc1 225702111 LVODLZZXRNQOSD-HXUWFJFHSA-N 335.488 5.180 0 40 EKAB Cc1c(-c2cccc(Br)c2)c(=O)oc2ccc(Cl)cc12 57800 NDIRYIRGJBIHDU-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB biogenic CC(=O)N1c2ccc(C)cc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C 135505 ZHNPUEPFTRRAJP-OAQYLSRUSA-N 341.882 5.490 0 40 EKAB CCc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccc(C)cc1 319109 GXVAUBUSWBADKU-UHFFFAOYSA-N 347.439 5.454 0 40 EKAB Clc1ccccc1-c1nnc(-c2ccccc2)n1-c1ccccc1 351364 JATLKOPHXQFQKS-UHFFFAOYSA-N 331.806 5.255 0 40 EKAB O[C@H](CN1CCCCC1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 1628149 QJUBRQLMPOZVNB-KTBYTZPXSA-N 341.882 5.030 0 40 EKAB Cc1c(Cl)ccc2sc(NC(=O)c3ccc(Cl)cc3)nc12 4330777 DAABZZZYGOJBAS-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)N3CCc4ccccc43)sc2c1 5619154 UQQOEAZHXSRIBG-UHFFFAOYSA-N 327.836 5.066 0 40 EKAB CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 6711209 OIWQHNADEHFIBB-UHFFFAOYSA-N 347.846 5.050 0 40 EKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)o2)cc1 7596909 WGINVKXRFIYRLC-DENIHFKCSA-N 344.414 5.139 0 40 EKAB Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccsc1)CC(O)=N2 9485651 JQIHTVDCQPQFGD-LBPRGKRZSA-N 343.839 5.019 0 40 EKAB CCCCCC[C@H](O)CCCCCCCC[C@H](O)CCCCCC 12660356 UJIQVIQCOJRTLH-SZPZYZBQSA-N 342.608 6.770 0 40 EKAB biogenic CC(=O)Nc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 14167628 KSPAGUFHLSNCRN-UHFFFAOYSA-N 328.824 5.089 0 40 EKAB Fc1ccccc1COc1ccccc1CNC1CCCCCC1 16449635 SWJUDXXHCQYENC-UHFFFAOYSA-N 327.443 5.217 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)o1 24041870 VLFVQFFTLSFBHU-UHFFFAOYSA-N 334.400 5.117 0 40 EKAB Fc1ccccc1COc1ccccc1CNc1ccc(Cl)cc1 33778187 QRRIBMHPGQELIJ-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(Cl)ccc2C)cc1 222876750 NLSSAJYHPKGHJM-SFHVURJKSA-N 331.843 5.007 0 40 EKAB CC(C)(Cc1ccccc1)NC(=O)c1cc2c(ccc3ccccc32)o1 224820962 CHPXMKFYILENPV-UHFFFAOYSA-N 343.426 5.337 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225638301 KXIICYHDOIYNET-YCRPNKLZSA-N 347.499 5.016 0 40 EKAB CC1(C)Oc2ccc(O)cc2[C@H]2O[C@@H](CCc3ccccc3)CC[C@@H]21 257210970 BWXLXVABPVIKQB-HFSMHLIXSA-N 338.447 5.032 0 40 EKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 408564644 ZFOXLCMTFIYLJK-CYBMUJFWSA-N 325.905 5.050 0 40 EKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(C(C)C)n1 585265130 HHYLXYMSUKMFHZ-UHFFFAOYSA-N 333.815 5.012 0 40 EKAB Cc1ccc(C(=O)c2ccccc2Cc2ccc3ccccc3c2)cc1 1654322 OCRITHISJDLRDZ-UHFFFAOYSA-N 336.434 5.970 0 40 EKAB CCCCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 3256344 GBJUMESXLPUDLB-UHFFFAOYSA-N 329.252 5.246 0 40 EKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 3325726 IBWFHMGXBXFBAA-JOCHJYFZSA-N 345.442 5.074 0 40 EKAB COC(=O)CCCCCCCCCCCCCCCCCC(C)C 4557043 CMVPFMWIPGEIMP-UHFFFAOYSA-N 340.592 7.447 0 40 EKAB biogenic Cc1csc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 7195746 KFXUKGFSHRQNKE-UHFFFAOYSA-N 348.537 5.429 0 40 EKAB c1ccc(COc2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)cc1 22073767 YNAUKZUJETXFRO-UHFFFAOYSA-N 347.502 5.324 0 40 EKAB C[C@@H](NC(=O)CCc1cccs1)c1ccc(-c2ccccc2)cc1 23143623 XTTVLVBTZIBAQR-MRXNPFEDSA-N 335.472 5.225 0 40 EKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2ccccc2)cc1 33657199 SZACUFKPGKHDHN-XDHOZWIPSA-N 331.802 5.500 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3ccccc3O)nc3ccc(C)cn23)c1 35616291 LKMWDKPMNKEVCG-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB O=Cc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1 36814447 XFJMPQFPVTUAPD-UHFFFAOYSA-N 346.007 5.361 0 40 EKAB Cc1cc2[nH]c(-c3cc(N)c(Cl)c(Cl)c3)nc2cc1Cl 73634796 XVTGXLDAVZVFMH-UHFFFAOYSA-N 326.614 5.081 0 40 EKAB C[C@H](CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CC1 89894553 SRDBJHKJUMWDHQ-CYBMUJFWSA-N 336.460 5.338 0 40 EKAB CC1(C)C[C@@H]2C[C@](C)(CN2c2nc(-c3ccc(Cl)cc3)cs2)C1 100088060 HDIBTYJKXVJLOS-BEFAXECRSA-N 346.927 5.869 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219597537 DXTZYTCNWJRBPL-RTWAWAEBSA-N 339.479 5.037 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 223179211 PBZSADMTWPKUIM-UHFFFAOYSA-N 337.463 5.196 0 40 EKAB CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1C 225699976 JRUAAQXUWPSGNC-HXUWFJFHSA-N 339.479 5.073 0 40 EKAB Clc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 550813 SVZZJQLYIDYRQM-UHFFFAOYSA-N 337.835 5.049 0 40 EKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C#N)[C@@]4(C)CC[C@@H]32)C1 4061907 QUGXMPWNBWSXCH-NTNVJIBLSA-N 341.495 5.021 0 40 EKAB biogenic CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 4071990 LKRHZBDLVBXHLU-UHFFFAOYSA-N 336.460 5.360 0 40 EKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc[nH]2)N3)C1 4554578 RJOQLVBDKJFCIO-MEDUHNTESA-N 343.496 5.046 0 40 EKAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 6155689 BLITVXPICHJEIV-UHFFFAOYSA-N 335.403 5.214 0 40 EKAB CCc1sc(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1C 6822741 VHXIECUPZZPJNW-ZHACJKMWSA-N 348.471 5.437 0 40 EKAB CC(C)(C)NCc1c(OCc2ccccc2F)ccc2ccccc12 6882492 CSDBMBOQEHYTFK-UHFFFAOYSA-N 337.438 5.446 0 40 EKAB CCc1ccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc1 6943597 DRMCFRVGMOCQOK-FIKGOQFSSA-N 333.431 5.082 0 40 EKAB Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c(C)o1 6968412 VTYZWIVTFDNHNG-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB CC(C)c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 7009710 NULISGSEOKQJQI-UHFFFAOYSA-N 338.234 5.134 0 40 EKAB Cc1ccc(C)c2sc(NC(=O)c3ccc4ccccc4c3)nc12 7349017 TXRSIDZOZBTCTA-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB c1ccc(-c2n[nH]c(SC(c3ccccc3)c3ccccc3)n2)cc1 8401764 UKQNPDYGJRTIJR-UHFFFAOYSA-N 343.455 5.353 0 40 EKAB Cc1ccc(COc2ccc(Cl)cc2CNC2CCCC2)cc1 20875098 SKBLUHYHKSCWRU-UHFFFAOYSA-N 329.871 5.260 0 40 EKAB COc1cccc(-c2nc(-c3cc(C)sc3C)cs2)c1OC 24280864 QHIWFVYBSVTESA-UHFFFAOYSA-N 331.462 5.173 0 40 EKAB CSc1cccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 71761376 ZGRNUPAWSHNAOH-UHFFFAOYSA-N 342.411 5.236 0 40 EKAB CCC[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3F)CC2)CC1 100156664 ICLZCWIEIKVPRB-RYTJFDOTSA-N 338.457 6.984 0 40 EKAB Cc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1C 223391575 DWJFHAZXRGUZPV-UHFFFAOYSA-N 343.470 5.142 0 40 EKAB CCCOc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 253375086 ONNJSWOZTAIWJU-UHFFFAOYSA-N 347.414 5.520 0 40 EKAB Cc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3C)cc2)c1 408619552 IXXLJQPBIBQPOB-UHFFFAOYSA-N 335.378 5.487 0 40 EKAB O=C(Cc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1 359936 WGSNNEYMAZZBSZ-UHFFFAOYSA-N 329.321 5.040 0 40 EKAB O[C@@H]1C[C@@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21 1383521 PAQCIBLMLRKGNI-RBUKOAKNSA-N 336.818 5.701 0 40 EKAB O=C(CSc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 1400542 OBQFUBYEUCQHIH-UHFFFAOYSA-N 345.773 5.090 0 40 EKAB O=C(Nc1cccc2ccccc12)OC[C@@H]1CCc2ccccc2C1 1600749 PSQAMMNCBSLBRW-MRXNPFEDSA-N 331.415 5.193 0 40 EKAB CC[C@]1(C)C[C@](CCN(Cc2ccccc2)C(C)=O)(C(C)C)CCO1 2109258 LVLYBTXEWVKWEA-FGZHOGPDSA-N 345.527 5.047 0 40 EKAB biogenic O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1cccs1 3367879 AVMFSWVIFTYGJP-ZDUSSCGKSA-N 341.263 5.424 0 40 EKAB Clc1ccc(Cl)c(SCc2nnc(-c3cccs3)o2)c1 3368503 XDNMFGHOPCHVKE-UHFFFAOYSA-N 343.260 5.397 0 40 EKAB Fc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 4303240 XCXVPWJZOSWQOM-UHFFFAOYSA-N 340.401 5.969 0 40 EKAB CCCC[C@H](CC)COP(Oc1ccccc1)Oc1ccccc1 5515121 XKZGIJICHCVXFV-SFHVURJKSA-N 346.407 6.604 0 40 EKAB Cc1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1C 7941927 CFPLAOILSKWWHR-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)s2)cc1 7989942 BIIXXJAWQDNQKX-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB Fc1ccc(COc2ccc3c(Cc4ccccc4)noc3c2)cc1 11853970 WYTZLORGASSPMF-UHFFFAOYSA-N 333.362 5.137 0 40 EKAB biogenic Fc1ccccc1-c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)o1 14077390 FCGNIBPFUYJNID-JXMROGBWSA-N 339.753 6.051 0 40 EKAB Cc1ccccc1[C@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 16241047 STTFEHICOCIFLE-LBPRGKRZSA-N 338.398 5.061 0 40 EKAB COc1ccccc1[C@@H](Nc1ccccn1)c1c(C)[nH]c2ccccc12 19879375 WLSLEHXCYQODQL-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1Cl 23040293 NQNOWOCVKRWKKZ-HXUWFJFHSA-N 335.834 5.054 0 40 EKAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1SCc1ccsc1 30065389 GXDFNUBVSOOJBE-CQSZACIVSA-N 329.490 5.335 0 40 EKAB C[C@@H]1CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C2=C(O)C1 102602624 XYEDVGVPJYMUIT-ADLMAVQZSA-N 335.432 5.015 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C 223396323 NCRWQHHYMTXMGA-QHSLDKKCSA-N 349.518 5.800 0 40 EKAB Cc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c(C)c1 225763039 SJQQIUSGNFASGB-FQEVSTJZSA-N 340.536 5.604 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccccc2C(C)(C)C)c1 228967650 RZSBLVLNVBUARG-UHFFFAOYSA-N 340.467 5.761 0 40 EKAB Cc1cc(C)c2c(c1)N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248328995 CQIDVBWOHPMBLT-ZBWQPJPKSA-N 347.458 5.298 0 40 EKAB O=C(c1ccccc1Cl)N1c2ccccc2Sc2ccccc21 107628 NYVZOLHCYJHXKD-UHFFFAOYSA-N 337.831 5.783 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1sc(Cl)nc1-c1ccccc1 385405 HYDZAFJYGXIHCZ-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1 569064 PXUSVAIBMPLYSX-INIZCTEOSA-N 325.452 5.487 0 40 EKAB O=C1c2ccccc2CC[C@H]1[C@H](Sc1ccccc1)c1ccco1 1448911 DNKBZUOPOLZAOQ-NQIIRXRSSA-N 334.440 5.558 0 40 EKAB Cc1cc2nc(C=C(C(F)(F)F)C(F)(F)F)sc2cc1C 1639250 JOUFTDDYFMLDEQ-UHFFFAOYSA-N 325.277 5.421 0 40 EKAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1Oc1ccccc1 3334620 AQJQNHJPRGQITB-NRFANRHFSA-N 343.426 5.286 0 40 EKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(C)c1 5008918 BWCDKRHYZVKXCR-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB CCN(CC)C[C@H](C)N1c2ccccc2Sc2ccc(Cl)cc21 5333445 OSRHRKZKAYRCMF-AWEZNQCLSA-N 346.927 5.673 0 40 EKAB CC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 6297503 KCAIXZZAFNVGMN-PXLXIMEGSA-N 341.410 5.069 0 40 EKAB Clc1cccc(Cl)c1CSc1nc(-c2ccccc2)n[nH]1 6530213 LFKSZQHNIFIKDO-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB Cc1cc(-c2nnc(CSc3ccc4ccccc4c3)o2)c(C)o1 7778621 VXUDRGZERGQVLW-UHFFFAOYSA-N 336.416 5.392 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 14013302 FVFGLKGLRJNHRD-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB Cc1ccsc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19324277 DXHYIVXIGALARX-UHFFFAOYSA-N 348.515 5.073 0 40 EKAB COc1cccc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)c1OC 25667049 FNPIPXYDJPDVRX-UHFFFAOYSA-N 345.851 5.456 0 40 EKAB CCN(CC)CCN(c1ccccc1)c1cc(C)c2ccccc2n1 46085541 JOABJQVBEMWTLM-UHFFFAOYSA-N 333.479 5.023 0 40 EKAB CC(C)(C)[C@H](NCc1csc(-c2ccsc2)n1)c1cccs1 71822587 OZGBCPOGKGRUHH-OAHLLOKOSA-N 348.562 5.810 0 40 EKAB c1ccc(CN2CCCC[C@H]2c2ccc(NC3CCCC3)nc2)cc1 72213985 FHMNVGKCNCXUNU-NRFANRHFSA-N 335.495 5.163 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 98072801 ALIXHJHWADHPJA-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB C[C@H](c1ccc(F)cc1)[S@@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 107520567 NMSWAUCAHJXYNP-ICBMNTSNSA-N 343.423 5.052 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225652630 FTKWADVFYGOPIR-NRFANRHFSA-N 349.515 5.486 0 40 EKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1c(F)cccc1F 225660077 OBMXGJFBTUCAKY-CYBMUJFWSA-N 348.462 5.008 0 40 EKAB CCCO[C@@](C)(CCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225740680 MYAKJDJGZGIVRS-UTKZUKDTSA-N 349.515 5.405 0 40 EKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(Cl)cc1)C(C)C 225759951 NYAVSJSHONZLIG-QGZVFWFLSA-N 332.900 5.332 0 40 EKAB Cc1cccc(NCc2ccccc2OCc2ccccc2F)c1C 409117126 KTICZQNRSMUCSG-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB C[C@H](CC(=O)c1cc(OC(F)(F)F)ccc1Cl)CC(C)(C)C 575361621 ZAGCTFFYMAGHSR-SNVBAGLBSA-N 336.781 5.884 0 40 EKAB O=c1c(O)c(-c2ccc(F)c(Oc3ccccc3)c2)oc2ccccc12 32933 VEMBTCCVVHCOMC-UHFFFAOYSA-N 348.329 5.097 0 40 EKAB biogenic Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nc3ccccc32)cc1 1403045 BLGYAYRHUBFXFJ-UHFFFAOYSA-N 333.822 5.108 0 40 EKAB CC(C)c1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1 1940160 ZJNHFDWFXBDTRH-JLHYYAGUSA-N 348.471 5.585 0 40 EKAB CCOc1ccc([C@@H](c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 2009807 BXBLFNGPERAXLB-MRXNPFEDSA-N 343.681 5.896 0 40 EKAB CC(C)(C)c1cc(C(C)(C)c2ccc(O)c(C(C)(C)C)c2)ccc1O 2565953 ZDRSNHRWLQQICP-UHFFFAOYSA-N 340.507 6.019 0 40 EKAB investigational O=C(NC1CCCCCC1)[C@@H](Sc1ccccc1)c1ccccc1 2734246 ROGTXPDKQFVLEJ-FQEVSTJZSA-N 339.504 5.359 0 40 EKAB CC(C)c1ccc(CN(C)C(=S)Nc2ccccc2C(C)C)cc1 3330351 YQADOFBTPNQLLD-UHFFFAOYSA-N 340.536 5.762 0 40 EKAB O=C(CCC1CCCC1)Nc1nc(-c2c[nH]c3ccccc23)cs1 3350768 BUAJLLYLKCWIGL-UHFFFAOYSA-N 339.464 5.200 0 40 EKAB CCCC(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655325 ULEQPDFAVURMCP-UHFFFAOYSA-N 341.794 5.056 0 40 EKAB Cn1c(-c2ccccc2)cnc1NCc1c(Cl)cccc1Cl 4679294 DZFVTYUQZHFSRG-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB Cc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 5555746 OKRPMVPFWGINPB-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 7400915 IRHGJNKWVMLXEG-INIZCTEOSA-N 339.479 5.261 0 40 EKAB CCCSc1nc(C)cc(C)c1C(=O)Nc1ccc(CC)cc1 9250247 GTGPFLQDBVFAEI-UHFFFAOYSA-N 328.481 5.015 0 40 EKAB Cc1ccc(SC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11914862 QJHPDUYYBAHGLT-UHFFFAOYSA-N 329.808 5.236 0 40 EKAB Cc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)cc1 16842557 WVTGKSAYKDQHMX-UHFFFAOYSA-N 349.434 5.136 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)Cc3cccc(F)c3)ccc21 19934962 PHEVNHCTUGRVEK-UHFFFAOYSA-N 346.405 5.135 0 40 EKAB Cc1ccccc1-c1n[nH]c(SCc2cccc3ccccc23)n1 20195618 SICWCJGORHIOGO-UHFFFAOYSA-N 331.444 5.226 0 40 EKAB Cc1cc(Br)ccc1Nc1cc(C)c2ccccc2n1 40400812 VFKHYEFHJZIFLX-UHFFFAOYSA-N 327.225 5.358 0 40 EKAB COc1ccc(/C=C2\CCC3=C(SC)Nc4ccccc4N=C32)cc1 51329734 LBOGTKDBMSCUGE-FYWRMAATSA-N 348.471 5.645 0 40 EKAB CCCCCN(CCCCC)c1ccc(Br)cc1Cl 95915839 QMLFBPSEXPFOSH-UHFFFAOYSA-N 346.740 6.289 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OC 106993906 WJYOFTZEEOKWHZ-UHFFFAOYSA-N 333.859 5.366 0 40 EKAB CN1/C(=C\C2=Nc3cccc4cccc2c34)Sc2ccc(Cl)cc21 1082889437 ZMPYGZSXMUIQNV-YBFXNURJSA-N 348.858 6.011 0 40 EKAB Brc1cccc(-c2nc(-c3ccccc3)c3ccccn23)c1 77769 IGHSSVXIDFBMQD-UHFFFAOYSA-N 349.231 5.431 0 40 EKAB CC[C@@]1(C)OC(c2ccc(Br)cc2)=Nc2ccccc21 90797 BLFUPXBYXCEWGP-QGZVFWFLSA-N 330.225 5.183 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 562974 CKHKFNQLWIROHE-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1cccc(C)c1NC(=O)CC(c1ccccc1)c1ccccc1 1006343 PATZGKAGTCMFLX-UHFFFAOYSA-N 329.443 5.464 0 40 EKAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 1456515 ODZBMQCZYLMEHC-HLIPFELVSA-N 339.504 5.025 0 40 EKAB c1ccc(CSC(SCc2ccccc2)c2ccccc2)cc1 1706227 BEEFCYOEIGRSEM-UHFFFAOYSA-N 336.525 6.552 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)c(C)c(C)n2C 2762334 XBJSUIPSEHPABY-UHFFFAOYSA-N 334.463 5.479 0 40 EKAB CCCCCC[C@H](C)OC(=O)COc1ccc(Cl)cc1Cl 3870726 GJNVTNDAZUATRV-LBPRGKRZSA-N 333.255 5.274 0 40 EKAB biogenic,in-vitro Cc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)o2)cc1 4903874 ZIYXFCMVDLDNKP-UHFFFAOYSA-N 338.476 5.635 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)OC1C2CC3CC(C2)CC1C3 5749545 KVCSPAATDDYYPM-UHFFFAOYSA-N 340.250 5.367 0 40 EKAB S=C(Nc1nc2c(ccc3ccccc32)s1)NC1CCCCC1 5949068 MIVBDMUMYIODDU-UHFFFAOYSA-N 341.505 5.069 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1cc(F)c(F)cc1Cl 6589053 WTQVLXWWEYGRRR-UHFFFAOYSA-N 343.760 5.538 0 40 EKAB O[C@](/C=C\c1ccccc1)(c1ccccc1)c1nc2ccccc2s1 8652627 LXUNHGPWRBNEMY-XOAGPTPASA-N 343.451 5.246 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1cc2c(ccc3ccccc32)o1 9615256 WSQWKFFAROAGPM-UHFFFAOYSA-N 343.426 5.963 0 40 EKAB O=C(Nc1cccc2ncccc12)c1cccc(Oc2ccccc2)c1 12848465 WLZHUKHFKADWPZ-UHFFFAOYSA-N 340.382 5.279 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1ccc(Cl)cc1 13039949 XDKARRSXXRMBEK-OAHLLOKOSA-N 344.886 5.061 0 40 EKAB CC[C@@H](C)c1ccc(NC(=S)NCCCc2ccccc2)cc1 13817334 XXUKYFNOVARIFQ-MRXNPFEDSA-N 326.509 5.119 0 40 EKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)NC1CCCCC1 22479661 BAJJZIQENRBCJV-UHFFFAOYSA-N 341.436 5.011 0 40 EKAB CC(C)c1cc(NC2CCCCC2)n2ncc(-c3ccccc3)c2n1 27585252 SPHDSILPRNSFKH-UHFFFAOYSA-N 334.467 5.264 0 40 EKAB Cc1cc(C)c(Cn2c(-c3cccs3)nc3ccccc32)c(C)c1 31903315 LRFYOANVTAFDNE-UHFFFAOYSA-N 332.472 5.738 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 69441094 MJXBEALCCAKSCJ-CTNGQTDRSA-N 348.490 5.321 0 40 EKAB CC(C)NC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118918329 HRROJQJBNRGRQT-ZEPKUMPTSA-N 347.587 5.148 0 40 EKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=C(C)C[C@]4(C)[C@H]3CC[C@@]21C 118923516 BNUOBHYLRSENSB-GDLCRWSOSA-N 330.512 5.517 0 40 EKAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223449817 WBFUIPGAWYALHY-JLHYYAGUSA-N 327.383 5.546 0 40 EKAB CCCCc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225129543 SJDITWHXCCXIPI-GOSISDBHSA-N 348.895 5.471 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1C 225491631 FHHKTEKOQXZKDT-IBGZPJMESA-N 326.509 5.377 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccccc2OC(C)C)cc1C(C)C 225668677 KBSUUAKQRIJMPU-UHFFFAOYSA-N 341.451 5.167 0 40 EKAB CCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225717427 JOKFQDMHTZUNEH-KUDFPVQQSA-N 347.499 5.096 0 40 EKAB CC1=CC[C@H]([C@]2(C)CC[C@@H]3[C@H](O2)c2ccccc2OC3(C)C)CC1 245380336 WNJQFPUJKIPERU-ZMUPPCTCSA-N 326.480 5.830 0 40 EKAB CC[C@@H](C(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 575360789 ILQZKFBTPBUFLW-CYBMUJFWSA-N 326.745 5.735 0 40 EKAB Cc1cc(C)cc(Oc2nc(-c3ccncc3)nc3ccccc23)c1 521036 QJKAVFBCQVRUQQ-UHFFFAOYSA-N 327.387 5.101 0 40 EKAB CCCC[N+](CCCC)=c1cc(-c2ccc(Cl)cc2)ss1 1735087 QRIMMWVNOQLTFA-UHFFFAOYSA-N 340.965 5.502 0 40 EKAB Cc1sc2nc(-c3cccnc3)nc(Cl)c2c1-c1ccccc1 3416028 QYOWLMKMNGKKPY-UHFFFAOYSA-N 337.835 5.382 0 40 EKAB Cc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1C 5548727 WUYSUCPGLPKTBG-UHFFFAOYSA-N 329.443 5.341 0 40 EKAB Cc1cc(NC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)no1 12782380 MYKRKCOAZPQZMQ-UHFFFAOYSA-N 333.347 5.040 0 40 EKAB Cc1csc(N(C(=O)Cc2ccccc2Cl)c2ccccc2)n1 14586568 WOEJRJBVWQIQSM-UHFFFAOYSA-N 342.851 5.012 0 40 EKAB C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1 17072424 BQZSZCZXUYHADR-LBPRGKRZSA-N 348.462 5.310 0 40 EKAB CC(C)COc1ccccc1NCCOc1ccccc1C(C)(C)C 19738300 MDIXCDWFVKCLAW-UHFFFAOYSA-N 341.495 5.510 0 40 EKAB Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2cc(C)sc2C)c(C)s1 31662778 WWHIJTPNMAJRHA-VXGBXAGGSA-N 336.526 5.165 0 40 EKAB Cc1csc(-c2sc(-c3scc(C)c3C)c(C)c2C)c1C 72232712 URTQCDXIJLVJOM-UHFFFAOYSA-N 332.559 7.056 0 40 EKAB CC(C)c1ccccc1NC(=O)c1ncc(-c2ccc(Cl)cc2)o1 206588516 BGPWZJMVSNZMQI-UHFFFAOYSA-N 340.810 5.371 0 40 EKAB CC[C@@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)cc1 225663274 YWRFCRSKCCRDAE-HXUWFJFHSA-N 339.479 5.317 0 40 EKAB Cc1cccc(SCC(=O)Nc2ccc(C3CCCCC3)cc2)c1 45128 LHCRTXLWAMXTBP-UHFFFAOYSA-N 339.504 5.774 0 40 EKAB c1ccc(C2=NCSC(N(c3ccccc3)c3ccccc3)=N2)cc1 2679841 ZUPBIWQEZFHRHL-UHFFFAOYSA-N 343.455 5.332 0 40 EKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cccc(F)c1 4075643 OSXVRSGJLIEWMU-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@@H]3C(C)(C)CCC[C@]34CO[C@H]2[C@H]14 4972889 UGGAILYEBCSZIV-GNDPMSABSA-N 342.479 5.146 0 40 EKAB CCCCCOc1ccc(C(=O)NCC(C)C)cc1OCCCCC 5464191 CUDMTRLPPZSPSU-UHFFFAOYSA-N 349.515 5.210 0 40 EKAB COc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2C)cc1 6185949 SEPAMQHWJKUQHC-UHFFFAOYSA-N 330.840 5.524 0 40 EKAB Cc1ccc(C(=O)C[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 6487091 HHMFZRAKYRLTQI-NRFANRHFSA-N 328.411 5.235 0 40 EKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)o2)cc1 7596907 WGINVKXRFIYRLC-SIKLNZKXSA-N 344.414 5.139 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2ccccc2n1 7668938 HCZPWPCOJGINAS-UHFFFAOYSA-N 332.447 5.734 0 40 EKAB COc1ccc(Oc2ccc(Cl)c(Cl)c2)c2nc(C)cc(C)c12 8306539 DWHSWOXUDQXAFQ-UHFFFAOYSA-N 348.229 5.959 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)c(C)c1 13931373 KVUMDXCHRNBVBA-LBPRGKRZSA-N 336.863 5.144 0 40 EKAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)c3cccs3)nc2c1 16000763 OJLSUWNQJATFAA-UHFFFAOYSA-N 344.505 5.277 0 40 EKAB S=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H]2CCCC[C@H]21 16385091 CEWKKBDWODDHHZ-IAQYHMDHSA-N 343.323 5.345 0 40 EKAB Clc1ccc(-c2ccnc(SCc3ccccc3Cl)n2)cc1 20120550 TTWSZEDCEDQQFL-UHFFFAOYSA-N 347.270 5.743 0 40 EKAB Cc1ccc(C)c(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1 39892938 YLHAQMJCOBRGRJ-UHFFFAOYSA-N 341.838 5.501 0 40 EKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 59960956 OEWCODNXNXGACQ-UHFFFAOYSA-N 349.449 5.546 0 40 EKAB CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)c1ccccc1 222676123 OKMNRUSHQQWEFX-QHCPKHFHSA-N 345.486 5.676 0 40 EKAB CC(C)C[C@@H](NC(=O)COc1ccccc1C(C)C)c1ccccc1 222811073 JLUKNKYTMGYWSQ-HXUWFJFHSA-N 339.479 5.092 0 40 EKAB Cc1ccc([C@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)cc1 223114372 QGSIMQDYVBSYHE-JOCHJYFZSA-N 349.861 5.097 0 40 EKAB CCCC[C@@H](CC)CNC(=O)c1ccccc1CCc1ccccc1 224279388 VNBOZVWZHNIQMF-LJQANCHMSA-N 337.507 5.418 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255936 YQEWUDZOWPSGII-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB Cc1nc(Nc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 215515 GVEPDKZQTGBSRJ-UHFFFAOYSA-N 329.856 5.276 0 40 EKAB CC(C)=CCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 521934 UVQOSXBZSPVWGW-UHFFFAOYSA-N 340.806 5.458 0 40 EKAB CC(C)(C)c1cc(-c2ccccc2)cc(-c2cc(Cl)ccc2O)n1 2266637 IRFXVKDPSDBIPN-UHFFFAOYSA-N 337.850 6.072 0 40 EKAB CCCCCNC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 5463896 QKQADKAOWIAFAZ-UHFFFAOYSA-N 332.447 5.130 0 40 EKAB CCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 7261741 RZVNLPARBHEOAC-UHFFFAOYSA-N 338.278 5.462 0 40 EKAB CCOc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1 8060363 KKMRQXFHCRBIOR-UHFFFAOYSA-N 337.444 5.375 0 40 EKAB O=C(Cc1ccc(Cl)s1)Nc1ccccc1Oc1ccccc1 10061074 ZEJQNUIHTIIIEN-UHFFFAOYSA-N 343.835 5.375 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709082 SJBHOGJSCJXYEE-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB C1=C(c2ccccc2)N2CCO[C@]23CCCC[C@H]3[C@@H]1c1ccccc1 13768676 IIWHIPPFNCKTOT-FUDKSRODSA-N 331.459 5.044 0 40 EKAB CC(C)COc1ccc(NC[C@H](C)Oc2ccc(C(C)C)cc2)cc1 19738163 BSRKFRFQLWIMEG-SFHVURJKSA-N 341.495 5.724 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccoc2C)cc1 20008624 IQMBJWXXVJQINT-UHFFFAOYSA-N 337.375 5.031 0 40 EKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1 27664108 JIOZFHRLSWODFB-UHFFFAOYSA-N 343.473 5.055 0 40 EKAB CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)cc1 59351726 MFRLDLYQWCLSMV-QFIPXVFZSA-N 329.443 5.543 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 78457767 QYHCAVJZEZJPAI-ABPVARSCSA-N 335.491 5.437 0 40 EKAB Cc1ccc2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)[nH]c2c1 85345326 NGOFSDLAIIXXMF-UHFFFAOYSA-N 343.213 6.105 0 40 EKAB CC(C)(c1ccc(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 90713963 OQADATLUDADTND-UHFFFAOYSA-N 331.626 5.384 0 40 EKAB in-vitro CCSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 216444343 GZDMDNVAHKCGOK-HNNXBMFYSA-N 343.492 5.328 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219314264 CXIRPWGVQDSUQA-WOJBJXKFSA-N 339.479 5.037 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Cl)cc1 225658325 COODSCITGYWCCE-AWEZNQCLSA-N 346.927 5.383 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c2ccccc12 225825957 GETPTLIZCJTRRX-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB c1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 492357 OYTRAIYXPUVZNX-UHFFFAOYSA-N 348.409 5.125 0 40 EKAB aggregator O[C@]1(c2ccccc2)[C@@H]2CC=C[C@@H]2C1(c1ccccc1)c1ccccc1 1597160 YZUUYMMQSJASJE-JBRSBNLGSA-N 338.450 5.066 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(Oc4ccc(F)cc4Cl)c23)C1 3339307 LMUZQLWNPQUCEB-VIFPVBQESA-N 348.830 5.401 0 40 EKAB Cc1cccc(COc2ccccc2C(=O)NC2CCCCCC2)c1 3413762 PNQADHDXTZLEMG-UHFFFAOYSA-N 337.463 5.027 0 40 EKAB COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccccc1 4657454 RTVFVHVEEZOVQA-GOSISDBHSA-N 347.458 5.125 0 40 EKAB CCOc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 6538673 GKAVRXNVKUXCGS-UHFFFAOYSA-N 345.398 5.166 0 40 EKAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CCCC1 6847691 CPHXEEFANUWDAG-UHFFFAOYSA-N 336.460 5.016 0 40 EKAB C[C@H](C(=O)Nc1cccnc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420265 INAHGKNWLLNKOI-LBPRGKRZSA-N 349.821 5.112 0 40 EKAB Fc1ccccc1/N=c1/[nH]c(-c2ccccc2)nc2ccc(Cl)cc12 13633722 NHTSUAMDSRCTKW-UHFFFAOYSA-N 349.796 5.255 0 40 EKAB Cc1cc2occ(CC(=O)Nc3cccc4ccccc34)c2cc1C 15319778 LKLVIYUMGPKDML-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1SCC(=O)O 16249277 ZSHMJLYVWPSMQD-UHFFFAOYSA-N 343.835 5.040 0 40 EKAB CC[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(C)cc1 20460701 JVBNBERJNKQIMN-SFHVURJKSA-N 347.911 5.149 0 40 EKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 22414143 CTKVSSIXSSKTJM-UHFFFAOYSA-N 338.794 5.088 0 40 EKAB Clc1ccccc1-c1nnc(-c2sc3ccccc3c2Cl)o1 27023418 NWFCQBMIVSSQHP-UHFFFAOYSA-N 347.226 5.925 0 40 EKAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(Oc2ccccc2)c1 71280291 HQYYKQFLEBXZIW-SFHVURJKSA-N 347.418 5.380 0 40 EKAB Cc1ccc(-c2nnc([C@@H](C)S[C@H](C)c3cccs3)o2)cc1 95960588 LZQVIDMCUUCCJN-CHWSQXEVSA-N 330.478 5.662 0 40 EKAB O=C(NCc1ccccc1-c1ccsc1)c1ccc(Cl)s1 96122889 IKPVNCLSNNZGKM-UHFFFAOYSA-N 333.865 5.060 0 40 EKAB Cc1ccc(F)c(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 96171150 JWMZAUSLSXAEDF-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 100003725 RRKRBRVTKIRLHH-GASCZTMLSA-N 332.409 6.845 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)cc1 225752786 VNYIORLOMQFUOY-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cs1 409024489 UERHPXRVWDSUNH-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1ccc(C)c(NCc2ccccc2OCc2ccc(F)cc2)c1 409117965 YICPSBXYRAVKHE-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB COc1ccc2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1 344392 VGIBEFQNLZOXII-UHFFFAOYSA-N 333.218 5.602 0 40 EKAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)c1cccs1 412481 KWRWIMLSPOQHJL-UHFFFAOYSA-N 327.474 5.197 0 40 EKAB CCOC(=O)CCCCCCC(=O)c1ccc(-c2ccccc2)cc1 2379008 AOPVUBIDRJQHMV-UHFFFAOYSA-N 338.447 5.440 0 40 EKAB O=C(CSc1ccccc1Cl)c1ccccc1Br 3264591 SOHVXHLGXYOGBF-UHFFFAOYSA-N 341.657 5.078 0 40 EKAB CCC[C@H](Nc1nc(C)nc2sc3c(c12)CCC3)c1ccccc1 3416934 BHOGVLLSBGUBNM-INIZCTEOSA-N 337.492 5.442 0 40 EKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]3Cc4sc(N)nc4[C@]3(C)CC[C@H]12 4262921 LDZFZRSSOBEODZ-JEWSBCAQSA-N 330.541 5.172 0 40 EKAB O=C(O)c1ccccc1N[C@H](c1ccccc1)c1ccc(Cl)cc1 4622563 QUTUJRKVWNTRPO-LJQANCHMSA-N 337.806 5.240 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 4666367 KYFBTKOBSYQJBJ-ZWKOTPCHSA-N 337.507 6.141 0 40 EKAB CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 4869758 CVJKOBXOONLDNQ-UHFFFAOYSA-N 349.484 5.117 0 40 EKAB S=c1ssc2c1S[C@H](c1cc3ccccc3[nH]1)S2 5604909 CLUVBROWRXRNPT-NSHDSACASA-N 325.530 5.917 0 40 EKAB CCCCc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 6652808 WTPDUVGYJOFVHT-OQKWZONESA-N 345.442 5.802 0 40 EKAB CCCCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 7260994 VTQNAOFUCDBKDR-UHFFFAOYSA-N 349.877 5.728 0 40 EKAB COc1ccc(-c2cnc(SCc3cccc(Cl)c3)[nH]2)cc1 8770295 YTMMEVBEQCKPGH-UHFFFAOYSA-N 330.840 5.031 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1csc(-c2cccs2)n1 12974782 FKVLTNLSIYQJFY-UHFFFAOYSA-N 342.489 5.556 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1Cl 13789843 JZPDSBSQQOXEIK-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB CCCC[C@H](c1cccc(O)c1)[C@@H](CCCC)c1cccc(O)c1 17108004 TUIUBFPFLXPNFD-SZPZYZBQSA-N 326.480 6.346 0 40 EKAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577760 FHWRWTULYCKOFW-UHFFFAOYSA-N 340.442 5.192 0 40 EKAB CC(C)C[C@H](NC(=O)CCSCc1ccccc1)c1ccccc1 30865145 INOVOSUBOXBKBH-FQEVSTJZSA-N 341.520 5.214 0 40 EKAB CC1(C)Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 40486322 SOFYLRVNHUOJES-INIZCTEOSA-N 347.245 5.273 0 40 EKAB Fc1c(Cl)cccc1NC(=S)Nc1cccc(Cl)c1F 71326201 AVPDLDUDBZITCY-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Fc1ccc(Br)c(CSc2ccc(F)c(F)c2)c1 95733587 OHZRWDXNQPRSDD-UHFFFAOYSA-N 333.172 5.159 0 40 EKAB COC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 216805865 DVLADUBKBASTCZ-UHFFFAOYSA-N 345.609 5.012 0 40 EKAB COc1ccc(C)cc1NC(=O)c1cc2cc3ccccc3nc2s1 223131329 DMDXRUSZQZEPGL-UHFFFAOYSA-N 348.427 5.019 0 40 EKAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cc1C 225746258 VEQZZVFGEHVRCF-NRFANRHFSA-N 349.515 5.488 0 40 EKAB O[C@H](c1ccc(Cl)c(Cl)c1)c1ccc2c3c(cccc13)CC2 226295643 KGUXXOLRRAHLHX-LJQANCHMSA-N 329.226 5.327 0 40 EKAB Cc1ccc(COc2cccc(CNc3cc(C)ccc3C)c2)cc1 409109581 HPYGCDFJBAZMDM-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB CCc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 482495 AUDDKKVWNVFFSI-UHFFFAOYSA-N 331.415 5.080 0 40 EKAB Cc1nc2c(ccn3cc(-c4ccccc4)c(-c4ccccc4)c23)n1C 1269742 YGCZLHAOPWYVLH-UHFFFAOYSA-N 337.426 5.468 0 40 EKAB Cc1cc(C)cc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)c1 5219577 XWQQLDOGVQYQQH-ZDUSSCGKSA-N 328.412 5.346 0 40 EKAB CC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1Cl 6781432 DKAMILGFOIRGKI-UHFFFAOYSA-N 338.278 5.461 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 6934390 KKPHYUGRMGFBFG-HNNXBMFYSA-N 347.458 6.329 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)CCc3ccccc3)cc2)cc1C 8471502 AGJPOOVDZDQJQB-UHFFFAOYSA-N 345.442 5.667 0 40 EKAB Cc1ccc2cc(/C=C/C(=O)Nc3ccc(Cl)c(Cl)c3)oc2c1 67339728 HEJYRDRXMBGDMR-FNORWQNLSA-N 346.213 5.700 0 40 EKAB Fc1cc(Cl)ccc1NC(=S)Nc1cccc(Cl)c1F 71326202 HVNVEKFWLBJCRA-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Cc1cc2nc(-c3cc(Br)ccc3Cl)oc2cc1C 73639922 QFFJTGZXOAOSKQ-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 78457771 QYHCAVJZEZJPAI-YTBHAWNYSA-N 335.491 5.437 0 40 EKAB Clc1ccccc1CN1CC=C(c2nc3ccccc3s2)CC1 95539610 JWSNGTPFUMQTQE-UHFFFAOYSA-N 340.879 5.239 0 40 EKAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 113951977 PGCMTXNQSVKHAE-HXUWFJFHSA-N 349.430 5.035 0 40 EKAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118926033 WCRNVUWHLPSYKR-RDIILWCNSA-N 346.555 5.845 0 40 EKAB Cc1ccc([C@@H]2CC(C)(O)C[C@@H](c3ccc(C)cc3C)S2)c(C)c1 139309948 SUQRMLVEIYMUHI-SFTDATJTSA-N 340.532 5.981 0 40 EKAB Cc1cc(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)cc(C)c1Cl 224137506 WLWJLCBYEZCYDR-CQSZACIVSA-N 339.907 5.055 0 40 EKAB Clc1cc(Cl)cc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 226294061 XWKHAXRAAOKHDU-UHFFFAOYSA-N 340.209 6.469 0 40 EKAB CC[C@H](c1ccc(OC)cc1)[C@H](CC)[C@H](C)c1ccc(OC)cc1 248247904 HRTJXPLKDGPKLQ-NPFVIJTESA-N 326.480 6.027 0 40 EKAB in-vitro CCCOc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1C 408589201 YYYKHYWIDLGUNY-UHFFFAOYSA-N 338.234 5.343 0 40 EKAB CCCOc1ccc(CNc2ccc(C)cc2C)cc1Br 409112942 MOBFRJQOKZVHIX-UHFFFAOYSA-N 348.284 5.467 0 40 EKAB CC[C@H](C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccccc1 575361519 OIXRSYXFHNZPKC-ZDUSSCGKSA-N 326.745 5.735 0 40 EKAB C[C@@H](SCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 562687 PDVWHOGYTOHXIM-LLVKDONJSA-N 340.275 5.254 0 40 EKAB CCCCCOc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1 1834201 OJQAICVBIGQUQX-UHFFFAOYSA-N 349.430 5.257 0 40 EKAB Cc1cc(C(C)(CC(C)C)c2cc(C)c(O)c(C)c2)cc(C)c1O 2142018 IWVAMAOCYGWCIN-UHFFFAOYSA-N 326.480 5.684 0 40 EKAB c1ccc(-c2nc(Oc3ccc4ccccc4c3)c3ccccc3n2)nc1 2442430 OGAOZDQMGKXTII-UHFFFAOYSA-N 349.393 5.637 0 40 EKAB c1ccc2c(Nc3ncc(-c4nc5ccccc5o4)cn3)cccc2c1 3030982 PSDIJKQESGRXOY-UHFFFAOYSA-N 338.370 5.182 0 40 EKAB CC(C)CC[C@H](C)NC(=S)Nc1ccc(Oc2ccccc2)cc1 3330356 LMYXOAZRQHOXFA-INIZCTEOSA-N 342.508 5.590 0 40 EKAB Cc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)cc1 4129963 PGIIQDDPHRKZCE-UHFFFAOYSA-N 345.833 5.082 0 40 EKAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)C1(C)C 4717250 GDJKFDSRDFQQSD-PMACEKPBSA-N 345.442 5.075 0 40 EKAB CCc1cc2c(SCc3c(F)cccc3Cl)ncnc2s1 7782729 RVFKTUAMEZBXAU-UHFFFAOYSA-N 338.860 5.339 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1C 8040853 JKTHLQKIPIURBK-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB Cc1ccc(COc2ccccc2C(=S)NC2CCCCC2)cc1 9188059 ZHBYHWVANZSSBW-UHFFFAOYSA-N 339.504 5.172 0 40 EKAB CCc1cccc(C)c1NC(=O)c1ccc(-c2ccccc2)nc1C 12978985 LAZQCXLWEJLPCD-UHFFFAOYSA-N 330.431 5.180 0 40 EKAB Cc1nc(Oc2ccc(Cl)cc2)c2c3c(sc2n1)CCCCC3 13063039 GEESQIAGEIPEIS-UHFFFAOYSA-N 344.867 5.714 0 40 EKAB CCc1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 14258125 WAVNDIGRBVDPNF-UHFFFAOYSA-N 337.463 5.314 0 40 EKAB Clc1ccc(-c2nc(CN3CCC[C@H]3c3cccs3)co2)cc1 24992531 QUERNCXFWKBGRH-INIZCTEOSA-N 344.867 5.394 0 40 EKAB O=C(CCc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 40995099 GOMHMHZXVROXOW-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(C)C 44843944 SNMJFOLABBYSFU-LJQANCHMSA-N 325.452 5.223 0 40 EKAB Clc1ccc(OCc2cccc(Br)c2)cc1Cl 70136096 MRUDMBPZADOZBR-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(C)cc1 113970425 YXHGZBDEUHYKRF-WOJBJXKFSA-N 339.479 5.037 0 40 EKAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118924779 STKWRJUKSJWSDX-LUSYZINYSA-N 346.555 5.987 0 40 EKAB FC(F)(F)CCCCCCCCCCCCCCC(F)(F)F 169795185 UZBLKTFLDOPCKV-UHFFFAOYSA-N 334.388 7.572 0 40 EKAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)c(C)c2)cc1Cl 223243137 HSVTZJKFRUCMKN-GOSISDBHSA-N 345.870 5.237 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225625080 PFRXIJPMBZKZNJ-GOSISDBHSA-N 341.879 5.053 0 40 EKAB CCn1c(SC(=O)c2cccc3ccccc23)nc2ccccc21 408692813 WALDTRUYJSHRLT-UHFFFAOYSA-N 332.428 5.142 0 40 EKAB CC(C)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)ccc2c1=O 685938714 TWXLJTJFHFQLET-UHFFFAOYSA-N 331.337 5.337 0 40 EKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1 67583 HVAYLEYCWGZQDX-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccccc1Cl 351957 GDNZYNGDPMKXLB-UHFFFAOYSA-N 335.790 5.421 0 40 EKAB Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1sccc1C 381899 GGPQHKDDEJTBIL-LJQANCHMSA-N 334.444 5.136 0 40 EKAB O=C(CC(CC(=O)c1ccccc1)c1ccccc1O)c1ccccc1 1670047 PXOFLCZXCHYSMS-UHFFFAOYSA-N 344.410 5.022 0 40 EKAB O=C(O[C@H]1CCCC[C@H]1C1CCCCC1)C(Cl)(Cl)Cl 1686284 NBNJNFUHTVVPMM-RYUDHWBXSA-N 327.679 5.039 0 40 EKAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1Cl 1741815 UQZQHHBCWAGXGT-UHFFFAOYSA-N 345.613 5.299 0 40 EKAB CC[C@@H](C)c1ccc(-c2ccc(-c3ccc([C@H](C)CC)cn3)cc2)nc1 3108571 SLWWKRZDQOYQSJ-QZTJIDSGSA-N 344.502 6.838 0 40 EKAB CC(C)CC[C@@]1(CCNCc2ccccc2)CCO[C@H](C(C)C)C1 4073289 TWEHSWBPHIACBO-FCHUYYIVSA-N 331.544 5.424 0 40 EKAB biogenic Cc1cccc(-n2cc(-c3ccc(Cl)c(Cl)c3)sc2=N)c1 5571243 SJFVVJXPYZSWJY-UHFFFAOYSA-N 335.259 5.300 0 40 EKAB Cc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)cc1C 6998366 VDAWMIMJVHAWPG-UHFFFAOYSA-N 339.382 5.053 0 40 EKAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 10275958 VBQJRVUGYKJNEJ-CQSZACIVSA-N 329.871 5.057 0 40 EKAB CSc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10367763 CNKCJDIJWXAXAJ-UHFFFAOYSA-N 327.493 5.277 0 40 EKAB CC[C@@H](CNc1cc(C)ccc1C)Oc1ccccc1[C@@H](C)CC 19737794 UTGBKWJKNSYDLK-HKUYNNGSSA-N 325.496 6.086 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1c(C)cc(C)cc1C 22514592 BSYZUSIEGIAGHD-FQEVSTJZSA-N 347.458 5.561 0 40 EKAB C[C@]12CC[C@@]3(CS3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21CS1 26570728 GIBFGVLFEQJQJA-FFWOKMQNSA-N 348.621 6.000 0 40 EKAB Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C(C)C)cc1 31873569 IEYPSEILPKTKHC-UHFFFAOYSA-N 338.382 5.165 0 40 EKAB Cc1cccc(C)c1NC(=S)Nc1cccc(OC(F)(F)F)c1 43568829 PFHBJXONSGUREG-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB COc1ccc(NC(=S)Nc2ccc(C)cc2Cl)cc1Cl 71761842 OXAXPHSOVVPJMH-UHFFFAOYSA-N 341.263 5.119 0 40 EKAB C[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1cnc2ccsc2c1 95419295 SLQBXBFSLZOEOU-BTYIYWSLSA-N 345.471 5.132 0 40 EKAB Fc1ccc(Br)c(CSc2cccc(Cl)c2)c1 95733537 UNKXELXOCXARQY-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB C[C@@H](c1ccccc1)n1c(-c2ccc3c(c2)OCO3)cc2c1CCCC2 95951542 MJNDBVBZWQOZQD-INIZCTEOSA-N 345.442 5.372 0 40 EKAB Cc1ccc(C)c(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 96171173 BFIITOJGTRBGFW-UHFFFAOYSA-N 342.748 5.620 0 40 EKAB COc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1 107028264 INPVDOJUHJQAMZ-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)c1 113934978 JSNGOPVVFZTUKY-HUUCEWRRSA-N 347.911 5.315 0 40 EKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914673 IECWTSWUVZMVIW-OBUPQJQESA-N 344.583 6.220 0 40 EKAB O=C(Nc1ccccc1Cl)N1CCCC[C@H](c2ccc(F)cc2)C1 206875480 TXCIXYDKNFVQIN-HNNXBMFYSA-N 346.833 5.281 0 40 EKAB O=C(NCc1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 222829607 QPIJHQLSCNBJPS-UHFFFAOYSA-N 337.422 5.437 0 40 EKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1Cl 225134523 DJBDKMJRVHDYSR-UHFFFAOYSA-N 331.843 5.116 0 40 EKAB Cc1nc(-c2cccc(NC(=S)NC3CCCCCC3)c2)cs1 225179562 SKKKIZJJFDUIOU-UHFFFAOYSA-N 345.537 5.128 0 40 EKAB CC(C)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225366825 FVMKIBYZZQOSCM-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB O=C(c1ccc(-c2ccsc2)cc1)N(Cc1ccsc1)C1CC1 225617564 JQIKLAYUDQUSFD-UHFFFAOYSA-N 339.485 5.281 0 40 EKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(Cl)c1 122495 MQRVPRJWGSNWNQ-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 253649 UJEKRKVGVQAVDM-ZIAGYGMSSA-N 331.843 5.260 0 40 EKAB Cc1cc(C)c2c(-c3ccccc3)nn(Cc3ccc(Cl)cc3)c2n1 326933 LGVJICQRZVMGDN-UHFFFAOYSA-N 347.849 5.417 0 40 EKAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)cc1 1856519 MNEIZAPQFYIETJ-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Cc1ccc(Cl)c(NC(=O)C2(c3ccccc3)CCCC2)c1Cl 2512717 HTAMMCAFNXWHKZ-UHFFFAOYSA-N 348.273 5.752 0 40 EKAB C[P@@](=O)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)F 3176989 ZJZCLKSFPMLRDW-JLCFBVMHSA-N 330.242 5.209 0 40 EKAB Cc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1C 6215815 JRKZTQQPULYRAG-UHFFFAOYSA-N 339.442 5.526 0 40 EKAB CCc1ccccc1NC(=O)COc1cc(C)c(Cl)cc1C(C)C 6881909 HHTUPTUIJLDXGT-UHFFFAOYSA-N 345.870 5.352 0 40 EKAB CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OC 6964121 MRBWSOLUMOZSAA-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1C 14042485 JDOMWMZWTDZKDW-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1c(C(=O)Nc2cccc3cccnc23)oc2ccc(Cl)cc12 15835458 MKKROFABSWVSNE-UHFFFAOYSA-N 336.778 5.195 0 40 EKAB COc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1Cl 16741622 HEKXMMHKGUZBGH-UHFFFAOYSA-N 336.243 5.793 0 40 EKAB Cc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1Cl 17135993 GRTCJXSGBIRQOE-UHFFFAOYSA-N 341.842 5.188 0 40 EKAB Cc1cc(C)cc(CSCC(=O)Nc2cc(Cl)ccc2C)c1 20237939 AKIPCFMCQAOMRF-UHFFFAOYSA-N 333.884 5.137 0 40 EKAB CC(C)[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1cccs1 21494519 XILYQTYXTJOVHZ-CQSZACIVSA-N 328.264 5.182 0 40 EKAB COc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 33997343 AMLOAIZZHUTCIJ-UHFFFAOYSA-N 335.403 5.182 0 40 EKAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225794195 IZQPZDGNZDWNND-NRFANRHFSA-N 343.467 5.017 0 40 EKAB CC(C)(C)NC(=S)Nc1ccc(Oc2cccc(Cl)c2)cc1 408585354 FKDZUJRSHLCNNY-UHFFFAOYSA-N 334.872 5.217 0 40 EKAB CC(C)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 79285 FROMVPJZJGWAOH-UHFFFAOYSA-N 338.398 5.638 0 40 EKAB Clc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 390357 WMNHHCVKNSDMRG-UHFFFAOYSA-N 347.849 5.460 0 40 EKAB CCCCCOc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 1781099 OTOMUJIELIOQBL-UHFFFAOYSA-N 332.831 5.553 0 40 EKAB CCCC[C@H](CC)CNC(=O)CCCOc1ccc(Cl)c(C)c1 1787169 QDEPXCRMQUEGIP-INIZCTEOSA-N 339.907 5.140 0 40 EKAB CCCc1ccc(OCCCC(=O)Nc2cccc3ccccc23)cc1 1787228 AZZFANTYTUPXSH-UHFFFAOYSA-N 347.458 5.590 0 40 EKAB C(=C1/SC(c2ccccc2)=N[C@H]1c1ccccc1)\c1ccccc1 1859137 OGVIFLIVZKLLAY-UZLGTAQGSA-N 327.452 5.962 0 40 EKAB Clc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)s2)cc1 2272269 JIEHWMNNSHOCKW-UHFFFAOYSA-N 348.858 6.193 0 40 EKAB CCCCCC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C 2274426 MGODBRAVZCCOMJ-FXAWDEMLSA-N 336.479 5.545 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2ccccc2c1 2640913 OMDWEDZAPWQHLK-UHFFFAOYSA-N 333.431 5.398 0 40 EKAB COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 3898203 ASLZZOXRDKHSFQ-QFIPXVFZSA-N 346.405 5.190 0 40 EKAB CCc1ccc(C(=O)c2cnc3ccccc3c2-c2ccccc2)cc1 4334763 FLICFPOMGDQRBC-UHFFFAOYSA-N 337.422 5.695 0 40 EKAB Cc1c(Cl)cc2nc(SCc3ccccc3F)oc2c1Cl 4745437 OWQUVGBFXAGIFO-UHFFFAOYSA-N 342.222 5.874 0 40 EKAB Cc1cccc(-c2nnc(S[C@H](C)c3ccccc3Cl)o2)c1 5434712 QOWXIXLASKYHBV-GFCCVEGCSA-N 330.840 5.552 0 40 EKAB Cc1ccc(Cl)c(Oc2ncnc3sc4c(c23)CCCC4)c1 6077304 MMGGHWQJFPKNDV-UHFFFAOYSA-N 330.840 5.324 0 40 EKAB Cc1cc2nc(/C=C/c3ccc(OC(F)F)cc3)sc2cc1C 6566114 GMLKJWHNJRCLJS-VMPITWQZSA-N 331.387 5.685 0 40 EKAB CC[C@@H](C)NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8325995 NRYBGGQKSXBBQF-CYBMUJFWSA-N 338.278 5.461 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1Cl 8677686 HUHMCKZAVYOKLH-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB CSc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 12311407 CRGKVDGJASZMOX-HXUWFJFHSA-N 343.455 5.398 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)nc2C)c(C)c1 12985336 ZMCKFMHLKGCDCZ-UHFFFAOYSA-N 330.431 5.235 0 40 EKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757643 CYEFAPPINMVDDD-UHFFFAOYSA-N 345.471 5.508 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 20488178 ILNZPDPMRNJDOD-SFHVURJKSA-N 339.822 5.289 0 40 EKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 22532761 GHZWDSRBOGWQPO-SNAUHIFDSA-N 341.454 5.413 0 40 EKAB Cc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1C 24040477 LGGBBPAPVIURJE-UHFFFAOYSA-N 327.387 5.101 0 40 EKAB CCCCOc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1 35672130 HZDJYEHDZVKDME-UHFFFAOYSA-N 328.799 5.236 0 40 EKAB Fc1ccc(NC(=S)Nc2cc(Cl)ccc2F)c(Cl)c1 71761771 GQAYNOYLTGMGSP-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 225038159 QEXAJZCGYURHPG-CYBMUJFWSA-N 345.870 5.137 0 40 EKAB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@H](C)C1 225665199 OKQJRBIUHSLRNV-KKSFZXQISA-N 347.499 5.096 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3cccc(Cl)c3)CCCC2)cc1 225844491 UKCINKSFHBLONG-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c(C)s1 408580616 PZFKPPROYGUTTA-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Oc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCCCC3 408993999 XYPDALKYCWHTPJ-OUKQBFOZSA-N 336.460 5.226 0 40 EKAB CC[C@H](C(=O)c1c(F)cc(Br)cc1F)c1ccccc1 575362516 SNFGKQIUQHOKRH-LBPRGKRZSA-N 339.179 5.104 0 40 EKAB Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1C 180507 UJQHZQZWLZAVKF-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccc4ccccc34)cc21 332756 KKIJKYZDCDBGGJ-UHFFFAOYSA-N 343.426 5.666 0 40 EKAB CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2[C@@H](C)CC)c1 367256 SKDQPRZJOICKNR-HNNXBMFYSA-N 338.451 5.191 0 40 EKAB Clc1cccc(CSc2nnc(C3CC3)n2-c2ccccc2)c1 2624723 JOCVQFNUALQKFK-UHFFFAOYSA-N 341.867 5.090 0 40 EKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 2633171 ADIBFAHILLDTCB-UHFFFAOYSA-N 349.044 5.481 0 40 EKAB CCc1cc2c(cc1C(=O)CCN1CCCC1)C(C)(C)CCC2(C)C 4323717 KJGOYIPIRNNQJA-UHFFFAOYSA-N 341.539 5.267 0 40 EKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccccc23)cc1 4970027 WWEXPERAQPIONV-UHFFFAOYSA-N 349.437 5.858 0 40 EKAB COc1ccc([C@H](CCNCc2ccccc2F)CCC(C)C)cc1 5501472 IKBAGCXPDJAYIB-IBGZPJMESA-N 343.486 5.534 0 40 EKAB Clc1ccc(-c2[nH]c3ccccc3c2-c2ncc[nH]2)c(Cl)c1 8135254 BTZHCACRHMODKT-UHFFFAOYSA-N 328.202 5.532 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(-n2cccc2)c1 11329955 BAFWRWWRNZWOOD-UHFFFAOYSA-N 332.447 5.163 0 40 EKAB Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1C 12978934 RJPXVFYMFMJCGB-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13709348 YSHNTVNTRJIBOB-QGZVFWFLSA-N 347.458 5.588 0 40 EKAB O=C(CSCc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 20481922 DCPZIXGSTKALCN-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB Cc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 44849613 NGKILQMLNAJIKO-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB Brc1ccc(Oc2ccccc2)cc1Br 71256932 SUUJFDKVPDCZQZ-UHFFFAOYSA-N 328.003 5.004 0 40 EKAB Clc1cc(Cl)c2oc(-c3ccccc3Br)nc2c1 73639102 IKSGIMRKXWQVLY-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB Cc1ccsc1CCC(=O)NCc1ccccc1-c1ccsc1 96122913 XSBKBRRAPVAEGW-UHFFFAOYSA-N 341.501 5.034 0 40 EKAB CCC1(CC)C[C@@H](NC(=O)c2cc(C)ccc2C)c2ccccc2O1 222765096 OZUHOKXSWBHEKS-LJQANCHMSA-N 337.463 5.116 0 40 EKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 225511811 OHDHEAPRSYFMJN-UHFFFAOYSA-N 337.463 5.234 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225746703 FSXBYRZUSKGVAU-OAQYLSRUSA-N 349.515 5.406 0 40 EKAB CSc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 426796 CZWRMZNDFSJMCU-UHFFFAOYSA-N 337.492 5.468 0 40 EKAB CCC(=O)c1cn(CCOc2ccc(Cl)c(C)c2)c2ccccc12 560744 IFLANDINCLUJNU-UHFFFAOYSA-N 341.838 5.275 0 40 EKAB Cc1cccc(CSC2=Nc3cc(Cl)ccc3SCC2)c1 1386904 RRQXPONIVMOGKQ-UHFFFAOYSA-N 333.909 6.108 0 40 EKAB Cc1ccc(Oc2ncccc2COC(=O)Nc2ccccc2C)cc1 3105760 FKFDFNMKXADWLF-UHFFFAOYSA-N 348.402 5.239 0 40 EKAB CC(C)CC[C@]1(CCNCc2ccccc2)CCO[C@H](C(C)C)C1 4073288 TWEHSWBPHIACBO-VXKWHMMOSA-N 331.544 5.424 0 40 EKAB biogenic Cc1cccc(Oc2ccc3[nH]c(C(=O)Nc4ccccc4)cc3c2)c1 4702637 NIZLTIHMKCLWDY-UHFFFAOYSA-N 342.398 5.521 0 40 EKAB S=C(Nc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 5375163 SDPVTHCWWPHZEV-UHFFFAOYSA-N 345.880 5.272 0 40 EKAB Cc1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1 5547832 GDFCFEXUFBTNAL-UHFFFAOYSA-N 333.416 5.402 0 40 EKAB CCCC[C@H](CC)CNC(=O)CC(c1ccccc1)c1ccccc1 6043085 PQSLHVWSXJXPRU-IBGZPJMESA-N 337.507 5.541 0 40 EKAB O=C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(F)(F)F 6242389 BHAZFZTVVLBUIV-UHFFFAOYSA-N 349.333 5.190 0 40 EKAB Cc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 7094384 LGKAGUBKRAUDRQ-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB O=C(Nc1ccnn1C1CCCC1)c1cccc(Oc2ccccc2)c1 7671098 DECBUPDMVGSYJM-UHFFFAOYSA-N 347.418 5.043 0 40 EKAB CC(C)c1ccc(NC(=O)CSc2cccc3ccccc23)cc1 32692095 JWQNEVZJVMDWOE-UHFFFAOYSA-N 335.472 5.694 0 40 EKAB CC(C)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 57412053 IIMDWTSWPPDUTN-UHFFFAOYSA-N 339.826 5.106 0 40 EKAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)c1ccc(F)cc1F 59926780 YJKNNIAEPSTTGD-GFCCVEGCSA-N 345.418 5.016 0 40 EKAB CN(Cc1ccccc1NC(=O)C=C1CCCCC1)C1CCCCC1 65775105 NWRIMJHYDAIEJM-UHFFFAOYSA-N 340.511 5.280 0 40 EKAB C[C@@H]1CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C2=C(O)C1 102602619 XYEDVGVPJYMUIT-ZMZPIMSZSA-N 335.432 5.015 0 40 EKAB CC1(C)CC2=Nc3ccccc3N[C@H](/C=C/c3ccccc3)C2=C(O)C1 103521924 ISSFRFQZURTZEU-JXOMPUQVSA-N 344.458 5.899 0 40 EKAB CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1Cl 106979569 ATFIGINWTAUYBG-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 224970925 ZANXMEZACDTVKN-UHFFFAOYSA-N 335.834 5.497 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N1[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 230090863 YSCXRXOBOHVHEX-XMTFNYHQSA-N 332.875 5.305 0 40 EKAB O=C(CSCc1cccc(F)c1)Nc1ccc(Cl)c(Cl)c1 408600828 GKSSGLYPBQMGSY-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB Cc1cc(OCc2ccccc2)ccc1C(=O)C[C@H](C)CC(C)(C)C 575356792 AFCPZGGJVDOSRP-KRWDZBQOSA-N 338.491 6.219 0 40 EKAB COc1ccc([C@@H](c2c(C)[nH]c3ccccc23)N2CCCCC2)cc1 72164 VLCZJVCINUKQMY-QFIPXVFZSA-N 334.463 5.060 0 40 EKAB Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)cc1 180041 OBQKPNLMGDFCPS-MRXNPFEDSA-N 338.259 5.080 0 40 EKAB CCOc1ccc(NC(=O)C[C@@H](Cc2ccccc2)c2ccco2)cc1 489305 SXLVDVFIDYKDHJ-GOSISDBHSA-N 349.430 5.033 0 40 EKAB biogenic c1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3[nH]2)cc1 554284 RCMSJXASIBFGKS-UHFFFAOYSA-N 335.410 5.663 0 40 EKAB CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1cccc(Cl)c1 2191436 MCFWJZMZMHGIAU-UHFFFAOYSA-N 337.916 5.352 0 40 EKAB ClC(=C\c1ccccc1)/C=N/N=C/C(Cl)=C/c1ccccc1 2559267 SHRQTSDSSHHVMU-SAHJKQPNSA-N 329.230 5.603 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(OCc4ccccc4Cl)c23)C1 2633405 IDDKMYHUDMKWQA-LLVKDONJSA-N 344.867 5.049 0 40 EKAB CC[C@@H]1CCCCN1C(=O)c1cc2sc3ccccc3c2s1 3183991 KFJXRLDYWVIYGU-GFCCVEGCSA-N 329.490 5.521 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1 4667792 AXBIALVJPYXKJH-MRXNPFEDSA-N 333.406 5.543 0 40 EKAB Cn1c(C(=O)N(C2CCCCC2)C2CCCCC2)cc2sccc21 4971172 IVZRLKAAMZWWMS-UHFFFAOYSA-N 344.524 5.347 0 40 EKAB CCCCCCn1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 5030279 QOLKVFJBJUTVAG-UHFFFAOYSA-N 344.462 5.535 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C 5427194 OMUMQXPIWUEEEG-YNQVVEIXSA-N 330.556 6.881 0 40 EKAB biogenic Cc1ccc(Sc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1 5814737 CDNYNMZLOATBDF-UHFFFAOYSA-N 347.365 5.017 0 40 EKAB Fc1ccccc1COc1cccc(CNC2CCCCCCC2)c1 7523350 FGIRWSQSOBMNCR-UHFFFAOYSA-N 341.470 5.607 0 40 EKAB CC(C)(C)[C@H]1CCc2c(sc3nc(C4CCCCC4)[nH]c(=O)c23)C1 13534395 IBDCYXWLERSRJC-ZDUSSCGKSA-N 344.524 5.183 0 40 EKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1C(C)C 20034373 IFVFCJPWIGSAQG-UHFFFAOYSA-N 330.284 5.021 0 40 EKAB Cc1nc(Nc2ccccc2Sc2ccccc2)sc1C(=O)O 20156578 NJQJUPNLBPRYBX-UHFFFAOYSA-N 342.445 5.045 0 40 EKAB Cc1ccc(-c2c(C)nn3c(NC4CCCCC4)cc(C)nc23)cc1 23114980 OUGTUDIYPOFHCL-UHFFFAOYSA-N 334.467 5.066 0 40 EKAB C[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(-n2ccnc2)cc1 26307415 IIDJVTOECIROSS-CYBMUJFWSA-N 346.261 5.030 0 40 EKAB COc1ccc(/C=C2/CCCC3=C2CO[C@@H]3c2ccc(OC)cc2)cc1 51330047 WYRYRDDQXIQAGU-INTAXFPDSA-N 348.442 5.339 0 40 EKAB Cc1cc(Br)ccc1C(=O)c1cccc2ccccc12 79904001 QEHYJISXGFWWJR-UHFFFAOYSA-N 325.205 5.142 0 40 EKAB CCc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 216913321 UEMNKQPKNOUOMR-UHFFFAOYSA-N 335.632 5.208 0 40 EKAB CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21 409113383 AODKUIXUFVRGGJ-AQTBWJFISA-N 349.817 5.507 0 40 EKAB COc1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 409116929 MNVFLYBWSOZHNH-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB C[C@@H](CC(=O)c1cccc(OCc2cccc(F)c2)c1)CC(C)(C)C 575357270 BDUSAUAQNFOBAL-INIZCTEOSA-N 342.454 6.050 0 40 EKAB CC(C)C(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 173856 SAYSWOIAFOSAIS-UHFFFAOYSA-N 335.519 5.444 0 40 EKAB Cc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)c(C)c1 241339 YEMLIEPPACBKMX-UHFFFAOYSA-N 332.447 5.302 0 40 EKAB Cc1c(C2=CCCCC2)c(C2=CCCCC2)c(C)n1C[C@@H]1CCCO1 2659425 OJDJMLWFJLOHBA-NRFANRHFSA-N 339.523 6.199 0 40 EKAB CCCCS[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1 3117144 APXUIYCXVCMYTJ-JKSUJKDBSA-N 326.889 5.341 0 40 EKAB c1ccc(Cn2c3c(c4ccccc42)CCOc2ccccc2-3)cc1 4123380 RBUWCJWEJNNFQO-UHFFFAOYSA-N 325.411 5.292 0 40 EKAB Cn1c2ccccc2c2cc(/C=C/c3nc4ccccc4s3)ccc21 4409627 RXVWEZAHOZYBAH-ACCUITESSA-N 340.451 6.112 0 40 EKAB COc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 4713696 RVDAJHXWXZEGPL-NRFANRHFSA-N 328.415 5.051 0 40 EKAB c1ccc2[nH]c(CCCCCCCCCC[C@H]3COCCO3)nc2c1 4816115 NVVLMJSEXVMBJQ-SFHVURJKSA-N 344.499 5.032 0 40 EKAB Cc1ccc2cc(CNc3ccc(C)c(Cl)c3)c(Cl)nc2c1 5007311 GQDNAVRLSXCRBU-UHFFFAOYSA-N 331.246 5.771 0 40 EKAB c1coc(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c1 6757350 NZWQVOFFEZGWCA-FQEVSTJZSA-N 349.411 5.366 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 7264162 QMPVZLCRTRGQDZ-UHFFFAOYSA-N 345.870 5.568 0 40 EKAB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccc(Cl)c3)sc2C1 8586823 QRLORHYUMDVHRP-LBPRGKRZSA-N 348.899 5.200 0 40 EKAB CCCCN(CCCC)Cc1c(C)nc2ccc(CC)cc2c1O 8714067 CZGNEBQKHRTZFS-UHFFFAOYSA-N 328.500 5.213 0 40 EKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccccc5)c23)CCC[C@H]4C)C1 12610184 IYMHJHAPFIDFFU-LSDHHAIUSA-N 347.527 6.528 0 40 EKAB Cc1ccc([C@H](NC(=O)Nc2ccccc2F)c2cccs2)cc1 12782375 GCCHAOVYFKQVRO-SFHVURJKSA-N 340.423 5.107 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(C)cc(C)cc1C 20110779 HLQFUGIMQCFDAL-NRFANRHFSA-N 347.458 5.561 0 40 EKAB Cc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1Cl 20238081 ZWQUPEKSPQCCPC-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CC(C)(C)c1ccc(CNC(=O)Nc2cccc3ccccc23)cc1 30836396 NQNLSHBENZJIOY-UHFFFAOYSA-N 332.447 5.459 0 40 EKAB Cc1ccc(Nc2nc(CN[C@@H](C)c3ccccc3F)cs2)cc1 32665021 YFNITCKKWKBGHS-AWEZNQCLSA-N 341.455 5.185 0 40 EKAB Cn1c([C@H](SCc2ccccc2)c2ccccc2)nc2ccccc21 35167693 AJUNEYXSZFEOFK-OAQYLSRUSA-N 344.483 5.596 0 40 EKAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 44841910 OKLMFHNVKVLPOY-MDNBWPLSSA-N 335.491 5.492 0 40 EKAB Cc1cccc(C(=O)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)c1 62049581 OXWINNYZTUIZAB-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB O=C(O)c1ccc2cc(-c3ccc4cc(C(=O)O)ccc4c3)ccc2c1 65734826 HWEIPTRZTZNYNO-UHFFFAOYSA-N 342.350 5.056 0 40 EKAB in-vitro CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2sc3ccccc3c2Cl)C1 100986948 PFBJGCVIEMIYDM-BLVKFPJESA-N 347.911 5.596 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 223390537 MPPISEKHCDFDMY-UONOGXRCSA-N 327.921 5.153 0 40 EKAB CC(C)c1ccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)cc1 225046527 KUOGOUYLWOIVBL-NRFANRHFSA-N 334.415 5.038 0 40 EKAB CC(C)c1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1 226250382 VQSYXUOIASBCKI-UHFFFAOYSA-N 332.447 5.241 0 40 EKAB Clc1ccccc1Cn1c(COc2ccccc2)nc2ccccc21 92319 VVFLDMPVXJYJMH-UHFFFAOYSA-N 348.833 5.317 0 40 EKAB Fc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(F)cc2)cc1 509336 YQHTUBWTKGAXAW-UHFFFAOYSA-N 338.382 5.750 0 40 EKAB CSc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 1400995 OAZIXUGWESAAGO-UHFFFAOYSA-N 336.338 5.144 0 40 EKAB Cc1ccccc1NP(=O)(Oc1ccccc1)Oc1ccccc1 1712133 UJEPASNMYKNFKJ-UHFFFAOYSA-N 339.331 5.673 0 40 EKAB CCCC(C(=O)NC1CCCCC1)(c1ccccc1)c1ccccc1 2183327 XVOFXKPSBHNDIX-UHFFFAOYSA-N 335.491 5.222 0 40 EKAB Cc1cccc(C)c1CCC(=O)c1ccc(Br)cc1F 2517610 BRCQOBJYAYNQKY-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB Cc1ccc(Nc2nnc(SCc3ccccc3F)s2)cc1 3469901 AIIIFJLNHLVAGT-UHFFFAOYSA-N 331.441 5.022 0 40 EKAB Cc1ccc(/C=C(\Oc2ccccc2)c2nc3ccccc3s2)cc1 3849563 JXEWAZMMVUWQMH-HKWRFOASSA-N 343.451 6.182 0 40 EKAB Clc1ccc(/C=C/c2nc(-c3ccccc3)c3ccccn23)cc1 3892611 SNJNYMKJOGOJLT-SDNWHVSQSA-N 330.818 5.825 0 40 EKAB O=C(Oc1ccccc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 4380261 UISZISYXWGZLKX-UHFFFAOYSA-N 332.443 5.475 0 40 EKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc[nH]2)N3)C1 4554576 RJOQLVBDKJFCIO-ZBEGNZNMSA-N 343.496 5.046 0 40 EKAB CCCCOc1ccc(/C=C/c2cc(C)c3cccc-3c(C)c2)cc1 4603329 UQXOKTBMVJBDAC-MDZDMXLPSA-N 330.471 6.758 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3cc(C)ccc3C)o2)cc1 5013695 QAPDIEJSYYAEON-UHFFFAOYSA-N 335.403 5.036 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 5951207 UQTVIXMFNRUPFQ-UHFFFAOYSA-N 325.452 5.515 0 40 EKAB COc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1O 6859734 XJLXCEHETAESBT-XYOKQWHBSA-N 343.382 5.379 0 40 EKAB CCc1ccccc1-n1c([C@@H]2C[C@@H]2c2ccc(C)cc2)n[nH]c1=S 6871114 YYRNPNSRUBJHDG-IAGOWNOFSA-N 335.476 5.072 0 40 EKAB CCc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 8392088 GWYQXUPBHKDPGS-HNNXBMFYSA-N 333.431 5.153 0 40 EKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 8499925 UXPSDGWZPZSINR-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 8902962 JCAUFBMRYZWSHF-UHFFFAOYSA-N 346.386 5.464 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 13709957 UVZBPEQLXVPAJW-CQSZACIVSA-N 331.843 5.089 0 40 EKAB CCOc1cccc(OCCCOc2ccc([C@H](C)CC)cc2)c1 14084363 OLFUSFAMNKRNOA-QGZVFWFLSA-N 328.452 5.447 0 40 EKAB Cc1ccc(/C(=C\CN2CC3CCC(CC3)C2)c2ccccc2)cc1 17378375 AJIOVTVUJXMFQG-IWIPYMOSSA-N 331.503 5.549 0 40 EKAB CCOc1ccc(NC[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 19737675 PNUPFAUTABSNGH-MJGOQNOKSA-N 341.495 5.868 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 30851461 YWMADULBJMNKFN-VQTJNVASSA-N 339.479 5.056 0 40 EKAB Fc1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c(F)c1F 48234629 GPGQWMOAHOFYCF-UHFFFAOYSA-N 338.716 5.024 0 40 EKAB NCCCCCCCCCCCCCCCC(=O)C1CCCCC1 98088101 RYVGWQDLAVSRHO-UHFFFAOYSA-N 337.592 6.556 0 40 EKAB O=C(c1ccco1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 102005219 ZELKVBCDHILATF-IMFGXOCKSA-N 343.854 5.035 0 40 EKAB COc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(Cl)c1 106971145 SXXKUEHJSZIINF-UHFFFAOYSA-N 330.642 5.576 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(C)C 222985993 ZASUGPGLNMXUEN-HXUWFJFHSA-N 325.452 5.223 0 40 EKAB Cc1cc(C)cc(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 225842492 GZRSYZILHTXBLH-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB Cc1ccc(-c2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 254560 VWSPCEALQPOMOO-UHFFFAOYSA-N 325.415 5.218 0 40 EKAB O=C(c1ccccc1Cl)N1c2ccccc2CCc2ccccc21 308173 CUCXTEFLQGDMGA-UHFFFAOYSA-N 333.818 5.417 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)c2ccccc2)C1(C)C 1414677 ZMTZIUYTBVUPBL-WIYYLYMNSA-N 346.474 5.036 0 40 EKAB CCCCN(CCCC)C[C@H](O)c1ccc(-c2ccccc2)cc1 1683583 ADIOZUAFIPJRTL-QFIPXVFZSA-N 325.496 5.289 0 40 EKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccccc2)cc1 1858212 PTFKIHSLVXVXPV-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB Fc1c(F)c(F)c(CSc2nc3ccccc3s2)c(F)c1F 2171249 HFTNCCNDKYJRQK-UHFFFAOYSA-N 347.333 5.284 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 2654459 FRVYEAKDSCGKFN-HNNXBMFYSA-N 347.458 5.616 0 40 EKAB CCOc1ccc(Oc2ccc(NC(=O)c3cccs3)cc2)cc1 3325544 GKKZVFDZMPPREM-UHFFFAOYSA-N 339.416 5.191 0 40 EKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2ccccc2)cc1 3334603 DSPDRRSAUQODJM-JOCHJYFZSA-N 327.427 5.161 0 40 EKAB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\CC[C@@H](C)O 5296452 OMRDSKNXJYXBEL-ZTBCMVHYSA-N 332.572 6.673 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 7599130 PPMFBQUKJUEHMM-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 8317636 SGAMLHIXOQTBGZ-UHFFFAOYSA-N 343.426 5.264 0 40 EKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)[C@H](C)CCC3)cc1 12970708 YHTDCACDHPVNEY-CQSZACIVSA-N 333.500 6.200 0 40 EKAB Clc1c(CN2CCC[C@H]2c2cccs2)sc2ccccc12 14077703 VVWLNYLFXAHGML-ZDUSSCGKSA-N 333.909 5.953 0 40 EKAB CCc1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 20491997 ZOSNQADTBPUSQY-FQEVSTJZSA-N 333.431 5.198 0 40 EKAB COc1ccc([C@@H](C)Nc2nc(-c3ccccc3)cs2)cc1F 78254029 OBUJWQPJPAAWFS-GFCCVEGCSA-N 328.412 5.131 0 40 EKAB CCc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 102644445 BGIWTANGNMTPFP-JOCHJYFZSA-N 346.474 6.120 0 40 EKAB CCc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255595 IBCHRIVNBICWHM-UHFFFAOYSA-N 341.414 5.045 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C)c(C)c2)C(C)C)c(C)c1 225763174 RGMPTVZJPQGIGK-FQEVSTJZSA-N 340.536 5.604 0 40 EKAB Cc1ccc(-c2nnc(SC(=O)c3ccc4ccccc4c3)o2)cc1 408600005 QPTIXOHVVKVRDB-UHFFFAOYSA-N 346.411 5.131 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc(OCc2ccccc2)cc1 238166 CMUZBYUOKDYBAU-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1cccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 558339 VANGKEIUSRQBDO-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 4247986 WIPFNUCTWXNWNH-KSSFIOAISA-N 338.457 5.052 0 40 EKAB CCCO[C@H](C)CC(c1ccccc1)(c1ccccc1)c1ccccc1 5369271 KCFDIOXFUIPSLM-OAQYLSRUSA-N 344.498 6.226 0 40 EKAB COc1ccc(C(=O)C[C@H](Nc2ccc(C)cc2)c2ccccc2)cc1 6389634 NRDJRTDNHDRCAE-QFIPXVFZSA-N 345.442 5.430 0 40 EKAB Cc1cccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)c1C 14075598 BODMUIYDKFISIA-UHFFFAOYSA-N 334.394 5.438 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(C)cc(C)cc1C 20041297 RADNWKSRHCRQFM-IBGZPJMESA-N 325.452 5.025 0 40 EKAB Cc1cccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)c1 27663938 SMSUPFGUTKQFAZ-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB CC(C)(C)[C@]1(c2ccccc2)NC(=O)SC2(CCCCC2)S1 28293929 QKNMVAPNIFXKOI-GOSISDBHSA-N 335.538 5.736 0 40 EKAB C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nc3ccccc3s2)s1 84689465 PMJXRUMWPLIBQS-VXGBXAGGSA-N 342.489 5.038 0 40 EKAB O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)Nc1ccccc1 100970381 OYJKKFPHGIIPIE-AYJAPBJVSA-N 345.486 5.553 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)cc(C)cc1C 222955336 COXMDMMFZQOSDS-SFHVURJKSA-N 325.452 5.025 0 40 EKAB Brc1ccc(-c2csc3c4ccccc4cc[n+]23)cc1 162429 DWFCSYZANLKZDU-UHFFFAOYSA-N 341.253 5.070 0 40 EKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C)cc1C 949548 YZBXKPMGCICYOF-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB Nc1ccc(SC(Sc2ccc(N)cc2)c2ccccc2)cc1 1718186 IKVXMJYXTYGQBH-UHFFFAOYSA-N 338.501 5.434 0 40 EKAB Cc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccccc2)cc1C 2198573 DSCOMJANGBSKAC-UHFFFAOYSA-N 342.417 6.167 0 40 EKAB Cc1cccc(CCC(=O)c2ccc(Br)cc2F)c1C 2517454 BFPSFUKDICOOOJ-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB COc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 3333781 ZOVRCPHRMKAMFC-UHFFFAOYSA-N 347.414 5.059 0 40 EKAB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1cccs1 3893301 UZEWAGNQYRDKJM-FQEVSTJZSA-N 345.423 5.243 0 40 EKAB CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@H](C)C2 4194466 DSQCVNRTKUBFCI-JTQLQIEISA-N 342.489 5.108 0 40 EKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccco2)N3)C1 4553415 GOAGNGBAMUIQJP-ZBEGNZNMSA-N 344.480 5.311 0 40 EKAB c1ccc(-c2cc(-n3c(-c4ccccc4)nc4ccccc43)n[nH]2)cc1 5071747 MKRCERGNSZERFN-UHFFFAOYSA-N 336.398 5.083 0 40 EKAB O=C(O)c1cc(-c2ccc(-c3ccccc3)o2)nc2ccc(Cl)cc12 5234065 ZFZWLPCIOBPBSC-UHFFFAOYSA-N 349.773 5.513 0 40 EKAB COc1ccc([C@@H](CCNCc2ccc(F)cc2)CCC(C)C)cc1 5478173 BCCMXXQUOBKZGJ-HXUWFJFHSA-N 343.486 5.534 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1Cl 5567487 IYQCFHYEAQJXCI-UHFFFAOYSA-N 335.017 5.553 0 40 EKAB O=C(Cc1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1 6215470 LFUZBKKZUIZDMR-UHFFFAOYSA-N 337.806 5.314 0 40 EKAB O=C(/C=C/c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 6339281 OLMZBXHKKKTTBE-DTQAZKPQSA-N 345.417 5.068 0 40 EKAB OCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 17068505 XWIQSHYFWNCPKK-UHFFFAOYSA-N 333.214 5.218 0 40 EKAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1c(C)cccc1C 22073128 SRTYWDSKQJHXLN-UHFFFAOYSA-N 345.446 5.311 0 40 EKAB COc1ccc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)cc1 36620668 HUBBJLBQZWHXDU-GOSISDBHSA-N 344.842 5.026 0 40 EKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccccc1 59055216 YIJOGKDDTKCFEK-UHFFFAOYSA-N 347.458 5.585 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C 59351130 XUMLCRFYDPTTFO-SFHVURJKSA-N 329.443 5.461 0 40 EKAB CSc1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1 71761351 DLMYFGGNDJZGGS-UHFFFAOYSA-N 343.304 5.524 0 40 EKAB COc1ccc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cc1 78401379 INTAKHXBZPHQED-UHFFFAOYSA-N 345.229 5.050 0 40 EKAB Clc1cc(Cl)cc(Nc2nc3ccc(Cl)cc3s2)c1 89065172 SBEHDEJNUKNKDA-UHFFFAOYSA-N 329.639 6.000 0 40 EKAB C[C@H]1CCC[C@H](C)N1Cc1ccc2oc(-c3ccccc3F)nc2c1 216790576 SPPOFYSUIKUVCG-GJZGRUSLSA-N 338.426 5.397 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(C)cc1C 219314448 PZXCDYWYCFYWQF-UXHICEINSA-N 339.479 5.037 0 40 EKAB Brc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1 226247601 HCHQAWCRMQUHNK-UHFFFAOYSA-N 339.192 5.048 0 40 EKAB CCCCSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 409094964 APGFWPILOMELIL-UHFFFAOYSA-N 337.492 5.059 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 262356 IDPPQNIJFLMUSW-KPKJPENVSA-N 347.801 5.891 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(SCc4ccccc4F)c23)C1 351727 CMWSDWHPYRYSII-NSHDSACASA-N 344.480 5.248 0 40 EKAB Cc1ccc2c(-c3oc4ccc(Cl)cc4c3C)cc(=O)oc2c1C 491191 WPZHJPAPHSAEDT-UHFFFAOYSA-N 338.790 5.785 0 40 EKAB biogenic CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(C)c1C 949547 AZSWYFIEHMTHTC-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB Clc1cc(Cl)c(Cl)c(-c2cccc(Cl)c2Cl)c1 2566934 SUBRHHYLRGOTHL-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)oc2c(Cl)cccc12 2633650 WBXZMRYQUXIBQA-ZDUSSCGKSA-N 341.838 5.146 0 40 EKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccco2)N3)C1 4553417 GOAGNGBAMUIQJP-MEDUHNTESA-N 344.480 5.311 0 40 EKAB CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 5034934 ACCMBSIBIMDLQG-BRFBUHTJSA-N 332.447 5.137 0 40 EKAB CCn1nc(C)c2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 6635532 IYHVJLFMGVGZFL-UHFFFAOYSA-N 345.437 5.165 0 40 EKAB Cc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccccc3C)C2)cc1 9135142 YAKBLUNQUMVLHL-HXUWFJFHSA-N 347.487 5.424 0 40 EKAB Cc1occc1-c1nnc(SC(c2ccccc2)c2ccccc2)o1 9647919 XYHVFAZPUQKKGL-UHFFFAOYSA-N 348.427 5.520 0 40 EKAB CC1=C(C)[C@@H](c2cn(C)c3ccccc23)N(CCC2=CCCCC2)C1=O 9668378 KFXQKIZYRDGNBJ-QFIPXVFZSA-N 348.490 5.289 0 40 EKAB CCc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 11666856 DDZHPRWCPMJUNS-UHFFFAOYSA-N 337.394 5.219 0 40 EKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)c(F)c1 22250858 CXJXIEBRCOGYNS-UHFFFAOYSA-N 336.552 5.177 0 40 EKAB CCCc1cc(Nc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 27584899 ILSHSXWNUMMBFJ-UHFFFAOYSA-N 342.446 5.401 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc(F)cc(F)c1 28210543 YHHYRXDVTCAKSQ-UHFFFAOYSA-N 341.382 5.368 0 40 EKAB Cc1cc([C@H](C)N[C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 95421265 ZOZDPQHMZLIPPJ-QWHCGFSZSA-N 341.480 5.135 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1Cl 98071608 YEPNREFOKFLQCG-UHFFFAOYSA-N 349.139 5.656 0 40 EKAB COc1cccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1 100629484 TXYPIKAHPVRXEF-NRFANRHFSA-N 348.446 5.567 0 40 EKAB CCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCCCC1 225710310 SDRFQEQRCAGEKG-KRWDZBQOSA-N 347.499 5.159 0 40 EKAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc2ccccc2c1 408586264 MJQUKOWWOIZQGU-UHFFFAOYSA-N 325.795 5.144 0 40 EKAB c1ccc([C@@H]2OC(c3cccc(C4CC4)n3)=N[C@@H]2c2ccccc2)cc1 2297735863 GJFIGMWTXXEXPF-YADHBBJMSA-N 340.426 5.218 0 40 EKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1 72556 YSLUWEWRFJAPAX-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 563648 NMHZOIICFUCHRU-MRXNPFEDSA-N 327.493 5.546 0 40 EKAB O=C(CSCc1ccccc1Cl)Nc1ccc(F)c(Cl)c1 567296 RUSAJYMUWHQNPS-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB O=C(Nc1nc2c(ccc3ccccc32)s1)Nc1ccccc1F 1764001 NHFGKPGNWKMZEL-UHFFFAOYSA-N 337.379 5.233 0 40 EKAB COc1ccc([C@H](c2ccccc2OC)C(Cl)(Cl)Cl)cc1 2034464 KNLLPAOBVIKLDE-OAHLLOKOSA-N 345.653 5.206 0 40 EKAB in-vitro CCCCc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 3327866 RSSBNFKWLQBDHF-CSKARUKUSA-N 342.489 5.352 0 40 EKAB CCCCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3897248 ZZYHOBAMQWWWPE-UHFFFAOYSA-N 336.460 5.606 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 5424584 LKMSJKHXTNIZMI-QGZVFWFLSA-N 347.483 5.073 0 40 EKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCC1 6221386 ATTHTPGDVUZPPQ-UHFFFAOYSA-N 346.502 5.339 0 40 EKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OC 6844714 DAFHVKXBHRUVCJ-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB COc1ccccc1-c1csc(Cc2nc3ccccc3s2)n1 7275044 PZWYXPUFTAVNDX-UHFFFAOYSA-N 338.457 5.019 0 40 EKAB CC[C@@H](C)Oc1cccc(NC[C@H](C)Oc2ccccc2Cl)c1 19737556 XMRCLSBCRDCUIQ-CABCVRRESA-N 333.859 5.397 0 40 EKAB CCCCCNc1cc(C)nc2c(-c3ccccc3Cl)c(C)nn12 23114938 ZKDQIWNLCPFECP-UHFFFAOYSA-N 342.874 5.269 0 40 EKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1 30860259 YIEZTYHZOZCKOW-YLJYHZDGSA-N 339.479 5.153 0 40 EKAB O=C(/C=C/c1cccc2ccccc12)N(Cc1ccccc1)C1CC1 31097874 BABATZZSWAETTJ-DTQAZKPQSA-N 327.427 5.044 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1cc2ccccc2o1 35212824 LQMAQAPIUFUJIE-QXMHVHEDSA-N 345.423 5.761 0 40 EKAB O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccccc1Br 38784574 FOUQHYSCENXYCT-IBGZPJMESA-N 339.232 5.198 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc2ccccc12)c1ccccc1 59351716 YKZWIDFKDRLUQT-LEWJYISDSA-N 347.458 5.265 0 40 EKAB CCCCc1ccc(NCn2nc(-c3cccs3)oc2=S)cc1 59488494 MCHMJAXYARGENE-UHFFFAOYSA-N 345.493 5.346 0 40 EKAB Cc1cc2nc(-c3ccc(Cl)cc3Br)oc2cc1C 73638144 KKCZJDMMCIZCSL-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB CC[C@@H](C)Oc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C 95915474 TWQWNBARRZKQGA-GFCCVEGCSA-N 341.333 6.221 0 40 EKAB COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](C)CC(O)=C32)cc1 102664348 FVKJUSYQFKEVKI-ZSEKCTLFSA-N 334.419 5.177 0 40 EKAB CC(C)C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccccc1 216485662 LSNGHSZDAWKINC-SFHVURJKSA-N 347.911 5.336 0 40 EKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OC 409112643 FMUONTNACVSBPD-UHFFFAOYSA-N 340.250 5.321 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N1c2ccccc2CCc2ccccc21 169745 GRTLJUPIKBGDKL-UHFFFAOYSA-N 348.833 5.809 0 40 EKAB CCc1c(C)c2cc3c(-c4cccc(OC)c4)coc3c(C)c2oc1=O 488937 DRSHVUUQVVBWKD-UHFFFAOYSA-N 348.398 5.394 0 40 EKAB biogenic O=C(c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C1CC1 555749 JAHDHXHWPWIKNN-UHFFFAOYSA-N 327.786 5.075 0 40 EKAB Cc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)c(C)c1 2135951 MKTVCFIAAAJXQW-UHFFFAOYSA-N 328.459 5.329 0 40 EKAB Clc1ccc(CSCCCCO[C@@H]2CCCCO2)cc1Cl 2381210 GOGXMMDKEWLTBV-MRXNPFEDSA-N 349.323 5.550 0 40 EKAB Clc1cc(Cl)c2c(Cl)cc(Cl)c(Cl)c2c1Cl 2384284 SFZREMCYQNYZMZ-UHFFFAOYSA-N 334.844 6.760 0 40 EKAB Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl 2521626 GGMPTLAAIUQMIE-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB in-vitro CSc1ccccc1C(=O)Nc1nc2ccc(C(C)C)cc2s1 4517471 NEUUHYODCLGBHS-UHFFFAOYSA-N 342.489 5.394 0 40 EKAB CCCOCCC(c1ccccc1)(c1ccccc1)c1ccccc1 5369272 YFKMIJNOIWNUHY-UHFFFAOYSA-N 330.471 5.838 0 40 EKAB C/C=C/CCCCCCCC(=O)OC(C)(C)C(Cl)(Cl)Cl 5412858 RIGGNZANGWBVNN-SNAWJCMRSA-N 343.722 5.985 0 40 EKAB CCCCN(CCCC)CC[C@@H](O)c1ccc(OC)c2ccccc12 5973415 WYVNVBBCQZIRJQ-OAQYLSRUSA-N 343.511 5.174 0 40 EKAB CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc(C)c1C 6356735 XTPAZRMNSUKYIE-VZCXRCSSSA-N 342.895 5.739 0 40 EKAB Cc1nc2ccccc2nc1COc1ccc2oc3c(c2c1)CCCC3 6668161 ORAKFLBKQMRELP-UHFFFAOYSA-N 344.414 5.142 0 40 EKAB Cc1ccc([C@@H](Nc2ncnc3sccc23)c2cccs2)cc1 7907581 AEIUPDDPFVRQKM-MRXNPFEDSA-N 337.473 5.263 0 40 EKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 13710735 YWMLYBAMBPEEID-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Clc1ccc2oc(-c3cnc4cc(Cl)c(Cl)cc4n3)cc2c1 16431166 FOTDGWRTSHHTRY-UHFFFAOYSA-N 349.604 6.003 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 30756976 WAKXPDSARWKXCI-MRXNPFEDSA-N 325.452 5.087 0 40 EKAB Cc1nnc(Oc2ccc(Nc3ccccc3)cc2)c2ccccc12 32907672 WMAKSJWNCNQNKL-UHFFFAOYSA-N 327.387 5.474 0 40 EKAB c1ccc(CN2CCCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 72214044 CKAAWAFQTHHUJB-JOCHJYFZSA-N 349.522 5.553 0 40 EKAB Cc1ccc(C)c(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1 225028563 HCMCGQUQJAPJIA-QFIPXVFZSA-N 346.426 5.045 0 40 EKAB CCCCc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225129019 QQXUGNJHQKBBMI-NRFANRHFSA-N 340.463 5.029 0 40 EKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)cc1F 225343457 BUHQTAPPLQDTIE-UHFFFAOYSA-N 333.790 5.053 0 40 EKAB CC(C)C[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccccc1 225493867 DSCIYOONEBLOAS-MRXNPFEDSA-N 334.435 5.039 0 40 EKAB S=C(NCCCSC1CCCCC1)Nc1cccc(Cl)c1 225589727 SFZWVANEPWEWON-UHFFFAOYSA-N 342.961 5.082 0 40 EKAB Cc1cccc(NC(=O)c2ccc(CSCc3ccccc3)cc2)c1 408785708 YIUWNOFXPANJPV-UHFFFAOYSA-N 347.483 5.681 0 40 EKAB CCOc1ccc(CNc2ccc(CC)cc2)cc1Br 409110164 STXPCDXSMWJHMC-UHFFFAOYSA-N 334.257 5.022 0 40 EKAB C[C@@H]1CCCc2sc3nc(SCc4ccccc4)nc(N)c3c21 72808 XOLKRWBHYCTXPJ-LLVKDONJSA-N 341.505 5.006 0 40 EKAB CCOC(=O)c1c(C)oc2ccc(OCc3cccc(Cl)c3)cc12 83682 KUNRJLHCTMGQIF-UHFFFAOYSA-N 344.794 5.150 0 40 EKAB biogenic Cc1ccc(-c2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 188939 WTRNWWVXPLUIFQ-UHFFFAOYSA-N 327.431 5.115 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2ccccc2)C1(C)C 1414678 ZMTZIUYTBVUPBL-NQIIRXRSSA-N 346.474 5.036 0 40 EKAB Cc1ccc(C)c(CCC(=O)c2ccc(Br)c(F)c2)c1 2517550 MTIRNZIVWVPROQ-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB CCC(CC)[C@H]1Nc2c(C(=O)O)cc(Cl)cc2[C@H]2[C@H]3CC[C@H](C3)[C@H]21 4722535 CQASREBRZYVQSE-CEIJYURPSA-N 347.886 5.398 0 40 EKAB CCc1ccccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 5034774 QTYKUBPVNUMIFY-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2c(Cl)cccc2Cl)cc1 5383816 WYSKKSIYTDTYOS-FMIVXFBMSA-N 348.273 5.943 0 40 EKAB Cc1ccc(N2C(=N)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1C 5618120 CIIGYMKZTDHMGT-UDIJICLVSA-N 342.851 5.013 0 40 EKAB O=C(c1c[nH]c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 7279083 ALVUGXAPJHXTMY-NRFANRHFSA-N 326.399 5.204 0 40 EKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc2ccccc2o1 7644120 LMPXRDURUKGSPT-VAWYXSNFSA-N 340.382 5.251 0 40 EKAB COc1cc(C)c(/C=C\C(C)=C\C=C/C(C)=C\C(=O)O)c(C)c1C 11677004 IHUNBGSDBOWDMA-PAGWLINDSA-N 326.436 5.167 0 40 EKAB Cc1ccc2nc(SCc3nc(-c4ccccc4)oc3C)[nH]c2c1 12260372 QFAMGUVAVPEBOG-UHFFFAOYSA-N 335.432 5.127 0 40 EKAB Clc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 12971041 JIKSJQZKGGZWOA-UHFFFAOYSA-N 343.817 6.032 0 40 EKAB C[C@H]1Cc2ccccc2N1C(=O)c1cc2c(ccc3ccccc32)o1 13648152 QJSNLFOWFZJQPF-AWEZNQCLSA-N 327.383 5.177 0 40 EKAB CCOc1ccccc1NC(=O)CCc1ccc(-c2ccc(C)cc2)o1 15867461 CEVVJGHLRMFKBF-UHFFFAOYSA-N 349.430 5.225 0 40 EKAB Cc1ccc([C@H](NC(=O)Cc2ccc(C)c(C)c2)c2ccccc2)cc1 22513308 HCIYLXCIHBZUNO-XMMPIXPASA-N 343.470 5.060 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1C 38771874 JEVRHOOXHPZXQJ-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CCc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1 39892927 DJSWBCQRCCIQRU-UHFFFAOYSA-N 341.838 5.447 0 40 EKAB Cc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1 39892982 JJYJYUBNIHHOGJ-UHFFFAOYSA-N 327.811 5.193 0 40 EKAB Cc1cc(C)c2oc(C(=O)Nc3ccc(C(C)C)c(C)c3)cc(=O)c2c1 72427554 DRWRDZGMDVGUHO-UHFFFAOYSA-N 349.430 5.094 0 40 EKAB O[C@H](c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 109783161 CTTBXGCWPRXIGO-IBGZPJMESA-N 339.232 5.198 0 40 EKAB Fc1cc(Cl)c(-c2nc3cc(-n4cccc4)ccc3o2)cc1F 226248670 OKRORKIPBOBEJZ-UHFFFAOYSA-N 330.721 5.217 0 40 EKAB Cc1ccc(C)c(NCc2ccccc2OCc2ccccc2F)c1 409120309 TVNXIJWKJJZUQW-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CCSc1nnc(-c2cccc3ccccc23)n1-c1ccccc1 46841 YSOPSLSUZJHSQG-UHFFFAOYSA-N 331.444 5.200 0 40 EKAB CCc1cccc(CC)c1NC(=O)CSc1ccc(Cl)cc1 75245 PRENDXKVBBZROS-UHFFFAOYSA-N 333.884 5.196 0 40 EKAB CC(C)(C)c1ccc(C(=O)OCc2cc(Cl)nc(Cl)c2)cc1 165975 IYPUYSDAPXFNDR-UHFFFAOYSA-N 338.234 5.043 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3ccccc3c2)c1 348255 NUQIORYHGXYMLO-UHFFFAOYSA-N 333.431 5.289 0 40 EKAB Cc1cc(-c2nc3ccccc3nc2Cl)sc1-c1ccccc1 2069283 MNRQDBDWQVDDOL-UHFFFAOYSA-N 336.847 5.987 0 40 EKAB Cc1ccc(C(C)C)c(OC(=O)c2ccc(-c3ccccc3)cc2)c1 3140081 WIZVKNOUIYOAEW-UHFFFAOYSA-N 330.427 6.005 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2ccccc2)nc2sccn12 3910025 VATXLHDWXLFARS-UHFFFAOYSA-N 333.460 5.677 0 40 EKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3ccccc3)nc12 4678463 QXYFOVFDJYPGEP-UHFFFAOYSA-N 349.437 5.674 0 40 EKAB c1coc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)c1 5776490 OXGGEQXKVAINQP-HRAATJIYSA-N 331.440 5.810 0 40 EKAB O=C(O)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1 6252850 IUTXAOMTHPWCKB-KPKJPENVSA-N 331.396 5.318 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1Cl 6880741 WINXETHPAKOFRX-UHFFFAOYSA-N 328.214 5.533 0 40 EKAB Clc1cccc(Cl)c1CSc1nnc(C2CCCCC2)o1 8038330 DLCCZXCIQGVHRW-UHFFFAOYSA-N 343.279 5.716 0 40 EKAB O=C(CSc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 8391148 ARVXHAFFEUPBOB-UHFFFAOYSA-N 347.483 5.008 0 40 EKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 9141358 CYDBXZUSDULTDF-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB O=c1cc(COc2ccc3oc4ccccc4c3c2)c2ccccc2[nH]1 12360169 VBUDBRGIXOIRGI-UHFFFAOYSA-N 341.366 5.007 0 40 EKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1 13708902 KBCHTGFBOKQYPK-INIZCTEOSA-N 341.410 5.399 0 40 EKAB Fc1ccccc1COc1cccc(CNC2CCCCCC2)c1 16450044 UWXXOLFMPDSUHW-UHFFFAOYSA-N 327.443 5.217 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(C)C)cc1 44841854 ZWJGSTVZPBHWFT-OAQYLSRUSA-N 347.458 5.759 0 40 EKAB C1=C[C@H](c2ccccc2)N2[C@H](C(c3ccccc3)=N1)[C@H]2c1ccccc1 104145791 JPUIYIOUQXRCMW-OCIBWFQJSA-N 336.438 5.170 0 40 EKAB CC(C)c1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225046875 OXJQELSKOWQTQE-QGZVFWFLSA-N 334.868 5.251 0 40 EKAB CCOc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1 225492279 BASXLZQLRHSKMU-LJQANCHMSA-N 342.508 5.159 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225704631 NCOHZYUNZXERPU-UTKZUKDTSA-N 349.515 5.486 0 40 EKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225739987 XHFVEZVKNLYZAG-JXFKEZNVSA-N 335.488 5.096 0 40 EKAB CC(C)c1ccc(C(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)cc1 226355835 VFKCQJZMAIJZER-UHFFFAOYSA-N 349.386 5.021 0 40 EKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccccc1 409121546 WOVWOUBPPVRCAH-UHFFFAOYSA-N 347.458 5.503 0 40 EKAB Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 202887 NUZCYXGMCPEHFY-SIKLNZKXSA-N 344.414 5.139 0 40 EKAB O=C1C[C@@H](c2csc(-c3ccc(Cl)cc3)n2)C2(CCCCC2)O1 496262 OKXJSHJTFIUVQY-AWEZNQCLSA-N 347.867 5.197 0 40 EKAB Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c2c1CCC(C)(C)O2 2101579 ZQMVVXLOEHJBDU-UHFFFAOYSA-N 348.442 5.104 0 40 EKAB biogenic Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1cccnc1Cl 3301125 OIAHMQWNGRJXSW-UHFFFAOYSA-N 331.843 5.006 0 40 EKAB Cc1cccc(C)c1N(C(=O)c1ccco1)c1nc2ccccc2s1 3409110 WCEBEKBNJUYVLB-UHFFFAOYSA-N 348.427 5.485 0 40 EKAB CCc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1 3449178 UDPZMIIESLBSCF-UHFFFAOYSA-N 345.398 5.166 0 40 EKAB Cc1cccc(Oc2ccc(NC(=O)/C=C/c3ccco3)cc2)c1C 4554173 XPJMVSPFEPUUAL-OUKQBFOZSA-N 333.387 5.341 0 40 EKAB CCCc1cc(=O)oc2cc(C)c3c(-c4ccc(OC)cc4)coc3c12 5235551 ILWDXRDZLZWEGS-UHFFFAOYSA-N 348.398 5.476 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1sc2ccccc2c1Cl 6125545 OBVBQWSDYUIZCE-UHFFFAOYSA-N 343.879 5.932 0 40 EKAB CC(C)(C)CC(C)(C)NCc1ccc(-c2ccc(F)c(Cl)c2)o1 6857402 HOBFHOAHPNOHHB-UHFFFAOYSA-N 337.866 6.044 0 40 EKAB CCc1cccc(C)c1NC(=O)c1cc(Cl)cc(Cl)c1OC 14258149 PTBBJOJYFDOXSO-UHFFFAOYSA-N 338.234 5.125 0 40 EKAB C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 15539458 KCIGDOIIHXFOOT-GOSISDBHSA-N 329.443 5.116 0 40 EKAB C[C@H](CNc1cc(Cl)ccc1Cl)Oc1ccccc1Cl 19738059 SBDJGOIJRYKEOJ-SNVBAGLBSA-N 330.642 5.526 0 40 EKAB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 67192381 OATYIEDHCNBZAK-UHFFFAOYSA-N 343.470 5.795 0 40 EKAB CC(C)(C)Sc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72217350 LKIHMVDUKUHZFG-SFHVURJKSA-N 326.509 5.309 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ccsc2)CC1 75157143 FUHXFEMMKDNPOJ-UHFFFAOYSA-N 347.483 5.435 0 40 EKAB Fc1c(Cl)ccc2c(Br)cc(-c3ccccc3)nc12 82048820 YMEXONZAFHUNBH-UHFFFAOYSA-N 336.591 5.457 0 40 EKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1(c2ccccc2)CCCC1 96655756 GRBKABILXDHCOF-UHFFFAOYSA-N 348.490 5.127 0 40 EKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(C)cc1C 218963134 DJGMHLVPHKXEFS-NRFANRHFSA-N 339.479 5.073 0 40 EKAB Cc1c(Cl)cccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225324627 ONOZAJKYZLKLNZ-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225535035 BKQUOZUHTUIGGP-UHFFFAOYSA-N 337.463 5.234 0 40 EKAB Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)c1 408775138 ZGUYZGGKEYRPSW-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(Cl)cc1 559148 VTXRSVFHIAGCOS-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB O=C(C[C@@H](SCc1ccccc1)c1ccccc1)c1ccccc1 1561999 ZSWKQXBGCDLDBC-JOCHJYFZSA-N 332.468 5.934 0 40 EKAB ClC(Cl)(/C=C/c1ccc(Br)cc1)c1ccccc1 2053446 GJSIGFOLMRNUIL-ZHACJKMWSA-N 342.063 5.793 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1ccc(C2CCCCC2)cc1 3101254 CKTJHUQNQWXJPA-UHFFFAOYSA-N 329.443 6.140 0 40 EKAB C[C@H]1CC[C@@H]2c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 3999059 MIAAJFLJFWAPKY-HTAPYJJXSA-N 330.475 5.019 0 40 EKAB biogenic C=C1c2cc(OCC)ccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 5608167 YBPNIQYKXJOGNP-UHFFFAOYSA-N 349.217 5.415 0 40 EKAB Cc1ccc(NC(=O)[C@H](SC2CCCC2)c2ccccc2)cc1 7777245 NVGMZXMVDATPPA-LJQANCHMSA-N 325.477 5.351 0 40 EKAB Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)c(C)c1 13820618 CTHHBEKJMDRGTP-UHFFFAOYSA-N 346.499 5.379 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20111207 LTMBCPGTWAPBHO-INIZCTEOSA-N 325.452 5.339 0 40 EKAB O=C(O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21 28297157 YKHNFCLPQHLTKA-UHFFFAOYSA-N 341.410 5.450 0 40 EKAB CSc1ccc(Cl)c(C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 30836509 VHDINRDCYFVICN-NEPJUHHUSA-N 325.905 5.007 0 40 EKAB O=C(CCSC/C=C/c1ccccc1)Nc1ccc(Cl)cc1F 32778724 UOEAEMGSBVGSOY-QPJJXVBHSA-N 349.858 5.254 0 40 EKAB O=C(CCc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 40995095 YGFIXJFXCNGKLS-UHFFFAOYSA-N 349.861 5.178 0 40 EKAB Fc1ccc(SCc2ccc(OCc3ccccn3)cc2)cc1F 60059189 KSPZIFQHLBQUCU-UHFFFAOYSA-N 343.398 5.231 0 40 EKAB Cc1cc2oc(C(=O)Nc3ccc(C(C)C)c(C)c3)cc(=O)c2cc1C 72427557 CQPSQURUTIUPEU-UHFFFAOYSA-N 349.430 5.094 0 40 EKAB CC(C)c1ccc2oc(-c3ccc(Br)cc3F)nc2c1 73638233 PYKKWKOOKDXQIP-UHFFFAOYSA-N 334.188 5.520 0 40 EKAB Cc1ccc(F)cc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 96171218 NTHNOHWJQUCNGC-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB C[C@@H](c1ccccn1)N(C)C(=O)Nc1sc2ccccc2c1Cl 96406761 JENUBUMAYNDEGK-NSHDSACASA-N 345.855 5.175 0 40 EKAB O=C1[C@@H]2C[C@H](c3ccccc3)[C@@H]1C(c1ccccc1)=C2c1ccccc1 104121258 GXFFSDWELCIVMD-PQNGQFLHSA-N 336.434 5.600 0 40 EKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225736446 RJZNUXWDGHGGOY-NRFANRHFSA-N 349.515 5.261 0 40 EKAB Cc1ccccc1C1(NC(=S)Nc2ccc(F)cc2F)CCCC1 225857129 SFGKWSWHSDTVOR-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@H]32)c(C)c1 252394306 FWYWHXFRKQRPHK-YSPKDYEOSA-N 337.507 5.879 0 40 EKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1C 409112806 DCVIGRLKAAJEIS-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1 36291 SFODDILKGLAIRW-SJLPKXTDSA-N 337.463 5.424 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2nc(C)sc2c1 179370 GCDYBODHULAGFR-UHFFFAOYSA-N 348.427 5.019 0 40 EKAB Clc1ccc(-c2cn3cc(Br)ccc3n2)cc1Cl 494889 WBCUXTKEIVNLNS-UHFFFAOYSA-N 342.023 5.071 0 40 EKAB Cc1c(-c2ccccc2Cl)c(=O)oc2c(Cl)cc(Cl)cc12 2576883 AMTCKNCHKPTQDC-UHFFFAOYSA-N 339.605 5.729 0 40 EKAB biogenic C[C@@H](c1ccco1)N(C(=O)Nc1ccc(Cl)cc1)c1ccccn1 3242426 UTFDDOKVAYAJPK-ZDUSSCGKSA-N 341.798 5.128 0 40 EKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2ccccc2)cc1 3334602 DSPDRRSAUQODJM-QFIPXVFZSA-N 327.427 5.161 0 40 EKAB Clc1ccc(C2=NN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 4671378 MACIUSNYYANAKR-OAQYLSRUSA-N 346.861 5.344 0 40 EKAB O=C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccncc1 4707033 PIHPOQFALSHSON-UHFFFAOYSA-N 349.433 5.299 0 40 EKAB Cc1cc(Nc2ccc(Cl)cc2)n2nc(C)c(-c3ccccc3)c2n1 5323895 XYCNNPQHIWFUTF-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB Cc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 6238379 AFJOREYFEPXNCS-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB C[C@@H](NC(=O)CCSc1ccccc1)c1ccc(C(C)(C)C)cc1 13670462 CNMGGRYHEDRCHQ-MRXNPFEDSA-N 341.520 5.344 0 40 EKAB CN(C(=O)c1ccccc1SCc1ccccc1)C1CCCCC1 22518534 WOBYVRUHIAVTHP-UHFFFAOYSA-N 339.504 5.384 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3F)o2)cc1C 33027698 CXPGXNIDJAHQAZ-UHFFFAOYSA-N 337.394 5.274 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCCC 33938876 FVYDLXGAUHZBJE-ZMDWBYSWSA-N 346.555 7.085 0 40 EKAB c1ccc(CS[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1 35167690 FTZHOTKKJKZULU-FQEVSTJZSA-N 330.456 5.586 0 40 EKAB c1ccc(C(c2ccccc2)c2ccc3c(c2)Cc2ccccc2-3)cc1 90751342 JUBUISNZXUSURY-UHFFFAOYSA-N 332.446 6.438 0 40 EKAB CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc([C@@H](C)SC)c1 96415970 PIZLMXOYKOHRCT-RDTXWAMCSA-N 343.496 5.121 0 40 EKAB CCN(CC12CC3C[C@H](CC[C@@H](C3)C1)C2)C(=O)c1cccc(Cl)c1 101024457 ZEJNQNYMQJZRRZ-BVRFTUQKSA-N 345.914 5.409 0 40 EKAB CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 216150695 WIINBJZPDGFPEV-QHCPKHFHSA-N 343.470 5.871 0 40 EKAB Clc1ccccc1-c1nc2cc(CN3CCCCC3)ccc2o1 216798897 WWFDRAWEGKXVPG-UHFFFAOYSA-N 326.827 5.134 0 40 EKAB CCC1(CC)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2O1 225766341 FCLZWFUNNMCJSO-KRWDZBQOSA-N 343.854 5.152 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C)cc(C)cc1C 408677246 AUHTZDOEOVIAMZ-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 364495 NPUZHZTWDRYPOO-CQSZACIVSA-N 329.871 5.589 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)CSc1ccccc1Cl 3243527 SFHVIROBAAILJB-ZDUSSCGKSA-N 333.884 5.584 0 40 EKAB CC(C)Oc1ccc([C@@H](CCNCc2ccco2)c2ccccc2)cc1 4029661 VMSYGQHTCFNZBG-QHCPKHFHSA-N 349.474 5.379 0 40 EKAB biogenic CC(C)CC[C@H](CCN1Cc2ccccc2C1)[C@@H]1CCOC(C)(C)C1 4090127 USBHRYGJIWUWPF-WOJBJXKFSA-N 343.555 5.650 0 40 EKAB biogenic COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 4187203 IIWCGGYOWGNBJS-QFIPXVFZSA-N 328.415 5.051 0 40 EKAB Cc1cc(Cl)ccc1OC(=O)c1cccc(Oc2ccccc2)c1 6527816 NEKSGTIFCFCMDT-UHFFFAOYSA-N 338.790 5.660 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1OCC 6880743 SCAPQYOBFCTZRE-UHFFFAOYSA-N 337.822 5.279 0 40 EKAB Cc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 12979979 WLHCVGVZMJECMJ-SFHVURJKSA-N 340.423 5.107 0 40 EKAB COC(=O)CCCCCCCCCCCCCCCCCCCO 14449693 OCCHBWCFXPQLRX-UHFFFAOYSA-N 342.564 6.174 0 40 EKAB biogenic Cc1ccc(C)c(CSc2nccn3nc(-c4ccccc4)cc23)c1 16842534 HUWWREPDGBQCHS-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)cc1 22071966 NBSUIGMWVDJUOH-UHFFFAOYSA-N 349.409 5.340 0 40 EKAB Cc1ccccc1NC(=O)c1cccnc1Nc1ccc(Cl)cc1 22072502 AXNAYPFOXJEIPQ-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB C(=C\c1cc(-c2cc(/C=C\c3ccccc3)[nH]n2)n[nH]1)\c1ccccc1 31772015 HHSWSLOQIXLUAS-XSYHWHKQSA-N 338.414 5.141 0 40 EKAB c1ccc(CS[C@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1 35167691 FTZHOTKKJKZULU-HXUWFJFHSA-N 330.456 5.586 0 40 EKAB Cc1cc(C)c2nc(Nc3ccc(C(=O)OC(C)C)cc3)cc(C)c2c1 41127857 DTCHOGWHIGICHZ-UHFFFAOYSA-N 348.446 5.469 0 40 EKAB Cc1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 58564014 JURKNPAKQJNUQT-UHFFFAOYSA-N 347.258 5.285 0 40 EKAB CC(C)[C@@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918401 XEYPENAQHMKGCE-GFCCVEGCSA-N 345.352 5.073 0 40 EKAB Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(SC(F)F)cc1 95968011 OQMDZDRJRLCFNJ-VHSXEESVSA-N 326.412 5.018 0 40 EKAB C[C@@H]1CC2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2=C(O)C1 101885471 UCWKEZUTBRUCLX-ODXCJYRJSA-N 339.435 5.987 0 40 EKAB CCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C 225736405 VCJAUBTXKKCIQL-NRFANRHFSA-N 349.515 5.262 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(SCc4ccccc4)c23)C1 98869 VXHINJYXOVPRLB-LBPRGKRZSA-N 326.490 5.108 0 40 EKAB CCc1cccc(C)c1NC(=O)c1ccc(OCc2ccccc2)cc1 513711 KPGBVZWJSNHFAO-UHFFFAOYSA-N 345.442 5.389 0 40 EKAB O=C(CN1CCCCC1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 1594906 UOABAPJUJLLAFB-SNAWJCMRSA-N 339.866 5.179 0 40 EKAB CCN(CC)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 1648051 IVFIBCGOUZXKQS-UHFFFAOYSA-N 331.843 5.047 0 40 EKAB CCCCC[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1C 2746981 RKRCWYIZMHXIAB-LBPRGKRZSA-N 334.847 5.002 0 40 EKAB CC(C)CC[C@H](CCNCc1ccc(OC(C)C)cc1)c1ccco1 4085398 NILBKBHOFCDFCE-HXUWFJFHSA-N 343.511 5.767 0 40 EKAB biogenic CCCO[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4292888 BLNQANGFOGHVAO-UQOPEDAQSA-N 330.512 5.314 0 40 EKAB O=C(O)C1(C[C@@H](CCCN2CCCCC2)c2ccccc2)CCCC1 6575714 OMGWSFIOYLICKQ-HXUWFJFHSA-N 343.511 5.071 0 40 EKAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccccc1Cl 7640714 AYONXUNCJJUDCB-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB CCOc1cc(CN[C@@H](C)CC)ccc1OCc1ccccc1Cl 8326736 BGEKYUNVVRDAMO-HNNXBMFYSA-N 347.886 5.206 0 40 EKAB Cc1cc2ccccc2n1CC(=O)Nc1ccccc1-c1ccccc1 12516819 JIIPUKKKTBFQIR-UHFFFAOYSA-N 340.426 5.255 0 40 EKAB CCCCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1OC 14257868 FWIPHJXYEBXZFR-UHFFFAOYSA-N 340.448 5.101 0 40 EKAB C[C@@H](NCc1nc2ccccc2s1)c1ccc(Cl)cc1Cl 15447490 HOYKDNKVTLGNMT-SNVBAGLBSA-N 337.275 5.454 0 40 EKAB CC(C)CCOc1cccc(NCc2cccc(OC(C)C)c2)c1 19738375 SFKBHAUMCYTYOO-UHFFFAOYSA-N 327.468 5.511 0 40 EKAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C 32768067 VDSXGGDDKMZVHE-UHFFFAOYSA-N 333.387 5.048 0 40 EKAB Cc1cc(SCc2nccn2Cc2ccccc2)nc2ccccc12 58670141 CJHBLGHZHHHKIY-UHFFFAOYSA-N 345.471 5.080 0 40 EKAB CCN(C(=O)c1ccc2ccccc2n1)[C@@H](C)c1cc2ccccc2o1 95369433 YEBANDPWXRFELM-HNNXBMFYSA-N 344.414 5.204 0 40 EKAB CC(C)Sc1ccccc1C(=O)NCc1cccc2ccccc12 222878943 LSSZKYHWNCCIFM-UHFFFAOYSA-N 335.472 5.270 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 223390420 MPPISEKHCDFDMY-ZIAGYGMSSA-N 327.921 5.153 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224598204 XKWINSQMLUWMGS-UHFFFAOYSA-N 343.470 5.633 0 40 EKAB Cc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 225379718 VNZAGFPOFLMDCS-CYBMUJFWSA-N 336.262 5.112 0 40 EKAB CCCC[C@](C)(OC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225620851 YOOPGHAHZJAVQS-JXFKEZNVSA-N 335.488 5.015 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225624004 XULMSRQQDXAQLW-UZLBHIALSA-N 335.488 5.096 0 40 EKAB Cc1ccc2ccccc2c1NC(=O)COc1cccc2ccccc12 411593 SXIWNERFBRYBKR-UHFFFAOYSA-N 341.410 5.319 0 40 EKAB Clc1ccccc1Cn1cnc(-c2ccccc2)c1-c1ccccc1 540279 LJNSYOSOUREJCT-UHFFFAOYSA-N 344.845 5.919 0 40 EKAB Cc1ccc(-c2cc(C(=O)N(C(C)C)C(C)C)c3ccccc3n2)o1 2743146 CTLKFJMOHLJEOZ-UHFFFAOYSA-N 336.435 5.062 0 40 EKAB C[C@H](c1ccco1)N(C(=O)Nc1ccc(Cl)cc1)c1ccccn1 3242427 UTFDDOKVAYAJPK-CYBMUJFWSA-N 341.798 5.128 0 40 EKAB Cc1ccc(-c2nc3ncccn3c2Nc2cccc(Cl)c2C)cc1 4734037 LBQHLEILLZDUDF-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB O=C(Nc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 6495982 GVHDNQOOGAUQFP-UHFFFAOYSA-N 338.794 5.776 0 40 EKAB CC(C)CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6537739 DVNGPKSFELEPFW-UHFFFAOYSA-N 333.884 5.018 0 40 EKAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 13774793 UAGMQKABAZIUBA-MRXNPFEDSA-N 340.536 5.649 0 40 EKAB CC(C)c1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1 13820279 KSWSOHDJSBNQII-INIZCTEOSA-N 326.509 5.118 0 40 EKAB Clc1ccc(C2=N[C@@H](c3ccccc3)N3[C@@H]2[C@H]3c2ccccc2)cc1 36378021 JTMWJVWEVLMMNX-YKSPXJAFSA-N 344.845 5.267 0 40 EKAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3ccsc3)co2)c(C)c1 48285791 NDVLXZMGJFVHHR-LJQANCHMSA-N 338.476 5.357 0 40 EKAB Cc1cc([C@@H](C)N[C@@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 95421262 ZOZDPQHMZLIPPJ-OLZOCXBDSA-N 341.480 5.135 0 40 EKAB CCCO[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118915165 FZEADSGDYUIZQS-CPDXTSBQSA-N 332.528 5.105 0 40 EKAB O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 226293306 QITJVAZUMCLDLR-IBGZPJMESA-N 329.226 5.742 0 40 EKAB Cc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)CC[C@@H]1C(C)(C)O2 257226958 FMZGQJWBDQITOM-RCZSKKKRSA-N 336.475 5.635 0 40 EKAB COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 325553515 SVINARFCXFAXLI-UHFFFAOYSA-N 339.822 5.753 0 40 EKAB Cc1cc(C(=O)c2cc(Cl)cc(Cl)c2)ccc1Br 408603001 PPGKQVHLBHVUBC-UHFFFAOYSA-N 344.035 5.295 0 40 EKAB CCCc1sc(Nc2ccc(F)cc2)nc1-c1ccc(OC)cc1 408753498 AHGBAEBCRZPTST-UHFFFAOYSA-N 342.439 5.654 0 40 EKAB COc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1 409118716 QQTXTAXYVJUTOM-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB Clc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 203628 SNRFLKUMUSWVSF-IBGZPJMESA-N 331.806 5.329 0 40 EKAB Cc1sc(NC(=O)C2CCCCC2)nc1-c1cccc(Cl)c1 1791023 MWGFYPRBUXTJJK-UHFFFAOYSA-N 334.872 5.291 0 40 EKAB Cc1cc2nnc(SCc3ccc(Cl)cc3)n2c2ccccc12 1927639 UUPFLOQAAFLFHJ-UHFFFAOYSA-N 339.851 5.137 0 40 EKAB O=C(c1ccccc1CN1CCCCC1)c1cccc(Cl)c1Cl 2515526 MZEHULYMFISHME-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 3112747 GTNHDIHEEKTKJT-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Clc1cccc(Oc2nnc(Cc3ccccc3)c3ccccc23)c1 3133426 NDDSDOPPDHHDJM-UHFFFAOYSA-N 346.817 5.666 0 40 EKAB Cc1cc(C)c(NC(=O)c2nc(-c3ccco3)sc2C)c(Cl)c1 12891581 ODHJYSIEJBSXQR-UHFFFAOYSA-N 346.839 5.234 0 40 EKAB FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 13786501 JOPTVGDWVBOMKO-UHFFFAOYSA-N 330.762 5.168 0 40 EKAB Cc1cc(OCCNc2ccc(OCC(C)C)cc2)cc(C)c1Cl 19738153 ZOJHFANPILTVIF-UHFFFAOYSA-N 347.886 5.483 0 40 EKAB C[C@H](Sc1nc(-c2ccccc2)cs1)c1nc(C(C)(C)C)no1 24046285 WMOQFXFTVCQFGE-NSHDSACASA-N 345.493 5.344 0 40 EKAB Cc1ccsc1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 32788017 QIDCMEKTKNEMNA-UHFFFAOYSA-N 341.407 5.027 0 40 EKAB CCCC[C@@H](CC)CNC(=O)c1cc(Br)ccc1Cl 70134273 ZZCZVZPPTXXQLC-LLVKDONJSA-N 346.696 5.049 0 40 EKAB Fc1ccc(NC(=S)Nc2cc(F)ccc2Cl)c(Cl)c1 71761746 NEJQKUSHWYCLKP-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Cc1ccc(Oc2ccc3c4c(cn3C)-c3ccccc3C(=O)c24)cc1 85409356 VUPDBYUMIDPTOC-UHFFFAOYSA-N 339.394 5.490 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cl)ccc1F 95917338 BSHNWYBDDGIIPG-UHFFFAOYSA-N 326.754 5.502 0 40 EKAB CC(=O)Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 100809775 YYLQCSCENNWMHF-AYJAPBJVSA-N 345.486 5.435 0 40 EKAB CCc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 102673066 AXXFFQHXWDLKEP-OAQYLSRUSA-N 343.430 5.270 0 40 EKAB CC(C)(C)c1cc(C(C)(C)C)c(N[Si](C)(C)C)c(C(C)(C)C)c1 169876408 SWUWRUQQNBTATO-UHFFFAOYSA-N 333.636 6.826 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3cccc(C(F)(F)F)c3)nc2c1 199797809 GYBVATXASANUHA-UHFFFAOYSA-N 333.353 5.735 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)NC1CC1 256089488 GLGAUBPACOBAMV-BHVWNTRMSA-N 343.555 6.411 0 40 EKAB CCOc1ccc(NCc2cccc(OCc3ccc(C)cc3)c2)cc1 409122582 ZWZUFUCUPWLVQG-UHFFFAOYSA-N 347.458 5.585 0 40 EKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1Cl 72559 RMPIAPXQCDGMMG-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB CC(C)(C)c1cc(-c2cc(-c3ccccc3)on2)cc(C(C)(C)C)c1O 2226225 HTIBULNEKSQPPZ-UHFFFAOYSA-N 349.474 6.309 0 40 EKAB FC[C@@H]1CCCN(C2(c3cc4ccccc4s3)CCCCC2)C1 3651127 YFHOQGMMEMFUAQ-INIZCTEOSA-N 331.500 5.742 0 40 EKAB O=C(O[C@@H](c1cccs1)c1nccc2ccccc12)c1ccccc1 4661730 LWQGERWQQUQSAW-FQEVSTJZSA-N 345.423 5.243 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(-c2ccsc2)n1 7807923 GIUXYZXCZGXTHI-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB COc1cccc(Nc2nnc(S[C@@H](C)c3ccccc3)s2)c1 7983455 UFWZVSDCBBBABE-LBPRGKRZSA-N 343.477 5.144 0 40 EKAB CCC(C)(C)c1ccc(Oc2ccc(Br)cc2N)cc1 14631021 JGGRHISZBQAARA-UHFFFAOYSA-N 334.257 5.511 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc3cccnc23)c1 15835449 YBDIDUQLMJBXRM-MRXNPFEDSA-N 348.446 5.073 0 40 EKAB O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1cc2ccccc2o1 22017639 JNJCGICISDLLEA-OAQYLSRUSA-N 342.398 5.344 0 40 EKAB COc1ccc(CNc2cccc(-c3nc4ccccc4o3)c2)cc1 45954120 WHZPSOAXVACNCB-UHFFFAOYSA-N 330.387 5.116 0 40 EKAB c1ccc(CCCCOCCCCCCNCc2ccccc2)cc1 79047665 JWLIKZBRVQRFNF-UHFFFAOYSA-N 339.523 5.376 0 40 EKAB in-vitro O=C(CSCc1ccccc1F)Nc1ccc(Cl)c(Cl)c1 408605161 XCXLMRKWANIZTG-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC3CCCCC3)n2c1 320033 LRXZXQDSQDKKOQ-UHFFFAOYSA-N 339.870 5.708 0 40 EKAB CC(C)(C)C(=O)C[C@@H](Cc1nccc2ccccc12)c1ccccc1 1562827 ATSWTCNBJBUDFF-LJQANCHMSA-N 331.459 5.566 0 40 EKAB Fc1cccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)c1 2309822 BABOPPVTQJOMKJ-UHFFFAOYSA-N 348.808 6.203 0 40 EKAB O=C(CCc1ccc(Br)cc1)c1ccc(F)cc1Cl 2517197 IBZNLSYMKGHYLU-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB CCCCOC(=O)Nc1sc2nc(C)cc(C)c2c1-n1cccc1 4052802 QAYOOSCGVATEPN-UHFFFAOYSA-N 343.452 5.052 0 40 EKAB CCn1cc(NC(=O)Nc2cccc(Cl)c2C)c2ccccc21 5266185 YPMFNTRUXWNRQZ-UHFFFAOYSA-N 327.815 5.267 0 40 EKAB CCC(=O)Nc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 5977776 RIWQNSPMMZIICQ-UHFFFAOYSA-N 337.448 5.211 0 40 EKAB CSc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 6152574 XWJRWWDZKABZBJ-UHFFFAOYSA-N 347.439 5.285 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 6654162 LCXRGVSCOYNMRD-MRXNPFEDSA-N 327.493 5.290 0 40 EKAB Cc1ccc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)cc1 6881606 HXGFSXUTVDBVJL-FOCLMDBBSA-N 327.427 5.238 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]2CCCC[C@H]21 16385387 NZYJYAAVXPTNRR-XHDPSFHLSA-N 327.255 5.180 0 40 EKAB COc1ccc(CCc2nc(-c3ccc(Cl)cc3)cs2)cc1 57523623 ALNOSDAGFNIZSK-UHFFFAOYSA-N 329.852 5.257 0 40 EKAB FC(F)(F)c1ccc(COCc2ccc(C(F)(F)F)cc2)cc1 79424832 LDGRTPLGYXKHRQ-UHFFFAOYSA-N 334.259 5.441 0 40 EKAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21OCCS1 118914911 JIFTUOBNCNREQG-QCQJMWNZSA-N 348.552 5.058 0 40 EKAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 223088071 CLCSYGATMHAJJU-OAHLLOKOSA-N 335.834 5.498 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 225367030 IZOIXAXQBGIJLG-UHFFFAOYSA-N 344.241 5.718 0 40 EKAB CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)c1 225711478 WIDZQGPPYKUEJO-LJQANCHMSA-N 342.508 5.140 0 40 EKAB Cc1ccc(Cl)cc1-c1ccc(-c2nc3ccccc3s2)o1 409188890 BRDKSAMJABVXEF-UHFFFAOYSA-N 325.820 6.185 0 40 EKAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccccc1 363575 MOJZFOSZVUDPGA-VIFPVBQESA-N 344.625 5.053 0 40 EKAB O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 483256 YFRNACWMNXKWPZ-UHFFFAOYSA-N 349.044 5.230 0 40 EKAB CSc1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 1560655 VBJYYFHOVMJWBX-UHFFFAOYSA-N 342.247 5.635 0 40 EKAB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@@H](C)O 4026851 OMRDSKNXJYXBEL-IRFMZCNHSA-N 332.572 6.673 0 40 EKAB Fc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 5460014 VBKSOZNDTKACTA-FPOVZHCZSA-N 343.405 5.322 0 40 EKAB Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)o1 6054748 ITQKGNIFOWMHPD-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 6393221 HJKHCRDWMVHVML-BJMVGYQFSA-N 325.717 5.011 0 40 EKAB Clc1ccc2nc(-c3ccccc3)nc(NC3CCCCC3)c2c1 13633700 SZWQEWKADWPKEA-UHFFFAOYSA-N 337.854 5.695 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1C1CCCCC1 13942319 MCVHLAMKILAFGN-QFIPXVFZSA-N 344.458 5.354 0 40 EKAB CCc1ccc(-c2ccnc(-c3cc(Cl)cc(Cl)c3)n2)cc1 16162080 QXHCRWQLHOEVOV-UHFFFAOYSA-N 329.230 5.680 0 40 EKAB Cc1ncccc1C(=O)Nc1cc2ccccc2nc1C1CCCCC1 19582991 RVRPBIYHLLLVAT-UHFFFAOYSA-N 345.446 5.238 0 40 EKAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1 20457028 BZSQHMMNJIDTGB-APWZRJJASA-N 327.493 5.052 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 20612823 HBASRCAVKFNNIY-UHFFFAOYSA-N 340.275 5.746 0 40 EKAB CCCCC/C=C/C/C=C\CCCCCCCCCC(=O)OCC 33683180 PYVCCFLKWCNDQZ-UPDVNHGHSA-N 336.560 7.143 0 40 EKAB Cc1ccc([C@H](C)N(C)C(=O)c2ccc(OC3CCCC3)cc2)s1 84205240 JELHSTXSGDDJCO-HNNXBMFYSA-N 343.492 5.211 0 40 EKAB COc1ccc2nc(Nc3cc(Cl)cc(Cl)c3)sc2c1 105686287 LSDHAIAEGKWJBD-UHFFFAOYSA-N 325.220 5.355 0 40 EKAB Cc1cccc2nc(-c3cccc(-c4nc5cccc(C)c5o4)c3)oc12 216730215 YGCVGVUBOFBMSH-UHFFFAOYSA-N 340.382 5.920 0 40 EKAB Cc1cccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 225260985 GMJUEGIPTFIYRS-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225467116 PMAKKFPADMGKGT-MRXNPFEDSA-N 348.899 5.095 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(F)cc2Cl)c1 228956632 MUWYTSWUIGXTAH-UHFFFAOYSA-N 336.794 5.256 0 40 EKAB CC1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OC(=O)C[C@H]3C[C@@]21C 263597836 HFUSQUPYZTVTFP-DTPOTAEFSA-N 328.496 5.271 0 40 EKAB CC[C@@H](C)Cn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 299817112 DAZJHNOTFUBQMK-QGZVFWFLSA-N 341.454 6.072 0 40 EKAB in-vitro CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2F)cc1 408581920 ZXKHLLRKPWWVTP-UHFFFAOYSA-N 340.423 5.072 0 40 EKAB Cc1ccc(-c2[nH]c(=Nc3cccc(C(F)(F)F)c3)sc2C)cc1 408755821 NFUZUFBGLDYUEX-UHFFFAOYSA-N 348.393 5.611 0 40 EKAB C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1 36293 SFODDILKGLAIRW-AEFFLSMTSA-N 337.463 5.424 0 40 EKAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 63570 PSYWBQJMJXIMKJ-JOCHJYFZSA-N 342.442 5.329 0 40 EKAB Cc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 207463 PGCQOQXQJKPGBH-UHFFFAOYSA-N 345.265 5.625 0 40 EKAB CCc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 513627 GTWLPTHOYGCUIV-UHFFFAOYSA-N 331.415 5.080 0 40 EKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 568414 GEKKNDOGARSEHP-MDWZMJQESA-N 342.870 5.147 0 40 EKAB COc1ccc(Oc2cccc3c2[C@@H](O)C[C@@H]3c2ccccc2)cc1 1383490 ZSESMMUNDVHDRD-UXHICEINSA-N 332.399 5.057 0 40 EKAB CC(C)Oc1ccc([C@@H](CCN[C@@H](C)c2ccccc2)C(C)C)cc1 1825113 JUPPCYFYDOVKAA-CVDCTZTESA-N 339.523 5.954 0 40 EKAB CCCN(CCC)C(=O)C[C@H](c1ccc(OC(C)C)cc1)C(C)C 2250179 DLDZDANBESWWAU-FQEVSTJZSA-N 333.516 5.252 0 40 EKAB Cc1sc2ncnc(NCc3ccccc3)c2c1-c1ccccc1 2887000 NDYGXRAADIQCJK-UHFFFAOYSA-N 331.444 5.279 0 40 EKAB Clc1ccc(CSc2ncnc3c2oc2ccccc23)cc1 4106817 BDDKCTIZESVIED-UHFFFAOYSA-N 326.808 5.322 0 40 EKAB Cn1c(SCCOc2ccc(C(C)(C)C)cc2)nc2ccccc21 5126010 WSXSEOFHGYEGKS-UHFFFAOYSA-N 340.492 5.042 0 40 EKAB CCCCCCc1ccc2ccc(C(=O)CCCCC)c(O)c2n1 5393195 LVLQTZXSOHXZLF-UHFFFAOYSA-N 327.468 5.826 0 40 EKAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1C 6333691 WHBTYQULVRDYOZ-UHFFFAOYSA-N 339.291 5.097 0 40 EKAB Cc1ccc(CNc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 6566092 SKZYXQBEXHVGRI-UHFFFAOYSA-N 345.471 5.587 0 40 EKAB Cc1csc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 7195507 WPZOXZAWLNLONR-QGZVFWFLSA-N 325.458 5.168 0 40 EKAB Oc1cccc2ccc(/C=C/c3cccc(Oc4ccccc4)c3)nc12 8036176 CQIFGURCCXJHKK-WYMLVPIESA-N 339.394 5.903 0 40 EKAB Clc1ccc2c(-c3ccccc3)c3c(nc2c1)Cc1ccccc1-3 12139521 UFXBEGZJWGFCLN-UHFFFAOYSA-N 327.814 6.126 0 40 EKAB O=C(CSCc1ccc(Cl)cc1)c1ccc2ccccc2c1 16545780 SEFMNNCSMTYFJI-UHFFFAOYSA-N 326.848 5.609 0 40 EKAB FC(F)(F)c1cccc(CSc2nnc(-c3cccs3)o2)c1 19809942 GVTANPPQQAXOPF-UHFFFAOYSA-N 342.367 5.109 0 40 EKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)c(C)s2)cc1 36627022 ZHZBBENULPBBOY-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Cc1cc(C)cc(NCC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 59461518 KSXNDDDHHFXAFP-UHFFFAOYSA-N 327.427 5.169 0 40 EKAB CC(=O)c1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 67321809 COHGIFKGUZIXGT-UHFFFAOYSA-N 328.824 5.410 0 40 EKAB CCCCCC(=C/c1ccccc1)/C=N/Nc1nncc2ccccc12 82071583 KCWNSILAKUZQCS-YCTDNUTKSA-N 344.462 5.691 0 40 EKAB Cc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1Cl 225347541 IVFVNEOBBMZODN-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB CCCn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1 409116020 LANOBLLVSWGPFH-UHFFFAOYSA-N 343.883 5.301 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 342182 ZZPJYGDVWAHFGF-MRXNPFEDSA-N 325.452 5.341 0 40 EKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NC(C)C)ncnc32)c1 498967 RJOBUNCBDIAXFR-UHFFFAOYSA-N 342.446 5.216 0 40 EKAB CC(C)COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 568713 VYOPWUCIUIEFOX-UHFFFAOYSA-N 338.234 5.281 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccccc1Br 569020 XZIPMNBPFOPRPK-GFCCVEGCSA-N 332.241 5.215 0 40 EKAB Nc1c(Cl)cc2oc(-c3ccc(F)cc3Cl)nc2c1Cl 570167 CDOYYNZFKGNHBL-UHFFFAOYSA-N 331.561 5.176 0 40 EKAB CCOc1ccc(-c2cc(-c3ccccc3)cc(C(C)(C)C)n2)cc1 2266392 BVNITNPGVYMDFK-UHFFFAOYSA-N 331.459 6.112 0 40 EKAB CCCCCN(CCCCC)C(=O)c1ccccc1Br 3141382 AUFVDCNNCCSQES-UHFFFAOYSA-N 340.305 5.272 0 40 EKAB Cc1cc(C)c(C(=O)CSc2cc(C)c3cccc(C)c3n2)c(C)c1 6587284 AMZZSGDQCIUCGH-UHFFFAOYSA-N 349.499 5.752 0 40 EKAB Cc1ccc(COc2ccccc2C(=S)NCc2ccccc2)cc1 9188080 BVAQBFMIUHFQTB-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB Cc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl 13788220 LNSXWDKXUOKJOW-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 14202319 GJDDVZLWVRSCLX-SJORKVTESA-N 348.471 5.293 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2ccccc2c1 28907659 OYWDUMCADQCTQT-INIZCTEOSA-N 332.447 5.402 0 40 EKAB Cc1ccc(-c2nnc([C@@H](C)Sc3ccnc4ccccc34)o2)cc1 65562482 VGPDHILIXOKCQM-CQSZACIVSA-N 347.443 5.447 0 40 EKAB Cc1cccnc1[C@@H](NCc1csc(-c2ccsc2)n1)C(C)C 70039274 FDBZITXQOKXWIC-INIZCTEOSA-N 343.521 5.062 0 40 EKAB Cc1cc(Br)ccc1C(=O)c1ccc(OC(C)(C)C)cc1 95916096 USRIQCORMPAGMF-UHFFFAOYSA-N 347.252 5.166 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CCc2cccc3ccccc23)cc1C 222678236 LYURQRFXBYLOBA-GOSISDBHSA-N 331.459 5.267 0 40 EKAB CCCNCc1c(C)n(CC(C)C)c2ccc(O[C@@H](C)CC)cc12 223768029 ZNPQWKBXMFVXQX-INIZCTEOSA-N 330.516 5.283 0 40 EKAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C 225665012 BELPRCQQIPJPAA-IIBYNOLFSA-N 347.499 5.098 0 40 EKAB CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)[C@@H](O)CC(=O)O 248257550 LINWKSYGMQNQNZ-MUGJNUQGSA-N 342.564 5.897 0 40 EKAB Cc1ccc(CNC(=S)c2ccc(OCc3ccccc3)cc2)cc1 408576289 WYNLPDATENYJSL-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB Cc1ccc(C(=O)Nc2ccc3nc(SC(C)C)sc3c2)cc1 408748897 CQZNIJZKNGJBBW-UHFFFAOYSA-N 342.489 5.358 0 40 EKAB Fc1ccccc1COc1ccccc1CNc1ccccc1Cl 409180942 ZKLCPFUPDNTSQH-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB c1cc(-c2ccc3c(c2)C2(CC3)CCN(CC3CCCCC3)CC2)co1 2055812477 OQXFORZFYIMKCP-UHFFFAOYSA-N 349.518 5.807 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 505758 MEMSXBHTTWTRKV-CYBMUJFWSA-N 331.843 5.179 0 40 EKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1O 566932 ZWLUXDHPYLEKKK-UHFFFAOYSA-N 347.197 5.209 0 40 EKAB Cc1cc2c(cc1C)N(C(=O)NC1CCCCC1)C(C)(C)C[C@@H]2C 580108 RYUCRIZNPLTBJQ-INIZCTEOSA-N 328.500 5.438 0 40 EKAB COCc1c(-c2ccccc2)nn(C)c1Sc1ccccc1Cl 1392053 RPDXVZVNBXOUCI-UHFFFAOYSA-N 344.867 5.038 0 40 EKAB Clc1ccc(COCc2ccc(Cl)cc2Cl)c(Cl)c1 2572181 NWYHVMDKERUNLM-UHFFFAOYSA-N 336.045 6.017 0 40 EKAB O=C(OCc1ccc(Cl)cc1)C1(c2cccc(F)c2)CCCC1 3363042 BNSVPCOEYAPKBW-UHFFFAOYSA-N 332.802 5.034 0 40 EKAB CC[C@H](C)C(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 3670812 PDEHVMSVBREZFS-SBUREZEXSA-N 335.491 5.554 0 40 EKAB CCCC[C@@H](c1ccccc1)N(C)C[C@H](O)c1ccc(Cl)cc1 4416429 FEJCWBIFNFWDAV-PMACEKPBSA-N 331.887 5.237 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCCCCC1 7486864 MXPRECNSISMSLV-UHFFFAOYSA-N 330.516 5.138 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 9141470 BPQJRYOOQBEJTQ-AWEZNQCLSA-N 337.850 6.259 0 40 EKAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13708644 BZAQXZGRDVSQAA-INIZCTEOSA-N 349.430 5.033 0 40 EKAB CCc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1 20156761 NPYKDKLHRUJNBZ-UHFFFAOYSA-N 330.225 5.437 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccco1 33374183 HNNCIRYDHPLEAA-IHPCNDPISA-N 339.479 5.383 0 40 EKAB CC(C)C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 38757271 FAGCYJWODLHZBZ-APWZRJJASA-N 327.493 5.071 0 40 EKAB C[C@@H](Sc1nnc2sc3ccccc3n12)c1c(F)cccc1F 84647358 UTUYRTIOQSIKLM-SECBINFHSA-N 347.415 5.076 0 40 EKAB CC(C)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225350621 AGUOFVNETQGUTH-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)NC1CCCCCCC1 225375971 AVWSKPVKWUCIMJ-UHFFFAOYSA-N 328.283 5.155 0 40 EKAB C[C@H](CCc1ccccc1)NC(=O)c1cc2c(ccc3ccccc32)o1 408625469 VGUIRXBGKWKYSZ-MRXNPFEDSA-N 343.426 5.337 0 40 EKAB CSc1ccccc1NC(=O)c1oc2cc(C)c(Cl)cc2c1C 526052296 SWZLDBISTPJMET-UHFFFAOYSA-N 345.851 5.677 0 40 EKAB Clc1ccccc1CSc1cc2c(nn1)-c1ccccc1CC2 1390179 XCIWLBRTMNUBIT-UHFFFAOYSA-N 338.863 5.188 0 40 EKAB CCCCCCC(C)(C)c1cc(OC)c(/C=C/C(=O)O)c(OC)c1 2383400 UJYCGLMYDOOKND-ZHACJKMWSA-N 334.456 5.050 0 40 EKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1Cl 2726163 GMHMLKUENCHCLO-UHFFFAOYSA-N 340.275 5.504 0 40 EKAB Cc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 2735399 HFCGSVLFAVPMIE-UHFFFAOYSA-N 342.798 5.059 0 40 EKAB Cc1nnc(SCc2c(F)cccc2Cl)n1C1CCCCC1 3427454 HWSHVIPXPUTBDJ-UHFFFAOYSA-N 339.867 5.177 0 40 EKAB Cc1ccc(SCCC(=O)Nc2cccc(Cl)c2Cl)cc1 5191424 RATMKZDEZYDKGF-UHFFFAOYSA-N 340.275 5.423 0 40 EKAB Cc1cc(Nc2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2n1 5520713 QAINJHHZESCOEB-UHFFFAOYSA-N 336.744 5.959 0 40 EKAB Clc1ccc2sc(SCc3c[nH]c4ccccc34)nc2c1 6590200 APKWMXPHASAQES-UHFFFAOYSA-N 330.865 5.723 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)cc2)N3)C1 6934493 BTLZWCYTWRIKAH-SJCJKPOMSA-N 326.465 5.000 0 40 EKAB Cc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2)c2cccs2)cc1 12980573 RNKOKHNVSOIQKB-GOSISDBHSA-N 340.423 5.107 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 13774794 UAGMQKABAZIUBA-INIZCTEOSA-N 340.536 5.649 0 40 EKAB Clc1ccc(COc2ccc(CNCc3ccccc3)cc2)cc1 16480117 ZSUYUOKKSFGOKD-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB Cc1cccc(Nc2nc(-c3ccccc3O)nc3ccccc23)c1C 17196457 OROUMHVFAZTMBI-UHFFFAOYSA-N 341.414 5.363 0 40 EKAB c1coc(-c2nc(CSC3=Nc4ccccc4CS3)cs2)c1 22519462 XXBQLIKAJYFDQK-UHFFFAOYSA-N 344.486 5.571 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c(C)cccc1C(C)C 30751717 CZKKKBSXNQWGJX-IBGZPJMESA-N 325.452 5.223 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 44844702 CMXSFFCPDRDWIZ-NHCUHLMSSA-N 339.479 5.037 0 40 EKAB CC(C)N(c1ncccc1[C@H]1CCCN1Cc1ccccc1)C(C)C 72213006 QDZJTUOTZWVBAZ-OAQYLSRUSA-N 337.511 5.042 0 40 EKAB Cc1ccc2c(c1)-c1c(ss/c1=N/c1ccccc1)C(C)(C)N2 100687034 WSMVBFAVEXXTQW-CZIZESTLSA-N 338.501 5.678 0 40 EKAB C/C(=C\C(=S)Nc1ccccc1)Nc1ccc(Br)cc1 100951456 IWSVLVCATQWWOZ-VAWYXSNFSA-N 347.281 5.204 0 40 EKAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 216399629 HBYKUHDRJQEWBS-LJQANCHMSA-N 349.430 5.035 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1Cl 223005916 MRQRXWAHNWPATQ-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB Cc1cccc(NCc2ccccc2OCc2ccc(F)cc2)c1C 409117411 NJYSSHTYSYYOOJ-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1Cl 409122187 YIODFXAWPIJQIB-UHFFFAOYSA-N 338.278 5.957 0 40 EKAB Cc1ccc(-c2nc3cc(C)ccn3c2Nc2ccccc2C)cc1 427543 XSHWWHIZFHZNSY-UHFFFAOYSA-N 327.431 5.670 0 40 EKAB COc1ccc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)cc1 1463267 OHIGJQSSZJTBFS-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB CCCCCCNCc1c(OCc2ccccc2)ccc2ccccc12 7260951 YMNOVJBZRUZMLV-UHFFFAOYSA-N 347.502 6.089 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1sc(-c2ccsc2)nc1C 7463248 XIMARSKKLJEOJF-UHFFFAOYSA-N 348.880 5.394 0 40 EKAB Cc1cc(-c2csc(-c3ccsc3)n2)c(C)n1-c1nccs1 8102693 AQYCLUAMIKCKAH-UHFFFAOYSA-N 343.502 5.403 0 40 EKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccsc1 8981006 SINFLHINCYREFE-UHFFFAOYSA-N 336.441 5.277 0 40 EKAB O=C(C[C@@H]1C=CCC1)Nc1ccccc1Oc1ccccc1Cl 24401316 GWNILNUXTZPONV-CQSZACIVSA-N 327.811 5.427 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 38771575 YDOJXXXHNNDYAD-YLJYHZDGSA-N 341.520 5.379 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1ccccc1 38787599 POLWYDAZFUFJCU-QGZVFWFLSA-N 338.495 5.223 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)SCc2cccc(Cl)c2)cc1F 58016037 RZOCLYGLPOBXAU-LBPRGKRZSA-N 337.847 5.048 0 40 EKAB O=C(Cn1ccc2ccccc21)Nc1ccc(Nc2ccccc2)cc1 84553445 NHIPLTDAYSMQSF-UHFFFAOYSA-N 341.414 5.024 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219318235 CIXJYWKUVJJOJY-NHCUHLMSSA-N 339.479 5.037 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 222987674 XZETUWSWUATMBT-NRFANRHFSA-N 339.479 5.442 0 40 EKAB CCCC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223226279 YFDAJMSARXTCFB-SFHVURJKSA-N 329.484 5.037 0 40 EKAB CCOc1ccc(Cl)cc1C(=O)Nc1cccc2ccccc12 408588514 WSMAFODOLVKFRU-UHFFFAOYSA-N 325.795 5.144 0 40 EKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)c1 122449 QAESBZKMTUIXMX-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 516376 WJJCMSPTXVFGCU-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB CC(=O)c1cccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 3561838 JDMIYZICONPDOM-UHFFFAOYSA-N 347.798 5.149 0 40 EKAB Cc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccccc3)=NN2)cc1 4129711 DVPZOFWVFIFCHU-UHFFFAOYSA-N 345.833 5.082 0 40 EKAB Cn1c(-c2cccc(Cl)c2)cn2cc(-c3cccc(Cl)c3)nc12 4678147 CTAGTBYXEFNDDY-UHFFFAOYSA-N 342.229 5.314 0 40 EKAB c1ccc2sc(CSc3nnc(C4CCCCC4)o3)nc2c1 4891518 ZBMUPUKZHDUXTH-UHFFFAOYSA-N 331.466 5.019 0 40 EKAB Clc1ccc(-c2nc(N3CCCC3)c3oc4ccccc4c3n2)cc1 5164232 XJEBMNJNYAOSCE-UHFFFAOYSA-N 349.821 5.297 0 40 EKAB CCCC[C@@H](c1cccc(O)c1)[C@@H](CCCC)c1cccc(O)c1 5572814 TUIUBFPFLXPNFD-VXKWHMMOSA-N 326.480 6.346 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1 6479738 OPQDPNSDNXGPKQ-UHFFFAOYSA-N 332.399 5.102 0 40 EKAB Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 6572084 WLAGQHRBEVEVPO-UHFFFAOYSA-N 334.366 5.881 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2c1CCCC2 6863548 ITGIMDWDEFSQHT-UHFFFAOYSA-N 335.234 5.516 0 40 EKAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cc2ccccc2o1 7739209 BPQDAOYISJLEAH-LJQANCHMSA-N 333.412 5.014 0 40 EKAB C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1F 12786234 HKEYFUKAADEGJK-SNVBAGLBSA-N 333.815 5.185 0 40 EKAB c1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CCCCCC3)cc1 12970745 ACZIBVKNTCDCIX-UHFFFAOYSA-N 347.527 6.501 0 40 EKAB Cc1ccc(F)cc1NC(=S)Nc1cc(Cl)ccc1Cl 13840386 CKCGILWOFICNAN-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB COc1ccc(-c2ccc(CCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 15867464 OVTHXARDGMQANA-UHFFFAOYSA-N 349.430 5.143 0 40 EKAB COCc1ccccc1CNc1cc(C(F)(F)F)nc2ccccc12 26718949 RJZLKUWDBSPGRE-UHFFFAOYSA-N 346.352 5.012 0 40 EKAB CC(C)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57412194 IKPRJYMBSVUASX-UHFFFAOYSA-N 339.826 5.106 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 58969715 MDYCBJVCAUILFV-GOSISDBHSA-N 339.479 5.450 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C 59351170 JWGBEJABSHEJQP-RCQQVGEISA-N 348.273 5.501 0 40 EKAB Clc1cccc(-c2cnc(CN(Cc3ccsc3)C3CC3)o2)c1 84368082 OTKRIHYZGHWZIY-UHFFFAOYSA-N 344.867 5.221 0 40 EKAB Cc1cc(-n2cccc2)cc2nc(-c3cc(Cl)cc(Cl)c3)oc12 216744590 LXHDDZMNWRTBOB-UHFFFAOYSA-N 343.213 5.901 0 40 EKAB Cc1ccc(C)c(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 222852941 CJJOBKOKERUBJU-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223006692 LBIVZYQKLGOHLK-OAHLLOKOSA-N 341.882 5.029 0 40 EKAB Cc1cc(Cl)ccc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)O 225074173 MIXYQDGAAVHYHX-GOSISDBHSA-N 346.854 5.021 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225747541 GJZHRJFRMKEEHN-OAQYLSRUSA-N 349.515 5.405 0 40 EKAB CN1CCC[C@@H]1CCOc1ccc(F)cc1Oc1cccc(Cl)c1 585266191 HAMYEVXXELTNND-MRXNPFEDSA-N 349.833 5.135 0 40 EKAB Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1 32435 QYHHGXHCMUMLFR-UHFFFAOYSA-N 335.369 6.128 0 40 EKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)c1 348258 OFHHXZANSZIESR-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2[C@H](C)CC)cc1 569073 OHINZNBNDHRTMD-CVEARBPZSA-N 325.452 5.630 0 40 EKAB CCOc1ccc(Nc2nc(CC)nc3c2oc2ccccc23)cc1 5196280 SOEALPPDAMSRBM-UHFFFAOYSA-N 333.391 5.081 0 40 EKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 5463412 NAYXGKJPYLIZQR-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB O=C(Nc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 6338765 SAXPSKIPKLUEFF-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB Cc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)n2)o1 6587912 ARPIRZCZCYRCPK-UHFFFAOYSA-N 348.427 5.046 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C 6881275 FYKLYZDYHATAQQ-GFCCVEGCSA-N 325.383 5.646 0 40 EKAB COc1cccc(C(=O)Nc2ccccc2Sc2ccccc2)c1 8167167 FLJBDAAUXWJIFH-UHFFFAOYSA-N 335.428 5.099 0 40 EKAB Fc1ccc([C@H](Nc2ncnc3sccc23)c2cccs2)cc1 8325666 LMBONRRZPZGJAX-HNNXBMFYSA-N 341.436 5.093 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 12360374 LDWOCVLKNFPNQW-WRAFIADBSA-N 345.486 6.107 0 40 EKAB C[C@H]1CCCc2c1nc1sc3c(c1c2-c1cccs1)CCCC3 12634145 YBIMEGJNAFYMIK-LBPRGKRZSA-N 339.529 6.343 0 40 EKAB Nc1ccc(Oc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 14630248 TVIXBRLECVLLRJ-UHFFFAOYSA-N 329.321 5.747 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 20460914 BDOFDLGMXJMUDY-CQSZACIVSA-N 331.506 5.226 0 40 EKAB CC(C)C[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1 22530115 LIBOVZQKPBUACM-OAQYLSRUSA-N 339.479 5.092 0 40 EKAB O=C(O)c1cc(-c2cccc3ccccc23)c2cc3c(cc2c1)OCO3 62702291 ZCSPWEMEISEPIY-UHFFFAOYSA-N 342.350 5.087 0 40 EKAB COc1ccc2cc([C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2c1 68755465 HODGTDNBLFECDJ-MRXNPFEDSA-N 333.431 5.207 0 40 EKAB C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(C(C)(C)C)cc1 225628894 APOKZHWHORMQBN-INIZCTEOSA-N 335.491 5.354 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C 225674181 ZBQQEDPGUIJPEN-NRFANRHFSA-N 347.499 5.016 0 40 EKAB CCc1cc(C(=O)Nc2c(C)cccc2C)sc1-c1ccccc1 585152308 NIYIHHQSEGZGII-UHFFFAOYSA-N 335.472 5.847 0 40 EKAB O[C@@H](CNc1ccc(CSc2ccccc2)cc1)c1ccccc1 1558193 CVEWCSCWBUNIFZ-NRFANRHFSA-N 335.472 5.124 0 40 EKAB CCCCN(CCCC)[C@H](c1ccccc1)[C@H](O)c1ccccc1 1595269 BPNIKIQENLJVAF-FGZHOGPDSA-N 325.496 5.364 0 40 EKAB Clc1cccc(CSc2nnc(NCc3ccccc3)s2)c1 2630237 RZKVWGOHZAYOBD-UHFFFAOYSA-N 347.896 5.096 0 40 EKAB Cc1cccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c1 3149058 FSMYOIHZIQNRNK-OOMBGRCJSA-N 339.438 5.231 0 40 EKAB Cc1ccc(C(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 3441762 KPVAMJRCFGIMAY-AWEZNQCLSA-N 327.493 5.021 0 40 EKAB S=c1sc2c(s1)S[C@@H]1[C@@H]3[C@H]4C=C[C@H](C4)[C@H]3C[C@H]1S2 4838498 YJEUJNZJEIHEBL-AFNXEJLXSA-N 328.574 5.316 0 40 EKAB Clc1cccc(CSc2nnc(-c3cccc(Cl)c3)o2)c1 5170265 CHASVEDSDJWWHT-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 6563499 OBMFERMHAXINNA-UHFFFAOYSA-N 336.479 5.227 0 40 EKAB Cc1cccc(Nc2nnc(SCc3ccccc3F)s2)c1 6651041 QBLJCEHBIAGRAY-UHFFFAOYSA-N 331.441 5.022 0 40 EKAB Cc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1C 10165979 PDIDYAMAKVKIBS-UHFFFAOYSA-N 341.842 5.188 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(F)c1 16181617 BYTNQWYXTBNOHU-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@H](c2cccs2)C1 17066627 LJOFYOLUWKIQHF-HNNXBMFYSA-N 325.412 5.145 0 40 EKAB Clc1cccc(-c2ccc(CNCc3ccccc3)o2)c1Cl 20158514 XXFZZAGYGDYTJR-UHFFFAOYSA-N 332.230 5.543 0 40 EKAB Cc1cc(OS(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1C(C)C 41097103 ZUKDUIQETKTPME-UHFFFAOYSA-N 346.492 5.120 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)ccc1Cl 64982236 CPNDSRKJVJYTAO-CQSZACIVSA-N 331.843 5.178 0 40 EKAB COc1cccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1 100629486 TXYPIKAHPVRXEF-OAQYLSRUSA-N 348.446 5.567 0 40 EKAB CSc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 225370004 CXHUDIPPMMBRFA-UHFFFAOYSA-N 340.275 5.287 0 40 EKAB Cc1cccc(NC(=O)CCC(=O)c2ccc3cc(C)ccc3c2)c1 408835770 ZGABLKIRQSFRAX-UHFFFAOYSA-N 331.415 5.058 0 40 EKAB O=C(COc1cccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 45927 KHFAJESKUVBIIC-UHFFFAOYSA-N 346.213 5.164 0 40 EKAB COc1ccc(-c2nc(Nc3ccccc3Cl)sc2C)cc1 274504 MHLOXWHJJJJYHL-UHFFFAOYSA-N 330.840 5.524 0 40 EKAB CC(C)c1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1 520989 SKKXWHYDPZHTCA-UHFFFAOYSA-N 341.414 5.608 0 40 EKAB CCSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 527014 GEWWXBPSIKEBOS-UHFFFAOYSA-N 348.880 5.314 0 40 EKAB CC(=O)c1ccc2c(c1)C(=Cc1ccccc1)c1cc(C(C)=O)ccc1-2 969265 IDKOWYPMBOQNME-UHFFFAOYSA-N 338.406 5.661 0 40 EKAB Fc1c(F)c(Sc2cccc3cccnc23)c(F)c(F)c1Cl 2334996 WCSKEMKQTFHPGX-UHFFFAOYSA-N 343.732 5.596 0 40 EKAB C[C@H](Sc1ccc(Cl)cc1)c1nnc(S)n1-c1ccccc1 2562210 YPBVFANYYZXKBV-NSHDSACASA-N 347.896 5.063 0 40 EKAB CC(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 4608157 UTRHJINCQFRYBF-QFIPXVFZSA-N 342.442 5.581 0 40 EKAB COc1ccc2nc(C)cc(NCc3cccc(C(F)(F)F)c3)c2c1 5937259 SGDQPSJNELHSAJ-UHFFFAOYSA-N 346.352 5.183 0 40 EKAB CC(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1 6346342 YJHINNSSGHYQDM-CJLVFECKSA-N 339.438 6.029 0 40 EKAB O=C(/C=C\c1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1 6451284 GPICBAFYDRRNHW-PFONDFGASA-N 345.417 5.068 0 40 EKAB Cc1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)c1Cl 6814181 WZLUOTGZNNDFGB-UHFFFAOYSA-N 329.614 5.599 0 40 EKAB Cc1cccc(NC2=NC(=S)N(c3ccccc3)C23CCCCC3)c1 12462714 ZDSIFOYUXGKAHL-UHFFFAOYSA-N 349.503 5.313 0 40 EKAB Cc1cc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)nc2ccccc12 12633477 SJNZRRKOTLWUFR-ZDUSSCGKSA-N 341.863 5.560 0 40 EKAB CCOC(=O)c1c(C)nc2c(oc3ccccc32)c1-c1cccs1 14017505 ZYXYXKGYTUXJLV-UHFFFAOYSA-N 337.400 5.195 0 40 EKAB CC(C)=CCC/C(C)=C/Cc1cc(C(=O)O)cc(CC=C(C)C)c1O 15120565 SUXGLLRPXXXJER-LICLKQGHSA-N 342.479 5.834 0 40 EKAB biogenic,in-vitro Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 60055979 CAFDZZPTQPEPCD-UHFFFAOYSA-N 327.452 6.453 0 40 EKAB CC(C)(C)OC(=O)N1CCC(CSc2ccc(Cl)cc2)CC1 72203978 PYNYEQOSEYEPPD-UHFFFAOYSA-N 341.904 5.079 0 40 EKAB Cc1sc2ncnc(Oc3ccc(Oc4ccccn4)cc3)c2c1C 96997714 LTMIYFDZFALRBX-UHFFFAOYSA-N 349.415 5.288 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)c1 113935235 RQSRBIXAZSEEJW-OAHLLOKOSA-N 347.911 5.067 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225624480 NPWQXENGUPYQDU-LAUBAEHRSA-N 349.515 5.405 0 40 EKAB CCc1cccc(C)c1NC(=O)c1cc(C(C)C)c(OC)cc1C 225659725 ISKWHTVHRVGJMK-UHFFFAOYSA-N 325.452 5.250 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225746195 IUZBEGYHMUPTQW-FQEVSTJZSA-N 335.488 5.096 0 40 EKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2ccccc2c1 225865840 JYOWOZBYPZZKRW-INIZCTEOSA-N 345.442 5.125 0 40 EKAB CCNc1cc(C)c2oc(-c3cccc4c(Cl)cccc34)nc2c1 226282203 OLIABUYSTLRNSI-UHFFFAOYSA-N 336.822 6.042 0 40 EKAB CCc1ccccc1NCc1ccc(OCc2ccc(F)cc2)cc1 409109598 HZZHFSDWJFGROS-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB Cc1cccc(COc2ccc(/C=C3\C(=O)Nc4ccccc43)cc2)c1 409115411 MDLPTJASKWVGHH-STZFKDTASA-N 341.410 5.067 0 40 EKAB O=C(Nc1ccc2ccccc2n1)c1sc2ccccc2c1Cl 44149 FBUUJFANWXPKQL-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB O=C(NC1CCCCC1)c1cc(-c2cccs2)nc2ccccc12 551970 PNRTVRHVSREHFY-UHFFFAOYSA-N 336.460 5.026 0 40 EKAB COC(=O)c1c(-c2ccccc2)c2ccccc2n1-c1ccccc1 715590 VGUZUIRHVORMDV-UHFFFAOYSA-N 327.383 5.084 0 40 EKAB CC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)cc1 2775744 ABPSTVLQEQARAB-GOSISDBHSA-N 345.870 5.073 0 40 EKAB FC(F)(F)c1cnc2c(-c3ccc(Cl)cc3Cl)onc2c1 3134957 LRHURTYIGYQDQQ-UHFFFAOYSA-N 333.096 5.215 0 40 EKAB CC1CCC(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 3456126 OXIUYSKJOAVDBW-UHFFFAOYSA-N 344.458 5.210 0 40 EKAB Cc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 5610658 OJBIRQZZBJZWMI-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB Cc1cc(SCCC23CC4CC(CC(C4)C2)C3)nc2ccccc12 6792948 UEQYGASRNVGBCD-UHFFFAOYSA-N 337.532 6.242 0 40 EKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 9064423 YSXYZVXEGFLUGY-QGZVFWFLSA-N 344.458 5.471 0 40 EKAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)cc1 15729442 WOVGNBXCNGDXSU-UHFFFAOYSA-N 349.430 5.265 0 40 EKAB biogenic CCn1c2ccccc2c2cc(CN[C@H](C)c3ccccn3)ccc21 25359003 YYOFEZBGVTWQDK-MRXNPFEDSA-N 329.447 5.060 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl 40913229 QBQMPGMGIMHDBH-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3O)[nH]c2c1 65731492 YYRKDUZWMBHTAY-UHFFFAOYSA-N 349.430 5.375 0 40 EKAB Cc1nnc([C@@H](C)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 77676161 PIBYTIZMZOCTHG-QRWLVFNGSA-N 341.499 5.474 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 86064047 QFEHNMKROHXPFO-GNVSMLMZSA-N 338.532 6.061 0 40 EKAB Fc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 95116017 FETSNFAXVRGFOO-UHFFFAOYSA-N 333.793 6.361 0 40 EKAB CC1=C(/C=C\C(C)=C\C=C(C(=O)O)/C(C)=C\C(=O)O)C(C)(C)CCC1 104331262 BGOMUHYKLNJWPG-YPUXCLGGSA-N 344.451 5.057 0 40 EKAB Cc1cccc([C@@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)c1 223302250 LFPPCGZCAVBOPG-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 58778 SPGVDNMNRJDLGJ-CQSZACIVSA-N 328.843 5.173 0 40 EKAB biogenic O=C(Oc1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21 190077 OSZGYEMERBAKAE-UHFFFAOYSA-N 336.774 5.183 0 40 EKAB O=C([C@H](Sc1ccccc1)c1ccccc1)n1cnc2ccccc21 204756 YXWKBHVLCUEKOU-HXUWFJFHSA-N 344.439 5.210 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cc1 567720 LTDMDTOODQKENQ-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1cc2sc(NC(=O)c3ccc(Cl)cc3)nc2cc1Cl 569625 ODBFHZGDRYFVHL-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB COc1ccccc1N[C@@H](c1cccnc1)c1c(C)[nH]c2ccccc12 1281020 MATAOEDSBNIETG-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 1752809 PCDOFHFGRMBSDN-UHFFFAOYSA-N 342.748 5.023 0 40 EKAB COC1=C(c2ccccc2)[P@@](=O)(Cc2ccccc2)[C@@H]2CCC[C@H]12 1759496 AKWNNMKWUQSOIX-XLNZFTOWSA-N 338.387 5.747 0 40 EKAB C[C@H](Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1 3378677 KOOCQGJXSOFTBV-LBPRGKRZSA-N 346.402 5.585 0 40 EKAB c1ccc(C(Nc2ccccn2)(c2ccccc2)c2ccccc2)cc1 4411054 QVJQMPFYLNIJSR-UHFFFAOYSA-N 336.438 5.486 0 40 EKAB O=C(OCCC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4615167 FLXCUBZLCDPDAZ-UHFFFAOYSA-N 342.523 5.353 0 40 EKAB CC[C@@]1(C)c2ccccc2N(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 4815233 JBFSZZLFGMSOOS-BJKOFHAPSA-N 341.454 5.759 0 40 EKAB COc1cc([C@H]2C[C@H]3CC[C@@H]2C3)ccc1OC(=O)Nc1ccccc1 5396595 BEGPRXZENQASEA-DAYGRLMNSA-N 337.419 5.210 0 40 EKAB CCc1cccc(C)c1NC(=O)c1ccccc1OCc1ccccc1 6619959 NJAHQJBRAFNMPH-UHFFFAOYSA-N 345.442 5.389 0 40 EKAB Clc1ccc2oc(/C=C/c3ccccc3Br)nc2c1 6790533 IRJINQPMNKCSNR-VMPITWQZSA-N 334.600 5.414 0 40 EKAB Cc1ccc(Sc2ccc(NC(=O)c3ccccc3)cc2)c(C)c1 6835128 QKDJWQHMIRCUFU-UHFFFAOYSA-N 333.456 5.707 0 40 EKAB C/C(=C\c1ccccc1)CN[C@@H](Cc1ccsc1)c1nccs1 12219349 ZAPCKDIDFHXCIM-OTMARIDSSA-N 340.517 5.182 0 40 EKAB Cc1c(-c2ccc(Cl)cc2Cl)nc2cc3c(cc2c1C)OCO3 12969949 CLBRDLXOHKDWTA-UHFFFAOYSA-N 346.213 5.554 0 40 EKAB CSc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 18946930 BUJNUNFTBIBSMR-UHFFFAOYSA-N 342.411 5.236 0 40 EKAB COc1ccc(NC[C@@H](C)Oc2ccc(C(C)C)cc2)cc1Cl 19738100 KRWNKIIMYIINFU-CQSZACIVSA-N 333.859 5.351 0 40 EKAB CC(C)C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccccc1 20624819 QRVIZKKRKUCBAQ-KRWDZBQOSA-N 334.435 5.039 0 40 EKAB CCCCCC(=O)Nc1ccc(O)c(-c2nc3cc(C)ccc3o2)c1 70462024 GZLUECGMDLNSFZ-UHFFFAOYSA-N 338.407 5.028 0 40 EKAB Cc1ccc2nc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[nH]c2c1 85345360 QYAGHNPDONAIPT-UHFFFAOYSA-N 343.213 6.105 0 40 EKAB COC(=O)c1ccc(CN2c3ccc(Cl)cc3[C@@H](C)CC2(C)C)o1 223231411 LXUPAEPZLVABSD-LBPRGKRZSA-N 347.842 5.012 0 40 EKAB CC(C)c1ccc(C(=O)Nc2ccccc2-c2ccc(C(=O)O)o2)cc1 226356535 BJFGFYBTKPLCHN-UHFFFAOYSA-N 349.386 5.021 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21OCCS1 245239475 JIFTUOBNCNREQG-WQGSDSCCSA-N 348.552 5.058 0 40 EKAB CN1CCC[C@H]1CCOc1cccc(F)c1Oc1cccc(Cl)c1 585266165 COZSUWJUSQACPO-HNNXBMFYSA-N 349.833 5.135 0 40 EKAB Fc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl 40851 WITWHVDKPRWCEC-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB CC(C)(C)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 411351 JMTCAWYSYANNAZ-UHFFFAOYSA-N 348.475 5.096 0 40 EKAB O=C(NCc1cccc2ccccc12)c1ccc2c3c(cccc13)CC2 1049844 WCAJJPMDIXEMKL-UHFFFAOYSA-N 337.422 5.022 0 40 EKAB COc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1 3330327 ZSELRZSGXAOTPN-UHFFFAOYSA-N 333.416 5.111 0 40 EKAB aggregator O=C(CCC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 5946367 YSLKQKOMGGQPAW-UHFFFAOYSA-N 345.398 5.081 0 40 EKAB Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)oc2ccccc12 7986162 QQRCGMCRZLFUJL-LBPRGKRZSA-N 347.336 5.251 0 40 EKAB CCCCOc1ccc([C@H]2NCC3(CCCC3)c3ccccc32)cc1 22113364 AAEJJAOCCIJMAV-JOCHJYFZSA-N 335.491 5.370 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CC/C=C\CC/C=C\CC[C@@H]12 33246574 LDWOCVLKNFPNQW-SOGHBMIESA-N 345.486 6.107 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 40945037 VBWNSWHORGKRHE-SJORKVTESA-N 333.516 5.084 0 40 EKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccccc2)cc1 44085316 BCAALSLIENEBIT-UHFFFAOYSA-N 334.488 5.882 0 40 EKAB O=C(CCCc1ccccc1)Nc1ccc2[nH]c3ccccc3c2c1 44781854 AFYQTGBEJJWZCB-UHFFFAOYSA-N 328.415 5.283 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@H]1[C@H](C)CC[C@H]2C(C)(C)CCC[C@@]12C 105363198 QKSODSWUZYYQJJ-HVIQFJBASA-N 332.572 6.961 0 40 EKAB CCCC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223227575 HYZPUTAQQSWGNU-WMZOPIPTSA-N 331.500 5.127 0 40 EKAB C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 253609888 IECWTSWUVZMVIW-SBRBFUJMSA-N 344.583 6.220 0 40 EKAB CC1=CC(C)(C)N(C(=O)NC2CCCCC2)c2cc(C)c(C)cc21 169686 WZRNCJLMVQUWEZ-UHFFFAOYSA-N 326.484 5.348 0 40 EKAB Cc1ccc2ccc(S(=O)(=O)c3ccc4ccc(C)cc4c3)cc2c1 330577 UPENUDXWQGBQLK-UHFFFAOYSA-N 346.451 5.443 0 40 EKAB Cc1c(C(C)C)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 489597 XOLHXJUHZGMBOD-UHFFFAOYSA-N 336.362 5.777 0 40 EKAB biogenic Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1ccncc1 506019 MRHUTOXNFGNPFA-OAQYLSRUSA-N 347.849 5.726 0 40 EKAB CC1=NN(c2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)C1 4142646 PNOZERYJPLYCEF-HSZRJFAPSA-N 342.442 5.593 0 40 EKAB CCCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 4554521 BSUQQQMSAZHJEK-UHFFFAOYSA-N 345.851 5.492 0 40 EKAB CC(C)[C@@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 4981095 OQWGLWCRYXDABC-HUIQTFQGSA-N 339.523 5.147 0 40 EKAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C(C)C)cc2)n1 5902139 IWYZGVRZIVWDRJ-UHFFFAOYSA-N 344.414 5.293 0 40 EKAB biogenic COc1cccc(/C=C/c2ccc3ccccc3n2)c1OC(F)F 6338022 WXHXOOGPVLSMKV-ZRDIBKRKSA-N 327.330 5.015 0 40 EKAB CCC[C@@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 6377288 IMWJMPFFDNTYOV-MRXNPFEDSA-N 346.268 5.280 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 6934038 KKPHYUGRMGFBFG-OAHLLOKOSA-N 347.458 6.329 0 40 EKAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc2c(F)cccc2s1 22417494 QSYNXNDDESOPBN-JTQLQIEISA-N 349.377 5.152 0 40 EKAB CCCCC/C=C\C/C=C/CCCCCCCCCC(=O)OCC 33683181 PYVCCFLKWCNDQZ-UONSLQGUSA-N 336.560 7.143 0 40 EKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 35302581 KVJSBURZPOBEQI-QBFSEMIESA-N 335.790 5.073 0 40 EKAB Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3)c2c(C)c1Cl 39892983 JLOVUBCHWAWQJS-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB Cc1cc(N[C@@H](C)c2ccccc2)n2nc(-c3ccccc3)c(C)c2n1 40216666 QNJVQHFNOHZWPW-KRWDZBQOSA-N 342.446 5.186 0 40 EKAB COc1ccc(OC)c(Nc2nc(-c3ccc(C)cc3C)cs2)c1 67321685 JTUXQDMGCCSNCW-UHFFFAOYSA-N 340.448 5.188 0 40 EKAB Cc1ccc(C)c(-c2[nH]c(=Nc3ccc(C)c(Cl)c3)sc2C)c1 409040167 FSTMLCSYOZFABK-UHFFFAOYSA-N 342.895 5.863 0 40 EKAB CC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 536254 OVTKLENNIRDGGW-UHFFFAOYSA-N 343.839 5.166 0 40 EKAB C[C@H](Oc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)no1 579637 DTDKHJXRUOKPKY-JTQLQIEISA-N 335.190 5.183 0 40 EKAB COc1cccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c1 1253215 HIFLRTXPVVDUDK-UHFFFAOYSA-N 341.414 5.357 0 40 EKAB aggregator CCCCCN(CCCCC)C[C@H](O)c1cc(Cl)ccc1OC 1706363 DTMYUHUPXXNNGM-SFHVURJKSA-N 341.923 5.064 0 40 EKAB Cc1cccc(C)c1CCC(=O)c1ccc(Br)c(F)c1 2517602 MTFHGGYTHJUWLQ-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2C)cc1Cl 3183395 JKCDYTALNRMUCT-UHFFFAOYSA-N 345.870 5.272 0 40 EKAB Fc1ccc2nc(Nc3nc4ccc(Cl)cc4s3)sc2c1 4137766 FUOWKJNMKQIWQD-UHFFFAOYSA-N 335.816 5.442 0 40 EKAB C[C@H]1[C@@H]2C[C@H](c3ccc(OC(=O)Nc4ccccc4)cc3)[C@@H](C2)C1(C)C 5442948 COBDRXXOEJTYQG-AXNOTKAXSA-N 349.474 6.083 0 40 EKAB CN(Cc1ccccc1Cl)C(=O)C(c1ccccc1)c1ccccc1 6998582 JQESCVUMHGYASI-UHFFFAOYSA-N 349.861 5.131 0 40 EKAB C[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 8167464 QEQUEWJQGQEHIO-INIZCTEOSA-N 343.426 5.048 0 40 EKAB Fc1ccc2[nH]c(-c3ccccc3)c(-c3nc4ccccc4[nH]3)c2c1 8311061 WUDPXVQUWYEXIY-UHFFFAOYSA-N 327.362 5.517 0 40 EKAB Cc1ccc(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 10110539 WZNVZSHYZLXOFT-UHFFFAOYSA-N 343.426 5.257 0 40 EKAB CCc1ccccc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 12523163 UNNGTROQRVMXOI-VAWYXSNFSA-N 336.822 5.103 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 13710873 KQXLUMQYAYDXOT-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c(Cl)c1 14258012 CRAUTNZOZYTHDT-UHFFFAOYSA-N 330.840 5.127 0 40 EKAB Clc1ccccc1CNCc1ccccc1OCc1ccccc1 16480793 BELGJRBINFFVGU-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C)cc1 16711481 CCWWJOFXZBVECC-ZZEZOPTASA-N 328.868 5.431 0 40 EKAB C[C@@H](CNc1cccc(C(F)(F)F)c1)Oc1ccccc1Cl 19737618 QPJVSFMBXFLYGH-NSHDSACASA-N 329.749 5.238 0 40 EKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(Cl)ccc1F 29026826 VZOPXTYGJUOMFN-UHFFFAOYSA-N 333.790 5.053 0 40 EKAB Cc1ccc(NC(=O)Nc2ccccc2Br)cc1Cl 35121106 CZEYEUBPJFSISS-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)cc1 62049594 IGZGFPDINAQJCH-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB O=C1CCC(c2ccc(OC(=O)c3ccc4ccccc4c3)cc2)CC1 70018565 PQIJWBITCCBKIO-UHFFFAOYSA-N 344.410 5.286 0 40 EKAB CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OCCN 83434040 DLHLOYYQQGSXCC-MLFLMRJSSA-N 347.543 5.634 0 40 EKAB Cc1ccc(-c2ccc(OC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)c(C)c2)cc1 102245449 NILUOCPWOWOGAD-DZFGPLHGSA-N 334.459 5.702 0 40 EKAB CC[C@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc2c(c1)CCCC2 223023464 MASJONCCZYLMCH-GLBTYYSXSA-N 333.475 5.155 0 40 EKAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2C)cc1Cl 224819312 RYXGEYKGRODNLN-SFHVURJKSA-N 345.870 5.237 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 225261019 XJRHMULHPLMSBM-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CCOC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 226258150 NKIKMJYWLVFPFI-VMPITWQZSA-N 344.716 5.195 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(Cl)c1)c1ccncc1 506028 OIAVWFZTXVOGPN-NRFANRHFSA-N 347.849 5.726 0 40 EKAB CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 547602 LSRSCSFXFBGLBO-UHFFFAOYSA-N 343.521 5.039 0 40 EKAB Cc1ccc(C)c(OCCn2cc(C(=O)C(C)C)c3ccccc32)c1 560881 CROLDYTVYKNDPU-UHFFFAOYSA-N 335.447 5.176 0 40 EKAB CCCc1noc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n1 2479453 CEDDYHAHLGSEMX-UHFFFAOYSA-N 349.821 5.558 0 40 EKAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)C1(C)C 4717249 GDJKFDSRDFQQSD-UXHICEINSA-N 345.442 5.075 0 40 EKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c(F)c3)sc2c1 4949144 KIYGOWDIXUJMSJ-UHFFFAOYSA-N 349.814 5.263 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(C)C)sc2c1 5619209 OANKFZWQBYJJDE-UHFFFAOYSA-N 343.879 6.239 0 40 EKAB C[C@@H](C/C=C(\C1SCCS1)[C@@H](C)CC(C)(C)C)CC(C)(C)C 5641352 ZGQRHXAWTWNZJQ-MWBWVTEGSA-N 342.658 7.254 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cccc2C(C)C)c1 5698268 AJCQGDKOHAAALP-UHFFFAOYSA-N 339.479 5.568 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1C(C)C 8382801 IFFNLOFDRQRFPC-UHFFFAOYSA-N 333.431 5.614 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc3ccc(C)nc23)cc1 8590699 JCFBLSBRIKSNNA-HNNXBMFYSA-N 348.446 5.074 0 40 EKAB Clc1cc(-c2csc(Nc3ccccn3)n2)c(Cl)s1 12517131 JMIZGAVKLHKBCK-UHFFFAOYSA-N 328.249 5.317 0 40 EKAB Cc1ccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 13668487 LWWGBGKRCIRIEW-UHFFFAOYSA-N 329.443 5.025 0 40 EKAB CSc1ccc(Cl)c(C(=O)Nc2nc(C(C)(C)C)cs2)c1 14793901 IJDKPPKVLJNSEM-UHFFFAOYSA-N 340.901 5.068 0 40 EKAB CCCCCCOc1ccc(-c2ncc(CCCCCC)cn2)cc1 16638451 LGCWNHQHPFBPBP-UHFFFAOYSA-N 340.511 6.226 0 40 EKAB COC1=C[C@H]2CC[C@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 16917729 BISLUBSVNGTKPR-JQMNJMKVSA-N 346.511 5.101 0 40 EKAB Cc1c(Cl)cccc1-c1ccc(CNCCc2ccccc2F)o1 22076830 KYYUHMCPPOCULN-UHFFFAOYSA-N 343.829 5.380 0 40 EKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccsc1 24706944 ISCCYNSUWHMTBY-UHFFFAOYSA-N 336.441 5.277 0 40 EKAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 30549407 YFQPRAGJDRKPQV-OAHLLOKOSA-N 341.520 5.124 0 40 EKAB C(=C\c1cc(-c2cc(/C=C/c3ccccc3)[nH]n2)n[nH]1)\c1ccccc1 31772016 HHSWSLOQIXLUAS-HEEUSZRZSA-N 338.414 5.141 0 40 EKAB CCCOc1ccc(Br)cc1CNc1ccc(C)cc1 37215770 ZOBULFVKMFZOAP-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB Cc1ccccc1CSc1nccn2nc(-c3cccs3)cc12 48990912 MZGKMFVQVBDXFI-UHFFFAOYSA-N 337.473 5.059 0 40 EKAB Cc1cccc([C@H]2CCCN2Cc2nc(-c3cccs3)oc2C)c1 58045335 CGXQDBJJTJDIAA-GOSISDBHSA-N 338.476 5.357 0 40 EKAB Cc1cc2[nH]c(-c3cccc4c(Cl)cccc34)nc2cc1Cl 73639195 JTTFVZVAYGBKTN-UHFFFAOYSA-N 327.214 5.998 0 40 EKAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 216494075 GTSNPZXSISZVLV-FROQITRMSA-N 334.246 5.192 0 40 EKAB COc1cc(Cl)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 216912455 USWSJRXHEPVBBC-UHFFFAOYSA-N 334.806 5.559 0 40 EKAB CCc1cccc(C)c1NC(=O)c1cc2cc3ccccc3nc2s1 223127949 DGCNLYIBLRWCRO-UHFFFAOYSA-N 346.455 5.573 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C)c1 225704366 VCUHOPLCCXFOML-HXUWFJFHSA-N 335.488 5.098 0 40 EKAB Cc1nnc(-c2cccc(NC3CC(c4ccccc4Cl)C3)c2)o1 585085768 URCGFBOPFNNJRW-UHFFFAOYSA-N 339.826 5.057 0 40 EKAB CCCCN(CCCC)C(=O)c1cc2sc3ccccc3c2s1 3183307 LZJVMFNTPOEBJJ-UHFFFAOYSA-N 345.533 6.158 0 40 EKAB Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)O)c2c1 4227989 WQONZIRVALGVGG-UHFFFAOYSA-N 344.414 5.099 0 40 EKAB Cc1ccccc1CSCC(=O)Nc1c(C)cccc1C(C)C 4496909 MVDHQFOMHSVXNC-UHFFFAOYSA-N 327.493 5.299 0 40 EKAB Oc1ccc(C2c3ccccc3Oc3ccccc32)c2cccnc12 4769085 NPKQVSMGLRUXGZ-UHFFFAOYSA-N 325.367 5.226 0 40 EKAB CCc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 4866110 ROGMBDMLEMSXDX-UHFFFAOYSA-N 345.398 5.166 0 40 EKAB Cc1ccc(CNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 7538233 CMKBDQSUFDDAGG-UHFFFAOYSA-N 346.257 5.852 0 40 EKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c(Cl)cccc12 14258270 INMWMPJAKCXBIW-UHFFFAOYSA-N 334.177 5.538 0 40 EKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14398093 YNRYYJQGNIAWOF-MRXNPFEDSA-N 325.452 5.007 0 40 EKAB CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 17198499 RPRCHNYNMNIOAN-SFHVURJKSA-N 331.868 5.242 0 40 EKAB O=C(c1ccccc1Cl)N(Cc1ccco1)c1ccc(Cl)cc1 27795471 BZUHAUPFFWARDI-UHFFFAOYSA-N 346.213 5.433 0 40 EKAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(Cl)c2cccnc12 44015158 NLZGVLNYRYSRJT-NSHDSACASA-N 345.855 5.175 0 40 EKAB Clc1ccc2sc(Nc3nc4ccccc4o3)nc2c1Cl 57352533 DFVXYGXQHYNWAT-UHFFFAOYSA-N 336.203 5.488 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224620975 GSVNNRKEQGJURI-OAQYLSRUSA-N 345.442 5.043 0 40 EKAB CCCC[C@@H](CC)CNC(=O)CSCc1cccc2ccccc12 224953639 LYDBRMWYKSDFDQ-QGZVFWFLSA-N 343.536 5.406 0 40 EKAB CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(C)cc2C)c1 225715909 MFCCWDBTRZSVAG-LJQANCHMSA-N 342.508 5.140 0 40 EKAB Cc1ccccc1CSc1ncnc2sc3c(c12)CCCC3 527167 DETVEDSYLKOZPS-UHFFFAOYSA-N 326.490 5.171 0 40 EKAB COc1ccc([C@@H](CCNCc2ccccc2)c2ccc(C)cc2)cc1 1799836 NCAQBZAGWJVTOE-DEOSSOPVSA-N 345.486 5.315 0 40 EKAB biogenic CCOc1ccc(NC(=S)Nc2ccc(C(C)(C)C)cc2)cc1 3328135 PSVZKEZYMNQGDU-UHFFFAOYSA-N 328.481 5.192 0 40 EKAB Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c(Cl)cccc12 3430084 BCUJQNPPOBLYAP-UHFFFAOYSA-N 342.807 5.257 0 40 EKAB Clc1ccccc1/C=C/c1nc2ccccc2n1Cc1ccccc1 4002818 GHKCVSVRDTUOQS-CCEZHUSRSA-N 344.845 5.908 0 40 EKAB CCN(CC)C1=NC=CC(c2ccccc2)=C[C@H]1Sc1ccccc1 4114368 GLJMCFOFKIFDDN-OAQYLSRUSA-N 348.515 5.499 0 40 EKAB CCCC[C@@H](CC)CCC(CC[C@H](CC)CCCC)S(=O)(=O)O 4428846 OVFSRTCHWHAQPF-QZTJIDSGSA-N 348.593 6.236 0 40 EKAB CNc1nc(SCc2cccc3ccccc23)nc2ccccc12 5262142 MWNYMMCFUCRAOR-UHFFFAOYSA-N 331.444 5.117 0 40 EKAB CC[C@]1(C)c2ccccc2N(C)[C@]12C=Cc1c(ccc3ccccc13)O2 5695181 JBFSZZLFGMSOOS-RPWUZVMVSA-N 341.454 5.759 0 40 EKAB Cc1occc1-c1nnc(SCc2ccccc2)n1-c1ccccc1 5883721 RXMNRLRCXKDTQE-UHFFFAOYSA-N 347.443 5.128 0 40 EKAB O=S(=O)(Nc1ccccc1Cl)c1ccc(C2CCCCC2)cc1 6315834 PPZVVVKVKMMWSU-UHFFFAOYSA-N 349.883 5.189 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCCCC2)cc1 7504660 PMILQEVCYKDLRG-UHFFFAOYSA-N 330.431 5.082 0 40 EKAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1cc2ccccc2o1 12734603 LCTZZFPKNYCCNA-JTQLQIEISA-N 334.202 5.231 0 40 EKAB CCc1sc(C(=O)Nc2cccc(C3SCCS3)c2)cc1C 12971484 HOYZDZFNJMYAKO-UHFFFAOYSA-N 349.546 5.350 0 40 EKAB c1ccc([C@H]2CCCN2Cc2csc(-c3ccsc3)n2)cc1 32889929 VOIFGICFOYTODQ-QGZVFWFLSA-N 326.490 5.209 0 40 EKAB CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CC)c1ccc([N+](=O)[O-])cc1 37625934 ZNSZYNXUMJNBMA-HDICACEKSA-N 328.368 5.190 0 40 EKAB c1ccc(Cn2cc(CNCc3cccs3)c3ccccc32)cc1 39979583 WSGJNFORBUECHC-UHFFFAOYSA-N 332.472 5.041 0 40 EKAB CCc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44837925 SPSSKCGTGBZTPP-UHFFFAOYSA-N 341.414 5.045 0 40 EKAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 44948424 MFBCWYSEHJEPEZ-CXAGYDPISA-N 333.884 5.088 0 40 EKAB Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2 102718416 KXCOLTTXVHPDEA-MRXNPFEDSA-N 342.826 5.487 0 40 EKAB CCCC[C@@H](CC)CNC(=O)CSCc1c(F)cccc1Cl 223455693 LYGWMYDPYVAYSZ-CYBMUJFWSA-N 345.911 5.045 0 40 EKAB Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1 224999615 MYNBLEZVHQDDOW-UHFFFAOYSA-N 337.806 5.693 0 40 EKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(Cl)c1 225658295 DLEAWSPAXRVCIH-CQSZACIVSA-N 346.927 5.383 0 40 EKAB Cc1cc(OCc2ccccc2)ccc1C(=O)C(Cl)(Cl)Cl 382708533 VWLJOHOITXOCKU-UHFFFAOYSA-N 343.637 5.127 0 40 EKAB C[C@H](CC(=O)c1ccc(OC(F)(F)C(F)F)cc1)CC(C)(C)C 575361255 VPFNLSYUSDJISN-LLVKDONJSA-N 334.353 5.568 0 40 EKAB CC(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 128422 VOTXJXMGCBSBMH-UHFFFAOYSA-N 338.234 5.134 0 40 EKAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc(Cl)c1 356505 HNRFDARFISMBPK-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB Fc1ccc(Sc2ccnc(Sc3ccc(F)cc3)n2)cc1 480278 RPNGCGLZZKVDKK-UHFFFAOYSA-N 332.400 5.057 0 40 EKAB Clc1cccc(COCc2cccc(Cl)c2Cl)c1Cl 1583753 BKGPDPOATDMPJO-UHFFFAOYSA-N 336.045 6.017 0 40 EKAB CCCCCN(CCCCC)C[C@H](O)c1ccc(C)c(Cl)c1 1592130 ODLHQPYNOGLVNT-IBGZPJMESA-N 325.924 5.364 0 40 EKAB Cc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)cc2)cc1 3206556 SIGMEZFMXGGIAK-UHFFFAOYSA-N 340.430 5.734 0 40 EKAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1cccc2ccccc12 3348659 QPBOSPGUMIVNNP-UHFFFAOYSA-N 345.486 5.338 0 40 EKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1C(C)C 4691299 RZJCEVWWSLWUBW-UHFFFAOYSA-N 345.870 5.570 0 40 EKAB COc1ccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc1OC 5560325 FUUXWBVEZQSDRA-YRNVUSSQSA-N 337.444 5.306 0 40 EKAB COc1ccc(C(C)=O)cc1CSc1c(C)c(C)cc(C)c1C 7652544 DDKLULUXCMMNTE-UHFFFAOYSA-N 328.477 5.424 0 40 EKAB Cc1ccnc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 12515374 QXYWOVQFWGUWJH-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB Cc1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1C 13937638 LRDYGQFFVRMGRK-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB O=C(/C=C\c1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 17241399 QDHWVWIYKBCEIX-YPKPFQOOSA-N 340.382 5.147 0 40 EKAB Cc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 28575378 JZVBJEQCFQDYLF-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB Cc1cc(-c2ccccc2)nc(SCc2ccccc2Cl)n1 33869761 DCYVYYASTJLOND-UHFFFAOYSA-N 326.852 5.398 0 40 EKAB CCCCc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 39897564 CCMCPZHVMYUFHB-UHFFFAOYSA-N 327.811 5.681 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 44880619 ZDNCHDRHWCIVKY-UHFFFAOYSA-N 345.442 5.064 0 40 EKAB CCCCN1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 72217265 XKRFOLOQRQIVSA-LJQANCHMSA-N 332.557 5.834 0 40 EKAB Cc1nc(S[C@@H](C)c2nc(C3CC3)no2)n(C2CCCCC2)c1C 84051802 CCMMANSIUMZUSO-ZDUSSCGKSA-N 346.500 5.119 0 40 EKAB Cc1ccccc1[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 216311582 OZGXFDXLLDEKEW-HXUWFJFHSA-N 335.834 5.168 0 40 EKAB CC[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(C)c(C)c1 225711191 IRBDKNBDEOMGNZ-MRXNPFEDSA-N 334.435 5.019 0 40 EKAB CCc1cccc2c(C=O)cn(CCOc3cccc4ccccc34)c12 409197949 SMHOGTYFHHXHIM-UHFFFAOYSA-N 343.426 5.248 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(O[C@H](C)CC)cc1 569076 OHINZNBNDHRTMD-JKSUJKDBSA-N 325.452 5.630 0 40 EKAB Cc1ccc(C)c(Cn2c(Cc3ccccc3)nc3ccccc32)c1 1447777 IGRPLWSLWGJRBZ-UHFFFAOYSA-N 326.443 5.292 0 40 EKAB CC(C)[C@H]1CC(C)(C)c2cc3c(cc2O1)C(C)(C)C[C@H](C(C)C)O3 1755213 AXZZWZJMODCYKU-WOJBJXKFSA-N 330.512 5.856 0 40 EKAB CCCCCCC1CCC(c2ccc(-c3cccs3)nc2)CC1 2055900 TUIBMIIYKIIBRS-UHFFFAOYSA-N 327.537 7.054 0 40 EKAB O=P(OCc1ccccc1)(Oc1ccccc1)Oc1ccccc1 3145203 JELQNFAUSQUEGV-UHFFFAOYSA-N 340.315 5.469 0 40 EKAB COc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 3175807 UYVDCQVZMTYDCQ-UHFFFAOYSA-N 328.371 5.079 0 40 EKAB CCOc1ccc2nc(C)cc(Nc3cccc(Cl)c3C)c2c1 5891417 KKWBVSZFJXRUBH-UHFFFAOYSA-N 326.827 5.647 0 40 EKAB CCc1ccc2c(c1)C(c1ccccc1)=NN=C(c1ccc(F)cc1)N2 5910972 AYISUQLDWACWHQ-UHFFFAOYSA-N 343.405 5.013 0 40 EKAB CCCCCN(CCCCC)C(=O)c1cc(Cl)ccc1OC 6042241 ILKKEVOZMMHHKL-UHFFFAOYSA-N 325.880 5.171 0 40 EKAB Cc1ccsc1CN(C)C(=O)c1ccc(Oc2ccccc2)cc1 7898135 SCOUCIYGYNYIAG-UHFFFAOYSA-N 337.444 5.121 0 40 EKAB Clc1ccc(COc2cccc(CNCc3ccccc3)c2)cc1 16480128 HJPFEEJBWAWECJ-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(C)cc1 20488272 WEPNBHXUCHXRFP-GOSISDBHSA-N 347.911 5.178 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCCCC(=O)OC 32175788 ABGHYAFHPINIHF-JWDLLYTKSA-N 346.555 7.085 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1C 33552926 RLNZTIQXJXVQBY-UHFFFAOYSA-N 339.822 5.778 0 40 EKAB N=C(S)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 34856969 HOPJYLKOMWOWSH-CWWQYYKHSA-N 347.487 5.148 0 40 EKAB C[C@@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 57294285 UZUCCSMLMFNSDR-NGXZDTIWSA-N 339.482 6.134 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C 59351252 ATZASXVYCXVEPI-MSOLQXFVSA-N 347.458 5.101 0 40 EKAB Fc1cc(Cl)cc(SCc2ccc(Br)cc2F)c1 95733369 YZEVRQJWKSVYNJ-UHFFFAOYSA-N 349.627 5.673 0 40 EKAB CCCC1CCC([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1 100021384 LIALNGUAWCANCX-YHFFBGSDSA-N 346.486 6.144 0 40 EKAB Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 226365367 QYUCXUMTMTVBRK-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB CCN(CC)c1ccc(N2c3ccccc3Oc3ccccc32)cc1 1857794384 UYSIBUFFUORGBN-UHFFFAOYSA-N 330.431 6.108 0 40 EKAB Cc1nc(-c2cccc(NC(=O)c3ccccc3Cl)c2)cs1 169518 RKAYGCBKGQPVEQ-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB Fc1ccccc1COc1ccc(CNc2ccccc2)cc1Cl 479305 XYRAYERWVXEVKV-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCCc1ccc(OC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1 578976 KXEVYGYZEUZWGA-UHFFFAOYSA-N 342.394 5.070 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)n1c2ccccc2c2ccccc21 1726576 MCXTWVQJBISQOP-UHFFFAOYSA-N 340.209 5.790 0 40 EKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2ccccc2c1 2653183 AQEZMNOSFWUXQI-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB O=C(Oc1ccccc1Cc1ccccc1)c1c(F)cccc1Cl 5517449 KENVRZRPPOTUAI-UHFFFAOYSA-N 340.781 5.289 0 40 EKAB CCCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 7660187 APZOMPNKXOLTIK-UHFFFAOYSA-N 345.851 5.596 0 40 EKAB Cc1cccc(Oc2ccc(NC(=O)CCc3ccccc3)cc2)c1C 8471497 GBOHQWDKIGGFPM-UHFFFAOYSA-N 345.442 5.667 0 40 EKAB CSc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 10510813 NJFBZTDRXUIDGQ-UHFFFAOYSA-N 333.865 5.529 0 40 EKAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 12775526 QWUWNVWGUVHSCY-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 13710733 KASPQKSXFODAIC-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(C)c1 38754684 OEFIHUCPCYREPV-KRWDZBQOSA-N 333.884 5.466 0 40 EKAB CC(C)[C@@H](NC(=O)N[C@@H](c1cccs1)C(C)C)c1cccs1 48362267 DFFXTJXGNWRBDP-HZPDHXFCSA-N 336.526 5.203 0 40 EKAB Cc1nc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2oc3ccccc3c2n1 101112683 GHZQQHKRGDMUHI-SZNDQCEHSA-N 335.451 5.089 0 40 EKAB CC1(C)CC2=Nc3ccccc3N3C(=O)c4ccccc4[C@@H]3C2=C(O)C1 102417158 ONQXTEQTGVHIHH-HXUWFJFHSA-N 344.414 5.106 0 40 EKAB COc1cc(CNc2ccccc2)ccc1OCc1ccccc1F 107040630 WWYGZWUOPBMDAT-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB CCc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 210202403 QWSUNWGUALTPLV-LFIBNONCSA-N 343.835 5.143 0 40 EKAB COc1ccccc1C1=Nc2ccccc2N[C@@H](c2cccc(F)c2)C1 227173699 CEORYKLJWQVJLW-HXUWFJFHSA-N 346.405 5.512 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccccc2C)cc1OCC 409114104 CFPFTYQJRGARFU-UHFFFAOYSA-N 333.859 5.448 0 40 EKAB CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(Cl)cc1 584905959 QUVSJMSSMNSCDP-UHFFFAOYSA-N 328.868 5.431 0 40 EKAB CC[C@@H](C(=O)N[C@H](c1ccsc1)c1cccs1)c1ccccc1 822551400 IMUPUZWSIGHLCS-SJLPKXTDSA-N 341.501 5.209 0 40 EKAB CC[C@@H](C)c1ccc2oc(-c3cc(Cl)c(N)c(Cl)c3)nc2c1 569842 XICYOMISAHKLGP-SECBINFHSA-N 335.234 5.897 0 40 EKAB CCCCC/C(=C/c1ccccc1)C1OCC(CC)(CCCC)CO1 1583876 UKJJZMUSORNXLB-FXBPSFAMSA-N 344.539 6.610 0 40 EKAB CCCc1cc(NC2CCCC2)n2nc(C)c(-c3ccccc3)c2n1 2222508 HUROSOQXTDWWTB-UHFFFAOYSA-N 334.467 5.012 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1oc2ccccc2c1C 3347445 BRTHRZQWNLVHKA-UHFFFAOYSA-N 337.419 5.300 0 40 EKAB Cc1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1 3453885 OKHSOCMXXJFCNQ-UHFFFAOYSA-N 331.444 5.279 0 40 EKAB Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)c(C(C)C)cc1Cl 4659229 USIVTWMYOVBQRX-UHFFFAOYSA-N 344.882 6.289 0 40 EKAB CCCCc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10365861 KLPZQQNMUMATJQ-UHFFFAOYSA-N 337.507 5.898 0 40 EKAB CCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 12410995 IWPPXFPVHUECIL-UHFFFAOYSA-N 333.262 5.734 0 40 EKAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc3cc(Oc4ccccc4)ccc3[nH]2)C1 18265217 BCXONGYUOMIPLL-IYBDPMFKSA-N 348.446 5.078 0 40 EKAB Cc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 30854726 GANSDWBKDGEIHC-XMMPIXPASA-N 343.470 5.142 0 40 EKAB Nc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 57340171 NGWKAPHEICFGJK-UHFFFAOYSA-N 337.231 5.043 0 40 EKAB c1ccc2c(c1)-c1ccccc1C21[C@@H]2C[C@H]1c1cccc3cccc2c13 71782759 KHIXDTVTMJVMCS-PSWAGMNNSA-N 330.430 6.391 0 40 EKAB CCc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)oc3c2)cc1 95116514 FRCURKLYRCVTKQ-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB C/C=C/c1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)c(C)c2c1 140923650 LXRVZJFJYYQBCU-VOTSOKGWSA-N 338.403 5.467 0 40 EKAB biogenic,in-vitro Cc1cc2nc(-c3ccc(OCc4ccccc4C)cc3)oc2cc1C 226295153 FXSSQRKGNKAMPZ-UHFFFAOYSA-N 343.426 5.999 0 40 EKAB CC(C)(C)c1ccc([C@@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 226296405 WZWYXGBIABXLAY-HSZRJFAPSA-N 328.455 5.637 0 40 EKAB COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 257345691 GNHLECXLLAGZRC-WRKHRYLDSA-N 332.528 5.251 0 40 EKAB CCCOc1ccc(CNc2cc(C)ccc2C)cc1Br 409110859 ANLWLWSKAHSEFF-UHFFFAOYSA-N 348.284 5.467 0 40 EKAB O=C(c1ccc(COc2cc(F)ccc2F)cc1)C1CCCCC1 575358455 XMKWNMANORBARC-UHFFFAOYSA-N 330.374 5.307 0 40 EKAB CC[C@H](C(=O)c1ccccc1OC(F)(F)C(F)F)c1ccccc1 575360629 KBAHDQCPVXTHOV-ZDUSSCGKSA-N 340.316 5.300 0 40 EKAB COc1ccc2c(c1)Cc1sc(Nc3cccc4ccccc34)nc1-2 38034 SJYCRFZPWRCTCI-UHFFFAOYSA-N 344.439 5.620 0 40 EKAB Cc1cccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc12 352931 FULJDBBOYFNPJP-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CCCc1cc(=O)oc2cc3occ(-c4cccc(OC)c4)c3cc12 488966 ZBAMRVXEULULTN-UHFFFAOYSA-N 334.371 5.167 0 40 EKAB biogenic CCN(CC)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773044 WYIJNZSJPNKWMU-UHFFFAOYSA-N 346.261 5.450 0 40 EKAB Cc1ccc2nc(-c3ccc(-c4cccc(F)c4)o3)cc(C(=O)O)c2c1 1789986 DDUMOLZJSPJBKL-UHFFFAOYSA-N 347.345 5.308 0 40 EKAB Cc1ccccc1/N=c1\scc(-c2ccccc2)n1Cc1ccco1 1821263 ZWLWMVMALXASOQ-DQRAZIAOSA-N 346.455 5.399 0 40 EKAB Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 3898852 RIEOGBAXAMAYFY-JOCHJYFZSA-N 346.861 6.004 0 40 EKAB Clc1nc(-c2cccs2)nc2scc(-c3ccccc3)c12 4205963 QAYWIUZKWWQPPP-UHFFFAOYSA-N 328.849 5.740 0 40 EKAB Fc1ccccc1N1N=C(/C=C/c2ccccc2)C[C@@H]1c1ccccc1 5003013 AKKJDTCUTTVQMW-POICXBNUSA-N 342.417 5.847 0 40 EKAB CN(C)CCCCCCCCCCN(C)Cc1cc2ccccc2o1 5342575 YFICXDWYQCHJPA-UHFFFAOYSA-N 344.543 5.547 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 5427129 OMUMQXPIWUEEEG-OOJVVSMXSA-N 330.556 6.881 0 40 EKAB biogenic CCCC(=O)c1cn(CCCOc2cc(C)ccc2C)c2ccccc12 5977916 RKSFBMMDVGUZJE-UHFFFAOYSA-N 349.474 5.710 0 40 EKAB Cc1ccc(N2[C@@H]3CCCN3c3ccc(C)cc3[C@@H]2C(F)(F)F)cc1 6044365 ANDSDOUKOCZWFP-RTBURBONSA-N 346.396 5.353 0 40 EKAB Cc1ccc(-c2onc3ccc(C(=O)Nc4ccccc4F)cc23)cc1 9528991 WRJQRDILLRVZRO-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB CC(C)(C)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 11327450 JYAIBCGYBFKSLR-UHFFFAOYSA-N 348.446 5.210 0 40 EKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1C 14292026 ZLKCNUYFTUQKAX-UHFFFAOYSA-N 349.455 5.407 0 40 EKAB OC1=Nc2ccsc2[C@H](c2cc(C(F)(F)F)ccc2F)SC1 71283770 WONPAYKNHXPVHA-LBPRGKRZSA-N 347.358 5.330 0 40 EKAB COc1ccc([C@H](CC(C)C)NC(=O)c2cc(C)c(C)cc2C)cc1 225646912 SCKRGSCJCWJAQZ-NRFANRHFSA-N 339.479 5.138 0 40 EKAB CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C 409120915 UNIHQBSVBPIDRR-UHFFFAOYSA-N 338.278 6.011 0 40 EKAB O=C(c1ccc(COc2cccc3ccccc23)cc1)N1CCCCC1 998805 IINKTUKJQVRMPA-UHFFFAOYSA-N 345.442 5.045 0 40 EKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1 1507579 NUMUYHIYXWNCRO-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB CC(C)(C)c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 2132894 SCEUEWZPAOEROR-UHFFFAOYSA-N 344.454 5.722 0 40 EKAB Clc1nc2ccccc2cc1CSc1nc2ccccc2o1 5262372 XDPAWGPMLWWEFY-UHFFFAOYSA-N 326.808 5.322 0 40 EKAB Fc1c(F)c(F)c(SN=S=Nc2ccccc2)c(F)c1F 5496169 SXUWGAMHEKBWHA-UHFFFAOYSA-N 336.310 5.171 0 40 EKAB COc1ccc(-c2cc(CSc3ccc(Cl)cc3)on2)cc1 5917778 MPRXRJJDOWFTHF-UHFFFAOYSA-N 331.824 5.296 0 40 EKAB FC(F)(F)c1ccccc1NC(=S)SCc1ccccc1 6575162 WSEKLXFRVLAIFR-UHFFFAOYSA-N 327.396 5.336 0 40 EKAB CCOc1ccc2oc(C(=O)Nc3ccc(C)cc3Cl)c(C)c2c1 7771118 QICALBSIHKUDDT-UHFFFAOYSA-N 343.810 5.354 0 40 EKAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 14388452 NGRZIGHUFAAFOG-VIFPVBQESA-N 328.626 5.138 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2ccccc2)c2ccccc2)cc1 16243012 WIQAXQGWELDZKW-FQEVSTJZSA-N 332.472 5.071 0 40 EKAB CCN(CC)c1ccc(NC[C@@H](C)Oc2c(C)cccc2C)cc1 19737478 NWUWIYLGUPAEQD-GOSISDBHSA-N 326.484 5.029 0 40 EKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)CC(C)C)c3)oc2cc1C 21578617 MMZOQJZFTRHXGT-UHFFFAOYSA-N 336.435 5.405 0 40 EKAB CCCCCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 22258479 ABFKZTDGSURYIB-UHFFFAOYSA-N 345.870 5.229 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccccc1Cl 30864397 MIGXWGLXHWLSAK-MRXNPFEDSA-N 331.843 5.007 0 40 EKAB COc1ccccc1-c1cc(CSCc2ccc(C)cc2)on1 32779143 DKQIMJZRXKGFAR-UHFFFAOYSA-N 325.433 5.092 0 40 EKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc(C(C)C)c(C)c2)cc1 35671973 IAJYVTWNQJIUDI-UHFFFAOYSA-N 348.446 5.643 0 40 EKAB CC[C@H](C)c1cc(C(C)(C)c2ccc(O)c([C@@H](C)CC)c2)ccc1O 44069204 XCUMMFDPFFDQEX-HOTGVXAUSA-N 340.507 6.451 0 40 EKAB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC/C=C/C(=O)OC 64220093 PDCVCNURRHNQMX-GGRNPPCISA-N 344.539 6.861 0 40 EKAB Cc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)cc1 71977914 LNAQRHWHGFDIMI-UHFFFAOYSA-N 330.218 5.008 0 40 EKAB CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 96651924 WXUSYMWUOPZATM-UHFFFAOYSA-N 340.810 5.371 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Cl)cc1C 222980104 DHLPCNBJDLNUID-SFHVURJKSA-N 331.843 5.061 0 40 EKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225549923 KIUPVPOCBASBGE-UHFFFAOYSA-N 343.854 5.189 0 40 EKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641800 OPWXFQUSSYXIOV-XZSJUEPFSA-N 347.499 5.015 0 40 EKAB Cc1cccc(NCc2cccc(OCc3ccc(F)cc3)c2)c1C 409109723 JVRCUXNADBMSCC-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB COCOC(C)(C)/C(C)=C/C=C(/C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C 1560406599 GWUDLXFFVOJSFU-DKFHWMAISA-N 334.500 5.064 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(F)c1)c1ccncc1 506023 NNDHJAFYBFIXCM-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccco4)c3)nc2c1 536218 AKKZIBVNQDQKGG-UHFFFAOYSA-N 346.386 5.464 0 40 EKAB O=C(CCSc1ccccc1)Nc1cc(Cl)ccc1Cl 562918 CNDPCCYNSGJOPO-UHFFFAOYSA-N 326.248 5.114 0 40 EKAB CCCC(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 567529 WJPHDBDVVUIBOJ-UHFFFAOYSA-N 330.387 5.387 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c(C)c1 1266503 NCRBUDVZNIXLBB-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 2637628 LMPNHDKIBYJXDH-KRWDZBQOSA-N 329.443 6.119 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC1CCCCCCC1 2753352 GWPFFJPKESDPQC-PKNBQFBNSA-N 326.267 5.236 0 40 EKAB CCOP(=O)(OCC)[C@@H](Nc1ccc(CC)cc1)c1ccccc1 3032792 SBABDXDGRBJVKJ-LJQANCHMSA-N 347.395 5.626 0 40 EKAB Clc1ccc(CN2CCC(Cc3ccccc3)CC2)c(Cl)c1 3206609 FEFCHYFAEKJTKP-UHFFFAOYSA-N 334.290 5.448 0 40 EKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)S 5732011 NRXKSPXADCTTJA-SESVDKBCSA-N 345.552 5.460 0 40 EKAB CCCO[C@@H](C)CC(c1ccccc1)(c1ccccc1)c1ccccc1 5785238 KCFDIOXFUIPSLM-NRFANRHFSA-N 344.498 6.226 0 40 EKAB CCc1cccc(C)c1NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 6451094 IBAPOOBSHGQQQN-UHFFFAOYSA-N 333.431 5.687 0 40 EKAB Cc1ccc([C@H](Nc2ncnc3sccc23)c2cccs2)cc1 7907575 AEIUPDDPFVRQKM-INIZCTEOSA-N 337.473 5.263 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 7996238 YURDICHNTXQGGT-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8478208 KJILCHJWJQHKTR-GOSISDBHSA-N 345.870 5.261 0 40 EKAB Fc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 9458446 MHSMVNIZAHHZRC-UHFFFAOYSA-N 333.793 6.361 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(C(C)C)cc2)c1 13931197 SZDJHFXCNNYAFY-MRXNPFEDSA-N 326.509 5.474 0 40 EKAB C[C@@H](CCCCCCCCCCCCc1ccccc1)CC(=O)O 16124378 GETJXADZUDOMNR-FQEVSTJZSA-N 332.528 6.631 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cc(F)ccc1F 51354405 UNVFWEYSIJWPJZ-UHFFFAOYSA-N 340.329 5.401 0 40 EKAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1C 73740022 KZUHQLAQEFYMCC-UHFFFAOYSA-N 332.834 5.963 0 40 EKAB Cc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c(C)c1 225025788 CJQFGKPZIYPUQP-JOCHJYFZSA-N 346.426 5.045 0 40 EKAB CCOc1ccccc1NC(=S)N[C@@H](CC)c1ccc(C)cc1C 225714058 XNXZTTLBCBSKRS-KRWDZBQOSA-N 342.508 5.140 0 40 EKAB CCCCc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 408627549 OCYZOFBVHHGENG-UHFFFAOYSA-N 343.426 6.181 0 40 EKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl 372016 CTPQCWPLBIXMJK-UHFFFAOYSA-N 349.044 5.481 0 40 EKAB Cc1c(CCC(C)C)oc2cc3oc(CCC(C)C)c(C)c3cc12 1705363 FKYMBTZSWQBPSW-UHFFFAOYSA-N 326.480 6.973 0 40 EKAB CCOC(=O)CCCCCC(=O)c1cccc(Oc2ccccc2)c1 2580410 DIPHSBSMUBBNIK-UHFFFAOYSA-N 340.419 5.175 0 40 EKAB Cc1ccc(C(=O)Oc2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 4416175 SHUSXGHZAQGAPT-UHFFFAOYSA-N 339.391 5.170 0 40 EKAB COc1ccc(N/C=C(\Cl)P(=O)(OC(C)C)OC(C)C)cc1 4599993 ATVWCOZBSILTJK-XNTDXEJSSA-N 347.779 5.188 0 40 EKAB CSc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 8241372 PHGOSHMRMACGBT-HWPZZCPQSA-N 344.505 5.024 0 40 EKAB CCC[C@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1ccccc1 8389462 GWZPRMIUYOIHSF-ZDUSSCGKSA-N 337.250 5.098 0 40 EKAB Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 14202322 GJDDVZLWVRSCLX-DLBZAZTESA-N 348.471 5.293 0 40 EKAB COc1ccc(/N=c2\ssc3c(=S)ssc23)cc1 17194704 FVECGOHKWKHWCW-BENRWUELSA-N 329.518 5.056 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(F)ccc1F 22568620 MLKPJTMXOGUNLJ-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 30857167 MZJGMWJBUFHPFJ-KRWDZBQOSA-N 339.479 5.559 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cs1 64677338 VGERMPYMZSPTAV-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB CC[C@H](C)Oc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C 95915481 BPXILTSQYSDJMU-LBPRGKRZSA-N 341.333 6.221 0 40 EKAB CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 100003477 NQLHGECGZRJQLF-HDICACEKSA-N 342.473 7.486 0 40 EKAB Cc1ccc(-c2n/c(=N\c3ccccc3)sn2-c2ccccc2)cc1 100865615 ABAQLLBBDUFNCN-QURGRASLSA-N 343.455 5.142 0 40 EKAB COc1ccc(-c2c/c(=N\C3CCCCC3)c3cc(C)ccc3o2)cc1 101268589 KHIAEWGQUQBZQU-DARPEHSRSA-N 347.458 5.650 0 40 EKAB O=C1C[C@H](c2ccc(Cl)cc2Cl)Nc2ccc3ccccc3c21 276263 FWYNTGBGFXYXOM-QGZVFWFLSA-N 342.225 5.886 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 363776 HOHGKGYERHFNOE-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB COc1ccc(C(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1OC 365016 RJHROXKURJHJAH-UHFFFAOYSA-N 348.826 5.008 0 40 EKAB O=C(Nc1ccc(F)cc1)c1[nH]c2ccccc2c1-c1ccccc1 1382838 WERQTBWEMBSYAT-UHFFFAOYSA-N 330.362 5.226 0 40 EKAB c1ccc(CCCCc2ccc(CCCCc3ccccc3)cc2)cc1 1703236 RIHIFVCYQITZLZ-UHFFFAOYSA-N 342.526 6.817 0 40 EKAB CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 13689761 LTXWAEMTDQYPDG-NRFANRHFSA-N 345.833 5.353 0 40 EKAB CCc1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn12 17172976 VNGZVGOUTLVKLQ-UHFFFAOYSA-N 342.512 5.010 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)N(C)C3CCCC3)cc2)cc1 19932490 MWBNRGRJLLTMQU-UHFFFAOYSA-N 339.504 5.302 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1c(C)cc(C)cc1C 20484708 RGSBFKUNIYYKTK-INIZCTEOSA-N 331.843 5.061 0 40 EKAB CC(C)C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 22517682 FEEINWDPZAKZRR-HYSAVQALSA-N 327.855 5.257 0 40 EKAB Cc1ccc(-c2nnc(-c3sc4ccccc4c3Cl)o2)cc1 27023331 FPQMIGOTCMPWMK-UHFFFAOYSA-N 326.808 5.580 0 40 EKAB CC1(C)NC[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1 39409538 XNXXTZVYIJSAOG-AFBZNQPGSA-N 345.571 5.514 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)Nc1cccc(Br)c1 51354367 ZIFNODIHBXMBPW-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB COc1ccc2nc(Nc3nc4cc(C(C)C)ccc4o3)sc2c1 57353000 IAUVTRXTQXQFTI-UHFFFAOYSA-N 339.420 5.313 0 40 EKAB CCCCN[C@H](C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1 58167003 GRVZLZDZFGPLPO-NRFANRHFSA-N 334.463 5.044 0 40 EKAB COCCCc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 63630124 UIYMTTGYPHZFON-UHFFFAOYSA-N 325.433 5.181 0 40 EKAB Cc1ccc(C)c(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 66012438 LOPWRGZLHIMWOX-QGZVFWFLSA-N 340.536 5.346 0 40 EKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100020369 XCJXQCUJXDUNDN-MKTOGPLKSA-N 338.876 5.024 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2ccccc2)c2ccccc2)c(C)c1 225766744 DZLZRCYZYKEVCU-NRFANRHFSA-N 346.499 5.379 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(SCc4ccc(F)cc4)c23)C1 84861 KEGKOLOGTBRICK-LLVKDONJSA-N 344.480 5.248 0 40 EKAB Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc2ccccc2c1 219230 PCXJUXAJZGKYQK-UHFFFAOYSA-N 327.383 5.661 0 40 EKAB aggregator CCc1ccc(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)cc1 484096 MMPURMRSCOFYCF-UHFFFAOYSA-N 346.474 5.240 0 40 EKAB CCCCC[C@@H](CN(C)C)C(=O)C[C@H](SCC)c1ccccc1 1573423 OEIWDVKEOZSUBI-ICSRJNTNSA-N 335.557 5.198 0 40 EKAB c1ccc(CN2CCCC(c3ccccc3)=C2c2ccccc2)cc1 1664751 YQMNQLYDJFUMJK-UHFFFAOYSA-N 325.455 5.851 0 40 EKAB Clc1ccc(NN(c2ccccc2)c2ccc(Cl)cc2)cc1 1711891 CBVBIHNWRMOOKZ-UHFFFAOYSA-N 329.230 6.159 0 40 EKAB Cc1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 2661976 OWEAZHWKTBRMBC-UHFFFAOYSA-N 339.382 5.053 0 40 EKAB CCCCCCC(=O)OC[C@H](CCCCC)[C@@H](O)CCCCCC 4775047 HSGDEAZAEPDKAI-PMACEKPBSA-N 342.564 6.028 0 40 EKAB OC1=N[C@@H](/C=C/c2ccccc2)Nc2scc(-c3ccccc3)c21 6529051 BEWSKUAHNCHSEI-FMQWLBJXSA-N 332.428 5.185 0 40 EKAB CSc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2cccs2)c1 8324133 KHHPXBHBTYFDPZ-CQSZACIVSA-N 337.897 5.101 0 40 EKAB O=C(NC1CCCCCCC1)c1ccccc1CCc1ccccc1 13688423 GOMUILDPPYIXNX-UHFFFAOYSA-N 335.491 5.315 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2ccccc2c1 30754645 QHPVVZHAZNIQTN-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(C)c2)cc1OCC 33752905 MYZGPCYRJXBKJL-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)cc1 36620669 HUBBJLBQZWHXDU-SFHVURJKSA-N 344.842 5.026 0 40 EKAB Clc1cccnc1SCc1ccc(OCc2ccncc2)cc1 48365682 NNPGDFIVCYMMJP-UHFFFAOYSA-N 342.851 5.001 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCCCC(=O)OC 71791050 ABGHYAFHPINIHF-NRAUZEMASA-N 346.555 7.085 0 40 EKAB Cc1cc2c(cc1C)N[C@H](c1ccccc1)C1=C(O)CC(C)(C)CC1=N2 102643719 MYVQDKNWWJSXFV-JOCHJYFZSA-N 346.474 6.175 0 40 EKAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 222900810 BAZJEFLIAOWOJC-MRXNPFEDSA-N 335.491 5.354 0 40 EKAB Cc1c(Cl)cccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225070798 PVHMNQRUWYCREQ-SFHVURJKSA-N 346.854 5.021 0 40 EKAB Cc1ccc(CSc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1 115449 HLZMMWNZMQHQLQ-UHFFFAOYSA-N 337.492 5.370 0 40 EKAB CC(C)CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 497455 OEVHCUPXIRXTSV-UHFFFAOYSA-N 343.279 5.025 0 40 EKAB CCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1 551235 IIEOIVJCHJRDKA-LJQANCHMSA-N 349.478 5.132 0 40 EKAB Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl 2521613 BMXRLHMJGHJGLR-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB O=C(Nc1cccc2ccccc12)C(c1ccccc1)c1ccccc1 3087251 QILBHGMGVSQGRA-UHFFFAOYSA-N 337.422 5.610 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc2c(c1)CCCC2 3150703 GLMSNZXOCOEYQR-UHFFFAOYSA-N 336.218 5.483 0 40 EKAB CC(C)Cc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 4027337 HYQKNKPJTXUTTH-GOSISDBHSA-N 337.507 5.826 0 40 EKAB biogenic Oc1cccc2ccc(/C=C/c3ccc(-c4cccc(Cl)c4)o3)nc12 5102311 OZUHBKRRWNABKU-MDZDMXLPSA-N 347.801 6.024 0 40 EKAB CCOC1(c2ccccc2)c2ccccc2C(C)(C)c2ccccc21 5121202 AXGAEZQVTCUIIW-UHFFFAOYSA-N 328.455 5.654 0 40 EKAB CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCC 6350956 UBEGOOVTYFSROM-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB COc1ccc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 7518634 AXHMACBNQIFEBL-UHFFFAOYSA-N 349.459 5.248 0 40 EKAB CCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 9141037 QCJLMPLWRHACBF-UHFFFAOYSA-N 335.190 5.150 0 40 EKAB c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 12080487 WIPFNUCTWXNWNH-KBXCAEBGSA-N 338.457 5.052 0 40 EKAB Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1F 13794300 UNQACFJYSSDHMI-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB COc1ccc(NC(=S)Nc2cc(Cl)ccc2C)cc1Cl 13935139 YVGNWFRKEWSJJC-UHFFFAOYSA-N 341.263 5.119 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14396932 WKLSVHRXUPYSKR-OAHLLOKOSA-N 345.870 5.234 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H](C)c2ccc3ccccc3c2)c1 24977256 DQCHYJVQDCJZEZ-MSOLQXFVSA-N 346.474 5.134 0 40 EKAB CC1(C)C[C@H](NCCC2(Cc3ccc(F)cc3)CCCCC2)CCO1 32073370 XXFKJHGZDOLLAF-HXUWFJFHSA-N 347.518 5.256 0 40 EKAB C[C@@H](NCc1sc2ccccc2c1Cl)c1ccccc1Cl 32740410 QOQKWLOXPJVUAW-LLVKDONJSA-N 336.287 6.059 0 40 EKAB Cc1ccc(C)c(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)c1 33027688 MVCWUCLOLGSISO-UHFFFAOYSA-N 347.458 5.752 0 40 EKAB Cc1ccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c(C)c1 89614217 FXGFIEPZPVCUMA-UHFFFAOYSA-N 339.442 5.966 0 40 EKAB C[C@@H](NC(=S)Nc1ccc2ccccc2c1)c1cc2ccccc2o1 95949822 WKQHVKBHJVCIJG-CQSZACIVSA-N 346.455 5.634 0 40 EKAB COC(=O)c1cccc(COc2ccc3occ(-c4ccco4)c3c2)c1 96116551 SBJXNXWVTJCGLK-UHFFFAOYSA-N 348.354 5.058 0 40 EKAB biogenic O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 98071659 LNXYPRRIOZYXNH-UHFFFAOYSA-N 349.139 5.656 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)c1 113935237 RQSRBIXAZSEEJW-HNNXBMFYSA-N 347.911 5.067 0 40 EKAB CC(C)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222686648 NWRNDMDEZOKAOY-UHFFFAOYSA-N 347.911 5.974 0 40 EKAB CCc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 223156310 FTQJOTTTWRLJTF-UHFFFAOYSA-N 341.760 5.102 0 40 EKAB Cc1ccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225386570 PQTUAAKZPANXDX-UHFFFAOYSA-N 326.509 5.038 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1C 225759773 SOVNVMBXAAWBGU-LJQANCHMSA-N 326.509 5.296 0 40 EKAB CCCN(CCC)[C@@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1 408734103 JJSUQQZWYJADRY-LJQANCHMSA-N 344.886 5.142 0 40 EKAB CCc1cc(C(=O)NCCc2cccs2)sc1-c1ccccc1 585152344 RIQXHVGTBPDIST-UHFFFAOYSA-N 341.501 5.012 0 40 EKAB Cc1ccc(-c2cccc([C@]3(C)C[C@@H]3C(=O)O)c2)cc1C(F)(F)F 1615058099 LMRHHFBBVXBHIW-AEFFLSMTSA-N 334.337 5.043 0 40 EKAB Cc1ccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 203097 SSILDUYKHNHEEN-UHFFFAOYSA-N 346.405 5.111 0 40 EKAB Cc1ccn2c(NC3CCCC3)c(-c3ccc(Cl)cc3)nc2c1 417896 HVVMLEQJXNHZCK-UHFFFAOYSA-N 325.843 5.318 0 40 EKAB CCCCN(CCCC)C[C@H](O)c1ccc(Cl)c(C)c1Cl 1683258 SGEGJUUAHSLYGV-INIZCTEOSA-N 332.315 5.237 0 40 EKAB COc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1 2048794 BCSXZZNJVQELLP-UHFFFAOYSA-N 337.806 5.268 0 40 EKAB O=C(Cc1cccc2ccccc12)Nc1ccccc1N1CCCCC1 3362669 KXQPSKMUGRPVEL-UHFFFAOYSA-N 344.458 5.011 0 40 EKAB O=C(c1cc2ccccc2o1)N1CCC[C@@H]1c1nc2ccccc2s1 3443602 YVVYWIQUJHVOEB-OAHLLOKOSA-N 348.427 5.020 0 40 EKAB CCCCc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 4666218 MRHMXCJWJYJRSQ-UHFFFAOYSA-N 333.431 5.200 0 40 EKAB O=C1Nc2ccccc2S/C1=C/c1cccc(Oc2ccccc2)c1 6603171 VJAIGORKICOCIT-XSFVSMFZSA-N 345.423 5.564 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(Cl)c1 13994611 WWCIDIISRQHZCG-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 15539459 KCIGDOIIHXFOOT-SFHVURJKSA-N 329.443 5.116 0 40 EKAB Cc1nc2ccccc2nc1-c1cc2cc(Br)ccc2o1 16265599 ANGNNYSQUBAJFH-UHFFFAOYSA-N 339.192 5.114 0 40 EKAB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(C)cc1 20495757 FOKBZJNNTDQFFM-SXAWMYDMSA-N 348.273 5.583 0 40 EKAB Cc1cc(OCCSc2nc3ccccc3[nH]2)cc(C)c1Cl 32499970 OQORZBLAQKHXPL-UHFFFAOYSA-N 332.856 5.004 0 40 EKAB Cc1cc2c(cc1C)[C@H](Nc1ccc(Cl)c(Cl)c1)NC(C)(C)C2 35686395 KLMJXRHDNMPJGS-GOSISDBHSA-N 349.305 5.645 0 40 EKAB Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1c1cccc(F)c1 48261306 YYNPBUMQBIIOQJ-FQEVSTJZSA-N 336.410 5.126 0 40 EKAB Clc1ccc(OCc2ccc(Br)cc2)cc1Cl 70133480 KCXOGHBDLRVKCA-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB O=C(c1ccc(O)cc1)c1sc2ccccc2c1-c1ccc(O)cc1 77301935 YCHUQIIHHWWHLR-UHFFFAOYSA-N 346.407 5.211 0 40 EKAB in-vitro C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccc2ccccc2c1 95407526 QHEVUHQFXGHMNM-SFHVURJKSA-N 345.490 5.076 0 40 EKAB Cc1cc(NC(=O)C2(C)CCCC2)cc(C)c1OCc1ccccc1 225598448 OMXIDTLSVGTRSY-UHFFFAOYSA-N 337.463 5.401 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 36350 ONAFOBKUSMYFFG-ZANVPECISA-N 332.658 5.178 0 40 EKAB Oc1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1 65036 PXISWZMWKFQOAG-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccco1 482303 ULJSXEUIQRCYRN-UHFFFAOYSA-N 329.355 5.477 0 40 EKAB COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1cccc2ccccc12 551729 ARFJJGYBQSPOQR-UHFFFAOYSA-N 329.399 5.303 0 40 EKAB biogenic CCCCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 2518092 JJWGZJGZKSUOCJ-UHFFFAOYSA-N 332.484 5.171 0 40 EKAB O=C(O[C@H]1CCCC[C@@H]1C1CCCCC1)C(Cl)(Cl)Cl 4726144 NBNJNFUHTVVPMM-NEPJUHHUSA-N 327.679 5.039 0 40 EKAB O=C1O[C@H](c2ccccc2)CC1(Cc1ccccc1)Cc1ccccc1 5732117 MAUIIAKFUZUURY-QFIPXVFZSA-N 342.438 5.146 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 6306988 DAAGNZCYECYEEQ-ZIAGYGMSSA-N 331.843 5.260 0 40 EKAB Cc1ccccc1-c1nc(CN(Cc2ccccc2)CC2CC2)c(C)o1 12479828 NREUEUGZGZCINR-UHFFFAOYSA-N 346.474 5.371 0 40 EKAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)c1c[nH]c2ccccc12 12510523 YGCXZNPFFXBNMQ-CYBMUJFWSA-N 332.428 5.080 0 40 EKAB O=C(Nc1ccccc1)c1sc(-c2ccco2)nc1-c1ccccc1 24988570 RLUKNRXINMHWJR-UHFFFAOYSA-N 346.411 5.322 0 40 EKAB CCCCC/C(=C\c1ccccc1)[C@@H]1OCC(C)(C)[C@H](C(C)C)O1 38194688 PPSVGIOXFWDWGG-XODYZLNCSA-N 330.512 6.074 0 40 EKAB Cc1ccc(CSc2nccn3nc(-c4ccccc4C)cc23)cc1 38651801 NXXZIMVTAMAVHY-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB CCCN(C(=O)Nc1ccc(C)cc1F)[C@H]1CCc2ccccc21 58305036 HRVAZMATTANIAN-IBGZPJMESA-N 326.415 5.066 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1 59241197 GLKMDJWWTFFQHQ-UHFFFAOYSA-N 339.847 5.744 0 40 EKAB CCCCn1c(-c2ccc(Cl)s2)cs/c1=N/c1ccccc1 105756200 BBOFRPNJLHWBSM-HTXNQAPBSA-N 348.924 5.964 0 40 EKAB CC(C)C(NC(=O)CSCc1ccc(Cl)c(Cl)c1)C(C)C 216394089 QXGLPBXTJZFHAN-UHFFFAOYSA-N 348.339 5.023 0 40 EKAB CCOc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 222681907 MDCSROMFSCCLHV-UHFFFAOYSA-N 349.883 5.250 0 40 EKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc2ccccc12 225651660 GPKZEPHRPWJEKT-MRXNPFEDSA-N 345.442 5.125 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C)c1 225652464 JOOAANDJDGUQKH-HXUWFJFHSA-N 335.488 5.098 0 40 EKAB O=C(Nc1ccc(CSc2ccccc2)cc1)NC1CCCCC1 225754580 DHQAKVUPDWAWIC-UHFFFAOYSA-N 340.492 5.433 0 40 EKAB Cc1c(OCc2cccc3ccccc23)ccc2c1OC(C)(C)CC2=O 38344 WRJQEUFPUBRQAW-UHFFFAOYSA-N 346.426 5.471 0 40 EKAB CCC(=O)N1c2cc(C)c(C)cc2-c2c(ssc2=S)C1(C)C 169602 FHUBXUGUEODTMW-UHFFFAOYSA-N 349.546 5.815 0 40 EKAB O=C(c1ccc(Cl)cc1)[C@H](CN1CCCCCC1)c1ccccc1 495064 RUULYUYZHVPRFZ-HXUWFJFHSA-N 341.882 5.183 0 40 EKAB CC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc(Cl)cc1 2371182 HWMOIDSUNSVYSQ-SFHVURJKSA-N 333.859 5.111 0 40 EKAB CC(C)N(C(=O)c1ccc(OCc2ccccc2Cl)cc1)C(C)C 7700049 WWRNUIZYUOHPIO-UHFFFAOYSA-N 345.870 5.178 0 40 EKAB CSc1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 7940522 UNKWMTQKKFUOBG-UHFFFAOYSA-N 334.444 5.086 0 40 EKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)CCC2 8342378 XQCZNCVVXYUEFU-UHFFFAOYSA-N 339.744 5.100 0 40 EKAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C[C@]12CS2 12657218 NQUOVPHNWQLADQ-MPUFAEPPSA-N 334.569 5.122 0 40 EKAB Cc1ccccc1[C@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1 12945724 TVNFCTRSADKHKJ-GOSISDBHSA-N 347.443 5.255 0 40 EKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2Cl)s1 28616266 MOQHFWMBMSNHEN-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB O=C(/C=C/c1ccccc1)N1CCCC[C@@H]1c1nc2ccccc2s1 32772698 QXJSGKJPXFZBIA-KAUXGEHWSA-N 348.471 5.063 0 40 EKAB COc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1 33027706 ZFQOHWWUOUZJTQ-UHFFFAOYSA-N 349.430 5.143 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 64982956 YZLIXPHPJIRRQP-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CCOc1ccc(/C=C2/C(=O)N(CC)c3ccccc32)c2ccccc12 98086817 YYKIXYKVTTWRGP-HMMYKYKNSA-N 343.426 5.146 0 40 EKAB CCN1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1 102671010 MBOGVPYNONBYKW-QFIPXVFZSA-N 346.474 5.972 0 40 EKAB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118912628 ZWJSLCYDYKYAGX-NQQYONMLSA-N 346.599 6.444 0 40 EKAB CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222909672 WYTXNBIVOKCRQN-HXUWFJFHSA-N 339.479 5.343 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C 223396265 NCRWQHHYMTXMGA-YFPIXMDGSA-N 349.518 5.800 0 40 EKAB FC(F)(F)c1ccccc1OCOc1ccccc1C(F)(F)F 2362803714 ANDSMGOXUFLEPF-UHFFFAOYSA-N 336.231 5.140 0 40 EKAB Fc1cnc(Nc2cccc(Cl)c2)nc1Nc1cccc(Cl)c1 187087 RUPMYJYSOQCMBT-UHFFFAOYSA-N 349.196 5.410 0 40 EKAB Cc1ccc([C@@H](CC(=O)c2ccco2)Sc2ccccc2N)cc1 239424 SQPXZQWQDSTMGX-HXUWFJFHSA-N 337.444 5.277 0 40 EKAB Cc1c(CSc2nc3ccccc3[nH]2)cccc1-c1ccccc1 314346 DONYNHLOCBEGLD-UHFFFAOYSA-N 330.456 5.831 0 40 EKAB Cc1cccc(C)c1Nc1c(-c2ccc(Cl)cc2)nc2ncccn12 428770 AJMBQGHPCPPDPX-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12 494830 MRTWVJIJMXGWAW-UHFFFAOYSA-N 330.309 5.503 0 40 EKAB CCC[C@@H](Nc1nc(C)nc2sc3c(c12)CCC3)c1ccccc1 3416937 BHOGVLLSBGUBNM-MRXNPFEDSA-N 337.492 5.442 0 40 EKAB CN(C)c1ccc2c(c1)N(C)c1ccccc1[C@]2(Cl)c1ccccc1 4522600 KWRMDCFPDHDWRO-JOCHJYFZSA-N 348.877 5.365 0 40 EKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 6358209 NTERVHGVZLFMGI-HXUWFJFHSA-N 347.414 5.275 0 40 EKAB Clc1nc2ccccc2cc1CSc1ncnc2sccc12 6606604 ZLCXTBLAHPXCIM-UHFFFAOYSA-N 343.864 5.185 0 40 EKAB Cc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 7279158 QSJWMXHHSLAPKB-JOCHJYFZSA-N 340.426 5.512 0 40 EKAB C[C@@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(Cl)cc1 10277433 PNYULROTIFYPDA-CHWSQXEVSA-N 342.826 5.208 0 40 EKAB c1ccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 12650325 IITGKGWZWGRXRG-UHFFFAOYSA-N 348.449 5.829 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1Cl 14495911 HTVKTSMKCJRDTR-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB c1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1 17903822 QNNWGJWCACQZQK-UHFFFAOYSA-N 344.464 6.240 0 40 EKAB Cc1ccc(-c2nc(CN(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cs2)o1 48237042 SXNFOWZTVWQJTO-BLLLJJGKSA-N 342.464 5.060 0 40 EKAB CN(Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCc2ccccc21 48343929 YBRBZUVJUQEVBP-FQEVSTJZSA-N 338.838 5.114 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1Cl 58839966 UFWHSNRQHWTXRW-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB O=C1c2ccccc2N[C@@H](c2ccccc2)N1Cc1ccc(Cl)cc1 59498073 KKPNEQLUPYMXPZ-HXUWFJFHSA-N 348.833 5.107 0 40 EKAB Cc1ccc(-c2nc(C)c(C(=O)Nc3c(C)cccc3Cl)s2)o1 174427480 KIWTWSHSFVYMJI-UHFFFAOYSA-N 346.839 5.234 0 40 EKAB Cc1ccc([C@H](NC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1 216450532 SQMNGCOYSXRXRU-JOCHJYFZSA-N 349.861 5.097 0 40 EKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC)c2ccccc12 225844091 OBCYFNYYDWWTPK-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB Fc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2)cc1 409172377 GEMLRTJMMRJWIQ-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 585162597 XYFUVLIWAXYEIS-XANVIZKASA-N 329.871 5.607 0 40 EKAB CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1Cl 262177 QUVOIUNTHBKFTD-UHFFFAOYSA-N 325.795 5.144 0 40 EKAB S=C(Nc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 318534 DPQAMIPNGRRZSD-UHFFFAOYSA-N 334.444 5.075 0 40 EKAB CCN(C(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 932759 CVWIIBJHDATFMF-UHFFFAOYSA-N 348.899 5.397 0 40 EKAB Clc1cc(Cl)c(Nc2ccccn2)cc1Nc1ccccn1 5391140 CDVGDABVMFSHGC-UHFFFAOYSA-N 331.206 5.271 0 40 EKAB Cc1ccc2c(Cl)cc(Cl)c(OC(=O)c3cccs3)c2n1 6509023 CMPLCKUPAKVIAT-UHFFFAOYSA-N 338.215 5.131 0 40 EKAB CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 13961157 RRKRGXHVFHPLRS-UHFFFAOYSA-N 349.812 5.798 0 40 EKAB COc1ccc(OC)c([C@@H]2O[C@H]3CCCC[C@@H]3c3sc(C)cc32)c1 15022799 HOBBDLHPRHUDAZ-JVPBZIDWSA-N 344.476 5.220 0 40 EKAB Fc1ccc(CCNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 22107479 GHRVJURKCBEXKA-UHFFFAOYSA-N 347.792 5.211 0 40 EKAB CC(C)(C)NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 27024915 JGFJKDZBKZSOEM-UHFFFAOYSA-N 336.671 5.390 0 40 EKAB CCc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1 28717253 LVLJAFVOPLDBLL-UHFFFAOYSA-N 340.448 5.143 0 40 EKAB Cc1cc(C)c2nc(Nc3ccc(Br)cc3)cc(C)c2c1 41127837 AORVODZFTNQHSR-UHFFFAOYSA-N 341.252 5.666 0 40 EKAB COc1ccc(-c2nc3ccc(C)cc3s2)cc1Br 45923479 HVFSECFWXMSKPW-UHFFFAOYSA-N 334.238 5.043 0 40 EKAB O=C(CCc1ccc2ccccc2c1)Nc1ccc(N2CCCC2)cc1 65516954 HMNPWELBSSWBRQ-UHFFFAOYSA-N 344.458 5.011 0 40 EKAB CC(C)(C)c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 73639666 DRNMZPJTSIAVRY-UHFFFAOYSA-N 327.427 6.459 0 40 EKAB CC[C@H](C)Oc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C 95915475 TWQWNBARRZKQGA-LBPRGKRZSA-N 341.333 6.221 0 40 EKAB C[C@]1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CS1 118918203 QOPVNDPJLOUFPN-HSZHAZPASA-N 346.580 5.432 0 40 EKAB O=C(c1ccc(Br)c(C(F)(F)F)c1)C1CCCCC1 164030506 YWVHEELYFAMABA-UHFFFAOYSA-N 335.163 5.231 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccccc2C(C)C)cc1C(C)C 225659641 DZNPUXPDFUESIE-UHFFFAOYSA-N 325.452 5.503 0 40 EKAB Cc1cc(C)cc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225806058 YHZMALHWPOENKC-UHFFFAOYSA-N 340.536 5.346 0 40 EKAB Cc1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225840916 RUCUBHVFZPQXOJ-UHFFFAOYSA-N 338.520 5.227 0 40 EKAB CCOc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1 394442745 OIKRHXNZBZIQBT-UHFFFAOYSA-N 333.431 5.276 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OCC 409119508 PWLAWDPVRMYVPB-UHFFFAOYSA-N 347.886 5.756 0 40 EKAB C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 1773078 AEXWSMVZORVWML-MRXNPFEDSA-N 325.415 5.470 0 40 EKAB in-vivo CCCOc1ccc(N[P@@](C)(=O)Oc2ccc(CC)cc2)cc1 1847529 ZDWDAYKHMMZSBA-QHCPKHFHSA-N 333.368 5.352 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3OC)ccc21 2051798 OHKVVYJZEXDHSB-UHFFFAOYSA-N 344.414 5.075 0 40 EKAB CCc1cc(=O)oc2c(C)c(OC/C=C(/C)CCC=C(C)C)ccc12 2134498 WKUWGOFUKNHFDG-VBKFSLOCSA-N 340.463 5.735 0 40 EKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1Oc1ccccc1 3391986 PDFWICXPAMJKTB-UHFFFAOYSA-N 342.398 5.141 0 40 EKAB Clc1ccccc1[C@@H]1CC(c2ccccc2)=Nc2ccccc2S1 4336428 OFZHWFSIDOELHN-NRFANRHFSA-N 349.886 6.698 0 40 EKAB CC(=O)c1cccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)c1 5520745 QDZCTCHUOSDAHT-UHFFFAOYSA-N 344.336 5.508 0 40 EKAB C[C@@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 7524470 GDLAXTKNRICXES-CYBMUJFWSA-N 346.257 6.104 0 40 EKAB Oc1cccc2ccc(/C=C/c3ccc(F)c(Br)c3)nc12 13135321 WNEGWFCGDFBPBL-QPJJXVBHSA-N 344.183 5.012 0 40 EKAB Clc1ccc2nc(-c3ccccc3)nc(Nc3ccccc3)c2c1 13633711 PUCBFLADGJGXIV-UHFFFAOYSA-N 331.806 5.694 0 40 EKAB CSc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 14577013 GWFRDARUXKMDRK-OAQYLSRUSA-N 347.483 5.236 0 40 EKAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(C(C)(C)C)cc1 15841856 CPBXJKSOUWAFJX-UHFFFAOYSA-N 344.458 5.044 0 40 EKAB CC(C)(C)c1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1 19738227 UUQPLKALBJQVKR-OAQYLSRUSA-N 339.479 5.154 0 40 EKAB CCCCCCOc1cccc(NCCc2ccc(OC)cc2)c1 19738336 MECVYIAMWPLPKW-UHFFFAOYSA-N 327.468 5.309 0 40 EKAB Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1-c1ccccc1 19776363 XTJWHMPVEBECBN-UHFFFAOYSA-N 327.836 5.190 0 40 EKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl 21595616 IYRHBFRIPCDTDS-UHFFFAOYSA-N 345.870 5.434 0 40 EKAB C[C@H](NC(=O)c1c(F)cccc1F)c1ccc(-c2ccccc2)cc1 32978405 DWJWOUIOQGHMLP-AWEZNQCLSA-N 337.369 5.123 0 40 EKAB CCCC[C@H](C/C=C\C=C\CCC[C@@H](C)O)c1ccccc1C(=O)O 33955890 NYDNWAYCRJADHT-CGXADJLSSA-N 344.495 5.712 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(C)C)cc1 44844620 QFJZCGDEEPJOOG-JOCHJYFZSA-N 347.458 5.759 0 40 EKAB Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C/c1ccc(Cl)c(Cl)c1 100060273 DOFZPOGIYUVLDR-WUXMJOGZSA-N 338.215 5.028 0 40 EKAB Cc1ccsc1[C@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 102671457 VCQBRIMGWSDBEX-SFHVURJKSA-N 338.476 5.928 0 40 EKAB C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 220014693 VSKYBGZNQVVUED-HNNXBMFYSA-N 343.898 5.448 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223401848 XPTQHWCMDGYJNN-QZTJIDSGSA-N 341.520 5.278 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225705793 ZFQKDRWAJPOYJC-SFHVURJKSA-N 341.879 5.053 0 40 EKAB Cc1ccccc1CNC(=S)c1cccc(OCc2ccccc2)c1 408576455 YCZRUGHCPQUUSC-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB Cc1ccc(Oc2c(F)cccc2OCCN(C(C)C)C(C)C)cc1 2037873294 YMCRIFUDYGSTHD-UHFFFAOYSA-N 345.458 5.424 0 40 EKAB CC(C)(C)c1cc(-c2ccc(Br)cc2)cc(C(C)(C)C)c1 2362801550 RJFSNHHXDIZQCA-UHFFFAOYSA-N 345.324 6.711 0 40 EKAB CCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 43055 DNCAMWOMXPEUKX-UHFFFAOYSA-N 331.824 5.206 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)noc1C 483656 PTNQPKFYMKZBJZ-UHFFFAOYSA-N 334.419 5.027 0 40 EKAB COc1ccccc1N[C@H](c1cccnc1)c1c(C)[nH]c2ccccc12 1281019 MATAOEDSBNIETG-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB CCCC[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccccc1 2361021 ADZVWLLNCYUOKA-DHIUTWEWSA-N 349.518 6.008 0 40 EKAB O=C(Oc1cccc(Oc2ccccc2)c1)c1c(F)cccc1Cl 3279478 LDRJTGISRXXCOF-UHFFFAOYSA-N 342.753 5.491 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4027851 WIWIXNXBHJVZNI-FDQZTKHMSA-N 344.539 5.151 0 40 EKAB biogenic CSc1ccc(-c2nc3cnccn3c2Nc2ccccc2C)cc1 4597380 HPYFQMBJZGIWTQ-UHFFFAOYSA-N 346.459 5.170 0 40 EKAB Fc1ccccc1-c1cc(-c2ccccc2)nc2ccc(Cl)cc12 7847878 YKKJHANLCHQHHN-UHFFFAOYSA-N 333.793 6.361 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc3ccccc3c2)cc1 10332133 PCTZOYRIYNCTLY-UHFFFAOYSA-N 331.459 5.709 0 40 EKAB C[C@@H](NC(=O)CSCc1ccccc1)c1ccc(C(C)(C)C)cc1 13647499 HTNYHUKQDLDZFT-MRXNPFEDSA-N 341.520 5.095 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 20488176 ILNZPDPMRNJDOD-GOSISDBHSA-N 339.822 5.289 0 40 EKAB CCCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 20875611 VOUOMVAIBUXZFK-UHFFFAOYSA-N 342.664 5.252 0 40 EKAB CC[C@H](C)c1cc(C(C)(C)c2ccc(O)c([C@H](C)CC)c2)ccc1O 44069199 XCUMMFDPFFDQEX-IYBDPMFKSA-N 340.507 6.451 0 40 EKAB CC[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(C)cc1 44902112 FMHPPHIIYAFVSP-SFHVURJKSA-N 347.911 5.149 0 40 EKAB C[C@H](N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 57315275 XGPDUCSHOQTBSA-ZWKOTPCHSA-N 344.458 5.031 0 40 EKAB Cc1ccc2oc(/C=C/C(=O)Nc3ccc(Cl)cc3Cl)cc2c1 67339645 FWMQQOJTRKIQKC-QPJJXVBHSA-N 346.213 5.700 0 40 EKAB CCCCN(C(=O)/C=C/c1csc(C)n1)[C@H](CC)c1ccccc1 72285131 XKJACKDQSDOBSS-JXOMPUQVSA-N 342.508 5.245 0 40 EKAB CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 102672126 QTCCWCRPTWVSSV-MCEIDBOGSA-N 337.507 5.074 0 40 EKAB CCCC[C@@H](CC)CNC(=O)CSCc1ccc(Cl)cc1F 225117502 PQJFVERUARUFDW-CYBMUJFWSA-N 345.911 5.045 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225468695 RINJNDIYGUMOHG-LBPRGKRZSA-N 338.398 5.061 0 40 EKAB CCc1ccc([C@H](C)NC(=O)c2ccccc2SC(C)C)cc1 225538719 LSDQXFHZFZTGDV-HNNXBMFYSA-N 327.493 5.241 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225624312 YNLASMQJSDDYED-FQEVSTJZSA-N 335.488 5.016 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225704963 GFTQPRVHAANLSG-FQEVSTJZSA-N 335.488 5.016 0 40 EKAB Cc1ccc(-c2[nH]c(=Nc3ccc(C)c(Cl)c3)sc2C)cc1C 409039104 BMNZYXFVZJOZTE-UHFFFAOYSA-N 342.895 5.863 0 40 EKAB CCCC[C@@H](CC)C(=O)c1cccc(OCc2cccc(F)c2)c1 575357330 GTZXSHZHYDPSPA-QGZVFWFLSA-N 328.427 5.804 0 40 EKAB Cc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 411319 MZIOXSXPEHKZRS-UHFFFAOYSA-N 325.415 5.218 0 40 EKAB Cc1cccc(CN(C)C)c1C=C(c1ccccc1)c1ccccc1 4974324 UALMXIOMVGLJGH-UHFFFAOYSA-N 327.471 5.646 0 40 EKAB Cc1nc2ccccc2nc1-c1cc(-c2ccccc2)c2ccccc2n1 5724554 CLNNWCHIKIMMLB-UHFFFAOYSA-N 347.421 5.820 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 6395136 FWHOWFSDDDBZDO-AWEZNQCLSA-N 345.870 5.650 0 40 EKAB CCCCCC[C@@H](O)C/C=C/CCCCCCCCCC(=O)OC 6397211 NIOKVQPUJKYTOZ-IZLCOFNUSA-N 340.548 5.948 0 40 EKAB CC(=O)c1ccc(Oc2nc(-c3cccs3)nc3ccccc23)cc1 12585204 ZTOCDRGPTDYRRW-UHFFFAOYSA-N 346.411 5.353 0 40 EKAB FC(F)(F)c1ccccc1NC(=S)Nc1cccc2cnccc12 13598042 MPHOANNAMFUFPA-UHFFFAOYSA-N 347.365 5.063 0 40 EKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2ccccc2c1 13627365 PLKRWVGUBPVAPX-INIZCTEOSA-N 347.458 5.543 0 40 EKAB Cc1ccccc1[C@@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1 16241046 STTFEHICOCIFLE-GFCCVEGCSA-N 338.398 5.061 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C)ccc1C 20459395 BSIFQEKZLLKZKA-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB Cc1cccc2nc(-c3ccc(O)cc3)c(Nc3cccc(Cl)c3)n12 35616232 IMDAMLUVWBUCJQ-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 66012456 ORYVVEDZAUYRMC-INIZCTEOSA-N 326.509 5.038 0 40 EKAB CCCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl 106964191 CEFCOUKVEPBDJW-UHFFFAOYSA-N 344.669 6.048 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1=CCCCC1 222916871 ILTCDYCPGAOQFQ-HXUWFJFHSA-N 343.511 5.148 0 40 EKAB CCCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCC[C@@H](C)C1 225661296 PQBLOMQJYJVMDX-LZJOCLMNSA-N 347.499 5.178 0 40 EKAB CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)c2ccccc12 225943831 KRAPJIOJYPDYFW-UHFFFAOYSA-N 333.431 5.155 0 40 EKAB CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F 408585635 GSMDFCYITLHIHQ-UHFFFAOYSA-N 343.732 5.010 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cs1 409076299 AJXWTOFELGCYQV-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB Clc1nc(-c2ccccc2)nc(-c2ccc(C3CCCCC3)cc2)n1 2362801558 UOJYZILTKSZJCY-UHFFFAOYSA-N 349.865 5.907 0 40 EKAB CCCc1cc(=O)oc2cc(C)c3c(-c4ccc(F)cc4)coc3c12 526084 SVXUYYCWGJQCOB-UHFFFAOYSA-N 336.362 5.606 0 40 EKAB biogenic CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc(OC)cc1 2278621 TXSPYVYUAUICSO-GOSISDBHSA-N 349.367 5.072 0 40 EKAB CCc1cccc(C)c1NC(=O)CC(c1ccccc1)c1ccccc1 4177243 FMPCVVPDCQZSGJ-UHFFFAOYSA-N 343.470 5.718 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)OC1C2CC3CC(C2)CC1C3 5749934 VHLUXXDSAPUVLO-UHFFFAOYSA-N 339.357 5.079 0 40 EKAB Clc1ccc(Cl)c(-c2ccc(-c3nc4ccccc4s3)o2)c1 5876809 CJHJSJOAWKVRMN-UHFFFAOYSA-N 346.238 6.530 0 40 EKAB Cc1cc(C)c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c(C)c1 5959867 DVSVDNZCULYLKA-UHFFFAOYSA-N 336.262 5.191 0 40 EKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc2ccccc2n1 6345240 UPSWLNPGDBJWFZ-UHFFFAOYSA-N 338.366 5.387 0 40 EKAB Cc1ccc([C@H]2C[C@@H]2c2n[nH]c(=S)n2-c2ccc(Cl)cc2)cc1 6533839 AINSTPYBZSXWHP-CVEARBPZSA-N 341.867 5.163 0 40 EKAB CC(C)[C@@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccccc1 10494448 DVIVTRWWEMTRIM-FOIQADDNSA-N 336.435 5.190 0 40 EKAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cc2ccccc2o1 12901486 OJMXPVXOPYUWFL-JTQLQIEISA-N 334.202 5.231 0 40 EKAB CCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C 31334814 SFRPDSKECHTFQA-NLVRZWRASA-N 342.523 6.471 0 40 EKAB CCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 32622529 BHNQPXRWUMHVPF-UHFFFAOYSA-N 349.434 5.087 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1C 38771876 JEVRHOOXHPZXQJ-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 51354565 NINVTFDCAQTMCM-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB Cc1ccc2c(CN[C@H](c3cccs3)C(C)(C)C)cc(=O)oc2c1 52838396 MLZZNZCFNALKEC-LJQANCHMSA-N 341.476 5.040 0 40 EKAB CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 225615722 YNXFTZGSYDFKTI-IBGZPJMESA-N 339.479 5.182 0 40 EKAB CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 409104784 IEDUVPVVDQCFJB-UHFFFAOYSA-N 343.883 5.317 0 40 EKAB CCCN(CCC)CC[C@H](O)c1cc2c(c3ccccc13)CCCC2 1596785 XASXMEKXZPGFQK-QHCPKHFHSA-N 339.523 5.264 0 40 EKAB O=c1cc(-c2cc3cc(Cl)ccc3o2)c2cc(Cl)ccc2o1 2346860 FYSZZCKHCVODDJ-UHFFFAOYSA-N 331.154 5.513 0 40 EKAB biogenic CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 2734314 WPVWYDQCUORMTE-DZGCQCFKSA-N 345.870 5.568 0 40 EKAB CCCOc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 3355080 BIMLQXMAUDWRPF-UHFFFAOYSA-N 345.442 5.246 0 40 EKAB Cc1ccc(Oc2ccc(NC(=S)NCc3ccccc3)cc2)cc1 6335311 ULMAMYZXVAVSDV-UHFFFAOYSA-N 348.471 5.274 0 40 EKAB CCCCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6597267 RDHGLGQKBMTSAV-UHFFFAOYSA-N 347.911 5.552 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)C 8049483 VLLSUJXJEFHPGV-SFHVURJKSA-N 331.843 5.260 0 40 EKAB Fc1cccc(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12563433 UTNURPZEGNYAIB-HXUWFJFHSA-N 349.796 5.468 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)cc1F 13006768 PYRZKPKWLJIFMC-UHFFFAOYSA-N 335.806 5.038 0 40 EKAB O=C1c2ccccc2-c2cc(NCc3ccccc3)nc3cccc1c23 13625375 GGHXTDPWQLKLFD-UHFFFAOYSA-N 336.394 5.058 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(C)c1 13788302 QSHGFZLJQAMNER-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB Cc1cccc(NC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)c1 22072472 GFWJMXXKAOFJPL-UHFFFAOYSA-N 345.446 5.509 0 40 EKAB CCCCCOc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 43214343 WUARCUGVDUBZCN-UHFFFAOYSA-N 348.483 5.342 0 40 EKAB Clc1cc2cc(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl 71256930 WJYZNPLWZGYFIE-UHFFFAOYSA-N 334.844 6.760 0 40 EKAB in-vitro C[C@H]1CCc2[nH]c3ccc(C(=O)Oc4ccc(Cl)cc4)cc3c2C1 89930071 QBFYFEMIPNGXQD-LBPRGKRZSA-N 339.822 5.165 0 40 EKAB CCc1ccc(CC)c(CNC(=O)CCc2ccc(C(C)C)cc2)c1 223055497 LPLOQQKKELTCEH-UHFFFAOYSA-N 337.507 5.184 0 40 EKAB Cc1ccc(C)c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 225052353 GCDQIKZXUOXUGI-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB CC(C)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225327457 SIYPPZHQLGUJME-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB Fc1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1 409187672 ANNGUPCBBACWGH-UHFFFAOYSA-N 335.403 5.681 0 40 EKAB C[C@@H](CC(=O)Nc1nc(-c2cccs2)cs1)c1ccccc1 2664399 VGMRSHBIVDVNSA-LBPRGKRZSA-N 328.462 5.004 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3ccc(CC)cc3)sc2c1 3310563 VSNVVWFNCRZLBX-UHFFFAOYSA-N 338.476 5.454 0 40 EKAB Cc1cc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)o1 3419295 UJALZUWGULLIEZ-UHFFFAOYSA-N 327.387 5.082 0 40 EKAB Fc1ccc(C2=NN(c3ccccc3F)[C@@H](c3ccccc3)C2)cc1 5003266 YKISEHPFBVVEQU-OAQYLSRUSA-N 334.369 5.321 0 40 EKAB c1ccc(C(Sc2ncnc3sccc23)c2ccccc2)cc1 12771893 PZKQNKVLGYKJSF-UHFFFAOYSA-N 334.469 5.573 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)ccc1Cl 12978197 ZOEHASKOCHDJMZ-CQSZACIVSA-N 331.843 5.178 0 40 EKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc2ccccc12 23016043 PGAWCMALZXZPND-HNNXBMFYSA-N 344.414 5.811 0 40 EKAB O=C(Nc1ccc(Cl)cc1F)c1sc2sccc2c1Cl 25050182 HLSMSEDCWNTWME-UHFFFAOYSA-N 346.235 5.661 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC1CC1 33938874 GLGAUBPACOBAMV-CGRWFSSPSA-N 343.555 6.411 0 40 EKAB Cc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)cc3)nc2c1 35876164 VSNONQPVPOFYOL-UHFFFAOYSA-N 340.382 5.920 0 40 EKAB Cc1ccc(-c2nc(CN(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cs2)o1 48237044 SXNFOWZTVWQJTO-LRDDRELGSA-N 342.464 5.060 0 40 EKAB Cc1cc(C)c(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)c(C)c1 72332196 PFCVLKZZWPLOGQ-OAHLLOKOSA-N 342.483 5.289 0 40 EKAB C(=C/c1ccccc1)\COc1ccc2occ(-c3ccccn3)c2c1 96230937 MZQDTVHWBZVXSL-RMKNXTFCSA-N 327.383 5.587 0 40 EKAB Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccccc1)=N2 102372667 KGWMSVLMFOZSMQ-UHFFFAOYSA-N 340.426 5.053 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 224459058 IQHNOGSHQQBCBC-UTKZUKDTSA-N 341.495 5.330 0 40 EKAB Cc1cc(C)c(C(=O)Nc2ccccc2Sc2ccccc2)cc1C 225644208 MGBXIZNYWAEVSF-UHFFFAOYSA-N 347.483 6.015 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 145120 ZUCXYLZGMSOWQM-CQSZACIVSA-N 345.870 5.179 0 40 EKAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(NCCC(C)C)n2c1 417101 RDHIVFRABUVJDN-UHFFFAOYSA-N 327.859 5.421 0 40 EKAB Cc1ccc2nc(SCc3cccc4ccccc34)nc(C)c2c1 477716 VILQEOWKXSAPMQ-UHFFFAOYSA-N 330.456 5.692 0 40 EKAB Cc1cccc(C)c1Oc1ncnc2sc(-c3ccccc3)cc12 3440171 JSSIKHHMSQUVND-UHFFFAOYSA-N 332.428 5.767 0 40 EKAB O=C(Nc1cccc2ncccc12)c1ccc(-c2ccc(Cl)cc2)o1 4705249 KBWGNXQBZAZQJM-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB CCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 7261343 PKTITHSDVNOAJL-UHFFFAOYSA-N 347.886 5.207 0 40 EKAB Nc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 29132017 HNHLVOBHWXLIGP-UHFFFAOYSA-N 347.361 5.247 0 40 EKAB in-vitro CCSc1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 30850464 DZYVTLPDBKZAAI-NTCAYCPXSA-N 339.504 5.748 0 40 EKAB Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1C 44837955 IMCCKOAXVCOSCZ-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)nc1Cl 60098829 WXBZGEMLEOWYOI-UHFFFAOYSA-N 349.261 5.105 0 40 EKAB COc1cccc(-c2cc(-c3ccc(C)cc3)c3ccccc3n2)c1 96012508 IEVYSTMGFUYXAO-UHFFFAOYSA-N 325.411 5.886 0 40 EKAB C[C@@]12CC3CC(NC(=S)Nc4ccc(Cl)cc4)(C1)C[C@@](C)(C3)C2 100980710 ODUIESNNBYYGMU-BHJVWRQASA-N 348.943 5.375 0 40 EKAB Cc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 101214347 KEIWTLBGRWSELQ-IRLDBZIGSA-N 339.442 5.491 0 40 EKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12 218385924 QZYBULNRVZHTSX-CJTFWIGWSA-N 345.486 5.640 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)cc1 225502375 HSDJPRRAVLDCPF-NRFANRHFSA-N 346.499 5.379 0 40 EKAB Cc1ccc(-c2cc3nc(C)cc(-c4ccc(Cl)cc4)n3n2)cc1 409061928 KCTVJDIKCKXMTK-UHFFFAOYSA-N 333.822 5.334 0 40 EKAB CC[C@@H](C(=O)c1ccc(Br)cc1Cl)c1ccccc1 575362359 WJNAIVUSMSZSLP-CYBMUJFWSA-N 337.644 5.479 0 40 EKAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)Nc2ccc3ccccc3c21 276260 FWYNTGBGFXYXOM-KRWDZBQOSA-N 342.225 5.886 0 40 EKAB Cc1ccc2nc(C)cc(C(=O)Nc3cccc(Cl)c3Cl)c2c1 920301 YKORZSDKWOEPHJ-UHFFFAOYSA-N 345.229 5.411 0 40 EKAB COc1ccc(N[C@H](c2cccnc2)c2c(C)[nH]c3ccccc23)cc1 1281025 CLSJDMJTYSZHMC-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB Cc1cccc(NC2=C3C[C@H](C)CC=C3N(c3cccc(C)c3)C2=O)c1 1424275 NLFTZCVWJUEBQO-QGZVFWFLSA-N 344.458 5.330 0 40 EKAB CC(C)=C[C@H](C(=O)c1ccccc1)[C@@H](CC(=O)c1ccccc1)C(C)C 2099917 XVTZCXVAUIOBQU-VXKWHMMOSA-N 348.486 5.997 0 40 EKAB biogenic CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc(Cl)cc4)cn23)C1 2691577 ODWAIEVAKSJMDH-ZDUSSCGKSA-N 344.911 5.867 0 40 EKAB CCCCCC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C 2779438 MGODBRAVZCCOMJ-YLJYHZDGSA-N 336.479 5.545 0 40 EKAB CC[C@@H](C)NC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1 2805285 MORGUCRJFRLVOS-OAHLLOKOSA-N 345.870 5.064 0 40 EKAB CC(C)c1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 4571645 QGDICSVBYFNCLP-KPZWWZAWSA-N 340.492 5.425 0 40 EKAB CCC[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 6026318 BVBCGMLVKWVIOX-QFIPXVFZSA-N 329.443 5.547 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1 6342780 CFEPICDGYGUDHT-UHFFFAOYSA-N 338.476 5.508 0 40 EKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(C)c2C)cc1OC 6636243 PPOBQVWFBBWCOW-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB CCCCCCNCc1ccccc1OCc1ccc(Cl)cc1 7261086 COAFLJVTHRAOMW-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB Cc1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)no1 7286859 WPGWQPWGJOKFBW-UHFFFAOYSA-N 347.443 5.332 0 40 EKAB CCC[C@@H](C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 8188010 MBEJTHHCYOQETP-GFCCVEGCSA-N 342.826 5.523 0 40 EKAB FC(F)(F)c1ccc(Cl)c(NC(=S)Nc2ccccc2)c1 8436172 XSRNRZMCNAFJAO-UHFFFAOYSA-N 330.762 5.168 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1 10332612 LOFWCHAFYFXFDC-UHFFFAOYSA-N 343.470 6.048 0 40 EKAB Cc1cc2nc(-c3ccc(Br)cc3Cl)oc2cc1C 73638108 LKLZVWBARVVUMV-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB Cc1cc([C@H](C)N[C@@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 95421263 ZOZDPQHMZLIPPJ-STQMWFEESA-N 341.480 5.135 0 40 EKAB CCOC(=O)c1sc(-c2ccc(CC)cc2)nc1-c1ccccc1 98071527 DSGGEDNDJBVDNV-UHFFFAOYSA-N 337.444 5.216 0 40 EKAB COc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1Cl 226246923 BZWOAZJLRRILKD-UHFFFAOYSA-N 338.794 5.256 0 40 EKAB Clc1ccc(SCc2nc3ccc(Cl)cn3c2Cl)cc1 193598 YJLTVGGRLPXZOZ-UHFFFAOYSA-N 343.666 5.587 0 40 EKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 281595 NDUZQANWPHPCSC-JTQLQIEISA-N 326.248 5.113 0 40 EKAB O=C(COc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 511953 WKEZPBCUAFEBFA-UHFFFAOYSA-N 346.213 5.164 0 40 EKAB CCc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1 1518218 PXDMUCVCTOQDSR-UHFFFAOYSA-N 342.851 5.278 0 40 EKAB Clc1ccc(OCCSCCOc2ccc(Cl)cc2)cc1 1724599 NVYUXFRCYDRUSE-UHFFFAOYSA-N 343.275 5.184 0 40 EKAB O=C(Oc1ccc(Cl)cc1)c1ccc(-c2ccccc2Cl)o1 4660219 CKVALCWSZDXNKO-UHFFFAOYSA-N 333.170 5.473 0 40 EKAB O=C(c1ccccc1)n1c2ccc(Cl)cc2c2cc(Cl)ccc21 4834339 CFZHVSFYDQJJMT-UHFFFAOYSA-N 340.209 5.790 0 40 EKAB Fc1ccc([C@@H]2C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 5460019 VBKSOZNDTKACTA-PZJWPPBQSA-N 343.405 5.322 0 40 EKAB O=C(c1ccccc1)c1c(F)c(F)c(Oc2ccccc2)c(F)c1F 5936500 OYTKJMHXOLFPCO-UHFFFAOYSA-N 346.279 5.266 0 40 EKAB Fc1ccc(Sc2cc(-c3ccccc3)c3ccccc3n2)cc1 8642978 SZYBTRDVNHYOLS-UHFFFAOYSA-N 331.415 6.192 0 40 EKAB Nc1c(Cl)cc(-c2nc3c(Cl)cccc3s2)cc1Cl 45920779 IMYPZJLTJZYRCM-UHFFFAOYSA-N 329.639 5.506 0 40 EKAB CC[C@H](Sc1nnc(NC2CC2)s1)c1ccc(Cl)cc1 48368499 RLHQVHLTQACJQW-LBPRGKRZSA-N 325.890 5.009 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351800 PAOWNFOZJUZBNE-RTWAWAEBSA-N 339.479 5.037 0 40 EKAB CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 222836161 JZVSINRUZLKYOD-QFIPXVFZSA-N 347.458 5.122 0 40 EKAB CC(C)C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 225491918 FKERBWRBDPBSTK-KRWDZBQOSA-N 332.900 5.414 0 40 EKAB Nc1cc(-c2ncc(-c3ccc(Br)cc3)o2)ccc1Cl 226103033 IIKPJSSAAJFEFD-UHFFFAOYSA-N 349.615 5.007 0 40 EKAB O=C(CN(C1CCCCC1)C1CCCCC1)Nc1cccc(Cl)c1 408581155 GVRNEBGBSVBQQO-UHFFFAOYSA-N 348.918 5.246 0 40 EKAB CC(C)CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)c2ccccc21 409109456 FGBXFIQLDCELPC-SXGWCWSVSA-N 346.257 5.537 0 40 EKAB CC1CCC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 177930 DNMSCXSLUNUXQI-UHFFFAOYSA-N 343.854 5.897 0 40 EKAB CC1(C)Cc2ccccc2-c2nnc(-c3ccc(Cl)cc3Cl)n21 343674 NJQBEFPUXBYGQT-UHFFFAOYSA-N 344.245 5.210 0 40 EKAB Nc1cc(C(=C(Cl)Cl)c2ccc(Cl)c(N)c2)ccc1Cl 360235 DQQNFSVKBFFWEK-UHFFFAOYSA-N 348.060 5.352 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 385240 PROWAYWWLPZOMT-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1ccc(Nc2c(-c3cccs3)nc3ccc(Cl)cn23)cc1 427520 BZUQOFDDKKFGIG-UHFFFAOYSA-N 339.851 5.768 0 40 EKAB CC(C)(C)c1cc(COC(=O)c2ccccc2)cc(C(C)(C)C)c1O 2271146 OJKIPQNNTNLVTA-UHFFFAOYSA-N 340.463 5.344 0 40 EKAB CCC(CC)C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C 2972396 ZSODMYXPDXTQNA-UHFFFAOYSA-N 339.464 5.041 0 40 EKAB Cc1cccc(Oc2ccc(Nc3ncnc4sccc34)cc2)c1 3285671 FAYLOBPUPJQRAR-UHFFFAOYSA-N 333.416 5.536 0 40 EKAB CCOc1ccc(C(=O)COc2ccc(Cl)c3ccccc23)cc1 3327536 GKPLZKIWJJGQOH-UHFFFAOYSA-N 340.806 5.154 0 40 EKAB O=C(Nc1ccc(Br)cc1Cl)c1cccc(Cl)c1 6260078 QKKDZVZXKFFBHB-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB CCOc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 7446277 AGUZSCFPGFSLGB-UHFFFAOYSA-N 332.403 5.081 0 40 EKAB Cc1cc(C)c(NC(=O)CSCc2ccc(Cl)cc2)c(C)c1 7483608 YAHGQEDBZYTHGJ-UHFFFAOYSA-N 333.884 5.137 0 40 EKAB CCCCC/C(=C\c1ccccc1)C1OCC(CC)(CCCC)CO1 8613411 UKJJZMUSORNXLB-HEHNFIMWSA-N 344.539 6.610 0 40 EKAB CCCn1c(NC(=O)c2ccc(Cl)cc2Cl)nc2ccccc21 10652691 SVWUDNBCBBPJKE-UHFFFAOYSA-N 348.233 5.005 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1occc1COc1ccccc1 11476801 LPEWNLIZADVMHI-INIZCTEOSA-N 349.430 5.624 0 40 EKAB CC[C@@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(C)cc1 22515910 JGUGCPRNVURBDQ-HXUWFJFHSA-N 341.520 5.113 0 40 EKAB Cc1ccc2nc(-c3cccs3)c(Nc3cccc(Cl)c3)n2c1 35616178 MPMPRSVIKWRYBE-UHFFFAOYSA-N 339.851 5.768 0 40 EKAB Cc1cc(C)c2nc(-c3ccc(Br)cc3Cl)[nH]c2c1 73638128 WJLCGQORZCMEJC-UHFFFAOYSA-N 335.632 5.263 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 95917306 WWWAPYLBNIFTHA-UHFFFAOYSA-N 343.209 6.017 0 40 EKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc(Cl)cc2)CCC1 102887123 KTTOIYXYLJRVLC-IBGZPJMESA-N 349.821 5.361 0 40 EKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C(F)C[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118925379 NQPNKHPRIRGDJL-NQDKFLQJSA-N 334.475 5.568 0 40 EKAB CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223229715 UQBLWWIAJUMBOC-OAHLLOKOSA-N 339.504 5.167 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225702166 NOGNIXVFIHCDFY-OXJNMPFZSA-N 335.488 5.178 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(C)cc1C 225715191 GYHRUDQPWMHMBU-MRXNPFEDSA-N 334.435 5.019 0 40 EKAB CCOc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1 225760227 DPCXSUSPZUNTPP-LJQANCHMSA-N 342.508 5.077 0 40 EKAB O=C(NCc1cc(-c2ccoc2)cs1)c1cccc2ccccc12 1775971142 GGZUMTOKMAJMAO-UHFFFAOYSA-N 333.412 5.091 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 73515 WADQKVONMGNHIV-QGZVFWFLSA-N 339.479 5.315 0 40 EKAB CC(C)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 281586 WTXAOYVIMVAVCH-CYBMUJFWSA-N 333.884 5.583 0 40 EKAB CC[C@H](C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccccc1 1735862 IVJKDEPTEGVUDH-MBSDFSHPSA-N 343.470 5.725 0 40 EKAB Fc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2266799 VJFMIFZGIYOCAA-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB Cc1sc2ncnc(N[C@H](C)c3ccccc3)c2c1-c1ccccc1 2887007 HDWSMYIJSQLMKP-CQSZACIVSA-N 345.471 5.840 0 40 EKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 3241819 QRHYQVUMMUHQTH-UHFFFAOYSA-N 345.446 5.877 0 40 EKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OC(C)C)CCC3 3273241 DMPAGDWHEFJZAV-UHFFFAOYSA-N 328.452 5.192 0 40 EKAB Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1 3336097 QWFUMYJHRNHGBK-UHFFFAOYSA-N 344.393 5.004 0 40 EKAB CCCO[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 3849677 FZEADSGDYUIZQS-FYYUJBKDSA-N 332.528 5.105 0 40 EKAB CC(C)c1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 4571641 QGDICSVBYFNCLP-KZULUSFZSA-N 340.492 5.425 0 40 EKAB CC[C@H](C(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 4666603 SNYQGYWSRDPBOE-IBGZPJMESA-N 331.415 5.611 0 40 EKAB Cc1ccc(-c2nnc(SCc3cccc4ccccc34)o2)cc1 5862839 RUUVPUJXYAPIQZ-UHFFFAOYSA-N 332.428 5.491 0 40 EKAB CCCCc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn12 6313688 XEKYWPTXQGRTIM-UHFFFAOYSA-N 336.460 5.567 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)C(c1ccccc1)c1ccccc1 6318136 CREFASMFPWXDEW-UHFFFAOYSA-N 343.470 5.889 0 40 EKAB Cc1cc2c(cc1C)CN(c1ccc(Cl)c(C(F)(F)F)c1)C2 6330675 BBKDJLALNSDHGG-UHFFFAOYSA-N 325.761 5.496 0 40 EKAB COc1ccc(-c2csc(/C=C/c3ccsc3)n2)cc1OC 6543254 SQOJETFFNXKQKN-ZZXKWVIFSA-N 329.446 5.059 0 40 EKAB CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(CCC2=CCCCC2)C1=O 9668379 KFXQKIZYRDGNBJ-JOCHJYFZSA-N 348.490 5.289 0 40 EKAB Fc1ccc(-c2ccc(SCc3ccccc3Cl)nn2)cc1 10505144 OBRSLHZLYJNBCX-UHFFFAOYSA-N 330.815 5.228 0 40 EKAB CCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1C(F)F 12599532 BGWFZDHTZXZDKV-UHFFFAOYSA-N 344.430 6.114 0 40 EKAB Clc1ccc2nc3c(c(-c4ccccc4)c2c1)COc1ccccc1-3 12970796 FOPIBASIMRLVAA-UHFFFAOYSA-N 343.813 6.115 0 40 EKAB Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3C)c2cc1C 15320475 DNUIKRUJHARWHZ-UHFFFAOYSA-N 327.811 5.193 0 40 EKAB Cc1cccc(-c2nn(C3CCCC3)c(-c3cccc(C)c3)c2C)c1 17067868 KNIDIPSYRBAUNZ-UHFFFAOYSA-N 330.475 6.257 0 40 EKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 19690780 YNGFDLZQBLWFQV-JOCHJYFZSA-N 342.442 5.034 0 40 EKAB CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 22517708 NTUCOTPRFCVALK-NRFANRHFSA-N 333.431 5.198 0 40 EKAB CCCCc1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)cc1 41156376 IUEBNNFMQHYENT-UHFFFAOYSA-N 337.419 5.345 0 40 EKAB Cc1ccc(NC(=O)Nc2cccc(OC(F)(F)F)c2)cc1Cl 44845190 PZYUAIDHXMESGK-UHFFFAOYSA-N 344.720 5.191 0 40 EKAB Cc1cc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1C 67321724 BMNKOISUWSQIKK-UHFFFAOYSA-N 337.492 5.545 0 40 EKAB CC(C)CN1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 72217264 WEOBGMZFKYQUMT-IBGZPJMESA-N 332.557 5.689 0 40 EKAB Fc1ccc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cc1 78401366 QXTBVKAHPOUFBI-UHFFFAOYSA-N 333.193 5.180 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccc(OC(C)C)cc2)cc1C(C)C 225664046 SSDUYDAGTTYZLV-UHFFFAOYSA-N 341.451 5.167 0 40 EKAB CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2Cl)ccc1O 363896 MKDAOCJZVILRHG-UHFFFAOYSA-N 339.218 5.216 0 40 EKAB Cc1cc(Br)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 383609 QHWIUASXIFNGNU-UHFFFAOYSA-N 346.268 5.307 0 40 EKAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(Nc3ccccc3C)n2c1 427548 HITZAUBUYFNDDA-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB O=C(Nc1nc2ccccc2s1)[C@H](c1ccccc1)C1CCCC1 536445 LKGOZYVWSIGYAR-GOSISDBHSA-N 336.460 5.209 0 40 EKAB CCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(C)cc2)cs1 932655 VBSOAJVASHJJOV-UHFFFAOYSA-N 336.460 5.094 0 40 EKAB O=C(Nc1ccc(F)cc1F)c1cccc(Oc2ccccc2)c1 1513117 AAJAVLXMKAMHKZ-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB CCn1c(SCc2ccccc2C)nnc1-c1c[nH]c2ccccc12 4138593 AMQSRQNEVJMUPN-UHFFFAOYSA-N 348.475 5.047 0 40 EKAB CC[C@@](C)(CCNC(=O)C[C@H](c1ccco1)C(C)C)c1ccccc1 5120143 IGOWIPYHANCEJJ-UGKGYDQZSA-N 341.495 5.284 0 40 EKAB COc1ccc(C)cc1NC(=O)c1sccc1-c1ccc(C)cc1 5404601 DBBFJFCIAGQTLK-UHFFFAOYSA-N 337.444 5.293 0 40 EKAB CC/C=C/C/C=C/C/C=C\CCCCCCCCCCCC(=O)O 5447625 WBBQTNCISCKUMU-KYNNUBNZSA-N 334.544 7.221 0 40 EKAB Cc1ccc(C(C)C)cc1OCCN1CCCC[C@H]1c1cccnc1 6624441 CLWIQLXJKZBNJC-NRFANRHFSA-N 338.495 5.119 0 40 EKAB biogenic Cc1ccc(C)c(NC(=O)Cc2coc3ccc4ccccc4c23)c1 6837660 ZBYJGEFMCMSVRR-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 8279200 OGZGCJZIKIHRJC-AWEZNQCLSA-N 338.476 5.253 0 40 EKAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12 11004523 FTJFDKLKQFANCA-UHFFFAOYSA-N 344.336 5.180 0 40 EKAB Cc1cccc(-c2nnc([C@@H](C)Nc3cccc(C(F)(F)F)c3)o2)c1 11039651 UOVYUCVQNNLSRY-GFCCVEGCSA-N 347.340 5.237 0 40 EKAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccccc1Cl 13815168 PMYLKMCRZMXUJJ-UHFFFAOYSA-N 345.682 5.133 0 40 EKAB CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccccc2F)o1 17113726 IWMAXTRRVVRQFO-UHFFFAOYSA-N 335.382 5.002 0 40 EKAB Cc1cccc(-c2nnc([C@H](C)N[C@@H](C)c3ccccc3Cl)o2)c1 39990601 DCVFQQZTMWAVQG-KBPBESRZSA-N 341.842 5.110 0 40 EKAB Cc1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)c(C)c1 40042983 RFJDATUEVUDCQD-UHFFFAOYSA-N 344.336 5.123 0 40 EKAB CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@H]12 97975791 IUWKNLFTJBHTSD-YXIAPDDASA-N 328.496 5.347 0 40 EKAB CC(=O)Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1 100809773 YYLQCSCENNWMHF-UOYQGRGCSA-N 345.486 5.435 0 40 EKAB CC[C@@]1(C(=O)OC)CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927320 GYAMUDPQHVRNEM-ZGIWMXSJSA-N 346.555 5.989 0 40 EKAB Fc1ccccc1NC(=S)NC1(c2ccccc2Cl)CCCC1 225850712 JINADCUYMISTEA-UHFFFAOYSA-N 348.874 5.235 0 40 EKAB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC[C@H]2OC 248247080 MVFRQMVXJZISHF-BDHVOXNPSA-N 328.496 5.347 0 40 EKAB CCOc1ccc(CNc2ccccc2CC)cc1Br 409119374 SIQHOCOMROPEQX-UHFFFAOYSA-N 334.257 5.022 0 40 EKAB CN(C)C(=O)Oc1c(/C=C/C2=CCCCC2)sc2ccccc12 482582 NXVVURCWQXZABV-OUKQBFOZSA-N 327.449 5.475 0 40 EKAB Clc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1 522184 PHHURDQPQSRHJC-UHFFFAOYSA-N 333.778 5.138 0 40 EKAB Fc1ccccc1Nc1nc2ccccc2nc1Nc1ccccc1F 1030852 JUTSZOLHKRPJOK-UHFFFAOYSA-N 348.356 5.395 0 40 EKAB CC(C)Sc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2325229 ZXXHWJYFNSLFCI-UHFFFAOYSA-N 340.517 5.738 0 40 EKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccccc1 3116609 PAVAWOVIJLKWMO-UHFFFAOYSA-N 337.419 5.370 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 3897710 AZUOJYHOAWIVLM-ZPMCFJSWSA-N 336.475 5.971 0 40 EKAB biogenic Fc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1 4324544 RMNBCOIFMDANCA-UHFFFAOYSA-N 340.401 5.506 0 40 EKAB Cc1ccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2C)cc1 4678397 QXTPWTFPRAJIBC-UHFFFAOYSA-N 345.368 5.026 0 40 EKAB CCCCOC(=O)c1cccc(C(=O)OC[C@@H](CC)CCCC)c1 4683301 IEPSFYBDYXIRGR-INIZCTEOSA-N 334.456 5.017 0 40 EKAB Cc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1C 5034735 MHVJADDNSZASDH-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB COc1cc2c(cc1OC)-c1cc(-c3ccc(Cl)cc3)cn1CC2 5304975 VELWPEBPUSNWOQ-UHFFFAOYSA-N 339.822 5.049 0 40 EKAB Cc1ccc(CSc2nc3ccccc3n2-c2cccc(C)c2)cc1 6315112 HOWNRVBBSNRFTJ-UHFFFAOYSA-N 344.483 5.935 0 40 EKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 9141345 QPNLPQCRDLPSBT-UHFFFAOYSA-N 344.414 5.633 0 40 EKAB Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)s3)c2)cs1 10276278 BYHIXTHCMOFKMO-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB O=C(N[C@@H](c1ccccc1)C1CC1)C(c1ccccc1)c1ccccc1 11204074 RSZJSOYSLSPWRK-QHCPKHFHSA-N 341.454 5.086 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1C 13930847 UGEVEWSJHXGNRJ-MRXNPFEDSA-N 326.509 5.474 0 40 EKAB CCOc1ccc2oc(C(=O)Nc3ccc(F)cc3Cl)c(C)c2c1 15009737 DMEIQQIHQYGQIU-UHFFFAOYSA-N 347.773 5.185 0 40 EKAB Clc1ccccc1CNCc1cccc(OCc2ccccc2)c1 16480727 YREFWUIMDKRAML-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB COc1ccc(/C(=C\CN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 17378399 UNGBWSHKZGGGND-UWLAKRBBSA-N 347.502 5.249 0 40 EKAB CCOc1ccc(NC[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 19737674 PNUPFAUTABSNGH-IEBWSBKVSA-N 341.495 5.868 0 40 EKAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)c1ccc(F)cc1F 59926777 YJKNNIAEPSTTGD-LBPRGKRZSA-N 345.418 5.016 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(Cl)c1 225658269 DLEAWSPAXRVCIH-AWEZNQCLSA-N 346.927 5.383 0 40 EKAB CC(C)c1ccc(CCCNC(=S)Nc2ccccc2Cl)cc1 225806135 HCVAEPBNUBZUHZ-UHFFFAOYSA-N 346.927 5.383 0 40 EKAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2ccccc12 414666 VLMLLSCCYKVXOX-UHFFFAOYSA-N 343.382 5.786 0 40 EKAB CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 1771119 FSPJSTNIPFIEMT-UHFFFAOYSA-N 337.916 5.352 0 40 EKAB CCCCCOc1ccc(C(=O)O[C@H]2C[C@H]3[C@H](C[C@@H]2C)C3(C)C)cc1 3192178 OHQAEYDVUFZFSY-KNTRFNDTSA-N 344.495 5.483 0 40 EKAB c1ccc(C2=NN(c3ccccc3)[C@@H]3c4cccc5cccc(c45)[C@@H]23)cc1 4419430 XSXSETQIICAJFQ-UKILVPOCSA-N 346.433 5.903 0 40 EKAB CC(C)(C)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 4602513 BUWYUIHIJUQFSX-UHFFFAOYSA-N 343.470 5.504 0 40 EKAB CCCCCC[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1 4690473 ZMDFEGOHHSGLFO-QGZVFWFLSA-N 325.452 5.568 0 40 EKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 5463981 CMSICCWKBOVBHO-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)o2)cc1C 6205775 XSFNILCBRXPHEZ-UHFFFAOYSA-N 325.795 5.469 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 8496140 HGMOAVHBBNWUFT-HXUWFJFHSA-N 325.452 5.134 0 40 EKAB C[C@@H]1CCC[C@@H](NC(=S)Nc2ccc(SC(F)F)cc2)[C@@H]1C 8687109 NJNXEQZYMFOLLB-JTNHKYCSSA-N 344.496 5.112 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1 10541096 ZXDBMRWUCXUBSM-KRWDZBQOSA-N 339.504 5.159 0 40 EKAB CCCCc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 14258355 DLNOYPHYSXEORO-KRWDZBQOSA-N 339.479 5.560 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]2CCCC[C@@H]21 16385382 NZYJYAAVXPTNRR-NHYWBVRUSA-N 327.255 5.180 0 40 EKAB Cc1ccc2c(C)c(C(=O)Nc3cccc4cccnc34)oc2c1C 21659219 FMZFOCJRLBRGGC-UHFFFAOYSA-N 330.387 5.159 0 40 EKAB c1ccc(-c2ncc(Sc3cnc(-c4ccccc4)s3)o2)cc1 27061566 OWSVTVONBCBHPG-UHFFFAOYSA-N 336.441 5.616 0 40 EKAB O=C(NC1CCCCC1)c1cccc(-c2nc3ccccc3s2)c1 41127515 CBRVBWWHERSMHB-UHFFFAOYSA-N 336.460 5.026 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)c(Cl)c1 47806716 GCXKLJWQCJRXLE-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB c1ccc([C@H](NCc2csc(-c3ccsc3)n2)C2CC2)cc1 78347672 REUIQDWGQAIPOB-KRWDZBQOSA-N 326.490 5.113 0 40 EKAB O=C(c1ccco1)N1CC[C@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 102005225 ZELKVBCDHILATF-XKGZKEIXSA-N 343.854 5.035 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 113935049 JYIHXANLCVGSEI-CABCVRRESA-N 347.911 5.315 0 40 EKAB FC(F)(F)Oc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 199721822 XCIMRIUZHXXVHO-UHFFFAOYSA-N 344.745 5.592 0 40 EKAB CC[Si](CC)(CC)C(c1ccc(C)cc1)[Si](CC)(CC)CC 219789326 GGFNCUMNFMCKBX-UHFFFAOYSA-N 334.696 7.174 0 40 EKAB COc1ccc([C@@H](CC(C)C)NC(=O)Nc2ccc(Cl)cc2)cc1 222635188 XAGXETKZBPWIDP-GOSISDBHSA-N 346.858 5.258 0 40 EKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225502984 PWOBXPSETBATBJ-KRWDZBQOSA-N 337.463 5.314 0 40 EKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641771 OPWXFQUSSYXIOV-CXJKMVGQSA-N 347.499 5.015 0 40 EKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)c2ccccc12 225940656 PBSVZYLQLBJYEF-UHFFFAOYSA-N 345.442 5.217 0 40 EKAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 73453 YACQCFCSRCFYLU-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccc(C)c(-c2nc(NC(=O)c3cccs3)sc2C)c1 260402 SRJKYDLXWHIROY-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB Cc1ccccc1NC(=O)c1cccc2c(Br)cccc12 284010 QBOAACIGNBWJQS-UHFFFAOYSA-N 340.220 5.163 0 40 EKAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)s1 1465967 YJDDGBWVRZRFBG-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB CCCC[C@H](CC)C(=O)Nc1cc(C(=O)OCCC)ccc1Cl 2069857 ARISMCGTEKBQET-ZDUSSCGKSA-N 339.863 5.062 0 40 EKAB c1ccc(N2C3=C(CCCC3)C3(CCCCC3)C3=C2CCCC3)cc1 2272018 DPYPVUQVLFWIQG-UHFFFAOYSA-N 333.519 7.113 0 40 EKAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 3345894 ZTGXAQJLJVTSBD-OAHLLOKOSA-N 335.378 5.109 0 40 EKAB Cc1cc(Sc2cccc(C(F)(F)F)c2)nc2c(C)cccc12 5620037 KONYQMIAGQXZGN-UHFFFAOYSA-N 333.378 6.022 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)COc1cccc2ccccc12 6010823 NGELPALQUNSHGK-UHFFFAOYSA-N 333.431 5.289 0 40 EKAB CCOc1c(Cl)cc(CNc2cccc(Cl)c2)cc1OC 6155255 AUMHLOFKVMFIST-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB CC[C@@H](C)NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8325867 JUHCHRPUARMIBO-MRXNPFEDSA-N 337.438 5.446 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccccc1-c1ccccc1 8498716 VRODQGVMGPAVII-UHFFFAOYSA-N 333.456 5.718 0 40 EKAB CCCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 9141040 QCXWQSOAOJRUIM-UHFFFAOYSA-N 349.217 5.540 0 40 EKAB CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 11870878 RXZUVJUIBQCMBV-UHFFFAOYSA-N 347.414 5.013 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1 44946634 BMIXTOFNWUCQEK-SFHVURJKSA-N 337.507 5.411 0 40 EKAB O=C(Nc1ccccc1-c1cccs1)N1CC[C@H](c2ccccc2)C1 89828092 RIJVKRSWCHFKFS-KRWDZBQOSA-N 348.471 5.437 0 40 EKAB c1ccc2c(c1)-c1ccccc1C21[C@@H]2C[C@@H]1c1cccc3cccc2c13 101012708 KHIXDTVTMJVMCS-DNQXCXABSA-N 330.430 6.391 0 40 EKAB CCOc1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1 222691426 ALWKYRXOHGPOLX-UHFFFAOYSA-N 349.883 5.250 0 40 EKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 224667359 MDYCBJVCAUILFV-SFHVURJKSA-N 339.479 5.450 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 225115633 HMFLORQLRRIEAL-UTKZUKDTSA-N 345.527 5.055 0 40 EKAB CSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225577934 RAILSVZHXPIJMC-HNNXBMFYSA-N 343.492 5.246 0 40 EKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1 253594633 HZSWBFWXUWMYKA-SXRTWWISSA-N 330.512 5.661 0 40 EKAB BrC1(Br)[C@H]2CCCCC[C@@]21c1ccccc1 494882 WCAGTIHPELSEOV-QWHCGFSZSA-N 344.090 5.004 0 40 EKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 579750 YRMNKEDGLKGVKP-SECBINFHSA-N 344.625 5.053 0 40 EKAB O=C(/C=C/c1ccccc1)NCCC(c1ccccc1)c1ccccc1 994753 DDOHACDUIBPHKB-WUKNDPDISA-N 341.454 5.038 0 40 EKAB Clc1ccc(SCN(c2ccccc2)c2ccccc2)cc1 1688820 CUALDFQCUMTWRT-UHFFFAOYSA-N 325.864 6.228 0 40 EKAB Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl 2566935 QVWUJLANSDKRAH-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB CCCCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205464 QZWBGZCCBXPSLV-UHFFFAOYSA-N 339.375 5.682 0 40 EKAB Cc1nc(C)c(-c2ccc(SCc3ccc(Cl)cc3)nn2)s1 4358396 TUQSXNVXCLCMMI-UHFFFAOYSA-N 347.896 5.163 0 40 EKAB O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1Cl 4833208 WJRBQKBGQNHCOH-UHFFFAOYSA-N 342.225 5.913 0 40 EKAB CCCCOc1ccc(-c2nc(/C=C/c3ccccc3)cc(=O)o2)cc1 4857630 WHWNHTIJEKEEEL-FMIVXFBMSA-N 347.414 5.051 0 40 EKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccco1)C[C@H]2c1ccco1 4992886 ZGHACBZPAPUOSC-KRWDZBQOSA-N 343.386 5.158 0 40 EKAB O=c1sc2c(s1)S[C@@H]1c3cccc4cccc(c34)[C@H]1S2 5243031 BFVWEFRRTXRJEZ-VXGBXAGGSA-N 332.496 5.317 0 40 EKAB CCCCCCC(=O)N1c2ccccc2C(Nc2ccccc2)=C[C@@H]1C 5261167 MNVPQVONVWPGBI-SFHVURJKSA-N 348.490 5.845 0 40 EKAB O=C(Nc1cccc(Cl)c1)NC1CCCCCCCCCCC1 5568693 WQUBEJVUKLSNNR-UHFFFAOYSA-N 336.907 6.135 0 40 EKAB Cc1cc(/C=C/c2nc3c(ccc4ccccc43)s2)cc(C)c1O 5935596 PBFHVXWYUAYVER-JXMROGBWSA-N 331.440 5.942 0 40 EKAB C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1cccc2ccccc12 6201074 AGHDDOFFRYMDHY-SFHVURJKSA-N 343.470 5.529 0 40 EKAB Cc1onc(-c2ccccc2)c1C(=O)Oc1cccc(Cl)c1Cl 6790111 LOQSGDORGROBQR-UHFFFAOYSA-N 348.185 5.176 0 40 EKAB COc1cccc(Nc2nnc(S[C@H](C)c3ccccc3)s2)c1 7983458 UFWZVSDCBBBABE-GFCCVEGCSA-N 343.477 5.144 0 40 EKAB Cc1c2c(nc3cc4c(cc13)OCO4)CCCCCCCCCC2 12565813 OTCJLQXMUUAUTG-UHFFFAOYSA-N 325.452 5.491 0 40 EKAB C[C@H]1CCCC[C@@H]1NC(=O)N1c2ccccc2Sc2ccccc21 13574645 GHHWPJMKJUWQOB-GJZGRUSLSA-N 338.476 5.578 0 40 EKAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)c(Cl)c1 22783549 AOBRHPCJQDRWFN-CYBMUJFWSA-N 346.261 5.030 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3C)o2)cc1C 33027686 CIPTWQPWQUVAOS-UHFFFAOYSA-N 333.431 5.443 0 40 EKAB C[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc2c(c1)CCC2 223243717 ABPCHMRQOMLEDP-KRWDZBQOSA-N 343.470 5.139 0 40 EKAB Cc1cccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1C 408623166 RKBDFERIFMZLIZ-UHFFFAOYSA-N 343.785 5.608 0 40 EKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(Cl)cc2Cl)C1 460393 BPOSXTCPCGWVTP-SJKOYZFVSA-N 326.267 5.034 0 40 EKAB COc1cccc(N[C@H](c2cccnc2)c2c(C)[nH]c3ccccc23)c1 1281023 QQHOWWMSEACELU-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB CC1(C)C2=[N+](CCN3c4ccccc4C(C)(C)[C@@]3(C)C2)c2ccccc21 3066065 YLOKGGNAENHJGL-XMMPIXPASA-N 345.510 5.023 0 40 EKAB O=Cc1cn(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 4089746 GYSODQFEDIPVCC-UHFFFAOYSA-N 347.458 5.581 0 40 EKAB COc1ccc(NC(=O)c2sc3cccc(F)c3c2C)cc1Cl 5279230 CUQFLJDSNBXSLL-UHFFFAOYSA-N 349.814 5.263 0 40 EKAB CC[C@@]1(C)C[C@](CCNCc2ccc(F)cc2)(CCC(C)C)CCO1 5296946 IJWAMTILPWMMFI-VXKWHMMOSA-N 349.534 5.707 0 40 EKAB CCOc1ccccc1/C=C/c1nc(-c2ccc(OC)cc2)cs1 5414736 FXVQSJFTZHPRRY-JLHYYAGUSA-N 337.444 5.388 0 40 EKAB CC(C)(C)CC(C)(C)NCc1cccc(OCc2ccc(F)cc2)c1 6857418 TUGMVXUKLZYLMM-UHFFFAOYSA-N 343.486 5.709 0 40 EKAB CC(C)(C)CC(C)(C)NCc1ccccc1OCc1ccc(F)cc1 6857438 INUWBOQOZLTKHA-UHFFFAOYSA-N 343.486 5.709 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2cccc(Cl)c2Cl)cc1 10333139 BTBYVLWERAPTRD-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB CCc1ccc([C@H](NC(=O)Nc2ccccc2)c2cccs2)cc1 12590257 OZZFYRFJDWMLNJ-IBGZPJMESA-N 336.460 5.222 0 40 EKAB CCc1ccc([C@@H](NC(=O)c2ccccc2C)c2cccc(F)c2)cc1 12692866 IVMUBFRPQGCOSO-JOCHJYFZSA-N 347.433 5.216 0 40 EKAB Cc1ccc(Oc2ccccc2NC(=O)c2sc(C)nc2C)cc1 12792496 GBURPTABAFVPAE-UHFFFAOYSA-N 338.432 5.113 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCCC2)cc1 14396623 ROMOTLSBGZCMKM-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 15643289 ODKQFSFSTJFXGB-QGZVFWFLSA-N 331.415 5.068 0 40 EKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 15682708 FSEHGKPVXYWQIG-SNVBAGLBSA-N 326.248 5.113 0 40 EKAB CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(C)c(C)c3)nc21 17071675 HJXWZDQENWVMBK-UHFFFAOYSA-N 343.421 5.761 0 40 EKAB Clc1cccc(Cl)c1COc1ccccc1Br 20298107 LPCXUWOFMQVIMU-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1C 20459415 MIDXYVDFOYVWQE-GOSISDBHSA-N 331.843 5.061 0 40 EKAB CC1(C)C[C@@H](NCCC2(Cc3ccc(Cl)cc3)CCCC2)CCO1 32070596 NEZMUALSXJTYKM-IBGZPJMESA-N 349.946 5.380 0 40 EKAB CCOc1cccc2cc([C@@H](C)NC(=O)Nc3cccc(C)c3)oc12 32751227 KUYFLOYTXAHJNR-CQSZACIVSA-N 338.407 5.023 0 40 EKAB Cc1ccc(-c2noc(-c3sc4ccccc4c3Cl)n2)cc1 36614306 VTRKITAINRBHOW-UHFFFAOYSA-N 326.808 5.580 0 40 EKAB c1ccc(CN2CCCC[C@H]2c2cccnc2N2CCCCCC2)cc1 72216729 JZFNYSGKGIPZGD-QFIPXVFZSA-N 349.522 5.189 0 40 EKAB C[C@@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C1CC1 84636390 RDIBNAZYKCIBDE-SSDOTTSWSA-N 347.789 5.102 0 40 EKAB Cc1cccc([C@H](NC(=O)Cc2ccc(C)cc2C)c2ccccc2)c1 223010043 KAXXGLCRZFOXBT-XMMPIXPASA-N 343.470 5.060 0 40 EKAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCCCCC1 225659017 RAXRKWXHQBXVPY-UHFFFAOYSA-N 347.499 5.180 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CCC)OCC)cc1C 225694612 JCZRQLNWYNHFBB-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)cc2nc(-c3ccccc3)[nH]c12 226303599 XANPYDHRNHZBOB-UHFFFAOYSA-N 342.486 6.006 0 40 EKAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 243174413 JUAULIOOBMNESD-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2ncccn12 428778 AIIZTENOQSRMEL-UHFFFAOYSA-N 334.810 5.102 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(O[C@H](C)CC)c1 569070 HHRIIDQCLYKQCO-JKSUJKDBSA-N 325.452 5.630 0 40 EKAB COc1cccc2cc([C@@H](C)OC(=O)Nc3ccc(C)cc3)oc12 1406486 UDJCRPOVWUQUHR-CYBMUJFWSA-N 325.364 5.060 0 40 EKAB Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC[C@@H](C)C2)cc(C)c1O 2142011 JMSYELVGVMWSKN-CQSZACIVSA-N 338.491 5.828 0 40 EKAB CSc1ccc(COC(=O)c2ccccc2-c2ccccc2)cc1 3420831 BDPLXCJEOHCVQJ-UHFFFAOYSA-N 334.440 5.433 0 40 EKAB N[C@H]1[C@H](c2ccccc2)CC[C@H](c2ccccc2)[C@H]1c1ccccc1 4782896 LIMBBOCCFYASJS-QPXUXIHVSA-N 327.471 5.459 0 40 EKAB CC1=CC[C@@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 4832273 WNJQFPUJKIPERU-MDRHQERFSA-N 326.480 5.830 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)CSC3CCCC3)cc2)cc1 6941065 HEDFYSPDDBFIOC-UHFFFAOYSA-N 341.476 5.402 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCCCC2)cc1 7504587 PADMUNWWTUQQRZ-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB Cc1cccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 10110611 BWLUCDJUAHNMPG-CSKARUKUSA-N 348.273 5.064 0 40 EKAB COc1ccccc1NC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 12886899 MSUJRHKZFFDYAV-UHFFFAOYSA-N 338.451 5.015 0 40 EKAB O=C(Nc1nc2ccccc2s1)c1cccc2c(Cl)cccc12 14257994 ADDLYCHBBJNYIR-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB S=c1sc2c(s1)S[C@@H]1c3cccc4cccc(c34)[C@@H]1S2 16949818 VCDYMDDSSVANBS-TXEJJXNPSA-N 348.564 6.686 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 20486581 QJVKXOUGXMMHMX-SFHVURJKSA-N 347.911 5.973 0 40 EKAB c1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716494 NBNWBPSBPMRDTE-DNQXCXABSA-N 337.422 5.610 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)nc3ccc(C)cn23)c1 35616451 HBMSPRUHMJLLQE-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB CCOc1ccc2nc(Nc3nc4cc(C)c(C)cc4o3)sc2c1 57353029 CHFYODHYWRZNFW-UHFFFAOYSA-N 339.420 5.197 0 40 EKAB CC(C)c1cnc(C[S@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 95414535 UNQUHSIODKQJAB-CHNSCGDPSA-N 346.279 5.115 0 40 EKAB COc1cccc2cc(CNc3cccc(N4CCCCC4)c3)oc12 96999330 CNRBROASVVFBMH-UHFFFAOYSA-N 336.435 5.044 0 40 EKAB Fc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101225624 SFAZWHJCZNRSHN-PZJWPPBQSA-N 343.405 5.322 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1 113970476 JTJDVSVPVJCHGD-IBGZPJMESA-N 345.870 5.568 0 40 EKAB C[C@@H]1CCCN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 216799202 CFWKIIWSIDITTH-CQSZACIVSA-N 340.854 5.380 0 40 EKAB O=C(Cc1ccccc1Cl)N(Cc1ccccc1)Cc1ccccc1 225434655 KOSJKTOJAAMRLG-UHFFFAOYSA-N 349.861 5.112 0 40 EKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC(C)CC1 225667923 RLAGCXPGCWKQLQ-BATSVXPKSA-N 347.499 5.178 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(C)cc1C 225715664 TYJVUMQGXZAIIT-KRWDZBQOSA-N 334.435 5.019 0 40 EKAB Clc1cc(Cl)c2oc(-c3ccc4c5c(cccc35)CC4)nc2c1 226296009 AERDLSQDIJSBSF-UHFFFAOYSA-N 340.209 6.053 0 40 EKAB Cc1ccc(COc2ccc(CNc3cccc(C)c3C)cc2)cc1 409113514 GOVIQOVNJAFYQA-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB CCOC(=O)c1nc2cc3n(c(CC(C)C)c-2c1C)[C@@H](C)C(C)=C3C 53277 RHNSCIPUELSBMP-HNNXBMFYSA-N 340.467 5.040 0 40 EKAB Cc1cc(-c2csc(Nc3ccc(N(C)C)cc3)n2)ccc1F 90743 JFOWDXGZVWZIMK-UHFFFAOYSA-N 327.428 5.067 0 40 EKAB Cc1ccc(-c2coc3c2c(C)cc2oc(=O)c4c(c23)CCC4)cc1 95463 INSAPBLMMYMTTG-UHFFFAOYSA-N 330.383 5.312 0 40 EKAB biogenic Cc1cccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 194121 KYIRWZAJMGOFBR-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 558012 FULWISFLYWVTIA-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB CC(C)COc1ccc(/C=C2/C(=O)Nc3ccccc32)c2ccccc12 574860 YMLZHRSBALEBAM-DEDYPNTBSA-N 343.426 5.367 0 40 EKAB C[C@H](CN1CCCCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698620 VMKUTHOGNDZCNC-DYESRHJHSA-N 349.946 5.230 0 40 EKAB CCCCCOc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 1769961 KPYFVFGRBSEPSO-UHFFFAOYSA-N 338.403 5.463 0 40 EKAB biogenic CCN(CC)c1ccc2c(Cl)c(C3CCCCC3)c(=O)oc2c1 2057055 FRIWHGHSXVNGOW-UHFFFAOYSA-N 333.859 5.340 0 40 EKAB FC(F)(F)c1cccc(Oc2nc3ccccc3n3cccc23)c1 4052004 XWWPLYURYQUOMC-UHFFFAOYSA-N 328.293 5.299 0 40 EKAB CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)O 12657819 OMRDSKNXJYXBEL-FNBOPYFCSA-N 332.572 6.673 0 40 EKAB Cc1cc(C)cc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 13788038 UHJVFTBHWYEADE-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB CCCCc1ccc(NC(=S)Nc2cc(Cl)ccc2OC)cc1 13789506 YRBVFZUMEXQWJA-UHFFFAOYSA-N 348.899 5.500 0 40 EKAB CC(C)Oc1ccccc1NC[C@H](C)Oc1ccc(C(C)C)cc1 19737486 KJMUGYSPRLCNRN-KRWDZBQOSA-N 327.468 5.477 0 40 EKAB CCCCCCOC(=O)CCCCCCC(=O)OCCCCCC 32162118 SZHOZZSBXPUVHJ-UHFFFAOYSA-N 342.520 5.574 0 40 EKAB CCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1C 33935987 CILLEQOHMDEEAL-ZJJAWJATSA-N 337.507 5.266 0 40 EKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2cccc(F)c2)c1 51331133 QFWROQXHORHFMR-OAQYLSRUSA-N 346.405 5.214 0 40 EKAB Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F 51354566 KZUMQRNIWAXSDQ-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB COc1cccc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)c1 78401381 ZECGQMOLVXWDJM-UHFFFAOYSA-N 345.229 5.050 0 40 EKAB C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@H]1C[C@H]2CC[C@H]1C2 102230337 MBMPVAXSMWGZGN-NXNVCVFFSA-N 349.503 5.595 0 40 EKAB Fc1cccc(-c2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)c1 257293163 QOKAAFXODXGXMO-QFIPXVFZSA-N 347.437 5.010 0 40 EKAB CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1Cl 409114508 KIGSVYXXZJKALR-UHFFFAOYSA-N 344.669 5.966 0 40 EKAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 64244 BGARGSWMWNKEGP-QFIPXVFZSA-N 342.442 5.383 0 40 EKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2ccccc2c1 578955 YCXXXTQSYZEYQH-UHFFFAOYSA-N 346.213 5.164 0 40 EKAB O[C@@H](CN1CCCCC1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 1628151 QJUBRQLMPOZVNB-FNEOHHHZSA-N 341.882 5.030 0 40 EKAB CC(=O)N1c2ccc3ccccc3c2Sc2ccc3ccccc3c21 1684069 REJMKKCKXXSOIC-UHFFFAOYSA-N 341.435 6.142 0 40 EKAB CCCc1cc(=O)oc2cc(C)c3c(-c4ccc(C)cc4)coc3c12 5235550 JMBSHDBCGBATRB-UHFFFAOYSA-N 332.399 5.776 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccc(Cl)cc1 5369710 IQDPLIHISAQUOO-XOKHGSTOSA-N 340.916 5.436 0 40 EKAB Cc1nnc(SCc2ccccc2Oc2ccccc2)n1C1CC1 7617900 BWOBHKIBJWHNSM-UHFFFAOYSA-N 337.448 5.006 0 40 EKAB CCOc1cc(CN[C@H](C)CC)ccc1OCc1ccc(Cl)cc1 8325983 KMPQKPSYQYNBIQ-OAHLLOKOSA-N 347.886 5.206 0 40 EKAB CCCO[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 13408321 BLNQANGFOGHVAO-ZCPXKWAGSA-N 330.512 5.314 0 40 EKAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13708878 AEDMZVNSIOCACQ-INIZCTEOSA-N 333.431 5.369 0 40 EKAB Cc1cc(C)c(NC(=S)Nc2ccccc2C(F)(F)F)c(C)c1 13788902 QROBSHQAOAWLNM-UHFFFAOYSA-N 338.398 5.440 0 40 EKAB O=C(CCSc1ccccc1)Nc1ccccc1-c1ccccc1 15643828 QYFWFRVJSDAEJA-UHFFFAOYSA-N 333.456 5.475 0 40 EKAB COc1cc2c(cc1NC(=O)NC1CCCCC1)oc1ccccc12 19597099 OFPIELKYSBYCFN-UHFFFAOYSA-N 338.407 5.049 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C 20108094 KSNOLIIBDPFESZ-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 30754553 GPWJTILKZGUTLB-JOPBRCQMSA-N 341.454 5.222 0 40 EKAB CCCC(=O)c1cn(CCCOc2ccccc2C)c2ccccc12 33854367 VZOICLHVODDIPW-UHFFFAOYSA-N 335.447 5.402 0 40 EKAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 78458228 GZWGWINTGWKGQY-IRXDYDNUSA-N 339.479 5.017 0 40 EKAB COc1ccc(CN(C)C(=O)N(c2ccccc2)c2ccccc2)cc1 95462113 CZEUDROPILEKQK-UHFFFAOYSA-N 346.430 5.085 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223017621 XKEIPCJVHBHLRJ-SFHVURJKSA-N 345.870 5.315 0 40 EKAB Cc1cc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 225639021 ILHSASPPEVHGRY-UHFFFAOYSA-N 331.415 5.656 0 40 EKAB O=C(c1ccc(OCc2ccccc2)cc1)[C@@H](Cl)c1ccccc1 384073305 RGMCDHZTBBUHFY-FQEVSTJZSA-N 336.818 5.428 0 40 EKAB CCOc1cc(C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCC 408621540 ONYXFVIELPQDFF-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB Cc1ccc(Nc2c(-c3ccccc3O)nc3ccc(Cl)cn23)cc1 427580 KFZQWGRZKDQEGW-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB Cc1cc(Cl)c2cc(Cc3ccc(Br)cc3)ccc2n1 1701646 WUBDKPPTXASWBS-UHFFFAOYSA-N 346.655 5.550 0 40 EKAB CCCCc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 1909322 XAUAGPSOROMFDV-UHFFFAOYSA-N 339.479 5.479 0 40 EKAB OC[C@@H](O)COCCCCCCCCCCCCC[C@@H]1C=CCC1 5600223 NDGBSIABANLBIW-NHCUHLMSSA-N 340.548 5.004 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 10362202 FJNZSYSDCMQQGD-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB Oc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(F)cc3)c2c1 12374238 SGSXKARQEBCMDK-FCDQGJHFSA-N 331.346 5.177 0 40 EKAB Cc1ccnc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 12937056 BWDXMSBNMRLUJW-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl 13788043 ZZUCIOHFIWTNBR-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB CC(C)c1ccc(NC(=O)c2cccnc2NCc2ccccc2)cc1 22072969 RIZAIFGRWUIGQL-UHFFFAOYSA-N 345.446 5.069 0 40 EKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccccc1 29013024 GFDMFWABPGVHLY-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB FC(F)(F)c1ccc2c(c1)Oc1sc(Cl)cc1NC2=S 36393679 SXXXCBLCVZCFBY-UHFFFAOYSA-N 335.759 5.314 0 40 EKAB CCOC(=O)c1ccc(Nc2cc(C)c3cc(C)cc(C)c3n2)cc1 41127827 ZRLJNKSXKONLGJ-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB Cc1sc(Nc2ccc(Cl)cn2)nc1-c1ccc(Cl)cc1 67322061 AMQJQYBABTZBAO-UHFFFAOYSA-N 336.247 5.564 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1C[C@H]1c1ccco1 95381721 CEZMXWKRZZYIJY-HZPDHXFCSA-N 335.428 5.173 0 40 EKAB Fc1cc(-c2cccc(Br)c2)ccc1OC(F)(F)F 95740189 WWYJUYXIJDZLOC-UHFFFAOYSA-N 335.094 5.154 0 40 EKAB c1ccc(/N=c2\sc3ccccc3nc2Nc2ccccc2)cc1 104311848 ISCMDEIRBRBVTR-XDOYNYLZSA-N 329.428 5.272 0 40 EKAB CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223012622 CLEBKYQDGCUACF-LJQANCHMSA-N 327.855 5.100 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(C)C 223017428 OXBJDFQJQROXPB-LJQANCHMSA-N 345.870 5.568 0 40 EKAB CC[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(C)cc1C 225715601 FZQBDDLPBOXABJ-INIZCTEOSA-N 334.435 5.019 0 40 EKAB Cc1ccc(C)c(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225842023 QJIOJGCHGPMBCI-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3ccc(F)cc3F)CCCC2)cc1 225857177 CMPABPIRYXDRKC-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 409104621 KDFNQZSJNNONJN-UHFFFAOYSA-N 343.883 5.398 0 40 EKAB CC[C@@H]1CCCCN1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 1469205 HAMIPPDCBFOBBY-QUCCMNQESA-N 339.504 5.311 0 40 EKAB COc1ccc([C@H](CCNCc2ccccc2)c2ccc(F)cc2)cc1 2444200 JKQHGOLFKHLBOU-HSZRJFAPSA-N 349.449 5.146 0 40 EKAB Cc1ccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)cc1 3131631 VIZOJENZKNYMAB-UHFFFAOYSA-N 325.411 5.174 0 40 EKAB Cc1ccc(NC(=O)[C@@H](Nc2cccc(C)c2)c2ccccc2)cc1 3326543 WRCXFULUOFBSED-NRFANRHFSA-N 330.431 5.095 0 40 EKAB C[C@H]1CCc2sc(C(=O)Nc3ccccc3C(C)(C)C)cc2C1 3400290 KVOQNKCKYYKPJC-ZDUSSCGKSA-N 327.493 5.423 0 40 EKAB O=C(CCC1CCCCC1)Nc1cc(Cl)ccc1N1CCCCC1 5939027 TYTYHDGLMUGTBG-UHFFFAOYSA-N 348.918 5.629 0 40 EKAB CC(C)c1ccc2c(c1)C(c1cccs1)=NNC(c1ccccc1)=N2 6190906 SFODHMQEFSCYMU-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB Cc1cccc2sc(NC(=O)CCCc3c[nH]c4ccccc34)nc12 7725229 QVIJTUYETNNKIE-UHFFFAOYSA-N 349.459 5.047 0 40 EKAB C[C@H](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 7782822 PWARKAQCVRXLMN-CHWSQXEVSA-N 336.262 5.364 0 40 EKAB Cc1cccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 10110616 ITIHBEWETQJAMT-NTCAYCPXSA-N 335.491 5.055 0 40 EKAB COc1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1Cl 10369224 KXTYLDLZMMAABN-UHFFFAOYSA-N 331.843 5.043 0 40 EKAB FC(F)(F)c1cccc(-c2ccc(-c3nc4ccccc4s3)o2)c1 11690104 FPMVZNDHYCVXRD-UHFFFAOYSA-N 345.345 6.242 0 40 EKAB Cc1ccc(-c2cc(NC(=O)c3oc4ccc(C)cc4c3C)on2)cc1 11917592 WJMLCMZJRICOGY-UHFFFAOYSA-N 346.386 5.265 0 40 EKAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1 13616326 ULKNDEUATRAGMY-UNMCSNQZSA-N 332.447 5.137 0 40 EKAB CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)C)cc2)cc1 13931844 PPWKMHPXDSKSPD-INIZCTEOSA-N 340.536 5.981 0 40 EKAB S=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 16215084 PLACAMIEGDOEOR-UHFFFAOYSA-N 331.655 5.456 0 40 EKAB Clc1ccc(CSCCSCc2ccc(Cl)cc2)cc1 16401864 PLZCTTMMBRPKNC-UHFFFAOYSA-N 343.344 6.160 0 40 EKAB CCCOc1ccc(NCCOc2ccccc2[C@@H](C)CC)cc1 19738167 XSCBKAGVVKRZEC-KRWDZBQOSA-N 327.468 5.480 0 40 EKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccccc2F)cc1 22072863 YXJDQMRUUGXQEC-UHFFFAOYSA-N 349.409 5.340 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1cccc(Cl)c1 40098050 AMMITTTWNJUIGZ-UHFFFAOYSA-N 330.859 5.436 0 40 EKAB CCCCOc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C 95915473 BTJQBMXBJACZND-UHFFFAOYSA-N 341.333 6.223 0 40 EKAB Cc1ccc2nc(-c3c[nH]c4ccccc34)c(NC3CCCCC3)n2c1 101316671 RNINRGSXPYCVEE-UHFFFAOYSA-N 344.462 5.536 0 40 EKAB Fc1ccc(-c2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)cc1 257226107 FJEJCLIUJWMKAH-QFIPXVFZSA-N 347.437 5.010 0 40 EKAB Cc1ccc(COc2ccc(CNc3ccc(C)cc3C)cc2)cc1 409114267 GMSPLWUYCFZKFZ-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB Fc1ccc2c(Cl)c(-c3nnc(-c4cccs4)o3)sc2c1 412037 JYPBOONJVLNNFU-UHFFFAOYSA-N 336.800 5.472 0 40 EKAB CCCCOP(=O)(OCCCC)Oc1ccc2ccccc2c1 1732718 MTQZVOBXNGHZKX-UHFFFAOYSA-N 336.368 5.960 0 40 EKAB Clc1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1 1807511 AUWXWEFYRIEJLK-UHFFFAOYSA-N 345.833 5.562 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1cccc(Oc2ccccc2)c1 3327623 HCPKKJYBBJSGMD-BUHFOSPRSA-N 349.817 5.784 0 40 EKAB Cc1cc(-c2ccc(Cl)cc2)n2nc(C)c(-c3ccccc3)c2n1 4723690 CIKZCWODSJBRGY-UHFFFAOYSA-N 333.822 5.334 0 40 EKAB CCn1c(SCc2cccc(C)c2)nnc1-c1cccc(Cl)c1 5477853 LVYLTBIJYTXZMV-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1 6040789 VVOYLOPYZRAACC-UHFFFAOYSA-N 346.817 5.770 0 40 EKAB Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c(C)c1 6271800 KCPCAGAGEZACRY-UHFFFAOYSA-N 344.458 5.145 0 40 EKAB Fc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 13004726 AUEXOCFCSLRICL-UHFFFAOYSA-N 343.376 6.361 0 40 EKAB O=C(Cc1cccc(F)c1)Nc1ccccc1Sc1ccccc1 19934954 OZCHAZVMBREPCY-UHFFFAOYSA-N 337.419 5.158 0 40 EKAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(C)cc1 20040693 JDVKTSMKAXXUGB-KDOFPFPSSA-N 347.911 5.397 0 40 EKAB CC(C)c1ccc2oc(Cc3ccc(Br)cc3)nc2c1 73638753 FDXLJYOSALYCFY-UHFFFAOYSA-N 330.225 5.305 0 40 EKAB CCCOc1ccc(N[P@](C)(=O)Oc2ccc(C(C)C)cc2)cc1 101957836 KBUNQWZFFKIQLT-XMMPIXPASA-N 347.395 5.913 0 40 EKAB COc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](C)CC(O)=C32)cc1 102664355 FVKJUSYQFKEVKI-LRTDBIEQSA-N 334.419 5.177 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 223052399 ONLKLZINFYEDAJ-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1 225748806 HFXOGGTZSOJBMQ-OAQYLSRUSA-N 349.515 5.426 0 40 EKAB Cc1ccc(C)c(-c2csc(Nc3cccc4ccccc34)n2)c1 207089 SFQIRBMDQJQAJO-UHFFFAOYSA-N 330.456 6.324 0 40 EKAB CCCCN(CCCC)[C@@H](C)[C@H](O)c1ccc2c3c(cccc13)CC2 1683272 KXMDAFJWLTZHEE-SBUREZEXSA-N 339.523 5.263 0 40 EKAB c1ccc2c(c1)-c1ccccc1C2Sc1nc2ccccc2s1 2189778 RAJUTNNLMCMSKV-UHFFFAOYSA-N 331.465 6.158 0 40 EKAB Cc1ccc(-c2nn(C3CCCC3)c(-c3ccc(C)cc3)c2C)cc1 2733471 XCCOWNGRSSIGPR-UHFFFAOYSA-N 330.475 6.257 0 40 EKAB c1ccc(Nc2nnc(SCc3cccc4ccccc34)s2)cc1 3378852 NKPAUOUWMOUOBW-UHFFFAOYSA-N 349.484 5.727 0 40 EKAB aggregator c1ccc(CCCNc2nc(-c3cccs3)nc3ccccc23)cc1 3458710 CIWACBSNNZNCJK-UHFFFAOYSA-N 345.471 5.403 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(SCc4ccccc4)c23)C1 4056272 VXHINJYXOVPRLB-GFCCVEGCSA-N 326.490 5.108 0 40 EKAB c1ccc2c(c1)CCc1ccccc1C2NC12CC3CC(CC(C3)C1)C2 4655723 RJFOVFCXHRHCLY-UHFFFAOYSA-N 343.514 5.433 0 40 EKAB CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)C(C)(C)C)c2-c1ccccc1 4671421 KZMZTPZZHIQFDV-DOTOQJQBSA-N 338.495 5.873 0 40 EKAB CC1=Nc2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C12 4737034 JXTWEMZHHIGFJE-AWEZNQCLSA-N 336.822 5.908 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1 6398116 LOKXKRUVTKYVNE-UHFFFAOYSA-N 338.476 5.508 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 14022438 LMXFXPDGXFDKOK-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB Cc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19323990 RLLJUXGXYPBIQA-UHFFFAOYSA-N 342.486 5.012 0 40 EKAB C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Cl 22777001 BNXJFFAETACYOV-ZDUSSCGKSA-N 346.261 5.030 0 40 EKAB C[C@@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1 35288751 YDKPHNVMKDQZSQ-VFNWGFHPSA-N 344.414 5.036 0 40 EKAB CC(C)(C)OC(=O)Nc1cc(OCc2ccccc2)c2ccccc2c1 38260642 CGLAYSJSTWPCLU-UHFFFAOYSA-N 349.430 5.766 0 40 EKAB COc1ccccc1OC(=O)N1c2ccccc2Sc2ccccc21 40936372 KQZJYFLCWHHHIK-UHFFFAOYSA-N 349.411 5.497 0 40 EKAB in-vivo c1ccc2[nH]c(CCCCCCCCCC[C@@H]3CCOC3)nc2c1 71405971 ICPBCYCLRJVGQD-GOSISDBHSA-N 328.500 5.653 0 40 EKAB Clc1ccc([C@@H]2CC[C@H](CNC3CC3)c3ccccc32)cc1Cl 98181655 FSOYBXLAANBDHM-PBHICJAKSA-N 346.301 5.755 0 40 EKAB COc1ccccc1[C@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 100629911 VHDDGXKVTALFTA-OAQYLSRUSA-N 348.446 5.567 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 102956468 CXNRHJXUBPSSBF-MZKRTTBSSA-N 333.475 5.298 0 40 EKAB CCOc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 106956706 DECKAGFPRLMKRE-UHFFFAOYSA-N 329.802 5.643 0 40 EKAB CC[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc(OC)cc1 222675920 NCDUGRIEIDJPDO-JOCHJYFZSA-N 347.458 5.049 0 40 EKAB Cc1cc(C(=O)Nc2c(F)cccc2F)sc1-c1ccccc1 526052401 IGMQFQJBNPUAND-UHFFFAOYSA-N 329.371 5.254 0 40 EKAB Cc1ccc([C@H](Nc2cc(C)ccn2)c2c(C)[nH]c3ccccc23)cc1 72048 UXASOCDPYFCFGE-QHCPKHFHSA-N 341.458 5.690 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1cc2c(ccc3ccccc32)o1 237584 XEEMMCHPSCZDII-UHFFFAOYSA-N 337.378 5.992 0 40 EKAB CCc1nc2c(c(N3CCCCC3)n1)C1(CCCC1)Cc1ccccc1-2 2289008 UCJIPZVKTHITSH-UHFFFAOYSA-N 347.506 5.064 0 40 EKAB Fc1ccc(-c2nc(-c3ccccc3)oc2-c2ccc(F)cc2)cc1 3037038 WRUKGCSRSSXDPH-UHFFFAOYSA-N 333.337 5.954 0 40 EKAB Cn1nc(-c2ccccc2)c(CSc2ccccc2Cl)c1Cl 3047439 NEFIWPQKLRFWCZ-UHFFFAOYSA-N 349.286 5.686 0 40 EKAB CCCC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl 4699623 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Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C 59351250 ATZASXVYCXVEPI-QZTJIDSGSA-N 347.458 5.101 0 40 EKAB Cc1ccc(Cl)cc1NC(=S)Nc1ccc(F)cc1Cl 71761750 MORSAEGAOTUZME-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Oc1ccccc1-c1cc(-c2ccccc2)c2ccc(Cl)cc2n1 75109539 BYFVZRZVNIRYLO-UHFFFAOYSA-N 331.802 5.928 0 40 EKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 222634883 PAIVHSCMEMVGKD-UHFFFAOYSA-N 330.815 5.305 0 40 EKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1 225695412 PPRKTGWHULKBGR-UHFFFAOYSA-N 349.515 5.281 0 40 EKAB CCCOc1c(C)cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225718033 TUXMTPFGYUDQRD-VFNWGFHPSA-N 347.499 5.016 0 40 EKAB O=C(NC1(c2cccs2)CCCC1)C1(c2cccs2)CCCC1 390827425 HALZSOMECRMUHY-UHFFFAOYSA-N 345.533 5.207 0 40 EKAB CCN(Cc1cccc(Br)c1)c1cc(Cl)ccc1F 585090197 JYJNMECXDQZXAJ-UHFFFAOYSA-N 342.639 5.268 0 40 EKAB CCOc1ccccc1C(=O)Nc1c(C(C)C)cccc1C(C)C 1016990 CDDALVUTZFATSQ-UHFFFAOYSA-N 325.452 5.584 0 40 EKAB CC[C@H](c1ccc2oc(C)cc2c1)[C@H](CC)c1ccc2oc(C)cc2c1 1677719 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S=C(Nc1ccccc1)N(CCc1ccccc1)Cc1ccccc1 55155486 RRFZTZJQKXXARS-UHFFFAOYSA-N 346.499 5.128 0 40 EKAB Clc1ccc([C@H]2Oc3ccccc3CN2Cc2ccco2)cc1 58219033 UXJCVVALQHLANS-LJQANCHMSA-N 325.795 5.026 0 40 EKAB C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nc3ccccc3s2)s1 84689461 PMJXRUMWPLIBQS-TXEJJXNPSA-N 342.489 5.038 0 40 EKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccccc1 106957437 DCAMWOLCGBPMHX-UHFFFAOYSA-N 333.431 5.195 0 40 EKAB c1ccc(Cn2c(-c3ccccc3)csc2=Nc2ccccc2)cc1 252675646 UPCXPYPKHNTCAE-UHFFFAOYSA-N 342.467 5.497 0 40 EKAB CC(C)Oc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 408574882 MHYXXFYKSPHFMU-RCCKNPSSSA-N 347.414 5.246 0 40 EKAB Cc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3C)n2)c(C)c1 31382 HVGPIHTZBICXBS-UHFFFAOYSA-N 332.451 5.506 0 40 EKAB Cc1ccccc1NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 385385 JAZJXHCJXAKHIZ-INIZCTEOSA-N 333.406 5.543 0 40 EKAB C[C@H]1CC2(CCCCC2)[N+]([O-])=C(Cc2ccccc2)c2ccccc21 1100901 MCLCMYDTWMAVGS-SFHVURJKSA-N 333.475 5.439 0 40 EKAB CCN(CC)CCC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1 1665803 LSDPEBNPMDMPDR-UHFFFAOYSA-N 347.458 5.528 0 40 EKAB CC(C)c1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 4646433 YYTIAZVYWYIOOR-XSFVSMFZSA-N 347.458 5.452 0 40 EKAB CCn1c(SCc2cccc(C)c2)nnc1-c1ccccc1Cl 5501182 FXGFXGTZENPCBE-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB O=C(c1ccc(F)cc1F)n1c(=S)sc2ccc(Cl)cc21 6584583 RMECAWHHRCPMHI-UHFFFAOYSA-N 341.791 5.052 0 40 EKAB Cc1ccc2[nH]c(SCCCOc3ccc(Cl)cc3)nc2c1 12462621 ZQKVICIRXCMBIS-UHFFFAOYSA-N 332.856 5.086 0 40 EKAB O=C(N[C@@H](c1ccccc1)c1cccs1)[C@H]1CCCc2ccccc21 12870836 RTTRGUQMEALPPF-FPOVZHCZSA-N 347.483 5.074 0 40 EKAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(C)cc1 20040691 JDVKTSMKAXXUGB-RDTXWAMCSA-N 347.911 5.397 0 40 EKAB Cc1cc2nc(-c3ccccc3Cl)oc2c(Br)c1C 20156774 VLPDBTHHBQQKNR-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1C 30868225 XJVBZTWRAVBJHN-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB COC(=O)c1c(O)cccc1/C=C/c1ccc(-c2ccccc2)cc1 35973629 MSVBWZXACMCFIR-NTCAYCPXSA-N 330.383 5.016 0 40 EKAB Cc1cc2c(cc1C)N(C(=O)NC1CCCCC1)C(C)(C)C[C@H]2C 59428193 RYUCRIZNPLTBJQ-MRXNPFEDSA-N 328.500 5.438 0 40 EKAB Oc1nc(SCc2cccc(Cl)c2)nc2c1oc1ccccc12 67259877 HXOCTSBRDIJDTA-UHFFFAOYSA-N 342.807 5.027 0 40 EKAB Clc1ccc(Cl)c(-c2csc(-c3ccnc(Cl)c3)n2)c1 89263534 VUOHICVJNNXQNL-UHFFFAOYSA-N 341.650 5.832 0 40 EKAB CCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl 106970956 SLHLYAPDUAEBBL-UHFFFAOYSA-N 330.642 5.658 0 40 EKAB Cc1ccc(COc2ccc(CNc3ccc(C)c(C)c3)cc2)cc1 106975133 ALXNDIIGIZMVMF-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB CC(F)(F)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930486 MVEPLWKMZCHUJS-VHUDCFPWSA-N 338.482 5.870 0 40 EKAB CCCOc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218982210 UQFHHVYSDCJTNJ-UHFFFAOYSA-N 339.435 5.049 0 40 EKAB CCSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2300739 SSYBKLNPMICDDG-UHFFFAOYSA-N 326.490 5.349 0 40 EKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(Cl)c1 3353587 OMHOHVIWXIPSHS-UHFFFAOYSA-N 349.044 5.481 0 40 EKAB Cc1cc(C)c2nc(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1 5811816 VHKIKWQDEIQODB-UHFFFAOYSA-N 331.246 6.210 0 40 EKAB C[C@@H](Sc1ccc2ccccc2c1)c1nnc(-c2cccs2)o1 6847296 ZFIHFSUPSLHCJP-GFCCVEGCSA-N 338.457 5.805 0 40 EKAB CC(C)C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 32721487 ADNIMKFGHJWWOZ-MRXNPFEDSA-N 336.262 5.511 0 40 EKAB CCCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 66154984 NYKPWBHJPXUPPI-UHFFFAOYSA-N 333.431 5.880 0 40 EKAB COc1ccccc1CN(C)C(=O)N(c1ccccc1)c1ccccc1 95462114 QUNUFSVDKKYQNA-UHFFFAOYSA-N 346.430 5.085 0 40 EKAB c1ccc([C@@H](Nc2cccc(N3CCCCC3)c2)c2ccccn2)cc1 97048906 GIGZJZWQAPUWAF-HSZRJFAPSA-N 343.474 5.273 0 40 EKAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCCCC1 225660022 SOAZLRRQUIJRKK-UHFFFAOYSA-N 347.499 5.240 0 40 EKAB COc1cc(C)c(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1C(C)C 225665721 ZMNJJBPZHMSTRJ-QGZVFWFLSA-N 339.479 5.235 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225704607 NCOHZYUNZXERPU-DYESRHJHSA-N 349.515 5.486 0 40 EKAB CC1=Cc2c(sc(C)c2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 1570009222 IJJJGDMEGOVNEU-UHFFFAOYSA-N 338.560 7.278 0 40 EKAB COc1ccc(C(=O)c2cnc3ccccc3c2-c2ccccc2)cc1 157498 NDAJMSCDVKHDRU-UHFFFAOYSA-N 339.394 5.141 0 40 EKAB S=C(NC1CCCCC1)N(Cc1ccccc1)C[C@H]1CC=CCC1 191778 CUOWXQLKHLSLAL-IBGZPJMESA-N 342.552 5.052 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1sc(Cl)nc1-c1ccccc1 385376 VMQMCAFUJIHAMO-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB CCCCCN(CCCCC)C[C@@H](O)c1ccc(C)c(Cl)c1 2042616 ODLHQPYNOGLVNT-LJQANCHMSA-N 325.924 5.364 0 40 EKAB c1ccc2c(CSc3ncnc4c3oc3ccccc34)cccc2c1 2722821 PIAAOVIXPWVAHL-UHFFFAOYSA-N 342.423 5.822 0 40 EKAB CC(C)(C)c1ccc(COC(=O)N/C=C/c2ccc(Cl)cc2)cc1 3105678 BGCYICJDVQPKKZ-OUKQBFOZSA-N 343.854 5.535 0 40 EKAB CC(C)(C)c1ccc(OCCC(=O)Nc2cccc(Cl)c2)cc1 3292651 WXXORBOPIJQHLJ-UHFFFAOYSA-N 331.843 5.045 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C 3330628 PZCJGZOQAKUONJ-SFHVURJKSA-N 329.871 5.589 0 40 EKAB CCCCCC[C@H](C)NC(=O)c1ccccc1Oc1ccccc1 4690474 ZMDFEGOHHSGLFO-KRWDZBQOSA-N 325.452 5.568 0 40 EKAB c1ccc(N2CS[C@H](Cn3c4ccccc4c4ccccc43)C2)cc1 5395096 VDLRYWYPTHJHOJ-SFHVURJKSA-N 344.483 5.374 0 40 EKAB Cc1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(C)cc2)C4)cc1 5740376 JWZPZHOIJFNXTF-UHFFFAOYSA-N 340.470 5.344 0 40 EKAB Cc1ccccc1OCCCCn1c(-c2ccco2)nc2ccccc21 6752657 YLNKQWXLZPTGIE-UHFFFAOYSA-N 346.430 5.464 0 40 EKAB COc1cccc(/C=C/c2nc3cc(Cl)ccc3s2)c1OC 7717292 KZKWQQFDZXXXEQ-RMKNXTFCSA-N 331.824 5.137 0 40 EKAB Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1F 7847883 JRILYEURCFNEJJ-UHFFFAOYSA-N 347.820 6.670 0 40 EKAB CCc1cccc(C)c1NC(=O)c1cc(C(C)C)nc2ccccc12 8313029 LVWDYQSDNSWMRL-UHFFFAOYSA-N 332.447 5.481 0 40 EKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc2ccccc2s1 12616563 KKSWHFLXEKGEPM-UHFFFAOYSA-N 336.441 5.277 0 40 EKAB Cc1cc2ccccn2c1C(=O)c1cccc(Oc2ccccc2)c1 12618886 PENUKLVKGXAWBK-UHFFFAOYSA-N 327.383 5.271 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc2ccccc2c1 14258367 YHWVJTCUFNWTSC-UHFFFAOYSA-N 349.739 5.764 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)c1 24977235 DQCHYJVQDCJZEZ-ZWKOTPCHSA-N 346.474 5.134 0 40 EKAB COc1ccc2nc(C)c(C(=O)Nc3c(C)cccc3C(C)C)cc2c1 25766142 UGLNGBZMUWCOES-UHFFFAOYSA-N 348.446 5.236 0 40 EKAB Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C)cc3)n2)cc1 32137606 TTZLSDJJPLRJHY-UHFFFAOYSA-N 337.426 5.489 0 40 EKAB Clc1ccc(-c2nc(CN3CCC[C@@H]3c3ccsc3)co2)cc1 48278127 YMWSJXOWFKGEPY-QGZVFWFLSA-N 344.867 5.394 0 40 EKAB Cc1ccc(C2=Nc3ccccc3NC(C(F)(F)C(F)F)=C2)cc1 103407976 IJBKROQLGKPLFU-UHFFFAOYSA-N 334.316 5.326 0 40 EKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1F 225149031 NZHUXIDDLBSNBF-UHFFFAOYSA-N 339.753 5.631 0 40 EKAB CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC)CC[C@H]12 247941676 IUWKNLFTJBHTSD-LMYCIYFBSA-N 328.496 5.347 0 40 EKAB CN(Cc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 585090219 NXGDESDUETUROA-UHFFFAOYSA-N 345.067 5.392 0 40 EKAB O=C(Oc1cccc2ccccc12)c1sc2ccccc2c1Cl 357431 IEPZACYJKXIABJ-UHFFFAOYSA-N 338.815 5.927 0 40 EKAB CC(C)c1cccc(C(C)C)c1OC(=O)Nc1ccccc1Cl 1640183 RHTTXKISNVQSNJ-UHFFFAOYSA-N 331.843 6.198 0 40 EKAB CCCCN[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 1664844 QNOWTNZTIJIKSZ-ZWKOTPCHSA-N 338.278 5.158 0 40 EKAB CC(C)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 4137709 HNWXWHRURQFDIU-UHFFFAOYSA-N 343.452 5.912 0 40 EKAB CCCCC/C(=C/c1ccccc1)[C@H]1OCC(C)(C)[C@H](C(C)C)O1 4692687 PPSVGIOXFWDWGG-BLNHJESLSA-N 330.512 6.074 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1N=NC[C@@H]1c1ccccc1 4726303 ZVLZBNRHKZUUOD-RTWAWAEBSA-N 326.399 5.155 0 40 EKAB Cc1ccccc1-c1nnc(SCc2cccc3ccccc23)o1 5434834 ZWCHTURWPYMJCG-UHFFFAOYSA-N 332.428 5.491 0 40 EKAB CCCCCOc1ccc(C(=O)Nc2ccc3scnc3c2)cc1 10217500 PGWQZMWIBYHPBN-UHFFFAOYSA-N 340.448 5.118 0 40 EKAB Cc1ccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 13667655 ODMCHKSTHGAYAZ-DTQAZKPQSA-N 335.491 5.055 0 40 EKAB O=C(O)/C=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 15108150 KNOLHKLKYXNGRU-SOFGYWHQSA-N 346.213 5.094 0 40 EKAB c1ccc(CCCNc2cccc(OCCc3ccccc3)c2)cc1 19737463 CDIIOXNRZMVAOQ-UHFFFAOYSA-N 331.459 5.353 0 40 EKAB CCc1ccc2oc(Nc3nc4cc(Cl)ccc4s3)nc2c1 57352922 VEURWFAQNOSPOL-UHFFFAOYSA-N 329.812 5.397 0 40 EKAB CCCCN1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217626 AJLDZIJFZFRNDN-IBGZPJMESA-N 326.509 5.560 0 40 EKAB C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCCCCC3)c2)C1 84689685 LHGOZKRBAOPBDQ-FXAWDEMLSA-N 344.499 5.190 0 40 EKAB CCC[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)c1ccccc1 245239237 GTJWLICNGQSVJA-BTHPGYMESA-N 344.495 5.290 0 40 EKAB O=C(C[C@@H](SCc1ccco1)c1ccc(F)cc1)c1ccco1 134682 JKKCXQHPWSXJDL-GOSISDBHSA-N 330.380 5.259 0 40 EKAB O=c1oc2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccccc1 2576856 IBCQODPONNYOFY-UHFFFAOYSA-N 332.786 5.780 0 40 EKAB biogenic C[C@@H](Sc1nc2ccccc2s1)c1nnc(-c2cccs2)o1 5457798 GJLXEGDYEHYBCX-SECBINFHSA-N 345.474 5.261 0 40 EKAB O=C(CSc1ccccc1F)Nc1ccccc1-c1ccccc1 6402161 KUFIBPPFBYGRBX-UHFFFAOYSA-N 337.419 5.224 0 40 EKAB Cc1c(OCc2cccc3ccccc23)ccc2c(O)cc(=S)oc12 6483626 RURMMJAERAITHY-UHFFFAOYSA-N 348.423 5.909 0 40 EKAB Cc1occc1-c1nnc(SCc2ccc(-c3ccccc3)cc2)o1 7196314 MNNAPNNOTKOVKS-UHFFFAOYSA-N 348.427 5.597 0 40 EKAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(OC(C)C)c1 10715420 PAVPWZRFJLNEFM-INIZCTEOSA-N 341.451 5.005 0 40 EKAB Cc1ccc(-c2n[nH]c(-c3ccc(C)cc3)c2Br)cc1 12357684 RUCKQMMHCIOMNR-UHFFFAOYSA-N 327.225 5.123 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2ccccc2)nc1C 12972172 NWSGAQKROZGUDD-UHFFFAOYSA-N 344.458 5.741 0 40 EKAB CC1=Nc2c(-c3ccccc3)c(C)nn2[C@@H](c2cc(F)cc(F)c2)C1 14607128 YNUCCRCQTATTNF-GOSISDBHSA-N 337.373 5.222 0 40 EKAB c1ccc(-c2nc(SC[C@H]3CCCO3)oc2-c2ccccc2)cc1 16492178 YLVVDOZLECTXCK-QGZVFWFLSA-N 337.444 5.280 0 40 EKAB O=C(CCc1ccc2ccccc2c1)N1CCC(c2ccccc2)CC1 65475146 OQXUFNURJLYSQV-UHFFFAOYSA-N 343.470 5.179 0 40 EKAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C 80344222 BUIROUVGOUOHLP-SJORKVTESA-N 334.246 5.352 0 40 EKAB CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1 100003193 LIALNGUAWCANCX-QGFMHUBQSA-N 346.486 6.144 0 40 EKAB C[C@]12CC3CC(NC(=O)Nc4cccc(Cl)c4)(C1)C[C@](C)(C3)C2 100980754 BUODOHUYRDRAHQ-HSOIFAIESA-N 332.875 5.211 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OCC 408534348 VHGCWNHWGBEYQW-UHFFFAOYSA-N 347.842 5.170 0 40 EKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(Cl)cc2C)c1 408865915 DUBXANNPLIGRHY-UHFFFAOYSA-N 333.884 5.137 0 40 EKAB O=C(Nc1c(F)cccc1F)/C(=C/c1ccccc1)c1ccccc1 409259894 HFXURNPQVUTBOY-SAPNQHFASA-N 335.353 5.144 0 40 EKAB Cc1cc(C)c(S(=O)(=O)c2ccccc2-c2ccccc2)c(C)c1 348863 VGHPMDDUHLFLQV-UHFFFAOYSA-N 336.456 5.112 0 40 EKAB CCc1ccc2c(c1)N(C[C@@H](C)CN(C)C)c1ccccc1S2 1678383 USKHCLAXJXCWMO-HNNXBMFYSA-N 326.509 5.049 0 40 EKAB in-man O=C(c1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl 2514530 PGLQFJRLVCRJLS-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 2755864 BFSDIJNSFQNJKG-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1ccc(C)c(SCc2c(-c3ccccc3)nn(C)c2Cl)c1 3047449 DMFSXERUHSGORV-UHFFFAOYSA-N 342.895 5.650 0 40 EKAB Fc1cccc(Cl)c1Cc1noc(/C=C/c2ccccc2Cl)n1 3913247 VBDQIMFRDIWUCP-CMDGGOBGSA-N 349.192 5.277 0 40 EKAB O[C@H](CSCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 6588551 CEMVIKZHVXVIDW-LJQANCHMSA-N 332.896 5.186 0 40 EKAB CCC[C@@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)c1ccccc1 8389464 GWZPRMIUYOIHSF-CYBMUJFWSA-N 337.250 5.098 0 40 EKAB COc1cccc2cc(C(=O)Nc3cc(Cl)ccc3Cl)oc12 8960606 CJADXPIUJUZUHC-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB CC[C@H]1CN(Cc2ccccc2)Cc2cc3ccc(C)c(C)c3nc2O1 13563725 NXKJXDPCNVDFPZ-NRFANRHFSA-N 346.474 5.025 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)c(C)c1 13931396 KUZFTMQSEXCOTG-CQSZACIVSA-N 332.900 5.313 0 40 EKAB Cc1cc(C)c2oc(-c3cc(Cl)c(O)c(Cl)c3)cc(=O)c2c1 19688950 JPOWWQWHLQHXFK-UHFFFAOYSA-N 335.186 5.089 0 40 EKAB CC(C)(C)c1ccccc1OCCNc1cc(Cl)cc(Cl)c1 19737745 SXXDLACIGNXPRX-UHFFFAOYSA-N 338.278 5.782 0 40 EKAB CC(C)CN1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 72217263 WEOBGMZFKYQUMT-LJQANCHMSA-N 332.557 5.689 0 40 EKAB CCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1 90415535 BYZUWIASASXWRG-UHFFFAOYSA-N 330.324 6.139 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1c(F)c(F)c(F)c(F)c1F 95916024 RPVHJEHLMRHKQQ-UHFFFAOYSA-N 348.270 5.280 0 40 EKAB Cc1cc(-n2cccc2)cc(-c2nc3cc(C(C)C)ccc3o2)c1O 226281730 BVCJALYTXKCINM-UHFFFAOYSA-N 332.403 5.423 0 40 EKAB O=C1CS[C@@H](c2ccccc2)N1c1ccc(Oc2ccccc2)cc1 180313 FJXQPSWQRXSPMD-NRFANRHFSA-N 347.439 5.258 0 40 EKAB Cc1cc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c(Cl)c1N 569863 LLQDGYNFRSTZJN-UHFFFAOYSA-N 335.234 5.816 0 40 EKAB Cc1nc2sccn2c1-c1csc(Nc2ccccc2Cl)n1 1065893 CJYVGQRPZMLYHX-UHFFFAOYSA-N 346.868 5.225 0 40 EKAB Cc1nc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2s1 2659195 BAJZNGDDVBXWRN-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB O=C(/C=C/c1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1 4134649 PTVGAZXNLHTOHZ-VAWYXSNFSA-N 346.411 5.208 0 40 EKAB CCCCN(Cc1ccccc1)Cc1c(OC)ccc2ccccc12 4695071 NJFQOFYQFFOVPL-UHFFFAOYSA-N 333.475 5.651 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccco1 5376413 HNNCIRYDHPLEAA-YSIASYRMSA-N 339.479 5.383 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 5427133 OMUMQXPIWUEEEG-JGIIFYEQSA-N 330.556 6.881 0 40 EKAB biogenic O=C(Nc1nc2c(s1)CCCC2)c1sccc1-c1ccccc1 6609444 LYEIYAIRPJXKKN-UHFFFAOYSA-N 340.473 5.003 0 40 EKAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc2ccccc2s1 12414080 JACNWQFKSFWRAX-UHFFFAOYSA-N 339.504 5.190 0 40 EKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 14257883 LRZUHGXFOIKGJZ-UHFFFAOYSA-N 341.414 5.045 0 40 EKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)cc1 17072064 XTWNODWXRFUHBH-UHFFFAOYSA-N 346.380 5.544 0 40 EKAB CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 20109031 QNRWTQZHQMVBOJ-NTEUORMPSA-N 341.882 5.309 0 40 EKAB c1ccc2c(c1)Cc1cc([C@H]3NCc4ccccc4-n4cccc43)ccc1-2 55095247 XKELCQNIGDHOON-RUZDIDTESA-N 348.449 5.241 0 40 EKAB Cc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1Br 89064203 NKJDEHORLYOLQQ-UHFFFAOYSA-N 331.253 5.286 0 40 EKAB CC(C)c1ccc(CCCNC(=O)Nc2cccc(Cl)c2)cc1 222632989 UTYBZDFQTYLIMD-UHFFFAOYSA-N 330.859 5.218 0 40 EKAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225717342 SODBTLJCQXYKPX-IERDGZPVSA-N 347.499 5.098 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3ccc(F)c(F)c3)CCCC2)cc1 225860562 IRBSZMFLACPLBY-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccccc2)c1 409135544 QYMRQVQHJVIAMG-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCc1cc(C(=O)Nc2ccc(F)cc2)sc1-c1ccccc1 585152296 LWAMGWSZNKDOFQ-UHFFFAOYSA-N 325.408 5.369 0 40 EKAB C[C@H](NC1(c2ccccc2Cl)CC1)c1cnc2ccsc2c1 647315963 HSANJEZHFRURJQ-LBPRGKRZSA-N 328.868 5.290 0 40 EKAB Cc1nc(Nc2ccc(C)c(C)c2)cc(Nc2ccc(C)c(C)c2)n1 45126 CNICKQPBJFYBRG-UHFFFAOYSA-N 332.451 5.506 0 40 EKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 45979 TXZSDWVYFNLNTI-OVCLIPMQSA-N 333.362 5.270 0 40 EKAB Cc1cc(C)c(NC(=O)/C=C/c2c(Cl)cccc2Cl)c(C)c1 146045 ZKWKIPLYRXDONO-BQYQJAHWSA-N 334.246 5.571 0 40 EKAB CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 568254 AZLIFLGPRSRHGH-UHFFFAOYSA-N 344.867 5.601 0 40 EKAB Cc1ccc(-c2csc(-c3c(-c4ccccc4)noc3C)n2)cc1 1414953 FRTMNKUJVGMDIZ-UHFFFAOYSA-N 332.428 5.749 0 40 EKAB CC[C@@H](C)n1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 1470637 GUEQJUBCAPAIPT-GFCCVEGCSA-N 349.261 5.893 0 40 EKAB Cc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 2236420 OHIBFUPVNSMEAS-UHFFFAOYSA-N 329.378 5.488 0 40 EKAB Cc1ccc(COn2c(-c3ccccc3)nc3ccc(Cl)cc32)cc1 3063561 TXZWUHZKNZKASK-UHFFFAOYSA-N 348.833 5.294 0 40 EKAB CCCCOC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC 3875589 AVOLBYOSCILFLL-MRXNPFEDSA-N 334.456 5.017 0 40 EKAB biogenic CC(=O)Nc1ccc(C(=O)OC2CCCCCCCCCCC2)cc1 4402267 NMQRQUZOKVPQAY-UHFFFAOYSA-N 345.483 5.475 0 40 EKAB O=C(CCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl 4725007 NBCXGYHJHMXCMQ-UHFFFAOYSA-N 333.781 5.658 0 40 EKAB Cc1ccc(OCCCn2c(CC(C)(C)C)nc3ccccc32)cc1 5545658 BQGCZZLHGYXGTN-UHFFFAOYSA-N 336.479 5.402 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2ccccc2)CC1 5899952 QRYPPVHWIRYKGB-UHFFFAOYSA-N 348.368 5.117 0 40 EKAB CCCCC[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S 6172795 MBWANCKRNUYEQV-HNNXBMFYSA-N 345.556 6.122 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 6215283 UZQDREBLYIOPJR-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB Cc1c(C(=O)Nc2ncc(Cc3ccccc3)s2)oc2ccccc12 9668222 LTRBUULLLHEPQG-UHFFFAOYSA-N 348.427 5.041 0 40 EKAB CCCCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1 13785790 UUQCPIQTNIXNGV-MRCUWXFGSA-N 338.476 5.258 0 40 EKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(C)c3)c2c1 46086082 INYHJIHRAUSIPS-UHFFFAOYSA-N 337.419 5.481 0 40 EKAB CCSc1ccccc1C(=O)N[C@H](CC(C)C)c1ccccc1 219648238 SGAZFELHSZQDGX-GOSISDBHSA-N 327.493 5.316 0 40 EKAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C(C)(C)C)cc1 223626267 MZEKXPYKVAHONK-CYBMUJFWSA-N 347.861 5.197 0 40 EKAB CC1(C)NC[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)O1 253499545 XNXXTZVYIJSAOG-ZCJFVORRSA-N 345.571 5.514 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C=C\[C@H](O)CCCC(=O)OC 256929779 RWLSHOXCJVZJMD-OFNGDQMLSA-N 334.500 5.276 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)CSc1ccc2ccccc2c1 409178127 ITNSWKDWJARJER-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)CSc1cccc2ccccc12 409180252 XIFZIOOPHYJZIT-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB CSc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1018478 WFOPOQDMDPBQSU-UHFFFAOYSA-N 333.456 5.179 0 40 EKAB c1ccc(CN(CCc2c[nH]c3ccccc23)Cc2ccccc2)cc1 1279899 WEWPMAKQEUSKPV-UHFFFAOYSA-N 340.470 5.413 0 40 EKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccc(O)c2)cc1 2061968 JTSZTDRRJXQSML-UHFFFAOYSA-N 344.458 5.034 0 40 EKAB Cc1ccc(CCC(=O)c2ccc(Br)c(F)c2)cc1C 2517654 MHRHFHIVTSBGLD-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB Cc1ccc2oc(=O)c(-c3cccc(Cl)c3)c(-c3ccccc3)c2c1 2581738 WSXOINWZVULPAZ-UHFFFAOYSA-N 346.813 6.089 0 40 EKAB biogenic c1csc(-c2nc(Nc3ccc4c(c3)CCC4)c3ccccc3n2)c1 3352142 NSJHUSUFZGHBIN-UHFFFAOYSA-N 343.455 5.591 0 40 EKAB CC1(C)C(=O)OC2=C(CCC/C2=C\c2ccccc2)[C@H]1c1ccccc1 3850141 CHQRLLBSJDTXKD-WEIUTZTHSA-N 344.454 5.875 0 40 EKAB COc1ccc([C@@H]2C(C)=C(c3ccc(C)cc3)Oc3ccccc32)cc1 3905483 ALLHFMRYIWVNMM-QHCPKHFHSA-N 342.438 5.959 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12 4527945 LDWOCVLKNFPNQW-CBDHSJKGSA-N 345.486 6.107 0 40 EKAB CC(C)c1ccc(C(=O)N(c2ccccn2)[C@@H](C)c2ccco2)cc1 4869244 GXANOZQAVLVSRE-INIZCTEOSA-N 334.419 5.206 0 40 EKAB Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2)[C@H]3CCC1 4959778 NZSQNBHONQZHHP-QFIPXVFZSA-N 330.475 5.233 0 40 EKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 8499779 ICAVDFBIONZSJG-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB Cc1nc(Nc2ccc(F)cc2)c2oc3ccc(Cl)cc3c2n1 9361237 WEZVEQRDVBHDAD-UHFFFAOYSA-N 327.746 5.221 0 40 EKAB Cc1ccc(OCCCCSc2nc3cc(C)ccc3[nH]2)cc1 13063412 TZUBUBZFYJDGJM-UHFFFAOYSA-N 326.465 5.131 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl 14022743 XUMFUKWNPBHGDU-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Cc1ccc2nc(C3CC3)cc(C(=O)Nc3nc(C4CC4)cs3)c2c1 72309550 MAHZFFKEJRYUMR-UHFFFAOYSA-N 349.459 5.007 0 40 EKAB CCN(CC)c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1 73739993 TVWGIOSQSZFOMG-UHFFFAOYSA-N 341.458 5.539 0 40 EKAB CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 100003579 NZXZINXFUSKTPH-QGFMHUBQSA-N 334.494 7.235 0 40 EKAB CCCOc1c(C)cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225718094 TUXMTPFGYUDQRD-BTYIYWSLSA-N 347.499 5.016 0 40 EKAB CCOc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1 89689 HCKRWLBHCDIUGL-UHFFFAOYSA-N 331.466 5.026 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)COc1cccc2ccccc12 568896 BTJBLLATPOQKDS-INIZCTEOSA-N 333.431 5.371 0 40 EKAB Cc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(Cl)c1 2633638 SSZXYJXFZKHCKX-UHFFFAOYSA-N 337.806 5.693 0 40 EKAB C[C@@H]1CCCC[C@H]1Nc1ncnc2scc(-c3ccc(F)cc3)c12 3304984 DRAWZAKARCRKJZ-MLGOLLRUSA-N 341.455 5.488 0 40 EKAB C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cc1Cl 3431719 HQWDGDFQWJFKCZ-VIFPVBQESA-N 340.275 5.035 0 40 EKAB CC(C)[C@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 4981093 OQWGLWCRYXDABC-PHRRHICISA-N 339.523 5.147 0 40 EKAB C[C@H](NC(=O)Nc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 6249656 VACRUVVHKJBPDY-UHSVVUDUSA-N 332.875 5.066 0 40 EKAB COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1OC 7847205 RMUBTMOKWBESHA-UHFFFAOYSA-N 341.410 5.586 0 40 EKAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1F 8071600 FXRSIANHMKBXEM-UHFFFAOYSA-N 347.389 5.094 0 40 EKAB Cc1c(C(=O)Nc2ccccc2Cl)n(C)c2ccc(Cl)cc12 9264137 YCVZFBKWVFURGW-UHFFFAOYSA-N 333.218 5.046 0 40 EKAB O=C(CCC1CCCCC1)N1CCC[C@H]1c1nc2ccccc2s1 9865112 SZQIPPKMLGUUAH-KRWDZBQOSA-N 342.508 5.320 0 40 EKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 12346191 ZVDKASMWQLHQKL-UHFFFAOYSA-N 347.245 5.436 0 40 EKAB Cc1ccc2c(NC(=O)c3ccc(-c4ccccc4)cc3)cccc2n1 13946208 IHJAGEWGAWSCFP-UHFFFAOYSA-N 338.410 5.463 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 16399374 XEZQBYJNDKLOTM-WOSRLPQWSA-N 341.373 5.613 0 40 EKAB COc1ccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1 19902442 RCIGOSNBBDUIQM-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(C)C 20035264 UEGZNFFPURAVTJ-SFHVURJKSA-N 331.843 5.260 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1C 25403256 YDWBOQLBRDJOSM-UHFFFAOYSA-N 340.448 5.198 0 40 EKAB c1ccc(OCc2ccccc2CNc2nc3ccccc3o2)cc1 30521305 GIMNGYLRTHERAY-UHFFFAOYSA-N 330.387 5.019 0 40 EKAB Cc1ccccc1-c1cc2c(SCc3cccc(F)c3)nccn2n1 38486433 UPZSGOUHWJRNIE-UHFFFAOYSA-N 349.434 5.136 0 40 EKAB CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)cc1 78458956 AGJWNCPLYISJPZ-FQEVSTJZSA-N 339.479 5.073 0 40 EKAB Cc1[nH]c(-c2csc(-c3ccc(F)cc3)n2)nc1-c1ccccc1 95468294 RHHYPHPKEZFKDN-UHFFFAOYSA-N 335.407 5.315 0 40 EKAB Clc1ccc(CSCc2csc([C@@H]3CCCO3)n2)cc1 95975900 JKBWYAIEDPXNAK-AWEZNQCLSA-N 325.886 5.081 0 40 EKAB 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]3CC[C@]12C 118917643 LTDMCKMWCXEYTN-DVRMJHLQSA-N 330.512 5.049 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225744213 HKUQOHAVFQTUCQ-NRFANRHFSA-N 347.499 5.322 0 40 EKAB Nc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 226348900 AGEJVMINYRCFIA-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB CC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C\CCC(=O)O 299888585 PIFPCDRPHCQLSJ-ZPSNHEDCSA-N 330.512 6.773 0 40 EKAB endogenous,in-man Clc1ccc(CN(C2CCCCC2)C2CCCCC2)c(Cl)c1 408581176 HDEXFVYRGPRZNH-UHFFFAOYSA-N 340.338 6.461 0 40 EKAB Cc1ccc(-c2cc(C)nc(SCc3ccccc3Cl)n2)cc1 409386610 VPXNNCXVJPWKDG-UHFFFAOYSA-N 340.879 5.706 0 40 EKAB CCOc1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1 303210 GACBVWMTKFVVSB-UHFFFAOYSA-N 341.414 5.000 0 40 EKAB CCCCCC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C 2779436 MGODBRAVZCCOMJ-XLIONFOSSA-N 336.479 5.545 0 40 EKAB Fc1ccc(Sc2nc3ccccc3cc2-c2ccccc2)cc1 3049412 HBRVQPXZFJFEOJ-UHFFFAOYSA-N 331.415 6.192 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4027852 WIWIXNXBHJVZNI-DVKUGRPHSA-N 344.539 5.151 0 40 EKAB biogenic CC(=O)CC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C 4587567 OMUMQXPIWUEEEG-RLLKEQMBSA-N 330.556 6.881 0 40 EKAB CC(C)(C)c1ccc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc1 6508624 DFIHOZBZGKATFM-NTCAYCPXSA-N 335.403 5.141 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=O)CCSc1ccccc1 8339402 JEKANMVKTFSZNS-UHFFFAOYSA-N 343.492 5.114 0 40 EKAB Cc1c(Cl)cccc1NC(=O)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12 13562523 BJQLPOYHBJQLJD-IMNAQEROSA-N 343.898 5.916 0 40 EKAB OCc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 34772852 WZIIAPFNDQFXQY-UHFFFAOYSA-N 333.214 5.218 0 40 EKAB CCc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1 35681528 MVBWSGYTNMBQBS-SSZFMOIBSA-N 337.444 5.264 0 40 EKAB CCOc1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 44904140 CTWZYSDUPHPJJY-QGZVFWFLSA-N 349.883 5.248 0 40 EKAB C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@@H]1C[C@H]2CC[C@H]1C2 102230329 MBMPVAXSMWGZGN-OTRWWLKZSA-N 349.503 5.595 0 40 EKAB CC(C)(C)[Si](C)(C)OCCCc1ccc(Br)cc1 170013296 REUHPAXQYVWMPV-UHFFFAOYSA-N 329.354 5.404 0 40 EKAB S=C(Nc1ccccc1Cl)NC1(c2ccccc2)CCCC1 225843907 JVMRNMFNCLCUEC-UHFFFAOYSA-N 330.884 5.096 0 40 EKAB CC(C)Oc1ccc(NC(=O)C(C)(C)c2ccccc2)c2ccccc12 225943866 BAVQWVODNVVQAT-UHFFFAOYSA-N 347.458 5.543 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21OCCS1 253595821 JIFTUOBNCNREQG-ZSJKZKTASA-N 348.552 5.058 0 40 EKAB CCCCc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 408713731 QSZWAHGPMAPIOZ-UHFFFAOYSA-N 348.446 5.147 0 40 EKAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cccc2ccccc12 575414925 QLVRBKNBBMICNK-IBGZPJMESA-N 349.480 5.482 0 40 EKAB Cc1ccc(Oc2ccc(F)cc2OCCN(C(C)C)C(C)C)cc1 585266198 ITQRCEIVVBHRBR-UHFFFAOYSA-N 345.458 5.424 0 40 EKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c(C)c3)sc2c1 38559 CXFOIENWLZESRE-UHFFFAOYSA-N 345.851 5.432 0 40 EKAB CC(C)=C[C@@H]1[C@H](C(=O)OCc2ccc(Cl)c(Cl)c2)C1(C)C 1597474 PPTXHTFTKUWKRN-IUODEOHRSA-N 327.251 5.275 0 40 EKAB Oc1ccc(C2(c3cccc(Br)c3)CCCCC2)cc1 2030516 IBXXUUCWLNVTPQ-UHFFFAOYSA-N 331.253 5.405 0 40 EKAB FC(F)Oc1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1 3255459 CXJKLMGIMOKXLD-UHFFFAOYSA-N 344.386 5.250 0 40 EKAB Cc1ccccc1C1N=C(c2ccccc2)SC(c2ccccc2)=N1 4084619 QUTSABOFPROHGR-UHFFFAOYSA-N 342.467 5.634 0 40 EKAB COc1ccc2nc(SCc3c(Cl)cccc3Cl)[nH]c2c1 4406516 QUETZGVWIDGLDO-UHFFFAOYSA-N 339.247 5.171 0 40 EKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc2ccccc2c1 5541022 GQHKJCVIZDIFLB-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCSc1ccccc1 5938054 DHHILWCTWFBHEF-UHFFFAOYSA-N 347.911 5.586 0 40 EKAB CCSc1ccccc1C(=O)N(Cc1ccccc1)c1ccccn1 6387823 RTZJWWIOIFNTTD-UHFFFAOYSA-N 348.471 5.041 0 40 EKAB Cc1cc(C)c2c(CC(=O)Nc3ccc(C)c(Cl)c3)coc2c1 6809782 OYPKFHSWWJUZCA-UHFFFAOYSA-N 327.811 5.193 0 40 EKAB Cc1ccc(CNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 7538224 ANDRBIDDEZBPDK-UHFFFAOYSA-N 346.257 5.852 0 40 EKAB O=C(Nc1ccccc1)N(Cc1cccs1)c1ccc(F)cc1 8586721 UDUMKKDFSIKPPP-UHFFFAOYSA-N 326.396 5.126 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1 10357939 WOVPGCHEQXKAFN-UHFFFAOYSA-N 347.483 5.718 0 40 EKAB Cc1nc2ccccc2nc1COc1ccc2oc3ccccc3c2c1 12372678 FNNOQGRBGRKCFP-UHFFFAOYSA-N 340.382 5.417 0 40 EKAB CCCCC1CCC(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 13042364 DJXPBQOKBJJTGE-UHFFFAOYSA-N 343.555 6.869 0 40 EKAB COc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@@H]3c3sc(C)cc32)c1 15022796 HOBBDLHPRHUDAZ-KYNGSXCRSA-N 344.476 5.220 0 40 EKAB CCCOc1ccc(Br)cc1CNc1ccc(C)cc1C 37509608 WQQOUTCKPQHSBD-UHFFFAOYSA-N 348.284 5.467 0 40 EKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccccc1 59482546 GUEMECXNGNQWNV-UHFFFAOYSA-N 336.460 5.323 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 64982600 IVDJGPQCPUKEJU-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)CS1 118918204 QOPVNDPJLOUFPN-NOECQHEYSA-N 346.580 5.432 0 40 EKAB CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 223012937 HZDPEOWUZDQWRS-JOCHJYFZSA-N 349.518 5.744 0 40 EKAB Cc1cc(C)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)c1 409129462 GFTZGFDAEPGAOQ-WOJGMQOQSA-N 343.492 5.228 0 40 EKAB C1=C(c2cccs2)CC(c2cccs2)=NN=C1c1cccs1 33437 LOWDKVALUFNYEY-UHFFFAOYSA-N 340.498 5.552 0 40 EKAB c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 86976 AAZMLKGEERBKRT-MAUKXSAKSA-N 338.457 5.052 0 40 EKAB Fc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccccn23)cc1 201200 DRJOYFGLFAVNPU-UHFFFAOYSA-N 342.377 5.365 0 40 EKAB Cc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1 369047 NGBKWDJBTKYOSP-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 6882524 CCMBPQFYKIVIJI-UHFFFAOYSA-N 338.278 5.461 0 40 EKAB Cc1ccccc1NC(=S)N[C@H](C)c1ccc(CC(C)C)cc1 7584677 ZGTIWQRULFBTLN-MRXNPFEDSA-N 326.509 5.241 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)c3cccnc3Cl)cc2)cc1 8051364 PNKXZYVGEOYEOV-UHFFFAOYSA-N 338.794 5.088 0 40 EKAB CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 9141058 LDYZNHNMTLVEMG-UHFFFAOYSA-N 328.799 5.230 0 40 EKAB Cc1ccccc1OCCSc1nc2ccccc2n1C(C)C 12062347 UUMMXYOLDQLDSA-UHFFFAOYSA-N 326.465 5.097 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(Cl)cc1Cl 13788041 GBUVHVVUQXJRJC-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 20104753 IQNNHKMOYKERQT-CQSZACIVSA-N 331.506 5.059 0 40 EKAB Fc1cc(Br)ccc1CSc1ccc(Cl)cc1 70132745 WGLOFNLJRYOVLO-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB CC(C)CN1CCCC[C@H]1c1cccnc1SC1CCCCC1 72217324 IFUIFOHWOAOTQB-IBGZPJMESA-N 332.557 5.689 0 40 EKAB O=C(O)CCCCCCCCCCCC(=O)OCc1ccccc1 141504957 KQINCEXNMZLESQ-UHFFFAOYSA-N 334.456 5.106 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225701299 NZRUWYZECYSOLH-OAQYLSRUSA-N 349.515 5.262 0 40 EKAB Cc1ccc(C2=NN3[C@H](c4ccc(C)o4)Oc4ccccc4[C@H]3C2)cc1 227485599 WGINVKXRFIYRLC-KNQAVFIVSA-N 344.414 5.139 0 40 EKAB Cc1ccc(-c2nnc(Oc3ccc(F)cc3)c3ccccc23)cc1C 3172909 AMSICTBPOKJIPM-UHFFFAOYSA-N 344.389 5.845 0 40 EKAB FC(F)(F)c1cccc(Nc2ncnc3c2oc2ccccc23)c1 3285466 ZYGCEIORNXIDBQ-UHFFFAOYSA-N 329.281 5.138 0 40 EKAB CCCCCC1CCC(c2ccc(N3Cc4ccccc4C3)cc2)CC1 4036596 YRAJKAQIYTYUNG-UHFFFAOYSA-N 347.546 7.061 0 40 EKAB COC1=C(c2ccccc2)[P@@](=O)(Cc2ccccc2)[C@H]2CCC[C@H]12 5340516 AKWNNMKWUQSOIX-AXHZCLLHSA-N 338.387 5.747 0 40 EKAB c1cc(C23CC4CC(CC(C4)C2)C3)nc(C23CC4CC(CC(C4)C2)C3)c1 5376202 AYXFZCMSQQRCFF-UHFFFAOYSA-N 347.546 6.017 0 40 EKAB Cc1ccc(NC(=O)Cc2nc(-c3cc4ccccc4o3)cs2)cc1 6671375 DHDQGTNJJNOZCG-UHFFFAOYSA-N 348.427 5.046 0 40 EKAB C[C@@H](Sc1ccc(C(C)(C)C)cc1)c1nc2ccccc2c(=O)[nH]1 7285832 CYSDIMXDKDTPGO-CYBMUJFWSA-N 338.476 5.074 0 40 EKAB CN1/C(=C\C=C\c2nc3ccccc3s2)C(C)(C)c2ccccc21 11667593 LZJZETRZLWEXJK-KIXFDZIWSA-N 332.472 5.621 0 40 EKAB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)s1 26040220 PGHVCXFJSKFIAC-UHFFFAOYSA-N 331.487 5.155 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl 44845195 OXTOBWFADXUAQF-UHFFFAOYSA-N 344.720 5.191 0 40 EKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 57313212 VXJJXJIVIBIBKE-UHFFFAOYSA-N 345.870 5.434 0 40 EKAB CC(C)c1ccc2oc(Nc3nc4c(Cl)cccc4s3)nc2c1 57352904 SMGPGQZHLNBEFG-UHFFFAOYSA-N 343.839 5.958 0 40 EKAB CC[C@H](NC(=O)COc1ccccc1C(C)C)c1ccc(C)cc1C 222813379 ZSUHGCMRZIBEBX-FQEVSTJZSA-N 339.479 5.073 0 40 EKAB Cc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1C 225034054 GZHNNQMUVUPQSU-JOCHJYFZSA-N 346.426 5.045 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)C(F)(F)C(F)(F)F)cc2)cc1 575242783 ISGDIKNWQZLJQD-UHFFFAOYSA-N 342.307 5.686 0 40 EKAB Oc1ccc(Cl)cc1Nc1nc(-c2ccccc2)nc2ccccc12 132608 JBXVHYDBALWBEO-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB Clc1ccc([C@H](CCNCc2ccco2)Cc2ccccc2)cc1 2194713 DNQZBCYGPJQUOJ-LJQANCHMSA-N 339.866 5.439 0 40 EKAB S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CCCO1 3335913 FQJBXCXAEHYUJJ-KRWDZBQOSA-N 336.460 5.059 0 40 EKAB Clc1nc(CSc2ccccc2)nc2sc3c(c12)CCC3 3445814 UPRZPOVQILLEAF-UHFFFAOYSA-N 332.881 5.126 0 40 EKAB OC1=N[C@H](c2ccc(Cl)cc2)Nc2scc(-c3ccccc3)c21 4571725 MZHPONNFHWDNCO-INIZCTEOSA-N 340.835 5.497 0 40 EKAB CCSc1ccccc1C(=O)Nc1nc(-c2cccs2)cs1 4585699 OPVHPPGIZUQBCG-UHFFFAOYSA-N 346.502 5.236 0 40 EKAB Fc1ccc(/C=C/c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 4657183 VOPGIAVIYKTXKE-FPYGCLRLSA-N 335.165 5.353 0 40 EKAB Cc1cccc(-n2c(C)nnc2S[C@H](C)c2ccccc2Cl)c1 5360532 YLRYRHJUOBSUSB-CYBMUJFWSA-N 343.883 5.391 0 40 EKAB CC1(C)[C@H]2CC[C@@H]1[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 5645067 BNRWIFFGXQRKHM-DRCTWCGVSA-N 328.239 5.367 0 40 EKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CNC(=O)S)CCC[C@@]21C 5732013 NRXKSPXADCTTJA-JBACZVJFSA-N 345.552 5.460 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@H]1CCCc2ccccc21 6232017 TZBBNWLBJHEPCO-CKDFRHGISA-N 346.257 5.200 0 40 EKAB Cc1cc(F)ccc1NC(=S)Nc1ccc(Cl)cc1Cl 13937307 NJITWRNNMGVZCY-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1Cl 13994440 KMPYRKBUCSZYDZ-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB Clc1cccc(-c2cnc(CNc3cccc4ccccc34)o2)c1 32753216 VWYOITWJOOJVOV-UHFFFAOYSA-N 334.806 5.760 0 40 EKAB Fc1ccc(NCc2ncc(-c3cccc(Cl)c3)o2)c(F)c1F 32819331 LEFNIXDPCYFEMA-UHFFFAOYSA-N 338.716 5.024 0 40 EKAB O=C(CCCc1cccs1)Nc1ccccc1-c1cccs1 32857929 GNWRAGBJXGICGS-UHFFFAOYSA-N 327.474 5.438 0 40 EKAB S=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCCCC1 33803412 DTJLNLCPMSSVNP-UHFFFAOYSA-N 345.895 5.080 0 40 EKAB Cc1ccc(-c2cc(C(F)(F)F)nc(N[C@@H](C)C(C)(C)C)n2)cc1 36613632 MYVREOVJWTUXRK-LBPRGKRZSA-N 337.389 5.317 0 40 EKAB O=C(Nc1ccccc1C(F)(F)F)Nc1cccc(Cl)c1F 51354230 GKKRXARZIGWNSH-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB S=C(NCc1cccc2ccccc12)Nc1ccc2ccccc2c1 63563660 SWXJCBZFPFGKPK-UHFFFAOYSA-N 342.467 5.480 0 40 EKAB Cc1nc2ccccc2nc1CSCc1csc(C(C)(C)C)n1 84057639 ZTSQTXFCTYSIPB-UHFFFAOYSA-N 343.521 5.126 0 40 EKAB CCCc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1 199720092 HFZFPHRHLXWGNA-UHFFFAOYSA-N 326.440 5.416 0 40 EKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225510615 FCXQHMAHMYWXAY-UHFFFAOYSA-N 337.463 5.153 0 40 EKAB CC1=CC(C)(C)N(C(=O)NC2CCCCC2)c2c(C)cc(C)cc21 267084 ITAHPHXJLRVPLY-UHFFFAOYSA-N 326.484 5.348 0 40 EKAB COc1ccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)cc1 320043 VYZMYGNLFOTRQC-UHFFFAOYSA-N 335.451 5.063 0 40 EKAB O=C(/C=C/c1ccccc1)Oc1ccccc1-c1nc2ccccc2o1 362411 KKNJAMZCXJHBKQ-CCEZHUSRSA-N 341.366 5.114 0 40 EKAB COc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 362934 OREHYIOBHVWGSM-UHFFFAOYSA-N 341.451 5.203 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 364971 AWOKVJPNMXOFPX-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1F)c1ccncc1 506025 WLZSEUHUUXHKAQ-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB Cc1ccc(-c2nc3c(Cl)c(N)c(Cl)cc3o2)cc1Cl 570198 RUGOCRHGVBMNEO-UHFFFAOYSA-N 327.598 5.346 0 40 EKAB COc1ccc(Oc2cccc3c2[C@H](O)C[C@@H]3c2ccccc2)cc1 1383492 ZSESMMUNDVHDRD-WOJBJXKFSA-N 332.399 5.057 0 40 EKAB O=C(O[C@@H]1CCCC[C@@H]1C1CCCCC1)C(Cl)(Cl)Cl 1686281 NBNJNFUHTVVPMM-VXGBXAGGSA-N 327.679 5.039 0 40 EKAB CCCCc1cc(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 2136893 GKRZYSKXMVXJSR-UHFFFAOYSA-N 326.436 5.164 0 40 EKAB biogenic CCOc1cccc2cc(-c3cc(=O)oc4ccc(Cl)cc34)oc12 2357488 JXDLJIYSTPTBTG-UHFFFAOYSA-N 340.762 5.258 0 40 EKAB biogenic CC1=CC(C)(C)N(C(=O)/C=C/c2ccccc2)c2cc(C)c(C)cc21 2370991 GMSPRMCGFHWSIH-VAWYXSNFSA-N 331.459 5.545 0 40 EKAB C[C@@H](Nc1nc(Cl)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 4695999 NLDYXWLNNLFBTB-JSFDKUKPSA-N 341.886 5.300 0 40 EKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccs2)o1 7001891 KNLZILPFVISIRL-CQSZACIVSA-N 348.427 5.605 0 40 EKAB C[C@@H]1CCc2c(sc3nc(-c4ccccc4)cc(-c4ccco4)c23)C1 7148285 JJELJTLNMKIEMT-CQSZACIVSA-N 345.467 6.348 0 40 EKAB C[C@H]1CCc2c(sc3nc(-c4ccccc4)cc(-c4ccco4)c23)C1 7148288 JJELJTLNMKIEMT-AWEZNQCLSA-N 345.467 6.348 0 40 EKAB COc1ccc(-c2ccc(CNCc3ccc(C)cc3)o2)cc1Cl 7539682 CJRSXUHQBIJLLW-UHFFFAOYSA-N 341.838 5.207 0 40 EKAB Cc1ccc(COc2ccc(C(=S)NCc3ccccc3)cc2)cc1 9188084 YFDFDUONMDOMKT-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB CSCc1c(C(=O)Nc2cccc3cccnc23)oc2ccccc12 14516511 JIGBFMQJOVIMNQ-UHFFFAOYSA-N 348.427 5.096 0 40 EKAB CCCOc1c(Cl)cc(C(=O)Nc2cc(C)ccc2C)cc1OC 15269534 HIIZTKYVAYZVPJ-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB CCCCCCOc1ccc(CNc2ccc(OC)c(Cl)c2)cc1 19738098 YPCTZBYHJCGYFR-UHFFFAOYSA-N 347.886 5.920 0 40 EKAB O=C(CCc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc(F)cc1 58391919 CTNFFGLBMIFUDN-QFIPXVFZSA-N 347.433 5.275 0 40 EKAB Cc1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc1-c1ccccc1 95468296 ZGUWQIPNRFIRCS-UHFFFAOYSA-N 345.358 5.220 0 40 EKAB O=C1Nc2cc(Cl)ccc2/C1=C\c1csc(-c2ccsc2)n1 104178946 ITQRYKZLVPPKHG-AWNIVKPZSA-N 344.848 5.018 0 40 EKAB c1ccc(/N=c2\sc3ccccc3s\c2=N/c2ccccc2)cc1 104311838 FMVHAGUFSUOTQL-WRBBJXAJSA-N 346.480 5.428 0 40 EKAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 224648391 UMYFBZAOGDVNCB-UONOGXRCSA-N 347.911 5.260 0 40 EKAB CC[C@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 225709313 FTDRFFNYWVIXAO-IBGZPJMESA-N 326.509 5.358 0 40 EKAB Cc1ccc2nc(-c3cccs3)c(Nc3c(C)cccc3C)n2c1 426794 RWSLTXBMOOYZMS-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB CC(C)CN(CC(C)C)c1nc(-c2ccccc2)nc2ccccc12 1745080 SBZLOPCTQSKTGJ-UHFFFAOYSA-N 333.479 5.415 0 40 EKAB CC(C)(C)c1ccc(-c2nnc(SCC3CCCCC3)o2)cc1 4129623 LPGSPJYXGYDXME-UHFFFAOYSA-N 330.497 5.707 0 40 EKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc(C)o3)cs2)CC1 6582972 RJWFNCXDJDJZCZ-UHFFFAOYSA-N 346.496 5.647 0 40 EKAB O=C(c1cc2ccccc2o1)N(Cc1ccccc1)Cc1ccccc1 7613771 YQPDGSQOYUHAJN-UHFFFAOYSA-N 341.410 5.275 0 40 EKAB O=C(CCC1CCCCC1)Nc1ccc(C(=O)c2ccccc2)cc1 8382756 QVECWJOSUVOMDC-UHFFFAOYSA-N 335.447 5.217 0 40 EKAB CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 13714169 WUEPRPUYMIZVFA-NRFANRHFSA-N 345.833 5.353 0 40 EKAB Oc1ccccc1-c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1 18205922 MTTOHRDKQDVTCP-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB CCC(=O)c1ccc(OCc2coc(-c3ccc(C)cc3C)n2)cc1 29360482 QZXWBZGWNYBWBA-UHFFFAOYSA-N 335.403 5.130 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 44946128 TVFQLTWOLZIGMC-MRXNPFEDSA-N 339.479 5.341 0 40 EKAB CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)cc1 59351728 MFRLDLYQWCLSMV-JOCHJYFZSA-N 329.443 5.543 0 40 EKAB Cc1cc(C)c2nc(-c3cc(Cl)c(Cl)c(Cl)c3)[nH]c2c1 70462778 PXAMMLWFVSHYAQ-UHFFFAOYSA-N 325.626 5.807 0 40 EKAB Cc1c(F)cccc1NC(=S)Nc1cccc(Cl)c1Cl 71326013 DVPRXKRCJMWIHD-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)[C@H](O)CC(=O)O 71404721 LINWKSYGMQNQNZ-VNTMZGSJSA-N 342.564 5.897 0 40 EKAB c1ccc(CN2CCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 72214067 CCWSAPHHUAIIKH-OAQYLSRUSA-N 329.447 5.162 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 80345017 GRDONPYYNWNOEV-CVEARBPZSA-N 334.246 5.352 0 40 EKAB Cc1ccc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)s1 84205528 OWNFGBLFLAKSIO-HXUWFJFHSA-N 343.442 5.408 0 40 EKAB c1ccc(CSc2nc(-c3ccco3)oc2-c2cccs2)cc1 96346717 XBMKLEQNHNKJQB-UHFFFAOYSA-N 339.441 5.955 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219318434 ANHGVSKVULZVLY-SFTDATJTSA-N 339.479 5.037 0 40 EKAB CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C)cc1C 223657088 OISONZTWAJVLID-OAQYLSRUSA-N 335.491 5.383 0 40 EKAB O=C(O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 267010 WSGYBTGXPLGQHA-UHFFFAOYSA-N 339.394 5.510 0 40 EKAB Cc1ccccc1OCCn1c(Cc2ccccc2)nc2ccccc21 572444 ARJNMMXPFWDVDT-UHFFFAOYSA-N 342.442 5.015 0 40 EKAB Cc1ccccc1Cn1c(-c2cccnc2Cl)nc2ccccc21 1386029 LAKWOSQVKMUBSQ-UHFFFAOYSA-N 333.822 5.108 0 40 EKAB COc1ccc(-c2oc(-c3ccc(OC)cc3)c3ccccc23)cc1 1673513 CNTRLEAHTOEKFL-UHFFFAOYSA-N 330.383 5.784 0 40 EKAB c1ccc(CNc2cccc3c(NCc4ccccc4)cccc23)cc1 1726608 OZPOTUPUEZNJTD-UHFFFAOYSA-N 338.454 6.064 0 40 EKAB Clc1ccc(-c2nc3ccccn3c2NC2CCCCC2)s1 3911554 LQOILTQKFHKDJX-UHFFFAOYSA-N 331.872 5.461 0 40 EKAB Clc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ccccc2S1 4336429 OFZHWFSIDOELHN-OAQYLSRUSA-N 349.886 6.698 0 40 EKAB Fc1ccc(Nc2ncnc3sc4c(c23)CCCCC4)c(Cl)c1 6602689 PEWVETIIAZQNND-UHFFFAOYSA-N 347.846 5.496 0 40 EKAB Fc1ccc(-c2cc3ncnc(NCc4cccs4)c3s2)cc1 6653030 RVSNCIOVQDHHSR-UHFFFAOYSA-N 341.436 5.171 0 40 EKAB Fc1cccc(CSC2=NC3(CCCCC3)Nc3ccccc32)c1 8023423 ICMCNJIPGHMSPL-UHFFFAOYSA-N 340.467 5.592 0 40 EKAB COC(=O)c1ccc(N(c2ccc(C)cc2)c2cccc(C)c2)s1 16292615 LJSUGQHGWDTQRH-UHFFFAOYSA-N 337.444 5.621 0 40 EKAB Fc1ccc(CSc2nc(-c3ccccc3)c3ccccc3n2)cc1 19957046 IUEDHBLMKSFSGG-UHFFFAOYSA-N 346.430 5.728 0 40 EKAB Cc1noc(C)c1CNc1cc(Cl)ccc1Oc1ccccc1 24992431 OQYJQOPGVZUKMT-UHFFFAOYSA-N 328.799 5.349 0 40 EKAB O=C(Nc1ccccc1)N(Cc1ccco1)c1cccc(Cl)c1 27795739 IOYPBXZGIJDXGW-UHFFFAOYSA-N 326.783 5.172 0 40 EKAB O=C(Cc1ccc2ccccc2c1)Nc1cccc(N2CCCCC2)c1 65665641 WNHZZFRUGOFRQS-UHFFFAOYSA-N 344.458 5.011 0 40 EKAB Cc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 95116515 GTRZZEPXJYEGBJ-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225540523 WDSKAEMJHQXKSS-UHFFFAOYSA-N 337.463 5.153 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225624374 ZLTGNTCWVLPPII-FQEVSTJZSA-N 335.488 5.015 0 40 EKAB CC[C@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(C)cc1C 225713398 SRVCSQJXPBSORA-SFHVURJKSA-N 326.509 5.358 0 40 EKAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225717398 SODBTLJCQXYKPX-KKSFZXQISA-N 347.499 5.098 0 40 EKAB Cc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1 502533 BFHFUYCOHQVYNR-UHFFFAOYSA-N 325.415 5.217 0 40 EKAB Clc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 509316 KCLGPJZWOHYWMF-UHFFFAOYSA-N 333.778 5.138 0 40 EKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(C)C)cc2)c1 578790 LJTNKXZKDHZWAB-UHFFFAOYSA-N 344.842 5.064 0 40 EKAB FC(F)(F)c1c(Cl)nc(Nc2ccccc2)c(Cl)c1Cl 2082617 JLGONRWVZGMPPB-UHFFFAOYSA-N 341.547 5.804 0 40 EKAB Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cc1 3256952 PFKUQMQTKFXTEI-KRWDZBQOSA-N 344.458 5.225 0 40 EKAB Cc1nc(Oc2cccc(F)c2)c2cc(-c3ccccc3)sc2n1 3313989 DDYPOKIUMPIWKE-UHFFFAOYSA-N 336.391 5.598 0 40 EKAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1c1ccccc1 3388884 HUWYPPUQHWDVPS-LJQANCHMSA-N 334.806 5.111 0 40 EKAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 6045257 UOUORNKXVCDWEL-UHFFFAOYSA-N 346.761 5.048 0 40 EKAB Cc1ccc2nc(-c3ccccc3)c(CN3CCC[C@@H](C)C3)c(O)c2c1 8572583 LSWXHDYETMSIEK-QGZVFWFLSA-N 346.474 5.148 0 40 EKAB C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1cc2ccccc2o1 12926578 DFBYNJXHPRAHJU-SNVBAGLBSA-N 334.202 5.231 0 40 EKAB Cc1cccc(C)c1NC(=O)[C@H](C)SC/C=C/c1ccccc1 15493883 ZUBBKESKUNQJHZ-YJJOXIQCSA-N 325.477 5.077 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 20048090 CLDLVBVMVNADKD-LJQANCHMSA-N 343.470 5.394 0 40 EKAB C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1nc2ccccc2o1 32777566 HHWQSAHIMNZCGI-LLVKDONJSA-N 335.234 5.328 0 40 EKAB COc1ccc2c(Br)c(OCc3ccccc3)ccc2c1 38278623 QRONLZOWBNLXQD-UHFFFAOYSA-N 343.220 5.190 0 40 EKAB C[C@@H](c1cccnc1)N(C(=O)Nc1ccccc1C(C)(C)C)C1CC1 71921442 FNKLDVRCNXCUFY-HNNXBMFYSA-N 337.467 5.137 0 40 EKAB Clc1ccc2nc(Nc3cccc(Br)c3)sc2c1 89065143 FSEJZYNBPZSXMW-UHFFFAOYSA-N 339.645 5.456 0 40 EKAB CC1(C)C(=O)N(c2cnc3ccccc3c2)c2ccccc2C1(C)C 90660246 LJTUJCWGAUIJHQ-UHFFFAOYSA-N 330.431 5.217 0 40 EKAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 96572748 OWNPTGZJFYPRMH-UHFFFAOYSA-N 329.443 5.146 0 40 EKAB O=C(O)CCC/C(=C/c1ccc(F)cc1)c1nc2ccccc2s1 96861790 SNOKAFKBCKRGQB-OWBHPGMISA-N 341.407 5.231 0 40 EKAB COc1ccc(N[C@@H](CC(=O)c2ccc(F)cc2)c2ccccc2)cc1 104529338 VHKDTLKMWSDGNP-NRFANRHFSA-N 349.405 5.261 0 40 EKAB Cc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1C 223128032 DAVKUZIBZRSVTL-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB Cc1cc(C)c(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)c(C)c1 225137520 FWDSTXVNOLWMRX-KRWDZBQOSA-N 334.868 5.053 0 40 EKAB CCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225620874 YOOPGHAHZJAVQS-OXQOHEQNSA-N 335.488 5.015 0 40 EKAB CC(C)c1cc(-c2ccccc2OCc2ccccc2)ccc1C(=O)O 2037873700 IOJZHSUBWKBHGL-UHFFFAOYSA-N 346.426 5.754 0 40 EKAB O=C1C[C@@H](c2nc(-c3ccc(Cl)cc3)cs2)C2(CCCCC2)O1 495457 YHORLPLVXDUJFM-AWEZNQCLSA-N 347.867 5.197 0 40 EKAB Cc1sc(NC(=O)c2ccc(C(C)C)cc2)nc1-c1ccccc1 1284194 GBRLFSJVVOSEMH-UHFFFAOYSA-N 336.460 5.494 0 40 EKAB CCCOc1cc2c(cc1[C@H](C)c1ccc(OCC)c(C)c1)OCO2 1587079 KEDHPWBIHOCGBC-OAHLLOKOSA-N 342.435 5.063 0 40 EKAB Clc1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 2120233 FLIPKEOIOKCVMB-UHFFFAOYSA-N 329.830 6.465 0 40 EKAB Cc1cc(N[C@H](C)c2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 2416058 CBUHQNAUZMHGKD-MRXNPFEDSA-N 342.446 5.186 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc2ccccc2n1 2621447 CNMDAKXPDXJDAO-UHFFFAOYSA-N 338.410 5.078 0 40 EKAB COc1ccc([C@H](C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 6030337 DXVHRQUDMSBFHD-HNNXBMFYSA-N 340.507 6.148 0 40 EKAB CC(C)c1ccccc1NC(=O)CSCc1ccccc1Cl 7094206 ZYBDTMGVRGCKDW-UHFFFAOYSA-N 333.884 5.335 0 40 EKAB Cc1ccccc1/N=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1 8570868 GSEFGHPHUDICMR-OEAKJJBVSA-N 345.398 5.023 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14400604 CGKIVJRJLKHBFD-CQSZACIVSA-N 345.870 5.352 0 40 EKAB Cc1c(O)cc(C(C)C)c(O)c1-c1c(C)c(O)cc(C(C)C)c1O 31159182 QYNCIWOOLDANTG-UHFFFAOYSA-N 330.424 5.040 0 40 EKAB biogenic,in-vitro Cc1ccccc1NC(=O)Cc1coc2cc(C)c(Cl)c(C)c12 39892978 OMPVCJHKRPUYCO-UHFFFAOYSA-N 327.811 5.193 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 78458149 JWIMJEZQSANCDB-SJORKVTESA-N 347.458 5.047 0 40 EKAB CC1=C[C@H](C)[C@@H]2CO[C@H](c3ccccc3OCc3ccccc3)[C@@H]1[C@H]2C 104094874 DUWXMXJIRAGQTJ-ZABKRDDUSA-N 348.486 5.801 0 40 EKAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 113943368 IXONPKLJUHHFDR-AWEZNQCLSA-N 343.492 5.112 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(C)cc1C 225715636 TYJVUMQGXZAIIT-QGZVFWFLSA-N 334.435 5.019 0 40 EKAB CN1CCC[C@@H]1CCOc1cccc(F)c1Oc1cccc(Cl)c1 585266166 COZSUWJUSQACPO-OAHLLOKOSA-N 349.833 5.135 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 41658 KYAPQLSNXCVKLK-ZZXKWVIFSA-N 326.610 5.299 0 40 EKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(CC)cc1 97610 FARAZWKZTQOCDT-UHFFFAOYSA-N 334.419 5.026 0 40 EKAB CC(C)c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1 3896464 GMULLPUMEYZKRG-UHFFFAOYSA-N 328.419 5.263 0 40 EKAB Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4282026 FAPJNWPAOVBJEE-RXVVDRJESA-N 346.455 5.299 0 40 EKAB Cc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c(C)c1 4555070 FJGQHJKOJLAUDE-UHFFFAOYSA-N 330.840 5.127 0 40 EKAB OC1(c2ccc(Br)cc2)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@H]21 4900495 LGQFIHRWMOPYMC-TWHOJGMMSA-N 349.312 5.263 0 40 EKAB Cc1cc(Cl)cc(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 6922084 JGPNTNXOMFDQRA-UHFFFAOYSA-N 343.641 5.908 0 40 EKAB COc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2C)cc1 11566323 UTWZGHNJURINPB-UHFFFAOYSA-N 344.867 5.833 0 40 EKAB COc1ccc2c(C)cc(Nc3ccc(SC(F)F)cc3)nc2c1 12564539 FTXWBIXOPRZSCI-UHFFFAOYSA-N 346.402 5.610 0 40 EKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 14396849 PCHLMIVMHRIUNW-ZDUSSCGKSA-N 331.843 5.044 0 40 EKAB CSc1ccc(Cl)c(C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 30836506 VHDINRDCYFVICN-VXGBXAGGSA-N 325.905 5.007 0 40 EKAB CC[C@H](N[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 31924543 NVERXPXBCCTSMD-FCHUYYIVSA-N 329.443 5.352 0 40 EKAB COc1cccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)c1 78401251 RXUWALFFTCPKDJ-UHFFFAOYSA-N 331.202 5.126 0 40 EKAB CC[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 142037765 JLGZORWYRRXGLS-QFIPXVFZSA-N 330.427 5.642 0 40 EKAB CCCN(CCCC(=O)O)c1cc(Cl)ccc1Oc1ccccc1 225005485 GEEBGXIFKOIUGB-UHFFFAOYSA-N 347.842 5.214 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 408587811 UTBWGSAQRCHJKH-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB CC(C)c1c(-c2ccccc2)[nH]c2c(C(F)(F)F)cccc2c1=O 685938360 JNXQQPSQXFUFOX-UHFFFAOYSA-N 331.337 5.337 0 40 EKAB Cc1cc(C)c(-c2cc(O)c(-c3c(C)cc(C)cc3C)cc2O)c(C)c1 1651907 QLGVXKFPOKNNFD-UHFFFAOYSA-N 346.470 6.282 0 40 EKAB CCCc1cc(NC2CCCCC2)n2nc(C)c(-c3ccccc3)c2n1 2437158 NAZYDBBASHIVDR-UHFFFAOYSA-N 348.494 5.402 0 40 EKAB Clc1ccc(Nc2nc(N3CCCCC3)c3ccccc3n2)cc1 2633441 NLAZVQUHGCEWMM-UHFFFAOYSA-N 338.842 5.017 0 40 EKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1c(F)cccc1Cl 3253596 FHGKMHBWEPHTNL-UHFFFAOYSA-N 340.737 5.598 0 40 EKAB Clc1ccc2nc(Nc3ccc(Br)cc3)sc2c1 4243175 UKIBAICNXIBJFE-UHFFFAOYSA-N 339.645 5.456 0 40 EKAB Cc1cccc(NC(=O)c2ccc(C3SCCS3)cc2)c1C 5558518 XOXJVOAXXRAGNU-UHFFFAOYSA-N 329.490 5.034 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)CSCc1cccc(Cl)c1 7094141 HVTDWHDXRSDDOW-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CCCCCCNCc1ccc(OCc2cccs2)c(OC)c1 7261022 IWNGTKWMTKJQFX-UHFFFAOYSA-N 333.497 5.006 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 8041162 JMVSXMSPSIOJRV-KRWDZBQOSA-N 325.452 5.052 0 40 EKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)[C@H](C)CCC3)cc1 12641685 VSQAMUCSQAADSG-OAHLLOKOSA-N 347.527 6.590 0 40 EKAB Cc1ccc(CO[C@@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@H]23)c(C)c1 12954230 GOYSMGSBVGBIAH-JEDBISTDSA-N 334.912 5.391 0 40 EKAB CC(C)C1(O)[C@@H](C)[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 13756367 QTCCWCRPTWVSSV-ZFKQBZJWSA-N 337.507 5.074 0 40 EKAB CC(C)c1cc(C(=O)Nc2ccc(F)c(F)c2F)c2ccccc2n1 14634332 RQANVUIQKICFLT-UHFFFAOYSA-N 344.336 5.028 0 40 EKAB CCCCNCc1ccc(-c2ccc(Cl)cc2Br)o1 20158490 WRDFDBNONJZPCU-UHFFFAOYSA-N 342.664 5.252 0 40 EKAB CC(C)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 27662696 FQUCIZPDSXAGNG-UHFFFAOYSA-N 348.421 5.191 0 40 EKAB CC1=CN(c2ccc(Cl)cc2)C(=O)N(c2ccccc2)N=C1C 28526903 IIGBYLGASKGNHO-UHFFFAOYSA-N 325.799 5.066 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc(C)c1Cl 40913178 APGBHOHKOUMUFU-HNNXBMFYSA-N 345.870 5.486 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 44848360 LPKPUQANJLHPHF-QGZVFWFLSA-N 339.932 5.440 0 40 EKAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3CCc3ccccc3)cc2c1C 58413549 NEENLJGHWHAMIX-HXUWFJFHSA-N 346.474 5.022 0 40 EKAB CCn1c2ccccc2c2cc(N[C@H](C)c3nc(C(C)C)no3)ccc21 58656442 LRHNTXNENOBDNK-CQSZACIVSA-N 348.450 5.494 0 40 EKAB COc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225511059 PRRVYSRAVGKWGC-UHFFFAOYSA-N 337.463 5.071 0 40 EKAB CCCCC/C=C/C/C=C\C[C@@H]1O[C@@H]1C/C=C/CCCC(=O)OC 299888775 XAOMBLXPIQCTNG-ATSMQNMOSA-N 334.500 5.516 0 40 EKAB Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)c1 180032 MNYRSRUDIXKZOG-MRXNPFEDSA-N 338.259 5.080 0 40 EKAB CC[C@H](C)Cn1c(-c2cccc(Br)c2)nc2ccccc21 352640 XKPDQJRCNCKUDE-ZDUSSCGKSA-N 343.268 5.512 0 40 EKAB COc1cccc(C(=O)Nc2ccc(Sc3ccc(C)cc3)cc2)c1 1400388 BOTSUSFSHPGROW-UHFFFAOYSA-N 349.455 5.407 0 40 EKAB Clc1ccc2c(NCc3ccc(Cl)c(Cl)c3)ncnc2c1 1405666 CRZSWRVOVGHGKV-UHFFFAOYSA-N 338.625 5.202 0 40 EKAB CSc1nc(-c2ccccc2)nc2c1Cc1cc(Cl)ccc1O2 2688002 ROCXALXJOBZMAT-UHFFFAOYSA-N 340.835 5.215 0 40 EKAB c1ccc2nc(Sc3ncnc4sc5c(c34)CCCC5)ccc2c1 3170914 FFCNXMDQBNOXEF-UHFFFAOYSA-N 349.484 5.270 0 40 EKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 4173403 GBGBZODHBDYVBP-QFIPXVFZSA-N 328.415 5.051 0 40 EKAB Cc1ccc(NC(=O)C2=C(c3ccccc3)SCCS2)c(C)c1 5362671 KNUTYVHFHGAMEL-UHFFFAOYSA-N 341.501 5.091 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccccc3F)ccc21 6248920 AKCIFKSMKDIKBZ-UHFFFAOYSA-N 346.405 5.135 0 40 EKAB Clc1ccc(CSc2ncc(-c3ccccc3)[nH]2)cc1Cl 8770024 WZXPUQAMFJYKNK-UHFFFAOYSA-N 335.259 5.676 0 40 EKAB Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1Cl 11326467 RTGVOVMZVGQMBM-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)C[C@@H](C)CC4)C1 12610114 KUJNNBUZCIDGIB-STQMWFEESA-N 337.488 5.806 0 40 EKAB Cc1ccc([C@@H](NC(=O)Nc2ccccc2F)c2cccs2)cc1 12782373 GCCHAOVYFKQVRO-GOSISDBHSA-N 340.423 5.107 0 40 EKAB CN(C(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 13676437 BNCFOSVLJPEREE-CAPFRKAQSA-N 347.845 5.544 0 40 EKAB Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@H](C)c3ccccc3)N2)n1 19240269 ZLPSSFCVBZYTFX-KBRIMQKVSA-N 340.517 5.245 0 40 EKAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 22522751 DPLZBULSYWCFNV-INIZCTEOSA-N 325.452 5.339 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)o2)cc1C 33661257 XJERRTCMSUKFMP-UHFFFAOYSA-N 339.822 5.778 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 45891595 PBMWOBUHLOZIFX-UHFFFAOYSA-N 337.250 5.125 0 40 EKAB c1ccc(CN2CCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 72217590 JPOOPJZQRJHWTM-OAQYLSRUSA-N 346.499 5.570 0 40 EKAB Cn1c(-c2cc(-c3ccccc3)nc3ccccc23)nc2ccccc21 95116614 OFGWQRBNSQYQNL-UHFFFAOYSA-N 335.410 5.456 0 40 EKAB COc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccccc2)cc1 104529343 VHKDTLKMWSDGNP-OAQYLSRUSA-N 349.405 5.261 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 225709342 YHWVCVVYYSCYCH-LJQANCHMSA-N 326.509 5.358 0 40 EKAB CCc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 95055 BWBRWMGQPHJGTO-UHFFFAOYSA-N 340.810 5.118 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1cc(Cl)ccc1Cl 579382 UEJSGWRQLVJOQB-VMPITWQZSA-N 326.610 5.299 0 40 EKAB CC(C)c1ccc(/C=C/C(=O)Nc2nc3ccc(F)cc3s2)cc1 2591101 AZSJMCWEYFNAST-BJMVGYQFSA-N 340.423 5.211 0 40 EKAB CCCC[C@H](CC)CNC(=O)c1c(-c2ccccc2Cl)noc1C 2752915 OZKYEOKANLMDFG-AWEZNQCLSA-N 348.874 5.250 0 40 EKAB CCOCc1c(Cl)c(Cl)c(COCC)c(Cl)c1Cl 3159696 SWUKHEVCXWUKMU-UHFFFAOYSA-N 332.054 5.373 0 40 EKAB Clc1ccc(SCc2cc(Cl)nc(-c3ccccc3)n2)cc1 4013047 MSRIEPUCMOLKEE-UHFFFAOYSA-N 347.270 5.743 0 40 EKAB CC1(C)CC2=C[C@@]3(C)CC(C)(C)C[C@@]4(C3)Nc3ccccc3C(=C24)C1 4115565 PHBAQGYYSGARNA-ZEQRLZLVSA-N 333.519 6.581 0 40 EKAB CN1c2ccccc2-c2ccccc2[C@@]12C=Cc1cc(Cl)ccc1O2 4645951 SSAIRRVQPJLXQX-QFIPXVFZSA-N 345.829 5.715 0 40 EKAB CCN(CC)c1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1 5249728 UMYNBDHPCLBJIF-UHFFFAOYSA-N 346.434 5.274 0 40 EKAB CCCC[C@@H](CC)C(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1 6042873 WQOGRFWEAGNFGQ-OAHLLOKOSA-N 344.524 6.088 0 40 EKAB CC[S@@](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 6371581 MWPCQURWMQHOBA-HNNXBMFYSA-N 326.459 5.081 0 40 EKAB Cc1ccc(-c2nnc(COc3ccc4oc5ccccc5c4c3)o2)o1 12462514 FHALAXHIDNUAEC-UHFFFAOYSA-N 346.342 5.116 0 40 EKAB c1ccc(-c2cc(-c3cnc4ccccc4n3)nc3ccccc23)cc1 16492745 FMUIQXDQCZJWAB-UHFFFAOYSA-N 333.394 5.512 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1C 20490088 ZZYNMMWDVCFWAQ-QGZVFWFLSA-N 333.884 5.466 0 40 EKAB CC[C@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(C)cc1 22515915 JGUGCPRNVURBDQ-FQEVSTJZSA-N 341.520 5.113 0 40 EKAB O=C(/C=C/c1ccccc1)N(Cc1ccco1)c1ccc(Cl)cc1 27795485 LPCVABANBFJUNX-MDWZMJQESA-N 337.806 5.180 0 40 EKAB Fc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1 107038777 VWJWNHISOLCQSU-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB Brc1cccc(-c2nc3ccc(-n4cccc4)cc3o2)c1 216741977 GDRGWAZXJWUKTR-UHFFFAOYSA-N 339.192 5.048 0 40 EKAB Cc1ccccc1[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 223792029 RHWSTSCPWTVVER-JOCHJYFZSA-N 349.861 5.097 0 40 EKAB Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2C)cc1 408622459 QKJLSIVPYAUWGW-UHFFFAOYSA-N 335.378 5.487 0 40 EKAB Cc1ncc2c(n1)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C2 1390486 FIYMKYMGVVYCBM-INIZCTEOSA-N 341.241 5.447 0 40 EKAB CC(C)(C)C1CCC(C(=O)OCc2nc3ccccc3s2)CC1 2635945 BDROKDLPUSEMHW-UHFFFAOYSA-N 331.481 5.192 0 40 EKAB CCc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1 3323955 IULSTMLSGPHIPU-UHFFFAOYSA-N 331.444 5.664 0 40 EKAB C[C@H](SCc1cccc2ccccc12)c1nc2ccccc2c(=O)[nH]1 3867665 AMMBSNNZAKGSFY-AWEZNQCLSA-N 346.455 5.071 0 40 EKAB O=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccccc1Cl 4708908 VUEOWHYSYKVUPS-QGZVFWFLSA-N 340.835 5.173 0 40 EKAB CCOc1ccc(NC(=S)Nc2ccccc2C(C)(C)C)cc1 5637734 KOMGYWWRVPPRMZ-UHFFFAOYSA-N 328.481 5.192 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 7211658 FAZFQWZAKCLONC-UHFFFAOYSA-N 325.355 5.070 0 40 EKAB Cc1ccc(NC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc1 12985404 YQSWXPQMNZTKCB-IBGZPJMESA-N 336.460 5.276 0 40 EKAB CC(C)(N)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1 14957904 CBJJSCYIXJYEAW-UHFFFAOYSA-N 339.442 5.158 0 40 EKAB Cc1cccc(Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c1 17123084 FKVYXRKLPSZRPX-UHFFFAOYSA-N 331.419 5.171 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(C)cc(C)cc1C 20041294 RADNWKSRHCRQFM-LJQANCHMSA-N 325.452 5.025 0 40 EKAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccc(Cl)cc1 27794157 RXVRVUADPRRHGW-UHFFFAOYSA-N 347.801 6.006 0 40 EKAB Clc1cccc(OCc2csc(-c3ccccn3)n2)c1Cl 32892843 YGXOZMFPRJDKJY-UHFFFAOYSA-N 337.231 5.091 0 40 EKAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(C)c1 80344940 JTKIRUUHGJTEJK-HOTGVXAUSA-N 334.246 5.352 0 40 EKAB Cc1ccc(-c2ccsc2C(=O)N[C@@H](C)Cc2cccs2)cc1 84171879 DVIUGTYCMVQAOZ-AWEZNQCLSA-N 341.501 5.146 0 40 EKAB c1ccc(Oc2ccc(-c3csc(-c4cnccn4)n3)cc2)cc1 84556980 ADRHUBLGVIAVAQ-UHFFFAOYSA-N 331.400 5.059 0 40 EKAB Cc1c(F)cccc1NC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 89540344 LXJWFKKZZLGMLJ-DYESRHJHSA-N 338.426 5.067 0 40 EKAB C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102384660 WKCHJURXJMZKAJ-ZUEQLIKTSA-N 341.445 5.469 0 40 EKAB CCCC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260622309 SSDUNMVBIARJPP-DYVFJYSZSA-N 337.891 5.164 0 40 EKAB Cc1ccc(COc2ccc(CNc3cc(C)ccc3C)cc2)cc1 409110039 QASJVNOLIDEBTF-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB CCc1cccc2c(C=O)cn(CCCOc3cc(C)ccc3C)c12 409204563 ACUIIHUJISPHOD-UHFFFAOYSA-N 335.447 5.102 0 40 EKAB O=C(c1cc(Cl)cc(Cl)c1Cl)C(F)(F)C(F)(F)F 575242761 HCQKCPLVKQOXKB-UHFFFAOYSA-N 327.463 5.027 0 40 EKAB CC(C)c1c(C(F)F)[nH]c2ccc(OCc3ccccc3)cc2c1=O 685938010 UUKSIUZWNCBARM-UHFFFAOYSA-N 343.373 5.168 0 40 EKAB O=C(NCc1cc(-c2ccsc2)cs1)c1cccc(Cl)c1 1775969951 TYYMYZXJYSXDAK-UHFFFAOYSA-N 333.865 5.060 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 282030 VLWMZLGXWXUUOP-SECBINFHSA-N 344.625 5.053 0 40 EKAB CCCCCCC(=O)C[C@H](SCC)c1ccc(Cl)cc1Cl 1570336 QDQSXQCKIPQJHM-KRWDZBQOSA-N 347.351 6.717 0 40 EKAB CCOc1ccc(/C=C/C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 1775718 PZFBGRXTAPWPIN-LICLKQGHSA-N 344.410 5.371 0 40 EKAB CCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 1865478 FIEYMFNFBGHMEI-UHFFFAOYSA-N 325.408 5.188 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 3014150 BKAUYEOONJVYNR-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB CSc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 3166269 PAEMUPAAAZAEMO-UHFFFAOYSA-N 340.429 5.017 0 40 EKAB CC[C@@H](C)NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212495 BPKXXVYVNFRZRY-MRXNPFEDSA-N 339.375 5.680 0 40 EKAB CC(C)Oc1ccc([C@H](CCNCc2ccco2)c2ccccc2)cc1 4029662 VMSYGQHTCFNZBG-HSZRJFAPSA-N 349.474 5.379 0 40 EKAB biogenic COc1ccc2oc(C(=O)Nc3ccc(Cl)cc3Cl)cc2c1 8166244 PKVIUVSHVJFDIO-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB CCc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 10332549 FYWOXRABJBOMNS-UHFFFAOYSA-N 345.442 5.613 0 40 EKAB O=C(Nc1cccc(Br)c1)Nc1cccc2ccccc12 16544989 ZJHZXCYDOSDUMX-UHFFFAOYSA-N 341.208 5.246 0 40 EKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20456677 PZEAXQCQMKZSCI-UZLBHIALSA-N 339.479 5.019 0 40 EKAB Cc1cccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)c1 22073104 KIZINAKNQJSZLP-UHFFFAOYSA-N 331.419 5.003 0 40 EKAB Fc1cccc(Cl)c1CN(Cc1cccc2cccnc12)C1CC1 84493834 WUDMVPPUAAZHIG-UHFFFAOYSA-N 340.829 5.192 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1 98072816 AVMRCLYYTVPSID-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB CN(C(=O)c1cc2cc(F)ccc2o1)c1c(Cl)cccc1Cl 156440442 VXYGXTIOHAHKPG-UHFFFAOYSA-N 338.165 5.155 0 40 EKAB Clc1cccc(-c2nc3cc(CN4CCCCC4)ccc3o2)c1 216841282 IWXQFCHTFLDQFY-UHFFFAOYSA-N 326.827 5.134 0 40 EKAB CC[C@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1C 225713465 OZVNTKRPVARQJP-IBGZPJMESA-N 326.509 5.358 0 40 EKAB CC(C)CC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575242824 JXHOGHDZBZZMLZ-UHFFFAOYSA-N 329.443 6.385 0 40 EKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2c1 122517 UPAIPZBECNBTMH-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB CCCc1cc(=O)oc2cc(C)c3c(-c4cccc(OC)c4)coc3c12 488972 MIAXLZHORQUWNJ-UHFFFAOYSA-N 348.398 5.476 0 40 EKAB biogenic CC[C@H]1CCCCN1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 1469204 HAMIPPDCBFOBBY-ICSRJNTNSA-N 339.504 5.311 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc(C)cc1Cl 8401687 UARJBIBFCBCIIW-UHFFFAOYSA-N 339.822 5.371 0 40 EKAB Cc1ccc2nc(-c3ccccc3)c(CN3CCC(C)CC3)c(O)c2c1 8571846 MRMPLSGNGZZRNV-UHFFFAOYSA-N 346.474 5.148 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)C)ccc3o2)c(Cl)c1 9141363 VNGBWXPBGXCTNQ-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(C)cc2)cc1 9871376 WMGGXBWLUHQEPD-FQEVSTJZSA-N 338.451 5.153 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 10313853 DFAGYCHHBRBCPJ-UHFFFAOYSA-N 335.369 5.400 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1C 22540212 WBZKYPFDOYNTJE-CQSZACIVSA-N 335.369 5.122 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1ccccc1F 58184105 KRUYEUNWPDZMKO-HSZRJFAPSA-N 332.484 5.189 0 40 EKAB O=C(CCc1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl 85652007 PMFUIGHJIMRBGT-UHFFFAOYSA-N 347.163 5.828 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)cccc1C 222905126 VMGDOYIJXQGYLB-LJQANCHMSA-N 339.479 5.397 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(N)c1 226348175 ADVDVUBIIVBKNP-UHFFFAOYSA-N 340.810 5.051 0 40 EKAB CCC[C@@H](C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358953 JNXKSDVPQXIBHL-LJQANCHMSA-N 343.470 6.775 0 40 EKAB Cc1c(-c2cccc(Cl)c2)c(=O)oc2ccc(Br)cc12 57981 VOQATLSOJUHWON-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB biogenic CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1ccccc1)CCCC3 1817324 QXVHBCKZEKJHGC-UHFFFAOYSA-N 348.442 5.828 0 40 EKAB Cc1nc2ccccc2n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2022767 WLZCZGWURBEMMW-UHFFFAOYSA-N 336.479 5.635 0 40 EKAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 2633648 FIKACBVDMDWGRL-IBGZPJMESA-N 343.470 5.034 0 40 EKAB Cc1cc2occ(CC(=O)N3CCCc4ccccc43)c2cc1C(C)C 3333887 ZFKPTUJYJSRABY-UHFFFAOYSA-N 347.458 5.387 0 40 EKAB c1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3s2)cc1 3335962 WQFYYCPXCZZFRN-UHFFFAOYSA-N 326.424 6.112 0 40 EKAB C[C@H]1[C@H]2C[C@H]([C@H]([C@H](Nc3ccccc3)c3ccccc3)C2=O)C1(C)C 4035903 AFKLAVFLSMAXRE-FHKHNKIZSA-N 333.475 5.337 0 40 EKAB CC(C)N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 4110212 BBUUJKPDSCXERR-UHFFFAOYSA-N 331.415 5.534 0 40 EKAB CCN(CC)CCOc1ccccc1Cc1ccc2ccccc2c1 5469611 FBOUIPOPXGQELR-UHFFFAOYSA-N 333.475 5.151 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2ccccc2c1 8382781 LXXJKWDSGVCIDR-UHFFFAOYSA-N 341.410 5.644 0 40 EKAB O=C(C1CCC1)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 9502363 CRPWDUSTQPXHTK-UHFFFAOYSA-N 342.851 5.415 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)c1 10542767 UTGOUIASLFWQHZ-GOSISDBHSA-N 329.443 5.461 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 20481470 JZAWJPFPWNYVJU-OAQYLSRUSA-N 347.458 5.507 0 40 EKAB CC(C)C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 21835407 RQCLAISLTMZDDT-KRWDZBQOSA-N 335.369 5.223 0 40 EKAB Fc1ccccc1CCNCc1ccc(-c2ccc(Cl)cc2)o1 22076533 UOKPPWWTCITGGK-UHFFFAOYSA-N 329.802 5.071 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 22529127 NLGBXRWNCVIBSK-GOSISDBHSA-N 339.822 5.289 0 40 EKAB COc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)c1 84148740 RPJUIVGBEVYKBN-UZLBHIALSA-N 338.451 5.009 0 40 EKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)Nc2c(Cl)cc(Cl)cc21 199427511 UMBSHUNHBAPUTM-DIFFPNOSSA-N 349.261 5.292 0 40 EKAB Clc1cc(Cl)cc(-c2nc3ccc(-n4cccc4)cc3o2)c1 216744015 DHOPMNUVTOCSSR-UHFFFAOYSA-N 329.186 5.592 0 40 EKAB CC(C)Sc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 219653471 BWKWRRFBYRKVEH-UHFFFAOYSA-N 347.911 5.203 0 40 EKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1 225614716 ACCJCZNYCTXYGX-UHFFFAOYSA-N 349.515 5.137 0 40 EKAB CC(C)(C)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1 1384038 TYUZNNRXLWPGIA-UHFFFAOYSA-N 332.369 5.401 0 40 EKAB C[C@@H](C(c1ccccc1)c1ccccc1)[C@@H](C)NCCc1ccccc1 1836509 VUZGHCOZWVELNI-NHCUHLMSSA-N 343.514 5.675 0 40 EKAB CSc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2)cc1 3896511 BEOOOXMLJNMHMR-UHFFFAOYSA-N 346.459 5.170 0 40 EKAB CC(C)(C)c1ccc(C(=O)CSc2nc3ccccc3o2)cc1 4740826 HLLKPUPVBVGVMX-UHFFFAOYSA-N 325.433 5.100 0 40 EKAB Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1C 5215527 UNBKYHNCTPUGHP-UHFFFAOYSA-N 342.398 5.412 0 40 EKAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc3ccccc23)c1 6396957 GDUDAIGQXUCABD-UHFFFAOYSA-N 346.430 5.221 0 40 EKAB CCc1cccc(C)c1NC(=O)c1sc(-c2ccsc2)nc1C 7402227 FYMWPVUYIYXTMB-UHFFFAOYSA-N 342.489 5.303 0 40 EKAB CCOc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1 8590516 DKGBATRJSLQGRM-UHFFFAOYSA-N 346.839 5.081 0 40 EKAB Cc1cccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)c1 10447468 KHMHZVAHCOPHEO-UHFFFAOYSA-N 347.483 5.217 0 40 EKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1)C(C)(C)N2 13475765 WSMVBFAVEXXTQW-ZZEZOPTASA-N 338.501 5.678 0 40 EKAB Cc1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)ccc1Cl 71761872 GWTNBWQILIMUKO-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB O=C(c1cc(Cl)ccc1Cl)c1ccccc1OC(F)(F)F 95917436 ZUUIXDOIZZTLKV-UHFFFAOYSA-N 335.108 5.123 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)CCc2cccc3ccccc23)c1 222671513 XAXUSBXSPFNQTM-SFHVURJKSA-N 331.459 5.267 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 224458951 IQHNOGSHQQBCBC-DYESRHJHSA-N 341.495 5.330 0 40 EKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1Cc1sc(N)nc12 253388865 LDZFZRSSOBEODZ-QQBLWPHESA-N 330.541 5.172 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 254352014 XEZQBYJNDKLOTM-HEHGZKQESA-N 341.373 5.613 0 40 EKAB Clc1cccc(N=c2[nH]c3c(s2)CCc2ccccc2-3)c1Cl 408896572 OKBVDMWAQUVZHF-UHFFFAOYSA-N 347.270 5.381 0 40 EKAB CCCCN(CCCC)CCC(=O)c1ccc(Cl)c2ccccc12 1628200 GLUWJJVCFQGKDU-UHFFFAOYSA-N 345.914 5.968 0 40 EKAB Clc1ccc(-n2cc(-c3ccccc3)cc2-c2ccccc2)cc1 3182796 RSGQQYSNQYTGPN-UHFFFAOYSA-N 329.830 6.465 0 40 EKAB CCC[C@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C(C)C 4084641 VKZWRJPZKYCXEQ-GPJHCHHRSA-N 337.507 5.266 0 40 EKAB Cc1ccc(CO[C@@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@@H]32)c(C)c1 4110304 GOYSMGSBVGBIAH-PIKADFDJSA-N 334.912 5.391 0 40 EKAB CC[C@@H](C)c1cc(/C=C2/OC(=O)c3ccccc32)cc(C(C)C)c1O 4655727 FMULPEQWVYLEJY-MQMKENTISA-N 336.431 5.698 0 40 EKAB Cc1cccc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)c1C 4667791 LWFCGOMQCABGAK-QGZVFWFLSA-N 347.433 5.852 0 40 EKAB CSc1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc1 5222897 FPCOMAONOPUUQM-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB CC[C@]1(C)C[C@@](CCNCc2ccc(F)cc2)(CCC(C)C)CCO1 5296948 IJWAMTILPWMMFI-FGZHOGPDSA-N 349.534 5.707 0 40 EKAB C[C@@]12CC3CC(NCc4ccc(-c5ccccc5)cc4)(C1)C[C@](C)(C3)C2 8534533 CFBSWWGXTKFDHQ-CDRNTZKQSA-N 345.530 6.192 0 40 EKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccs1)CC(O)=N2 9530625 ZILSVZJXECUIGE-CYBMUJFWSA-N 343.839 5.019 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 10111745 ZETGQGVACAOALV-LULHVWEPSA-N 341.882 5.528 0 40 EKAB Cc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c(Cl)c1 14258026 IYFIDRPUWMUYJP-UHFFFAOYSA-N 330.840 5.127 0 40 EKAB Clc1ccc(COc2ccc3ccccc3c2CNC2CC2)cc1 16525838 WNJCVKRSJYRPNK-UHFFFAOYSA-N 337.850 5.324 0 40 EKAB CC(C)CCOc1ccc(CNc2cccc(OC(C)C)c2)cc1 19737507 VNGVMPYHEOHFER-UHFFFAOYSA-N 327.468 5.511 0 40 EKAB Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1 33312204 YTMWVCZMDZBLAY-UHFFFAOYSA-N 343.839 5.101 0 40 EKAB Cc1cc(NC2CCCC2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216722 RCQNWMCQGZUQRR-UHFFFAOYSA-N 340.858 5.021 0 40 EKAB Cc1cc(C)c2nc(Nc3nc4cc(C(C)C)ccc4o3)sc2c1 57352880 VSVOQJIWLMMLOE-UHFFFAOYSA-N 337.448 5.921 0 40 EKAB O=C(NC1CCCCC1)c1ccc(-c2nc3ccccc3s2)cc1 59842890 LIDRIHFJVFFNMH-UHFFFAOYSA-N 336.460 5.026 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CC[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366351 QMOPYIPYDKCJRB-ZMJBZLFPSA-N 330.512 5.049 0 40 EKAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 225038113 QEXAJZCGYURHPG-ZDUSSCGKSA-N 345.870 5.137 0 40 EKAB Cc1cc(Cl)ccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225074214 MIXYQDGAAVHYHX-SFHVURJKSA-N 346.854 5.021 0 40 EKAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1(c2ccccc2)CCCC1 225807703 XBLXPSJYBPDDLZ-LJQANCHMSA-N 349.518 5.371 0 40 EKAB Clc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1Cl 226247761 CHYVTYCKDOSQTP-UHFFFAOYSA-N 329.186 5.592 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OCC 334138326 SSQPWTVBQMWLSZ-ZWBUPRDFSA-N 330.512 6.471 0 40 EKAB CCSc1ccccc1C(=O)Nc1c(Cl)cccc1Cl 408679001 HMRTXVLCJVSOTR-UHFFFAOYSA-N 326.248 5.358 0 40 EKAB CC[C@H](C)n1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 1470638 GUEQJUBCAPAIPT-LBPRGKRZSA-N 349.261 5.893 0 40 EKAB CCCCN(CCCC)C(=O)c1c(-c2ccccc2Cl)noc1C 2259499 OHUJTXDWAFORAZ-UHFFFAOYSA-N 348.874 5.346 0 40 EKAB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(Cl)cc34)oc12 2354347 YELFDRLRNLUVMS-UHFFFAOYSA-N 340.762 5.177 0 40 EKAB biogenic COc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 3094938 RSHMLORPKHFOAZ-OAQYLSRUSA-N 331.415 5.121 0 40 EKAB O=C(NCCCSc1ccccc1)c1ccc(-c2ccccc2)cc1 3338478 HYVNQVQTZDEZFL-UHFFFAOYSA-N 347.483 5.266 0 40 EKAB Cc1nc(Nc2cc3c(cc2O)CCCC3)c2oc3ccccc3c2n1 5176945 LLXKCOFBLXEDJT-UHFFFAOYSA-N 345.402 5.012 0 40 EKAB O=C(CSc1ccccc1F)c1ccc2c(c1)-c1ccccc1C2 6640215 PISGKUJVRCNZME-UHFFFAOYSA-N 334.415 5.372 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1Cl 7995998 DTVCUJGSBRTHPP-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB Cc1occc1-c1nnc(SCCC23CC4CC(CC(C4)C2)C3)o1 21328666 XUEJZIWSOLYUET-UHFFFAOYSA-N 344.480 5.337 0 40 EKAB CSc1cccc(NC(=S)Nc2cccc3c2CCCC3)c1 71761275 MLBZGKJJHFYEJL-UHFFFAOYSA-N 328.506 5.096 0 40 EKAB Cc1ccc(Cl)c2c1[C@@H]1c3ccccc3[C@H]2c2cccc(Cl)c21 71782774 OSXQVWISCSVXAF-ICSRJNTNSA-N 337.249 6.289 0 40 EKAB Cc1cc(Nc2cccc(C(=O)O)c2)c2cc(Cl)cc(Cl)c2n1 78401701 DQVGDEPBBXQQFD-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102323613 XFLBGYFVIHCDBA-ROWPZFDLSA-N 335.447 5.033 0 40 EKAB CCSc1ccccc1C(=O)NCCCc1ccc(C(C)C)cc1 219652580 XUUQLSGTDAEPNW-UHFFFAOYSA-N 341.520 5.285 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(C)ccc2Cl)c1 228951300 FCBKFYAJNWJZGT-UHFFFAOYSA-N 332.831 5.425 0 40 EKAB Cc1c(-c2ccccc2)c(=O)oc2c(Cl)cc(Br)cc12 57773 AYRHRJBZVBWWEX-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB Cc1ccccc1-c1nc2cc(NC(=O)c3cccc(F)c3)ccc2o1 105905 WVGBWBVIFIYPKP-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB O=C(c1ccc(Cl)cc1)[C@@H](CN1CCCCCC1)c1ccccc1 495065 RUULYUYZHVPRFZ-FQEVSTJZSA-N 341.882 5.183 0 40 EKAB CCSc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 530120 IZCHBVFPMUEUIU-DHZHZOJOSA-N 340.473 5.060 0 40 EKAB c1ccc(-c2nc(Oc3cccc4cccnc34)c3ccccc3n2)cc1 1094856 LMEAEYCISDDSSA-UHFFFAOYSA-N 349.393 5.637 0 40 EKAB O=C(Nc1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1 1099223 PYTPLVTYBISOCU-UHFFFAOYSA-N 344.439 5.067 0 40 EKAB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1ccccc1 1463135 OBNCXZIUMMLFJY-QFIPXVFZSA-N 339.394 5.181 0 40 EKAB biogenic C1=CC2(Oc3ccc4ccccc4c31)c1ccccc1Nc1ccccc12 1856250 RPLJXUCSJWYZFG-UHFFFAOYSA-N 347.417 6.246 0 40 EKAB O=C(CSc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1 3243569 XGPNEHQGFGJMMD-UHFFFAOYSA-N 344.907 6.363 0 40 EKAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccccc1Cl 4880390 ZVSMDRQWWHICGB-SNVBAGLBSA-N 333.819 5.118 0 40 EKAB CCOc1ccc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)c1 5354136 JIZWYTXWQAMJCN-UHFFFAOYSA-N 349.308 5.132 0 40 EKAB biogenic Cc1cccc(-c2nc3ccccc3n2CCOc2ccccc2)c1 5545672 RCNIXAIQPHGDSK-UHFFFAOYSA-N 328.415 5.091 0 40 EKAB CSc1ccccc1C(=O)Nc1c(C(C)C)cccc1C(C)C 6785724 IGUORKFXZNURRR-UHFFFAOYSA-N 327.493 5.908 0 40 EKAB CCc1ccc(NC(=O)N[C@H](CC)c2ccc([C@@H](C)CC)cc2)cc1 13321300 MELAFEGQZNNACL-HRAATJIYSA-N 338.495 6.035 0 40 EKAB Cc1cc2occ(CC(=O)Nc3cc(Cl)ccc3C)c2cc1C 15317470 LJKJLANZFMOGJV-UHFFFAOYSA-N 327.811 5.193 0 40 EKAB Cc1cccc(Nc2ncccc2C(=O)Nc2ccccc2Cl)c1 22072397 NXKHUDSBDNPKDB-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB Cc1ccc(C)c(Cn2c(/C=C/c3ccco3)nc3ccccc32)c1 35167678 RXPVXBXLUTWEAT-VAWYXSNFSA-N 328.415 5.465 0 40 EKAB O=C(Nc1cnc2ccccc2c1)c1sccc1-c1ccc(F)cc1 58006236 AXBZASJXCMJFDP-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1C 225758647 MRXOTNMDNVBOHM-IBGZPJMESA-N 342.508 5.220 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCC(=O)O 256088337 MBMBGCFOFBJSGT-JHMRGWINSA-N 328.496 6.549 0 40 EKAB in-vitro CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)OC 299888290 DHUPCTVGLDZJCY-BVAJSAAQSA-N 334.500 5.516 0 40 EKAB CC(C)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 360171 HCZUXXMMMLDCPC-UHFFFAOYSA-N 330.840 5.211 0 40 EKAB O=C(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12 573692 BHAQFIANQJHKGU-UHFFFAOYSA-N 329.374 5.060 0 40 EKAB O=C(COc1cccc(Cl)c1Cl)c1ccc2ccccc2c1 2640499 PMYMAPRRXFGECC-UHFFFAOYSA-N 331.198 5.408 0 40 EKAB CCN(CC)C1=NC=CC(c2ccccc2)=C[C@@H]1Sc1ccccc1 4114367 GLJMCFOFKIFDDN-NRFANRHFSA-N 348.515 5.499 0 40 EKAB O=C1CCCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 4413843 BMEMCWCNDLIZKD-SFHVURJKSA-N 349.455 5.612 0 40 EKAB C[C@@H]1CC(C)(C)Nc2ccc(OCc3cccc4ccccc34)cc21 4608229 AWHHDBMYENAHPM-MRXNPFEDSA-N 331.459 6.117 0 40 EKAB Cc1cc(C(C)(C)C)c(OC(=O)c2ccccc2C)c(C(C)(C)C)c1 4666854 ABIMPVHBBQZTTH-UHFFFAOYSA-N 338.491 6.118 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)Nc1c[nH]c2ccccc12 5299962 BZGSTQUKOWRGDO-UHFFFAOYSA-N 327.387 5.479 0 40 EKAB CC(C)CC[C@@H](CCNC1CCC(C)CC1)[C@@H]1CCOC(C)(C)C1 5323779 CXPICRZSLAMVRH-RKDVLTNBSA-N 337.592 5.802 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(C)C)cc2)c1 5542784 VVKFCHXDKDOVCQ-UHFFFAOYSA-N 325.452 5.259 0 40 EKAB Cc1ccnc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 5932140 OMRLFSMDJCRTNF-UHFFFAOYSA-N 346.821 5.397 0 40 EKAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccccc1)c1ccccc1 6264577 PYXSHVUFCZVLDB-ACXJOVJBSA-N 335.491 5.560 0 40 EKAB CCCCCc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 11691920 AEKFYXZEXALBOR-UHFFFAOYSA-N 346.426 6.247 0 40 EKAB Cc1cccc([C@@H]2CC(c3cccs3)=NN2c2nc(C)cs2)c1 13624076 GNVPFZITLQAOFV-INIZCTEOSA-N 339.489 5.177 0 40 EKAB C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 13774744 USCLEOPPYYAJSD-CYBMUJFWSA-N 330.472 5.171 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1Cl 13789832 ZJIGYKBAXZDNEZ-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1ccccc1OCc1ccccc1 14035464 FHLAKJAGUDEPNE-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)s2)cc1 15517538 RYDVSINWJGHZJG-JLHYYAGUSA-N 329.852 5.489 0 40 EKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 20043795 NTHHAJBRNLWFHI-UHFFFAOYSA-N 347.414 5.060 0 40 EKAB Cc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1Cl 67321759 MEQAQJRNHHHYDM-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB C[C@H]1C[C@@H]2CCc3ccc4ccccc4c3[C@@H]2c2c1ccc1ccccc21 71785196 QGYAOHODJSDTPT-WOILTVAASA-N 348.489 7.195 0 40 EKAB CCCCCCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100970363 DDHPIIJLIXBOKQ-WSUXWNOTSA-N 339.523 5.221 0 40 EKAB Clc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(Cl)c1 216915804 JJHZWEPUGNZVPL-UHFFFAOYSA-N 332.017 5.844 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(Cl)c1C 2617453 RARVTYSQPXPVMU-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB CCCC(=O)c1cc2c3c(ccc(OC)c3c1)C(=O)c1ccccc1-2 4314832 MFEFCCUGUBTQFQ-UHFFFAOYSA-N 330.383 5.043 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2Cl)N3)C1 4545385 MHJDMAARMBFEJA-MGPLVRAMSA-N 346.883 5.345 0 40 EKAB COc1ccc(OC)c([C@H]2O[C@H]3CCCC[C@@H]3c3sc(C)cc32)c1 4770138 HOBBDLHPRHUDAZ-ZOCIIQOWSA-N 344.476 5.220 0 40 EKAB S=c1sc2c(s1)S[C@@H]1[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C[C@H]1S2 4838499 YJEUJNZJEIHEBL-LIKBTPFBSA-N 328.574 5.316 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(F)cc1Cl 6495963 MVDJUAAQQMLTES-UHFFFAOYSA-N 339.797 5.322 0 40 EKAB CC(=O)Nc1ccc(SCc2csc(-c3ccccc3)n2)cc1 6919781 IOAGIMLOMKNJJT-UHFFFAOYSA-N 340.473 5.061 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4ccccc4c3)o2)cc1C 8319648 GADZJMSELYOWRE-UHFFFAOYSA-N 341.410 5.969 0 40 EKAB C[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cccs1 12818659 ZSOMOEKTYXTRSN-CYBMUJFWSA-N 348.427 5.047 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Cl 13708344 DOIBICLTUILMOL-CQSZACIVSA-N 339.822 5.208 0 40 EKAB Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 17068715 NYWRTHORNIMPDC-UHFFFAOYSA-N 333.769 5.104 0 40 EKAB CCc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1 28287770 CVLFYHVRGUUEGT-UHFFFAOYSA-N 339.435 5.297 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2ccccc2O)nc2sccn12 35622681 OYPDSMFEQPAYQM-UHFFFAOYSA-N 349.459 5.383 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1C 51354184 VEFODXYFAJTGQQ-UHFFFAOYSA-N 333.229 5.018 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 59351499 LXEFQHKDMFSZJQ-ROUUACIJSA-N 347.458 5.101 0 40 EKAB Cc1ccc(-c2nnc([C@H](C)Oc3cccc(Cl)c3Cl)o2)cc1 72276962 AGIRFUSDJDLIGT-NSHDSACASA-N 349.217 5.492 0 40 EKAB O=C(Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 72283182 NRBQAYQSPRDLRF-UHFFFAOYSA-N 332.243 5.150 0 40 EKAB Brc1ccc(Cc2nc3c(ccc4ccccc43)o2)cc1 73638802 QSYQRKSQOFSMHA-UHFFFAOYSA-N 338.204 5.334 0 40 EKAB Brc1ccc2sc(SCc3ccccc3)nc2c1 206583262 IUPXKMXWEMMSQT-UHFFFAOYSA-N 336.279 5.351 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C)c1 225704489 BTYPFLPJADIGDS-OAQYLSRUSA-N 349.515 5.488 0 40 EKAB Cc1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225805963 DGMBVKCHOSVCDG-UHFFFAOYSA-N 326.509 5.038 0 40 EKAB CCCC[C@H](CC)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361124 RGFXPJQZEROROB-JTQLQIEISA-N 340.307 6.123 0 40 EKAB CC(C)Cc1nc(C(C)C)c(-c2cccc(Cl)c2)cc1C(=O)O 585265620 VFUBXBNBCKDIDQ-UHFFFAOYSA-N 331.843 5.422 0 40 EKAB COc1cc(C2(C)CCCCC2)c(OC)cc1C1(C)CCCCC1 1680366 SSVWBPXUZPJZEL-UHFFFAOYSA-N 330.512 6.147 0 40 EKAB CC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc(Cl)cc1 2371180 HWMOIDSUNSVYSQ-GOSISDBHSA-N 333.859 5.111 0 40 EKAB CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc(C)cc1 5033016 IQOHLRRQESQISO-GOSISDBHSA-N 333.368 5.372 0 40 EKAB CC(C)CC[C@@H](CCNCc1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 5245459 GZOWTYROHMHWNF-PMACEKPBSA-N 349.534 5.563 0 40 EKAB Fc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 5545448 KUMCHSOAHSHWQH-NTCAYCPXSA-N 328.390 5.394 0 40 EKAB COc1ccc(Cl)cc1NC(=O)CCc1ccc(C(C)C)cc1 10330207 JUJFMDQGFOUBEU-UHFFFAOYSA-N 331.843 5.043 0 40 EKAB CCc1ccc(Cc2cnc(NC(=O)CCC3CCCC3)s2)cc1 11690097 IFEWQNYYFUVYMI-UHFFFAOYSA-N 342.508 5.205 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1Cl 13709085 RMOACDZPTFVXMS-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB c1ccc(Cc2cccc3nc(-c4cccc5ccccc45)oc23)cc1 57352802 FPHQCENKZKYTBU-UHFFFAOYSA-N 335.406 6.239 0 40 EKAB Cc1cccc(CSCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 222735182 WGUPGVYNSVLAJU-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 222906027 UEPQFFWNMKBMCS-GOSISDBHSA-N 345.870 5.434 0 40 EKAB O[C@@H](c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1Cl 226296785 SZMLNTRXOCPKTL-FQEVSTJZSA-N 341.237 5.646 0 40 EKAB Cc1cccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)c1 409114941 FIDQDTWBSNWDEV-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3S[C@H]2c2ccccc2)C1 409337151 YEEUOUBZGDGPFR-PMACEKPBSA-N 335.472 5.611 0 40 EKAB C[C@@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2049238340 IECWTSWUVZMVIW-YLSIGKLCSA-N 344.583 6.220 0 40 EKAB CC[C@@H](C)n1c(-c2ccccc2Cl)nc2nc3ccccc3nc21 545549 HTLLHLCXSGSPDG-GFCCVEGCSA-N 336.826 5.271 0 40 EKAB CCN(CC)C1=Nc2ccccc2N(c2ccccc2)C(SC)=C1 1582804 BKYBINYSIWWYGU-UHFFFAOYSA-N 337.492 5.415 0 40 EKAB CCCO[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 3849674 FZEADSGDYUIZQS-BZDFKLGJSA-N 332.528 5.105 0 40 EKAB CCCCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 4115435 QPHGAYNLKMAUOD-UHFFFAOYSA-N 343.430 5.512 0 40 EKAB Clc1cccc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)c1 4627763 BUABAUHIHBMGQL-SFHVURJKSA-N 338.863 5.757 0 40 EKAB CC(C)c1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 12528968 AHJHSAOETQOIBX-LFIBNONCSA-N 337.444 5.435 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 13057278 ZESXHOZFCAEOFE-GFCCVEGCSA-N 335.806 5.010 0 40 EKAB CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1 20489465 IMHZCWJJJDTZDM-KRWDZBQOSA-N 333.884 5.008 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 30866378 JCYOVFLFKGDMEL-RTBURBONSA-N 345.870 5.073 0 40 EKAB C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(Cl)c2cccnc12 44015159 NLZGVLNYRYSRJT-LLVKDONJSA-N 345.855 5.175 0 40 EKAB CC(=O)c1cccc(Nc2nc(-c3cccc(Cl)c3)cs2)c1 67321883 MFEZZTBVIOJFSD-UHFFFAOYSA-N 328.824 5.410 0 40 EKAB Brc1cccc(-c2csc(Nc3ccccc3)n2)c1 67321921 BRCUCLQLJODUCG-UHFFFAOYSA-N 331.238 5.316 0 40 EKAB C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 72312285 QRMQVLLKWRLZOC-LBPRGKRZSA-N 346.261 5.234 0 40 EKAB O=C(Nc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344212 YJHGMJOOVKXBTQ-LSDHHAIUSA-N 340.637 5.389 0 40 EKAB Cc1cccc(CN2C(=O)[C@@H]3CCCC3=Nc3cc(C)c(C)cc32)c1 102302234 RFVAPQHETSCDDW-GOSISDBHSA-N 332.447 5.031 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3ccc(Br)cc3)nc2c1 199744747 MHBHYNWVJGMMQG-UHFFFAOYSA-N 344.252 5.479 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225746412 AWZXNHWXONKKHZ-OAQYLSRUSA-N 349.515 5.344 0 40 EKAB Cc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1C 225842963 SJTJTMMQKRWLJX-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB Cc1ccccc1NC(=O)c1ccc(CSCc2ccccc2)cc1 408780807 LDONTUMVBVAICF-UHFFFAOYSA-N 347.483 5.681 0 40 EKAB Cn1c(Sc2cccc(C(F)(F)F)c2)c(C=O)c2ccccc21 168711 MQLWZRFIOJNWPO-UHFFFAOYSA-N 335.350 5.161 0 40 EKAB Cc1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 509546 UFHDMHZDDUDZKO-UHFFFAOYSA-N 342.427 5.006 0 40 EKAB CCC(CC)c1nc(Nc2ccc(C)c(Cl)c2)c2ccccc2n1 1769211 AIEQQFUQUBEGIE-UHFFFAOYSA-N 339.870 6.239 0 40 EKAB biogenic,in-vitro Clc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 2557643 ANIMHEGKUNKTSA-UHFFFAOYSA-N 341.841 6.736 0 40 EKAB Cc1ccc(Sc2nc3ccccc3cc2-c2ccc(C)cc2)cc1 3049425 HZJIIKJUGCXXNA-UHFFFAOYSA-N 341.479 6.670 0 40 EKAB O=C(/C=C/c1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1 3231497 GPICBAFYDRRNHW-CCEZHUSRSA-N 345.417 5.068 0 40 EKAB Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4256396 WTPHVBRBJJLSKL-RBBKRZOGSA-N 344.389 5.068 0 40 EKAB C[C@@H](Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 6085855 SKFDHIXQMZIHAJ-OAHLLOKOSA-N 330.456 6.136 0 40 EKAB O=C(Nc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 8007172 GRUKZWDBAJUACJ-UHFFFAOYSA-N 340.382 5.261 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1Cl 10325077 GGOHTUSKEDWKMJ-UHFFFAOYSA-N 329.871 5.517 0 40 EKAB CC[C@H](C)N(C(=O)c1sc2cc(C)ccc2c1Cl)[C@H](C)CC 17070962 GXVRCFIRUGODRY-BETUJISGSA-N 337.916 5.902 0 40 EKAB Cc1cc2occ(CC(=O)Nc3ccccc3F)c2c(C)c1Cl 39892899 WPMWQROLDJXQHD-UHFFFAOYSA-N 331.774 5.023 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 80345026 GRDONPYYNWNOEV-HOTGVXAUSA-N 334.246 5.352 0 40 EKAB CCCCC[C@H]1CC[C@H]([C@H]2CC[C@](C#N)(CCCCC)CC2)CC1 100973871 HFBISKRSUBYSCV-FGPOLRCOSA-N 331.588 7.654 0 40 EKAB C(=C\c1ccccc1)\C(/C=C/c1ccccc1)=C\C=C\c1ccccc1 104145864 CISGQXZKFFPEDO-YFNDBVLBSA-N 334.462 7.053 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 225149160 XAXTZQKBERFTMX-UHFFFAOYSA-N 343.426 5.774 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1C 225713816 SXXNGGMRVZEIIU-KRWDZBQOSA-N 332.900 5.395 0 40 EKAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c2ccccc12 225822827 MGWFMAVVIQRWPI-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB CCc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 251983963 GSHYKUCPTGRELW-BXLRBYEISA-N 347.458 5.244 0 40 EKAB CC(=O)O[C@@H]1CC/C(C)=C\CC/C(C)=C/C[C@@]2(C(C)C)CC[C@@]1(C)O2 299817547 HVBACKJYWZTKCA-VSPJOBMXSA-N 348.527 5.739 0 40 EKAB biogenic,in-vitro COc1ccc(C)cc1NC(=O)c1cc2c(ccc3ccccc32)o1 408616568 ANRZSPVFFITFNT-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB Cc1cc2sc(NC(=O)c3ccccc3Cl)nc2cc1Cl 569622 SEBBLVNHROREER-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CC(C)Oc1ccc([C@H](CCN[C@H](C)c2ccccc2)C(C)C)cc1 1825114 JUPPCYFYDOVKAA-AUSIDOKSSA-N 339.523 5.954 0 40 EKAB Cc1ccc(C)c(NC(=O)COc2ccc(Nc3ccccc3)cc2)c1 2632177 YZSUIBROYSENPP-UHFFFAOYSA-N 346.430 5.065 0 40 EKAB Cc1ccccc1-c1nnc(SCc2cccc3ccccc23)n1C 2726659 RLSGMCQRQRITTO-UHFFFAOYSA-N 345.471 5.236 0 40 EKAB CSc1nc(Cl)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 5206020 VFYJNKRJDWHKOR-UHFFFAOYSA-N 349.912 5.227 0 40 EKAB Cc1ccc(C)c(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1 6510240 SKFYTPFPRAZBKB-UHFFFAOYSA-N 335.447 5.663 0 40 EKAB CC[C@@H](NC(=O)c1cc(C)c(C)s1)C12CC3CC(CC(C3)C1)C2 6555371 MIKOGMRCXJZXOF-ZVQXUQNISA-N 331.525 5.090 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 6654176 JYBIXHXGHNTTOF-AWEZNQCLSA-N 347.911 5.802 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc4ccccc34)o2)cc1C 6846299 DCHFJBRFGSDJBG-UHFFFAOYSA-N 341.410 5.969 0 40 EKAB O=C(Nc1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 6938520 WYAJLNYBZDPJMG-UHFFFAOYSA-N 349.139 5.656 0 40 EKAB CCCCCCNCc1ccccc1OCc1ccccc1Cl 7261089 NRGIOXKMHQQSAJ-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB CCOc1cc(CN[C@@H](C)CC)ccc1OCc1ccc(Cl)cc1 8326730 KMPQKPSYQYNBIQ-HNNXBMFYSA-N 347.886 5.206 0 40 EKAB Clc1ccc(-c2n[nH]c(SCc3cccc(Cl)c3)n2)cc1 20763678 WQNTYXLECYTCJY-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB Cc1cc2nc(-c3ccc(Br)c(Cl)c3)oc2cc1C 57351602 QUMHVHMJJMCHLF-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB CCCCc1ccc2nc(C)cc(Nc3ccc(C(=O)O)cc3)c2c1 78401748 WWSRLYWOCGFOEO-UHFFFAOYSA-N 334.419 5.328 0 40 EKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1Cl 225351136 CSPPFXDABXWKME-UHFFFAOYSA-N 331.843 5.423 0 40 EKAB Cc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3cccs3)nc2n1 428784 ZDBUVORKCYUMDZ-UHFFFAOYSA-N 348.475 5.435 0 40 EKAB Cc1ccc(-c2c(O)c3cc(C)c(C)cc3c3oc(=O)sc23)cc1 544990 MPNPFCWXIJGWDG-UHFFFAOYSA-N 336.412 5.306 0 40 EKAB Cc1cccc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)c1C 1448673 WUCWZXHLCYKLFF-QHCPKHFHSA-N 341.458 5.690 0 40 EKAB CCCCCC[C@@H](C)NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 3199933 NYDGMYIWNLIFPB-QJPKHSJYSA-N 343.442 5.574 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC 4529314 VCDLWFYODNTQOT-DMGWNJAXSA-N 342.523 6.637 0 40 EKAB Cc1cc(C)cc(-c2nnc(S[C@H](C)c3ccc(F)cc3)o2)c1 5219579 XWQQLDOGVQYQQH-CYBMUJFWSA-N 328.412 5.346 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1 6152112 AIHLCNLZLNRRBJ-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1ccc(NC(=O)Cc2coc3ccc(C(C)C)cc23)cc1Cl 6809872 MNEDLYCZFZBYAF-UHFFFAOYSA-N 341.838 5.699 0 40 EKAB O=C(NCc1cccs1)N1c2ccccc2Sc2ccccc21 13574550 HGUUATMSRGJSPY-UHFFFAOYSA-N 338.457 5.261 0 40 EKAB c1ccc(C2=NN3[C@H](C4CCCCC4)Oc4ccccc4[C@H]3C2)cc1 13616328 ULKNDEUATRAGMY-IRLDBZIGSA-N 332.447 5.137 0 40 EKAB CCC(=O)Nc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 13843298 AJBJCCRFERCWAP-UHFFFAOYSA-N 349.434 5.050 0 40 EKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13993640 HUWRRFYPQAKYJL-QGZVFWFLSA-N 347.414 5.193 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c(C)c1 15651989 UMAPUTAZIDHTRJ-ZDUSSCGKSA-N 342.489 5.032 0 40 EKAB c1ccc(-c2ccc3oc(Nc4nc5ccccc5s4)nc3c2)cc1 57352516 DAYLTTNQVOILSQ-UHFFFAOYSA-N 343.411 5.848 0 40 EKAB c1ccc([C@@H]2CC(c3ccc4c(c3)CCC4)=NN2c2ccccc2)cc1 71408875 UMXYRPXVEQXGNX-DEOSSOPVSA-N 338.454 5.531 0 40 EKAB c1ccc(-c2c[nH]c(SCc3cc(-c4ccccc4)on3)n2)cc1 84560106 RYXXRGNJKDNIHM-UHFFFAOYSA-N 333.416 5.024 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccccc1 222904221 QSGJIRRGJWAQLF-OXQOHEQNSA-N 339.479 5.019 0 40 EKAB O=C(Cc1cccc(Cl)c1)Nc1ccc2c(c1)oc1ccccc12 225148687 PRWNKGJUUBQHBG-UHFFFAOYSA-N 335.790 5.421 0 40 EKAB CCC(CC)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 484018 QGLGQUWFFPMXQU-UHFFFAOYSA-N 330.497 5.482 0 40 EKAB Cc1nc2c3cc(Cl)ccc3n(Cc3ccc(F)cc3)c2s1 2227957 RMQRIVFRSLUQRF-UHFFFAOYSA-N 330.815 5.400 0 40 EKAB Cc1ccc([C@@]2(CCNCc3ccccc3)CCOC(C)(C)C2)cc1 2286856 DEDQQMCCFPHYCV-QHCPKHFHSA-N 337.507 5.002 0 40 EKAB CC(C)[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccccc1 2340504 YMZHXYMUXUDIGT-YADHBBJMSA-N 335.491 5.474 0 40 EKAB CC[C@H](C)c1ccc([C@H](C)NC(=O)c2csc3ccccc23)cc1 2769908 HVNXVFUJXUBMNF-GJZGRUSLSA-N 337.488 5.906 0 40 EKAB CSc1ccc(Cl)c(C(=O)Oc2cccc(Cl)c2Cl)c1 3320619 OMCQVDGEHRFJBC-UHFFFAOYSA-N 347.650 5.588 0 40 EKAB CCCCC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 4011381 YIBLLNKVEAJJCJ-BXXSPATCSA-N 337.507 5.362 0 40 EKAB Cc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 4317680 AMMRJYGIXRHCHI-UHFFFAOYSA-N 328.415 5.091 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3cc(C)ccn23)cc1 4735062 SEDNWQXYGLGRIN-UHFFFAOYSA-N 327.431 5.670 0 40 EKAB CCCC(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 6709683 IODMDVIJYNNQHW-UHFFFAOYSA-N 346.257 5.979 0 40 EKAB CCOc1cc(C(=O)Nc2ccc([C@H](C)CC)cc2)cc(Cl)c1O 7777176 RNWKSKPRFYDVPS-GFCCVEGCSA-N 347.842 5.210 0 40 EKAB CN(C(=S)Nc1ccc(Oc2ccccc2)cc1)C1CCCCC1 8773144 HAWMIBLMDHZFKN-UHFFFAOYSA-N 340.492 5.440 0 40 EKAB Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)oc2ccccc12 9987089 SDWDFQRYJCAJMD-UHFFFAOYSA-N 349.386 5.035 0 40 EKAB Fc1ccc(Cl)cc1Nc1nc(C(F)(F)F)nc2ccccc12 14077714 AKSDVXVJPYJCIJ-UHFFFAOYSA-N 341.695 5.185 0 40 EKAB CCSc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 20042231 XRYFFXDFOQLXSX-UHFFFAOYSA-N 341.520 5.667 0 40 EKAB Cc1ccc(/C=C2\Sc3ccccc3N=C2c2ccccc2)cc1 21005825 PMKFOPMDDJCFJD-QNGOZBTKSA-N 327.452 6.263 0 40 EKAB CSc1ccc(NC(=O)c2[nH]c3ccc(C)cc3c2Cl)cc1 40088506 HWNSEFLDKGVXKW-UHFFFAOYSA-N 330.840 5.104 0 40 EKAB CC(C)Oc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 75289799 CKJCMXLNDKGWDA-UHFFFAOYSA-N 347.414 5.518 0 40 EKAB COc1ccc([C@H](C)Nc2nc(-c3ccccc3)cs2)cc1F 78254026 OBUJWQPJPAAWFS-LBPRGKRZSA-N 328.412 5.131 0 40 EKAB C[C@@H](c1ncc(-c2ccccc2)o1)[S@](=O)[C@H](C)c1ccc(F)cc1 89904793 NMSWAUCAHJXYNP-CDEUHXGRSA-N 343.423 5.052 0 40 EKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)Nc2ccc(Cl)c(Cl)c2)C1 100984449 CHXDLETYBZZONP-PXAZEXFGSA-N 341.282 5.426 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C(C)C)cc1 113970004 AUBGDGWEHJXPDN-IBGZPJMESA-N 325.452 5.223 0 40 EKAB CC(C)c1ccccc1O[C@@H](Cc1cccc2ccccc12)C(=O)O 225048706 SBBXULUQZZQOFX-NRFANRHFSA-N 334.415 5.038 0 40 EKAB COc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 325020739 FSAABOSUNDHFJX-UHFFFAOYSA-N 339.822 5.753 0 40 EKAB O=C(c1ccc(OCc2ccccc2)cc1)[C@H](Cl)c1ccccc1 384073308 RGMCDHZTBBUHFY-HXUWFJFHSA-N 336.818 5.428 0 40 EKAB CCCC[C@@H](CC)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361125 RGFXPJQZEROROB-SNVBAGLBSA-N 340.307 6.123 0 40 EKAB O=C(Nc1cccc2ccccc12)c1ccc(C2CCCCC2)cc1 3101253 BWSSFRIWHPCSIA-UHFFFAOYSA-N 329.443 6.140 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C 3881435 QKSODSWUZYYQJJ-ILJCAHODSA-N 332.572 6.961 0 40 EKAB CCCCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 7261641 BKOHFMQDADAWMS-UHFFFAOYSA-N 347.886 5.207 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 8498967 JYTWGQWTSCCITE-QGZVFWFLSA-N 325.452 5.052 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1Cl 14022745 XUMFUKWNPBHGDU-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB CCc1cccc(CC)c1NC(=O)Cc1ccc(-c2ccccc2)cc1 15960930 NCVIZYPPPMDLAO-UHFFFAOYSA-N 343.470 5.660 0 40 EKAB Cc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1-c1ccc(CO)o1 20137648 BACZRCQLOMXHGQ-UHFFFAOYSA-N 349.430 5.123 0 40 EKAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)c1 20492490 CPZJXEYUWDHITF-OAQYLSRUSA-N 349.430 5.035 0 40 EKAB COc1cc2c(cc1NC(=O)/C=C\c1cccs1)oc1ccccc12 33472606 LGPNXRCEELCBCV-HJWRWDBZSA-N 349.411 5.308 0 40 EKAB COc1ccc2cc(C(=O)c3c(Cl)cccc3Cl)ccc2c1 95917116 ZLNLWWQNMCHFAU-UHFFFAOYSA-N 331.198 5.386 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](C5CCCC5)CC[C@]34C)[C@@H]1CC[C@@H]2O 118929766 RBCMLWGBXWRMNN-HIOAPMMISA-N 344.583 6.196 0 40 EKAB CC[C@H](NC(=O)CCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223064417 DKIGTGUXNRJDFZ-QFIPXVFZSA-N 335.491 5.074 0 40 EKAB CCCC[C@](C)(OC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225620905 YOOPGHAHZJAVQS-UZLBHIALSA-N 335.488 5.015 0 40 EKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225690668 HCIKYOFXGJRISX-UWJYYQICSA-N 349.515 5.261 0 40 EKAB CC[C@H](C)Cn1cc(C(=O)c2ccc3ccccc3c2)c2ccccc21 299817111 DAZJHNOTFUBQMK-KRWDZBQOSA-N 341.454 6.072 0 40 EKAB in-vitro O=C(Nc1ccc(Cl)cn1)c1cc2sc3ccccc3c2s1 521373 LBDQDRZRYIPATK-UHFFFAOYSA-N 344.848 5.417 0 40 EKAB C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)no1 579638 DTDKHJXRUOKPKY-SNVBAGLBSA-N 335.190 5.183 0 40 EKAB COc1ccc(-c2oc(=O)c3ccccc3c2-c2ccccc2)cc1 1712207 KGZMTUXULVNEII-UHFFFAOYSA-N 328.367 5.136 0 40 EKAB O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc2ccccc2c1 2050788 MIIWDYGSIFCBMF-UHFFFAOYSA-N 330.427 6.107 0 40 EKAB Cc1ccc(C)c(CSc2nnc(-c3cccc(Cl)c3)n2C)c1 2202877 XUIYLMMNKGWJCH-UHFFFAOYSA-N 343.883 5.045 0 40 EKAB Fc1ccc(-c2nnc(SCc3cccc4ccccc34)o2)cc1 4548450 XHGMUYUTSOCVIF-UHFFFAOYSA-N 336.391 5.321 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 7684529 NNSJHMQWJZVEDB-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB C[C@H](CNc1cc(Cl)c(Cl)cc1Cl)Oc1ccccc1 19737934 HKQLPYTYXBIHEU-SNVBAGLBSA-N 330.642 5.526 0 40 EKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 57313476 WBANWIJYFYBONP-VQHVLOKHSA-N 347.458 5.045 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 59351422 LAWDIUIHHFGTEN-GPZRYRNASA-N 335.491 5.492 0 40 EKAB Cc1sc2ncnc(NCCc3ccccc3)c2c1-c1ccccc1 96305893 GSEDYDVOJNEJSI-UHFFFAOYSA-N 345.471 5.321 0 40 EKAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1Cl 98073361 PNILMBXPFIJSIA-UHFFFAOYSA-N 335.834 5.419 0 40 EKAB Cc1s/c(=N/c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 100812558 DDVTXHVVPAVDGQ-GHVJWSGMSA-N 342.467 5.747 0 40 EKAB COC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 216848442 OIUVUTLODHCRGB-UHFFFAOYSA-N 345.609 5.012 0 40 EKAB S=c1sc2ccccc2n1Cn1c(=S)sc2ccccc21 365108 GLIYLYVPYNJUFH-UHFFFAOYSA-N 346.527 5.684 0 40 EKAB Cc1cc(C)cc(C(=O)c2c(-c3ccccc3)cc3ccccn23)c1 3185787 WKVZSRWEXAJICY-UHFFFAOYSA-N 325.411 5.454 0 40 EKAB COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 3898687 OOIFUPLLKIIQPT-UHFFFAOYSA-N 335.447 5.003 0 40 EKAB Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)s1 8042089 NIQCFMGHSJLONU-UHFFFAOYSA-N 340.473 5.196 0 40 EKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 8071784 JRUHIUIAIOSGJP-UHFFFAOYSA-N 345.870 5.434 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c(Cl)c1 12751859 CLXHNUCWJNVQCZ-UHFFFAOYSA-N 336.822 5.271 0 40 EKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 20454271 KULOPNYDSUSLFW-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB O=C(c1cc2cc(Cl)ccc2o1)N1CCCSc2ccccc21 28248639 QSSHHQHOHYMGJR-UHFFFAOYSA-N 343.835 5.229 0 40 EKAB Clc1ccc(OCc2cccc(Br)c2)c(Cl)c1 70136087 FQVYDPYIJQFEIC-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CC(C)(C)c1cc(NCc2cccc3cccnc23)n(C(C)(C)C)n1 78737276 OJEGCIRHKBBVDJ-UHFFFAOYSA-N 336.483 5.096 0 40 EKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Nc1ccc(Cl)cc1 222636484 GWIAECBNUVCNRV-INIZCTEOSA-N 344.842 5.072 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)cccc1C(C)C 222987214 FSGQZUUGQVUWAC-FQEVSTJZSA-N 339.479 5.531 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225701053 MNJRBYIOAQCQSA-FQEVSTJZSA-N 335.488 5.015 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3c(F)cccc3F)CCCC2)c1 225860102 DADBFMCHPMKNNJ-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB O=C(c1ccccc1)c1cn(Cc2ccccc2Cl)c2ccccc12 573691 VOKCHNUHYCXOEN-UHFFFAOYSA-N 345.829 5.574 0 40 EKAB Cc1ccc([C@@H](CC(=O)c2ccco2)SCc2ccco2)cc1 1463367 VWBHTUDMYLKLOB-LJQANCHMSA-N 326.417 5.429 0 40 EKAB Clc1cc(Cl)c(Cl)c(-c2c(Cl)cccc2Cl)c1 2566942 FJUVPPYNSDTRQV-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB Oc1ccccc1Oc1cnn(-c2ccccc2)c1-c1ccccc1 2700217 KMCSLURMXCLEKK-UHFFFAOYSA-N 328.371 5.037 0 40 EKAB CC(C)Cc1ccc(NC(=N)[C@H](C)c2ccc(CC(C)C)cc2)cc1 3999893 QNVUVIPUIFKGRG-GOSISDBHSA-N 336.523 6.276 0 40 EKAB biogenic CCCc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccccc1 4639087 RPWPQWBWTMWKIF-UHFFFAOYSA-N 338.432 5.204 0 40 EKAB Cc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1Cl 4886690 GWLUEAHMHTVQBM-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB Clc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1ccccc1 4898757 BNNUOKKJQGYWBV-OAQYLSRUSA-N 332.834 5.696 0 40 EKAB Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2N(C)c2ccccc21 5337871 SQGVHIJJNBVWNG-IBGZPJMESA-N 342.442 5.041 0 40 EKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 5541099 GQHKJCVIZDIFLB-CQSZACIVSA-N 339.822 5.208 0 40 EKAB Oc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1 5819262 JHSWPCJGAVHICZ-UHFFFAOYSA-N 346.817 5.770 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1 7669077 JEPIBWQYYMCFGR-INIZCTEOSA-N 325.452 5.339 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C(C)C)cc1 7995927 WJAYORVTYAVZEM-UHFFFAOYSA-N 336.460 5.494 0 40 EKAB CC(C)CC(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 14258066 NPJYUMWICWNOLD-UHFFFAOYSA-N 344.414 5.633 0 40 EKAB CC(C)C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 14625067 KIFNDZVHMIVXDO-UHFFFAOYSA-N 334.491 5.195 0 40 EKAB CCOC(=O)c1c(Cl)nc2ccc(C)cc2c1-c1ccccc1 23042565 AIQCLUUUYJQRTI-UHFFFAOYSA-N 325.795 5.040 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 30753949 ZUWUNPUYLBCMNM-OAQYLSRUSA-N 339.479 5.442 0 40 EKAB C[C@H](SCCCc1ccccc1)C(=O)Nc1ccccc1Cl 65591199 BFWACKMMIRULOW-AWEZNQCLSA-N 333.884 5.033 0 40 EKAB Cc1cc(C)cc(-c2nc3cc(C(C)C)cc(Br)c3o2)c1 73639738 POCXSIVWEPTROP-UHFFFAOYSA-N 344.252 5.998 0 40 EKAB COc1cc(C)c([C@@H](C)NC(=O)c2cc(C)ccc2C)cc1C(C)C 223379222 QLHSPBFYDKQBSQ-QGZVFWFLSA-N 339.479 5.235 0 40 EKAB Cc1ccc(C(=O)NC[C@H](C)Cc2cccc3ccccc23)c(C)c1 225057846 ZGRBZMXJFWMVCT-QGZVFWFLSA-N 331.459 5.065 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc2ccccc2c1 225367080 FSSAQBUGCFEVOW-UHFFFAOYSA-N 344.241 5.718 0 40 EKAB CCc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1 225492582 PZHSKBNOGVIQDS-IBGZPJMESA-N 326.509 5.323 0 40 EKAB Cc1cccc([C@H](NC(=S)Nc2ccccc2)c2ccccc2)c1 225697417 RAZHHQJKVWBHHW-HXUWFJFHSA-N 332.472 5.071 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)cc1 225702130 LVODLZZXRNQOSD-FQEVSTJZSA-N 335.488 5.180 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCCOC(C)=O 256929739 RKNFFTAYULCRTQ-NRAUZEMASA-N 332.528 6.695 0 40 EKAB CCOc1ccc(CNc2cccc(C)c2C)cc1Br 409121621 XDUSTRIPCLKVTF-UHFFFAOYSA-N 334.257 5.077 0 40 EKAB Brc1cncc(Oc2cccc(-c3ccccc3)c2)c1 575423904 SLFASFYTPWSQPZ-UHFFFAOYSA-N 326.193 5.303 0 40 EKAB Cc1ccc(CSc2nnc(-c3ccccc3)n2CC(C)C)cc1 479249 ZEXPMXSKPAVNQK-UHFFFAOYSA-N 337.492 5.202 0 40 EKAB CCCCN(CCCC)CCC(=O)c1ccc(OC)c2ccccc12 1628201 GRRZJWPPSMSQSF-UHFFFAOYSA-N 341.495 5.323 0 40 EKAB C[C@@H]1C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)CC(C)(C)C1 2190161 YQRPRRZAKWEPHV-YLJYHZDGSA-N 335.491 5.150 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2ccc(C)cc2)nc2cnccn12 3896548 QUMNAIGTGJTIKG-UHFFFAOYSA-N 342.446 5.319 0 40 EKAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/C=C/c1ccccc1 3999148 NPPOXVLGJKJUGA-KIYZSBGQSA-N 344.458 5.110 0 40 EKAB biogenic Cc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 5333375 KRMGEDUDSDEFAY-UHFFFAOYSA-N 339.439 5.020 0 40 EKAB Cc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1C 6035070 LELZKRUGJNHHIS-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 8382824 JRSSTMYBDHJCTB-ZIAGYGMSSA-N 331.843 5.260 0 40 EKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc2ccccc2c1 20489779 BFOVYCYYVYAKIZ-INIZCTEOSA-N 333.431 5.369 0 40 EKAB O=C(CSC1=Nc2ccccc2SC1)c1ccc(Cl)cc1 27525476 TYMZSCYCOXCWHB-UHFFFAOYSA-N 333.865 5.092 0 40 EKAB Cc1ccccc1-c1noc(-c2cc(-c3ccc(C(C)C)cc3)n[nH]2)n1 35504134 BUCDEHDSZWDFDN-UHFFFAOYSA-N 344.418 5.226 0 40 EKAB Cc1cc(N(C)C)ccc1NC(=O)c1oc2ccc(Cl)cc2c1C 40111688 OCSQFRPCZQFRTE-UHFFFAOYSA-N 342.826 5.021 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(C)c1 43568730 SXEIQYRZGVDGQC-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB Cc1cc(N)cc2sc(Nc3nc4cc(C(C)C)ccc4o3)nc12 57352670 YCZQGDADHAOUKF-UHFFFAOYSA-N 338.436 5.195 0 40 EKAB CCCCN1C(=O)C(C)=C(C)[C@H]1NC1CCCCCCCCCCC1 57381208 TUSOERHIONEPSB-NRFANRHFSA-N 348.575 5.554 0 40 EKAB Clc1cccc(Cl)c1OCc1ccc(Br)cc1 70135949 DVUZNIKXWLNXEA-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB Cc1cccc([C@H]2CCCN2C(=O)CCc2ccc3ccccc3c2)c1 84210697 HEKSAURXCFEZCY-HSZRJFAPSA-N 343.470 5.445 0 40 EKAB C[C@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F 97393493 GENIKSRZPUERKV-MNOVXSKESA-N 329.312 5.395 0 40 EKAB Cc1cc(C)c2c(c1C)O[C@H](c1coc3c(C)c(C)cc(C)c13)C2=O 100217074 WZWKYDQACJPZER-JOCHJYFZSA-N 334.415 5.600 0 40 EKAB Cc1ccc(COc2ccccc2CNc2ccc(C)c(C)c2)cc1 106974821 HVBXZQIKZSGQGB-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB CCCCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225378060 QJLDFGDOFADNEW-UHFFFAOYSA-N 344.549 5.456 0 40 EKAB CCCOc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C 225736377 VCJAUBTXKKCIQL-OAQYLSRUSA-N 349.515 5.262 0 40 EKAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c2ccccc12 225801035 CLMMQFUBNIECQA-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB CCCCN(CCCC)CC[C@H](O)c1ccc(OC)c2ccccc12 1621097 WYVNVBBCQZIRJQ-NRFANRHFSA-N 343.511 5.174 0 40 EKAB CSc1ccc(Cl)c(C(=O)OCc2c(F)cccc2Cl)c1 3342306 MBMKPXHMMQJPCU-UHFFFAOYSA-N 345.222 5.211 0 40 EKAB COc1ccc(-c2nnc(SCc3cccc4ccccc34)o2)cc1 3531948 WCXVLYVEKGSDRY-UHFFFAOYSA-N 348.427 5.191 0 40 EKAB CC(C)Cc1ccc([C@H](C)c2nnc(-c3ccccc3Cl)o2)cc1 4289194 BATXQXOZRUSTRJ-AWEZNQCLSA-N 340.854 5.740 0 40 EKAB CCSc1nc(-c2ccc(C)cc2)nc2c1Cc1cc(C)ccc1O2 4315811 CTOZAANFPRUUAX-UHFFFAOYSA-N 348.471 5.569 0 40 EKAB Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1 4649262 JVXSNQXZGSNLNB-UHFFFAOYSA-N 341.288 5.478 0 40 EKAB c1ccc(CSc2cc(-c3ccccc3)c3ccccc3n2)cc1 7782527 KXTBGQQMYQUFFA-UHFFFAOYSA-N 327.452 6.194 0 40 EKAB Cc1cccn2cc(COc3cc(Cl)c(Cl)cc3Cl)nc12 12585149 DSPVDGASYDAPCT-UHFFFAOYSA-N 341.625 5.182 0 40 EKAB Cc1cccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 13321288 MXEJQTOQYKUIDW-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB Cc1ccc(F)c(NC(=S)Nc2cccc(Cl)c2Cl)c1 13840266 YXZCMUDMNHTFDL-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C 30848846 JNNBQSROSVXZOG-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccccc1 44904367 XXTJRGRFOXQXJB-FXAWDEMLSA-N 341.520 5.212 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)CCSc1ccc(Cl)cc1 59291650 IBTLIZUEJJSEMQ-UHFFFAOYSA-N 327.921 5.153 0 40 EKAB Cc1ccccc1-c1nc2ccc(NC(=O)c3ccc(F)cc3)cc2o1 62049634 TXYSYEDGYOILSE-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 78458121 DKBRLYVKQPJRMW-DLBZAZTESA-N 347.458 5.047 0 40 EKAB Fc1cc(Cl)cc(SCc2cc(F)ccc2Br)c1 95733400 HPSJTDGVOOFXEW-UHFFFAOYSA-N 349.627 5.673 0 40 EKAB CC(C)(C)c1ccc(O[C@@H](Cc2cccc3ccccc23)C(=O)O)cc1 225048315 AYAMDKMXIOTTPT-NRFANRHFSA-N 348.442 5.212 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CCC)OCCC)cc1C 225740560 GQRYXSLDLBQDSC-OAQYLSRUSA-N 349.515 5.406 0 40 EKAB Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408620218 LCRUPENLWNSXBQ-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB CC(C)Cc1nc(CC(C)C)c(-c2cccc(Cl)c2)cc1C(=O)O 585265666 XESJYJOHVITSAD-UHFFFAOYSA-N 345.870 5.497 0 40 EKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccccc1 71568 MRQMOBLIHRSOFB-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB S=C(Nc1ccccc1)N(Cc1ccccc1)C[C@@H]1CC=CCC1 191767 ZYCDWGCMOIPMQK-LJQANCHMSA-N 336.504 5.242 0 40 EKAB Cc1cc(C)c2cc(C)c(SCC(=O)c3ccccc3F)nc2c1 412484 LWGAXTMTIVRGPS-UHFFFAOYSA-N 339.435 5.274 0 40 EKAB Cc1ccc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1 506029 WGBOFQWPRJNTLI-QFIPXVFZSA-N 327.431 5.381 0 40 EKAB O=C(NCc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl 2751477 FVFPSNSBDIJSAC-UHFFFAOYSA-N 349.044 5.230 0 40 EKAB CCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 5016922 SCJPLDMPGAPSON-BPVAQJAMSA-N 336.435 5.120 0 40 EKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 5737897 HFRPFKHUZBPTOQ-UHFFFAOYSA-N 331.198 5.504 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6477496 LVVQTHADIXQNCO-LBPRGKRZSA-N 339.382 5.133 0 40 EKAB Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1cccc(C(=O)O)c1 6961972 XBGUCPVCHMXJAA-UHFFFAOYSA-N 348.427 5.069 0 40 EKAB O=C(Nc1ccc2ncsc2c1)c1ccc(Cc2ccccc2)cc1 7596979 KBJBNWZRZPSJRM-UHFFFAOYSA-N 344.439 5.139 0 40 EKAB C[C@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CC[C@@H](C)C4 12633501 HVZGDFGBSDZBGU-LSDHHAIUSA-N 347.527 6.213 0 40 EKAB COc1ccccc1[C@H](Nc1ccccn1)c1c(C)[nH]c2ccccc12 19879378 WLSLEHXCYQODQL-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 51354143 FLXRXUXQARWMGH-UHFFFAOYSA-N 332.403 5.740 0 40 EKAB COc1ccc([C@@H](CC(=O)c2ccc(F)cc2)Nc2ccccc2)cc1 72422429 FKKLJJVHIGDTPO-OAQYLSRUSA-N 349.405 5.261 0 40 EKAB Cc1ccc(-c2nc3ccccc3n2-c2ccc(C)c(Cl)c2)cc1 73740048 MLSQAZUHBQTMDD-UHFFFAOYSA-N 332.834 5.963 0 40 EKAB CCOc1ccc(Cl)cc1CNc1ccc(Cl)c(Cl)c1 106956807 YJEXOKYBKBCINN-UHFFFAOYSA-N 330.642 5.658 0 40 EKAB C[C@]12CC[C@]3(CS3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 118918501 NHSADEZTTCEMTD-VIDVUAGHSA-N 334.569 5.266 0 40 EKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=C(C)C[C@]4(C)[C@H]3CC[C@]12C 118923512 BNUOBHYLRSENSB-CPDXTSBQSA-N 330.512 5.517 0 40 EKAB CCc1ccc(CC(=O)Nc2ccccc2Sc2ccccc2)cc1 223064901 KIKBOIOYODKYJS-UHFFFAOYSA-N 347.483 5.581 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)CCc2cccc3ccccc23)cc1 224079072 FXLIMUVLXXBOEL-QGZVFWFLSA-N 331.459 5.212 0 40 EKAB CCCO[C@](C)(CCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225740704 MYAKJDJGZGIVRS-DYESRHJHSA-N 349.515 5.405 0 40 EKAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C)c1 225933172 VARFJASOBSAPQB-UHFFFAOYSA-N 337.463 5.153 0 40 EKAB COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257345688 GNHLECXLLAGZRC-AJNFJFBKSA-N 332.528 5.251 0 40 EKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccccc1CC 71923 NVDNLDXAFGBALK-UHFFFAOYSA-N 348.446 5.334 0 40 EKAB O=C(CCc1ccc(Br)cc1)c1cc(F)cc(Cl)c1 2517198 MJHRZLHPFGVHDG-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB CC(C)C(=O)[C@@H]1[C@@H](C(=O)C(C)C)[C@H](c2ccccc2)[C@@H]1c1ccccc1 4429007 ICPJFLYCNOEUNZ-LRSLUSHPSA-N 348.486 5.250 0 40 EKAB S=C(NCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 6344253 NSWCIDLCXBKTBA-UHFFFAOYSA-N 345.682 5.133 0 40 EKAB O=C(CCCSc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 7738511 XDACSCGRSUUFLO-UHFFFAOYSA-N 348.830 5.111 0 40 EKAB O=C([C@@H]1CC=CCC1)N(c1ccccc1)c1nc2ccccc2s1 8338181 OKNSSGQUJUTZNX-OAHLLOKOSA-N 334.444 5.317 0 40 EKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cccs4)c3)nc2c1 14257938 PIHCJTJVXJMRQM-UHFFFAOYSA-N 348.427 5.371 0 40 EKAB CCOc1cccc(NC[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 19738380 DVHBIVZMQPBTOA-GFCCVEGCSA-N 340.250 5.272 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 20456646 JBQHURRARKLFMU-HNNXBMFYSA-N 340.275 5.503 0 40 EKAB C[C@@H](NCc1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1 26307407 GXBBHVCKHVYLCA-CYBMUJFWSA-N 346.261 5.030 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc3c2CCCC3)cc1Cl 71761791 XJUNDVPMUIWBIJ-UHFFFAOYSA-N 330.884 5.336 0 40 EKAB CCOC(=O)/C=C1\CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118928758 GYQSKOGOCVOEJI-ZTMXYXESSA-N 344.539 5.909 0 40 EKAB CC[C@@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc2c(c1)CCCC2 223023406 MASJONCCZYLMCH-OWSFEGEDSA-N 333.475 5.155 0 40 EKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1 225695440 HZOQLMWNOVVSCV-UHFFFAOYSA-N 349.515 5.280 0 40 EKAB CCc1ccc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)cc1 225710153 CPZWKDYUYSUHTF-LJQANCHMSA-N 326.509 5.304 0 40 EKAB O=C1c2ccccc2CN1c1ccc(-c2nc3ccccc3s2)cc1 226287257 FANAMSKWAVSHNK-UHFFFAOYSA-N 342.423 5.124 0 40 EKAB O=C1c2ccccc2CN1c1cccc(-c2nc3ccccc3s2)c1 226287350 VAFKAQSLAQCKPH-UHFFFAOYSA-N 342.423 5.124 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)C(Cl)(Cl)Cl)cc2)cc1 575358746 BMHRZOLMWLEEMP-UHFFFAOYSA-N 341.665 5.859 0 40 EKAB CC[C@@H](c1ccc(F)cc1)c1nnc([C@H](CC)c2ccc(F)cc2)o1 1614625569 WHWFKUKSWPBQOQ-HDICACEKSA-N 342.389 5.432 0 40 EKAB CC(C)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 281587 WTXAOYVIMVAVCH-ZDUSSCGKSA-N 333.884 5.583 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 348252 CVWZXGQARKAOPR-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1cc(Cl)ccc1Oc1ncc(-c2ccc(Cl)cc2)cn1 1383867 RYJNIAMKYHXAOS-UHFFFAOYSA-N 331.202 5.551 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 2652547 ICUVXKGUFSBUEU-GFCCVEGCSA-N 337.341 5.351 0 40 EKAB Cc1ccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1 4356104 XEQOERVCDDJXOR-UHFFFAOYSA-N 344.842 5.537 0 40 EKAB CC[C@@]1(C)C[C@](CCNCc2ccccc2F)(CCC(C)C)CCO1 5478744 NXENPVBYWWLXGA-VXKWHMMOSA-N 349.534 5.707 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3ccccc3Cl)cc2)cs1 7036965 AARHVPGCZVSQLD-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB C[C@@H](NCc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 8535339 QNHAMJJIUXRENQ-QGZVFWFLSA-N 335.422 5.256 0 40 EKAB O=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1ccccc1Cl 9584593 PKJDIVZVNFPVOL-CYBMUJFWSA-N 340.637 5.254 0 40 EKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)[C@H](C)c1ccccc1 12790379 BNSVTMDDDARINS-CYBMUJFWSA-N 342.489 5.013 0 40 EKAB CCCc1ccc(CN(Cc2cccnc2)Cc2cccs2)s1 13569774 JWMLIZHBEFHEAZ-UHFFFAOYSA-N 342.533 5.360 0 40 EKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 13689070 ACFBRBZYMTVSOJ-MRXNPFEDSA-N 341.410 5.399 0 40 EKAB Oc1ccc(-c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)cc1 18195147 MRHAFPJRULIVEQ-UHFFFAOYSA-N 338.407 5.007 0 40 EKAB Cc1ccccc1CSCC(=O)N[C@H](CC(C)C)c1ccccc1 44903290 VGQZEKFWJBKYRK-HXUWFJFHSA-N 341.520 5.132 0 40 EKAB Cc1ccccc1[C@@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 48286128 BHBYKTPTXOUNAJ-FQEVSTJZSA-N 336.410 5.126 0 40 EKAB Clc1cc(Cl)c2oc(-c3ccc(Br)cc3)nc2c1 73639091 PODVZGVEQQOFJU-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB O=C(CCc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl 85652008 VMMVSCMQTOVCHG-UHFFFAOYSA-N 347.163 5.828 0 40 EKAB Cc1ccc(COc2cccc(CNc3ccc(C)c(C)c3)c2)cc1 106974533 XCRMKDRWWQFGMU-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB CC(C)c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 216913549 BYYXWHFFVLTFGU-UHFFFAOYSA-N 349.659 5.769 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C)c1C 222909571 FLMAJOYPTPHXIM-FQEVSTJZSA-N 339.479 5.397 0 40 EKAB CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222979516 LFVYHSQMRBLYDS-OAHLLOKOSA-N 339.504 5.168 0 40 EKAB CC[C@@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225614641 FTPXTJYBHCSSOX-QGZVFWFLSA-N 349.515 5.280 0 40 EKAB C[n+]1ccccc1-c1cc2c3ccccc3ccn2c1-c1ccccc1 1667693 FATTVFDAHYODNH-UHFFFAOYSA-N 335.430 5.251 0 40 EKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\Cc3ccccc3)c2c1 1916676 AEDWVHCAMWVPDQ-HIXSDJFHSA-N 345.829 5.854 0 40 EKAB O=C(CCc1ccc(Br)cc1)c1ccc(Cl)cc1F 2517199 YKWCNSWCDNNGJV-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB CN(C(=O)/C=C/c1cccs1)C(c1ccccc1)c1ccccc1 3366926 UOPRERFHEODFGW-CCEZHUSRSA-N 333.456 5.009 0 40 EKAB COc1cc(C)c(/C=C/C(C)=C/C=C\C(C)=C/C(=O)O)c(C)c1C 5765111 IHUNBGSDBOWDMA-FZCLVFSMSA-N 326.436 5.167 0 40 EKAB in-vitro CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc(Cl)cc1Cl 6042888 WGWGFWKWXUCCSM-AORWBKJGSA-N 328.283 5.339 0 40 EKAB Brc1ccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@H]23)cc1 7098216 GBMXBGXKOREWBD-NJAFHUGGSA-N 344.252 5.084 0 40 EKAB c1ccc2sc(-c3ccc(-c4nc5ccccc5s4)cc3)nc2c1 9235235 HSAOVLDFJCYOPX-UHFFFAOYSA-N 344.464 6.240 0 40 EKAB CSc1ccccc1C(=O)Nc1ccc2c(c1)-c1ccccc1C2 13001249 AURPJJYKIDYGAU-UHFFFAOYSA-N 331.440 5.232 0 40 EKAB O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1cccs1 29797126 BSCCYXSWEBHWKO-CYBMUJFWSA-N 326.248 5.032 0 40 EKAB C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 35170249 HZJRRCMQPKSHRC-GNTOHDJUSA-N 348.273 5.220 0 40 EKAB O=C(Nc1ccccc1N1CCCCCC1)c1ccc(Cl)s1 71839096 QEYCHYCURDZUDM-UHFFFAOYSA-N 334.872 5.034 0 40 EKAB Cc1ccccc1-c1nc2cc(C(C)C)cc(Br)c2o1 73639728 YNLWQIGPIVWTMV-UHFFFAOYSA-N 330.225 5.689 0 40 EKAB CC1(NC(=S)Nc2ccc(OC3CCCC3)cc2)CCCCC1 225869381 OVEBRDLTAXUIFV-UHFFFAOYSA-N 332.513 5.017 0 40 EKAB Nc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 226349041 XNYITHUEDAKRDJ-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB CC1(C)CCCN(Cc2ccc(OCc3ccccc3F)cc2)CC1 1615055698 LRHCZMFBKCBGJR-UHFFFAOYSA-N 341.470 5.417 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1cccc(Cl)c1Cl 579390 QWPXOJOKRYFQFQ-CMDGGOBGSA-N 326.610 5.299 0 40 EKAB COc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc2c1 2576846 MQGGJIUWLGRHIM-UHFFFAOYSA-N 328.367 5.136 0 40 EKAB biogenic CCCCN(Cc1ccccc1)C(=O)Nc1cn(C)c2ccccc12 5265541 NUZNZLSWACCWPJ-UHFFFAOYSA-N 335.451 5.013 0 40 EKAB CCCCCC(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 5501990 SCGXGXRBSGTCKQ-UHFFFAOYSA-N 336.435 5.630 0 40 EKAB Cc1cc2nc(/C=C/c3ccccc3OC(F)F)sc2cc1C 5517174 LSVOIEBQWGQPNB-BQYQJAHWSA-N 331.387 5.685 0 40 EKAB CC(=O)OC1=Cc2ccccc2[C@@H](c2ccccc2)c2ccccc21 5663884 RCCIUMHOWJFJJX-HSZRJFAPSA-N 326.395 5.241 0 40 EKAB CN(C)c1ccc2c(c1)N(C)c1ccccc1[C@@]2(Cl)c1ccccc1 5852294 KWRMDCFPDHDWRO-QFIPXVFZSA-N 348.877 5.365 0 40 EKAB Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(Cl)c1 6272316 AGMWKDPPNWGJJH-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB CCOc1ccc(Br)cc1CNC(C)(C)CC(C)(C)C 7521010 GSRFKRBWBJXVJU-UHFFFAOYSA-N 342.321 5.152 0 40 EKAB CCc1cc2c(SCCCC(=O)c3ccccc3)ncnc2s1 7975782 JSSOHKUZHATHDN-UHFFFAOYSA-N 342.489 5.009 0 40 EKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccccc2)cc1 22053736 KYHNPJDCTOJVGV-UHFFFAOYSA-N 331.419 5.201 0 40 EKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1cccs1 32845932 FQFXKOXZFCERIS-LJQANCHMSA-N 333.412 5.014 0 40 EKAB Cc1ccc(SCCC(=O)Nc2c(Cl)cccc2Cl)cc1 41779769 KASAUFWAYNNKSD-UHFFFAOYSA-N 340.275 5.423 0 40 EKAB CCN(C(=O)c1oc2c(Cl)cccc2c1C)c1ccccc1C 45949803 RTPXLLHUUVURTJ-UHFFFAOYSA-N 327.811 5.370 0 40 EKAB CSc1ccccc1CCC(=O)c1c(Cl)cccc1Cl 85651860 VEGFAKIGSQSYLU-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB Fc1cc(Cl)cc(SCc2ccc(Br)cc2)c1 95733338 SIWXGUAXKBEUOV-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB Cc1ncccc1CNc1cc(C(F)(F)F)ccc1N1CCCCC1 97032000 LGOCWOWEMQTXRQ-UHFFFAOYSA-N 349.400 5.011 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1OCC 106993348 JGQJHIXCBOHBBT-UHFFFAOYSA-N 349.858 5.148 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1cc2cc3ccccc3nc2s1 223128648 XSVJQLDZQRYEON-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224392111 SQBNRPVYFNOOGX-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc2ccccc12 408585188 CLSYYJCHTUBOSX-UHFFFAOYSA-N 339.822 5.534 0 40 EKAB CC(C)Oc1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 408617990 ILSNWPUERNDLGF-UHFFFAOYSA-N 345.398 5.626 0 40 EKAB Cc1cc(NC(=O)c2cc(C)c(-c3ccccc3)s2)ccc1C(C)C 526052481 SRSKUYLTVVJSJK-UHFFFAOYSA-N 349.499 6.408 0 40 EKAB Cc1ccc(-c2nsc(N(c3ccccc3)c3ccccc3)n2)cc1 1740816559 LUZYDTMZTBTCCF-UHFFFAOYSA-N 343.455 5.983 0 40 EKAB CC(C)(C)c1ccc(CSc2nc3cc(Cl)ccc3[nH]2)cc1 349776 APYYBVTZTFANMC-UHFFFAOYSA-N 330.884 5.806 0 40 EKAB COc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1C 574956 MJSBFYMLQIKDFV-HMMYKYKNSA-N 341.410 5.223 0 40 EKAB CCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C 4899220 CILLEQOHMDEEAL-GPHNJDIKSA-N 337.507 5.266 0 40 EKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(Cl)c1 6378367 WPMYVRKPLRUZPI-UHFFFAOYSA-N 339.797 5.327 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 8040815 IGLIFNOSLGRKCZ-KRWDZBQOSA-N 347.414 5.193 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1C 8492641 HCIUYBJDDVFRFW-INIZCTEOSA-N 338.234 5.098 0 40 EKAB CC1=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@H](c2cccs2)C1 8570238 VNDOHJNLOARPFX-HNNXBMFYSA-N 341.867 5.659 0 40 EKAB CCCc1ccc(-c2nn3c(-c4cc(C)cc(C)c4)nnc3s2)cc1 8715054 JHLAXPRTVROCOT-UHFFFAOYSA-N 348.475 5.089 0 40 EKAB CCc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 9141675 UXPDCQLHCHZXLV-UHFFFAOYSA-N 328.626 5.462 0 40 EKAB CN(C(=O)CCc1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 12732229 DECBTTKMZOINCN-QHCPKHFHSA-N 347.433 5.006 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccs1 12913930 XSTKZOSAOUEBLC-KRWDZBQOSA-N 342.851 5.313 0 40 EKAB CC(C)(C)n1c(-c2ccc(Cl)cc2)cs/c1=N\Cc1ccco1 13400928 WKEUUHXWEAXYOL-JZJYNLBNSA-N 346.883 5.319 0 40 EKAB Fc1cccc(Cl)c1CNC(c1ccccc1)c1ccccc1 19871674 JATLPCOUVWPKNJ-UHFFFAOYSA-N 325.814 5.358 0 40 EKAB Fc1ccc(-n2c(-c3ccc(Br)cc3)c[nH]c2=S)cc1 26423105 ISDYQDOOXZVZBL-UHFFFAOYSA-N 349.228 5.103 0 40 EKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2\SC(=S)N=C2O)o1 33286121 QGOXWWBKRXUNRL-QPEQYQDCSA-N 335.837 5.238 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 51354194 WQCVTFZSMMKSFI-UHFFFAOYSA-N 342.748 5.620 0 40 EKAB C[C@@]12C=CC[C@H]1[C@@H]1CCc3cc(OCc4ccccc4)ccc3[C@H]1CC2 65734646 VAHVWDBSHRYVAP-NGSHPTGOSA-N 344.498 6.288 0 40 EKAB in-vitro c1ccc(CSc2nc(-c3ccccc3)oc2-c2ccccc2)cc1 94992777 XNIITWQVRQBHMN-UHFFFAOYSA-N 343.451 6.301 0 40 EKAB Oc1cc(/N=N/c2cccc(Br)c2)c2ccccc2c1 101097754 ANUBGEHVKHOVLD-VHEBQXMUSA-N 327.181 5.723 0 40 EKAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225797932 CDALWMPNUIGTCA-OAQYLSRUSA-N 343.467 5.018 0 40 EKAB CCCOc1ccc(CNc2cc(Cl)ccc2C)cc1OCC 409112062 JYABGLBBINZINO-UHFFFAOYSA-N 333.859 5.448 0 40 EKAB COc1cc2ccccc2c(-c2c(O)c(OC)cc3ccccc23)c1O 391733 DTMPNHYCCYOTJD-UHFFFAOYSA-N 346.382 5.088 0 40 EKAB Cc1ccc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1 506030 WGBOFQWPRJNTLI-JOCHJYFZSA-N 327.431 5.381 0 40 EKAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(Cl)cc1 4678400 BQMKJPSQFDTRHF-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1Cl 5948117 FJQWESVUSMKQLW-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB Cc1ccc(Cl)cc1NC(=S)Nc1cccc(Cl)c1C 7527064 YKVKFXDIXQQRKX-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB CCOc1ccc(Cl)cc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 8324591 FCOLWYNEUOYYPI-HILYYZTDSA-N 347.930 5.433 0 40 EKAB CCc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 13815186 AMHUAYZGMJEAEC-UHFFFAOYSA-N 339.291 5.042 0 40 EKAB Clc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 15974612 AUAFKEKGIMCMQJ-UHFFFAOYSA-N 341.823 5.164 0 40 EKAB Cc1ccc(C)c2c1[C@H](c1ccccc1)N(N=O)[C@@H]2c1ccccc1 16932115 WJUAOAVJNBDDAJ-SZPZYZBQSA-N 328.415 5.479 0 40 EKAB CCOc1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 20492630 PKHORHBNHZWHTR-FQEVSTJZSA-N 349.430 5.035 0 40 EKAB CC[C@@H]1c2ccsc2CCN1Cc1nc(-c2cccs2)oc1C 24097014 WVDQAZHCMBDYNB-OAHLLOKOSA-N 344.505 5.282 0 40 EKAB CC(=O)OCc1cc(SC(C)(C)C)cc(SC(C)(C)C)c1 44069138 PHEUSZAMYDZDIS-UHFFFAOYSA-N 326.527 5.531 0 40 EKAB CSc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccccc1C 44947059 FDTMCLOQEYANJC-NRFANRHFSA-N 347.483 5.236 0 40 EKAB CC(C)(C)c1ccc2oc(Nc3nc4ccc(N)cc4s3)nc2c1 57352652 RXEPNGQVBYNLAK-UHFFFAOYSA-N 338.436 5.061 0 40 EKAB c1ccc(C(NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 60296385 VGXHNTCQRKYIMY-UHFFFAOYSA-N 349.477 6.155 0 40 EKAB CCCCOc1ccc(N[N+](=O)c2ccc(OCCCC)cc2)cc1 98045461 VPWLOTNIWJZGND-UHFFFAOYSA-N 343.447 5.482 0 40 EKAB Cc1c(Br)cccc1-c1cccc(Br)c1C 196481318 ZHXQKEILKBILBK-UHFFFAOYSA-N 340.058 5.495 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CCc2cccc3ccccc23)c(C)c1 222675673 IPLDETGEANGXBN-SFHVURJKSA-N 331.459 5.267 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C)c(C)c1 225709605 UTMMOFZUVGEPQU-KRWDZBQOSA-N 332.900 5.395 0 40 EKAB Cc1cccc(NCc2ccccc2OCc2cccc(F)c2)c1C 409113649 FEPLQDNJSLPUMA-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CC(C)n1cc(CN2CCC[C@@H](c3nccs3)C2)c2ccccc21 2037850046 KWKVLJQFNJWQAY-MRXNPFEDSA-N 339.508 5.058 0 40 EKAB CC(C)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 36280 LCZVXAALMNQJDB-UHFFFAOYSA-N 342.489 5.151 0 40 EKAB Cc1ccc2nc(-c3ccsc3)c(Nc3c(C)cccc3C)n2c1 426787 HWNXVZUDBJZXCW-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)cc1 539026 CRPHJSVVOOYITK-UHFFFAOYSA-N 346.409 5.291 0 40 EKAB CCCCCCNP(=O)(Oc1ccccc1)Oc1ccccc1 1675285 LCYOWIQUQUFORP-UHFFFAOYSA-N 333.368 5.422 0 40 EKAB CCCCCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 2084262 APVWNYNCUULOJK-UHFFFAOYSA-N 349.503 5.878 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1ccc(Br)cc1 2517747 UMMRBXWPIIRYNI-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)c1ccccc1-2 5340446 ZBIYCNYWPCTLFM-UHFFFAOYSA-N 334.374 5.282 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C 8041244 IHQQWHFWUHJKGO-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 13709969 HDHKQMWEMROBCN-SECBINFHSA-N 344.625 5.053 0 40 EKAB C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 57315273 XGPDUCSHOQTBSA-ROUUACIJSA-N 344.458 5.031 0 40 EKAB c1ccc(CN2CCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 72212128 GGPYEHIWFNJTIR-OAQYLSRUSA-N 330.431 5.211 0 40 EKAB Clc1ccc(Cc2nc3ccc(Br)cc3s2)cc1 73638825 KMITZBPYNKOCAJ-UHFFFAOYSA-N 338.657 5.303 0 40 EKAB Cc1ccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1 96184244 NURCLSBOTZJKSJ-UHFFFAOYSA-N 332.355 5.144 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1Cl 98072787 VNVDBORHQNUADB-UHFFFAOYSA-N 349.139 5.656 0 40 EKAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc(C)cc2)c2ccccc2O1 223151213 VFNKPRMZFNESHT-JWHUVLAVSA-N 349.474 5.207 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccccc1C 225757133 HRESQJGWSFEOOJ-INIZCTEOSA-N 348.899 5.095 0 40 EKAB Cc1c(C(=O)COCc2ccccc2)sc2ccc(Cl)cc12 382732555 VFCTXYNTUKMUAT-UHFFFAOYSA-N 330.836 5.263 0 40 EKAB CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3S[C@H]2c2ccccc2)C1 409337152 YEEUOUBZGDGPFR-UXHICEINSA-N 335.472 5.611 0 40 EKAB Cc1c(C)n(C(=O)CSc2ccc(Cl)cc2)c2ccccc12 190946 KMULCHRNMQBOFA-UHFFFAOYSA-N 329.852 5.344 0 40 EKAB CC(C)C(=O)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 560891 FXBZLEMGQIFLRA-UHFFFAOYSA-N 341.838 5.212 0 40 EKAB CC(C)Cn1c(COc2cccc3ccccc23)nc2ccccc21 572359 QFHVJLLNNBIWSO-UHFFFAOYSA-N 330.431 5.425 0 40 EKAB CN(C)CCC[C@@H]1c2ccccc2Oc2ccc(C(F)(F)F)cc21 1692742 WRNDGAGUUNVEEO-CQSZACIVSA-N 335.369 5.285 0 40 EKAB in-vitro Cc1ccc(C(=O)COc2ccc(Oc3ccccc3)cc2)c(C)c1 3346179 QPWDMMCOIZDRGJ-UHFFFAOYSA-N 332.399 5.357 0 40 EKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)cc1 3367669 SYJDUWTUUYZSHM-FOIQADDNSA-N 337.463 5.761 0 40 EKAB COc1ccc(C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 3451312 ZPCVPLHCEFBYDB-INIZCTEOSA-N 332.399 5.012 0 40 EKAB CC(C)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 4177249 LHRDORYDOIQLMI-UHFFFAOYSA-N 343.470 5.971 0 40 EKAB C[C@H](Nc1nc(Cl)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 4695998 NLDYXWLNNLFBTB-PGBBXINNSA-N 341.886 5.300 0 40 EKAB CC[C@@H]1CCCCN1c1ncnc2cc(-c3ccc(F)cc3)sc12 5951019 SCWKABQRRIKRDB-OAHLLOKOSA-N 341.455 5.266 0 40 EKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2)cc1OCC 6891068 CVBQKGSBQGQQOJ-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB Cc1ccccc1OCC(=O)Nc1ccccc1Sc1ccccc1 8571557 ZAOXQJXIGCLPAR-UHFFFAOYSA-N 349.455 5.164 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 14257914 XKSQQSOYRBHKLJ-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CCCCCCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 16638422 KFHRFZSWULBZSK-UHFFFAOYSA-N 330.859 6.107 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccccc1 20111079 MWBNUPRZYNIJJJ-YADHBBJMSA-N 347.458 5.265 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 20451530 JBFQEBIDSFRFPI-GOSISDBHSA-N 345.442 5.065 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C 20460319 YTCLQPIOKLCCAM-ACJLOTCBSA-N 345.895 5.189 0 40 EKAB Cc1ccccc1/C=C1/C[C@@H](C)Cc2c1nc1ccccc1c2C(=O)O 33382892 PTURXXXCONTOCR-CPZHOGDASA-N 343.426 5.364 0 40 EKAB Clc1ccccc1-c1nc(CSc2nccn2C2CC2)cs1 36649100 FAEFYZVWUNNFCS-UHFFFAOYSA-N 347.896 5.287 0 40 EKAB CCOc1ccc2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57353011 NDTUGNCRBMRMEL-UHFFFAOYSA-N 345.811 5.233 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 71326248 BEHXUPLLOVTJIB-UHFFFAOYSA-N 338.398 5.638 0 40 EKAB CC(C)(C)OC(=O)N1CCC[C@@H](CSc2ccc(Cl)cc2)C1 72203991 SIBAPGCHHOWVIR-CYBMUJFWSA-N 341.904 5.079 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344093 WFECUUYAFHHZOE-GJZGRUSLSA-N 340.637 5.389 0 40 EKAB Cc1c(C)n(-c2ccc(Br)cc2Cl)c2ccccc12 95915872 WDZRNHBWIHAZCN-UHFFFAOYSA-N 334.644 5.663 0 40 EKAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N(c1ccccc1)c1ccccc1)CC2=O 100767854 NKGOWKBRWRLSPL-GOTSBHOMSA-N 347.458 5.137 0 40 EKAB c1ccc(CSc2nnc(C3(c4ccccc4)CCCC3)o2)cc1 285981 QBMSWLGCZOWEJS-UHFFFAOYSA-N 336.460 5.222 0 40 EKAB O=C(CSc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl 351183 FOLFHNJCPHXAIF-UHFFFAOYSA-N 346.666 5.378 0 40 EKAB Fc1cccc(CSc2ncnc3sc4c(c23)CCCC4)c1 524921 WVXSWRYTYPUGQV-UHFFFAOYSA-N 330.453 5.002 0 40 EKAB O=C(NC1CCCCC1)Oc1ccc(-c2ccccc2)cc1Cl 1738978 RJTJARKSWKHARA-UHFFFAOYSA-N 329.827 5.428 0 40 EKAB O=C(OCc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1 3313058 SEUDHCBSZSDMOH-UHFFFAOYSA-N 349.135 5.369 0 40 EKAB CCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 4115907 OWVUKGIGTQUAQP-DTQAZKPQSA-N 334.463 5.796 0 40 EKAB O=C(/C=C/c1ccccc1)Oc1ccc(Sc2ccc(O)cc2)cc1 4666466 GFGIKAASWLUSSZ-GIDUJCDVSA-N 348.423 5.162 0 40 EKAB CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 4804982 LOCMUFRTSWBCQZ-GUCLMQHLSA-N 330.512 5.231 0 40 EKAB Cc1ccc(NC(=O)NC23CC4(C)CC(C)(CC(C)(C4)C2)C3)cc1C 5020596 SMSJSAFEZBYUQA-UHFFFAOYSA-N 340.511 5.564 0 40 EKAB CCCCC[C@H](CN(C)C)[C@H](O)/C=C/c1ccc(Cl)c(Cl)c1 5385192 WCYCZNSVADQWAW-CLXRJOFESA-N 344.326 5.126 0 40 EKAB Cc1cc2nc(/C=C/c3ccc(-c4ccccc4)cc3)sc2cc1C 6611680 JAPKJDLQRPWONA-JLHYYAGUSA-N 341.479 6.751 0 40 EKAB O=C(Sc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 16526036 RGDLFPAQRYCGPT-UHFFFAOYSA-N 333.334 5.186 0 40 EKAB CCCCOc1cccc(-c2n[nH]c(Nc3ccc(Cl)cc3)n2)c1 20411720 PJRKPTHDSMVRDO-UHFFFAOYSA-N 342.830 5.048 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 44899979 BLTSPFORFJXHSM-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1cc(C)c2oc(-c3ccc(Cl)cc3Br)nc2c1 73638143 JCTOTBOKDNWKAJ-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB Cc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1Br 95916642 XCQJRXSENHAUHJ-UHFFFAOYSA-N 344.035 5.295 0 40 EKAB C[C@H](N[C@H](C)c1ccncc1)c1ccc(-c2ccccc2F)s1 95967098 HYAFICGCVNBABQ-KGLIPLIRSA-N 326.440 5.361 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1CNc1ccc(OC)cc1 106956614 AXFKANLMKNYZIP-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB CCOc1cc(CNc2ccccc2)ccc1OCc1ccc(C)cc1 106975389 BDJDEGMNBCAAGH-UHFFFAOYSA-N 347.458 5.585 0 40 EKAB CCCC[Sn](CCCC)(CCCC)COC 195843109 UOHDZXTWPSGQLO-UHFFFAOYSA-N 335.120 5.021 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 216444294 GZDMDNVAHKCGOK-OAHLLOKOSA-N 343.492 5.328 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1)c1ccc(C)cc1C 219597462 DXTZYTCNWJRBPL-LEWJYISDSA-N 339.479 5.037 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)c(Cl)c1 222949768 LNXVRPAARRCDOC-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224136170 FCJPBCNYOGFTPO-ZDUSSCGKSA-N 349.361 5.131 0 40 EKAB CCCCOc1c(C)cc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641727 LEOHMTAEIAIDNL-UHFFFAOYSA-N 347.499 5.016 0 40 EKAB Cc1ccc([C@H](NC(=O)c2cc(C)c(C)cc2C)c2ccccc2)cc1 225647020 POKZONWADGQEKB-HSZRJFAPSA-N 343.470 5.440 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccc(C(C)C)cc2)cc1C(C)C 225655228 ACXPYDCJRLQEBX-UHFFFAOYSA-N 325.452 5.503 0 40 EKAB CCCn1c(SCCCc2ccccc2)nnc1-c1ccccc1 409096144 FNJYUYGKPPASOP-UHFFFAOYSA-N 337.492 5.080 0 40 EKAB CC[C@@H](C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccccc1 575361518 OIXRSYXFHNZPKC-CYBMUJFWSA-N 326.745 5.735 0 40 EKAB CC(C)c1ccc(NC(=O)c2cc3c4ccccc4n(C)c3s2)cc1 1402106 FMECEIZBEZIWSV-UHFFFAOYSA-N 348.471 5.769 0 40 EKAB Cc1cc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1-2 1430290 XQVMFQCHRSAEAE-KRWDZBQOSA-N 330.218 5.138 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)s3)ccc21 3241587 KETMDTBLAAKDMH-UHFFFAOYSA-N 334.444 5.437 0 40 EKAB CSc1ccc(-c2nc3ccccn3c2Nc2ccccc2C)cc1 3911640 MMYCZLJXGLONOQ-UHFFFAOYSA-N 345.471 5.775 0 40 EKAB Clc1nc(-c2ccccc2)nc2scc(-c3cccs3)c12 4205379 MVAGBPKYNISOSK-UHFFFAOYSA-N 328.849 5.740 0 40 EKAB COc1ccc(-c2c/c(=N\c3ccccc3)c3cc(F)ccc3o2)cc1 4738057 MNEKIOGXGXRLFF-HIXSDJFHSA-N 345.373 5.480 0 40 EKAB CC1(C)CC(=O)[C@@H]2[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@]2(C)C1 5415008 CIMULNHZAFWYPH-ADYITMSISA-N 333.475 5.084 0 40 EKAB Cc1nc(SCc2cc(-c3ccco3)on2)n(C2CCCC2)c1C 9338306 UPLFRYOQPMTXJZ-UHFFFAOYSA-N 343.452 5.155 0 40 EKAB O=C(Nc1cccc2ncccc12)c1ccc(Oc2ccccc2)cc1 12848461 MQWFXCRMIQRSEP-UHFFFAOYSA-N 340.382 5.279 0 40 EKAB Cc1cccc(Nc2ncccc2C(=O)Nc2cccc(Cl)c2)c1 22072788 CYDPPMIYSRAXTG-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB Cc1oc(-c2cccs2)nc1CN[C@@H](C)c1ccccc1Cl 22358153 OLGBKEDKADKTPD-NSHDSACASA-N 332.856 5.216 0 40 EKAB Cc1ccc(-c2cnc(SC(C)C)n2-c2cccc(Cl)c2)cc1 44087290 XCNGIKJJLUVBAB-UHFFFAOYSA-N 342.895 6.002 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c(C)c1 64982925 ZZRQLYZAWWXYJT-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl 70717891 MRYAQYWAZAPSDU-JTQLQIEISA-N 326.248 5.113 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2ccc(Br)cc2)c1 71326245 GLMVNBKSWYUXFL-UHFFFAOYSA-N 349.297 5.381 0 40 EKAB CC(C)(C)[C@@H](NC(=O)c1ccc(F)cc1Cl)c1cccs1 78355133 XJXWSFBMLPPCBB-AWEZNQCLSA-N 325.836 5.058 0 40 EKAB FC(F)(F)c1cnc(/C=C/Nc2ccccc2Cl)c(Cl)c1 100324231 FLLYKGWESXKWTJ-AATRIKPKSA-N 333.140 5.490 0 40 EKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccccc1 206296087 HNAJONRFILLHTO-CPNJWEJPSA-N 345.423 5.076 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2SC(C)C)cc1C 219657724 HFLNQEROBFICOW-MRXNPFEDSA-N 327.493 5.295 0 40 EKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)CC(C)C)c3C)nc2c1 1413938 ATRBHKSALRELPD-UHFFFAOYSA-N 336.435 5.405 0 40 EKAB FC(F)(F)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 2741219 NSNZFBCAPWKEFN-UHFFFAOYSA-N 343.352 5.194 0 40 EKAB CCC[C@@]1(O)C[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C(C)C 4084642 VKZWRJPZKYCXEQ-MYDTUXCISA-N 337.507 5.266 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Oc3cccc(C)c3)cc2)cc1 6479762 JZGJNFQRZLNQPG-UHFFFAOYSA-N 332.399 5.102 0 40 EKAB Clc1ccc(CSCc2ccc(-c3ccccc3)cc2)s1 6850512 JKVLBUZLEHUSOR-UHFFFAOYSA-N 330.905 6.502 0 40 EKAB Cc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1Cl 6866153 GMZLSDJTUBRPAY-ZDLGFXPLSA-N 339.822 5.116 0 40 EKAB CCc1cccc(CC)c1NC(=O)CSCc1cccc(Cl)c1 7094116 ZHFLJIFNUPRKJU-UHFFFAOYSA-N 347.911 5.337 0 40 EKAB Cc1csc(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)n1 7195946 HRAXTHDPEXXVPE-ZDUSSCGKSA-N 334.510 5.003 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(OC)cc1 8085623 NBOLCADMBYTIBA-QGZVFWFLSA-N 348.899 5.095 0 40 EKAB CC(C)c1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 8209445 ZLRJQKPNPSODPS-UHFFFAOYSA-N 334.444 5.095 0 40 EKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc2ccccc12 23016038 PGAWCMALZXZPND-OAHLLOKOSA-N 344.414 5.811 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12 30751573 WUMJQFSDAHIQNI-LJQANCHMSA-N 339.822 5.289 0 40 EKAB Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2C)cc1C 260417 ASBAJXGXMFBRCY-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB Cc1sc(NC(=O)C2CCCCC2)c(C(=O)c2ccccc2)c1C 411282 CWQYCNVXJFFQJF-UHFFFAOYSA-N 341.476 5.115 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 423608 UFZBMBXTHKXPKP-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB Nc1c(Cl)cc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1Cl 570203 JVFBTRNZGQMMSV-UHFFFAOYSA-N 348.016 5.691 0 40 EKAB C[C@@H](c1ccccc1)C1N(c2ccccc2)CCN1c1ccccc1 1733303 FJEQFEQBWAZARY-IBGZPJMESA-N 328.459 5.143 0 40 EKAB Cc1cc(C)c(NC(=O)C2[C@H]3CC/C=C/CC/C=C\CC[C@@H]23)c(C)c1 3060865 FWYWHXFRKQRPHK-IYAGEPSCSA-N 337.507 5.879 0 40 EKAB Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1 3898851 RIEOGBAXAMAYFY-QFIPXVFZSA-N 346.861 6.004 0 40 EKAB CC(C)(C)c1ccc(-c2nnc(S)n2-c2ccccc2Cl)cc1 6146221 WNEDDPDCTLGSCT-UHFFFAOYSA-N 343.883 5.174 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 6602293 VHIKTELNFBMRMJ-INIZCTEOSA-N 325.452 5.341 0 40 EKAB CCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 7261664 AGYUPHFKQSJRFR-UHFFFAOYSA-N 338.278 5.462 0 40 EKAB O=Cc1cc(Br)ccc1Nc1cc(Cl)cc(Cl)c1 8732605 UKLNUKOLCPDZAY-UHFFFAOYSA-N 345.023 5.312 0 40 EKAB COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl 9141517 XDQNUQVOZOSUIL-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB S=C(Nc1ccc2ncccc2c1)Nc1cccc2ccccc12 18193671 XXIITPKYOIPKDH-UHFFFAOYSA-N 329.428 5.197 0 40 EKAB Clc1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1 19810069 JGEXAYVJXHJTOY-UHFFFAOYSA-N 335.878 5.585 0 40 EKAB Cc1cc(C)c2sc3c(Nc4ccc(Cl)cc4)ncnc3c2n1 68755711 RILKOYXJGYILMY-UHFFFAOYSA-N 340.839 5.253 0 40 EKAB CC(C)[C@H](C)N(C(=O)c1cc(-c2ccco2)nc2ccccc12)C1CC1 71804868 XGXAVDPPIICRAX-HNNXBMFYSA-N 348.446 5.144 0 40 EKAB CCc1cccc(C)c1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102498907 UHCSINFBRBWXEZ-SNEKZUEESA-N 331.887 5.074 0 40 EKAB CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 223142212 IZKKPPHVIIZIAQ-FQEVSTJZSA-N 341.882 5.029 0 40 EKAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(-c3ccccc3)cc1)OC2(C)C 257233893 GRFCIADETBCNSX-JEWQEZCWSA-N 336.475 5.227 0 40 EKAB Cc1cccc(-n2c(C)nnc2SCc2ccc3ccccc3c2)c1 409102238 VPNNJDBBMIPBIL-UHFFFAOYSA-N 345.471 5.330 0 40 EKAB CCc1c(C(F)(F)F)nc2ccc(OCc3ccccc3)cc2c1O 685937918 AYWZSOIVXLBCCA-UHFFFAOYSA-N 347.336 5.101 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)cc1 2650780 JIVPMOMNGDKZRG-UHFFFAOYSA-N 346.430 5.106 0 40 EKAB Cc1cc(Nc2cccc(C)c2C)nc(Nc2cccc(C)c2C)n1 2766313 FDLINSQOFFMERJ-UHFFFAOYSA-N 332.451 5.506 0 40 EKAB Cc1cccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)o2)c1 4903875 ZPUUNOYTHXECSI-UHFFFAOYSA-N 338.476 5.635 0 40 EKAB CSc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 14577012 GWFRDARUXKMDRK-NRFANRHFSA-N 347.483 5.236 0 40 EKAB CC[C@@H](C)Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 19737699 UXUVXDOIZIAHJJ-GOSISDBHSA-N 347.458 6.268 0 40 EKAB Cc1ccc(-c2cnc(SC(C)C)n2-c2ccc(Cl)cc2)cc1 44087554 WBJHZQMEKZUMQH-UHFFFAOYSA-N 342.895 6.002 0 40 EKAB CN(C)c1ccc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 73739965 JFZJBTZOMKCQDJ-UHFFFAOYSA-N 347.849 5.412 0 40 EKAB c1ccc(-c2ncc3cc4c(cc3c2-c2ccccc2)OCO4)cc1 95864794 GMODXMZZVJOKNO-UHFFFAOYSA-N 325.367 5.298 0 40 EKAB Cc1cccc(COc2ccc3occ(C(=O)c4ccccc4)c3c2)c1 96184068 ZUNOJBUDJBMMJG-UHFFFAOYSA-N 342.394 5.551 0 40 EKAB Fc1ccc(NCc2ccccc2OCc2ccccc2)cc1Cl 107027151 NYMFUNXETUZDEP-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CC(C)(C)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118924496 YUQRKSFLRITHTG-WRCKMSFESA-N 346.555 5.782 0 40 EKAB Cc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)c(C)c1 223127724 IDWTWDNUXFIPJO-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB CC(C)C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 225306578 PFYJWNIYFRZFGM-IBGZPJMESA-N 329.871 5.176 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]21OCCS1 245239474 JIFTUOBNCNREQG-WFWJNZLESA-N 348.552 5.058 0 40 EKAB CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500142 XTSCVFJBNHHMKD-UBHOZABWSA-N 332.528 5.129 0 40 EKAB biogenic Cc1ccc(C)c(NCc2cccc(OCc3ccc(F)cc3)c2)c1 409121858 YMHJGLHWQGCSDT-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CC[C@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)c1ccccc1 1469202 HAMIPPDCBFOBBY-AZUAARDMSA-N 339.504 5.311 0 40 EKAB CCCCOC(=O)c1ccc(OC(=O)c2cccc3ccccc23)cc1 2069704 QOZPXTDKQUXVKC-UHFFFAOYSA-N 348.398 5.016 0 40 EKAB COc1ccccc1NC(=O)Nc1ccc2oc3ccccc3c2c1 3434522 IIEAFQSEFBYMSH-UHFFFAOYSA-N 332.359 5.239 0 40 EKAB OC1=N[C@@H](c2ccccc2Cl)Nc2scc(-c3ccccc3)c21 4571717 CYKULYUIDFGZSL-MRXNPFEDSA-N 340.835 5.497 0 40 EKAB CC[C@]1(C)c2ccccc2N(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 4815232 JBFSZZLFGMSOOS-DNQXCXABSA-N 341.454 5.759 0 40 EKAB CCCCCCSC[C@@H](C)O[C@H](C)CSCCCCCC 5418310 CRAZKLZNOFAKBF-QZTJIDSGSA-N 334.635 6.407 0 40 EKAB Clc1ccc(CSc2nnc(NC3CCCCC3)s2)cc1 5752458 MGXFSFRQPNIUJN-UHFFFAOYSA-N 339.917 5.228 0 40 EKAB Cc1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 6479313 GEYWCFLBLFTUGA-UHFFFAOYSA-N 337.806 5.693 0 40 EKAB Cc1cccc(CSCC(=O)Nc2ccccc2-c2ccccc2)c1 7208821 MHYJNFFDYAHQJW-UHFFFAOYSA-N 347.483 5.534 0 40 EKAB Cc1ccc(CSCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 12568708 WFZYZVJQVJNRSU-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1C1CCCCC1 13942300 QBFCXWCZTRKKOV-NRFANRHFSA-N 330.431 5.046 0 40 EKAB Cc1cccc(/N=c2\scc(-c3cc4ccccc4o3)n2C2CC2)c1 14359821 LALXUBBSYHUXEP-DQRAZIAOSA-N 346.455 5.839 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1cccc2ccccc12 35193764 PLZIJELGFYSFPG-RIFZZMRRSA-N 325.452 5.849 0 40 EKAB CCCOc1ccc(Br)cc1CNc1cc(C)ccc1C 37215957 IPYOMBWZEIPGPF-UHFFFAOYSA-N 348.284 5.467 0 40 EKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3F)c2c1 46086020 GEIGDPYEQBRDHV-UHFFFAOYSA-N 341.382 5.312 0 40 EKAB CCOc1ccccc1-c1nnc(SCc2ccccc2Cl)o1 57557559 RPNMDQXKQCIYQC-UHFFFAOYSA-N 346.839 5.081 0 40 EKAB Cc1nc(C[S@@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)sc1C 87003553 RZFYWYHHLLIFKS-FVINQWEUSA-N 348.320 5.077 0 40 EKAB Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C)[nH]3)s2)cc1 95468316 HBAVVASVPWJHPW-UHFFFAOYSA-N 330.456 6.089 0 40 EKAB CCCCCc1ccc(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 100003917 PBPUQRRUUZVBDJ-GRGXKFILSA-N 334.547 7.770 0 40 EKAB Cc1cc(C)cc(CSCC(=O)NCc2ccc3ccccc3c2)c1 222748606 BCYNJRGVJLJVQI-UHFFFAOYSA-N 349.499 5.006 0 40 EKAB CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409118088 YVUAHTCMACWJHD-UHFFFAOYSA-N 349.430 5.498 0 40 EKAB Cc1cc(C)cc(C(N)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 642811014 ORRPOKNBHIHOPR-UHFFFAOYSA-N 343.514 5.788 0 40 EKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)(C)C 382459 GDWQZQPYHVIXAV-UHFFFAOYSA-N 345.870 5.434 0 40 EKAB Cc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 1400385 JEAYENXPINXUGH-UHFFFAOYSA-N 337.419 5.538 0 40 EKAB CC(C)Nc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 3104492 LDQGPWQZZFXLKY-UHFFFAOYSA-N 335.476 5.256 0 40 EKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 3514854 VZUPWNDNOLMQEY-VIFPVBQESA-N 344.625 5.053 0 40 EKAB C[C@@H](NCc1ccccc1OCc1ccc(F)cc1)c1ccccc1 4657442 NLPPMSWNUHXZOP-QGZVFWFLSA-N 335.422 5.256 0 40 EKAB CCc1nc(SCc2ccccc2C)c2oc3ccccc3c2n1 5556977 DQJZMQYLHHIIOZ-UHFFFAOYSA-N 334.444 5.539 0 40 EKAB Cc1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1 7684701 QOSVXYPHRYPYBR-UHFFFAOYSA-N 347.483 5.217 0 40 EKAB Clc1cccc(Oc2cccc(Nc3nc4ccccc4o3)c2)c1 13115389 FQLONZDIOXEPIV-UHFFFAOYSA-N 336.778 6.017 0 40 EKAB Cc1cccc(-n2ncc3c2C[C@@H](c2ccc(C(C)C)cc2)CC3=O)c1 20632812 LWVRFDCFDOOUBU-LJQANCHMSA-N 344.458 5.217 0 40 EKAB CCCCCCC(C)(C)c1cc(OC)c(/C=C\C(=O)O)c(OC)c1 33374223 UJYCGLMYDOOKND-KHPPLWFESA-N 334.456 5.050 0 40 EKAB CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1 36617494 OGIVQTSCSJBMCR-UHFFFAOYSA-N 332.325 5.348 0 40 EKAB CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1 41005138 MOQRZHOVEDIIJE-UHFFFAOYSA-N 344.414 5.208 0 40 EKAB Nc1ccc(Cl)c(-c2nc3cccc(Cc4ccccc4)c3o2)c1 57352786 FBBPNVDVTSSLDQ-UHFFFAOYSA-N 334.806 5.321 0 40 EKAB Cc1ccc(-c2csc(Nc3cccc(Cl)c3Cl)n2)cc1 67321663 VDPBHOXRIRKWLX-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CC/C=C/CC/C=C/CC[C@@H]12 108668976 LDWOCVLKNFPNQW-FOWGIPKUSA-N 345.486 6.107 0 40 EKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](c3ccccc3)CC[C@@H]1C(C)(C)O2 257308618 TXKDIDUBFORKLL-TUNNFDKTSA-N 336.475 6.190 0 40 EKAB O=C(Cc1cccc2ccccc12)NCc1ccc(-c2ccsc2)o1 575609818 HVCVWTNOGAAARW-UHFFFAOYSA-N 347.439 5.020 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/C/C=C\CCC(=O)OC 1559604248 VCDLWFYODNTQOT-YMQUTIPOSA-N 342.523 6.637 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(OC)c3)ccc21 2050679 ZDOCDDUODADRCW-UHFFFAOYSA-N 344.414 5.075 0 40 EKAB aggregator Cc1ccc2c(c1)/C(=C/c1ccc(Br)cc1)c1cccnc1-2 2054151 HVSIEFDVDMAVPE-XDHOZWIPSA-N 348.243 5.722 0 40 EKAB CC(C)C(NC(=O)CSCc1c(Cl)cccc1Cl)C(C)C 2179494 OKGHBWZMMCYAHY-UHFFFAOYSA-N 348.339 5.023 0 40 EKAB CSc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 2653812 HRIWPRGKDLXDLA-UHFFFAOYSA-N 333.865 5.529 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3ccc(C)cc3C)sc2c1 6241051 HCTUVZRTXKAXBL-UHFFFAOYSA-N 338.476 5.508 0 40 EKAB O=C(CNc1cccc2ccccc12)Nc1cccc2ccccc12 7955200 IKMDPGAEMPQKDW-UHFFFAOYSA-N 326.399 5.044 0 40 EKAB CCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1OCC 10000804 NCSKDTCYLUIPBG-UHFFFAOYSA-N 349.430 5.280 0 40 EKAB CC(C)Oc1ccc(-c2cn3nc(C4CCCCC4)sc3n2)cc1 40963776 WVVLICWDZOCJSR-UHFFFAOYSA-N 341.480 5.293 0 40 EKAB CC(C)(C)c1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1 57352799 PIGVAUBYVMATAI-UHFFFAOYSA-N 341.454 6.383 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1C 59351246 JHBICFBJBOYAIG-QZTJIDSGSA-N 347.458 5.101 0 40 EKAB c1ccc(CCCCCCCCCCc2nc3ccccc3[nH]2)cc1 71405983 HZTJIZRXRXGFSX-UHFFFAOYSA-N 334.507 6.469 0 40 EKAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222905554 YSEUSOUXQREYMS-HXUWFJFHSA-N 339.479 5.343 0 40 EKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 225369255 ICEAAXDSCPNWNT-UHFFFAOYSA-N 344.625 5.298 0 40 EKAB C[C@]12CC[C@@]3(CS3)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]21CS1 253505293 GIBFGVLFEQJQJA-KQBFAJRKSA-N 348.621 6.000 0 40 EKAB COc1ccc2c(C)c(-c3ccc(Cl)cc3Cl)c(=O)oc2c1 57996 DMVMLIXBJQKVOI-UHFFFAOYSA-N 335.186 5.084 0 40 EKAB biogenic Cc1ccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c(C)c1 115772 PCBCXRZRSNLRIJ-UHFFFAOYSA-N 348.471 5.243 0 40 EKAB Fc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 2266554 ONKHPMLXPWZQPD-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB CCCCSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 2287424 JFMHSZNJKRNVQB-LLVKDONJSA-N 349.569 5.317 0 40 EKAB Cc1sc2ncnc(N[C@@H](C)c3ccccc3)c2c1-c1ccccc1 2887005 HDWSMYIJSQLMKP-AWEZNQCLSA-N 345.471 5.840 0 40 EKAB Fc1ccc(COc2ccc3oc4c(c3c2)CCCC4)c(Cl)c1 3443152 VESAGZDQZWQEDV-UHFFFAOYSA-N 330.786 5.683 0 40 EKAB CCCOc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 3534006 UCODLXWEPHAHSK-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB Clc1nc(SCc2ccccc2)nc2c1sc1ccccc12 4092625 FSJYLFQWSONPLE-UHFFFAOYSA-N 342.876 5.790 0 40 EKAB COC(=O)c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1 4294188 RXCBCMRRLHUPBJ-UHFFFAOYSA-N 335.384 5.010 0 40 EKAB CCCCOc1ccc(/C=C/C(=O)OC[C@H](CC)CCCC)cc1 4775045 NWSWTXGGTKZDFO-NKAIQICCSA-N 332.484 5.638 0 40 EKAB Cc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 5460544 JODARZCEMDAPQP-IRLDBZIGSA-N 339.442 5.491 0 40 EKAB CC[C@H](C)NCc1c(OCc2ccccc2F)ccc2ccccc12 8326625 ZGLJVVAYNQPLJZ-INIZCTEOSA-N 337.438 5.446 0 40 EKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C1 12658938 JLMIEJPAIDUIPY-JPVZDGGYSA-N 344.326 5.005 0 40 EKAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13708646 CAVBGOLSRDLRJF-MRXNPFEDSA-N 349.430 5.033 0 40 EKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)oc2c1 14257918 QUGVRLBOWDGWDO-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1ccc(C(F)(F)F)cc1Cl 14258368 NKUVBAXQOKENFH-RMKNXTFCSA-N 325.717 5.011 0 40 EKAB Cc1cc(Br)ccc1NC(=O)Nc1cccc(Cl)c1 16282576 ZHFORTCZSCLLHY-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB SC1=NC2=C(CCC/C2=C\c2ccccc2)[C@@H](c2ccccc2)N1 18203810 OIWFTKSWHDPJCN-DQSGYLJSSA-N 332.472 5.138 0 40 EKAB aggregator Cc1nc2c(-c3ccccc3)cnn2c(N[C@H](C)c2ccccc2)c1C 27586203 DXKLTNFXNJAEQV-QGZVFWFLSA-N 342.446 5.186 0 40 EKAB Cc1cc2nc(Nc3nc4cc(Cl)ccc4s3)oc2cc1C 57352915 USLAMVZNOFJDJQ-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB CC(C)Sc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72217509 ALMATUGQBSPGPX-HNNXBMFYSA-N 336.501 5.044 0 40 EKAB C1C[C@@H]2C[C@H]1[C@@H]1SC(=C3S[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4S3)S[C@@H]12 104258052 AXKZAQWXUQRLEU-XZFDJGEYSA-N 340.604 5.407 0 40 EKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(C)=CC[C@]4(C)[C@H]3CC[C@]12C 118915190 OLUAAWREULLCHM-CPDXTSBQSA-N 330.512 5.517 0 40 EKAB CC/C=C/C/C=C\C/C=C/CCCCCCCCCCCC(=O)OC 256929783 RXNIYBHTXVTSAK-BQOJMOTRSA-N 348.571 7.309 0 40 EKAB C[C@H](Oc1ccccc1Cl)c1nc([C@@H]2C[C@H]2c2ccccc2)no1 512059779 SYIOOVDFWZMXPH-AEGPPILISA-N 340.810 5.134 0 40 EKAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccccc2)cs1 424856 VCMASONWDBFWPB-UHFFFAOYSA-N 339.803 5.237 0 40 EKAB c1cc2cccc3[nH]c(-c4nc5cccc6cccc([nH]4)c65)nc(c1)c23 1407225 HCULNKIOBCLKMQ-UHFFFAOYSA-N 334.382 5.413 0 40 EKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2sccc2c1 4496567 UPYDSUBPKRMGAM-UHFFFAOYSA-N 333.865 5.286 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3F)ccc21 4894820 LZCHIKQBDGDBHF-UHFFFAOYSA-N 332.378 5.206 0 40 EKAB CN(C(=O)Oc1c(Cl)cc(Cl)c2ccccc12)c1ccccc1 6420146 OSDONNCREOYFRL-UHFFFAOYSA-N 346.213 5.782 0 40 EKAB Cc1cc(C)c(NC(=O)CSCc2ccc(Cl)s2)c(C)c1 6586118 BTIONECIXNXQHZ-UHFFFAOYSA-N 339.913 5.199 0 40 EKAB COc1ccc(OC)c2nc(-c3ccc(C4CCCCC4)cc3)ccc12 6642407 OTTUEMXBMSUSAR-UHFFFAOYSA-N 347.458 5.967 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1F 6647581 OLENFEQQZNLLRT-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB CC[C@H](C)NCc1ccccc1OCc1ccc(Cl)cc1Cl 8326793 CNHDWLXDMZUQLE-ZDUSSCGKSA-N 338.278 5.461 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)c1csc(-c2ccsc2)n1 12749394 IIQIOZADHXUCGD-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1 17068213 SDRKZTNENZLOBY-UHFFFAOYSA-N 332.353 5.485 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Cl)c1C 20042799 SEDZOCRWTVYUSL-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB Cc1ccc(-c2nc3ccccc3c(=O)n2C2CCCCCC2)cc1 20799264 NILOFZYHEVKFJV-UHFFFAOYSA-N 332.447 5.267 0 40 EKAB CCCCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 54644556 HQMLZJCASIOPFB-UHFFFAOYSA-N 343.810 5.517 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C 59351251 ATZASXVYCXVEPI-ZWKOTPCHSA-N 347.458 5.101 0 40 EKAB CC[C@@H](C(=O)N(Cc1ccoc1)Cc1cccs1)c1ccccc1 90612108 SCCMEBPTLUYQQI-LJQANCHMSA-N 339.460 5.064 0 40 EKAB Fc1cc2c(Cl)c(Br)c(Cl)nc2cc1Cl 95098249 OMILNFARQFPIEE-UHFFFAOYSA-N 329.383 5.097 0 40 EKAB CC[C@H](c1ccc(F)cc1F)[S@@](=O)Cc1ccc(Cl)s1 95960692 NDIQWPADYUEXOI-ZUOKHONESA-N 334.840 5.080 0 40 EKAB C[C@H](N[C@H](C)c1ccc(-c2ccccc2F)s1)c1ccncc1 95967099 HYAFICGCVNBABQ-UONOGXRCSA-N 326.440 5.361 0 40 EKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Cl)c(C(F)(F)F)c1 102315110 XRXCJAUKWJDVQN-DCAQKATOSA-N 331.765 5.124 0 40 EKAB Cc1cccc(CSCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 222738947 UQJWWZKXYJQDSL-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223006769 LBIVZYQKLGOHLK-HNNXBMFYSA-N 341.882 5.029 0 40 EKAB COc1cc(C)c(C(=O)Nc2c(C)cccc2C(C)C)cc1C(C)C 225660435 SJANESITYMRWKA-UHFFFAOYSA-N 339.479 5.811 0 40 EKAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c2ccccc12 225801060 CLMMQFUBNIECQA-NRFANRHFSA-N 343.467 5.162 0 40 EKAB Cc1ccccc1C(=O)Nc1ccc2nc(SC(C)C)sc2c1 408750416 MOSRVBONPNAMLH-UHFFFAOYSA-N 342.489 5.358 0 40 EKAB Cc1cc(-c2ccccc2)nc(SCc2cccc3ccccc23)n1 409385844 NHXFVSYERLVCPC-UHFFFAOYSA-N 342.467 5.898 0 40 EKAB COc1ccc(-c2cc(C)nc(-c3ccc(OC)c(F)c3)c2)cc1F 178416 YVQDKKPSEQCCDP-UHFFFAOYSA-N 341.357 5.019 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 505762 OIMUWSZFNNQVCO-CYBMUJFWSA-N 331.843 5.179 0 40 EKAB CSc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccc2)n1 1889694 TYONMHJIYCPECA-UHFFFAOYSA-N 344.892 5.670 0 40 EKAB Cc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(O)cc23)c1 1972038 KLTWKAPUYIUWRT-BSYVCWPDSA-N 327.383 5.346 0 40 EKAB Cc1ccc2[nH]c(SCCCCOc3ccccc3C)nc2c1 2666051 FQMWGBYQYQRPAI-UHFFFAOYSA-N 326.465 5.131 0 40 EKAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c1 3458967 NIRGBOBZLSQRAY-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB CCCOC(=O)Nc1cc(-c2ccc(Cl)cc2)nc2ccccc12 4051428 BDZXEOZROYOOQO-UHFFFAOYSA-N 340.810 5.514 0 40 EKAB Cc1nc2c(cc(OCc3ccc(F)cc3)c3ccsc32)s1 6590269 HZMNSIRJEGMFOP-UHFFFAOYSA-N 329.421 5.538 0 40 EKAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)cc1 7945873 SRJOVZDODJJRQS-UHFFFAOYSA-N 337.806 5.095 0 40 EKAB CCCCCC(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C 9141163 TVHMNWXCSGFUHB-UHFFFAOYSA-N 336.435 5.630 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708492 NKKQGLVPVCWZJQ-MRXNPFEDSA-N 333.431 5.369 0 40 EKAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14397342 SGMVTEBWJXZSRO-MRXNPFEDSA-N 339.479 5.514 0 40 EKAB CCCCCn1c([C@H](C)NC(=O)c2ccccc2C)nc2ccccc21 27587745 MYMFIQCNEVKTME-KRWDZBQOSA-N 349.478 5.026 0 40 EKAB N=C1N(c2cc(Cl)ccc2Cl)Cc2ccccc2C12CCCC2 27986509 PKVTZYWPIJAGJI-UHFFFAOYSA-N 345.273 5.803 0 40 EKAB CC1(C)C(Cl)(Cl)C12[C@H]1CC[C@@H]2c2c(F)c(F)c(F)c(F)c21 71785917 AOLHYUUVKRWUMW-GDCRSALOSA-N 339.159 5.418 0 40 EKAB C[C@@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)[C@H](C)c1cccs1 95960714 HESYJLYCZDPFBB-WDEREUQCSA-N 348.411 5.004 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225746348 BRUBCHANNDUBIX-DYESRHJHSA-N 349.515 5.486 0 40 EKAB CCc1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 251983965 GSHYKUCPTGRELW-ZBWQPJPKSA-N 347.458 5.244 0 40 EKAB CC(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408571427 AXZZLHSCROIGAW-FYWRMAATSA-N 331.415 5.722 0 40 EKAB CC(C)c1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc1 477914 RWFKPFXSAGSOJP-BJMVGYQFSA-N 334.246 5.769 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3ccccc3F)sc2c1 2177833 UYLFVGLHVXLYBZ-UHFFFAOYSA-N 328.412 5.030 0 40 EKAB CCCCc1ccc(NC(=O)c2ccc(NC(=O)CCC)cc2)cc1 2191219 VHUKNZGCUOXDGK-UHFFFAOYSA-N 338.451 5.020 0 40 EKAB biogenic C[C@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ccccc1 3338664 NCXHLRKFAQVSMH-GOSISDBHSA-N 329.443 5.105 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3882018 ZSLFGNQZRMYDJQ-OQZMBBBRSA-N 344.539 5.151 0 40 EKAB biogenic Cc1cc2occ(CC(=O)OCc3cccc4ccccc34)c2cc1C 4493506 CHUNUCIRLKELDO-UHFFFAOYSA-N 344.410 5.489 0 40 EKAB CCSc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 5241077 UEGMNXQEHHPUBT-UHFFFAOYSA-N 346.502 5.236 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 6306994 DAAGNZCYECYEEQ-KBPBESRZSA-N 331.843 5.260 0 40 EKAB Cc1cccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)c1C 6334267 WPQKMWPKJNAOMT-UHFFFAOYSA-N 337.426 5.562 0 40 EKAB Cc1ccc(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 10702772 KENTVHOKXKKBBA-UHFFFAOYSA-N 343.470 5.075 0 40 EKAB C[C@]12CC[C@]3(CS3)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 14904284 NHSADEZTTCEMTD-SUDYFYTNSA-N 334.569 5.266 0 40 EKAB biogenic CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCCC1 20455308 ABDZDBRNBPQYLI-OAQYLSRUSA-N 339.479 5.226 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1Cl 20459856 OGOUVVBLFGPYBX-HNNXBMFYSA-N 349.883 5.248 0 40 EKAB Cc1cc(Br)c2oc(-c3ccc(C)c(Cl)c3)nc2c1 40542315 JWSVPKVGCGVQSG-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB Fc1ccc(-n2c(-c3ccccc3)cnc2SC2CCCC2)cc1 44086950 RIVJTBLJUMCXJN-UHFFFAOYSA-N 338.451 5.713 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC)c1ccccc1 59351718 YKZWIDFKDRLUQT-NHCUHLMSSA-N 347.458 5.265 0 40 EKAB O=C(CCc1ccccc1F)Nc1cc(C(F)(F)F)ccc1Cl 60514561 OOFZXEFAHFTLFC-UHFFFAOYSA-N 345.723 5.069 0 40 EKAB Clc1ccc(-c2nc(COc3ccc4ncccc4c3)co2)cc1 65206019 YHCKARHDGCYEDD-UHFFFAOYSA-N 336.778 5.122 0 40 EKAB O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206877820 DBVKMFDBYNYRGR-OAHLLOKOSA-N 349.808 5.028 0 40 EKAB C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccccc1 222681345 JNPQEUFGLNEION-AWEZNQCLSA-N 333.884 5.090 0 40 EKAB Cc1cc(C)c2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 248075866 IGJPANQVKYWNCK-JLVQQBGISA-N 347.458 5.298 0 40 EKAB Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)cc1 200577 AQZOUSJCGGBTKP-UHFFFAOYSA-N 342.446 5.572 0 40 EKAB CC(C)(C)c1cc2cccnc2n1Cc1cccc(C(F)(F)F)c1 1402664 JLENRBWAPKLXFX-UHFFFAOYSA-N 332.369 5.401 0 40 EKAB CC(C)c1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1 2298240 CIYSKMWPYWCMEO-KGENOOAVSA-N 341.410 5.308 0 40 EKAB CC(C)(C)c1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1 3104609 UEFLERUWJKLARE-UHFFFAOYSA-N 346.352 5.738 0 40 EKAB COc1ccc(C)cc1NC(=O)c1sc2ccccc2c1Cl 3567310 AARCWBJMBDYKRL-UHFFFAOYSA-N 331.824 5.124 0 40 EKAB CCC[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846415 GTJWLICNGQSVJA-VBSBHUPXSA-N 344.495 5.290 0 40 EKAB Cc1cccc(-c2nc3ccccc3n2CCOc2ccccc2C)c1 4317682 XAWSVDCVZKMTFS-UHFFFAOYSA-N 342.442 5.399 0 40 EKAB COc1cc2c(cc1NC(=S)Nc1ccccc1)oc1ccccc12 6713159 LFEUKLXAEYGBPH-UHFFFAOYSA-N 348.427 5.404 0 40 EKAB Fc1ccc(-c2cn3c4ccccc4n(Cc4ccccc4)c3n2)cc1 8464762 LWUXJRWWUMJHNT-UHFFFAOYSA-N 341.389 5.143 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1C 13930860 YMOOVQYOKSPGLU-GFCCVEGCSA-N 336.863 5.144 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1 30855229 HEMVNWWLKUEZLA-RDOKFVIMSA-N 333.475 5.191 0 40 EKAB Cc1ccc2c(CSc3ncc(-c4ccccc4)o3)cc(=O)oc2c1 65848900 ZMLKSWPMJODSCM-UHFFFAOYSA-N 349.411 5.049 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 110532885 CXNRHJXUBPSSBF-JTAQYXEDSA-N 333.475 5.298 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(C(C)C)cc2)cc1 113968812 MDNDFRZBDFMEOD-HXUWFJFHSA-N 325.452 5.169 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2Cl)c1 224891256 LKKQBUSHODDOJR-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB Cc1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225697485 USCJOTVVIQWXLJ-OAQYLSRUSA-N 346.499 5.379 0 40 EKAB CC(C)Oc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)F)c1 505989244 FZQFQMXJNSCAQU-UHFFFAOYSA-N 339.769 5.317 0 40 EKAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1 73690 AYVXSTQWLPUGKB-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB in-vivo Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1C 92251 XRWGBCWDBYXZLU-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB CC(C)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 183861 ZULNCFICSSPEQZ-UHFFFAOYSA-N 343.426 5.686 0 40 EKAB O=C(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 353722 GEWSWDQRMYUYDV-UHFFFAOYSA-N 337.831 5.783 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 505763 OIMUWSZFNNQVCO-ZDUSSCGKSA-N 331.843 5.179 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(Cl)c1)c1ccccn1 1463027 PQOSCKPYKZJOAU-NRFANRHFSA-N 347.849 5.726 0 40 EKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2C(=O)c2ccccc2-3)cc1 2549735 QNWYOLGAFPJQCK-UHFFFAOYSA-N 336.394 5.059 0 40 EKAB Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 3109060 TXRMPIINBWEEJO-UHFFFAOYSA-N 330.818 5.804 0 40 EKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 4666409 MWDDUNHGOIFPSH-AWEZNQCLSA-N 345.870 5.289 0 40 EKAB Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1 5959002 NIGIRVRWQYBGCN-UHFFFAOYSA-N 343.839 5.101 0 40 EKAB C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 6252435 IIGYPMBDDXQKIZ-UWXVCKHVSA-N 335.491 5.135 0 40 EKAB CCCCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 7261016 BXEMKCTXEOWGGF-UHFFFAOYSA-N 341.495 5.253 0 40 EKAB CCCCc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 7504909 DQGAVBQTTNRIGB-UHFFFAOYSA-N 336.479 5.272 0 40 EKAB Cc1nc(SCCCOc2ccccc2)cc(-c2ccccc2)n1 12016935 RAVNXNBRTUAPBM-UHFFFAOYSA-N 336.460 5.013 0 40 EKAB Cc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3C)C2)cc1 13623640 YAKBLUNQUMVLHL-FQEVSTJZSA-N 347.487 5.424 0 40 EKAB CCCC[C@H](C)CCOC(=O)/C=C/C(=O)OCC[C@@H](C)CCCC 16892564 CLGJLUYIBOKHCU-JWSDNSILSA-N 340.504 5.062 0 40 EKAB Cc1ccc(-c2nc(C)sc2NC(=O)c2ccc(Cl)cc2)cc1 27793409 GNBQKLSMINFXQH-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CC1(C)C[C@@H](NCCC2(c3ccc(Cl)cc3)CCCC2)CCO1 32071839 VMTXKFXPEAABJT-SFHVURJKSA-N 335.919 5.089 0 40 EKAB CC(C)c1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1 36617342 JCTOTRSKGYIYDW-UHFFFAOYSA-N 346.352 5.909 0 40 EKAB CC(C)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1 67339174 ITKHWPCKIOLXAK-CSKARUKUSA-N 339.822 5.862 0 40 EKAB CC(C)CN1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217624 SJAHENGLRKONMZ-IBGZPJMESA-N 326.509 5.416 0 40 EKAB O=[S@](Cc1ccccc1C(F)(F)F)Cc1cccc2ccccc12 84598484 UPFGZMPJMNVTHP-XMMPIXPASA-N 348.389 5.308 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccco1)c1ccccc1 223429446 QYZIOBSLAPWAOI-NBVRZTHBSA-N 325.452 5.151 0 40 EKAB Cc1csc(=Nc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 254700514 CJEWTGRSNCCLKG-UHFFFAOYSA-N 335.259 5.386 0 40 EKAB CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCC(=O)O 299888819 YUZXOJOCNGKDNI-UEMRNXMDSA-N 344.495 5.520 0 40 EKAB O=C(CSc1cccc2cccnc12)Nc1ccc2ccccc2c1 308446 IJWKTOLEUWMGOL-UHFFFAOYSA-N 344.439 5.119 0 40 EKAB CCN(CC)CCC[C@H](C)Nc1c(C)cnc2cc(Cl)c(C)cc12 1555461 VVPGOCHOGLCENW-INIZCTEOSA-N 347.934 5.427 0 40 EKAB Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1C 4979948 IISSVQPBTJAWAC-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB c1ccc2c(c1)ccn2Cc1ccc(Cn2ccc3ccccc32)cc1 5741292 HKLJVQZJQJAWRO-UHFFFAOYSA-N 336.438 5.693 0 40 EKAB Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 5772224 NIDSYCJILKJDNL-ZHACJKMWSA-N 328.824 5.186 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cc1c(F)cccc1Cl 7668984 UMQBAVCHZMNBAW-UHFFFAOYSA-N 347.861 5.907 0 40 EKAB COc1ccc(Nc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 7996849 FZLIGEJIMXAANG-UHFFFAOYSA-N 347.443 5.419 0 40 EKAB Cc1cccc(NC(=S)N(Cc2ccccc2)c2ccccc2)c1 13935946 LTVUEIAHSXSJQW-UHFFFAOYSA-N 332.472 5.399 0 40 EKAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 14256999 ZDSKALAEIWNMOE-HNNXBMFYSA-N 339.460 5.154 0 40 EKAB COc1ccc(-c2cc(C)nc(SCc3cccc(C)c3)n2)cc1 16349392 FXRLUYSUECBEFA-UHFFFAOYSA-N 336.460 5.061 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1C 38755063 VQQWGDAGTXUDPA-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB CCOc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 67321803 GZEXJPYSFXDULW-UHFFFAOYSA-N 330.840 5.606 0 40 EKAB CCCOc1c(Cl)cc(CNc2cccc(Cl)c2)cc1Cl 107604066 NDKGXMDLFBHRAE-UHFFFAOYSA-N 344.669 6.048 0 40 EKAB Cc1ccccc1[C@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225362958 IZACPAASLFTLRK-ZDUSSCGKSA-N 336.262 5.112 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)c1 225537957 ORPBMCMAVPLFPO-INIZCTEOSA-N 342.508 5.138 0 40 EKAB C[C@@H](CC(=O)c1c(F)cc(Br)cc1F)CC(C)(C)C 575362572 ZVUUJSOJSOCHQN-VIFPVBQESA-N 333.216 5.372 0 40 EKAB Cc1c(NC(=O)c2ccccc2)cccc1-c1nc2ccccc2s1 106094 SDOKSCCTCSYECF-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1Cl 2649594 YGYZZULFXGOUSZ-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 4675544 JISXKJYYPWUNSF-UHFFFAOYSA-N 343.883 5.398 0 40 EKAB COc1ccc(-c2cn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 4888964 UWWCUAHFGQVUSS-UHFFFAOYSA-N 342.442 5.420 0 40 EKAB CCc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc12 5533296 PZXZDCDPFYMOTF-UHFFFAOYSA-N 342.398 5.357 0 40 EKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)-c1ccccc1C2 5938043 AUHZONNGEFCZCA-UHFFFAOYSA-N 334.806 5.555 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 6602292 VHIKTELNFBMRMJ-MRXNPFEDSA-N 325.452 5.341 0 40 EKAB Cc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)cc1 7847880 QJOYWKVHVURCQB-UHFFFAOYSA-N 347.820 6.670 0 40 EKAB CCCCC/C=C\C/C=C\CCCCCCCC1=N[C@@](C)(CO)CO1 17148016 NYSIRRGURPKWBW-HOAWFJNZSA-N 349.559 5.980 0 40 EKAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 22513100 BMFWGOIUPMYZMG-QAPCUYQASA-N 345.870 5.011 0 40 EKAB CCc1ccccc1NC(=O)c1cc(C)n(Cc2cccs2)c1C 32738052 XAKCEMGAVZLGDF-UHFFFAOYSA-N 338.476 5.029 0 40 EKAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2ccsc2)S1 71286551 SQAVPUNBGHDNMW-HNNXBMFYSA-N 347.509 5.432 0 40 EKAB Brc1ccc(-c2cc(-c3cc4ccccc4o3)n[nH]2)cc1 216696313 HOVDDVVNKQYUNI-UHFFFAOYSA-N 339.192 5.252 0 40 EKAB COc1ccc([C@H](CC(C)C)NC(=O)Nc2ccc(Cl)cc2)cc1 222635249 XAGXETKZBPWIDP-SFHVURJKSA-N 346.858 5.258 0 40 EKAB CCCCC/C=C\C/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC 299888765 WTKAVFHPLJFCMZ-NOMXMWSASA-N 332.484 5.292 0 40 EKAB CC1(C)CCc2ccccc2[C@H](NCc2cnc(O)c3ccccc23)C1 1645397206 FXEYQYVLRNKEGH-OAQYLSRUSA-N 346.474 5.134 0 40 EKAB COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 85063 GEGUQFPCCXQITE-JOCHJYFZSA-N 345.467 6.053 0 40 EKAB Cc1cc2nc(Nc3nc4c(Cl)cccc4s3)[nH]c2cc1C 382817 ZFHPBCTTXJPCSX-UHFFFAOYSA-N 328.828 5.186 0 40 EKAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 484110 ODZBMQCZYLMEHC-FUHIMQAGSA-N 339.504 5.025 0 40 EKAB O=C(c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C1CC1 573741 GQOUQSNDRGLKIJ-UHFFFAOYSA-N 344.241 5.589 0 40 EKAB Cc1ccc2oc(-c3cc(Cl)cc4c3OCOC4)cc(=S)c2c1 1238741 BOKPUODWQQJMOU-UHFFFAOYSA-N 344.819 5.658 0 40 EKAB CC(C)=C[C@H]1[C@@H](C(=O)OCc2ccc(Cl)c(Cl)c2)C1(C)C 1597471 PPTXHTFTKUWKRN-WFASDCNBSA-N 327.251 5.275 0 40 EKAB CCc1ccccc1SCc1c(-c2ccccc2)nn(C)c1Cl 3047456 GASLAUVKWNACHM-UHFFFAOYSA-N 342.895 5.595 0 40 EKAB FC(F)(F)c1cnc2c(-c3ccc(Cl)cc3Cl)noc2c1 3134958 JGHPMBWPEMGGNO-UHFFFAOYSA-N 333.096 5.215 0 40 EKAB Clc1ccccc1N1N=C(c2cccs2)C[C@@H]1c1ccccc1 4154937 XRFVEJZGQDMQPV-GOSISDBHSA-N 338.863 5.757 0 40 EKAB CC(C)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 5413947 OYKMILMUYOLFOI-UHFFFAOYSA-N 343.470 5.848 0 40 EKAB CC(C)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 6028988 FWVLFUPNNDBUCN-UHFFFAOYSA-N 349.459 5.634 0 40 EKAB Cc1ccc(Sc2ncccc2C(=O)N[C@@H](C)c2ccccc2)cc1 6865056 FNFLQRYIUYEKIM-INIZCTEOSA-N 348.471 5.032 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1cccc(F)c1 7669029 VDFQJVJSMUFTHF-VAWYXSNFSA-N 325.427 5.724 0 40 EKAB Brc1ccc(SCc2ncc(-c3ccccc3)o2)cc1 7778885 MHDKSQDTVDLCSI-UHFFFAOYSA-N 346.249 5.396 0 40 EKAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 10494441 DVIVTRWWEMTRIM-MGPUTAFESA-N 336.435 5.190 0 40 EKAB CCCCCn1cc(Cc2ccc(C)c3ccccc23)c2ccccc21 13476521 FSOLXFPDIJJWBM-UHFFFAOYSA-N 341.498 6.884 0 40 EKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc2ccccc2c1 14396774 IIMVIIAQXUCNFO-UHFFFAOYSA-N 339.822 5.291 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccccc1 30752337 WACWOYZAQPFHFK-QZTJIDSGSA-N 347.911 5.478 0 40 EKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCc2ccccc21 32760875 YQUMNCLGTLEORB-DNVCBOLYSA-N 333.431 5.072 0 40 EKAB Cc1nc2cc(NC(=O)Nc3cccc4ccccc34)ccc2s1 34372834 USBQLKQAUQKJCX-UHFFFAOYSA-N 333.416 5.402 0 40 EKAB Cc1nc2ccccc2nc1CSC1=Nc2ccccc2CS1 45494319 QPBRRDORQJJUQY-UHFFFAOYSA-N 337.473 5.106 0 40 EKAB O=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1C(F)(F)F 51354229 ISAKQRCYEILCKX-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB O=C1c2ccccc2C(=C2C=Cc3ccccc3C=C2)c2ccccc21 68603990 NDDKSYPGABBXBG-UHFFFAOYSA-N 332.402 5.773 0 40 EKAB C(/C=C\c1ccc(/C=C\C=C/c2ccccc2)cc1)=C/c1ccccc1 71782793 RDXVBJMYWDYESH-WCQNVVTFSA-N 334.462 7.140 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4o3)cc2)cc1 72193646 QLSWVYQCSZQIIU-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB COc1ccc(-c2[nH]c3ccc(OCc4ccccc4)cc3c2C)cc1 141006433 RDKVIVAZGDWOOR-UHFFFAOYSA-N 343.426 5.731 0 40 EKAB COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 216814054 TXZQJKUJVWIRBB-UHFFFAOYSA-N 345.609 5.012 0 40 EKAB COc1cc(C)c(C(=O)Nc2cccc(Cl)c2C)cc1C(C)C 225657552 ASGFIWLMKGGAND-UHFFFAOYSA-N 331.843 5.341 0 40 EKAB Cc1ccc(-c2nc(=Nc3ccccc3)sn2-c2ccccc2)cc1 254626669 ABAQLLBBDUFNCN-UHFFFAOYSA-N 343.455 5.142 0 40 EKAB CSc1ccccc1C(=O)N[C@@H](c1ccsc1)c1cccs1 390826328 IFKOITRNIBOYJZ-INIZCTEOSA-N 345.514 5.051 0 40 EKAB C[C@H](CN(CCNc1ccccc1)c1ccccc1)c1ccccc1 1735216 SZFCYPBEVUFYRF-HXUWFJFHSA-N 330.475 5.409 0 40 EKAB Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C)c3)s2)c1 1751057 VJSFLQGDRZAFLW-MDZDMXLPSA-N 348.471 5.003 0 40 EKAB Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1 2521617 PQHZWWBJPCNNGI-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(Br)cc1 3159022 SIVQKMDMFKXZNV-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB C/C(=C\C=C\c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3845758 QISFQSCEYMPVBC-DJQSGRBJSA-N 326.480 5.650 0 40 EKAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)oc1C 5033280 OIZIGXUSKWOZTF-UHFFFAOYSA-N 325.795 5.469 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc3ccccc23)ccc1Cl 5779241 PDSSCSBBCMXPDM-CQSZACIVSA-N 339.822 5.208 0 40 EKAB CC[C@H](NCc1cc(C)c(OC(F)F)c(C)c1)c1ccc(OC)cc1 8395604 SLCALPRZNJNJMM-SFHVURJKSA-N 349.421 5.154 0 40 EKAB CC(C)c1ccccc1NC(=O)c1occc1COc1ccccc1 11368412 MLMSKIXDUDTFAI-UHFFFAOYSA-N 335.403 5.234 0 40 EKAB Cc1ccc([C@@H](Nc2ncnc3ccsc23)c2cccs2)cc1 12895246 OCPMQSSCZUNIBE-MRXNPFEDSA-N 337.473 5.263 0 40 EKAB Cc1ccccc1[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1 12945719 TVNFCTRSADKHKJ-SFHVURJKSA-N 347.443 5.255 0 40 EKAB c1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1 13646829 KACQQKWMCJWUHB-FCQUAONHSA-N 337.382 5.209 0 40 EKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 13710308 LLCJPWDGGBTLTL-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(Cl)c1Cl 13994860 DCNUMECGLBPWIO-AWEZNQCLSA-N 338.234 5.098 0 40 EKAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 14268912 WWCZZEPQJSQRCK-QGZVFWFLSA-N 336.479 5.441 0 40 EKAB O=C(/C=C/c1cccs1)Nc1ccccc1SCC(F)(F)F 14900898 MRINXMIZSHVRJT-BQYQJAHWSA-N 343.395 5.054 0 40 EKAB CN(C(=O)c1ccccc1)[C@@H](c1ccccc1)c1c[nH]c2ccccc12 15670853 BADJSIINBZIQES-QFIPXVFZSA-N 340.426 5.030 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCCC1 20046182 IRRHTVGOCFWOAD-HXUWFJFHSA-N 339.479 5.226 0 40 EKAB Cc1c(C(=O)N2CCC[C@@H]2c2cccs2)sc2ccccc12 24831870 DBYWSNPTRDRIEZ-CQSZACIVSA-N 327.474 5.249 0 40 EKAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)CCCC2 25449814 XGZFCHUAXOZFNT-CYBMUJFWSA-N 347.380 5.075 0 40 EKAB CSc1ccccc1NC(=O)CCSC/C=C/c1ccccc1 32778726 GNJCOEFNJDZKKW-JXMROGBWSA-N 343.517 5.184 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=C5C=CC=C5)CC[C@]34C)[C@@H]1CC[C@H]2O 118927262 OYOVFIJVSKWVLT-YWOCSSPDSA-N 338.535 5.813 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2c(CC)cccc2CC)cc1 222882789 OLSILWJFLOGDEC-HXUWFJFHSA-N 339.479 5.170 0 40 EKAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C 225659995 VKPUCLHHMAMDEJ-UHFFFAOYSA-N 347.499 5.242 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(C)c(C)c1 225711240 OKXVYCWAJDFACC-QGZVFWFLSA-N 334.435 5.019 0 40 EKAB CC(C)(C)NC(=S)Nc1ccc(Oc2ccccc2Cl)cc1 408587398 UULXATYFWCYWPS-UHFFFAOYSA-N 334.872 5.217 0 40 EKAB CCCCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 409218051 SIMDJAJWILQECN-JYRVWZFOSA-N 344.263 5.220 0 40 EKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3O)o2)cc1 411884 SKCKQCCCZIRJJU-UHFFFAOYSA-N 340.448 5.032 0 40 EKAB CC(C)(C)c1cc(-c2nnc(-c3ccccc3)o2)cc(C(C)(C)C)c1 2304656 UUJBZLPPGAETGU-UHFFFAOYSA-N 334.463 5.999 0 40 EKAB O=C(CCc1cccc(Br)c1)c1ccc(F)c(Cl)c1 2516721 FVYYNBGXRAFGPU-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB Cc1ccc2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc2c1C 4275361 OODALFNOZKLLNO-UHFFFAOYSA-N 338.476 5.463 0 40 EKAB CCCC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](CC)C(=O)C[C@H]1c1ccccc1 5707116 UXCXYEFGTCWSBA-TZYAJKAJSA-N 348.486 5.538 0 40 EKAB COc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 12971042 RNMULFKCEYBHDV-UHFFFAOYSA-N 339.398 5.387 0 40 EKAB Cc1ccc([C@H](NC(=O)Nc2ccc(F)cc2)c2cccs2)cc1 12980574 RNKOKHNVSOIQKB-SFHVURJKSA-N 340.423 5.107 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 14006956 VKGQGUMWYKWQOH-VIFPVBQESA-N 344.625 5.053 0 40 EKAB C[C@H](CC(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1 17380417 FNVPWJCKNPMUII-GOSISDBHSA-N 330.427 5.132 0 40 EKAB CCN(CC)c1ccc(NC(=O)Nc2cccc3ccccc23)c(C)c1 19074649 JOGSUPJQAPRLGZ-UHFFFAOYSA-N 347.462 5.638 0 40 EKAB Cc1cc(C)c(NC(=O)c2cc3cc(C)ccc3nc2C)c(Cl)c1 32854552 LDOVOOZMIKBILE-UHFFFAOYSA-N 338.838 5.374 0 40 EKAB Cc1cc(Nc2ccc(Cl)cc2)n2nc(-c3ccccc3)c(C)c2n1 40216597 ASLHAWNPOBLVQH-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB C[C@@H](Nc1nc(N2CCCCCC2)nc2ccccc12)c1ccccc1 41153923 AOGPCTBPDYKBMO-QGZVFWFLSA-N 346.478 5.183 0 40 EKAB C[C@H]1C[C@@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1 95117633 LCYCPCASWDKMMA-HTAPYJJXSA-N 342.442 5.279 0 40 EKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C)c1 96652037 HKZZJHIADUJWIG-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB COc1cc(Br)c2[nH]c(-c3ccc(C(C)C)cc3)nc2c1 216912844 LYUWXTGYSLCZHI-UHFFFAOYSA-N 345.240 5.124 0 40 EKAB CCSc1ccccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219645605 ZZPBQRTYHCCGDR-OAHLLOKOSA-N 341.520 5.587 0 40 EKAB C[C@@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2039067022 ZWJSLCYDYKYAGX-YLSIGKLCSA-N 346.599 6.444 0 40 EKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 72577 IGARBEBFSFCTHZ-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2sccc2C)cc1 92123 PGNGVHYRYQCUHH-IBGZPJMESA-N 334.444 5.136 0 40 EKAB c1coc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)c1 1463271 OXGGEQXKVAINQP-IIBYNOLFSA-N 331.440 5.810 0 40 EKAB Cc1ccc(-c2nnc([C@H](c3ccccc3)N3CCCCCC3)o2)cc1 3087161 LIRZCVWICQXUIB-FQEVSTJZSA-N 347.462 5.010 0 40 EKAB CN(Cc1ccccc1)c1ncnc2scc(-c3ccc(F)cc3)c12 3351380 XGRDZGRRLDLTTR-UHFFFAOYSA-N 349.434 5.134 0 40 EKAB C[C@@H]1C[C@@H](C)CN(CCCCCCOc2cccc3ccccc23)C1 4837105 PURCLIABRYQFOP-WOJBJXKFSA-N 339.523 5.757 0 40 EKAB Cc1cccc(-c2nnc([C@H](C)Oc3cc(Cl)ccc3Cl)o2)c1 6551691 GZFJLVXUXIECTE-NSHDSACASA-N 349.217 5.492 0 40 EKAB CC(C)(C)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 6647944 YALUDTHTCXJOJL-UHFFFAOYSA-N 347.911 5.758 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 10111762 UAAPIZMRDBYNIE-HZPDHXFCSA-N 341.520 5.342 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 20044285 RVWZFVXHNURNDL-GOSISDBHSA-N 345.442 5.065 0 40 EKAB Clc1ccc(-c2csc3ncnc(Oc4cccnc4)c23)cc1 24657377 WFOMHEBIGULSMS-UHFFFAOYSA-N 339.807 5.199 0 40 EKAB Cc1ccc(-c2csc(S[C@H](C)c3nc(C(C)C)no3)n2)cc1 27774213 BMEAYOKDQDRPDV-GFCCVEGCSA-N 345.493 5.478 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3cccc(C)n23)c1 35616292 ZIVCALFTZJZVKZ-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB CCCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](OC)CC[C@H]12 45108156 IUWKNLFTJBHTSD-AHJNKEMKSA-N 328.496 5.347 0 40 EKAB FC(F)(F)Oc1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 71326272 ZBNQVNDGZHDTRK-UHFFFAOYSA-N 346.761 5.048 0 40 EKAB Fc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)c(Cl)c1 71761740 NQZLPWFDIWGGKG-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB O=C(CCCc1ccc(Cl)cc1)N1CCC[C@H]1c1cccc(F)c1 84372334 AQASZEZNAJCWHI-IBGZPJMESA-N 345.845 5.166 0 40 EKAB O=C(Cc1cccc(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 222618306 HVORMKHMQUAKEC-UHFFFAOYSA-N 348.151 5.193 0 40 EKAB CCc1ccc(CCC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 223104978 NVDGHFYQYYPTNJ-QHCPKHFHSA-N 349.518 5.328 0 40 EKAB Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 256027810 DBAKTLSSAVJWAQ-UHFFFAOYSA-N 330.818 5.804 0 40 EKAB O=C(Cc1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575361393 ZOTRXKBPIJTGPH-UHFFFAOYSA-N 338.272 5.211 0 40 EKAB CCc1c(C)c2ccc(OCc3ccc(Cl)cc3)c(C)c2oc1=O 549336 KOWGLLFFUGOPQH-UHFFFAOYSA-N 342.822 5.205 0 40 EKAB CC(=O)N(Cc1cc2cc(C)cc(C)c2nc1Cl)C1CCCCC1 1238260 XICCGCMGORHYGS-UHFFFAOYSA-N 344.886 5.186 0 40 EKAB CCN(CC)CCCCCCNc1cccc2c(Cl)ccnc12 1683569 SXASKMPTHMUDTD-UHFFFAOYSA-N 333.907 5.202 0 40 EKAB O=C(CCc1ccc(Br)cc1)c1ccc(Cl)c(F)c1 2516772 RQTPTDBBGGOMDI-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB CC[C@H](C)c1ccc(-c2ccc(-c3ccc([C@@H](C)CC)cn3)cc2)nc1 3108570 SLWWKRZDQOYQSJ-ROUUACIJSA-N 344.502 6.838 0 40 EKAB CCCCN[C@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 5783741 NIXHDTOXNDROPU-HNNXBMFYSA-N 332.538 5.025 0 40 EKAB Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(Cl)c1 6272425 KWJGJKFYMVLGTJ-UHFFFAOYSA-N 336.243 5.769 0 40 EKAB Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1Cl 7402329 DPDVVHKUTMJHLT-UHFFFAOYSA-N 348.880 5.394 0 40 EKAB Cc1csc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccs2)n1 9303800 YBOLLYKBLVOEEN-HNNXBMFYSA-N 343.452 5.008 0 40 EKAB Cc1cc(C)n2c(nc3ccccc32)c1-c1nc2ccccc2s1 12590420 YFWOEBCVUDGRDZ-UHFFFAOYSA-N 329.428 5.381 0 40 EKAB FC(F)(F)c1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1 12635528 AOAINADUJNUCPO-UHFFFAOYSA-N 349.355 6.588 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 20044287 RVWZFVXHNURNDL-SFHVURJKSA-N 345.442 5.065 0 40 EKAB Cc1cc(C)c(C)c(OCC(=O)Nc2c(C)cccc2C(C)C)c1 22905783 XZMMCIIXJLULCY-UHFFFAOYSA-N 325.452 5.061 0 40 EKAB CC(=O)Nc1ccc(-c2nc(-c3cc(C)ccc3C)c(C)s2)cc1 40051925 OBILBYIAKJHSAS-UHFFFAOYSA-N 336.460 5.361 0 40 EKAB Clc1ccccc1COc1cccc(-c2nc3ccccc3[nH]2)c1 41005193 VWTBFMPYDABGAV-UHFFFAOYSA-N 334.806 5.462 0 40 EKAB CCCCc1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 58716463 INAYDYRHFDVHJO-UHFFFAOYSA-N 336.863 5.631 0 40 EKAB COc1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1 84148741 RPJUIVGBEVYKBN-OXQOHEQNSA-N 338.451 5.009 0 40 EKAB CC[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(C)c(C)c1 218999552 GNWLSVXXSCHESC-HXUWFJFHSA-N 341.520 5.194 0 40 EKAB FC(F)(F)c1ccc(NC(=S)NC2CCCCCCC2)cc1 225517465 AQGGPWJYSUUECR-UHFFFAOYSA-N 330.419 5.105 0 40 EKAB CCc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225658954 CKFDFTGHLZUVRT-MRXNPFEDSA-N 340.536 5.292 0 40 EKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)c1 225932247 XNMYYNDYLYAWRC-UHFFFAOYSA-N 343.854 5.108 0 40 EKAB CC(C)=C[C@H]1[C@H](C(=O)SCc2ccc(Cl)cc2Cl)C1(C)C 1665536 DKROSXYTKBNUJH-DZGCQCFKSA-N 343.319 5.992 0 40 EKAB O=C1O/C(=C/Oc2cc(Cl)c(Cl)cc2Cl)c2ccccc21 4472684 KUIMTWKCSUPWTI-VGOFMYFVSA-N 341.577 5.195 0 40 EKAB CCCCCCC(=O)OC[C@@H](CCCCC)[C@H](O)CCCCCC 4775050 HSGDEAZAEPDKAI-WOJBJXKFSA-N 342.564 6.028 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1cccs1 12913934 XSTKZOSAOUEBLC-QGZVFWFLSA-N 342.851 5.313 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H]2CCCC[C@@H]2C1 16385374 YBPWSZIAWJLJCC-VXGBXAGGSA-N 327.255 5.037 0 40 EKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1C 27583533 XDXIOXVSEOWENE-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)cc(C)c1 30853148 HOOJVZQZELFWDZ-OAQYLSRUSA-N 333.431 5.253 0 40 EKAB Cc1ccc(Nc2nc(CN[C@H](C)c3ccccc3F)cs2)cc1 32665019 YFNITCKKWKBGHS-CQSZACIVSA-N 341.455 5.185 0 40 EKAB Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1c1cccc(F)c1 48261304 YYNPBUMQBIIOQJ-HXUWFJFHSA-N 336.410 5.126 0 40 EKAB CSc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 51354208 QNJLOOAUSFBEEZ-UHFFFAOYSA-N 326.343 5.071 0 40 EKAB COc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 96171222 HEOGJZFUBNTVNG-UHFFFAOYSA-N 344.720 5.011 0 40 EKAB CCc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 102644446 BGIWTANGNMTPFP-QFIPXVFZSA-N 346.474 6.120 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl 222905854 AMGSUOMTUCEWTR-GOSISDBHSA-N 345.870 5.434 0 40 EKAB Clc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 144613 VRWVIFHCKUXVMD-IBGZPJMESA-N 331.806 5.329 0 40 EKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1 3367672 SYJDUWTUUYZSHM-YWZLYKJASA-N 337.463 5.761 0 40 EKAB C[C@@H]1CC[C@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 3999081 VAABMKSTVWFIJI-HOYKHHGWSA-N 344.502 5.193 0 40 EKAB biogenic CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1 4144804 WFDNUWQXHLQXGP-LFYBBSHMSA-N 344.252 5.224 0 40 EKAB Clc1ccccc1[C@@H]1CC(c2ccccc2)=Nc2ccccc2N1 5022606 VHLSWCZDXQVULU-NRFANRHFSA-N 332.834 6.018 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1C 5511912 IDUGAECJQKDCKH-UHFFFAOYSA-N 325.795 5.063 0 40 EKAB CC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 6692523 VLXLJJZSTMSYKO-HSZRJFAPSA-N 340.426 5.305 0 40 EKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCC 6959706 CXFLOYCDXNZRFC-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB Cc1cccc(C)c1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 8071934 GWIGEUQPQBTDJQ-UHFFFAOYSA-N 339.479 5.397 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1cc(Cl)ccc1C 8382857 YNIDTWLTFHLJFI-UHFFFAOYSA-N 339.822 5.453 0 40 EKAB Fc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 12374227 CJEFBPQDQZZEJI-LYBHJNIJSA-N 349.792 6.125 0 40 EKAB Cc1ccccc1/N=c1\scc(-c2ccc(F)cc2)n1CC(C)C 12622264 XHLBBCZVVMCAKZ-XDOYNYLZSA-N 340.467 5.553 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1 13688219 SZBXIXXVARPYJS-UHFFFAOYSA-N 335.834 5.378 0 40 EKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20456676 PZEAXQCQMKZSCI-OXQOHEQNSA-N 339.479 5.019 0 40 EKAB Cc1nc(Sc2nc(-c3ccccc3)c3ccccc3n2)oc1C 32906775 XTJQQKZASJMUSW-UHFFFAOYSA-N 333.416 5.053 0 40 EKAB CCSc1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 44848409 GTOVWBNYBHFPFP-UHFFFAOYSA-N 340.492 5.041 0 40 EKAB C[C@H](Nc1ccc(NC(=O)c2ccc[nH]c2=S)cc1)c1ccccc1 50005241 STDQDMBOGRNWGZ-AWEZNQCLSA-N 349.459 5.170 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1sccc1-c1ccc(F)cc1 58024386 VNUWSCVVAKQNEM-UHFFFAOYSA-N 331.799 5.460 0 40 EKAB Clc1cc(Cl)c2[nH]c(-c3cccc(Br)c3)nc2c1 216914032 HEOUDQQANJHDGH-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1 225374174 OAFCXZSZIQWBIE-KRWDZBQOSA-N 336.262 5.194 0 40 EKAB Cc1cc(-n2cccc2)cc2nc(-c3cc(Cl)ccc3Cl)oc12 226247842 PEINTYNUFGGVLH-UHFFFAOYSA-N 343.213 5.901 0 40 EKAB O=C(Nc1ccccc1)c1ccc(CSCc2ccccc2)cc1 408767881 QGSIGILYZYZQBI-UHFFFAOYSA-N 333.456 5.372 0 40 EKAB CCOc1ccc(NCc2ccccc2OCc2ccccc2)cc1 409109595 HYOJZLAAKFNRDE-UHFFFAOYSA-N 333.431 5.276 0 40 EKAB CC[C@H](C(=O)c1cccc(OCc2cccc(F)c2)c1)c1ccccc1 575357758 VUHWUTAXRDMFEI-QFIPXVFZSA-N 348.417 5.781 0 40 EKAB c1ccc(-c2cccc(Nc3ccc4c(c3)oc3ccccc34)c2)cc1 1857794039 ZMVCBGDQPGHDFF-UHFFFAOYSA-N 335.406 6.997 0 40 EKAB COc1ccc(Oc2cccc3c2C(=O)C[C@@H]3c2ccccc2)cc1 1403137 BZSASGNINFYCBN-LJQANCHMSA-N 330.383 5.206 0 40 EKAB Cc1nc(Nc2ccc(F)cc2)c2c(C)c(Cc3ccccc3)[nH]c2n1 1584921 ONIBNFDXXXWSMF-UHFFFAOYSA-N 346.409 5.048 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1CC1[C@@H](C)CC(C(C)(C)C)C[C@H]1C 1719231 ZSPUXNPPFAIXNL-UJKXBYJESA-N 342.611 7.488 0 40 EKAB COc1ccc([C@@H](CCN[C@@H](C)c2ccc(Cl)cc2)C(C)C)cc1 2213957 CAHWGTXKPSGYFT-KKSFZXQISA-N 345.914 5.829 0 40 EKAB CCCCOc1ccc(N[P@](C)(=O)Oc2ccc(CC)cc2)cc1 3212745 USYXIQYJDOOVDN-XMMPIXPASA-N 347.395 5.742 0 40 EKAB CCC[C@H](C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846416 GTJWLICNGQSVJA-LMCOJAPRSA-N 344.495 5.290 0 40 EKAB CC(C)CCNc1nc(-c2ccccc2)nc2c1oc1ccccc12 5151135 DKLNMMBRIIIQJF-UHFFFAOYSA-N 331.419 5.501 0 40 EKAB Cc1cc2cc(CNc3cccc(Cl)c3Cl)c(=O)[nH]c2cc1C 12493439 PPNYZAHVEKSJDY-UHFFFAOYSA-N 347.245 5.064 0 40 EKAB Cc1cccc(Nc2ncccc2C(=O)Nc2ccc(Cl)cc2)c1 22072286 PIZNCXVXLMCOOE-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@@]12C 36371233 LFDDUQXVBIIJBD-AHFPVOCUSA-N 344.583 6.529 0 40 EKAB CC(=O)c1cccc(Nc2nc(-c3ccc(F)c(C)c3)c(C)s2)c1 67322004 WMVZACSBEKZTNV-UHFFFAOYSA-N 340.423 5.512 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl 98072794 QOAYXUPCEFCJME-UHFFFAOYSA-N 349.139 5.656 0 40 EKAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1C 408586250 MEKLEXBLTURDKM-UHFFFAOYSA-N 338.234 5.343 0 40 EKAB CCCN(CCC)[C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1 408734100 JJSUQQZWYJADRY-IBGZPJMESA-N 344.886 5.142 0 40 EKAB Cc1cc2nc(SCc3ccc(Cl)c(Cl)c3)[nH]c2cc1C 408974917 FQONAJFKSVOSSJ-UHFFFAOYSA-N 337.275 5.779 0 40 EKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 73519 WADQKVONMGNHIV-KRWDZBQOSA-N 339.479 5.315 0 40 EKAB Cc1ccc(C)c(NC(=O)c2cc3sc4ccccc4c3s2)c1 548995 OURKRNVQICFPDL-UHFFFAOYSA-N 337.469 5.985 0 40 EKAB Cc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)c(C)c1 1250523 BACYLZGDOUPUIV-UHFFFAOYSA-N 341.414 5.363 0 40 EKAB Cc1[nH]c2ccccc2c1C(=O)CSc1cc(C)c2ccccc2n1 1465373 YNTJEDLJRKCOTJ-UHFFFAOYSA-N 346.455 5.308 0 40 EKAB COc1ccc(NC(=O)Oc2c(C(C)C)cccc2C(C)C)cc1 1640178 ZNIGBWKWTCXNPK-UHFFFAOYSA-N 327.424 5.553 0 40 EKAB Cc1ccc(CC(=O)Nc2ccccc2Cc2ccccc2)cc1C 3459704 ZYNMIQPPYPBFDU-UHFFFAOYSA-N 329.443 5.075 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2ccc(C)cc2)nc2ncccn12 4734290 JKFAQPYPYSCDEE-UHFFFAOYSA-N 342.446 5.319 0 40 EKAB CCCCCCC(=O)OC[C@H](CCCCC)[C@H](O)CCCCCC 4775048 HSGDEAZAEPDKAI-VQTJNVASSA-N 342.564 6.028 0 40 EKAB CC(C)CC[C@H](CCNCc1cccs1)[C@H]1CCOC(C)(C)C1 5205128 ANGFVBLURPTQHP-MSOLQXFVSA-N 337.573 5.485 0 40 EKAB CCCC[C@H](Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 5573059 JVMFTQLUKCGJCG-INIZCTEOSA-N 336.472 5.009 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)o1 7967655 GBIZFXFIDXPHMT-UHFFFAOYSA-N 338.388 5.018 0 40 EKAB Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)s1 7988776 GGEQIVKBBWOGPM-UHFFFAOYSA-N 333.762 5.289 0 40 EKAB CC[C@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CCCC4 12631823 HNOUTBYVQIYKPU-HNNXBMFYSA-N 347.527 6.357 0 40 EKAB CSc1ccccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13646279 JCDUPGBHXWQCBL-CQSZACIVSA-N 327.493 5.197 0 40 EKAB CC[C@@H](NC(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(C)cc1 14226541 LTBKSPLJMGDEQV-HXUWFJFHSA-N 335.447 5.168 0 40 EKAB CSc1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 15305980 XKGZPNBWFPHOIB-UHFFFAOYSA-N 333.456 5.257 0 40 EKAB CCN(CC)c1ccc(NC[C@H](C)Oc2c(C)cccc2C)cc1 19737479 NWUWIYLGUPAEQD-SFHVURJKSA-N 326.484 5.029 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C)c(Cl)c1 20454370 KQOJXZVCDFCBFE-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB Cc1ccc(-c2coc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c(C)c1 21363026 BMLQWUNWLCMOEL-UHFFFAOYSA-N 348.446 5.610 0 40 EKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCCCC2 32117884 YYTURUAGGSNKAY-JOCHJYFZSA-N 347.502 5.295 0 40 EKAB C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1 32738204 WJQVQYRFPBEKEA-CQSZACIVSA-N 345.433 5.072 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)c(F)c1 47367819 KKKVKKIRWKSDJG-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB COc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1Cl 199713388 HRBFOWJTHRHSOH-UHFFFAOYSA-N 348.830 5.125 0 40 EKAB CC[C@H](NC(=O)CSCc1cccc(C)c1)c1ccc(C)c(C)c1 222746080 USTXHOANEVULBZ-FQEVSTJZSA-N 341.520 5.113 0 40 EKAB c1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1 409112501 DCBNDMLQESBILG-UHFFFAOYSA-N 339.438 6.031 0 40 EKAB C[C@H](Cc1csc2ccccc12)NC(=O)Nc1ccccc1Cl 618257598 YXIPJVYGXAJQTJ-GFCCVEGCSA-N 344.867 5.307 0 40 EKAB COc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21 69383 HAYUDLNFDRQBAK-UHFFFAOYSA-N 333.412 5.138 0 40 EKAB CN(C)CCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 347679 ZFZNTXIAUNKWJO-GOSISDBHSA-N 349.952 5.383 0 40 EKAB OCSCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1732079 VMLLIOFVQNIJFU-UHFFFAOYSA-N 326.459 5.137 0 40 EKAB NC1=NC2=C(CCC/C2=C/c2ccccc2)[C@@H](c2ccccc2)S1 1875791 PIPGYAQPEYOBLO-NMIWIPSGSA-N 332.472 5.311 0 40 EKAB Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1 2521625 IOVARPVVZDOPGQ-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic O=C(/C=C/c1ccccc1Cl)Nc1ccccc1Cc1ccccc1 3278981 WUFYNOLFAVHSBP-CCEZHUSRSA-N 347.845 5.583 0 40 EKAB Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 5214345 LHDCQKJTYXYAKS-VAWYXSNFSA-N 348.471 5.003 0 40 EKAB CCCCCCSC[C@H](CCCCCC)OCCOCCOC 5418367 UPFRFLWANMZACL-IBGZPJMESA-N 348.593 5.319 0 40 EKAB CC(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 6372384 HMQADKOWQSKKRT-UHFFFAOYSA-N 345.442 5.641 0 40 EKAB COc1ccc(C)cc1NC(=O)CCCSc1ccc(Cl)cc1 6789581 MTVVQRBHSUIPMI-UHFFFAOYSA-N 349.883 5.168 0 40 EKAB c1ccc(CCn2c(SCc3ccccc3)nc3ccccc32)cc1 12540157 GVGCLCFCCVFCRT-UHFFFAOYSA-N 344.483 5.571 0 40 EKAB COc1ccccc1Nc1nc(-c2ccccc2)c2ccccc2n1 18043648 ZMHUZGVGIOLSDP-UHFFFAOYSA-N 327.387 5.049 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C)c(Cl)c1 20485598 NPWRVOFDDRFYGY-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB Cc1ccc2c(NC(=O)c3cccc4c(Cl)cccc34)cccc2n1 21595463 QLFRLWHALWGJQF-UHFFFAOYSA-N 346.817 5.602 0 40 EKAB CN1CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1 25777360 KAHPXJATFMUEEE-UHFFFAOYSA-N 343.257 5.197 0 40 EKAB CCc1ccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn23)cc1 40216662 PHHCEVCHHCOBBT-UHFFFAOYSA-N 342.446 5.319 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1c(F)cccc1Cl 95917296 AIIQVIPBRWMLSZ-UHFFFAOYSA-N 326.754 5.502 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)c(C)c1 408579004 CIEZMLBECYEYAP-UHFFFAOYSA-N 336.460 5.296 0 40 EKAB CCc1cc(OCCCCCCN2CCC(C)CC2)ccc1Cl 3247115 YQKWHVPVFHJXNL-UHFFFAOYSA-N 337.935 5.574 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1 6264441 NTNOAPWUUTXZMZ-INIZCTEOSA-N 325.452 5.631 0 40 EKAB Cc1ccc(C)c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 6465394 YMSANQMQSBPOCS-CYBMUJFWSA-N 344.505 5.072 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](Nc2ccccc2)c2ccccc2)c1 6623566 FMNMIWQTGJJTTB-OAQYLSRUSA-N 330.431 5.095 0 40 EKAB CC1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 6634537 RGSGDPJOKVYESL-UHFFFAOYSA-N 338.234 5.126 0 40 EKAB c1ccc2c(CSCCC34CC5CC(CC(C5)C3)C4)cccc2c1 7191707 KCEYQDSCKXYSBV-UHFFFAOYSA-N 336.544 6.680 0 40 EKAB COc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1Cl 10325064 OTTZYFBEPOJVRZ-UHFFFAOYSA-N 345.870 5.217 0 40 EKAB CCCCCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 11691911 JIYRRVCYMDPDDL-UHFFFAOYSA-N 338.447 5.768 0 40 EKAB O=C(Nc1ccc(F)c(F)c1F)c1ccccc1-c1ccccc1 15001557 RCFVDDLTBJVTEX-UHFFFAOYSA-N 327.305 5.023 0 40 EKAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)cc3C)o2)cc1 15867467 ZXVUMYWSIPILQW-UHFFFAOYSA-N 349.430 5.143 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc2ccccc12 16544981 TZQKBUVBZKGJKX-UHFFFAOYSA-N 330.309 5.503 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(C)cc(C)cc1C 20484705 RGSBFKUNIYYKTK-MRXNPFEDSA-N 331.843 5.061 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CSCc1ccccc1F 24064860 AQHKUBWIBXNZCA-UHFFFAOYSA-N 331.456 5.129 0 40 EKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 72217358 QFSJBKCONPMCGK-CQSZACIVSA-N 336.501 5.044 0 40 EKAB CSc1ccc(C)c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 95987011 PTXDZNUNORGQFL-UHFFFAOYSA-N 344.867 5.033 0 40 EKAB C1=Cc2ccccc2/C1=C/c1ccc(/C=C2\C=Cc3ccccc32)cc1 104142893 WTNQAYAPMKTSFL-GJHDBBOXSA-N 330.430 6.821 0 40 EKAB O[C@@H](c1ccc(-c2ccccc2)cc1)c1cccc(Br)c1 109783203 CCEALMAYWIKKTG-IBGZPJMESA-N 339.232 5.198 0 40 EKAB C[C@@H]1[C@@H]2C[C@@H]([C@H](c3ccc(OC(=O)Nc4ccccc4)cc3)C2)C1(C)C 136202376 COBDRXXOEJTYQG-GWKIZSTFSA-N 349.474 6.083 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 223440100 RKVBQXDWHTYORC-OAHLLOKOSA-N 347.483 5.366 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225658066 QBUDGNDTFZPINP-QGZVFWFLSA-N 340.536 5.346 0 40 EKAB Fc1cccc(-c2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)c1 257297322 RGTGHUXDJZHSQL-JOCHJYFZSA-N 347.437 5.010 0 40 EKAB O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 585091373 LDWOCVLKNFPNQW-SGRGSNTQSA-N 345.486 6.107 0 40 EKAB CCc1cc(-c2n[nH]c(C)c2-c2cc3ccccc3o2)c(O)cc1OC 125028 UGWAFPXVEJPISW-UHFFFAOYSA-N 348.402 5.075 0 40 EKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1 1925976 PDWJVURNUJNKBH-OVCLIPMQSA-N 347.389 5.057 0 40 EKAB Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl 2566938 GLOOIONSKMZYQZ-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2ccccc12 2653178 INAVMNGQHVAPAL-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1ccc(C)c(/N=c2\scc(-c3ccccc3)n2C2CCCC2)c1 2663905 UDVZBKLCKHUDEC-FCQUAONHSA-N 348.515 6.181 0 40 EKAB CCc1ccc(-c2nc(-c3cc4ccccc4oc3=O)sc2C)cc1 3911508 YPLWMHLKEWDQCG-UHFFFAOYSA-N 347.439 5.454 0 40 EKAB CCCn1c(SCc2ccc(Cl)c(Cl)c2)nc(C)c1C 4024022 CFQMSUXOIMVUBJ-UHFFFAOYSA-N 329.296 5.509 0 40 EKAB Cc1ccc2c(Cl)cc(Cl)c(OCc3c(C)noc3C)c2n1 4058006 KEXNTOVGBSZTSS-UHFFFAOYSA-N 337.206 5.034 0 40 EKAB CC(C)=CCC/C(C)=C\COC(C)OC/C=C(\C)CCC=C(C)C 4567046 HMGRLNGYHHOGCU-TVGQLCNQSA-N 334.544 6.751 0 40 EKAB NCC(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 4655779 KSXSSBWDGVXEAU-UHFFFAOYSA-N 335.061 5.391 0 40 EKAB Cc1cccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)c1 4831879 JGJHLICNMIKVHD-UHFFFAOYSA-N 325.411 5.174 0 40 EKAB CC(C)(C)[P@](=Nc1ccccc1)(c1ccncc1)N1CCCC1 5496508 ZONRKGPKRWCDCY-QHCPKHFHSA-N 327.412 5.049 0 40 EKAB CC(=O)c1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)cc1 5520718 NFDFDHOKIKCIGU-UHFFFAOYSA-N 344.336 5.508 0 40 EKAB Clc1cccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)c1 7524804 PGJARRUCELISIW-UHFFFAOYSA-N 341.882 5.658 0 40 EKAB CCCCc1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 32119043 PHXPZEPFUPBBSZ-ACCUITESSA-N 336.460 5.291 0 40 EKAB Cc1occc1-c1nnc(SCc2csc(C3CCCC3)n2)o1 64025116 RNIMYMJGFMODHT-UHFFFAOYSA-N 347.465 5.044 0 40 EKAB CCC(=O)c1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1 82087369 HZJJEJLXCUIJBG-UHFFFAOYSA-N 341.794 5.240 0 40 EKAB c1ccc2cc(SCSc3ccc4ccccc4c3)ccc2c1 2362803737 DRLFRQRECPSTAW-UHFFFAOYSA-N 332.493 6.835 0 40 EKAB CCOc1ccc(C2=C[C@@H](c3ccc(C)cc3)c3ccccc3O2)cc1 2302105 ZKNRAJXIZQVMSR-QFIPXVFZSA-N 342.438 5.959 0 40 EKAB c1ccc(-c2nn(-c3ccccc3)c3c2Sc2ccccc2N3)cc1 3245180 IGRBIKGJHGOCAR-UHFFFAOYSA-N 341.439 5.748 0 40 EKAB COc1ccccc1/C=C/C(=O)Oc1ccc2oc3ccccc3c2c1 3283775 YWVKGEBMCIBQAA-JLHYYAGUSA-N 344.366 5.213 0 40 EKAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3325824 YCFSVLWUDRSWBY-CYBMUJFWSA-N 335.369 5.291 0 40 EKAB 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]3CC[C@]12C 4895931 LTDMCKMWCXEYTN-NOYPWOGCSA-N 330.512 5.049 0 40 EKAB COc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 5637742 GSIQYCKOUGIZQC-UHFFFAOYSA-N 327.387 5.049 0 40 EKAB CCc1cccc(CC)c1NC(=O)COc1cc(C)c(Cl)c(C)c1 5717547 FIVPHKDTYOOFKI-UHFFFAOYSA-N 345.870 5.099 0 40 EKAB Cc1ccccc1OCCCn1cc(C(=O)C(C)C)c2ccccc21 6422588 DZBGZNVVFHFOKS-UHFFFAOYSA-N 335.447 5.258 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)CSCc1cccc(Cl)c1 7094193 XQZZUHBAMTWEFW-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 8040804 PUZCRQATYYFYJJ-UHFFFAOYSA-N 349.455 5.843 0 40 EKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)C(C)(C)C 9141035 WEUVHLUJEZMRNV-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB CCCCC(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 9141340 SIUXRZTWIIOHAH-UHFFFAOYSA-N 344.414 5.777 0 40 EKAB CCOc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(C)=O 10339476 GYWYWZBRCPXMFE-UHFFFAOYSA-N 325.795 5.157 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708336 ZWKSFQSOPKYCIZ-CQSZACIVSA-N 339.822 5.208 0 40 EKAB Fc1cc(Cl)ccc1NC(=S)Nc1ccccc1C(F)(F)F 13792443 AHAZSTXCRDUVSZ-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB O=C(NCc1cccc2ccccc12)Nc1cccc(C(F)(F)F)c1 16526293 YRJQXWBBIDAVDH-UHFFFAOYSA-N 344.336 5.180 0 40 EKAB CC[C@H](CNc1cc(C)cc(C)c1)Oc1ccccc1[C@H](C)CC 19737769 YBSGHJULVUNNGA-UYAOXDASSA-N 325.496 6.086 0 40 EKAB Cc1cccc(NC(=O)CSCc2cccc3ccccc23)c1C 23411276 UMVQORFZSISRAA-UHFFFAOYSA-N 335.472 5.329 0 40 EKAB Cc1ccc(CN(C)[C@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 24814465 CPPNAVCQIULPBZ-OAHLLOKOSA-N 343.421 5.241 0 40 EKAB CSc1ccc(Cl)c(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1 32109869 PBXGDGWXSIBCIB-UHFFFAOYSA-N 349.883 5.452 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C(F)(F)F)cc1 33626323 XTFCZDWDHLTEMU-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(C)C)cc1 44946961 DQMCAVUQELLDOJ-QGZVFWFLSA-N 331.843 5.260 0 40 EKAB c1ccc(C2=C(c3ccccc3)[C@H](c3ccccc3)c3ccccc32)cc1 79316967 URBISKZYAXNRPC-RUZDIDTESA-N 344.457 6.791 0 40 EKAB Cc1c(F)cccc1NC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 89540346 LXJWFKKZZLGMLJ-LAUBAEHRSA-N 338.426 5.067 0 40 EKAB Cc1[nH]c(-c2ccc(-c3ccc(Cl)cc3)o2)nc1-c1ccccc1 95468282 OGJYQNIJVJMBGN-UHFFFAOYSA-N 334.806 5.966 0 40 EKAB C[C@H](NC(=O)c1sc2ccccc2c1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 105874145 VHBSHKYZMWSAKL-MNXVOIDGSA-N 333.884 5.109 0 40 EKAB Clc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 216914682 VLGUXKLHWYCESE-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 224648435 UMYFBZAOGDVNCB-KGLIPLIRSA-N 347.911 5.260 0 40 EKAB Cc1ccc(CCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C 224967149 AMAJLXANPLNNBL-IBGZPJMESA-N 337.507 5.109 0 40 EKAB CCC[C@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225381903 RVHCBNXAWRJQKT-HNNXBMFYSA-N 344.549 5.454 0 40 EKAB O=C(NCCc1ccc(-c2ccsc2)s1)c1ccccc1Cl 575413979 AWKWCDXNYKEXLV-UHFFFAOYSA-N 347.892 5.103 0 40 EKAB c1ccc2c(c1)[nH]c1cc(-n3c4ccccc4c4ccccc43)ccc12 575449148 JZAGTIXVDVWCGZ-UHFFFAOYSA-N 332.406 6.418 0 40 EKAB CSc1cccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 365179 FBQIRSKOVNCXCB-HNNXBMFYSA-N 327.493 5.349 0 40 EKAB Clc1ccccc1-c1cc(COc2ccc3ccccc3c2)no1 1398579 PDQCEMINRCCFJN-UHFFFAOYSA-N 335.790 5.727 0 40 EKAB aggregator CCCCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OCC)cc1 3443849 VPNQVEYNMAUDNU-UHFFFAOYSA-N 347.842 5.660 0 40 EKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(C)=CC[C@]4(C)[C@H]3CC[C@]12C 3850020 OLUAAWREULLCHM-DVFOPUQSSA-N 330.512 5.517 0 40 EKAB biogenic CC(C)CCN1C(=O)c2ccccc2[C@H]1Sc1ccc(F)cc1 4616238 KABKERHXRHCTBE-LJQANCHMSA-N 329.440 5.119 0 40 EKAB CC(C)C[C@@H](Nc1ccccc1Cl)c1nnnn1C1CCCCC1 4671923 QHZFDKUMPSZGHR-QGZVFWFLSA-N 347.894 5.031 0 40 EKAB c1ccc(CC(c2ccccc2)(c2ccccc2)c2ccncc2)cc1 4707030 XEZZFMAPPHMONW-UHFFFAOYSA-N 335.450 5.659 0 40 EKAB CCCCCCOc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 5214411 SRKIWUSAHGBWNB-UHFFFAOYSA-N 332.827 5.518 0 40 EKAB Cc1cc(C)c(NC(=O)c2nc(-c3ccccc3)oc2C)c(Cl)c1 8073620 SDUWWNVJERGOAZ-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB Cc1ccc(Cc2nnc(SCc3cccc4ccccc34)o2)cc1 9198897 LWBBJCLWZGVQTE-UHFFFAOYSA-N 346.455 5.414 0 40 EKAB C[C@H](NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)C1CC1 9500121 UUPLMRKEEWPZKQ-AWEZNQCLSA-N 348.471 5.005 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1 20048627 QCZNGBVLHHXLBI-NRFANRHFSA-N 335.491 5.111 0 40 EKAB c1csc(-c2nc(CSC3=Nc4ccccc4CS3)co2)c1 22022240 PJAXSDSQBFITNI-UHFFFAOYSA-N 344.486 5.571 0 40 EKAB Fc1cc(F)cc(NC(=S)Nc2cccc(Cl)c2Cl)c1 71761040 LTFUVKKMZOWRJA-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C 80344218 BUIROUVGOUOHLP-IAGOWNOFSA-N 334.246 5.352 0 40 EKAB Cc1ccc(-c2ncc(-c3nc(-c4ccccc4)c(C)[nH]3)s2)cc1 95468332 DHRRWJQOCLZBQO-UHFFFAOYSA-N 331.444 5.484 0 40 EKAB Cc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1 106951469 VHQSQVCQQKSQOU-UHFFFAOYSA-N 342.236 5.630 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OCC 106993432 UKRSVMNQBQELQH-UHFFFAOYSA-N 347.886 5.756 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C)c(C)c1 113970466 ZJQWKUZSVUQOAM-GOSISDBHSA-N 331.843 5.061 0 40 EKAB CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 223013002 HZDPEOWUZDQWRS-QFIPXVFZSA-N 349.518 5.744 0 40 EKAB CC(C)Oc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 408573375 CZPVMYUDJJJHMB-UHFFFAOYSA-N 349.883 5.248 0 40 EKAB CCc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 994783 PNVZWWMGLDPGSB-UHFFFAOYSA-N 329.443 5.410 0 40 EKAB CCCCCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 1583045 HJBZLUCEBQDOLY-OAHLLOKOSA-N 342.435 5.145 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc2ccccc2o1 3379248 UPZDWHQCQFZGPD-UHFFFAOYSA-N 329.355 5.477 0 40 EKAB Cn1cc([C@H]2c3ccccc3C(=O)N2C2CCCCC2)c2ccccc21 6268858 HBXOBCYUYYMKRT-JOCHJYFZSA-N 344.458 5.056 0 40 EKAB Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1C 6329383 BNQCQZKGYZOVRD-UHFFFAOYSA-N 346.499 5.379 0 40 EKAB CCc1cccc(C)c1NC(=O)c1cccc(OCCC(C)C)c1 8567890 IZOFUZNKEUIEKG-UHFFFAOYSA-N 325.452 5.235 0 40 EKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CCCC5)CC[C@H](C)C3)c1 12610117 TWFYKVFUQWLEMG-HNNXBMFYSA-N 347.527 6.275 0 40 EKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cc3ccccc3o2)cc1 14268920 JBNWXYRLDISTHQ-HNNXBMFYSA-N 334.419 5.064 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc12 16493263 NOUITVDQSCGYHK-UHFFFAOYSA-N 338.410 6.151 0 40 EKAB Clc1ccc(SC/C=C\CSc2ccc(Cl)cc2)cc1 17289441 IYDMTDVSXXUTME-UPHRSURJSA-N 341.328 6.434 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)c(C)c1 20484945 VGDWSKZSYYIJNY-ROUUACIJSA-N 347.458 5.101 0 40 EKAB Cc1ccc(CN(C)C(=O)c2cc3c(ccc4ccccc43)o2)cc1 20495255 MEFDAMBVCDSFQC-UHFFFAOYSA-N 329.399 5.167 0 40 EKAB CC(C)CC[C@H](CC(=O)Nc1nccs1)c1ccc(Cl)cc1 27579136 WPKWBRQMPCLGSQ-CQSZACIVSA-N 336.888 5.345 0 40 EKAB c1ccc(CC[C@@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 48303676 NEDVEHXSCZROHQ-SFHVURJKSA-N 338.476 5.000 0 40 EKAB CCCCCC1CCC(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 59796839 NQLHGECGZRJQLF-UHFFFAOYSA-N 342.473 7.486 0 40 EKAB C1=Cc2ccccc2/C1=C\c1cccc(/C=C2/C=Cc3ccccc32)c1 104142900 AXOITUPNKUIHGW-BOYKQRMESA-N 330.430 6.821 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1cc2cc3ccccc3nc2s1 223128560 PQIRERUXVIZCJD-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1C 223504874 DQEFMIWXZOXLPA-AWEZNQCLSA-N 332.900 5.313 0 40 EKAB Cc1ccc(C)c(C(=O)NC[C@H](C)Cc2cccc3ccccc23)c1 225053747 QLZYMFAYYBKYPH-QGZVFWFLSA-N 331.459 5.065 0 40 EKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225513672 QALXLALZLGNQRV-UHFFFAOYSA-N 337.463 5.153 0 40 EKAB COc1cc(C)c(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1C(C)C 225667829 ZDYCWELEWQZGNU-QGZVFWFLSA-N 339.479 5.235 0 40 EKAB Cc1sc(=Nc2cc(Cl)ccc2Cl)[nH]c1-c1ccccc1 409048572 SCBKYUXUMSVDRD-UHFFFAOYSA-N 335.259 5.591 0 40 EKAB Cc1ccccc1NCc1cccc(OCc2ccc(Cl)cc2)c1 409118078 PXBMDQKPGAUPQT-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCC(C)(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359057 OCLFPZQNNCPZMI-UHFFFAOYSA-N 343.470 6.775 0 40 EKAB CCSc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 68113 TZJLFKCSGFKTKY-UHFFFAOYSA-N 337.275 5.503 0 40 EKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc2ccccc2c1 569678 BBBMCRDXTHHJTP-UHFFFAOYSA-N 330.431 5.082 0 40 EKAB Cc1cc(C)c(C(=O)c2ccccc2C(=O)c2ccccc2)c(C)c1 1600042 CHTZTQWATBZLTP-UHFFFAOYSA-N 328.411 5.074 0 40 EKAB O=C(Nc1ccc(Cl)cc1Cl)C1(c2ccccc2)CCCC1 2512605 KPSRRFATGZMYQU-UHFFFAOYSA-N 334.246 5.444 0 40 EKAB Cc1sc(NC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 2747090 ZNPBCQNUEYALJJ-UHFFFAOYSA-N 343.839 5.416 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(F)cc4Cl)c23)C1 3339309 LMUZQLWNPQUCEB-SECBINFHSA-N 348.830 5.401 0 40 EKAB O=C(CSc1ccc(F)cc1)Nc1ccccc1-c1ccccc1 4564080 ULLDGTWNBHVZKI-UHFFFAOYSA-N 337.419 5.224 0 40 EKAB CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc(C)cc1 5033012 IQOHLRRQESQISO-SFHVURJKSA-N 333.368 5.372 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 8495650 TXVUUYXYJIPPLZ-IBGZPJMESA-N 339.822 5.289 0 40 EKAB CCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757538 LJENHYBISMCOGL-UHFFFAOYSA-N 345.471 5.590 0 40 EKAB C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 17743174 QQJMMJGWPVUTNJ-VIFPVBQESA-N 341.263 5.206 0 40 EKAB C[C@@]12CC3CC(Nc4nc(Cl)nc5ccccc45)(C1)C[C@](C)(C3)C2 18265202 KDJSRQQEECHROQ-GOSFSIBNSA-N 341.886 5.444 0 40 EKAB Clc1ccc(-c2nc3scc(-c4ccccc4)n3n2)c(Cl)c1 19927794 IUWJIAIFPGRYMO-UHFFFAOYSA-N 346.242 5.432 0 40 EKAB Cc1ccc(-n2c(-c3ccc(Br)cc3)c[nH]c2=S)cc1 26423089 ZJJPMOOUIRPYBH-UHFFFAOYSA-N 345.265 5.273 0 40 EKAB CC(C)(C)c1csc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 59482536 QXEWKCYCSGREFC-UHFFFAOYSA-N 336.460 5.360 0 40 EKAB Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(SC(F)F)cc1 95968014 OQMDZDRJRLCFNJ-ZJUUUORDSA-N 326.412 5.018 0 40 EKAB Cc1cc(C)cc(CSCC(=O)NCc2cccc3ccccc23)c1 222827363 BYMUGDNZCAFSEB-UHFFFAOYSA-N 349.499 5.006 0 40 EKAB O=C(O)c1ccc(CC2CCCCC2)n1Cc1ccc(Cl)cc1 226024419 XVQVJGPWFPMRGV-UHFFFAOYSA-N 331.843 5.011 0 40 EKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]3C/C(=C\c4ccccc4)C[C@@]3(C)CC[C@H]12 257346057 PSUFVZFXGOVTOA-YTKYPBRBSA-N 348.574 7.503 0 40 EKAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4)c3)oc2c1 352940 ZELNVHXQDKZBBM-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1 505779 JKVOXMNFGCLBBL-INIZCTEOSA-N 325.452 5.341 0 40 EKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccsc1 537646 IWXYHGHYUJJFOK-FQEVSTJZSA-N 331.444 5.152 0 40 EKAB CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(C)cc1 551139 YGVLNLYZPZTERA-UHFFFAOYSA-N 334.463 5.791 0 40 EKAB COc1cccc2cc([C@H](C)OC(=O)Nc3ccc(C)cc3)oc12 1406484 UDJCRPOVWUQUHR-ZDUSSCGKSA-N 325.364 5.060 0 40 EKAB Cc1ccc(C(CN)(CCOc2ccccc2)c2ccc(C)cc2)cc1 1654123 VODXZCQGQIWIGS-UHFFFAOYSA-N 345.486 5.017 0 40 EKAB Cc1ccc(CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1787409 QSWBUHAOBXFKMN-UHFFFAOYSA-N 331.893 6.064 0 40 EKAB Cc1c(Cc2ccccc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2218477 TVTRRMSRNBGBLT-UHFFFAOYSA-N 346.426 5.736 0 40 EKAB O=C(CCc1cccc(Br)c1)c1ccc(Cl)cc1F 2516730 FBJNVWMAKPXIIE-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB Cc1ccc(-c2cnc(-c3c(N)sc4c3CCCC4)s2)cc1 3211839 HELNFDLIEWFZLR-UHFFFAOYSA-N 326.490 5.308 0 40 EKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2c1 5905731 YGNACTFSTPNFSC-UHFFFAOYSA-N 349.739 5.764 0 40 EKAB CC(C)c1ccc(C2=Nc3ccccc3C(c3cccs3)=NN2)cc1 6190779 WLZOXCUXJYQOAE-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB CC(=O)OC/C=C(C)\C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C 13516720 QGNJRVVDBSJHIZ-NAWKVCJPSA-N 328.496 6.081 0 40 EKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1 32624565 AMOSTHNTRINJSS-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB c1ccc(-c2cc(-c3ccco3)nc3sc4c(c23)CCCC4)cc1 65479680 MSDGNXAEIIQEQN-UHFFFAOYSA-N 331.440 6.102 0 40 EKAB O=C(Nc1cccc(Cl)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344209 YJHGMJOOVKXBTQ-CABCVRRESA-N 340.637 5.389 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1C 223397044 ZTKXZIROJAIHKL-HNNXBMFYSA-N 347.911 5.235 0 40 EKAB O=C(CN(C1CCCCC1)C1CCCCC1)Nc1ccc(Cl)cc1 408583914 YRFHHLXHSZEMPD-UHFFFAOYSA-N 348.918 5.246 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 408768595 HMCQOJZLNVHDTK-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CCC(CC)c1nc(Nc2ccc(C(=O)OC)cc2)c2ccccc2n1 136891 IXRIBIIINJPZMP-UHFFFAOYSA-N 349.434 5.064 0 40 EKAB biogenic,in-vitro O[C@@H]1C[C@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21 1383520 PAQCIBLMLRKGNI-RTBURBONSA-N 336.818 5.701 0 40 EKAB Fc1ccc(CSc2nnc(-c3ccccc3)c3ccccc23)cc1 1491889 FDFPBUHVRSLZDQ-UHFFFAOYSA-N 346.430 5.728 0 40 EKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)cc1 3367676 SYJDUWTUUYZSHM-MGPUTAFESA-N 337.463 5.761 0 40 EKAB CSc1ccc(CNc2ncc(-c3ccc(Cl)cc3)n2C)cc1 4678233 PNXGRLBXHTYEHS-UHFFFAOYSA-N 343.883 5.075 0 40 EKAB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1 4969924 XMWJTHGBEGSIRU-UHFFFAOYSA-N 335.410 5.549 0 40 EKAB CCC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 5575324 IECQAFBYAOGQBW-QKTWPWEVSA-N 346.474 5.527 0 40 EKAB Clc1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 6757348 CQRCHVILXSKUJO-IBGZPJMESA-N 339.847 6.291 0 40 EKAB C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 6896786 AATAWSBQBBKLKG-VFNWGFHPSA-N 346.405 5.028 0 40 EKAB CCCc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 9029463 XPRNYZUBTXKNFL-UHFFFAOYSA-N 330.840 5.155 0 40 EKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)CC(C)C)c3)oc2c1 9141068 AVBCHFVVJQDLTL-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB O=C(OCc1ccc(F)cc1)/C(=C/c1cccs1)c1cccs1 12700094 YJDOMMRSDORJTR-LFIBNONCSA-N 344.432 5.233 0 40 EKAB C[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 12800597 GMYCGKAZGSJIBC-IBGZPJMESA-N 343.470 5.129 0 40 EKAB O=c1cc(Oc2cc(Cl)c(Cl)cc2Cl)c2ccccc2o1 17117849 VJXBPCNQNIFNGG-UHFFFAOYSA-N 341.577 5.546 0 40 EKAB CC[C@@H](C)c1ccccc1O[C@@H](C)CNc1c(C)cc(C)cc1C 19737719 IIKAIDKYHFUSSI-APWZRJJASA-N 325.496 6.005 0 40 EKAB Clc1ccc(-c2nnc(CSc3ccccc3)o2)c(Cl)c1 19929542 RKDQFNSZQWZGOX-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB O=C(c1ccc(Br)cc1)c1cc2cc(Cl)ccc2o1 20362823 DLTQTCAQCKQRQN-UHFFFAOYSA-N 335.584 5.080 0 40 EKAB Cc1ccc(CN(C)[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 24814470 CPPNAVCQIULPBZ-HNNXBMFYSA-N 343.421 5.241 0 40 EKAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 27795250 YBHHTMDQMHKLAM-UHFFFAOYSA-N 346.213 5.433 0 40 EKAB Cc1ccc(-c2nnc([C@@H](C)Sc3cc(F)ccc3F)o2)cc1 39982485 AWEVDIFGZMRSMK-LLVKDONJSA-N 332.375 5.177 0 40 EKAB CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 44904902 BDRZTGURYNCWAX-QHCPKHFHSA-N 343.470 5.353 0 40 EKAB Cc1cccc(-c2noc(-c3sc(-c4ccccc4)nc3C)n2)c1 57509578 KWCQCYJDBBFNAF-UHFFFAOYSA-N 333.416 5.144 0 40 EKAB CC[C@H](C)[C@H](CSC(F)(F)F)NCc1ccc(Cl)cc1 95918373 MZLMPCCTCWOSMQ-GWCFXTLKSA-N 325.827 5.097 0 40 EKAB c1ccc(-c2nnc(Oc3ccc4ccccc4c3)c3ccccc23)cc1 126553 IWYWOBZFISTHRS-UHFFFAOYSA-N 348.405 6.242 0 40 EKAB CCCC(CCC)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1596051 KUUDOVZBSUZJOP-UHFFFAOYSA-N 338.447 5.296 0 40 EKAB CCCCCSC(SCCCCC)C(Cl)(Cl)Cl 1681450 XQJRWFKZYUHGBI-UHFFFAOYSA-N 337.809 6.530 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 4156569 LPGGCFBJYNQJSK-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB S=c1sc2c(s1)S[C@H]1c3cccc4cccc(c34)[C@@H]1S2 5243029 VCDYMDDSSVANBS-RYUDHWBXSA-N 348.564 6.686 0 40 EKAB CC(C)[C@@H]1CC(C)(C)[C@@H]2C[C@H]3O[C@@H](C(C)C)CC(C)(C)[C@@H]3C[C@@H]2O1 5395756 YJDWFPSBWFUGFD-CPPNMTBBSA-N 336.560 5.692 0 40 EKAB Cc1ccc(NC(=O)OCc2cc(-c3ccc(Cl)cc3)on2)cc1 5541602 MIDHGYYSFFFMIZ-UHFFFAOYSA-N 342.782 5.052 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1Cl 5637314 KQEZMKIEIJEMQQ-UHFFFAOYSA-N 325.795 5.063 0 40 EKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(F)c(F)c1 6377685 HZRWKPWFESTXRO-UHFFFAOYSA-N 337.325 5.045 0 40 EKAB Cc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)c(C)c1 6948433 NHEMUSQCBOHPHV-UHFFFAOYSA-N 339.382 5.053 0 40 EKAB C[C@H](NCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 8497333 OKMHVJQCFCLXDA-GOBPUOAWSA-N 348.328 5.144 0 40 EKAB Cc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)c1 12555439 DRGFHXIMKSTANI-GGAORHGYSA-N 340.426 5.237 0 40 EKAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13708876 AEDMZVNSIOCACQ-MRXNPFEDSA-N 333.431 5.369 0 40 EKAB C[C@H](c1ccccc1)n1c(-c2csc3c2CCCC3)n[nH]c1=S 13950207 FNTGMWAZYOEPKQ-GFCCVEGCSA-N 341.505 5.157 0 40 EKAB Fc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 22076535 QDTCNSQUSOGLOT-UHFFFAOYSA-N 329.802 5.071 0 40 EKAB Cc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)cc1 27740296 MGVQCFZOZQJVSI-UHFFFAOYSA-N 335.472 5.520 0 40 EKAB COc1ccc(-c2nc3c(C)cc(C)cc3s2)cc1Br 73635629 KGNSEAINWPMHHB-UHFFFAOYSA-N 348.265 5.351 0 40 EKAB CC[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc(C)c(C)c1 222678372 UWYTWGBAPFYGKA-HSZRJFAPSA-N 345.486 5.657 0 40 EKAB CCc1ccc(CN(C)[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 225499964 CRQGNYWWZKBWEL-AWEZNQCLSA-N 343.421 5.187 0 40 EKAB CC[C@H](C(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccccc1 575360075 CNTUWSNNPRVCJS-HNNXBMFYSA-N 340.316 5.300 0 40 EKAB Fc1cccc(OCCN2CCCCC2)c1Oc1cccc(Cl)c1 585265086 FXBBWLGDBWGTKK-UHFFFAOYSA-N 349.833 5.136 0 40 EKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(C)c1C 2080178 GDKYSSIYKMFWKX-UHFFFAOYSA-N 331.843 5.063 0 40 EKAB CCCC1CCC(c2nc(Cc3c(F)cccc3Cl)no2)CC1 3583627 ULAAJWIMFGUWAW-UHFFFAOYSA-N 336.838 5.527 0 40 EKAB CC[C@@H](C)C(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 3670811 PDEHVMSVBREZFS-HXOBKFHXSA-N 335.491 5.554 0 40 EKAB Cn1cc(SCC(=O)Nc2cccc3ccccc23)c2ccccc21 4060487 IRLSOHZEPGAIMC-UHFFFAOYSA-N 346.455 5.062 0 40 EKAB Cc1ccccc1CSCC(=O)Nc1ccc(Cl)c(Cl)c1 4496829 WFLCSDNHNIVPPL-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB Cc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1 4970887 XIVCEFCYYYKCGR-UHFFFAOYSA-N 346.455 5.312 0 40 EKAB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1 5277353 UUZDESCSSNPWGN-QHCPKHFHSA-N 342.442 5.359 0 40 EKAB CCCCCCC(=O)C[C@@H](SCC)c1ccc(Cl)cc1Cl 5782546 QDQSXQCKIPQJHM-QGZVFWFLSA-N 347.351 6.717 0 40 EKAB O=C(CC1CCCC1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 9155231 OAEMBVHLABNTFM-UHFFFAOYSA-N 342.420 5.182 0 40 EKAB Cc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(C)c1 12547891 YLKCENCLBPTEQY-NRFANRHFSA-N 325.415 5.293 0 40 EKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(N2CCCCC2)cc1 14400354 YGWFADYXBXLSBS-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB C/C=C/c1ccc(O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)c1 33004181 VHKIPRXSXCHCQZ-ZYOFXKKJSA-N 342.826 5.398 0 40 EKAB biogenic Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(F)cc1 40967292 AXRIJQKLWOIZNP-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB CN(Cc1ccccc1)Cn1c(=S)sc2ccc(Cl)cc21 57457823 OTZKHGNIOBYOHV-UHFFFAOYSA-N 334.897 5.175 0 40 EKAB Clc1ccc([C@@H](Cn2ccnc2)OCc2ccccc2)c(Cl)c1 103184934 CSENVQMNWOFZIZ-GOSISDBHSA-N 347.245 5.148 0 40 EKAB in-vitro Cc1ccccc1[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 216311538 OZGXFDXLLDEKEW-FQEVSTJZSA-N 335.834 5.168 0 40 EKAB Cc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 225379743 VNZAGFPOFLMDCS-ZDUSSCGKSA-N 336.262 5.112 0 40 EKAB Cc1cccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)c1 225390754 QQTNLODYYHPTPS-UHFFFAOYSA-N 326.509 5.038 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408574560 RZSRESLOMOHJRH-FYPAKXHLSA-N 345.442 6.112 0 40 EKAB Cc1ccccc1N=c1[nH]c(-c2ccc(Cl)c(Cl)c2)c(C)s1 409058749 SUYIIHAEIBGERB-UHFFFAOYSA-N 349.286 5.899 0 40 EKAB CCc1ccccc1NCc1cccc(OCc2ccccc2F)c1 409112576 FBLOTYZKIGTEGB-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB C[C@H](CC(=O)c1c(F)cc(Br)cc1F)CC(C)(C)C 575362571 ZVUUJSOJSOCHQN-SECBINFHSA-N 333.216 5.372 0 40 EKAB CN(Cc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 585090223 OETSEVBZKSAUGH-UHFFFAOYSA-N 345.067 5.392 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 253651 UJEKRKVGVQAVDM-KGLIPLIRSA-N 331.843 5.260 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc(Cl)cc2)o1 272968 CRKXLONINJOFTP-UHFFFAOYSA-N 347.801 6.006 0 40 EKAB CCCN(CCC)C(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 368864 HJJUZTJVSDNPEK-UHFFFAOYSA-N 346.474 5.472 0 40 EKAB C[C@@H]1CC2(CCCCC2)[N+]([O-])=C(Cc2ccccc2)c2ccccc21 1100902 MCLCMYDTWMAVGS-GOSISDBHSA-N 333.475 5.439 0 40 EKAB COc1ccc(-c2c(-c3ccccc3)c3cc(C)ccc3oc2=O)cc1 2576874 HGDQXMRHMLHGOR-UHFFFAOYSA-N 342.394 5.444 0 40 EKAB biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1Cc1sc(N)nc12 4138711 LDZFZRSSOBEODZ-GOSMCVEXSA-N 330.541 5.172 0 40 EKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1 4969894 JHVQBCUZMKGOFA-UHFFFAOYSA-N 335.410 5.549 0 40 EKAB Cc1cc(C)c(NC(=O)c2cc(F)c(F)cc2Cl)c(Cl)c1 5262062 WHBQQECVLYYDRU-UHFFFAOYSA-N 330.161 5.141 0 40 EKAB CC1=Nc2ccccc2N=C2C[C@H](c3cccc(Cl)c3)CC(O)=C12 5352393 FZSHHZSVNWHROB-AWEZNQCLSA-N 336.822 5.908 0 40 EKAB CCCc1n[nH]c(SCc2c(Cl)ccc(Cl)c2Cl)n1 5686249 MYPUYIFAPMZWSJ-UHFFFAOYSA-N 336.675 5.010 0 40 EKAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccccc1-c1ccccc1 6601927 XCVNQVSQODZFEH-UHFFFAOYSA-N 347.389 5.094 0 40 EKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-c1ccccc1 6786579 VPUNDEZZHSJNEW-UHFFFAOYSA-N 331.459 5.052 0 40 EKAB COc1ccc2c(C)cc(N3CCC(Cc4ccccc4)CC3)nc2c1 6823794 DAYUXWLOQFRBAR-UHFFFAOYSA-N 346.474 5.011 0 40 EKAB CCOc1cc(CNCC(C)C)ccc1OCc1ccccc1Cl 8254680 QGGWCYLUSKWBPX-UHFFFAOYSA-N 347.886 5.063 0 40 EKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(C)cc1 20037460 VJFWNEUJBWFBBI-QEQIRTOISA-N 345.442 5.396 0 40 EKAB C[C@@H](c1ncc(-c2ccccc2)o1)[S@@](=O)[C@H](C)c1ccc(F)cc1 89904795 NMSWAUCAHJXYNP-QWJLCTJOSA-N 343.423 5.052 0 40 EKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2ccccc2)c1 394418868 MEIXKRGSEYKUTA-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1Cl 366789 HSFZHIPCIXEHBG-KRWDZBQOSA-N 347.245 5.081 0 40 EKAB Cc1c(C)c(C)c(CC2(C)CSC2)c(CC2(C)CSC2)c1C 1722243 YAHDSEDPAYUYBX-UHFFFAOYSA-N 334.594 5.511 0 40 EKAB in-vitro COc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 2078785 HSXSJGWVKUADAZ-UHFFFAOYSA-N 348.352 5.251 0 40 EKAB Cc1cccc2sc(NC(=O)c3cccc(Cl)c3Cl)nc12 2651602 CUHPFKOYJLUAMX-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4026569 NOSSBHBMUGGCBX-NKIYZRJISA-N 342.523 5.360 0 40 EKAB biogenic CCCCCCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1O 5865596 WINNWDJGKLCZDU-UHFFFAOYSA-N 343.448 5.053 0 40 EKAB biogenic Cc1ccc(N(C(=O)C2CCC2)c2nc3ccccc3s2)cc1C 7270346 MYRSXFPLESLUQD-UHFFFAOYSA-N 336.460 5.378 0 40 EKAB Cc1cc(C)nc(/C=C\c2ccc(/C=C/c3cc(C)cc(C)n3)cc2)c1 17176522 NHFWLPKGJSKYHA-DSOJMZEYSA-N 340.470 6.051 0 40 EKAB Cc1cccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccccc3Cl)o2)c1 39990600 DCVFQQZTMWAVQG-UONOGXRCSA-N 341.842 5.110 0 40 EKAB CCCCCc1ccc(C(=O)c2cccc(Br)c2)cc1 43210212 GIEDWPNRKOMAMV-UHFFFAOYSA-N 331.253 5.413 0 40 EKAB Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C/c1ccc(Cl)cc1Cl 100048513 DSBQBHLCPHLMNA-LFYBBSHMSA-N 338.215 5.028 0 40 EKAB Cc1ccc([C@H]2C=C(c3ccccc3)N=C3Nc4ccccc4N32)cc1 103542425 KVGCQKGYHWDGMW-JOCHJYFZSA-N 337.426 5.379 0 40 EKAB CCCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1OCC 106995432 VCPBCWJMWDGYND-UHFFFAOYSA-N 337.822 5.279 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2cccc3ccccc23)cc1C 223450996 YFGHNFVXMHLSNX-GOSISDBHSA-N 347.458 5.021 0 40 EKAB COc1ccc(C(=O)Nc2ccccc2)cc1CSc1ccccc1 224322784 XOPXLMAFEJUXRH-UHFFFAOYSA-N 349.455 5.240 0 40 EKAB O=C(O)[C@@H](Cc1cccc2ccccc12)Sc1ccc(Cl)cc1 225049553 KLHLTMCXCXSLFQ-GOSISDBHSA-N 342.847 5.281 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c(Cl)c1 225653649 JGWUCGVHHFVGIB-GOSISDBHSA-N 341.879 5.053 0 40 EKAB Cc1ccccc1C1(NC(=S)Nc2c(F)cccc2F)CCCC1 225860082 UMMJJXGLJWRIPQ-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB CC(C)CCCCCOC(=O)COc1ccc(Cl)cc1Cl 2036777 BBPLSOGERZQYQC-UHFFFAOYSA-N 333.255 5.132 0 40 EKAB biogenic,in-vitro C[C@@H](NCC[C@H](c1ccccc1)c1ccccc1O)c1ccccc1 2294878 PBCGLNLOJZZAQT-WIYYLYMNSA-N 331.459 5.265 0 40 EKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1 2455231 WHLSYIDGRHLJAS-UHFFFAOYSA-N 349.821 5.140 0 40 EKAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1Cl 2515030 QZXGLVYVIVFGFE-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB CCC[C@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3325826 YCFSVLWUDRSWBY-ZDUSSCGKSA-N 335.369 5.291 0 40 EKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1 5421571 DGAQZBTXPUFUSJ-UHFFFAOYSA-N 341.451 5.079 0 40 EKAB Cc1ccccc1C(=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810562 OTQHHWWFAIMSLS-UHFFFAOYSA-N 339.822 5.084 0 40 EKAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1nc2ccccc2s1 7922419 ORAQKWYIVQSOGA-LBPRGKRZSA-N 339.489 5.099 0 40 EKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(F)cc3)[nH]2)cc1 9199661 DSDFJTBVWUOLEJ-UHFFFAOYSA-N 341.455 5.201 0 40 EKAB Cc1ccc(CCC2CCN(C(=O)Nc3ccccc3F)CC2)cc1 12884955 OFOULSCXLZZARN-UHFFFAOYSA-N 340.442 5.011 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 14007004 WNGOXGGBFLLYGN-VIFPVBQESA-N 344.625 5.053 0 40 EKAB Fc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 16493577 XDQVIMBEZMUGQY-LJQANCHMSA-N 345.377 5.077 0 40 EKAB CC1(C)NC[C@@]2(CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)O1 20568422 XNXXTZVYIJSAOG-PSPPXZTJSA-N 345.571 5.514 0 40 EKAB CCCCc1ccc(NC(=O)c2ccccc2SC(C)C)cc1 20612801 CJSMFMJXAWHUNZ-UHFFFAOYSA-N 327.493 5.782 0 40 EKAB O=C(c1cccs1)N(Cc1cccs1)c1cccc(Cl)c1 27663444 JSFAISZBSWULLL-UHFFFAOYSA-N 333.865 5.310 0 40 EKAB C[C@@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc21 31782083 ABDWUBFVJRKGFP-GFCCVEGCSA-N 340.473 5.026 0 40 EKAB C[C@@H]1CCc2c(sc3nc(Cc4ccccc4)nc(Cl)c23)C1 35524075 RBENVBPAVNTPTG-LLVKDONJSA-N 328.868 5.060 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccccn23)cc1Cl 35616377 QQEBGAJNSSUNEF-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 44087548 VJQYQMBJWKFPLM-UHFFFAOYSA-N 328.868 5.613 0 40 EKAB Clc1cccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)c1 85345285 NRXFEHGIKVZYCA-UHFFFAOYSA-N 329.186 5.797 0 40 EKAB CCCCc1cc(=O)oc2c(C)c(O)c(-c3cc4ccccc4[nH]3)cc12 96343747 WAPPTZODZGTYLB-UHFFFAOYSA-N 347.414 5.298 0 40 EKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OC 106956590 SNIAVILIIRHNFB-UHFFFAOYSA-N 344.213 5.152 0 40 EKAB Cc1ccc(C)c(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 225759717 CEXNCZMTSLLIKH-IBGZPJMESA-N 326.509 5.296 0 40 EKAB CCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225797875 CUXJUMKIBPBZJE-QVKFZJNVSA-N 343.467 5.161 0 40 EKAB C[C@H](CC(=O)c1ccc(Br)c(Cl)c1)CC(C)(C)C 575362197 MTPPANBPZFKWSN-SNVBAGLBSA-N 331.681 5.748 0 40 EKAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1c(F)cccc1Cl 575621595 PVVHAURWACVRMO-NSHDSACASA-N 347.842 5.055 0 40 EKAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 58777 SPGVDNMNRJDLGJ-AWEZNQCLSA-N 328.843 5.173 0 40 EKAB biogenic Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 175182 LKWQMTSRKGWWJK-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 381093 FPHCZCFTBPTYFV-ZDUSSCGKSA-N 338.838 5.084 0 40 EKAB Cc1ccccc1N[C@H](c1ccncc1)c1c(C)[nH]c2ccccc12 506047 TXNMDKBTCLFQRW-JOCHJYFZSA-N 327.431 5.381 0 40 EKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1Cl 556424 GRJZYRXSILAWHU-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB CCc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 2369262 CHJGMVDZFNGHKB-UHFFFAOYSA-N 343.857 6.785 0 40 EKAB COc1ccc(/C=C/C(=O)Nc2ccc3oc4ccccc4c3c2)cc1 2657057 LCWCHRIPPVZOJR-MDWZMJQESA-N 343.382 5.247 0 40 EKAB Cc1ccccc1Nc1nnc(SCc2ccccc2F)s1 3465519 WLUCBRHLASPCBW-UHFFFAOYSA-N 331.441 5.022 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2C)N3)C1 6707712 NJQLWEYGWBLIBX-YVEFUNNKSA-N 326.465 5.000 0 40 EKAB Fc1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)cc1 8787343 RGXHUSVKWKUBRC-UHFFFAOYSA-N 346.405 5.312 0 40 EKAB Cc1nc([C@@H](Cc2ccsc2)NCc2cccc(F)c2)sc1C 19559900 GGAZKYUXWIFONB-QGZVFWFLSA-N 346.496 5.034 0 40 EKAB Cc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 19738240 ROXZANZBQOJATR-UHFFFAOYSA-N 333.431 5.065 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 20456698 BBDNRZJWRVHRPK-SFHVURJKSA-N 339.822 5.289 0 40 EKAB Cn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21 24871527 VHEJHKFSFZZQRL-UHFFFAOYSA-N 342.398 5.223 0 40 EKAB Cc1cc(C)cc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44837916 HLPJEQFFCDVAAA-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB COc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 44900458 WHZCQMXCPCZRQI-AWEZNQCLSA-N 345.398 5.086 0 40 EKAB CCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 55433684 MZWDNWGOALGHNY-FUDKSRODSA-N 335.491 5.570 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351796 PAOWNFOZJUZBNE-NHCUHLMSSA-N 339.479 5.037 0 40 EKAB CC[C@@H](C)c1ccc(NCn2nc(-c3cccs3)oc2=S)cc1 59488495 GZUINAMIQWFEAU-GFCCVEGCSA-N 345.493 5.517 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)c(F)c1 71326078 AAIQBABAEQJCFW-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1cccc(OC(F)F)c1NC(=O)c1cccc(-c2ccoc2)c1 89788621 FCJWBWCFQLVCGH-UHFFFAOYSA-N 343.329 5.109 0 40 EKAB Cc1cccc(C)c1OCCCCn1c2ccccc2c2ccccc21 95116851 BYVQDTGGCVWHEO-UHFFFAOYSA-N 343.470 6.271 0 40 EKAB Cc1[nH]c(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1-c1ccccc1 95468326 VCAPIEAQMURSAA-UHFFFAOYSA-N 345.358 5.220 0 40 EKAB Fc1cc(-c2ccc(Br)cc2)ccc1OC(F)(F)F 95740188 XLVNRPWLRKXNHU-UHFFFAOYSA-N 335.094 5.154 0 40 EKAB CC(C)CCCCCOC(=O)/C=C\C(=O)OCCCCCC(C)C 100040141 QIGLLCHDIZAZFE-YPKPFQOOSA-N 340.504 5.062 0 40 EKAB CCCNCc1c(C)n(CC(C)C)c2ccc(O[C@H](C)CC)cc12 223768078 ZNPQWKBXMFVXQX-MRXNPFEDSA-N 330.516 5.283 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(C)c(C)c1 225710899 WCQSAXXIXHZDGF-INIZCTEOSA-N 334.435 5.019 0 40 EKAB Cc1ccc([C@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)cc1 225752801 VNYIORLOMQFUOY-JOCHJYFZSA-N 329.443 5.131 0 40 EKAB CCCCCCn1c(-c2ccccc2)csc1=Nc1ccccc1 252676509 XHCNCWPBQPUGMV-UHFFFAOYSA-N 336.504 6.029 0 40 EKAB Cc1c(C(=O)Nc2ccccc2Oc2ccccc2)oc2ccccc12 414659 DQCMPEBNFNDAGZ-UHFFFAOYSA-N 343.382 5.786 0 40 EKAB O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1cccc(Cl)c1 502130 KVJRVPKUFYHIPP-UHFFFAOYSA-N 326.779 5.184 0 40 EKAB C[C@@H]1CCC[C@@H](C)[N+]1=C(Nc1cccc(Cl)c1)c1ccccc1 1730722 FFFBHEBVAARNQH-HZPDHXFCSA-O 327.879 5.172 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CCCCC1 2515529 TVPJJIXKYYPGIN-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB Cc1ccc(Sc2nnc(Cc3ccccc3)c3ccccc23)cc1 3134947 UOTZJZYNWWBLMX-UHFFFAOYSA-N 342.467 5.680 0 40 EKAB CCCCOc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 4451868 BNAMPHZYOWZKPU-UHFFFAOYSA-N 327.468 5.020 0 40 EKAB COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)cc(OC)c1 7141209 IUOQGZRIFNFIDV-AATRIKPKSA-N 325.433 5.101 0 40 EKAB CCCc1cc(-c2nc(-c3cccc4ccccc34)cs2)ccn1 8040483 VWNDXIPPZGXBES-UHFFFAOYSA-N 330.456 5.978 0 40 EKAB C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 8261927 NENQOGCKNTXPOS-LLVKDONJSA-N 340.275 5.254 0 40 EKAB Clc1ccc(CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 9197935 WYXZMWWAASJLCH-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB COc1ccc(Cl)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10333163 NVWMYXNWKXFLFR-UHFFFAOYSA-N 345.870 5.217 0 40 EKAB O=C1C[C@H](c2cccs2)Cc2nccc(-c3ccc(Cl)cc3)c21 13628469 SPXAYKQQLXEBBB-CYBMUJFWSA-N 339.847 5.376 0 40 EKAB O=C(Nc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 16890227 HREFILRIXBWJKC-UHFFFAOYSA-N 347.802 5.247 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1C 20493417 UPMNCZSUTWFIOI-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB CCSc1ccccc1NC(=O)CSc1ccc(Cl)cc1 22514044 SAVMELMGJNVHDL-UHFFFAOYSA-N 337.897 5.183 0 40 EKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 22528671 FADOVNYIFQIMOF-LBPRGKRZSA-N 335.806 5.009 0 40 EKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 30854327 LNZBHJLQQARQHM-QGZVFWFLSA-N 345.442 5.243 0 40 EKAB COc1ccc(C)cc1NC(=O)CS[C@H](C)c1ccccc1Cl 40161380 INXMFAUTFPZALE-CYBMUJFWSA-N 349.883 5.090 0 40 EKAB Clc1ccc(-c2noc(-c3cc(Cl)nc4ccccc34)n2)cc1 67225227 LLDXLJARZZBYTL-UHFFFAOYSA-N 342.185 5.259 0 40 EKAB C[C@H](NC(=O)N1CC[C@@H](c2ccccc2)C1)c1cccc2ccccc12 84656389 OYEOGVZNEWJTJB-FXAWDEMLSA-N 344.458 5.100 0 40 EKAB CC(C)c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 96170984 OPNTYAJEURHBLV-UHFFFAOYSA-N 338.329 5.353 0 40 EKAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 195559828 CXNRHJXUBPSSBF-ZRCGQRJVSA-N 333.475 5.298 0 40 EKAB O=C(NC1CCCCCCC1)c1cc2cc3ccccc3nc2s1 223134081 RUXUOVOVBPGXDC-UHFFFAOYSA-N 338.476 5.292 0 40 EKAB CCCO[C@]1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCC[C@@H](C)C1 225666073 OZMACSUJALIDKX-QVKFZJNVSA-N 347.499 5.016 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3ccc(F)cc3F)CCCC2)c1 225857154 ZHGFHCWSJMSUSM-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB C[C@H](CC(=O)c1ccccc1OC(F)(F)C(F)F)CC(C)(C)C 575360052 BZDVMQRCTCIKHH-LLVKDONJSA-N 334.353 5.568 0 40 EKAB CN(C)c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 3898224 RLZQREWJMDDKOA-HSZRJFAPSA-N 341.458 5.108 0 40 EKAB CC(/C=C/c1ccccc1)=N\NC(=S)Nc1cccc(Cl)c1C 5445542 JPCLWMBCEMJGRH-ZTODFXQUSA-N 343.883 5.024 0 40 EKAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1 5656112 ZVRWECHSZKIITD-UHFFFAOYSA-N 346.455 5.318 0 40 EKAB aggregator CCc1cccc(C)c1NC(=O)COc1ccc(-c2ccccc2)cc1 5911827 SKJJCBBBFLFHGL-UHFFFAOYSA-N 345.442 5.242 0 40 EKAB CCCCc1ccc2nc(C)c(CN(CC)CCCC)c(O)c2c1 8717213 JLRMCMXNFJHMGX-UHFFFAOYSA-N 328.500 5.213 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(F)cc1F 10373167 MRJUQQINNPJDLG-UHFFFAOYSA-N 341.382 5.368 0 40 EKAB COc1ccc(C)cc1NC(=O)c1cc2c(Cl)cccc2s1 14166093 FLAAJRPHNBXMGX-UHFFFAOYSA-N 331.824 5.124 0 40 EKAB CSc1ccc(-c2cc(C)[o+]c(-c3ccc(SC)cc3)c2)cc1 16382794 UTLBZERAZVTUQI-UHFFFAOYSA-N 339.505 6.647 0 40 EKAB C[C@@H](NC(=O)Nc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 17068484 VACRUVVHKJBPDY-XUXNNNHQSA-N 332.875 5.066 0 40 EKAB Cc1cc(C)c2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2c1 28228391 REWFNEGQZOAJBZ-UHFFFAOYSA-N 347.336 5.629 0 40 EKAB CN(Cc1c(-c2ccc(F)cc2)[nH]c2ncccc12)C1CCCCC1 57762051 XPFBQGBGVHGREW-UHFFFAOYSA-N 337.442 5.134 0 40 EKAB O=C(CCSc1ccccc1)Nc1cc(Cl)cc(Cl)c1 59244593 ZAAQKOACVROOHV-UHFFFAOYSA-N 326.248 5.114 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccc(C)c(C)c1 219318256 CIXJYWKUVJJOJY-LEWJYISDSA-N 339.479 5.037 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)CCc2ccccc2Cl)cc1C 223478436 OOASWNNTMVSEJN-INIZCTEOSA-N 329.871 5.075 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)c(C)c1 225709428 BWLMTJHZBKLXRQ-FQEVSTJZSA-N 340.536 5.865 0 40 EKAB CC(C)c1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1 408975665 BWYFLGYZOZHIJI-RZZJTRJGSA-N 340.423 5.005 0 40 EKAB Cc1ccc(-c2[nH]c(=Nc3cccc4ccccc34)sc2C)c(C)c1 409048147 QOAZHGMNMVYXPH-UHFFFAOYSA-N 344.483 6.054 0 40 EKAB CC1(C)CCc2ccccc2[C@@H](NCc2cnc(O)c3ccccc23)C1 1645397205 FXEYQYVLRNKEGH-NRFANRHFSA-N 346.474 5.134 0 40 EKAB S=C(Nc1ccccc1)N1c2ccccc2Sc2ccccc21 159710 QLNVWAAVVMRXMB-UHFFFAOYSA-N 334.469 5.686 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 326301 YQLCYEJDYPSAMU-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2ccccn12 427547 BEHNKCPKAMRFQW-UHFFFAOYSA-N 333.822 5.707 0 40 EKAB CC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 503852 DECAZZLVVPAGES-UHFFFAOYSA-N 344.439 5.415 0 40 EKAB O=C(c1ccccc1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 2161183 CGODCJFDRZPZFJ-HXUWFJFHSA-N 338.859 6.056 0 40 EKAB Fc1c(F)c(Sc2nc3ccccc3s2)c(F)c(F)c1Cl 2334188 QKLMUHFSLOUDMO-UHFFFAOYSA-N 349.761 5.657 0 40 EKAB COc1ccc(CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 4666578 ZTUZCPINJPXQQK-UHFFFAOYSA-N 325.452 5.123 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](C5CCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4727167 RBCMLWGBXWRMNN-OPKHLUCYSA-N 344.583 6.196 0 40 EKAB biogenic,in-vitro CCc1ccc2occ(CC(=O)Nc3cccc(Cl)c3C)c2c1 6809759 NSYRCQXSOOWTHJ-UHFFFAOYSA-N 327.811 5.138 0 40 EKAB Cc1cccc(NCC(=O)Nc2ccccc2Oc2ccccc2)c1C 7953578 ARGNTBSAECGCTH-UHFFFAOYSA-N 346.430 5.146 0 40 EKAB CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 14258289 NXJAZXDMERGMSR-UHFFFAOYSA-N 327.733 5.174 0 40 EKAB Cc1cccc(CSCCOCCSCc2cccc(C)c2)c1 16349386 AHFCNLALMLHZOI-UHFFFAOYSA-N 346.561 5.487 0 40 EKAB Cc1ccc(C)c(OCCNc2cccc(OCc3ccccc3)c2)c1 19738466 TYVQRTDSOBQOGY-UHFFFAOYSA-N 347.458 5.373 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)ccc1C)c1ccc(C)cc1 20042773 IVDTWFMTHKZEDN-VQTJNVASSA-N 339.479 5.037 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC)c1ccc(C)cc1 20042778 IVDTWFMTHKZEDN-PMACEKPBSA-N 339.479 5.037 0 40 EKAB FC(F)(F)c1ccccc1Nc1nc2ccc(Cl)cc2s1 89065132 QTOTZUXPOKSIFT-UHFFFAOYSA-N 328.746 5.712 0 40 EKAB O=C(O)[C@H](Cc1cccc2ccccc12)Oc1ccc2ccccc2c1 225049402 IXUZAYQYIWXFEP-QFIPXVFZSA-N 342.394 5.068 0 40 EKAB CCCCc1ccc(C[C@H](Sc2ccc(C)cc2)C(=O)O)cc1 225129493 JBXHLFOTIACVCB-IBGZPJMESA-N 328.477 5.126 0 40 EKAB Cc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)c2ccccc2)cc1 225437797 MTAMKSCCRCGOGQ-QFIPXVFZSA-N 349.861 5.097 0 40 EKAB COc1c(C)cc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225535399 HHDBJBIVCIFJRR-UHFFFAOYSA-N 337.463 5.153 0 40 EKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 207713 BELLZJOEHBTPBT-NRFANRHFSA-N 328.415 5.020 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1ccncc1 506020 MRHUTOXNFGNPFA-NRFANRHFSA-N 347.849 5.726 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 1055279 LDWOCVLKNFPNQW-OJOWTSHBSA-N 345.486 6.107 0 40 EKAB CCCCOc1ccc([C@@H](C)c2cc3c(cc2OCC)OCO3)cc1 1583047 RNLSYWVUGSLWQN-OAHLLOKOSA-N 342.435 5.145 0 40 EKAB Oc1c(N(Cc2ccccc2)Cc2ccccc2)ccc2cccnc12 1688841 XVFCILQXWIJWMQ-UHFFFAOYSA-N 340.426 5.147 0 40 EKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2)cc1 2498414 BPHYAIADAVEZEC-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB c1ccc(CSc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 3050296 ZONDDYRCKHDEED-UHFFFAOYSA-N 344.439 5.696 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(Cl)c3)ccc21 3200043 JMGAIFDXMJGBNV-UHFFFAOYSA-N 348.833 5.720 0 40 EKAB Cc1ccc(-c2cc(C(F)F)nc(NCc3ccccc3)n2)cc1 3896184 GDQLGLYSBWJHJV-UHFFFAOYSA-N 325.362 5.002 0 40 EKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)C1CCCCC1 4292208 IVDMKPBVEVXDJZ-UHFFFAOYSA-N 329.252 5.122 0 40 EKAB S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1Cl 4708177 UUCLGJZYAIRRDS-UHFFFAOYSA-N 345.899 5.051 0 40 EKAB O=C(O)c1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1 4711781 HBMQPEASWNXLLA-UHFFFAOYSA-N 346.411 5.405 0 40 EKAB CCCC1(CCC)OC[C@@H](Cn2c3ccccc3c3ccccc32)O1 5261136 KXRPEINUCCUDJA-QGZVFWFLSA-N 337.463 5.506 0 40 EKAB Cc1cccc(-n2cc(-c3ccc(Cl)c(Cl)c3)[nH]c2=S)c1 5337815 ZRBLODUPBADOMC-UHFFFAOYSA-N 335.259 5.817 0 40 EKAB Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1Cl 5516948 MOCFSQUCOQSFAF-QGZVFWFLSA-N 336.262 5.680 0 40 EKAB Nc1snc2c1[C@H](c1cccc(F)c1)c1c(ccc3ccccc13)O2 5704958 UYPZCSJWFSEFMX-MRXNPFEDSA-N 348.402 5.304 0 40 EKAB O=C(c1ccccc1)c1sc(N2CCCCC2)nc1-c1ccccc1 5775557 IGFMHGPIWUQGKF-UHFFFAOYSA-N 348.471 5.031 0 40 EKAB Cc1ccsc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 5885994 GZPHTBCKRIWATJ-UHFFFAOYSA-N 342.467 6.199 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 12026417 XCNWPIVNAMBAKR-GOSISDBHSA-N 337.507 5.970 0 40 EKAB CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CCCCC4)[nH]c(=O)c23)C1 13534391 IBDCYXWLERSRJC-CYBMUJFWSA-N 344.524 5.183 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(F)cc3)ccc21 20501564 WHQWCRLDMDPZPJ-UHFFFAOYSA-N 346.405 5.135 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1c(C)cccc1C(C)C 22527949 CWESIFQGTNMZCJ-KRWDZBQOSA-N 345.870 5.568 0 40 EKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)[C@@H](C)c1ccccc1 25615984 YNIOYXCCHQPBSZ-AWEZNQCLSA-N 338.838 5.030 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccc(Cl)cc1 28294186 IQDPLIHISAQUOO-XYPHTWIQSA-N 340.916 5.436 0 40 EKAB CC(C)(C)c1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1 59484723 NPSFAKTYINQYHC-UHFFFAOYSA-N 341.454 5.484 0 40 EKAB c1ccc(Cn2c(-c3cccs3)cs/c2=N\c2ccccc2)cc1 102476744 FIGCNIDUGRNPNV-MRCUWXFGSA-N 348.496 5.559 0 40 EKAB CCC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2OC(C)=O)C1 118915182 WYXLHJNYQBRALN-MHYDGWTMSA-N 344.539 5.907 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c(C)c1 225030335 CXOGFBHJHIQTEC-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB Cc1ccc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1C 225586771 WDAGHANIBBSKFC-FQEVSTJZSA-N 349.474 5.260 0 40 EKAB CCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)c2ccccc12 225942455 YUMWXIYDVUOKMM-UHFFFAOYSA-N 347.458 5.446 0 40 EKAB CCc1ccccc1NCc1ccc(OCc2ccccc2)c(OC)c1 409116526 OBJBBCLJXKBUKN-UHFFFAOYSA-N 347.458 5.449 0 40 EKAB COc1cccc(Nc2ncnc3sc(C)c(-c4ccccc4)c23)c1 1915550 UYIYHRDLHQGRNB-UHFFFAOYSA-N 347.443 5.419 0 40 EKAB Fc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)cc1 3118219 GYBCPOUHHCDPCV-HSZRJFAPSA-N 329.418 6.473 0 40 EKAB CCc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 4689062 DCWZBGMNDMDEHF-UHFFFAOYSA-N 325.795 5.415 0 40 EKAB Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]34CO[C@H]2[C@H]14 4972891 UGGAILYEBCSZIV-DUYZSDFPSA-N 342.479 5.146 0 40 EKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 5463991 WHEOGUFTNJSMOY-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CC(C)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 5482009 NCJIWPLINGVMGO-UHFFFAOYSA-N 343.470 5.653 0 40 EKAB C(=C/c1nc2ccccc2s1)\c1cccc(OCc2ccccc2)c1 5519623 HNOKKTJUUIHYHB-BUHFOSPRSA-N 343.451 6.046 0 40 EKAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(C)c2)cc1 9721379 INKGOCVMCVDUCG-HXUWFJFHSA-N 338.451 5.153 0 40 EKAB Cc1nc(NC(=O)c2c(F)cccc2Cl)sc1-c1ccccc1 31968401 YQLHZLRCGBTJMZ-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 33654629 IVVHDNHOTVKCRS-UHFFFAOYSA-N 342.870 5.316 0 40 EKAB COc1ccc(OCCCCn2c(C(C)C)nc3ccccc32)cc1 40231356 IBEATBPXXPWTJS-UHFFFAOYSA-N 338.451 5.028 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 40913159 OQNLRKVCXRLHGY-CVEARBPZSA-N 339.907 5.057 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccccc1 44904363 XXTJRGRFOXQXJB-YLJYHZDGSA-N 341.520 5.212 0 40 EKAB CC[C@@H](Sc1nnc(NC2CC2)s1)c1ccc(Cl)cc1 48368501 RLHQVHLTQACJQW-GFCCVEGCSA-N 325.890 5.009 0 40 EKAB CC(C)(C)c1ccc(-c2nnc(NC(=O)C3CCCCC3)s2)cc1 59475009 IULKJONDSHMULK-UHFFFAOYSA-N 343.496 5.021 0 40 EKAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 78458134 DKBRLYVKQPJRMW-IRXDYDNUSA-N 347.458 5.047 0 40 EKAB Clc1cc(Br)ccc1-n1c(Cl)nc2ccccc21 95915878 DDJPQMKMFMJFCA-UHFFFAOYSA-N 342.023 5.095 0 40 EKAB O=Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 216846849 MTLAKAYGLRGORP-UHFFFAOYSA-N 333.573 5.177 0 40 EKAB CC(C)c1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4)c3)nc2c1 226308308 TZQFUPIWWVRCAA-UHFFFAOYSA-N 347.413 5.093 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 254352010 XEZQBYJNDKLOTM-DVOMOZLQSA-N 341.373 5.613 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c(C)c1 175156 HHDWEKMPZMZFLD-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB O=c1oc2cc3occ(-c4ccc(F)cc4)c3cc2c2c1CCCCC2 489651 CXIFRPWRFKNITK-UHFFFAOYSA-N 348.373 5.614 0 40 EKAB biogenic CCN(CC)CCCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 1729626 MXGGYCYYCOWYGB-HNNXBMFYSA-N 333.907 5.201 0 40 EKAB CCCCC[C@H]1[C@@H](O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 1802113 YIBLLNKVEAJJCJ-GSPCLOLRSA-N 337.507 5.362 0 40 EKAB CCCCc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 1909340 HOLOUPDDVCEFJN-UHFFFAOYSA-N 325.452 5.170 0 40 EKAB Cc1ccc(CSCC(=O)Nc2cccc(Cl)c2Cl)cc1 6476566 CIMBTEGKACWSMP-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 7558021 HZZYUQPTTVDLSW-NRFANRHFSA-N 346.499 5.379 0 40 EKAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CCCCC2)cc1 8048458 NEBIJQYBHKUYAA-FCQUAONHSA-N 348.515 6.263 0 40 EKAB COc1cccc(-c2nc(-c3ccc(Cl)s3)cs2)c1OC 12880745 GYUAVXAYWYVBHR-UHFFFAOYSA-N 337.853 5.209 0 40 EKAB Cc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 13820588 LGNHGUTZTFUZLL-UHFFFAOYSA-N 332.472 5.071 0 40 EKAB CCCCc1ccc(NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 13935128 AMKVOZKHKZTUSP-UHFFFAOYSA-N 348.899 5.500 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl 17072631 YQFVZVASCFQEHC-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB CCOc1cc(C=O)ccc1OCC12CC(C[C@H](C)C1)C[C@@H](C)C2 17781297 GKTRPNDNNNRIIW-QIMBPPIPSA-N 330.468 5.129 0 40 EKAB Cc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)c1 27739876 HWODJEKFNOADDP-UHFFFAOYSA-N 344.458 5.360 0 40 EKAB Clc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)s1 84525693 ZANUVQKGWJMOEG-GOSISDBHSA-N 327.880 5.475 0 40 EKAB CCCC(CCCCN(CC)CC)(c1ccccc1)c1ccccc1 96194482 KNUCRCOKNJMPFR-UHFFFAOYSA-N 337.551 6.285 0 40 EKAB CC(C)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211502055 PVQKTWLAHWWDIW-BOPFTXTBSA-N 339.416 5.169 0 40 EKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1CCCC1 225277581 HFHDKDKUJMQGFM-UHFFFAOYSA-N 342.533 5.208 0 40 EKAB Cc1cc(C)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 225638147 IDIUEHJVJBJULI-UHFFFAOYSA-N 343.470 5.454 0 40 EKAB CC[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(C)cc1C 225713653 UZARWNXCBJREKC-MRXNPFEDSA-N 332.900 5.395 0 40 EKAB CCCOc1ccccc1CNc1ccc(Br)cc1C 408609170 LYNUYLKXWLVORC-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB COc1ccc([C@H](C)NC(=O)c2sc3ccccc3c2Cl)cc1 206457 UZKIMOBSAKLHHB-NSHDSACASA-N 345.851 5.054 0 40 EKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2F)c1 520497 RNBAVDWJYZLKJF-NRFANRHFSA-N 346.405 5.214 0 40 EKAB CCCCC[C@@H](C)NC(=O)c1cc(-c2ccco2)nc2ccccc12 2753156 QRKXOGZILQIMPS-OAHLLOKOSA-N 336.435 5.193 0 40 EKAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccc(C)c(C)c1 3456173 GJVMWNWFJQTJCO-UHFFFAOYSA-N 329.871 5.263 0 40 EKAB CCC[C@]1(O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C(C)C 4084635 VKZWRJPZKYCXEQ-ACESQOTJSA-N 337.507 5.266 0 40 EKAB COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1C 4672661 FIMODRKSBJFQQV-UHFFFAOYSA-N 330.840 5.524 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCCC2 5404108 JGMZBCTYXQHZGR-UHFFFAOYSA-N 343.426 5.610 0 40 EKAB CCc1ccccc1NC(=S)NC(c1ccccc1)c1ccccc1 7351651 QWXBYCATYBBERH-UHFFFAOYSA-N 346.499 5.325 0 40 EKAB Cc1cccc(C)c1NC(=O)c1sc(-c2ccsc2)nc1C 12877119 SZRRMOKOSIUCKW-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccccc3C)ccc2c1 12981546 VIHQRFBAEAGQMF-IAGOWNOFSA-N 347.458 5.138 0 40 EKAB Fc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13792017 XKJGJHJBCDCXGZ-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)cc(O)cc1O 14612909 JWDIUXFSIWOGDP-VZRGJMDUSA-N 328.496 6.368 0 40 EKAB endogenous,in-man Cc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)nc1 21364446 HRDVUFUNEZSKQF-UHFFFAOYSA-N 346.253 5.020 0 40 EKAB CCCCc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 32999781 HWLUQVWMMIIRBF-UHFFFAOYSA-N 336.262 5.517 0 40 EKAB C[C@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 57294283 UZUCCSMLMFNSDR-LQGLAIQGSA-N 339.482 6.134 0 40 EKAB Cc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c(C)c1 66012437 MJJXQXKYNFAHSM-QGZVFWFLSA-N 340.536 5.346 0 40 EKAB CCc1ccc(-c2csc(Nc3cccc(NC(C)=O)c3)n2)cc1 96761105 WLUINUQJAABSHZ-UHFFFAOYSA-N 337.448 5.075 0 40 EKAB O=C([C@H]1C[C@H]2CC[C@]13CCCC[C@@H]23)[C@@H]1C[C@@H]2CC[C@]13CCCC[C@H]23 103843300 FHJVXHGAKSPDDK-QEOGEGJVSA-N 326.524 5.769 0 40 EKAB Cc1cccc([C@@H](NC(=O)c2cc(C)c(C)cc2C)c2ccccc2)c1 225650661 GLPJUPAJKJNVHT-QHCPKHFHSA-N 343.470 5.440 0 40 EKAB CCCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCC1 225658301 MFJGPZUFZOYCEA-UHFFFAOYSA-N 347.499 5.159 0 40 EKAB CCOc1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 225761393 MITUOIJPJQHWHA-IBGZPJMESA-N 342.508 5.077 0 40 EKAB Cc1cc(C)cc(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225842476 UKLPKNXMVYQHHD-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 245295376 DMOLYKQEFOZAPA-TZOBPFOUSA-N 347.458 5.160 0 40 EKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1O 409121300 XWCPDMFWYICMLE-UHFFFAOYSA-N 326.223 5.018 0 40 EKAB Cc1ccc2nc(-c3cccs3)c(Nc3ccc(C(C)C)cc3)n2c1 427507 BTUZZQAWGAPRQV-UHFFFAOYSA-N 347.487 6.238 0 40 EKAB Clc1ccc(Oc2ncccc2-c2nc3ccccc3s2)cc1 1383364 GLRUHMXESXDUOX-UHFFFAOYSA-N 338.819 5.804 0 40 EKAB CC(C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2646145 RGTASMZHZYWGFP-UHFFFAOYSA-N 329.856 5.088 0 40 EKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 4309546 NDUZQANWPHPCSC-SNVBAGLBSA-N 326.248 5.113 0 40 EKAB COc1ccc(OC)c([C@H]2O[C@@H]3CCCC[C@@H]3c3sc(C)cc32)c1 4770140 HOBBDLHPRHUDAZ-GDIGMMSISA-N 344.476 5.220 0 40 EKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(C)CC2)o1 5576781 STVKTSAOIDLEAQ-TUVDCLKLSA-N 336.435 5.038 0 40 EKAB N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccc(Cl)cc1 5996166 WABFEUAZVWSORC-WJDWOHSUSA-N 349.773 5.362 0 40 EKAB Fc1ccc([C@H](CCNc2nccs2)c2ccc(Cl)cc2)cc1 6764590 BRSPFKPWBHGLKD-QGZVFWFLSA-N 346.858 5.570 0 40 EKAB CSc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 9094960 SOCYKHAWFCXOQT-UHFFFAOYSA-N 333.412 5.560 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(C)cc1 20488274 WEPNBHXUCHXRFP-SFHVURJKSA-N 347.911 5.178 0 40 EKAB CCn1c(-c2ccccc2)cs/c1=N\c1cccc2ccccc12 26508769 DALIEISLZXFPLE-DQRAZIAOSA-N 330.456 5.622 0 40 EKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccccc1F 32845913 RAYIVWNAFVSCDP-NRFANRHFSA-N 345.373 5.091 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)c(C)c1 33027684 BTTWYQXBAVTZPE-UHFFFAOYSA-N 347.458 5.752 0 40 EKAB C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)c1ccc(Cl)s1 40086409 KQGSFWBPVBNXOZ-OCAPTIKFSA-N 349.308 5.238 0 40 EKAB Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)c1 96037340 NLHHUSSNAHCIGA-UHFFFAOYSA-N 345.446 5.275 0 40 EKAB CC(C)[Si](c1c(F)cc(Br)cc1F)(C(C)C)C(C)C 196172412 ZJJUKGMYXQYTAM-UHFFFAOYSA-N 349.335 5.613 0 40 EKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(C)c2)cc1C(C)C 223379120 HKIDQQWESBIIQD-KRWDZBQOSA-N 339.479 5.235 0 40 EKAB CC1(C)c2cc(Br)ccc2-c2c(-c3ccccc3)cccc21 2382215931 MNLKPUYYGLJSRW-UHFFFAOYSA-N 349.271 6.422 0 40 EKAB c1ccc([C@H]2[C@@H]3CCCC[C@]3(N3CCCC3)ON2c2ccccc2)cc1 2184613 SQSXAQLOKCEYPF-VABKMULXSA-N 348.490 5.162 0 40 EKAB CC[C@@H](C)c1cc(C(C)(C)c2ccc(O)c([C@H](C)CC)c2)ccc1O 2564437 XCUMMFDPFFDQEX-HZPDHXFCSA-N 340.507 6.451 0 40 EKAB O=c1c(-c2ccccc2)c(Cl)c2ccccc2n1-c1ccccc1 2564958 DFXZUZIUJXQRRO-UHFFFAOYSA-N 331.802 5.311 0 40 EKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cccc2ccccc12 3422878 HVCIZFDGHLTWOD-JLHYYAGUSA-N 339.341 5.093 0 40 EKAB COc1ccc2c(c1)-c1c(s[s+]c1SC(C)=O)C(C)(C)N2 4314847 HHJPVQDPOWFUBX-UHFFFAOYSA-N 338.499 5.066 0 40 EKAB Cc1ccccc1Nc1c(-c2ccc(O)cc2)nc2cccc(C)n12 4733777 WYJBMFQJMBLBLK-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB Cc1nc(Nc2cccc(O)c2)c2c(-c3cccs3)csc2n1 5687531 SJWKORAECWYDIG-UHFFFAOYSA-N 339.445 5.177 0 40 EKAB CCCCc1ccc(NC(=O)CSCc2ccccc2Cl)cc1 6653073 YMJFFIGWFOTXNZ-UHFFFAOYSA-N 347.911 5.555 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)cc2)N3)C1 6934497 BTLZWCYTWRIKAH-YVEFUNNKSA-N 326.465 5.000 0 40 EKAB O=C(/C=C/c1ccc(-c2ccccc2)s1)Oc1cccc(Cl)c1 7814795 JJXCYLMSCIINLI-ZRDIBKRKSA-N 340.831 5.687 0 40 EKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 9141344 CCMQQUATXCXYLG-UHFFFAOYSA-N 344.414 5.633 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)O 12495672 TWSWSIQAPQLDBP-CGRWFSSPSA-N 332.528 6.997 0 40 EKAB in-man C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cc2ccccc2o1 12901480 OJMXPVXOPYUWFL-SNVBAGLBSA-N 334.202 5.231 0 40 EKAB Cc1cc(C)cc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 12976046 DPEDLGFDFUSNAY-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB Cc1ccccc1CNC(=O)N1c2ccccc2Sc2ccccc21 13717112 XLFILLPDSZFJNE-UHFFFAOYSA-N 346.455 5.508 0 40 EKAB Nc1cc(Br)ccc1Oc1ccc(-c2ccccc2)cc1 14631016 NHMNTYPGYJNMOO-UHFFFAOYSA-N 340.220 5.491 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 20460369 OIWAKQYYWDUTHF-FQEVSTJZSA-N 339.479 5.442 0 40 EKAB O=C(c1sc2ccccc2c1Cl)N1CCC[C@H]1c1cccs1 22131759 RJOCPYCDLDMTCQ-LBPRGKRZSA-N 347.892 5.594 0 40 EKAB CC(C)(c1ccccc1)c1ccc(OCC2CCNCC2)c(Cl)c1 42775470 HQQQZOOBIMJSJD-UHFFFAOYSA-N 343.898 5.044 0 40 EKAB Cc1cc(Nc2ccccc2C(=O)O)c2c(Cl)cc(Cl)cc2n1 78401709 FWHMUVHURFKKGZ-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB O=C(c1cccc(Oc2ccccc2)c1)c1ccnc2ccccc12 83325676 NFAILPRRSZRXTL-UHFFFAOYSA-N 325.367 5.258 0 40 EKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c3c([nH]c12)CCCC3 96604255 OIGOFBWOIQZVBX-UHFFFAOYSA-N 342.801 5.092 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 107021234 PPNQLSSMAQHDCO-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1cccc(NC(=O)c2cc3cc4ccccc4nc3s2)c1C 223127647 IXEYSEDXDSTLOP-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 224300169 PZABCOWNBANFRE-QGZVFWFLSA-N 337.507 5.357 0 40 EKAB Cc1cccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c1C 225255261 IXZCQFYXECSOAU-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CCCOC1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCCCCC1 225660229 AHJUEZCGLCLLMA-UHFFFAOYSA-N 347.499 5.160 0 40 EKAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225822896 LMUKOEWLLXJQAC-NRFANRHFSA-N 343.467 5.161 0 40 EKAB C[C@@]12CC[C@@]3(C)[C@]4(C)CC[C@@H](N)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242495957 GUXFHNRYBUPJIM-XKGWPCTASA-N 347.587 5.278 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C[C@@H]1O[C@@H]1CCCC(=O)OC 299888781 XGESKIWNDBIILZ-MSFIFGGDSA-N 334.500 5.516 0 40 EKAB CCc1ccc(-n2c(C)nnc2SCc2ccc(Cl)cc2)cc1 409097630 NMANOMJBGOHULX-UHFFFAOYSA-N 343.883 5.084 0 40 EKAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(C)cc1 98440 ROVYAGFOVFQAFT-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB C[C@H]1CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2ccccc21 169761 KCQPUOBABCOMQG-ZDUSSCGKSA-N 328.843 5.664 0 40 EKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 187544 PMSHRZMEDDFETM-UHFFFAOYSA-N 338.410 5.463 0 40 EKAB Cc1ccc2oc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nc2c1 194246 VYAKIIDDRIRBBS-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB CCc1cc2c(=O)c(-c3cc4ccccc4o3)c(C)oc2cc1OC 518778 PZDHKAGOSNLWQC-UHFFFAOYSA-N 334.371 5.086 0 40 EKAB biogenic O[C@H]1c2cccn2-c2cc(Cl)ccc2S[C@H]1c1ccccc1 1607431 BOKTVCCWYWMDJW-ROUUACIJSA-N 327.836 5.011 0 40 EKAB O=C(Nc1nc2c(F)cccc2s1)c1cc(Cl)sc1Cl 2723815 BICSPILOWBITKF-UHFFFAOYSA-N 347.223 5.056 0 40 EKAB Cc1ccc(Oc2ccccc2NC(=O)Cc2ccc(C)c(C)c2)cc1 3344926 CWLSMRFYGDPTBI-UHFFFAOYSA-N 345.442 5.585 0 40 EKAB Clc1ccc(/C=C(/Oc2ccc(Cl)cc2)c2ccn[nH]2)cc1 4024466 LQCROZIUMBIRHA-GZTJUZNOSA-N 331.202 5.294 0 40 EKAB Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 4256397 WTPHVBRBJJLSKL-IFMALSPDSA-N 344.389 5.068 0 40 EKAB c1ccc([C@H]2[C@@H](c3ccccc3)Sc3sc4ccccc4[n+]32)cc1 4721286 NQXQWJMGTKGKEG-VQTJNVASSA-N 346.500 5.625 0 40 EKAB Cc1cc(-c2ccccc2)nc(SCc2c(F)cccc2Cl)n1 6550988 RYFXVSHUBGQGCZ-UHFFFAOYSA-N 344.842 5.537 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc2c(c1)CCC2 6850162 QSSSJIOPUJPOOJ-UHFFFAOYSA-N 333.456 5.059 0 40 EKAB Cc1cccc(CSCC(=O)Nc2c(C)cccc2C(C)C)c1 7208804 QVENLOWJNJXRDJ-UHFFFAOYSA-N 327.493 5.299 0 40 EKAB CCCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 12419882 QIZOJKOLXGGKJP-UHFFFAOYSA-N 347.289 6.124 0 40 EKAB O=C(Nc1cccc2ncccc12)c1ccc(SC(F)(F)F)cc1 12819454 JDOUBVRIVYAYNS-UHFFFAOYSA-N 348.349 5.099 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)c1 13931208 SJLJOAUADQAESO-GFCCVEGCSA-N 336.863 5.144 0 40 EKAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc2ccccc12 14602061 UKMQJULNTIDFFW-ZDUSSCGKSA-N 343.348 5.350 0 40 EKAB CCOCc1c(C(=O)Nc2ccc(F)cc2Cl)oc2ccccc12 15009824 YGXYJXWBYNSCAH-UHFFFAOYSA-N 347.773 5.014 0 40 EKAB CC(C)c1ccccc1NC[C@@H](C)Oc1ccc(C(C)(C)C)cc1 19738329 QIZWQQNJSOCGEU-QGZVFWFLSA-N 325.496 5.987 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(Cl)c1C 20042802 SEDZOCRWTVYUSL-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB Clc1ccc(COc2cccc(Br)c2)cc1Cl 20298249 HEGHPRRHDZYSPW-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1 59482645 CIEAOIOPVNWIKR-UHFFFAOYSA-N 340.423 5.154 0 40 EKAB CC(C)(C)c1cnc(CN2CCC[C@@H]2c2cccc3ccccc23)o1 71824910 SOHAIMWVIJPTBZ-LJQANCHMSA-N 334.463 5.462 0 40 EKAB CSc1ccccc1N(C(=O)OC(C)(C)C)c1cc(C)ccn1 199719623 DABJBBXBQSWJSV-UHFFFAOYSA-N 330.453 5.185 0 40 EKAB Cc1ccc(C)c(NC(=O)c2cc3cc4ccccc4nc3s2)c1 223127800 CROVNMPAPMHLLY-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB Cc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1Cl 225081074 AICZLVXWQCLRPX-OAHLLOKOSA-N 341.259 5.090 0 40 EKAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C 225696786 QGDIHCWXPNGVEC-UHFFFAOYSA-N 349.515 5.200 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225747500 FSXBYRZUSKGVAU-NRFANRHFSA-N 349.515 5.406 0 40 EKAB Cc1ccc([C@@H]2C[C@@](C)(O)C[C@H](c3ccc(C)cc3C)S2)c(C)c1 256028094 SUQRMLVEIYMUHI-ZBYYUNFXSA-N 340.532 5.981 0 40 EKAB CCOc1cccc2c1OC(C)(C)[C@H]1CC[C@H](c3ccccc3)O[C@H]21 257307189 SXOILVBZXHPSAS-NLWGTHIKSA-N 338.447 5.465 0 40 EKAB CCCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OCC 409118380 PPYUNHMXHXKVRB-UHFFFAOYSA-N 347.886 5.756 0 40 EKAB Fc1cccc(COc2cccc(CNc3ccccc3Cl)c2)c1 409179278 QUMZCQHWRNTAOU-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1 36290 SFODDILKGLAIRW-FUHWJXTLSA-N 337.463 5.424 0 40 EKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1C 64311 ONOHPPVIJYOXGF-NRFANRHFSA-N 328.415 5.075 0 40 EKAB CC[C@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 343166 BLWVUZFVLMJSIJ-ZDUSSCGKSA-N 333.884 5.161 0 40 EKAB CC(C)C(=O)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 560925 KIMYTSREHPIMQP-UHFFFAOYSA-N 329.802 5.321 0 40 EKAB c1ccc(-c2nc(-c3nccc4ccccc34)oc2-c2ccccc2)cc1 1621997 CYEHNBFRCZLKJT-UHFFFAOYSA-N 348.405 6.224 0 40 EKAB Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1C 3183675 WMLQFKAVFLAEPA-UHFFFAOYSA-N 345.870 5.272 0 40 EKAB Clc1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1Cl 4916334 KAMAKJAZYFPYIB-UHFFFAOYSA-N 341.197 5.864 0 40 EKAB Fc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 5460930 AOVXYPYMNUPSKJ-TZIWHRDSSA-N 343.405 5.322 0 40 EKAB CC[C@@H](C)c1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1 6049392 UCAFOFKXQUYPBB-CYBMUJFWSA-N 341.455 5.258 0 40 EKAB Fc1ccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 6393296 NROKSRPWSPTLAA-IBGZPJMESA-N 339.460 6.245 0 40 EKAB CCCCCC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C 9141162 ZPHOHLYXNVQNND-UHFFFAOYSA-N 336.435 5.630 0 40 EKAB CCCCC1(CCCC)Nc2ccccc2-c2nc3ccccc3n21 13759372 JWNDFLRZPJFCRH-UHFFFAOYSA-N 333.479 6.162 0 40 EKAB COc1ccc(-c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 14246094 YHRUZJGSXSGOAV-UHFFFAOYSA-N 334.350 5.013 0 40 EKAB CCCCCN(Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 31613805 YTQHJNOYQLTNLW-FQEVSTJZSA-N 331.887 5.066 0 40 EKAB CC(C)Oc1cccc(CCc2ccc3ccccc3c2)c1C(=O)O 35973661 FCYLNKWTDYIPLJ-UHFFFAOYSA-N 334.415 5.110 0 40 EKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N(c1ccccc1)c1ccccc1)CC2=O 100767847 NKGOWKBRWRLSPL-DHIUTWEWSA-N 347.458 5.137 0 40 EKAB C1=C(c2ccccc2)N2CCO[C@@]23CCCC[C@@H]3[C@@H]1c1ccccc1 102743111 IIWHIPPFNCKTOT-QZNHQXDQSA-N 331.459 5.044 0 40 EKAB CCOc1cccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1 225494270 MIHUQSMRDDYDST-IBGZPJMESA-N 342.508 5.159 0 40 EKAB O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2 226296421 FQXUUDYVYQBZBG-SANMLTNESA-N 348.445 6.007 0 40 EKAB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CC[C@H](C)O 248026837 OMRDSKNXJYXBEL-CSBXLLQASA-N 332.572 6.673 0 40 EKAB biogenic CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccccc1 408832026 QWTZTBVSLDTHOD-UHFFFAOYSA-N 340.423 5.154 0 40 EKAB C/C(=C\c1csc(-c2ccccn2)n1)c1ccc2ccccc2n1 585079672 QFZNQDMDIYJHAL-WYMLVPIESA-N 329.428 5.314 0 40 EKAB COCOC(C)(C)/C(C)=C/C=C(\C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C 1560406602 GWUDLXFFVOJSFU-JKVDYJOUSA-N 334.500 5.064 0 40 EKAB CCOc1cccc2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 490376 NCLCHOBYPWZXOJ-UHFFFAOYSA-N 346.382 5.094 0 40 EKAB biogenic CCCCC[C@@H](CN(C)C)[C@@H](O)CCc1ccc(Cl)c(Cl)c1 1731556 HEFONFMNWNTALQ-YJBOKZPZSA-N 346.342 5.045 0 40 EKAB C[C@H](CCc1ccccc1)NC(=O)c1sc2ccccc2c1Cl 3348313 WWNMNQZXQWMDQP-CYBMUJFWSA-N 343.879 5.306 0 40 EKAB CCn1cc(SCC(=O)Nc2cc(C)cc(C)c2)c2ccccc21 4059779 MJSWRRRQXPWKAP-UHFFFAOYSA-N 338.476 5.009 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6328548 UYOTWGWTAJVIDX-UHFFFAOYSA-N 338.234 5.098 0 40 EKAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 10111746 ZETGQGVACAOALV-KEQVLUGWSA-N 341.882 5.528 0 40 EKAB Cc1ccc(NC(=O)C2C[C@@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)cc1 17861586 JRCGHFQHEDWYQX-AYHJJNSGSA-N 329.528 6.058 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(C)=O)c1 20459864 WFBLIBXAVWJOLK-KRWDZBQOSA-N 347.867 5.052 0 40 EKAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc2c(F)cccc2s1 22417492 QSYNXNDDESOPBN-SNVBAGLBSA-N 349.377 5.152 0 40 EKAB O=C(Nc1nc2ccc(F)cc2s1)c1cc2cc(F)ccc2s1 24761646 DURHGCUAZHVXHT-UHFFFAOYSA-N 346.383 5.042 0 40 EKAB Cc1cccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c1 27795307 JBPKXRUXKQJKQC-UHFFFAOYSA-N 325.795 5.088 0 40 EKAB Cc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)cc1C 36616881 XZUKLLLKBICRMM-UHFFFAOYSA-N 329.394 5.542 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42709844 TZFGINGTXOTGEB-UHFFFAOYSA-N 339.483 5.200 0 40 EKAB O=C1[C@@H]2C[C@@H](c3ccccc3)[C@@H]1C(c1ccccc1)=C2c1ccccc1 104121255 GXFFSDWELCIVMD-YZUZCNPQSA-N 336.434 5.600 0 40 EKAB CCCc1nc2sc3c(SCC)ncnc3c2c2c1CCCC2 507555 LGHOFIVEYZZVJZ-UHFFFAOYSA-N 343.521 5.183 0 40 EKAB Clc1ccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 5996935 UNMPBENSLMFJRG-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB c1coc(-c2nc(COc3ccc4oc5ccccc5c4c3)cs2)c1 6668156 SIKNRXIBGVFCOV-UHFFFAOYSA-N 347.395 5.882 0 40 EKAB c1ccc(SCCCCN2CCCC[C@H]2c2cccnc2)cc1 6719044 QIVJJWQDSYMKHS-FQEVSTJZSA-N 326.509 5.181 0 40 EKAB biogenic CCOc1ccccc1NC(=O)c1sccc1-c1ccc(C)cc1 8061015 QDVQTJZCIMFGDW-UHFFFAOYSA-N 337.444 5.375 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1c(C)cccc1C(C)C 8494019 RVJGQHWRSWJUDU-LJQANCHMSA-N 325.452 5.223 0 40 EKAB Cc1ccc(F)c(NC(=S)Nc2ccc(Cl)cc2Cl)c1 13840268 OPGQVPLGOZFSAX-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB O=C(Nc1cc2ccccc2nc1C1CCCCC1)c1ccc(F)cc1 13997911 UCVKAROZFQQPMB-UHFFFAOYSA-N 348.421 5.674 0 40 EKAB O=C(CCc1ccco1)Nc1cc(Cl)ccc1Oc1ccccc1 21356729 HWKBMPIMPIMNOA-UHFFFAOYSA-N 341.794 5.297 0 40 EKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc2ccccc2c1 32624566 SEBPGNQVRYEFBS-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1ccc2c(CC(=O)Nc3ccc(Cl)cc3Cl)coc2c1C 39883744 FSBHUOBEFYDRAN-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)ccc1Cl 64982243 ALHVKDOXIXRVKU-OAHLLOKOSA-N 345.870 5.486 0 40 EKAB CC(C)(C)Sc1ncccc1[C@@H]1CCCN1Cc1ccccc1 72217410 UGINUHKGSSMCCW-SFHVURJKSA-N 326.509 5.309 0 40 EKAB Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(SC(F)F)cc1 95968013 OQMDZDRJRLCFNJ-NXEZZACHSA-N 326.412 5.018 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 223350353 WWJMLAFEEDQXLR-MSOLQXFVSA-N 339.479 5.072 0 40 EKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(C)cc2)cc1 408579565 HXCIQPKRAGKBFU-UHFFFAOYSA-N 336.460 5.242 0 40 EKAB CCCOc1ccc(CNc2cccc(C)c2C)cc1Br 409111002 ZVWAGLFJMCXIJK-UHFFFAOYSA-N 348.284 5.467 0 40 EKAB Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2Cl)ccc1Cl 360943 HXUOCKOXFNVLRM-UHFFFAOYSA-N 349.044 5.861 0 40 EKAB O=C(Nc1ccccc1C(=O)Cc1ccccc1)c1ccccc1Cl 1431429 ROMUFWCBPONMOC-UHFFFAOYSA-N 349.817 5.018 0 40 EKAB CCCCCCOc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 2228531 YJVNCFLGUBZLBA-UHFFFAOYSA-N 330.468 5.649 0 40 EKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CCCC1 5685195 BKMMRALWARKZND-UHFFFAOYSA-N 348.471 5.606 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 6215312 DQANYWVKIZQEOL-UHFFFAOYSA-N 335.834 5.497 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)cc2)N3)C1 6934134 BTLZWCYTWRIKAH-PXAZEXFGSA-N 326.465 5.000 0 40 EKAB S=C(Nc1ccccc1)N(c1ccccc1)c1cccc(Cl)c1 16489788 CJUMWQRFRINCLM-UHFFFAOYSA-N 338.863 5.875 0 40 EKAB C(=C/C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)\c1ccccc1 34504489 XQGBZXMCLMLQML-CCEZHUSRSA-N 348.449 6.495 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C 59351162 HWLPSQDQXJVWJT-PMXLPMHFSA-N 335.491 5.492 0 40 EKAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1cccc2ccccc12 222871737 RPOZDKNYUWDWDE-QGZVFWFLSA-N 347.458 5.047 0 40 EKAB C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCCC2 222983740 ALMQRYFDQCEOML-HNNXBMFYSA-N 341.882 5.029 0 40 EKAB CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C\C/C=C\CCCC(=O)OC 299888517 MQCWCUDQEBWUAM-BRVXBBRZSA-N 334.500 5.516 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 365181 HCZLJABVYRCFJH-HNNXBMFYSA-N 329.871 5.589 0 40 EKAB Cc1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4358952 AVKZMKFFRWZSOS-UHFFFAOYSA-N 349.477 6.399 0 40 EKAB CC(C)c1ccc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 6862347 PINYHUCVUYIVFT-UHFFFAOYSA-N 348.417 5.759 0 40 EKAB CCCCSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9237242 TXBFMYYWMJIEPH-UHFFFAOYSA-N 343.879 5.741 0 40 EKAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1SCc1ccccc1 9425729 VIBNAWVZJPDHEQ-FQEVSTJZSA-N 325.477 5.121 0 40 EKAB Cc1cc(C)c2c(CC(=O)Nc3cccc4ccccc34)coc2c1 16739524 YFZMXXVIUOXYPQ-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB O=C(Nc1ccc(Nc2ccccc2)cc1)C1(c2ccccc2)CC1 39975577 BNEZYGWXPIYKJX-UHFFFAOYSA-N 328.415 5.101 0 40 EKAB COc1ccc(NC(=S)Nc2cccc3c2CCCC3)cc1Cl 71761809 NYENZRBAEFGNFW-UHFFFAOYSA-N 346.883 5.036 0 40 EKAB Clc1ccc(Cl)c(-c2nc3cc(-c4ccccc4)ccc3o2)c1 73639949 BRYNSHLVRBHHGF-UHFFFAOYSA-N 340.209 6.469 0 40 EKAB C[C@H](NC(=S)Nc1ccccc1-c1cccs1)c1ccccc1 84656679 SVHXJCXJAZHQPC-AWEZNQCLSA-N 338.501 5.463 0 40 EKAB Cc1cc(C)cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 96171175 NIWFEFCRWKQJFE-UHFFFAOYSA-N 342.748 5.620 0 40 EKAB CC1=C(/C=C\C(C)=C/C=C(C(=O)O)\C(C)=C/C(=O)O)C(C)(C)CCC1 104331254 BGOMUHYKLNJWPG-OIBYOSSYSA-N 344.451 5.057 0 40 EKAB CCc1ccc2nc(-c3c(F)c(F)c(F)c(F)c3F)sc2c1 216749873 GPZSGNRQNDSMMC-UHFFFAOYSA-N 329.293 5.221 0 40 EKAB O=C(CCc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1 222667670 JCOWDLUJJKQCMS-UHFFFAOYSA-N 343.348 5.430 0 40 EKAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225577905 RAILSVZHXPIJMC-OAHLLOKOSA-N 343.492 5.246 0 40 EKAB CC[C@@H](C(=O)c1c(C)cc(Br)cc1C)c1ccccc1 575362450 MVJLMZLWTDKZEG-MRXNPFEDSA-N 331.253 5.442 0 40 EKAB CC(C)c1c(-c2ccccc2)[nH]c2c(Br)cccc2c1=O 685938085 BTXCQTAMMDFVNE-UHFFFAOYSA-N 342.236 5.081 0 40 EKAB CC(C)c1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 175504 SXVDQWWUZLEZLU-UHFFFAOYSA-N 340.423 5.325 0 40 EKAB CCOc1ccc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 318837 PUBHTXCVOXPZJB-UHFFFAOYSA-N 346.352 5.704 0 40 EKAB Cc1cc(C)cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 506121 KSZXGXAUHBPZGR-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Cl/C(=C(\I)c1ccccc1)c1ccccc1 1712124 AYGQIZWHXPPPHA-YPKPFQOOSA-N 340.591 5.186 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)c(C)c1 4070264 QAOPEYOAUJDKEN-UHFFFAOYSA-N 348.880 5.394 0 40 EKAB c1ccc([C@H]2CC(c3cccs3)=Nc3nc4ccccc4n32)cc1 4864788 SXGHXQCPBAHEIA-GOSISDBHSA-N 329.428 5.212 0 40 EKAB Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1 5459861 SACPAGUQBPULLK-UHFFFAOYSA-N 327.431 5.005 0 40 EKAB Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)c(Cl)c1 6272353 UDISNIFMUZKGQB-UHFFFAOYSA-N 326.827 5.091 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C 8041243 IHQQWHFWUHJKGO-INIZCTEOSA-N 338.234 5.098 0 40 EKAB CC(C)c1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)C2CC2)cc1 8357348 NVKDETYRSMZXLF-UHFFFAOYSA-N 346.474 5.025 0 40 EKAB CCCCN(CCCC)Cc1c(C)nc2c(C)c(C)ccc2c1O 8714059 JKDQBRMDIQIRKG-UHFFFAOYSA-N 328.500 5.268 0 40 EKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccccc3)c2c1 12374225 PVZYZNITBCQKJQ-FCDQGJHFSA-N 331.802 5.986 0 40 EKAB O=C(CCc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 12607075 RFBDOMAXOVXOLB-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CCCCC[C@H]1C(=O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 13574140 MZWDNWGOALGHNY-QZNHQXDQSA-N 335.491 5.570 0 40 EKAB CC(C)c1ccc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(F)cc2)cc1 19927717 XCURUCBCVTUELW-BFUOFWGJSA-N 329.440 5.116 0 40 EKAB CCc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 41007101 UUNWIHPFAGASLN-UHFFFAOYSA-N 344.208 5.010 0 40 EKAB Cc1cc(C)c2nc(NCc3c(Cl)cccc3Cl)cc(C)c2c1 41127844 PYWMKMDHPGLVLH-UHFFFAOYSA-N 345.273 6.079 0 40 EKAB OCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 104161708 UCIWLMYSEPBUSF-UHFFFAOYSA-N 348.023 5.041 0 40 EKAB CC[C@H](C)Oc1ccc2c(c1)c(CNC(C)C)c(C)n2CC(C)C 223771389 HLMFBPNSDKSASY-INIZCTEOSA-N 330.516 5.281 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C)c1 225623931 WKWRIQGCIXMDCK-HXUWFJFHSA-N 335.488 5.098 0 40 EKAB Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl 408624802 UTNSSKJZGMAEGB-UHFFFAOYSA-N 335.790 5.800 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 44767 RVQHDUKACRLEPB-ZDUSSCGKSA-N 340.448 5.072 0 40 EKAB CCOc1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 187420 LDRXNNDSLHTKCT-UHFFFAOYSA-N 348.427 5.101 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(Cl)cc4)c23)C1 383336 DYUOPNYEMDIGON-SNVBAGLBSA-N 330.840 5.262 0 40 EKAB CC(C)Cc1ccc([C@@H](C)c2nc(-c3cccc(Cl)c3)no2)cc1 2387782 RYKKFJCGWINYSH-CQSZACIVSA-N 340.854 5.740 0 40 EKAB CCn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 2453852 OTHVINRXAOGEPK-UHFFFAOYSA-N 345.471 5.411 0 40 EKAB Fc1ccc(NC(=S)Nc2cccc(Oc3ccccc3)c2)cc1 3270070 DHKJUXLTVGAZFH-UHFFFAOYSA-N 338.407 5.427 0 40 EKAB Cc1ccc2[nH]c(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)nc2c1 5357407 HJADZQMSPYWELO-CYBMUJFWSA-N 349.459 5.025 0 40 EKAB FC(F)(F)c1cnc(Sc2nc3ccccc3s2)c(Cl)c1 5777604 SBMLNEBLQDPZQS-UHFFFAOYSA-N 346.786 5.515 0 40 EKAB Clc1cccc(NC2=NN=C(c3cc4ccccc4o3)CS2)c1 6784790 CNPWPUCXJULLPM-UHFFFAOYSA-N 341.823 5.005 0 40 EKAB c1ccc(-c2cc(-c3ccccc3)c3c4c(sc3n2)CCCC4)cc1 7847597 JHBMWZDXYHAJOK-UHFFFAOYSA-N 341.479 6.509 0 40 EKAB O=C(O)c1ccc(CNc2ccc(Oc3cccc(Cl)c3)cc2)o1 8702225 WZCUOMSSIYMGHW-UHFFFAOYSA-N 343.766 5.036 0 40 EKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)C(C)C)c3)nc2c1 9141072 WZKHUDWWZBJUNY-UHFFFAOYSA-N 342.826 5.360 0 40 EKAB O=C(Nc1ccc2ncsc2c1)c1ccc(-c2ccccc2)cc1 10217153 GMVPQMLLKWNVBF-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB Fc1ccccc1COc1ccc(Cl)cc1CNC1CCCCC1 22073964 OYACQLFFRSFOCH-UHFFFAOYSA-N 347.861 5.480 0 40 EKAB O=C(c1cccc2ccccc12)N(Cc1ccc2[nH]ccc2c1)C1CC1 32094581 BMNVKQYGFDEIKZ-UHFFFAOYSA-N 340.426 5.126 0 40 EKAB Cc1ccc(NC(=O)Nc2cccc(Br)c2)c(Cl)c1 51354372 IOJRACMILODSHW-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB CCCOC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 85397229 BJMGVQVCLUIIQI-DHZHZOJOSA-N 348.801 5.025 0 40 EKAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(C)c(C)c1 218915405 QQWJQPNFXGMKTG-OAQYLSRUSA-N 347.458 5.103 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CCc2cccc3ccccc23)cc1C 222678295 LYURQRFXBYLOBA-SFHVURJKSA-N 331.459 5.267 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(Cl)cc2C)cc1 222876615 SZGOKSWSSHBVRC-SFHVURJKSA-N 331.843 5.007 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 222906090 UEPQFFWNMKBMCS-SFHVURJKSA-N 345.870 5.434 0 40 EKAB Cc1cc(C)cc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224135167 XBUKTXQWZCSBBF-UHFFFAOYSA-N 345.398 5.220 0 40 EKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCC1CCCCCC1 224979638 OATLHWDKVKFPSK-UHFFFAOYSA-N 335.491 5.373 0 40 EKAB Cc1c(Cl)cccc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 225072209 DEXNOEKMHOMIAV-OAHLLOKOSA-N 341.259 5.090 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)cc1 225748654 AZQGGRPBMSLALA-NRFANRHFSA-N 349.515 5.570 0 40 EKAB CCOc1ccc(Nc2nc(-c3cc(C)ccc3C)c(C)s2)cc1 409045331 GGTJBPQBXMCNFF-UHFFFAOYSA-N 338.476 5.878 0 40 EKAB O=C(Nc1ccccc1)Nc1sccc1OCc1ccc(F)cc1 1391234 SQMMRXWYZTURNK-UHFFFAOYSA-N 342.395 5.110 0 40 EKAB Cc1cc(C(=O)CSC(=S)SC(C)(C)C)ccc1Cl 1590855 AKTHGADVIFAPPT-UHFFFAOYSA-N 332.943 5.381 0 40 EKAB in-vitro O=C(Nc1nc2ccccc2s1)Nc1ccc(Cl)cc1Cl 3123411 RQQDOWIGDKJEAY-UHFFFAOYSA-N 338.219 5.247 0 40 EKAB Fc1ccccc1-c1nc(NCCc2ccccc2)c2ccccc2n1 5022342 URMLLLKIZLMWOY-UHFFFAOYSA-N 343.405 5.091 0 40 EKAB CSc1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 6454506 LTOJOQCHPZBOEF-NSHDSACASA-N 337.897 5.181 0 40 EKAB C[C@@H]1CCc2c(sc3nc4c(c(-c5ccccc5)c23)CCC[C@H]4C)C1 12610182 IYMHJHAPFIDFFU-HUUCEWRRSA-N 347.527 6.528 0 40 EKAB CSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14396250 CGULVRJWBLBVEM-ZDUSSCGKSA-N 349.883 5.085 0 40 EKAB CCCCOc1ccc(NCc2ccc(OCCC(C)C)cc2)cc1 19738147 MEMGNVHPVPBTAQ-UHFFFAOYSA-N 341.495 5.903 0 40 EKAB FC(F)(F)c1cnc(N[C@@H]2CCCc3ccccc32)c(Cl)c1 25562084 MXOMMQRTMFMCHK-CQSZACIVSA-N 326.749 5.243 0 40 EKAB O=C(c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 37354736 CAPRSQQRYDQDOI-UHFFFAOYSA-N 337.216 5.347 0 40 EKAB Cc1cccc(-c2nn3c(NC4CCCCC4)cc(C)nc3c2C)c1 40216783 XKZHGNMTIBBSHD-UHFFFAOYSA-N 334.467 5.066 0 40 EKAB CSc1cccc(NC(=S)Nc2cccc(Cl)c2F)c1 71326180 MDXACACITHBQEN-UHFFFAOYSA-N 326.849 5.010 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1cccc(F)c1Cl 95917315 FTJMZEZLGMYRPX-UHFFFAOYSA-N 326.754 5.502 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1CCCc2ccccc21 225373854 MQCUYPCMELSRNX-SFHVURJKSA-N 348.273 5.120 0 40 EKAB Cc1ccc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 225751336 HUORJRNXFUNFCF-HXUWFJFHSA-N 349.474 5.260 0 40 EKAB CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1C 225758674 IRBUYMDCWDNRPP-LJQANCHMSA-N 342.508 5.220 0 40 EKAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1Cl 114420 CRZNYHBZHWKNCR-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB O=C(Nc1ccccc1Br)c1ccc(Cl)cc1Cl 363881 NZOWOJKAHVJZQR-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB CCCCN(CCCC)[C@H](c1ccccc1)[C@@H](O)c1ccccc1 1595271 BPNIKIQENLJVAF-YADHBBJMSA-N 325.496 5.364 0 40 EKAB COc1ccc(-c2c(C)oc3cc(OC(C)=O)ccc3c2=S)cc1 1604191 KDFDTYTWOVBYIX-UHFFFAOYSA-N 340.400 5.072 0 40 EKAB CCCCOc1ccc(Cc2c(Cl)nc(Cl)nc2Cl)cc1 2287252 DSSMPRMGOGXXNZ-UHFFFAOYSA-N 345.657 5.207 0 40 EKAB COc1ccc(CN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4698533 GLSWWNUHYZLVAG-QHCPKHFHSA-N 342.442 5.047 0 40 EKAB Clc1ccc(CSc2nc(-c3cccs3)n[nH]2)cc1Cl 6035470 DFLSRWIYCKBDBX-UHFFFAOYSA-N 342.276 5.132 0 40 EKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 9141357 IJAKTBDNLBPQGT-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB C[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H]1C 13320459 LVOWNOMWHJFPAW-OPQQBVKSSA-N 348.796 5.305 0 40 EKAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@]12CS2 14904275 NQUOVPHNWQLADQ-NHJCDZISSA-N 334.569 5.122 0 40 EKAB CCCC[C@H](CC)COC(=O)/C=C\c1ccc(OCCC(C)C)cc1 17326078 IFOXCRJNHMWYCU-RNUYOQPASA-N 346.511 5.884 0 40 EKAB CC(C)Oc1ccccc1NCCOc1ccccc1C(C)(C)C 19737491 TVHRNXLUGFIKGN-UHFFFAOYSA-N 327.468 5.262 0 40 EKAB Cc1ccc(CN(C)C(=O)c2ccccc2CCc2ccccc2)cc1 20042028 TXXCDWBESPZHCF-UHFFFAOYSA-N 343.470 5.052 0 40 EKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1 20452981 SRPDEKNLIGCHSU-LUJYGJGBSA-N 345.442 5.314 0 40 EKAB Cc1nc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)sc1C 96183817 HAFKOXUXGWMMFR-UHFFFAOYSA-N 348.811 5.051 0 40 EKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N/c3ccccc3)c1-2 100114520 YGIWLTIGQLWCCW-CZIZESTLSA-N 338.501 5.678 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CC(Cl)=C(Cl)Cl)C2 100583986 INCZUJUVFSJFCB-HNXYLICVSA-N 325.663 5.020 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1c(C)cccc1C 113970361 UJZLLCPPQQPMNZ-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219597083 JZRWPBZGJFITCC-NHCUHLMSSA-N 339.479 5.037 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225690604 WBGOIFCSJZVDLO-OAQYLSRUSA-N 349.515 5.262 0 40 EKAB CCc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225808386 QXKYAWOYGMMARK-UHFFFAOYSA-N 348.515 5.321 0 40 EKAB C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCc3ccccc3)ccc1OC2(C)C 257230766 GDVMJCKMWLTIFI-PAXLWEDBSA-N 338.447 5.293 0 40 EKAB Cc1ccc(COc2ccccc2CNc2ccc(C)cc2C)cc1 409109542 GZSVGJMRCPNLCS-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB CSc1cccc(NC(=O)CSc2cccc3ccccc23)c1 409183493 UAXRKTHITWZFPX-UHFFFAOYSA-N 339.485 5.293 0 40 EKAB COc1cccc2cc([C@H](C)OC(=O)Nc3cccc(Cl)c3)oc12 1406586 YYGDGNGPPWTAIH-NSHDSACASA-N 345.782 5.405 0 40 EKAB C[C@H]1CC(C)(C)C[C@](OCCN2CCCCC2)(c2ccccc2)C1 1621635 SEINAULMIKRPHQ-UGKGYDQZSA-N 329.528 5.231 0 40 EKAB in-vitro CCOC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 1622211 XOWMMWDILXYPIV-UHFFFAOYSA-N 327.383 5.232 0 40 EKAB Cc1cc2oc(=O)c(-c3cccc(Cl)c3)c(C)c2c(C)c1Cl 2529950 ZLQCDUOXNWPDTM-UHFFFAOYSA-N 333.214 5.692 0 40 EKAB biogenic COc1cccc(/C=C/c2nc3ccccc3s2)c1OC(C)C 5130153 VCASPJSFPVITQY-VAWYXSNFSA-N 325.433 5.263 0 40 EKAB Cn1cc([C@@H]2c3ccccc3C(=O)N2C2CCCCC2)c2ccccc21 6268849 HBXOBCYUYYMKRT-QFIPXVFZSA-N 344.458 5.056 0 40 EKAB S=C(NCc1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 6344252 KWCZMLMSSFCLRX-UHFFFAOYSA-N 345.682 5.133 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)cc2)N3)C1 6934498 DKOGJQONIVXKGG-MGPLVRAMSA-N 346.883 5.345 0 40 EKAB Cc1ccc(C(=O)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)cc1 8190814 KVGHROPVWLZFAC-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc3ccccc23)cc1 9064435 XBGZEYXZOFQXGT-QGZVFWFLSA-N 344.458 5.471 0 40 EKAB Cc1cc2oc(=O)cc(-c3cc4cc(Cl)ccc4o3)c2cc1Cl 11869691 VDIWGYIAJQERJN-UHFFFAOYSA-N 345.181 5.821 0 40 EKAB biogenic Clc1ccc2c(Oc3ccc4oc5ccccc5c4c3)ccnc2c1 12547010 UMZJVTYAGQVFIL-UHFFFAOYSA-N 345.785 6.580 0 40 EKAB O=C(Nc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 16479640 FUAVGPWHNXELJI-UHFFFAOYSA-N 334.394 5.060 0 40 EKAB Clc1ccc(-c2nnc(Oc3ccccc3)c3ccccc23)cc1 34646419 CBAHDCFVEYVODF-UHFFFAOYSA-N 332.790 5.743 0 40 EKAB CCCOC(=O)c1cccc(Nc2cc(C)c3cc(C)cc(C)c3n2)c1 41127834 VFPPPTTWHGIDMR-UHFFFAOYSA-N 348.446 5.470 0 40 EKAB C[C@H]1CCC[C@@]2(C1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 102569676 NTDBRNJTVVMTAD-AQKFKSFVSA-N 332.447 5.137 0 40 EKAB Clc1ccc(-c2cc3cc(Br)ccc3o2)cc1Cl 216944443 UIYIRLXYRQLUPI-UHFFFAOYSA-N 342.019 6.169 0 40 EKAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 219736235 WCVGVXIVMQFYBP-UHFFFAOYSA-N 347.414 5.518 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)CSCc1cccc2ccccc12 224953469 XEIQOSFRMGUNQL-UHFFFAOYSA-N 343.536 5.404 0 40 EKAB Cc1nc2ccc(C(=O)N(C)c3ccc4ccccc4c3)cc2s1 409189657 MJQNODSCRAIZOH-UHFFFAOYSA-N 332.428 5.035 0 40 EKAB COc1ccc(CC(=O)N2c3ccccc3Sc3ccccc32)cc1 117831 ADYRFVJETABGMT-UHFFFAOYSA-N 347.439 5.067 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2sccc2c1 239979 AOWOXDPUSNLZQB-UHFFFAOYSA-N 333.412 5.315 0 40 EKAB CC1(C)COC(CCCCC(=O)c2cc(Cl)cc(Cl)c2)OC1 2518151 UWIFEOMHVBWIHS-UHFFFAOYSA-N 345.266 5.136 0 40 EKAB CC(=O)OC1=Cc2ccccc2[C@H](c2ccccc2)c2ccccc21 5663880 RCCIUMHOWJFJJX-QHCPKHFHSA-N 326.395 5.241 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Oc3cc(C)cc(C)c3)cc2)cc1 6479731 DSZNZSSCHMXFNM-UHFFFAOYSA-N 346.426 5.410 0 40 EKAB COc1ccc(-c2ccc(CN[C@@H](C)c3ccccc3)o2)cc1Cl 7539563 HBOBVYCKIYECCS-AWEZNQCLSA-N 341.838 5.459 0 40 EKAB Cc1cc(C)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c(C)c1 7651824 GUPYBBMVTNSDNG-UHFFFAOYSA-N 329.443 5.460 0 40 EKAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14400855 PXFMDOWWCMERIC-AWEZNQCLSA-N 343.492 5.112 0 40 EKAB CCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1Cl 16237866 BDJPLXJFCFFKLV-UHFFFAOYSA-N 339.291 5.212 0 40 EKAB c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1 16493140 QPPFSBAZWHKRIJ-UHFFFAOYSA-N 326.443 5.167 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C)c(Cl)c1 20485601 NPWRVOFDDRFYGY-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB Cc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 21595435 NSNXMPFULJJKID-UHFFFAOYSA-N 334.463 5.088 0 40 EKAB Clc1ccc([C@@H]2Oc3ccccc3CN2Cc2ccco2)cc1 58219032 UXJCVVALQHLANS-IBGZPJMESA-N 325.795 5.026 0 40 EKAB CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(c1ccc(C)cc1)C2 100476098 WQOSKDXGMMHOKK-FGZHOGPDSA-N 335.491 5.304 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913609 ZSLFGNQZRMYDJQ-VRHOEBMJSA-N 344.539 5.151 0 40 EKAB O[C@H](c1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1Cl 226296822 ODWWCTQTTOUQHS-LJQANCHMSA-N 343.209 5.975 0 40 EKAB Cc1ccc(COc2ccccc2CNc2cc(C)ccc2C)cc1 409122326 XWAOFKQKNLABLQ-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)CC(C)C)c3)nc2c1 188959 IZPKPZLVRTZUPE-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB Clc1ccc2c(c1)C[C@H](NC1CCCC1)c1ccccc1S2 347665 OTKGNXJDWIPSJN-KRWDZBQOSA-N 329.896 5.621 0 40 EKAB Clc1ccc(Sc2snnc2-c2ccccc2)cc1Cl 3111143 KZBXLBUKFQKCIL-UHFFFAOYSA-N 339.272 5.663 0 40 EKAB O=C1[C@H]2C[C@@H](c3ccccc3)[C@@H]1C(c1ccccc1)=C2c1ccccc1 4963666 GXFFSDWELCIVMD-AWRGLXIESA-N 336.434 5.600 0 40 EKAB CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 5447612 MBMBGCFOFBJSGT-UAYLQDFESA-N 328.496 6.549 0 40 EKAB CN(Cc1ccccc1)Cc1csc(-c2ccc(Cl)cc2)n1 6579677 RUTFAOMMOJGPFC-UHFFFAOYSA-N 328.868 5.096 0 40 EKAB CCCCCCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 7261010 DWWSINJLKBXLML-UHFFFAOYSA-N 341.495 5.253 0 40 EKAB Cc1cc(Br)ccc1NC(=O)Nc1ccc(Cl)cc1 8301306 PZRMCVYXZKFYOM-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB CCCCCN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 31613802 YTQHJNOYQLTNLW-HXUWFJFHSA-N 331.887 5.066 0 40 EKAB Cc1cc(C)nc(/C=C\c2ccc(/C=C\c3cc(C)cc(C)n3)cc2)c1 31816883 NHFWLPKGJSKYHA-HWAYABPNSA-N 340.470 6.051 0 40 EKAB CCOC(=O)CCCCCCC(=O)c1ccc(SC)cc1Cl 43214388 JDDUAKVCGRQAIE-UHFFFAOYSA-N 342.888 5.148 0 40 EKAB Nc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1Cl 57352774 MASXJCHVDCUXPC-UHFFFAOYSA-N 334.806 5.321 0 40 EKAB Cc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 73639124 VWOSDMGIDFNADT-UHFFFAOYSA-N 338.204 5.719 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 95916051 CQBITHUZSHXRKZ-UHFFFAOYSA-N 327.210 5.891 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1noc2c1CCCCC2 97165951 BBTUHGTZBBUSGO-UHFFFAOYSA-N 340.467 5.443 0 40 EKAB O=C(C/C=C/c1ccc(F)c(F)c1)c1ccc(Br)cc1 100866743 OIQGWEFHIGLSJE-OWOJBTEDSA-N 337.163 5.014 0 40 EKAB C[C@]12CC3CC(C(=O)Nc4ccc(F)c(Cl)c4)(C1)C[C@](C)(C3)C2 101024233 FJXXGHFQTINOEJ-PCJZUQFSSA-N 335.850 5.414 0 40 EKAB Cc1ccc(SCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225285681 RZNVJJPKKXHZLD-UHFFFAOYSA-N 344.549 5.197 0 40 EKAB CC[C@H](CNC(=S)Nc1ccc(C(C)C)cc1)Cc1ccccc1 225629608 OTFJFINLNVXIMX-KRWDZBQOSA-N 340.536 5.365 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225638277 KXIICYHDOIYNET-VFNWGFHPSA-N 347.499 5.016 0 40 EKAB CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 225644559 TVOUUXARFUSYEV-INIZCTEOSA-N 325.452 5.087 0 40 EKAB Nc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1Cl 226365425 JJESHGNQCAJKHR-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408617413 CDXHRSWUYILDKQ-UHFFFAOYSA-N 347.748 5.439 0 40 EKAB Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(OC(C)C)c1 60918 NPVDYPPXEXTQCV-UHFFFAOYSA-N 335.403 5.295 0 40 EKAB Clc1ccccc1Nc1nc(-c2ccccn2)nc2ccccc12 521527 JWDJSTODZZULFG-UHFFFAOYSA-N 332.794 5.089 0 40 EKAB COc1ccc(C)cc1NC(=O)Cc1coc2ccc3ccccc3c12 1448536 UJURUYDFZZBUJW-UHFFFAOYSA-N 345.398 5.084 0 40 EKAB Cc1ccc(-c2c(-c3ccccc3)c(=O)oc3ccc(C)cc23)cc1 1686409 CRFKDILLLFTLQF-UHFFFAOYSA-N 326.395 5.744 0 40 EKAB O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCCCC1 2515527 LNBDVTJACNOQTP-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB Clc1ccc2oc(Nc3ccccc3Cc3ccccc3)nc2c1 2645065 ZSUJWMXMFKETKI-UHFFFAOYSA-N 334.806 5.816 0 40 EKAB O=C(c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 4091618 COGJPUBEMBZBLL-GJZGRUSLSA-N 335.628 5.089 0 40 EKAB O=C1c2ccc3c4c(ccc(c24)C1(c1ccccc1)c1ccccc1)CC3 5085974 AJFWCYBMPFQSRL-UHFFFAOYSA-N 346.429 5.469 0 40 EKAB O=C(CCCCCCCCCCCc1cccnc1)n1ccnc1 5338155 COQQQNWUGRCQRI-UHFFFAOYSA-N 327.472 5.062 0 40 EKAB CCCCCOc1ccc(C(=O)NCCCC)cc1OCCCCC 5464197 BWHODAFTVLXWGC-UHFFFAOYSA-N 349.515 5.355 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 6340922 YKLITCRCAFFBBO-RTBURBONSA-N 329.399 5.221 0 40 EKAB O=C(O)c1cc(/C=C/c2cccc(Cl)c2Cl)nc2ccccc12 6345129 OMLKWZRDOORCBB-CMDGGOBGSA-N 344.197 5.410 0 40 EKAB CCc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@H]32)cc1 6943549 PPUJWEHSFVYSPQ-UEXGIBASSA-N 333.431 5.082 0 40 EKAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 7158627 FZTIVFSVBLPFEB-UHFFFAOYSA-N 337.250 5.438 0 40 EKAB CCCCN(CCCC)Cc1c(C)nc2c(CC)cccc2c1O 8714172 SYHOZHJACAEQHH-UHFFFAOYSA-N 328.500 5.213 0 40 EKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)nc2c1 14257968 JRTYOUSGSACDEB-UHFFFAOYSA-N 336.435 5.350 0 40 EKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1C 14292030 XQZXTUJNOLUAGH-UHFFFAOYSA-N 333.387 5.048 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1C 16312505 VXZCDZGEGLAMNK-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 20112757 BSZSVAGHBHDAEO-OAHLLOKOSA-N 340.275 5.503 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 20612855 QWUKNZRILWXIPH-UHFFFAOYSA-N 340.275 5.746 0 40 EKAB O=C(CSc1nc(-c2ccccc2)cs1)c1cc(F)ccc1F 26040094 OWNKMPOKRXYRQA-UHFFFAOYSA-N 347.411 5.063 0 40 EKAB Cc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)cnn23)cc1 27584922 ZVFNNCOXDFFOHC-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB CCOP(=O)(CCCCCCCCCCCCON)OCC 39337618 CHNCDPCHRSVSDK-UHFFFAOYSA-N 337.441 5.044 0 40 EKAB COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1 51943576 KGHTYPVKRDRRBL-UHFFFAOYSA-N 348.023 5.557 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OCCN 83434041 DLHLOYYQQGSXCC-BJCBFJDFSA-N 347.543 5.634 0 40 EKAB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 100640074 ZWJSLCYDYKYAGX-AFGCANKYSA-N 346.599 6.444 0 40 EKAB CCCC/C=C\CCCCCCCCCc1cc(O)cc(OC)c1 142485920 NKOPRUNFJQCUCF-SREVYHEPSA-N 332.528 6.811 0 40 EKAB in-vitro Cc1ccc(Cl)cc1NC(=O)CCc1ccc(Cl)cc1Cl 225368946 QDDCFIXWOBMJAR-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc2ccccc2o1 408630305 RKNOLGGDTARVMD-UHFFFAOYSA-N 345.423 5.836 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)COCc3ccccc3)cc2)cc1 575358716 AFDAOPQFLAJKMN-UHFFFAOYSA-N 344.454 5.706 0 40 EKAB CN1CCC[C@H]1CCOc1ccc(F)cc1Oc1cccc(Cl)c1 585266189 HAMYEVXXELTNND-INIZCTEOSA-N 349.833 5.135 0 40 EKAB Fc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Cl)c1 1504250253 DYERNOQAGYYGFY-UHFFFAOYSA-N 326.623 5.568 0 40 EKAB C/C=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2049238312 FGSFYZNXYHDZKI-KDETUELBSA-N 344.539 5.907 0 40 EKAB CN(C)C(=O)Oc1c(/C=C/C2=CCCCCC2)sc2ccccc12 482573 UONGBAKTXJNUGV-BUHFOSPRSA-N 341.476 5.865 0 40 EKAB O=C(c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1382890 COGJPUBEMBZBLL-CABCVRRESA-N 335.628 5.089 0 40 EKAB O[C@H]1C[C@@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21 1383523 PAQCIBLMLRKGNI-OALUTQOASA-N 336.818 5.701 0 40 EKAB CCN(CC)CCC[C@@H](C)Nc1cc(C)c2nc(C)cc(C)c2c1C 1563142 CWVBWYLYLRXCIV-QGZVFWFLSA-N 341.543 5.391 0 40 EKAB CSc1ccccc1CCC(=O)c1cccc(Cl)c1Cl 2516631 CGTGGYKWWICLQU-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@@H](C)C2 4194465 DSQCVNRTKUBFCI-SNVBAGLBSA-N 342.489 5.108 0 40 EKAB Cc1ccccc1-c1nnc(S[C@H](C)c2ccccc2Cl)o1 5435163 VBMKDVWEOGJBLN-GFCCVEGCSA-N 330.840 5.552 0 40 EKAB CC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl 6238669 UFHPPRRWHJANEA-UHFFFAOYSA-N 339.247 5.005 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 6479674 XFXIMGKFVKPPIY-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB CC(C)(C)c1nc2ccccc2n1CCOc1ccccc1Cl 6652147 DWYXNDRCPVYVGQ-UHFFFAOYSA-N 328.843 5.066 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C)cccc1C(C)C 20048484 VJYRZHHVVXEYJS-SFHVURJKSA-N 345.870 5.568 0 40 EKAB CCCCC(=O)N(CC)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993202 TVLXJNCMUGKSMS-HSZRJFAPSA-N 348.490 5.604 0 40 EKAB c1ccc(CN2CCC[C@H]2c2cccnc2Nc2ccccc2)cc1 72214128 RSEXDVJIRPNPGM-NRFANRHFSA-N 329.447 5.162 0 40 EKAB COc1ccc2c(ccn2-c2ccc(Br)cc2Cl)c1 95915883 KBRJSMOYBKSNHM-UHFFFAOYSA-N 336.616 5.055 0 40 EKAB c1ccc(COc2ccc3ccccc3c2CNc2ccccc2)cc1 106957386 CHBBBIALZZFXOC-UHFFFAOYSA-N 339.438 6.031 0 40 EKAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC(C)CC1 225667991 MPSDOCMXFPEOFW-UHFFFAOYSA-N 347.499 5.035 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2[C@H](C)CC)cc1 505783 AKVNYOCCIHAZPA-DLBZAZTESA-N 339.479 5.731 0 40 EKAB Cc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)n1 574024 BIIIJWRHSKLZGH-UHFFFAOYSA-N 326.852 5.398 0 40 EKAB CC(C)CCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 1738931 IPZBKRZCXMWIMK-IBGZPJMESA-N 348.534 6.433 0 40 EKAB Cc1ccc2nc(-c3cccnc3)c(Nc3ccc(Cl)cc3)n2c1 2466473 UAYMSYVJWUSTKB-UHFFFAOYSA-N 334.810 5.102 0 40 EKAB O=C(Oc1ccc2ccccc2c1)c1ccccc1Oc1ccccc1 3360801 QNRFWBIEMWAHML-UHFFFAOYSA-N 340.378 5.851 0 40 EKAB CC[C@@H](C)C(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C 3670813 PDEHVMSVBREZFS-UZUQRXQVSA-N 335.491 5.554 0 40 EKAB COc1ccccc1C1=Nc2ccccc2N=C(c2ccccc2O)C1 5758958 LECPLPRIFMXKDQ-UHFFFAOYSA-N 342.398 5.046 0 40 EKAB C[C@@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1cccs1 7359616 PSHZDVPUQMOTMM-CYBMUJFWSA-N 333.522 5.015 0 40 EKAB Cc1ccsc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 10215053 YEORHMXCJGDJOZ-RXVVDRJESA-N 346.455 5.299 0 40 EKAB Cc1cc(C)c([C@H](C)Sc2nnc(-c3ccoc3C)n2C)c(C)c1 40157823 KDENXGPRXCHOHG-HNNXBMFYSA-N 341.480 5.162 0 40 EKAB COc1cccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)c1 78401185 AIFOMKQENOZSRI-UHFFFAOYSA-N 331.202 5.126 0 40 EKAB CCc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 223569075 LVGZDGQGBKHBSH-INIZCTEOSA-N 325.452 5.087 0 40 EKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225504594 LQYUOGWWFAQIAW-UHFFFAOYSA-N 337.463 5.234 0 40 EKAB Cc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)c(C)c1 409134291 OOPOFTXHJCFXIE-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 585162596 XYFUVLIWAXYEIS-WOVFQEGDSA-N 329.871 5.607 0 40 EKAB Cc1ccc2nc(-c3ccsc3)c(Nc3ccc(Cl)cc3)n2c1 426799 OFVSJBUKVZZBCL-UHFFFAOYSA-N 339.851 5.768 0 40 EKAB CCC(CC)C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C 506140 WZIAJJLOPZTIHB-UZLBHIALSA-N 336.479 5.401 0 40 EKAB Cc1ccc(C)c(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)c1 1797621 VLBNCJNNKBMFKT-UHFFFAOYSA-N 348.442 5.176 0 40 EKAB Cc1nn2c(NC3CCCC3)cc(C(C)C)nc2c1-c1ccccc1 2442527 WUOWNTFXLCUMNU-UHFFFAOYSA-N 334.467 5.183 0 40 EKAB CCOc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)ccc1OC 6078656 XQDBINHMYBTCTG-VQHVLOKHSA-N 339.460 5.491 0 40 EKAB C[C@H](NCc1cccc(OCc2ccccc2F)c1)c1ccccc1 8534273 GJNPHBCKDQEVMI-KRWDZBQOSA-N 335.422 5.256 0 40 EKAB CC(C)(C)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3ccco3)c2C1 12631692 DBYAXUNRLPXQBE-AWEZNQCLSA-N 345.442 6.392 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3Cl)o2)cc1 15867348 LRACPDUXCZDMNR-UHFFFAOYSA-N 339.822 5.480 0 40 EKAB COc1ccc(Nc2ccc(NC(=O)c3sccc3C)cc2)cc1 17593174 ATUCYTDZRSFYDP-UHFFFAOYSA-N 338.432 5.061 0 40 EKAB Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1c1ccsc1 58081661 QMZRARXWZTXVFT-HNNXBMFYSA-N 330.478 5.110 0 40 EKAB Cc1ccc(C(C)C)c(OC(=O)c2cc(-c3ccccc3)oc2C)c1 59497588 COSMQYALQDVBMP-UHFFFAOYSA-N 334.415 5.906 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(c1)CCCC2 96586439 QOCYOVRKJGXXDA-UHFFFAOYSA-N 337.463 5.015 0 40 EKAB CCOc1ccccc1C[C@H]1C(=O)N(c2ccccc2)c2ccccc21 101013902 LHRFKSCHVPGGPE-HXUWFJFHSA-N 343.426 5.090 0 40 EKAB Cc1cccc(C)c1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225031177 LAYUZEDLKSKVOU-JOCHJYFZSA-N 346.426 5.045 0 40 EKAB COc1ccc(-c2nc3cc(C)ccn3c2NC2CCCCC2)cc1 319914 IRYZNQKWUNMLSQ-UHFFFAOYSA-N 335.451 5.063 0 40 EKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1F 326312 SWEVWAGMGSNABY-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB Cc1n[nH]c(C)c1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 480046 MOAQYXLINMXLJQ-UHFFFAOYSA-N 346.459 5.235 0 40 EKAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 483291 JJOGYSDMPUUQPS-INIZCTEOSA-N 348.446 5.208 0 40 EKAB COc1ccc(Oc2cccc3c2[C@@H](O)C[C@H]3c2ccccc2)cc1 1383489 ZSESMMUNDVHDRD-PMACEKPBSA-N 332.399 5.057 0 40 EKAB COc1ccc(C2=NC[C@@H](CSc3ccc(Cl)cc3)S2)cc1 2638233 ZIAIBNJDMRXCSH-INIZCTEOSA-N 349.908 5.003 0 40 EKAB CCc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 3171194 PVSOSVWFEVSTAO-UHFFFAOYSA-N 339.479 5.513 0 40 EKAB COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 4136439 XCJCJKVUHPVUOQ-DTQAZKPQSA-N 340.426 5.264 0 40 EKAB Cc1cc2cc(CNC(=O)c3ccc(-c4ccccc4)cc3)ccc2[nH]1 4138077 NORKMENCZFILAM-UHFFFAOYSA-N 340.426 5.073 0 40 EKAB CCOc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 5464383 CFSHPGDZQAOBOR-UHFFFAOYSA-N 345.398 5.166 0 40 EKAB Cc1cccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)c1C 10165977 KXLHFWOZOSMQHK-UHFFFAOYSA-N 341.842 5.188 0 40 EKAB CCC[C@H](C(=O)Nc1ccc(-c2nccs2)cc1)c1ccccc1 14117976 OMZQEBGSUNUODC-SFHVURJKSA-N 336.460 5.333 0 40 EKAB Clc1ccc(COc2cccc(CNC3CCCCCC3)c2)cc1 16399539 RVYNBVROCYQUHT-UHFFFAOYSA-N 343.898 5.731 0 40 EKAB C[C@H](NCc1ccccc1OCCc1ccccc1)c1ccccc1 19737865 CYISGRRQXNONOI-IBGZPJMESA-N 331.459 5.159 0 40 EKAB CC[C@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(C)cc1 20452234 BHWOMJZEIYCTOS-FQEVSTJZSA-N 333.431 5.038 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1C 20456897 FQPRBYSTIHVRPC-GOSISDBHSA-N 331.843 5.061 0 40 EKAB COc1cccc2c1N(C(=O)c1cccc(Cl)c1)C(C)(C)C[C@@H]2C 20569407 HLLGHFADSLEKIG-ZDUSSCGKSA-N 343.854 5.281 0 40 EKAB CCNc1nnc(SCc2sc3ccccc3c2Cl)s1 25817187 IABAURMMRMTXCY-UHFFFAOYSA-N 341.914 5.130 0 40 EKAB c1ccc(-c2c[nH]c(SCc3cc(-c4cccs4)on3)n2)cc1 27660493 YQLDTAXMOOGAJG-UHFFFAOYSA-N 339.445 5.086 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1c(-c2ccccc2)cn2ccccc12 27752590 MJTDDWWELVLAQG-UHFFFAOYSA-N 346.817 5.512 0 40 EKAB C[C@@H]1CCc2n(c(-c3ccccc3)c[n+]2-c2ccc(Cl)cc2)CC1 27788719 FKYCCVIPCKVIKZ-MRXNPFEDSA-N 337.874 5.058 0 40 EKAB Cc1ccc([C@@H](NC(=O)/C=C/c2ccc(F)cc2)c2ccccc2)cc1 44840592 FMBUIUOLUQFGLE-LJJIPZOBSA-N 345.417 5.053 0 40 EKAB COc1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)c(OC)c1 67321898 RPFMIDHKFVNIME-UHFFFAOYSA-N 346.839 5.224 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(F)cc2Cl)c(Cl)c1 71761754 LNYOHFIMVOANFT-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 89688844 ZIHYNVNPBDMDSU-CYBMUJFWSA-N 332.447 5.162 0 40 EKAB Cc1c([C@H](C)NC(=O)NCc2cc3ccccc3o2)oc2ccccc12 95365023 JBUOOEDXRGWUPR-AWEZNQCLSA-N 348.402 5.048 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1C[C@@H]2CC[C@@]13CCC[C@@H]23 216058575 ULOOTODLOBJAKK-UMPLHGAUSA-N 340.250 5.511 0 40 EKAB CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 408563501 NQPNNJWFIWLICW-OVCLIPMQSA-N 337.463 5.423 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1OCC 409112338 FZJJBOLLBCEZNN-UHFFFAOYSA-N 347.886 5.702 0 40 EKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCC 409120758 SRGFNTHVMWYLKA-UHFFFAOYSA-N 333.859 5.366 0 40 EKAB Cc1ccc(C)c(-c2csc(NC(=O)/C=C/c3ccccc3)n2)c1 175185 AHZBKIPAUYFKPZ-ZHACJKMWSA-N 334.444 5.079 0 40 EKAB Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 278089 FAPJNWPAOVBJEE-NQIIRXRSSA-N 346.455 5.299 0 40 EKAB Cc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1 290078 DPZRQYIHCLYIGI-UHFFFAOYSA-N 345.265 5.625 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 364898 MTFSBCMYKAUUDD-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1nc2c(Cl)c(Cl)ccc2s1 557837 VAVKRTZBINESFC-RMKNXTFCSA-N 349.242 5.255 0 40 EKAB COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 1396897 FUBWVZHKCDICCC-UHFFFAOYSA-N 343.835 5.329 0 40 EKAB Cc1cnc2cc(Cl)ccc2c1NCCN(CC(C)C)CC(C)C 1712668 RGLMFCRDXLXIBE-UHFFFAOYSA-N 347.934 5.223 0 40 EKAB CSc1ccccc1CCC(=O)c1ccc(Cl)c(Cl)c1 2516634 LKAYGMMXRDTBPX-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1C 2659806 AKJJRYQXVPJCSA-UHFFFAOYSA-N 337.492 5.262 0 40 EKAB Clc1cc(Cl)c2nc(N3CCc4ccccc4C3)sc2c1 4137881 YAZUOPFCMCHTNQ-UHFFFAOYSA-N 335.259 5.166 0 40 EKAB Clc1ccc(-c2csc(Cn3cnc(Cl)c3Cl)n2)cc1 4285938 RXSCLIBLIJSMBW-UHFFFAOYSA-N 344.654 5.015 0 40 EKAB CC(C)c1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1 6307467 UIEIFGSDKSHPJE-BUHFOSPRSA-N 342.442 5.971 0 40 EKAB CC(C)Oc1cccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)c1 6820124 NXRHRJNMCYHIQH-HXUWFJFHSA-N 331.415 5.101 0 40 EKAB Cc1sc2nc(-c3cccs3)nc(NC3CCCC3)c2c1C 6937718 PLUJHEJBHLSLPT-UHFFFAOYSA-N 329.494 5.391 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CSCc1ccc(Cl)cc1 7483606 JXDPKKIKCXNRHN-UHFFFAOYSA-N 347.911 5.644 0 40 EKAB COc1ccc(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 7813813 TVHQVHWADWPAQA-OAQYLSRUSA-N 337.850 5.228 0 40 EKAB CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc1 9420037 ULTXSKXXBNLWNG-FQEVSTJZSA-N 347.487 5.370 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 14006957 VKGQGUMWYKWQOH-SECBINFHSA-N 344.625 5.053 0 40 EKAB Cc1ccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)cc1 20405245 MQSHEINBZPHZIZ-UHFFFAOYSA-N 349.821 5.464 0 40 EKAB O=C(CN(C1=NCCCCC1)C1CCCCC1)c1ccc(Cl)cc1 41104946 DCWLGGIYULDEHC-UHFFFAOYSA-N 346.902 5.130 0 40 EKAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3CCc3ccccc3)cc2c1C 58413552 NEENLJGHWHAMIX-FQEVSTJZSA-N 346.474 5.022 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 59351427 OJTITRFMEVEOLP-RCQQVGEISA-N 348.273 5.501 0 40 EKAB Cc1c(F)cccc1NC(=S)Nc1cc(Cl)ccc1Cl 71326015 WEEZUXSWHFQXGW-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC(C)CN1CCCC[C@H]1c1cccnc1Sc1ccccc1 72217684 OVTLAVBQEBNHCK-IBGZPJMESA-N 326.509 5.416 0 40 EKAB C1=C[C@@H]2C[C@@H]1C1(COC(c3ccc4oc5ccccc5c4c3)OC1)C2 102451904 XKPRGYDWDGPTBV-SYJVCXSYSA-N 332.399 5.214 0 40 EKAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 113951976 PGCMTXNQSVKHAE-FQEVSTJZSA-N 349.430 5.035 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1C 225134013 FHXPJEPFSFIJJF-UHFFFAOYSA-N 345.442 5.667 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)c1 408579065 CWHNTKKOQZTIEH-UHFFFAOYSA-N 336.460 5.296 0 40 EKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1 51960 LPYRJGXPCMXEEG-UHFFFAOYSA-N 344.389 5.558 0 40 EKAB CC(C)(C)c1cc(-c2cnc3n2CCCCC3)cc(C(C)(C)C)c1O 99965 NMNXPXYADNLSCL-UHFFFAOYSA-N 340.511 5.577 0 40 EKAB O=C(C[C@H](SCc1ccco1)c1ccc(O)cc1)c1cccs1 126010 RBMBZAVPCMLROE-SFHVURJKSA-N 344.457 5.294 0 40 EKAB CCc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc1=O 488724 FUVYOWYQQYEXCD-UHFFFAOYSA-N 338.790 5.730 0 40 EKAB biogenic COc1ccccc1N[C@@H](c1ccncc1)c1c(C)[nH]c2ccccc12 1281082 YBOTVORSSASPST-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB CCCN(CCC)[C@H](C)[C@H](O)c1cc2c(c3ccccc13)CCCC2 1706393 BQHOCPDJYJKEBN-HXOBKFHXSA-N 339.523 5.263 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1ncnc2ccccc12 3253510 JOHJRXMYPWBJLS-UHFFFAOYSA-N 336.504 5.836 0 40 EKAB Cc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 6721437 IMBOUWBOGBHBGG-GHTZIAJQSA-N 346.455 5.299 0 40 EKAB CCOC(=O)c1sc2nc(C)cc(-c3ccc(Cl)cc3)c2c1C 12532095 NUQCJAQSYSYFSO-UHFFFAOYSA-N 345.851 5.410 0 40 EKAB Cc1cc(SCc2csc(-c3ccccc3)n2)nc2ccccc12 12970284 DDGFYVQWTDHILH-UHFFFAOYSA-N 348.496 5.959 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1C 13937639 KRSNDPXMENKIDB-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB O=C(Nc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1Cl 16398997 GPVLWAPVYVQUPD-UHFFFAOYSA-N 349.139 5.656 0 40 EKAB O=C1CS[C@@H](c2ccccc2)N1c1ccccc1Oc1ccccc1 17198310 PFOODJWSOZVSRV-NRFANRHFSA-N 347.439 5.258 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1cc(C)ccc1C 20490585 RLRXYKZIOBZVTC-KRWDZBQOSA-N 343.492 5.212 0 40 EKAB Cc1nc(-c2ccc(Cl)cc2)c(NC(=O)c2cccs2)s1 27755076 DPUAASHZYPHIHB-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB CCc1cccc(C)c1NC(=O)CCc1ccc(Cl)cc1Cl 32764348 ZSTQFUBCTCAFTK-UHFFFAOYSA-N 336.262 5.436 0 40 EKAB CCc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1 36613685 HSFLEQRAVKFZBS-UHFFFAOYSA-N 335.373 5.079 0 40 EKAB Cc1ccc(N2NC3(CCCCCCCCCCC3)NC2=S)cc1 59453834 AATUIVSVYWAOKN-UHFFFAOYSA-N 345.556 5.195 0 40 EKAB CC[C@H](C)c1ccc(NCn2nc(-c3cccs3)oc2=S)cc1 59488496 GZUINAMIQWFEAU-LBPRGKRZSA-N 345.493 5.517 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1c(C)cc(C)cc1C 223016942 ORUHIIXFLODBKH-SFHVURJKSA-N 345.870 5.370 0 40 EKAB Cc1ccc(-c2cccc([C@]3(C)C[C@H]3C(=O)O)c2)cc1C(F)(F)F 1615058110 LMRHHFBBVXBHIW-WMZOPIPTSA-N 334.337 5.043 0 40 EKAB O=C(c1ccccc1F)N(c1ccccc1)c1ccc2ccccc2c1 348199 MTUSJDXSTKEGGX-UHFFFAOYSA-N 341.385 5.957 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1 569334 WBCWQZFPIFCQMF-FPYGCLRLSA-N 349.242 5.255 0 40 EKAB CCc1ccc(-n2nc(C)c(-c3ccc(Cl)c(Cl)c3)c2C)cc1 2986227 PZNWPEUOLCVVNH-UHFFFAOYSA-N 345.273 6.025 0 40 EKAB O=C(CCSc1ccc(F)cc1)Nc1cccc2ccccc12 4496861 MHAFPZSRWMTZOT-UHFFFAOYSA-N 325.408 5.100 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2)N3)C1 4545443 DAUMQCRQHARPAL-WZMLOTFKSA-N 338.476 5.033 0 40 EKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1F 5521545 DBFAWLIKGYMEAP-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB CCn1c2ccccc2c2cc(CNCc3ccc(C)cc3)ccc21 6871189 ARCHLWXZMMTSRG-UHFFFAOYSA-N 328.459 5.413 0 40 EKAB c1ccc(COc2ccc3ccccc3c2CNCc2ccco2)cc1 7523608 UMMJVTSOIRLHMI-UHFFFAOYSA-N 343.426 5.302 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)cc(Cl)c1 13994614 LTFFETHSDPDOIL-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB CC(C)C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccccc1 20624787 LXBYFTBYRJQGIN-QGZVFWFLSA-N 332.900 5.414 0 40 EKAB CCCCC[C@H](O)/C=C/[C@H]1CC2CC(C2)[C@@H]1C/C=C/CCCC(=O)O 33838745 ZIWNJZLXPXFNGN-NYPNPCLGSA-N 348.527 5.347 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 44904904 BDRZTGURYNCWAX-HSZRJFAPSA-N 343.470 5.353 0 40 EKAB c1ccc2c(c1)C[C@H]1C[C@]34CSC[C@@]3(Cc3ccccc3C4)C[C@@H]1C2 104188406 MADDTDRCORVCCR-CJRSTVEYSA-N 346.539 5.330 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 225709363 YHWVCVVYYSCYCH-IBGZPJMESA-N 326.509 5.358 0 40 EKAB CCOc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1 225760249 DPCXSUSPZUNTPP-IBGZPJMESA-N 342.508 5.077 0 40 EKAB CC(C)c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 226293903 SITFYQUPTCJGGF-UHFFFAOYSA-N 327.252 5.314 0 40 EKAB Cc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2C)c(C)c1 409047130 MWJZQUPSUBRTQS-UHFFFAOYSA-N 328.868 6.132 0 40 EKAB COc1ccc2c(Cl)c(C(=O)N[C@H](C)c3ccccc3)sc2c1 45951 QIQDAHXEOMWLDS-LLVKDONJSA-N 345.851 5.054 0 40 EKAB O=C(Oc1cccc2cccnc12)c1ccc(-c2ccc(Cl)cc2)o1 273380 CFIKDVIWNPMHLW-UHFFFAOYSA-N 349.773 5.367 0 40 EKAB CSc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 1397972 YOLRRQKTSWRKCB-UHFFFAOYSA-N 336.338 5.144 0 40 EKAB COc1ccccc1-c1coc2c(ccc3oc(C(C)C)cc32)c1=O 1677365 QIKUEYPTHVKMGE-UHFFFAOYSA-N 334.371 5.338 0 40 EKAB Cn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1F 3332552 MTJUYTUOPZZXEC-UHFFFAOYSA-N 349.434 5.067 0 40 EKAB CCCCOc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1 4673242 KODUATRJMGGVJQ-UHFFFAOYSA-N 328.799 5.236 0 40 EKAB CN(C)CCCN1c2cc(Cl)ccc2CCc2ccc(Cl)cc21 5317485 ZRLHYTJLNUJZLB-UHFFFAOYSA-N 349.305 5.182 0 40 EKAB in-vitro C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)cc1 5359671 RBWPCURAOJCYAY-LLVKDONJSA-N 345.468 5.334 0 40 EKAB O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1 6084507 OLLKTVDWWBMFTK-JOCHJYFZSA-N 343.426 5.286 0 40 EKAB CC(=O)c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1 6318216 VMTNXZFIYLJVBF-UHFFFAOYSA-N 346.411 5.353 0 40 EKAB Cc1c(Cl)cccc1-c1ccc(CN[C@H](C)c2ccccc2)o1 7538829 MSBCVVHJQIGSOD-OAHLLOKOSA-N 325.839 5.759 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1C 8040852 JKTHLQKIPIURBK-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1cccc(Cl)c1C 8382855 CDKSXGIGZBKCIZ-UHFFFAOYSA-N 339.822 5.453 0 40 EKAB CCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13068576 UQEJFCJEOYQHEN-GOSISDBHSA-N 334.507 6.187 0 40 EKAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@@H](c2cccs2)S1 15085284 QYJXRNBKVOAZLS-MRXNPFEDSA-N 343.452 5.267 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@H]1CC[C@H]2CCCC[C@@H]2C1 16399383 XEZQBYJNDKLOTM-IOASZLSFSA-N 341.373 5.613 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1ccc(Cl)c(Cl)c1 16608637 SVARYGKGRMWTLF-FFSVYQOJSA-N 344.282 6.003 0 40 EKAB C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 33028195 YQCHMDAUZBYDEO-SCLBCKFNSA-N 348.273 5.115 0 40 EKAB OCCCCCCCCCSCCCC(F)(F)C(F)(F)F 35572109 AZSKACXKBRDCBY-UHFFFAOYSA-N 336.410 5.420 0 40 EKAB in-vitro O=C(Nc1ccccc1Cl)N1CCS[C@H](c2ccccc2)CC1 211144395 NKJXZADIPCUKTP-KRWDZBQOSA-N 346.883 5.052 0 40 EKAB CC[C@@H](NC(=O)COc1ccccc1C(C)C)c1ccc(C)cc1C 222813316 ZSUHGCMRZIBEBX-HXUWFJFHSA-N 339.479 5.073 0 40 EKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc2ccccc12 223788606 SEZAPEZHAKOFTQ-INIZCTEOSA-N 345.442 5.125 0 40 EKAB CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H]2C/C(=C/CCCC(=O)O)C[C@H]12 263617183 MNUUSJMBYLYXGD-WABHOSQQSA-N 334.500 5.101 0 40 EKAB CCCCCCC(=O)C[C@H](SCC)c1c(Cl)cccc1Cl 1570453 OHDNBOBZEMMJDR-INIZCTEOSA-N 347.351 6.717 0 40 EKAB CCN(CC)c1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 1774695 ZUKJOJKOPFLOOG-UHFFFAOYSA-N 333.479 5.441 0 40 EKAB Cc1ccc(CCC(=O)c2ccc(Br)c(F)c2)c(C)c1 2517498 VZXKFPUXOWSFDM-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB CC1(C)C(=O)OC2=C(CCC/C2=C\c2ccccc2)[C@@H]1c1ccccc1 3850142 CHQRLLBSJDTXKD-HCUHUEOSSA-N 344.454 5.875 0 40 EKAB C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1 7750795 VYSPJHSZLCKXGZ-ZDUSSCGKSA-N 325.795 5.091 0 40 EKAB CSc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 8298544 PHGOSHMRMACGBT-MGPLVRAMSA-N 344.505 5.024 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2ccccc2Br)cc1 10434176 LOSSODMTQLGKID-UHFFFAOYSA-N 346.268 5.144 0 40 EKAB CCc1ccc(NC(=O)N[C@@H](CC)c2ccc([C@H](C)CC)cc2)cc1 13321302 MELAFEGQZNNACL-IERDGZPVSA-N 338.495 6.035 0 40 EKAB Cc1ccc(Cl)c(OC(=O)c2oc3ccc(Cl)cc3c2C)c1 14128677 LSOSCCJGFYPTQL-UHFFFAOYSA-N 335.186 5.576 0 40 EKAB CCOc1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 16182802 JFZSVQUSMRBJDF-UHFFFAOYSA-N 341.263 5.201 0 40 EKAB CCCCOc1cccc(NCCOc2ccc(Cl)cc2C)c1 19738342 FJOHVAZTKPEUFC-UHFFFAOYSA-N 333.859 5.318 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCCC1 20046186 IRRHTVGOCFWOAD-FQEVSTJZSA-N 339.479 5.226 0 40 EKAB Cc1ccc(-c2c[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 26423038 KEGLINMXILYAHI-UHFFFAOYSA-N 334.366 5.529 0 40 EKAB Cc1ccc(-c2nnc([C@H](C)Sc3ccc(F)c(F)c3)o2)cc1 39979564 YCQBASHEWDOBIX-NSHDSACASA-N 332.375 5.177 0 40 EKAB CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(C)cc1 44902115 FMHPPHIIYAFVSP-GOSISDBHSA-N 347.911 5.149 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)CCCCC(=O)OC)cc2)cc1 575359122 UJZYZUFPUNRHFM-UHFFFAOYSA-N 338.447 5.222 0 40 EKAB COc1ccc(C2=Nc3ccccc3N=C(c3ccccc3O)C2)cc1 535495 ZWKHCBQRRMQAKR-UHFFFAOYSA-N 342.398 5.046 0 40 EKAB Cc1cccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)c1 541286 FBDUUCILFSALIJ-UHFFFAOYSA-N 328.419 5.070 0 40 EKAB Clc1ccc(Cc2cnc(Nc3ccccc3Cl)s2)cc1 872907 YGEVNWOJDNQQGG-UHFFFAOYSA-N 335.259 5.784 0 40 EKAB CCCCSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 2408634 QLDQEJJNFJHWQY-UHFFFAOYSA-N 345.899 5.559 0 40 EKAB CSc1ccc(CCC(=O)c2ccc(Cl)c(Cl)c2)cc1 2516666 WWSXIOVWESEBJP-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)CSc2ccccc2Cl)cc1 3218259 QVHSUDBEYQSXBU-CYBMUJFWSA-N 333.884 5.584 0 40 EKAB c1ccc(C2=NN(c3ccccc3)[C@@H]3c4cccc5cccc(c45)[C@H]23)cc1 4419428 XSXSETQIICAJFQ-ILBGXUMGSA-N 346.433 5.903 0 40 EKAB CC[C@H](C)Sc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5307491 NEPASDGGXNXOFY-LBPRGKRZSA-N 345.899 5.557 0 40 EKAB Cc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)o1 8586586 FHQIUODEQOCGHM-UHFFFAOYSA-N 348.446 5.128 0 40 EKAB CC(C)Oc1cccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c1 10542722 QRZOTCCAJIMOKS-UHFFFAOYSA-N 345.442 5.071 0 40 EKAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1Cl 13636138 OIEWRTLYNXMRHK-AWEZNQCLSA-N 344.911 5.338 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1Cl 13994443 KMPYRKBUCSZYDZ-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2ccccc2F)cc1C 107041349 RHGWFHGOILXQKW-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1 142016734 VRCRCENCVUTAKX-UHFFFAOYSA-N 333.394 5.512 0 40 EKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)C(C)(C)C)c1 223139102 ZBDMJVSDGHKFAD-UHFFFAOYSA-N 333.815 5.126 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225744071 UYSKMWAMZKYXFA-OXQOHEQNSA-N 335.488 5.178 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1N 226763847 PEMBINGBJPXRNT-UHFFFAOYSA-N 340.810 5.051 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCCOC(C)=O 256929741 RKNFFTAYULCRTQ-XQZPKBTBSA-N 332.528 6.695 0 40 EKAB Cc1ccc(C(=O)O)cc1-c1ccc(-c2nc3ccccc3s2)o1 409190332 WZTAZEHDPVDFBS-UHFFFAOYSA-N 335.384 5.230 0 40 EKAB O=C(CCC1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360809 ISOWJSLZRKGBTI-UHFFFAOYSA-N 338.291 5.877 0 40 EKAB CC[C@@H](C)Cn1c(-c2cccc(Br)c2)nc2ccccc21 352638 XKPDQJRCNCKUDE-CYBMUJFWSA-N 343.268 5.512 0 40 EKAB CCN(CC)CCC[C@H](C)n1c(SC)nc2cc(Cl)ccc21 1873635 WDXHMHWOXHKXEF-ZDUSSCGKSA-N 339.936 5.095 0 40 EKAB CC(C)C(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)C(C)C 4429006 ICPJFLYCNOEUNZ-COPRSSIGSA-N 348.486 5.250 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1ccc2noc(-c3ccccc3)c2c1 5034747 WGSZANYRFIEOBD-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB CCCC[C@H](CC)CNC(=S)Nc1ccc(Cl)cc1Cl 6264620 KXQSALWOJFFUAT-NSHDSACASA-N 333.328 5.496 0 40 EKAB Cc1cccc(C(C)C)c1NC(=S)Nc1cccc2ccccc12 13812469 JQJKDEDXKGDRQN-UHFFFAOYSA-N 334.488 6.081 0 40 EKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1 14257877 HDFXXXZIGCJOLF-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1cc(C)cc(-n2c(S)nnc2-c2csc3ccccc23)c1 17070944 BLFZQOALYDYPGD-UHFFFAOYSA-N 337.473 5.055 0 40 EKAB S=C(c1ccccc1OCc1ccccc1Cl)N1CCCCC1 33636769 QQFQSDOPAZQQBS-UHFFFAOYSA-N 345.895 5.080 0 40 EKAB Clc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)cc1 85345302 OQLBIUWNJJPCOA-UHFFFAOYSA-N 329.186 5.797 0 40 EKAB c1ccc2c(Nc3ncnc4sc5c(c34)CCCC5)cccc2c1 109610 LVUHGJMNFCHMOZ-UHFFFAOYSA-N 331.444 5.467 0 40 EKAB O=C1CCSc2ccc(Cl)cc2N1Cc1ccc(Cl)cc1 1392634 RTJHIXVKISSNHZ-UHFFFAOYSA-N 338.259 5.022 0 40 EKAB CCc1ccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 2111051 FRSPWUWETFUPEE-JLQMKUNGSA-N 346.474 5.117 0 40 EKAB biogenic Cc1ccc2nc(Nc3c(C)cccc3C)nc(-c3ccccc3)c2c1 3892618 RUULPPVNPQZAAO-UHFFFAOYSA-N 339.442 5.966 0 40 EKAB CCn1c2ccccc2c2cc(CNCc3ccc(F)cc3)ccc21 6871194 LPKYYZRTCFMPDD-UHFFFAOYSA-N 332.422 5.243 0 40 EKAB Cc1ccc(Sc2nsc(Sc3ccc(C)cc3)n2)cc1 12739705 LSLOUYNESALEHQ-UHFFFAOYSA-N 330.503 5.457 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)ccc1F 16490865 VGQQQINBOSFIPM-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC 38773001 TZPJKGDJPYGPDK-KRWDZBQOSA-N 349.883 5.166 0 40 EKAB COc1ccc(-c2c/c(=N\Cc3ccco3)c3cc(C)ccc3o2)cc1 102869069 RECDBZGXEXICCT-BSYVCWPDSA-N 345.398 5.111 0 40 EKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc2c(c1)CCCC2 225632001 WBKAPWOXFNYXCQ-UHFFFAOYSA-N 335.447 5.139 0 40 EKAB O=C(O)c1cc(-c2ccccc2)nc2ccc(-c3cccs3)cc12 1857793900 RYEWCWQVWHFERX-UHFFFAOYSA-N 331.396 5.329 0 40 EKAB Clc1ccnc2cc(-c3cc4nccc(Cl)c4s3)sc12 1857794244 JPRUBHVQDFUGMY-UHFFFAOYSA-N 337.256 5.880 0 40 EKAB Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 284014 DZXYNMAOBBNXRO-UHFFFAOYSA-N 340.220 5.163 0 40 EKAB c1ccc2cc(Oc3ncnc4sc5c(c34)CCCC5)ccc2c1 295814 KMSFKJUJTBGZQU-UHFFFAOYSA-N 332.428 5.516 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)N3CCCc4ccccc43)sc2c1 483189 NZRMNASTQLRCRD-UHFFFAOYSA-N 341.863 5.456 0 40 EKAB O=c1ccc2ccc(OCc3cccc(Oc4ccccc4)c3)cc2o1 493775 MHTKRTSHQOGVOQ-UHFFFAOYSA-N 344.366 5.164 0 40 EKAB biogenic CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1 569074 OHINZNBNDHRTMD-HOTGVXAUSA-N 325.452 5.630 0 40 EKAB Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(Cl)c1 1601259 UYQCXCBNAHYAGA-UHFFFAOYSA-N 335.834 5.419 0 40 EKAB c1ccc(C(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 1671636 RUGHUJBHQWALKM-UHFFFAOYSA-N 334.462 6.651 0 40 EKAB Cc1ccc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)cc1 2369683 YVLLOGKUDOLCMJ-UHFFFAOYSA-N 348.475 5.126 0 40 EKAB Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1 2521623 NTKSJAPQYKCFPP-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB in-vitro COc1ccc(C(C)=O)cc1COc1ccc(Cl)c2ccccc12 2654672 IYMFTYWCTCPQCH-UHFFFAOYSA-N 340.806 5.283 0 40 EKAB Cc1csc(N(C(=O)c2cc3ccccc3o2)c2ccccc2)n1 3554647 OQFOASNQPNMLIP-UHFFFAOYSA-N 334.400 5.176 0 40 EKAB Cc1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1N 5488388 OIOPQPRKPLXTHL-UHFFFAOYSA-N 349.477 5.960 0 40 EKAB O=C(NC1CCCCCC1)c1sc2cc(F)ccc2c1Cl 6790169 PFGVPZPBWUUPFC-UHFFFAOYSA-N 325.836 5.146 0 40 EKAB C[C@@H](CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 6851168 FEOOVVNQLOOTQZ-KRWDZBQOSA-N 331.415 5.611 0 40 EKAB CC[C@@H](c1ccccc1)c1nc(-c2ccc(Br)cc2)no1 7781434 OJUSRIXWYGYCMZ-HNNXBMFYSA-N 343.224 5.041 0 40 EKAB C[C@@H](c1ccc(F)cc1)N(C)Cc1cc2ccccc2nc1Cl 12971894 OIIKGQUOJWSHBB-ZDUSSCGKSA-N 328.818 5.220 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)cc1 13931702 DLHVPIGSRCRRSV-QGZVFWFLSA-N 332.900 5.395 0 40 EKAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1 15867353 FKHWQVYWUSYITP-UHFFFAOYSA-N 343.785 5.310 0 40 EKAB CN(C)/C=C/C(=S)N(c1ccccc1)c1cccc2ccccc12 16163025 UDPSMDYMFOCVPY-FOCLMDBBSA-N 332.472 5.381 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2ccccc2c1 28907656 OYWDUMCADQCTQT-MRXNPFEDSA-N 332.447 5.402 0 40 EKAB CCCCOc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 35671889 LRKHJNSDLFZKRC-UHFFFAOYSA-N 328.799 5.236 0 40 EKAB COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1Cl 51354249 UBWQEZHKBRMENH-UHFFFAOYSA-N 344.720 5.011 0 40 EKAB Cc1cccnc1[C@H](NCc1csc(-c2ccsc2)n1)C(C)C 70039273 FDBZITXQOKXWIC-MRXNPFEDSA-N 343.521 5.062 0 40 EKAB COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](C)CC(O)=C32)cc1 102664352 FVKJUSYQFKEVKI-YEJXKQKISA-N 334.419 5.177 0 40 EKAB CC[Si](CC)(CC)C(c1cccc(C)c1)[Si](CC)(CC)CC 219789431 SPOVGOKZXZZXGI-UHFFFAOYSA-N 334.696 7.174 0 40 EKAB CC[C@@H](C)Oc1ccc2c(c1)c(CNC(C)C)c(C)n2CC(C)C 223771341 HLMFBPNSDKSASY-MRXNPFEDSA-N 330.516 5.281 0 40 EKAB Cc1ccc(C(=O)NCCCc2cccc3ccccc23)c(Cl)c1 225005086 REFSLINPDQGFLE-UHFFFAOYSA-N 337.850 5.164 0 40 EKAB COc1ccc(/C=C(/C(=O)Nc2cccc(C)c2)c2ccccc2)cc1 408907531 QFZBNKXUYSXENA-CJLVFECKSA-N 343.426 5.183 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)cc(Cl)c1 243256 NFCIXQRGUYRGGB-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB COc1ccc2c(C)nc(SCc3cccc4ccccc34)nc2c1 477717 SDAAUKBXSBVFBC-UHFFFAOYSA-N 346.455 5.392 0 40 EKAB C[C@@H](NCc1cn[nH]c1-c1ccc(Cl)cc1Cl)c1ccccc1 819522 HDBGZQOXYWWDJX-GFCCVEGCSA-N 346.261 5.234 0 40 EKAB CCSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 2216714 BYBOCLNKBHTJRU-UHFFFAOYSA-N 325.481 5.114 0 40 EKAB O=C(Nc1nc2ccccc2s1)c1cccc(Oc2ccccc2)c1 3265901 KYYVYBBKGCOJKF-UHFFFAOYSA-N 346.411 5.341 0 40 EKAB Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2c(C)cccn12 3911591 DOGVOWZMDAYZTQ-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB CCCC(=O)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 6245880 IHUUUBLITLJQNV-UHFFFAOYSA-N 341.838 5.357 0 40 EKAB Cc1ccccc1SCC(=O)N[C@H](C)c1ccc2ccccc2c1 6654237 UAHVXCJZPMABKT-MRXNPFEDSA-N 335.472 5.118 0 40 EKAB Cc1ccc(C)c(NC(=S)NC(c2ccccc2)c2ccccc2)c1 7517993 WVRPGDQNZGEYJY-UHFFFAOYSA-N 346.499 5.379 0 40 EKAB CCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OCC 10039765 UIOQHSPPFCOKTA-UHFFFAOYSA-N 349.430 5.280 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(Br)s2)c(Cl)c1 14669423 ZMNUPGAUOWBOGL-UHFFFAOYSA-N 344.661 5.033 0 40 EKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)oc2cc1C 21578620 XAGGAGMVSHTRGD-UHFFFAOYSA-N 336.435 5.405 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1C 222949466 PXVCFTAKZMZDOQ-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB Cc1c(Cl)cccc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)O 225070758 PVHMNQRUWYCREQ-GOSISDBHSA-N 346.854 5.021 0 40 EKAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225638394 WHSFGWUEMVLJDB-DAESXHAQSA-N 347.499 5.015 0 40 EKAB S=C(Nc1ccccc1)NC1(c2ccccc2Cl)CCCC1 225840147 RPCXCAWKZLKHLP-UHFFFAOYSA-N 330.884 5.096 0 40 EKAB CCc1ccc(C(=O)n2c3c(c4cc(Cl)ccc42)CCCC3)cc1 227158247 CYPKKSNXMBYAAO-UHFFFAOYSA-N 337.850 5.424 0 40 EKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc2ccccc2c1 408587144 RBESSELKQFWSBN-UHFFFAOYSA-N 339.822 5.534 0 40 EKAB Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)cc1 427544 VJYVKASOLCLQGO-UHFFFAOYSA-N 327.431 5.670 0 40 EKAB O=c1oc2c(ccc3occc32)c(N2CCCCC2)c1-c1ccccc1 1618930 XIQSAVRUNYLUBQ-UHFFFAOYSA-N 345.398 5.197 0 40 EKAB C[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1OCCN(C)C 1734067 FUEBKVWDTOLQRH-ZDUSSCGKSA-N 338.278 5.086 0 40 EKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 1909405 ZLOXRFKZMJQTCQ-UHFFFAOYSA-N 341.332 5.625 0 40 EKAB O=C(NCc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1 2661849 OOHGYDYKINSFCV-UHFFFAOYSA-N 349.861 5.055 0 40 EKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1Cl 3329542 FHCWLOGURFVQNV-UHFFFAOYSA-N 333.573 5.143 0 40 EKAB Cc1cc(Nc2ccc3ccccc3n2)n(-c2ccc(Cl)cc2)n1 5201305 AAZHXUHUXYJBDH-UHFFFAOYSA-N 334.810 5.126 0 40 EKAB Cc1nc(Nc2ccc(Cl)cc2Cl)c2oc3ccccc3c2n1 5277996 WYRVAOVXBQZECM-UHFFFAOYSA-N 344.201 5.735 0 40 EKAB Cc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1Cl 6278459 RSPMDODALWHETL-XYOKQWHBSA-N 327.855 5.598 0 40 EKAB CCOc1cc(CNC(C)(C)C)ccc1OCc1ccc(Cl)cc1 8254504 RGKQJHMFKLIKLE-UHFFFAOYSA-N 347.886 5.206 0 40 EKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1 9141320 YVSYPXUKQZHBTN-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(N(C)C)n2)cc1 12016173 XFXQVUMGZMLGAK-UHFFFAOYSA-N 349.503 5.119 0 40 EKAB CCCCOc1ccc(CNc2ccccc2OCCCC)cc1 19738488 HBSCSXXQNDCFAR-UHFFFAOYSA-N 327.468 5.657 0 40 EKAB Cc1cc(C)c2oc(Nc3nc4c(Cl)cccc4s3)nc2c1 57352913 WXIUDDBIHWXLJI-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB CCc1cccc2c(C(=O)[C@@H](N[C@H](C)CC)c3ccccc3)c[nH]c12 58166976 WHKXEEKQWUZWAX-VFNWGFHPSA-N 334.463 5.042 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1 59472323 HILWLURSODVZRG-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB C[C@@H](CN(Cc1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 68605839 OWUPTAZEPQQUSB-IBGZPJMESA-N 340.470 5.978 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1C[C@@H]1c1ccco1 95381719 CEZMXWKRZZYIJY-JKSUJKDBSA-N 335.428 5.173 0 40 EKAB Cc1cccc(CSCC(=O)N[C@H](CC(C)C)c2ccccc2)c1 222744048 JHIVIPATLBALJR-HXUWFJFHSA-N 341.520 5.132 0 40 EKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(C)cc2C)c2ccccc2O1 223476183 XJKVDRDJNZARTL-LJQANCHMSA-N 337.463 5.116 0 40 EKAB CC1(C)C(C(=O)c2nn(CCCCCF)c3ccccc23)C1(C)C 299817203 LVJQJRUAYXVEGN-UHFFFAOYSA-N 330.447 5.041 0 40 EKAB in-vitro CCCCC/C=C/C/C=C/C/C=C/C[C@@H]1O[C@@H]1CCCC(=O)OC 299888779 XGESKIWNDBIILZ-KUOQCNDVSA-N 334.500 5.516 0 40 EKAB CC(C)Cn1c(C(C)(C)C)csc1=Nc1ccc(F)c(Cl)c1 575628221 HIZIPTORURLSFK-UHFFFAOYSA-N 340.895 5.528 0 40 EKAB Cc1c(Cl)cccc1NC(=O)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 1559660756 BJQLPOYHBJQLJD-LGJCEAAXSA-N 343.898 5.916 0 40 EKAB C[C@H]1CC(NC2CCCCC2)=Nc2ccccc2N1Cc1ccccc1 1863738 GYUWWNGCFSDGRK-SFHVURJKSA-N 347.506 5.438 0 40 EKAB O=C1C[C@H](c2ccc(Cl)cc2Cl)Oc2ccc(Cl)cc21 2042518 SUCOITMKXZOZJV-OAHLLOKOSA-N 327.594 5.353 0 40 EKAB O=C(CSc1ccc2ccccc2c1)N[C@@H]1CCCc2ccccc21 2646950 HXENFQLJJLGJQN-OAQYLSRUSA-N 347.483 5.126 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4026570 NOSSBHBMUGGCBX-JKRPLBHJSA-N 342.523 5.360 0 40 EKAB biogenic CC[C@H](C)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 4599506 YDWBWZBUCBZOIW-ZDUSSCGKSA-N 346.268 5.144 0 40 EKAB CC(C)(C)[C@H]1CCc2nc3sc4c(c3c(N)c2C1)CCCCC4 4721803 UIGZOJDTJKYSFZ-LBPRGKRZSA-N 328.525 5.298 0 40 EKAB CCCCCCc1c(C)c2ccc(OCC=C(C)C)c(C)c2oc1=O 5548425 HRIMGSAOKZLOTP-UHFFFAOYSA-N 342.479 5.878 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)NC1CCCCC1 6927627 ICHIAMGMBNRKAN-UHFFFAOYSA-N 326.465 5.292 0 40 EKAB CCSc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 7069026 UBIUQMCFMCUEMC-UHFFFAOYSA-N 326.248 5.358 0 40 EKAB COc1ccc2oc(C(=O)Nc3c(C)cc(C)cc3Cl)c(C)c2c1 7803498 PLSAOBQFNHYLSI-UHFFFAOYSA-N 343.810 5.272 0 40 EKAB C[C@@H](SCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 10277712 MQMUBUNIFGXMNY-LLVKDONJSA-N 340.275 5.254 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1cccc(Cl)c1 19879399 NMJYNSBYFFOCRI-NRFANRHFSA-N 347.849 5.726 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 20454814 FHCOFRXREVDWPG-KRWDZBQOSA-N 347.911 5.720 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2[nH]1 32962637 HKGSMFCVSXVYEZ-UHFFFAOYSA-N 326.399 5.011 0 40 EKAB Cc1c(Cl)cccc1Nc1c(-c2ccccc2O)nc2ccccn12 35616296 LCTRPAKWAJIOMD-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB CC[C@H](C)NCc1ccccc1OCc1ccc(Cl)c(Cl)c1 40732406 GEGBMXVNEKJDPJ-ZDUSSCGKSA-N 338.278 5.461 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C)ccc1C 113970359 PINHEJCJOOHGND-GOSISDBHSA-N 331.843 5.061 0 40 EKAB CCCOCc1cc(C(=O)Nc2cccc3ccccc23)ccc1OC 224412573 PVYJALQSGSABSS-UHFFFAOYSA-N 349.430 5.027 0 40 EKAB CCCOc1c(C)cc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225718061 TUXMTPFGYUDQRD-YCRPNKLZSA-N 347.499 5.016 0 40 EKAB CCOc1ccc2nc(C)cc(Nc3cc(Cl)ccc3OC)c2c1 71839 CHBVLPPUOLDZPX-UHFFFAOYSA-N 342.826 5.348 0 40 EKAB COc1cccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)c1 137410 BERKUTPZKOKKDS-UHFFFAOYSA-N 346.361 5.237 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1 385397 AXBIALVJPYXKJH-INIZCTEOSA-N 333.406 5.543 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 569385 WKVAZDINFYNXDF-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB O=C(CCc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1Cl 2517873 HDYZVNCLPGBCOA-UHFFFAOYSA-N 333.136 5.226 0 40 EKAB C[C@@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O)c2C1 3885951 ATJAFMBXOWIHEQ-LBFFYKKLSA-N 329.399 5.056 0 40 EKAB Cc1ccc(-c2csc3nc(-c4ccncc4)nc(Cl)c23)cc1 4204902 LIVNIHJUJOLCOO-UHFFFAOYSA-N 337.835 5.382 0 40 EKAB CCOc1ccc(-c2csc(Nc3ccccn3)n2)c2ccccc12 12615710 XYOCJSGSEHTJMV-UHFFFAOYSA-N 347.443 5.501 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14665369 FRGJVMWLPJMMHT-AWEZNQCLSA-N 345.870 5.352 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(Cl)cc1 21130208 WQNCYAURNPMLHS-KGLIPLIRSA-N 330.859 5.293 0 40 EKAB Cc1cccc(NC(=O)c2cccnc2Nc2c(C)cccc2C)c1 22072476 FHHPAQGDPAEJJS-UHFFFAOYSA-N 331.419 5.003 0 40 EKAB COc1ccc(-c2nc(CSc3ncccc3Cl)cs2)cc1 23103383 DSHUEILMPFJYPB-UHFFFAOYSA-N 348.880 5.159 0 40 EKAB CCc1cccc(C)c1NC(=O)c1ccc(-c2ccc(F)cc2)s1 25010850 OEYODVUYUKOTIC-UHFFFAOYSA-N 339.435 5.677 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 30866439 MPARMXCFDFEEMC-KDOFPFPSSA-N 347.911 5.397 0 40 EKAB Fc1ccc(Sc2cc(Sc3ccc(F)cc3)ncn2)cc1 32831567 DGRRBBIHEOLTCZ-UHFFFAOYSA-N 332.400 5.057 0 40 EKAB Cc1cc(N(C)C)ccc1NC(=O)c1oc2c(Cl)cccc2c1C 40111723 MAUMLJHZZWGAKG-UHFFFAOYSA-N 342.826 5.021 0 40 EKAB Cc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 59472304 XYHFRDQKYWQJBZ-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@@H](C(F)(F)F)S1 71286764 SQDLBWZXFRNYNV-LBPRGKRZSA-N 347.406 5.274 0 40 EKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc2[nH]ccc2c1 72221763 KCALJOKQHHXQFI-FQEVSTJZSA-N 334.419 5.032 0 40 EKAB CCc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(C)[nH]3)o2)cc1 95468333 WRZITTJDWVYIKW-UHFFFAOYSA-N 328.415 5.875 0 40 EKAB Fc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101225632 SFAZWHJCZNRSHN-CTNGQTDRSA-N 343.405 5.322 0 40 EKAB C[C@H](Nc1nc(-c2cccs2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102325357 HHFISKWXWWZFLZ-JKQORVJESA-N 349.503 5.595 0 40 EKAB CC(C)c1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 113940741 GKNSFYQTNIMNBI-UHFFFAOYSA-N 329.399 5.962 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CCc2cccc3ccccc23)c(C)c1 222675605 IPLDETGEANGXBN-GOSISDBHSA-N 331.459 5.267 0 40 EKAB CCCO[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253617274 FZEADSGDYUIZQS-DVFOPUQSSA-N 332.528 5.105 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 36349 ONAFOBKUSMYFFG-TVQRCGJNSA-N 332.658 5.178 0 40 EKAB O=C(Oc1cccc2ccccc12)c1cc(Cl)nc2ccccc12 544601 RRAHOMCNDALWFM-UHFFFAOYSA-N 333.774 5.261 0 40 EKAB COc1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)cc1 545680 LYILJEHATBEWLQ-UHFFFAOYSA-N 333.435 5.050 0 40 EKAB CCOc1ccc(N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 1665871 MLYZKUWJKRIJSD-QHCPKHFHSA-N 347.458 5.490 0 40 EKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1c(C)cccc1C 2080160 GHJAZYWVIOCDFG-UHFFFAOYSA-N 331.843 5.063 0 40 EKAB Clc1ccccc1CSc1nnc(C2CC2)n1-c1ccccc1 2627619 KUGFTIWMDLMTEY-UHFFFAOYSA-N 341.867 5.090 0 40 EKAB CCCCCCC(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 4491865 VGXLBSFFADVRIN-UHFFFAOYSA-N 345.512 5.412 0 40 EKAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CC(C)C)cc1C 4492458 HBFTWQLVFGDUEN-DQRAZIAOSA-N 336.504 5.722 0 40 EKAB COc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)c(OC)c1 5156737 MXXPURMNUYCQEP-CYBMUJFWSA-N 340.448 5.000 0 40 EKAB Cc1cc2occ(CC(=O)Nc3ccc(Cl)cc3F)c2cc1C 5688079 GMQMKXYIHCIBNY-UHFFFAOYSA-N 331.774 5.023 0 40 EKAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(Cl)s2)cs1 7736642 NIFZAMXPGYWTQS-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB CCOc1cccc(/C=C/c2nc3cc(Cl)ccc3o2)c1OC 8321257 AQOAMPMXPGTDML-JXMROGBWSA-N 329.783 5.059 0 40 EKAB Cc1ccc(NC(=O)N(C2=NCCC2)c2ccc(C)c(Cl)c2)cc1 10166036 AWQXZUHUYHEOPI-UHFFFAOYSA-N 341.842 5.188 0 40 EKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 15540012 FTYDOUSZSXYWNK-UHFFFAOYSA-N 345.773 5.333 0 40 EKAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 20460989 VUFWNKHROVJIID-MRXNPFEDSA-N 341.451 5.003 0 40 EKAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc2ccccc12 36392740 YQMKKLXCPPKOHC-UHFFFAOYSA-N 343.348 5.131 0 40 EKAB CC[C@@H](C)NCc1ccccc1OCc1ccc(Cl)c(Cl)c1 40732403 GEGBMXVNEKJDPJ-CYBMUJFWSA-N 338.278 5.461 0 40 EKAB CCOc1ccc2nc(Nc3nc4ccccc4s3)sc2c1 57352465 ILFVIZAOVFFHLF-UHFFFAOYSA-N 327.434 5.048 0 40 EKAB Nc1c(-c2c(O)ccc3ccccc23)cc(Cl)c(Cl)c1Cl 169800771 CGJJMLBSTOMLEA-UHFFFAOYSA-N 338.621 5.755 0 40 EKAB Cc1ccc(C)c(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225759704 CEXNCZMTSLLIKH-LJQANCHMSA-N 326.509 5.296 0 40 EKAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225801079 VRKOACQFOJFAHG-OAQYLSRUSA-N 343.467 5.161 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OCC 334138325 SSQPWTVBQMWLSZ-QKJKNCSVSA-N 330.512 6.471 0 40 EKAB O=C(NCc1cccc2ccccc12)c1cc(Cl)cc(Cl)c1 408604620 VTDBKQKYHQGMIE-UHFFFAOYSA-N 330.214 5.077 0 40 EKAB Cc1cccc(CSc2nnc(-c3ccccc3)n2CC(C)C)c1 409109053 XDHINQWJBTZDEJ-UHFFFAOYSA-N 337.492 5.202 0 40 EKAB CCC(CC)c1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 151146 FLADDWPGWQSMPW-UHFFFAOYSA-N 344.267 5.001 0 40 EKAB Cc1ccc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)c(C)c1 348259 PUZYTLSOXAUOMR-UHFFFAOYSA-N 345.870 5.406 0 40 EKAB O=C(CCc1cc(F)c(F)c(F)c1)c1cc(Cl)cc(Cl)c1 2517877 KNADJWKHTOIITE-UHFFFAOYSA-N 333.136 5.226 0 40 EKAB Cc1cccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1C 3189486 CDTJWSGGQSCXAI-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB Cc1ccc(Nc2ncnc3sc4c(c23)CCCC4)c(Cl)c1 3340004 TZIMLBJWPIHVKF-UHFFFAOYSA-N 329.856 5.276 0 40 EKAB O=C1O[C@@](OC2CCCCC2)(c2ccc(Cl)cc2)c2ccccc21 4151861 ABYWTZQTQKPOBJ-FQEVSTJZSA-N 342.822 5.061 0 40 EKAB O=C(CCC1=Cc2ccccc2C1)Nc1cccc(C(F)(F)F)c1 5234789 KLMCHXYBXXEXBZ-UHFFFAOYSA-N 331.337 5.064 0 40 EKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)oc2c1 6456546 FCJZZBWKGNBZQN-UHFFFAOYSA-N 342.482 6.876 0 40 EKAB Cc1ccc(OCCCn2cc(C(=O)C(C)(C)C)c3ccccc32)cc1 6546524 BBHBZHOEOUPQMM-UHFFFAOYSA-N 349.474 5.648 0 40 EKAB CCC(CC)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C 6781401 BUZUMWONWWPOJN-UHFFFAOYSA-N 339.464 5.041 0 40 EKAB Fc1ccc(CSCc2csc(-c3ccc(F)cc3)n2)cc1 6850470 VPLOJSQINFACOL-UHFFFAOYSA-N 333.428 5.522 0 40 EKAB O=C(c1ccc(Cl)cc1Cl)N1CCC(c2ccccc2)CC1 6864101 BGLKMKTVXRMENQ-UHFFFAOYSA-N 334.246 5.013 0 40 EKAB Clc1ccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@H]23)c(Cl)c1 7098225 ZFVVNPQHJRWTJN-JLSDUUJJSA-N 334.246 5.628 0 40 EKAB Cc1ccc(CNCc2cccc(OCc3ccc(F)cc3)c2)cc1 7537909 ZKPYHFYHJLOLFR-UHFFFAOYSA-N 335.422 5.003 0 40 EKAB CC[C@H](C)NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8326748 NRYBGGQKSXBBQF-ZDUSSCGKSA-N 338.278 5.461 0 40 EKAB CCCCc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 9141798 QLVOZZHSDBTHAF-UHFFFAOYSA-N 325.496 5.574 0 40 EKAB O=C(CCC1CCCC1)Nc1ncc(Cc2cccc(Cl)c2)s1 11690094 WEUXWEYNMJVOIQ-UHFFFAOYSA-N 348.899 5.296 0 40 EKAB Cc1c(Cl)cccc1NC(=O)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 13562525 BJQLPOYHBJQLJD-WWNYCDCASA-N 343.898 5.916 0 40 EKAB CC(C)(C)c1cc(/C=C2\C(=O)Nc3ccccc32)cc(C(C)(C)C)c1O 13780154 NUMNJHZZSGKINB-WJDWOHSUSA-N 349.474 5.480 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 13816257 OQWDCFAQOHALRC-GFCCVEGCSA-N 338.398 5.061 0 40 EKAB COc1ccc(C)cc1[C@@H](CCN(C(C)C)C(C)C)c1ccccc1 16696728 CCXFTVHDCYNKJH-NRFANRHFSA-N 339.523 5.644 0 40 EKAB in-vitro Cc1cccc(-c2nnc([C@H](C)Sc3ccc4ccccc4c3)o2)c1 17716680 NKVLNOQXFYUFIJ-HNNXBMFYSA-N 346.455 6.052 0 40 EKAB CC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 20457492 NZOBUZDCMNUGGJ-HSZRJFAPSA-N 343.470 5.476 0 40 EKAB Cc1cc(C)c(NC(=O)CCc2ccc(Cl)cc2Cl)c(C)c1 46569679 NAYXDHKQSVCDEE-UHFFFAOYSA-N 336.262 5.490 0 40 EKAB Cc1ccc(Cl)cc1NC(=S)Nc1cccc(Cl)c1F 71326211 ZVUJDTQROPHLMW-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1Cl 225079860 AWWGVRKAFNMCHN-SFHVURJKSA-N 346.854 5.021 0 40 EKAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCCCCC1 225711873 DKWLTMUNDPGUBP-QGZVFWFLSA-N 347.499 5.240 0 40 EKAB CCCCN1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 226250994 ZOSRFAFAZLEJPA-UHFFFAOYSA-N 325.239 5.024 0 40 EKAB O=C(Nc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 408927346 ZQRQJYLIIFAPTC-XDJHFCHBSA-N 333.818 5.519 0 40 EKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCC)cc1 409113830 JAIQWMIFQPUJFF-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB C[C@H]1CCCc2sc3nc(SCc4ccccc4)nc(N)c3c21 72804 XOLKRWBHYCTXPJ-NSHDSACASA-N 341.505 5.006 0 40 EKAB Nc1c(Cl)cc2oc(-c3cccc(Cl)c3Cl)nc2c1Cl 570185 UDNIUCGYOQEYGV-UHFFFAOYSA-N 348.016 5.691 0 40 EKAB CCCCCOc1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1 1781035 RFOGHXHYKIRJRP-UHFFFAOYSA-N 325.452 5.433 0 40 EKAB O=C(NC1CCCC1)c1ccc(COc2ccc3ccccc3c2)cc1 2752182 QLHWDBBNLITJAG-UHFFFAOYSA-N 345.442 5.091 0 40 EKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 3885064 DBLZUTWTBPGNJZ-ACCUITESSA-N 335.790 5.073 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 4073847 JNABCHQTKFQDJL-JKRPLBHJSA-N 340.507 5.136 0 40 EKAB biogenic O=C(OCc1nc2ccccc2s1)c1cc(Cl)sc1Cl 4174166 ZNQUQTVHINMUJQ-UHFFFAOYSA-N 344.244 5.022 0 40 EKAB CC(C)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 5413671 XZKAXKBAGXJMPA-UHFFFAOYSA-N 325.452 5.125 0 40 EKAB CCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 7261689 BIZNXIYSAUURNN-UHFFFAOYSA-N 347.886 5.207 0 40 EKAB Clc1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)cc1 7524575 HMEUDHXWVICHKT-UHFFFAOYSA-N 341.882 5.658 0 40 EKAB COc1ccc(Nc2nnc(S[C@@H](C)c3ccccc3)s2)cc1 10786365 ZTBJECWAQMPEIO-LBPRGKRZSA-N 343.477 5.144 0 40 EKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)[C@@H](C)CCC3)cc1 12970710 YHTDCACDHPVNEY-AWEZNQCLSA-N 333.500 6.200 0 40 EKAB CCOc1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 13674408 PQOSEGUMQIHNEJ-UHFFFAOYSA-N 331.371 5.237 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709077 RBOZVJWSYHOTDA-CQSZACIVSA-N 339.822 5.208 0 40 EKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 13710290 AAYHUQIBGPMKJW-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB O=C(CSc1cccc2ccccc12)Nc1ccc(Cl)cc1 32692513 RUMLAJWDEHXVAN-UHFFFAOYSA-N 327.836 5.224 0 40 EKAB Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3cccc(Cl)c3)n2c1 35616209 CDLDUCBCABNVEN-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB OC1=Nc2ccsc2[C@@H](c2cccc(C(F)(F)F)c2)SC1 71282967 FBVRGRWJZOMDGF-GFCCVEGCSA-N 329.368 5.191 0 40 EKAB Clc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl 73639977 ZXCXJOFRMCQUDQ-UHFFFAOYSA-N 340.209 6.469 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1C[C@@H]1c1ccco1 95381720 CEZMXWKRZZYIJY-HOTGVXAUSA-N 335.428 5.173 0 40 EKAB COc1ccc(/N=c2/ssc(SC)c2-c2ccccc2)cc1 104131841 OUWMSICCBLJNPK-FBMGVBCBSA-N 345.514 5.440 0 40 EKAB CC(C)[C@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 225184914 KDSBFFHFGGGVMI-AWEZNQCLSA-N 347.911 5.407 0 40 EKAB CC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1 225355544 KPQUDILZBTYTJW-QGZVFWFLSA-N 336.262 5.194 0 40 EKAB COc1cc(C(=O)C[C@@H](C)CC(C)(C)C)ccc1Br 575362180 LRYUSUGILNUNLJ-LLVKDONJSA-N 327.262 5.103 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCC(=C2CCC2)CC1 1775966707 VATKHOUFQZXNKX-UHFFFAOYSA-N 333.431 5.195 0 40 EKAB Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)cc1 2146433 FNLDRAROVORXHU-UHFFFAOYSA-N 335.450 6.699 0 40 EKAB Cc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)c2ccccc2)c1 4129661 DVMHAGIHRNLYDF-UHFFFAOYSA-N 349.455 5.157 0 40 EKAB O=C(Nc1ccc2sccc2c1)c1ccc(Cc2ccccc2)cc1 4200610 FUVLYAKDKDAQQI-UHFFFAOYSA-N 343.451 5.744 0 40 EKAB Fc1ccc(C2=NN(c3cccc(F)c3)[C@H](c3cccs3)C2)cc1 4357006 FJQKTFRQEZZKIV-SFHVURJKSA-N 340.398 5.382 0 40 EKAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 4853941 ULKNDEUATRAGMY-RBBKRZOGSA-N 332.447 5.137 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(-n2cccc2)c1 12553034 XOKNWOUJWKBHKY-UHFFFAOYSA-N 338.410 5.397 0 40 EKAB Cc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1Cl 12653913 CXTUWCOTMPZPCZ-UHFFFAOYSA-N 349.615 5.128 0 40 EKAB Cc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1Cl 13823362 RZVNRNQGHNYQIH-KRWDZBQOSA-N 330.884 5.012 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1 14258376 JIQDGXBFQCCOBI-UHFFFAOYSA-N 348.151 5.573 0 40 EKAB COc1ccc(-c2ccnc(-c3cc(Cl)cc(Cl)c3)n2)cc1 16217449 DDODZIDUXXKKPO-UHFFFAOYSA-N 331.202 5.126 0 40 EKAB Cc1ccc(N[C@@H](CC(=O)c2ccc(C)cc2)c2ccccc2)cc1 16291816 QHYNBBPBJGLVTG-QFIPXVFZSA-N 329.443 5.730 0 40 EKAB CCCCCCSC[C@H](C)O[C@H](C)CSCCCCCC 16638369 CRAZKLZNOFAKBF-HDICACEKSA-N 334.635 6.407 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C 20048682 LJHWSLQCTQQZGY-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccc(COc2cccc(CNc3ccccc3Cl)c2)cc1 33731196 YDAHCPTWSCWNTK-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1cccc(-c2nc3cc(C(C)C)cc(Br)c3o2)c1 73639731 OOIBRSLSEPLPHN-UHFFFAOYSA-N 330.225 5.689 0 40 EKAB Brc1ccc2cc(-c3ccc4ccccc4c3)ccc2c1 113815326 BPSRUMBGSVISHE-UHFFFAOYSA-N 333.228 6.423 0 40 EKAB CSc1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 225371941 JXXBWKACRYHINU-UHFFFAOYSA-N 340.275 5.287 0 40 EKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225518678 INETYKHGPTWWCN-UHFFFAOYSA-N 341.426 5.065 0 40 EKAB CC[C@@H](CNC(=S)Nc1ccc(C(C)C)cc1)Cc1ccccc1 225629579 OTFJFINLNVXIMX-QGZVFWFLSA-N 340.536 5.365 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C)c1 225652556 QMJLMTSDAZJPSJ-NRFANRHFSA-N 349.515 5.488 0 40 EKAB Clc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)cc1 409190808 WJZGWUFTXTUEGL-FHLIZLRMSA-N 334.246 5.628 0 40 EKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CC(C)C)n1 585265493 NDJZCUVZQCZGNE-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB O=C(Nc1cnccc1Oc1ccccc1)c1cc2cccc(F)c2o1 607814764 ZDANJMRZCVBHPZ-UHFFFAOYSA-N 348.333 5.012 0 40 EKAB COc1ccc([C@@H](c2c(C)[nH]c3ccccc23)N2CCC(C)CC2)cc1 72030 ZSUAVCMXGBZSRT-QHCPKHFHSA-N 348.490 5.306 0 40 EKAB Cc1cccc(CSc2ncnc3sc4c(c23)CCCC4)c1 84824 MITGMICNFNDVLB-UHFFFAOYSA-N 326.490 5.171 0 40 EKAB Clc1ccc2nc(-c3ccccc3)c(NC3CCCCC3)n2c1 319964 VWLGFCIJIYYMMH-UHFFFAOYSA-N 325.843 5.399 0 40 EKAB Cc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCC2)cc1 412141 BSQJFTGZMCYPQX-UHFFFAOYSA-N 325.843 5.318 0 40 EKAB CCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1 529386 URCCCAPELCEQNP-UHFFFAOYSA-N 337.448 5.292 0 40 EKAB C[C@H]1CCC[C@H](C)[N+]1=C(Nc1cccc(Cl)c1)c1ccccc1 1730723 FFFBHEBVAARNQH-HOTGVXAUSA-O 327.879 5.172 0 40 EKAB O=C(CCNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 2522071 OQDBLOGKNLFQAP-UHFFFAOYSA-N 327.733 5.044 0 40 EKAB Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCC12CC3CC(CC(C3)C1)C2 3996591 CKZSEFSPKWEWQI-IJBPVIJFSA-N 348.534 5.660 0 40 EKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc[nH]2)N3)C1 4554575 RJOQLVBDKJFCIO-BZNIZROVSA-N 343.496 5.046 0 40 EKAB C(=C/c1ccccc1)\Cn1c(/C=C/c2ccccc2)nc2ccccc21 4955736 FEHAXRBZQGMLEQ-CFYUHYMKSA-N 336.438 5.920 0 40 EKAB CC(C)c1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 5672920 DVTDVZLSCBLNEY-UHFFFAOYSA-N 343.426 5.891 0 40 EKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CCC2 5897744 XWSGVLPMCPZSSJ-OWBHPGMISA-N 349.817 5.463 0 40 EKAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1 6153084 SMNJEUSSFYMBQF-UHFFFAOYSA-N 346.352 5.148 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 6941108 BSFARPUALJAXSC-GFCCVEGCSA-N 347.842 5.123 0 40 EKAB Fc1ccc(COc2cccc(CNC3CCCCCCC3)c2)cc1 7523342 BBNHWQLSLJKTDY-UHFFFAOYSA-N 341.470 5.607 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8041472 YORMLQYTRYIAJI-KRWDZBQOSA-N 331.843 5.007 0 40 EKAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13774724 LYOKAXBKHWTGTF-OAHLLOKOSA-N 326.509 5.340 0 40 EKAB Clc1ccccc1/C=C1/c2ccccc2-c2nc3ccccc3nc21 17004759 XTAKIMMCGNQOJN-LGMDPLHJSA-N 340.813 5.853 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 19931567 ZMJAUILAEYBNHI-CXAGYDPISA-N 333.884 5.088 0 40 EKAB Cc1ccc(-c2nc3ccccc3c(=O)n2[C@H]2CCCC[C@H]2C)cc1 20799273 IAOALHBKCGJCNF-UZLBHIALSA-N 332.447 5.123 0 40 EKAB COc1cc(C=O)c(Cl)cc1OCc1ccc(Cl)c(Cl)c1 95094972 UFTZNXMGJDWBTB-UHFFFAOYSA-N 345.609 5.047 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222968877 GNJIJEAJNLBRBO-QGZVFWFLSA-N 343.492 5.212 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 223350246 WWJMLAFEEDQXLR-QZTJIDSGSA-N 339.479 5.072 0 40 EKAB CCCC[C@H](CC)CNC(=O)CSCc1ccc(Cl)cc1F 225117541 PQJFVERUARUFDW-ZDUSSCGKSA-N 345.911 5.045 0 40 EKAB Cc1cc(C)c(C(=O)NC(c2ccccc2)c2ccccc2)cc1C 225648201 XRMGPUIBXQYJKV-UHFFFAOYSA-N 329.443 5.131 0 40 EKAB CC(C)c1cc(C(C)C)c(C(=O)COc2ccccc2)c(C(C)C)c1 575243174 VAUPULGWJPXQQY-UHFFFAOYSA-N 338.491 6.319 0 40 EKAB Cc1ccc(SCCc2ccc3cc(-c4ccccc4)cn3c2)cc1 2190656 BIGREYKUQWYBHF-UHFFFAOYSA-N 343.495 6.250 0 40 EKAB CCCCn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 2440918 RTAOLQSALCCTFY-UHFFFAOYSA-N 336.826 5.100 0 40 EKAB Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 3136221 JKWVVRXLBAMQLY-UHFFFAOYSA-N 345.324 5.206 0 40 EKAB c1ccc(-c2nc(CSc3ncnc4sccc34)cs2)cc1 3271755 ADSONVZCCZPJEZ-UHFFFAOYSA-N 341.486 5.107 0 40 EKAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 4866112 SBDCBKYQISHTTC-UHFFFAOYSA-N 345.398 5.220 0 40 EKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(F)cc1 6028756 ODCVDLXRJQVDNB-NSHDSACASA-N 339.395 5.210 0 40 EKAB Cc1cccc(C)c1OCCOc1ccc2oc3ccccc3c2c1 6939050 WNVMCHZJSGDTSK-UHFFFAOYSA-N 332.399 5.661 0 40 EKAB CC(C)c1ccc(-c2nc(C(=O)N(C)C3CCCCC3)cs2)cc1 12858026 JCFXGYBSPAMEBS-UHFFFAOYSA-N 342.508 5.338 0 40 EKAB CC[C@@H]1CN(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2O1 13562938 SYTHZNGOPKMYDW-OAQYLSRUSA-N 346.474 5.025 0 40 EKAB CN(C)/C=C/C(=S)N(c1ccccc1)c1ccc2ccccc2c1 16163023 SOOAWLZAIIVXET-CCEZHUSRSA-N 332.472 5.381 0 40 EKAB O=C(c1ccc(Cl)s1)N1CCCc2cc(C(F)(F)F)ccc21 24468080 OOPBDACYPRXHTI-UHFFFAOYSA-N 345.773 5.013 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 40945041 VBWNSWHORGKRHE-IRXDYDNUSA-N 333.516 5.084 0 40 EKAB Clc1ccc2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1 57352934 JTEZRBKJQZHMBE-UHFFFAOYSA-N 336.203 5.488 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351803 RDDPPIUVUSYFEW-RTBURBONSA-N 345.870 5.073 0 40 EKAB C[C@H](c1ccccn1)N(C)C(=O)Nc1sc2ccccc2c1Cl 96406762 JENUBUMAYNDEGK-LLVKDONJSA-N 345.855 5.175 0 40 EKAB c1csc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccsc4)=NN32)c1 106922052 WRYCJOOXAGIEIG-MAUKXSAKSA-N 338.457 5.052 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)cc1 225743957 IPAGDOQQBLMRLQ-HXUWFJFHSA-N 335.488 5.180 0 40 EKAB CCCC[C@H]1CC[C@H]([C@H]2CO[C@H](c3ccc(F)c(F)c3)OC2)CC1 257198457 JXMAIPTTYWJVRY-ZFPDUZBHSA-N 338.438 5.623 0 40 EKAB Cc1ccc(Oc2ccccc2OCCN(C(C)C)C(C)C)cc1 585266236 SGIYWSDQQJFALQ-UHFFFAOYSA-N 327.468 5.285 0 40 EKAB Cc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccco2)cc1 179112 LRGCVWXWBJYEHM-QURGRASLSA-N 346.455 5.399 0 40 EKAB Fc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCC2)cc1 412142 WULDGGKXWNWSJS-UHFFFAOYSA-N 329.806 5.148 0 40 EKAB Cc1c(C(=O)c2ccc(Cl)c(Cl)c2)oc2ccc(Cl)cc12 1385004 ZOKBPCZUYALUIB-UHFFFAOYSA-N 339.605 5.932 0 40 EKAB O=C1CCSc2ccc(Cl)cc2N1Cc1ccccc1Cl 1392651 RLACGRKQMLDHHX-UHFFFAOYSA-N 338.259 5.022 0 40 EKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(F)cc1 1505408 ZMBXYNLOABXELB-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB Cc1csc(SCC(=O)c2ccc(-c3ccccc3)cc2)n1 3414001 IOLDHAQQUYTVGQ-UHFFFAOYSA-N 325.458 5.094 0 40 EKAB CCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(C)c(Cl)c1 4567908 ZPJNCCLZUYETRR-UZYVYHOESA-N 346.858 5.570 0 40 EKAB COc1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1 5576430 GAFXHSLZHZEPLJ-UHFFFAOYSA-N 342.442 5.420 0 40 EKAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 6343209 SATVNPHGZKVICR-INIZCTEOSA-N 349.861 5.349 0 40 EKAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H]1CC=CCC1 6880370 CBTDOTURJQXACS-MRXNPFEDSA-N 348.471 5.182 0 40 EKAB CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl 6958165 LXDDPHNGJORQNG-UHFFFAOYSA-N 330.642 5.658 0 40 EKAB CSc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 8049675 JCCIQZNCJYKNIW-UHFFFAOYSA-N 346.502 5.154 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 8382825 JRSSTMYBDHJCTB-UONOGXRCSA-N 331.843 5.260 0 40 EKAB O=C(Nc1cccc(Cl)c1)N[C@H](c1ccccc1)c1cccs1 12869091 OTTXHRXPQUWNKH-QGZVFWFLSA-N 342.851 5.313 0 40 EKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2ccccc2c1 12937625 UFEJFZCLPGKFRO-UHFFFAOYSA-N 342.398 5.066 0 40 EKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1 14399224 ROLNIIXTCKJSQE-ZDUSSCGKSA-N 331.843 5.044 0 40 EKAB Fc1cccc2c1SCc1c-2nc2ccccc2c1-c1ccccc1 15525597 JVJPRZDCZDPVPL-UHFFFAOYSA-N 343.426 6.314 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc2ccccc12 22510458 CXVDUWRBRPZUNS-OAQYLSRUSA-N 333.431 5.253 0 40 EKAB O=C(c1ccc(COc2cccc3ccccc23)o1)N1CCCCCC1 28227328 AGTPEEXWAFVWDN-UHFFFAOYSA-N 349.430 5.028 0 40 EKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccc2)cc1 30850104 BPFUATGRYSCWON-UHFFFAOYSA-N 335.834 5.279 0 40 EKAB O=C(Nc1nc2ccccc2s1)c1sccc1-c1ccccc1 32998207 DWFKTGCLRXFIBP-UHFFFAOYSA-N 336.441 5.277 0 40 EKAB Cc1ccc(C)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 43568733 YIBYIFNYHSPESP-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB CC(C)Sc1ncccc1[C@H]1CCCCN1Cc1ccccc1 72217568 KBZYNFXUHISPNY-LJQANCHMSA-N 326.509 5.309 0 40 EKAB CCCCO[Sn](Cl)(CCCC)CCCC 196002071 HMNBEAWAEJQTRZ-UHFFFAOYSA-M 341.511 5.084 0 40 EKAB CSc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1 199720024 DWINJHSBPYBPEO-UHFFFAOYSA-N 330.453 5.185 0 40 EKAB CC(C)c1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225046637 ICRMNHLNRSGBMB-NRFANRHFSA-N 334.415 5.038 0 40 EKAB Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1C 408768209 UWFORBQYANFKFR-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB Fc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 409192829 CDNXABDRHKOTMZ-UHFFFAOYSA-N 335.403 5.681 0 40 EKAB FC(F)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1857793803 YBJGUHDQMUYOIQ-UHFFFAOYSA-N 340.369 5.782 0 40 EKAB CO[C@](C)(OCCn1c2ccccc2c2ccccc21)c1ccccc1 33851 HEIRWBBXJSKKSH-HSZRJFAPSA-N 345.442 5.330 0 40 EKAB Cc1cc(Nc2cc(Cl)cc(Cl)c2)nc(-c2ccccc2O)n1 510460 AONOSYPBKFHAJJ-UHFFFAOYSA-N 346.217 5.208 0 40 EKAB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)c1C 575008 ZPRLASJOECZZKP-DEDYPNTBSA-N 342.442 5.204 0 40 EKAB CCc1cc2cc(C(=O)Nc3cccc4ccccc34)sc2s1 1105514 BGLZWSCQRBAEHV-UHFFFAOYSA-N 337.469 5.931 0 40 EKAB Clc1ccc(OCCCCSc2nc3ccccc3[nH]2)cc1 1926978 SZEJWLUZPKSQTC-UHFFFAOYSA-N 332.856 5.168 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccc(Cl)cc1 5369636 IQDPLIHISAQUOO-KBRIMQKVSA-N 340.916 5.436 0 40 EKAB O=C(N(C1CCCCC1)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 5725532 ATIIPEMQPLOOGW-UHFFFAOYSA-N 343.555 5.697 0 40 EKAB Cc1ccc(NC(=S)SCc2ccc(Cl)cc2)cc1Cl 6488188 GBTZJNFWUTVLQG-UHFFFAOYSA-N 342.316 5.932 0 40 EKAB CCCCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 6592967 LLHLQADQPHFMRI-XYOKQWHBSA-N 348.273 5.988 0 40 EKAB COc1ccc2nc(C)cc(Oc3ccc(Br)cc3)c2c1 6831699 SWKSGRKCHOLPFJ-UHFFFAOYSA-N 344.208 5.107 0 40 EKAB CC(C)c1ccc(NC(=S)N[C@@H]2CCSc3ccccc32)cc1 7143814 GXOIVYTYVAXQEO-QGZVFWFLSA-N 342.533 5.334 0 40 EKAB Cc1ccc(CNCc2ccc(-c3cccc(Cl)c3C)o2)cc1 7539349 QSBUODSSAWHSIN-UHFFFAOYSA-N 325.839 5.507 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc3nc(C)ccc23)cc1 8071911 CYWLJFVTKTYHOF-HNNXBMFYSA-N 348.446 5.074 0 40 EKAB O=C(Nc1ccccc1F)Nc1ccc(Cl)cc1C(F)(F)F 8428415 DQNKGJQMAGLLLA-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 14258358 LXAHGCTUBZVLIV-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(Cl)c2)cc1 17198492 CBPHZXXHABMIDO-SFHVURJKSA-N 331.868 5.242 0 40 EKAB O=C1c2ccccc2N[C@H](c2ccccc2)N1Cc1ccc(Cl)cc1 59498077 KKPNEQLUPYMXPZ-FQEVSTJZSA-N 348.833 5.107 0 40 EKAB Cc1nc(C)c(C[S@@](=O)[C@@H](C)c2ccc(Cl)cc2Cl)s1 78731003 GNIRQIWAWVAASC-LXGOIASLSA-N 348.320 5.077 0 40 EKAB CCc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 225792685 SQGWSBIHISGWSS-JMMZKRSASA-N 345.442 5.260 0 40 EKAB Cc1ccc(NCc2cccc(OCc3ccccc3F)c2)c(C)c1 409121922 VYQSDBMMXOBPLE-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 258329 YPNSNCAWLWDGAL-UHFFFAOYSA-N 332.186 5.506 0 40 EKAB COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1 1020901 IZSLOMAFSBIAQQ-UHFFFAOYSA-N 333.412 5.138 0 40 EKAB O=C(c1cc2ccccc2o1)N(Cc1ccccc1)c1ccccc1 1628986 MNNOTYOXUNXPPQ-UHFFFAOYSA-N 327.383 5.280 0 40 EKAB CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(-c2ccccc2)cc1 1670150 CGWADWORZKHRCQ-ZEQRLZLVSA-N 330.471 6.747 0 40 EKAB CCCCCCNc1nc(SC)nc2sc3c(c12)CCCC3 2238295 VLYWOAVWDZXLPB-UHFFFAOYSA-N 335.542 5.284 0 40 EKAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1F 2636420 WXTADHGPJQPOFI-UHFFFAOYSA-N 348.201 5.002 0 40 EKAB Clc1ccc(Sc2nc3ccccc3cc2-c2ccccc2)cc1 3049408 AQNFUEADSPPSBR-UHFFFAOYSA-N 347.870 6.706 0 40 EKAB Fc1ccc(-c2csc3ncnc(NC4CCCCC4)c23)cc1 3141951 IQOALDXYUXTXNS-UHFFFAOYSA-N 327.428 5.242 0 40 EKAB CSc1ccc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc1 5222893 TVYDNGPEVKDIOF-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB Cc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 7094311 OYBOYLWTLKIIDM-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB O=C(c1cccc(C(F)(F)F)c1)N(c1ccccn1)C1CCCCC1 12583368 AMPHQOVTIKCSJH-UHFFFAOYSA-N 348.368 5.080 0 40 EKAB Cc1ccccc1/C=C/CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 13532660 FJFLDQXXCJUUBR-XECBNOGISA-N 335.491 5.014 0 40 EKAB in-vivo Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 14258620 URHWFIOQJAYUIZ-UHFFFAOYSA-N 342.870 5.137 0 40 EKAB Clc1ccc(COc2ccc(CNCc3cccs3)cc2)cc1 16430643 NIRSUVJBPWWTGI-UHFFFAOYSA-N 343.879 5.270 0 40 EKAB Clc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1Cl 31760116 DKDDFDFNMNNABI-UHFFFAOYSA-N 344.241 5.499 0 40 EKAB C[C@@H](Sc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 31903421 DEAZATVJUMCYBT-QGZVFWFLSA-N 344.483 5.938 0 40 EKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1ccccc1F 32845915 RAYIVWNAFVSCDP-OAQYLSRUSA-N 345.373 5.091 0 40 EKAB Cc1cccc(/C=C(/C(=O)N(C)Cc2ccccc2)c2cccs2)c1 32906696 RWYPPFDIEUMAHX-HMMYKYKNSA-N 347.483 5.256 0 40 EKAB OC1=Nc2ccsc2[C@H](c2ccc(OC3CCCC3)cc2)SC1 71282349 ATNFGWNUHANXAV-KRWDZBQOSA-N 345.489 5.494 0 40 EKAB CCC(=O)c1cccc(NC(=O)c2oc3c(C)cc(C)cc3c2C)c1 82087354 MJTMCIIVDBEMBQ-UHFFFAOYSA-N 335.403 5.203 0 40 EKAB CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cccc(F)c1)n2C 96037341 LHASQRVGBBRQJN-UHFFFAOYSA-N 349.409 5.105 0 40 EKAB CC[C@@H](NC(=O)COc1ccccc1C(C)C)c1ccc(C)c(C)c1 222813163 NLHZRFLXTGDFGP-HXUWFJFHSA-N 339.479 5.073 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)c(C)c1 222905417 LOBVTAGLPQQVQN-HXUWFJFHSA-N 339.479 5.397 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1C 222949525 PXVCFTAKZMZDOQ-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB Cc1ccccc1CSCC(=O)Nc1ccc2c3c(cccc13)CC2 223398697 UHKJKQFKJUBFFU-UHFFFAOYSA-N 347.483 5.119 0 40 EKAB CC(C)C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 225306543 PFYJWNIYFRZFGM-LJQANCHMSA-N 329.871 5.176 0 40 EKAB O[C@@H](c1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1Cl 226296817 ODWWCTQTTOUQHS-IBGZPJMESA-N 343.209 5.975 0 40 EKAB Nc1ccccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 226348972 OQVVUFRQPOIXGG-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB CN(C)c1ccc([C@@H]2C=C(c3ccccc3)Oc3ccccc32)cc1 1686410 KNYFYRPVGUJRFK-NRFANRHFSA-N 327.427 5.318 0 40 EKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(O)cc3)c2c1 1892403 VPBYXBDKPMOSQD-DARPEHSRSA-N 341.410 5.600 0 40 EKAB CC(=O)N(CC(C)(C)C=C=C(C)CCC=C(C)C)c1ccccc1 2132702 XIPIKRVNQMCZEH-UHFFFAOYSA-N 325.496 5.914 0 40 EKAB biogenic C[C@@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccccc1 2183355 PQMKOUANRYJWLA-MRXNPFEDSA-N 337.507 5.773 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1F 3265478 DLBKMPDUZSHJGQ-UHFFFAOYSA-N 344.238 5.253 0 40 EKAB O=C(Nc1ccon1)c1sc2cc(Cl)cc(Cl)c2c1Cl 3310424 DNSFIRIRRQEZRZ-UHFFFAOYSA-N 347.610 5.102 0 40 EKAB CCC(=O)c1ccc(OC(=O)c2ccc(Oc3ccccc3)cc2)cc1 3603398 BGKUIJOZZPHMKV-UHFFFAOYSA-N 346.382 5.291 0 40 EKAB FC(F)(F)c1cccc(Oc2ccc(C(F)(F)F)c(Cl)n2)c1 4105335 VVAVDGSGTQVMPF-UHFFFAOYSA-N 341.638 5.565 0 40 EKAB CC(C)(C)c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1 4193290 YCTXJANTIZIOOG-UHFFFAOYSA-N 326.827 5.278 0 40 EKAB CC1=NN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C)(C)C1 4350394 GGXNPYQPPQKZOF-UHFFFAOYSA-N 330.516 5.347 0 40 EKAB COc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 5526969 HNTZKLXOWVQDKC-UHFFFAOYSA-N 347.414 5.059 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1C(F)(F)F 7668946 ABEAFCNVFXDQEN-UHFFFAOYSA-N 349.396 6.205 0 40 EKAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 7790391 DTTQFZBCJVSMRQ-OAHLLOKOSA-N 343.492 5.246 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)c1 13931232 KOIAMQJOQISCNS-CQSZACIVSA-N 332.900 5.313 0 40 EKAB N=C(c1cccs1)c1ccccc1Cc1ccc2ccccc2c1 17379651 GXUNYHXIDSPYML-UHFFFAOYSA-N 327.452 5.908 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 20111834 YWTITNRXOCARQG-HXUWFJFHSA-N 347.458 5.507 0 40 EKAB CC1(C)C[C@H](NCCC2(c3ccc(Cl)cc3)CCCC2)CCO1 32071842 VMTXKFXPEAABJT-GOSISDBHSA-N 335.919 5.089 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1C 59351247 JHBICFBJBOYAIG-ZWKOTPCHSA-N 347.458 5.101 0 40 EKAB Clc1ccc(Cl)c(OCc2ccc(Br)cc2)c1 70131384 QEGKKBALYHBYBV-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB Clc1ccc(C=C(Br)Br)c(Cl)c1 95725482 IFKQDGXARVJYNZ-UHFFFAOYSA-N 330.834 5.082 0 40 EKAB CC[C@H](NC(=O)COc1ccccc1C(C)C)c1ccc(C)c(C)c1 222813237 NLHZRFLXTGDFGP-FQEVSTJZSA-N 339.479 5.073 0 40 EKAB Cc1cc(C)cc(NC(=O)c2cc3cc4ccccc4nc3s2)c1 223128115 ATUJABAKZFVAQN-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 225718048 WRZCJPRIEHYJPR-ZWKOTPCHSA-N 339.479 5.072 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1 225762968 ODCCKNGATVBYGD-LJQANCHMSA-N 326.509 5.296 0 40 EKAB Cc1ccc(C)c(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225806034 NTWCVZCMULGVKY-UHFFFAOYSA-N 340.536 5.346 0 40 EKAB CC(C)(C)c1ccc([C@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 226296412 WZWYXGBIABXLAY-QHCPKHFHSA-N 328.455 5.637 0 40 EKAB Cc1nnc(SCc2ccc3ccccc3c2)n1-c1ccc(F)cc1 409090030 PWORILNMSOIGDN-UHFFFAOYSA-N 349.434 5.160 0 40 EKAB COc1ccc(C2=Nc3ccccc3N[C@@H](c3ccccc3)C2)cc1 207395 DXOPUEXBBRFWKJ-OAQYLSRUSA-N 328.415 5.373 0 40 EKAB c1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 338832 NQAXYBQXUYYVSO-UHFFFAOYSA-N 336.398 5.287 0 40 EKAB CC(=O)c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl 346831 KPADQCLTCJIDEU-UHFFFAOYSA-N 331.651 6.001 0 40 EKAB CCCCC[C@@H](CN(C)C)C(=O)C[C@@H](SCC)c1ccccc1 1573425 OEIWDVKEOZSUBI-AZUAARDMSA-N 335.557 5.198 0 40 EKAB Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1 2566941 CRCBRZBVCDKPGA-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic CC(C)(C)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2618453 MQXOFOUHRPPOND-UHFFFAOYSA-N 342.489 5.066 0 40 EKAB CCc1cccc(CC)c1NC(=O)COc1cc(C)ccc1C(C)C 5658523 YTQPTSANNFEPBH-UHFFFAOYSA-N 339.479 5.261 0 40 EKAB CCCCC(=O)Nc1c(CCC)c(CCCC)nc2ccccc12 5764850 IUXMOSBDHXXSMI-UHFFFAOYSA-N 326.484 5.659 0 40 EKAB biogenic C[C@@]12CC3CC(NCc4c(Cl)cccc4Cl)(C1)C[C@](C)(C3)C2 8534498 WUTIHQJDZZYXJW-DFDFAMMDSA-N 338.322 5.832 0 40 EKAB Cc1cccnc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 9550012 ZHJAJADZMPMOMK-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 10366385 YWVHTFYRQQNTGL-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 13613540 UQRQGMRYBZLQNN-UHFFFAOYSA-N 347.483 5.564 0 40 EKAB O=C(Nc1ccccc1F)N1c2ccccc2Sc2ccccc21 13717120 CZFSAVQFOYKZNB-UHFFFAOYSA-N 336.391 5.661 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)c1 13931209 SJLJOAUADQAESO-LBPRGKRZSA-N 336.863 5.144 0 40 EKAB CC[C@H](C)Oc1ccc(NC[C@H](C)Oc2cc(C)ccc2C)cc1 19737528 QXSFDLSXXFLQRL-ROUUACIJSA-N 327.468 5.360 0 40 EKAB CC[C@H](C)c1ccccc1OCCNc1cc(Cl)ccc1Cl 19738053 CYZCPHHJIAATOT-ZDUSSCGKSA-N 338.278 5.998 0 40 EKAB CCCCCCC1CCC(c2nc(Cc3ccccc3)no2)CC1 20058096 ODMCBBYKAWSIFF-UHFFFAOYSA-N 326.484 5.905 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1C 20490090 ZZYNMMWDVCFWAQ-KRWDZBQOSA-N 333.884 5.466 0 40 EKAB CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1 20490681 HXAXHHOFUILFGC-JOCHJYFZSA-N 345.442 5.243 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3)o2)cc1 29645549 QNFNGXJPIKRJIK-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB C[C@H](Sc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 31903422 DEAZATVJUMCYBT-KRWDZBQOSA-N 344.483 5.938 0 40 EKAB C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCC2 39978527 WYYVNBXUQFZPBH-LBPRGKRZSA-N 348.273 5.363 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 44901392 AADASXBAPVPGEK-INIZCTEOSA-N 325.905 5.050 0 40 EKAB Cc1nnc([C@H](C)Nc2cccc(CSC3CCCCC3)c2)o1 96408706 TWZNFPYOLYQSLR-ZDUSSCGKSA-N 331.485 5.117 0 40 EKAB c1ccc(-c2ccc(Nc3cccc4c3oc3ccccc34)cc2)cc1 208678067 GYQUYJZZRACXQE-UHFFFAOYSA-N 335.406 6.997 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NC1CC1 256089491 GLGAUBPACOBAMV-LIJGZOPESA-N 343.555 6.411 0 40 EKAB CCc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1 409119985 RROJIIIDNTVBJR-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB O=C(c1cccc(Cl)c1)N1c2ccccc2CCc2ccccc21 173796 HUJVOAFQLBTOGP-UHFFFAOYSA-N 333.818 5.417 0 40 EKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)s1 483740 MYZZPMAPQZMQLS-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)c1 575010 WDRCESVVJLYHMM-FYJGNVAPSA-N 342.442 5.204 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1C 1506364 HFDUSMDIOHAICO-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Cc1ccc2oc(-c3cc(=O)oc4ccc(C(C)(C)C)cc34)c(C)c2c1 2096776 RDIRVOOEFJSPHV-UHFFFAOYSA-N 346.426 6.121 0 40 EKAB biogenic Cc1ccc(Nc2nc(C)c(Cl)c(Nc3ccc(C)cc3)n2)cc1 2756217 QMEIASXCECPWOR-UHFFFAOYSA-N 338.842 5.542 0 40 EKAB COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)c(OC)c1 3328121 CNRXRWBEUGSWJX-UHFFFAOYSA-N 346.839 5.224 0 40 EKAB CC(=O)Oc1cc(C)ccc1[C@]1(C)CC(C)(C)c2ccc(C)cc2O1 3848536 WABRPPANVAWZOF-QFIPXVFZSA-N 338.447 5.204 0 40 EKAB biogenic Cc1cc(Cl)cc2sc(NC(=O)c3ccc(Cl)cc3)nc12 4330778 PUVGHLJWIGOROU-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB Cc1ccc([C@H](C)c2cc(C)c([C@@H](C)c3ccc(C)nc3)cc2C)cn1 4713631 MDBJKYLUAVXIGT-PMACEKPBSA-N 344.502 6.014 0 40 EKAB C[C@@H](NCc1ccccc1OCc1ccccc1F)c1ccccc1 8535354 DXJSZAXWPADJGU-QGZVFWFLSA-N 335.422 5.256 0 40 EKAB COc1ccc(-c2nc3ccccc3n2CCC2CCCCC2)cc1 8860198 BSPGOCGPZLVSJZ-UHFFFAOYSA-N 334.463 5.682 0 40 EKAB CC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 13006597 RRUVMFQVMVQABK-UHFFFAOYSA-N 329.808 5.010 0 40 EKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 13689068 YWHHYEVBTWPKIE-INIZCTEOSA-N 341.410 5.399 0 40 EKAB Cc1cc2occ(CC(=O)Nc3ccc4ccccc4c3)c2cc1C 15319817 OKQIXLNOWOANNB-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 17198495 RPRCHNYNMNIOAN-GOSISDBHSA-N 331.868 5.242 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc3ccccc3c2)c1 24977242 DQCHYJVQDCJZEZ-ROUUACIJSA-N 346.474 5.134 0 40 EKAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)c2ccccc12 225942783 HFYSGCDCCFWOHJ-UHFFFAOYSA-N 347.458 5.364 0 40 EKAB CC(C)(C)OC(=O)n1cc(C(F)F)c2ccc(Br)cc21 1504206448 DXVCCTJXMNLPCC-UHFFFAOYSA-N 346.171 5.125 0 40 EKAB Cc1cc(C)c(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)c(C)c1 269538 HWVCMDHIJDKETE-UHFFFAOYSA-N 337.250 5.183 0 40 EKAB c1ccc(-c2nc(Nc3ccccn3)sc2-c2ccccc2)cc1 983747 AUVARCGUKWHZTC-UHFFFAOYSA-N 329.428 5.616 0 40 EKAB CC(C)=C[C@@H](C(=O)c1ccccc1)[C@H](CC(=O)c1ccccc1)C(C)C 2099912 XVTZCXVAUIOBQU-FGZHOGPDSA-N 348.486 5.997 0 40 EKAB biogenic Fc1ccccc1-c1nnc(SCc2cccc3ccccc23)o1 4987064 KQKUYRKYKDVHEC-UHFFFAOYSA-N 336.391 5.321 0 40 EKAB CC(C)[C@H](C(=O)NC1c2ccccc2-c2ccccc21)c1ccccc1 4994444 CJKNPZHEGPMBEY-QFIPXVFZSA-N 341.454 5.312 0 40 EKAB aggregator CCCC[C@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 5591126 ATTPBKUJDOVWOL-SFHVURJKSA-N 325.452 5.421 0 40 EKAB CC(C)(C)c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 6826586 SPKHIAAIPUXHGV-UHFFFAOYSA-N 347.245 6.008 0 40 EKAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(F)(F)F)cc1 7990850 FCQCBBOPFAXQQC-UHFFFAOYSA-N 343.348 5.131 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl 9064399 JNCWSNUKSLQBLY-HNNXBMFYSA-N 342.870 5.280 0 40 EKAB CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C 14974952 ZSEJGVQTBLJRCQ-UHFFFAOYSA-N 327.468 5.983 0 40 EKAB in-vivo CCN1[C@H]2C=CC=C[C@@H]2c2ccccc2[C@@H]1C(Cl)(Cl)Cl 19815657 JVBJKGXRMGJROW-VHDGCEQUSA-N 328.670 5.012 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 20451532 JBFQEBIDSFRFPI-SFHVURJKSA-N 345.442 5.065 0 40 EKAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 32842030 WBTNFEUCQHGQCV-GFCCVEGCSA-N 345.851 5.495 0 40 EKAB CCCCCOC(=O)c1ccc(Nc2cc(C)c3ccccc3n2)cc1 41127729 LIWUPNNBBGLBHX-UHFFFAOYSA-N 348.446 5.634 0 40 EKAB FC(F)(F)c1cnc(Oc2ccc(Cl)cc2Cl)c(Cl)c1 71873551 QSLUHKLJXNZKCB-UHFFFAOYSA-N 342.531 5.853 0 40 EKAB Clc1ccc(COc2cccc(/C=N/Nc3ccccc3)c2)cc1 82375277 HBVIDUOZCIVYBG-HYARGMPZSA-N 336.822 5.365 0 40 EKAB CN(C1CC1)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 91368875 OCQGELLSMSUPLW-YWZLYKJASA-N 346.301 6.054 0 40 EKAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 196465406 ILXVITLQBAKEDS-GFCCVEGCSA-N 348.273 5.363 0 40 EKAB O=C(CCc1cccc2ccccc12)NCc1ccc2ccccc2c1 222814328 ZWTWUJDJDZDZDF-UHFFFAOYSA-N 339.438 5.242 0 40 EKAB Cc1cccc([C@@H](NC(=S)Nc2ccccc2)c2ccccc2)c1 225697392 RAZHHQJKVWBHHW-FQEVSTJZSA-N 332.472 5.071 0 40 EKAB Cc1ccccc1NCc1ccccc1OCc1cccc(Cl)c1 409119886 QWZFBCNDEQXYPA-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1cc(C)c(C[S@](=O)C(c2ccccc2)c2ccccc2)c(C)c1 608989863 KCTSBGGWSHYMNY-VWLOTQADSA-N 348.511 5.650 0 40 EKAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCc2ccccc21 194976 TTZIPCRUXMRYBK-NRFANRHFSA-N 345.467 5.109 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1C 570243 XSBZREXLFNZLTP-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CSc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 1105580 VMWKRLQDEUWYKO-SAPNQHFASA-N 335.428 5.181 0 40 EKAB Cc1c(-c2cc(=O)oc3cc4c(cc23)CCCC4)oc2ccc(F)cc12 2107379 RKSWLXSKIPMIFE-UHFFFAOYSA-N 348.373 5.533 0 40 EKAB biogenic Cc1ccc(-c2cc(-c3ccccc3)[s+]c3ccc(C)cc23)cc1 4726304 XRFYYZPOSATADW-UHFFFAOYSA-N 327.472 7.133 0 40 EKAB Cc1cccc(NC(=O)[C@H]2Cc3ccccc3N(C)c3ccccc32)c1 5337774 FZXALEYJYRXXQX-FQEVSTJZSA-N 342.442 5.041 0 40 EKAB Cc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1C 6339791 QAKRSNPOPOYRFC-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1ccc2nc(-c3cnc4ccccc4n3)cc(-c3ccccc3)c2c1 16348258 ALUVSLYFMPSCHJ-UHFFFAOYSA-N 347.421 5.820 0 40 EKAB Clc1ccccc1COc1ccccc1CNC1CCCCC1 16449621 CCSDZLJIRBMSSU-UHFFFAOYSA-N 329.871 5.341 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(C)cc1 20495339 UYZIJRSANRVBAC-VGOFRKELSA-N 347.458 5.183 0 40 EKAB Cc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)c1 20672069 FCRHDVUAWTYFFP-UHFFFAOYSA-N 345.446 5.079 0 40 EKAB CSc1cccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 71761356 WIJUBUGOORBJQH-UHFFFAOYSA-N 343.304 5.524 0 40 EKAB Cc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1 138164251 PHKJRAAXUGLWNF-UHFFFAOYSA-N 338.838 5.079 0 40 EKAB CCN(Cc1cccc(Br)c1)c1cc(F)ccc1Cl 585090209 MRIXRBZVTCGSJA-UHFFFAOYSA-N 342.639 5.268 0 40 EKAB Cc1ccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)c(C)c1 165898 XNDMBUSFCTVCKP-UHFFFAOYSA-N 335.259 5.796 0 40 EKAB c1csc(CSc2nnc(SCc3cccs3)s2)c1 1665383 IFKHXRWRNLGRST-UHFFFAOYSA-N 342.561 5.246 0 40 EKAB Clc1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1 1773221 PGYHIKJAINHVRK-UHFFFAOYSA-N 331.806 5.694 0 40 EKAB Cc1cc(C)c(NC(=O)C(c2ccccc2)c2ccccc2)c(Cl)c1 2660113 WLXIVWJQMNQGLR-UHFFFAOYSA-N 349.861 5.727 0 40 EKAB O=C(/C=C/c1ccccc1Cl)OCc1cccc(C(F)(F)F)c1 3363046 XTCNQHMDALCVIF-CMDGGOBGSA-N 340.728 5.115 0 40 EKAB CCC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C 3814408 QFFCYTLOTYIJMR-XMGTWHOFSA-N 326.480 5.178 0 40 EKAB in-man c1ccc([C@H]2[C@H]3CCCC[C@]3(N3CCCC3)ON2c2ccccc2)cc1 4671109 SQSXAQLOKCEYPF-VJBWXMMDSA-N 348.490 5.162 0 40 EKAB FC(F)(F)c1ccc(Cl)c(N/N=C/c2c[nH]c3ccccc23)c1 4922841 MFZLLAGQAVDMDR-LSFURLLWSA-N 337.732 5.286 0 40 EKAB S=C(N=S(c1ccccc1)c1ccccc1)Nc1ccccc1 5390980 LQUJTUAYMNLPOS-UHFFFAOYSA-N 336.485 5.304 0 40 EKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 5681838 MALWKLAUKZRUQC-UHFFFAOYSA-N 349.861 5.292 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 5951252 FLOCTPYBRMJYON-UHFFFAOYSA-N 345.870 5.860 0 40 EKAB CCCCn1c(-c2ccc(Br)cc2)nc2ccccc21 6752636 RRUUGODGUBCZPC-UHFFFAOYSA-N 329.241 5.266 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(OC)cc1 8085574 XZVYLWYXEMNNHX-IBGZPJMESA-N 342.508 5.256 0 40 EKAB O=C(CC(=O)c1ccccc1)C[C@H](Nc1ccccc1)c1ccccc1 8627754 AXZQDTZWPCEZSU-QFIPXVFZSA-N 343.426 5.072 0 40 EKAB CCN(C(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 8687854 OXVMSYAXFUWLOT-UHFFFAOYSA-N 348.471 5.702 0 40 EKAB C[C@H](NCc1cccc(Cl)c1Cl)c1ccc(-n2ccnc2)cc1 26307419 IIDJVTOECIROSS-ZDUSSCGKSA-N 346.261 5.030 0 40 EKAB CCCC[C@H](CC)CNC(=O)CCSc1ccc(Cl)cc1 33655640 DWSWPCYBNFTLSE-AWEZNQCLSA-N 327.921 5.155 0 40 EKAB CN(Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCc2ccccc21 48343927 YBRBZUVJUQEVBP-HXUWFJFHSA-N 338.838 5.114 0 40 EKAB SC1=N[C@H](c2cccs2)C2=C(N1)/C(=C\c1cccs1)CCC2 53598546 DFVOJYCFQPZRSP-SNGWPZLWSA-N 344.530 5.261 0 40 EKAB COc1ccc(Cl)cc1NC(=O)/C=C/c1cc2ccc(C)cc2o1 67339816 SIKNLLLNAZBDMA-SOFGYWHQSA-N 341.794 5.055 0 40 EKAB CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c4cc(C)ccc4n(C)c23)O1 71404306 YMQADICNUQAIOQ-DEOSSOPVSA-N 345.486 6.551 0 40 EKAB biogenic,in-vitro CC(C)c1cc(Br)c2oc(Cc3ccccc3)nc2c1 73638773 PJCKEKGQISYYFK-UHFFFAOYSA-N 330.225 5.305 0 40 EKAB S=C(NCc1cccs1)Nc1ccc2c(c1)oc1ccccc12 84594612 LPROTVKFRKVPIF-UHFFFAOYSA-N 338.457 5.134 0 40 EKAB Cc1cc([C@@H](C)N[C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 95421264 ZOZDPQHMZLIPPJ-CHWSQXEVSA-N 341.480 5.135 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2cc(C)c(C)cc2C)c2ccccc2)cc1 225646998 POKZONWADGQEKB-QHCPKHFHSA-N 343.470 5.440 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3ccc(C)cc3C)CCCC2)c1 225841565 OPLVCFVYWWQGJG-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(C(F)F)cc1 408541354 ANIDWZZDYVMTHB-UHFFFAOYSA-N 343.398 5.508 0 40 EKAB Cc1cc(C)c2nc(SCC(=O)c3ccc(F)cc3)c(C)cc2c1 411907 RTLZYNLICAAJRE-UHFFFAOYSA-N 339.435 5.274 0 40 EKAB S=c1nc(-c2ccccc2Cl)[nH]c2sc3c(c12)CCCC3 1301712 VTIVLTHCBOCWLU-UHFFFAOYSA-N 332.881 5.553 0 40 EKAB Cc1ccc2c(c1)-c1nc(SCc3ccccc3)ncc1CS2 1403602 FXYFDPWIYYKJDQ-UHFFFAOYSA-N 336.485 5.350 0 40 EKAB c1ccc(NN(Cc2ccc3ccccc3n2)c2ccccc2)cc1 1723163 BQRJMSMMOOFKKT-UHFFFAOYSA-N 325.415 5.269 0 40 EKAB O=C(CCc1ccc(Br)cc1)c1ccc(F)c(Cl)c1 2516773 KNYOOPKJBRMKTP-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB Cc1ccc(C)c(SCc2nnc(-c3ccc(Cl)cc3)o2)c1 2646382 MIUADGBNCDEVFB-UHFFFAOYSA-N 330.840 5.299 0 40 EKAB Cc1cc(F)ccc1NC(=O)CSc1ccc2ccccc2c1 3431165 OHSPDBBCVMPCLP-UHFFFAOYSA-N 325.408 5.018 0 40 EKAB COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 4187204 IIWCGGYOWGNBJS-JOCHJYFZSA-N 328.415 5.051 0 40 EKAB Fc1ccc(Cc2cn3cc(-c4ccc(Cl)cc4)nc3s2)cc1 5020443 JVKOGYJKMCEJEQ-UHFFFAOYSA-N 342.826 5.446 0 40 EKAB CC(C)(C)c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 5481581 PLYLHPSTHBEYIX-UHFFFAOYSA-N 342.826 5.267 0 40 EKAB Cc1cc(C)cc(-c2cc3ccccc3cc2C2=NC(C)(C)CO2)c1 6202549 DXRKFCLWCYUHDI-UHFFFAOYSA-N 329.443 5.679 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1OC 7977859 FFRCWUKNKOZLCM-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB O=C(C1CC1)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 7985811 AFYIPWOORAOSDR-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB Fc1ccccc1-c1n[nH]c(SCc2cccc3ccccc23)n1 12690469 RIIJZWMXUYDPQD-UHFFFAOYSA-N 335.407 5.056 0 40 EKAB CC(C)c1cccc2cc3c(nc12)O[C@H](C)CN(Cc1ccccc1)C3 13563854 YDGGXJDVAUCGOL-QGZVFWFLSA-N 346.474 5.141 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20454197 WPZJNOGFINWBTD-KRWDZBQOSA-N 339.479 5.143 0 40 EKAB Cc1nc2c(cc(Oc3ncnc4ccccc34)c3ccsc32)s1 25522970 NSFBAAXEWPVTQT-UHFFFAOYSA-N 349.440 5.555 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]21C 43735912 OMUMQXPIWUEEEG-DEHHUPFJSA-N 330.556 6.881 0 40 EKAB Cc1cc(-c2nc3ccccc3o2)ccc1NCc1ccc(Cl)cc1 45951664 GSSZZDWTEUXQSA-UHFFFAOYSA-N 348.833 6.069 0 40 EKAB Cc1cccc(Nc2nc(-c3cccc(Br)c3)cs2)n1 67321969 SOVRQXWTWCEVOJ-UHFFFAOYSA-N 346.253 5.020 0 40 EKAB Cc1cc(NC(=O)Nc2ccc(Sc3ccccc3)cc2C)no1 84093283 YNEQGTNPBYDKFD-UHFFFAOYSA-N 339.420 5.087 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 223390484 MPPISEKHCDFDMY-KGLIPLIRSA-N 327.921 5.153 0 40 EKAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 224300121 CQOZBFYTKCYZCO-JOCHJYFZSA-N 329.443 5.131 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1C 225707866 QUSOZWKIIFYMRI-MRXNPFEDSA-N 342.508 5.138 0 40 EKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)cc1 225741346 YEUWELSJSOKNEH-UHFFFAOYSA-N 349.515 5.281 0 40 EKAB Cc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225840609 WYANZMPYVCHNPM-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB CCN(CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21 1135 DBOUGBAQLIXZLV-UHFFFAOYSA-N 346.927 5.675 0 40 EKAB in-man Cc1ccccc1C(=O)Oc1ccc(Sc2ccc(O)cc2)cc1 383753 QBSQUMNFLQGRAU-UHFFFAOYSA-N 336.412 5.071 0 40 EKAB Cc1sc(NC(=O)c2cccc3ccccc23)nc1-c1ccccc1 567695 VIHGMISIAPLHAL-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1cccc(C)c1NC(=O)OCCSc1ccc(Cl)cc1 1754051 JBRSANHBUNSSTP-UHFFFAOYSA-N 335.856 5.298 0 40 EKAB Cc1c(C(=O)c2ccc(OC(F)F)cc2)oc2ccc(Cl)cc12 3291946 GKTYFZZXJIOTBL-UHFFFAOYSA-N 336.721 5.227 0 40 EKAB CCOc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1 3503969 RZKUWORILOCWRV-GFCCVEGCSA-N 343.473 5.059 0 40 EKAB Cc1c(Br)c(-c2ccc(Cl)cc2)nc2ccccc12 5688971 DXVTXSBYHJMMDN-UHFFFAOYSA-N 332.628 5.626 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N1[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 5895553 YSCXRXOBOHVHEX-TVFCKZIOSA-N 332.875 5.305 0 40 EKAB c1ccc(-c2cc3c(SC[C@H]4CCCCO4)ncnc3s2)cc1 6114504 IOWSXQMBEHZRFZ-CQSZACIVSA-N 342.489 5.020 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)cc2)N3)C1 6934135 DKOGJQONIVXKGG-HWPZZCPQSA-N 346.883 5.345 0 40 EKAB Clc1ccc(Nc2nnc(-c3cccc(Cl)c3Cl)[nH]2)cc1 8903531 KRSAYZOUIOOVQE-UHFFFAOYSA-N 339.613 5.176 0 40 EKAB CC(C)CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 12690978 DOLRJYUMALLQDS-OAHLLOKOSA-N 329.415 5.173 0 40 EKAB CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(Cl)cc1 13563213 QUVSJMSSMNSCDP-ZZEZOPTASA-N 328.868 5.431 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 13797681 KVZQCHSZTSRTII-UHFFFAOYSA-N 334.444 5.596 0 40 EKAB C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 36874446 MNMKKOSQRNVYRP-ZDUSSCGKSA-N 348.427 5.047 0 40 EKAB Clc1cccc2c(-c3nc4c(Cl)ccc(Cl)c4[nH]3)cccc12 73634644 DHCQTLYRDWBFPJ-UHFFFAOYSA-N 347.632 6.343 0 40 EKAB Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc3ccccc23)s1 84205104 WLIWBAIOODADLU-SFHVURJKSA-N 335.472 5.057 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C(C)C)cc1 113951059 SHUCUZICNDHPMJ-IBGZPJMESA-N 325.452 5.223 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F 216297450 MYFCDNSBUHXVCP-AWEZNQCLSA-N 341.810 5.128 0 40 EKAB Cc1ccccc1[C@H](NC(=S)Nc1ccccc1Cl)C(C)C 225759860 ICQDASDXLXEJKE-QGZVFWFLSA-N 332.900 5.332 0 40 EKAB CC(C)c1ccc2oc(C(c3ccccc3)c3ccccc3)nc2c1 226236538 SVMVXACWRUGQSU-UHFFFAOYSA-N 327.427 6.131 0 40 EKAB Nc1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1 138096 PGYRTAKPHAXCFJ-UHFFFAOYSA-N 332.881 5.338 0 40 EKAB in-vitro Cc1ccc2nc(-c3ccc(OCC(C)C)cc3)c(C)c(C(=O)O)c2c1 1457181 KVLQLVGKANIYBV-UHFFFAOYSA-N 349.430 5.252 0 40 EKAB CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ccc(Cl)c(Cl)c2)C1(C)C 1597472 PPTXHTFTKUWKRN-DOMZBBRYSA-N 327.251 5.275 0 40 EKAB CCCCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 2145158 HJAAYIKUMFHBJA-UHFFFAOYSA-N 328.799 5.277 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1CCCc2ccccc21 3371415 IXBKCMZHBFDNFQ-MRXNPFEDSA-N 336.218 5.620 0 40 EKAB Cc1cccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)c1C 3446912 LAXZPZVEVXMBJI-UHFFFAOYSA-N 346.430 5.065 0 40 EKAB Cc1ccc(C2=C[C@@H](c3cccs3)N3C(=N2)Nc2ccccc23)cc1 5285901 YXJMGGROLUZPJZ-IBGZPJMESA-N 343.455 5.440 0 40 EKAB Cc1cc(C)c(NC(=O)CSCc2ccccc2Cl)c(C)c1 7094216 HZOUUHORUFOOEZ-UHFFFAOYSA-N 333.884 5.137 0 40 EKAB CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1OC 8289433 GVMXYMZTFYUWRR-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB Cc1cc(C)cc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)c1 11666861 LUHMQSKPPFNHGT-UHFFFAOYSA-N 337.394 5.274 0 40 EKAB CSc1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 15305580 UYMLNBIPAMWWFD-UHFFFAOYSA-N 349.455 5.240 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc2c1CCCC2 16238134 CHNMHZOPNJYHPU-UHFFFAOYSA-N 330.884 5.336 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 30857192 BOWOOCXAEVBSMF-SFHVURJKSA-N 345.870 5.261 0 40 EKAB FC(F)(F)Oc1cccc(NC(=S)Nc2cccc(Cl)c2)c1 71326271 IXABYGLCNHBRHH-UHFFFAOYSA-N 346.761 5.048 0 40 EKAB Fc1ccc(Cl)c(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 71761865 AVKSAOBPDVPNQL-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(C)cc1 78458964 AGJWNCPLYISJPZ-HXUWFJFHSA-N 339.479 5.073 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 80345015 GRDONPYYNWNOEV-HZPDHXFCSA-N 334.246 5.352 0 40 EKAB Fc1ccc(SCc2ccc(Br)cc2F)cc1Cl 95733300 XWFYVVMLJCKFJI-UHFFFAOYSA-N 349.627 5.673 0 40 EKAB CCCC[C@H](CC)CNC(=O)CSCc1cccc2ccccc12 224953680 LYDBRMWYKSDFDQ-KRWDZBQOSA-N 343.536 5.406 0 40 EKAB O=C(Cc1cccc2ccccc12)NC1(c2cccs2)CCCC1 390828570 SAOIAORZSQPGEX-UHFFFAOYSA-N 335.472 5.030 0 40 EKAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cc2ccccc2o1 390829705 GAKQCBIJFHNTCK-KRWDZBQOSA-N 339.441 5.075 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)c1C 409118874 OTCJPRHXPKZKQQ-UHFFFAOYSA-N 344.669 5.966 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)CCCN2 642249474 KWWIVFNMPCVPLS-UHFFFAOYSA-N 344.414 5.089 0 40 EKAB CC(C)[C@H]1CC2(CCN(C(C)C)CC2)CO[C@@H]1c1ccccc1Cl 1615152090 AMHHBGSFUFYOMG-UYAOXDASSA-N 349.946 5.564 0 40 EKAB Clc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1 258507 MQEYFLSPVJTXDY-UHFFFAOYSA-N 331.806 5.255 0 40 EKAB CCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 483854 IEUBLZIWGMZQMW-UHFFFAOYSA-N 338.838 5.037 0 40 EKAB CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(C(F)(F)F)cc1 1391274 MYFOMZHVRMSPII-UHFFFAOYSA-N 348.151 5.289 0 40 EKAB Clc1ccc(CSCSCc2ccc(Cl)cc2)cc1 1724595 ONOXSXZOHHQXFK-UHFFFAOYSA-N 329.317 6.118 0 40 EKAB CC1(C)C[C@@H]([C@@H](CCNCc2ccccc2)c2ccccc2)CCO1 4535299 YIMXBIWRYAWKDJ-VXKWHMMOSA-N 337.507 5.155 0 40 EKAB c1ccc(Oc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1 5390101 UONKWJVNEXUIRH-UHFFFAOYSA-N 338.366 5.835 0 40 EKAB CSc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 13038525 WCHAFHDVEOHTRZ-JLHYYAGUSA-N 341.457 5.034 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1 14258361 CLWKCDJOPHKSPF-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Clc1ccccc1COc1cccc(CNC2CCCCCC2)c1 16450043 MQQNMWXVFPOXRN-UHFFFAOYSA-N 343.898 5.731 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)N(Cc1cccs1)C1CC1 36392047 KVYAGXKIRLXPOT-UHFFFAOYSA-N 333.456 5.220 0 40 EKAB Cc1cc(NC(=O)Nc2cccc(Br)c2)ccc1Cl 51354386 XRGDKTJVHYRSDW-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)cc1C 222904833 PEIIHRYFYYRGLS-HXUWFJFHSA-N 339.479 5.397 0 40 EKAB COc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)cc1Cl 225536086 XGJYQCOSKUMOGJ-ZDUSSCGKSA-N 348.899 5.013 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225705060 OCEGTGIQEUMEPP-OAQYLSRUSA-N 349.515 5.405 0 40 EKAB CCOc1ccccc1NC(=S)N[C@H](CC)c1ccc(C)cc1C 225714087 XNXZTTLBCBSKRS-QGZVFWFLSA-N 342.508 5.140 0 40 EKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=C(CC[C@H]32)C(C)(C)CC4)C1 253594628 HZSWBFWXUWMYKA-HRRYEWICSA-N 330.512 5.661 0 40 EKAB CC[C@H](C)n1c(COc2ccc3ccccc3c2)nc2ccccc21 1470622 ISEXNCCQNRECQE-INIZCTEOSA-N 330.431 5.740 0 40 EKAB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(N2CCCC2)cc1 1705978 RIQJODRBNMKMRH-XZOQPEGZSA-N 337.507 5.983 0 40 EKAB CCCCc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 3277293 NIZTZVHCFOFILC-UHFFFAOYSA-N 338.476 5.210 0 40 EKAB CCc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 3414884 JWMBLBNDRSULIX-UHFFFAOYSA-N 348.471 5.850 0 40 EKAB CCOc1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 4838548 KSMNOBHBOWTVOH-UHFFFAOYSA-N 331.371 5.237 0 40 EKAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 5555562 UROSOSBGKQHGBI-UHFFFAOYSA-N 349.540 5.078 0 40 EKAB CCCn1c(NC(=O)c2cc(Cl)ccc2Cl)nc2ccccc21 6516422 YRPNADMENDEZKE-UHFFFAOYSA-N 348.233 5.005 0 40 EKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1 6662728 FUZADEROXKPHCH-UHFFFAOYSA-N 343.382 5.212 0 40 EKAB biogenic O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@@H]1CC=CCC1 7987870 MDKFAUNJUMPLEZ-CQSZACIVSA-N 334.444 5.258 0 40 EKAB Cc1ccc(COc2ccc(C(=S)NC3CCCCC3)cc2)cc1 9188057 UQZAFLJIWLHQDA-UHFFFAOYSA-N 339.504 5.172 0 40 EKAB Cc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 13028374 IMBOUWBOGBHBGG-WIYYLYMNSA-N 346.455 5.299 0 40 EKAB CCCCCn1c(Cc2cccc3ccccc23)nc2ccccc21 13810012 PMKCZDKGFUURFW-UHFFFAOYSA-N 328.459 5.971 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1cccc2c(Cl)cccc12 14258243 YIYKJZKFAQVNLB-UHFFFAOYSA-N 330.214 5.707 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C)cccc1C(C)C 20048481 VJYRZHHVVXEYJS-GOSISDBHSA-N 345.870 5.568 0 40 EKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20456678 PZEAXQCQMKZSCI-OXJNMPFZSA-N 339.479 5.019 0 40 EKAB CC1=CN(c2ccc(C(C)C)cc2)C(=O)N(c2ccccc2)N=C1C 28526921 TWTRSQMHSFNTPO-UHFFFAOYSA-N 333.435 5.536 0 40 EKAB CCc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Cl 36621068 YVCZQDHFMKTTLO-SFHVURJKSA-N 328.843 5.271 0 40 EKAB Cc1cccc(C)c1NC(=S)Nc1ccc(OC(F)(F)F)cc1 47806209 ASALUBCFLSVQPL-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB CCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 55433690 MZWDNWGOALGHNY-QNWVGRARSA-N 335.491 5.570 0 40 EKAB O=C1N=C(Nc2ccc(F)cc2)/C(=C/c2ccc3ncccc3c2)S1 71284543 RNBFILOVXIJVPR-BOPFTXTBSA-N 349.390 5.092 0 40 EKAB CC(C)CCCCCc1cc(O)c(CCCCCC(C)C)cc1O 87492664 NABFRHBCIHEYTA-UHFFFAOYSA-N 334.544 6.616 0 40 EKAB C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102346619 LQGXVFIKRVYZNB-JMVFIXPQSA-N 343.474 5.533 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Cc1cccc2ccccc12 224941392 QQCKUFLDRSUOIS-ROUUACIJSA-N 325.496 5.351 0 40 EKAB Cc1ccc(C)c(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1 225028529 HCMCGQUQJAPJIA-JOCHJYFZSA-N 346.426 5.045 0 40 EKAB Cc1ccc(S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 225089348 CMCFKJOVCCVMDV-OAHLLOKOSA-N 341.259 5.090 0 40 EKAB CC(C)c1ccccc1NC(=O)c1ccc(Oc2nccs2)cc1 225636862 ZOIONDPYBCBRJY-UHFFFAOYSA-N 338.432 5.311 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1Cl 408585872 JTBHTQMBUFZEOJ-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB Cc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 408925231 NUMMPBFBBMFJPG-HMMYKYKNSA-N 347.845 5.828 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(Oc4cccc5cccnc45)c23)C1 38280 RPDKBQLBVWLPOB-LBPRGKRZSA-N 347.443 5.157 0 40 EKAB O=C(NCc1ccccc1Cl)c1cc2c(ccc3ccccc32)o1 1404033 UCKZJJSDXVGQQQ-UHFFFAOYSA-N 335.790 5.169 0 40 EKAB Cc1cc(OC(=O)N(c2ccccc2)c2ccccc2)ccc1C(C)C 1792713 HUHAXLZPJGQBRY-UHFFFAOYSA-N 345.442 6.456 0 40 EKAB c1ccc(CC2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1 3207575 PJKHNWNFBXWBEU-UHFFFAOYSA-N 326.443 5.186 0 40 EKAB Cc1cc(C)nc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 5935323 NEONFXBTPFXETQ-FQEVSTJZSA-N 348.471 5.171 0 40 EKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C)cc3)oc2c1 6775832 UBLNTWCPDJVFCH-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)CC1 6864093 TVJADZDCLBVLBR-UHFFFAOYSA-N 349.261 5.405 0 40 EKAB O=C(NCc1ccc(Cl)cc1)N(c1ccccc1)c1ccccc1 6927508 UQMWZZAORRJWLJ-UHFFFAOYSA-N 336.822 5.388 0 40 EKAB Cc1c(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)oc2ccccc12 7986163 QQRCGMCRZLFUJL-GFCCVEGCSA-N 347.336 5.251 0 40 EKAB COc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1 8742584 LXVUCKXEIYPHIR-UHFFFAOYSA-N 332.428 5.481 0 40 EKAB CCCSc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1 16808408 KHOPLLGLSCMKDK-UHFFFAOYSA-N 334.488 5.545 0 40 EKAB Cc1ccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 27663619 ZKXFNVMUVWZGBU-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(F)c1C 41107813 GXFAPOQVHZUPHQ-UHFFFAOYSA-N 343.785 5.608 0 40 EKAB FC(F)(F)Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 68591118 PRODTWDIHLOMSB-UHFFFAOYSA-N 333.351 5.885 0 40 EKAB COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@@H](OC)CCC1(C)C 77302418 AQBIMXKUTLCCHG-ORGWOOJJSA-N 344.495 5.316 0 40 EKAB in-vitro COc1c(Cl)cc(O)c(-c2c(O)ccc3ccccc23)c1Cl 169796289 JIEODQSFJCHXHK-UHFFFAOYSA-N 335.186 5.233 0 40 EKAB CC(C)[C@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 225185390 OPISBENLVOPFNO-VUODPORTSA-N 327.855 5.041 0 40 EKAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(C(C)C)cc2)c1 225522701 PENANJZTSHFWRX-UHFFFAOYSA-N 342.508 5.084 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1C(C)C 225658881 AGXXYGSOKNAXBS-UHFFFAOYSA-N 335.806 5.172 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)cc1C 225746229 VEQZZVFGEHVRCF-OAQYLSRUSA-N 349.515 5.488 0 40 EKAB CC(C)N1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409062278 RFAKKOBPOHBNQL-DHDCSXOGSA-N 347.823 5.045 0 40 EKAB CCOc1ccc(Br)cc1CNc1cccc(C)c1C 409119949 RFYUKEGDCKXROB-UHFFFAOYSA-N 334.257 5.077 0 40 EKAB CC(C)c1nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2s1 502449828 GNNIVZITXVYCTF-UHFFFAOYSA-N 349.459 5.082 0 40 EKAB Cc1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 41797 IKRKSTQDJVYCMF-UHFFFAOYSA-N 326.248 5.033 0 40 EKAB Cc1ccc(-c2nc(NC(=O)c3ccc(C)c(C)c3)sc2C)cc1 98211 DFGMXTVBSISNBL-UHFFFAOYSA-N 336.460 5.296 0 40 EKAB Cc1ccccc1-c1nnc2n1C(C)(C)Cc1c-2ccc2ccccc12 295098 IXJMWOXYQHHOSK-UHFFFAOYSA-N 339.442 5.365 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl 577963 BRAVHIMHMZZEDV-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CSc1ccccc1-c1nnc(SCc2ccc(C)cc2)o1 1397954 SYKIQKGLVIMFRQ-UHFFFAOYSA-N 328.462 5.059 0 40 EKAB CCCCOc1cc(OCCCC)c2c(C)c(CCC)c(=O)oc2c1 2097708 LYIHVHBYEVLWRO-UHFFFAOYSA-N 346.467 5.412 0 40 EKAB biogenic Cc1ccc(OCCSc2nc3ccccc3[nH]2)c(C(C)C)c1 3108520 CYJWSUDOTKWKSS-UHFFFAOYSA-N 326.465 5.166 0 40 EKAB Clc1ccc(-c2csc(NCCc3ccccc3)n2)c(Cl)c1 3353401 ZRVRTYXSNQHFKC-UHFFFAOYSA-N 349.286 5.772 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 3897712 AZUOJYHOAWIVLM-VOQZNFBZSA-N 336.475 5.971 0 40 EKAB biogenic Clc1ccc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 4395007 WKCZMZGMFFFUOL-UHFFFAOYSA-N 329.896 5.931 0 40 EKAB CCCCc1ccc(NC(=O)COc2cccc3ccccc23)cc1 4666248 IYGYKSDYFGNHKW-UHFFFAOYSA-N 333.431 5.200 0 40 EKAB CC(C)c1ccc(CNc2ncc(-c3ccc(Cl)cc3)n2C)cc1 4678521 ZKQOBYWXSNINBJ-UHFFFAOYSA-N 339.870 5.476 0 40 EKAB CC(C)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 5384766 KDZLVHHUCOJICT-UXBLZVDNSA-N 334.246 5.769 0 40 EKAB C[C@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1 7539728 DUAVWXIPBLXPBL-ZDUSSCGKSA-N 329.802 5.590 0 40 EKAB CC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 20039849 OPAOSNYALGDBDB-QGZVFWFLSA-N 333.884 5.090 0 40 EKAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 20632711 HIVBIROFFCLHOX-LJQANCHMSA-N 344.458 5.217 0 40 EKAB Fc1ccc(COc2ccc(Cl)cc2CNC2CCCC2)cc1 22074277 VNLJLMILKUECFJ-UHFFFAOYSA-N 333.834 5.090 0 40 EKAB Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(SC(F)F)cc1 95968012 OQMDZDRJRLCFNJ-UWVGGRQHSA-N 326.412 5.018 0 40 EKAB Cc1ccc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223388470 ONDADLDURVPKMM-UHFFFAOYSA-N 347.439 5.625 0 40 EKAB Cc1nnc(SCc2cccc3ccccc23)n1-c1ccc(F)cc1 409097638 NNSOSTFAJPWXMO-UHFFFAOYSA-N 349.434 5.160 0 40 EKAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccc(-c2ccsc2)cc1 575610051 JNMMKLSFKICOFY-UHFFFAOYSA-N 349.411 5.198 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1C 385387 ZWUUIRXGRSPSKR-KRWDZBQOSA-N 347.433 5.852 0 40 EKAB S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCC1 523632 JRXXJZYQYCILNQ-UHFFFAOYSA-N 326.248 5.025 0 40 EKAB c1ccc(CSc2nc3c(c(-c4ccccc4)n2)CCCC3)cc1 544222 BRODCJGAPRZRLF-UHFFFAOYSA-N 332.472 5.315 0 40 EKAB Cc1cc(C)cc(NC(=S)NCCCSC2CCCCC2)c1 2933528 ARVIHNUHQBVXRF-UHFFFAOYSA-N 336.570 5.046 0 40 EKAB Cc1nc2sccn2c1-c1nc(-c2cc3ccccc3o2)cs1 3254133 FEINYLFUPSKGMQ-UHFFFAOYSA-N 337.429 5.241 0 40 EKAB Cc1c(C(=O)Nc2ccc(F)c(F)c2F)oc2c(Cl)cccc12 6599495 OULAHLRLVSMKAR-UHFFFAOYSA-N 339.700 5.064 0 40 EKAB Cc1ccc(C(=O)N(Cc2cccc(Cl)c2)Cc2ccco2)cc1 6810640 GZFJOYLIJIFXMH-UHFFFAOYSA-N 339.822 5.084 0 40 EKAB COc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1 8738153 SGLUWDZYKMNUSD-UHFFFAOYSA-N 326.399 5.419 0 40 EKAB Cc1c(Cl)cccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10324107 FUBYSIZONPFAOV-UHFFFAOYSA-N 329.871 5.517 0 40 EKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)[C@@H](C)c1ccccc1 12790382 BNSVTMDDDARINS-ZDUSSCGKSA-N 342.489 5.013 0 40 EKAB O=C(Nc1cc(F)ccc1F)c1ccc(Oc2ccccc2)cc1 12975078 PVJCJSRQDRHBGA-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB O=C(Nc1ccccc1SCc1ccsc1)c1ccccc1F 15720286 BNQHLTSMWQCIHX-UHFFFAOYSA-N 343.448 5.432 0 40 EKAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)c1 20492491 CPZJXEYUWDHITF-NRFANRHFSA-N 349.430 5.035 0 40 EKAB Cc1ccc(Nc2cc(C)nc3c(C)c(-c4cccc(C)c4)nn23)cc1 40216764 NPGYFHKOCMLAAQ-UHFFFAOYSA-N 342.446 5.374 0 40 EKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccccc2C)cc1 44086773 ODUDYZQLAQDSHC-UHFFFAOYSA-N 348.515 6.191 0 40 EKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C)cc3)oc12 67339961 UJEAYIGWNRYGBO-BQYQJAHWSA-N 341.794 5.055 0 40 EKAB c1ccc(CN2CCCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 72214104 LAFHCNVUVXCJQZ-JOCHJYFZSA-N 343.474 5.552 0 40 EKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 216847825 DRJDAKLYILNWAZ-UHFFFAOYSA-N 339.218 5.058 0 40 EKAB Cn1cc(-c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc21 81186 UWDKUZIXHQZQGB-UHFFFAOYSA-N 349.437 5.698 0 40 EKAB CC(C)c1ccc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)cc1 200586 DOVFKCRXPDDYIT-UHFFFAOYSA-N 346.409 5.402 0 40 EKAB Cc1ccccc1-c1nc2cc(NC(=O)c3ccccc3F)ccc2o1 326309 UZFFSRCEUYNPOF-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB S=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 1703109 GUUHSHAWOOMFMF-UHFFFAOYSA-N 331.314 6.163 0 40 EKAB CC(C)CC[C@@]1(CCN[C@H](C)c2ccccc2)CCOC(C)(C)C1 2111867 ZJDLVBRPNKOGFF-DENIHFKCSA-N 331.544 5.739 0 40 EKAB biogenic C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1Cl 3415553 DVNWKGQSLRYQDW-LBPRGKRZSA-N 343.785 5.038 0 40 EKAB C/C(=C\C=C\c1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 3845759 QISFQSCEYMPVBC-GNQVMSMLSA-N 326.480 5.650 0 40 EKAB Cc1ccc(NCn2nc(-c3ccccc3Cl)oc2=S)c(C)c1 4697342 UMENBTMBHLQBDW-UHFFFAOYSA-N 345.855 5.212 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 5865636 BWXJNVJZFAIZLB-QGZVFWFLSA-N 331.415 5.068 0 40 EKAB c1csc(-c2c3c(nc4c2oc2ccccc24)CCCCCC3)c1 12699620 MQQDJWNWXUCLAF-UHFFFAOYSA-N 333.456 6.369 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1Cl 13994917 LXBACQDYKZYRTF-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB c1ccc(CCCOc2ccccc2NCCOc2ccccc2)cc1 19738452 PDKZPPDQKOBGIB-UHFFFAOYSA-N 347.458 5.189 0 40 EKAB CC(C)(C)NCc1ccc(-c2ccc(Cl)cc2Br)o1 20158475 OCKYXZMMTWVNCE-UHFFFAOYSA-N 342.664 5.251 0 40 EKAB Cc1ccc(SCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 31852164 GZZXEKLFODATFP-UHFFFAOYSA-N 347.483 5.321 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 44880924 NVZKBQDDQBORPL-GOSISDBHSA-N 331.843 5.061 0 40 EKAB C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 102569674 NTDBRNJTVVMTAD-CNDZOEFASA-N 332.447 5.137 0 40 EKAB Cc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc3ccccc3n21 102656703 HFMRIHQKODJESC-FQEVSTJZSA-N 329.403 5.016 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc2ccccc2c1 225344556 QTCVQIFWARPLGE-UHFFFAOYSA-N 344.241 5.718 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1cc(C(C)C)c(OC)cc1C 225659519 OEVKBJQGPAVSET-UHFFFAOYSA-N 339.479 5.504 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408574564 RZSRESLOMOHJRH-ZQHZRZASSA-N 345.442 6.112 0 40 EKAB CCOc1ccc(NCc2cc(Cl)c(OCC)c(Cl)c2)cc1 409127099 CTNWHBUDRGYQSO-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB CC(C)CCn1c(COc2ccc3ccccc3c2)nc2ccccc21 351178 ALBNKNYDFKDFIY-UHFFFAOYSA-N 344.458 5.815 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1 569035 NUVOUODSDBCMFQ-INIZCTEOSA-N 325.452 5.487 0 40 EKAB COc1ccccc1Sc1nc2ccccc2cc1-c1ccccc1 3049416 ADXBNDSJVPSYDJ-UHFFFAOYSA-N 343.451 6.062 0 40 EKAB c1csc(C2=Nc3ccccc3S[C@@H]2c2nc3ccccc3[nH]2)c1 4149295 WUGFNRFJYJQPGW-SFHVURJKSA-N 347.468 5.592 0 40 EKAB C(=C/c1nc2c(ccc3ccccc32)s1)\c1ccc2c(c1)OCCO2 6049048 FVNVNNDNWFEJCE-UXBLZVDNSA-N 345.423 5.391 0 40 EKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1F 7094270 CTLDOIUMFKCCIP-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB COc1cc(/C=C/c2nc3c(ccc4ccccc43)s2)ccc1O 7745875 KEPPVKGOUFDMPK-YRNVUSSQSA-N 333.412 5.334 0 40 EKAB Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c2cccnc12 13018432 TWIGWWUTTUIBNZ-UHFFFAOYSA-N 349.192 5.241 0 40 EKAB CCCCc1ccc(NC(=O)CCSCc2ccccc2)cc1 13688111 GUZVTKOWVZPHOR-UHFFFAOYSA-N 327.493 5.291 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 22521833 MADPFLWORXYLJD-KRWDZBQOSA-N 325.452 5.052 0 40 EKAB CCCc1cc(-c2ccco2)c(-c2ccco2)nc1-c1ccccn1 26897045 JNFPJQQZIPLARP-UHFFFAOYSA-N 330.387 5.616 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc2ncccc2c1 58369961 USHBDMWKSHDOFS-UHFFFAOYSA-N 344.439 5.119 0 40 EKAB c1ccc(CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 65330847 GIHDVTXXMFHARJ-UHFFFAOYSA-N 340.517 5.543 0 40 EKAB Clc1ccc(-c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1 78401173 ZZTVIBRIHJBQNE-UHFFFAOYSA-N 335.621 5.771 0 40 EKAB O=Cc1cc(-c2ccccc2)n(-c2ccc(O)cc2)c1-c1ccccc1 78582812 KYUQQTFWYANDGS-UHFFFAOYSA-N 339.394 5.329 0 40 EKAB COc1ccc(/N=c2/ssc3c(=S)ssc23)cc1 104282014 FVECGOHKWKHWCW-ZRDIBKRKSA-N 329.518 5.056 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225704999 ZTZIBTMOSAPNSV-OAQYLSRUSA-N 349.515 5.406 0 40 EKAB Cc1ccccc1NC(=O)N[C@@H](c1ccsc1)c1cccs1 390826718 OYAQNOAGLNZVBU-INIZCTEOSA-N 328.462 5.029 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccccc2CC)cc1OC 409110205 UGNPIQOHRMSGKY-UHFFFAOYSA-N 333.859 5.312 0 40 EKAB CCc1ccc2oc(C(=O)Nc3ccccc3SC)c(C)c2c1 526052302 VNEAPNZRYIWESS-UHFFFAOYSA-N 325.433 5.278 0 40 EKAB CCOc1cc(-c2ccc(SC)cc2)cc(=O)c2c(C)oc(C)c12 111966 FQAULSUKFDHMBV-UHFFFAOYSA-N 340.444 5.197 0 40 EKAB biogenic CCCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1OC 407287 RNTYSTTXSOFJFL-UHFFFAOYSA-N 334.371 5.167 0 40 EKAB biogenic O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc2ccccc2s1 570397 RNRGSXRWXVYVHS-VAWYXSNFSA-N 346.411 5.208 0 40 EKAB CCCCc1ccc([C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1646502 SPFSVEKWCKWVLI-DEOSSOPVSA-N 342.482 6.434 0 40 EKAB Cc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1 2744081 XLOXJRBNGQOAQS-LTGZKZEYSA-N 327.427 5.483 0 40 EKAB c1ccc(-c2nc(SCc3cccnc3)oc2-c2ccccc2)cc1 6276970 RVXHULLXHFHIGK-UHFFFAOYSA-N 344.439 5.696 0 40 EKAB Cc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 13677880 SQCFQHQJWSNDQM-UHFFFAOYSA-N 342.653 5.445 0 40 EKAB O=C(/C=C/c1ccco1)Nc1ccccc1SCc1ccsc1 15720102 ISCSVKSEJZUNAG-BQYQJAHWSA-N 341.457 5.285 0 40 EKAB On1c(-c2cccc(Cl)c2)nc(-c2ccccc2)c1-c1ccccc1 16491918 RBLOYNDUWWSEPY-UHFFFAOYSA-N 346.817 5.775 0 40 EKAB Cc1ccccc1Cn1c(-c2nnc(C(C)C)o2)cc2ccccc21 17135915 ASNYZGODBPJTKM-UHFFFAOYSA-N 331.419 5.171 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(C)cc1 44840333 AFAODPRJPJPLRX-MSOLQXFVSA-N 345.870 5.073 0 40 EKAB Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1 51354247 JZOPSFRBFIGPDD-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](C)c1nc(-c2ccncc2)cs1 90046100 RUGWQYOAUPOORM-VKJFTORMSA-N 349.503 5.413 0 40 EKAB C/C=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914883 FGSFYZNXYHDZKI-NSEAGMDQSA-N 344.539 5.907 0 40 EKAB CC[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)CCCC2 223110569 SCNPCRWOLGKJGA-LJQANCHMSA-N 333.431 5.193 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3cc(C)ccc3C)CCCC2)c1 225842044 KIFYMTOPSHGCQJ-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 245241290 ZWJSLCYDYKYAGX-XWYKLCPESA-N 346.599 6.444 0 40 EKAB CC(C)c1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)cc1 408823271 NNZWNYITEYXEJM-UHFFFAOYSA-N 345.442 5.565 0 40 EKAB COc1c(Cl)cc(Cl)cc1CNc1cc(Cl)ccc1C 409109736 KCOQMDBUGYSHKZ-UHFFFAOYSA-N 330.642 5.576 0 40 EKAB CCN(CC)c1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1 67654 ZIHFJCHJRUSOCX-UHFFFAOYSA-N 344.458 5.037 0 40 EKAB Cc1cc2nccc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)n2n1 1384303 AIWCZVRQZNAOOC-UHFFFAOYSA-N 344.201 5.272 0 40 EKAB CCCCCC1CCC(c2ccc(-c3nc(CCC)no3)cc2)CC1 2058491 FVICIIWUIUPDIW-UHFFFAOYSA-N 340.511 6.543 0 40 EKAB Cc1ccc2nc(NC(=O)c3c(Cl)cccc3Cl)sc2c1 2745457 DUODDZRRQVKMJN-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB O=C(CSCc1ccc(F)cc1)Nc1cc(Cl)ccc1Cl 7146571 MSHKVGMEBIGGRP-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)c(Cl)c1 12935906 HXCFKSNUAAAUON-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB CC(C)=CCC/C(C)=C\COc1cc2oc(=O)cc(C)c2cc1Cl 13811687 XYLYAWLNQVWPAO-ZSOIEALJSA-N 346.854 5.826 0 40 EKAB CCCCOc1ccccc1CNc1ccc(OCC(C)C)cc1 19738159 UXDFIYBXFCWZIY-UHFFFAOYSA-N 327.468 5.512 0 40 EKAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1c(C)cc(C)cc1C 40095791 LYZIRVPBWISXSQ-UHFFFAOYSA-N 336.888 5.381 0 40 EKAB Nc1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 59488149 VNFVQXYMLHXQTH-UHFFFAOYSA-N 341.288 5.478 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 64982244 ZTDORIJSERTLCZ-CQSZACIVSA-N 345.870 5.179 0 40 EKAB CC(C)CCC[C@H](C)CCCCCCCCCOC(=O)C(C)C 96031502 WEUUVFYXSHQOIT-HXUWFJFHSA-N 326.565 6.769 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223142623 FWSIVESKMFWHLN-IBGZPJMESA-N 342.483 5.142 0 40 EKAB OCc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12 314390484 CIHHNGIQQHGLCA-UHFFFAOYSA-N 333.214 5.218 0 40 EKAB CCCCN(CCCC)c1nc(-c2ccccc2)nc2ccccc12 1771425 LGEUPWJDWBYSIG-UHFFFAOYSA-N 333.479 5.703 0 40 EKAB Cc1ccc(OCCCn2cc(C(=O)C3CC3)c3ccccc32)cc1 3648654 KPSLPBKWJBBHKF-UHFFFAOYSA-N 333.431 5.012 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 7684354 BIXIAOIJLOZBIB-UHFFFAOYSA-N 349.455 5.843 0 40 EKAB COc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 8117391 DPYBJHUZMAPTAU-UHFFFAOYSA-N 347.439 5.551 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(C)C)cc2)c(C)c1 13931359 BLTSXDIHMPNESL-MRXNPFEDSA-N 326.509 5.474 0 40 EKAB C[C@H](Sc1ccccn1)C(=O)n1c2ccccc2c2ccccc21 14608350 BEYAJHCZNOKQQS-AWEZNQCLSA-N 332.428 5.011 0 40 EKAB Cc1cc(C)cc(N2C(=O)CS[C@@H]2C2CCC(C(C)(C)C)CC2)c1 16269164 HIVWQKJTDWITDM-LBXVMSDZSA-N 345.552 5.562 0 40 EKAB Cc1ccccc1COc1cccc2ccc(N3CCC[C@@H](C)C3)nc12 17135897 POPLAJNNCYFPPG-QGZVFWFLSA-N 346.474 5.359 0 40 EKAB O=C(Nc1ccc(F)cc1F)C1(c2ccc(Cl)cc2)CCCC1 26456926 SBAADPGUCLXGPH-UHFFFAOYSA-N 335.781 5.069 0 40 EKAB Cc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 30754555 GPWJTILKZGUTLB-GQRCBVMOSA-N 341.454 5.222 0 40 EKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCCc2ccccc21 32760878 YQUMNCLGTLEORB-BEFAXECRSA-N 333.431 5.072 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 40945039 VBWNSWHORGKRHE-DLBZAZTESA-N 333.516 5.084 0 40 EKAB CC(C)(C)c1cnc(CN2Cc3ccccc3-c3ccccc3C2)o1 60361259 CBHLDHQNQONOKW-UHFFFAOYSA-N 332.447 5.155 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CC[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366361 QMOPYIPYDKCJRB-VJLJQMCCSA-N 330.512 5.049 0 40 EKAB Fc1ccc(COc2cccc(CNc3ccc(F)cc3)c2)cc1 107027474 DKTHHWXDBCWSAY-UHFFFAOYSA-N 325.358 5.156 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)c(C)c1 113951644 UQHRGGNVPFZPHK-OAQYLSRUSA-N 333.431 5.253 0 40 EKAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118926028 WCRNVUWHLPSYKR-PQHHJXOYSA-N 346.555 5.845 0 40 EKAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 222860164 PCOKIYUUFSPALI-OXQOHEQNSA-N 339.479 5.019 0 40 EKAB Cc1ccc(C)c(-c2[nH]c(=Nc3cccc4ccccc34)sc2C)c1 409046150 IWXGIFHPHYXDQK-UHFFFAOYSA-N 344.483 6.054 0 40 EKAB Cc1ccc2c(c1)C(C)(C)CC1(CC(C)(C)c3cc(C)ccc3O1)O2 1661144 GXBISNWSSRMKIQ-UHFFFAOYSA-N 336.475 5.820 0 40 EKAB Cn1c(=O)cc(/C=C/c2ccc(-c3ccccc3)cc2)c2ccccc21 1700622 WBOMAHWTXCMJNU-DTQAZKPQSA-N 337.422 5.376 0 40 EKAB CCC(C)(C)C1CCC2(CC1)N=C(S)N(c1ccc(C)c(C)c1)N2 2395678 PTDUWZXUGDPLRH-UHFFFAOYSA-N 345.556 5.237 0 40 EKAB CCOc1ccc(-c2ccc(SCc3ccccc3C)nn2)cc1 4355949 HUUVMLGVZYYDQO-UHFFFAOYSA-N 336.460 5.143 0 40 EKAB CC[C@@H]1CC(CCC(=O)Nc2ccc(C(C)=O)cc2)C[C@@H](CC)C1 4672495 UKEPHQPRNBAUJR-IRXDYDNUSA-N 329.484 5.460 0 40 EKAB S=C(NC1CCCCC1)N1c2ccccc2Sc2ccccc21 6258068 KLSPXHUIAAWLAN-UHFFFAOYSA-N 340.517 5.497 0 40 EKAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 6286787 GERYMSHVTOKHTN-LRYXAPPNSA-N 339.523 5.319 0 40 EKAB Cc1ccccc1OCCn1cc(C(=O)C(C)(C)C)c2ccccc21 6720923 JWHPOTXODNHAOC-UHFFFAOYSA-N 335.447 5.258 0 40 EKAB CCN(CC)c1ccc2cc(-c3ccc(Cl)cc3Cl)oc2c1 8023322 FWXMVRINVCSKPT-UHFFFAOYSA-N 334.246 6.253 0 40 EKAB CCc1ccc2oc(-c3cc(NC(=O)C(C)C)ccc3Cl)nc2c1 14257908 NCWQVEYXHRWBTE-UHFFFAOYSA-N 342.826 5.305 0 40 EKAB CCOc1ccc(-c2nc(Nc3ccc(F)cc3)sc2C)cc1 19894526 WSEHOVRRSRDYHI-UHFFFAOYSA-N 328.412 5.400 0 40 EKAB CCc1ccc(N(Cc2cccs2)C(=O)c2ccc(C)cc2)cc1 28287153 XBHBBZCOVHPBEE-UHFFFAOYSA-N 335.472 5.466 0 40 EKAB CC(C)C[C@H](NC(=O)CCSc1ccccc1)c1ccccc1 38772483 NGSIHNGXXIRXRR-IBGZPJMESA-N 327.493 5.072 0 40 EKAB CCCCc1ccc(NC(=S)Nc2cccc(C(C)C)c2)cc1 71760673 ZCIIQCGULWKBQY-UHFFFAOYSA-N 326.509 5.962 0 40 EKAB O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)Oc1ccccc1 85397236 KBQGBCNLERCWGN-NTCAYCPXSA-N 348.373 5.024 0 40 EKAB Oc1ccc([C@H]2CCc3ccccc32)cc1[C@H]1CCc2ccccc21 95869898 DCUACKYSEIGHJH-YADHBBJMSA-N 326.439 5.548 0 40 EKAB CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 100003862 KAMYBEKPILURLI-CALCHBBNSA-N 340.438 6.119 0 40 EKAB CC(C)C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 216127999 CVQZLWJIGRBOBK-ANCZKMTESA-N 349.518 5.901 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(C)c(C)c1 225710883 WCQSAXXIXHZDGF-MRXNPFEDSA-N 334.435 5.019 0 40 EKAB CC(C)(C)c1ccc(C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 226296395 BKNSDDIMKYHBFI-UHFFFAOYSA-N 326.439 5.786 0 40 EKAB S=C(c1cccc(OCc2ccccc2Cl)c1)N1CCCCC1 408578206 WTVKTYGNCLVLRD-UHFFFAOYSA-N 345.895 5.080 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3cccc(C)n23)cc1 427567 XEJOWNMRXJBGAB-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB CCCCN1C(=O)c2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 4550476 GLIAQFCWWBOYQJ-QGZVFWFLSA-N 348.368 5.072 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 6308171 NNLBPJZDDOWXQY-YGNAEDSMSA-N 348.273 6.159 0 40 EKAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21 6965713 FSVGOGXKWGBDON-NJNPRVFISA-N 347.458 5.643 0 40 EKAB O=C(CCSCc1ccccc1)Nc1cc(Cl)ccc1Cl 7685464 BWCMEWQGEGUFKU-UHFFFAOYSA-N 340.275 5.255 0 40 EKAB O=C(Nc1cccc(Cl)c1)Oc1ccc2oc3ccccc3c2c1 13149309 GWCSQTBVHZMCMJ-UHFFFAOYSA-N 337.762 5.850 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 14914713 XSUOIUAOVWCCHX-CYBMUJFWSA-N 333.884 5.583 0 40 EKAB CC(C)[C@H](NC(=O)c1cccc(Cl)c1Cl)c1cccs1 21494521 XILYQTYXTJOVHZ-AWEZNQCLSA-N 328.264 5.182 0 40 EKAB CN(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 31666752 FDXQQURFVNGDJG-UHFFFAOYSA-N 344.332 5.725 0 40 EKAB O[C@H](CN(Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1 31923785 ORLHMXYPJWTLGW-OAQYLSRUSA-N 343.898 5.208 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(F)cc3)o2)cc1C 33027700 CETNSPZXKRKJFW-UHFFFAOYSA-N 337.394 5.274 0 40 EKAB CCCCN1C(=O)CC[C@H](Sc2ccccc2)[C@H]1c1ccccc1 65090593 WHLHRHFMMSWCOI-PZJWPPBQSA-N 339.504 5.311 0 40 EKAB CC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 85430331 YAUWRDYQOFEPPN-HNAYVOBHSA-N 332.447 5.297 0 40 EKAB CC(C)c1ocnc1C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 95956535 WZXKFGRSBOWTRN-HNNXBMFYSA-N 349.434 5.223 0 40 EKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 216270929 NCSPXMCIXACLDD-QGZVFWFLSA-N 333.431 5.171 0 40 EKAB Cc1ccc2nc(CCCc3nc4ccc(C)cc4s3)sc2c1 216740876 WUKRCNJALJUFAC-UHFFFAOYSA-N 338.501 5.698 0 40 EKAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C 225665042 BELPRCQQIPJPAA-IERDGZPVSA-N 347.499 5.098 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(Cl)c2)C(C)C)c(C)c1 225763348 FVPRJHVMLRFQIB-SFHVURJKSA-N 346.927 5.641 0 40 EKAB CCOC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 226258057 ARFOYFKGMFSDNX-GQCTYLIASA-N 345.609 5.483 0 40 EKAB Cc1cc2nc(C(=O)c3ccccc3)c(-c3ccccc3)nc2cc1C 604941591 QCOJQLWBDLGCIL-UHFFFAOYSA-N 338.410 5.145 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1Cl 92352 YWYTYDYUMRDTGO-MFKMUULPSA-N 332.658 5.178 0 40 EKAB O=C(Nc1nc2ccccc2s1)[C@@H](c1ccccc1)C1CCCC1 536444 LKGOZYVWSIGYAR-SFHVURJKSA-N 336.460 5.209 0 40 EKAB Cc1[nH]c2ccccc2c1C1=C[C@@H](c2c(C)[nH]c3ccccc23)CCC1 1722651 BFKIFAMVOVDGET-KRWDZBQOSA-N 340.470 6.617 0 40 EKAB CCCCCOP(=O)(Cc1ccc(Cl)cc1)OCCCCC 1737524 YXXVCOXJYDYYIF-UHFFFAOYSA-N 346.835 6.447 0 40 EKAB O=C(O)c1oc2ccccc2c1C=C(c1ccccc1)c1ccccc1 2022803 IBJMSNMTJMKNSO-UHFFFAOYSA-N 340.378 5.720 0 40 EKAB Cc1ccc(SCc2csc(Nc3ccccc3C)n2)cc1C 3407601 GLZZKRDTKHQKNB-UHFFFAOYSA-N 340.517 6.104 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1F 6561381 VNTQBBSIMMKBKX-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1(C)C 8306562 KMEMYQMBOTTYFM-RTWAWAEBSA-N 331.459 5.435 0 40 EKAB C[C@H]1Cc2ccccc2N1C(=O)/C(=C/c1ccccc1)c1ccccc1 13596426 RQRFAWVXOYJOMW-VJWQYWRGSA-N 339.438 5.205 0 40 EKAB CC(C)c1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 27664451 SWIAEPLNTNCFRF-UHFFFAOYSA-N 348.421 5.191 0 40 EKAB CC[C@H](Sc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 57990937 SMZOBZQZYVOULC-HNNXBMFYSA-N 330.840 5.633 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1C[C@H]1c1ccco1 95381722 CEZMXWKRZZYIJY-CVEARBPZSA-N 335.428 5.173 0 40 EKAB Cc1cc(F)ccc1N(Cc1ccco1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106623413 MQXLANKELNRPOB-YESZJQIVSA-N 341.426 5.087 0 40 EKAB Fc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 106977719 GUKPTDIGRDDGLV-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CC[C@H](NC(=O)CCSCc1ccccc1)c1ccc(C)cc1C 218999787 YZVJTOGOAXJRIN-FQEVSTJZSA-N 341.520 5.194 0 40 EKAB Cc1ccc([C@H](NC(=O)Cc2ccc(C)cc2C)c2ccccc2)cc1 224407849 VIKIXUAPGFNONF-XMMPIXPASA-N 343.470 5.060 0 40 EKAB O=C(Cc1ccccc1)Nc1nc(-c2ccc3ccccc3c2)cs1 190882 KXJKUPCAQJFPBI-UHFFFAOYSA-N 344.439 5.145 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2ccccc2cc1O 356738 XRSZVNFMWDURBA-UHFFFAOYSA-N 332.186 5.105 0 40 EKAB CCCCN(CCCC)CC[C@](C)(O)c1cccc2ccccc12 1628203 VVPSBCPSPBTMRV-QFIPXVFZSA-N 327.512 5.340 0 40 EKAB CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(N2CCCC2)cc1 1705976 RIQJODRBNMKMRH-GOTSBHOMSA-N 337.507 5.983 0 40 EKAB Cc1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1C 2396011 TYBYGOKQJIKGAL-UHFFFAOYSA-N 340.517 5.479 0 40 EKAB CCCC[C@H](CC)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 4631049 AFQGQIJRBZERAW-INIZCTEOSA-N 336.479 5.969 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 4690086 QUEIOHCEDOTFJO-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB Cc1c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)oc2ccccc12 6286381 IEDRAEXODVFKOT-HIGJEIRPSA-N 337.463 5.076 0 40 EKAB Clc1ccc(Cl)c(-c2ccc(CNCc3cccs3)o2)c1 7524487 ZAYTTXOVKNUFPY-UHFFFAOYSA-N 338.259 5.605 0 40 EKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 8041516 VYFOENWAIXOECD-SFHVURJKSA-N 345.442 5.376 0 40 EKAB Cc1ccc(C(=O)[C@@H](C)Sc2nc(C)c(C)n2C2CCCC2)cc1 8231612 IQBWSCJJKQWUSD-MRXNPFEDSA-N 342.508 5.287 0 40 EKAB Cc1cccc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 12783269 MEDVAQOERJUNFR-GOSISDBHSA-N 340.423 5.107 0 40 EKAB CCOc1cccc(OCCCOc2ccc([C@@H](C)CC)cc2)c1 14084361 OLFUSFAMNKRNOA-KRWDZBQOSA-N 328.452 5.447 0 40 EKAB C[C@@]12CC3CC(C(=O)Nc4ccc(F)c(Cl)c4)(C1)C[C@](C)(C3)C2 16778663 FJXXGHFQTINOEJ-CMXJYWLISA-N 335.850 5.414 0 40 EKAB CCc1c(-c2nnc(-c3cc(Cl)ccc3Cl)o2)csc1C 17071073 ZWWWJFJIPIOBOY-UHFFFAOYSA-N 339.247 5.643 0 40 EKAB Cc1cc(C)cc(NCc2cccc(OCCc3ccccc3)c2)c1 19737765 PQGMAOBNZZNGPR-UHFFFAOYSA-N 331.459 5.537 0 40 EKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccco3)Cc3ccco3)oc2c1 28231935 PLVXLKCLNZPFFG-UHFFFAOYSA-N 349.386 5.078 0 40 EKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]4(C)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 39027837 HCGWHJRCLCRJFR-OVMODOJMSA-N 330.512 5.194 0 40 EKAB CCCC1CCC(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 72193665 FCSGHXZQLQYPRD-UHFFFAOYSA-N 335.447 6.131 0 40 EKAB Cc1ccc(CN(Cc2ccco2)Cc2cccc(F)c2F)s1 84205455 SDKXGCWXMKVQAQ-UHFFFAOYSA-N 333.403 5.130 0 40 EKAB Clc1c(Br)cc(Br)c(Cl)c1Cl 98175168 MMJUABSMDXVNPI-UHFFFAOYSA-N 339.241 5.172 0 40 EKAB O[C@H](c1ccc(-c2ccccc2)cc1)c1cccc(Br)c1 109783205 CCEALMAYWIKKTG-LJQANCHMSA-N 339.232 5.198 0 40 EKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(C)cc1C 225310330 PYHPWPLCCLQFQR-LJQANCHMSA-N 329.871 5.157 0 40 EKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Cl)cc1 225658353 COODSCITGYWCCE-CQSZACIVSA-N 346.927 5.383 0 40 EKAB CCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225818069 PVVNKGVIDZPQJU-BTYIYWSLSA-N 343.467 5.161 0 40 EKAB C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253498004 ZWJSLCYDYKYAGX-JPNGFMFNSA-N 346.599 6.444 0 40 EKAB CC(C)Oc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 408575551 NWVBSNHDYJKBCB-ZDUSSCGKSA-N 349.883 5.247 0 40 EKAB CCOc1ccccc1N=c1[nH]c(-c2ccc(C)cc2C)c(C)s1 409044305 BSTVWDAWWKQQQS-UHFFFAOYSA-N 338.476 5.300 0 40 EKAB Cc1ccc(C)c(NCc2ccc(OCc3cccc(F)c3)cc2)c1 409117036 WDWXLDFYUXHLJQ-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB S=C(c1ccc(OCc2ccc(Cl)cc2)cc1)N1CCCCC1 409206366 NLTFEGXAAXSSSZ-UHFFFAOYSA-N 345.895 5.080 0 40 EKAB O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1Cl 60059 UQSRIVDYEKEWHD-UHFFFAOYSA-N 338.790 5.138 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 193671 JSXNIUIBVUVOJT-IZZDOVSWSA-N 340.835 5.115 0 40 EKAB CN1CCC([C@H]2Oc3ccccc3Sc3ccc(Cl)cc32)CC1 347657 DJBLGERXKWAXLD-LJQANCHMSA-N 345.895 5.267 0 40 EKAB C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 566967 XESKFDGDCQBUQD-OAHLLOKOSA-N 330.383 5.229 0 40 EKAB Cc1cc(Cc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 1694485 RKLRVTKRKFEVQG-UHFFFAOYSA-N 340.507 5.900 0 40 EKAB CC(C)(C)c1ccc(CSc2snnc2-c2ccccc2)cc1 3128711 BCBVDWCRUDCKNB-UHFFFAOYSA-N 340.517 5.795 0 40 EKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccs1 3896884 GWEXJPLDMGEPDX-UHFFFAOYSA-N 337.488 5.468 0 40 EKAB Cc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)c(C)c1 5403522 NWZLUDKSKZKOMR-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB CCOC(=O)[C@](C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1 5651229 YWQGBCXVCXMSLJ-FQEVSTJZSA-N 346.854 5.041 0 40 EKAB in-man Cc1cc(C)c(-c2csc(NC(=O)c3cccs3)n2)c(C)c1 6221304 SZZULRZPLHYCIZ-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB CSCc1c(C(=O)Nc2cccc3ncccc23)oc2ccccc12 6560889 UOGORGSCTUBLJY-UHFFFAOYSA-N 348.427 5.096 0 40 EKAB Cc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3cccs3)C2)cc1 9135180 AASBMUAHYKCYNY-INIZCTEOSA-N 339.489 5.177 0 40 EKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(C)C)c3)nc2c1 9141077 IJSHTKYCHJWALQ-UHFFFAOYSA-N 342.826 5.305 0 40 EKAB CCCCCCC1N2[C@H](CCCCCC)N[C@@H](CCCCCC)N12 19170344 IJPBLGWXZQMFLK-YSSFQSMKSA-N 337.596 6.012 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2ccccc2c1 20111541 GWNOHVIDYHOMFF-OAQYLSRUSA-N 333.431 5.253 0 40 EKAB COc1cc(CNC(C)(C)CC(C)(C)C)c(Cl)cc1OC(C)C 36612534 DVYKLDLJQYWWSA-UHFFFAOYSA-N 341.923 5.440 0 40 EKAB C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 97393495 GENIKSRZPUERKV-GHMZBOCLSA-N 329.312 5.395 0 40 EKAB Cc1ccc(C2C[C@@H]3CC[C@@H](C2)N3C(=O)c2cc(C3CC3)oc2C)cc1 100476138 SICMXWLNXBZRHW-PMACEKPBSA-N 349.474 5.325 0 40 EKAB CCc1ccc(CCC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 223105030 NVDGHFYQYYPTNJ-HSZRJFAPSA-N 349.518 5.328 0 40 EKAB Cc1c(Cl)cccc1NC(=O)CCc1ccc(Cl)cc1Cl 225368995 RZVVRPDBPLBKAL-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1CCCc2ccccc21 225373819 MQCUYPCMELSRNX-GOSISDBHSA-N 348.273 5.120 0 40 EKAB COc1cc(C)c(C(=O)Nc2cc(Cl)ccc2C)cc1C(C)C 225657511 RAWWQUOXGPJZKU-UHFFFAOYSA-N 331.843 5.341 0 40 EKAB Clc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1 327032195 RTXODVRNOQIGIM-UHFFFAOYSA-N 342.829 6.131 0 40 EKAB Fc1cc(C(F)(F)F)cc(F)c1Oc1cccc(Cl)c1F 1504250390 JVZQLJXWJVBGGY-UHFFFAOYSA-N 326.623 5.568 0 40 EKAB CC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCCCCC2)=N1 1988179730 IOKIVQBMWOEBIM-HZPDHXFCSA-N 348.531 5.014 0 40 EKAB O=C(Nc1cccc2ccccc12)c1cccc2c1C(=O)c1ccccc1-2 75213 FFCZTKFOZXBVAY-UHFFFAOYSA-N 349.389 5.304 0 40 EKAB Cc1oc2c(c(C)cc3oc(=O)c(Cc4ccccc4)c(C)c32)c1C 95468 YMMLRGVFZDAKQX-UHFFFAOYSA-N 332.399 5.364 0 40 EKAB biogenic CC[C@H](C)c1ccccc1NC(=O)c1ccc(Br)cc1 568666 OSNVIVQEEUAUDM-LBPRGKRZSA-N 332.241 5.215 0 40 EKAB COc1ccccc1Nc1nc(-c2ccccc2)c2cc(C)ccc2n1 1293975 WYWXFHMVUPMTJL-UHFFFAOYSA-N 341.414 5.357 0 40 EKAB CCCCN(CCCC)[C@H](C)[C@@H](O)c1ccc2c3c(cccc13)CC2 1683275 KXMDAFJWLTZHEE-UZUQRXQVSA-N 339.523 5.263 0 40 EKAB Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1 2569361 YDGFMDPEJCJZEV-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(F)c(F)c(F)c1F 3353998 URJFZWBHEWDRGX-UHFFFAOYSA-N 346.279 5.129 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4027853 WIWIXNXBHJVZNI-CPZYAPRGSA-N 344.539 5.151 0 40 EKAB biogenic CC(=O)CC/C=C(/C)CC[C@@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C 5529361 QKSODSWUZYYQJJ-PKEMPPKDSA-N 332.572 6.961 0 40 EKAB Clc1ccccc1CSc1nnc(-c2cccs2)n1C1CC1 7763499 WUAIKTBMUYECCP-UHFFFAOYSA-N 347.896 5.287 0 40 EKAB CCOc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 10294039 KAMGMYOCWVVDTA-VQHVLOKHSA-N 336.218 5.044 0 40 EKAB Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 13689480 NUZCYXGMCPEHFY-DENIHFKCSA-N 344.414 5.139 0 40 EKAB FC(F)(F)c1cccc(-c2ccc(CNCc3ccccc3)o2)c1 20158567 BYVFLPOVXVFDAW-UHFFFAOYSA-N 331.337 5.255 0 40 EKAB Cc1ccc(-c2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 20823084 WHSOFJLMJGGCEP-UHFFFAOYSA-N 342.398 5.291 0 40 EKAB Cc1cccc(/N=c2/ssc3c2-c2ccccc2NC3(C)C)c1 103614285 BVJRSHBBCNIGOJ-CZIZESTLSA-N 338.501 5.678 0 40 EKAB CC(C)c1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225046591 ICRMNHLNRSGBMB-OAQYLSRUSA-N 334.415 5.038 0 40 EKAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(Cl)c1)C(C)C 225759888 MWVHBZANHQPJIL-KRWDZBQOSA-N 332.900 5.332 0 40 EKAB CCc1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1 409115589 SFNNSXZRPYNPRY-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1c(-c2ccccc2)cc2ccccn12 1470887 JMSZTXLCZYPKCA-UHFFFAOYSA-N 346.817 5.512 0 40 EKAB O=C(Nc1ccccc1Cl)Oc1ccc(C2CCCCC2)cc1 1732636 KTOGAHNXXJENQO-UHFFFAOYSA-N 329.827 5.999 0 40 EKAB c1ccc(-c2nc(NC3CCCCC3)sc2-c2ccccc2)cc1 2141241 CVECQVPRIUHPMB-UHFFFAOYSA-N 334.488 6.222 0 40 EKAB COc1ccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)cc1 2302495 DEZIKGBQQCOAPY-UHFFFAOYSA-N 325.411 5.886 0 40 EKAB Cc1ccc(-c2nn(-c3ccccc3Cl)c(=O)c3ccccc23)cc1 2748405 DJXVGTHOPYGQAC-UHFFFAOYSA-N 346.817 5.015 0 40 EKAB O=C(/C=C/c1cccs1)N1c2ccccc2CCc2ccccc21 3176571 QJLBIVNZVGLESN-BUHFOSPRSA-N 331.440 5.225 0 40 EKAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)C1(C)C 4717248 GDJKFDSRDFQQSD-VQTJNVASSA-N 345.442 5.075 0 40 EKAB Fc1ccc(-c2csc(/C=C/c3ccccc3OC(F)F)n2)cc1 5868136 JZXGUPCYHRZWDJ-JXMROGBWSA-N 347.361 5.721 0 40 EKAB Clc1ccc(/C=C/c2nc(-c3cccs3)cs2)cc1Cl 6053535 JELYFWPMBABKEH-GQCTYLIASA-N 338.284 6.349 0 40 EKAB Clc1ccc(-c2n[nH]c(SCc3ccccc3Cl)n2)cc1 6227086 JQCPBPNVGHPPRP-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc(Cl)c(Cl)c2)C1 6763534 CHXDLETYBZZONP-SJKOYZFVSA-N 341.282 5.426 0 40 EKAB C[C@H]1CCc2nc3sc4c(c3c(-c3ccco3)c2C1)CC[C@@H](C)C4 12610112 KUJNNBUZCIDGIB-QWHCGFSZSA-N 337.488 5.806 0 40 EKAB COc1ccc2ccc(OC(=O)Nc3ccc(C)c(Cl)c3)cc2c1 13149312 GPTDTKGZCQXOBH-UHFFFAOYSA-N 341.794 5.421 0 40 EKAB O=C(Cc1ccccc1Cl)Nc1ccccc1Oc1ccccc1 15963619 IMSSMSURBJEEJR-UHFFFAOYSA-N 337.806 5.314 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)c(C)c1 20459723 RTPVWPXPHCYZGY-HNNXBMFYSA-N 347.911 5.067 0 40 EKAB CCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1 27794561 QQIJZCMJMWEQDT-UHFFFAOYSA-N 335.472 5.466 0 40 EKAB Cc1ccccc1C(=O)N(Cc1ccco1)c1ccc(Cl)cc1 27795317 QYNCQAXVTAXIOO-UHFFFAOYSA-N 325.795 5.088 0 40 EKAB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1C 27994428 MPJUPFVBUJBBAO-UHFFFAOYSA-N 339.822 5.397 0 40 EKAB Clc1cc(-c2nc3ccccc3o2)cc(Cl)c1Br 45919893 IBCIMSIQSRUYCM-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB Clc1ccc(CNc2cccc(-c3nc4ccccc4o3)c2)cc1 45954117 NYJRIZJRNYGNCX-UHFFFAOYSA-N 334.806 5.760 0 40 EKAB O=[S@](Cc1ccc(Cl)cc1)Cc1c(Cl)cccc1Cl 58168067 WWXDERATDKOFRE-IBGZPJMESA-N 333.667 5.096 0 40 EKAB Cc1cc2[nH]c(-c3ccc(Br)cc3F)nc2cc1Cl 73638263 ZFXCWSTXPUQPER-UHFFFAOYSA-N 339.595 5.093 0 40 EKAB Clc1ccccc1[C@H](N1CCCCC1)C(Cl)(Cl)Cl 95695606 DYOFOGDRKYPWPI-LBPRGKRZSA-N 327.082 5.237 0 40 EKAB Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1 103229433 LEWBVFYFZMZJOY-UHFFFAOYSA-N 327.836 5.190 0 40 EKAB CCSc1ccccc1C(=O)N[C@@H](CC(C)C)c1ccccc1 219648152 SGAZFELHSZQDGX-SFHVURJKSA-N 327.493 5.316 0 40 EKAB CCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1C 223741031 CKZCQLVYNAYINK-UHFFFAOYSA-N 331.415 5.313 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1 225600230 UUCAHEKZCPBBMO-HNNXBMFYSA-N 345.870 5.486 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225701229 NGWFAYACILGOSX-DYESRHJHSA-N 349.515 5.405 0 40 EKAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 225795320 RSCNCEUXHYDEFY-UHFFFAOYSA-N 329.443 5.105 0 40 EKAB Brc1ccccc1Oc1ccccc1Br 400033 JMSKYMHFNWGUJG-UHFFFAOYSA-N 328.003 5.004 0 40 EKAB CCN(CC)c1ccc(NC(=O)c2ccc3ccccc3c2)c(C)c1 568400 GDYCKMZVAVMIFB-UHFFFAOYSA-N 332.447 5.247 0 40 EKAB O=C(O[C@@H]1CCCC[C@H]1C1CCCCC1)C(Cl)(Cl)Cl 1686282 NBNJNFUHTVVPMM-NWDGAFQWSA-N 327.679 5.039 0 40 EKAB Cc1ccc(-c2nc(N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 1775393 JNZDOGLESVHXBU-KRWDZBQOSA-N 339.442 5.778 0 40 EKAB CCCCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1909390 MDSVPENSZXVARD-UHFFFAOYSA-N 329.443 5.949 0 40 EKAB CC(C)N(Cc1ccccc1)C(=O)/C=C/c1cccc(C(F)(F)F)c1 3357110 MRGOQIMGYNYXOC-VAWYXSNFSA-N 347.380 5.156 0 40 EKAB c1ccc2[nH]c(CCCCCCCCCC[C@H]3CCCO3)nc2c1 3901280 SHCPZIGLSYEHDU-SFHVURJKSA-N 328.500 5.795 0 40 EKAB COc1ccc(C(=O)NC2CCCCCCCCCCC2)cc1OC 3957218 IOOXMFJISJSNFU-UHFFFAOYSA-N 347.499 5.107 0 40 EKAB C[C@]12CC[C@H]3[C@H](CC[C@H]4CCCC[C@]34C)[C@@H]1Cc1sc(N)nc12 4138712 LDZFZRSSOBEODZ-GHZCAYIRSA-N 330.541 5.172 0 40 EKAB Cc1ccc(N[C@H]2C=C(c3ccccc3)Oc3ccccc32)c(C)c1 5495429 FQBPEQXRWFQPMO-NRFANRHFSA-N 327.427 5.890 0 40 EKAB CC1(C)[C@@H]2CC[C@H]1[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 5645054 BNRWIFFGXQRKHM-OLUVUFQESA-N 328.239 5.367 0 40 EKAB COc1ccccc1/C=C/C(=O)Nc1ccccc1-c1ccccc1 6458237 XLJOADZBMIJXCD-FOCLMDBBSA-N 329.399 5.014 0 40 EKAB COc1cc(Cl)c(C)cc1NC(=O)c1oc2c(F)cccc2c1C 6881274 MQCPTUTXIMLASR-UHFFFAOYSA-N 347.773 5.103 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(Cl)cc2)cc1 11914836 SGAWHZBWHVKVAJ-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB CCc1cc2c(Oc3ccc(Oc4ccccn4)cc3)ncnc2s1 24203724 ZGJKFWNPCMHBHY-UHFFFAOYSA-N 349.415 5.233 0 40 EKAB CC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(C)cc1 30850876 LYMXUXASGAZPAD-GOSISDBHSA-N 347.911 5.398 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 32118954 LVZHRCZYGWMICU-UHFFFAOYSA-N 344.867 5.545 0 40 EKAB CCCCc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2)cc1 36611810 AIKFVMXLRZTMMN-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219650848 ACCMJESPIKDOLF-GOSISDBHSA-N 327.493 5.297 0 40 EKAB Cc1ccccc1[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 225437740 WZIZQAZVYIBIJZ-JOCHJYFZSA-N 349.861 5.097 0 40 EKAB Cc1cccc(C(=O)Oc2ccc3cc(Br)ccc3c2)c1 364384 KFABPLUQZUXATQ-UHFFFAOYSA-N 341.204 5.130 0 40 EKAB Cc1cccc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)c1 385389 YKXADWDVJDHSTH-INIZCTEOSA-N 333.406 5.543 0 40 EKAB COc1ccc(-c2nc3ccc(Cl)cn3c2NCCC(C)C)cc1 417107 ROUGCPJTWKFCFB-UHFFFAOYSA-N 343.858 5.121 0 40 EKAB CCN(CC)C[C@H](C)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698645 AWRHCRZHVXPVOG-OXJNMPFZSA-N 337.935 5.086 0 40 EKAB CSc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 3326788 XLXGHGKKSYPFLZ-UHFFFAOYSA-N 347.439 5.285 0 40 EKAB CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 4071166 FRYGCVUJOCAPAM-UHFFFAOYSA-N 342.489 5.252 0 40 EKAB Cc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1C 4549311 RGTMDMVDOKGQGY-UHFFFAOYSA-N 346.430 5.065 0 40 EKAB CCCCOc1ccc(/C=C/C(=O)OC[C@@H](CC)CCCC)cc1 4775046 NWSWTXGGTKZDFO-XOVFHRFOSA-N 332.484 5.638 0 40 EKAB CCc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 6406023 FYGYPDQWZHEFLA-UHFFFAOYSA-N 345.442 5.389 0 40 EKAB CC(C)Oc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 7668926 JVKRRCKQEYBJGN-UHFFFAOYSA-N 331.415 5.393 0 40 EKAB Cc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccccc3)C2)cc1 9305526 UAJCLOXUWRUHEG-LJQANCHMSA-N 333.460 5.116 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 20456578 DMXDJEQZNWBUPN-OAHLLOKOSA-N 343.492 5.157 0 40 EKAB CCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 27985980 WMNGGSPUHLCAJK-UHFFFAOYSA-N 344.418 5.164 0 40 EKAB CC[C@H](N[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 31924548 NVERXPXBCCTSMD-VXKWHMMOSA-N 329.443 5.352 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1 39968800 XUFVYCIQIDOJGS-GOSISDBHSA-N 346.927 5.703 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 44902387 OQAKHVRRUFIEFX-KRWDZBQOSA-N 337.916 5.217 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1 59240714 LVXAYPOZNRVHFT-CAPFRKAQSA-N 335.491 5.558 0 40 EKAB CCCCN1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217625 AJLDZIJFZFRNDN-LJQANCHMSA-N 326.509 5.560 0 40 EKAB Cc1sc(Br)c(C(=O)c2ccc(Cl)cc2)c1C 148874923 PFGBNQQEMGMUSV-UHFFFAOYSA-N 329.646 5.012 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)cc(C)cc1C 216483314 TWIWQNOKMFBCSI-KRWDZBQOSA-N 347.911 5.775 0 40 EKAB Cc1ccc([C@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)c(C)c1 222981931 QLANIEAKEYKJSE-HSZRJFAPSA-N 343.470 5.440 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)c1cccc(OCc2ccccc2)c1 224269985 TZIQBDHCEICHMQ-UHFFFAOYSA-N 339.479 5.210 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 45823 OBFUHOFFILTKJS-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 311196 YAAQAYGPZDYMSW-ZDUSSCGKSA-N 331.843 5.179 0 40 EKAB Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1-c1ccccc1 490018 ANTPLZFFFWCICZ-UHFFFAOYSA-N 342.394 5.347 0 40 EKAB biogenic O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCCc2ccccc21 1426176 LBAPJZXPMNVOTD-UHFFFAOYSA-N 337.806 5.193 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 2734315 WPVWYDQCUORMTE-HIFRSBDPSA-N 345.870 5.568 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc2ccccc2c1 5683587 WGUFSLJCUCDSGI-UHFFFAOYSA-N 337.422 5.683 0 40 EKAB CCCCCCC(=O)C[C@@H](SCCO)c1ccccc1Cl 5782550 VEOHMGHQJPLSMR-QGZVFWFLSA-N 328.905 5.036 0 40 EKAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13774754 LZOIDGBTKONUEM-AWEZNQCLSA-N 342.508 5.040 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)cc1 14075600 RKUYVIILWGRKFP-UHFFFAOYSA-N 342.398 5.521 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1cccc2ccccc12 16608661 PLZIJELGFYSFPG-SYNHAJSKSA-N 325.452 5.849 0 40 EKAB Cc1cc(C)c(NC(=O)c2cc3ccc(F)cc3nc2C)c(Cl)c1 32856114 UHSRMTWPEIYIST-UHFFFAOYSA-N 342.801 5.205 0 40 EKAB Cc1ccn2c(Nc3cccc(Cl)c3)c(-c3ccccc3O)nc2c1 35616121 AJVGCHRNDYRCAB-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB CCc1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 78457648 HSILRCMNQTWTQJ-KRWDZBQOSA-N 329.443 5.407 0 40 EKAB c1ccc(-c2nc(SCc3ccon3)oc2-c2ccccc2)cc1 78707950 JEVWURDCSDNEIZ-UHFFFAOYSA-N 334.400 5.289 0 40 EKAB CC(C)Oc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 106989978 HOZYKFVRYTYVIK-UHFFFAOYSA-N 343.829 6.032 0 40 EKAB Clc1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1 216914478 IZLRWHGIWLAUHV-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB Cc1cc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 225641434 ULGFLXIRYQVPDJ-UHFFFAOYSA-N 341.760 5.536 0 40 EKAB CCc1ccc([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 225651309 VAGBEGAWHUPQNT-AWEZNQCLSA-N 347.911 5.262 0 40 EKAB O=C(CCC1CCCC1)c1ccc(COc2cc(F)ccc2F)cc1 575358466 ZDATXXYJLMGZEP-UHFFFAOYSA-N 344.401 5.697 0 40 EKAB CC(C)N(CCOc1cc(F)ccc1Oc1ccccc1)C(C)C 585266203 JZBMSPQERMHAQJ-UHFFFAOYSA-N 331.431 5.116 0 40 EKAB Cc1nc(Oc2ccc(C(C)C)cc2)c2c3c(sc2n1)CCCC3 102283 PGQQQCZFKQIBMG-UHFFFAOYSA-N 338.476 5.794 0 40 EKAB Clc1ccc(SC/C=C/CSc2ccc(Cl)cc2)cc1 1665390 IYDMTDVSXXUTME-OWOJBTEDSA-N 341.328 6.434 0 40 EKAB CCOc1cccc2sc(Nc3nc4c(F)cccc4s3)nc12 4137659 JDIRAPXCBWSDPK-UHFFFAOYSA-N 345.424 5.187 0 40 EKAB CC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O 4214727 PIFPCDRPHCQLSJ-WYIJOVFWSA-N 330.512 6.773 0 40 EKAB endogenous,in-man CC(C)Cc1ccc([C@H](C)c2nc(-c3cccc(Cl)c3)no2)cc1 4289193 RYKKFJCGWINYSH-AWEZNQCLSA-N 340.854 5.740 0 40 EKAB CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OC 6595453 JWDRHDKZVYIKDE-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Cc1ccccc1COc1ncnc2scc(-c3ccccc3)c12 8429041 TUDXSDAVLIHLEN-UHFFFAOYSA-N 332.428 5.246 0 40 EKAB CC1(C)C[C@@H](NCCC2(c3ccc(Cl)cc3)CCCCC2)CCO1 32097240 QAAJVRXJHJTBRW-IBGZPJMESA-N 349.946 5.479 0 40 EKAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 45889117 LVRPIAJPLSTWDM-UHFFFAOYSA-N 330.431 5.059 0 40 EKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cccc2ccccc12 409106120 MJYMFLYBDOSBNF-YVLHZVERSA-N 339.316 5.351 0 40 EKAB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C1CCCC1 575359083 PUFRWGFZOXKAMZ-UHFFFAOYSA-N 341.454 6.529 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1CC1[C@H](C)CC(C(C)(C)C)C[C@H]1C 1719233 ZSPUXNPPFAIXNL-SNIUIWFXSA-N 342.611 7.488 0 40 EKAB CC(=O)N(Cc1ccco1)CC(C)(C)C/C=C(\C)CCC=C(C)C 3176388 GMPDGZVFISUYQM-LDADJPATSA-N 331.500 5.737 0 40 EKAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1c1ccc(Cl)cc1 3257294 FGIMKNPGVVQVDZ-QGZVFWFLSA-N 340.835 5.173 0 40 EKAB CCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1OCC 4681196 RARCHBZKOMKOCB-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB C[C@H](NCC[C@@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1 4834772 OQCCEORISKRECA-JXFKEZNVSA-N 339.866 5.806 0 40 EKAB O=c1sc2c(s1)S[C@H]1c3cccc4cccc(c34)[C@@H]1S2 5243036 BFVWEFRRTXRJEZ-RYUDHWBXSA-N 332.496 5.317 0 40 EKAB CC(C)CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 6883554 WWOYAMXKROITAQ-UHFFFAOYSA-N 338.278 5.318 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 11400239 HFAILLRDFJGEQW-NSHDSACASA-N 340.275 5.421 0 40 EKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 14495845 BIURUASEQFIVHG-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21 15275865 ZICGITHVXPDMEN-SCLBCKFNSA-N 345.895 5.014 0 40 EKAB C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)c(Cl)c1 22783555 AOBRHPCJQDRWFN-ZDUSSCGKSA-N 346.261 5.030 0 40 EKAB COc1ccc(-c2nc(CSCc3ccccc3C)co2)cc1 32909432 IAVIOCJIDXRSCS-UHFFFAOYSA-N 325.433 5.092 0 40 EKAB CCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H]1C 36372530 QYKFGQQFZQYMFW-ZJJAWJATSA-N 337.507 5.218 0 40 EKAB CC(C)C[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 38757275 FAGCYJWODLHZBZ-LPHOPBHVSA-N 327.493 5.071 0 40 EKAB Cc1ccc(C)c([C@H](C)NCC(=O)Nc2c(C)cccc2C(C)C)c1 57456770 YAFFIAHOANXRDH-SFHVURJKSA-N 338.495 5.025 0 40 EKAB O=C(Cc1cccs1)Nc1ccccc1Sc1ccccc1 59241561 MLPCGSWBWSYEQM-UHFFFAOYSA-N 325.458 5.081 0 40 EKAB ClC1=C(Cl)[C@@]2(Cl)[C@H]3CC=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100020373 XCJXQCUJXDUNDN-FVTXQLJISA-N 338.876 5.024 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3ccc(Cl)cc3Cl)nc2c1 199797302 SUHRZRRTNZCOMH-UHFFFAOYSA-N 334.246 6.023 0 40 EKAB Cc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2 222631728 JEGNXUWAZOPQKS-MRXNPFEDSA-N 344.842 5.072 0 40 EKAB Cc1ccc2n1-c1ccccc1CN=C2c1cccc(C(F)(F)F)c1 225374659 FBXQPVSNRIRRRB-UHFFFAOYSA-N 340.348 5.156 0 40 EKAB Cc1ccc(N=c2[nH]c3c(s2)CCc2ccccc2-3)cc1Cl 408887942 VDZLSMXJJZIILW-UHFFFAOYSA-N 326.852 5.036 0 40 EKAB C[C@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 2049238339 IECWTSWUVZMVIW-OMNXGBBMSA-N 344.583 6.220 0 40 EKAB Oc1ccccc1C1=Nc2ccccc2N=C(c2cccc(F)c2)C1 509776 FSYXRJQUSCUBFC-UHFFFAOYSA-N 330.362 5.177 0 40 EKAB CC[C@@H](C(=O)Nc1cccc2ccccc12)C1CCC(OC)CC1 3845067 HQUCKMNLLNSLEM-DAWZGUTISA-N 325.452 5.010 0 40 EKAB biogenic CCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 7261699 IGPXXWLIUSDEHD-UHFFFAOYSA-N 338.278 5.462 0 40 EKAB Cc1nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)oc1C 8333072 OKQCNTGTVPLANU-UHFFFAOYSA-N 339.416 5.059 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]12C 12657541 QKSODSWUZYYQJJ-FIPGISJNSA-N 332.572 6.961 0 40 EKAB biogenic C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 14006930 QJRCWUHKOBGVJS-SECBINFHSA-N 344.625 5.053 0 40 EKAB O=C(Nc1ccccc1SC(F)F)c1cc2ccccc2s1 18700207 VEZZNSIXFUOHLC-UHFFFAOYSA-N 335.400 5.468 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C 20493829 JYXURBXUMWUNDF-SFHVURJKSA-N 331.843 5.061 0 40 EKAB Cc1ccc2cccc(OCc3nc(-c4cccs4)oc3C)c2n1 23613685 PMCXVIRIVWUHJF-UHFFFAOYSA-N 336.416 5.147 0 40 EKAB CC(=O)c1c(C)cc(C)c(CN[C@H](c2cccs2)C(C)(C)C)c1C 65564332 UTKOJYRJCJDKSO-HXUWFJFHSA-N 343.536 5.753 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 71760736 RYLBVNOXHAWAHI-UHFFFAOYSA-N 339.291 5.926 0 40 EKAB COc1cc(CNc2ccccc2)ccc1OCc1ccc(C)cc1 106960201 NEURIPQSOFMAAT-UHFFFAOYSA-N 333.431 5.195 0 40 EKAB C[C@]12CC[C@@]3(CS3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CS1 118916203 GIBFGVLFEQJQJA-YRQPXTNQSA-N 348.621 6.000 0 40 EKAB C[C@H]1CCCN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 216799238 CFWKIIWSIDITTH-AWEZNQCLSA-N 340.854 5.380 0 40 EKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCCCCC1 224894957 JPBFNTSKEMNHGH-UHFFFAOYSA-N 346.430 5.025 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225638329 KXIICYHDOIYNET-BTYIYWSLSA-N 347.499 5.016 0 40 EKAB Cc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1 225805979 LHCDWZJFCUQVGH-UHFFFAOYSA-N 326.509 5.038 0 40 EKAB S=c1sc2c(s1)S[C@@H]1[C@H](C[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]13)S2 245230764 YJEUJNZJEIHEBL-OAJPDZBQSA-N 328.574 5.316 0 40 EKAB COc1ccc(-c2coc3c(C)c4oc(=O)c(C)c(C)c4cc23)cc1 95270 HKVFZKOFJAVPOC-UHFFFAOYSA-N 334.371 5.140 0 40 EKAB biogenic CCOC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21 321993 VNVKIKRUHHHYRU-UHFFFAOYSA-N 336.218 5.055 0 40 EKAB CCCSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2366402 ICYGRVNHZJMQSN-UHFFFAOYSA-N 340.517 5.739 0 40 EKAB Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 3898205 NFVFKRBNQAEKOU-QFIPXVFZSA-N 330.406 5.490 0 40 EKAB Clc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1 4336434 HDHUSKBIQNFZAC-NRFANRHFSA-N 349.886 6.698 0 40 EKAB CC(C)Cc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 4719669 UCRDAGGCYLFMLG-UHFFFAOYSA-N 342.895 6.406 0 40 EKAB COc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C 5032944 UWUPUERZJBJDSM-UHFFFAOYSA-N 341.794 5.169 0 40 EKAB Cc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 5332607 JIRCHCTUHSAQQQ-UHFFFAOYSA-N 339.439 5.020 0 40 EKAB Cc1ccccc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 7846857 GNWWPBQSKZXILZ-UHFFFAOYSA-N 329.830 6.531 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(-c2ccccc2)o1 7891040 DFJPLRWJFBXAKW-SNVBAGLBSA-N 335.190 5.183 0 40 EKAB Cc1ccc(C)c(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1 8085087 ZZDDXZPFSQKCFO-IBGZPJMESA-N 326.509 5.377 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1Cl 8270913 LUYONANNRPCSAV-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CCCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 16638781 UFLZMNXXBPTQDJ-UHFFFAOYSA-N 337.250 5.832 0 40 EKAB Cc1ccc(C)c(Oc2nc3ccccc3nc2N2CCCCC2)c1 45900709 SJXHTSBBLUFVEN-UHFFFAOYSA-N 333.435 5.029 0 40 EKAB CCN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)C1CCCC1 70039860 KBFLPBXQJOSZKK-UHFFFAOYSA-N 346.474 5.094 0 40 EKAB Cc1nnc([C@H](C)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 77676160 PIBYTIZMZOCTHG-MGPUTAFESA-N 341.499 5.474 0 40 EKAB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(O)CCCC1=N2 102734687 UGQIPFFUMRLAQH-OAHLLOKOSA-N 349.217 5.504 0 40 EKAB Clc1ccc(N=c2[nH]c3c(s2)CCc2ccccc2-3)cc1Cl 408881627 LSGBTXRHFJERTM-UHFFFAOYSA-N 347.270 5.381 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 145121 ZUCXYLZGMSOWQM-AWEZNQCLSA-N 345.870 5.179 0 40 EKAB Cc1ccc(C(C)C)c(OC(=O)c2sc3ccccc3c2Cl)c1 358481 GTCVKKPMLGSIPX-UHFFFAOYSA-N 344.863 6.206 0 40 EKAB COc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)cc1 427532 OSCYYCIWUCRHJY-UHFFFAOYSA-N 343.430 5.370 0 40 EKAB C=C1c2cc(OC)ccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 580125 DBJXMZGVMOYHSJ-UHFFFAOYSA-N 335.190 5.025 0 40 EKAB Cc1nc2c(-c3ccsc3)cnn2c(C)c1C/C=C/c1ccccc1 1387155 XDFOTSDYMPRRPM-RMKNXTFCSA-N 345.471 5.331 0 40 EKAB CCCOc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1 1806781 UHEWXZDBPPWQNB-UHFFFAOYSA-N 347.462 5.076 0 40 EKAB O=C(c1cn(Cc2ccccc2Cl)c2ccccc12)C(F)(F)F 2126579 OORUBLUKLACUEF-UHFFFAOYSA-N 337.728 5.088 0 40 EKAB O=C(Nc1ncc(-c2ccccc2)s1)c1cccc(C(F)(F)F)c1 4134661 LWUZVRWWGXYZET-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)sc2C)cc1C 4639085 YZYJQXNCWZFRBQ-UHFFFAOYSA-N 338.432 5.177 0 40 EKAB Clc1ccc(/C=C2\c3ccccc3-c3nc4ccccc4nc32)cc1 4896870 HAVYLNSMDRVBKD-QGOAFFKASA-N 340.813 5.853 0 40 EKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1 4970030 SUDYEAGPYBHQJJ-UHFFFAOYSA-N 335.410 5.549 0 40 EKAB CCOc1ccc(-c2onc(C)c2-c2ccc(Cl)cc2)c(O)c1 5450773 VMESRRXQWFPSOJ-UHFFFAOYSA-N 329.783 5.075 0 40 EKAB biogenic Cc1ccc(Nc2nnc(SCc3cccc(Cl)c3)s2)cc1 5624332 LAJLTINXYZYZTK-UHFFFAOYSA-N 347.896 5.536 0 40 EKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2Cl)c1 6396934 GMPCJQKKTIVCNE-UHFFFAOYSA-N 344.842 5.029 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2cccc(F)c2)c2ccccc2)c1 6558027 ZMGJKHXJBNPZTF-NRFANRHFSA-N 348.421 5.234 0 40 EKAB CCCCCCOc1ccc(C(=O)NCCC2=CCCCC2)cc1 6591998 YDZSHIWCYLICHY-UHFFFAOYSA-N 329.484 5.266 0 40 EKAB CCCCCCNCc1cc(Cl)ccc1OCc1ccccc1 7260997 XTRZZOXMVCPEAQ-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB c1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 13122675 KOZJZPGTYYNRAE-CTNGQTDRSA-N 325.415 5.183 0 40 EKAB Cc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)C)cc2)c(C)n1C1CC1 15513352 NYVQHAMJDZARRS-UDWIEESQSA-N 332.447 5.353 0 40 EKAB c1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)cc1 16480613 BZPOPJZJFIFJCR-UHFFFAOYSA-N 345.486 5.841 0 40 EKAB Cc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 19647341 LONFWFSHCXRZNA-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(C)cc1 20495341 UYZIJRSANRVBAC-VGSWGCGISA-N 347.458 5.183 0 40 EKAB CCc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)s1 25862730 RWWXAZYUZSFPKO-UHFFFAOYSA-N 331.462 5.118 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 30758597 UNGCWPQEQYUMBF-HNNXBMFYSA-N 329.399 5.385 0 40 EKAB CCOc1ccc(-c2nc(CSc3nc(C)cs3)cs2)cc1 32956539 CZLTUWLJUYLUGM-UHFFFAOYSA-N 348.518 5.266 0 40 EKAB CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 34206302 LOIJVPAEVNFVAS-RZPSBMFSSA-N 344.495 5.052 0 40 EKAB in-vitro c1ccc(-c2ccc(CSc3nc4ccccc4s3)cc2)cc1 59461534 OPXQJYSHOQQUAP-UHFFFAOYSA-N 333.481 6.256 0 40 EKAB Cc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)nc1 67321967 DYVRZPQRHVIIBF-UHFFFAOYSA-N 346.253 5.020 0 40 EKAB Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](C)c1nc(-c2ccncc2)cs1 90046102 RUGWQYOAUPOORM-RVKKMQEKSA-N 349.503 5.413 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C)cc1C 113970264 LRRHYXRBHINZRU-GOSISDBHSA-N 331.843 5.061 0 40 EKAB O=C(CCSc1ccccc1)Nc1ccc2c3c(cccc13)CC2 223417485 CXWWHFVMZFQOTH-UHFFFAOYSA-N 333.456 5.059 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 225199901 AAWXMPZVDYVKNV-UHFFFAOYSA-N 329.443 5.127 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1C 225713330 WEOPVYFAINJSKV-SFHVURJKSA-N 326.509 5.358 0 40 EKAB CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2C)cc1 225714155 OGRBPKXDIMGBJP-LJQANCHMSA-N 342.508 5.140 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225746375 BRUBCHANNDUBIX-UTKZUKDTSA-N 349.515 5.486 0 40 EKAB CCCCC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575242879 LZGMOGMMGHCMMY-UHFFFAOYSA-N 329.443 6.529 0 40 EKAB Brc1cccc2c1Nc1c(Br)cccc1O2 1857794847 NHNXFPAFMPRREB-UHFFFAOYSA-N 341.002 5.061 0 40 EKAB Cc1cc(Nc2ccccc2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 2033970177 SIKUJSSZFANTDE-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB Cc1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)cc1C 190073 OYBXDAHBPJKQHZ-UHFFFAOYSA-N 330.383 5.147 0 40 EKAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 315158 GXKCWOWAHZTVLE-HXUWFJFHSA-N 348.833 5.420 0 40 EKAB COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1 427555 XNLUPQFAWFFJOL-UHFFFAOYSA-N 343.430 5.370 0 40 EKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(Cl)cc1 478019 KVEWQXKJXPIPAF-UHFFFAOYSA-N 348.185 5.176 0 40 EKAB CCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 932665 MDXJYWVERUXKAT-UHFFFAOYSA-N 336.460 5.062 0 40 EKAB COc1cnc(-c2ccccc2)nc1Oc1ccc(C(C)(C)C)cc1 1383981 UVTPQMAVSUAXIZ-UHFFFAOYSA-N 334.419 5.242 0 40 EKAB COCc1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 1388782 HAOJCFKWDMOKPJ-UHFFFAOYSA-N 344.867 5.038 0 40 EKAB Cc1ccc(Sc2ncnc3sc4c(c23)CCCCC4)cc1 1895407 QUUGXIDKPZAFGX-UHFFFAOYSA-N 326.490 5.420 0 40 EKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2ccccc2s1 3279528 ZDFGUJBAJYHXPP-UHFFFAOYSA-N 344.439 5.145 0 40 EKAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 3325723 IBWFHMGXBXFBAA-QFIPXVFZSA-N 345.442 5.074 0 40 EKAB COc1ccc(C)cc1Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 3330060 YVNYQVSPOQFAEG-UHFFFAOYSA-N 349.459 5.660 0 40 EKAB CCCCOc1cc(OCCCC)c2c3c(c(=O)oc2c1)CCCC3 3892465 ISMJLUWOUYQCMB-UHFFFAOYSA-N 344.451 5.030 0 40 EKAB biogenic CCn1c(SCc2ccccc2F)nnc1-c1ccccc1Cl 5478698 GECANZMXFOGILR-UHFFFAOYSA-N 347.846 5.050 0 40 EKAB Cc1ccc2c(CC(=O)Nc3ccc(-c4nccs4)cc3)coc2c1 7990751 YTCVHEKBZCFZBO-UHFFFAOYSA-N 348.427 5.046 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 10111764 UAAPIZMRDBYNIE-CVEARBPZSA-N 341.520 5.342 0 40 EKAB COc1ccc(-c2c/c(=N\c3ccccc3)c3ccccc3o2)cc1 12654524 CNRRICBNCABZSD-BSYVCWPDSA-N 327.383 5.341 0 40 EKAB biogenic Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1C 14401204 KAAOSKKIXRLWPB-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB c1ccc(/N=c2/sc3ccccc3nc2Nc2ccccc2)cc1 17255864 ISCMDEIRBRBVTR-LSDHQDQOSA-N 329.428 5.272 0 40 EKAB CCCc1cc(Nc2cccc(C)c2)n2ncc(-c3ccccc3)c2n1 27585130 BNPFLZWONGEVTP-UHFFFAOYSA-N 342.446 5.401 0 40 EKAB O=C(c1cccs1)N(Cc1cccs1)c1ccccc1Cl 27664008 KEJNULSRIJRFBB-UHFFFAOYSA-N 333.865 5.310 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1 39968799 XUFVYCIQIDOJGS-SFHVURJKSA-N 346.927 5.703 0 40 EKAB Cc1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)oc2ccccc12 84068143 KARMQBJJLIIEGO-UHFFFAOYSA-N 348.402 5.432 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(C)=O 98045326 RKNFFTAYULCRTQ-SHDWVJIKSA-N 332.528 6.695 0 40 EKAB O=C(CCc1cccc2ccccc12)Nc1ccccc1C(F)(F)F 222662586 DYUNLYQLSRUFGZ-UHFFFAOYSA-N 343.348 5.430 0 40 EKAB CC[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C)c(C)c1 225709518 MEUJYLPHSUIYQD-QGZVFWFLSA-N 332.900 5.395 0 40 EKAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 225753567 XMIOOBAWBCHZEV-LBPRGKRZSA-N 338.398 5.061 0 40 EKAB Cc1cc(Oc2ccc(C(C)(C)C)cc2)nc(NCc2ccccc2)n1 535975 KPQCMXHDSZTRJW-UHFFFAOYSA-N 347.462 5.487 0 40 EKAB Cc1cc(O)c(C(C)C)cc1NCNc1cc(C(C)C)c(O)cc1C 1665044 BERXOZRZNHVRPI-UHFFFAOYSA-N 342.483 5.443 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2cccc(Cl)c2C)c(C)c1 1914084 UDSWJPSVVNHNRE-UHFFFAOYSA-N 331.843 5.063 0 40 EKAB Clc1ccc2oc(Nc3ccc4oc5ccccc5c4c3)nc2c1 2645067 SZTLLQYWOQSIEV-UHFFFAOYSA-N 334.762 6.124 0 40 EKAB O=C(CCC1CCCC1)Nc1nc(-c2ccc(Cl)s2)cs1 3357258 MGKISALUDDVAQP-UHFFFAOYSA-N 340.901 5.434 0 40 EKAB Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCC12CC3CC(CC(C3)C1)C2 3996590 CKZSEFSPKWEWQI-YFZSMNHSSA-N 348.534 5.660 0 40 EKAB CCN(CC)Cc1oc2ccc(Cl)cc2c1-c1ccc(OC)cc1 4350609 ZLTHTRIDKMSGMU-UHFFFAOYSA-N 343.854 5.604 0 40 EKAB CCc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 5667446 RZTIESMAUHUGSG-NRFANRHFSA-N 347.483 5.721 0 40 EKAB Fc1ccc(-c2csc(/C=C/c3c(F)cccc3Cl)n2)cc1 6047861 CHUOHCCLQTWFGL-CMDGGOBGSA-N 333.790 5.912 0 40 EKAB COc1cc(-c2nc3ccccc3s2)cc(Cl)c1OC(C)C 6345615 QEKZSJKWNQLFHI-UHFFFAOYSA-N 333.840 5.413 0 40 EKAB c1ccc(-c2csc(SCc3cc(-c4ccco4)on3)n2)cc1 7288578 QVHYEPDUJRLZDW-UHFFFAOYSA-N 340.429 5.350 0 40 EKAB COc1ccc(-c2ccc(CNCc3ccc(F)cc3)o2)cc1Cl 7539627 YJMMTNIRHILAIF-UHFFFAOYSA-N 345.801 5.038 0 40 EKAB Brc1ccc(CSc2ncc(-c3ccccc3)[nH]2)cc1 8770010 UXKHYDGIOQDYAG-UHFFFAOYSA-N 345.265 5.132 0 40 EKAB CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1C 13582422 RMQAMRLZLRWMRF-UHFFFAOYSA-N 347.414 5.438 0 40 EKAB O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1cccs1 29797127 BSCCYXSWEBHWKO-ZDUSSCGKSA-N 326.248 5.032 0 40 EKAB COc1ccc(C)cc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 32911659 SBACNGQDBAKBOQ-UHFFFAOYSA-N 349.217 5.044 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)Nc1ccccc1C(F)(F)F 51354242 LQCIPMINQLWSAH-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB Cc1ccc2cc(CNc3cc(Cl)ccc3Cl)c(=O)[nH]c2c1C 57577694 QQBGBRBXZIBFBI-UHFFFAOYSA-N 347.245 5.064 0 40 EKAB CC(C)N(c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1)C(C)C 72212945 BGFSMTYDTASUBW-NRFANRHFSA-N 337.511 5.042 0 40 EKAB CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 409102753 ZWIMEFCMUWNVSM-UHFFFAOYSA-N 347.846 5.229 0 40 EKAB Fc1cc(C(F)(F)F)cc(F)c1Oc1c(F)cccc1Cl 1504250464 QRFRAENANMXOEK-UHFFFAOYSA-N 326.623 5.568 0 40 EKAB Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1 484176 VACWAGUGGDBUFL-UHFFFAOYSA-N 344.458 5.082 0 40 EKAB Oc1ccccc1-c1nc(Oc2ccc(Cl)cc2)c2ccccc2n1 544926 CLQXRJJTTULHEH-UHFFFAOYSA-N 348.789 5.448 0 40 EKAB Nc1c(Cl)cc2oc(-c3ccc(Cl)cc3Cl)nc2c1Cl 570201 MJTDVFQBEVEONP-UHFFFAOYSA-N 348.016 5.691 0 40 EKAB CCCCN(CCCC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 1595268 BPNIKIQENLJVAF-FCHUYYIVSA-N 325.496 5.364 0 40 EKAB COc1ccc([C@@H](CCNCc2ccccc2)Cc2ccccc2)cc1 1831925 WQXVARGDPNMMCD-QHCPKHFHSA-N 345.486 5.201 0 40 EKAB Oc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)cc1 3096757 VDBWPNNCGMJOQV-QHCPKHFHSA-N 327.427 6.040 0 40 EKAB CCCCCCC(=O)Nc1ccc(NC(=O)CCCCCC)cc1 5297522 DGXCLENSMWRSAO-UHFFFAOYSA-N 332.488 5.504 0 40 EKAB O=C(Cc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 5673450 QHBNZKDPKOBMLB-UHFFFAOYSA-N 348.151 5.193 0 40 EKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(F)cc1 6028758 ODCVDLXRJQVDNB-LLVKDONJSA-N 339.395 5.210 0 40 EKAB O=C(CCc1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 10457611 SJKSLPFVMDLDLM-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB C[C@@H](CC1CCCCC1)NCCC(c1ccccc1)c1ccccc1 11679611 HTAFVGKAHGNWQO-FQEVSTJZSA-N 335.535 6.157 0 40 EKAB in-man CCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13030866 IWRDPHIBMQGGSG-LJQANCHMSA-N 348.534 6.577 0 40 EKAB CC(C)(C)c1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1 19927801 TXUPTCBECVQAMX-UHFFFAOYSA-N 333.460 5.422 0 40 EKAB O=C(CSc1cccc2ccccc12)Nc1ccccc1Cl 32692488 MLZLOVIPNBABFV-UHFFFAOYSA-N 327.836 5.224 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 36806557 OSDCBBTXXYVIKD-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB c1ccc(CN2CCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 72212188 AOEPZOUJRNXPSR-OAQYLSRUSA-N 330.431 5.211 0 40 EKAB CCOc1ccc(Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)cc1 96305948 NJRQLDNJLNCGQJ-UHFFFAOYSA-N 349.459 5.742 0 40 EKAB Cc1ccc(Cl)c(O[P@](C)(=O)Nc2cc(Cl)ccc2C)c1 100808267 MLRZWQZVSAVAON-NRFANRHFSA-N 344.178 5.924 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1C 225707890 QUSOZWKIIFYMRI-INIZCTEOSA-N 342.508 5.138 0 40 EKAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(c3cccnc3)=CC[C@@H]12 575626360 GZOSMCIZMLWJML-HEZDJTGRSA-N 349.518 5.399 0 40 EKAB biogenic Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(F)cc1)c1ccccn1 141278 HYKOICNXDXPVSZ-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB Cc1ccc(OCCn2cc(C(=O)C(C)C)c3ccccc32)cc1C 560880 PCGSMWAHXQIQBV-UHFFFAOYSA-N 335.447 5.176 0 40 EKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 562722 PBHOXAUMJWNZMR-UHFFFAOYSA-N 337.806 5.693 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)C2CCCC2)cc1 3334286 XYIXPSPPFIQNQJ-UHFFFAOYSA-N 325.408 5.006 0 40 EKAB Cc1ccc(C(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 3441765 KPVAMJRCFGIMAY-CQSZACIVSA-N 327.493 5.021 0 40 EKAB Cc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1C 4703323 NZJDBIWZSOJEMS-UHFFFAOYSA-N 346.455 6.138 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2C)N3)C1 6706967 NJQLWEYGWBLIBX-SJKOYZFVSA-N 326.465 5.000 0 40 EKAB Cc1ccc(C)c(NC(=S)N[C@H](CC(C)C)c2ccccc2)c1 8085090 ZZDDXZPFSQKCFO-LJQANCHMSA-N 326.509 5.377 0 40 EKAB C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1F 12786237 HKEYFUKAADEGJK-JTQLQIEISA-N 333.815 5.185 0 40 EKAB Cc1cc(-c2ccc(N(C)C)cc2)cc(-c2ccc(N(C)C)cc2)[o+]1 16382792 CZBMOMFQXSNOCN-UHFFFAOYSA-N 333.455 5.335 0 40 EKAB Clc1ccccc1COc1ccccc1CNCc1ccccc1 16480161 HSHXIQYGMMIIKZ-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB Cc1cc(C)c(NC(=O)Nc2cccc(Br)c2)c(C)c1 51354318 NYAHQRCQIKVFDZ-UHFFFAOYSA-N 333.229 5.018 0 40 EKAB CC(C)c1nc2cc(N[C@@H](C)c3nnc(-c4ccccc4)o3)ccc2o1 65563575 ZAPRXIXUUGEORT-ZDUSSCGKSA-N 348.406 5.174 0 40 EKAB CC(C)c1nc([C@H](C)NCc2csc(-c3cccs3)n2)cs1 76900542 QNOJVGDKCSSIOB-NSHDSACASA-N 349.550 5.302 0 40 EKAB Cc1c(Cl)cccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)O 225072248 DEXNOEKMHOMIAV-HNNXBMFYSA-N 341.259 5.090 0 40 EKAB COc1cc(C)c(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1C(C)C 225665694 ZMNJJBPZHMSTRJ-KRWDZBQOSA-N 339.479 5.235 0 40 EKAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cc2ccccc2o1 390829706 GAKQCBIJFHNTCK-QGZVFWFLSA-N 339.441 5.075 0 40 EKAB Cc1ccc(CO[C@H]2C[C@@H](C)S[C@H]3C=CC(Cl)=C[C@H]23)c(C)c1 4110307 GOYSMGSBVGBIAH-OAOYMFHYSA-N 334.912 5.391 0 40 EKAB Cc1cccc(-c2nnc(S[C@@H](C)c3ccccc3Cl)o2)c1 5434711 QOWXIXLASKYHBV-LBPRGKRZSA-N 330.840 5.552 0 40 EKAB FC(F)(F)c1ccc(Oc2ccc3c(c2)[nH]c2ccccc23)nc1 5687514 UMMMXYHITZOFLE-UHFFFAOYSA-N 328.293 5.527 0 40 EKAB COc1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)c(O)c1 6247802 PKWMYRCXTBRBLR-UHFFFAOYSA-N 342.398 5.046 0 40 EKAB CCCC(=O)c1cn(CCCOc2ccc(C)cc2)c2ccccc12 6417532 CPDDUSLEIVAQER-UHFFFAOYSA-N 335.447 5.402 0 40 EKAB CCCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 7261077 OGHZTJZSKMIGSJ-UHFFFAOYSA-N 345.458 5.083 0 40 EKAB C[C@@H](O)c1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1 7541233 VWNFXIXYDVFQRI-MRXNPFEDSA-N 327.468 5.202 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc2ccccc2c1 11038715 YVBIJTVCPOFLKM-AWEZNQCLSA-N 338.838 5.241 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1 11915872 IZOBZOMOOXGJKG-UHFFFAOYSA-N 325.408 5.043 0 40 EKAB Cc1ccc(-n2cc(-c3ccc(Cl)cc3Cl)[nH]c2=S)c(C)c1 12523732 CDDQTEPFZAMLNU-UHFFFAOYSA-N 349.286 6.126 0 40 EKAB CCCCOc1ccccc1NCCOc1ccc(C(C)C)cc1 19738481 TXQFIRYJSXFYKS-UHFFFAOYSA-N 327.468 5.480 0 40 EKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc3ccccc23)c1 19932691 CTAIWRPOVKJDFQ-QGZVFWFLSA-N 333.431 5.171 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1 22513105 BMFWGOIUPMYZMG-MAUKXSAKSA-N 345.870 5.011 0 40 EKAB Clc1ccccc1NN(Cc1ccccn1)c1ccccc1Cl 37868681 CZQPBYNQKJYXJR-UHFFFAOYSA-N 344.245 5.422 0 40 EKAB in-vitro CC[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 57990939 SMZOBZQZYVOULC-OAHLLOKOSA-N 330.840 5.633 0 40 EKAB CC[C@@H](c1ccc(F)cc1F)[S@](=O)Cc1ccc(Cl)s1 95960693 NDIQWPADYUEXOI-RBZFPXEDSA-N 334.840 5.080 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(Oc3ccccc3)cc2)C1 102159985 WRDJGRFGSJWADX-FDDCHVKYSA-N 349.474 5.520 0 40 EKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COC(C)C 224424112 IYKLUOJSLWAJRH-UHFFFAOYSA-N 349.430 5.026 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 225763126 UCTNBJNSGAXZDS-FQEVSTJZSA-N 340.536 5.604 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCC(=O)O 256088339 MBMBGCFOFBJSGT-JSSIFUHTSA-N 328.496 6.549 0 40 EKAB in-vitro CC[C@H](C(=O)c1ccc(OC(F)(F)F)c(F)c1)c1ccccc1 575360954 UZHMGNZYUZBRRO-ZDUSSCGKSA-N 326.289 5.101 0 40 EKAB Cc1c(Cl)cccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 147125 FVDKYRCCPRJNNB-CMDGGOBGSA-N 340.637 5.607 0 40 EKAB CCOC(=O)/C=C(\C)Nc1cc2cc(-c3ccccc3)n(C)c2cc1C 1442435 RDJAQPOUDGQSJS-FOWTUZBSSA-N 348.446 5.033 0 40 EKAB CCCC[C@@H](CC)CNC(=O)CCCOc1ccc(Cl)c(C)c1 1787168 QDEPXCRMQUEGIP-MRXNPFEDSA-N 339.907 5.140 0 40 EKAB Cc1ccc2oc(-c3ccccc3)c/c(=N\Cc3ccccc3)c2c1 1805877 NHYRWGGYMFIDQA-DARPEHSRSA-N 325.411 5.509 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1 5951225 XOKKXBHBVGDBFJ-UHFFFAOYSA-N 325.452 5.460 0 40 EKAB Fc1ccc([C@@H](CCNc2nccs2)c2ccc(Cl)cc2)cc1 6764589 BRSPFKPWBHGLKD-KRWDZBQOSA-N 346.858 5.570 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 8050721 HWYNBKRIZHUDGR-LJQANCHMSA-N 345.870 5.479 0 40 EKAB Cc1cccc(OCCCC(=O)Nc2cc(Cl)ccc2Cl)c1 8128986 XBOOUELGGGXHMS-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cs1 9044297 HFTUYKYVCIDUEH-UHFFFAOYSA-N 329.812 5.108 0 40 EKAB CC(C)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 11328904 HKHWVISPHLEJGG-UHFFFAOYSA-N 334.419 5.036 0 40 EKAB Cc1ccc(C2=Nc3ccccc3N=C(c3cccs3)C2)c(O)c1 13122472 GKEQRDVGBQYPBW-UHFFFAOYSA-N 332.428 5.407 0 40 EKAB aggregator CCc1ccccc1NC(=S)N[C@H](C)c1ccc(C(C)C)cc1 13931843 VCMYNJYSDVZQBI-OAHLLOKOSA-N 326.509 5.420 0 40 EKAB Cc1ccc(O[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C 33327218 SIQPOWQIMJTMGW-LLVKDONJSA-N 335.234 5.627 0 40 EKAB Cc1ccc(Sc2ccc3[nH]cc4c3c2C(=O)c2ccccc2-4)cc1 36559050 MQBQNAPBNYQQBY-UHFFFAOYSA-N 341.435 5.839 0 40 EKAB CN(C(=O)c1ccc2ccccc2n1)C1CCC(c2ccccc2)CC1 40070343 TXAFLVLFMBTLCZ-UHFFFAOYSA-N 344.458 5.033 0 40 EKAB CCCN(CCC)c1ccc(C(=O)Nc2cccc3cccnc23)cc1 59520238 LLBYEAZDSNODBS-UHFFFAOYSA-N 347.462 5.114 0 40 EKAB CSc1cccc(NC(=S)Nc2ccc(F)cc2Cl)c1 71761364 WNKFCMPDQVOBNN-UHFFFAOYSA-N 326.849 5.010 0 40 EKAB Cc1ccc(-c2cc(Cl)nc(Cc3ccc(Cl)cc3)n2)cc1 78401376 WLUVGXDYHDDGLK-UHFFFAOYSA-N 329.230 5.350 0 40 EKAB S=C(Nc1ccc(Cl)cc1)NC1(c2ccccc2)CCCC1 225844930 HIDPNBDNUCAGSA-UHFFFAOYSA-N 330.884 5.096 0 40 EKAB Cc1cccc(NCc2cccc(OCc3cccc(Cl)c3)c2)c1 409111464 CJFMSUJWBFJOKM-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CC[C@H](C(=O)c1cc(Cl)cc(Cl)c1Cl)c1ccccc1 575361626 ZTLVOWBLHFRDJK-LBPRGKRZSA-N 327.638 6.023 0 40 EKAB O=C(Cc1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 363347 SBWOHOPPKGFPMC-UHFFFAOYSA-N 330.214 5.328 0 40 EKAB Clc1ccc(-c2oc(-c3ccc(Cl)cc3)c3ccccc23)cc1 1577319 XEKONIYEODUVHB-UHFFFAOYSA-N 339.221 7.074 0 40 EKAB CCCCCCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 2126531 CKWHPWCBDJPSRS-UHFFFAOYSA-N 326.436 5.896 0 40 EKAB biogenic CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1c1ccccc1 3178964 HDCNVEMVJVSOGW-UHFFFAOYSA-N 345.491 5.437 0 40 EKAB O=C(C1CC1)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 3344994 JSEAOZFBPQVRLF-UHFFFAOYSA-N 338.407 5.024 0 40 EKAB CCCCOC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC 3875590 AVOLBYOSCILFLL-INIZCTEOSA-N 334.456 5.017 0 40 EKAB biogenic Clc1ccc(CSCCCCO[C@H]2CCCCO2)cc1Cl 4288871 GOGXMMDKEWLTBV-INIZCTEOSA-N 349.323 5.550 0 40 EKAB COc1cccc(CNc2ccc3c(c2)oc2ccccc23)c1OC 4622021 RQJUFITZRKVEJN-UHFFFAOYSA-N 333.387 5.215 0 40 EKAB Cc1cc(C)c(NC(=O)CCCCCNC2CCCCC2)c(C)c1 4893733 AGINOAVRERDORS-UHFFFAOYSA-N 330.516 5.033 0 40 EKAB CCn1cc(NC(=O)N(Cc2ccccc2)C(C)C)c2ccccc21 5265899 KCZCZLZZZJIYBL-UHFFFAOYSA-N 335.451 5.104 0 40 EKAB Cc1cc(C)c2nc(NC(=O)Cc3cccc4ccccc34)sc2c1 5923759 UCGUVDYLNXMKBC-UHFFFAOYSA-N 346.455 5.248 0 40 EKAB CC(=O)c1ccc(OC(=O)CC(c2ccccc2)c2ccccc2)cc1 6153171 ZOMLVTHSAOSZFT-UHFFFAOYSA-N 344.410 5.017 0 40 EKAB CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 6964418 AXHCNIRIMNKRLF-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1C(C)(C)C 12809030 QUUOYJFKHLSPNL-UHFFFAOYSA-N 348.446 5.129 0 40 EKAB C[C@]12CC[C@]3(CS3)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 14904283 NHSADEZTTCEMTD-LHYDXMHHSA-N 334.569 5.266 0 40 EKAB biogenic CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 20458025 REZRFJHXKKPKNH-JTSKRJEESA-N 347.458 5.183 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc2ccccc12 44904089 KDWDZBLJXNDBGD-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB Cc1cc(C)cc(Oc2nc3ccccc3nc2N2CCCCCC2)c1 45900777 MKZSPWUQNJUOFG-UHFFFAOYSA-N 347.462 5.419 0 40 EKAB CC(C)N(Cc1cccnc1)C(=O)c1sc2ccccc2c1Cl 47423159 ZSUCYRBHRGRXFI-UHFFFAOYSA-N 344.867 5.001 0 40 EKAB Fc1cc(SCc2ccc(Br)cc2)ccc1Cl 95733405 FKQKGEMYCXAFJQ-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB CC[C@H](c1ccc(F)cc1F)[S@](=O)Cc1ccc(Cl)s1 95960694 NDIQWPADYUEXOI-XCLFUZPHSA-N 334.840 5.080 0 40 EKAB CC1=C[C@H](C)[C@@H]2CO[C@H](c3ccccc3OCc3ccccc3)[C@@H]1[C@@H]2C 104094862 DUWXMXJIRAGQTJ-NSZXSFTFSA-N 348.486 5.801 0 40 EKAB CCc1cc(-c2onc(C)c2-c2cc3ccccc3o2)c(O)cc1OC 125056 AYCXNHTZWOAULZ-UHFFFAOYSA-N 349.386 5.340 0 40 EKAB Clc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1Cl 499807 VSKANUIWXGJQLV-UHFFFAOYSA-N 344.245 5.204 0 40 EKAB CC[C@]1(C)C[C@@](CCN(Cc2ccccc2)C(C)=O)(C(C)C)CCO1 2109261 LVLYBTXEWVKWEA-YADHBBJMSA-N 345.527 5.047 0 40 EKAB biogenic CCCCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 2518096 ISNMWMYSMHCGEZ-UHFFFAOYSA-N 332.484 5.171 0 40 EKAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccc2ccccc2c1 3284518 XLBREIFGAHKUMP-UHFFFAOYSA-N 331.198 5.295 0 40 EKAB O=C(c1ccc(Cl)cc1)c1ccc(OC/C=C/c2ccccc2)cc1 3356350 GVBAVVDGYYXIFQ-QPJJXVBHSA-N 348.829 5.663 0 40 EKAB Cc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1C 4678931 FCTDHXNSJLZBCW-UHFFFAOYSA-N 343.833 5.109 0 40 EKAB Nc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)cc1 5581682 ARBIJFULXIRXDL-NRFANRHFSA-N 346.455 5.332 0 40 EKAB CCSc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 6439973 ABMWVCKFFHUTQC-UHFFFAOYSA-N 326.248 5.358 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2cc(C)ccc2C)c(C)c1 7718701 QWTOYLFEEIVRMD-QGZVFWFLSA-N 327.493 5.348 0 40 EKAB CCc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 9141200 IXIRORDVBAKRLM-UHFFFAOYSA-N 330.840 5.073 0 40 EKAB O=C(c1ccco1)N1CC[C@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 11859832 ZELKVBCDHILATF-ILZDJORESA-N 343.854 5.035 0 40 EKAB Cc1cccc(-c2cc(Nc3cccc(C(F)(F)F)c3)nc(C)n2)c1 15859102 SABGBKLUOWWXIP-UHFFFAOYSA-N 343.352 5.523 0 40 EKAB Clc1ccccc1COc1cccc(CNCc2ccccc2)c1 16480140 RNSBBQLUZZAPFO-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)c1 20456653 POVJLBRVQDEYGL-MRXNPFEDSA-N 343.426 5.694 0 40 EKAB Cc1cc(Br)ccc1C(=O)c1ccc(C(C)(C)C)cc1 36829421 ZDFJIZHMFVGENQ-UHFFFAOYSA-N 331.253 5.286 0 40 EKAB CCCOc1ccc(Br)cc1CNc1ccccc1C 37216319 LWCZVSPKVQVDFQ-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1ccc(F)cc1 58168075 CRNRSCVEHBFHSU-QHCPKHFHSA-N 332.484 5.189 0 40 EKAB c1ccc(CN2CCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 72214127 RSEXDVJIRPNPGM-OAQYLSRUSA-N 329.447 5.162 0 40 EKAB Cc1ccc2nc(-c3cccc4c(Br)cccc34)[nH]c2c1 73639190 JFXLTXWFDYGICC-UHFFFAOYSA-N 337.220 5.454 0 40 EKAB c1ccc(C2(c3ccccc3)OCc3ccccc3-n3cccc32)cc1 98174895 JXCDEPIXWCPPNL-UHFFFAOYSA-N 337.422 5.299 0 40 EKAB CC(C)Oc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C 101468769 STFRIXVSUWOBCS-UHFFFAOYSA-N 327.306 5.831 0 40 EKAB Cc1c(Cl)cccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225070896 QQKMSUKUVWDRTK-SFHVURJKSA-N 346.854 5.021 0 40 EKAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCCC1 225658045 ZDFGJSWBDVHIPV-UHFFFAOYSA-N 347.499 5.098 0 40 EKAB CCN(Cc1cccc(Br)c1)c1ccc(Cl)c(F)c1 585090199 KIFRATYVOSVSFZ-UHFFFAOYSA-N 342.639 5.268 0 40 EKAB CCCC[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1ccccc1 2361018 ADZVWLLNCYUOKA-PKTZIBPZSA-N 349.518 6.008 0 40 EKAB Clc1cccc(Cc2cnc(Nc3ccccc3)s2)c1Cl 3195737 OWNYDIPVPRZXFA-UHFFFAOYSA-N 335.259 5.784 0 40 EKAB CCCCCCc1ccc(-c2csc(N3CCCC3=O)n2)cc1 3281671 BFODFZDPHKVHCS-UHFFFAOYSA-N 328.481 5.060 0 40 EKAB CCc1cc2c(cc1[C@]1(C)OCC[C@@H](C)O1)C(C)(C)CCC2(C)C 4589068 CTSMPXQDFPRJET-IVZQSRNASA-N 330.512 5.596 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCCO 5510367 LGEQQWMQCRIYKG-BJCBFJDFSA-N 347.543 5.241 0 40 EKAB COC(=O)c1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1 5788786 ANHKRUYKJZIZKU-MDWZMJQESA-N 345.423 5.407 0 40 EKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1C(C)C 12915055 RTBJCTYNNCOSLY-UHFFFAOYSA-N 342.489 5.556 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)c(C)c1 13931397 KUZFTMQSEXCOTG-AWEZNQCLSA-N 332.900 5.313 0 40 EKAB Cc1cccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 17072067 IDGKYZOTLKMATC-UHFFFAOYSA-N 346.380 5.793 0 40 EKAB Fc1cccc(F)c1NC(=S)Nc1ccc(Cl)cc1Cl 19075137 JNHNEGAUYQRYNY-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB O=C(Nc1cccc2ccccc12)c1cc2c(ccc3ccccc32)o1 20241915 KVZZGWCPDRNYRA-UHFFFAOYSA-N 337.378 5.992 0 40 EKAB Cc1nc(SCc2ccc(C(C)C)cc2)n(C[C@H]2CCCO2)c1C 32719399 QMVYIQCUFNDFNV-LJQANCHMSA-N 344.524 5.095 0 40 EKAB CC(C)[C@H](NCc1csc(-c2ccsc2)n1)c1cccs1 32764885 BHWYUNYYRQZXRA-HNNXBMFYSA-N 334.535 5.420 0 40 EKAB COc1ccc(-c2nc3sccn3c2Nc2ccccc2C)cc1 35622684 KZCKBKGJYQGYNT-UHFFFAOYSA-N 335.432 5.123 0 40 EKAB CCSc1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 44948748 LWRIYQMNCKBJII-UHFFFAOYSA-N 345.533 5.287 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 51354193 IGXJFLXNYNUOBV-UHFFFAOYSA-N 342.748 5.620 0 40 EKAB Cc1oc(-c2ccc(Cl)cc2)cc1-c1nnc(-c2cccnc2)o1 75149074 CXONAOYYODBUAV-UHFFFAOYSA-N 337.766 5.020 0 40 EKAB CSc1cccc(NC(=O)CCc2c(Cl)cccc2Cl)c1 225349131 NPZFCTIMWRFEKZ-UHFFFAOYSA-N 340.275 5.287 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C)c1 225704516 BTYPFLPJADIGDS-NRFANRHFSA-N 349.515 5.488 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C)c(C)c1 225709582 UTMMOFZUVGEPQU-QGZVFWFLSA-N 332.900 5.395 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225746636 MXGJXKDCYNZWCC-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB CCc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1 225760420 HFWXYSQJFAGOIM-IBGZPJMESA-N 326.509 5.241 0 40 EKAB O[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2 226296870 KNSJHROVXCUFJK-HXUWFJFHSA-N 341.237 5.646 0 40 EKAB CCCc1sc(NC(C)=O)nc1-c1ccc(Cl)c(Cl)c1 408825995 KHNORIBTHHDVAB-UHFFFAOYSA-N 329.252 5.028 0 40 EKAB CC[C@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 575357550 KSLNLQSIJIGABJ-QFIPXVFZSA-N 330.427 5.642 0 40 EKAB CCOC(=O)Nc1cccc2ccc(-c3cnc4ccccc4c3)nc12 111716 XOJUVBIRXVJCFN-UHFFFAOYSA-N 343.386 5.018 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)c(C)c1 175147 FLUNIJPSDPAIJE-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Cc1ccn2c(-c3csc(Nc4ccccc4C)n3)c(C)nc2c1 1025793 CDIFWCCHUGXHCK-UHFFFAOYSA-N 334.448 5.127 0 40 EKAB C[C@H]1CC(C)(C)C[C@@](OCCN2CCCCC2)(c2ccccc2)C1 1621633 SEINAULMIKRPHQ-SIKLNZKXSA-N 329.528 5.231 0 40 EKAB in-vitro Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc(OC(F)F)cc1 3332945 AMJXVDKSQINLHK-UHFFFAOYSA-N 334.362 5.113 0 40 EKAB Fc1ccc(C2=NN(c3cccc(F)c3)[C@@H](c3cccs3)C2)cc1 4357010 FJQKTFRQEZZKIV-GOSISDBHSA-N 340.398 5.382 0 40 EKAB Cc1ccc(-c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)o2)cc1 4785670 JHPWBVOTMKQHBU-UHFFFAOYSA-N 332.399 6.238 0 40 EKAB CC1=CC[C@H]([C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 4832274 WNJQFPUJKIPERU-PBNJOUANSA-N 326.480 5.830 0 40 EKAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl 7164727 ZTGMZJAIFOJNNX-UHFFFAOYSA-N 348.185 5.005 0 40 EKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CC[C@@H](C)C3)cc1 12610090 BIHFKYQPQSJABS-OAHLLOKOSA-N 347.527 6.275 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27992684 KTZKDTSNWYLYED-UHFFFAOYSA-N 338.382 5.031 0 40 EKAB Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 67219619 MXEXRDWUTLYDSA-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB Nc1cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc(Cl)c1Cl 73634773 SWVAZCCKRMBHPX-UHFFFAOYSA-N 347.032 5.426 0 40 EKAB CCc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 96171147 RMKWMNLLKPNSLC-UHFFFAOYSA-N 342.748 5.565 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCCN 96306274 DLHLOYYQQGSXCC-CGRWFSSPSA-N 347.543 5.634 0 40 EKAB CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 96653734 SNBQDFBASJLHHJ-UHFFFAOYSA-N 343.854 5.239 0 40 EKAB c1ccc(C/N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1 100058721 UAXUVQPKUIOEFF-GHVJWSGMSA-N 342.467 5.307 0 40 EKAB CC[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(C)cc1 225485395 KQEHGGQUUOUAML-IBGZPJMESA-N 342.508 5.220 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)cc1C 225713537 GBGKLNVERUAIOX-IBGZPJMESA-N 326.509 5.358 0 40 EKAB Cc1ccc(C)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 248034260 RIZITHHVCAOMEF-QMXBJOJWSA-N 347.458 5.298 0 40 EKAB CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 507032 AOFAAOSGJMVURS-UHFFFAOYSA-N 343.521 5.354 0 40 EKAB Cc1ccsc1C(=O)[C@H](CC(=O)c1cccs1)c1ccsc1 1636195 JZDDYZOENRNJRB-CYBMUJFWSA-N 346.498 5.419 0 40 EKAB C[C@@H]1CCc2sc(C(=O)Nc3ccccc3C(C)(C)C)cc2C1 3400293 KVOQNKCKYYKPJC-CYBMUJFWSA-N 327.493 5.423 0 40 EKAB O=C(CCSCc1ccccc1)Nc1ccc(Cl)cc1Cl 7685457 HAQZSXOMEJMUHK-UHFFFAOYSA-N 340.275 5.255 0 40 EKAB O=C(Nc1ccccc1-c1cccs1)c1ccc2ncsc2c1 14704891 SBFLYCANVJGEIY-UHFFFAOYSA-N 336.441 5.277 0 40 EKAB Cc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1Cl 106972111 KKTSXJBFAHNYKX-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H]1CCC(=O)O1 141349645 PCOBNCGOHMJRLU-LCIPCQMKSA-N 344.495 5.194 0 40 EKAB in-vitro CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc2ccccc2c1 222795109 DLJQHOSNVBIVKG-QGZVFWFLSA-N 347.458 5.047 0 40 EKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225740016 XHFVEZVKNLYZAG-OXJNMPFZSA-N 335.488 5.096 0 40 EKAB Cc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1C 95018 LWURMTIBRZHDSZ-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB Cc1cc(C)c(NC(=O)c2sc3ccccc3c2Cl)c(C)c1 195508 RYGJSOVWSZRFDC-UHFFFAOYSA-N 329.852 5.732 0 40 EKAB COc1ccc2c(C)c(-c3cc(=O)oc4cc5c(cc34)CCC5)oc2c1 489784 CSXFARLRJHBOTP-UHFFFAOYSA-N 346.382 5.012 0 40 EKAB biogenic Cc1ccc(-c2cn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 1302337 RJFCQBPVAAJKTD-UHFFFAOYSA-N 326.443 5.720 0 40 EKAB CN(C)Cc1ccc(Cl)cc1Sc1ccc(Cl)cc1Cl 2187523 WWACKUBPXMSXLM-UHFFFAOYSA-N 346.710 5.860 0 40 EKAB O=C(COc1ccccc1Cl)c1ccc2c(c1)-c1ccccc1C2 2657600 ITPRJFDAJMRVPY-UHFFFAOYSA-N 334.802 5.173 0 40 EKAB C[C@@H]1CCCC[C@@H]1Nc1ncnc2scc(-c3ccc(F)cc3)c12 3304986 DRAWZAKARCRKJZ-WBMJQRKESA-N 341.455 5.488 0 40 EKAB Cc1ccc(C2=NNC3(CCCCCCCCCCC3)S2)cc1 3669494 LCNUZRCKVSSTPD-UHFFFAOYSA-N 330.541 5.994 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2)N3)C1 4545387 DHNIILAORDDCBP-QFYYESIMSA-N 346.883 5.345 0 40 EKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2cccs2)cc1 4616322 PPTLOEYXQWYQQI-MRXNPFEDSA-N 335.472 5.166 0 40 EKAB c1ccc([C@@H]2Sc3sc4ccccc4[n+]3[C@@H]2c2ccccc2)cc1 4721251 NQXQWJMGTKGKEG-UXHICEINSA-N 346.500 5.625 0 40 EKAB CC(C)(C)CC(C)(C)NCc1ccc(OCc2cccs2)cc1 6857393 QTHXSIVYPRSGFJ-UHFFFAOYSA-N 331.525 5.632 0 40 EKAB CCOc1cc(/C=C/c2nc3c(ccc4ccccc43)s2)ccc1O 6860587 SKTXXQRWNAFANJ-XYOKQWHBSA-N 347.439 5.724 0 40 EKAB Cc1cc(F)ccc1NC(=O)c1ccccc1Nc1ccc(F)cc1 7778101 LYZNHSOOFONPHM-UHFFFAOYSA-N 338.357 5.269 0 40 EKAB CCCOc1ccccc1CNc1ccc(Oc2ccccc2)cc1 19737697 NHUGUWLUKQLNGA-UHFFFAOYSA-N 333.431 5.880 0 40 EKAB C[C@H](Cc1ccccc1)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 31792486 OVRKXSYIXORYFJ-MRXNPFEDSA-N 339.866 5.663 0 40 EKAB Cc1ccc(C)c(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)c1 36611306 HEFFKFALXLYTQG-UHFFFAOYSA-N 339.508 5.015 0 40 EKAB CC[C@H](C)Sc1ccc(NC(=O)c2ccoc2)c(C(F)(F)F)c1 58156599 ZWGZATUCAMJPFU-JTQLQIEISA-N 343.370 5.441 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl 70717892 MRYAQYWAZAPSDU-SNVBAGLBSA-N 326.248 5.113 0 40 EKAB CC(C)c1cnc(C[S@@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 95414534 UNQUHSIODKQJAB-CWKPULSASA-N 346.279 5.115 0 40 EKAB OC(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 100683423 HBGVOSHSQPFQLW-UHFFFAOYSA-N 336.434 6.102 0 40 EKAB C[C@@H]1CCC[C@@H](C)N1Cc1ccc2oc(-c3ccccc3F)nc2c1 216790484 SPPOFYSUIKUVCG-HUUCEWRRSA-N 338.426 5.397 0 40 EKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@@H](C)C1 225661361 XNKYUVHRAAEGAB-UTKZUKDTSA-N 347.499 5.035 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)cc1C 225714683 UWHNDEPKKLWMQC-GOSISDBHSA-N 346.927 5.703 0 40 EKAB CC(=O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 76967 IVEZQOPVGUKFEO-UHFFFAOYSA-N 339.398 5.243 0 40 EKAB CC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 362204 OCDHXMZECVOCBI-ZDUSSCGKSA-N 341.760 5.491 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1C 385388 ZWUUIRXGRSPSKR-QGZVFWFLSA-N 347.433 5.852 0 40 EKAB Clc1ccc(CNc2ncnc3cc(Cl)ccc23)c(Cl)c1 1405673 PTYBZGPHCHJODA-UHFFFAOYSA-N 338.625 5.202 0 40 EKAB COC(=O)[C@@H]1C(=C(c2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 1707172 SBURSIJKQBMLEA-GMAHTHKFSA-N 340.422 5.075 0 40 EKAB CC(=O)c1cccc(NC(=O)Oc2ccc(-c3ccccc3)cc2)c1 1739706 OGYSSUQAMSBIKF-UHFFFAOYSA-N 331.371 5.167 0 40 EKAB CN(Cc1cccs1)c1ncnc2sc(-c3ccccc3)cc12 3421246 DXGLBVLZHPCKFK-UHFFFAOYSA-N 337.473 5.056 0 40 EKAB Brc1ccc(SCCCCOc2ccccc2)cc1 3470119 BMAYINPFGYDVEM-UHFFFAOYSA-N 337.282 5.400 0 40 EKAB C[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1ccc(Cl)cc1Cl 7782818 PWARKAQCVRXLMN-OLZOCXBDSA-N 336.262 5.364 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)NCCSC2CCCCC2)cc1 10326701 MBXHPCNWCFCGDA-UHFFFAOYSA-N 347.568 5.099 0 40 EKAB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1-n1cccc1 11329758 OFAGGMCKAVHWSV-UHFFFAOYSA-N 332.447 5.470 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Cl 13708346 DOIBICLTUILMOL-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB CC(C)C(NC(=O)N1c2ccccc2Sc2ccccc21)C(C)C 13717118 VRBBAALBSKRJJP-UHFFFAOYSA-N 340.492 5.680 0 40 EKAB FC(F)(F)c1cccc(NC(=S)Nc2ccccc2Cl)c1 16212644 JKQVMFHBHLKJPJ-UHFFFAOYSA-N 330.762 5.168 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2ncccc2c1 18194218 SCHUDABWTRSXOG-UHFFFAOYSA-N 332.190 5.186 0 40 EKAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 20481500 YLFIXYKYTWSLNH-BEFAXECRSA-N 345.870 5.011 0 40 EKAB CC(C)Oc1ccc([C@@H](CCN[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 32124174 ULEQXDNKKGBCBW-CTNGQTDRSA-N 347.543 5.151 0 40 EKAB biogenic COC(=O)c1cc(Nc2ccc(C)c(Cl)c2)c2cccc(C)c2n1 38487134 ZIGCGLJQGMBFJW-UHFFFAOYSA-N 340.810 5.035 0 40 EKAB CCN(CC)c1ccc(NC(=S)Nc2cccc(F)c2C)c(C)c1 71325985 IJLWVVQVHIPKMS-UHFFFAOYSA-N 345.487 5.098 0 40 EKAB CC(C)CN1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217623 SJAHENGLRKONMZ-LJQANCHMSA-N 326.509 5.416 0 40 EKAB CCc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 225506839 KCSIORMNZPBFEK-XMMPIXPASA-N 343.470 5.006 0 40 EKAB CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C/C/C=C\CCCC(=O)OC 299888291 DHUPCTVGLDZJCY-HEDYINSBSA-N 334.500 5.516 0 40 EKAB Fc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2485728 MEOGGOXDSRHLCG-UHFFFAOYSA-N 346.430 6.360 0 40 EKAB Cc1ccc(SCc2ccc(NC(=O)c3ccccc3)cc2)cc1 3117044 FGCVUQBNCUFNLV-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB CCOc1ccc2c(c1)sc(=S)n2CN(C)C1CCCCC1 3243623 OFZYJYJUEUTZDW-UHFFFAOYSA-N 336.526 5.053 0 40 EKAB Cc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)o1 3647342 UTKJMHAAJYVZNS-MEDUHNTESA-N 344.480 5.229 0 40 EKAB CCOc1ccccc1C1N(c2ccccc2)CCN1c1ccccc1 4561753 SGSBCDHQLCZJHA-UHFFFAOYSA-N 344.458 5.111 0 40 EKAB Cc1cc(F)ccc1NC(=O)C1c2ccccc2Oc2ccccc21 5617679 ORDMYXKYYQLQTJ-UHFFFAOYSA-N 333.362 5.010 0 40 EKAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccccc2)cc1 6376347 WANRRMIBTXOZCR-UHFFFAOYSA-N 327.305 5.023 0 40 EKAB Cc1ccc(-c2nnc(N3CCC[C@@H](C)C3)c3ccccc23)cc1C 6785904 RZRRBFWEYZNRGM-OAHLLOKOSA-N 331.463 5.150 0 40 EKAB CCCCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 7261059 PFPPHYVZLYSFBY-UHFFFAOYSA-N 326.267 5.923 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 8040887 ZPODLZCVBYPYAI-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB O=C([C@H]1CC=CCC1)N(c1ccccc1)c1nc2ccccc2s1 8338173 OKNSSGQUJUTZNX-HNNXBMFYSA-N 334.444 5.317 0 40 EKAB CCc1nc2ccccc2c(C(=O)Nc2cccc(SC)c2)c1C 8707036 MQMGEHVQLGYZOV-UHFFFAOYSA-N 336.460 5.080 0 40 EKAB COc1ccc(-c2c/c(=N\c3cccc(O)c3)c3ccccc3o2)cc1 12201446 CGUMFYMAANFUSO-BSYVCWPDSA-N 343.382 5.046 0 40 EKAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12 12745613 SGDBYEIICIHKNA-INIZCTEOSA-N 342.442 5.131 0 40 EKAB CCc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 13841060 YNCRYTZDIXAVMR-UHFFFAOYSA-N 340.536 6.305 0 40 EKAB O=C(NC1CCCCCCCCCCC1)C(Cl)(Cl)Cl 16137982 NQKAQAMUZWJIAU-UHFFFAOYSA-N 328.711 5.146 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 20045614 NNSQCZJUZDHIKE-UHFFFAOYSA-N 341.760 5.157 0 40 EKAB CC[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 20454208 YPNUTLCWLKYQCU-OILDRBDJSA-N 341.454 5.495 0 40 EKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccccc2)cc1 22072963 NTILMEANOWQCRW-UHFFFAOYSA-N 331.419 5.201 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1c(C)cccc1C(C)C 30751713 CZKKKBSXNQWGJX-LJQANCHMSA-N 325.452 5.223 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 30863661 RSVGZDVGXCDVGS-SFHVURJKSA-N 339.479 5.360 0 40 EKAB CCOC(=O)/C=C(\C)Nc1cc2c(cc1C)cc(-c1ccccc1)n2C 35326271 ORIIPJPFHWPBTN-FOWTUZBSSA-N 348.446 5.033 0 40 EKAB CC(C)(C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 36393251 BSUKGSVMYMRSNM-UHFFFAOYSA-N 330.431 5.347 0 40 EKAB C(/C=C\c1ccc(/C=C\C=C\c2ccccc2)cc1)=C/c1ccccc1 71782794 RDXVBJMYWDYESH-HRPMROCJSA-N 334.462 7.140 0 40 EKAB CCc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 224359322 DEWSDXQTWHUPCQ-UHFFFAOYSA-N 331.415 5.223 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 362375 AGCNIIAHLIIVNZ-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB Cc1c(-c2cc(=O)oc3ccc(C(C)C)cc23)oc2ccc(F)cc12 534712 KFMOUUOPTJPUHJ-UHFFFAOYSA-N 336.362 5.777 0 40 EKAB biogenic CSc1nc(Oc2ccc(F)cc2)c2sc3ccccc3c2n1 1384006 MAKYFAGAYRKAMM-UHFFFAOYSA-N 342.420 5.498 0 40 EKAB COc1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 1572787 DLDDIHRRFIDSOW-UHFFFAOYSA-N 326.480 5.587 0 40 EKAB CCCCc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 1909335 OTLPQXOQBCZXMB-UHFFFAOYSA-N 331.843 5.009 0 40 EKAB Cc1ccc(Sc2ccc(Nc3nc4ccccc4o3)cc2)c(C)c1 2625073 XOGFQEFCDALBCT-UHFFFAOYSA-N 346.455 6.339 0 40 EKAB COc1ccc(Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)cc1 3254027 HVSDSTINNUHPPC-UHFFFAOYSA-N 335.432 5.352 0 40 EKAB C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2ccccc2C)s1 3346362 CBMVKXMHTZQZNB-FOWTUZBSSA-N 348.471 5.084 0 40 EKAB O=C(Nc1ccccc1C(=O)Cc1ccccc1)c1cccc(Cl)c1 4727576 MMUPJILBEMBPFQ-UHFFFAOYSA-N 349.817 5.018 0 40 EKAB Cc1nc(SCc2cccc(Cl)c2)c2oc3ccccc3c2n1 5219029 MHQFEUKZWNGGRR-UHFFFAOYSA-N 340.835 5.630 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1F 5955313 MTWLCCFMMFUNNW-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Cc1cccc(-c2nnc([C@@H](C)Oc3cc(Cl)ccc3Cl)o2)c1 6551690 GZFJLVXUXIECTE-LLVKDONJSA-N 349.217 5.492 0 40 EKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OC 6960479 FOESFDIUUCPBBQ-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Cc1ccc(CSc2nc(-c3ccccc3)c3ccccc3n2)cc1 8550168 GHPVGYZXNIZPQX-UHFFFAOYSA-N 342.467 5.898 0 40 EKAB O=C(Cc1ccccc1Cl)Nc1ccccc1Cc1ccccc1 8735849 YDLAPHDXVCFJGP-UHFFFAOYSA-N 335.834 5.112 0 40 EKAB CCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)cc3F)ccc12 11866529 RAGLNTIJOQGYFN-UHFFFAOYSA-N 346.785 5.035 0 40 EKAB S=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H]2CCCC[C@@H]21 16385085 CEWKKBDWODDHHZ-ABAIWWIYSA-N 343.323 5.345 0 40 EKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(C)cc4c32)cc1 21017535 TXDVXLMHVYWIFO-UHFFFAOYSA-N 349.437 5.858 0 40 EKAB C[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)c1ccc(Cl)s1 40086410 KQGSFWBPVBNXOZ-HTQZYQBOSA-N 349.308 5.238 0 40 EKAB Cc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(F)cc2)cc1 44087067 KMVUHRPFZSPDNU-UHFFFAOYSA-N 340.467 5.735 0 40 EKAB Cc1cc(-c2nc(Nc3ccc(N(C)C)cc3)sc2C)ccc1F 67322009 JCTPUXUWKLQSNN-UHFFFAOYSA-N 341.455 5.376 0 40 EKAB FC(F)(F)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 71761874 OMGJRSSYNZCFEA-UHFFFAOYSA-N 336.382 5.003 0 40 EKAB CCn1c(C(=O)N(C)Cc2csc3ccccc23)cc2ccccc21 83840103 UTFGAMUREPUQID-UHFFFAOYSA-N 348.471 5.148 0 40 EKAB O=C(O)c1sc2cc(Br)c3ccccc3c2c1Cl 85391175 KPELNASRJOXJAQ-UHFFFAOYSA-N 341.613 5.169 0 40 EKAB Fc1ccc(COc2ccccc2CNc2ccc(Cl)cc2)cc1 107040926 PNMJIIUIGPEVAY-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCc1ccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 223791521 LDQZNAWSTWFZRL-UHFFFAOYSA-N 341.760 5.102 0 40 EKAB Oc1nc(-c2ccc(-c3ccc(F)cc3)o2)nc2ccc(Cl)cc12 253536631 ZDSTZGZVZGNYGY-UHFFFAOYSA-N 340.741 5.055 0 40 EKAB CC/C=C/CC/C=C/C/C=C/CC/C=C\CC/C=C\CCC(=O)O 299888584 PIFPCDRPHCQLSJ-BTZPGZRESA-N 330.512 6.773 0 40 EKAB endogenous,in-man CCCC(CCC)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358011 BIZQUOYNVRPTLM-UHFFFAOYSA-N 346.417 5.943 0 40 EKAB Cc1cccc(C)c1N=c1scc(-c2ccc(Cl)cc2)n1C 575628262 SDZNYMJZJIRHJO-UHFFFAOYSA-N 328.868 5.256 0 40 EKAB Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1C 52589 UTPHIBRLTHTKLY-UHFFFAOYSA-N 325.415 5.218 0 40 EKAB Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccccc2C)cc1 427542 CEOTVXDFRXIJEJ-UHFFFAOYSA-N 327.431 5.670 0 40 EKAB CCOc1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1 1051467 DHJKSJBBCUYKDU-UHFFFAOYSA-N 340.473 5.469 0 40 EKAB c1ccc(CSc2nnc(Cc3ccccc3)c3ccccc23)cc1 1384852 MXBQWSANZXNXNN-UHFFFAOYSA-N 342.467 5.513 0 40 EKAB O=C(Cc1ccccc1)C[C@@H](CC(=O)c1ccccc1)c1ccccc1 1872826 KZOFXXZQSPJPEM-QFIPXVFZSA-N 342.438 5.245 0 40 EKAB CC(C)NC[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 2106560 HRROJQJBNRGRQT-PZSZKOGDSA-N 347.587 5.148 0 40 EKAB Cc1nc2c3cc(Cl)ccc3n(Cc3ccccc3F)c2s1 2438965 DPZKYSLJENQYMZ-UHFFFAOYSA-N 330.815 5.400 0 40 EKAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3)sc2C1 3207614 CNDJVRJNAQNSFY-GFCCVEGCSA-N 348.899 5.200 0 40 EKAB CCOc1cc(C=O)ccc1OCC12CC(C[C@H](C)C1)C[C@H](C)C2 3252760 GKTRPNDNNNRIIW-RXMUNUFUSA-N 330.468 5.129 0 40 EKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(F)c1 6221168 NFTIUNSMXZWUNL-UHFFFAOYSA-N 341.769 5.524 0 40 EKAB COCc1c(C(=O)Nc2ccc(C)cc2C)sc2cccc(F)c12 6788950 BAXNHIBKYXHBPH-UHFFFAOYSA-N 343.423 5.056 0 40 EKAB Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2ccc(F)cc12 8210154 GISBYHUOVMTYQO-UHFFFAOYSA-N 338.165 5.439 0 40 EKAB CCc1ccccc1NC(=S)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13774768 PRZRXXVDRVZRDY-HNNXBMFYSA-N 340.536 5.594 0 40 EKAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 13801175 JAOOPBPXVXTCKA-FCQUAONHSA-N 342.467 5.747 0 40 EKAB Fc1ccc(COc2ccc(Cl)cc2CNC2CCCCC2)cc1 22073962 MVUAXFTYEQBZGI-UHFFFAOYSA-N 347.861 5.480 0 40 EKAB CC(C)(C)CC(C)(C)NCc1ccc(OCc2cscn2)cc1 58108578 PPKIBZULIUSXQW-UHFFFAOYSA-N 332.513 5.027 0 40 EKAB Oc1nc(SCc2ccccc2Cl)nc2c1oc1ccccc12 67259875 RMBVWAWGDLUKJP-UHFFFAOYSA-N 342.807 5.027 0 40 EKAB Cc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1 67321671 RCZDIJMGYIBVMH-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C)c1C 113970743 LATOKGDXBSWVOB-SFHVURJKSA-N 331.843 5.061 0 40 EKAB Cc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5o4)cc3)oc12 196231150 FETMMZKVEJYMFJ-UHFFFAOYSA-N 340.382 5.920 0 40 EKAB COc1c(Cl)cc(-c2nc3cc(Cl)ccc3[nH]2)cc1Cl 216734522 NQBQSDXVLPSBNX-UHFFFAOYSA-N 327.598 5.199 0 40 EKAB CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219738332 ATGQBKHETHNWMG-INIZCTEOSA-N 339.479 5.262 0 40 EKAB CC(C)[C@H]1CC2(CCN(C(C)C)CC2)CO[C@@H]1c1cccc(Cl)c1 1615158883 SCIIUIHSSPTXCT-WOJBJXKFSA-N 349.946 5.564 0 40 EKAB CCCC(=O)N1c2cc(C)ccc2-c2c(ssc2=S)C1(C)C 353997 ZMLIHADEHJRPQQ-UHFFFAOYSA-N 349.546 5.896 0 40 EKAB Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)Nc1ccccc1 1436487 PLDYEOXFLVBGKK-JOCHJYFZSA-N 341.454 5.248 0 40 EKAB Cc1cccc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)c1C 1448674 WUCWZXHLCYKLFF-HSZRJFAPSA-N 341.458 5.690 0 40 EKAB O[C@@](/C=C/c1ccccc1)(c1ccccc1)c1nc2ccccc2s1 1609992 LXUNHGPWRBNEMY-BQXQKYNTSA-N 343.451 5.246 0 40 EKAB Clc1ccccc1-c1nc(OCc2ccccc2)c2ccccc2n1 2268207 HMEDVWRVHBOJEF-UHFFFAOYSA-N 346.817 5.529 0 40 EKAB O=C(/C=C/c1cccs1)N1c2ccccc2Sc2ccccc21 3178394 OUSDDGMOTSAOLB-VAWYXSNFSA-N 335.453 5.591 0 40 EKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc[nH]2)N3)C1 4554577 RJOQLVBDKJFCIO-BDJLRTHQSA-N 343.496 5.046 0 40 EKAB c1ccc(N2CS[C@@H](Cn3c4ccccc4c4ccccc43)C2)cc1 5395095 VDLRYWYPTHJHOJ-GOSISDBHSA-N 344.483 5.374 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6395318 ZOTKZNHNLWECJH-AWEZNQCLSA-N 345.870 5.650 0 40 EKAB Fc1ccc([C@@H](CCNCc2ccco2)c2ccc(Cl)cc2)cc1 6669748 RIUPZOQWLIFGHD-FQEVSTJZSA-N 343.829 5.384 0 40 EKAB CC(C)(C)NCc1ccccc1OCc1ccc(Cl)cc1Cl 6882600 FFDVILOKQACAHE-UHFFFAOYSA-N 338.278 5.461 0 40 EKAB Cc1ccc(/C=C/C(=O)Nc2nc3c(ccc4ccccc43)s2)o1 6999532 WVADXKHKEWIFFQ-PKNBQFBNSA-N 334.400 5.003 0 40 EKAB CC[C@@H](c1ccco1)N(C(=O)/C=C/c1ccccc1)c1ccccc1 11915334 UNSOUZKTWXOXGJ-APHAIJBRSA-N 331.415 5.477 0 40 EKAB C[C@@H]1C[C@@H](C)CN(C(=O)N2c3ccccc3Sc3ccccc32)C1 13574326 NGGPJPOYDLNDLC-HUUCEWRRSA-N 338.476 5.387 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 14007005 WNGOXGGBFLLYGN-SECBINFHSA-N 344.625 5.053 0 40 EKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 16044827 CXNRHJXUBPSSBF-QTEQDKRBSA-N 333.475 5.298 0 40 EKAB Cc1cc(Nc2ccccc2C(=O)O)c2ccc(Cl)c(Cl)c2n1 78401696 ZZPCKYLESWXEEC-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB Cc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1Cl 225079726 QSDWYBIEJWHMIO-GOSISDBHSA-N 346.854 5.021 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2cc(C)ccc2C)C(C)C)c(C)c1 225763073 JLEOMXUJZMMYMI-FQEVSTJZSA-N 340.536 5.604 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 408921022 BHTSRUBQAUFCSL-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB Cc1ccc(Nc2c(-c3ccsc3)nc3ccc(Cl)cn23)cc1 427522 HWSMBISUXICWMI-UHFFFAOYSA-N 339.851 5.768 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C 492098 JUVSKEQTVCGJJA-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB O=C(Oc1cccc2ccccc12)N(c1ccccc1)c1ccccc1 1792717 JEDBJEJNRGSCFS-UHFFFAOYSA-N 339.394 6.177 0 40 EKAB CCN(CC)CCC[C@@H](C)Sc1ccnc2cc(Cl)ccc12 2042688 XTURKEKTTBMCQC-CQSZACIVSA-N 336.932 5.491 0 40 EKAB CCCCCC[C@H](C)NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 3199936 NYDGMYIWNLIFPB-MDJJKAFGSA-N 343.442 5.574 0 40 EKAB CCCCCCC(=O)OC[C@@H](CCCCC)[C@@H](O)CCCCCC 4775049 HSGDEAZAEPDKAI-UXHICEINSA-N 342.564 6.028 0 40 EKAB CC(C)CC[C@H](CCNCc1ccco1)c1ccc(OC(C)C)cc1 5499551 OSTOBITVPUJNMT-HXUWFJFHSA-N 343.511 5.767 0 40 EKAB O=C(Nc1ccc(CSc2ccccc2)cc1)Oc1ccccc1 5901066 WDDLDDUDCIPFMN-UHFFFAOYSA-N 335.428 5.590 0 40 EKAB CSc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1 6048495 UNPORMWYPOKKKL-NYYWCZLTSA-N 327.449 5.842 0 40 EKAB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1 6673231 VATJVBHMLSLDJP-UFWORHAWSA-N 331.605 5.622 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1CNC(C)(C)CC(C)(C)C 7521564 PFJSEFMPFLUJPS-UHFFFAOYSA-N 332.315 5.697 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 8471482 KEGKRTOHGKIIIY-UHFFFAOYSA-N 331.415 5.359 0 40 EKAB CCCCCC(=O)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 9141328 PJNIYWPFPXSHSZ-UHFFFAOYSA-N 336.435 5.630 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13708595 DCDKDBOQPNXFCL-QGZVFWFLSA-N 347.458 5.588 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709080 SJBHOGJSCJXYEE-CQSZACIVSA-N 339.822 5.208 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc3cccnc23)c1 15835447 YBDIDUQLMJBXRM-INIZCTEOSA-N 348.446 5.073 0 40 EKAB CCCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 33792619 YHOHXDGANHUBQZ-ZSYZGHEHSA-N 328.496 5.083 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3cc(C)ccn23)c1 35616304 YBAVZGSFSMHFMV-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB CC(=O)c1c(C)cc(C)c(CN[C@@H](c2cccs2)C(C)(C)C)c1C 65564331 UTKOJYRJCJDKSO-FQEVSTJZSA-N 343.536 5.753 0 40 EKAB CCCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 66351939 FEWMLRARKGRCCE-UHFFFAOYSA-N 338.457 6.984 0 40 EKAB C/C=C/c1ccc(O[C@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 76556305 JHHPATYERRVIRJ-LQYUOIDQSA-N 336.435 5.361 0 40 EKAB C[C@@H](NC(=O)N1CC[C@@H](c2ccccc2)C1)c1cccc2ccccc12 84656392 OYEOGVZNEWJTJB-YLJYHZDGSA-N 344.458 5.100 0 40 EKAB CC(C)COc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C 95915478 SXQVKKNSIJZLQD-UHFFFAOYSA-N 341.333 6.079 0 40 EKAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(Cl)c1)C(C)C 225759908 MWVHBZANHQPJIL-QGZVFWFLSA-N 332.900 5.332 0 40 EKAB Cc1cc(C)cc(NC(=S)NCCCc2cccc3ccccc23)c1 225808034 WHPVESKYHLXVOZ-UHFFFAOYSA-N 348.515 5.376 0 40 EKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c(C)c1 409120761 SZUZNKMZZRFXGS-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CCCC[B-]1(CCCC)c2ccccc2NC(=O)N1c1ccccc1C 1505840614 ZDLSKOYEVVUQDO-UHFFFAOYSA-N 349.307 5.800 0 40 EKAB CSc1nc(SC)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 477608 ZTVBSYMXCQEJOA-VIFPVBQESA-N 338.567 5.286 0 40 EKAB C[C@@H]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 1511243 APKIQWGYMLOZKA-CQSZACIVSA-N 348.471 5.187 0 40 EKAB CCOC(=O)CCCCCCC(=O)c1ccc(Cl)cc1Cl 2580342 DSOLURMKBOQXFD-UHFFFAOYSA-N 331.239 5.080 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1ccccc1Cl 3243526 SFHVIROBAAILJB-CYBMUJFWSA-N 333.884 5.584 0 40 EKAB O=C(N[C@@H]1CCCc2ccccc21)c1sc2ccccc2c1Cl 3335496 NRHJWRROZSDSNO-OAHLLOKOSA-N 341.863 5.362 0 40 EKAB O=C(c1ccccc1)C1(c2ccccc2)c2ccccc2-c2ccccc21 5081690 TZLFUKDWQGBIFW-UHFFFAOYSA-N 346.429 5.884 0 40 EKAB Cc1sc2ncnc(N3CCC(C)CC3)c2c1-c1ccc(F)cc1 6232793 YCEXYVZBQYSOEN-UHFFFAOYSA-N 341.455 5.042 0 40 EKAB O=C(Nc1ccccc1)N(Cc1cccc(Cl)c1)Cc1ccco1 6597627 COCIYMFXQTZZCQ-UHFFFAOYSA-N 340.810 5.167 0 40 EKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 9141295 SJTXTNGUXHEFMS-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc2ccccc12 22510462 CXVDUWRBRPZUNS-NRFANRHFSA-N 333.431 5.253 0 40 EKAB CCCc1cc(Nc2ccc(C)cc2)n2ncc(-c3ccccc3)c2n1 27585120 ULLQZOZPZRUAHD-UHFFFAOYSA-N 342.446 5.401 0 40 EKAB Cc1ccc(-c2nn3c(Nc4ccc(F)cc4)cc(C)nc3c2C)cc1 40216927 YEVYILQJMWCUKR-UHFFFAOYSA-N 346.409 5.204 0 40 EKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1C 44837912 YEQHPWFWXPUMBN-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(F)cc2)c[nH]1 56907149 FNBUGNNKBPQCKB-UHFFFAOYSA-N 328.774 5.035 0 40 EKAB O=c1c2ccccc2c(-c2cccc3ccccc23)nn1-c1ccccc1 59482978 ZKCBZAUKSFQNKU-UHFFFAOYSA-N 348.405 5.206 0 40 EKAB CC(C)(C)c1cnc(CN2CCC[C@H]2c2cccc3ccccc23)o1 64637251 SOHAIMWVIJPTBZ-IBGZPJMESA-N 334.463 5.462 0 40 EKAB CC(C)Sc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72217569 VKCTVDZSWHJTGZ-HNNXBMFYSA-N 336.501 5.044 0 40 EKAB Clc1ccc(Cl)c(-c2nc3ccc(-n4cccc4)cc3o2)c1 216744147 JDBGSRWEWZQLGH-UHFFFAOYSA-N 329.186 5.592 0 40 EKAB COc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1Cl 216917027 KEZJJGHTUWXFKN-UHFFFAOYSA-N 327.598 5.199 0 40 EKAB COc1ccc(NC(=O)CCc2cccc3ccccc23)cc1Cl 222662793 PTNGXVWUARCVFM-UHFFFAOYSA-N 339.822 5.073 0 40 EKAB CC(C)C(NC(=O)CSCc1ccc(Cl)cc1Cl)C(C)C 222717230 JUIQRLBAEOKTTF-UHFFFAOYSA-N 348.339 5.023 0 40 EKAB Cc1cc(C)c(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=C\CC[C@H]32)c(C)c1 252394303 FWYWHXFRKQRPHK-DZOTUAAXSA-N 337.507 5.879 0 40 EKAB O=C(CCc1cccc(Cl)c1)N1CCCC[C@@H](c2ccccc2)C1 390825966 UUVAHKFRNGQSDW-LJQANCHMSA-N 341.882 5.069 0 40 EKAB CCCCCCC1(CCCCCC)c2ccccc2Nc2ccccc21 1857795177 RCRRTKZGKNCLPI-UHFFFAOYSA-N 349.562 7.971 0 40 EKAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc2ccccc2c1 519974 ZCWSCWNSNTWNTL-UHFFFAOYSA-N 348.405 5.206 0 40 EKAB Nc1c(Cl)cc2oc(-c3ccc4ccccc4c3)nc2c1Cl 570170 LCNCAYYDQFRQGC-UHFFFAOYSA-N 329.186 5.537 0 40 EKAB Clc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 572486 LILCUZBETYNNHS-UHFFFAOYSA-N 348.833 5.317 0 40 EKAB CN1CCC(=C(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 1681675 GWAHCEODORVIBC-DEOSSOPVSA-N 339.482 5.608 0 40 EKAB COc1ccc([C@@H](c2ccccc2OC)C(Cl)(Cl)Cl)cc1 1712301 KNLLPAOBVIKLDE-HNNXBMFYSA-N 345.653 5.206 0 40 EKAB in-vitro CCN(CC)CCC[C@@H](C)Nc1c(C)cnc2cc(C)c(C)cc12 2044404 MJXLLGCODJAHOJ-GOSISDBHSA-N 327.516 5.082 0 40 EKAB Cc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 2437722 RLBLQOUAFUJGRV-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB c1cnc2c(Oc3ncnc4sc5c(c34)CCCCC5)cccc2c1 3243094 MEGRXBYAXBMASI-UHFFFAOYSA-N 347.443 5.301 0 40 EKAB Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2N(C)c2ccccc21 5337870 SQGVHIJJNBVWNG-LJQANCHMSA-N 342.442 5.041 0 40 EKAB Clc1cnc2[nH]c(SCc3cccc4ccccc34)nc2c1 5454987 RNWXIQIJYJDWSR-UHFFFAOYSA-N 325.824 5.057 0 40 EKAB CCCN(CC1CC1)C(=S)Nc1ccc(Oc2ccccc2)cc1 8693816 OHKYIVDWFANOCI-UHFFFAOYSA-N 340.492 5.298 0 40 EKAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13774735 FKAMKONVXYGGFF-CYBMUJFWSA-N 346.927 5.685 0 40 EKAB CC(C)c1ccc([C@@H](C)NC(=S)Nc2cccc3ccccc23)cc1 13931886 JAGBNXHVOIWUMJ-MRXNPFEDSA-N 348.515 6.011 0 40 EKAB C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc2ccccc2c1 14109575 BCGQOCXTBBNLGA-NSHDSACASA-N 345.229 5.033 0 40 EKAB CCOc1ccc2oc(C)c(C(=O)Nc3ccccc3Cl)c2c1 15880468 VMDFOXBHYMSDPX-UHFFFAOYSA-N 329.783 5.046 0 40 EKAB biogenic Fc1ccccc1COc1ccc2ccccc2c1CNC1CCCC1 16525849 NECGLYMZIFDGHI-UHFFFAOYSA-N 349.449 5.590 0 40 EKAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 20109098 FEMACBQCUQFKQS-KRWDZBQOSA-N 336.262 5.511 0 40 EKAB CC(C)c1ccc(CNNc2nc3c(Cl)cccc3s2)cc1 40542195 IWPUKPFNTWOBRG-UHFFFAOYSA-N 331.872 5.190 0 40 EKAB Cc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 216368332 AAXLYUMMVJSFMW-CQLKWFSRSA-N 341.454 5.222 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CCc1cccc2ccccc12 222667503 DLJPUFCGFNVGNB-UHFFFAOYSA-N 331.459 5.843 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 224453353 ZYSHTHMENDBQPC-KRWDZBQOSA-N 347.458 5.678 0 40 EKAB CCCCC/C=C/C/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCC(=O)OC 299888782 XGESKIWNDBIILZ-XQERXWPOSA-N 334.500 5.516 0 40 EKAB Cc1cccc(NCc2ccccc2OCc2ccccc2Cl)c1 409113450 GBWNCHWSXIKDJV-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCC[C@H]1CC[C@H](C2CCC(c3cc(F)c(O)c(F)c3)CC2)CC1 1570001723 TUPBHQDYRHYZKS-OJHJNGDYSA-N 336.466 6.551 0 40 EKAB COc1cccc(-c2ccc(C(=O)N3CCC(=C4CCC4)CC3)cc2)c1 1775968678 KRWBLCXBANZMFS-UHFFFAOYSA-N 347.458 5.079 0 40 EKAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccccc1 271367 QRQOSMYBXRESGR-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB CC[C@@H](C)n1c(COc2ccc3ccccc3c2)nc2ccccc21 1470621 ISEXNCCQNRECQE-MRXNPFEDSA-N 330.431 5.740 0 40 EKAB COc1ccc([C@H](CCNCc2ccccc2)Cc2ccccc2)cc1 1831926 WQXVARGDPNMMCD-HSZRJFAPSA-N 345.486 5.201 0 40 EKAB CC1(C)Cc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2O1 2543587 YGUITWIFQMYRGT-UHFFFAOYSA-N 343.732 5.260 0 40 EKAB Cc1ccc(Nc2c(-c3cccc(Cl)c3)nc3ccc(C)cn23)cc1 3911616 COABNKZRTSKMFW-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB Cc1cccc(Cc2ccccc2C(=N)c2c(C)cccc2C)c1C 4974851 QQNYFBNJRYNEOK-UHFFFAOYSA-N 327.471 5.927 0 40 EKAB Cc1cc2nc(N[C@H](C)c3ccccc3Cl)c3ccccc3n2n1 7779331 ZNPPJCDKGFSRBJ-CYBMUJFWSA-N 336.826 5.017 0 40 EKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(Cl)c1 11689901 FOMZVABRKMSUHA-UHFFFAOYSA-N 325.795 5.171 0 40 EKAB Cc1cc(C)c2c(C)c(C(=O)Nc3cccc4ccc(C)nc34)oc2c1 11917457 LRZVRVLMESTXPO-UHFFFAOYSA-N 344.414 5.467 0 40 EKAB CCc1ccc(NC(=O)N[C@H](CC)c2ccc([C@H](C)CC)cc2)cc1 13321298 MELAFEGQZNNACL-IIBYNOLFSA-N 338.495 6.035 0 40 EKAB Cc1ccc(C)c(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 13797726 LPVJBIZTUBVCAC-UHFFFAOYSA-N 348.471 5.905 0 40 EKAB Cc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1C 16842892 QZNPBNJWMHVCPI-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CN=[N+]=[N-] 28294622 NUOUFIXLUAPRPT-BCPGGHEJSA-N 331.504 5.461 0 40 EKAB Cc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)s1 36613324 UWJKOAXDWIHYBH-UHFFFAOYSA-N 341.402 5.277 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C)c1C 38753800 MTIBDTYIIUSPAY-OAQYLSRUSA-N 333.431 5.253 0 40 EKAB Cc1cc(C)cc(NC(=O)c2cc3cc(Br)ccc3o2)c1 41007098 YSWNJCOVZDMFCN-UHFFFAOYSA-N 344.208 5.064 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1)c1ccc(C)cc1 44844697 CMXSFFCPDRDWIZ-LEWJYISDSA-N 339.479 5.037 0 40 EKAB CCCCN[C@@H](C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1 58167004 GRVZLZDZFGPLPO-OAQYLSRUSA-N 334.463 5.044 0 40 EKAB C[C@H]1CC2=Nc3ccccc3N[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102602416 UIHUSGZBYAYCKS-PRWKNARSSA-N 340.373 5.446 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 118912743 GZOSMCIZMLWJML-HLKZYUPGSA-N 349.518 5.399 0 40 EKAB CC1=C[C@H](C)[C@@H]2CO[C@@H](c3ccccc3OCc3ccccc3)[C@@H]1[C@@H]2C 169705034 DUWXMXJIRAGQTJ-XDXCGJAISA-N 348.486 5.801 0 40 EKAB CCCO[C@@](C)(C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1)C1CC1 225674250 VLUYGPSRFKMIKJ-HRAATJIYSA-N 347.499 5.015 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 408588286 VLIQNIFTWCGUGM-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB O=C(Nc1ccccc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 271346 QZKLLVOGWLUMMI-UHFFFAOYSA-N 332.186 5.506 0 40 EKAB CCCC[C@H](C)C(=O)C[C@H](SCC)c1ccc(Cl)c(Cl)c1 1570344 NPRSMUDQTFUNGZ-SJCJKPOMSA-N 347.351 6.573 0 40 EKAB Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1 2569357 ZLGYJAIAVPVCNF-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1cccs1 4090615 CCSOIZUDKZVWKG-UHFFFAOYSA-N 343.448 5.432 0 40 EKAB S=C(Nc1ccccc1)Nc1nc2c(ccc3ccccc32)s1 6276907 RNMNGMMCJRTSBT-UHFFFAOYSA-N 335.457 5.258 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C 8499463 ZRTMUDUMKNREKM-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB CCC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]32)C1 13408660 WYXLHJNYQBRALN-IJZRVPMXSA-N 344.539 5.907 0 40 EKAB Cc1cc(OCCNc2ccc(Cl)c(Cl)c2)ccc1Cl 19737725 YTGKWMUMNHASRS-UHFFFAOYSA-N 330.642 5.446 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccc(Cl)cc1 28294184 IQDPLIHISAQUOO-COXVUDFISA-N 340.916 5.436 0 40 EKAB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 30751349 VUZLPPSNHJNYQL-QXLXQBSBSA-N 334.246 5.274 0 40 EKAB Cc1c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc2n1C 59679607 AOKZUVQPGZCDEB-JJIBRWJFSA-N 339.442 5.659 0 40 EKAB CCc1ccc(Nc2ncc(F)c(Nc3ccc(CC)cc3)n2)cc1 114323965 RDFGHVLIRWIDTJ-UHFFFAOYSA-N 336.414 5.228 0 40 EKAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 223078441 LQTVURGCVZPIAK-SFHVURJKSA-N 337.507 5.411 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CCCCCCC2)c1 224388697 SMQXDXYHSMFRTF-KRWDZBQOSA-N 331.500 5.115 0 40 EKAB CC[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(C)cc1C 225715573 FZQBDDLPBOXABJ-MRXNPFEDSA-N 334.435 5.019 0 40 EKAB CC(C)(C)[C@@H]1COC(C2(C3=N[C@H](C(C)(C)C)CO3)CCCCCC2)=N1 1988179729 IOKIVQBMWOEBIM-HOTGVXAUSA-N 348.531 5.014 0 40 EKAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C3CCCCC3)cc2)cc1 2570929 LZLRJYSRMSQLFO-LICLKQGHSA-N 349.474 5.785 0 40 EKAB O=C(OCc1ccccc1F)/C(=C/c1cccs1)c1cccs1 2633489 CPCHMTIGWHMITK-RVDMUPIBSA-N 344.432 5.233 0 40 EKAB CC[C@H](C)NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212496 BPKXXVYVNFRZRY-INIZCTEOSA-N 339.375 5.680 0 40 EKAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 4903589 RAVFWWJAKAMCRQ-UHFFFAOYSA-N 331.202 5.102 0 40 EKAB CCc1cccc(C)c1NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 6510243 DAIUBQUKFYUVJX-UHFFFAOYSA-N 349.474 5.917 0 40 EKAB COc1ccc(NC(=O)c2ccccc2SC(C)C)cc1Cl 8478178 IZZDHUZMKJKDKR-UHFFFAOYSA-N 335.856 5.101 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](C)SCc1ccccc1 20104755 IQNNHKMOYKERQT-AWEZNQCLSA-N 331.506 5.059 0 40 EKAB Cc1cc2nc(-c3cccc(Cl)c3)oc2c(Br)c1C 20156784 CDYPSJKWHKJPEO-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)C1(c2ccccc2)CCCC1 20978807 UMPZJODFMLOAQK-UHFFFAOYSA-N 341.454 5.804 0 40 EKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccoc1 29246791 QJEOWGMYXQTOJR-UHFFFAOYSA-N 346.411 5.322 0 40 EKAB Cc1cccc(-c2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)c1 51330979 ZUXGQNMSXFQNMM-UHFFFAOYSA-N 347.368 5.627 0 40 EKAB CCc1ccc(NC(=O)CSCc2cccc3ccccc23)cc1 71433353 ZJPSMEPCKUEHLD-UHFFFAOYSA-N 335.472 5.274 0 40 EKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 106976926 UPJLXLHGECUTKV-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1sc2ncnc(SCc3c(F)cccc3Cl)c2c1C 303193 VHWGDWRRSZKPOY-UHFFFAOYSA-N 338.860 5.393 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1 569034 NUVOUODSDBCMFQ-MRXNPFEDSA-N 325.452 5.487 0 40 EKAB Cn1c2ccccc2c2cc(C(=O)Nc3cccc(Cl)c3)sc21 1402104 CQPGPQGNHNJBNC-UHFFFAOYSA-N 340.835 5.299 0 40 EKAB CNCC[C@H](Sc1ccc(C(F)(F)F)cc1)c1ccccc1 2012430 FNDOIOWNVFFQBG-INIZCTEOSA-N 325.399 5.148 0 40 EKAB c1ccc(-c2nc(-c3cccc4ccccc34)[nH]c2-c2ccccc2)cc1 2143356 NPLUXVNHIYMIKN-UHFFFAOYSA-N 346.433 6.564 0 40 EKAB CC(C)c1ccc2occ(CC(=O)Nc3ccc(Cl)cc3)c2c1 6809861 VKWNFKMGZKWQQT-UHFFFAOYSA-N 327.811 5.391 0 40 EKAB C[C@H](Sc1ccc2ccccc2c1)C(=O)NCC1CCCCC1 6849457 QYYRCYOZAXWUSO-HNNXBMFYSA-N 327.493 5.017 0 40 EKAB CCc1cccc(C)c1NC(=O)CSCc1cccc(Cl)c1 7094158 GMURJUZVOVPTNQ-UHFFFAOYSA-N 333.884 5.083 0 40 EKAB O=C(CCc1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1 7599270 CCDZUTSPRMMAJS-UHFFFAOYSA-N 348.427 5.128 0 40 EKAB COc1cc(/C=C/c2nc3ccccc3o2)cc(Cl)c1OC(C)C 12814554 YAFOBIACJBQAMD-CMDGGOBGSA-N 343.810 5.447 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(Cl)cc1F 13792425 RSBZQOFWLBTXRW-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@@H](c2cccs2)C1 17066626 LJOFYOLUWKIQHF-OAHLLOKOSA-N 325.412 5.145 0 40 EKAB Cc1ccn2c(Nc3cccc(Cl)c3)c(-c3ccc(O)cc3)nc2c1 35616060 XRDDJNLCESOHQK-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB Cc1ccc(-c2nn3c(NC4CCCCC4)cc(C)nc3c2C)cc1 40216919 CRJXAOVHTRWUCR-UHFFFAOYSA-N 334.467 5.066 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 44901394 AADASXBAPVPGEK-MRXNPFEDSA-N 325.905 5.050 0 40 EKAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(c3cccnc3)=CC[C@H]12 56955990 GZOSMCIZMLWJML-XOAOUOCQSA-N 349.518 5.399 0 40 EKAB biogenic Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(F)cc3)n2C)c(C)c1 58215707 RNSDKUOUOZISCX-UHFFFAOYSA-N 336.410 5.009 0 40 EKAB Oc1ccc(C2(c3ccc(O)c(Cl)c3)C[C@H]3CC[C@H]2C3)cc1Cl 104214403 XFWTYSLRYZAOMG-RYUDHWBXSA-N 349.257 5.511 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C 223402418 APDGOBGVLLTXCF-IBGZPJMESA-N 343.470 5.770 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 224473705 IUZNNHSIXJWPNX-RHSMWYFYSA-N 341.948 5.543 0 40 EKAB O=C(O)[C@H](Cc1cccc2ccccc12)Sc1ccc(Cl)cc1 225049592 KLHLTMCXCXSLFQ-SFHVURJKSA-N 342.847 5.281 0 40 EKAB CSc1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225325990 PNNKSUJULRYANL-UHFFFAOYSA-N 340.275 5.287 0 40 EKAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cc1 225743984 IPAGDOQQBLMRLQ-FQEVSTJZSA-N 335.488 5.180 0 40 EKAB Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 226347980 JERVABKWTNZILZ-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB CC(C)Oc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 408630903 XSZRPBNFDDXSGK-UHFFFAOYSA-N 345.398 5.626 0 40 EKAB Fc1ccc(OCCN2CCCCC2)c(Oc2cccc(Cl)c2)c1 585265008 BNLJRDDKRGOGKF-UHFFFAOYSA-N 349.833 5.136 0 40 EKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\Cc3ccco3)c2c1 148594 MPVGHGDVDXWFTQ-RELWKKBWSA-N 335.790 5.447 0 40 EKAB O=C(N/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 1388865 PKIXWCPYCURPTH-BQYQJAHWSA-N 341.625 5.439 0 40 EKAB Cc1ccccc1C1(c2ccccc2C)C[C@H]1C(=O)Nc1ccccc1 1436486 PLDYEOXFLVBGKK-QFIPXVFZSA-N 341.454 5.248 0 40 EKAB CCCc1ccc([C@]2(C)CC(C)(C)N(C(C)=O)c3ccccc32)cc1 1456305 IFRCSCUSLBTKCF-QHCPKHFHSA-N 335.491 5.480 0 40 EKAB Cc1nc(Oc2cccc3ccccc23)c2c3c(sc2n1)CCCC3 2452082 KZQRHWYOSALHCR-UHFFFAOYSA-N 346.455 5.824 0 40 EKAB COc1ccccc1[C@H](CCNC/C=C/c1ccccc1)c1ccco1 4086473 FLPYFEIQMHIWLA-AKERNLMBSA-N 347.458 5.113 0 40 EKAB biogenic CCc1ccc(NC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 6168813 MJHPNMBECAKSLF-UHFFFAOYSA-N 345.442 5.389 0 40 EKAB C[C@H](NCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 7538814 GRYOSXVHLYMLQQ-ZDUSSCGKSA-N 346.257 6.104 0 40 EKAB COc1cc2c(cc1NC(=O)c1ccc(C)s1)oc1ccccc12 7971216 SUFYNEIXOFESMN-UHFFFAOYSA-N 337.400 5.217 0 40 EKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1ccccn1)c1ccccc1 8705489 ZTUGSOUZTWJPOQ-OAQYLSRUSA-N 344.439 5.279 0 40 EKAB CCc1ccc([C@@H](NC(=O)Nc2ccccc2)c2cccs2)cc1 12590251 OZZFYRFJDWMLNJ-LJQANCHMSA-N 336.460 5.222 0 40 EKAB CCn1c(-c2ccc(OC)c(Cl)c2)cs/c1=N\c1ccccc1 16741623 NFTSFVJXRTVRJL-ZZEZOPTASA-N 344.867 5.131 0 40 EKAB CC[C@H](C)c1ccccc1O[C@@H](C)CNc1ccccc1OC(C)C 19737493 PDSBZNHGOYNLTC-ROUUACIJSA-N 341.495 5.867 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1cccc(F)c1 19879360 FLKMWFWTSZVEMZ-NRFANRHFSA-N 331.394 5.212 0 40 EKAB CC(C)c1ccc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(F)cc2)cc1 19927720 XCURUCBCVTUELW-YJYMSZOUSA-N 329.440 5.116 0 40 EKAB COc1ccc(/C=C(/C(=O)N(C)C2CCCCC2)c2ccccc2)cc1 30862111 XLHUTSDEGBADMS-OQKWZONESA-N 349.474 5.027 0 40 EKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 40925975 AGDXBBWSDDZGTQ-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CCc1ccc2c(c1)CCCN2C(=O)Nc1ccc(C(C)(C)C)cc1 59461465 AEKDPBGMYXCVIA-UHFFFAOYSA-N 336.479 5.531 0 40 EKAB COc1ccc([C@H]2CCCCCN2C(=O)CCC2CCCC2)cc1 71810132 RJUWRUSBJOCMMS-HXUWFJFHSA-N 329.484 5.109 0 40 EKAB O=C(Cc1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 96283172 SZIRHJGXOWJXHP-UHFFFAOYSA-N 348.151 5.193 0 40 EKAB CC(C)C1(O)[C@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 102672128 QTCCWCRPTWVSSV-RTYZCEEYSA-N 337.507 5.074 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)NCCc2ccc(Cl)cc2)cc1 223383430 RPKRFZUCXLEBOK-MDWZMJQESA-N 341.882 5.010 0 40 EKAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)cc1Cl 225475784 OXNZYJDTEHZBDA-ZDUSSCGKSA-N 348.899 5.013 0 40 EKAB CC1=C[C@H](C)[C@@H]2CO[C@@H](c3ccccc3OCc3ccccc3)[C@@H]1[C@H]2C 252444328 DUWXMXJIRAGQTJ-RLJUXOAGSA-N 348.486 5.801 0 40 EKAB CC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)cc2)c2cc(C)ccc21 169644 HASLPBCJRPBWCY-UHFFFAOYSA-N 340.854 5.882 0 40 EKAB Cc1ccc(OC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1C 359279 CCMDBDPMGUDAOE-UHFFFAOYSA-N 326.779 5.436 0 40 EKAB Nc1ccc2oc(-c3cc(-c4ccccc4)nc4ccccc34)nc2c1 570087 QXCAYKWVZZDMSQ-UHFFFAOYSA-N 337.382 5.292 0 40 EKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(Cl)cc1 1385578 ZMTCLLYFHQNOQS-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB COc1ccc(-c2c/c(=N/C3CCCCC3)c3cc(C)ccc3o2)cc1 1805895 KHIAEWGQUQBZQU-FLFQWRMESA-N 347.458 5.650 0 40 EKAB Cc1cccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)c1C 3101248 RXQCZGKJMJIKMA-JOCHJYFZSA-N 329.443 5.730 0 40 EKAB O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccccc1F 4279313 HQFPQRWYMUHMRV-UHFFFAOYSA-N 346.386 5.335 0 40 EKAB Clc1cccc(Nc2ncnc3c2oc2ccc(Cl)cc23)c1 5162707 CRHZOWQVHDPJEC-UHFFFAOYSA-N 330.174 5.426 0 40 EKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1nc2ccccc2s1 5705095 ZYPOUZAJAYSZMO-SOFGYWHQSA-N 349.242 5.255 0 40 EKAB O=C(c1ccccc1Nc1cccc(C(F)(F)F)c1)N1CCCCC1 8394694 HZIFKZKLAFMLFA-UHFFFAOYSA-N 348.368 5.075 0 40 EKAB Fc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 9186700 HAVHOUUXUUMQOC-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB Clc1cccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)c1 12971039 IXKOPXXVBSDIHE-UHFFFAOYSA-N 343.817 6.032 0 40 EKAB CSc1ccc(Cl)c(C(=O)Nc2c(C)cc(C)cc2Cl)c1 14669497 WMZYJJNDTKLKTK-UHFFFAOYSA-N 340.275 5.584 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2cccc(Br)c2)c1 16944071 OLSIHVXZCXMFDU-UHFFFAOYSA-N 349.297 5.381 0 40 EKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 20453417 ALWLBTHFVFXMIK-ICFXLVBESA-N 331.415 5.088 0 40 EKAB COc1ccc(Cl)cc1Nc1cc(C)c2cc(C)cc(C)c2n1 41127808 KCPYKYCEUPLCJF-UHFFFAOYSA-N 326.827 5.566 0 40 EKAB CCSc1ncc(-c2ccc(C)cc2)n1-c1cccc(Cl)c1 44087285 OLMRJQHYJSJGAF-UHFFFAOYSA-N 328.868 5.613 0 40 EKAB C1=C\[C@H]([C@H]2/C=C\CCCCCCCCC2)CCCCCCCCC/1 71785892 ZVQLJQKZIPBSRE-VDHNJSJISA-N 330.600 8.380 0 40 EKAB Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 408780290 WXCZZIVFMMYLEV-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB CC[C@@H](C(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccccc1 575360077 CNTUWSNNPRVCJS-OAHLLOKOSA-N 340.316 5.300 0 40 EKAB O=C(Nc1cc(Cl)nc(Cl)c1)Sc1ccc(Cl)cc1 162960 MNUMLKCKVWEGCM-UHFFFAOYSA-N 333.627 5.366 0 40 EKAB Clc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 502109 JJDYQVADIMGEEN-UHFFFAOYSA-N 341.823 5.032 0 40 EKAB Nc1c(Cl)cc2c(c1Cl)Cc1c-2cc(Cl)c(N)c1Cl 1609833 AUCXGULQEFPDLQ-UHFFFAOYSA-N 334.033 5.036 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 1913891 FOJWKWYMGFQYOI-UHFFFAOYSA-N 325.452 5.026 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3ccccc23)c1 3083758 XXEGOFPGZGJIGA-UHFFFAOYSA-N 333.431 5.289 0 40 EKAB CCCCSCCCCCCCCCCC(=O)Nc1ccccc1 5298527 NAWBJJXEHKYDRG-UHFFFAOYSA-N 349.584 6.669 0 40 EKAB COC1=C(c2ccccc2)[P@](=O)(Cc2ccccc2)[C@H]2CCC[C@H]12 5340514 AKWNNMKWUQSOIX-JXQFQVJHSA-N 338.387 5.747 0 40 EKAB O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1Cl 6283314 MCQORSLWVWYCFR-UHFFFAOYSA-N 337.806 5.025 0 40 EKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1CC=CCC1 7987869 MDKFAUNJUMPLEZ-AWEZNQCLSA-N 334.444 5.258 0 40 EKAB CCCCOc1ccc(/C=C\C(=O)OC[C@@H](CC)CCCC)cc1 8622536 NWSWTXGGTKZDFO-NZHZHZHDSA-N 332.484 5.638 0 40 EKAB CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 9141009 FELHACDDXZQGKJ-UHFFFAOYSA-N 344.867 5.601 0 40 EKAB C[C@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CCCC4 12610088 ZVUAENSITXZXKI-AWEZNQCLSA-N 333.500 5.967 0 40 EKAB CC[C@@H](C)Cn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13068582 LZDNQEVIQLDIQR-RTBURBONSA-N 348.534 6.433 0 40 EKAB CN(Cc1ccsc1)C(=O)/C=C/c1sc2ccccc2c1Cl 24384695 YTJQGCXWEHNVRH-VOTSOKGWSA-N 347.892 5.288 0 40 EKAB Cc1ccc(-c2nnc([C@@H](C)Sc3ccc(F)c(F)c3)o2)cc1 39979562 YCQBASHEWDOBIX-LLVKDONJSA-N 332.375 5.177 0 40 EKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccccc3C)oc12 67339922 ASEZIIFJFBXQLD-BQYQJAHWSA-N 341.794 5.055 0 40 EKAB Cc1cccc(Cl)c1NC(=S)Nc1cccc(Cl)c1C 71761784 CQZVHLDXAAVVAJ-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB CCSc1ccccc1NC(=O)c1oc2cc(C)cc(C)c2c1C 80344490 BHZPEKMHRYEIFL-UHFFFAOYSA-N 339.460 5.722 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21OCCS1 118914912 JIFTUOBNCNREQG-MDRCSNFJSA-N 348.552 5.058 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)CCCC2 165556589 GXIGZJKSGKEXBT-UHFFFAOYSA-N 343.426 5.610 0 40 EKAB COc1ccc2c(C)cc(Sc3cccc4cccnc34)nc2c1 63767 MDQDGJSPCCNQFP-UHFFFAOYSA-N 332.428 5.251 0 40 EKAB CCCN(CCC)Cc1ccccc1Sc1ccc(OC)cc1 346219 MECOLOGGEAOSSR-UHFFFAOYSA-N 329.509 5.468 0 40 EKAB CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1 489494 LCWHOMOZMJEPEV-QFIPXVFZSA-N 345.527 5.047 0 40 EKAB O=C(/C=C/c1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 587327 OZNYTLWWUDGUOJ-ZZXKWVIFSA-N 344.600 5.438 0 40 EKAB CCn1c(-c2cccnc2Cl)nc2cc(Cl)c(Cl)cc21 1382144 ALZIGXJWEGUJRY-UHFFFAOYSA-N 326.614 5.078 0 40 EKAB CC(C)(Cl)C(C)(C)CN(Cc1ccccc1)Cc1ccccc1 2145273 FIGKKSRDKRGXAN-UHFFFAOYSA-N 329.915 5.732 0 40 EKAB Fc1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1 2311265 RBMNUSLAEVLJBY-UHFFFAOYSA-N 348.808 6.203 0 40 EKAB CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(C)cc1 2453556 RTIQJQUUPGXSSH-JXMROGBWSA-N 335.476 5.079 0 40 EKAB Clc1ccccc1N1N=C(c2cccs2)C[C@H]1c1ccccc1 4154936 XRFVEJZGQDMQPV-SFHVURJKSA-N 338.863 5.757 0 40 EKAB Cn1c(-c2ccccc2)cnc1NCc1ccc(Cl)c(Cl)c1 4678390 ATMUNXPKGFBBBA-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl 4699027 IGJDPYGHDZEHAF-UHFFFAOYSA-N 348.151 5.573 0 40 EKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C#N)CC[C@H]32)C1 5383298 QUGXMPWNBWSXCH-XZNYGTFNSA-N 341.495 5.021 0 40 EKAB biogenic Cc1cc(OCC(=O)Nc2c(C)cccc2C(C)C)cc(C)c1Cl 5755994 OKYLHNZVBLVZFD-UHFFFAOYSA-N 345.870 5.406 0 40 EKAB CCCCc1ccc2nc(C)c(CN(C)C3CCCCC3)c(O)c2c1 8717222 JXKGISUCXZFHKQ-UHFFFAOYSA-N 340.511 5.356 0 40 EKAB CC(C)Oc1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1 10372378 CVCHTGFKZVDXPV-UHFFFAOYSA-N 325.452 5.169 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccccc1 10463718 BQPMRIGAOGDVFG-MRXNPFEDSA-N 335.234 5.362 0 40 EKAB C[C@@H]1CCCCN1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 11612383 GYRZBCOYENNPNE-CQSZACIVSA-N 337.854 5.329 0 40 EKAB C[C@@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CCCC4 12610086 ZVUAENSITXZXKI-CQSZACIVSA-N 333.500 5.967 0 40 EKAB C[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 12924566 OBTVGBXDSJSONZ-LBPRGKRZSA-N 329.852 5.088 0 40 EKAB CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C 13516722 QGNJRVVDBSJHIZ-WLKUGENLSA-N 328.496 6.081 0 40 EKAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)c(C)c1 13815222 NKXLCZBBGAOJTR-UHFFFAOYSA-N 339.291 5.097 0 40 EKAB CC(C)Sc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 44087461 XDOGXBYFGJHFDU-UHFFFAOYSA-N 328.868 5.693 0 40 EKAB Fc1ccc2nc(-c3cc(Cl)c(Cl)c(Cl)c3)sc2c1 45920124 ZAHJKCBFFDBVKA-UHFFFAOYSA-N 332.614 6.063 0 40 EKAB Cc1ccc(-c2nc(-c3nc(-c4ccccc4)c(C)[nH]3)cs2)cc1 95468303 ALKRYDLWOAQWDL-UHFFFAOYSA-N 331.444 5.484 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(CC)cc1 222896829 IBXMGDKDORFMII-SFHVURJKSA-N 343.492 5.157 0 40 EKAB Fc1cccc(-c2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)c1 257293162 QOKAAFXODXGXMO-JOCHJYFZSA-N 347.437 5.010 0 40 EKAB C[C@@H](NC1(c2ccccc2Cl)CC1)c1cnc2ccsc2c1 647315962 HSANJEZHFRURJQ-GFCCVEGCSA-N 328.868 5.290 0 40 EKAB Cc1cc(Nc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2O)n1 536129 JERSBUHHDWVNOK-UHFFFAOYSA-N 346.217 5.208 0 40 EKAB Clc1ccc(/C(=C\Br)c2ccccc2Cl)cc1 1690477 QCCRPLPTELVLHD-UKTHLTGXSA-N 328.036 5.778 0 40 EKAB CC[C@@H](C(=O)NC1c2ccccc2Oc2ccccc21)c1ccccc1 1865416 JMSRZBCLYXTQLP-QGZVFWFLSA-N 343.426 5.192 0 40 EKAB Fc1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1 2269992 DOYCFFPNGFULMF-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB C[C@@H]1CCCC[C@H]1NC(=O)c1sc2cc(Cl)ccc2c1Cl 3287303 XUJGIQQXIYOIOA-BXKDBHETSA-N 342.291 5.517 0 40 EKAB Cc1ccn2c(Nc3ccccc3C)c(-c3ccc(O)cc3)nc2c1 4733732 GSPPIPJTKGQDKM-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB Clc1ccccc1/C=C1\c2ccccc2-c2nc3ccccc3nc21 4896868 XTAKIMMCGNQOJN-GHRIWEEISA-N 340.813 5.853 0 40 EKAB Cc1ccc(C)c(OCCCn2cc(C(=O)C(C)C)c3ccccc32)c1 6415209 PSKMWRIQCNSQFJ-UHFFFAOYSA-N 349.474 5.566 0 40 EKAB Cc1cc(OCCN2CCCC[C@@H]2c2cccnc2)cc(C(C)C)c1 6624317 WUFWLZQGLYJQJB-JOCHJYFZSA-N 338.495 5.119 0 40 EKAB biogenic CCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 7262296 SDOSCKHWUVCFNX-UHFFFAOYSA-N 339.866 5.572 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1ccccc1SC(C)C 8477967 ODOOZYFNTRZSLO-UHFFFAOYSA-N 327.493 5.564 0 40 EKAB Cc1ccnc(N[C@@H](c2ccc(F)cc2)c2c(C)[nH]c3ccccc23)c1 13062705 WNAUFUOFLFCSLH-QFIPXVFZSA-N 345.421 5.520 0 40 EKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1 13708900 KBCHTGFBOKQYPK-MRXNPFEDSA-N 341.410 5.399 0 40 EKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 13709204 TZKRULCISSUSLO-LBPRGKRZSA-N 343.785 5.038 0 40 EKAB O=C(/C=C/c1ccco1)Nc1ccccc1Oc1ccccc1Cl 15710434 QFEZZMVHZHYLPJ-VAWYXSNFSA-N 339.778 5.377 0 40 EKAB O=C(Nc1ccncc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 22260326 BNGQCOGJTMYHFW-UHFFFAOYSA-N 342.320 5.020 0 40 EKAB CC(C)(C)C(=O)Nc1cccc(NCc2c(F)cccc2Cl)c1 25524522 CALJVZTVSTUYKQ-UHFFFAOYSA-N 334.822 5.076 0 40 EKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1C 27583568 HNRLTTGTGVRBSD-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SC1CCCC1 44086669 GAFNVGZUXXIIFF-UHFFFAOYSA-N 334.488 5.882 0 40 EKAB c1ccc2c(c1)CCC[C@H]2SCc1nc(-c2ccsc2)no1 58432681 XSZDRUOWZHVSFF-OAHLLOKOSA-N 328.462 5.109 0 40 EKAB C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 59291951 UGAZBFXYTMKETC-ZDUSSCGKSA-N 330.859 5.520 0 40 EKAB Clc1ccc(Cl)c(CNC2(c3nccs3)CCCC2)c1 72308877 YVXLPVPZKKXNGD-UHFFFAOYSA-N 327.280 5.009 0 40 EKAB C[C@@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)[C@@H](C)c1cccs1 95960712 HESYJLYCZDPFBB-QWRGUYRKSA-N 348.411 5.004 0 40 EKAB Cc1ccc(COc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 226295002 OLGOUMJCVKORGP-UHFFFAOYSA-N 329.399 5.691 0 40 EKAB Cc1cc(C)nc(SCc2c(Cl)ccc(Cl)c2Cl)n1 131016 ZXKDSAIMODXKCK-UHFFFAOYSA-N 333.671 5.346 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1Cl 364216 OPRSYNBIKOQAFT-OAHLLOKOSA-N 329.871 5.589 0 40 EKAB Cc1ccccc1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 557491 RVEVXDRKTCHYNY-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2ccco2)cc1 3278909 LAQONZXSYYHLAD-CCEZHUSRSA-N 346.430 5.478 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1c(F)cccc1Cl 3279343 UXOPPUAANQHFKF-UHFFFAOYSA-N 341.769 5.524 0 40 EKAB C(Nc1ccccc1)=C(/C=N/c1ccccc1)/C=N/c1ccccc1 3296931 CBULISNBJCRDGL-WZGDJCGDSA-N 325.415 5.787 0 40 EKAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 4673407 XWWPWUQHZIORAU-UHFFFAOYSA-N 346.430 5.077 0 40 EKAB Cc1oc(-c2ccccc2Cl)cc1C(=O)Nc1ccccc1Cl 5033285 HCRNMEVETWCKKY-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 5424573 LKMSJKHXTNIZMI-KRWDZBQOSA-N 347.483 5.073 0 40 EKAB C[C@H](c1ccccc1)C1N(c2ccccc2)CCN1c1ccccc1 5551403 FJEQFEQBWAZARY-LJQANCHMSA-N 328.459 5.143 0 40 EKAB Cc1ccc(C2=NN=C(c3ccc(C)cc3)c3cc(C)ccc3N2)cc1 6076808 KMCIDEJXPPKXFW-UHFFFAOYSA-N 339.442 5.237 0 40 EKAB CCC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 6289001 NRRFPPHJBDXUMD-QFIPXVFZSA-N 343.470 5.476 0 40 EKAB Cc1ccccc1-c1cc(-c2ccccc2F)c2cc(Cl)ccc2n1 7847835 CGYMXVDMGDBDQF-UHFFFAOYSA-N 347.820 6.670 0 40 EKAB Clc1ccc(OCCCCSCc2nc3ccccc3[nH]2)cc1 7998513 FZHATPJUMVQVIP-UHFFFAOYSA-N 346.883 5.309 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709230 QELPCXSZBJYKHP-INIZCTEOSA-N 347.458 5.371 0 40 EKAB Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13792007 JAUKFHXLAKBZCV-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB CCc1ccccc1NC(=O)CCc1ccc(-c2ccc(OC)cc2)o1 15867344 FWKJYHIXWFVELH-UHFFFAOYSA-N 349.430 5.089 0 40 EKAB CC(C)c1ccc(NC(=S)N(C)C23CC4CC(CC(C4)C2)C3)cc1 17071605 VEOCFJPLNVIBPM-UHFFFAOYSA-N 342.552 5.407 0 40 EKAB Cc1cccc(O[C@H](C)CNc2cccc(OCc3ccccc3)c2)c1 19738468 UXUSVNORTCUIAP-LJQANCHMSA-N 347.458 5.453 0 40 EKAB O=C(c1ccccc1)N(Cc1cccs1)c1ccccc1Cl 27664012 ITHJCRSYYCNHBD-UHFFFAOYSA-N 327.836 5.249 0 40 EKAB c1ccc(-c2cc(CSCc3cc(-c4ccccc4)no3)on2)cc1 30526253 FPNDJTHCNORURG-UHFFFAOYSA-N 348.427 5.430 0 40 EKAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(C)cc1 30860281 YIEZTYHZOZCKOW-PXNSSMCTSA-N 339.479 5.153 0 40 EKAB C[C@H]1CCc2c(sc3nc(Cc4ccccc4)nc(Cl)c23)C1 35524077 RBENVBPAVNTPTG-NSHDSACASA-N 328.868 5.060 0 40 EKAB Cc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1C 39892934 JHMSQMBZRRJXDZ-UHFFFAOYSA-N 341.838 5.501 0 40 EKAB CC(C)(C)c1ccc(C2(C(=O)Nc3cccc4[nH]ccc34)CC2)cc1 65492690 RNKFHIRDWNMZHQ-UHFFFAOYSA-N 332.447 5.136 0 40 EKAB O=C(NCCC1=CCCCC1)c1cc2cc3ccccc3nc2s1 223126745 JUSYLRAAXXMNAU-UHFFFAOYSA-N 336.460 5.070 0 40 EKAB Cc1cccc([C@@H](NC(=O)Cc2ccccc2Cl)c2ccccc2)c1 225440723 PWOYMOXAPPUSDE-QFIPXVFZSA-N 349.861 5.097 0 40 EKAB Cc1ccc(NC(=S)NCCCSC2CCCCC2)cc1C 225589609 CNNCVNVTOFKKNU-UHFFFAOYSA-N 336.570 5.046 0 40 EKAB Clc1cccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 587072094 VDIVPPLEECACHQ-UHFFFAOYSA-N 334.806 5.462 0 40 EKAB Cc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1C 70753 HBORDQWCDJQPHB-UHFFFAOYSA-N 348.427 5.277 0 40 EKAB Cc1cccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)c1 180033 MNYRSRUDIXKZOG-INIZCTEOSA-N 338.259 5.080 0 40 EKAB O=C(CSc1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl 1402829 LMFDWQUJHPCPRZ-UHFFFAOYSA-N 346.666 5.378 0 40 EKAB CCCCC(=O)Nc1cccc2c(NC(=O)CCCC)cccc12 2023685 AYECQZGFKHIBTK-UHFFFAOYSA-N 326.440 5.097 0 40 EKAB biogenic CCCCSc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 2127072 RXCJSPFRNBHMAJ-UHFFFAOYSA-N 343.521 5.319 0 40 EKAB Fc1ccc(Nc2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 2570938 HGRBRVFIVBWWNP-UHFFFAOYSA-N 339.222 6.000 0 40 EKAB CC(C)c1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 3332644 JITLSOVUJAABML-FMIVXFBMSA-N 331.362 5.063 0 40 EKAB COc1ccc(NC(=O)Oc2ccc(-c3ccccc3)c(F)c2)cc1 4060676 AGXWLEHLAVKRDX-UHFFFAOYSA-N 337.350 5.112 0 40 EKAB CCSc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 5241073 SQBIWOXFBHBADJ-UHFFFAOYSA-N 340.473 5.174 0 40 EKAB O=C(Nc1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F 8337916 ZZKMWDMXXLEQEI-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1[nH]c2cc3nc(-c4ccccc4)cc(-c4ccccc4)c3cc2c1C 8664902 RQIATVJNMQNUBB-UHFFFAOYSA-N 348.449 6.667 0 40 EKAB CCOc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 9141511 UMBLLESFRMLDDH-UHFFFAOYSA-N 325.795 5.144 0 40 EKAB CN(c1ccccc1)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 16188826 FTKPZKNOLCIALB-UHFFFAOYSA-N 345.833 5.718 0 40 EKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(C)cc1 20452421 MMSROOVJFBGJBK-GOSISDBHSA-N 347.911 5.149 0 40 EKAB Cc1cccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)c1 26456396 GPVRTHHANHIEKD-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB O=C(CSc1cccc2ccccc12)Nc1ccc2ccccc2c1 32692326 KTVARYQVAJHUOJ-UHFFFAOYSA-N 343.451 5.724 0 40 EKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(Oc2ccccc2)cc1 33601495 CHAXVTRPJFTHIO-XDHOZWIPSA-N 347.801 5.625 0 40 EKAB Clc1cccc(Cl)c1OCc1ccccc1Br 70136076 DTZHPBYBHUPGJH-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CCCCCC[C@]1(C)Nc2ccccc2-c2nc(-c3ccccc3)nn21 97105486 RCUUSBFWKWPCNH-JOCHJYFZSA-N 346.478 5.681 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3ccc(Cl)c(Cl)c3)nc2c1 199797604 WRWIBYBDZLWRMG-UHFFFAOYSA-N 334.246 6.023 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408535172 YEWFUZALMGIMKR-UHFFFAOYSA-N 341.451 5.133 0 40 EKAB COc1ccccc1/C=C/C(=O)Nc1c(C(C)C)cccc1C(C)C 149621 RUHOOZMSJSZDQR-BUHFOSPRSA-N 337.463 5.594 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccccc2)n1 1401173 UWKQXUMWIHAVOQ-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB CC(C)c1ccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)cc1 3295089 VISGQNLJXZYTLD-UHFFFAOYSA-N 349.525 5.112 0 40 EKAB CCC[C@@H](C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846417 GTJWLICNGQSVJA-AFYVEPGGSA-N 344.495 5.290 0 40 EKAB CC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 6846297 WSZRMYIKIUWRIQ-UHFFFAOYSA-N 333.387 5.018 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 7264173 UKZNQVQFKYGXEI-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB CSc1ncccc1C(=O)Nc1c(C(C)C)cccc1C(C)C 7669067 BXXCKBUZLYKRHW-UHFFFAOYSA-N 328.481 5.303 0 40 EKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)C(C)(C)C)c3C)nc2c1 14257960 MGNLXFGDJPQFAM-UHFFFAOYSA-N 336.435 5.405 0 40 EKAB Cc1ccc(-c2cc(Nc3cccc4cccnc34)nc(C)n2)cc1 15859136 NZVOPXOBXHQLKB-UHFFFAOYSA-N 326.403 5.052 0 40 EKAB Cc1cccc([C@@H]2CCCN2Cc2nc(-c3cccs3)oc2C)c1 58045326 CGXQDBJJTJDIAA-SFHVURJKSA-N 338.476 5.357 0 40 EKAB CN(C(=O)c1cccc2ncccc12)c1ccccc1-c1ccccc1 64815320 HFZFLWPQTYQRBK-UHFFFAOYSA-N 338.410 5.178 0 40 EKAB CC(C)Sc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72217508 KGATWCCRHQKBMP-LJQANCHMSA-N 326.509 5.309 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1 225661178 GJHKQFHJNSODGN-LAUBAEHRSA-N 347.499 5.180 0 40 EKAB Cc1c(C(=O)C(F)(F)Br)sc2ccc(Cl)cc12 575362379 XWYZFUOXDZPLHA-UHFFFAOYSA-N 339.588 5.034 0 40 EKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 187545 AMGBBESZEJMYMZ-UHFFFAOYSA-N 338.410 5.463 0 40 EKAB c1ccc(C(Sc2ccc3c(c2)OCCO3)c2ccccc2)cc1 3419347 QYUURSLRNQGBKL-UHFFFAOYSA-N 334.440 5.340 0 40 EKAB Cc1ccc2c(c1)C(=O)c1ccc(C3CCSCC3)cc1CS2 4128152 JBQPTDCJDDEXMC-UHFFFAOYSA-N 340.513 5.442 0 40 EKAB CCCCC(=O)N(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880678 ZEWXQRYEMONWCT-UHFFFAOYSA-N 345.512 5.046 0 40 EKAB C[C@]1(c2ccccc2)OC[C@H](Cn2c3ccccc3c3ccccc32)O1 5336145 RYBITZWRYHVUHB-MBSDFSHPSA-N 343.426 5.083 0 40 EKAB CO[C@@](C)(OCCn1c2ccccc2c2ccccc21)c1ccccc1 5798636 HEIRWBBXJSKKSH-QHCPKHFHSA-N 345.442 5.330 0 40 EKAB c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 6550252 PQZOJXYSZWLDNP-UHFFFAOYSA-N 336.398 5.083 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C(C)C 8479992 KHUXVXRVGMLVBI-SFHVURJKSA-N 345.870 5.568 0 40 EKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 9063957 FNFWTTNUBCRVKS-UHFFFAOYSA-N 341.414 5.045 0 40 EKAB C[C@@H]1Cc2cc(CNc3ccc(Oc4ccccc4)cc3)ccc2O1 10299509 RUSSVFQTUDLFJC-MRXNPFEDSA-N 331.415 5.414 0 40 EKAB CC(=O)N1CCc2cc(-c3nc(-c4ccc(C)cc4)sc3C)ccc21 12797737 AKOIFGUHAUPFQV-UHFFFAOYSA-N 348.471 5.003 0 40 EKAB CCCCCC[C@@H](O)C/C=C\CCCCCCCCCC(=O)OC 14449849 NIOKVQPUJKYTOZ-NLBZTSMMSA-N 340.548 5.948 0 40 EKAB O=C(Nc1ccccc1SCc1ccsc1)c1ccccc1 15720110 FFYYQBRXSMXOLN-UHFFFAOYSA-N 325.458 5.293 0 40 EKAB CCCCCC[C@@H](Cn1ccnc1)c1ccc(Br)cc1 17106766 AGFKAHBLYYNKBG-INIZCTEOSA-N 335.289 5.400 0 40 EKAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Cl 22776996 BNXJFFAETACYOV-CYBMUJFWSA-N 346.261 5.030 0 40 EKAB Cc1cccc2sc(-c3cc(Br)ccc3Cl)nc12 45946782 AEHHFOACPDKVMJ-UHFFFAOYSA-N 338.657 5.688 0 40 EKAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101219514 AIJUCQNLSCBZSR-UNMCSNQZSA-N 339.442 5.491 0 40 EKAB O=C1/C(=C/c2c(F)cccc2Cl)c2ccccc2N1c1ccccc1 136394012 URMCREUNQBWANX-DTQAZKPQSA-N 349.792 5.698 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 222655610 PLBJYKMNYQYDBP-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc2ccccc12 222944932 BPSRMONJKLOJJB-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 225644531 TVOUUXARFUSYEV-MRXNPFEDSA-N 325.452 5.087 0 40 EKAB CCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 408586555 NWEACIKUDBBUSU-UHFFFAOYSA-N 347.414 5.520 0 40 EKAB CCc1ccc2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 74932 IYARUGZXPZVKSM-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB Oc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 412146 HJKSAXUQEODMFO-UHFFFAOYSA-N 341.842 5.105 0 40 EKAB c1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2074853 UEDCZBWXVGGJND-UHFFFAOYSA-N 328.440 6.221 0 40 EKAB biogenic Cc1ccc(Sc2ccc(/C=C3/SC(=S)N=C3O)o2)cc1 2592263 RSJNZNIOUINBPT-XYOKQWHBSA-N 333.459 5.068 0 40 EKAB CCOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 3343274 USAACOUNJDMUBR-UHFFFAOYSA-N 341.414 5.439 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccco2)nc2ccccc12 6342272 KJBOVAUVOZQMTI-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB O=C(Nc1cccc(Cl)c1)Nc1ccc(OC(F)F)c(Cl)c1 6584012 WIFAAKGHHNVGHI-UHFFFAOYSA-N 347.148 5.239 0 40 EKAB C(=C/c1ccccc1)\CSc1nnc(-c2cccs2)n1C1CC1 7763736 QADUWZGSTXFEEU-XBXARRHUSA-N 339.489 5.147 0 40 EKAB Cc1c(-c2cccs2)nc2ccc(Cl)cc2c1-c1ccccc1 7846846 DKJOCGTZJDLQQE-UHFFFAOYSA-N 335.859 6.592 0 40 EKAB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1 8371861 KEXNBXLHFBOLAE-OEAKJJBVSA-N 345.398 5.023 0 40 EKAB COc1ccc(-c2c/c(=N/c3ccccc3)c3cc(C)ccc3o2)cc1 12374310 LTNFGBDLIDIUFI-FLFQWRMESA-N 341.410 5.649 0 40 EKAB Cc1cccc(-c2c3c(nc4sc5c(c24)CCCC5)CC[C@@H](C)C3)c1 12610116 TWFYKVFUQWLEMG-OAHLLOKOSA-N 347.527 6.275 0 40 EKAB Cc1ccc(N2C(=S)N=C(Nc3cccc(C)c3)C23CCCC3)cc1 15162289 PKKFWPIIHLZDST-UHFFFAOYSA-N 349.503 5.232 0 40 EKAB CCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C 40158947 DCHGOZZGTXCTBU-UHFFFAOYSA-N 344.505 5.100 0 40 EKAB Cc1ccccc1-c1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1 71977932 CGEGJLUPXAFVFU-UHFFFAOYSA-N 330.218 5.008 0 40 EKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3Br)[nH]c2c1 73638141 JNDYEDVPJFKUOV-UHFFFAOYSA-N 335.632 5.263 0 40 EKAB CCCC[C@H](C)CCOC(=O)/C=C\C(=O)OCC[C@@H](C)CCCC 104172237 CLGJLUYIBOKHCU-NJYOSPNCSA-N 340.504 5.062 0 40 EKAB CC(C)c1ccc(CCCNC(=O)C2(c3ccccc3)CCCC2)cc1 222599139 PZTZPYMVTQIJLX-UHFFFAOYSA-N 349.518 5.371 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 223116709 CXHUBJRPBOPLNK-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)C(C)(C)C)cc1 224382302 PANIZYACVPFANA-UHFFFAOYSA-N 333.815 5.126 0 40 EKAB Cc1ccc(-c2[nH]c(=Nc3ccccc3Cl)sc2C)cc1C 409049991 ZFICSIYMZLEAET-UHFFFAOYSA-N 328.868 5.554 0 40 EKAB C[C@@H](Cc1csc2ccccc12)NC(=O)Nc1ccccc1Cl 618257599 YXIPJVYGXAJQTJ-LBPRGKRZSA-N 344.867 5.307 0 40 EKAB CC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 381092 FPHCZCFTBPTYFV-CYBMUJFWSA-N 338.838 5.084 0 40 EKAB Cc1cc(C)c(C2(C)CC(C(=O)c3cc4ccccc4o3)C2)c(C)c1 1104893 LRKVETHWFYBIFR-UHFFFAOYSA-N 332.443 5.909 0 40 EKAB biogenic CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 1675515 LBGCQMWKTKHISP-GIPCDWCDSA-N 332.528 5.741 0 40 EKAB biogenic CCc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 2232204 HFJVABIPSARBEX-UHFFFAOYSA-N 342.446 5.319 0 40 EKAB C1CCC2=C(CC1)SC(=C1SC3=C(CCCCC3)S1)S2 3091296 DOBUGEQDSRUKIH-UHFFFAOYSA-N 340.604 7.424 0 40 EKAB CCCCC(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 3655545 ZMJXXHUCEMPFHD-UHFFFAOYSA-N 335.403 5.101 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2ccc(F)cc2)nc2cnccn12 3896552 IGSHWIGYLDQWOS-UHFFFAOYSA-N 346.409 5.150 0 40 EKAB C(=C/c1ccccc1)\CNc1ccc(-c2nc3ncccc3o2)cc1 5451937 LTZZTWZFKQVEQG-XBXARRHUSA-N 327.387 5.015 0 40 EKAB O=C(c1ccc(Cl)cc1)N1N=C2CCCC[C@H]2C12CCCCC2 5944660 QMAZWGFWWGYZKR-MRXNPFEDSA-N 330.859 5.045 0 40 EKAB Cc1cccc(CSCC(=O)Nc2cc(Cl)ccc2Cl)c1 7208873 CWDYIWNICALGSM-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 7348474 XYZZDXDUPMSONH-KRWDZBQOSA-N 347.414 5.193 0 40 EKAB Fc1ccccc1-c1ccc(CNC23CC4CC(CC(C4)C2)C3)o1 7524285 RPRVNBFSPMVKAG-UHFFFAOYSA-N 325.427 5.144 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1C 8041020 RSLPUIHLKQVZGC-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB c1ccc([C@@H]2C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 13122674 KOZJZPGTYYNRAE-FPOVZHCZSA-N 325.415 5.183 0 40 EKAB c1ccc([C@H]2C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 13122677 KOZJZPGTYYNRAE-TZIWHRDSSA-N 325.415 5.183 0 40 EKAB C[C@H](CNCc1ccccc1Cl)Oc1ccc(Cl)cc1Cl 19737601 NIYICYTYFFZBBW-LLVKDONJSA-N 344.669 5.204 0 40 EKAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OC 35018445 DSGOUXQPCGSKHW-UHFFFAOYSA-N 346.641 5.276 0 40 EKAB CCCCN1C(=O)CC[C@@H](Sc2ccccc2)[C@H]1c1ccccc1 65090590 WHLHRHFMMSWCOI-TZIWHRDSSA-N 339.504 5.311 0 40 EKAB Cc1cc(Br)c2oc(-c3cccc4ccccc34)nc2c1 73639154 AILONUAEDJIHTJ-UHFFFAOYSA-N 338.204 5.719 0 40 EKAB CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)O 90469710 HXJICNOLPKEOLU-UHFFFAOYSA-N 342.520 5.874 0 40 EKAB in-vitro Cc1ccsc1/C=C(/CCC(=O)O)c1nc2ccccc2s1 96767636 VKTJDQSAZMTMET-BENRWUELSA-N 329.446 5.072 0 40 EKAB Cc1cccc(CSCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223489655 AHXZSCJKAJZSHM-GOSISDBHSA-N 341.520 5.031 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)c1ccccc1CCc1ccccc1 224279158 BVVRSTWDKWISOD-UHFFFAOYSA-N 337.507 5.416 0 40 EKAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2C)cc1Cl 224819358 RYXGEYKGRODNLN-GOSISDBHSA-N 345.870 5.237 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c(C)c1 225255319 FOALLOCAVIVYTA-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CCCO[C@@]1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCC[C@H](C)C1 225666108 OZMACSUJALIDKX-BTYIYWSLSA-N 347.499 5.016 0 40 EKAB CC(=O)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 408835769 YIDDGOPHONEYJS-UHFFFAOYSA-N 328.824 5.089 0 40 EKAB O=C(Cc1ccccc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361377 ZLEWAYMAOSSRFQ-UHFFFAOYSA-N 332.243 5.150 0 40 EKAB FC(F)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 575628846 DDHIHDCIGJZPNE-UHFFFAOYSA-N 340.369 5.782 0 40 EKAB CC1=[N+](Cc2ccc(C(=O)O)cc2)c2ccc3ccccc3c2C1(C)C 1083802113 BTTGSGMOMRTRCJ-UHFFFAOYSA-O 344.434 5.134 0 40 EKAB COc1ccc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1 385403 XCIUMBONESTDIN-HNNXBMFYSA-N 349.405 5.244 0 40 EKAB Clc1ccc(-c2cn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 535613 YWSCDATTYUVPEA-UHFFFAOYSA-N 346.861 6.065 0 40 EKAB Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 1006348 IYHWZZPKDYMVOE-UHFFFAOYSA-N 329.443 5.464 0 40 EKAB c1coc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)c1 1463273 OXGGEQXKVAINQP-IERDGZPVSA-N 331.440 5.810 0 40 EKAB CCCC[C@@H](C)C(=O)C[C@H](SCC)c1ccc(Cl)c(Cl)c1 1570343 NPRSMUDQTFUNGZ-PXAZEXFGSA-N 347.351 6.573 0 40 EKAB CC(C)(C)c1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1 1751577 XDNBDYMMKYPAON-UHFFFAOYSA-N 326.443 5.966 0 40 EKAB CCCCCCC1(/C=C/c2ccc(Cl)c(Cl)c2)OCCCO1 1869799 YEKUMNNIQAQQKA-PKNBQFBNSA-N 343.294 6.110 0 40 EKAB CCCCCCOc1ccc(CNc2cccc3ccccc23)cc1 2294770 FWFGBUGRGBMZAU-UHFFFAOYSA-N 333.475 6.411 0 40 EKAB c1ccc(SCCCCN2CCCC[C@@H]2c2cccnc2)cc1 6719043 QIVJJWQDSYMKHS-HXUWFJFHSA-N 326.509 5.181 0 40 EKAB biogenic Cc1c(Cl)cccc1-c1ccc(CNC2CCCCCCC2)o1 7539322 WPTYZENIJCPKAU-UHFFFAOYSA-N 331.887 6.111 0 40 EKAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2c(ccc3ccccc32)o1 13648150 QJSNLFOWFZJQPF-CQSZACIVSA-N 327.383 5.177 0 40 EKAB Cc1cc2oc(C(=O)Nc3cccc4cccnc34)c(C)c2cc1C 15835456 VDYIXZFXJYRETP-UHFFFAOYSA-N 330.387 5.159 0 40 EKAB Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1Cl 20238135 UVKNIQQEMXPIFT-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB Cc1cc(Cl)ccc1NC(=S)Nc1cccc(Cl)c1Cl 71760654 RHRVFZHHYUSBMH-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB CSc1cccc(NC(=S)Nc2cc(Cl)ccc2Cl)c1 71761354 UONCVSFWSFXEKR-UHFFFAOYSA-N 343.304 5.524 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1c(Cl)cccc1Cl 85652012 UDYXHSZZIPCRSV-UHFFFAOYSA-N 331.601 5.601 0 40 EKAB CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118924782 STKWRJUKSJWSDX-AUGHHAEUSA-N 346.555 5.987 0 40 EKAB COc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)c(OC)c1 216869325 CGJOYJHUZRJYRB-UHFFFAOYSA-N 331.371 5.179 0 40 EKAB Cc1ccc(C)c(C(=O)NCCSCc2cccc3ccccc23)c1 225054432 LBAURBIRFXGJTL-UHFFFAOYSA-N 349.499 5.120 0 40 EKAB CC(C)(C)c1ccc(C(=O)C[C@@H](SC2CCCCC2)C(=O)O)cc1 45058 DXGHXWCHZWUEJA-GOSISDBHSA-N 348.508 5.076 0 40 EKAB CC(C)(C)c1cc(OC(=O)c2ccc(Cl)c(Cl)c2)ccc1O 364456 KSSMPTWRXGUHBK-UHFFFAOYSA-N 339.218 5.216 0 40 EKAB Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccccc3)C2)c1 510449 AMFVPDLFNQOHOE-UHFFFAOYSA-N 326.399 5.346 0 40 EKAB CC(C)Sc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 521993 KAIDFDAUOHTUGI-UHFFFAOYSA-N 343.521 5.352 0 40 EKAB c1ccc2cc(OCCSc3nc4ccccc4s3)ccc2c1 2181739 KRXLYOMPYBWHOD-UHFFFAOYSA-N 337.469 5.621 0 40 EKAB Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1 2566939 SUOAMBOBSWRMNQ-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic O=C(Nc1ccc(F)cc1F)c1ccc(Oc2ccccc2)cc1 2620622 NMNOPOVEPKDOMB-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1 3949004 ILOIOIGZFHGSMS-UHFFFAOYSA-N 334.419 5.113 0 40 EKAB in-vivo Cc1ccc(Cl)c2sc(NC(=O)c3ccc(Cl)cc3)nc12 4330779 LTSWXDPKICIUEJ-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CC(C)C(=O)[C@@H]1[C@@H](C(=O)C(C)C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4429009 ICPJFLYCNOEUNZ-CMOCDZPBSA-N 348.486 5.250 0 40 EKAB CCCCCCC(C(=O)OCC)(C(=O)OCC)C1CCCCCC1 4691805 UDFCADLIIOUFNK-UHFFFAOYSA-N 340.504 5.040 0 40 EKAB Cc1ccc(C(=N)c2ccccc2Cc2cccc3ccccc23)c(C)c1 4974855 NPTFHXHFDDIVIU-UHFFFAOYSA-N 349.477 6.464 0 40 EKAB Clc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1 5453869 BTOQWDRFJMDMEZ-VAWYXSNFSA-N 334.806 5.501 0 40 EKAB aggregator Cc1ccc(N[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 5701081 WFLWBVUODCEFJK-QFIPXVFZSA-N 344.458 5.404 0 40 EKAB CC(C)c1ccccc1NC(=O)c1csc(-c2cccs2)n1 12871592 GJQKWZBZBBFOPO-UHFFFAOYSA-N 328.462 5.247 0 40 EKAB O=C(NCCCc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 13671302 LLYUANGPXRVPPG-UHFFFAOYSA-N 349.861 5.370 0 40 EKAB Cc1cccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1C 13841069 OIRLAWYOCPXNCE-UHFFFAOYSA-N 340.536 6.359 0 40 EKAB Cc1cccc(C)c1NC(=O)COc1ccc(C2CCCCC2)cc1 14258146 NOBNBJYSZPAXQL-UHFFFAOYSA-N 337.463 5.369 0 40 EKAB O=C1[C@@]2(CCC[C@]13C[C@@H]3c1ccc(F)cc1)C[C@@H]2c1ccc(F)cc1 51330237 JCDLEAKSDWPKHB-CZAYHTPWSA-N 338.397 5.365 0 40 EKAB Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3Cl)c2cc1C 72427548 DNQQEJVDCJWXGM-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1C 80344230 BUIROUVGOUOHLP-IRXDYDNUSA-N 334.246 5.352 0 40 EKAB Oc1ccc([C@@H]2CCc3ccccc32)cc1[C@@H]1CCc2ccccc21 95869897 DCUACKYSEIGHJH-FCHUYYIVSA-N 326.439 5.548 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1C)c1ccc(C)cc1 113970423 YXHGZBDEUHYKRF-VQTJNVASSA-N 339.479 5.037 0 40 EKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccccc2)CCCC1 224964887 WWIQQWRYFDVJRH-UHFFFAOYSA-N 349.474 5.459 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225702193 NOGNIXVFIHCDFY-JXFKEZNVSA-N 335.488 5.178 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccc(C)cn23)cc1 427564 DAXPVBSBIYJPLL-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB COc1ccc(Cc2ccc(OC)c3ccccc23)c2ccccc12 1672205 ROHJMGHDYHGGIN-UHFFFAOYSA-N 328.411 5.601 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1937260 PPIGXUGFUHKECY-QPJJXVBHSA-N 340.637 5.607 0 40 EKAB Cc1nn2c(NC3CCCC3)cc(C(C)(C)C)nc2c1-c1ccccc1 2398932 LGDYZWBQZIPNEQ-UHFFFAOYSA-N 348.494 5.357 0 40 EKAB COc1cc2c(cc1NC(=O)c1cc(C)oc1C)oc1ccccc12 3236276 DBFZMRCGPLJCCK-UHFFFAOYSA-N 335.359 5.057 0 40 EKAB O=C(O)c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 3419156 UALPLQXZXWXMAM-UHFFFAOYSA-N 340.382 5.109 0 40 EKAB Fc1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1 4725700 JWKKQPYDMQNSOC-UDFXALJUSA-N 342.417 5.847 0 40 EKAB Brc1ccc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1 4854951 KFTZPJKBIGFXPT-UHFFFAOYSA-N 342.280 5.465 0 40 EKAB CC(C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 5471459 IJUZBCSPCUJWNB-UHFFFAOYSA-N 325.452 5.125 0 40 EKAB Clc1ccccc1[C@H]1CC(c2ccco2)=Nc2ccccc2S1 6756858 JARBOGZDNLAGRE-LJQANCHMSA-N 339.847 6.291 0 40 EKAB O=C(Nc1ccccc1F)N(CCc1ccccc1)Cc1ccccc1 6927342 CDZPHMSKNWZLKN-UHFFFAOYSA-N 348.421 5.103 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(Cl)c1 8480320 SJVDKBWLXJUZAD-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1ccccc1 10463717 BQPMRIGAOGDVFG-INIZCTEOSA-N 335.234 5.362 0 40 EKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 22528676 FADOVNYIFQIMOF-GFCCVEGCSA-N 335.806 5.009 0 40 EKAB O=C(c1cccs1)N(Cc1cccc2ccccc12)c1ccccn1 27662925 JTEQBTGNTPHUHE-UHFFFAOYSA-N 344.439 5.143 0 40 EKAB C[C@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1 35288752 YDKPHNVMKDQZSQ-YCRPNKLZSA-N 344.414 5.036 0 40 EKAB O=C(O)CCCCCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 43214190 ALGCXMNPYQUGDN-UHFFFAOYSA-N 337.630 5.255 0 40 EKAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CC[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100366347 QMOPYIPYDKCJRB-JBTHVSLGSA-N 330.512 5.049 0 40 EKAB Brc1ccc2c(c1)sc1c(Br)cccc12 141252801 SHBXLRNTWXLHNN-UHFFFAOYSA-N 342.055 5.580 0 40 EKAB CC[C@H](NC(=O)c1ccccc1SC(C)C)c1ccc(C)cc1C 219658148 XYEXXEATWDASKV-IBGZPJMESA-N 341.520 5.685 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C=C\[C@H](O)C/C=C\CCC(=O)O 256110940 OZXAIGIRPOOJTI-UIOJSINVSA-N 344.495 5.520 0 40 EKAB Cc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1 427525 NVAFREWUCXBRRQ-UHFFFAOYSA-N 327.431 5.670 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3ccccn23)cc1 427581 GQHQKVQNUNQORF-UHFFFAOYSA-N 333.822 5.707 0 40 EKAB CCN(CC)c1ccc(Nc2nc(-c3cccs3)cs2)cc1 971034 CXSQTGGPDGNRKF-UHFFFAOYSA-N 329.494 5.461 0 40 EKAB Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nc2ccccc21 1403043 BACDHHHWKVKSDO-UHFFFAOYSA-N 333.822 5.108 0 40 EKAB Cc1cc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1-2 1430291 XQVMFQCHRSAEAE-QGZVFWFLSA-N 330.218 5.138 0 40 EKAB COc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1640127 GRVQWMHIFBZPGT-UHFFFAOYSA-N 344.720 5.011 0 40 EKAB COc1ccccc1[C@@H]1COC(c2ccccc2)(c2ccccc2)S1 1872097 CUEBFSAVPLHDRS-NRFANRHFSA-N 348.467 5.401 0 40 EKAB Cc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCCCCC3)o2)cc1 3087160 LIRZCVWICQXUIB-HXUWFJFHSA-N 347.462 5.010 0 40 EKAB S=C(NCCC1=CCCCC1)Nc1ccc(Cl)cc1Cl 3209047 ITUHBGDJXLPZDL-UHFFFAOYSA-N 329.296 5.170 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)Nc1nc2ccccc2s1 3265515 LWVFJXCJVMDMPG-UHFFFAOYSA-N 348.880 5.071 0 40 EKAB COc1ccc(C(=O)[C@H](C)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 3387294 OVNJDGKPHVZVNT-KRWDZBQOSA-N 346.426 5.321 0 40 EKAB CCCCCCC(=O)CCCCCCCCCCCCC(=O)OC 4582748 ZNMCAAXUXSFINQ-UHFFFAOYSA-N 340.548 6.380 0 40 EKAB CCc1cc2c(cc1[C@@]1(C)OCC[C@H](C)O1)C(C)(C)CCC2(C)C 4589065 CTSMPXQDFPRJET-NYHFZMIOSA-N 330.512 5.596 0 40 EKAB FC(F)(F)c1cccc(CNc2ccnc3cc(Cl)ccc23)c1 5937258 ONRVOEONBDVJBK-UHFFFAOYSA-N 336.744 5.519 0 40 EKAB COc1cccc(/C=C/c2nc3ccccc3s2)c1OC(F)F 6410438 MSNFFLRJHYYLRC-MDZDMXLPSA-N 333.359 5.077 0 40 EKAB Clc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 6567107 RRYPHUHOEKOYKD-LJQANCHMSA-N 331.806 5.329 0 40 EKAB Clc1cnc(Oc2ccc(OCc3ccccc3)cc2)c(Cl)c1 6585180 GQDOJBZPIULRHA-UHFFFAOYSA-N 346.213 5.760 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8478212 KJILCHJWJQHKTR-SFHVURJKSA-N 345.870 5.261 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1[C@H](C)CC 8723312 PTTYBDOCBZBONC-MRXNPFEDSA-N 347.458 6.004 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc2scnc2c1 10217619 WARVXPRBMZYAOI-UHFFFAOYSA-N 348.880 5.071 0 40 EKAB COc1ccc2c(C)cc(SCc3ccc(Cl)cc3)nc2c1 12970475 ILNSAYALZPIKOQ-UHFFFAOYSA-N 329.852 5.498 0 40 EKAB Cc1ccc(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C3CC3)oc2C)cc1 13566373 SICMXWLNXBZRHW-IHWFROFDSA-N 349.474 5.325 0 40 EKAB CSc1ccccc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13646276 JCDUPGBHXWQCBL-AWEZNQCLSA-N 327.493 5.197 0 40 EKAB Cc1cccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)c1 17749906 BVJRSHBBCNIGOJ-ZZEZOPTASA-N 338.501 5.678 0 40 EKAB C[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(F)cc1 20110572 QGYCLDGUHTYBCZ-FIOICXDGSA-N 345.417 5.244 0 40 EKAB Cc1cccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)cnn23)c1 27584926 XZSMEQLBNNALRS-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB C[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 32611340 LIDUQBVCMGNYNH-MRXNPFEDSA-N 349.430 5.026 0 40 EKAB Cc1ccc2nc(-c3cccc(O)c3)c(Nc3cccc(C)c3C)n2c1 35616313 HCWUOAVMHPSKQY-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB CC(C)(C)c1ccc(Oc2cc(Br)cc3nonc23)cc1 36559057 VOHWSSSXOMHSDW-UHFFFAOYSA-N 347.212 5.075 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)c1 44948365 KKCZSDRFAOFYOI-VIIAAUOXSA-N 348.273 5.501 0 40 EKAB C1=C\[C@H]([C@H]2/C=C/CCCCCCCCC2)CCCCCCCCC/1 71785893 ZVQLJQKZIPBSRE-YWFSADOLSA-N 330.600 8.380 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)o2)cc1C 107727741 AXFKCEOZQVXYTK-UHFFFAOYSA-N 325.795 5.469 0 40 EKAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(C)cc1C 218915593 ZFDCGQIYTCCOOA-OAQYLSRUSA-N 347.458 5.103 0 40 EKAB CC(C)Oc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218984570 PNCPFEYWSXQWNV-UHFFFAOYSA-N 339.435 5.048 0 40 EKAB C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccccc1 222681279 JNPQEUFGLNEION-CQSZACIVSA-N 333.884 5.090 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(SC)c1 223014244 OEOQSAXPGWQACL-QGZVFWFLSA-N 349.883 5.166 0 40 EKAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225801107 VRKOACQFOJFAHG-NRFANRHFSA-N 343.467 5.161 0 40 EKAB Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccccc3s2)o1 409192684 FCGPYUSZEZJKIL-UHFFFAOYSA-N 335.384 5.230 0 40 EKAB Cc1cc(C)c2c(n1)sc1c(Oc3ccc(Cl)cc3)ncnc12 158785 ZUONFZYUAKZAMF-UHFFFAOYSA-N 341.823 5.302 0 40 EKAB Cc1cccc(C)c1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 362621 QKPPMLODSOZDNG-UHFFFAOYSA-N 339.479 5.568 0 40 EKAB Clc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1 1402090 SHPQOBMEMXWENS-UHFFFAOYSA-N 332.790 5.743 0 40 EKAB aggregator Cc1oc2cc3oc(=O)c(C(C)C)c(C)c3cc2c1-c1ccccc1 2148398 ARSYMHQKQBYPCB-UHFFFAOYSA-N 332.399 5.946 0 40 EKAB biogenic CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714784 WFVQXXQTQPZWAD-UHFFFAOYSA-N 346.409 5.049 0 40 EKAB O=C(Nc1cccc(Cl)c1)/C(=C/c1ccccc1)c1ccccc1 2749385 LFHJEQNWKXCINV-XSFVSMFZSA-N 333.818 5.519 0 40 EKAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1Sc1ccc(F)cc1 4616239 KABKERHXRHCTBE-IBGZPJMESA-N 329.440 5.119 0 40 EKAB CCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 4958391 FGNCRYLTHQHVFG-UHFFFAOYSA-N 348.511 5.748 0 40 EKAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1O 6668528 FUJBEQICRMPWRH-UHFFFAOYSA-N 329.355 5.058 0 40 EKAB CCOc1ccc(Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1 6831525 MFLGZUDEJBXUNW-UHFFFAOYSA-N 335.432 5.434 0 40 EKAB Cc1csc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccs2)n1 9303802 YBOLLYKBLVOEEN-OAHLLOKOSA-N 343.452 5.008 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccc(F)cc1 19789793 ZFRJMYJZSKWEDL-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB Cc1cccc(NC(=O)c2cccnc2Nc2ccccc2Cl)c1 22072449 YZESQBKYUIRIPK-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)c2cccnc12 31092064 MBKFPJUVXGGESS-UHFFFAOYSA-N 331.202 5.102 0 40 EKAB FC(F)(F)c1ccc2c(Br)cc(C(F)(F)F)nc2c1 34091674 ICOTWQFECIUUHC-UHFFFAOYSA-N 344.052 5.035 0 40 EKAB Cc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 44085398 CKOWHQDJHBTSFT-UHFFFAOYSA-N 338.476 5.535 0 40 EKAB Cc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1C 80343662 IIAUNYXCDRNKIX-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc2c(c1)CCCC2 225632701 IONXZAJESKUMAF-QGZVFWFLSA-N 335.491 5.052 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225702312 VTEDUNCVFXHIKP-OAQYLSRUSA-N 347.499 5.322 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 225729813 IIOJXLUAWWWRCJ-OAHLLOKOSA-N 345.870 5.486 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c2ccccc12 225825977 GETPTLIZCJTRRX-NRFANRHFSA-N 343.467 5.162 0 40 EKAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225839940 DFCUWPIKHMDXLU-NRFANRHFSA-N 343.467 5.161 0 40 EKAB CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3S[C@@H]2c2ccccc2)C1 409337153 YEEUOUBZGDGPFR-VQTJNVASSA-N 335.472 5.611 0 40 EKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccco2)nc2ccccc12 5619901 RYXYFJCDRKVGQH-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCc1c[nH]c2ccccc12 7668887 XQYKPFGAYLUTAT-UHFFFAOYSA-N 348.490 5.986 0 40 EKAB Clc1ccc2sc(Sc3ncnc4sccc34)nc2c1 8312893 HHABQNWEVKHHCM-UHFFFAOYSA-N 335.866 5.106 0 40 EKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 9064424 YSXYZVXEGFLUGY-KRWDZBQOSA-N 344.458 5.471 0 40 EKAB CCc1ccc(NC(=O)N[C@@H](CC)c2ccc([C@@H](C)CC)cc2)cc1 13321304 MELAFEGQZNNACL-KKSFZXQISA-N 338.495 6.035 0 40 EKAB FC(F)c1cc(-c2ccc(Cl)cc2)nc(NCc2ccccc2)n1 36612841 XSMMUZNBZOOEAS-UHFFFAOYSA-N 345.780 5.347 0 40 EKAB Clc1cccc(Nc2nnc(Nc3ccccc3)s2)c1Cl 78502869 IWXHJAOODQGWTO-UHFFFAOYSA-N 337.235 5.332 0 40 EKAB C[C@@H](NC(=O)CCc1ccc(Cl)s1)c1cccc2ccccc12 84656363 FXHKYXIWRKCXMJ-CYBMUJFWSA-N 343.879 5.365 0 40 EKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)Cc1ccccc1-2 95117209 OQGLNVOIERUAFA-UHFFFAOYSA-N 334.806 5.555 0 40 EKAB O=C(CCc1ccccc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360333 GLBSCZWIUDLCOR-UHFFFAOYSA-N 346.270 5.540 0 40 EKAB O=C(CCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360711 HGWXATSIEYUHFJ-UHFFFAOYSA-N 346.270 5.540 0 40 EKAB S=C(Nc1ccccc1Cl)Oc1ccc(-c2ccccc2)cc1 33081 XDXUGVOLJICQLT-UHFFFAOYSA-N 339.847 5.783 0 40 EKAB Cc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 251098 HWXARDCRNRDMOR-UHFFFAOYSA-N 336.243 5.769 0 40 EKAB Cc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 319965 AZSHRXLFLBEXJW-UHFFFAOYSA-N 339.870 5.708 0 40 EKAB Clc1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 367997 ONRSWAQGNOADCW-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB CCC[C@@H]1CCC[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1 2220060 OUDRMHUSSDYGOS-QZTJIDSGSA-N 336.475 6.516 0 40 EKAB CCCCCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 2429325 WRSAVKSBQBMROQ-UHFFFAOYSA-N 348.425 5.366 0 40 EKAB CC(C)c1ccc(-c2nc(S)c3c(n2)Oc2ccccc2C3)cc1 4315944 YRQLFAYFAVJVHF-UHFFFAOYSA-N 334.444 5.252 0 40 EKAB O=C(c1ccccc1Oc1ccccc1)N1CCCc2ccccc21 5737730 LPCLLPWPCMVOAC-UHFFFAOYSA-N 329.399 5.072 0 40 EKAB O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc2ccccc2c1 6025717 KDXJWQWEFUZVMZ-UHFFFAOYSA-N 344.439 5.205 0 40 EKAB Cc1cccc(OCCCCn2c(-c3ccco3)nc3ccccc32)c1 7343615 PGZDZKDTMDUGNR-UHFFFAOYSA-N 346.430 5.464 0 40 EKAB Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 12766470 YSDHBCFPAMJVJP-UHFFFAOYSA-N 334.444 5.134 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 20108373 DBPNSSLJBOJWHX-KGLIPLIRSA-N 333.884 5.006 0 40 EKAB C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(F)cc1 20459683 QHNRTXXHSCSRIT-CYBMUJFWSA-N 333.362 5.216 0 40 EKAB COc1ccc(NC(=S)Nc2c(C)cccc2Cl)cc1Cl 71761839 TWVBXMQLNMLMSM-UHFFFAOYSA-N 341.263 5.119 0 40 EKAB CC1(C)[C@H]2CC[C@H]1[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 104861943 BNRWIFFGXQRKHM-NURSFMCSSA-N 328.239 5.367 0 40 EKAB O=C(CCc1ccccc1Cl)NC(c1ccccc1)c1ccccc1 220013743 QEZCBJYEOJXNHG-UHFFFAOYSA-N 349.861 5.178 0 40 EKAB Cc1ccc(CCC(=O)NCCCc2cccc3ccccc23)cc1C 223770052 KFNOKQFSUCXARB-UHFFFAOYSA-N 345.486 5.138 0 40 EKAB Cc1ccc(C)c(C(=O)Nc2ccccc2Sc2ccccc2)c1 224323442 SKMGRFXFSOZYTJ-UHFFFAOYSA-N 333.456 5.707 0 40 EKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2F)cc1 224404741 GNWXCEDKSILNBC-GOSISDBHSA-N 349.833 5.005 0 40 EKAB CC(C)(C)c1ccc(O[C@H](Cc2cccc3ccccc23)C(=O)O)cc1 225048347 AYAMDKMXIOTTPT-OAQYLSRUSA-N 348.442 5.212 0 40 EKAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C 225665072 BELPRCQQIPJPAA-HRAATJIYSA-N 347.499 5.098 0 40 EKAB Cc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1 225762987 ODCCKNGATVBYGD-IBGZPJMESA-N 326.509 5.296 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2ccccc2)c2ccccc2)c(C)c1 225766765 DZLZRCYZYKEVCU-OAQYLSRUSA-N 346.499 5.379 0 40 EKAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225797947 CDALWMPNUIGTCA-NRFANRHFSA-N 343.467 5.018 0 40 EKAB CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C\C/C=C/CCCC(=O)OC 299888289 DHUPCTVGLDZJCY-ASVCFMIASA-N 334.500 5.516 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(F)cc3)n2)c(C)c1 193663 SDCPPTZLZACZJE-UHFFFAOYSA-N 340.423 5.127 0 40 EKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2-n2cccc2)cc1 363649 UHAWWXARRSWXEY-GOSISDBHSA-N 346.474 5.418 0 40 EKAB COc1ccc2c(-c3oc4ccc(Cl)cc4c3C)cc(=O)oc2c1 491190 CQTKIDBESGKANR-UHFFFAOYSA-N 340.762 5.177 0 40 EKAB biogenic Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(C)c1 557884 PQGGYAFEJGINCK-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB C[C@H]1CC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 1295727 MIAAJFLJFWAPKY-JTSKRJEESA-N 330.475 5.019 0 40 EKAB biogenic CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccccc3Cl)sc2C1 3207609 MUBZRROXONYZIY-NSHDSACASA-N 348.899 5.200 0 40 EKAB Nc1c2c(nc3sc4c(c13)CCCC4)CCCCCCCCCC2 3211159 HZCZTRJAFAFBQG-UHFFFAOYSA-N 342.552 5.977 0 40 EKAB CC(C)[C@H](C(=O)N[C@H](c1ccccc1)C1CCCC1)c1ccccc1 4994544 USTOLXCFVDJPMI-FCHUYYIVSA-N 335.491 5.474 0 40 EKAB CC1=Nc2ccccc2N=C2C[C@@H](c3cccc(Cl)c3)CC(O)=C12 5352387 FZSHHZSVNWHROB-CQSZACIVSA-N 336.822 5.908 0 40 EKAB O=C(OCc1ccccc1Cl)c1ccccc1Nc1ccccc1 7095768 ULDDTAUAZHEYSR-UHFFFAOYSA-N 337.806 5.441 0 40 EKAB O=C(CCc1ccsc1)Nc1nc(-c2ccc(Cl)cc2)cs1 7214169 NLHADLXHJUPZOP-UHFFFAOYSA-N 348.880 5.096 0 40 EKAB CCOc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1 7847340 NNEDCQGTRYGMBB-UHFFFAOYSA-N 325.411 5.968 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2)o1 8275285 CJTYKQNNOUVGBK-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 16322390 YQIMHKJDXMUKEU-SECBINFHSA-N 344.238 5.252 0 40 EKAB Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1 34621059 SILADEPIWJTLTA-UHFFFAOYSA-N 349.434 5.089 0 40 EKAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(C2CCCC2)C1 54114203 CRAHWOUKUCXTET-UHFFFAOYSA-N 349.430 5.192 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351806 RDDPPIUVUSYFEW-MOPGFXCFSA-N 345.870 5.073 0 40 EKAB CC(C)Sc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72217570 VKCTVDZSWHJTGZ-OAHLLOKOSA-N 336.501 5.044 0 40 EKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C 223390026 IXKZKYDKLVBAFP-GFCCVEGCSA-N 327.921 5.152 0 40 EKAB C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C[C@]12CS2 252694872 RAGKRCXTWZPJJM-USZBJCLWSA-N 332.553 5.330 0 40 EKAB biogenic CC(C)(C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 408707113 GYUQJQJXKCJORJ-UHFFFAOYSA-N 327.811 5.636 0 40 EKAB Cc1ccc(-c2[nH]c(=Nc3ccccc3Cl)sc2C)c(C)c1 409044383 CLPNCCZKSYDSCZ-UHFFFAOYSA-N 328.868 5.554 0 40 EKAB CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3S[C@@H]2c2ccccc2)C1 409337154 YEEUOUBZGDGPFR-WOJBJXKFSA-N 335.472 5.611 0 40 EKAB CC(C)(C)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 43957 QHYHOYADBUGWSO-UHFFFAOYSA-N 336.863 5.586 0 40 EKAB Cc1cc(=O)oc2c(C)c3occ(-c4ccc5ccccc5c4)c3cc12 489027 JTBGFJPCHRNWRB-UHFFFAOYSA-N 340.378 5.976 0 40 EKAB biogenic C[C@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 2097813 VAABMKSTVWFIJI-UUOWRZLLSA-N 344.502 5.193 0 40 EKAB biogenic CSc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 2634642 LGETZDFZKSIFIP-UHFFFAOYSA-N 346.666 5.621 0 40 EKAB CCCCNC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1 2805345 VVALZRXUBDEWIA-UHFFFAOYSA-N 345.870 5.066 0 40 EKAB CCc1sc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1C 7438126 UXJPRKHBWJJBKH-UHFFFAOYSA-N 342.489 5.303 0 40 EKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc2ccccc12 8429503 URUBVISFGAIJFM-UHFFFAOYSA-N 345.398 5.134 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C 8499459 ZRTMUDUMKNREKM-INIZCTEOSA-N 338.234 5.098 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1Cl 9141819 RHZKUDCDLQSILU-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]21C 12657548 QKSODSWUZYYQJJ-JXLUNMFTSA-N 332.572 6.961 0 40 EKAB Cc1ccc(OC(=O)c2oc3ccccc3c2C)c(Br)c1 13135289 UISAPDJESDXDOS-UHFFFAOYSA-N 345.192 5.031 0 40 EKAB CCCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C 14257876 ZJZWKJFERNXACL-UHFFFAOYSA-N 338.476 5.791 0 40 EKAB Cc1ccccc1N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 19927270 XVGWHCDNPLRHGF-INIZCTEOSA-N 338.259 5.080 0 40 EKAB CCc1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 20492530 IMQUIGSMEKNGHR-KRWDZBQOSA-N 333.884 5.412 0 40 EKAB COc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 24812941 ZGVAYCYHIUZUOP-UHFFFAOYSA-N 349.455 5.240 0 40 EKAB CCCOc1ccc(Br)cc1CNc1cccc(C)c1 37185302 SNEFKKDFRXILNQ-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCC1=CCCCC1 38755573 VDBHGLTVIUOBNF-HXUWFJFHSA-N 337.463 5.004 0 40 EKAB CN(C(=O)c1cc2cc(Cl)ccc2o1)c1cccc2ccccc12 69322845 KDALQJAIZVFVBE-UHFFFAOYSA-N 335.790 5.516 0 40 EKAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCCN1Cc1ccccc1 72219306 FKKROVIEYZFUHI-QFIPXVFZSA-N 349.522 5.108 0 40 EKAB CC(C)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 96170904 XFXHVAYQSNTDNT-UHFFFAOYSA-N 338.329 5.353 0 40 EKAB CCCC[C@H](CC)CNC(=O)c1ccccc1CCc1ccccc1 224279444 VNBOZVWZHNIQMF-IBGZPJMESA-N 337.507 5.418 0 40 EKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225690715 HCIKYOFXGJRISX-UTKZUKDTSA-N 349.515 5.261 0 40 EKAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(Cl)s1 390826186 DZRMMHMWCRGMNM-ZDUSSCGKSA-N 339.894 5.044 0 40 EKAB CCOc1ccccc1N=c1[nH]c(-c2cc(C)ccc2C)c(C)s1 409045383 GNBYYXVQYWOVOJ-UHFFFAOYSA-N 338.476 5.300 0 40 EKAB Fc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1 409200145 QPKXTYDGKFWNEM-UHFFFAOYSA-N 325.358 5.156 0 40 EKAB CCOC(=O)/C=C(\C)Nc1cc2cc(-c3ccccc3)[nH]c2cc1C 1423921 XTGIIJFWNXWKTM-RVDMUPIBSA-N 334.419 5.022 0 40 EKAB CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc(OC)cc1 2278620 TXSPYVYUAUICSO-SFHVURJKSA-N 349.367 5.072 0 40 EKAB CCCOc1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 3346619 HTLNSQYODSLTQO-UHFFFAOYSA-N 345.442 5.324 0 40 EKAB Cc1ccc2nc3c(c(Nc4cccc(C(F)(F)F)c4)c2c1)CCC3 3953530 DPJZXTCYZGJNAI-UHFFFAOYSA-N 342.364 5.794 0 40 EKAB Cc1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)cc1 4733449 LBXKJYCFTMKWPX-UHFFFAOYSA-N 334.810 5.102 0 40 EKAB Cc1cccc(OCc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c1 6207238 OZELTOWOWSMVHQ-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB CCCCCCNCc1cccc(OCc2ccccc2Cl)c1 7261070 WFGBHBKVLYTPLX-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB Cc1ccc(C(=O)CN(C2=NCCCC2)c2cccc(C)c2C)c(C)c1 8410411 GJRXNZBUNPSNBV-UHFFFAOYSA-N 348.490 5.192 0 40 EKAB S=c1[nH]nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 8628060 LBLGDKGQEWIDHT-UHFFFAOYSA-N 340.451 6.140 0 40 EKAB COc1ccc2c(c1)OCc1c-2oc2cc3c(cc12)C=CC(C)(C)O3 13360793 SZUPCOMPPYQJSI-UHFFFAOYSA-N 334.371 5.185 0 40 EKAB biogenic,in-vitro Cc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 13812630 SYDYUJAJHHQBIB-UHFFFAOYSA-N 348.471 5.383 0 40 EKAB O=C(Nc1cccc2ccccc12)NC1CCC(C(F)(F)F)CC1 22759326 PVQRGVHUVGBAMS-UHFFFAOYSA-N 336.357 5.082 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1C 27740388 JGDHTIOVJVMYPL-UHFFFAOYSA-N 339.435 5.351 0 40 EKAB CCCCC(=O)N(CC)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993196 TVLXJNCMUGKSMS-QHCPKHFHSA-N 348.490 5.604 0 40 EKAB FC(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCCCCC2)n1 36618645 XASUBGVDFFBYQE-UHFFFAOYSA-N 337.801 5.115 0 40 EKAB CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 44085355 OLYAQRXXCLHUDR-UHFFFAOYSA-N 335.259 5.568 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 78458203 GZWGWINTGWKGQY-IAGOWNOFSA-N 339.479 5.017 0 40 EKAB Clc1ccc2[nH]c(-c3ccc(-c4ccccc4Cl)o3)nc2c1 85345282 BKMFOYWZQDNTRQ-UHFFFAOYSA-N 329.186 5.797 0 40 EKAB CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 104748035 FXRHXRDCVQLOSA-NCTLDZBQSA-N 333.903 5.021 0 40 EKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224414514 QKWYNOIROYSTJO-HNNXBMFYSA-N 345.398 5.300 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)CC(C)(C)C 224454412 ASPQNXWVGOZZED-SFHVURJKSA-N 341.495 5.328 0 40 EKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCC[C@@H](C)C1 225661322 PQBLOMQJYJVMDX-CBGDNZLLSA-N 347.499 5.178 0 40 EKAB Cc1cccc(NCc2cccc(OCc3ccccc3F)c2)c1C 409116562 PSACRXVRSUATLU-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cccc2ccccc12 575414926 QLVRBKNBBMICNK-LJQANCHMSA-N 349.480 5.482 0 40 EKAB Cc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1 1244363 VEPHZFSZVMEENH-UHFFFAOYSA-N 345.833 6.002 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 3234314 FBTSGGZYKQGLKC-CQSZACIVSA-N 347.911 5.725 0 40 EKAB Cc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)o1 3647345 UTKJMHAAJYVZNS-ZBEGNZNMSA-N 344.480 5.229 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1 5003701 SXYGWNXGGMBNBT-UHFFFAOYSA-N 342.225 5.913 0 40 EKAB aggregator C/C(=C\c1nc2ccccc2[nH]1)NN(c1ccccc1)c1ccccc1 6015794 ICKQKHLHDJOLHK-WUKNDPDISA-N 340.430 5.267 0 40 EKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 7375633 ISAIZHDZGQJVCR-NTEUORMPSA-N 345.442 5.307 0 40 EKAB O=C(Cc1cccc2ccccc12)Nc1ccc(-c2nccs2)cc1 7684028 XUYFCIXMZDXSAZ-UHFFFAOYSA-N 344.439 5.145 0 40 EKAB CC(C)C(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 7987372 ZEFWEPRCBIITCA-UHFFFAOYSA-N 340.423 5.270 0 40 EKAB Cc1csc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2C)n1 13653625 WYTHFFBIBVJFSS-MRXNPFEDSA-N 339.489 5.177 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1F 15585044 OOBBWSDHIBBZPF-UHFFFAOYSA-N 341.769 5.524 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 20455005 RRNNJHKNXGMWKX-CQSZACIVSA-N 333.884 5.008 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1C 20460437 BEIGVYTVKSDLQR-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1 41091578 WFNQCPZSTYSLAU-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1sccc1C1CC1 60332478 MDPSYPVICVYSDX-UHFFFAOYSA-N 337.448 5.022 0 40 EKAB CCOC(=O)c1c(-c2ccc(Br)cc2)oc2ccccc12 205613731 WVGZMLFPWJTDEX-UHFFFAOYSA-N 345.192 5.039 0 40 EKAB C[C@H]1C[C@H](C)CN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 216841733 PEMOZEWHVRTQST-GJZGRUSLSA-N 338.426 5.112 0 40 EKAB CC[C@@H](NC(=O)CSCc1cccc(C)c1)c1ccc(C)c(C)c1 222746020 USTXHOANEVULBZ-HXUWFJFHSA-N 341.520 5.113 0 40 EKAB CCOc1c(C)cc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616466 NGTIWESVASKHJB-UHFFFAOYSA-N 349.515 5.118 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225624507 NPWQXENGUPYQDU-UWJYYQICSA-N 349.515 5.405 0 40 EKAB Cc1cc(C)c(C(=O)NCCCc2cccc3ccccc23)cc1C 225652358 NEKWEYGUOZKEFT-UHFFFAOYSA-N 331.459 5.128 0 40 EKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225733499 FRWYUYYABHGRTG-JXFKEZNVSA-N 335.488 5.034 0 40 EKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1Sc1ccccc1 253458159 IPSPTRALVFSDPX-NTCAYCPXSA-N 349.430 5.629 0 40 EKAB O=C(O)C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 1687757 USBNCBWTGNVEEO-UHFFFAOYSA-N 345.272 5.289 0 40 EKAB in-vitro O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1c(F)cccc1F 2187506 YDRMYJBUTWYTMV-UHFFFAOYSA-N 336.552 5.177 0 40 EKAB Clc1cc(-c2c(Cl)cccc2Cl)cc(Cl)c1Cl 2569342 WAZUWHGJMMZVHH-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB CC1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1 2710102 IWNZQEAMRPIYCJ-UHFFFAOYSA-N 337.854 5.187 0 40 EKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1 3346925 BIZOILFPHZPSFU-UHFFFAOYSA-N 334.419 5.200 0 40 EKAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OCc3ccccc3)cc12 4340747 DUUXEZZXACZTRT-UHFFFAOYSA-N 342.394 5.347 0 40 EKAB biogenic CC(=O)c1cccc2c1[C@@H]1c3ccccc3[C@H]2c2c(C(C)=O)cccc21 4530683 SQLOJZDKABMFSF-DNQXCXABSA-N 338.406 5.079 0 40 EKAB Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]34CO[C@H]2[C@@H]41 4972890 UGGAILYEBCSZIV-ZNSCVOQBSA-N 342.479 5.146 0 40 EKAB O[C@H]1c2cccn2-c2cc(Cl)ccc2S[C@@H]1c1ccccc1 5593581 BOKTVCCWYWMDJW-ZWKOTPCHSA-N 327.836 5.011 0 40 EKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)S 5732012 NRXKSPXADCTTJA-HLAWJBBLSA-N 345.552 5.460 0 40 EKAB CC(C)(C)c1csc(NC(=O)c2cc(Cl)sc2Cl)n1 6306403 RHUQZXQBIWUVEE-UHFFFAOYSA-N 335.281 5.061 0 40 EKAB CN(Cc1ccc(Cl)cc1)C(=O)C(c1ccccc1)c1ccccc1 6787975 WDMONCRXDGJSPR-UHFFFAOYSA-N 349.861 5.131 0 40 EKAB CC(C)CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 6883520 SHGIFGBUUCPQBC-UHFFFAOYSA-N 337.438 5.304 0 40 EKAB Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)ccc1Cl 51354256 MSLOPIPTWXLAKF-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB CN(Cc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1F 59337635 YENHKNXYUNZWPI-UHFFFAOYSA-N 342.801 5.296 0 40 EKAB COc1ccc2ccccc2c1CNCc1ccc2[nH]c(C)c(C)c2c1 65013694 NGUKVZADXUUMAV-UHFFFAOYSA-N 344.458 5.236 0 40 EKAB CC(=O)c1nc2cc(Cl)ccc2n1Cc1ccc(C(C)(C)C)cc1 76556483 LSWUZDIZFZNNKN-UHFFFAOYSA-N 340.854 5.238 0 40 EKAB CC(C)Cn1cc(C(F)F)c(C(=O)Nc2ccc(C(C)(C)C)cc2)n1 95447043 OPRMAAHXVQPYFB-UHFFFAOYSA-N 349.425 5.027 0 40 EKAB CCCCc1ccc(NC(=O)CCc2cccc3ccccc23)cc1 222667950 WSEAIFFUDPAWHJ-UHFFFAOYSA-N 331.459 5.754 0 40 EKAB Fc1cccc(COc2ccc(CNc3ccccc3)cc2Cl)c1 409118385 PUDZQJZXKIIMCB-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB COc1ccc(OC)c(Nc2nc(-c3ccc(F)c(C)c3)cs2)c1 90746 MROPROUMGOKICM-UHFFFAOYSA-N 344.411 5.018 0 40 EKAB CSc1nc(SCc2ccccc2)c2c3c(sc2n1)CCC3 553289 KTZYJPLVLYEEPG-UHFFFAOYSA-N 344.530 5.194 0 40 EKAB CC(C)CN(CC(C)C)C(=O)CC(c1ccccc1)c1ccccc1 998296 JUYBKAHZZSEVQR-UHFFFAOYSA-N 337.507 5.349 0 40 EKAB c1ccc(N2CCN(c3ccccc3)C2c2ccc3c(c2)CCC3)cc1 1601749 ARHLVTSPTYIJIK-UHFFFAOYSA-N 340.470 5.201 0 40 EKAB Cc1cccc(CSc2ncnc3sc4c(c23)CC[C@H](C)C4)c1 1778564 YNFQQKDZMMTABE-ZDUSSCGKSA-N 340.517 5.417 0 40 EKAB CCCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1852884 UTCMTHHEAOXWHN-UHFFFAOYSA-N 338.329 5.138 0 40 EKAB O=C(CCc1cccc(Cl)c1)c1ccc(Br)cc1F 2517247 RBQRRYMRGPJKFY-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 4599505 YDWBWZBUCBZOIW-CYBMUJFWSA-N 346.268 5.144 0 40 EKAB O=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 5778356 UQKZUTNPEYVQGN-UHFFFAOYSA-N 331.198 5.538 0 40 EKAB CCCCC[C@H](O)/C=C/[C@H]1CC2CC(C2)[C@H]1C/C=C/CCCC(=O)O 5820779 ZIWNJZLXPXFNGN-JLJOQNCXSA-N 348.527 5.347 0 40 EKAB Cc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)o1 6034252 VQWZIPRNTRIIKA-UHFFFAOYSA-N 326.399 5.731 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 6342781 NBJKHQBVTVJMOK-UHFFFAOYSA-N 328.412 5.030 0 40 EKAB CSc1ccccc1C(=O)Nc1ccc(N2CCCCCC2)cc1 7986494 SKUYKMMTTLZGED-UHFFFAOYSA-N 340.492 5.041 0 40 EKAB CC(C)(C)C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 9141063 KFFQXCUSQKUBIY-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB COc1ccc(SCCC(=O)Nc2ccc3sccc3c2)cc1 10219594 METUVRSLEIHVOA-UHFFFAOYSA-N 343.473 5.031 0 40 EKAB CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCC(=O)O 12496034 WBBQTNCISCKUMU-IUQGRGSQSA-N 334.544 7.221 0 40 EKAB in-vivo CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708478 REOHCTOHHGMQCG-MRXNPFEDSA-N 347.458 5.371 0 40 EKAB Cc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 13774730 ZATUIZMWRVJBCQ-HNNXBMFYSA-N 326.509 5.340 0 40 EKAB COc1ccc(-c2ccc(CCC(=O)Nc3c(C)cccc3C)o2)cc1 15867474 XDYNMNKJKWXUEX-UHFFFAOYSA-N 349.430 5.143 0 40 EKAB C[C@H](CN(C)Cc1c(-c2ccco2)[nH]c2ncccc12)c1ccccc1 19455983 RWYDAPCJGZLPNS-MRXNPFEDSA-N 345.446 5.058 0 40 EKAB Cc1ccc(NC(=O)c2cccnc2Nc2ccc(Cl)cc2)cc1 22053803 GJYRPNDEARYDCP-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB Cc1cc(C)c(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c(C)c1 40095766 JSAGXUZOYPQVDL-OAHLLOKOSA-N 330.859 5.490 0 40 EKAB Cc1cc(NCCC(C)C)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216738 CQAAGDJHZSDEOF-UHFFFAOYSA-N 342.874 5.125 0 40 EKAB CC/C=C\C/C=C\C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O 60027379 MBMBGCFOFBJSGT-OBOJEMQYSA-N 328.496 6.549 0 40 EKAB Fc1cc(SCc2ccccc2Br)ccc1Cl 95733412 OSIYIBUFYKMAFY-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB c1ccc(-c2ccc(-c3nc4ccc(-n5cccc5)cc4o3)cc2)cc1 216739869 VXQCGKVTMXZHFQ-UHFFFAOYSA-N 336.394 5.953 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C)cc1C(C)C 225657473 XJVUQJGTVWWICX-UHFFFAOYSA-N 331.843 5.341 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225748288 KWCOOTXNDABPKF-SFHVURJKSA-N 341.879 5.053 0 40 EKAB CCC(C(=O)Nc1ccc(OC)cc1)(c1ccccc1)c1ccccc1 225934959 PJBPLKPOJQGVKF-UHFFFAOYSA-N 345.442 5.030 0 40 EKAB O[C@@H](c1ccc(Cl)cc1Cl)c1ccc2c3c(cccc13)CC2 226295619 NHKUIVSBVFIXPH-LJQANCHMSA-N 329.226 5.327 0 40 EKAB CCc1ccccc1NCc1ccc(OCc2ccc(C)cc2)cc1 409118635 OUJRPRUMXVWBTK-UHFFFAOYSA-N 331.459 5.749 0 40 EKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 55104 RNXXIKOZHJKKPF-UWJYYQICSA-N 342.442 5.279 0 40 EKAB CC[C@@H](C)c1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 2663428 WYSVBGFWDBRXKD-GFCCVEGCSA-N 332.900 5.971 0 40 EKAB CC(C)Cc1ccc(NC(=N)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 3999894 QNVUVIPUIFKGRG-SFHVURJKSA-N 336.523 6.276 0 40 EKAB biogenic Cc1ccc([C@@H](c2c(C)[nH]c3ccccc23)N2CCC(C)CC2)cc1 4279371 FWHWPZDAJBKAOF-QHCPKHFHSA-N 332.491 5.606 0 40 EKAB O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccc2ccccc2c1 4712914 FWLRXGAXJGOFRJ-PXLXIMEGSA-N 349.389 5.338 0 40 EKAB COc1cc(C)c(C(O)(c2ccccc2)c2ccccc2)cc1C(C)C 4720801 SSYODKSOPGWBTH-UHFFFAOYSA-N 346.470 5.411 0 40 EKAB CC(C)[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 4981089 OQWGLWCRYXDABC-RXHHBCLFSA-N 339.523 5.147 0 40 EKAB Fc1ccc(C2=NN3[C@H](C2)c2ccccc2N[C@H]3c2cccs2)cc1 6678043 AMFJTNYWDUKHMC-UYAOXDASSA-N 349.434 5.163 0 40 EKAB Clc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1 11690102 SNTJQBLACVRTHF-UHFFFAOYSA-N 346.238 6.530 0 40 EKAB c1ccc(-c2ccc(Oc3nnc(-c4ccccc4)s3)cc2)cc1 12741223 SGCVTIOFRSAHPR-UHFFFAOYSA-N 330.412 5.664 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708494 NKKQGLVPVCWZJQ-INIZCTEOSA-N 333.431 5.369 0 40 EKAB Cc1cc2ncn(Cc3ncc(-c4ccc(Cl)cc4)o3)c2cc1C 21585648 LAJDIDVMZXCMMM-UHFFFAOYSA-N 337.810 5.010 0 40 EKAB Cc1cc(NC(=O)c2ccc(-c3cccc4ccccc34)s2)no1 24975778 KSFWMGZCWFGOQU-UHFFFAOYSA-N 334.400 5.117 0 40 EKAB c1ccc(Nc2nc(CN3CCC[C@@H]3c3cccs3)cs2)cc1 40161563 AOGGAADGHPVNDT-MRXNPFEDSA-N 341.505 5.285 0 40 EKAB Clc1ccc2oc(Nc3nc4cc(Cl)ccc4s3)nc2c1 57352926 IVGHEUAXIIPOGR-UHFFFAOYSA-N 336.203 5.488 0 40 EKAB Clc1ccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 95094742 LXEVWDAFBSPXPP-UHFFFAOYSA-N 333.616 5.160 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223142495 LPDDBEVIZROFSP-FQEVSTJZSA-N 338.520 5.312 0 40 EKAB CCCC[C@H](CC)CNC(=O)CSCc1c(F)cccc1Cl 223455755 LYGWMYDPYVAYSZ-ZDUSSCGKSA-N 345.911 5.045 0 40 EKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C1CCCC1 224462803 YAVFLEXALIXWKR-UHFFFAOYSA-N 345.826 5.270 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CCCC)OC)cc1C 225620785 SGGVPHGSLFMZAS-FQEVSTJZSA-N 335.488 5.016 0 40 EKAB Cc1ccccc1NC(=O)NCCc1ccc(-c2ccsc2)s1 575413994 FZQGMUXRRJAYNO-UHFFFAOYSA-N 342.489 5.149 0 40 EKAB CCc1cccc(C)c1NC(=O)CSCc1ccc(Cl)cc1 382525 DGDHRABOZVEGNH-UHFFFAOYSA-N 333.884 5.083 0 40 EKAB C/C=C(\C)c1cccc(OCc2ccccc2)c1OCc1ccccc1 1563588 SVTIHMMJGHVHJE-QBROUFQSSA-N 344.454 6.268 0 40 EKAB CC(C)Cc1ccc([C@@H](C)c2nnc(-c3ccccc3Cl)o2)cc1 2383495 BATXQXOZRUSTRJ-CQSZACIVSA-N 340.854 5.740 0 40 EKAB Cc1ccc(C(=O)C[C@@H](SCc2ccco2)c2cccs2)cc1 2551453 AYBIGZADJWYZJH-LJQANCHMSA-N 342.485 5.897 0 40 EKAB Cc1nn(-c2ccccc2)c2c1C1=C(CCCC1)C1(CCCCC1)N2 3348850 WMIFTRFVHLYGRZ-UHFFFAOYSA-N 333.479 5.637 0 40 EKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccco1)C[C@@H]2c1ccco1 4992887 ZGHACBZPAPUOSC-QGZVFWFLSA-N 343.386 5.158 0 40 EKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 5861897 LLEJGVUUODKTBE-SECBINFHSA-N 344.625 5.053 0 40 EKAB COc1ccc(Oc2nc3ccccc3nc2Cc2ccccc2)cc1 6182033 DZPUOVDLDYBFLP-UHFFFAOYSA-N 342.398 5.022 0 40 EKAB C[C@@H](c1ccccc1)n1c(-c2csc3c2CCCC3)n[nH]c1=S 13950206 FNTGMWAZYOEPKQ-LBPRGKRZSA-N 341.505 5.157 0 40 EKAB CCC[C@@H](C(=O)Nc1ccc(-c2nccs2)cc1)c1ccccc1 14117973 OMZQEBGSUNUODC-GOSISDBHSA-N 336.460 5.333 0 40 EKAB COc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1C 15578018 ALQJAMKDHPWCON-UHFFFAOYSA-N 325.452 5.503 0 40 EKAB Fc1ccc(Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 20798196 ZLRKIDGZPHSRME-UHFFFAOYSA-N 339.317 5.107 0 40 EKAB Cc1ccc(C(=O)N(Cc2ccco2)c2cccc(Cl)c2)cc1 27795747 CDHCHZWKMKNQLF-UHFFFAOYSA-N 325.795 5.088 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 89688843 ZIHYNVNPBDMDSU-ZDUSSCGKSA-N 332.447 5.162 0 40 EKAB S=c1sc2c(s1)S[C@@H]1[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C[C@H]1S2 100554056 YJEUJNZJEIHEBL-JAJCVEGXSA-N 328.574 5.316 0 40 EKAB Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 222825373 WKFJCKKDCZBWNC-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB Cc1ccc([C@@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)cc1 223114321 QGSIMQDYVBSYHE-QFIPXVFZSA-N 349.861 5.097 0 40 EKAB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2c1 184776 WHGWFHQPZIKRMP-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Cc1cc2c(O)c(-c3ccc(F)cc3)c3sc(=O)oc3c2cc1C 534835 HCTRIFFTHVLPJI-UHFFFAOYSA-N 340.375 5.136 0 40 EKAB CC(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12 555276 IUGBRLKCJIBQCA-UHFFFAOYSA-N 329.399 5.076 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc2ccccc2c1 568891 HXLRTIJRXNXEGC-MRXNPFEDSA-N 333.431 5.371 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CCC=CCCC=CCC[C@H]12 1055274 LDWOCVLKNFPNQW-MMBKUXRPSA-N 345.486 6.107 0 40 EKAB Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(Cl)c2c1C 4204580 KNDNQPOMVPAUTQ-UHFFFAOYSA-N 340.782 5.230 0 40 EKAB Cc1ccc(Cl)c2sc(NC(=O)c3cccc(Cl)c3)nc12 4330801 FXOPGDZBNHZJOF-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB Clc1ccc(C2=NN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 4671379 MACIUSNYYANAKR-NRFANRHFSA-N 346.861 5.344 0 40 EKAB CCCCOc1ccc(-c2nc3ccccc3[nH]2)c(OCCCC)c1 5397824 QJEXBYKHJYWUGG-UHFFFAOYSA-N 338.451 5.588 0 40 EKAB COc1ccc(OC)c(C[C@@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 5515879 YNTBOVIYSGWPEU-WIQPIVSASA-N 342.523 6.045 0 40 EKAB Cc1ccc(SCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6477487 SERXWMKJAPYJJT-UHFFFAOYSA-N 339.382 5.135 0 40 EKAB Cc1ccc(SCC(=O)Nc2c(Cl)cccc2Cl)cc1 11400467 HGXALIQQFLEELR-UHFFFAOYSA-N 326.248 5.033 0 40 EKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1Cl 12914042 IJFSQDJNVZMBIA-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB Cc1oc(-c2ccc(Cl)cc2)cc1-c1nnc(-c2ccccn2)o1 20721895 PUTDYOOQRFAMLM-UHFFFAOYSA-N 337.766 5.020 0 40 EKAB O=C(CCc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 60866081 MVYZTIZVUBQZRJ-UHFFFAOYSA-N 345.723 5.069 0 40 EKAB CC(C)c1ccc(NC(=S)NCCSC2CCCCC2)cc1 225356342 GRTYRWMPMCUWQU-UHFFFAOYSA-N 336.570 5.162 0 40 EKAB CCc1ccc([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1 225635160 FTFJXTNLEJALFK-AWEZNQCLSA-N 347.911 5.013 0 40 EKAB CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1 489493 LCWHOMOZMJEPEV-JOCHJYFZSA-N 345.527 5.047 0 40 EKAB CC1(C)Cc2ccccc2C(CC2=NC(C)(C)Cc3ccccc32)=N1 1020621 NFIQASNOMLZSGR-UHFFFAOYSA-N 330.475 5.025 0 40 EKAB COc1ccccc1-c1cn(-c2ccc(Cl)c(Cl)c2)nc1C 1390450 JKFBFBAKMXCGOB-UHFFFAOYSA-N 333.218 5.163 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)NC1CCCCCCCCCCC1 1787761 VYGSIAQWHWWXBX-SAPNQHFASA-N 347.930 6.143 0 40 EKAB CC(C)c1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 1802742 QVDJZOVKCZJXRA-UHFFFAOYSA-N 346.455 6.274 0 40 EKAB C[C@@H]1CCCC[C@@H]1NC(=O)c1sc2cc(Cl)ccc2c1Cl 3287306 XUJGIQQXIYOIOA-SKDRFNHKSA-N 342.291 5.517 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 3328103 FUQILPHTBHIBTD-CQSZACIVSA-N 334.419 5.416 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)cc3C)o2)cc1 5013716 WXBVNRBQLZGTBI-UHFFFAOYSA-N 335.403 5.036 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 6340550 YKLITCRCAFFBBO-RBUKOAKNSA-N 329.399 5.221 0 40 EKAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1Cl 8007572 SAJCEVOIGWLFJN-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 8479459 GAFZXICYBLNUKN-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 8492952 AYOSEPCHBZFXPL-QGZVFWFLSA-N 325.452 5.052 0 40 EKAB C[C@H](NCc1ccccc1OCc1ccccc1F)c1ccccc1 8534284 DXJSZAXWPADJGU-KRWDZBQOSA-N 335.422 5.256 0 40 EKAB CSc1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13687296 JPDNQUBBTPBCLZ-UHFFFAOYSA-N 349.455 5.240 0 40 EKAB COc1ccccc1Nc1c(-c2cccs2)nc2cc(C)ccn12 35616051 WZAGZWVMTBGJTM-UHFFFAOYSA-N 335.432 5.123 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 40913161 OQNLRKVCXRLHGY-HOTGVXAUSA-N 339.907 5.057 0 40 EKAB CCOc1ccc2nc(C)cc(NC3C4CC5CC(C4)CC3C5)c2c1 41127734 PHQRACWYSXGZFM-UHFFFAOYSA-N 336.479 5.179 0 40 EKAB Cl/C(=C/c1ccc(-n2ccnc2)cc1)c1nc2ccccc2s1 96891372 ROEXIOYZWQKLRG-RVDMUPIBSA-N 337.835 5.219 0 40 EKAB CC(C)(C)c1ccccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1 192546082 YLALXXNLPXPFFX-UHFFFAOYSA-N 347.462 5.056 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)CCCC2 222901657 CSSDSPYCBYVVDH-LHNRBYRGSA-N 339.866 5.109 0 40 EKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccccc1Br 584600888 NGOMAGQXFBFDGT-UHFFFAOYSA-N 348.240 5.522 0 40 EKAB Cc1ccc([C@@H](C)c2cc(C)c([C@H](C)c3ccc(C)nc3)cc2C)cn1 1013366 MDBJKYLUAVXIGT-WOJBJXKFSA-N 344.502 6.014 0 40 EKAB COc1ccc(N[C@@H](c2cccnc2)c2c(C)[nH]c3ccccc23)cc1 1281026 CLSJDMJTYSZHMC-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB CC(C)(C)c1ccc(Oc2nc3ccccc3nc2C(F)(F)F)cc1 3134547 PGRGRPAFVBACCO-UHFFFAOYSA-N 346.352 5.738 0 40 EKAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccccc3Cl)sc2C1 3207611 MUBZRROXONYZIY-LLVKDONJSA-N 348.899 5.200 0 40 EKAB O=C(Nc1ccc(SC(F)F)cc1)c1ccc(C(F)(F)F)cc1 3447657 TUJPYYKRXQMZQG-UHFFFAOYSA-N 347.308 5.272 0 40 EKAB CSc1ccc(-c2nc3ncccn3c2Nc2ccccc2C)cc1 3911632 OFOWALIDCZRXDX-UHFFFAOYSA-N 346.459 5.170 0 40 EKAB Cc1ccc2c(c1)sc1nc(-c3ccc(Cl)c(Cl)c3)cn12 6908976 QALJBFSMMYJTQI-UHFFFAOYSA-N 333.243 5.831 0 40 EKAB CCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 7261657 RBPYQVDTGHZEKJ-UHFFFAOYSA-N 338.278 5.462 0 40 EKAB Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1ccc2ccccc2n1 7586823 RKXNWMOCDRGXBA-CCEZHUSRSA-N 339.442 5.267 0 40 EKAB CC(C)(C)c1ccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1 8903511 YYLPOEHJHVEKEC-UHFFFAOYSA-N 326.831 5.166 0 40 EKAB CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)F)cc1 44088149 GYSCSNCZPOKUTM-UHFFFAOYSA-N 346.402 5.171 0 40 EKAB CCCCN1C(=O)CC[C@H](Sc2ccccc2)[C@@H]1c1ccccc1 65090594 WHLHRHFMMSWCOI-FPOVZHCZSA-N 339.504 5.311 0 40 EKAB COc1ccc2c(-c3ccccc3)c(C(=O)N3CCCC[C@@H]3C)oc2c1 75122992 HKAPIHLBTISPPV-HNNXBMFYSA-N 349.430 5.123 0 40 EKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 107030868 MSVHITHJQGCGBF-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB C[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(C(C)(C)C)cc1 225406164 KORLUFIRXVZCJX-GFCCVEGCSA-N 348.462 5.310 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3ccc(Cl)cc3)CCCC2)c1 225844977 KHALJRPUNXGVJG-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB CCC1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]32)C1 245241076 WYXLHJNYQBRALN-JFMDDGTCSA-N 344.539 5.907 0 40 EKAB CC(C)C[C@H](N)COc1cccc(F)c1Oc1ccc(Cl)cc1 257271248 MXMMEDZMWZVJBS-AWEZNQCLSA-N 337.822 5.024 0 40 EKAB CCCCSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 409104801 IGZROKDPPUJYKO-UHFFFAOYSA-N 337.492 5.443 0 40 EKAB Cc1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1Cl 92356 YWYTYDYUMRDTGO-GXFFZTMASA-N 332.658 5.178 0 40 EKAB Clc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 319460 GFEOGPSAFBRRPN-UHFFFAOYSA-N 325.843 5.399 0 40 EKAB Clc1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 411402 WBWIWMRMTGVMTA-UHFFFAOYSA-N 345.833 5.314 0 40 EKAB Cc1ccc(Oc2nc(-c3ccccc3F)nc3ccccc23)cc1 520591 UCTSTULCIQNARV-UHFFFAOYSA-N 330.362 5.537 0 40 EKAB Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 540736 IJFCDDDFCAPVGP-UHFFFAOYSA-N 349.192 5.241 0 40 EKAB Cc1cc(Cl)ccc1Oc1nc(C(F)(F)F)nc2ccccc12 1383134 MUCDIPOAAVSMKJ-UHFFFAOYSA-N 338.716 5.403 0 40 EKAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3Cl)c(C)c2)cc1 1866148 DBKXRXFTJOSAPX-UHFFFAOYSA-N 336.818 5.843 0 40 EKAB CCCCCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 2427425 ZSZDUZQJMBLGDK-UHFFFAOYSA-N 348.425 5.366 0 40 EKAB Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 2566944 LMQJBFRGXHMNOX-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic Cc1cc(C)c(NC(=O)c2ccccc2C(F)(F)F)c(Cl)c1 3325729 GMVDEBBBDZQZAP-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB C[C@@H](NCC[C@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1 4834777 OQCCEORISKRECA-OXQOHEQNSA-N 339.866 5.806 0 40 EKAB c1coc(-c2c3c(nc4c2oc2ccccc24)CCc2ccccc2-3)c1 6346790 MAXNGFZKKYXHIG-UHFFFAOYSA-N 337.378 6.007 0 40 EKAB c1ccc2[nH]c(Sc3ccc(-c4nc5ccccc5s4)o3)nc2c1 6610097 ZOKWTBYANZNKEK-UHFFFAOYSA-N 349.440 5.584 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)nc2ccccc12 6649866 SZLGIACMYWPKPW-UHFFFAOYSA-N 348.446 5.102 0 40 EKAB Cc1ccc(-c2noc(SCc3cccc4ccccc34)n2)cc1 7605144 ZCPCEOPMOFYREH-UHFFFAOYSA-N 332.428 5.491 0 40 EKAB CC[C@H](C)Oc1ccc(NCc2ccc(OCC(C)C)cc2)cc1 19737536 ZFFZJVUAZOEXHR-KRWDZBQOSA-N 327.468 5.511 0 40 EKAB CCCOc1ccc(NCCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 55142459 OESIEEILVIMWSX-UHFFFAOYSA-N 341.495 5.063 0 40 EKAB COC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 73635338 BOLWUBQYUITVLV-UHFFFAOYSA-N 338.215 5.057 0 40 EKAB Cc1nnc([C@H](C)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 77676163 PIBYTIZMZOCTHG-YWZLYKJASA-N 341.499 5.474 0 40 EKAB FC(F)(F)[C@H]1CCC[C@@H](NCc2cccc(OC3CCCC3)c2)C1 84374537 IRXJISAZLYFBEI-JKSUJKDBSA-N 341.417 5.219 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)c1 113934979 JSNGOPVVFZTUKY-LSDHHAIUSA-N 347.911 5.315 0 40 EKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C(C)(C)C 222548396 SIJLKIPWMLXOLZ-UHFFFAOYSA-N 333.815 5.126 0 40 EKAB Cc1ccc(-n2nc(C)c(C=O)c2Sc2ccc(Cl)cc2)cc1 1426572 WZTNLVNKPFQYTB-UHFFFAOYSA-N 342.851 5.106 0 40 EKAB O=C(CCCCCCC(=O)c1ccc(F)cc1)c1ccc(F)cc1 2256956 ADEZYBRPGBHUFM-UHFFFAOYSA-N 330.374 5.371 0 40 EKAB Cc1cc(SCC(=O)c2ccc(Cl)s2)nc2c(C)cccc12 3446813 MOTOHFRHKQJNKV-UHFFFAOYSA-N 347.892 5.542 0 40 EKAB COc1ccc(/C=C\c2cccc(/C=C\c3ccc(OC)cc3)n2)cc1 4522657 VUCBVXIRDFJBOX-QXFGSWAMSA-N 343.426 5.440 0 40 EKAB CCC(CC)[C@@H]1Nc2c(C(=O)O)cc(Cl)cc2[C@H]2[C@H]3CC[C@H](C3)[C@H]12 4722549 CQASREBRZYVQSE-PCWYZGSCSA-N 347.886 5.398 0 40 EKAB CCc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 5155785 TYFSTMXJIMRAHY-UHFFFAOYSA-N 342.398 5.357 0 40 EKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 20039674 FHGRYSXQSJTRQM-GOSISDBHSA-N 339.479 5.450 0 40 EKAB Cc1ccc(C)c(NC(=O)CSCc2cccc3ccccc23)c1 23411308 FQWHEIZYLSQGNZ-UHFFFAOYSA-N 335.472 5.329 0 40 EKAB CCCCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 30827973 APDNKSRFQKBRCZ-UHFFFAOYSA-N 340.448 5.106 0 40 EKAB CCCCN[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 31911556 RTLVKWIQBKLSKT-KRWDZBQOSA-N 336.262 5.307 0 40 EKAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1csc(-c2ccco2)n1 63522420 BLANLBYBGYFYDR-OAHLLOKOSA-N 342.464 5.108 0 40 EKAB CCc1ccc(CC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 223697606 GUKCWYCTCOSBJA-DEOSSOPVSA-N 343.470 5.006 0 40 EKAB O=C(CCc1ccccc1F)Nc1ccc2c(c1)oc1ccccc12 225149504 UPQIIUGYKAMQBH-UHFFFAOYSA-N 333.362 5.296 0 40 EKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1-c1ccccc1 225850477 JOPLNZHWTOPQLG-UHFFFAOYSA-N 339.797 5.327 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 226295552 PGSVYARLBLRXFC-UHFFFAOYSA-N 334.418 5.836 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H]2[C@H]3CCC=CCCC=CCC[C@H]32)c(C)c1 1559660656 FWYWHXFRKQRPHK-AERCQKQUSA-N 337.507 5.879 0 40 EKAB Clc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 519973 ISMDJEWLVHMDGS-UHFFFAOYSA-N 332.794 5.089 0 40 EKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1 567917 HCJZDJGBTHOGKX-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB CC(C)(C)c1cc(C(=O)N2CC(c3ccccc3)C2)cc(C(C)(C)C)c1 1018272 CJBZNVXUUCBNGO-UHFFFAOYSA-N 349.518 5.521 0 40 EKAB Cc1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl 3263201 XUAXRDPJFVSFSV-UHFFFAOYSA-N 337.227 5.736 0 40 EKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)C1CCCCC1 4176271 CRPHJMJLHTXOFM-UHFFFAOYSA-N 336.460 5.067 0 40 EKAB Cc1cc2cc(CNC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2[nH]1 4266036 FGKHZDMDWHEXTJ-UHFFFAOYSA-N 348.233 5.105 0 40 EKAB CN(C)c1ccc(C2(Cl)c3ccccc3N(C)c3ccccc32)cc1 4522533 UVVRHYRPKMGPLJ-UHFFFAOYSA-N 348.877 5.365 0 40 EKAB Cc1ccc(C)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 4708513 YEQLXUIIVGICSW-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB CC(C)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 5242693 LWRAMXSFQFAJME-RJGXRXQPSA-N 327.556 5.818 0 40 EKAB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1 5370523 NQTOBYSEJRIWBH-UFWORHAWSA-N 348.060 6.136 0 40 EKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)c(C)c1 7813360 DSWVNNSECXTRPM-UHFFFAOYSA-N 339.822 5.778 0 40 EKAB CC(C)(C)C1CCC2(CC1)Nc1ccccc1-c1nc3ccccc3n12 12571922 DSSPXIGWNKXGCZ-UHFFFAOYSA-N 345.490 6.018 0 40 EKAB CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@@H](c2ccc(F)cc2)C1 14607122 VPUAXKJOFWKCMY-GOSISDBHSA-N 337.373 5.222 0 40 EKAB CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 16788852 XMGVKSWYVWJVEZ-UHFFFAOYSA-N 347.846 5.050 0 40 EKAB O=C(c1sc2ccccc2c1Cl)N1CCC[C@@H]1c1cccs1 22131758 RJOCPYCDLDMTCQ-GFCCVEGCSA-N 347.892 5.594 0 40 EKAB O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12 29332174 FUXXJJQOQDOBAU-UHFFFAOYSA-N 343.357 5.406 0 40 EKAB C[C@H](Sc1c(Cl)cccc1Cl)c1nc(-c2ccco2)no1 29738043 DVQAVVYQIOURTN-QMMMGPOBSA-N 341.219 5.490 0 40 EKAB Cc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)cc1 33297000 FGPMJQQOBDASKJ-UHFFFAOYSA-N 346.253 5.020 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 40913180 LZNJTGXNYHMQKD-MRXNPFEDSA-N 345.870 5.288 0 40 EKAB CSc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 218976438 VYXWCHNYGITBTL-UHFFFAOYSA-N 349.455 5.240 0 40 EKAB CC1(C)[C@H]2CC[C@H]1[C@@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 222089052 BNRWIFFGXQRKHM-CHIMOYNISA-N 328.239 5.367 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)CCSCc2ccccc2)cc1C 223453333 NTXJCEQUCMBLLA-SFHVURJKSA-N 341.520 5.113 0 40 EKAB CC(C)C[C@H](NC(=S)Nc1c(F)cccc1F)c1ccccc1 225493899 DSCIYOONEBLOAS-INIZCTEOSA-N 334.435 5.039 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225624345 ZLTGNTCWVLPPII-HXUWFJFHSA-N 335.488 5.015 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 225675330 AFNWGMFPQITXMT-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB O=C(CCC1CCCC1)c1ccc(Br)c(C(F)(F)F)c1 312343870 RFECVYATRGHBNW-UHFFFAOYSA-N 349.190 5.621 0 40 EKAB CC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 408630346 SDRZUKZPZSVCTF-UHFFFAOYSA-N 329.355 5.041 0 40 EKAB COc1cc(CNc2ccccc2C)ccc1OCc1ccccc1 409109564 HGHOOGPSJRIXQI-UHFFFAOYSA-N 333.431 5.195 0 40 EKAB CC[C@H](C)n1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 539628 GLQJFWAJHCHKPH-LBPRGKRZSA-N 336.826 5.271 0 40 EKAB CC(C)c1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 560675 BYILDJXDKOYIFW-SXGWCWSVSA-N 331.337 5.322 0 40 EKAB C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 1105727 PMIZTEXTAJTAKL-OAHLLOKOSA-N 329.399 5.006 0 40 EKAB Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccccc3C)n2c1 3911559 GLLYAQYLMGZIIA-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)C1CCCC1 4556371 BLDDWRASWAGJKM-UHFFFAOYSA-N 334.872 5.378 0 40 EKAB Cc1cccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1 4970890 ZYFQCSPWOLEIFM-UHFFFAOYSA-N 346.455 5.312 0 40 EKAB Cc1ccc(-c2nnc(-c3cc4c(s3)-c3ccccc3CC4)o2)cc1 5942546 AWZYJZMCCHEYDE-UHFFFAOYSA-N 344.439 5.539 0 40 EKAB Clc1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1Cl 6828741 KPABWWFFLZPWNF-UHFFFAOYSA-N 336.247 5.230 0 40 EKAB CSCCSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 7738660 QAVQQMYYQAWPEB-UHFFFAOYSA-N 338.548 5.322 0 40 EKAB S=c1nc(CCc2ccccc2)[nH]c2sc3c(c12)CCCC3 13534514 WECSEOUYPKVLML-UHFFFAOYSA-N 326.490 5.018 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 13774795 XNFJDNOCWUZHQX-MRXNPFEDSA-N 340.536 5.649 0 40 EKAB C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl 13810581 JSGCDAKRIPGQSF-FRVJLOGJSA-N 348.273 5.220 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 20481502 YLFIXYKYTWSLNH-HNAYVOBHSA-N 345.870 5.011 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(C)C 44843939 SNMJFOLABBYSFU-IBGZPJMESA-N 325.452 5.223 0 40 EKAB FC(F)(F)c1ccc(SCc2nc3ccccc3s2)nc1 57562948 XUIKJFQUFOPUND-UHFFFAOYSA-N 326.368 5.002 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 100994590 CUOJJHDEHUPGNT-IXBGWNDUSA-N 342.266 5.757 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C(C)C)cc1 113970008 AUBGDGWEHJXPDN-LJQANCHMSA-N 325.452 5.223 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc2c3c(cccc13)CC2 224435823 UMZWAQAWGCWVOU-HXUWFJFHSA-N 345.442 5.043 0 40 EKAB CC[C@H](C)Oc1ccc(NC(=O)C2(C)CCCC2)c2ccccc12 225788593 QTAJMQLJLSPTAN-HNNXBMFYSA-N 325.452 5.536 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)c(C)s1 408580194 MYPFHKKAPUXLPX-UHFFFAOYSA-N 336.460 5.296 0 40 EKAB COc1cccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCC5)c1 95345 XFXPQMMWWMORIZ-UHFFFAOYSA-N 346.382 5.012 0 40 EKAB biogenic CCN[P@@](=O)(OC)SCc1c(Cl)sc2ccccc12 162022 YQKIVTWPBIQXRM-QGZVFWFLSA-N 335.818 5.152 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)cc1 505804 JRGYYCASFONBPN-SJORKVTESA-N 339.479 5.731 0 40 EKAB CC(C)Oc1ccc([C@@H](CCNCc2ccccc2)C(C)C)cc1 1826519 PSDACXDDUBJSOW-QFIPXVFZSA-N 325.496 5.393 0 40 EKAB biogenic C[C@H](Sc1nc2ccccc2o1)C(=O)C12CC3CC(CC(C3)C1)C2 7780063 KNFCANKUBFOIIP-PGBBXINNSA-N 341.476 5.094 0 40 EKAB C[C@@H](NCc1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 8534872 MMVLLBOTYXLKSP-NCJOGADSSA-N 345.530 6.048 0 40 EKAB CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(C)cc3)nc21 17067479 JXONCLPSWAQCKN-UHFFFAOYSA-N 329.394 5.453 0 40 EKAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 17068541 ARBZCFFHLTYJRF-UHFFFAOYSA-N 333.357 5.226 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1c(C)cccc1C(C)C 20107720 HGQKOLRHEPUQSP-LJQANCHMSA-N 339.479 5.531 0 40 EKAB CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C)c(C)c1 224056470 VZLZCWIHUBDXNL-OAQYLSRUSA-N 335.491 5.383 0 40 EKAB CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2C)cc1 225714124 OGRBPKXDIMGBJP-IBGZPJMESA-N 342.508 5.140 0 40 EKAB CCOc1ccc(Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)cc1 409047189 NOPRQUCSNVKNBS-UHFFFAOYSA-N 338.476 5.878 0 40 EKAB Cc1nc2ccc(C(=O)Oc3ccc(C(C)(C)C)cc3)cc2s1 409188241 BYQYUBUZWUIPFG-UHFFFAOYSA-N 325.433 5.121 0 40 EKAB O=C(Nc1cc(C(F)F)ccc1Cl)c1cccc2cccnc12 564370955 PNCMWBPOUNWGLN-UHFFFAOYSA-N 332.737 5.078 0 40 EKAB CSCCC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359030 MYHGIUINCXJCCM-UHFFFAOYSA-N 347.483 6.092 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 45822 OBFUHOFFILTKJS-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CCCN(CCC)Cc1ccccc1Sc1ccccc1OC 346208 LRZDRIKSLPGZTK-UHFFFAOYSA-N 329.509 5.468 0 40 EKAB CCOc1ccc(C2=C[C@H](c3ccc(C)cc3)c3ccccc3O2)cc1 2302106 ZKNRAJXIZQVMSR-JOCHJYFZSA-N 342.438 5.959 0 40 EKAB O=C(Cc1c[nH]c2ccccc12)OCc1ccc(-c2ccccc2)cc1 5262064 DWZQVCKMNCMVGQ-UHFFFAOYSA-N 341.410 5.121 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc(C)c3C)sc2c1 5619204 MTILCWVXTHELPP-UHFFFAOYSA-N 329.852 5.732 0 40 EKAB c1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2cccs2)cc1 5819261 OEKBJAIOOTVBIT-UHFFFAOYSA-N 341.439 5.954 0 40 EKAB CCc1cccc2c(C=O)cn(Cc3ccc(Cl)c(Cl)c3)c12 6285840 UDDSFCRTYHDWBG-UHFFFAOYSA-N 332.230 5.371 0 40 EKAB Cc1c(Sc2ccccc2)c(-c2ccccc2)nc2ccccc12 6792554 DIJNIZRQSZPECA-UHFFFAOYSA-N 327.452 6.361 0 40 EKAB c1ccc(-c2c3c(nc4ccccc24)-c2ccccc2SC3)cc1 12551024 DJAJYPFZUOMRDU-UHFFFAOYSA-N 325.436 6.175 0 40 EKAB CCCC[C@@](Cc1ccccc1)(C(=O)OCC)c1ccc(Cl)cc1 17005544 APANIFBWNHZMSZ-NRFANRHFSA-N 344.882 5.574 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc(CSc2ccccn2)cc1 32117663 DRDISYSQIIVOGR-UHFFFAOYSA-N 348.471 5.243 0 40 EKAB CC(C)COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 36640203 JYBMZIPKAGABHG-DYQZNNLLSA-N 326.480 5.147 0 40 EKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2cccs2)S1 85412372 URAMTRDIAJQROR-OAHLLOKOSA-N 347.509 5.019 0 40 EKAB CCCCC[Sn+](CCCCC)CCCCC 196800771 GFOONYFHRXCLHG-UHFFFAOYSA-N 332.140 6.052 0 40 EKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225735955 ISPPDYGJEOHZJQ-LAUBAEHRSA-N 349.515 5.342 0 40 EKAB CCc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1 226295018 VWYFJLOCRUXHDP-UHFFFAOYSA-N 329.399 5.636 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 145350 CFDKBCBPIIEJST-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(SCc4ccccc4F)c23)C1 351729 CMWSDWHPYRYSII-LLVKDONJSA-N 344.480 5.248 0 40 EKAB Cc1ccc(OC(=O)c2ccccc2)cc1CC(Cl)(Cl)Cl 1626881 CYCWUXOGAVXCDM-UHFFFAOYSA-N 343.637 5.127 0 40 EKAB Cc1cc(C)cc(N2C(=O)CSC23CCC(C(C)(C)C)CC3)c1 2170781 UMYINOOCKDBEBF-UHFFFAOYSA-N 331.525 5.316 0 40 EKAB Cc1cc(Cl)cc(Cl)c1NC(=O)C1(c2ccccc2)CCCC1 2512716 LMIWODCTPCNAKC-UHFFFAOYSA-N 348.273 5.752 0 40 EKAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)o1 4539846 FZAXODRQJOVCAE-GWCFXTLKSA-N 338.234 5.281 0 40 EKAB Cc1ccccc1CSc1ncnc2scc(-c3ccccc3)c12 5414188 RDFYQTPCOMKWLR-UHFFFAOYSA-N 348.496 5.959 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2C)N3)C1 6706966 NJQLWEYGWBLIBX-PXAZEXFGSA-N 326.465 5.000 0 40 EKAB Fc1ccc([C@@H](CCN2CCCCC2)c2ccc(Cl)cc2)cc1 6760438 IXTYKUMHNRUWAI-FQEVSTJZSA-N 331.862 5.487 0 40 EKAB Cc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1C 7942457 AXJRTGCRKKAIRR-UHFFFAOYSA-N 331.415 5.058 0 40 EKAB c1ccc(-c2nc(SCc3ccon3)[nH]c2-c2ccccc2)cc1 12376910 YODMXJMCONPQMH-UHFFFAOYSA-N 333.416 5.024 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2c(Cl)cccc12 14258288 ZRINJENIDRQGIR-UHFFFAOYSA-N 349.739 5.764 0 40 EKAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 19932785 QZCWGCPDXXHVMJ-HXUWFJFHSA-N 333.431 5.198 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C 59351129 XUMLCRFYDPTTFO-GOSISDBHSA-N 329.443 5.461 0 40 EKAB Cc1ccc(-c2csc(Nc3ccccc3Br)n2)cc1 67321659 XTPXIAMIAYBOGW-UHFFFAOYSA-N 345.265 5.625 0 40 EKAB COc1ccc2c(-c3ccccc3)c(C(=O)N3CCCC[C@H]3C)oc2c1 75122987 HKAPIHLBTISPPV-OAHLLOKOSA-N 349.430 5.123 0 40 EKAB COc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 100654200 YGLWROSZTNRXEA-OAQYLSRUSA-N 348.446 5.567 0 40 EKAB Cc1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1 100970372 XDJDOICOLVQZMC-AYJAPBJVSA-N 345.486 5.472 0 40 EKAB C[C@@]12CC3CC(C(=O)Nc4ccc(F)c(Cl)c4)(C1)C[C@@](C)(C3)C2 101024232 FJXXGHFQTINOEJ-GYLWBPJWSA-N 335.850 5.414 0 40 EKAB CCc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 223128288 ZEAMXKCIKZXSNE-UHFFFAOYSA-N 332.428 5.264 0 40 EKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225533372 OPABZUUKEKDFGS-UHFFFAOYSA-N 337.463 5.314 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CC)OCCC)cc1C 225732408 PXRVPNYLWRKXKC-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB CCC[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(=O)c1ccccc1 245239238 GTJWLICNGQSVJA-FRYIKTPZSA-N 344.495 5.290 0 40 EKAB CCCCC/C=C/C/C=C\C/C=C/C[C@@H]1O[C@@H]1CCCC(=O)OC 299888780 XGESKIWNDBIILZ-KZYWCDQISA-N 334.500 5.516 0 40 EKAB Fc1ccc(COc2ccccc2CNc2ccccc2Cl)cc1 409182376 KMCUWVJSDUUTFV-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 1559538620 XYFUVLIWAXYEIS-BWTSREIZSA-N 329.871 5.607 0 40 EKAB COP(=O)(OC)C1c2cc(Cl)ccc2-c2ccc(Cl)cc21 1638382 OFFCPTYNWDJRLW-UHFFFAOYSA-N 343.146 5.549 0 40 EKAB Cc1ccc(SC2=NNC(c3ccccc3)=Nc3ccccc32)cc1 2192602 FHYGLUHFTCZPOW-UHFFFAOYSA-N 343.455 5.130 0 40 EKAB Cc1ccccc1-c1cc(C(=O)NC2CCCCC2)c2ccccc2n1 2748406 BRWFPTYIRXHRJT-UHFFFAOYSA-N 344.458 5.273 0 40 EKAB Cc1cc(C)c2nc(NC(=O)Nc3cccc(Cl)c3)sc2c1 4072495 GYMPDGZDEZDQMA-UHFFFAOYSA-N 331.828 5.211 0 40 EKAB Cc1c(Cl)ccc2sc(NC(=O)c3cccc(Cl)c3)nc12 4330797 IQPNIRSHDSGCQJ-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CC(C)CC[C@H](CCN[C@@H](C)c1ccc(Cl)cc1)c1ccco1 5323191 NNSCSQWLZUNLPB-FUHWJXTLSA-N 333.903 6.194 0 40 EKAB CCCOc1cc2c(cc1[C@@H](C)c1ccc(OCC)c(C)c1)OCO2 5785282 KEDHPWBIHOCGBC-HNNXBMFYSA-N 342.435 5.063 0 40 EKAB O=C(NC1CCCCCCC1)c1cccc(OCc2ccccc2)c1 7668538 VZEGOIQRHHSYLO-UHFFFAOYSA-N 337.463 5.108 0 40 EKAB CCc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 8083500 BVJSYSJNLGYBRO-MHWRWJLKSA-N 343.835 5.143 0 40 EKAB c1ccc(-c2cc(-c3ccc[nH]3)nc3sc4c(c23)CCCC4)cc1 12699644 PWIUXDXHNWVNKT-UHFFFAOYSA-N 330.456 5.837 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708342 MWANPLDSUCSJEM-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB O=C(Nc1nc(-c2cccs2)cs1)Nc1ccccc1Cl 28225904 WSNVKWZGYQFGNC-UHFFFAOYSA-N 335.841 5.169 0 40 EKAB O=C(c1cccc2ccccc12)N(Cc1ccc2cc[nH]c2c1)C1CC1 32070144 RRYDCRDUNZABCF-UHFFFAOYSA-N 340.426 5.126 0 40 EKAB Cc1ccc2c(NC(=O)c3ccc(Cl)c(Cl)c3)cccc2n1 59294545 NHRLTNAPKYMODA-UHFFFAOYSA-N 331.202 5.102 0 40 EKAB Cc1ccc2nc(-c3cc(Br)ccc3Cl)oc2c1C 73639925 QDLUZTDTYUOZNA-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB Clc1ccccc1-c1cc(-c2ccc(Br)cc2)n[nH]1 95094741 ZIXDVXJCOCEDEX-UHFFFAOYSA-N 333.616 5.160 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 113935053 JYIHXANLCVGSEI-GJZGRUSLSA-N 347.911 5.315 0 40 EKAB C[C@@H]1CCC[C@@H](C)N1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 216841853 OXQIOKVGJVBTHD-HUUCEWRRSA-N 338.426 5.397 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1C 222980224 ZCYHTJFSTNEPSD-SFHVURJKSA-N 331.843 5.061 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 223345293 WAKIVEPXONCIGY-KRWDZBQOSA-N 339.479 5.648 0 40 EKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)oc1ccccc12 223378627 ULAJFDRSGZYRPG-KPKJPENVSA-N 331.346 5.377 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 224639924 AYAAKRORKDQIBR-UHFFFAOYSA-N 348.471 5.037 0 40 EKAB CCc1cccc(C)c1NC(=O)CCc1c(Cl)cccc1Cl 225350736 KJAQMFOPPLVILA-UHFFFAOYSA-N 336.262 5.436 0 40 EKAB C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609886 IECWTSWUVZMVIW-JPNGFMFNSA-N 344.583 6.220 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(CC)cc1 408585435 DQLDQHNQQMCDSY-UHFFFAOYSA-N 331.843 5.334 0 40 EKAB CCCCOc1ccc(CNC(=S)Nc2ccccc2)cc1Cl 5261206 LOWBYWRTSPBGLE-UHFFFAOYSA-N 348.899 5.006 0 40 EKAB Nc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)cc1 5581733 ARBIJFULXIRXDL-OAQYLSRUSA-N 346.455 5.332 0 40 EKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1 10215063 KVTYBJKOJWONMN-TZIWHRDSSA-N 346.455 5.299 0 40 EKAB C[C@@H]1CCCc2c1nc1sc3c(c1c2-c1ccccc1)CCCC3 12970757 UYDFGJNHENCDKO-CQSZACIVSA-N 333.500 6.282 0 40 EKAB c1ccc(C[C@H](NCc2nc3ccccc3s2)c2ccccc2)cc1 15487562 UEKNHGYMIZEDDO-FQEVSTJZSA-N 344.483 5.370 0 40 EKAB Cc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1C 70461585 WFQPQFRXROBUKV-UHFFFAOYSA-N 335.632 5.263 0 40 EKAB Fc1ccc(Cl)cc1NC(=S)Nc1cccc(Cl)c1F 71326224 WIPQFLHLTBXQCB-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 71760738 MOFKTVGPEDRFTJ-UHFFFAOYSA-N 339.291 5.926 0 40 EKAB CC(C)(C)OC(=O)N1CCC[C@H](CSc2ccc(Cl)cc2)C1 72203990 SIBAPGCHHOWVIR-ZDUSSCGKSA-N 341.904 5.079 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2c2nc(-c3ccc(Cl)cc3)cs2)C1 100088067 HDIBTYJKXVJLOS-HNAYVOBHSA-N 346.927 5.869 0 40 EKAB Cc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225339091 NXVGRPXJXYYMBG-ZDUSSCGKSA-N 336.262 5.112 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225624077 XRJLDPBQBDNJON-NRFANRHFSA-N 347.499 5.240 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1C 225757499 ROXSTTMHTAYRHP-INIZCTEOSA-N 336.863 5.225 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12 226296448 UGRSNRJKNPMMCU-UHFFFAOYSA-N 348.401 6.484 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCC(=O)O 255285299 YUFFSWGQGVEMMI-WWMAXSSBSA-N 330.512 6.773 0 40 EKAB COc1cccc2c(Nc3cccc(C(F)(F)F)c3)cc(C)nc12 107242 HLNMYXRDFBTURY-UHFFFAOYSA-N 332.325 5.314 0 40 EKAB Oc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1 148612 CRYZQJMDRYTPOI-FCDQGJHFSA-N 347.801 5.691 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1 3893583 RDUNIEBNOHGTMC-UHFFFAOYSA-N 340.448 5.036 0 40 EKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@H]2CCC[C@@]1(C)NCc1ccccc1 4428477 MMVNVYJRDHSDSD-UBFVSLLYSA-N 347.546 6.188 0 40 EKAB O=C(O)c1c(OCc2cccc3ccccc23)ccc2ccccc12 7604045 SOMPHNLBJMKTLJ-UHFFFAOYSA-N 328.367 5.270 0 40 EKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1(c2ccccc2)CCCC1 10372792 FIRPRCNMMPGMBY-UHFFFAOYSA-N 341.454 5.389 0 40 EKAB CCOc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1OC 12796169 LPAAYAOQFHRMCI-WEVVVXLNSA-N 329.783 5.059 0 40 EKAB COC(=O)c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)s1 16292609 LYZKSMFMMBVHDC-UHFFFAOYSA-N 337.444 5.621 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC1=CCCCC1 20037172 CHOYQBOSSYVQBD-NRFANRHFSA-N 337.463 5.004 0 40 EKAB CCCC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 33693684 IIXNDTWDOIZBTI-UHFFFAOYSA-N 346.257 5.979 0 40 EKAB CCN(C(=O)Nc1c(F)cccc1F)[C@@H](C)c1cc2ccccc2o1 56525437 JQTIVQDBNCDBBK-LBPRGKRZSA-N 344.361 5.326 0 40 EKAB Cc1ccc([C@@H]2Sc3ccccc3N=C3C[C@@H](C)CC(O)=C32)cc1 102602466 VATRZACVUICDRY-SZNDQCEHSA-N 335.472 6.157 0 40 EKAB Cc1cccc(C)c1C(=N)c1ccccc1Cc1cccc2ccccc12 104074759 LWCMIZMIRGZIAA-UHFFFAOYSA-N 349.477 6.464 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225700958 HBVKIRVQUCCMFR-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB CCOc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 304399588 VAXUENVJQNPPAT-UHFFFAOYSA-N 333.431 5.276 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1ccccc1CCc1ccccc1 129833 UOPSCARCCFCQTQ-UHFFFAOYSA-N 349.861 5.686 0 40 EKAB Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)OC(C)C 407925 UQMMRGUTRHBGPC-UHFFFAOYSA-N 342.366 5.025 0 40 EKAB biogenic CC(C)Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 3349639 AONRWUVMAOLQAO-UHFFFAOYSA-N 343.477 5.575 0 40 EKAB CSc1nc(-c2ccc(C)cc2)nc2c1Cc1cc(C)ccc1O2 4315809 OGQXVZQPNRUFJB-UHFFFAOYSA-N 334.444 5.179 0 40 EKAB CCOc1ccc2nc(SCc3ccc(C(C)(C)C)cc3)[nH]c2c1 5799676 JDSVIFGQESFZCE-UHFFFAOYSA-N 340.492 5.551 0 40 EKAB CCOc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 7310864 SBXTUBORNUTXOH-UHFFFAOYSA-N 349.883 5.250 0 40 EKAB O=C(CCc1c[nH]c2ccccc12)OCc1ccc(Cl)cc1Cl 12594705 RKOKGGMAPAZMPB-UHFFFAOYSA-N 348.229 5.151 0 40 EKAB C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1cccs1 12981175 UYAQBPCNDNRBFI-ZJUUUORDSA-N 343.279 5.176 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)C1(c2ccccc2)CC1 15963615 NSXMQXRFAVTPHD-UHFFFAOYSA-N 329.399 5.149 0 40 EKAB CCCCCCNc1nc(-c2ccc(C)s2)cc(C(F)(F)F)n1 36613462 USFDULQIVFIFCM-UHFFFAOYSA-N 343.418 5.525 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 44903632 PRXBBEXQUFIENZ-QGZVFWFLSA-N 343.492 5.212 0 40 EKAB O=Cc1c(Cl)nc(Sc2ccc(Cl)cc2)n1-c1ccccc1 47844040 CZLILUAZTIVSEI-UHFFFAOYSA-N 349.242 5.143 0 40 EKAB in-vitro CCCCN(C(=O)/C=C/c1csc(C)n1)[C@@H](CC)c1ccccc1 72285130 XKJACKDQSDOBSS-HYSAVQALSA-N 342.508 5.245 0 40 EKAB C[C@@H](CNC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 224279753 JHYXCMBILMJZRI-IBGZPJMESA-N 343.470 5.005 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccc3ccccc3c2)cc1C(C)C 225655489 RHTRFLADOKJWAP-UHFFFAOYSA-N 333.431 5.533 0 40 EKAB COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc(C)cc2)cc1 427573 CKCAKEJIMVYBHO-UHFFFAOYSA-N 343.430 5.370 0 40 EKAB CCOc1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1 478003 QJVPKPLLIYWWEX-UHFFFAOYSA-N 348.427 5.101 0 40 EKAB CCc1cccc(CC)c1NC(=O)Cc1coc2cc3c(cc12)CCC3 2657146 RYQLTKHYZLJYRE-UHFFFAOYSA-N 347.458 5.228 0 40 EKAB Fc1cccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)c1 4321500 JJYWCZBOEDZFSM-WOOPDLCSSA-N 342.417 5.847 0 40 EKAB COc1ccccc1/C=C\C1=C(C)CC[C@@H](c2ccccc2OC)[C@H]1C 5707128 TVPBJULSXPLFIN-YCCFGNAPSA-N 348.486 6.247 0 40 EKAB Cc1ccccc1-c1n[nH]c(-c2ccccc2C)c1Br 12396868 JAFHMKVFLZKUGH-UHFFFAOYSA-N 327.225 5.123 0 40 EKAB Cc1nc2ccccc2nc1CSc1cc(C)c2ccccc2n1 12630845 QZJKNCZDGXVJBG-UHFFFAOYSA-N 331.444 5.087 0 40 EKAB CC[C@H](CNc1ccc(OCCC(C)C)cc1)Oc1ccccc1 19738208 UAHDFFJEJNMFNL-LJQANCHMSA-N 327.468 5.381 0 40 EKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(C)cc1 20458023 REZRFJHXKKPKNH-HTAPYJJXSA-N 347.458 5.183 0 40 EKAB COc1ccc(C)cc1NC(=O)CS[C@@H](C)c1ccccc1Cl 40161379 INXMFAUTFPZALE-ZDUSSCGKSA-N 349.883 5.090 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccnc2ccccc12 83325683 BNYDLWPQJUAKPX-UHFFFAOYSA-N 325.367 5.258 0 40 EKAB Cc1nnc([C@@H](C)Nc2cccc(CSC3CCCCC3)c2)o1 96408705 TWZNFPYOLYQSLR-CYBMUJFWSA-N 331.485 5.117 0 40 EKAB COc1ccc2nc(Nc3ccc(F)c(C(F)(F)F)c3)sc2c1 199716482 WCDPIBSGEXEGMT-UHFFFAOYSA-N 342.317 5.206 0 40 EKAB CCOc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1Cl 225158943 KYMUBLQSFCRVSS-GOSISDBHSA-N 345.870 5.256 0 40 EKAB CC[C@H](CNC(=S)Nc1ccc(C)c(Cl)c1)Cc1ccccc1 225630807 NNGVBTHJGFWYMB-HNNXBMFYSA-N 346.927 5.204 0 40 EKAB C/C=C1/CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253612252 FGSFYZNXYHDZKI-UKBCFEOMSA-N 344.539 5.907 0 40 EKAB CC(C)c1nc(CC2CCCC2)c(C(=O)O)cc1-c1ccccc1F 257325770 WUJDLXSFXZAXPH-UHFFFAOYSA-N 341.426 5.442 0 40 EKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccco1 33722 CZJGMXUGKIQDNL-HSZRJFAPSA-N 345.442 5.415 0 40 EKAB O=C(O)c1cc(-c2ccc(Cc3ccccc3)cc2)nc2ccccc12 137098 BYBNSMMYGCZKET-UHFFFAOYSA-N 339.394 5.191 0 40 EKAB Cc1ccc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 389368 UWLMZSRTFBEWHM-UHFFFAOYSA-N 338.403 5.194 0 40 EKAB biogenic Clc1cc(NCc2c[nH]c3ccccc23)ccc1N1CCCCC1 5729161 CFIGEGYADPBDJV-UHFFFAOYSA-N 339.870 5.424 0 40 EKAB CC(C)c1ccc(-c2csc(NC(=O)CCC3CCCC3)n2)cc1 5913060 OJYNWAYELBRLPM-UHFFFAOYSA-N 342.508 5.842 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 8040886 ZPODLZCVBYPYAI-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB C[C@H](NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 13797735 YEDSNTYJEAXTJT-INIZCTEOSA-N 348.471 5.527 0 40 EKAB COC(=O)c1ccc(N2c3ccccc3Sc3ccccc32)s1 16194255 HBPAPGLZHYFJCI-UHFFFAOYSA-N 339.441 5.469 0 40 EKAB C[C@@H](NC(=O)c1occc1-c1ccccc1)c1ccc2ccccc2c1 31405070 GGWSCIKMNOISDP-MRXNPFEDSA-N 341.410 5.591 0 40 EKAB Cc1cc([C@@H]2CCCCN2Cc2ccccc2)cnc1N1CCCCC1 72219186 OMXNWBBCIYZQFQ-QFIPXVFZSA-N 349.522 5.108 0 40 EKAB CC[C@H](CCSc1ccccc1)NC(=O)c1ccc(Cl)cc1 80344848 QXAOUWCURVPPJH-MRXNPFEDSA-N 333.884 5.031 0 40 EKAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)cc1Cl 223243078 HSVTZJKFRUCMKN-SFHVURJKSA-N 345.870 5.237 0 40 EKAB CCc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1 223876009 JXVCNDWFPLFPED-UHFFFAOYSA-N 331.415 5.223 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)cc(C)c1Cl 224137450 WLWJLCBYEZCYDR-AWEZNQCLSA-N 339.907 5.055 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225700690 WCNZYLUYAVHGSH-OAQYLSRUSA-N 347.499 5.240 0 40 EKAB CCC[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 253499868 QJNGVAWIYOINJU-FIPYWVGQSA-N 346.555 5.375 0 40 EKAB biogenic Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1C 408624255 VCYBMMUIWDEMEA-UHFFFAOYSA-N 343.785 5.608 0 40 EKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 73451 YACQCFCSRCFYLU-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 271352 HPTYKAOZFQMWQX-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB CCCCN(CCCC)C(=N)c1ccc(OCc2ccccc2)cc1 1664761 KZXYORBDWWQWGE-UHFFFAOYSA-N 338.495 5.493 0 40 EKAB CN(C)CCC[C@H]1c2ccccc2Oc2ccc(C(F)(F)F)cc21 2015708 WRNDGAGUUNVEEO-AWEZNQCLSA-N 335.369 5.285 0 40 EKAB in-vitro CCCCc1ccc(NC(=O)c2ccc(Br)cc2)cc1 2023104 PLUSCLNGGSRFSI-UHFFFAOYSA-N 332.241 5.044 0 40 EKAB Cc1ccc(C(C)C)cc1OP1(=O)COc2ccccc2OC1 2227416 SOSHZNWKBCANTG-UHFFFAOYSA-N 332.336 5.162 0 40 EKAB Cc1ccc(Oc2ncnc3sc(C)c(-c4ccccc4)c23)cc1C 3903956 NUTOEKINQSMHQE-UHFFFAOYSA-N 346.455 6.076 0 40 EKAB Cc1cc2nc(SCc3cccc(Cl)c3)nc(C)c2cc1C 4320880 QQCBCXSLUMZGDD-UHFFFAOYSA-N 328.868 5.501 0 40 EKAB CC(=O)OC/C=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 5456980 QGNJRVVDBSJHIZ-OKOKMKEDSA-N 328.496 6.081 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6323393 FIROVVMOYUYTCT-AWNIVKPZSA-N 347.380 5.655 0 40 EKAB Cc1cc(C)cc(N(C(=O)C2CCC2)c2nc3ccccc3s2)c1 6333434 UMNGVWNQWXEMIJ-UHFFFAOYSA-N 336.460 5.378 0 40 EKAB COc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c(OC)c1 7668990 NHNQJVWZSPLIJZ-UHFFFAOYSA-N 341.451 5.203 0 40 EKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 14397730 GMEIOCYBROKYOO-LBPRGKRZSA-N 349.833 5.183 0 40 EKAB Cc1ccc(N2C(=O)[C@@H](C)SC23CCC(C(C)(C)C)CC3)cc1 15226436 PJVWUULMSQJZFS-LSWWBPAMSA-N 331.525 5.396 0 40 EKAB Cc1ccc(C2(C(=O)Nc3ccc(N4CCCC4)cc3)CCCC2)cc1 30822876 GZFLLJBRZXVCNB-UHFFFAOYSA-N 348.490 5.046 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2Cl)c(C)c1 30865570 GYZOEAUDLMNGCK-HNNXBMFYSA-N 347.911 5.067 0 40 EKAB CC/C=C/C/C=C\C/C=C\CCCCCCCCCCCC(=O)O 31261540 WBBQTNCISCKUMU-NSAMXNATSA-N 334.544 7.221 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1 44880463 XSTMCQSCCYGCRX-LJQANCHMSA-N 339.822 5.289 0 40 EKAB Cc1cc(CNc2ccc(Oc3ccccc3)cc2C(F)(F)F)no1 95956004 QAKPJOYOKZJAHA-UHFFFAOYSA-N 348.324 5.406 0 40 EKAB Cc1cccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)c1 96184243 GAJOHBOXCYIBLO-UHFFFAOYSA-N 332.355 5.144 0 40 EKAB CCc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 216913585 GJVLJWQZGNCTJK-UHFFFAOYSA-N 335.632 5.208 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(C)c(C)c1 219657894 RTNGLFXKTGWVFM-LJQANCHMSA-N 341.520 5.685 0 40 EKAB CC[C@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225271397 QLLLKXAYQDAXIH-AWEZNQCLSA-N 330.522 5.064 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1C 225707938 POCJYDBCFRLORB-MRXNPFEDSA-N 342.508 5.138 0 40 EKAB c1ccc(N=c2scc(-c3ccccc3)n2Cc2ccco2)cc1 245238658 XWPYBTBJWJOOAF-UHFFFAOYSA-N 332.428 5.090 0 40 EKAB O=C(O)c1cccc2ccc3c(c12)Nc1ccc2ccccc2c1S3 1602282 PYPSXEOELQKZIA-UHFFFAOYSA-N 343.407 5.899 0 40 EKAB CC[C@@H](c1ccc2oc(C)cc2c1)[C@@H](CC)c1ccc2oc(C)cc2c1 1677716 FFXGBNWZSHUVCL-VXKWHMMOSA-N 346.470 7.483 0 40 EKAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c(Cl)cc(Cl)cc12 2576843 AOLOIXQUTZWGFL-UHFFFAOYSA-N 339.605 5.729 0 40 EKAB biogenic O=C(Nc1cccc(Cl)c1)N1c2ccccc2C=Cc2ccccc21 5903803 DYWALHIMLXQSDS-UHFFFAOYSA-N 346.817 6.194 0 40 EKAB CC(C)COc1ccc(C(=S)N2CCCCC2)c2ccccc12 6326985 KCRIASKXWBLYKU-UHFFFAOYSA-N 327.493 5.036 0 40 EKAB Fc1ccc(CNc2nc(-c3ccccc3)c3ccccc3n2)cc1 6585120 XQQTXGYPCIDFAZ-UHFFFAOYSA-N 329.378 5.048 0 40 EKAB COC(=O)c1ccc(-c2ccc(CNC(C)(C)CC(C)(C)C)o2)cc1 6857405 MDIKKMMENISDBG-UHFFFAOYSA-N 343.467 5.038 0 40 EKAB O=c1[nH]c(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)nc2ccccc12 6909550 JZDRHJKQZVHSAS-ZRDIBKRKSA-N 348.789 5.007 0 40 EKAB Clc1cccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)c1 7524806 QHAVJUVOYGSFGC-UHFFFAOYSA-N 341.882 5.514 0 40 EKAB CCCCC(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl 9141065 VZWCFNDVVVRSEJ-UHFFFAOYSA-N 342.826 5.585 0 40 EKAB COc1cc2c(cc1NC(=O)Cc1ccccc1C)oc1ccccc12 12998680 OHYLNONBZPYBIZ-UHFFFAOYSA-N 345.398 5.084 0 40 EKAB Cc1c([C@H]2c3ccccc3C(=O)N2CCC(C)C)c2ccccc2n1C 13942391 SGGYBOWIHCQUST-JOCHJYFZSA-N 346.474 5.078 0 40 EKAB CN(C(=O)c1ccccc1)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835491 JIJIDIJAEFPBLN-HXUWFJFHSA-N 346.455 5.091 0 40 EKAB CC(=O)c1cccc(OCc2csc(-c3ccccc3Cl)n2)c1 22136077 WCQQVSPAHIGISY-UHFFFAOYSA-N 343.835 5.245 0 40 EKAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2[nH]c3ccccc3c2c1 44781917 VCAWANFEABYDSJ-NRFANRHFSA-N 344.414 5.117 0 40 EKAB COc1cccc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)c1 73739934 IOGUGBTUHKQGKI-UHFFFAOYSA-N 334.806 5.355 0 40 EKAB CN(Cc1cc(-c2cccs2)on1)Cc1cccc2ccccc12 83864200 GIARVPQKFVCNDX-UHFFFAOYSA-N 334.444 5.188 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)c1 113941176 IBZZQQMGWNYQIL-MRXNPFEDSA-N 343.426 5.694 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225623991 XULMSRQQDXAQLW-OXQOHEQNSA-N 335.488 5.096 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225705769 ZFQKDRWAJPOYJC-GOSISDBHSA-N 341.879 5.053 0 40 EKAB COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@]12C 229903602 TWPKVIVCLJTFPY-RCOXNQKVSA-N 334.500 5.040 0 40 EKAB biogenic,in-vitro CC(C)c1c(C2CC2)[nH]c2ccc(OCc3ccccc3)cc2c1=O 685938000 ALZOYRCXZLJNIW-UHFFFAOYSA-N 333.431 5.108 0 40 EKAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccccc3CC)c2c1 144316 DMMUCVATSOOFNR-UHFFFAOYSA-N 334.419 5.026 0 40 EKAB c1ccc(-c2nc(-c3ccc4c(c3)OCO4)[nH]c2-c2ccccc2)cc1 341923 UVLQSZPWZTUDFR-UHFFFAOYSA-N 340.382 5.139 0 40 EKAB C[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 1532186 IFFPICMESYHZPQ-HXUWFJFHSA-N 329.487 5.429 0 40 EKAB biogenic,in-man Cc1ccc(-c2cc3ccccc3nc2Sc2ccc(F)cc2)cc1 3049443 IHEMCDCBNSLFGV-UHFFFAOYSA-N 345.442 6.501 0 40 EKAB CCC[C@H](C(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 3330054 HCBAWFJAUCXNDZ-SFHVURJKSA-N 339.479 5.515 0 40 EKAB Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(Cl)c1Cl 3398606 CLHXONGQVILVSQ-UHFFFAOYSA-N 343.641 5.006 0 40 EKAB CC(=O)c1cccc(NC(=O)c2sccc2-c2ccc(C)cc2)c1 5404633 WRVDLFAFSPNESV-UHFFFAOYSA-N 335.428 5.178 0 40 EKAB c1ccc(-c2nnc(NC3CCCCCCC3)c3ccccc23)cc1 6086029 DUFOZQMVVGHFGB-UHFFFAOYSA-N 331.463 5.822 0 40 EKAB CCC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 6558260 JXFYMYQFHIKWOK-MRXNPFEDSA-N 337.341 5.108 0 40 EKAB Cc1csc(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)n1 7195944 HRAXTHDPEXXVPE-CYBMUJFWSA-N 334.510 5.003 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2ccccc2c1 7684128 WIQGQMQXDCNPFP-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB CC(C)Oc1cccc(NC(=O)c2ccccc2SC(C)C)c1 8479913 ZNYVGDCKENVLQG-UHFFFAOYSA-N 329.465 5.227 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1 14923172 AZUOJYHOAWIVLM-YHYVQYDKSA-N 336.475 5.971 0 40 EKAB biogenic O=C(Nc1ccc(Oc2ccncc2)cc1)c1cccc2ccccc12 65023886 NRKWOMMIPVNDMH-UHFFFAOYSA-N 340.382 5.279 0 40 EKAB CC[C@H](c1ccc(OC)cc1)[C@H](CC)[C@@H](C)c1ccc(OC)cc1 77272388 HRTJXPLKDGPKLQ-KNXBSLHKSA-N 326.480 6.027 0 40 EKAB in-vitro O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1c1ccccc1 84559959 RXMCSBQKVSTLFF-UHFFFAOYSA-N 336.394 5.062 0 40 EKAB CC(C)CCC[C@@H](C)CCCCCCCCCOC(=O)C(C)C 90733604 WEUUVFYXSHQOIT-FQEVSTJZSA-N 326.565 6.769 0 40 EKAB CCOCc1cc(C(=O)Nc2cccc3ccccc23)ccc1OCC 224694352 MLNABZNFRSKHJH-UHFFFAOYSA-N 349.430 5.027 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(F)c(F)c2)C(C)C)c(C)c1 225765132 LZMJOKHLCDQMFX-SFHVURJKSA-N 348.462 5.265 0 40 EKAB COc1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1 409136433 UPEGJLWMWMBXBS-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB CC(C)C(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 193685 PPVZFEYYFXCNHI-UHFFFAOYSA-N 338.432 5.197 0 40 EKAB Cc1cc(Sc2ccc(Br)cc2)c2ccccc2n1 338802 OJEFZZYDVLDPGU-UHFFFAOYSA-N 330.250 5.457 0 40 EKAB Cc1ccc(C)c(Nc2nc(-c3ccccn3)nc3ccccc23)c1 521923 VCYQCIPFOYBWIE-UHFFFAOYSA-N 326.403 5.052 0 40 EKAB Fc1ccc([C@@H](CCN2CC3CCC(CC3)C2)c2ccccc2)cc1 1615797 AYZADYBJJUWYON-XWEVFREBSA-N 337.482 5.470 0 40 EKAB Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3c2cc1Cl 2567229 SBMIVUVRFPGOEB-UHFFFAOYSA-N 340.420 6.853 0 40 EKAB biogenic,in-vitro CCCc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1 3325552 FHLUINLEPSQGRZ-UHFFFAOYSA-N 342.489 5.005 0 40 EKAB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccccc3OCc3ccccc3)[C@@H]1[C@@H]2C 4184261 DUWXMXJIRAGQTJ-SRIDNHHFSA-N 348.486 5.801 0 40 EKAB Cc1ccccc1-c1nnc(S[C@H](C)c2ccccc2Cl)n1C 5210156 NBUPXHHCORCRBD-CYBMUJFWSA-N 343.883 5.297 0 40 EKAB CCCCc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 6043140 ILQYNKVLWRPOMN-SFQUDFHCSA-N 335.491 5.979 0 40 EKAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccccc3C(C)C)sc2n1 10510677 BRRZMONQXYYODY-UHFFFAOYSA-N 338.476 5.597 0 40 EKAB O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCCCC1 13716905 SVGCZHWLKDWOKM-UHFFFAOYSA-N 325.477 5.498 0 40 EKAB Clc1ccc(COc2cccc(CNC3CCCCC3)c2)cc1 16399536 YYFMGEBNBXPFQA-UHFFFAOYSA-N 329.871 5.341 0 40 EKAB Cc1cccc(-c2nn(-c3ccccc3)c(-c3cccc(C)c3)c2C)c1 17071032 VHKJZQPEXBLYNZ-UHFFFAOYSA-N 338.454 6.132 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)cc1 18177857 QULQSMNYXNVUMT-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(C(C)C)cc3)no2)cc1C 20896706 URMFYLIXLGTXIE-UHFFFAOYSA-N 335.403 5.301 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(C)cc1 22527741 VXUPCRYDJGMQRK-UWJYYQICSA-N 347.458 5.183 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 30753952 ZUWUNPUYLBCMNM-NRFANRHFSA-N 339.479 5.442 0 40 EKAB COc1ccc2cc(C(=O)c3ccc(-c4ccccc4)cc3)ccc2c1 95917119 JIQRPKREMPMBRW-UHFFFAOYSA-N 338.406 5.746 0 40 EKAB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914672 IECWTSWUVZMVIW-NQQYONMLSA-N 344.583 6.220 0 40 EKAB Fc1cccc(Cl)c1-c1cc2cc(Br)ccc2o1 216944336 KKWBMNHCYYBMHA-UHFFFAOYSA-N 325.564 5.655 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223401777 XPTQHWCMDGYJNN-MSOLQXFVSA-N 341.520 5.278 0 40 EKAB Cc1ccc(SCCCNC(=S)Nc2cc(C)cc(C)c2)cc1 225586476 WONNHWOWOUOUBY-UHFFFAOYSA-N 344.549 5.081 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225704936 GFTQPRVHAANLSG-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(C)c(C)c1 225709172 QUJREMUTKQPODS-GOSISDBHSA-N 326.509 5.358 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12 225827954 PYUNNXNFHDHIDU-NRFANRHFSA-N 343.467 5.162 0 40 EKAB O=C(c1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 259076 SRHONONZTGHYMA-UHFFFAOYSA-N 348.273 5.088 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc([C@H](C)CC)cc1 505780 AKVNYOCCIHAZPA-SJORKVTESA-N 339.479 5.731 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1cccc(Cl)c1 1909215 DBYOVEIPQCLGSZ-VAWYXSNFSA-N 341.882 6.239 0 40 EKAB CSc1ccc(CCC(=O)c2ccc(Cl)cc2Cl)cc1 2516681 WXOZWCWJLXERML-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB CCc1ccccc1Nc1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 3457029 DBFHYFROTJDLMK-GFCCVEGCSA-N 337.492 5.431 0 40 EKAB FC[C@H]1CCCN(C2(c3cc4ccccc4s3)CCCCC2)C1 3651131 YFHOQGMMEMFUAQ-MRXNPFEDSA-N 331.500 5.742 0 40 EKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1c(F)cccc1Cl 5244885 IERXOHWXXZXFJW-UHFFFAOYSA-N 346.833 5.112 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccccc2)c2ccccc2)c1 6623567 FMNMIWQTGJJTTB-NRFANRHFSA-N 330.431 5.095 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1OC 6880737 GBLJDNFITDDSDI-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 14256377 HCBNJUBRBDFSNT-UHFFFAOYSA-N 345.508 5.082 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1Cl 15011000 YIOHNVPSIMOFMD-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2ccccc21 15275867 ZICGITHVXPDMEN-UGSOOPFHSA-N 345.895 5.014 0 40 EKAB Cc1ccccc1CSc1nccn2nc(-c3ccc(F)cc3)cc12 23126578 UPEIUBYVXLUQSO-UHFFFAOYSA-N 349.434 5.136 0 40 EKAB O=C(CSCc1ccccc1F)Nc1cc(Cl)ccc1Cl 23410865 HAHIDLOLKCEPTI-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB CSCc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1 36318334 FSIHQNLXXMOGRA-UHFFFAOYSA-N 339.432 5.117 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)ccc1Cl 58837591 ALHVKDOXIXRVKU-HNNXBMFYSA-N 345.870 5.486 0 40 EKAB Cc1ccc(-n2c(-c3cccc(N)c3)nc3ccccc32)cc1Cl 73740052 DCLPZINHLSFVDJ-UHFFFAOYSA-N 333.822 5.237 0 40 EKAB FC(F)C(F)(F)Oc1cccc(-c2ccc(Br)cc2)c1 95740179 HUEVSMAMDIQVJM-UHFFFAOYSA-N 349.121 5.353 0 40 EKAB CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl 106979728 BVVFSNSPKOUPGA-UHFFFAOYSA-N 330.642 5.658 0 40 EKAB C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C(C)(C)C)cc1 225229412 LVMSEXZUOHPQTG-GOSISDBHSA-N 349.518 5.673 0 40 EKAB COc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225514110 CTMGMTSKMOSMPL-UHFFFAOYSA-N 337.463 5.071 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c2ccccc12 225803291 YMQDASVIBSFJMG-NRFANRHFSA-N 343.467 5.162 0 40 EKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 245295379 DMOLYKQEFOZAPA-ULAMTYHHSA-N 347.458 5.160 0 40 EKAB CCOc1ccc2ccccc2c1CNc1cccc(Cl)c1C 409113924 JNVXJEAFBUXZOF-UHFFFAOYSA-N 325.839 5.812 0 40 EKAB COc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1 180465 TVNIOZBJOAPHIU-UHFFFAOYSA-N 327.387 5.049 0 40 EKAB O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)c1ccc(F)cc1 1400394 TUCLJLLKQCSXBM-UHFFFAOYSA-N 341.382 5.368 0 40 EKAB C[C@@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 7524687 KJGPUONUIWDZEC-CYBMUJFWSA-N 346.257 6.104 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1c(Cl)cccc1Cl 8492788 WCXZFJSDKTZNAF-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1-c1ccccc1 8496258 SXWTVGKUHLXTTC-QFIPXVFZSA-N 345.442 5.458 0 40 EKAB CCc1ccc2occ(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 16752755 GEOQVBQFNDKYAV-UHFFFAOYSA-N 347.336 5.195 0 40 EKAB CC[C@@H](C)c1ccccc1O[C@@H](C)CNc1ccccc1C(C)C 19738331 RNQMXCHCUOTDIA-MSOLQXFVSA-N 325.496 6.203 0 40 EKAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(C)cc1 20040696 JDVKTSMKAXXUGB-KBXCAEBGSA-N 347.911 5.397 0 40 EKAB c1ccc(COc2cccc(CNC34CC5CC(CC(C5)C3)C4)c2)cc1 22073742 LSLMCYMGGGOBNO-UHFFFAOYSA-N 347.502 5.324 0 40 EKAB CN(C(=O)c1ccc(F)cc1F)c1ccc(Oc2ccccc2)cc1 58061370 DRSOIUWXOJLMFH-UHFFFAOYSA-N 339.341 5.034 0 40 EKAB C1=C[C@H]2[C@H]1C1(Cc3ccccc3)N=NC2(Cc2ccccc2)[C@@H]2C=C[C@H]21 100970621 OVPRGOYKNGAKIF-QVGYUHCVSA-N 338.454 5.033 0 40 EKAB CC(=O)N1c2ccccc2N=C2C[C@H](C)CC(O)=C2[C@H]1c1ccccc1 102602375 YPFASWIRGYSHAH-RCDICMHDSA-N 346.430 5.109 0 40 EKAB CC[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(C)c(C)c1 220019676 XJLJWRBQRMMDKA-LJQANCHMSA-N 329.871 5.157 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)NC1CCCCCCC1 225357771 IIMZWFOILFKASB-UHFFFAOYSA-N 328.283 5.155 0 40 EKAB O=C(NCc1cc(-c2ccsc2)cs1)c1ccc(Cl)s1 1889065077 QMMUTOGCQDUAIX-UHFFFAOYSA-N 339.894 5.122 0 40 EKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1C 64312 ONOHPPVIJYOXGF-OAQYLSRUSA-N 328.415 5.075 0 40 EKAB O=C(c1cn(Cc2ccccc2F)c2ccccc12)C1CCCCC1 561034 OEIGAISTKSDCOJ-UHFFFAOYSA-N 335.422 5.592 0 40 EKAB CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(-c2ccccc2)cc1 1670152 CGWADWORZKHRCQ-BJKOFHAPSA-N 330.471 6.747 0 40 EKAB Cc1ccc(-c2csc3ncnc(Nc4ccc(C)c(C)c4)c23)cc1 1895279 GLRACZLWRDQWCJ-UHFFFAOYSA-N 345.471 6.027 0 40 EKAB Cc1cc2oc(=O)cc(-c3oc4ccc(F)cc4c3C)c2cc1Cl 2215434 JQHBZLQVMWRKAM-UHFFFAOYSA-N 342.753 5.616 0 40 EKAB biogenic Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1Cl 2260668 KIKRCWLXWWEFCW-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 3898204 ASLZZOXRDKHSFQ-JOCHJYFZSA-N 346.405 5.190 0 40 EKAB CCCn1c2ccccc2n2cc(C34CC5CC(CC(C5)C3)C4)nc12 4114765 KDWJTGMNIVAJTQ-UHFFFAOYSA-N 333.479 5.167 0 40 EKAB O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1-c1ccccc1 7407008 SAORFFYYKRBCFV-UHFFFAOYSA-N 339.341 5.207 0 40 EKAB Cc1oc2cc(Nc3ccccc3F)ccc2c(=O)c1-c1ccccc1 11868161 KDNJAZAKKIDHLZ-UHFFFAOYSA-N 345.373 5.651 0 40 EKAB biogenic Cc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1F 13736902 XDJJPRVSJHAFHV-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCCOc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 16752481 TWRLDIKUQRKROW-UHFFFAOYSA-N 329.852 5.919 0 40 EKAB Cc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1C 17067005 HRJLFDRVTDRIHZ-UHFFFAOYSA-N 327.378 5.067 0 40 EKAB CC[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CC)c1ccc([N+](=O)[O-])cc1 37625933 ZNSZYNXUMJNBMA-ROUUACIJSA-N 328.368 5.190 0 40 EKAB Fc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101225629 SFAZWHJCZNRSHN-FPOVZHCZSA-N 343.405 5.322 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C 223399262 NQQALHDSQQAGJW-ROUUACIJSA-N 341.520 5.111 0 40 EKAB CC(C)c1ccc(CCCNC(=S)Nc2c(F)cccc2F)cc1 225806986 NATBQEHTALXTKF-UHFFFAOYSA-N 348.462 5.007 0 40 EKAB COc1ccc([C@@H]2C=C3c4ccccc4C(=O)N3C3=C2CCCC3)cc1 507484 XNHBSJVXEZJSKU-FQEVSTJZSA-N 343.426 5.117 0 40 EKAB CCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1 932625 WKWGMYGGOKDALO-UHFFFAOYSA-N 342.851 5.130 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 1471483 IUOHZHIOXURHGC-UHFFFAOYSA-N 348.273 5.088 0 40 EKAB CC1(C)Nc2ccccc2-c2c1ss/c2=N\C1CCCCC1 2831594 BSXJDEIJBJBKOK-ZPHPHTNESA-N 330.522 5.371 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6477501 LVVQTHADIXQNCO-GFCCVEGCSA-N 339.382 5.133 0 40 EKAB CCSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 6784849 DZSMSTBASPYNLV-UHFFFAOYSA-N 339.445 5.125 0 40 EKAB CC[C@@H]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3F)c2C1 12633969 NIGQWFKZYNXKFL-CYBMUJFWSA-N 339.841 6.209 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21OCCS1 13399570 JIFTUOBNCNREQG-NBUKQQEXSA-N 348.552 5.058 0 40 EKAB biogenic CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C 20457615 AROHCGJVYUCJBE-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB O[C@@H](CN(Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1 31923782 ORLHMXYPJWTLGW-NRFANRHFSA-N 343.898 5.208 0 40 EKAB CC/C=C\c1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 34688517 ANAMDWGJXBYJEB-XWYPVUJRSA-N 326.480 5.032 0 40 EKAB CCOc1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 44904138 CTWZYSDUPHPJJY-KRWDZBQOSA-N 349.883 5.248 0 40 EKAB C[C@H]1CCCCN1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 216841237 UUTATZYETGBNCA-AWEZNQCLSA-N 340.854 5.523 0 40 EKAB Cc1ccc(CC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 224239748 CYHCYGPVUZHMNM-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547133 PIWVOBMTUOELBL-UHFFFAOYSA-N 341.426 5.065 0 40 EKAB Cc1ccc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1C 225586740 WDAGHANIBBSKFC-HXUWFJFHSA-N 349.474 5.260 0 40 EKAB CC[C@H](c1ccc(F)cc1)c1nnc([C@H](CC)c2ccc(F)cc2)o1 1614625578 WHWFKUKSWPBQOQ-QZTJIDSGSA-N 342.389 5.432 0 40 EKAB Cc1nc2cc(NCc3cccs3)ccc2n1Cc1ccccc1 550498 SGZMVWRXMLKLMP-UHFFFAOYSA-N 333.460 5.067 0 40 EKAB Cc1ccc(-c2cc(-c3cc(-c4ccc(C)cc4C)[nH]n3)[nH]n2)c(C)c1 1413558 XJIUXIJADCKFIU-UHFFFAOYSA-N 342.446 5.367 0 40 EKAB Cc1ccc(/C(=C/CN2CC3CCC(CC3)C2)c2ccccc2)cc1 1615795 AJIOVTVUJXMFQG-BUVRLJJBSA-N 331.503 5.549 0 40 EKAB CC[C@](C)(CCNC(=O)C[C@@H](c1ccco1)C(C)C)c1ccccc1 2397907 IGOWIPYHANCEJJ-DENIHFKCSA-N 341.495 5.284 0 40 EKAB Cc1ccc(CCC(=O)c2ccc(Br)cc2F)c(C)c1 2517506 GOQREEFHZSJUFS-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB CCc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)oc1C 5033288 PPMFSIIRKYWQPK-UHFFFAOYSA-N 339.822 5.723 0 40 EKAB Cc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1C 5589097 JJAVLXVIILNZED-UHFFFAOYSA-N 326.403 5.052 0 40 EKAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)ccc1C(C)C 5697794 XXQUHEGARPYGOG-UHFFFAOYSA-N 331.843 5.098 0 40 EKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1 6306456 XGTQORIUTLZFFN-UHFFFAOYSA-N 349.861 5.292 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1-c1ccccc1 8495261 HEQJATYZOHIOSK-UHFFFAOYSA-N 347.483 6.106 0 40 EKAB CCN(CC)c1ccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)cc1 15859135 LOWFJIMGNRQBHE-UHFFFAOYSA-N 346.478 5.350 0 40 EKAB O=C(CSc1ccc(-c2cccs2)o1)Nc1cccc(Cl)c1 35682627 CWAPTPXZWBGHPP-UHFFFAOYSA-N 349.864 5.392 0 40 EKAB Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(C)n1C1CC1 60915041 HVJVSPYEWFDCTM-UHFFFAOYSA-N 344.458 5.283 0 40 EKAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCCN1Cc1ccccc1 72219247 PLJHCCIQFVNHBP-JOCHJYFZSA-N 349.522 5.108 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C1 100744265 JLMIEJPAIDUIPY-WKZPIUISSA-N 344.326 5.005 0 40 EKAB biogenic c1csc([C@H]2Oc3ccccc3[C@H]3CC(c4ccsc4)=NN32)c1 106922049 WRYCJOOXAGIEIG-CRAIPNDOSA-N 338.457 5.052 0 40 EKAB C[C@@H](CCCO)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914670 IECWTSWUVZMVIW-AFGCANKYSA-N 344.583 6.220 0 40 EKAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 223088130 CLCSYGATMHAJJU-HNNXBMFYSA-N 335.834 5.498 0 40 EKAB CCOc1ccccc1NC(=S)N[C@@H](c1ccccc1C)C(C)C 225760183 ZJHRDLZPIIAKFW-LJQANCHMSA-N 342.508 5.077 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)COc1cccc2ccccc12 568895 BTJBLLATPOQKDS-MRXNPFEDSA-N 333.431 5.371 0 40 EKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 1511994 QIQSZSWBHSSIFV-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB CCN(CC)CCCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 2042668 MXGGYCYYCOWYGB-OAHLLOKOSA-N 333.907 5.201 0 40 EKAB C[C@H](NC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1 3453505 KEWQXEHPIJOSCG-INIZCTEOSA-N 339.504 5.207 0 40 EKAB Cc1cc(C)c(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)cc1C 4153318 ZPRHWSSBNDVNHQ-NRFANRHFSA-N 330.431 5.561 0 40 EKAB O=C(Nc1c[nH]c2ccccc12)NC(c1ccccc1)c1ccccc1 5299892 KKGSGPXEKGTXTN-UHFFFAOYSA-N 341.414 5.079 0 40 EKAB CCOc1ccccc1NC(=O)c1sc2cc(C)ccc2c1Cl 6048661 ZEOAEBFMTQMZJX-UHFFFAOYSA-N 345.851 5.514 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 8382826 JRSSTMYBDHJCTB-KGLIPLIRSA-N 331.843 5.260 0 40 EKAB C[C@@]12CC3CC(NC(=O)Nc4cccc5ccccc45)(C1)C[C@](C)(C3)C2 16605659 NBLJRYLEFRRPAT-QLOAFGCXSA-N 348.490 5.710 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 20459982 IBRLICOWUXUWLF-IBGZPJMESA-N 343.470 5.271 0 40 EKAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(C(C)(C)C)C1 54387971 BYMQBQPATLMWTH-UHFFFAOYSA-N 337.419 5.047 0 40 EKAB Cc1ccc2[nH]c(=O)c(CNc3ccc(C4CCCCC4)cc3)cc2c1 57710083 QOHFSXYRMWZGDX-UHFFFAOYSA-N 346.474 5.496 0 40 EKAB c1cnc2c(CN3CCC[C@H]3c3nc4ccccc4s3)cccc2c1 57856134 WMTHLLMSQTWKOI-SFHVURJKSA-N 345.471 5.182 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2ccccc2Br)c1 71760739 GLEXQEPPTKSDKK-UHFFFAOYSA-N 349.297 5.381 0 40 EKAB O=C(CCc1ccc2ccccc2c1)Nc1ccc2scnc2c1 85436335 JTSXGLSZBAVXAW-UHFFFAOYSA-N 332.428 5.021 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CC[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 100366357 QMOPYIPYDKCJRB-FVZVSQOCSA-N 330.512 5.049 0 40 EKAB C/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915070 SKSOMRHTXHIGIB-QJMYCWEPSA-N 342.523 5.827 0 40 EKAB CCC(=O)[C@H]1[C@H](OC)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118924652 APPBLCHOWOIYLW-PJPXKQQPSA-N 346.555 5.639 0 40 EKAB CC[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(C)c(C)c1 220019758 XJLJWRBQRMMDKA-IBGZPJMESA-N 329.871 5.157 0 40 EKAB CC(C)C[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccccc1 222676063 OKMNRUSHQQWEFX-HSZRJFAPSA-N 345.486 5.676 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C 223402361 APDGOBGVLLTXCF-LJQANCHMSA-N 343.470 5.770 0 40 EKAB CCCCCc1ccc(-c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 245204420 AYMDOUONESPFKB-AFARHQOCSA-N 348.574 8.160 0 40 EKAB CCC(CC)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359170 UREFCQOHSHLKBG-UHFFFAOYSA-N 343.470 6.775 0 40 EKAB C[C@](O)(c1ccc2ccccc2c1)[C@@H](c1ccccc1)c1ccccn1 1668781 VPKHAMVDQIMTFS-ZEQRLZLVSA-N 339.438 5.274 0 40 EKAB OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(F)Cl 1675471 WXNCQOJSKULQNT-UHFFFAOYSA-N 337.580 5.061 0 40 EKAB Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1 2347627 LTZNKXAPJRUCOK-VQTJNVASSA-N 339.797 5.709 0 40 EKAB Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 2347630 LTZNKXAPJRUCOK-WOJBJXKFSA-N 339.797 5.709 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 2517773 HOHJDVXGGVEKQL-UHFFFAOYSA-N 331.601 5.601 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1ccccc1Oc1ccccc1F 3186159 KZSRXLSINHKRLZ-CCEZHUSRSA-N 333.362 5.270 0 40 EKAB CCOc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 3194677 RQPINFFXLGNJAB-GOSISDBHSA-N 331.843 5.117 0 40 EKAB O=c1[nH]c2c(oc3ccccc32)c(-c2ccccc2)c1-c1ccccc1 4094922 YKDSFUJANXKEAR-UHFFFAOYSA-N 337.378 5.608 0 40 EKAB c1ccc(-c2ccc(CSc3nncn3-c3ccccc3)cc2)cc1 6831407 BGIXPIVPKJXIPI-UHFFFAOYSA-N 343.455 5.227 0 40 EKAB CCOc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccccc1 8254055 NATZZFTYEASNLW-UHFFFAOYSA-N 347.886 5.206 0 40 EKAB Cn1c(-c2ccccc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 12523697 INRFCBCLFUTECF-UHFFFAOYSA-N 349.437 5.674 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708499 XAUIGYMQCHQIRW-MRXNPFEDSA-N 333.431 5.117 0 40 EKAB CCn1c2ccccc2c2cc(CN[C@@H](C)c3ccccn3)ccc21 25358999 YYOFEZBGVTWQDK-INIZCTEOSA-N 329.447 5.060 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1 30756883 GFDNDVILRIKFGG-HXUWFJFHSA-N 325.452 5.223 0 40 EKAB CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 44087663 YFXWCADVCHEMTG-UHFFFAOYSA-N 334.366 5.280 0 40 EKAB CCCN(Cc1c(C)noc1C)[C@H](C)c1ccc(Cl)c(Cl)c1 59350330 SJVHLEUVLBFWMN-GFCCVEGCSA-N 341.282 5.571 0 40 EKAB O=C(c1cc(Br)ccc1Cl)c1cccc2ccccc12 79904030 GXOJTUYIFAEKQS-UHFFFAOYSA-N 345.623 5.487 0 40 EKAB FC(F)(F)c1cnc(/C=C/Nc2ccc(Cl)cc2)c(Cl)c1 100408341 HQPCQMXQBCXICW-AATRIKPKSA-N 333.140 5.490 0 40 EKAB C[C@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 216790307 GHABUJYCKRGMHW-GASCZTMLSA-N 338.426 5.112 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 225366875 LBUQBONPBHBZTG-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB O=[N+]([O-])/C=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409064731 DXFAVMVGNPRKBF-VAWYXSNFSA-N 328.371 5.090 0 40 EKAB CC(C)c1c(-c2ccccc2)[nH]c2cccc(Br)c2c1=O 685938548 NVKBVYAJVXVPIG-UHFFFAOYSA-N 342.236 5.081 0 40 EKAB Oc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 148614 IDPJOCWIDNDQPM-FCDQGJHFSA-N 347.801 5.691 0 40 EKAB CC1=CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2ccccc21 169655 NPNKLLHDOPJDEH-UHFFFAOYSA-N 326.827 5.574 0 40 EKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl 2448867 FVTPJTVBPLRGDE-UHFFFAOYSA-N 347.846 5.050 0 40 EKAB Cc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Cl)cc32)cc1 4129983 ITOXFGDBUORBLM-UHFFFAOYSA-N 345.833 5.082 0 40 EKAB Fc1ccc(-c2cc(-c3cccc(F)c3)nc(-c3ccncc3)n2)cc1 4722742 DCZKTAVIUMODOX-UHFFFAOYSA-N 345.352 5.151 0 40 EKAB CCOc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 4836962 HRNXWJXVTBWBRC-QHCPKHFHSA-N 342.442 5.441 0 40 EKAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(C(C)(C)C)c1 5542200 RDSZJUCOPRABHP-UHFFFAOYSA-N 345.870 5.272 0 40 EKAB c1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccccc3)=NN2)cc1 6111518 XTARSJJVBCHEQU-UHFFFAOYSA-N 347.421 5.274 0 40 EKAB Cc1nc(SCc2nc3ccccc3o2)n(C2CCCC2)c1C 8013035 XUFJFIFKXTWVKB-UHFFFAOYSA-N 327.453 5.049 0 40 EKAB Cc1csc(NC(=O)c2cc3sc4ccccc4c3s2)n1 10555335 KERONVMXOBWGIO-UHFFFAOYSA-N 330.459 5.133 0 40 EKAB CC(C)(C)c1ccccc1NC(=O)c1occc1COc1ccccc1 11429743 WWTFESGFNGKLSE-UHFFFAOYSA-N 349.430 5.408 0 40 EKAB c1ccc(-n2nc3c(c2-c2ccncc2)CCCc2ccccc2-3)cc1 13283820 ZEPPQEHKMNYPQR-UHFFFAOYSA-N 337.426 5.090 0 40 EKAB C[C@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1 35288749 YDKPHNVMKDQZSQ-BTYIYWSLSA-N 344.414 5.036 0 40 EKAB CC[C@H](C)N1C(=O)CC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 85430327 YAUWRDYQOFEPPN-KXBFYZLASA-N 332.447 5.297 0 40 EKAB C1C[C@@H]2C[C@H]1[C@@H]1SC(=C3S[C@@H]4[C@@H]5CC[C@H](C5)[C@H]4S3)S[C@@H]12 104258043 AXKZAQWXUQRLEU-GZRWUIRVSA-N 340.604 5.407 0 40 EKAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225791804 CWQVPMKLYAUSEL-MRXNPFEDSA-N 337.463 5.095 0 40 EKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(Cl)c1 227157470 COVQVYNCGHALJT-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB Fc1cccc(COc2ccc(Cl)cc2CNc2ccccc2)c1 409112351 BOTYWJPDUKCHGP-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 65038 ULNISCUYEQNWHA-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB aggregator CSc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1 552335 CJUQLYNFKFDTFY-UHFFFAOYSA-N 348.496 6.194 0 40 EKAB CCOP(=O)(Cc1ccc(-c2nc3ccccc3o2)cc1)OCC 1568345 ISPFTJXAQGZXKA-UHFFFAOYSA-N 345.335 5.261 0 40 EKAB Fc1ccccc1-c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1 2232125 HBRCUKLHJXARBR-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(C)CC2)cc1 4282016 RLBDOZURNPDPPC-VSZUSUSQSA-N 346.474 5.445 0 40 EKAB CC(=O)Nc1ccc(CN[C@H](c2ccc(C(C)C)cc2)C(C)C)cc1 8880148 XWIDAUZAKYXZPF-QFIPXVFZSA-N 338.495 5.255 0 40 EKAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c(Cl)c1 12789426 TXIKUDOAQIITKC-UHFFFAOYSA-N 336.822 5.326 0 40 EKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccccc1)c1ccccc1 19932371 DFSHYCINQZXTRU-FQEVSTJZSA-N 332.472 5.071 0 40 EKAB CN(C(=O)CSCc1c(Cl)cccc1Cl)C1CCCCC1 20111646 YAUATAAUOOJFBY-UHFFFAOYSA-N 346.323 5.018 0 40 EKAB CC(C)(C)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 40239234 LKCVBXUKGBMRGY-UHFFFAOYSA-N 328.843 5.066 0 40 EKAB CCCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC)CC[C@H]12 45108154 IUWKNLFTJBHTSD-OQEHDIDLSA-N 328.496 5.347 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1CS[C@H](C)C(=O)NC(C)(C)C 58026797 HSLZBLVFKCWJMU-OAHLLOKOSA-N 335.557 5.137 0 40 EKAB CN(C)c1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)cc1 67321891 FTPGJTBVMZRBAS-UHFFFAOYSA-N 329.856 5.273 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(F)c(F)c1F 95917331 YDNYYPULYQBQFY-UHFFFAOYSA-N 328.289 5.127 0 40 EKAB CCCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl 106976136 ISGFPUTXIMXJKK-UHFFFAOYSA-N 344.669 6.048 0 40 EKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 210199637 KSTOZNKCSSQEGM-YXAWYSDKSA-N 341.819 5.137 0 40 EKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Cl 225801201 BFVIMDWQXVUKTE-IBGZPJMESA-N 343.854 5.015 0 40 EKAB CCOP(=O)(OCC)/C(F)=C\c1ccc(C(F)(F)F)cc1 306145740 OWXSMRQYRSKYLV-XFXZXTDPSA-N 326.226 5.239 0 40 EKAB C=CC(=O)N1c2cc(C)c(C)cc2-c2c(ssc2=S)C1(C)C 80252 CUSMLHVLNXWILC-UHFFFAOYSA-N 347.530 5.591 0 40 EKAB Fc1ccc(Cn2nc(-c3ccccc3)c3oc4ccccc4c32)cc1 480062 AFOCFGTWUIUQIB-UHFFFAOYSA-N 342.373 5.637 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1ccc(C(F)(F)F)cc1 2517765 NKIMJTQHEUJYMG-UHFFFAOYSA-N 330.708 5.313 0 40 EKAB c1cc2c3c(cccc3c1)-c1nc3c(nc1-2)-c1cccc2cccc-3c12 2784298 OXEGHEYDPLHDRS-UHFFFAOYSA-N 328.374 6.078 0 40 EKAB CC[C@H]1CCCCN1C(=O)c1cc2sc3ccccc3c2s1 3183990 KFJXRLDYWVIYGU-LBPRGKRZSA-N 329.490 5.521 0 40 EKAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 4538927 WXZMPZBSERWALQ-UHFFFAOYSA-N 331.371 5.237 0 40 EKAB C[C@@H](NCC[C@@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1 4834774 OQCCEORISKRECA-UZLBHIALSA-N 339.866 5.806 0 40 EKAB CC(C)CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 6883603 ZDPPZZBAGPDTCS-UHFFFAOYSA-N 338.278 5.318 0 40 EKAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(Cl)ccc1F 12782785 FNPOFPNUFSRGFH-UHFFFAOYSA-N 340.785 5.102 0 40 EKAB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccsc1)CC(O)=N2 13553069 FEBHSGPKVDABTL-AWEZNQCLSA-N 343.839 5.019 0 40 EKAB Cc1cc(C)cc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)c1 27752174 AMLGZGILPVCNRC-UHFFFAOYSA-N 341.842 5.188 0 40 EKAB CC(C)Sc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72217510 ALMATUGQBSPGPX-OAHLLOKOSA-N 336.501 5.044 0 40 EKAB COc1cccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)c1 97105912 VRAMTCIBBTUSCD-UHFFFAOYSA-N 345.829 6.231 0 40 EKAB C[C@H](Cc1cccc2ccccc12)C(=O)NC(C)(C)CC(C)(C)C 224941094 FEJNUJNJLREJPB-MRXNPFEDSA-N 325.496 5.349 0 40 EKAB Cc1ccc(-c2[nH]c(=Nc3cccc(Cl)c3)sc2C)c(C)c1 409043909 BIXKMSWETIHXJO-UHFFFAOYSA-N 328.868 5.554 0 40 EKAB CC(C)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 685938569 OVQKSBQXYIRAMA-UHFFFAOYSA-N 342.236 5.081 0 40 EKAB Fc1ccc(-c2sc(Nc3ccccc3)nc2C(F)(F)F)cc1 52003 LCYQIXYLKBAVET-UHFFFAOYSA-N 338.329 5.712 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 134567 SSFZGLLINOZQNI-DHZHZOJOSA-N 340.835 5.115 0 40 EKAB Cc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 376006 URUZLGWICNIBEE-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB CN(C(=O)C1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 932746 HWYDCXWWSSUVMD-UHFFFAOYSA-N 334.872 5.007 0 40 EKAB Cc1ccc(NC(=O)OCc2cc(-c3ccccc3Cl)on2)cc1 1394132 IFTXHBGGHHJODM-UHFFFAOYSA-N 342.782 5.052 0 40 EKAB CCCCC1CCC(c2ccc(-c3ccc(OC)c(F)c3)nc2)CC1 2068680 PRFBCWPSGUKZFO-UHFFFAOYSA-N 341.470 6.360 0 40 EKAB CSc1ccccc1CCC(=O)c1cc(Cl)cc(Cl)c1 2516635 DUQCCVVYDOGHMZ-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB Clc1ccc(-c2csc(-c3cccnc3)n2)c(Cl)c1Cl 3241137 ZVHJXPJIOKAMAR-UHFFFAOYSA-N 341.650 5.832 0 40 EKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1cccc(C)c1 4321070 YQKGNTDWYOMBLF-UHFFFAOYSA-N 331.525 5.398 0 40 EKAB NC(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 4753675 DWEYCNLHXKOZFH-UHFFFAOYSA-N 335.450 6.069 0 40 EKAB Clc1ccccc1OCCn1c(-c2ccccc2)nc2ccccc21 6752654 DGRRRSPAOORXIY-UHFFFAOYSA-N 348.833 5.436 0 40 EKAB Clc1cccc(C(=C2CN3CCC2CC3)c2cccc(Cl)c2)c1 6861983 OALJOVQIPYTWHC-UHFFFAOYSA-N 344.285 5.521 0 40 EKAB CCOc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12 8325116 YOQMLWVPIVVLLE-UHFFFAOYSA-N 344.458 5.052 0 40 EKAB Oc1ccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 8436459 UHXXCROXERYSOW-IBGZPJMESA-N 337.469 5.812 0 40 EKAB Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 13218735 GOSRVAHFGDUDAX-UHFFFAOYSA-N 347.805 5.165 0 40 EKAB in-vivo Cc1ccc(C(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)o2)cc1 14709744 CTWCDTIMRNSRAL-CYBMUJFWSA-N 341.407 5.153 0 40 EKAB CCCN(C(=O)c1cccs1)c1nc(-c2ccc(C)cc2)cs1 17086988 NYEQBAVXHPHMGX-UHFFFAOYSA-N 342.489 5.237 0 40 EKAB CC(C)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412471 TUBUBJHMCZDFFZ-UHFFFAOYSA-N 339.826 5.106 0 40 EKAB Cc1cc(C)c2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 100017010 IGJPANQVKYWNCK-DFPMAUPISA-N 347.458 5.298 0 40 EKAB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)O 100743100 OMRDSKNXJYXBEL-HRDRHIAYSA-N 332.572 6.673 0 40 EKAB CCc1ccc(O[P@](C)(=O)Nc2ccc(Cl)cc2Cl)cc1 102121177 DCPPYJDLJWVHHW-NRFANRHFSA-N 344.178 5.870 0 40 EKAB Cc1cc(C)c(NC(=O)CCc2ccc(Cl)c(Cl)c2)c(C)c1 225327266 BWMJNYPFPFOOIC-UHFFFAOYSA-N 336.262 5.490 0 40 EKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225503041 UFJREHQZEXQGRE-UHFFFAOYSA-N 337.463 5.172 0 40 EKAB FC(F)(F)c1ccc(Br)c(OCc2ccccc2)c1 309954249 QBAAYEIWQPAGAY-UHFFFAOYSA-N 331.131 5.047 0 40 EKAB CCc1c(C(=O)Nc2ccccc2SC)oc2cc(C)c(C)cc12 526052276 OOMHTZHLYIYRHL-UHFFFAOYSA-N 339.460 5.586 0 40 EKAB CC(C)Cc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 63612 NXEUTKMNLPLSGP-UHFFFAOYSA-N 326.440 5.891 0 40 EKAB Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1C 1745095 TWKZMPYQCLUOFC-UHFFFAOYSA-N 325.415 5.657 0 40 EKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(C)cc23)cc1 1805857 FRRUVCJIMFBCSE-DARPEHSRSA-N 341.410 5.649 0 40 EKAB CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2cc(C)c(C)cc21 4547045 DLTIBRALUOQSIA-BOPFTXTBSA-N 326.529 5.975 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccs2)cc1 4670549 ZFUACVAMKDNHLK-UHFFFAOYSA-N 347.361 5.686 0 40 EKAB Cc1ccc(C2=Nc3ccccc3N=C(C(F)(F)C(F)F)C2)cc1 5243985 UNDHYDOUYJYPJB-UHFFFAOYSA-N 334.316 5.492 0 40 EKAB c1cc(C2CCCCC2)ccc1-c1csc(NC2CCCCC2)n1 6225899 BNAPCHYFWWPRLH-UHFFFAOYSA-N 340.536 6.602 0 40 EKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc(F)c1 9141774 PVWUZEXPYXJBOX-UHFFFAOYSA-N 341.769 5.524 0 40 EKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc(C)c1Cl 14401679 IFIMYZXFGUNHNW-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB S=c1sc(SCc2ccccc2)nn1Cc1ccccc1 16481052 WYDWSDRVVQXIBG-UHFFFAOYSA-N 330.503 5.015 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=C5C=CC=C5)CC[C@]34C)[C@@H]1CC[C@@H]2O 17316448 OYOVFIJVSKWVLT-CBUBZBNCSA-N 338.535 5.813 0 40 EKAB Clc1cc(Cl)c2c(c1)C=C1CCCC[C@@]1(N1CCCCC1)O2 19770659 RTKAPRCEVJCYGI-GOSISDBHSA-N 338.278 5.525 0 40 EKAB Cc1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)cc1Cl 32737971 VDSVBPZSPLGTHF-UHFFFAOYSA-N 334.202 5.609 0 40 EKAB Cc1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)ccc1F 71760607 PJTJHMUGTWIZIW-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 101214354 KEIWTLBGRWSELQ-UNMCSNQZSA-N 339.442 5.491 0 40 EKAB CC1(C)[C@@H]2CC[C@@H]1C[C@H]2OC(=O)Nc1ccc(Cl)c(Cl)c1 104861937 BNRWIFFGXQRKHM-GLXFQSAKSA-N 328.239 5.367 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1C 222949609 PFZAOUCHLIVZQU-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225702324 VTEDUNCVFXHIKP-NRFANRHFSA-N 347.499 5.322 0 40 EKAB S=C(Nc1cccc(Cl)c1)NC1(c2cccs2)CCCC1 225844756 UNMJMIZTITYQKW-UHFFFAOYSA-N 336.913 5.157 0 40 EKAB CN(Cc1ccccc1)C(=O)c1ccc(CSc2ccccc2)cc1 255938365 AAZUDBCIQMIUPY-UHFFFAOYSA-N 347.483 5.251 0 40 EKAB CC1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OC(=O)C[C@H]3C[C@]21C 263597838 HFUSQUPYZTVTFP-OXMFIQOZSA-N 328.496 5.271 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 408565485 KZHHDYKSDGGHIB-INIZCTEOSA-N 349.455 5.598 0 40 EKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OC)cc1 409110722 YEEATWQNFQVNGD-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB O=C(Nc1nc2ccccc2s1)c1ccc(Oc2ccccc2)cc1 364203 CGKTVSBQESRPHI-UHFFFAOYSA-N 346.411 5.341 0 40 EKAB COc1cc(OC)cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 365060 DIKXPNXSOQADFO-UHFFFAOYSA-N 341.451 5.203 0 40 EKAB Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 1571704 QDVJNAPZHAJGHK-UHFFFAOYSA-N 331.802 6.329 0 40 EKAB CCCCCN(CCCCC)C(=O)c1ccc(Cl)c(Cl)c1 2747565 FAWCWIDKMJHYQO-UHFFFAOYSA-N 330.299 5.816 0 40 EKAB O=C(Nc1ccc(Cl)cc1)C1[C@H]2CCC=CCCC=CCC[C@H]12 3148611 XYFUVLIWAXYEIS-ADUPEVMXSA-N 329.871 5.607 0 40 EKAB CCSc1ccccc1C(=O)Nc1nc2cc(C)c(C)cc2s1 4586156 XCHLMSLQJCLWJK-UHFFFAOYSA-N 342.489 5.277 0 40 EKAB S=c1nc[nH]c2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 5927513 VQIKQJORZANNLW-UHFFFAOYSA-N 335.457 5.058 0 40 EKAB CCCC[C@H](CC)C(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1 6043059 WQOGRFWEAGNFGQ-HNNXBMFYSA-N 344.524 6.088 0 40 EKAB Cc1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1C 6339943 DDVQNLDHMITPCA-UHFFFAOYSA-N 333.884 5.468 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(Cl)c1 8480316 SJVDKBWLXJUZAD-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Cc1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2C)n1 9341692 XUSAUIYJXVUKGX-LJQANCHMSA-N 333.460 5.116 0 40 EKAB C[C@@H](Nc1ccc2c3c(cccc13)CC2)c1nnc(-c2cccs2)o1 12534364 FXSMHDVAZZGIHN-GFCCVEGCSA-N 347.443 5.223 0 40 EKAB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccs1)CC(O)=N2 13550851 CVJOZCQYOQIZCX-CYBMUJFWSA-N 343.839 5.019 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 13710292 AAYHUQIBGPMKJW-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccccc1NC(=S)Nc1c(C(C)C)cccc1C(C)C 13841050 YWLKLBFXWRNWNI-UHFFFAOYSA-N 326.509 6.051 0 40 EKAB Cc1ccc(C(=O)Nc2cccc(CN[C@H](C)c3ccccc3)c2)cc1 17309587 NZXNRICBXKRCAN-GOSISDBHSA-N 344.458 5.098 0 40 EKAB CCc1ccc(Cc2nnc(SCc3ccccc3Cl)o2)cc1 20197065 NPSLCESONOBMNL-UHFFFAOYSA-N 344.867 5.169 0 40 EKAB Fc1ccc(NC(=S)Nc2cccc(Cl)c2F)c(Cl)c1 71326199 NZJHXXNNOZNUGM-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12 100044741 LDWOCVLKNFPNQW-FJTAEUEUSA-N 345.486 6.107 0 40 EKAB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC[C@H](C)O 105197794 OMRDSKNXJYXBEL-NQROXPQISA-N 332.572 6.673 0 40 EKAB C/C=C(\C)[Sn](CCCC)(CCCC)CCCC 195843832 OAYZKTAZYLIETD-UHFFFAOYSA-N 345.159 6.341 0 40 EKAB Cc1ccc(S[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1 225083904 KJPDBJNMKYCUGB-CQSZACIVSA-N 341.259 5.090 0 40 EKAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1Cl 120880 DSMSSWZUYSSPKW-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2ccccc2c1 222501 FULJLCHCUMVROD-UHFFFAOYSA-N 347.197 5.131 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 425662 UWSMPWCROHLKEF-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB CCc1c(C)c2cc3c(-c4cccc(OC)c4)coc3cc2oc1=O 488929 YSDJXUOVGGLQEK-UHFFFAOYSA-N 334.371 5.086 0 40 EKAB biogenic O=C(NC1CCCCCC1)c1cc(-c2ccccc2)nc2ccccc12 994668 IERZESXCOUQANU-UHFFFAOYSA-N 344.458 5.354 0 40 EKAB Fc1ccccc1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 2266735 XZCSAXLAGZYRBC-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB Cc1c(-c2cccc(Cl)c2)oc2ccc(Br)cc2c1=O 3360247 HOKUZCHSSANDNJ-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB O=C(O)c1ccccc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3614835 WVUIRBFRXSXENX-UHFFFAOYSA-N 349.230 5.166 0 40 EKAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 5676673 GERYMSHVTOKHTN-SCUMNGBJSA-N 339.523 5.319 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1cccc(Cl)c1 8382780 YSLIPPRBXGRWRA-UHFFFAOYSA-N 325.795 5.144 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(C)C)cc1 11637186 ZHEVAVQBHVEIHV-HXUWFJFHSA-N 325.452 5.223 0 40 EKAB Cc1cc(C)c(NC(=O)c2csc(-c3cccs3)n2)c(C)c1 12915028 PSPDCTRBIKSKED-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc(C)c3C)o2)cc1 15867441 KYAHYHFHZGIARN-UHFFFAOYSA-N 349.430 5.143 0 40 EKAB Cc1ccccc1[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 30862665 VHNVSCWAPVCFSG-HXUWFJFHSA-N 335.834 5.168 0 40 EKAB COc1cccc(C[S@@](=O)Cc2c(C)cc(C(C)(C)C)cc2C)c1 58195772 MFUNGAXHVGISLX-DEOSSOPVSA-N 344.520 5.058 0 40 EKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccco2)C[C@@H](c2ccco2)C1 100141963 BPKFDDLJLHPGJY-LRTDBIEQSA-N 346.386 5.502 0 40 EKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2cccnc2)c2ccccc21 102325386 QGRGXWIEOPKEQV-NRFANRHFSA-N 342.423 5.332 0 40 EKAB Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(Cl)cc1)CC(C)(C)O2 222636394 SUFMBXPXKXIKKY-MRXNPFEDSA-N 344.842 5.072 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 225115557 HMFLORQLRRIEAL-DYESRHJHSA-N 345.527 5.055 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225746438 AWZXNHWXONKKHZ-NRFANRHFSA-N 349.515 5.344 0 40 EKAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(C(C)(C)C)cc1 225831878 XDTCEHZLGSYXQV-GFCCVEGCSA-N 333.834 5.268 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2 226296438 ODEJXGQKDAJTOX-UHFFFAOYSA-N 346.429 6.156 0 40 EKAB CC(C)(C)c1csc(=Nc2ccc(F)c(Cl)c2)n1C(C)(C)C 575628230 KBUHMZNMGWBPCN-UHFFFAOYSA-N 340.895 5.627 0 40 EKAB CC(=O)c1cccc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1 68207 YOXGSMMSACMHEK-UHFFFAOYSA-N 343.835 5.318 0 40 EKAB Cc1ccc2nc(-c3cccs3)c(NCc3ccc(F)cc3)n2c1 413710 HCSMDTRXOMGAFW-UHFFFAOYSA-N 337.423 5.122 0 40 EKAB c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1 1673815 RGCAQUUSBHVLJD-UHFFFAOYSA-N 338.406 6.938 0 40 EKAB c1cc2c(c(C3CCCCC3)c1)Oc1c(cccc1C1CCCCC1)C2 2285667 WLNHIBAECFXRDB-UHFFFAOYSA-N 346.514 7.479 0 40 EKAB Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1 2566940 CXKIGWXPPVZSQK-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic Cc1nc(Nc2cccc(Cl)c2C)c2c3c(sc2n1)CCCC3 3018056 DOOKECRUQDRKFQ-UHFFFAOYSA-N 343.883 5.584 0 40 EKAB S=c1nc[nH]c2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 5927515 FIPCICHNOBBVMY-UHFFFAOYSA-N 349.484 5.448 0 40 EKAB O=C(Nc1ccccc1)c1ccccc1Sc1nc(Cl)cs1 9112335 PFISWZPVFRTAOZ-UHFFFAOYSA-N 346.864 5.200 0 40 EKAB CC1=Nc2c(-c3ccccc3)c(C)nn2[C@H](c2cc(F)cc(F)c2)C1 14607129 YNUCCRCQTATTNF-SFHVURJKSA-N 337.373 5.222 0 40 EKAB O=C(c1ccccc1SCc1ccccc1)N1CCc2ccccc21 16480868 OQFJIPNHSNEIGZ-UHFFFAOYSA-N 345.467 5.182 0 40 EKAB CC[C@H](C)Oc1cccc(NCCOc2ccccc2[C@@H](C)CC)c1 19737544 WEMFBHYPLAWRED-ROUUACIJSA-N 341.495 5.868 0 40 EKAB Cc1ccc(C)c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 22460345 BLNBBAPGQJMJBI-UHFFFAOYSA-N 343.857 6.839 0 40 EKAB Cc1ccc(C)c(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c1 34761848 DROVPXHZINLUKK-QINSGFPZSA-N 337.444 5.319 0 40 EKAB Cc1ccc(-c2csc(Nc3ccc(Cl)cc3Cl)n2)cc1 67321666 IJKZZTSMWHMEJI-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB COc1cccc(-c2nc(-c3nc(-c4ccccc4)c(C)[nH]3)cs2)c1 95468301 RFENKUDMVJLHKI-UHFFFAOYSA-N 347.443 5.184 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225746297 BRUBCHANNDUBIX-LAUBAEHRSA-N 349.515 5.486 0 40 EKAB O=C(Nc1cccc(F)c1)[C@H](Sc1ccccc1)c1ccccc1 483307 XFUBUMFOHBALAW-LJQANCHMSA-N 337.419 5.298 0 40 EKAB O=C(Oc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 566903 SYEXNOZBYFEHDV-UHFFFAOYSA-N 338.790 5.138 0 40 EKAB O=C(CCCCC(=O)Sc1ccccc1)Sc1ccccc1 1718235 VESNZOIGQGPYFP-UHFFFAOYSA-N 330.474 5.185 0 40 EKAB Cc1ccc2oc(=O)c(-c3ccc(O)cc3)c(-c3ccccc3)c2c1 2573936 GZXMPGGLWXSQHW-UHFFFAOYSA-N 328.367 5.141 0 40 EKAB CC(C)c1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1 4137714 KZTKGVFWHRNHGV-UHFFFAOYSA-N 343.452 5.912 0 40 EKAB Cc1c(N/N=N/c2ccc(Cl)c(Cl)c2)n(C)c2ccccc12 4455771 IAMGAGTVOIVAAR-UHFFFAOYSA-N 333.222 5.904 0 40 EKAB Cc1ccc([C@H](CCN[C@H](C)c2cccs2)c2ccco2)cc1 4909806 JFDCWISCXVUYIG-AEFFLSMTSA-N 325.477 5.522 0 40 EKAB CC(C)Cc1ccc([C@H](NC(=O)c2ccoc2)c2cccs2)cc1 9984543 XNFVIWYYJHAJIN-IBGZPJMESA-N 339.460 5.059 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)C3CCCCC3)n2)cc1C 14077486 MIZGGNBPPWDTRV-UHFFFAOYSA-N 328.481 5.254 0 40 EKAB Cc1cccc(Nc2ncccc2C(=O)Nc2ccc(C(C)C)cc2)c1 22072989 PUMMJVCOZVQXHJ-UHFFFAOYSA-N 345.446 5.509 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)(C)C 32958555 QTNLGTMJUPZOTQ-ZDUSSCGKSA-N 331.843 5.044 0 40 EKAB Cc1ccc(CNc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 36618885 DHCOLZIPKOJKIW-UHFFFAOYSA-N 349.381 5.144 0 40 EKAB COc1ccc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1 41306323 ACLBLZFGAOQPIZ-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1 44880462 XSTMCQSCCYGCRX-IBGZPJMESA-N 339.822 5.289 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)CSCc1ccccn1 48210403 AIHUXSHBMQZIIZ-UHFFFAOYSA-N 342.508 5.200 0 40 EKAB Cc1ccc(CC(=O)Nc2ccccc2Sc2ccccc2)cc1 59241817 ILFRCCGKUUAVSD-UHFFFAOYSA-N 333.456 5.327 0 40 EKAB C[C@H](NC(=S)N[C@H](C)c1ccccc1)c1ccc2ccccc2c1 84656629 VAPRIENJIICISE-CVEARBPZSA-N 334.488 5.126 0 40 EKAB Cc1cc(NCC2(Nc3ccccc3)CCCCC2)c2ccccc2n1 89583156 WZIDIZGMZVWPSI-UHFFFAOYSA-N 345.490 5.770 0 40 EKAB O=C(CCNc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1 96136870 ISEQYNCJCYPARE-UHFFFAOYSA-N 348.427 5.241 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1Cl 225760579 VMRADZHGXVPQMB-GOSISDBHSA-N 346.927 5.641 0 40 EKAB COc1cc2c(C(=O)O)c(C)n(-c3ccc(C)cc3)c2c2ccccc12 348500 JWTASDQRXRTXIG-UHFFFAOYSA-N 345.398 5.107 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 364923 FPJYWIOJNKWNJX-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\Cc3ccccc3)c2c1 1892431 ISZWFWCPMFBJPM-YYDJUVGSSA-N 339.438 5.763 0 40 EKAB COc1ccccc1[C@@H](CCNC/C=C/c1ccccc1)c1ccco1 4086470 FLPYFEIQMHIWLA-FTUXVVSKSA-N 347.458 5.113 0 40 EKAB biogenic Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 5752009 IUFRYLWRFJPAIV-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB Clc1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 6567108 RRYPHUHOEKOYKD-IBGZPJMESA-N 331.806 5.329 0 40 EKAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 7790396 DTTQFZBCJVSMRQ-HNNXBMFYSA-N 343.492 5.246 0 40 EKAB Fc1c(Cl)cccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 16318539 VXJUGPVIXDRDCF-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(C)cc(C)cc1C 20110778 HLQFUGIMQCFDAL-OAQYLSRUSA-N 347.458 5.561 0 40 EKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(C)c(Cl)c2)c1 20237942 ZLCVXSDMIRBJGQ-UHFFFAOYSA-N 333.884 5.137 0 40 EKAB CC(C)c1ccc(NC(=O)c2cccnc2NC2CCCCC2)cc1 22073007 KPLBQQBUZZAIMK-UHFFFAOYSA-N 337.467 5.202 0 40 EKAB OC1=Nc2ccsc2[C@H](c2cccc(C(F)(F)F)c2)SC1 71282968 FBVRGRWJZOMDGF-LBPRGKRZSA-N 329.368 5.191 0 40 EKAB CC[C@@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 106937190 SUGKAAYYHYCKPD-RHSMWYFYSA-N 332.856 5.071 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1 225733437 KWQCFLQZPYNYSX-HXUWFJFHSA-N 335.488 5.035 0 40 EKAB Cc1cc(C)cc(NC(=S)NC2(c3cccs3)CCCC2)c1 225842761 HNCVDHGIDMKZCH-UHFFFAOYSA-N 330.522 5.121 0 40 EKAB Cc1ccccc1Oc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 408600854 GQKBFXKNWDYDKZ-OVCLIPMQSA-N 347.389 5.578 0 40 EKAB CC[C@@H](C(=O)c1cccc(OCc2cccc(F)c2)c1)c1ccccc1 575357754 VUHWUTAXRDMFEI-JOCHJYFZSA-N 348.417 5.781 0 40 EKAB Fc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 319966 ANKIHCSFKURNSN-UHFFFAOYSA-N 343.833 5.538 0 40 EKAB CCC(CC)C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C 506141 WZIAJJLOPZTIHB-JXFKEZNVSA-N 336.479 5.401 0 40 EKAB c1csc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)c1 1637820 XSPCNJAYSZCHRV-UHFFFAOYSA-N 344.551 6.857 0 40 EKAB CSc1ccc(OC(=O)Oc2ccc(SC)c(C)c2)cc1C 1699618 NCJSJISACMTARR-UHFFFAOYSA-N 334.462 5.325 0 40 EKAB Sc1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1 2022451 QVSUAHZNAOEGJL-UHFFFAOYSA-N 327.452 6.100 0 40 EKAB CCCCOc1ccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc1 5560258 QUHIYQKSACECHK-NTEUORMPSA-N 349.499 6.468 0 40 EKAB Cc1ccc(-c2csc(/C=C/c3ccc4c(c3)OCCO4)n2)cc1 6048430 GUNKQXUBSYBCGZ-WEVVVXLNSA-N 335.428 5.060 0 40 EKAB CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2[nH]c2ccc(C)cc23)O1 6206699 YZBKHDJPIAYXQH-HSZRJFAPSA-N 331.459 6.540 0 40 EKAB endogenous,in-man Fc1ccc(CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 8023390 TWQCWPZXPXHMBO-UHFFFAOYSA-N 340.467 5.592 0 40 EKAB Cc1cc(C)c(NC(=O)CCCc2nc3ccccc3s2)c(C)c1 12774523 QLVIYSLHXXSEIL-UHFFFAOYSA-N 338.476 5.183 0 40 EKAB O=C(/C=C\c1cccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 12961363 DEHOTINIUUDXJB-HJWRWDBZSA-N 342.225 5.799 0 40 EKAB Cc1ccc(C)c(NC(=S)Nc2ccc(Cl)cc2Cl)c1 13736912 XEOCDHPZRLCSDO-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB Cc1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 15720141 UVSRLJAJYNBWTA-UHFFFAOYSA-N 339.485 5.601 0 40 EKAB Cc1ccsc1CN(Cc1ccco1)C(=O)c1cccc(Cl)c1 15831754 ORCKGUDHJHPRIQ-UHFFFAOYSA-N 345.851 5.146 0 40 EKAB CCCCCCNC(=O)N(c1ccccc1)c1cccc(Cl)c1 16637947 RCZYZQGTAMHAOM-UHFFFAOYSA-N 330.859 5.768 0 40 EKAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 20455239 RCJAPEDOHLQSPT-OAQYLSRUSA-N 333.431 5.198 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)c(C)c1 20484940 VGDWSKZSYYIJNY-ZWKOTPCHSA-N 347.458 5.101 0 40 EKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 22524358 LHEZUYZRWRBRNA-QGZVFWFLSA-N 347.414 5.193 0 40 EKAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc3ccccc23)c1 25263235 MWIHWNQKSQQUJH-UHFFFAOYSA-N 331.415 5.058 0 40 EKAB CC(C)c1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 27662684 XZQHPMTYHVKQMD-UHFFFAOYSA-N 330.431 5.052 0 40 EKAB CC(C)c1ccc2oc(Nc3nc4ccc(F)cc4s3)nc2c1 57352976 FRLCQIWLQINYSQ-UHFFFAOYSA-N 327.384 5.444 0 40 EKAB O=C(Nc1cccc(Oc2ccccc2)c1)N1CCc2ccccc2C1 59572505 NPPFIDIZQYIWIA-UHFFFAOYSA-N 344.414 5.069 0 40 EKAB COc1ccc2ccccc2c1CNCc1ccccc1C(F)(F)F 83970452 VNONECURBHXUCM-UHFFFAOYSA-N 345.364 5.157 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(C)cc2)cc1OCC 106993158 JHRCTEUPPHEJFS-UHFFFAOYSA-N 333.859 5.448 0 40 EKAB Clc1ccc2oc(CCCc3nc4cc(Cl)ccc4o3)nc2c1 216741200 LTQWFDHZJFIBRO-UHFFFAOYSA-N 347.201 5.451 0 40 EKAB Cc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 225160512 BOZVVSUNNWXAHW-UHFFFAOYSA-N 331.415 5.277 0 40 EKAB CCCO[C@@](C)(C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1)C1CC1 225674317 VLUYGPSRFKMIKJ-IIBYNOLFSA-N 347.499 5.015 0 40 EKAB Cc1ccccc1NCc1cccc(OCc2ccccc2Cl)c1 409112021 BJJZZYNTNRYKDT-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 1000351 QIIKCFPSNCDERB-JOCHJYFZSA-N 329.468 6.353 0 40 EKAB Cc1ccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)cc1 1386024 YWYUJNGULGGVEH-UHFFFAOYSA-N 333.822 5.108 0 40 EKAB COC(=O)[C@H]1C(=C(c2ccccc2)c2ccccc2)[C@H]1c1ccccc1 1707175 SBURSIJKQBMLEA-FYYLOGMGSA-N 340.422 5.075 0 40 EKAB Cc1sc(Nc2ccccc2)nc1-c1ccccc1OC(F)F 1793843 GFXPTZMDPNMICV-UHFFFAOYSA-N 332.375 5.464 0 40 EKAB CC(C)(C)c1cc(C(C)(C)C)c2nc(-c3ccccc3O)oc2c1O 2270998 LAKXCHLPUCRTFR-UHFFFAOYSA-N 339.435 5.501 0 40 EKAB biogenic CCCCc1nc2sc3c(SC)ncnc3c2c2c1CCCC2 2277786 KWTNLTXGLNJMBB-UHFFFAOYSA-N 343.521 5.183 0 40 EKAB S=C(Nc1ccc(Cl)cc1Cl)Nc1cccc2cnccc12 3372521 CHHKOXPXTGXZRJ-UHFFFAOYSA-N 348.258 5.351 0 40 EKAB COc1ccc([C@@H](CCNCc2ccccc2F)CCC(C)C)cc1 5501477 IKBAGCXPDJAYIB-LJQANCHMSA-N 343.486 5.534 0 40 EKAB Cc1cc(NC(=O)c2oc3ccccc3c2C)ccc1Br 5678852 MUKKPFPTRLWTLF-UHFFFAOYSA-N 344.208 5.064 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc1 5903585 JISIQAKXTKZKJY-IZZDOVSWSA-N 348.273 5.943 0 40 EKAB Cc1cccc(-c2nc3c(c(SCc4ccccc4)n2)CCCC3)c1 6523436 NNMPXZRLMZTHBV-UHFFFAOYSA-N 346.499 5.623 0 40 EKAB Cc1ccc2cccc(SC(c3ccccc3)c3ccccc3)c2n1 8742254 CYDVVFPBRWTJOY-UHFFFAOYSA-N 341.479 6.425 0 40 EKAB Cc1cc(C)c2c(c1)OCN(CCc1ccc(Cl)cc1Cl)C2 20344930 PVJJPWMQBMVACT-UHFFFAOYSA-N 336.262 5.005 0 40 EKAB Clc1ccc(OCc2ccccc2)c(CNC2CCCCC2)c1 22073955 ITKLNHHWGRWTMH-UHFFFAOYSA-N 329.871 5.341 0 40 EKAB Cc1ccnc(Nc2nc(-c3cccc(Br)c3)cs2)c1 67321965 QGXAKFDZOYAPBP-UHFFFAOYSA-N 346.253 5.020 0 40 EKAB C1=Cc2ccccc2/C1=C/c1cccc(/C=C2\C=Cc3ccccc32)c1 104142905 AXOITUPNKUIHGW-GJHDBBOXSA-N 330.430 6.821 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(Oc4ccc5ccccc5c4)c23)C1 38277 LZADPEKQPMLBMG-ZDUSSCGKSA-N 346.455 5.762 0 40 EKAB O=C(OCc1ccc(Cl)cc1)c1sc2ccccc2c1Cl 339176 OIHYLAPIMWPDFD-UHFFFAOYSA-N 337.227 5.565 0 40 EKAB O=C(Oc1cccc2ccccc12)c1ccc(-c2ccccc2Cl)o1 365930 UNUHRIWNCNXJJR-UHFFFAOYSA-N 348.785 5.972 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c(C)c3)sc2c1 484330 ZSMQVYKBNVYYMQ-UHFFFAOYSA-N 329.852 5.732 0 40 EKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(Cl)cc1 567889 CLVWQFHIGFCGPX-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB O=P1(c2ccccc2)C(c2ccccc2)=CC=C1c1ccccc1 1647293 RYKNOWKNGHQFBI-UHFFFAOYSA-N 328.351 5.771 0 40 EKAB Cc1cc(OC(=O)Nc2ccccc2C(F)(F)F)cc(C)c1Cl 1738381 BWEWXSRHKPWNHM-UHFFFAOYSA-N 343.732 5.587 0 40 EKAB Cc1nc2ccccc2c(Nc2ccccc2)c1CC=C(Cl)Cl 2322716 BRSGSZLJTAYGGU-UHFFFAOYSA-N 343.257 6.148 0 40 EKAB Sc1c(Cl)c(Cl)nc(C(Cl)(Cl)Cl)c1Cl 6057077 OBZNVWVUIHCNNS-UHFFFAOYSA-N 331.866 5.157 0 40 EKAB Fc1ccc([C@H](CCN2CC3CCC(CC3)C2)c2ccccc2)cc1 6581817 AYZADYBJJUWYON-MTNXOHHFSA-N 337.482 5.470 0 40 EKAB Cc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 6845414 XSEUVUWDJOYAHO-UHFFFAOYSA-N 344.458 5.339 0 40 EKAB O=C(Nc1cccc(F)c1)c1ccccc1SCc1ccccc1 7684595 SHEDJUOAAUCFOY-UHFFFAOYSA-N 337.419 5.370 0 40 EKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(Cl)c1 9515144 OQSVWICHGGSJKD-UHFFFAOYSA-N 342.748 5.023 0 40 EKAB CC[C@@H](C)Oc1ccc(NC[C@H](C)Oc2cc(C)ccc2C)cc1 19737527 QXSFDLSXXFLQRL-MSOLQXFVSA-N 327.468 5.360 0 40 EKAB Cc1ccc(Cc2nnc(SCc3ccccc3Cl)o2)cc1C 20196829 BBKWCQGIXCFYER-UHFFFAOYSA-N 344.867 5.223 0 40 EKAB CCCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 59796831 RRKRBRVTKIRLHH-UHFFFAOYSA-N 332.409 6.845 0 40 EKAB COc1ccccc1CN[C@H](c1ccccc1)c1cc2ccccc2o1 71877725 PNFGEVMFEGVWLO-HSZRJFAPSA-N 343.426 5.321 0 40 EKAB Cc1nc(C[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)sc1C 87003556 RZFYWYHHLLIFKS-CFMSYZGJSA-N 348.320 5.077 0 40 EKAB CC[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc(OC)cc1 222675981 NCDUGRIEIDJPDO-QFIPXVFZSA-N 347.458 5.049 0 40 EKAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl 225505549 AMILIDMGQTZPAK-UHFFFAOYSA-N 343.854 5.189 0 40 EKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCCCCC1 225658965 AILHIYMDVBYBTE-KRWDZBQOSA-N 347.499 5.322 0 40 EKAB Cc1c(Cl)cccc1NCc1cccc(OCc2ccccc2)c1 394409592 DZNYABRAKLIGHJ-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCOc1ccc(-c2cn(-c3cccc(Cl)c3)c(=S)[nH]2)cc1 424430 POCQQGUTMNUVSB-UHFFFAOYSA-N 330.840 5.254 0 40 EKAB Clc1ccc(-c2nc(-c3ccccc3)c3ccccn23)c(Cl)c1 564700 IYHCAAGYLMDLDG-UHFFFAOYSA-N 339.225 5.975 0 40 EKAB CCOC(=S)SCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1565653 OJILBRJTCQPLCP-UHFFFAOYSA-N 340.554 5.542 0 40 EKAB Cc1nc2sc(C)c(C)c2c(-c2ccccc2)c1-c1ccccc1 2075223 QJFXXGWURIXZQL-UHFFFAOYSA-N 329.468 6.556 0 40 EKAB CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc21 2732273 QZSAUVHORFILAW-UHFFFAOYSA-N 339.748 5.099 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1cccc2cnccc12 3251524 WVCSRMPSBHSJBH-UHFFFAOYSA-N 344.439 5.119 0 40 EKAB Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2cccc(C)n12 3911593 UUMZKZOGMIOIMR-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB COc1ccc2[nH]c(C)c(CCN(CCC(C)C)CCC(C)C)c2c1 4622212 JINHOPPIDWTUQL-UHFFFAOYSA-N 344.543 5.422 0 40 EKAB c1ccc(-c2nc(N3CCCCC3)c3oc4ccccc4c3n2)cc1 5278054 UTLYHKBOKGZKKH-UHFFFAOYSA-N 329.403 5.033 0 40 EKAB Clc1cccc(CSc2nnc(/C=C/c3ccccc3)o2)c1 6222604 ROTNAYBZULVTIW-MDZDMXLPSA-N 328.824 5.186 0 40 EKAB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OC(C)C 6354942 NSSUNDBWKHTZHL-UNOMPAQXSA-N 340.444 5.202 0 40 EKAB Cc1cc(C)cc(NC(=O)CCCSc2ccc(Cl)cc2)c1 6386715 HQFAQNRRQAWMBD-UHFFFAOYSA-N 333.884 5.468 0 40 EKAB Fc1ccc(CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1 21658344 DEYNDKGQPBIXER-UHFFFAOYSA-N 335.407 5.056 0 40 EKAB c1ccc(COc2ccc3ccc(OCc4ccccc4)cc3c2)cc1 22996507 UQDKJKZDEILDBS-UHFFFAOYSA-N 340.422 5.998 0 40 EKAB CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1 33655117 FRWVRTOGFFQGHB-UHFFFAOYSA-N 340.648 5.113 0 40 EKAB Cc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1 95116521 SOKMBGLYMMGCGP-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CCC1(CC)C[C@H](NC(=S)Nc2ccccc2)c2ccccc2O1 222757944 WSUNYDBRZOWFCR-KRWDZBQOSA-N 340.492 5.056 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222853687 LHMQOTJCAYKHAT-CYBMUJFWSA-N 349.883 5.166 0 40 EKAB CCSc1ccccc1NC(=O)C1(c2ccccc2)CCCC1 224163276 NFUYSLSLDHWXKV-UHFFFAOYSA-N 325.477 5.249 0 40 EKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225735984 ISPPDYGJEOHZJQ-UTKZUKDTSA-N 349.515 5.342 0 40 EKAB Oc1cc(O)c(-c2cccc(-c3cccc(Cl)c3)c2)c(Cl)n1 585090218 NPVPCIFFGOLAAS-UHFFFAOYSA-N 332.186 5.134 0 40 EKAB CC(=O)N1c2ccc(C)cc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C 135503 ZHNPUEPFTRRAJP-NRFANRHFSA-N 341.882 5.490 0 40 EKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1 570325 HZHBKHNZRVNBFG-CQSZACIVSA-N 336.435 5.603 0 40 EKAB O=c1cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 2132060 IHOKQPFZZUFGFY-UHFFFAOYSA-N 346.426 5.488 0 40 EKAB biogenic Cc1ccc(Oc2nc(-c3ccc(F)cc3)nc3ccccc23)cc1C 2679286 BHKIALLHOWLEHR-UHFFFAOYSA-N 344.389 5.845 0 40 EKAB COc1ccc(C2(c3cccc(Br)c3)CCCCC2)cc1 2683895 ABOIRHZDXWRLHW-UHFFFAOYSA-N 345.280 5.708 0 40 EKAB Cc1nc(Oc2cc(C(C)C)ccc2C)c2c(C)c(C)sc2n1 3310245 OBJAKRLFEGFVCI-UHFFFAOYSA-N 326.465 5.841 0 40 EKAB Cc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 5018979 DRGFHXIMKSTANI-GMAHTHKFSA-N 340.426 5.237 0 40 EKAB COc1cccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)oc12 8960587 QTCWVOXPQLIBAE-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14401415 DRPBSVMDZUNAEH-MRXNPFEDSA-N 325.452 5.007 0 40 EKAB Cc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1 16842555 GDIHMCRVAHKAQE-UHFFFAOYSA-N 349.434 5.136 0 40 EKAB CC/C=C\c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 34688516 ANAMDWGJXBYJEB-VZJFXJIWSA-N 326.480 5.032 0 40 EKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)Nc1cccs1 38671399 XDOZCBWTXGKEHP-UHFFFAOYSA-N 335.388 5.200 0 40 EKAB CCOc1ccc(C(=O)c2cnc3ccc(Cl)cc3c2Cl)cc1 71775254 RIHBMDQJRQFMJT-UHFFFAOYSA-N 346.213 5.171 0 40 EKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1 225427081 FEZWGLFZROEZFO-IBGZPJMESA-N 343.854 5.015 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3ccc(Cl)cc3)CCCC2)cc1 225845002 VBWJNQQLFPAUAA-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB COc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1 98825 ZOBPXBWFLDRTPE-UHFFFAOYSA-N 328.371 5.098 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)c1 385394 JKLSDELKDUEBDX-QGZVFWFLSA-N 347.433 5.852 0 40 EKAB O=C(CCSc1cccc2cccnc12)Nc1ccc(Cl)cc1 386114 UFTKFXBHQVKARK-UHFFFAOYSA-N 342.851 5.009 0 40 EKAB Cc1nc(N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2oc3ccccc3c2n1 537959 GHZQQHKRGDMUHI-QKKBWIMNSA-N 335.451 5.089 0 40 EKAB FC(F)(F)c1cnc(SCc2ccc(Cl)nc2)c(Cl)c1 1392225 WZYAQKSSNRAWCO-UHFFFAOYSA-N 339.169 5.095 0 40 EKAB O=C(Cc1ccco1)c1cc(-c2ccccc2)sc1-c1ccccc1 2597818 VFGTZYWUIUIYJZ-UHFFFAOYSA-N 344.435 6.101 0 40 EKAB Cc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)O)cc1 4614303 GFXUIQBGAVFJEB-UHFFFAOYSA-N 343.835 5.066 0 40 EKAB Cc1cc(C)c(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1C 4764321 USIQEUUFABRUFP-XMMPIXPASA-N 340.470 5.968 0 40 EKAB COc1ccc(-c2csc(N[C@@H](C)c3ccccc3)n2)c(OC)c1 5156736 MXXPURMNUYCQEP-ZDUSSCGKSA-N 340.448 5.000 0 40 EKAB Cc1ccc(C(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 5745557 BEDXCVIFGAIHKV-UHFFFAOYSA-N 338.410 5.214 0 40 EKAB CCCC[C@@H](CC)CNC(=O)c1c(OCC)ccc2ccccc12 8382794 HQJMLXDHLMNMTE-MRXNPFEDSA-N 327.468 5.185 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 10335113 ZNWPKFNZZFCSOA-UHFFFAOYSA-N 346.268 5.144 0 40 EKAB Cc1nn2c(c1-c1cccc3ccccc13)N=CC[C@H]2c1ccccc1 14607101 SPMZNQSCUVRWSA-NRFANRHFSA-N 337.426 5.707 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(Cl)c1F 16318545 VJUZBNAHOMFPKJ-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Clc1ccccc1COc1ccc(CNCc2ccccc2)cc1 16480123 IWEGPBUQSHYAIE-UHFFFAOYSA-N 337.850 5.209 0 40 EKAB Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1c1cccs1 22358161 UNHVZYMLLNCHOL-AWEZNQCLSA-N 330.478 5.110 0 40 EKAB CC(C)c1ccccc1OCc1nc2cc(Br)ccc2[nH]1 33327170 GVHUISGVOGFLEK-UHFFFAOYSA-N 345.240 5.028 0 40 EKAB Fc1c(Cl)cccc1NC(=S)Nc1cccc2c1CCCC2 71760623 NBWLHJPZQDEGHD-UHFFFAOYSA-N 334.847 5.167 0 40 EKAB CCc1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 73638103 KXLNBWMLHGGUJU-UHFFFAOYSA-N 336.616 5.473 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 75241775 OWTHBYYTKLYENH-VQHVLOKHSA-N 328.283 5.338 0 40 EKAB O=C(Nc1cccc(COC2CCCCC2)c1)c1cc2ccccc2o1 89873062 SOSZEOHKVYDHEK-UHFFFAOYSA-N 349.430 5.534 0 40 EKAB c1ccc2c(c1)[nH]c1cc(-c3ccc4c(c3)[nH]c3ccccc34)ccc12 168401593 XZGICZPYQOUKIN-UHFFFAOYSA-N 332.406 6.623 0 40 EKAB Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 225433410 GCPOTAVPYNCRDH-UHFFFAOYSA-N 341.760 5.157 0 40 EKAB O=C(c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1Cl 226296799 QMOQFAGMFMWECG-UHFFFAOYSA-N 339.221 5.796 0 40 EKAB Cc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2Cl)cs1 1391250 MOCDRKZMSQKIIC-UHFFFAOYSA-N 336.243 6.218 0 40 EKAB Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2C)cc1C 2437842 AGRNQZLOWFWEDV-UHFFFAOYSA-N 343.883 5.045 0 40 EKAB c1ccc(-c2nc(NC3CCCCC3)c3oc4ccccc4c3n2)cc1 2452540 ZSXNMRZWHVFAGW-UHFFFAOYSA-N 343.430 5.788 0 40 EKAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1c1ccccc1 3388881 HUWYPPUQHWDVPS-IBGZPJMESA-N 334.806 5.111 0 40 EKAB COc1ccc(/C=C/C(=O)NC2CCCCCCCCCCC2)cc1 4037075 FXNDINFHOGXOMY-OBGWFSINSA-N 343.511 5.498 0 40 EKAB biogenic CC(C)c1ccc(-c2nc(-c3ccccc3)c(CC(=O)O)s2)cc1 8343382 TYCYYBUVLKSSQR-UHFFFAOYSA-N 337.444 5.228 0 40 EKAB CCc1ccc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 8392091 GWYQXUPBHKDPGS-OAHLLOKOSA-N 333.431 5.153 0 40 EKAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1c(C)cccc1C(C)C)C2 11429253 KQLCUBJHSLRYIX-SFHVURJKSA-N 325.477 5.082 0 40 EKAB Cc1c(-c2nc3ccccc3s2)oc2ccc(Br)cc12 14185460 AJLHQHSRTLLPGC-UHFFFAOYSA-N 344.233 5.780 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1C 20459416 MIDXYVDFOYVWQE-SFHVURJKSA-N 331.843 5.061 0 40 EKAB Clc1ccc(-c2ccc(/C=C/c3ccc4ccccc4n3)o2)cc1 28294355 WYFRSYBMCNANJH-VAWYXSNFSA-N 331.802 6.319 0 40 EKAB FC(F)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 36615386 YGJHEPKEWNUZOR-UHFFFAOYSA-N 325.362 5.113 0 40 EKAB CCN(C(=O)Nc1c(F)cccc1F)[C@H](C)c1cc2ccccc2o1 56525439 JQTIVQDBNCDBBK-GFCCVEGCSA-N 344.361 5.326 0 40 EKAB CC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@H](C(F)(F)F)S1 71286762 SQDLBWZXFRNYNV-GFCCVEGCSA-N 347.406 5.274 0 40 EKAB Clc1ccc(Cl)c2[nH]c(-c3ccccc3Br)nc12 73634660 NSRPGGONOJQQEY-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB Cc1nnc([C@@H](C)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 77676158 PIBYTIZMZOCTHG-FOIQADDNSA-N 341.499 5.474 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 100744261 JLMIEJPAIDUIPY-MMNXLFCMSA-N 344.326 5.005 0 40 EKAB biogenic CC[C@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 106937192 SUGKAAYYHYCKPD-PBHICJAKSA-N 332.856 5.071 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 222906238 ANRVTGSIOIAUGT-SFHVURJKSA-N 345.870 5.434 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1cccc2ccccc12 224455281 IVOQWTOIHNMFPA-YLJYHZDGSA-N 341.495 5.330 0 40 EKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)cc1 248086314 KVTYBJKOJWONMN-FPOVZHCZSA-N 346.455 5.299 0 40 EKAB CCCCNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 408970439 HTYVBRYGBVNKNI-UHFFFAOYSA-N 336.671 5.391 0 40 EKAB Cc1ccc(C)c(NCc2ccc(OCc3ccc(F)cc3)cc2)c1 409110935 AUUDTQWTBYYULF-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB Brc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 1670926 HOZCQURTVNWMAW-UHFFFAOYSA-N 333.228 6.018 0 40 EKAB C[C@H](/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 3080271 VBHLTLGBEKHVRJ-SYXCRGJESA-N 349.861 6.099 0 40 EKAB COc1ccc(C(c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 4127658 LJUKEFZXXQGYMH-UHFFFAOYSA-N 343.426 5.365 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)COc2cc(C)cc(C)c2C)cc1 4833521 VJWUBLMHFYAFKR-OAHLLOKOSA-N 325.452 5.143 0 40 EKAB Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c(C)c1 5138923 DOHYDMGDNNJHSV-UHFFFAOYSA-N 342.398 5.412 0 40 EKAB CCN(CC)CCC[C@H](C)Nc1cc(C)c2nc(C)cc(C)c2c1C 5839637 CWVBWYLYLRXCIV-KRWDZBQOSA-N 341.543 5.391 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)cc2)N3)C1 6934139 DKOGJQONIVXKGG-QLJPJBMISA-N 346.883 5.345 0 40 EKAB O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCCCCC1 8181516 RIIPOWYLHXMJFL-UHFFFAOYSA-N 348.421 5.057 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C)c(Cl)c1 8382751 BYPIIXHJHOLHRL-UHFFFAOYSA-N 339.822 5.453 0 40 EKAB Clc1ccc(CSc2ccc(Br)cc2)c(Cl)c1 9233524 DYJGFIXAAXBJKB-UHFFFAOYSA-N 348.092 6.048 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 13710737 YWMLYBAMBPEEID-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 13934108 GBKHUCZQOODUAV-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB Fc1ccc(CCNCc2ccc(-c3cccc(Cl)c3)o2)cc1 22076585 QEPXPKYCKHGXAV-UHFFFAOYSA-N 329.802 5.071 0 40 EKAB Cc1ccsc1C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 24876768 PEQIHIANBJPPKX-LJQANCHMSA-N 347.439 5.322 0 40 EKAB CCSc1ccccc1NC(=O)c1ccc(Cl)cc1Cl 44883847 KDNMSHXZEQIOIT-UHFFFAOYSA-N 326.248 5.358 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)c1 44900354 SGUUGHWHKFLRCG-ZWKOTPCHSA-N 347.458 5.101 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1cccc(F)c1 58168115 CFDHELMVMSEDLV-HSZRJFAPSA-N 332.484 5.189 0 40 EKAB Cc1cccc2cc(-c3noc(C4CCCCC4)n3)c(Cl)nc12 89261639 QTCWLDQZYCPCDM-UHFFFAOYSA-N 327.815 5.294 0 40 EKAB CC(C)C[C@H](NC(=O)COc1ccccc1C(C)C)c1ccccc1 222811133 JLUKNKYTMGYWSQ-FQEVSTJZSA-N 339.479 5.092 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)cc1C 225700421 XRIAHAFACXQUBB-HXUWFJFHSA-N 335.488 5.098 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)c1 225718097 WRZCJPRIEHYJPR-QZTJIDSGSA-N 339.479 5.072 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1C 225758625 MRXOTNMDNVBOHM-LJQANCHMSA-N 342.508 5.220 0 40 EKAB Cc1cccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 408625604 XPODYNFSPYCAFR-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB Fc1ccc(NCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1347443 ORQZDNLVAHAGGG-UHFFFAOYSA-N 336.193 6.005 0 40 EKAB Clc1ccc([C@@H](CCNCc2ccco2)Cc2ccccc2)cc1 2194715 DNQZBCYGPJQUOJ-IBGZPJMESA-N 339.866 5.439 0 40 EKAB CC[C@](C)(CCNC(=O)C[C@H](c1ccco1)C(C)C)c1ccccc1 2397909 IGOWIPYHANCEJJ-SIKLNZKXSA-N 341.495 5.284 0 40 EKAB CC(C)CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1 3459427 YXZJBSLKAXBUSV-UHFFFAOYSA-N 344.867 5.253 0 40 EKAB S=C(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1 3850320 GJSWKYAOWCAEBJ-UHFFFAOYSA-N 330.408 5.736 0 40 EKAB biogenic,in-vitro O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 3896885 ACCCMGMBDJTNMM-UHFFFAOYSA-N 331.459 5.407 0 40 EKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 4027718 JLMIEJPAIDUIPY-XBPIAWKYSA-N 344.326 5.005 0 40 EKAB CCc1ccc2c(c1)-c1c(s[s+]c1SC(C)=O)C(C)(C)N2 4329514 NPPPFTCFUZWZTJ-UHFFFAOYSA-N 336.527 5.619 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2cccs2)nc2cnccn12 4733454 CZPAJPSFFNGFJD-UHFFFAOYSA-N 334.448 5.072 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccccc2C)cc1 8772418 QLOPGYDHFAWIGM-UHFFFAOYSA-N 347.414 5.438 0 40 EKAB O=[N+]([O-])/C(Cl)=C(/Sc1ccccc1)C(Cl)=C(Cl)Cl 12436729 OGKBNGLIROMCEK-CSKARUKUSA-N 345.034 5.349 0 40 EKAB CC[C@H](C)Oc1ccc(NCCOc2cc(C)ccc2C(C)C)cc1 19737516 ASCXJRUFSGECED-SFHVURJKSA-N 341.495 5.787 0 40 EKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1(c2ccccc2)CCCC1 20069103 POLPGHNZUAZXSN-MRXNPFEDSA-N 337.438 5.005 0 40 EKAB COc1cc2ccccc2cc1C(=O)N[C@H](CC(C)C)c1ccccc1 20486362 HKECCIMCXFSAIP-OAQYLSRUSA-N 347.458 5.366 0 40 EKAB O=C(CCCC(=O)c1cccs1)Nc1ccc(Cl)c(Cl)c1 24252788 RKVJCPHVDFCCJN-UHFFFAOYSA-N 342.247 5.047 0 40 EKAB Cc1ccc(-c2cc(C(F)F)nc(N[C@@H](C)C(C)(C)C)n2)cc1C 36613887 PPQLOMVJZNBHAB-ZDUSSCGKSA-N 333.426 5.545 0 40 EKAB C[C@@H](N(C)C(=O)c1ccc(-c2nc3ccccc3s2)o1)C(C)(C)C 48302117 GFWGKNCGCXWETG-GFCCVEGCSA-N 342.464 5.063 0 40 EKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccco2)c2ccccc21 100089089 QDONBTCJCBGXAN-HXUWFJFHSA-N 331.396 5.530 0 40 EKAB aggregator CC1(C)Nc2ccccc2-c2c1ss/c2=N/C1CCCCC1 100708455 BSXJDEIJBJBKOK-HTXNQAPBSA-N 330.522 5.371 0 40 EKAB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CCC[C@@H]12 248247077 MVFRQMVXJZISHF-AANPDWTMSA-N 328.496 5.347 0 40 EKAB Cc1cccc(COc2ccccc2/C=C2\C(=O)Nc3ccccc32)c1 409121369 YCTORFVPXBCKNX-ZHZULCJRSA-N 341.410 5.067 0 40 EKAB Clc1cccc(Nc2nc(-c3cccc4ccccc34)cs2)c1 206554 NYIAPDNZLKYVCG-UHFFFAOYSA-N 336.847 6.360 0 40 EKAB Cc1cccc2nc(-c3ccc(Cl)cc3)c(NC3CCCCC3)n12 319858 GLVFDENYBKHEQG-UHFFFAOYSA-N 339.870 5.708 0 40 EKAB CC(C)Oc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 507977 FVBJWRYTPINAJJ-UHFFFAOYSA-N 341.480 5.029 0 40 EKAB Cc1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1 3893244 VDQYRKOWYPPNAU-UHFFFAOYSA-N 344.439 5.109 0 40 EKAB C[C@H]1CC(C)(C)Nc2ccc(OCc3cccc4ccccc34)cc21 4608230 AWHHDBMYENAHPM-INIZCTEOSA-N 331.459 6.117 0 40 EKAB COc1ccc(-c2csc(/C=C/c3cccs3)n2)cc1OC 6047735 LKHPLQUZVRNQQL-SOFGYWHQSA-N 329.446 5.059 0 40 EKAB Cc1cc(C)c2c(CC(=O)Nc3cccc(Cl)c3C)coc2c1 6809784 YOPNXYLDXRDGQD-UHFFFAOYSA-N 327.811 5.193 0 40 EKAB Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)noc2C)c(Cl)c1 6825449 KETOMSSGKUOITG-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB C[C@@]12CC3CC(NCc4ccc(-c5ccccc5)o4)(C1)C[C@](C)(C3)C2 7524197 PBEPSJDPRFMXKI-SVIALIIXSA-N 335.491 5.785 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 8050726 HWYNBKRIZHUDGR-IBGZPJMESA-N 345.870 5.479 0 40 EKAB Fc1ccccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1 8787484 WXYLMGLKZQXGOF-UHFFFAOYSA-N 336.797 5.544 0 40 EKAB O=C(Nc1cccc2ccccc12)c1cccc2c(Cl)cccc12 9141490 QGUBMMYQORJTBG-UHFFFAOYSA-N 331.802 5.899 0 40 EKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2c(c1)CCC2 12930808 RRLBEFISMWMMQM-UHFFFAOYSA-N 327.855 5.206 0 40 EKAB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccsc1)CC(O)=N2 13553070 FEBHSGPKVDABTL-CQSZACIVSA-N 343.839 5.019 0 40 EKAB O=C(c1ccc(CSc2ccccc2)cc1)N1CCc2ccccc21 13646931 AUVIAXPUXRPVFU-UHFFFAOYSA-N 345.467 5.182 0 40 EKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)c(C)c3)no2)cc1C 20896700 LUSHHWUWWLVEKH-UHFFFAOYSA-N 341.794 5.139 0 40 EKAB CCCCN1C(=O)CC[C@@H](Sc2ccccc2)[C@@H]1c1ccccc1 65090591 WHLHRHFMMSWCOI-CTNGQTDRSA-N 339.504 5.311 0 40 EKAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)c2ccccc12 225839889 YHPTYRUMKOIHMN-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB O=C(COc1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 265238 GURBHWNAQSMFFO-UHFFFAOYSA-N 346.213 5.164 0 40 EKAB FC(F)(F)c1nc2ccccc2n1Cc1cccc2ccccc12 521824 BQNMUYGHHHRNJG-UHFFFAOYSA-N 326.321 5.257 0 40 EKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2CCC(C)C)cc1 543112 HHOMCEYOQQYOEI-UHFFFAOYSA-N 330.435 5.001 0 40 EKAB CC1(C)C2=C[C@@]3(C)N(CN2c2ccccc21)c1ccccc1C3(C)C 1592880 QQMLUCLEPLMHRD-HSZRJFAPSA-N 330.475 5.196 0 40 EKAB C[C@H]1C[C@H]1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 3416985 VYNCMUCZHHZJLJ-VHSXEESVSA-N 346.502 5.195 0 40 EKAB CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1Cl 3851810 VYRQSCXYBXXRPB-OAQYLSRUSA-N 348.833 5.191 0 40 EKAB biogenic CN1CCC[C@@H](C[C@H]2Oc3ccccc3Sc3ccccc32)C1 4128840 ZOXQYFLPDQGMDX-MAUKXSAKSA-N 325.477 5.003 0 40 EKAB CCCC[C@H](CC)C(=O)NCCC(c1ccccc1)c1ccccc1 4144146 YOBXNBWCORXMJJ-IBGZPJMESA-N 337.507 5.541 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2)N3)C1 4545445 DAUMQCRQHARPAL-ACCNSPFPSA-N 338.476 5.033 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2c(C)cccc2C(C)C)cc1 5752521 CLBYOYRBJRJCKI-UHFFFAOYSA-N 325.452 5.225 0 40 EKAB O=C(O)C/C(=C\c1cccc2ccccc12)c1nc2ccccc2s1 7155978 SMZCZJYHGJYUQV-FOWTUZBSSA-N 345.423 5.465 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1cccc2ccccc12 8382784 LRQYMHNWJKSCHN-UHFFFAOYSA-N 341.410 5.644 0 40 EKAB CC[C@H](C)Cn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13068584 LZDNQEVIQLDIQR-RBUKOAKNSA-N 348.534 6.433 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)cc(Cl)c1 13994617 LTFFETHSDPDOIL-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB COc1cccc2c1N(C(=O)c1cccc(Cl)c1)C(C)(C)C[C@H]2C 20569409 HLLGHFADSLEKIG-CYBMUJFWSA-N 343.854 5.281 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 22513671 DJENQKHHSLWHSQ-FQEVSTJZSA-N 325.452 5.134 0 40 EKAB Cc1ccccc1-n1c(-c2ccc(Br)cc2)c[nH]c1=S 26423118 WLTZLNJJRGKCII-UHFFFAOYSA-N 345.265 5.273 0 40 EKAB c1ccc(CSc2nsc(SCc3ccccc3)n2)cc1 68675241 WKBGIDNQDLSFSF-UHFFFAOYSA-N 330.503 5.123 0 40 EKAB CCCCN1CCCC[C@H]1c1cccnc1Sc1ccccc1 72217686 KMYYOUIBNRKFPK-IBGZPJMESA-N 326.509 5.560 0 40 EKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc2[nH]ccc2c1 72221762 KCALJOKQHHXQFI-HXUWFJFHSA-N 334.419 5.032 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1SC 113970045 YEPZGBHBQXKTAQ-INIZCTEOSA-N 349.883 5.166 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)cccc1C 222905186 VMGDOYIJXQGYLB-IBGZPJMESA-N 339.479 5.397 0 40 EKAB CC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223134006 LTNKFYPXLGCGAD-QHCPKHFHSA-N 349.518 5.382 0 40 EKAB COc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C 225148917 LLJDPWCZPSNHBR-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB Cc1ccccc1C1(NC(=S)Nc2cccc(Cl)c2)CCCC1 225844445 FZSUVPXKTTWSIG-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB Cc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2C)cc1C 409047714 QDSJIQPMYCZCOM-UHFFFAOYSA-N 328.868 6.132 0 40 EKAB Cc1ccccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 362469 RXPNCLKVDXADBU-UHFFFAOYSA-N 325.452 5.259 0 40 EKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 376297 CNJHGMKRPIYEIZ-NTCAYCPXSA-N 333.362 5.270 0 40 EKAB Clc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 2146394 OPZKEGSYQSVNLU-UHFFFAOYSA-N 341.841 6.736 0 40 EKAB c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)c3c2CCO3)cc1 2184600 QSCNBHFBKQOLME-UHFFFAOYSA-N 349.433 6.018 0 40 EKAB Cc1cccc(-c2nnc(SCc3cccc4ccccc34)n2C)c1 2439679 HSAXDCVTTAOPIA-UHFFFAOYSA-N 345.471 5.236 0 40 EKAB Clc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1ccccc1 4898756 BNNUOKKJQGYWBV-NRFANRHFSA-N 332.834 5.696 0 40 EKAB Cc1ccc(CNCc2ccccc2OCc2ccccc2F)cc1 7537852 XYMOHAWDLKLSFJ-UHFFFAOYSA-N 335.422 5.003 0 40 EKAB CCOc1ccccc1Oc1ncnc2scc(-c3ccccc3)c12 8944274 ZEBRDOAONCOULB-UHFFFAOYSA-N 348.427 5.549 0 40 EKAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 10701057 UYRRCHZLGIKZRI-UHFFFAOYSA-N 343.470 5.075 0 40 EKAB CC(C)CC[C@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 12690986 DOLRJYUMALLQDS-HNNXBMFYSA-N 329.415 5.173 0 40 EKAB CCCCCCn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 13564068 DDAXXMWUGOIMLR-KRWDZBQOSA-N 349.478 5.108 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13708596 DCDKDBOQPNXFCL-KRWDZBQOSA-N 347.458 5.588 0 40 EKAB Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)cc1 35615775 RUXVTZVYYMGRPG-UHFFFAOYSA-N 335.794 5.104 0 40 EKAB O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1cccc2ccccc12 58168081 NQDOCUQINQTLLN-XMMPIXPASA-N 348.389 5.308 0 40 EKAB O=C(CCc1cc(F)c(F)c(F)c1)c1c(Cl)cccc1Cl 85652022 BELCSHDOTHGRBP-UHFFFAOYSA-N 333.136 5.226 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1Cl 225344276 CQHSLJVGNSCIJO-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB COc1ccc(Cl)c(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1 228948690 RLORNUAYXFRKDW-UHFFFAOYSA-N 348.830 5.125 0 40 EKAB Clc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 144621 VRWVIFHCKUXVMD-LJQANCHMSA-N 331.806 5.329 0 40 EKAB O=C1C[C@@H](c2c(Cl)cccc2Cl)c2ccc3ccccc3c2N1 182122 NDVXIOAQMLREBR-CQSZACIVSA-N 342.225 5.621 0 40 EKAB O=C(Nc1ccccc1F)Oc1ccc(OCc2ccccc2)cc1 398472 ZTPVLVFBXKNPLJ-UHFFFAOYSA-N 337.350 5.016 0 40 EKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccccc1 534272 KZJSHQMHKKDMCM-QFIPXVFZSA-N 325.415 5.090 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 568902 FITMRSLNJOQFNG-KRWDZBQOSA-N 339.479 5.649 0 40 EKAB CSc1ccc(CCC(=O)c2cc(Cl)cc(Cl)c2)cc1 2516683 VBBABOBQUZOVDD-UHFFFAOYSA-N 325.260 5.531 0 40 EKAB C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 3416991 VYNCMUCZHHZJLJ-UWVGGRQHSA-N 346.502 5.195 0 40 EKAB CCCCCC1CCC(c2ccc(-c3ccc(CC)cn3)cc2)CC1 3894875 MNNVPURNXRNRHQ-UHFFFAOYSA-N 335.535 7.165 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 5865630 BWXJNVJZFAIZLB-KRWDZBQOSA-N 331.415 5.068 0 40 EKAB Cc1ccc(-c2noc([C@@H](C)Nc3ccc(Cl)cc3)n2)cc1F 12739769 HBWKTJIKWQIBDE-LLVKDONJSA-N 331.778 5.011 0 40 EKAB Cc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)c(C)c2)cc1 12970566 DCKNFBDWCCKSMA-UHFFFAOYSA-N 343.348 6.177 0 40 EKAB Cc1ccc([C@H](NC(=O)Nc2cccc(C)c2)c2cccs2)cc1 12998918 LXBPDGAZENCOPV-IBGZPJMESA-N 336.460 5.276 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1C 13930884 PFBIOCXQASUSIH-CQSZACIVSA-N 332.900 5.313 0 40 EKAB CC(C)(C)c1ccc(CNc2ccc(Br)cc2F)cc1 19231568 BCOPWQVDPLOCMJ-UHFFFAOYSA-N 336.248 5.498 0 40 EKAB FC(F)(F)c1cnc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1 20031484 UBFKMJSSZSEECA-UHFFFAOYSA-N 342.531 5.853 0 40 EKAB C[C@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1cccc(F)c1 40067854 FIABNPBLADAHAV-UONOGXRCSA-N 340.398 5.036 0 40 EKAB CCCCCN(CCCCC)c1ccc(Br)cc1F 95915696 GUCZYTNTTJLJIA-UHFFFAOYSA-N 330.285 5.775 0 40 EKAB C1=Cc2ccccc2/C1=C\c1ccc(/C=C2/C=Cc3ccccc32)cc1 104142890 WTNQAYAPMKTSFL-BOYKQRMESA-N 330.430 6.821 0 40 EKAB C/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914882 FGSFYZNXYHDZKI-WLLPFJGRSA-N 344.539 5.907 0 40 EKAB O=C(Nc1ccc(OC2CCCC2)cc1)Nc1cccc(Cl)c1 222630234 KHCBXZMGZNQEDK-UHFFFAOYSA-N 330.815 5.305 0 40 EKAB C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCCC2 223003092 ZSYLRSIWMLQWDT-SFHVURJKSA-N 347.502 5.255 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1C 223396981 ZTKXZIROJAIHKL-OAHLLOKOSA-N 347.911 5.235 0 40 EKAB CCc1ccc([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 225552977 LOBRDYGGRHNFPD-AWEZNQCLSA-N 347.911 5.013 0 40 EKAB CC1=CC(C)=Nc2ccccc2N=C(C)C=C(C)Nc2ccccc2N1 1547138093 WRBYQWOOELKMGG-UHFFFAOYSA-N 344.462 6.217 0 40 EKAB CCOC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 102001 BHCZANKDQKMIBU-UHFFFAOYSA-N 325.795 5.040 0 40 EKAB O=C(Nc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 141109 YYFJFAIVVWKQND-UHFFFAOYSA-N 338.794 5.776 0 40 EKAB Brc1ccc2ncc(-c3ccc4ccccc4n3)cc2c1 173028 SSKGQEYROBTJEU-UHFFFAOYSA-N 335.204 5.213 0 40 EKAB Cc1ccc2nc(-c3ccc(N(C)C)cc3)c(NC3CCCCC3)n2c1 320037 FCUOVHYMWRJGNR-UHFFFAOYSA-N 348.494 5.120 0 40 EKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ccccc1 3338662 NCXHLRKFAQVSMH-SFHVURJKSA-N 329.443 5.105 0 40 EKAB Cc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 6478912 PAMXKTQXORWBLB-UHFFFAOYSA-N 328.626 5.136 0 40 EKAB CCCCCNCc1ccc(OCc2cccs2)c(OCC)c1 7261300 NUYRLCLFZVHTMO-UHFFFAOYSA-N 333.497 5.006 0 40 EKAB O=C(c1ccccc1)c1c(-c2ccccc2)cn2c1[nH]c1ccccc12 12542705 GPVLZRLBNXRXQL-UHFFFAOYSA-N 336.394 5.319 0 40 EKAB Clc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 16431173 DSIFTNKCOBVGEO-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB CCCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 19074403 PQUNLFAWLPPDJE-UHFFFAOYSA-N 337.341 5.137 0 40 EKAB Cc1ccccc1NC(=O)c1cccnc1Nc1ccc(C(C)C)cc1 22072528 MPNNCACJVMZJAD-UHFFFAOYSA-N 345.446 5.509 0 40 EKAB CCCCCCc1ccc(C(=O)CCCCCC(=O)OCC)cc1 43214338 GRSROGKHXKYKOY-UHFFFAOYSA-N 332.484 5.506 0 40 EKAB CC(C)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 44885028 FHANQUSCWYQHRB-QHSLDKKCSA-N 327.855 5.257 0 40 EKAB Cc1ccccc1C1(c2ccccc2C)SC(=S)c2ccccc21 59416338 AMBNAHFKZFKEPN-UHFFFAOYSA-N 346.520 6.018 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cc(F)ccc1Cl 71761782 INJYLEWIGLICKC-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCSc1ccccc1NC(=O)c1oc2cc(C)ccc2c1C 80344481 YDCIMHYGZKUDRL-UHFFFAOYSA-N 325.433 5.414 0 40 EKAB CCCCCc1cc(O)c2c(c1O)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 96328957 VUACIIASMNRNBB-HZPDHXFCSA-N 330.468 5.441 0 40 EKAB CC[C@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(C)c(C)c1 219394525 DJEOOOQXCQMSNF-NRFANRHFSA-N 347.458 5.346 0 40 EKAB Cc1ccc(CSCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 223400272 QTUFDIJCYWASNO-UHFFFAOYSA-N 347.483 5.119 0 40 EKAB Cc1ccc(CCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C 224967192 AMAJLXANPLNNBL-LJQANCHMSA-N 337.507 5.109 0 40 EKAB Cc1nc2cc(-c3nc4ccccc4s3)ccc2n1-c1ccccc1 264413 XYUWJCXWENDQJR-UHFFFAOYSA-N 341.439 5.611 0 40 EKAB Clc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)c(Cl)c1 499914 ICWKEKKINJXTCT-UHFFFAOYSA-N 344.245 5.204 0 40 EKAB Clc1ccc(SCCCCSc2ccc(Cl)cc2)cc1 1724600 BQIXZVKTIWEDJR-UHFFFAOYSA-N 343.344 6.658 0 40 EKAB CCCCc1ccc(NC(=O)c2cccc(NC(=O)CCC)c2)cc1 2153622 UBENMCCRVORZHI-UHFFFAOYSA-N 338.451 5.020 0 40 EKAB biogenic O=C(c1cc2ccccc2o1)N1CCC[C@H]1c1nc2ccccc2s1 3443598 YVVYWIQUJHVOEB-HNNXBMFYSA-N 348.427 5.020 0 40 EKAB Cn1c(C(=O)Nc2ccccc2-c2ccccc2)cc2sccc21 4971137 LDIUGONMFKHSCM-UHFFFAOYSA-N 332.428 5.159 0 40 EKAB O=C(CSc1ccccc1Cl)Nc1ccccc1C(F)(F)F 5638050 PXDJGUHZHMNYBE-UHFFFAOYSA-N 345.773 5.090 0 40 EKAB Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]34CO[C@@H]2[C@@H]14 5765140 UGGAILYEBCSZIV-ITJSPEIASA-N 342.479 5.146 0 40 EKAB biogenic C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 5861468 UARCRKQJFKRKLN-SECBINFHSA-N 344.625 5.053 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CSCc1ccc(F)cc1 7146337 ZIVNENYJGWACRW-UHFFFAOYSA-N 331.456 5.129 0 40 EKAB Cc1c(-c2ccc(O)cc2)nc2ccc(Cl)cc2c1-c1ccccc1 7846913 ULNXIKPQPXKZBD-UHFFFAOYSA-N 345.829 6.236 0 40 EKAB Clc1cccc(-c2nc(-c3cccs3)[nH]c2-c2ccccc2)c1 8743950 CZIDRSGDABHKHD-UHFFFAOYSA-N 336.847 6.126 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 14665151 MSOFZHBDZQXRLP-MRXNPFEDSA-N 325.452 5.007 0 40 EKAB Cc1nn(-c2ccccc2)c2nc3ccccc3c(-c3ccccc3)c12 16266168 FVXJGQSTWJLHGJ-UHFFFAOYSA-N 335.410 5.549 0 40 EKAB Cc1ccsc1-c1nc(-c2ccc3c(c2)OCCCO3)cs1 28334330 KNHTYNNJVVLFFG-UHFFFAOYSA-N 329.446 5.008 0 40 EKAB COc1ccc(Cl)cc1NC(=O)Nc1ccccc1C(F)(F)F 51354250 FVPSPYBASVDORB-UHFFFAOYSA-N 344.720 5.011 0 40 EKAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc2ccccc12 65523609 FRJOBRDMSJAYDK-OAQYLSRUSA-N 330.431 5.517 0 40 EKAB C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C(C)(C)C)cc1 223626312 MZEKXPYKVAHONK-ZDUSSCGKSA-N 347.861 5.197 0 40 EKAB CCc1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224595844 UNYIGGQFNPPXOH-UHFFFAOYSA-N 343.426 5.720 0 40 EKAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@@H](CCc3ccccc3)CC[C@@H]21 257314805 UYMORYRMYTVTPS-XKGZKEIXSA-N 338.447 5.032 0 40 EKAB O=C(NCc1ccccc1)c1ccc(CSCc2ccccc2)cc1 408767207 KDTBLRIONRCPMS-UHFFFAOYSA-N 347.483 5.050 0 40 EKAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)c1ccc(F)cc1 412048 SDBGNVZODAKSCG-UHFFFAOYSA-N 339.435 5.274 0 40 EKAB O=C(CCc1ccc(Cl)cc1)c1ccc(Br)c(F)c1 2517290 GVZPDKBDYAHRDO-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB Cc1ccc(Sc2nc(C)nc3sc4c(c23)CCCC4)c(C)c1 3384208 UQLKKBGPEVFVIC-UHFFFAOYSA-N 340.517 5.647 0 40 EKAB CC[C@@H](OC(=O)c1ccccc1)C(C)(C)/C=C/[C@H]1CC=C(C)C1(C)C 3852079 YFVLNVDXVHNQCT-KTEGJIGUSA-N 340.507 6.197 0 40 EKAB Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 3904765 NUZCYXGMCPEHFY-UGKGYDQZSA-N 344.414 5.139 0 40 EKAB Cc1ccc(CO[C@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@H]23)c(C)c1 4110305 GOYSMGSBVGBIAH-VLQPXKRTSA-N 334.912 5.391 0 40 EKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCCCC1 4278867 SZKYAWUBTJKGIR-UHFFFAOYSA-N 340.492 5.208 0 40 EKAB CCC(=O)Oc1cccc2ccc(/C=C/c3ccc(Cl)cc3)nc12 4361641 FRNAISFYFQJBNX-XYOKQWHBSA-N 337.806 5.374 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2)N3)C1 4545386 DHNIILAORDDCBP-HWPZZCPQSA-N 346.883 5.345 0 40 EKAB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)cc1)Sc1ccccc1N2 4747375 XSXKSSNTTTUTRC-GOSISDBHSA-N 339.391 5.026 0 40 EKAB Clc1ccc(-c2nc3ccccc3n2CCC2CCCCC2)cc1 5547708 HPUILTFQIDNUGJ-UHFFFAOYSA-N 338.882 6.327 0 40 EKAB CCc1nc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2s1 5674515 KNXHECIWFQIPJP-UHFFFAOYSA-N 332.428 5.264 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 7652097 JFNJSEMAZCUWRW-VIFPVBQESA-N 344.625 5.053 0 40 EKAB CCCCCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 13564066 DDAXXMWUGOIMLR-QGZVFWFLSA-N 349.478 5.108 0 40 EKAB CCCCc1ccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)cc1 15859118 XBTCZAGEBOVIKN-UHFFFAOYSA-N 331.463 5.847 0 40 EKAB C[C@@H](CNCc1ccccc1Cl)Oc1ccc(Cl)cc1Cl 19737600 NIYICYTYFFZBBW-NSHDSACASA-N 344.669 5.204 0 40 EKAB Clc1ccc(OCCNc2ccc(Oc3ccccc3)cc2)cc1 19737692 JIFVZGJSRHLBET-UHFFFAOYSA-N 339.822 5.623 0 40 EKAB Cc1ccccc1Nc1ncccc1C(=O)Nc1c(C)cccc1C 22073106 JHBUVWLGTVOVOU-UHFFFAOYSA-N 331.419 5.003 0 40 EKAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccccc1-c1ccccc1 23055080 PEKXSRXPVBTALV-UHFFFAOYSA-N 327.427 5.024 0 40 EKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCc2ccccc21 32760876 YQUMNCLGTLEORB-HNAYVOBHSA-N 333.431 5.072 0 40 EKAB O=[S@](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl 58131892 SLHFTDWJMMTRCI-IBGZPJMESA-N 333.667 5.096 0 40 EKAB Clc1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 73638113 IPNGEQJEDJTLLS-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB FC(F)Oc1cccc(NCc2cnc(-c3ccsc3)s2)c1 84655648 CMQVPIOXFHQUGW-UHFFFAOYSA-N 338.404 5.085 0 40 EKAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 100994586 CUOJJHDEHUPGNT-LGFNAOKASA-N 342.266 5.757 0 40 EKAB Cc1ccc([C@H]2Sc3ccccc3N=C3C[C@H](C)CC(O)=C32)cc1 102602468 VATRZACVUICDRY-LHSJRXKWSA-N 335.472 6.157 0 40 EKAB CC[C@H](NC(=O)c1ccccc1SC)c1ccc2c(c1)CCCC2 223023755 HAHUNTARWMKOEY-IBGZPJMESA-N 339.504 5.168 0 40 EKAB CNc1cc(C)c2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 226272094 CXXYAXDPRLGTNF-UHFFFAOYSA-N 337.206 5.160 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 1560410171 ARWNSWBTYPTHAM-NHFPKVKZSA-N 348.510 5.942 0 40 EKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1CCC1 6220344 BLSLRLARTINQKR-UHFFFAOYSA-N 334.444 5.216 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1C 8040923 QFPJLXPWQSQZER-GOSISDBHSA-N 345.442 5.376 0 40 EKAB CCOc1cc(CNCC(C)C)ccc1OCc1ccc(Cl)cc1 8254518 PMHOWLUIYVNNKL-UHFFFAOYSA-N 347.886 5.063 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 13788303 VKGOKSYEQMUSRQ-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 14006955 IZSZPTKCYUVKOO-SECBINFHSA-N 344.625 5.053 0 40 EKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 15682709 FSEHGKPVXYWQIG-JTQLQIEISA-N 326.248 5.113 0 40 EKAB COc1ccc(/C=C\c2cccc(/C=C/c3ccc(OC)cc3)n2)cc1 17299961 VUCBVXIRDFJBOX-VOFKWTQNSA-N 343.426 5.440 0 40 EKAB CCCCOc1ccccc1NCc1ccc(-c2ccccc2)cc1 19738480 NIQMWUQLWQEGCT-UHFFFAOYSA-N 331.459 6.145 0 40 EKAB CCOc1ccc2[nH]c(C)c/c(=N/c3ccc([C@H](C)CC)cc3)c2c1 41127705 YUDOYJVDKUZBTF-OAHLLOKOSA-N 334.463 5.621 0 40 EKAB CC[C@@H](C(=O)Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1 44781860 DGMHLVAGLZIDFN-QGZVFWFLSA-N 328.415 5.453 0 40 EKAB c1ccc(-c2cc(COc3ccc(Oc4ccccn4)cc3)no2)cc1 58376864 UNQLKSFGUDHEHP-UHFFFAOYSA-N 344.370 5.108 0 40 EKAB Clc1ccc(-c2nc3cc(Cl)ccc3[nH]2)c(Br)c1 73638140 ROZNHCAOOKQWAN-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB C[C@@H](c1ccc(Cl)c(Cl)c1)[S@](=O)Cc1cccc(F)c1 95962097 SWPFUBRNANOLKO-FVINQWEUSA-N 331.239 5.142 0 40 EKAB [C]1N(C23CC4CC(CC(C4)C2)C3)C=CN1C12CC3CC(CC(C3)C1)C2 100032431 HPESDZAFNBMVII-UHFFFAOYSA-N 336.523 5.009 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 219609441 RNHFGEDUAQPPJC-INIZCTEOSA-N 349.883 5.248 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1cccc2ccccc12 224455338 IVOQWTOIHNMFPA-FXAWDEMLSA-N 341.495 5.330 0 40 EKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 225508820 QJBQXLHWBXCQCR-UHFFFAOYSA-N 337.463 5.234 0 40 EKAB Cc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1Cl 225852426 CCGUOGWOHKPPFV-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB O=C(COCc1ccccc1)c1cc(Cl)cc(Cl)c1Cl 309995918 BPXUSVNKFSCRCZ-UHFFFAOYSA-N 329.610 5.046 0 40 EKAB O=C(CCSc1ccccc1)Nc1ccccc1Oc1ccccc1 408562593 CURKLYSZIACEQP-UHFFFAOYSA-N 349.455 5.600 0 40 EKAB CCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 3088124 DBNSDLRWKCXYPO-UHFFFAOYSA-N 344.842 5.111 0 40 EKAB CCc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 3440020 GHVWDHXCCFHYDF-UHFFFAOYSA-N 346.430 5.010 0 40 EKAB CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)cc1 4471691 WAQSCZXZIAXXAX-JZJYNLBNSA-N 349.286 5.776 0 40 EKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cccc(Cl)c1 6218191 BRAROSIVNXQATR-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB CC(C)c1ccc(NC(=S)Nc2ccc(C(C)(C)C)cc2)cc1 6239295 FSGALIXHTFNZMI-UHFFFAOYSA-N 326.509 5.916 0 40 EKAB Cc1cc(SCC(=O)c2cc3ccccc3o2)nc2ccccc12 6330627 LDEZHWFQZKSQEN-UHFFFAOYSA-N 333.412 5.264 0 40 EKAB aggregator Cc1cc(Cl)cc(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 6922086 CLBXYAMRYAGJNB-UHFFFAOYSA-N 342.748 5.620 0 40 EKAB Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(C)o1 6967495 RIOAXHIXOASWCL-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)C12CC3CC(CC(C3)C1)C2 16249233 PBOJBADEZDYHSE-UHFFFAOYSA-N 335.447 5.095 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1 20452979 SRPDEKNLIGCHSU-GNFOSXPUSA-N 345.442 5.314 0 40 EKAB Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)cc1 27663455 XGPLFAIHDHCNEK-UHFFFAOYSA-N 344.458 5.360 0 40 EKAB Cc1ccccc1/C=C1/C[C@H](C)Cc2c1nc1ccccc1c2C(=O)O 33382893 PTURXXXCONTOCR-ZSRMJVKVSA-N 343.426 5.364 0 40 EKAB CS[C@H](C)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 58129841 JVYHMMWRWOQFEJ-LLVKDONJSA-N 337.897 5.181 0 40 EKAB COc1ccc(Cl)cc1NC(=S)Nc1cccc2c1CCCC2 71761623 UNRLLGBTHUASKK-UHFFFAOYSA-N 346.883 5.036 0 40 EKAB c1ccc(/N=c2\scc(-c3ccccc3)n2Cc2ccco2)cc1 100306258 XWPYBTBJWJOOAF-MRCUWXFGSA-N 332.428 5.090 0 40 EKAB Cc1ccc(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1C 409172468 ISHMPRUTNVSCMF-UHFFFAOYSA-N 342.398 5.813 0 40 EKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2sccc2C)cc1 92127 PGNGVHYRYQCUHH-LJQANCHMSA-N 334.444 5.136 0 40 EKAB Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1Cl 362199 NSCKPKJGXCCQRX-UHFFFAOYSA-N 349.861 5.809 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 505760 SSOGWZXDLHWGJU-CYBMUJFWSA-N 331.843 5.179 0 40 EKAB Cc1cc(C)c(C(Sc2ccc3ccccc3c2)=S=O)c(C)c1 2077468 GNQDZVKZYJBJFZ-UHFFFAOYSA-N 338.497 5.248 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1(c2ccccc2)CCCC1 2512628 HUINKAIUOHSCQL-UHFFFAOYSA-N 334.246 5.444 0 40 EKAB Cc1ccc2c(c1)C(c1ccccc1)=NN=C(c1ccc(Cl)cc1)N2 6089076 BBLRFPYVYNNTGG-UHFFFAOYSA-N 345.833 5.273 0 40 EKAB CCc1cccc(C)c1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 6790729 WJAAGRTVNWHUJR-ZHACJKMWSA-N 333.353 5.228 0 40 EKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccs2)o1 7001887 KNLZILPFVISIRL-AWEZNQCLSA-N 348.427 5.605 0 40 EKAB CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc2ccccc12 11005239 ORJUIBBXPFXBPJ-UHFFFAOYSA-N 347.443 5.113 0 40 EKAB Cc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 14268871 NUQGWOSVUSCVLB-UHFFFAOYSA-N 342.870 5.137 0 40 EKAB O=C(Nc1cccs1)Nc1nc(-c2cc3ccccc3o2)cs1 22479698 YIBKZIVHFJJWDW-UHFFFAOYSA-N 341.417 5.262 0 40 EKAB CC(C)Oc1ccc([C@@H](CCN[C@H]2CCOC(C)(C)C2)C(C)C)cc1 32124176 ULEQXDNKKGBCBW-FPOVZHCZSA-N 347.543 5.151 0 40 EKAB biogenic CCCCCCOc1ccc(C(=O)c2cnc3ccccc3c2)cc1 45028959 SADSIXONBBSKNR-UHFFFAOYSA-N 333.431 5.425 0 40 EKAB COc1c(Cl)cc(-c2nc3c(Cl)cccc3s2)cc1Cl 45920890 BUKFNUIEQQHHFF-UHFFFAOYSA-N 344.650 5.932 0 40 EKAB CCOc1cc2c(-c3ccccc3)cc(C(F)(F)F)nc2cc1OC 65474542 RBDGRSNSDWVLCR-UHFFFAOYSA-N 347.336 5.328 0 40 EKAB Cc1cc(C)c2nc(-c3ccc(Br)c(Cl)c3)[nH]c2c1 70462774 ZDVVELCTTSIXCV-UHFFFAOYSA-N 335.632 5.263 0 40 EKAB FC(F)C(F)(F)Oc1cccc(-c2cccc(Br)c2)c1 95740181 KYCVEQGYPKCWCH-UHFFFAOYSA-N 349.121 5.353 0 40 EKAB COc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 224429249 PNRUPOKGBLEDTR-CYBMUJFWSA-N 345.870 5.137 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1C 225707966 POCJYDBCFRLORB-INIZCTEOSA-N 342.508 5.138 0 40 EKAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225839960 DFCUWPIKHMDXLU-OAQYLSRUSA-N 343.467 5.161 0 40 EKAB Cc1ccccc1C1(NC(=S)Nc2ccc(F)c(F)c2)CCCC1 225860522 XGDHNLDQIADBMO-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CC2)c2ccccc12 225940232 UWUJFIDLKDOWSZ-UHFFFAOYSA-N 345.442 5.297 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408621005 NHYNERJOFTXRFP-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB O=C(c1cn(CCOc2ccccc2)c2ccccc12)C1CCCCC1 561021 MHGXSEPZYSBVHK-UHFFFAOYSA-N 347.458 5.483 0 40 EKAB COc1ccc(/C(=C/CN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 1615884 UNGBWSHKZGGGND-NMGFGJDYSA-N 347.502 5.249 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1777388 XSWSAIIXYBGEIU-XVNBXDOJSA-N 340.637 5.607 0 40 EKAB CC(C)CN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC(C)C 2273479 WPYQUWOMOGNOTA-UHFFFAOYSA-N 347.587 6.101 0 40 EKAB O=C(Nc1ccccc1)c1cc2sccc2n1Cc1ccccc1 4970882 GMPDMKPYHADXSP-UHFFFAOYSA-N 332.428 5.003 0 40 EKAB Cn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 5234787 NJRKVGWQEQWLHC-HXUWFJFHSA-N 330.456 5.455 0 40 EKAB CC(C)(C)c1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1 5266962 ZJLOBUVCWXBORX-UHFFFAOYSA-N 347.487 5.506 0 40 EKAB Cc1ccc(-c2nnc(N3CCC[C@H](C)C3)c3ccccc23)cc1C 6785899 RZRRBFWEYZNRGM-HNNXBMFYSA-N 331.463 5.150 0 40 EKAB COc1ccc(/C=C(\Cl)c2ncc(-c3ccc(F)cc3)o2)cc1 11334411 VESNTNNFCUSAND-YBEGLDIGSA-N 329.758 5.226 0 40 EKAB Cc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1 13739479 NTXDYVJPWOHEKP-UHFFFAOYSA-N 342.467 6.529 0 40 EKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 14030969 UYSPADYEPZASRQ-UHFFFAOYSA-N 347.414 5.520 0 40 EKAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1cccs1 14085812 VGXKMPRCRILRTG-HNNXBMFYSA-N 341.407 5.125 0 40 EKAB C/C(Cl)=C\Cc1c(C)[nH]c2ccc(Br)cc2c1=S 19832518 KGTRTIZLVRXGHW-FPYGCLRLSA-N 342.689 5.653 0 40 EKAB CCCC[C@H](CC)COC(=O)CCC(=O)OC[C@H](CC)CCCC 31350698 WMNULTDOANGXRT-HDICACEKSA-N 342.520 5.286 0 40 EKAB CCc1ccc2oc(Nc3nc4c(Cl)cccc4s3)nc2c1 57352902 NEBAPTYOGLENNE-UHFFFAOYSA-N 329.812 5.397 0 40 EKAB O=C(NCc1csc2ccccc12)c1occc1-c1ccccc1 57837518 OHXRXHFKLSKRSV-UHFFFAOYSA-N 333.412 5.091 0 40 EKAB Nc1cc(Cl)ccc1NC(=O)c1sc2ccccc2c1Cl 226347286 NAINYISRPIGXFF-UHFFFAOYSA-N 337.231 5.043 0 40 EKAB CCc1cccc2c(C=O)cn(CCOc3cc(C)ccc3C(C)C)c12 409200135 QMEHMQGVSWGVKS-UHFFFAOYSA-N 349.474 5.527 0 40 EKAB CC[C@H](C(=O)c1ccc(OC(F)(F)C(F)F)cc1)c1ccccc1 575361103 QUPRJOOWPKKVAW-HNNXBMFYSA-N 340.316 5.300 0 40 EKAB CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2[C@H](C)CC)c1 367257 SKDQPRZJOICKNR-OAHLLOKOSA-N 338.451 5.191 0 40 EKAB CCc1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl 380975 UUHRXJRPYYUAJD-UHFFFAOYSA-N 333.815 5.509 0 40 EKAB CCc1ccccc1NC(=O)c1sc2cc(C)ccc2c1Cl 411412 KBZOGXKBZCMHOX-UHFFFAOYSA-N 329.852 5.678 0 40 EKAB Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2cccc(C)n12 426788 QVYZFFPQNHEJDT-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB CC(=O)Nc1c(Cl)cc(Cl)c2c1Cc1cc(Cl)ccc1-2 1603930 AXBNKCOESWZUEP-UHFFFAOYSA-N 326.610 5.176 0 40 EKAB CC1(C)COC(CCCCC(=O)c2c(Cl)cccc2Cl)OC1 2518147 HKVDMSDGJIMSLP-UHFFFAOYSA-N 345.266 5.136 0 40 EKAB Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl 2521632 REHONNLQRWTIFF-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic,in-vitro CCCC[C@@H](CC)COP(Oc1ccccc1)Oc1ccccc1 2545262 XKZGIJICHCVXFV-GOSISDBHSA-N 346.407 6.604 0 40 EKAB CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccc(Cl)cc4)cn23)C1 2691580 ODWAIEVAKSJMDH-CYBMUJFWSA-N 344.911 5.867 0 40 EKAB Cc1ccc(C(C)C)c(OCCSc2nc3ccccc3[nH]2)c1 3021132 YDKOCXOYWINAEJ-UHFFFAOYSA-N 326.465 5.166 0 40 EKAB Cc1cc(C)c2c(n1)sc1c(N[C@@H](C)c3ccccc3)ncnc12 6759273 HCEKXKZKHDFBFN-ZDUSSCGKSA-N 334.448 5.029 0 40 EKAB Cc1ccc(Cl)c(N/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 6814090 KWNDMPJWLRLUTH-VOTSOKGWSA-N 340.637 5.764 0 40 EKAB C[C@H](CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 6851172 FEOOVVNQLOOTQZ-QGZVFWFLSA-N 331.415 5.611 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ccc(F)cc1 7668703 ORCFUVLIBFTIHF-UHFFFAOYSA-N 345.483 5.803 0 40 EKAB Clc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 13123809 BWEOORAOMZGAAD-UHFFFAOYSA-N 341.823 5.164 0 40 EKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 13709971 HDHKQMWEMROBCN-VIFPVBQESA-N 344.625 5.053 0 40 EKAB Cc1cccc(C)c1NC(=O)[C@@H](C)SC/C=C/c1ccccc1 15493882 ZUBBKESKUNQJHZ-MSGBMKDASA-N 325.477 5.077 0 40 EKAB Clc1ccc(CCNCc2ccc3ccccc3c2)c(Cl)c1 27526961 YYYHAXUZWFWIQF-UHFFFAOYSA-N 330.258 5.479 0 40 EKAB CCCn1c([C@H](C)Oc2ccc(Cl)c(C)c2)nc2ccccc21 40237145 LUDWDGUMPZPWKD-AWEZNQCLSA-N 328.843 5.548 0 40 EKAB CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 48278004 SMSWMYYZVSDVOX-OAHLLOKOSA-N 348.899 5.035 0 40 EKAB Clc1cccc(OCc2ccc(Br)cc2)c1Cl 70133513 RRBFUCJNBORCCJ-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CCCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 70462040 VWWWCFZVEPBQCK-UHFFFAOYSA-N 338.407 5.062 0 40 EKAB CCC1CCC(c2ccccc2C(=O)Oc2ccc(C#N)cc2)CC1 143182244 MDEKOHQKBDOYAK-UHFFFAOYSA-N 333.431 5.461 0 40 EKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)cc2C)cc1C(C)C 223378908 PFFSMQLFIMFCQY-QGZVFWFLSA-N 339.479 5.235 0 40 EKAB Clc1ccccc1COc1ccc(-c2nc3ccccc3o2)cc1 226294929 FROHBWDFTRFDEG-UHFFFAOYSA-N 335.790 5.727 0 40 EKAB CC[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1C)c1ccccc1 575356988 QYJPMMVOENKKMC-JOCHJYFZSA-N 344.454 5.951 0 40 EKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)c1 88342 HBYCLKMJTTUUAC-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB S=C(NC1CCCCC1)N(Cc1ccccc1)C[C@@H]1CC=CCC1 191771 CUOWXQLKHLSLAL-LJQANCHMSA-N 342.552 5.052 0 40 EKAB COc1cccc(N[C@@H](c2cccnc2)c2c(C)[nH]c3ccccc23)c1 1281024 QQHOWWMSEACELU-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccccc1F 2290037 BGMPXWCPOWTODM-QGZVFWFLSA-N 337.331 5.203 0 40 EKAB CCC(CC)[C@@H]1Nc2c(C(=O)O)cc(Cl)cc2[C@H]2[C@H]3CC[C@H](C3)[C@@H]12 4722540 CQASREBRZYVQSE-RBGFHWGBSA-N 347.886 5.398 0 40 EKAB CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 8041585 MNOAJJWYBPYXQJ-UHFFFAOYSA-N 331.415 5.393 0 40 EKAB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 8276640 XSPQCFVVYLTAPN-JMERFSKESA-N 339.822 5.173 0 40 EKAB CC[C@@H]1CN(Cc2ccccc2)Cc2cc3ccc(C)c(C)c3nc2O1 13563722 NXKJXDPCNVDFPZ-OAQYLSRUSA-N 346.474 5.025 0 40 EKAB CN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 14202341 DDDSZBHMVLTNAT-UHFFFAOYSA-N 344.439 5.240 0 40 EKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2F)o1 16789761 JTDZSOWQCUKCFB-UHFFFAOYSA-N 349.283 5.357 0 40 EKAB O=C(c1sc2cc(Cl)cc(Cl)c2c1Cl)N1CCCC1 48389798 MFIDFAMRGFKXLX-UHFFFAOYSA-N 334.655 5.098 0 40 EKAB Cc1cc2nc(Nc3nc4c(Cl)cccc4s3)oc2cc1C 57352914 BBYJHEKWIREVGD-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB Fc1ccc(SCc2ccccc2Br)cc1Cl 95733278 KHGWOKAHSFAYAQ-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB Fc1cc(SCc2cccc(Br)c2)ccc1Cl 95733408 DWEIQFQSMLNIRV-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)O 225077011 ZOKFWUSDCNEJRD-GOSISDBHSA-N 346.854 5.021 0 40 EKAB CCc1ccc(CC)c(CNC(=O)c2ccccc2SC(C)C)c1 225505427 YAEHIQUMYOPEPX-UHFFFAOYSA-N 341.520 5.242 0 40 EKAB Cc1c(-c2nnc(-c3ccc(OC(C)C)cc3)o2)oc2ccccc12 498858 LSATUTWWVXROEJ-UHFFFAOYSA-N 334.375 5.245 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 563272 VONJTSIIIQNKMZ-LLVKDONJSA-N 340.275 5.421 0 40 EKAB Cc1ccccc1OCCn1c(-c2cccs2)nc2ccccc21 572451 AOGULGKCKBDTBU-UHFFFAOYSA-N 334.444 5.152 0 40 EKAB Brc1ccc(-c2csc3sc4ccccc4[n+]23)cc1 1579155 UBEHLTYWQJEUCX-UHFFFAOYSA-N 347.282 5.131 0 40 EKAB CCCC[C@@H](CC)COC(=O)COc1ccc(Cl)cc1Cl 1850886 QZSFJRIWRPJUOH-GFCCVEGCSA-N 333.255 5.132 0 40 EKAB c1ccc(-c2c[nH]c(SC(c3ccccc3)c3ccccc3)n2)cc1 3094678 IHWOBIIDIVJCRV-UHFFFAOYSA-N 342.467 5.958 0 40 EKAB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4027854 WIWIXNXBHJVZNI-VRHOEBMJSA-N 344.539 5.151 0 40 EKAB biogenic CCCCc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 4822155 DQMJMGUIKWFDBX-UHFFFAOYSA-N 345.870 5.317 0 40 EKAB COc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 4871857 DXLATMMDHMQPDG-GORDUTHDSA-N 346.213 5.426 0 40 EKAB CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 6078662 MZVYHQXDHZBGEG-UHFFFAOYSA-N 329.513 5.470 0 40 EKAB CCCCCC[C@H](C)Nc1ncnc2sc(-c3ccccc3)cc12 7651272 KGRWUMREWNCUAH-HNNXBMFYSA-N 339.508 6.129 0 40 EKAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14397344 SGMVTEBWJXZSRO-INIZCTEOSA-N 339.479 5.514 0 40 EKAB Fc1ccc(COc2ccc(Cl)cc2CNc2ccccc2)cc1 107039433 AIJNCLGMBMTNEK-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCCCOc1ccc(Cl)cc1/C=C1\C(=O)Nc2ccccc21 408534641 VUVRAPNIIDWSCY-VBKFSLOCSA-N 327.811 5.012 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(Cl)c1)c1cccnc1 75370 DBMSBUOCGOXFCQ-OAQYLSRUSA-N 347.849 5.726 0 40 EKAB COc1cc(/C=C/c2ccccc2)ccc1OC(=O)Cc1ccccc1 118479 QDVGCLABFUJNCH-OUKQBFOZSA-N 344.410 5.014 0 40 EKAB Cc1ccccc1-c1nc2cc(NC(=O)c3ccccc3)ccc2o1 352947 CNNMTRYVLWWKEK-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CC(=O)O/C=C1\c2ccccc2CC[C@H]1c1ccc2ccccc2c1 1599991 PNNOXIGSAALALP-GQBVICOWSA-N 328.411 5.474 0 40 EKAB Cc1ccc(C)c(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)c1 2356250 JYCUQUBYQPPJMW-UHFFFAOYSA-N 342.417 6.167 0 40 EKAB Cc1ccc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2c1 4173437 WTSBTZLIPVIDEM-UHFFFAOYSA-N 343.260 5.225 0 40 EKAB Cc1oc(-c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)NC(C)C 5033180 WANFWIHRWVXDJD-UHFFFAOYSA-N 345.748 5.065 0 40 EKAB CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 6870041 BKEGWSRFXHWYDI-UHFFFAOYSA-N 348.837 5.173 0 40 EKAB Cc1ccccc1COc1ccccc1C(=O)N[C@@H](C)CCC(C)C 6941568 XGUSTWZKLAWFQD-SFHVURJKSA-N 339.479 5.129 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(C)C 20456550 SFWNBEOYKUBPIZ-OAQYLSRUSA-N 347.458 5.759 0 40 EKAB O=C(N1CCC[C@@H]1c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 36620708 TUMHEZHZRFELLU-KXDMBUCYSA-N 343.898 5.220 0 40 EKAB Cc1ccc(CSCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223398015 KKVNUIGNYDABLE-GOSISDBHSA-N 341.520 5.031 0 40 EKAB CCOc1c(C)cc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225505034 CPCWLWXFZLKIEX-UHFFFAOYSA-N 337.463 5.153 0 40 EKAB CC(C)c1ccc(CCCNC(=S)Nc2cccc(Cl)c2)cc1 225806165 XQZKSTRIJBMLRQ-UHFFFAOYSA-N 346.927 5.383 0 40 EKAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1C 282016 MPRIQYWSBAHHIU-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(C(F)(F)F)c1 385239 HHMAQUDZUDPYIM-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1ccc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1C 506052 HRYSTOLPLQDJQW-QHCPKHFHSA-N 341.458 5.690 0 40 EKAB CCc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)c3)n2)cc1 1512070 BEAKYWLBGMCJIR-UHFFFAOYSA-N 336.460 5.242 0 40 EKAB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc2ccccc2s1 1787842 XLDXKYITGHYURY-UHFFFAOYSA-N 348.210 5.377 0 40 EKAB CCCCSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 2287423 JFMHSZNJKRNVQB-NSHDSACASA-N 349.569 5.317 0 40 EKAB CCOC(=O)CCCCCCC(=O)c1cc(Cl)ccc1Cl 2580347 OSORFDBMXOTXQS-UHFFFAOYSA-N 331.239 5.080 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 2734313 WPVWYDQCUORMTE-UKRRQHHQSA-N 345.870 5.568 0 40 EKAB FC(F)(F)c1cccc(Sc2snnc2-c2ccccc2)c1 3111144 LHPULLPILWREHZ-UHFFFAOYSA-N 338.379 5.375 0 40 EKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(Cc3ccc(F)cc3)c12 3634657 HVVXFZITYUVZMF-UHFFFAOYSA-N 349.327 5.136 0 40 EKAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1F 5033307 TVZWGPZDYISDGG-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB COc1cc([C@@H]2C[C@H]3CC[C@@H]2C3)ccc1OC(=O)Nc1ccccc1 5396590 BEGPRXZENQASEA-HDMKZQKVSA-N 337.419 5.210 0 40 EKAB C/C=C\CCCCCCCC(=O)OC(C)(C)C(Cl)(Cl)Cl 5742524 RIGGNZANGWBVNN-PLNGDYQASA-N 343.722 5.985 0 40 EKAB Cc1ccccc1SCc1cccc(-c2nc3ccccc3s2)c1 5943212 RNWNJPQHOVDHOF-UHFFFAOYSA-N 347.508 6.564 0 40 EKAB CCCCCCNCc1ccc(OCc2ccccc2F)c(OC)c1 7261021 PWHCONTYPVZMCK-UHFFFAOYSA-N 345.458 5.083 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2ccccc2)o1 11429172 ARCZASCXUAMZKL-UHFFFAOYSA-N 348.446 5.345 0 40 EKAB CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 13320082 AEQRMSPJMNALAP-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1C1CCCCC1 13942317 MCVHLAMKILAFGN-JOCHJYFZSA-N 344.458 5.354 0 40 EKAB CCc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@H]2c1ccco1 14607653 HQUAOAMNOXWFBO-INIZCTEOSA-N 339.826 5.444 0 40 EKAB CCOc1ccc(-n2c(SCC(C)C)nc3ccccc32)cc1 15978913 UCNNEEOJCKMETO-UHFFFAOYSA-N 326.465 5.172 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccco1 33374184 HNNCIRYDHPLEAA-RLLQIKCJSA-N 339.479 5.383 0 40 EKAB COC(=O)c1cc(Nc2ccc(C(C)C)cc2)c2cccc(C)c2n1 38487135 USVIELULKHGWLZ-UHFFFAOYSA-N 334.419 5.197 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1C 38755065 VQQWGDAGTXUDPA-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB CN(C(=O)/C(=C/c1ccccc1Cl)c1ccccc1)C1CCCC1 44885629 WWZXZBBAEUHRCW-XDJHFCHBSA-N 339.866 5.282 0 40 EKAB Cc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)cc1 45925249 VIZCVZJHMHXAOI-UHFFFAOYSA-N 345.471 5.305 0 40 EKAB O=C(Nc1cc(F)ccc1Cl)Nc1ccccc1C(F)(F)F 51354228 JAUMWFNGUZPOOR-UHFFFAOYSA-N 332.684 5.142 0 40 EKAB COc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 51355839 CSDUEKKHTAWWRU-UHFFFAOYSA-N 348.402 5.440 0 40 EKAB CC(C)(C)Sc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72217388 YQCULBXHEHRCII-LJQANCHMSA-N 340.536 5.699 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(F)c(Cl)c2)c1 199713326 XWBWXSYVSPYUQM-UHFFFAOYSA-N 336.794 5.256 0 40 EKAB Cc1ccc([C@@H](NC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1 216450481 SQMNGCOYSXRXRU-QFIPXVFZSA-N 349.861 5.097 0 40 EKAB CC(C)c1ccc2oc(-c3ccc4c(c3)-c3ccccc3C4)nc2c1 216773430 CADJDJRSNIWCIO-UHFFFAOYSA-N 325.411 6.189 0 40 EKAB Cc1ccc(C)c(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 222542550 TZSIPPNGKUGRQP-FQEVSTJZSA-N 349.474 5.260 0 40 EKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 224068398 APBJCETXSYDUSH-UHFFFAOYSA-N 338.382 5.076 0 40 EKAB O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)oc1C(F)(F)F 113665 UGZOLBZNUYWBAP-UHFFFAOYSA-N 332.277 5.331 0 40 EKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)c1 1640165 PMPCSKYCIWNABN-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CCN(CC)CCOc1ccc([C@@H](C)CCc2ccccc2)cc1 2042102 YZNHQUZREJWQHF-IBGZPJMESA-N 325.496 5.144 0 40 EKAB C[C@H]1C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)CC(C)(C)C1 2190160 YQRPRRZAKWEPHV-FXAWDEMLSA-N 335.491 5.150 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2Cl)N3)C1 4545384 MHJDMAARMBFEJA-QLJPJBMISA-N 346.883 5.345 0 40 EKAB C[C@H](Oc1ccccc1)C(=O)NC1CCCCCCCCCCC1 4614752 BFCMYVKPLOVJLZ-SFHVURJKSA-N 331.500 5.243 0 40 EKAB Cc1ccc(C)c(NC(=O)CCCOc2ccc(Cl)cc2C)c1 5542460 JWZBVEATBYASHV-UHFFFAOYSA-N 331.843 5.063 0 40 EKAB Cc1ccc(C(C)C)c(Oc2ncnc3oc(-c4ccccc4)cc23)c1 6189906 PCAKTXNZWYXOHL-UHFFFAOYSA-N 344.414 6.114 0 40 EKAB O=C(Nc1cccc2ncccc12)c1ccccc1Cc1ccccc1 6609919 ODWDZQVIXVJCBH-UHFFFAOYSA-N 338.410 5.078 0 40 EKAB Cc1ccc2nc(-c3ccc(NCc4ccncc4)cc3)sc2c1 6814704 SVSHWQSTEQXUCK-UHFFFAOYSA-N 331.444 5.279 0 40 EKAB CC(C)(C)CC(C)(C)NCc1ccccc1OCc1ccccc1 6857440 VQFQLZBJGJDEDP-UHFFFAOYSA-N 325.496 5.570 0 40 EKAB Cc1ccc(C)c(NC(=O)CCCSc2ccc(Cl)cc2)c1 7597440 CXFZQMMGABBIRD-UHFFFAOYSA-N 333.884 5.468 0 40 EKAB Cc1ccc2oc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2n1 8798663 KSYLQKSVDFLCKG-UHFFFAOYSA-N 344.370 5.181 0 40 EKAB CCCCN1C(=O)C(C)=C(C)[C@@H]1N(c1ccccc1)c1ccccc1 9435206 ZJJWBOKLQWURJL-NRFANRHFSA-N 334.463 5.130 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 10365142 KTRJIZPOHGXSJC-UHFFFAOYSA-N 331.415 5.359 0 40 EKAB CC(C)c1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 12615895 BJDHLTUBLCZPBO-UHFFFAOYSA-N 342.489 5.176 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C(C)(C)C)cc1 13647878 XGHKQPBWKVHRRN-GOFCXVBSSA-N 341.882 5.528 0 40 EKAB C[C@H](NC(=S)Nc1ccccc1F)c1ccc(C(C)(C)C)cc1 13774752 CCHPZJGINHLEOU-ZDUSSCGKSA-N 330.472 5.171 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccccc1C(C)C 30756979 WAKXPDSARWKXCI-INIZCTEOSA-N 325.452 5.087 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 38755039 APNJUQIERXLUDJ-MSOLQXFVSA-N 339.479 5.072 0 40 EKAB Clc1ccccc1Oc1nc2ccccc2nc1N1CCCCC1 45900700 NMFSFPDWIAGDEB-UHFFFAOYSA-N 339.826 5.066 0 40 EKAB O=C(Nc1ccc(SC(F)F)cc1)N(Cc1ccccc1)C1CC1 58282544 QQLPBDDECUAYSX-UHFFFAOYSA-N 348.418 5.198 0 40 EKAB CCCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1 59441760 XXORHRTUXUPWLW-UHFFFAOYSA-N 326.568 7.656 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 223756053 PKNFGPKPVODLMQ-CYBMUJFWSA-N 349.833 5.317 0 40 EKAB CC(C)(C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225274629 IWRPVUJTDSZRGM-UHFFFAOYSA-N 330.522 5.064 0 40 EKAB CC[C@@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1C 225713437 OZVNTKRPVARQJP-LJQANCHMSA-N 326.509 5.358 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3ccc(C)cc3C)CCCC2)cc1 225841589 DKNDGTIBQCPGCW-UHFFFAOYSA-N 338.520 5.368 0 40 EKAB O=C(c1cccs1)N(c1ccccc1)c1ccc2ccccc2c1 67022 ZTSYMBOFFGBXLG-UHFFFAOYSA-N 329.424 5.880 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 568790 JJAUJIAJBABBBX-HNNXBMFYSA-N 333.431 5.614 0 40 EKAB CCCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21 2428147 MYSOZYHUEVRQLZ-UHFFFAOYSA-N 330.435 5.227 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc2ncsc2c1 3289225 JACKUSSGLVGLOF-UHFFFAOYSA-N 344.439 5.139 0 40 EKAB Clc1ccc([C@H]2CC(c3ccccc3)=Nc3ccccc3S2)cc1 4376862 PNVWIHLFACUKDT-OAQYLSRUSA-N 349.886 6.698 0 40 EKAB Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2cnccn12 4597386 NPJLHVKIJBCFOD-UHFFFAOYSA-N 334.810 5.102 0 40 EKAB CCC[C@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6288616 HJJLPYZFYZMLFH-AWEZNQCLSA-N 347.911 5.551 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)c1 8729268 NXNYPYWWCHEVKY-FQEVSTJZSA-N 348.471 5.171 0 40 EKAB C[C@@H]1CCCc2c1nc1sc3c(c1c2-c1cccs1)CCCC3 12634142 YBIMEGJNAFYMIK-GFCCVEGCSA-N 339.529 6.343 0 40 EKAB CCCCCC[C@H](Cn1ccnc1)c1ccc(Br)cc1 13207374 AGFKAHBLYYNKBG-MRXNPFEDSA-N 335.289 5.400 0 40 EKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2ccccc12 14258164 IBXWGTDNDUOFQZ-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB Cc1cccc(C)c1NC(=O)CCCSc1ccc(Cl)cc1 15992610 JVVRGRQHKNQDTJ-UHFFFAOYSA-N 333.884 5.468 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1Cl 16221521 QEKDEOVFSBGFEN-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cc(Cl)ccc1F 16240580 BJLFDJZBJSQIEE-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB COC1=C[C@@H]2CC[C@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 16917725 BISLUBSVNGTKPR-CDSHGXNMSA-N 346.511 5.101 0 40 EKAB Brc1cc(Br)c2c(c1)oc1ccccc12 32164029 HUMKRBJGRUACAP-UHFFFAOYSA-N 325.987 5.111 0 40 EKAB C/C(=C\CC/C(C)=C/CC/C(C)=C/COCc1ccccc1)CO 38317425 LSEOITPKTVFFAM-GJLPZIKMSA-N 328.496 5.595 0 40 EKAB COc1ccc(OC)c(Nc2nc(-c3cccc(Cl)c3)cs2)c1 67321900 YKIFDIXHLXYRRL-UHFFFAOYSA-N 346.839 5.224 0 40 EKAB Fc1cc(Br)ccc1-c1nc2cc(Cl)ccc2o1 73638235 WOGKJPRUOWCMHW-UHFFFAOYSA-N 326.552 5.050 0 40 EKAB COc1cccc(-c2nc(Cl)cc(-c3ccc(Cl)cc3)n2)c1 78401280 IVCOIIAPBSHDRE-UHFFFAOYSA-N 331.202 5.126 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 78529190 JGZZCHAVRYOHBP-SECBINFHSA-N 344.625 5.053 0 40 EKAB CC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n(C(C)C)c1=O 95116041 QPSKNFIJEUKMMM-UHFFFAOYSA-N 339.822 5.105 0 40 EKAB COc1ccc(Nc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 96305833 DJCWUFKEBWWYTP-UHFFFAOYSA-N 341.414 5.357 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C)c1ccc(C)c(C)c1 219314293 CXIRPWGVQDSUQA-VQTJNVASSA-N 339.479 5.037 0 40 EKAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)cc1C 225700448 XRIAHAFACXQUBB-FQEVSTJZSA-N 335.488 5.098 0 40 EKAB COc1ccccc1NC(=O)Nc1ccccc1Oc1ccccc1 225768139 XBNGLRGUDCGKAG-UHFFFAOYSA-N 334.375 5.132 0 40 EKAB COc1ccc(-c2c(C)c3cc(Cl)cc(Cl)c3oc2=O)cc1 57987 UHFRSPCRJARCBI-UHFFFAOYSA-N 335.186 5.084 0 40 EKAB biogenic CCCCCC(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 2052387 RHZASHFTOAXRLD-UHFFFAOYSA-N 326.371 5.153 0 40 EKAB CCN(c1nc(-c2ccccc2O)nc2ccccc12)C1CCCCC1 2323374 IIZDASZDINPTEF-UHFFFAOYSA-N 347.462 5.161 0 40 EKAB CCc1cccc(CC)c1NC(=O)CSc1ccccc1Cl 3226626 ZHGFAHFZNMAHIS-UHFFFAOYSA-N 333.884 5.196 0 40 EKAB CC(C)C1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C 4143647 QTCCWCRPTWVSSV-GPHNJDIKSA-N 337.507 5.074 0 40 EKAB CCCc1cc(=O)oc2c(C)c3occ(-c4ccc(C)cc4)c3cc12 5235575 KABKMWHTWCGZSN-UHFFFAOYSA-N 332.399 5.776 0 40 EKAB Cc1nc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cs1 5588768 YAURWTIWOQXVLS-UHFFFAOYSA-N 336.847 5.987 0 40 EKAB COc1ccccc1/C=C\C1=C(C)CC[C@@H](c2ccccc2OC)[C@@H]1C 5707129 TVPBJULSXPLFIN-UQDNFRGPSA-N 348.486 6.247 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)CC3CCCC3)n2)c(C)c1 6221297 YNMOUSZYCKGURN-UHFFFAOYSA-N 328.481 5.254 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 11473438 IZOIHGGWLTZTGY-MRXNPFEDSA-N 348.446 5.426 0 40 EKAB COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3Cl)ccc2c1 15576281 QJCKJVYVSGLARM-ZDUSSCGKSA-N 339.822 5.244 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1cc2ccccc2cc1OC 15960957 UZRIXTFUISNRLN-UHFFFAOYSA-N 333.431 5.226 0 40 EKAB Clc1ccccc1COc1ccc(CNCc2cccs2)cc1 16449891 OUSYMBMKHFSQDN-UHFFFAOYSA-N 343.879 5.270 0 40 EKAB c1ccc(C(Sc2cccc3cccnc23)c2ccccc2)cc1 16477832 RPZNKOUZZRDHBV-UHFFFAOYSA-N 327.452 6.117 0 40 EKAB CC(C)(C)c1ccc(OCCNc2ccc(F)cc2)c(C(C)(C)C)c1 19737686 INOZNEOCKAGAJP-UHFFFAOYSA-N 343.486 5.912 0 40 EKAB Cc1ccccc1CCNc1ccc(OCCc2ccccc2)cc1 19738294 KSJHPDFLVAMRKI-UHFFFAOYSA-N 331.459 5.271 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 30546463 IDVPANWQUZPVKZ-UHFFFAOYSA-N 340.492 5.041 0 40 EKAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)CC(C)C)o2)cc1 65553296 CAIWMFQBCFWNIJ-UHFFFAOYSA-N 348.446 5.045 0 40 EKAB Clc1ccc(Cl)c(-c2nc3c(Cl)ccc(Cl)c3[nH]2)c1 73634698 BJCUDCPVALGLJT-UHFFFAOYSA-N 332.017 5.844 0 40 EKAB CC(C)C(NC(=O)CCCSc1ccc(Cl)cc1)C(C)C 222683955 GITZSWBGPWIUGR-UHFFFAOYSA-N 327.921 5.009 0 40 EKAB CCc1ccc([C@H](C)NC(=O)CCc2cccc3ccccc23)cc1 224079117 FXLIMUVLXXBOEL-KRWDZBQOSA-N 331.459 5.212 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12 225827934 PYUNNXNFHDHIDU-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB CC[C@@H](C)n1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 539627 GLQJFWAJHCHKPH-GFCCVEGCSA-N 336.826 5.271 0 40 EKAB O=C(O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 2196287 RBOVWLWNMRNXDT-UHFFFAOYSA-N 331.415 5.648 0 40 EKAB CC[C@@H](C)N(C(=O)c1sc2cc(C)ccc2c1Cl)[C@H](C)CC 2767269 GXVRCFIRUGODRY-CHWSQXEVSA-N 337.916 5.902 0 40 EKAB Clc1ccccc1CNc1nc(-c2ccccc2)nc2ccccc12 3348213 MZWYRWGJPAKMJJ-UHFFFAOYSA-N 345.833 5.562 0 40 EKAB CCN1[C@H](C(Cl)(Cl)Cl)c2ccccc2[C@@H]2C=CC=C[C@H]21 4480252 JVBJKGXRMGJROW-CFVMTHIKSA-N 328.670 5.012 0 40 EKAB c1ccc(Cc2cccc[n+]2C(c2ccccc2)c2ccccc2)cc1 4683560 YZPUSXUPQYDANY-UHFFFAOYSA-N 336.458 5.203 0 40 EKAB Cc1ccc(-c2csc(/C=C/c3cccc(C(F)(F)F)c3)n2)cc1 5261905 HTRABUZJNSFUAU-JXMROGBWSA-N 345.389 6.308 0 40 EKAB Cc1ccc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)s1 5268579 KTSORFFGBUAROM-UHFFFAOYSA-N 338.863 5.775 0 40 EKAB CCOc1ccccc1OCCCC(=O)Nc1ccc2ccccc2c1 6649557 UTGOOZVOJGUVEU-UHFFFAOYSA-N 349.430 5.036 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C 6881276 FYKLYZDYHATAQQ-LBPRGKRZSA-N 325.383 5.646 0 40 EKAB Cc1nn(-c2nc(-c3ccc(F)cc3)c(Cl)s2)c(C)c1Cl 8299771 JJXVJKONGGAEPQ-UHFFFAOYSA-N 342.226 5.059 0 40 EKAB COc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)c1 12274724 DJRCPVLNLQJZFS-UHFFFAOYSA-N 341.794 5.169 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)c(C)c1 15867466 RXAGJDHPKYQXRI-UHFFFAOYSA-N 337.394 5.274 0 40 EKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@@]21C 25549121 LFDDUQXVBIIJBD-VFCYDITLSA-N 344.583 6.529 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1C 27739926 DLCZECZYFOHQKI-UHFFFAOYSA-N 335.472 5.520 0 40 EKAB Clc1cc2nc(COc3ccccc3Cl)[nH]c2cc1Cl 31943996 NCAPWMYAMCGSQX-UHFFFAOYSA-N 327.598 5.102 0 40 EKAB O=C(O)c1sc2ccccc2c1CSc1ccccc1Cl 37337436 GGGGZWILAXKNOI-UHFFFAOYSA-N 334.849 5.545 0 40 EKAB in-vitro C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 38201049 SKSOMRHTXHIGIB-IJFRIWESSA-N 342.523 5.827 0 40 EKAB Cc1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1Cl 44781796 MKRJDQGFJDVWCF-UHFFFAOYSA-N 334.806 5.535 0 40 EKAB Fc1c(Cl)cccc1NC(=S)Nc1ccc(C(F)(F)F)cc1 71326207 AZECOJFXWIVRKA-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Cl)cc1 222773033 ZTSLFHVEEATNLS-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB O[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)oc1ccccc12 226296833 XZIGARFMQICJMF-IBGZPJMESA-N 343.209 5.975 0 40 EKAB Cc1cc(C)n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2n1 409054761 BKHWDDDAPDMUEX-UHFFFAOYSA-N 333.822 5.334 0 40 EKAB C[C@H](CC(=O)c1cccc(OCc2cccc(F)c2)c1)CC(C)(C)C 575357271 BDUSAUAQNFOBAL-MRXNPFEDSA-N 342.454 6.050 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1Cl 225345 QSIWBZGPIFMAIA-SOFGYWHQSA-N 326.610 5.299 0 40 EKAB c1ccc2c(Sc3ncnc4sc5c(c34)CCCC5)c[nH]c2c1 382998 ZLQCUESWYUUHEM-UHFFFAOYSA-N 337.473 5.203 0 40 EKAB COc1ccc(-c2nc3ccccn3c2Nc2ccccc2C)cc1 427545 IXUPVXDHARHNGG-UHFFFAOYSA-N 329.403 5.062 0 40 EKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 525789 JLMIEJPAIDUIPY-LFPKGMGHSA-N 344.326 5.005 0 40 EKAB CSC(SC)P(=O)(Oc1ccccc1)Oc1ccccc1 1720031 RMVXSEQHGWRFBM-UHFFFAOYSA-N 340.406 5.347 0 40 EKAB Cc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 2621900 CSKBAKPKVXIIQF-UHFFFAOYSA-N 345.442 5.064 0 40 EKAB CCCCC(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C 3770785 JQFMUWYQCGPEBL-UHFFFAOYSA-N 336.435 5.549 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 6495781 JGYHFBGQEFFHOJ-SDNWHVSQSA-N 349.817 5.784 0 40 EKAB Cc1ccc(-c2nnc(N3C[C@@H](C)C[C@H](C)C3)c3ccccc23)cc1 7002960 VFIHIDDHUNPHEZ-IRXDYDNUSA-N 331.463 5.088 0 40 EKAB Cc1ccc2oc(C(=O)Nc3ccccc3Oc3ccccc3)cc2n1 8798729 GDFCAUABPKOGAG-UHFFFAOYSA-N 344.370 5.181 0 40 EKAB C[C@@H](NCc1cccc2cccnc12)c1ccc(Cl)cc1Cl 23624692 VQLYNXMYHISVNR-GFCCVEGCSA-N 331.246 5.392 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 59351493 RFGMRFPEVWSQIL-ROUUACIJSA-N 347.458 5.101 0 40 EKAB Cc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c(F)c1 71326080 ALVDYHJEHGXKKV-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC(C)(C)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 208654063 GNVNIOWIRJAYTJ-LGMDPLHJSA-N 337.444 5.225 0 40 EKAB COc1cc(C)c([C@@H](C)NC(=O)c2cccc(Cl)c2)cc1C(C)C 223263027 ZGFQLGUJJBLILT-CQSZACIVSA-N 345.870 5.271 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SC(C)C)cc1C 223474584 HFVUEDOGEZPOSL-QGZVFWFLSA-N 341.520 5.603 0 40 EKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 225733699 JJOGVUWESPFQHM-OAQYLSRUSA-N 347.499 5.178 0 40 EKAB c1ccc2c(c1)oc1cc(Nc3ccc4c(c3)oc3ccccc34)ccc12 2113930910 GFDVDLXJIBOBTA-UHFFFAOYSA-N 349.389 7.229 0 40 EKAB CC(=O)O/C=C1\c2ccccc2CC[C@@H]1c1ccc2ccccc2c1 1599993 PNNOXIGSAALALP-WWOVWOHCSA-N 328.411 5.474 0 40 EKAB CC(C)CC[C@]1(CCN[C@H](C)c2ccccc2)CCOC(C)(C)C1 2111868 ZJDLVBRPNKOGFF-KNQAVFIVSA-N 331.544 5.739 0 40 EKAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2c(s1)CCCC2 2635981 PEJBBWDXRJYIOW-UHFFFAOYSA-N 343.492 5.185 0 40 EKAB Nc1ccc(Oc2ccccc2Cc2ccccc2)cc1C(F)(F)F 14630362 SMUBWOHYIQNJGL-UHFFFAOYSA-N 343.348 5.671 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 20456697 BBDNRZJWRVHRPK-GOSISDBHSA-N 339.822 5.289 0 40 EKAB CC(C)CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 44087463 SUORLSPHHIBHJI-UHFFFAOYSA-N 342.895 5.941 0 40 EKAB O=C(c1cccc(Oc2ccccc2)c1)c1cncc2ccccc12 45028892 CITPUHZGDNAPNG-UHFFFAOYSA-N 325.367 5.258 0 40 EKAB c1ccc(C23c4ccccc4C(c4ccccc42)c2ccccc23)cc1 68565050 XCTQVOJXLXFEML-UHFFFAOYSA-N 330.430 5.876 0 40 EKAB CCN(CC)c1ccc(NC(=S)Nc2cc(F)ccc2C)c(C)c1 71761570 DQDSBGXKFOXPEZ-UHFFFAOYSA-N 345.487 5.098 0 40 EKAB Cc1ccc(C2=C[C@H](c3ccc(C(C)C)cc3)n3ncnc3N2)cc1C 102402283 IIARYTAZZKLUNP-OAQYLSRUSA-N 344.462 5.074 0 40 EKAB CN(Cc1ccc2oc(-c3ccccc3F)nc2c1)C1CCCCC1 216790906 ZGJKFPMBYYRXIE-UHFFFAOYSA-N 338.426 5.398 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219314480 PZXCDYWYCFYWQF-PMACEKPBSA-N 339.479 5.037 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2c(C)cccc2C(C)C)cc1 222885205 OLQWLIBHDSTPCQ-FQEVSTJZSA-N 339.479 5.477 0 40 EKAB CC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 223144958 MUXFGSOBPLNKFR-HSZRJFAPSA-N 347.502 5.325 0 40 EKAB CCC[C@@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225381866 RVHCBNXAWRJQKT-OAHLLOKOSA-N 344.549 5.454 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225638254 KXIICYHDOIYNET-QVKFZJNVSA-N 347.499 5.016 0 40 EKAB CC(C)COc1ccc(NC(=O)C2(C)CCCC2)c2ccccc12 225788629 MCLHOTKLFFNMAE-UHFFFAOYSA-N 325.452 5.393 0 40 EKAB CC1=C(/C=C/C(C)=C\C=C\c2ccc(C(=O)O)cc2)C(C)(C)CCC1 299888812 YRNAHKPMDMVFMV-UXOWDCCTSA-N 336.475 6.427 0 40 EKAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2ccc(Br)cc12 57982 RGKDHAQFRXIVPH-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB biogenic CC(C)(C)c1ccc(CSc2nnc(-c3cccs3)o2)cc1 421725 JDGCRWSOVCTQCR-UHFFFAOYSA-N 330.478 5.388 0 40 EKAB CC(C)OP(=O)(Nc1cccc(C(F)(F)F)c1)OC(C)C 2277235 VKKFCSLLIWIZNS-UHFFFAOYSA-N 325.267 5.075 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1ccc2[nH]c3c(c2c1)CCCC3 2632497 MQRSWIQTFVKCRU-UHFFFAOYSA-N 340.426 5.452 0 40 EKAB Cc1cc(C)cc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 2790566 GUBIVSBGMLJHET-UHFFFAOYSA-N 331.843 5.063 0 40 EKAB Cc1cc(C)c(C(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 3101441 MXAKUQXCLQZBLP-UHFFFAOYSA-N 328.455 6.017 0 40 EKAB Cc1cccc(Nc2ccccc2C(=O)NCC2CCCCC2)c1C 3452074 JWOLTDSECOYLRW-UHFFFAOYSA-N 336.479 5.357 0 40 EKAB CC(C)[C@@H]1CC(C)(C)[C@H]2C[C@H]3O[C@@H](C(C)C)CC(C)(C)[C@@H]3C[C@@H]2O1 5395758 YJDWFPSBWFUGFD-YUNYCSSDSA-N 336.560 5.692 0 40 EKAB Cc1ccc(CSCCOCCSCc2ccc(C)cc2)cc1 6426709 RPMXSZBKYNOAKW-UHFFFAOYSA-N 346.561 5.487 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1ccc(COc2ccccc2)o1 8288131 WCYQXHNYPUNFGL-UHFFFAOYSA-N 343.382 5.264 0 40 EKAB Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 13820586 CNLQVYJBHRZIJT-UHFFFAOYSA-N 332.472 5.071 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]2CCCC[C@@H]21 16385384 NZYJYAAVXPTNRR-ABAIWWIYSA-N 327.255 5.180 0 40 EKAB CC(=O)c1cccc(NC(=O)C2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)c1 17172931 BJQOSONJQCUKEY-PALYAERRSA-N 337.463 5.157 0 40 EKAB O=C(Nc1ccc(F)cc1)c1ccc(CSc2ccccc2)cc1 20238827 PAGPTYSAAYVIAN-UHFFFAOYSA-N 337.419 5.370 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C(F)(F)F)c(C)c1 28221320 JBVPRMKOQJOUAC-CYBMUJFWSA-N 336.357 5.205 0 40 EKAB CC[C@@H](N[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 31924541 NVERXPXBCCTSMD-FGZHOGPDSA-N 329.443 5.352 0 40 EKAB CCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1Cl 225158905 KYMUBLQSFCRVSS-SFHVURJKSA-N 345.870 5.256 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225624593 JENNBVALGOEFDB-OAQYLSRUSA-N 349.515 5.262 0 40 EKAB Cc1cccc([C@H](NC(=O)c2cc(C)c(C)cc2C)c2ccccc2)c1 225650685 GLPJUPAJKJNVHT-HSZRJFAPSA-N 343.470 5.440 0 40 EKAB Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 408995751 NEXVUNQFCKUPPX-LLUOTROESA-N 347.458 5.298 0 40 EKAB Cc1cccc(NCc2cccc(OCc3ccccc3Cl)c2)c1 409111264 BBXMKAAXRXQZLL-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc12 263537 IVMINDZVEQVMTN-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2ncccn12 427550 JSYGDDCRPLVETJ-UHFFFAOYSA-N 334.810 5.102 0 40 EKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 533984 QXTDFYOKGHHHQP-UHFFFAOYSA-N 348.837 5.415 0 40 EKAB FC(F)(F)c1ccc(CSc2nnc(-c3ccccc3)o2)cc1 1392774 ZHRCEWXEQLBIOC-UHFFFAOYSA-N 336.338 5.048 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2C)c1 3043495 KHFZFQYAFLRJII-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB O=C(CCCSc1ccccc1)Nc1ccccc1-c1ccccc1 3427683 HQBBMNBRSXWTEY-UHFFFAOYSA-N 347.483 5.865 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 4666365 KYFBTKOBSYQJBJ-ROUUACIJSA-N 337.507 6.141 0 40 EKAB Fc1ccc([C@H](CCN2CCCCC2)c2ccc(Cl)cc2)cc1 6760439 IXTYKUMHNRUWAI-HXUWFJFHSA-N 331.862 5.487 0 40 EKAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@H]1CC=CCC1 6880368 CBTDOTURJQXACS-INIZCTEOSA-N 348.471 5.182 0 40 EKAB O=C(Nc1ccc(N2CCCC2)cc1)c1sccc1-c1ccccc1 10428801 KDKXQGCNKPLXAC-UHFFFAOYSA-N 348.471 5.268 0 40 EKAB Cc1ccc(-c2cc(C(=O)Sc3ccc(Cl)cc3)no2)cc1 11916474 IYWCKTHFYFNPGF-UHFFFAOYSA-N 329.808 5.236 0 40 EKAB CCCCC(=O)N(C)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 15670877 FOBLSOMQELMBMJ-QFIPXVFZSA-N 334.463 5.214 0 40 EKAB CCCC(=O)Nc1nc(-c2ccc(-c3ccc(F)cc3)s2)cs1 27913899 VHVNWRZDCFXBBM-UHFFFAOYSA-N 346.452 5.416 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(Cl)cccc1Cl 30867781 LAHGTRSBAUSMJH-CQSZACIVSA-N 338.234 5.098 0 40 EKAB Oc1cccc(Nc2nc(-c3ccccc3)c3ccc(Cl)cc3n2)c1 75106541 INBFLGBAEDHGCB-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@H]1[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]12C 105363195 QKSODSWUZYYQJJ-ALUDHAPCSA-N 332.572 6.961 0 40 EKAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(Cl)c1 216847701 ZDVKHIZGOMFILX-UHFFFAOYSA-N 339.218 5.058 0 40 EKAB Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2 222631661 JEGNXUWAZOPQKS-INIZCTEOSA-N 344.842 5.072 0 40 EKAB CCCOc1c(C)cc(NC(=O)C2(OCC)CCCCCC2)cc1C 225712010 QPBLTDBLVRRFOF-UHFFFAOYSA-N 347.499 5.160 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Cl)cc2)C(C)C)c(C)c1 225763434 OBXJZIBKPAJOSD-GOSISDBHSA-N 346.927 5.641 0 40 EKAB Fc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1 409195184 SCMBHLPACDIANT-UHFFFAOYSA-N 335.403 5.681 0 40 EKAB COc1cccc(CNc2ccc(SC(F)(F)F)cc2)c1Cl 2087111563 JARFMVPHOXANGO-UHFFFAOYSA-N 347.789 5.573 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1cc2sc3ccccc3c2s1 549823 XKZZKTSEUOQAAC-UHFFFAOYSA-N 343.860 6.022 0 40 EKAB C[C@H](CC[C@@H](C)[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1 1666354 LLSXNKYYYBNQPM-WOJBJXKFSA-N 342.486 5.170 0 40 EKAB CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(N2CCCC2)cc1 1705979 RIQJODRBNMKMRH-DHIUTWEWSA-N 337.507 5.983 0 40 EKAB C[C@H]1CCCC[C@@H]1Nc1ncnc2scc(-c3ccc(F)cc3)c12 3304985 DRAWZAKARCRKJZ-LRDDRELGSA-N 341.455 5.488 0 40 EKAB CCOc1cccc2sc(Nc3nc4ccc(F)cc4s3)nc12 4137656 AOBFMELHIILOLE-UHFFFAOYSA-N 345.424 5.187 0 40 EKAB Cc1[nH]c2ccccc2c1C1=C[C@H](c2c(C)[nH]c3ccccc23)CCC1 4983253 BFKIFAMVOVDGET-QGZVFWFLSA-N 340.470 6.617 0 40 EKAB O=C(Nc1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1 6339796 HXEZMSAHMRKSEE-UHFFFAOYSA-N 345.427 5.607 0 40 EKAB Cc1ccccc1SCC(=O)N[C@@H](C)c1ccc2ccccc2c1 6654236 UAHVXCJZPMABKT-INIZCTEOSA-N 335.472 5.118 0 40 EKAB CC(=O)c1cc(Cl)ccc1OCc1csc(-c2ccccc2)n1 7427419 LEJUAMBQCOWXOO-UHFFFAOYSA-N 343.835 5.245 0 40 EKAB O=C(O)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)s1 16487894 MPRRTHHFMUIPPY-UHFFFAOYSA-N 345.423 6.069 0 40 EKAB COc1cccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)c1 19879370 JHPOKNXDPYFIHU-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 20039677 FHGRYSXQSJTRQM-SFHVURJKSA-N 339.479 5.450 0 40 EKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NC2CCCC2)n1 36613639 LGIVVBKYTDVURR-UHFFFAOYSA-N 341.764 5.170 0 40 EKAB CC(C)CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 44087202 LTUCUUBKKLKRIO-UHFFFAOYSA-N 342.895 5.941 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)c(Cl)c1 44900464 NPKWPHNNGWQXOM-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C)c1 44946628 BMIXTOFNWUCQEK-GOSISDBHSA-N 337.507 5.411 0 40 EKAB CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)s1 48278008 SMSWMYYZVSDVOX-HNNXBMFYSA-N 348.899 5.035 0 40 EKAB c1ccc(CN2CCCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 72212165 SECVPPQOEMSNSL-JOCHJYFZSA-N 344.458 5.601 0 40 EKAB c1ccc(CN(Cc2ccccc2)Cc2cccc3ccccc23)cc1 90751628 XMCBSXJAAHJEDV-UHFFFAOYSA-N 337.466 6.042 0 40 EKAB Clc1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1 216913988 SVPRBTYDXNZSEH-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB CCc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 223569025 LVGZDGQGBKHBSH-MRXNPFEDSA-N 325.452 5.087 0 40 EKAB COc1ccccc1[C@@H](C)NC(=O)c1cc2c(ccc3ccccc32)o1 225464231 YRYRZYJAVZBBJI-CQSZACIVSA-N 345.398 5.086 0 40 EKAB CCc1ccc([C@H](C)NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225671035 LVNFLOTZNZOBPT-INIZCTEOSA-N 339.479 5.180 0 40 EKAB Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 408995755 NEXVUNQFCKUPPX-OZTQZWFPSA-N 347.458 5.298 0 40 EKAB Cc1ccc(C)c(NC(=O)c2sc(Cl)nc2-c2ccccc2)c1 385371 RULHBONDVPYBDS-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Cc1cccc2nc(-c3ccc(Br)cc3)nc(Cl)c12 2527443 CWIAZOVNENXTCE-UHFFFAOYSA-N 333.616 5.021 0 40 EKAB Cc1cc(Cl)cc2sc(NC(=O)c3cccc(Cl)c3)nc12 4330799 ZLPCRUCEGUTVMC-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CC(C)C[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1ccccc1 4903635 BJAWMDJEHIWIRF-GOTSBHOMSA-N 349.518 5.864 0 40 EKAB Clc1ccc(Oc2ncnc3sccc23)c(C2CCCCC2)c1 5965842 ZGCVNQUHMIEBSQ-UHFFFAOYSA-N 344.867 6.185 0 40 EKAB Cc1onc(-c2ccccc2)c1C(=O)Oc1ccc(Cl)c(Cl)c1 7007096 KLBBLKUHFIJWJO-UHFFFAOYSA-N 348.185 5.176 0 40 EKAB C[C@H](NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2 8395601 JMDGNEGWOURLQJ-AWEZNQCLSA-N 331.406 5.018 0 40 EKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(Cl)c1 14258228 LHHGCYJFCWKYDT-UHFFFAOYSA-N 343.854 5.405 0 40 EKAB CCCCCCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 36613542 RKBZBFQOJISFEX-UHFFFAOYSA-N 337.389 5.463 0 40 EKAB COc1ccc2oc(C(=O)Nc3cccc(Cl)c3Cl)cc2c1 41306316 OTVKCISUVGRQEK-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB O=C(Nc1cccc2[nH]ccc12)c1sc2ccccc2c1Cl 65530817 JGOQQCAOZIWKIW-UHFFFAOYSA-N 326.808 5.288 0 40 EKAB CCCCSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 75338026 MKBUIVLZDCIYID-UHFFFAOYSA-N 337.492 5.059 0 40 EKAB Cc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1Br 95916663 QLBNVLVUNWHLPA-UHFFFAOYSA-N 344.035 5.295 0 40 EKAB Cc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 107024142 RRVRZCJCBOSDFS-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2F)c1 199716027 OXZXLOKVDQZTHO-UHFFFAOYSA-N 336.794 5.256 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C)cc1C 222904900 PEIIHRYFYYRGLS-FQEVSTJZSA-N 339.479 5.397 0 40 EKAB CCCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 408586064 KVLFFMZHBNSKMM-UHFFFAOYSA-N 337.341 5.137 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 409380275 AXRXBLVHHAOZMU-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB Nc1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 77290 FIFLRVUQSJZZFR-UHFFFAOYSA-N 340.448 5.463 0 40 EKAB Cc1ccc(N[C@@H](c2cccnc2)c2c(C)[nH]c3ccccc23)cc1 352704 DUHCBTFRRRTXMA-QFIPXVFZSA-N 327.431 5.381 0 40 EKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Cl)c1 513733 KVKUQMREFISSPS-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1cccc(NCc2ccc(-c3cc(Cl)ccc3Cl)o2)c1 1347449 CEYOKHLMDNLIFX-UHFFFAOYSA-N 332.230 6.174 0 40 EKAB CCCCCCc1cc(C(=O)Cc2ccc(Cl)cc2)c(O)cc1O 1776874 BOBYGJCMYYUNAE-UHFFFAOYSA-N 346.854 5.299 0 40 EKAB Cc1cccc2c(C(=O)O)cc(-c3ccc(-c4ccccc4)cc3)nc12 2112469 MCTHPLZKNGFEMW-UHFFFAOYSA-N 339.394 5.575 0 40 EKAB CCCCOc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 2190178 SJYNWTKHQSYGML-UHFFFAOYSA-N 339.479 5.093 0 40 EKAB COc1cc([C@H]2C[C@@H]3CC[C@H]2C3)ccc1OC(=O)Nc1ccccc1 2235959 BEGPRXZENQASEA-VKJFTORMSA-N 337.419 5.210 0 40 EKAB CC(C)(C)c1noc2nc(-c3cccs3)cc(C(F)(F)F)c12 2647881 IZDHZEHZJSVLPI-UHFFFAOYSA-N 326.343 5.268 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1cccs1 3367877 AVMFSWVIFTYGJP-CYBMUJFWSA-N 341.263 5.424 0 40 EKAB CC(=O)CSc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1 3450898 ICUFVINPUKODER-UHFFFAOYSA-N 336.460 5.042 0 40 EKAB CCCCCN(CCCCC)C(=O)N(CCCCC)CCCCC 4430145 AIKFKQJABQPABD-UHFFFAOYSA-N 340.596 6.471 0 40 EKAB Nc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 4706939 HREHWSJVCSFPRX-UHFFFAOYSA-N 337.426 5.412 0 40 EKAB Cc1c([C@@H]2[C@H](CCN)C2(C)C)c2ccccc2n1Cc1ccccc1 5484699 AWKVKJBLCLOXEC-UGKGYDQZSA-N 332.491 5.086 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 5863632 GDTKXCJWOIWIBS-AWEZNQCLSA-N 347.911 5.891 0 40 EKAB Cc1cc(Cl)ccc1Oc1ncnc2oc(-c3ccccc3)cc12 5925843 OCVUXRPCFYJURB-UHFFFAOYSA-N 336.778 5.644 0 40 EKAB Cc1ccccc1OCCCn1cc(C(=O)C(C)(C)C)c2ccccc21 6268491 VUXYZUIVQXQDQL-UHFFFAOYSA-N 349.474 5.648 0 40 EKAB Cc1cc(F)ccc1NC(=S)Nc1cc(Cl)ccc1Cl 13937308 LDYVYXCSWAUFMN-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1cccc(-c2nnc([C@@H](C)Sc3ccc4ccccc4c3)o2)c1 17716678 NKVLNOQXFYUFIJ-OAHLLOKOSA-N 346.455 6.052 0 40 EKAB Cc1ccc(C)c(NCc2cccc(OCCc3ccccc3)c2)c1 19737793 IHKUUWAXXTXBPS-UHFFFAOYSA-N 331.459 5.537 0 40 EKAB CCCOc1cccc(CNc2cccc(OCc3ccccc3)c2)c1 19738474 BKALZQPYCNOMPI-UHFFFAOYSA-N 347.458 5.667 0 40 EKAB CCOc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1 20156829 QXPRVEFLWYQBFJ-UHFFFAOYSA-N 346.224 5.273 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc2ccccc12 20489214 RHNXXJSADZYUNC-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB Cc1ccc(-c2cc(C(F)(F)F)nc(N[C@H](C)C(C)(C)C)n2)cc1 36613633 MYVREOVJWTUXRK-GFCCVEGCSA-N 337.389 5.317 0 40 EKAB Cc1cccc(-c2nnc([C@@H](C)N[C@H](C)c3ccccc3Cl)o2)c1 39990602 DCVFQQZTMWAVQG-ZIAGYGMSSA-N 341.842 5.110 0 40 EKAB CCCn1cc(C(=O)N2CCC(c3ccccc3)CC2)c2ccccc21 58431707 KJUTWQFUKTWCOW-UHFFFAOYSA-N 346.474 5.071 0 40 EKAB CN(Cc1cccc2ccccc12)C(=S)Nc1ccc2c(c1)CCC2 64893007 UWNPDBKMOGCYQM-UHFFFAOYSA-N 346.499 5.157 0 40 EKAB Cc1nc(C[S@@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)sc1C 87003555 RZFYWYHHLLIFKS-SBKAZYGRSA-N 348.320 5.077 0 40 EKAB C[C@H]1CCCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)C1 97105905 KXUSOWYMERZXOF-AWEZNQCLSA-N 337.854 5.187 0 40 EKAB COc1ccc(OC)c(-c2nc3cc(-c4ccccc4)ccc3o2)c1 216869224 YNMVYVRAGYDFIZ-UHFFFAOYSA-N 331.371 5.179 0 40 EKAB CC(C)C[C@H](N)COc1cccc(F)c1Oc1cccc(Cl)c1 257201522 AHYXEMIMFXMJLC-AWEZNQCLSA-N 337.822 5.024 0 40 EKAB Clc1ccc(N2c3ccccc3Oc3ccccc32)c(Cl)c1 1772715302 SGWJQUQZSWEMBG-UHFFFAOYSA-N 328.198 6.569 0 40 EKAB O=c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2o1 45147 DQQCMCHMGYUJJS-UHFFFAOYSA-N 328.367 5.039 0 40 EKAB biogenic Cc1c(Cl)cccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 364494 NPUZHZTWDRYPOO-AWEZNQCLSA-N 329.871 5.589 0 40 EKAB CCCCCC[C@H](O)CCCCCCCC[C@@H](O)CCCCCC 4029050 UJIQVIQCOJRTLH-VXKWHMMOSA-N 342.608 6.770 0 40 EKAB biogenic CC(C)C1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H]1C 4143646 QTCCWCRPTWVSSV-ZJJAWJATSA-N 337.507 5.074 0 40 EKAB COc1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 4713697 RVDAJHXWXZEGPL-OAQYLSRUSA-N 328.415 5.051 0 40 EKAB O=C(O)c1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@H]2C=CC[C@@H]21 7098980 XLGZLWYORQKFQM-PNLZDCPESA-N 341.410 5.365 0 40 EKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(Cl)c1C 9141618 LCJDMLBMTKXMAE-UHFFFAOYSA-N 344.625 5.216 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(C)cc1 20042775 IVDTWFMTHKZEDN-UXHICEINSA-N 339.479 5.037 0 40 EKAB Cc1ccc([C@@H](NC(=O)Cc2cc(C)ccc2C)c2ccccc2)cc1 20047831 CTGUMEIAKQFRFH-DEOSSOPVSA-N 343.470 5.060 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 30866424 MPARMXCFDFEEMC-KBXCAEBGSA-N 347.911 5.397 0 40 EKAB COc1ccccc1Nc1c(-c2cccs2)nc2cccc(C)n12 35616087 DFJPGIJRIRPBTQ-UHFFFAOYSA-N 335.432 5.123 0 40 EKAB CCCCC/C=C\C/C=C\C/C=C\CCCCCC/C=C/C(=O)O 64219884 PXQLRMOIZUXNST-IXTHVWKNSA-N 332.528 6.997 0 40 EKAB Cc1ccc(-c2ncc(Sc3cnc(-c4ccccc4)o3)o2)cc1 94992882 NYDWZSFDLDZNFA-UHFFFAOYSA-N 334.400 5.456 0 40 EKAB CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(C)cc1C 219394621 XPNLAKHLVFEIKD-OAQYLSRUSA-N 347.458 5.346 0 40 EKAB C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 224267345 YDVFZVGBWVWJGB-AWEZNQCLSA-N 329.871 5.057 0 40 EKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCCC2)cc1 225511862 XAWIDRNWNUATCH-UHFFFAOYSA-N 337.463 5.233 0 40 EKAB Cc1cccc(OCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)c1 409180777 RKJXAQFPJRQKJN-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB O=C(Oc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 336628 GAJSTODKNYAPHO-UHFFFAOYSA-N 325.367 5.121 0 40 EKAB CCCc1cc(=O)oc2c(C)c3occ(-c4cccc(OC)c4)c3cc12 488995 GGBLIODENUECSL-UHFFFAOYSA-N 348.398 5.476 0 40 EKAB biogenic O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc2ccccc12 513870 TXKAKNXXSXHMLF-UHFFFAOYSA-N 349.739 5.764 0 40 EKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 579749 YRMNKEDGLKGVKP-VIFPVBQESA-N 344.625 5.053 0 40 EKAB c1ccc(CCc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 1664274 CQSYTJJYPPHFDF-UHFFFAOYSA-N 336.438 5.596 0 40 EKAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc12 3214135 LWRCIIXPTQPCPL-UHFFFAOYSA-N 333.431 5.398 0 40 EKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2O)cc1 6381693 YEJVHQKZXPFCFA-UHFFFAOYSA-N 342.398 5.130 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccccc1CCc1ccccc1 13688213 ZEGZUDOBLIJDLE-UHFFFAOYSA-N 329.443 5.341 0 40 EKAB Clc1ccccc1COc1ccc(CNC2CCCCC2)cc1 16449866 ARPYLWKAOQLLCO-UHFFFAOYSA-N 329.871 5.341 0 40 EKAB Clc1ccccc1COc1cccc(CNCc2cccs2)c1 16450082 IIGFLBCLWIITNT-UHFFFAOYSA-N 343.879 5.270 0 40 EKAB Cc1ccsc1-c1nc(-c2cc(C)n(-c3ccon3)c2C)cs1 28334440 KRWKAKZLMCPRCH-UHFFFAOYSA-N 341.461 5.243 0 40 EKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 36563140 LRKDTIPYGVQNLX-JOCHJYFZSA-N 345.442 5.147 0 40 EKAB COc1ccc2oc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c2c1 41156490 FDKVORGCYFMBBX-UHFFFAOYSA-N 349.308 5.021 0 40 EKAB CCc1ccc(C2(c3ccc(CC)cc3)OC(=O)c3ccccc32)cc1 59416336 SCNYAIKKNYMMDU-UHFFFAOYSA-N 342.438 5.274 0 40 EKAB Clc1ccc(-c2csc(-c3ccnc(Cl)c3)n2)c(Cl)c1 89263533 CWQKKVMMKQWPMR-UHFFFAOYSA-N 341.650 5.832 0 40 EKAB CC1(C)CC2=C[C@@]3(C)CC(C)(C)C[C@]4(C3)Nc3ccccc3C(=C24)C1 102453273 PHBAQGYYSGARNA-BJKOFHAPSA-N 333.519 6.581 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C)cc1C 113970262 LRRHYXRBHINZRU-SFHVURJKSA-N 331.843 5.061 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 225480506 BLSAFGSYKHFORY-HNNXBMFYSA-N 338.398 5.143 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)c1 225537897 WZWDIPVSGVPSBE-INIZCTEOSA-N 342.508 5.138 0 40 EKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC[C@@H](C)C1 225661266 PQBLOMQJYJVMDX-LLGFUMIMSA-N 347.499 5.178 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(N)c1 226348192 AVVHULVEJHRXIU-UHFFFAOYSA-N 340.810 5.051 0 40 EKAB Clc1ccc(N=c2[nH]c3c(s2)CCc2ccccc2-3)c(Cl)c1 408879987 GKNDKQKVBGTZNX-UHFFFAOYSA-N 347.270 5.381 0 40 EKAB Fc1ccc(-c2csc3ncnc(Nc4ccccc4F)c23)cc1 137156 QBWCXOBOKONWEY-UHFFFAOYSA-N 339.370 5.380 0 40 EKAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 207714 BELLZJOEHBTPBT-OAQYLSRUSA-N 328.415 5.020 0 40 EKAB NC1=NC2=C(CCC/C2=C\c2ccccc2)[C@@H](c2ccccc2)S1 1875790 PIPGYAQPEYOBLO-BBKFTCMMSA-N 332.472 5.311 0 40 EKAB S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CCCO1 3335912 FQJBXCXAEHYUJJ-QGZVFWFLSA-N 336.460 5.059 0 40 EKAB Clc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1 4344507 WHDZQEONHSHILX-SFHVURJKSA-N 338.863 5.757 0 40 EKAB Cc1ccc(-c2nc3ncccn3c2Nc2ccc(C)c(C)c2)cc1 4734249 AJCIZIJRFKBRTA-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB CC(C)(C)c1cc(C23CC4CC(CC(C4)C2)C3)cc(C(C)(C)C)c1O 4769833 GTZRQXOSBLPQGV-UHFFFAOYSA-N 340.551 6.455 0 40 EKAB CCCCC/C=C/C/C=C\CCCCCCCC1=N[C@@](C)(CO)CO1 17148018 NYSIRRGURPKWBW-LEEUXRLSSA-N 349.559 5.980 0 40 EKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(C)C 20459516 VQOGTHWOPKBLIB-HXUWFJFHSA-N 325.452 5.223 0 40 EKAB CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)s1 32768568 JJDSSNIKQHVYQZ-AWEZNQCLSA-N 349.455 5.109 0 40 EKAB CCc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44837921 FMJSKHWRDIWLQC-UHFFFAOYSA-N 341.414 5.045 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(C)C)cc1 44946955 DQMCAVUQELLDOJ-KRWDZBQOSA-N 331.843 5.260 0 40 EKAB CCCN(Cc1c(C)noc1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 59350329 SJVHLEUVLBFWMN-LBPRGKRZSA-N 341.282 5.571 0 40 EKAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCc1cscn1 78604294 FSFPAAVZTBNOOR-JTQLQIEISA-N 349.912 5.079 0 40 EKAB C[C@]12CC3CC(NC(=S)Nc4ccc(Cl)cc4)(C1)C[C@](C)(C3)C2 100980714 ODUIESNNBYYGMU-HSOIFAIESA-N 348.943 5.375 0 40 EKAB COc1cc(C)c(C(=O)NCc2cccc3ccccc23)cc1C(C)C 222899173 AUGVUYQAWAIEQE-UHFFFAOYSA-N 347.458 5.210 0 40 EKAB Cc1ccc(C(=O)NC[C@@H](C)Cc2cccc3ccccc23)c(C)c1 225057802 ZGRBZMXJFWMVCT-KRWDZBQOSA-N 331.459 5.065 0 40 EKAB Cc1ccc(COc2ccc(/C=C3\C(=O)Nc4ccccc43)cc2)cc1 409113088 NKPFSWQVSUFLBP-STZFKDTASA-N 341.410 5.067 0 40 EKAB CCCOc1ccc(N[P@](C)(=O)Oc2ccc(CC)cc2)cc1 1847527 ZDWDAYKHMMZSBA-HSZRJFAPSA-N 333.368 5.352 0 40 EKAB Clc1cc2c(cc1Cl)Sc1cc(Cl)c(Cl)cc1O2 2055015 VTMDFPQXCBIMRQ-UHFFFAOYSA-N 338.042 6.557 0 40 EKAB COc1ccc(-c2nc(-c3ccccc3C)[nH]c2-c2ccccc2)cc1 4813070 KACNSRBWNSFBNU-UHFFFAOYSA-N 340.426 5.728 0 40 EKAB CC1=CC[C@@H]([C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 4832275 WNJQFPUJKIPERU-UYKQMDHISA-N 326.480 5.830 0 40 EKAB Cc1c(C(=O)Nc2ccc(N3CCCCCC3)cc2)oc2ccccc12 5245346 HKNXVLSLCWPTCU-UHFFFAOYSA-N 348.446 5.374 0 40 EKAB O=C(CC1CCCC1)Nc1ccccc1-c1nc2ccccc2s1 6507801 OIAHJMZNTXXSGE-UHFFFAOYSA-N 336.460 5.482 0 40 EKAB Cc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1C 6584299 APKVPSIGLSEOEU-UHFFFAOYSA-N 325.415 5.657 0 40 EKAB C[C@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 6896770 AATAWSBQBBKLKG-QVKFZJNVSA-N 346.405 5.028 0 40 EKAB O=C(O)c1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@H]2C=CC[C@H]21 7098998 XLGZLWYORQKFQM-GSHUGGBRSA-N 341.410 5.365 0 40 EKAB COc1cccc(/C=C/C(=O)Nc2cccc(Oc3ccccc3)c2)c1 7986966 ZPPNVDXKJNQDSK-BUHFOSPRSA-N 345.398 5.139 0 40 EKAB O=C(CC1CCCCC1)Nc1cc(Cl)ccc1N1CCCCCC1 8184237 NCGGYOCPWHTMEV-UHFFFAOYSA-N 348.918 5.629 0 40 EKAB COc1cccc(CNC2CCCCCC2)c1OCc1ccccc1 8495489 WAVHLEWPOUHTFO-UHFFFAOYSA-N 339.479 5.087 0 40 EKAB CC(C)C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 22517677 FEEINWDPZAKZRR-JXOMPUQVSA-N 327.855 5.257 0 40 EKAB Clc1ccc(CN2CC=C(c3nc4ccccc4s3)CC2)cc1 26289465 ASYJQHKPLFUJFY-UHFFFAOYSA-N 340.879 5.239 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1C 30868231 XJVBZTWRAVBJHN-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Fc1ccc2nc(-c3cc(Cl)cc(Cl)c3Cl)sc2c1 45920128 GMSXEWZAKJJPBV-UHFFFAOYSA-N 332.614 6.063 0 40 EKAB Cc1cc(F)ccc1-c1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)o1 95468345 CBSZAEWKRAWPMR-UHFFFAOYSA-N 332.378 5.760 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)cc(C)cc1C 216483268 TWIWQNOKMFBCSI-QGZVFWFLSA-N 347.911 5.775 0 40 EKAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 222900881 BAZJEFLIAOWOJC-INIZCTEOSA-N 335.491 5.354 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 223052451 ONLKLZINFYEDAJ-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB CCc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1 409117353 NEAFQJDFPXBJBK-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB CCc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1 409126774 CCCRDLHZULGQCM-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(F)cc3)ccc2o1 105901 UIXOFHRWEHTBQL-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Cc1cccc(-c2nc(NCCc3ccccc3)c3ccccc3n2)c1 144299 KDKVUMUQKOVEGL-UHFFFAOYSA-N 339.442 5.260 0 40 EKAB COc1ccc(C2=Nc3ccccc3N[C@H](c3ccccc3)C2)cc1 207396 DXOPUEXBBRFWKJ-NRFANRHFSA-N 328.415 5.373 0 40 EKAB CC[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 343165 BLWVUZFVLMJSIJ-CYBMUJFWSA-N 333.884 5.161 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2ccc(C(C)C)cc2)c(C)c1 1913888 ZWNRMWIYERNYMT-UHFFFAOYSA-N 325.452 5.225 0 40 EKAB Cc1cc2occ(CC(=O)NC3CCCCCC3)c2cc1C(C)C 6083689 WIJTVJNJGXPKKV-UHFFFAOYSA-N 327.468 5.246 0 40 EKAB CCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 7262292 LZDMEHCKQZHEKX-UHFFFAOYSA-N 339.866 5.572 0 40 EKAB CCCCCC[C@@H](C)Nc1ncnc2sc(-c3ccccc3)cc12 7651269 KGRWUMREWNCUAH-OAHLLOKOSA-N 339.508 6.129 0 40 EKAB c1cncc(-c2nc(NC3CCCCCCC3)c3ccccc3n2)c1 13140940 KPHDEGYZCGJLCL-UHFFFAOYSA-N 332.451 5.217 0 40 EKAB C[C@@H](c1ccccc1)c1nc2ccccc2n1C[C@H](C)c1ccccc1 26533490 HYSVNKWCHLLMGA-OALUTQOASA-N 340.470 5.992 0 40 EKAB C[C@@]1(c2ccc(F)cc2)CC(c2ccc(F)cc2)=Nc2ccccc2N1 34808960 KJXJTLZPVKUSJH-QFIPXVFZSA-N 348.396 5.817 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 44845156 OEEDXSCVLZEBDP-UHFFFAOYSA-N 329.614 5.599 0 40 EKAB O=C(O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 45919917 QWKKJTXMGPIWTM-UHFFFAOYSA-N 342.565 5.153 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59477524 APFPSQCLTAJLPJ-FYPAKXHLSA-N 345.442 6.112 0 40 EKAB CCCCCC1(CCCCC)NC(=S)N(c2ccc(C)cc2)N1 59488400 ACHMNYYPKTYTFV-UHFFFAOYSA-N 333.545 5.051 0 40 EKAB Clc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 70133952 BEZRPCXXOSWFOO-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB O=C(Nc1cccs1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206881292 JWPXEDKLIHRBGV-CQSZACIVSA-N 334.872 5.203 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(Cl)cc2C)cc1 222876668 SZGOKSWSSHBVRC-GOSISDBHSA-N 331.843 5.007 0 40 EKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1Cl 223339000 MJVJYWOOGKAMAW-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB CC(C)Oc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224974850 AEJRJQZCJHWTDM-UHFFFAOYSA-N 345.442 5.322 0 40 EKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(C)c(C)c1 225310276 BCCOWOKQRUSWJB-IBGZPJMESA-N 329.871 5.157 0 40 EKAB CCCCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OCC 408620214 LCDLSMBZJGAOIE-UHFFFAOYSA-N 341.451 5.133 0 40 EKAB Cc1ccc(C)c(NCc2cccc(OCc3ccccc3F)c2)c1 409110362 VGPCHNKMPYBPCM-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CCc1ccccc1NCc1cccc(OCc2cccc(F)c2)c1 409120305 TVFTYIDAAZSREC-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB BrC1(Br)[C@@H]2CCCCC[C@]21c1ccccc1 494881 WCAGTIHPELSEOV-OLZOCXBDSA-N 344.090 5.004 0 40 EKAB CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1 516616 ZDNJMEGLMXZXHQ-UHFFFAOYSA-N 327.811 5.194 0 40 EKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3C)N=C(O)CCN21 533751 LHTCNJJOPHLNKK-ABSORMQESA-N 346.474 5.171 0 40 EKAB biogenic CC[C@H](C)c1ccccc1NC(=O)COc1ccc2ccccc2c1 568892 HXLRTIJRXNXEGC-INIZCTEOSA-N 333.431 5.371 0 40 EKAB CCN(CC)C1=NC=CC(c2ccccc2)=C[C@@H]1Cc1ccccc1 1020102 NFIPWGKWVMOVFY-QFIPXVFZSA-N 330.475 5.197 0 40 EKAB C/C=C/c1ccc(Oc2ncnc3sc(C)c(C)c23)c(OC)c1 1099229 MFYKSAPGEGKDRT-AATRIKPKSA-N 326.421 5.142 0 40 EKAB COc1ccc(Oc2nnc(Cc3ccccc3)c3ccccc23)cc1 1384847 JWODYPUFKDBNJC-UHFFFAOYSA-N 342.398 5.022 0 40 EKAB Cc1cccc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn23)c1 2375441 SMZIWDIOLCKAAB-UHFFFAOYSA-N 348.475 5.126 0 40 EKAB CCCCc1ccc(NC(=O)c2cccc(Br)c2)cc1 3112259 NKARKQLHHKOHMH-UHFFFAOYSA-N 332.241 5.044 0 40 EKAB O=C(NC1CCCCCC1)c1sc2cc(Cl)ccc2c1Cl 3221648 AWGIAFUVZVRTIT-UHFFFAOYSA-N 342.291 5.661 0 40 EKAB Cc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 3561810 REJRBGYWLBQDFP-UHFFFAOYSA-N 344.208 5.064 0 40 EKAB Cc1ccc(C(F)(F)F)cc1NC(=S)Nc1cccc(Cl)c1 4081784 LNGLVNCVWBDMQD-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB CC(C)(C)N1C=C(c2ccccc2)N=C[C@@]1(c1ccccc1)C(C)(C)C 5202743 VKVLQRFVULZHGI-XMMPIXPASA-N 346.518 6.112 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccccc1Cl 6344515 WAAJRGBZRHSKAM-UHFFFAOYSA-N 338.794 5.776 0 40 EKAB ClC(Cl)(Cl)SN(Cc1ccccc1)Cc1ccccc1 6829487 VWTIUOPZENKLKF-UHFFFAOYSA-N 346.710 5.665 0 40 EKAB COc1ccc(OC)c(-c2csc(N[C@@H](C)c3ccccc3)n2)c1 7643390 VWTMVKXPDNRZRB-ZDUSSCGKSA-N 340.448 5.000 0 40 EKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2cc(C)ccc2C)c(C)c1 7718699 QWTOYLFEEIVRMD-KRWDZBQOSA-N 327.493 5.348 0 40 EKAB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 8371929 BBIMMPGKMQGNGI-OEAKJJBVSA-N 345.398 5.023 0 40 EKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 9140059 GKDBHHXYMIBYBG-UHFFFAOYSA-N 333.387 5.048 0 40 EKAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 10111722 AROGQNWNTNCPFS-MRXNPFEDSA-N 337.507 5.773 0 40 EKAB CCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13068574 UQEJFCJEOYQHEN-SFHVURJKSA-N 334.507 6.187 0 40 EKAB S=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 13547331 YQHAKAQTVBEQLX-UHFFFAOYSA-N 337.875 5.472 0 40 EKAB Fc1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1Cl 16318551 GGPMYJOIWPIQNJ-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Cc1ccc(Nc2ncccc2C(=O)Nc2ccccc2Cl)cc1 22072372 WDJILDVTEAZZRE-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1C 22538130 OUJGBPGBQPYLAS-AWEZNQCLSA-N 335.369 5.122 0 40 EKAB Cc1cc(C)cc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)c1 27586142 FWWOTHQMZFNINV-UHFFFAOYSA-N 342.446 5.374 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc(CSc2ccccc2)o1 28195331 WCEAMNMCUVFBQL-UHFFFAOYSA-N 337.444 5.441 0 40 EKAB CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2ccccc2o1 33694647 NVNQVACGUISNTK-UHFFFAOYSA-N 349.459 5.312 0 40 EKAB Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(O)CCCC1=N2 102720380 WRNHOAZMAYRBIS-OAHLLOKOSA-N 349.217 5.504 0 40 EKAB CCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225701025 MNJRBYIOAQCQSA-HXUWFJFHSA-N 335.488 5.015 0 40 EKAB Cc1ccc(NC(=S)NCCCc2cccc3ccccc23)c(C)c1 225807989 VXVOAFKLWNISON-UHFFFAOYSA-N 348.515 5.376 0 40 EKAB CCSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 409098197 KEMKCSQJGIHAGP-UHFFFAOYSA-N 329.856 5.008 0 40 EKAB O=C(Oc1ccc2cc(Br)ccc2c1)C1CCCCC1 364415 HQPKPJVNFOSFCQ-UHFFFAOYSA-N 333.225 5.088 0 40 EKAB Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3cc(C)ccc3n2)cc1 482229 YICKLYZSABTSDV-UHFFFAOYSA-N 344.458 5.145 0 40 EKAB O=C(Nc1ccccc1Cl)c1ccc(COc2ccccc2)cc1 482496 SVVNWLNDNHLDCE-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl 998299 FFMIKNJCJJGZMI-UHFFFAOYSA-N 349.044 5.230 0 40 EKAB Clc1cccc(N2COc3ccc4ccccc4c3C2)c1Cl 1768273 UKBGISZEJIULRE-UHFFFAOYSA-N 330.214 5.503 0 40 EKAB CC(C)CC[C@@]1(CCN[C@@H](C)c2ccccc2)CCOC(C)(C)C1 2111864 ZJDLVBRPNKOGFF-SIKLNZKXSA-N 331.544 5.739 0 40 EKAB biogenic CCCCCCSc1cc(C(N)=O)cc(SCCCCC)n1 3850998 MVBWUKOEFFRAFK-UHFFFAOYSA-N 340.558 5.135 0 40 EKAB biogenic Brc1ccc(-c2csc(NC3CCCCC3)n2)cc1 4677333 HMSVWTRFMOOGNW-UHFFFAOYSA-N 337.286 5.317 0 40 EKAB C[C@H](NCC[C@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1 4834776 OQCCEORISKRECA-OXJNMPFZSA-N 339.866 5.806 0 40 EKAB CC(C)CC[C@@H](CCNCc1ccccn1)c1ccc(Cl)cc1 6662514 CPGFYXCUVMTLJF-SFHVURJKSA-N 330.903 5.435 0 40 EKAB Cc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 7279153 QSJWMXHHSLAPKB-QFIPXVFZSA-N 340.426 5.512 0 40 EKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)nc2c1 9141167 KTPDIPKDUJJUTQ-UHFFFAOYSA-N 336.435 5.405 0 40 EKAB Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C(F)(F)F)c(C)c1 28221325 JBVPRMKOQJOUAC-ZDUSSCGKSA-N 336.357 5.205 0 40 EKAB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC/C=C/C(=O)O 64219885 FNNBUXCDSMUGNX-DDZLHZAHSA-N 330.512 6.773 0 40 EKAB c1ccc(CN2CCCC[C@H]2c2cccnc2Nc2ccccc2)cc1 72214165 BQVOMJFQSAPREV-QFIPXVFZSA-N 343.474 5.552 0 40 EKAB C[C@H](Sc1ccc(C(F)(F)F)cn1)c1ncc(C(C)(C)C)o1 95406429 RSRWECFVFMFASD-VIFPVBQESA-N 330.375 5.239 0 40 EKAB CCCCCOc1ccc(Br)c(OCCCCC)c1 95915469 BZYXEMJZXRUAKW-UHFFFAOYSA-N 329.278 5.587 0 40 EKAB Cc1ccc([C@@H]2Sc3ccccc3N=C3C[C@H](C)CC(O)=C32)cc1 102602471 VATRZACVUICDRY-QKKBWIMNSA-N 335.472 6.157 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(C)cccc1C 113951511 YRRSJEKPYKGLNW-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB CC(C)(C)c1ccccc1[C@@H](O)[C@H](O)c1ccccc1C(C)(C)C 138535205 JBTUENVCTZQMSZ-WOJBJXKFSA-N 326.480 5.049 0 40 EKAB CC(C)c1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 222681789 MDEANRMNORYMEX-UHFFFAOYSA-N 347.911 5.974 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 225321729 KUPYJWDUJHKCSL-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CCCCC/C=C/C/C=C\C/C=C/C=C\[C@H](O)CCCC(=O)OC 256929778 RWLSHOXCJVZJMD-NTZLRKIVSA-N 334.500 5.276 0 40 EKAB O=C(NCc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 408906927 KPZPVYQGKTXEOF-HMMYKYKNSA-N 347.845 5.197 0 40 EKAB Cc1c(-c2ccccc2Cl)c(=O)oc2ccc(Br)cc12 57983 CZIUXPFSKWYIHL-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB biogenic CCOC1=C(CN2CCCCC2)[C@H](c2ccccc2)Oc2ccccc21 1408489 XQLIBJSUSHCWAW-QFIPXVFZSA-N 349.474 5.054 0 40 EKAB Cc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(F)cc3)c2c1 1805869 HXGCVERPFVHZLB-HIXSDJFHSA-N 329.374 5.780 0 40 EKAB CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(Cl)cc1 4550371 MBDRMAIQQSSSQS-UHFFFAOYSA-N 346.839 5.261 0 40 EKAB Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3cccc(C)c3n2)cc1 5942507 CYWOUEXAERFMBD-UHFFFAOYSA-N 344.458 5.145 0 40 EKAB Cc1nc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cs1 12230024 TVKWYEWMBOZPKD-RDRICISKSA-N 348.471 5.009 0 40 EKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12 13689065 YWHHYEVBTWPKIE-MRXNPFEDSA-N 341.410 5.399 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]2CCCC[C@H]21 16385390 NZYJYAAVXPTNRR-IAQYHMDHSA-N 327.255 5.180 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)NC3CCCCC3)ccc21 20513586 UBTTWUODBONEJR-UHFFFAOYSA-N 335.451 5.269 0 40 EKAB Cc1oc(-c2cccs2)nc1CN[C@H](C)c1ccccc1Cl 22358152 OLGBKEDKADKTPD-LLVKDONJSA-N 332.856 5.216 0 40 EKAB CCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1OC 23650468 JEOKILBDQJOCRZ-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 35193788 CUOJJHDEHUPGNT-NCAQKEMTSA-N 342.266 5.757 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccccc1Cl 44884004 LSMMRKCTPZFLSW-QGZVFWFLSA-N 345.870 5.261 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)OC 71404818 VCDLWFYODNTQOT-PDKRSARISA-N 342.523 6.637 0 40 EKAB Cc1cc(C)c2oc(-c3ccc(Br)cc3Cl)nc2c1 73638107 XKBJCYWPVRUNCJ-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB CCCCCCC1(CCCCCC)c2ccsc2-c2sccc21 95830635 RTOLOMCKXMZOIH-UHFFFAOYSA-N 346.605 8.017 0 40 EKAB Cc1cc(F)ccc1N(Cc1ccco1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106623409 MQXLANKELNRPOB-ULQDDVLXSA-N 341.426 5.087 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 225115673 HMFLORQLRRIEAL-UWJYYQICSA-N 345.527 5.055 0 40 EKAB Cc1cc(C)c(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 225646950 GKILNXJHCPXYSB-QHCPKHFHSA-N 343.470 5.440 0 40 EKAB CCc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225850445 LBQBZEGWQBKPHD-UHFFFAOYSA-N 330.522 5.066 0 40 EKAB Clc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1 1389735 QAMDQZJSQHWQNS-UHFFFAOYSA-N 329.639 5.561 0 40 EKAB FC(F)c1cc(C(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 2745784 CIRHPGMEYLCGAC-UHFFFAOYSA-N 335.304 5.173 0 40 EKAB Oc1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1 3130588 PLFHCHUCVDRUTA-UHFFFAOYSA-O 325.387 6.267 0 40 EKAB CCCCCCSc1cc(C(N)=S)cc(SCCCC)n1 3851007 HJIRDIUGXFSDJX-UHFFFAOYSA-N 342.599 5.280 0 40 EKAB biogenic CCOc1cc(-c2ccc(O)cc2)cc(OCC)c2c(C)[o+]c(C)c1-2 4365815 KIZDKAWAHXKSCQ-UHFFFAOYSA-O 339.411 5.452 0 40 EKAB CCCCCCC(=O)N1c2ccccc2C(Nc2ccccc2)=C[C@H]1C 5261170 MNVPQVONVWPGBI-GOSISDBHSA-N 348.490 5.845 0 40 EKAB CCc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 6124122 ZOGKXXRTCUNWRW-UHFFFAOYSA-N 329.852 5.678 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 6308174 NNLBPJZDDOWXQY-STRFDMGBSA-N 348.273 6.159 0 40 EKAB COc1ccccc1/C=C/C1=C(C)CC[C@@H](c2ccccc2OC)[C@H]1C 6441820 TVPBJULSXPLFIN-NWPMYNPFSA-N 348.486 6.247 0 40 EKAB O=C(CN(C1=NCCCCC1)c1ccccc1)c1ccc(Cl)cc1 8436114 IOGGCZHDQBUAAW-UHFFFAOYSA-N 340.854 5.002 0 40 EKAB CC1=Nc2c(-c3ccc(F)cc3)c(C)nn2[C@H](c2ccc(F)cc2)C1 14607123 VPUAXKJOFWKCMY-SFHVURJKSA-N 337.373 5.222 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=S)NCCc1ccccc1 17071305 LZPCWAUDSAFMOB-UHFFFAOYSA-N 340.536 5.463 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(C)cc1 20042770 IVDTWFMTHKZEDN-WOJBJXKFSA-N 339.479 5.037 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCc2ccccc21 24832624 YGSPRKOZAOLYPE-NRFANRHFSA-N 335.491 5.992 0 40 EKAB CCc1ccc(C(=O)C[C@H](Nc2ccccc2)c2ccccc2)cc1 32117620 YQPFGSRWUXJPKO-QFIPXVFZSA-N 329.443 5.675 0 40 EKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OC 33619040 XAEYUPPXUAMYKO-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 38771572 YDOJXXXHNNDYAD-FXAWDEMLSA-N 341.520 5.379 0 40 EKAB c1ccc(Nc2nc(CN3CCC[C@H]3c3cccs3)cs2)cc1 40161564 AOGGAADGHPVNDT-INIZCTEOSA-N 341.505 5.285 0 40 EKAB CCc1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 44883461 WMCXFEZPYWBKJG-KRWDZBQOSA-N 333.884 5.412 0 40 EKAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(Oc2ccccc2)c1 71280292 HQYYKQFLEBXZIW-GOSISDBHSA-N 347.418 5.380 0 40 EKAB C[C@@H]1CCCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)C1 97105904 KXUSOWYMERZXOF-CQSZACIVSA-N 337.854 5.187 0 40 EKAB CCCSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 408749338 GAEUSRAXCOWACQ-UHFFFAOYSA-N 342.489 5.359 0 40 EKAB CCOc1ccc2nc(SCc3cc(C(C)C)on3)sc2c1 1505840546 QESPZNPICJLSQS-UHFFFAOYSA-N 334.466 5.099 0 40 EKAB S=c1nc(-c2ccccc2)n(CCc2ccccc2)c2c1CCCC2 101539 VSGVWUUAWVFUHF-UHFFFAOYSA-N 346.499 5.401 0 40 EKAB Cc1ccc(-c2ccn(-c3ccc(C)c(Cl)c3)c(=S)n2)cc1 152010 PPLRZHKXMNOACO-UHFFFAOYSA-N 326.852 5.539 0 40 EKAB Cc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3ccccc3)nc2n1 320617 RNEILKFUJGIGDZ-UHFFFAOYSA-N 342.446 5.374 0 40 EKAB Cc1ccc2oc(-c3ccc(NC(=O)C(C)C)c(Cl)c3)nc2c1 569602 WIXMYXLFWKKHFZ-UHFFFAOYSA-N 328.799 5.051 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2C)c(C)c1 1914089 PENAPQXGDSYJEC-UHFFFAOYSA-N 331.843 5.063 0 40 EKAB c1ccc(Sc2ccccc2Nc2nnc(-c3ccco3)o2)cc1 3257685 XPRITLWTGPHYGN-UHFFFAOYSA-N 335.388 5.224 0 40 EKAB CCc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 3348851 GYWQBRDCCRFOPI-KRWDZBQOSA-N 345.442 5.322 0 40 EKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3Cl)oc2C)c1 5033300 HIFJGALFHDLTLR-UHFFFAOYSA-N 339.822 5.778 0 40 EKAB CCCC1(CCC)OC[C@H](Cn2c3ccccc3c3ccccc32)O1 5261135 KXRPEINUCCUDJA-KRWDZBQOSA-N 337.463 5.506 0 40 EKAB O=C(OCc1ccc(Cl)cc1)c1ccccc1Nc1ccccc1 6269698 MQOXNIAOXJNPSI-UHFFFAOYSA-N 337.806 5.441 0 40 EKAB Cc1ccc(C(C)C)cc1OCCN1CCCC[C@@H]1c1cccnc1 6624440 CLWIQLXJKZBNJC-OAQYLSRUSA-N 338.495 5.119 0 40 EKAB biogenic Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 7264172 UKZNQVQFKYGXEI-CQSZACIVSA-N 331.843 5.178 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2ccccc2Oc2ccccc2)c1 22517258 YDBPBTKBMYCHCL-UHFFFAOYSA-N 331.415 5.277 0 40 EKAB CC(C)C[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1 22530121 LIBOVZQKPBUACM-NRFANRHFSA-N 339.479 5.092 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SC/C=C/c1ccccc1 58156333 QWJKHPOKAUMCDK-RZIFZGNASA-N 345.895 5.422 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1C 80344225 BUIROUVGOUOHLP-DLBZAZTESA-N 334.246 5.352 0 40 EKAB O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)Nc1ccccc1 100970378 OYJKKFPHGIIPIE-UOYQGRGCSA-N 345.486 5.553 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222955423 OQGCNQBHCMHNIJ-LJQANCHMSA-N 339.479 5.224 0 40 EKAB Cc1cc(C)c(C(=O)Nc2ccccc2Oc2ccccc2)cc1C 225647576 MGALVRZFVWTXST-UHFFFAOYSA-N 331.415 5.656 0 40 EKAB CCc1ccc2oc(-c3ccc(OCc4ccccc4C)cc3)nc2c1 226295027 LIAWHPWSRZKRCY-UHFFFAOYSA-N 343.426 5.945 0 40 EKAB Cc1ccc(-c2nc3ncccn3c2Nc2c(C)cccc2C)cc1 320594 SOYDAVZCZVZZBV-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB COc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(O)cc3)c2c1 1992254 NXTSXGNBAGCOSO-BSYVCWPDSA-N 343.382 5.046 0 40 EKAB CCN(CC)C(=O)/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 2698223 MKRKSVGDGYEKST-JXMROGBWSA-N 338.234 5.135 0 40 EKAB Clc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c12 3887740 MODPPOVFHFZOPS-UHFFFAOYSA-N 349.912 5.059 0 40 EKAB CCSc1ccccc1C(=O)Nc1nc2c(Cl)cccc2s1 4585694 LDKHGYSCGHGAHY-UHFFFAOYSA-N 348.880 5.314 0 40 EKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 4603739 IYRVYZZCNAFSSC-UHFFFAOYSA-N 348.151 5.193 0 40 EKAB CCOc1ccc(C(=O)OCC2c3ccccc3-c3ccccc32)cc1 4659217 YJBUZRGTRPYKIE-UHFFFAOYSA-N 344.410 5.055 0 40 EKAB C(=C/c1nc2cc(-c3ccccc3)ccc2o1)\c1ccc2c(c1)OCO2 5519630 SDZCZESCQKUWHR-YRNVUSSQSA-N 341.366 5.394 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(Cl)c1Cl 13787952 IKXFIDLWYQNFBF-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB O=C(NCc1cccc2ccccc12)c1ccccc1-c1ccccc1 20530435 IBWPQZLQBYNOPP-UHFFFAOYSA-N 337.422 5.437 0 40 EKAB CCc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 23621782 CQDRNWFTCUNCPM-UHFFFAOYSA-N 347.483 5.794 0 40 EKAB CCc1ccc2oc(C(=O)Nc3ccccc3OC(F)F)c(C)c2c1 27985984 HWWVFADDGJFFCH-UHFFFAOYSA-N 345.345 5.157 0 40 EKAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 30752795 PNMNDBUFWPGPPK-MRXNPFEDSA-N 341.451 5.003 0 40 EKAB O=C(CCCc1ccccc1)Nc1ccccc1Sc1ccccc1 59241773 SZJFXBAXTJNYEK-UHFFFAOYSA-N 347.483 5.799 0 40 EKAB Cc1nnc(S[C@@H]2CCc3ccc(F)cc32)n1C1CCCCC1 72312848 BLHJSQYHFPZJAE-QGZVFWFLSA-N 331.460 5.010 0 40 EKAB C[C@H]1[C@H]2C[C@H](c3ccc(OC(=O)Nc4ccccc4)cc3)[C@@H](C2)C1(C)C 101303611 COBDRXXOEJTYQG-YHEJVBIMSA-N 349.474 6.083 0 40 EKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C1 217383758 JLMIEJPAIDUIPY-NXKACYDGSA-N 344.326 5.005 0 40 EKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225740033 XHFVEZVKNLYZAG-UZLBHIALSA-N 335.488 5.096 0 40 EKAB O=C(Nc1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 408585924 KFKDOCGMZVSHHV-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1 408926569 USRACNYXPYWOTH-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB CCCOc1ccc(CNc2cccc(Cl)c2C)cc1OCC 409117295 QTSRMCYGGCJFBU-UHFFFAOYSA-N 333.859 5.448 0 40 EKAB CC[C@H](C(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 575360372 CAYILWSAURKCDV-ZDUSSCGKSA-N 326.745 5.735 0 40 EKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc2ccccc2c1 568689 HKPHTGNZEHHLRJ-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB CC(C)(C[C@H](CCc1ccccc1)c1ccccc1)c1ccccc1 1685177 TZYRDPBHTDYVNC-QHCPKHFHSA-N 328.499 6.771 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(NCc4ccccc4Cl)c23)C1 1972863 ACFXFLSCZPFLKQ-LLVKDONJSA-N 343.883 5.082 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@H](Nc2ccccc2)c2ccccc2)c1 3327624 LLDVHTHYXJXWQV-OAQYLSRUSA-N 330.431 5.095 0 40 EKAB Fc1cccc2sc(Nc3nc(-c4cccs4)cs3)nc12 4137670 ASLPEDRXGBAMKR-UHFFFAOYSA-N 333.438 5.364 0 40 EKAB CCCCCCC1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1 4739571 DNOJUBCLMDJTJT-UHFFFAOYSA-N 346.902 6.634 0 40 EKAB COc1ccc2sc(Nc3cc(Cl)cc(Cl)c3)nc2c1 5122864 UQTSDNXWQMWJTQ-UHFFFAOYSA-N 325.220 5.355 0 40 EKAB COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3s2)cc1 7778906 ASJANCAYUBRAQI-UHFFFAOYSA-N 349.864 5.029 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1ccc(COc2ccccc2)o1 8278998 JYZOFNJSXZKYEY-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB Cc1nc2ccccc2c(-c2ccccc2)c1Sc1ccccc1 16249296 PLIFWBDZPGCUCJ-UHFFFAOYSA-N 327.452 6.361 0 40 EKAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl 19199667 ZUGBRDXGPQFRDF-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB Cc1cc(OCCNc2ccccc2OC(C)C)cc(C)c1Cl 19737473 AHPWROHEVWKCKH-UHFFFAOYSA-N 333.859 5.235 0 40 EKAB CCOc1ccccc1CNc1cc(Cl)c(Cl)cc1Cl 19737935 HAJLDMMDKBREGC-UHFFFAOYSA-N 330.642 5.658 0 40 EKAB Clc1cc(Cl)c2c(c1)C=C1CCCC[C@]1(N1CCCCC1)O2 19770658 RTKAPRCEVJCYGI-SFHVURJKSA-N 338.278 5.525 0 40 EKAB CCCCn1nc(C)c(C(=O)Nc2ccc(C(C)C)cc2)c1Cl 20900629 XJMPZLVTDGRKQK-UHFFFAOYSA-N 333.863 5.021 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1ccc(Cl)c(Cl)c1 35193749 SVARYGKGRMWTLF-DETPVDSQSA-N 344.282 6.003 0 40 EKAB Clc1cc(NCc2ccccc2Cl)ccc1Br 59720558 QTIPOUWMOOPUQE-UHFFFAOYSA-N 331.040 5.368 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(F)cc2Cl)c(Cl)c1 71761745 JXYSNPQNZFQRJL-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCC(=O)O 255285297 YUFFSWGQGVEMMI-UUQHCRCUSA-N 330.512 6.773 0 40 EKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccccc1 409109956 ONCRCEFAKKCBGG-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB c1csc(-c2nc3ccccc3n2Cc2cccc3ccccc23)c1 104753 DKGLUEHOQAKOED-UHFFFAOYSA-N 340.451 5.966 0 40 EKAB O=C(Nc1cccc2ccccc12)N[C@@H]1CCCC[C@H]1Cc1ccco1 494506 JQZFQBRHCLMOBB-FXAWDEMLSA-N 348.446 5.356 0 40 EKAB CCC(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 560718 YKYWTKZGGLXYBY-UHFFFAOYSA-N 332.230 5.589 0 40 EKAB CCCCSc1nc(SCCCC)c2c3c([nH]c2n1)CCCC3 2117743 MMPBPSLGHPKWSY-UHFFFAOYSA-N 349.569 5.621 0 40 EKAB O=C(O)CCCCCCC(=O)c1cccc(Oc2ccccc2)c1 2580004 GMGZTSMAAFRYPG-UHFFFAOYSA-N 326.392 5.087 0 40 EKAB FC(F)(F)c1cnc(Oc2ccc(-n3cccc3)cc2)c(Cl)c1 3063512 VQBGXFAEAVHYBY-UHFFFAOYSA-N 338.716 5.337 0 40 EKAB Cc1sc2ncnc(Oc3ccc4oc5ccccc5c4c3)c2c1C 3283992 YJPIJFMFSLCVGT-UHFFFAOYSA-N 346.411 6.000 0 40 EKAB COc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 3387297 OVNJDGKPHVZVNT-QGZVFWFLSA-N 346.426 5.321 0 40 EKAB C(=C/c1nc(-c2ccccc2)cc(-c2ccccc2)n1)\c1ccccc1 4127702 FQVJZPZIGPNRKC-WUKNDPDISA-N 334.422 5.981 0 40 EKAB CC(C)CC[C@@]1(CCNCc2ccc(F)cc2)CCOC(C)(C)C1 5477850 ZFEHHIJUEKZXPM-OAQYLSRUSA-N 335.507 5.317 0 40 EKAB CCCCC(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 5501855 LRXVVSFJPWXDAC-UHFFFAOYSA-N 344.414 5.777 0 40 EKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2N[C@H]3c2cccs2)cc1 6678042 AMFJTNYWDUKHMC-AZUAARDMSA-N 349.434 5.163 0 40 EKAB COc1ccccc1CC(=O)Nc1c(C(C)C)cccc1C(C)C 6785755 SYDIPJGJKQFXHM-UHFFFAOYSA-N 325.452 5.123 0 40 EKAB O=C(Nc1cccc2ccccc12)N1CCC(c2ccccc2)CC1 6864098 FMADMIBIRNLRKB-UHFFFAOYSA-N 330.431 5.251 0 40 EKAB Fc1ccc([C@@H](Nc2ncnc3sccc23)c2cccs2)cc1 8325665 LMBONRRZPZGJAX-OAHLLOKOSA-N 341.436 5.093 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 10330926 ONOJKRDAWHBIBH-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB CCc1ccc([C@H](NC(=O)c2ccccc2C)c2cccc(F)c2)cc1 12692872 IVMUBFRPQGCOSO-QFIPXVFZSA-N 347.433 5.216 0 40 EKAB CSc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1 12816032 ZQUXZOGGVGLCST-UHFFFAOYSA-N 334.444 5.031 0 40 EKAB CCCc1ccc([C@H](C)NC(=O)Nc2cccc(SC)c2)cc1 13320046 TUBZXYGHSABUMK-AWEZNQCLSA-N 328.481 5.244 0 40 EKAB CCCCCc1cc(C)c(CCCCCCCCCCC(=O)O)o1 14592866 QDTBMEGPXZUECM-UHFFFAOYSA-N 336.516 6.459 0 40 EKAB endogenous,in-man CC1=CCC2=C(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H](C(C)C)C[C@H]12 15264297 CGKOFSIWAPIHCH-NJYVYQBISA-N 340.463 5.266 0 40 EKAB biogenic CC1=CCC2=C(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@H](C(C)C)C[C@@H]12 15264299 CGKOFSIWAPIHCH-ACRUOGEOSA-N 340.463 5.266 0 40 EKAB biogenic Clc1cc(Cl)cc(-c2ccc(CNCCc3ccccc3)o2)c1 22076550 CFWLXUCEGANJSN-UHFFFAOYSA-N 346.257 5.586 0 40 EKAB Cc1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 27015833 AUWNPFMEDZFXSK-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 36874447 MNMKKOSQRNVYRP-CYBMUJFWSA-N 348.427 5.047 0 40 EKAB CCCCCc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 43214336 CIRRQKWCBLXQPR-UHFFFAOYSA-N 332.484 5.506 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C)c1C 44883281 GWGHUPXAUWQGAR-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB Cc1ccc2nc(Nc3nc4cc(Cl)ccc4s3)oc2c1C 57352918 ZXTISWJWALLSAS-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB CCN(CC)c1ccc(NC(=S)Nc2ccc(F)c(C)c2)c(C)c1 71326123 MOWVIAYBYVGOBC-UHFFFAOYSA-N 345.487 5.098 0 40 EKAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2c(Cl)cc(Cl)cc2n1 78401704 RIEBYTUPKVBNEY-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB CC[C@@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 85430329 YAUWRDYQOFEPPN-DNVCBOLYSA-N 332.447 5.297 0 40 EKAB CC(C)(C[C@@H](CCc1ccccc1)c1ccccc1)c1ccccc1 90766043 TZYRDPBHTDYVNC-HSZRJFAPSA-N 328.499 6.771 0 40 EKAB Cc1c(-c2nc3ccccc3s2)c(N)n(C2CCCCC2)c1C 102471808 GCZWMIDLJMLZNM-UHFFFAOYSA-N 325.481 5.469 0 40 EKAB CCCOc1ccc(Cl)cc1CNc1ccc(Cl)c(Cl)c1 106975775 DMPQNPKIVZHVRI-UHFFFAOYSA-N 344.669 6.048 0 40 EKAB FC(F)(F)CCCCCCCCCCCCCCCC(F)(F)F 169795192 GEQXOOPUCARJNH-UHFFFAOYSA-N 348.415 7.963 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CCCCCCC1 223022860 KNKPQGPZLLQFJZ-GOSISDBHSA-N 337.891 5.035 0 40 EKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2 223413462 FXPXMPKZPDYSKQ-HNNXBMFYSA-N 347.483 5.199 0 40 EKAB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCC[C@H](C)C1 260814490 JOKFQDMHTZUNEH-HZUJVAHNSA-N 347.499 5.096 0 40 EKAB CCOc1ccc(Br)cc1CNc1cc(C)ccc1C 409109482 FVSVJCFYEOWGND-UHFFFAOYSA-N 334.257 5.077 0 40 EKAB COc1ccc([C@H](c2c(C)[nH]c3ccccc23)N2CCCCC2)cc1 72156 VLCZJVCINUKQMY-JOCHJYFZSA-N 334.463 5.060 0 40 EKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccs4)c3)oc2c1 569645 VTWHCSYNYHEABC-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB FC(F)(F)c1nc2ccccc2nc1Sc1ccc(Cl)cc1 1401715 JHOSKZJPNKQTFT-UHFFFAOYSA-N 340.757 5.453 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1CC1[C@@H](C)CC(C(C)(C)C)C[C@@H]1C 1719232 ZSPUXNPPFAIXNL-OGWRGKRKSA-N 342.611 7.488 0 40 EKAB Cc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3ccc(C)o3)nc2n1 4734180 HWTHAAPLHXNMQQ-UHFFFAOYSA-N 346.434 5.275 0 40 EKAB Cc1cccc(NC2=NC(=S)N(c3cccc(C)c3)C23CCCC3)c1 5687802 HDHIFBMQPCSLEP-UHFFFAOYSA-N 349.503 5.232 0 40 EKAB O=C(N[C@H](c1ccccc1)c1cccs1)[C@H]1CCCc2ccccc21 12870840 RTTRGUQMEALPPF-PZJWPPBQSA-N 347.483 5.074 0 40 EKAB CCCCc1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 13789497 GJNOKKWNMIBUSQ-UHFFFAOYSA-N 332.900 5.800 0 40 EKAB COc1ccc(Cl)cc1Nc1nc(C)nc2c1oc1ccccc12 17249556 TYWZEHIYTOUKQL-UHFFFAOYSA-N 339.782 5.090 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccccc1 20111080 MWBNUPRZYNIJJJ-VXKWHMMOSA-N 347.458 5.265 0 40 EKAB Cc1csc(Sc2ccc(NC(=O)NC3CCCCC3)cc2)n1 58393540 WFHYSGUOFBUPTO-UHFFFAOYSA-N 347.509 5.057 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 223150950 RRZITRBWKODLOQ-OBHPCNEJSA-N 347.502 5.363 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc2c3c(cccc13)CC2 224435868 UMZWAQAWGCWVOU-FQEVSTJZSA-N 345.442 5.043 0 40 EKAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC[C@@H]2C[C@]12CS2 253499905 RAGKRCXTWZPJJM-FAIYVORSSA-N 332.553 5.330 0 40 EKAB biogenic Cc1cc(Br)cc(C)c1C(=O)C[C@H](C)CC(C)(C)C 575362272 COPHLPVGOBTJEB-NSHDSACASA-N 325.290 5.711 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 258669 NQGXTEWRPBEVSZ-UHFFFAOYSA-N 345.320 5.120 0 40 EKAB c1ccc2oc(Cc3ccc(Cc4nc5ccccc5o4)cc3)nc2c1 481707 VCPJENOVTITMSR-UHFFFAOYSA-N 340.382 5.151 0 40 EKAB CCC(CC)C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C 506142 WZIAJJLOPZTIHB-OXQOHEQNSA-N 336.479 5.401 0 40 EKAB COCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccc2)n1 1392278 YWIQHRNOJXUJIY-UHFFFAOYSA-N 342.851 5.095 0 40 EKAB C[C@H](NCCc1ccccc1)[C@H](C)C(c1ccccc1)c1ccccc1 1836510 VUZGHCOZWVELNI-SFTDATJTSA-N 343.514 5.675 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)Sc1nc2ccccc2o1 4600319 KTUXXLBVDXCXSS-UHFFFAOYSA-N 339.203 5.459 0 40 EKAB c1ccc(Cc2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1 4730258 UWJNSCIFXFGBEQ-UHFFFAOYSA-N 342.486 5.622 0 40 EKAB CCc1cccc(C)c1NC(=O)Cc1ccc(-c2ccccc2)cc1 6543989 WPZFNJZACYIFJO-UHFFFAOYSA-N 329.443 5.406 0 40 EKAB CCc1ccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc1 6943485 DRMCFRVGMOCQOK-FVJLSDCUSA-N 333.431 5.082 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12799328 OPLJNOMLAATMDC-UHFFFAOYSA-N 349.434 5.093 0 40 EKAB Cc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c(C)c1 13841072 XJJAGTKWCPCGPK-UHFFFAOYSA-N 340.536 6.359 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 20039242 NTMKOLGFOJXLHC-OAHLLOKOSA-N 340.275 5.503 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C(C)C)cc1 30756887 GFDNDVILRIKFGG-FQEVSTJZSA-N 325.452 5.223 0 40 EKAB COC1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 31861087 NKWZNFOLDIHRJW-GFJXEVPCSA-N 328.496 5.295 0 40 EKAB COc1ccc(-c2cnc(SC(C)C)n2-c2ccc(C)cc2)cc1 44085513 STDPGKJUYVBUGA-UHFFFAOYSA-N 338.476 5.357 0 40 EKAB C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(F)cc1 44901951 QOUQFXCCWBSDGU-QGZVFWFLSA-N 347.433 5.102 0 40 EKAB CC(=O)c1cccc(Nc2nc(-c3ccccc3Cl)cs2)c1 67321805 COPFOVDMQZEHBP-UHFFFAOYSA-N 328.824 5.410 0 40 EKAB Cc1nc(C)c(C[S@](=O)[C@H](C)c2ccc(Cl)cc2Cl)s1 78731030 GNIRQIWAWVAASC-GSDQLPOLSA-N 348.320 5.077 0 40 EKAB CCOc1ccc2nc(Sc3ccc(Cl)cc3)c(C=O)cc2c1 89261601 PNCILGRDEHIROS-UHFFFAOYSA-N 343.835 5.251 0 40 EKAB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1(C)C 96031506 XRAHVFWRNAIIPG-ZYXNGHQDSA-N 328.496 6.239 0 40 EKAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1Cl 225706322 MSBJHPQSVWEZFZ-CYBMUJFWSA-N 348.899 5.013 0 40 EKAB CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C\C/C=C/CCCC(=O)OC 299888519 MQCWCUDQEBWUAM-PXYHNBLASA-N 334.500 5.516 0 40 EKAB Clc1ccc(Sc2snnc2-c2ccc(Cl)cc2)cc1 3118882 MIXZCLOTBWCIPD-UHFFFAOYSA-N 339.272 5.663 0 40 EKAB COc1ccc([C@H](OC(=O)Oc2ccccc2)c2ccccc2)cc1 6411369 NTEXCCSLDBCOFH-HXUWFJFHSA-N 334.371 5.000 0 40 EKAB CCOc1ccccc1NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 6657289 SAKMZVPDHZFBKZ-UHFFFAOYSA-N 335.403 5.214 0 40 EKAB Cc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2c1 6860152 UHTHJVGXDDXOGO-UHFFFAOYSA-N 333.309 5.321 0 40 EKAB Cc1nc(-c2ccc(Br)cc2)c(-c2ccccc2)s1 6861457 QUWPFDOSQWELMX-UHFFFAOYSA-N 330.250 5.548 0 40 EKAB C[C@@H](NCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 8121630 CIIASBULAXUPMV-GFCCVEGCSA-N 347.245 5.499 0 40 EKAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(F)c1 12274728 UUEIICNBFVRGHQ-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB CCOc1ccc(NC[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 19737672 PNUPFAUTABSNGH-PKOBYXMFSA-N 341.495 5.868 0 40 EKAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2ccc(C)cc2C)c1 38753966 VVPIHPCJQFCJOC-SFHVURJKSA-N 341.520 5.031 0 40 EKAB CCc1cccc(CC)c1NC(=O)N(CC)Cc1cccc(F)c1 40098955 RELDMGCOJJHWTL-UHFFFAOYSA-N 328.431 5.005 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 40717358 AXEFBPAFDZUEBP-UHFFFAOYSA-N 329.443 5.903 0 40 EKAB Cc1cc(C)c2oc(Nc3nc4cc(Cl)ccc4s3)nc2c1 57352917 WAMQUTSAWYXYPH-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB c1ccc(CN2CCC[C@H]2c2cccnc2Sc2ccccc2)cc1 72217651 YTEMAQOZGCPNFH-NRFANRHFSA-N 346.499 5.570 0 40 EKAB CN(C(=O)c1cnc(-c2ccccc2Cl)s1)C1CCCCCC1 78718342 USWFYASLCBOWFR-UHFFFAOYSA-N 348.899 5.258 0 40 EKAB Cc1cc(NC(=O)c2ccccc2)cc2nc(-c3ccc(F)cc3)oc12 98086962 UHGSRVARTFDOOV-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 222655553 PLBJYKMNYQYDBP-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB CC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1 225331974 FUNCYJOTRBXOPE-QGZVFWFLSA-N 336.262 5.194 0 40 EKAB Cc1ccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)cc1 245311352 NVJGSGCNENBVHJ-NQIIRXRSSA-N 346.455 5.299 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 254414941 NVRAZDDCGFQUMS-MBNYWOFBSA-N 342.266 5.901 0 40 EKAB CCCOc1ccc(CNc2cccc(C)c2)cc1Br 409118046 YOXFKJSHVWJNJD-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(C)cc1 144806 PGHGJHJJZFAWQG-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1C 3608265 IPNONOHJTNBRQE-UHFFFAOYSA-N 325.795 5.063 0 40 EKAB Cc1ccc2c(CC(=O)Nc3cc(Cl)ccc3Cl)coc2c1 5559865 HLOHAUQBYJKUME-UHFFFAOYSA-N 334.202 5.229 0 40 EKAB CCCCCC1CCC(c2ccc(NC(=O)C(C)(C)C)cc2)CC1 5951066 PCNBMOVYTNUPRU-UHFFFAOYSA-N 329.528 6.525 0 40 EKAB C[C@@H](Nc1ncnc2c1oc1ccccc12)C12CC3CC(CC(C3)C1)C2 6509595 FDGLTZCRXQOKOE-ZHHULCEESA-N 347.462 5.393 0 40 EKAB C[C@@H](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 7782820 PWARKAQCVRXLMN-QWHCGFSZSA-N 336.262 5.364 0 40 EKAB Cc1ccccc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1 9199328 XKFGVVIAVGMQJX-UHFFFAOYSA-N 337.492 5.370 0 40 EKAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 14388451 NGRZIGHUFAAFOG-SECBINFHSA-N 328.626 5.138 0 40 EKAB Cc1ccc(NC(=O)c2cccnc2Nc2ccccc2Cl)cc1 22053812 VIORZPDIXMBLSN-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB CSc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 26897232 FXDJLXWTLQQPER-UHFFFAOYSA-N 342.467 5.928 0 40 EKAB CC(C)(C)[C@@H](NCc1csc(-c2ccsc2)n1)c1cccs1 64638023 OZGBCPOGKGRUHH-HNNXBMFYSA-N 348.562 5.810 0 40 EKAB Cc1cc(C)cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760788 FJMCHJTTZBWPJV-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 223145016 MUXFGSOBPLNKFR-QHCPKHFHSA-N 347.502 5.325 0 40 EKAB Cc1ccc(CNc2ccc(SC(F)(F)F)cc2)c(Cl)c1 404524262 RPKQXNAKMNSWTD-UHFFFAOYSA-N 331.790 5.872 0 40 EKAB COc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 408907796 SEPUTMMMOJVSMI-UHFFFAOYSA-N 349.455 5.240 0 40 EKAB COc1ccc(-c2nc3cccc(C)n3c2Nc2ccc(C)cc2)cc1 427576 JRAOTZUXRSLSGF-UHFFFAOYSA-N 343.430 5.370 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3ccccc3c2)cc1 505785 YXKPUIDEXTUSFT-INIZCTEOSA-N 333.431 5.371 0 40 EKAB CSc1ccccc1-c1nnc(SCc2cccc(Cl)c2)o1 1397960 BDPFXUPLTUUZGD-UHFFFAOYSA-N 348.880 5.404 0 40 EKAB c1ccc(NC2CCN(C3(c4ccccc4)CCCCC3)CC2)cc1 1688486 WUQUHXVWUUZMEL-UHFFFAOYSA-N 334.507 5.423 0 40 EKAB CCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 3659642 AUSZOKXXITUAAY-UHFFFAOYSA-N 338.451 5.075 0 40 EKAB Cc1ccc(/C=C/c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 3913242 MUNLOAXYERHMCV-MDZDMXLPSA-N 330.309 5.234 0 40 EKAB Cc1cc(C)c(NC(=O)COc2cc(C)ccc2C(C)C)c(Cl)c1 5750583 NKZOJEZSFFJYCH-UHFFFAOYSA-N 345.870 5.406 0 40 EKAB CCc1cccc2c(-c3csc(Cc4nc(C)cs4)n3)c[nH]c12 8298419 KHZQRDRFLNVLHN-UHFFFAOYSA-N 339.489 5.210 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1c(C)cc(C)cc1C 8382754 MJIVHBZQCUXXOU-UHFFFAOYSA-N 333.431 5.416 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2c(Cl)cccc2Cl)cc1 10337961 MWRUJLZOEYGCOT-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB Cc1cc(Oc2ccc(Br)cc2N)cc(C)c1Cl 14631010 XNSAZAHUOJUAKB-UHFFFAOYSA-N 326.621 5.094 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(F)cc(F)c1 28210517 IQQVSULJVDGRLD-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB CCCCCCOc1ccc(C(=O)c2cncc3ccccc23)cc1 45028908 ZHSLESLRWSRRCW-UHFFFAOYSA-N 333.431 5.425 0 40 EKAB CCOc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1 51355978 IZQFDIRHJJDQCI-UHFFFAOYSA-N 325.195 5.036 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 59351489 RFGMRFPEVWSQIL-QZTJIDSGSA-N 347.458 5.101 0 40 EKAB CC[C@H](NC(=O)c1ccccc1SC(C)C)c1ccc(OC)cc1 60641059 HWCXIMWOBIVLMJ-SFHVURJKSA-N 343.492 5.077 0 40 EKAB COc1ccccc1CN[C@@H](c1ccccc1)c1cc2ccccc2o1 71877724 PNFGEVMFEGVWLO-QHCPKHFHSA-N 343.426 5.321 0 40 EKAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccccc1 78458928 LDAUMFJXDAUSRY-PXNSSMCTSA-N 339.479 5.153 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222997929 YONWCHXSOFSARB-GOSISDBHSA-N 343.492 5.212 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc2c(c1)CCCC2 225632671 IONXZAJESKUMAF-KRWDZBQOSA-N 335.491 5.052 0 40 EKAB Cc1ccc(CN2CC=C(c3nc4cc(C(C)C)ccc4o3)CC2)cc1 226251230 BRVMIQNVOOULMO-UHFFFAOYSA-N 346.474 5.549 0 40 EKAB O=C(CSc1cccc2ccccc12)Nc1ccc(C(F)F)cc1 408542414 IRDXSSSUCOYAGV-UHFFFAOYSA-N 343.398 5.508 0 40 EKAB CCCC[C@@H](CC)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360768 MJAFJUZOTSOZID-SNVBAGLBSA-N 340.307 6.123 0 40 EKAB FC1(F)CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 1547139805 JIDPXAOOYVIWPN-HBMCJLEFSA-N 341.445 5.480 0 40 EKAB CCCCc1cc(=O)oc2cc3occ(-c4ccc(C)cc4)c3cc12 2114259 VKQLZOKCDYZCEX-UHFFFAOYSA-N 332.399 5.857 0 40 EKAB biogenic CCCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OCC 3429854 JKGYNZDZPDELPV-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)c[nH]c1=S 3434758 XYMUSFYKWBWAJT-UHFFFAOYSA-N 328.868 5.979 0 40 EKAB C/C=C/[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 4180778 SRJSURBETCWWPR-NQHHHGGPSA-N 327.427 5.323 0 40 EKAB CCCC[C@@H](CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 5591061 ATTPBKUJDOVWOL-GOSISDBHSA-N 325.452 5.421 0 40 EKAB CCOc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 6617390 ZKMPCSLXWZNQOO-UHFFFAOYSA-N 348.427 5.549 0 40 EKAB CC(C)COc1ccccc1[C@@H]1CC(=O)Nc2c1ccc1ccccc21 6820127 PDZSEKAPNDVFLJ-FQEVSTJZSA-N 345.442 5.349 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)c1cccc2cccnc12 7988363 FIXLUEBTMKWQTQ-UHFFFAOYSA-N 338.410 5.078 0 40 EKAB CC[C@H](C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8326767 ZXQQQZKOOMMFSC-ZDUSSCGKSA-N 338.278 5.461 0 40 EKAB CC(C)Oc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10336038 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0 40 EKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OC(C)C 225504645 JIKMPMNHZVELIS-UHFFFAOYSA-N 337.463 5.233 0 40 EKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225740190 DBJQSBNZFIDVBI-OAQYLSRUSA-N 347.499 5.240 0 40 EKAB CC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)cc2)c2ccc(C)cc21 169647 KVULWAXOZWYRAA-UHFFFAOYSA-N 340.854 5.882 0 40 EKAB CC(C)(C)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 1797557 ULIHRKOVVDELRO-UHFFFAOYSA-N 348.442 5.158 0 40 EKAB CC(C)(C)c1cc(NC2CCCCC2)n2ncc(-c3ccccc3)c2n1 2441743 RYHGBLYKZZAZOY-UHFFFAOYSA-N 348.494 5.438 0 40 EKAB CC(C)CCNc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1 2647095 OTZUHUXBJKZHKS-UHFFFAOYSA-N 334.488 5.839 0 40 EKAB CCCCCC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C 2779437 MGODBRAVZCCOMJ-PXNSSMCTSA-N 336.479 5.545 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2ccccc2c1 3323105 FOKIXITXZIJWJY-DLBZAZTESA-N 346.474 5.792 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 5951204 LMOZJDUCTMSWBP-UHFFFAOYSA-N 345.870 5.860 0 40 EKAB Clc1ccc2c(Oc3ccc(Br)cc3)ccnc2c1 6831783 UXJJPLKKACPOPY-UHFFFAOYSA-N 334.600 5.443 0 40 EKAB CCCCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 7261049 AXVLNWWQLWDUON-UHFFFAOYSA-N 326.267 5.923 0 40 EKAB CSc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 12589656 XLPRFNVENNJQAI-UHFFFAOYSA-N 348.471 5.126 0 40 EKAB O=C(N[C@H](c1ccccc1)c1cccs1)[C@@H]1CCCc2ccccc21 12870830 RTTRGUQMEALPPF-TZIWHRDSSA-N 347.483 5.074 0 40 EKAB Cc1cc(C)c2c(C)c(C(=O)Nc3cccc(Cl)c3Cl)oc2c1 16806279 VNQUTMPIXGSCFZ-UHFFFAOYSA-N 348.229 5.917 0 40 EKAB COc1ccc(N(Cc2ccc(Cl)cc2)C2=NCCCCC2)cc1 27526539 KOJRLJUKUNXWPR-UHFFFAOYSA-N 342.870 5.328 0 40 EKAB Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2cccnc12 31091787 ICXPLQCXBZWPJF-UHFFFAOYSA-N 331.202 5.102 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1C 59351248 JHBICFBJBOYAIG-MSOLQXFVSA-N 347.458 5.101 0 40 EKAB COCCCc1nc(-c2c(-c3ccccc3)[nH]c3ccccc23)cs1 63630227 ZGZNVOUJKHBJBC-UHFFFAOYSA-N 348.471 5.537 0 40 EKAB O=C(CCc1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl 85652010 CPCJTAKXNQLLGI-UHFFFAOYSA-N 347.163 5.828 0 40 EKAB CC[C@]1(C(=O)OC)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927313 GYAMUDPQHVRNEM-DVWPCDKSSA-N 346.555 5.989 0 40 EKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(C)c(C)c1 218963029 KDMXSOKESSSGSN-NRFANRHFSA-N 339.479 5.073 0 40 EKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C 223390080 IXKZKYDKLVBAFP-LBPRGKRZSA-N 327.921 5.152 0 40 EKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225736075 WXVDLTPYGDJJNU-OAQYLSRUSA-N 349.515 5.200 0 40 EKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Cl 225801183 BFVIMDWQXVUKTE-LJQANCHMSA-N 343.854 5.015 0 40 EKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC[C@H](C)C1 260816750 PQBLOMQJYJVMDX-XGHQBKJUSA-N 347.499 5.178 0 40 EKAB c1cncc(-c2nc(Oc3cccc4ccccc34)c3ccccc3n2)c1 102363 GULNAPFURHGMCC-UHFFFAOYSA-N 349.393 5.637 0 40 EKAB Cc1cc(C)c(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)c1 121175 VRFAXRRBSPQXMJ-UHFFFAOYSA-N 342.653 5.824 0 40 EKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccccc1 238370 XKYDTTGNCFMGSZ-UHFFFAOYSA-N 338.410 5.463 0 40 EKAB Cc1ccc(-c2nnc(C)c(Oc3ccc(Cl)cc3Cl)n2)cc1 1403174 CQHDBFPFMBRJQK-UHFFFAOYSA-N 346.217 5.255 0 40 EKAB OCc1c(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)c2n1CCC2 1584271 SEOVTWWJCFNXCN-UHFFFAOYSA-N 341.813 5.053 0 40 EKAB O=C(CN(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1 1671905 MPKZLICLLIFSDF-UHFFFAOYSA-N 349.861 5.225 0 40 EKAB c1ccc(C(CCNc2ncnc3sccc23)c2ccccc2)cc1 2636716 AGTQZMTYAUCZME-UHFFFAOYSA-N 345.471 5.325 0 40 EKAB CCCCN(CCCC)C[C@@H](O)c1ccc(Cl)c2ccccc12 5973435 ZDTIUXNNBFKOPX-HXUWFJFHSA-N 333.903 5.429 0 40 EKAB O=C(/C=C/c1ccco1)N(c1ccccc1)c1nc2ccccc2s1 7271100 ZYMAVOUQLPMUGY-OUKQBFOZSA-N 346.411 5.267 0 40 EKAB Cc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 10110377 ALJUTOHNZQUIGU-PKNBQFBNSA-N 348.273 5.064 0 40 EKAB CC(=O)CC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 12416770 OMUMQXPIWUEEEG-JJFXEYKMSA-N 330.556 6.881 0 40 EKAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc2ccccc12 14602060 UKMQJULNTIDFFW-CYBMUJFWSA-N 343.348 5.350 0 40 EKAB Cc1ccc(NC(=O)CC2CCCC2)cc1NC(=O)CC1CCCC1 17154585 RQCJKMNHKCKNCE-UHFFFAOYSA-N 342.483 5.033 0 40 EKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)CN=[N+]=[N-] 35074936 NUOUFIXLUAPRPT-GCNBINEPSA-N 331.504 5.461 0 40 EKAB S=c1[nH]c2ccc(Br)cc2cc1Cc1ccccc1 90550000 ZDVMNJDSDKHZAD-UHFFFAOYSA-N 330.250 5.251 0 40 EKAB CCC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 118915181 WYXLHJNYQBRALN-FQJIPJFPSA-N 344.539 5.907 0 40 EKAB CCCO[C@](C)(C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1)C1CC1 225674285 VLUYGPSRFKMIKJ-KKSFZXQISA-N 347.499 5.015 0 40 EKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccccc1 409115075 IHHYFZZHAZORQN-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc(CSc2nc(C)nc3sc4c(c23)CCC4)cc1 351095 XCKAWOQIIZYPNC-UHFFFAOYSA-N 326.490 5.089 0 40 EKAB CCCCOC(=O)c1ccc(OCc2cccc3ccccc23)cc1 3339993 VWTGHKAOBKSMIJ-UHFFFAOYSA-N 334.415 5.376 0 40 EKAB O=C1CCCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 4413840 BMEMCWCNDLIZKD-GOSISDBHSA-N 349.455 5.612 0 40 EKAB CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C 5033314 NYTATNOWDABXGO-UHFFFAOYSA-N 339.822 5.723 0 40 EKAB c1csc(-c2nc(CSc3nc4ccccc4s3)co2)c1 5034763 IRMXGITUCFDDGS-UHFFFAOYSA-N 330.459 5.305 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)cc1 5903645 HEQSEVOCYBOILQ-FMIVXFBMSA-N 348.273 5.943 0 40 EKAB CC(C)CC[C@@H](C)Nc1ncnc2sc(-c3ccccc3)cc12 5937713 KOVJVRFWWRGFJS-CQSZACIVSA-N 325.481 5.595 0 40 EKAB CC(C)(C)CC(=O)Nc1cccc(OCCCc2ccccc2)c1 12137872 HLNAUOCDZZDSBX-UHFFFAOYSA-N 325.452 5.073 0 40 EKAB CSc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 12311408 CRGKVDGJASZMOX-FQEVSTJZSA-N 343.455 5.398 0 40 EKAB CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 14245998 FPUYTGBNJQXZMQ-GOSISDBHSA-N 344.842 5.108 0 40 EKAB Cc1cc(N)cc2nc(-c3cc(C(F)(F)F)ccc3Cl)oc12 20352354 BPIWIJXCYTVLHD-UHFFFAOYSA-N 326.705 5.058 0 40 EKAB C[C@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1 28352053 UHHQZGDDYBDHMD-HOTGVXAUSA-N 343.430 5.302 0 40 EKAB COc1cc(/C=C/c2ccc3cc(C)ccc3n2)ccc1OCC(C)C 32639084 JDVZBRORJRZRKB-RMKNXTFCSA-N 347.458 5.757 0 40 EKAB CC(C)c1nnc(S[C@@H](C)c2ccc(F)cc2)n1Cc1ccco1 58004454 YKSJUEJSFZGDDR-ZDUSSCGKSA-N 345.443 5.035 0 40 EKAB Fc1ccc(Cl)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 71761873 XDWPHSSAQUNWDI-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc(O)c3)C2=C(O)C1 102536986 MPQFOFHLXZLMBE-HXUWFJFHSA-N 334.419 5.264 0 40 EKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C/C(=C/c3ccccc3)C[C@@H]12 118926926 PSUFVZFXGOVTOA-PRCJFGLTSA-N 348.574 7.503 0 40 EKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(F)c(Cl)c1 225370246 NFUIQDURIWDUDZ-UHFFFAOYSA-N 346.616 5.357 0 40 EKAB COc1cccc(NC(=O)Nc2ccccc2Oc2ccccc2)c1 225762141 ATXPGEZJIFIAMS-UHFFFAOYSA-N 334.375 5.132 0 40 EKAB CCc1ccc(NCc2cccc(OCc3ccc(C)cc3)c2)cc1 409110184 TYKOEWVSPJHLKF-UHFFFAOYSA-N 331.459 5.749 0 40 EKAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 315157 GXKCWOWAHZTVLE-FQEVSTJZSA-N 348.833 5.420 0 40 EKAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 512874 HLMZQPDNUJJBGI-UHFFFAOYSA-N 342.870 5.199 0 40 EKAB Cc1cccc(Nc2ccccc2C(=O)NCc2cccs2)c1C 3411877 BRJJLZORVIUFPF-UHFFFAOYSA-N 336.460 5.039 0 40 EKAB CCCCC[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@H]1O 4011380 YIBLLNKVEAJJCJ-WBADGQHESA-N 337.507 5.362 0 40 EKAB Cc1cc(C)c(O)c(C(c2ccccc2)c2cc(C)cc(C)c2O)c1 5430552 PSMWHAYJHHEURK-UHFFFAOYSA-N 332.443 5.512 0 40 EKAB Oc1c(-c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1 8345957 WJPYXNYQGKZQTO-UHFFFAOYSA-N 331.802 5.928 0 40 EKAB C1=C[C@H]2[C@H]1C1(Cc3ccccc3)N=NC2(Cc2ccccc2)[C@@H]2C=C[C@@H]21 17003889 OVPRGOYKNGAKIF-KWQKOSMLSA-N 338.454 5.033 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)c(C)c1 20458237 AUAKQTZXGVEBBW-OAHLLOKOSA-N 347.911 5.067 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)c(C)c1 30854240 DVJRZMLNRDEDKU-OAHLLOKOSA-N 347.911 5.316 0 40 EKAB CCOC(=O)c1c(Cc2ccccc2Cl)c[nH]c1-c1ccccc1 40483777 CSDALTFOKTXXCD-UHFFFAOYSA-N 339.822 5.103 0 40 EKAB Cc1ccc(-c2csc(NC(=O)c3sccc3C3CC3)n2)cc1 60476768 LDNDENRTFGPJOV-UHFFFAOYSA-N 340.473 5.310 0 40 EKAB Clc1cc(Cl)cc(OCc2cccc(Br)c2)c1 70136174 SDSMKRJSOBEKBQ-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1 95093246 MIVKNYUGPASSPY-UHFFFAOYSA-N 349.231 5.431 0 40 EKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccccc2)cc1 106982839 JOCSZYCIFVNANW-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1cccc2ccccc12 222871670 RPOZDKNYUWDWDE-KRWDZBQOSA-N 347.458 5.047 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225746319 BRUBCHANNDUBIX-UWJYYQICSA-N 349.515 5.486 0 40 EKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Cl 155354 ZBOQNMFBFFTXDX-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(-c2ccccc2)n1 1401179 ZHCOTMNYGOBBPG-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB aggregator CC[C@H](C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccccc1 1735864 IVJKDEPTEGVUDH-JPYJTQIMSA-N 343.470 5.725 0 40 EKAB CC(C)CC[C@@H](CCNCc1cccs1)c1ccc2c(c1)OCO2 2208390 IIJOWOYOXBSRCU-INIZCTEOSA-N 345.508 5.177 0 40 EKAB CC(C)CC[C@@]1(CCN[C@H](C)c2cccs2)CCOC(C)(C)C1 2450229 NUYURMBOCIDFQI-YLJYHZDGSA-N 337.573 5.800 0 40 EKAB Cc1ccc2nc(-c3ccc(Br)cc3)nc(Cl)c2c1 2527440 NOBRZGSZPQCQEU-UHFFFAOYSA-N 333.616 5.021 0 40 EKAB Cc1cc(C)c(NC(=O)C2[C@H]3CC/C=C\CC/C=C/CC[C@H]23)c(C)c1 3060864 FWYWHXFRKQRPHK-LFSUJRJPSA-N 337.507 5.879 0 40 EKAB CCOc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3s2)cc1 3503971 RZKUWORILOCWRV-LBPRGKRZSA-N 343.473 5.059 0 40 EKAB CCCCCn1c(NCc2ccc(Cl)cc2)nc2ccccc21 3643104 IFWIKUSYKKLZNT-UHFFFAOYSA-N 327.859 5.492 0 40 EKAB COc1ccc(NCc2csc(-c3ccccc3)n2)cc1Cl 4979999 BEPUGLALKVPJRC-UHFFFAOYSA-N 330.840 5.084 0 40 EKAB O=C1S/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1c1ccccc1 5902904 SRXJGYXYFDEBOO-QGOAFFKASA-N 347.395 5.188 0 40 EKAB CCCCc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 6323651 VAQYPAAGWYAGSR-UHFFFAOYSA-N 347.911 5.555 0 40 EKAB CC(C)c1ccc(CCNC(=O)c2cccc(Cl)c2Cl)cc1 6847724 XUFHMECLLVAKIB-UHFFFAOYSA-N 336.262 5.089 0 40 EKAB C[C@H](NCc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 8497308 DYWURWLOFXNSSZ-BGUCANKRSA-N 338.322 5.688 0 40 EKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc2ccccc12 8762348 DSCMQNFAQRLLDR-UHFFFAOYSA-N 342.398 5.066 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1 10336015 UEWZNPNVFYPKIB-UHFFFAOYSA-N 335.369 5.400 0 40 EKAB Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C(F)(F)F 14630401 FQAQFIVOOGVIOR-UHFFFAOYSA-N 329.321 5.747 0 40 EKAB CC[C@@H](C)Oc1ccc(NC[C@@H](C)Oc2cc(C)ccc2C)cc1 19737525 QXSFDLSXXFLQRL-QZTJIDSGSA-N 327.468 5.360 0 40 EKAB CCCCCC(=O)Nc1ccc2oc(-c3cccc(OC)c3)nc2c1 21579179 BZNQNQKEWUMJSU-UHFFFAOYSA-N 338.407 5.022 0 40 EKAB Cc1cccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)c1 33027678 SXPOPUFAAOQOOD-UHFFFAOYSA-N 333.431 5.443 0 40 EKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1ccc(Cl)c(Cl)c1 35193745 SVARYGKGRMWTLF-NORZTCDRSA-N 344.282 6.003 0 40 EKAB c1ccc2c(c1)Cc1cc([C@@H]3NCc4ccccc4-n4cccc43)ccc1-2 55095248 XKELCQNIGDHOON-VWLOTQADSA-N 348.449 5.241 0 40 EKAB O=C(Nc1cccc(Cl)c1SC(F)F)c1ccc(F)c(F)c1 58357068 JEPBEMOEIBNALS-UHFFFAOYSA-N 349.736 5.185 0 40 EKAB CC(C)Cc1nnc([C@@H](C)Sc2ccc(Cl)c(Cl)c2)o1 95403418 YULHOVSTUZGHGT-SECBINFHSA-N 331.268 5.428 0 40 EKAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc(Cl)s1 390826185 DZRMMHMWCRGMNM-CYBMUJFWSA-N 339.894 5.044 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(C)c1C 408588950 XJTJANXASSVUOH-UHFFFAOYSA-N 331.843 5.388 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3ccc(C)cn23)cc1 427553 MTJOJGIOCOOCIP-UHFFFAOYSA-N 327.431 5.670 0 40 EKAB Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1Cl 1462190 WPMXTDTXEFPBEU-QPJJXVBHSA-N 340.637 5.607 0 40 EKAB CC1(C)c2ccccc2N2CCC(O)=N[C@@]21/C=C/C=C/c1ccccc1 2124031 NPPOXVLGJKJUGA-SBXFALTOSA-N 344.458 5.110 0 40 EKAB biogenic Cc1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1 3022497 AFEVYARUZRGHLT-ZZEZOPTASA-N 338.501 5.678 0 40 EKAB Cc1sc2ncnc(NC(c3ccccc3)c3ccccc3)c2c1C 3313682 ZPMJBVSWXZQUOB-UHFFFAOYSA-N 345.471 5.510 0 40 EKAB CC[C@H](C(=O)Nc1cccc2ccccc12)C1CCC(OC)CC1 3845066 HQUCKMNLLNSLEM-ABHNRTSZSA-N 325.452 5.010 0 40 EKAB biogenic Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1Cl 5516950 MOCFSQUCOQSFAF-KRWDZBQOSA-N 336.262 5.680 0 40 EKAB COc1ccc2oc(C(=O)Nc3ccc(C4CCCCC4)cc3)cc2c1 8166218 PKBOQIABXWEGOU-UHFFFAOYSA-N 349.430 5.741 0 40 EKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1F 23742209 GIYUFCSDKSLSSK-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB C[C@H]1c2ccsc2CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 30549406 YFQPRAGJDRKPQV-HNNXBMFYSA-N 341.520 5.124 0 40 EKAB C[C@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccccc1F 40067836 BQFJOPHDNQRNFF-UONOGXRCSA-N 340.398 5.036 0 40 EKAB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1C(F)(F)F 97102339 GWAMIGWSIXSBOA-UHFFFAOYSA-N 335.369 5.146 0 40 EKAB Cn1/c(=N\c2ccc(Oc3ccccc3)cc2)ccc2ccccc21 100265570 OKMTVOGWOKTADA-FCQUAONHSA-N 326.399 5.203 0 40 EKAB N=C(S)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 107898818 HOPJYLKOMWOWSH-KQXORWHBSA-N 347.487 5.148 0 40 EKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccccc1 115278739 XUHRMEWIRLJODR-UHFFFAOYSA-N 347.439 5.551 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 223390601 MPPISEKHCDFDMY-KBPBESRZSA-N 327.921 5.153 0 40 EKAB C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(C(C)(C)C)cc1 225628868 APOKZHWHORMQBN-MRXNPFEDSA-N 335.491 5.354 0 40 EKAB CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225717494 JOKFQDMHTZUNEH-QLVMHMETSA-N 347.499 5.096 0 40 EKAB C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1 257354731 ZLUCRZKCMZNNKG-GARHLSDISA-N 340.429 6.685 0 40 EKAB CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C/C/C=C\CCCC(=O)OC 299888518 MQCWCUDQEBWUAM-GHHWLCSISA-N 334.500 5.516 0 40 EKAB CCc1ccc(NCc2ccccc2OCc2ccc(C)cc2)cc1 409115867 HXTCNYMLFUUTBL-UHFFFAOYSA-N 331.459 5.749 0 40 EKAB FC(F)(F)c1ccccc1-c1nnc(-c2sccc2Cl)o1 155699 OSMAFGZNXPQDEL-UHFFFAOYSA-N 330.718 5.137 0 40 EKAB Cc1cccc(C)c1Nc1c(-c2ccc(Cl)cc2)nc2cnccn12 200584 SZIBXUXARFPUSX-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB CC1(C)C=Cc2c(nc3ccccc3c2NCc2ccc(Cl)cc2)C1 348174 FYTZZCIDOUFARA-UHFFFAOYSA-N 348.877 6.096 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Oc2cc(C)ccc2C(C)C)c1 363421 BUTMKOUKJOHXQX-UHFFFAOYSA-N 340.463 5.535 0 40 EKAB CCc1cccc(C)c1NC(=O)COc1ccc([C@H](C)CC)cc1 588390 GXWJOJZSXFDTBU-OAHLLOKOSA-N 325.452 5.088 0 40 EKAB Cc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)c(C)c1 3290073 DYOJISJWVZEOEB-UHFFFAOYSA-N 337.426 5.562 0 40 EKAB COc1ccc([C@H]2C(C)=C(c3ccc(C)cc3)Oc3ccccc32)cc1 3905482 ALLHFMRYIWVNMM-HSZRJFAPSA-N 342.438 5.959 0 40 EKAB C/C(=N/O)C1=CC[C@@H]2[C@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@]12C 4041115 QPVTWJVYONZWBL-VOSHQTSTSA-N 344.499 5.246 0 40 EKAB biogenic CSc1cccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)c1 5222689 DBQMIWGPRXLBMP-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB CCCCOC(=O)c1cccc(C(=O)OC[C@H](CC)CCCC)c1 5553716 IEPSFYBDYXIRGR-MRXNPFEDSA-N 334.456 5.017 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1c(C)cccc1CC 8382797 QZFPHZZAQUELAA-UHFFFAOYSA-N 333.431 5.362 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)c1 8729264 NXNYPYWWCHEVKY-HXUWFJFHSA-N 348.471 5.171 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c(Cl)c1 9064447 SMYXKTBYZPHSRW-HNNXBMFYSA-N 342.870 5.280 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccccc1Cl 13709939 ZAHWDQMHOIQUJX-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB CCc1ccccc1NC(=S)Nc1c(C(C)C)cccc1C(C)C 13841061 NWXRUDSPPKASEC-UHFFFAOYSA-N 340.536 6.305 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=S)NCc1ccccc1 17066875 DWHOAYJEZAPYMO-UHFFFAOYSA-N 326.509 5.420 0 40 EKAB N#C/C(=C\c1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 28580451 OZWKUAURJRZOPX-DHZHZOJOSA-N 325.692 5.562 0 40 EKAB Cc1nc(NC(=O)c2ccc(F)cc2Cl)sc1-c1ccccc1 29921816 RFKVPZOUNTYJDT-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB Cc1ccc(COc2ccc(CNc3ccccc3Cl)cc2)cc1 33612322 KOWAJQMPXUXFQU-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 57316207 DFBLARGAKYJPIM-UHFFFAOYSA-N 339.479 5.343 0 40 EKAB c1ccc([C@H](Nc2cccc(N3CCCCC3)c2)c2ccccn2)cc1 97048905 GIGZJZWQAPUWAF-QHCPKHFHSA-N 343.474 5.273 0 40 EKAB Cc1ccc([C@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 223116760 CXHUBJRPBOPLNK-JOCHJYFZSA-N 329.443 5.131 0 40 EKAB CCCCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 408549020 VSWJRWSZSATRIS-UHFFFAOYSA-N 327.493 5.207 0 40 EKAB CC[C@@H](O)C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 2060189 CXCHMIKXNMISKN-IRLDBZIGSA-N 342.438 5.393 0 40 EKAB O=C(CSc1ccccc1)Nc1ccccc1Oc1ccccc1 4496666 ZFDQDXNZWZWOAW-UHFFFAOYSA-N 335.428 5.210 0 40 EKAB Cc1ccc(C)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 6189864 FKCJIKXXOADBAX-LTGZKZEYSA-N 327.427 5.483 0 40 EKAB Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2C)cc1 6215024 HSPWMHYPUUUWJK-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB COc1ccc(Sc2ncnc3oc(-c4ccccc4)cc23)cc1 6646686 AZHNNDZNKHMRST-UHFFFAOYSA-N 334.400 5.050 0 40 EKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 8478584 YXKABMOQWDULKN-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB C[C@H](CCCCCCCCCCCCc1ccccc1)CC(=O)O 16124381 GETJXADZUDOMNR-HXUWFJFHSA-N 332.528 6.631 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 20460425 BULRYWSCAYPZKS-GOSISDBHSA-N 345.895 5.190 0 40 EKAB COc1ccc(Cc2nc(-c3cc(C)sc3C)cs2)cc1OC 23624957 OIOGPMBJFWFPEX-UHFFFAOYSA-N 345.489 5.096 0 40 EKAB Cc1ccc2nc(NC(=O)c3occc3-c3ccccc3)sc2c1 28690698 OLRCNCUAPVMWLT-UHFFFAOYSA-N 334.400 5.117 0 40 EKAB Cc1cc(C)c2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1 57352946 FVMKPVNYVAOSCN-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 59351428 OJTITRFMEVEOLP-KGXGESDWSA-N 348.273 5.501 0 40 EKAB O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl 197340041 CZKFIEHJHQJONL-IBGZPJMESA-N 329.226 5.742 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Cl)cc1C 222949385 ODYHLYOGRNJQIY-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB CC[C@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225614678 FTPXTJYBHCSSOX-KRWDZBQOSA-N 349.515 5.280 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2c(F)cccc2F)C(C)C)c(C)c1 225765073 IPAFMBUHHQLCPW-KRWDZBQOSA-N 348.462 5.265 0 40 EKAB CCc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 225844563 YPLKHIAELAQTSO-XMMPIXPASA-N 343.470 5.006 0 40 EKAB Cc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccco2)cc1 413726 CPSQLGSFTGUBMF-UHFFFAOYSA-N 337.810 5.168 0 40 EKAB C[C@H](SCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 562686 PDVWHOGYTOHXIM-NSHDSACASA-N 340.275 5.254 0 40 EKAB CC(C)Nc1nc(Sc2ccc(Cl)cc2)cc(C(F)(F)F)n1 1396749 NYPMDKOKGYLLPQ-UHFFFAOYSA-N 347.793 5.120 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1Cl 1776083 YHNOMZWEQDTZBP-FPYGCLRLSA-N 327.594 5.266 0 40 EKAB CC1(C)C2=C[C@@]3(C)N(CCN2c2ccccc21)c1ccccc1C3(C)C 2066654 KCBMVJWAMLGUDQ-XMMPIXPASA-N 344.502 5.238 0 40 EKAB O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1Cl 2517874 KVHCULWRITVPTO-UHFFFAOYSA-N 333.136 5.226 0 40 EKAB O=C(CSCc1c[nH]c2ccccc12)Nc1ccc2ccccc2c1 3165780 KDCNJPNCSJYLLD-UHFFFAOYSA-N 346.455 5.193 0 40 EKAB O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 3265558 BFSVIMGTONNUEK-UHFFFAOYSA-N 348.421 5.169 0 40 EKAB FC(F)(F)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)c1 5943687 XMWIENGTHKPVSE-UHFFFAOYSA-N 345.792 5.349 0 40 EKAB CN(c1ncnc2cc(-c3ccc(F)cc3)sc12)C1CCCCC1 8071666 UEXIVNYOIKHDHZ-UHFFFAOYSA-N 341.455 5.266 0 40 EKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2ccccc2c1 8429501 JCWLQVIRDVULBC-UHFFFAOYSA-N 345.398 5.134 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1-c1ccccc1 8496261 SXWTVGKUHLXTTC-JOCHJYFZSA-N 345.442 5.458 0 40 EKAB COc1cccc2cc(C(=O)Nc3cccc(Cl)c3Cl)oc12 8960617 XCFANQWLPOURNX-UHFFFAOYSA-N 336.174 5.001 0 40 EKAB CCc1cccc(CC)c1NC(=O)CCc1ccc(C(C)(C)C)cc1 10338796 INGNAHJQXHBTDN-UHFFFAOYSA-N 337.507 5.680 0 40 EKAB C[C@H]1CCCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)C1 10541062 LJKCEQOQTJENJI-TWQQJCIXSA-N 339.866 5.139 0 40 EKAB CCCCCc1ccc(-c2cn3nc(CCCCC)sc3n2)cc1 12363958 OYDHYGJNEXYUFG-UHFFFAOYSA-N 341.524 5.923 0 40 EKAB CC(=O)c1cccc(NC(=O)C2[C@H]3CC/C=C\CC/C=C/CC[C@H]23)c1 33679764 BJQOSONJQCUKEY-SSLUEOPPSA-N 337.463 5.157 0 40 EKAB CC[C@@H](C)c1ccccc1Oc1nc2ccccc2nc1N1CCCC1 45900730 IGDDLFPLIIMKOJ-MRXNPFEDSA-N 347.462 5.536 0 40 EKAB Fc1ccc(Br)c(CSc2ccc(Cl)c(F)c2)c1 95733461 KGQUXTWJGXXMJD-UHFFFAOYSA-N 349.627 5.673 0 40 EKAB ClC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12 104339745 SADZCJZAODOWTP-UHFFFAOYSA-N 328.842 6.371 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224439307 BFXAFFCGVFSOQX-OAQYLSRUSA-N 345.442 5.043 0 40 EKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225690778 JUHVJCUEUHDOSY-NRFANRHFSA-N 349.515 5.118 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225759737 CMIRBZOFULSJCT-LJQANCHMSA-N 326.509 5.296 0 40 EKAB CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)ccc23)O1 1634347 DWMBXHWBPZZCTN-HSZRJFAPSA-N 347.458 6.246 0 40 EKAB endogenous,in-man Cc1ccccc1Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3140133 WIVFXBZACXEHCG-UHFFFAOYSA-N 338.414 5.258 0 40 EKAB CC[C@]1(C)C[C@](CCNCc2ccc(F)cc2)(CCC(C)C)CCO1 5296943 IJWAMTILPWMMFI-YADHBBJMSA-N 349.534 5.707 0 40 EKAB CSc1ccccc1C(=O)N(C)C(c1ccccc1)c1ccccc1 5938056 VWQDTJFLHLZZFG-UHFFFAOYSA-N 347.483 5.270 0 40 EKAB Clc1ccc(OCc2nc3ccc(Cl)cc3[nH]2)c(Cl)c1 7987364 INBOQZVHGRECOI-UHFFFAOYSA-N 327.598 5.102 0 40 EKAB Clc1ccc2nc(Nc3cccnc3)nc(-c3ccccc3)c2c1 8436355 MJJNNPAXSZSFFW-UHFFFAOYSA-N 332.794 5.089 0 40 EKAB CCCCOc1ccc(CNc2ccc(O[C@H](C)CC)cc2)cc1 19737534 SPLACWBQIXKYIN-QGZVFWFLSA-N 327.468 5.655 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(C)C 20459517 VQOGTHWOPKBLIB-FQEVSTJZSA-N 325.452 5.223 0 40 EKAB CC(C)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 23411022 MMAUZQNZYCRRRE-UHFFFAOYSA-N 333.884 5.335 0 40 EKAB CC[C@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)CCCC2 223110624 SCNPCRWOLGKJGA-IBGZPJMESA-N 333.431 5.193 0 40 EKAB CC(C)c1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225046915 OXJQELSKOWQTQE-KRWDZBQOSA-N 334.868 5.251 0 40 EKAB CCCOc1c(Cl)cc(Cl)cc1CNc1ccccc1CC 409118747 NWLAIJGYHZUJME-UHFFFAOYSA-N 338.278 5.957 0 40 EKAB c1ccc2cc3[nH]c(SCc4cccc5ccccc45)nc3cc2c1 409393190 VJGGJOGWLDFICB-UHFFFAOYSA-N 340.451 6.162 0 40 EKAB CC[C@H](C(=O)N[C@@H](c1ccsc1)c1cccs1)c1ccccc1 822551402 IMUPUZWSIGHLCS-WMZOPIPTSA-N 341.501 5.209 0 40 EKAB Cc1cc(Nc2ccc(C)c(Cl)c2)nc(NCc2ccccc2)n1 73458 XFMSITUPECQXRW-UHFFFAOYSA-N 338.842 5.103 0 40 EKAB Clc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2c1 1387050 FXTYOMGQGHMLFG-UHFFFAOYSA-N 347.805 5.819 0 40 EKAB CC(C)=Cc1ccccc1C1(C)C(c2ccccc2)=C1c1ccccc1 1581462 JGEJEFFXMMAAOU-UHFFFAOYSA-N 336.478 6.992 0 40 EKAB CNCC[C@@H](Sc1ccc(C(F)(F)F)cc1)c1ccccc1 2187398 FNDOIOWNVFFQBG-MRXNPFEDSA-N 325.399 5.148 0 40 EKAB CC(C)Oc1ccc(CNCC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1 2200732 YFODDWIUJODQNJ-JOCHJYFZSA-N 347.543 5.185 0 40 EKAB Cc1onc(-c2ccccc2)c1C(=O)Oc1cc(Cl)ccc1Cl 3554841 FNKFVLPKNFRHPP-UHFFFAOYSA-N 348.185 5.176 0 40 EKAB CCCCN1C(=O)c2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 4550475 GLIAQFCWWBOYQJ-KRWDZBQOSA-N 348.368 5.072 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N1[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@H]21 5895561 YSCXRXOBOHVHEX-FZDBZEDMSA-N 332.875 5.305 0 40 EKAB CC(C)c1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 5944974 JAQDTJQRTIFNDW-UHFFFAOYSA-N 336.262 5.802 0 40 EKAB Clc1ccc2oc(SCC34CC5CC(CC(C5)C3)C4)nc2c1 6047951 CPUXRMFRROTQBH-UHFFFAOYSA-N 333.884 5.790 0 40 EKAB CC(C)(C)NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 6882553 PZPIEHMVTGZSGR-UHFFFAOYSA-N 338.278 5.461 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1c(Cl)cccc1Cl 8492784 WCXZFJSDKTZNAF-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4C)cc3)nc2c1 8833474 FOOWPODPHDNLGP-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1ccc(C(=O)[C@H](C)Sc2ncc(-c3ccc(F)cc3)o2)cc1 14709747 CTWCDTIMRNSRAL-ZDUSSCGKSA-N 341.407 5.153 0 40 EKAB Cc1c(-c2cnc3cc(Cl)c(Cl)cc3n2)sc2ccccc12 16266674 KEIUNHVFMSVBCD-UHFFFAOYSA-N 345.254 6.127 0 40 EKAB Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(F)cc2)sc1C 19559870 GBJVDESBZLVFKX-QGZVFWFLSA-N 346.496 5.034 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(C)=O)c1 20459863 WFBLIBXAVWJOLK-QGZVFWFLSA-N 347.867 5.052 0 40 EKAB O=C(O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 45919923 BHPUFJGXJAMZRO-UHFFFAOYSA-N 342.565 5.153 0 40 EKAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2Cl)cc1C(C)C 223262821 QFSMPVHBYZCRCL-AWEZNQCLSA-N 345.870 5.271 0 40 EKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1C(C)C 223262953 PRSLDUWVMBTURM-AWEZNQCLSA-N 345.870 5.271 0 40 EKAB Cc1cc(C)c(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 225646974 GKILNXJHCPXYSB-HSZRJFAPSA-N 343.470 5.440 0 40 EKAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1C 225739945 SGBSZENEKWHPFE-FQEVSTJZSA-N 335.488 5.098 0 40 EKAB C/C=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238311 FGSFYZNXYHDZKI-CZVHPYFWSA-N 344.539 5.907 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1F)c1ccccn1 564707 WZKMCQLSKOKFCM-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB COc1ccc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)cc1 1463268 OHIGJQSSZJTBFS-QFIPXVFZSA-N 343.430 5.081 0 40 EKAB CC(C)(C)N1C=C(c2ccccc2)N=C[C@]1(c1ccccc1)C(C)(C)C 1731068 VKVLQRFVULZHGI-DEOSSOPVSA-N 346.518 6.112 0 40 EKAB O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1cccc(Cl)c1 2581736 WTBGPHMPZFMGIZ-UHFFFAOYSA-N 348.785 5.486 0 40 EKAB biogenic,in-vitro Cc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3ncccn23)cc1C 4734255 SGCBVWQJLLFVCR-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB Cc1ccc(CNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 7539345 CZMUISZDIQFSBS-UHFFFAOYSA-N 346.257 5.852 0 40 EKAB Cc1ccc(OCCCn2c(-c3cccs3)nc3ccccc32)cc1 12461748 PLTJJUVZESGSDJ-UHFFFAOYSA-N 348.471 5.542 0 40 EKAB Cc1ccnc(N[C@H](c2ccc(F)cc2)c2c(C)[nH]c3ccccc23)c1 13062706 WNAUFUOFLFCSLH-JOCHJYFZSA-N 345.421 5.520 0 40 EKAB O[C@@H](Cn1c(-c2ccccc2Cl)nc2ccccc21)c1ccccc1 14287895 HNIVSRAOTSTWRB-FQEVSTJZSA-N 348.833 5.090 0 40 EKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2cc(Cl)ccc2o1 19197967 ZMFUPLMKWJVNMF-UHFFFAOYSA-N 340.593 5.645 0 40 EKAB c1ccc(COc2ccc(CNC3C4CC5CC(C4)CC3C5)cc2)cc1 22073769 JEOWMYMMPMVNLK-UHFFFAOYSA-N 347.502 5.180 0 40 EKAB CC(C)(C)c1cc(NC(=O)c2sc3ccccc3c2Cl)on1 32971662 XHQSYRLTJPIBGO-UHFFFAOYSA-N 334.828 5.093 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)cc1C 38771300 YJBBWJANPQKAJX-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1C 59241412 UCOWHNSUOFYFCU-UHFFFAOYSA-N 333.456 5.707 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)oc1ccccc12 59475214 JHVUQDAWKMHABJ-FMIVXFBMSA-N 347.801 5.891 0 40 EKAB C(=C\c1ccc(-c2ccccc2)cc1)\c1ccc(-c2ccccc2)cc1 66377907 HXWQJYVUJPBQEW-QXMHVHEDSA-N 332.446 7.191 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(C)c1 80344938 JTKIRUUHGJTEJK-JKSUJKDBSA-N 334.246 5.352 0 40 EKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2cccs2)S1 85412368 URAMTRDIAJQROR-HNNXBMFYSA-N 347.509 5.019 0 40 EKAB C[C@H](Nc1nc(-c2cccs2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102325365 HHFISKWXWWZFLZ-QBYUYEEZSA-N 349.503 5.595 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)c1 225537934 ORPBMCMAVPLFPO-MRXNPFEDSA-N 342.508 5.138 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Cl)cc2)C(C)C)c(C)c1 225763413 OBXJZIBKPAJOSD-SFHVURJKSA-N 346.927 5.641 0 40 EKAB C[C@H]1CCc2c(sc3ncnc(SCc4ccc(F)cc4)c23)C1 84859 KEGKOLOGTBRICK-NSHDSACASA-N 344.480 5.248 0 40 EKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(O)c(C(C)(C)C)c2)cc1 2061873 HPOICAYILYTUOT-UHFFFAOYSA-N 326.436 5.206 0 40 EKAB C(=C/Sc1ccc2ccccc2n1)\Sc1ccc2ccccc2n1 2271722 PGNWQUHOHKBGHG-BUHFOSPRSA-N 346.480 6.139 0 40 EKAB Oc1cccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 4335317 GKTGKXMSLUYOSQ-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB Clc1c(-c2nnc(Nc3ccccc3)s2)sc2ccccc12 4372124 GYQJFEQRQCASHM-UHFFFAOYSA-N 343.864 5.817 0 40 EKAB CCc1cccc(C)c1NC(=O)CCCOc1ccc(Cl)cc1 5658508 NPRJZCVEIJHPPM-UHFFFAOYSA-N 331.843 5.009 0 40 EKAB CCc1c(C(=O)C23CC4CC(CC(C4)C2)C3)oc2ccc(F)cc12 6640359 XLKFTYYIZZVKMN-UHFFFAOYSA-N 326.411 5.533 0 40 EKAB Sc1nc(SCc2cccc3ccccc23)nc2ccccc12 6848295 PISGYYVSCAEUMF-UHFFFAOYSA-N 334.469 5.364 0 40 EKAB Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504076 GQLXYZNVALHFGK-FQEVSTJZSA-N 341.414 5.247 0 40 EKAB COc1ccc(Cl)cc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 7524065 JHOZVVORNBQQOH-IVKJLDKCSA-N 333.903 5.043 0 40 EKAB Clc1cc(Cl)cc(-c2ccc(CNCc3ccccc3)o2)c1 7524664 HYYQEPKFOMDZPH-UHFFFAOYSA-N 332.230 5.543 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc2ncsc2c1 10217353 AVWRPZVFEBGLHF-UHFFFAOYSA-N 348.880 5.071 0 40 EKAB O=C(N[C@H](c1ccccc1)C1CC1)C(c1ccccc1)c1ccccc1 11204094 RSZJSOYSLSPWRK-HSZRJFAPSA-N 341.454 5.086 0 40 EKAB Cc1cc(C)cc(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)c1 15494627 BKLKBGXCGSWIOR-KRWDZBQOSA-N 327.493 5.181 0 40 EKAB CCN(C(=O)c1ccc(-c2ccccc2)nc1C)c1ccccc1C 32753816 VXPNAYWFCOSREJ-UHFFFAOYSA-N 330.431 5.032 0 40 EKAB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 53943997 XDGVNPMOIYQSFP-UHFFFAOYSA-N 348.446 5.311 0 40 EKAB CC(C)c1nc2cc(N[C@H](C)c3nnc(-c4ccccc4)o3)ccc2o1 65563578 ZAPRXIXUUGEORT-CYBMUJFWSA-N 348.406 5.174 0 40 EKAB Cn1c(Oc2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2 85408917 CZTWESAQEJBQEF-UHFFFAOYSA-N 325.367 5.182 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c3c(cccc13)CC2 223386489 XKZORPDXUAOESG-AWNIVKPZSA-N 333.818 5.244 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1C 223394876 FBTXGQWALJWAGR-ZNFPLGDCSA-N 327.855 5.156 0 40 EKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225690234 RWDOWKWFWRXXDS-OAQYLSRUSA-N 347.499 5.096 0 40 EKAB O[C@H](CNc1ccc(CSc2ccccc2)cc1)c1ccccc1 2031722 CVEWCSCWBUNIFZ-OAQYLSRUSA-N 335.472 5.124 0 40 EKAB Cc1ccc(Sc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 2087857 ZELLBPVZKABOBG-LBPRGKRZSA-N 340.517 5.584 0 40 EKAB CC[C@@H](C)NC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 2244180 XXSIYNJKCPZOFQ-CYBMUJFWSA-N 338.838 5.084 0 40 EKAB CC(C)(C)c1ccc(-c2ccc(I)cc2)cc1 2381654 HPIHETXXQCHXAU-UHFFFAOYSA-N 336.216 5.256 0 40 EKAB Cc1cccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)c1C 3101247 RXQCZGKJMJIKMA-QFIPXVFZSA-N 329.443 5.730 0 40 EKAB Cc1ccc2sc(-c3ccc(NC4=NCCCS4)cc3)nc2c1 3223741 IOJGANSGYODFJB-UHFFFAOYSA-N 339.489 5.177 0 40 EKAB COc1cc2c(cc1OC)-c1cc(-c3cc4ccccc4o3)cn1CC2 4086874 NKMWHUQLNHKXQH-UHFFFAOYSA-N 345.398 5.142 0 40 EKAB biogenic c1ccc2cc(OCCSc3ccc4ccccc4n3)ccc2c1 4622835 VFHUKARKZMBOBD-UHFFFAOYSA-N 331.440 5.559 0 40 EKAB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl 4816422 HSQFIZCFPSNJEG-UHFFFAOYSA-N 336.262 5.434 0 40 EKAB CCCCCCSC[C@H](C)O[C@@H](C)CSCCCCCC 5418315 CRAZKLZNOFAKBF-ROUUACIJSA-N 334.635 6.407 0 40 EKAB CCc1nc(SCc2cccc(F)c2)c2oc3ccccc3c2n1 5561606 FIOBWJSJOYURSV-UHFFFAOYSA-N 338.407 5.370 0 40 EKAB CN1CCC[C@H](C[C@@H]2Oc3ccccc3Sc3ccccc32)C1 6520304 ZOXQYFLPDQGMDX-QAPCUYQASA-N 325.477 5.003 0 40 EKAB Cc1ccc2c(CC(=O)Nc3ccccc3-c3ccccc3)coc2c1 7238866 YIJQAFGONUCJDC-UHFFFAOYSA-N 341.410 5.589 0 40 EKAB Cc1nc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2s1 7958493 UTTFFDFRBMUFAV-UHFFFAOYSA-N 340.379 5.051 0 40 EKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1Cl 8286631 UFMWXTAEGOZUEJ-UHFFFAOYSA-N 325.795 5.171 0 40 EKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 13710867 XTTYFJPCAIUHMJ-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB c1ccc(-c2nc(SCc3ccncc3)oc2-c2ccccc2)cc1 16492237 NNPQGVXERCCLIK-UHFFFAOYSA-N 344.439 5.696 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 48544537 ZTZUWJUPIMRHMW-ZRDIBKRKSA-N 337.806 5.560 0 40 EKAB C[C@H](c1ccc(Cl)c(Cl)c1)[S@](=O)Cc1cccc(F)c1 95962098 SWPFUBRNANOLKO-SBKAZYGRSA-N 331.239 5.142 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]3OCCC[C@H]3C[C@@H]12 118936623 ACQLULLJSPDMFX-VZJKCCCYSA-N 330.512 5.003 0 40 EKAB CC(C)(C)C[C@@](C)(c1ccccc1)[Sn](C)(C)C 195779899 CJZKBLCAQSVLHB-UHFFFAOYSA-N 339.111 5.258 0 40 EKAB CCCC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223227624 HYZPUTAQQSWGNU-FUHWJXTLSA-N 331.500 5.127 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225331748 MLHTXWWLQHEBLT-CYBMUJFWSA-N 336.262 5.112 0 40 EKAB Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Cl)cc1F 1504250295 GHLJLDBZVBBTJN-UHFFFAOYSA-N 341.638 5.151 0 40 EKAB O=C(C[C@H](SCc1ccco1)c1ccc(F)cc1)c1ccco1 134680 JKKCXQHPWSXJDL-SFHVURJKSA-N 330.380 5.259 0 40 EKAB Cc1c2occ(-c3ccccc3)c2cc2c3c(c(=O)oc12)CCCCC3 2092890 ORDDGYGOMGFXJN-UHFFFAOYSA-N 344.410 5.784 0 40 EKAB biogenic Cc1cccc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)c1 2234404 MDZGESJGACHWNE-UHFFFAOYSA-N 348.475 5.126 0 40 EKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1ccccc1)c1ccccc1 2736571 PGWQXBZGCJRKSY-IBGZPJMESA-N 337.419 5.298 0 40 EKAB CCCCCOc1ccc(C(=O)O[C@H]2C[C@H]3[C@@H](C[C@@H]2C)C3(C)C)cc1 3192176 OHQAEYDVUFZFSY-LDTOTXGLSA-N 344.495 5.483 0 40 EKAB O=C(Cc1ccc(Cl)cc1Cl)Oc1ccc2ccccc2c1 3289208 FFIHUJBNXFUPJU-UHFFFAOYSA-N 331.198 5.295 0 40 EKAB Clc1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 4039040 FYOVPXMSRXGEEZ-UHFFFAOYSA-N 331.806 5.694 0 40 EKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(Cl)c1 4719185 PIZHYBYCRCJQQO-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB Cc1cccc(NC(=O)Cc2nc(-c3cc4ccccc4o3)cs2)c1 7845682 DBOAUZBUUQETJU-UHFFFAOYSA-N 348.427 5.046 0 40 EKAB CC(C)c1cc(C(=O)Nc2cccc3cccnc23)c2ccccc2n1 14109969 IJYDPTFIDTZXST-UHFFFAOYSA-N 341.414 5.159 0 40 EKAB CC[C@H](C)Oc1cccc(NC[C@H](C)Oc2ccccc2Cl)c1 19737557 XMRCLSBCRDCUIQ-GJZGRUSLSA-N 333.859 5.397 0 40 EKAB Cc1ccc(C)c(O[C@H](C)CNc2ccc(Oc3ccccc3)cc2)c1 19737695 CSDDKDZWBUHTNZ-LJQANCHMSA-N 347.458 5.975 0 40 EKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1C 33760286 VJLLPQKJQOPZSG-UHFFFAOYSA-N 342.870 5.199 0 40 EKAB CCCCC/C=C/C/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC 38203885 WTKAVFHPLJFCMZ-HCAUGEAPSA-N 332.484 5.292 0 40 EKAB CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCC(=O)OC 38267773 RXNIYBHTXVTSAK-JSIPCRQOSA-N 348.571 7.309 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)SCc2cccc(Cl)c2)cc1F 58016034 RZOCLYGLPOBXAU-GFCCVEGCSA-N 337.847 5.048 0 40 EKAB CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(C)cc1 225485359 KQEHGGQUUOUAML-LJQANCHMSA-N 342.508 5.220 0 40 EKAB Cc1sc2ncnc(Nc3ccc(-c4ccccc4)cc3)c2c1C 87386 WQEJKFNYPFNELD-UHFFFAOYSA-N 331.444 5.719 0 40 EKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(Cl)cc1 95877 LOVFRIJHSZOQMJ-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB COc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1 1602221 XUFGQCLHXUUZNO-UHFFFAOYSA-N 326.399 5.215 0 40 EKAB CCCNC(=O)c1cc(-c2ccc(CC(C)C)cc2)nc2ccccc12 2105647 OTIOJLNZRVGHBL-UHFFFAOYSA-N 346.474 5.240 0 40 EKAB Cc1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 3355770 IBUGLHNFFJFMFX-UHFFFAOYSA-N 347.443 5.128 0 40 EKAB CC[C@H](C)C(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C 3670814 PDEHVMSVBREZFS-GAJHUEQPSA-N 335.491 5.554 0 40 EKAB CCOc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 4836963 HRNXWJXVTBWBRC-HSZRJFAPSA-N 342.442 5.441 0 40 EKAB Fc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 5875811 DEQLKGFEIGOTAX-UHFFFAOYSA-N 340.401 5.969 0 40 EKAB CCCC[C@@H](CC)CNC(=S)Nc1ccc(Cl)cc1Cl 6264584 KXQSALWOJFFUAT-LLVKDONJSA-N 333.328 5.496 0 40 EKAB CC(C)c1ccc2occ(CC(=O)Nc3cccc(Cl)c3)c2c1 6809860 NCJIQRUWKFKKRB-UHFFFAOYSA-N 327.811 5.391 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 8478711 XDHUCRGWZXXWDB-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Fc1ccc([C@H](Nc2ncnc3ccsc23)c2cccs2)cc1 13010326 VWLDWLPEGMJLMG-HNNXBMFYSA-N 341.436 5.093 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 14013296 JHPCCBWRWINTFR-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Cc1ccccc1[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 20458550 QNOKSUKUZTVHSS-HXUWFJFHSA-N 335.834 5.168 0 40 EKAB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c(C)o1 25714020 ZHAWLHHYGPKBDY-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccco2)cc1 28231905 DWQIZKRPHWSYNI-UHFFFAOYSA-N 337.419 5.013 0 40 EKAB CCOc1cccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)c1 30851915 SPJZWVRNYABYOD-KRWDZBQOSA-N 349.883 5.248 0 40 EKAB Cc1ccc(O[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C 33327219 SIQPOWQIMJTMGW-NSHDSACASA-N 335.234 5.627 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(C)C)cc3)o2)cc1 39851069 JBXIIWGKNBGQQW-UHFFFAOYSA-N 349.430 5.543 0 40 EKAB CC[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc(C)cc1C 222678577 VTQVBEKVGPOLHE-QHCPKHFHSA-N 345.486 5.657 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225467156 PMAKKFPADMGKGT-INIZCTEOSA-N 348.899 5.095 0 40 EKAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 225651274 FENNJSZXCDKCAN-UHFFFAOYSA-N 343.426 5.095 0 40 EKAB CC(C)(Cc1ccccc1)NC(=O)CCc1ccc(C(C)(C)C)cc1 225702340 PBEKHLHWVLIHTQ-UHFFFAOYSA-N 337.507 5.054 0 40 EKAB Clc1csc2cc(Oc3ccc(Br)cc3)ccc12 228953004 VVLPBOOQKOLSKA-UHFFFAOYSA-N 339.641 6.110 0 40 EKAB Cc1ccc2nc(-c3ccc(-c4ccc(F)cc4)o3)cc(C(=O)O)c2c1 108862 WQZOIDMCNMPJRQ-UHFFFAOYSA-N 347.345 5.308 0 40 EKAB Fc1ccc2oc(-c3cc(Cl)cc4c3OCOC4)cc(=S)c2c1 138869 DHAMQJZQOWKHKR-UHFFFAOYSA-N 348.782 5.488 0 40 EKAB Fc1c(C(F)(F)F)cc(Cl)c(C(Cl)(Cl)Cl)c1F 2509674 PEHVDMJTRUESJC-UHFFFAOYSA-N 333.898 5.464 0 40 EKAB Cc1ccc([P@@](=O)(N(CCC(C)C)CCC(C)C)C(C)(C)C)o1 3166774 SZRLTUWXJNWAJP-QHCPKHFHSA-N 341.476 5.684 0 40 EKAB Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1C 3213706 QEJMEUIETBCHGT-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB O=C(c1ccc2ccccc2n1)N(Cc1ccccc1)c1ccccc1 3333680 VGJPPBAMRDOHLE-UHFFFAOYSA-N 338.410 5.082 0 40 EKAB Cc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 4031710 QGEAEGWOHNFMGL-UHFFFAOYSA-N 345.265 5.625 0 40 EKAB CCSc1ccccc1C(=O)Nc1nc2c(CC)cccc2s1 4585716 URZWQLICAZIMPG-UHFFFAOYSA-N 342.489 5.223 0 40 EKAB O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)Nc2ccc3ccccc3c21 4854940 WFPGYQBYEFHYIE-QHCPKHFHSA-N 349.433 6.246 0 40 EKAB Cc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 17067933 QCIQQTHFKAAYSZ-AWEZNQCLSA-N 330.859 5.655 0 40 EKAB O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccc1 31850694 ONIJHABKZMJJOO-UHFFFAOYSA-N 333.456 5.012 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 58840008 WUGHGXWZFHAUOG-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)c1ncc(C(C)(C)C)o1 95406430 RSRWECFVFMFASD-SECBINFHSA-N 330.375 5.239 0 40 EKAB c1ccc(Nc2cccc(N(c3ccccc3)c3ccccc3)c2)cc1 96336235 SLWKZPBLYVPJKI-UHFFFAOYSA-N 336.438 6.900 0 40 EKAB COc1cc([C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1OC(=O)Nc1ccccc1 101275879 BEGPRXZENQASEA-IIDMSEBBSA-N 337.419 5.210 0 40 EKAB Cc1cccc([C@@H](NC(=O)c2ccc(C)cc2C)c2ccccc2)c1 223321991 BVSOUFOJVZSUSH-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1C 223394922 FBTXGQWALJWAGR-SCOAYWHSSA-N 327.855 5.156 0 40 EKAB C[C@@H](Cc1cccc2ccccc12)C(=O)NC(C)(C)CC(C)(C)C 224941050 FEJNUJNJLREJPB-INIZCTEOSA-N 325.496 5.349 0 40 EKAB Cc1cc(-n2cccc2)cc2nc(-c3ccc(Cl)c(Cl)c3)oc12 226247807 VAWXJGGJZXGUAS-UHFFFAOYSA-N 343.213 5.901 0 40 EKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C)cc1 71914 OUZXHDLASNTREI-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB CCOc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 480083 YMQIBSJKUWPMBT-UHFFFAOYSA-N 335.881 5.641 0 40 EKAB Clc1ccc(C(=Cc2ccccc2)c2ccc(Cl)cc2)cc1 1670383 OEYPUXSHQLSKCV-UHFFFAOYSA-N 325.238 6.582 0 40 EKAB CC1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 1807520 LEEVSJXRFWWYQX-UHFFFAOYSA-N 337.854 5.187 0 40 EKAB c1ccc(CSc2nc(Cc3ccccc3)nc3ccccc23)cc1 3063721 LPLKJDLCJURWMA-UHFFFAOYSA-N 342.467 5.513 0 40 EKAB CCCC1CCC(c2ccc(C(=O)Nc3cc(C)ccn3)cc2)CC1 3107738 YOPYCQXTIMSZRF-UHFFFAOYSA-N 336.479 5.716 0 40 EKAB Cc1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 3328470 MRYNNTWTTVJDFL-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB c1ccc(-c2nc(N3CCCCCC3)c3oc4ccccc4c3n2)cc1 5216324 AFVHXIKTZXPQIH-UHFFFAOYSA-N 343.430 5.423 0 40 EKAB O=C(CSCc1ccccc1)Nc1ccccc1Oc1ccccc1 7603282 IONFGFFVBHQQSF-UHFFFAOYSA-N 349.455 5.351 0 40 EKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Oc2ccccc2)cc1 7988129 IVCXDUCAWYCJPX-JOCHJYFZSA-N 343.426 5.286 0 40 EKAB C[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cccs1 12818662 ZSOMOEKTYXTRSN-ZDUSSCGKSA-N 348.427 5.047 0 40 EKAB Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1C 14796017 QRPDZWDHTGLLCV-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CCOc1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 38757072 IREHWEZGEWCIRX-QGZVFWFLSA-N 349.883 5.248 0 40 EKAB Clc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)c(Cl)c1 73639955 GABFNEKZNHZSMV-UHFFFAOYSA-N 340.209 6.469 0 40 EKAB CCCCc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1 90428844 GIIOQOZBJWKPHR-UHFFFAOYSA-N 334.890 6.560 0 40 EKAB COc1cc([C@H]2C[C@@H]3CC[C@@H]2C3)ccc1OC(=O)Nc1ccccc1 101275882 BEGPRXZENQASEA-RKVPGOIHSA-N 337.419 5.210 0 40 EKAB Brc1ccccc1-c1nc2ccc(-n3cccc3)cc2o1 216741474 GPCXWGAALUZMFC-UHFFFAOYSA-N 339.192 5.048 0 40 EKAB Oc1c(Br)cc(Cl)cc1-c1nc2ccccc2s1 409191857 OXRNSPZFUSOEIA-UHFFFAOYSA-N 340.629 5.085 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 364922 FPJYWIOJNKWNJX-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB COc1ccc2c(c1)nc(SCc1ccc(C(C)(C)C)cc1)n2C 972607 YCLGLCJAARRLKZ-UHFFFAOYSA-N 340.492 5.172 0 40 EKAB CCc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 2641331 KMKVBPZLKJRGQV-UHFFFAOYSA-N 343.470 5.201 0 40 EKAB CCCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 3353209 HPTWABVHEZXCFE-GZTJUZNOSA-N 327.811 5.012 0 40 EKAB O=C1C[C@H](c2ccc(-c3ccccc3)cc2)Nc2ccc3ccccc3c21 4854941 WFPGYQBYEFHYIE-HSZRJFAPSA-N 349.433 6.246 0 40 EKAB Cc1ccc(OCCn2cc(C(=O)C(C)(C)C)c3ccccc32)cc1 6256071 GDRAGYLZENSSSN-UHFFFAOYSA-N 335.447 5.258 0 40 EKAB Clc1ccc([C@H](CCN2CCCC2)Cc2ccccc2Cl)cc1 6719473 MGZCZAZMGBLOAX-QGZVFWFLSA-N 348.317 5.806 0 40 EKAB C[C@@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1 7539732 DUAVWXIPBLXPBL-CYBMUJFWSA-N 329.802 5.590 0 40 EKAB CC1CCC(NC(=O)N2c3ccccc3Sc3ccccc32)CC1 13574418 WNKONZPUFOHPHS-UHFFFAOYSA-N 338.476 5.578 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1ccccc1CCc1ccccc1 13688216 GIEBIQNZJIOPRB-UHFFFAOYSA-N 335.834 5.378 0 40 EKAB C[C@@H](Sc1ccc(F)c(Cl)c1)c1nc(-c2cccs2)no1 26050932 UVSOJYGEKLVKLA-MRVPVSSYSA-N 340.832 5.444 0 40 EKAB CCCCC[C@H](O)/C=C/[C@H]1CC2CC(C2)[C@H]1C/C=C\CCCC(=O)O 27642739 ZIWNJZLXPXFNGN-ZFTLMAEVSA-N 348.527 5.347 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 30866372 JCYOVFLFKGDMEL-OALUTQOASA-N 345.870 5.073 0 40 EKAB Clc1ccc(/C=C(\c2ccccc2)c2nc3ccccc3[nH]2)cc1 33248310 ASPBKDFUVXARPS-NBVRZTHBSA-N 330.818 5.805 0 40 EKAB Clc1ccc2c(Cl)c(-c3nc(-c4ccccc4)no3)sc2c1 36614364 QJFXJAFPVQJEDI-UHFFFAOYSA-N 347.226 5.925 0 40 EKAB CCSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(Cl)c1 44087238 WGOJFHOUKHLZQR-UHFFFAOYSA-N 344.867 5.313 0 40 EKAB CCc1ccc2oc(-c3ccc(Br)c(Cl)c3)nc2c1 57351578 ODQXGPZZLDCTMA-UHFFFAOYSA-N 336.616 5.473 0 40 EKAB Cc1cc(NC(=S)Nc2ccc(F)cc2Cl)ccc1Cl 71761770 BYUXXDSCRPVIPG-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 96171162 BGLJSUOSGKDBHJ-UHFFFAOYSA-N 342.748 5.565 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)c1cc2c(ccc3ccccc32)o1 408629875 JOHSTWUWJRUSCO-UHFFFAOYSA-N 335.790 5.800 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 147134 VWZQCJQCZGNQRI-SOFGYWHQSA-N 340.637 5.607 0 40 EKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1 363806 JLHWFEXZSRNDAF-UHFFFAOYSA-N 343.732 5.010 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1 364129 HBCNTBUZOFJEAW-UHFFFAOYSA-N 344.867 5.500 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 505806 JRGYYCASFONBPN-IAGOWNOFSA-N 339.479 5.731 0 40 EKAB Cc1cc(C)c2nc(SCc3ccc(Cl)cc3)nc(C)c2c1 546851 DVPRUJLXEKLTMH-UHFFFAOYSA-N 328.868 5.501 0 40 EKAB Cc1cc(C)cc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1 1281088 LUGRTBZJFPXTQM-HSZRJFAPSA-N 341.458 5.690 0 40 EKAB O=C(C[C@@H](C(=O)c1ccsc1)c1cccs1)c1cccs1 1633442 ONLGAPULPXHIOU-GFCCVEGCSA-N 332.471 5.111 0 40 EKAB C1=C[C@@H]2Cc3cc4nc(-c5ccc6ccccc6n5)ccc4cc3[C@H]2C=C1 2258950 XJLBNEZFPZKAEO-XLIONFOSSA-N 346.433 5.832 0 40 EKAB CCc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2790498 BVWLAHVUXQVARA-UHFFFAOYSA-N 331.843 5.009 0 40 EKAB Cc1ccc(CSc2cn(Cc3ccccc3)c3ccccc23)cc1 4059621 SJWORHWKGLYTKH-UHFFFAOYSA-N 343.495 6.290 0 40 EKAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccccc1Cl 4678569 JQWZIAVMPZPKBS-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB Cc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 4851435 KOGVJNHWROUWIB-UHFFFAOYSA-N 340.220 5.163 0 40 EKAB CCSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)O 5714509 QNZDGMREJNLWAP-UHFFFAOYSA-N 343.835 5.365 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(-c2ccccc2)o1 7891038 DFJPLRWJFBXAKW-JTQLQIEISA-N 335.190 5.183 0 40 EKAB CSc1ccc(Cl)c(C(=O)N[C@H]2CCSc3ccccc32)c1 7980977 AEYMZOIVMFBMBP-HNNXBMFYSA-N 349.908 5.029 0 40 EKAB CC1(C)C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 13669428 LKFNPWNVONSFEK-GOSISDBHSA-N 337.463 5.016 0 40 EKAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 13673000 NYQHRJSQBHXRFN-UHFFFAOYSA-N 342.653 5.009 0 40 EKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1 19690779 YNGFDLZQBLWFQV-QFIPXVFZSA-N 342.442 5.034 0 40 EKAB O=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 22017635 JNJCGICISDLLEA-NRFANRHFSA-N 342.398 5.344 0 40 EKAB CCCC[C@H](C/C=C\C=C\CCC[C@H](C)O)c1ccccc1C(=O)O 33955892 NYDNWAYCRJADHT-KFVVIKHCSA-N 344.495 5.712 0 40 EKAB Clc1ccc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 71613669 WAGIESWOTQOLJS-UHFFFAOYSA-N 347.672 6.827 0 40 EKAB Cc1c(F)cccc1NC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 89540348 LXJWFKKZZLGMLJ-UTKZUKDTSA-N 338.426 5.067 0 40 EKAB CCCCC[C@@H](CC)OC(=O)c1ccccc1C(=O)OCCCC 95869921 WGGPIODSUQZNTP-MRXNPFEDSA-N 334.456 5.159 0 40 EKAB Cc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1C 107027117 VHNAGMKSOZEONB-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC 213298312 XKZIJJIPQXQYBG-GJDCDIHCSA-N 346.555 7.085 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)NCc2cccc3ccccc23)cc1 222853361 KWIKIXVEAYVDOK-UHFFFAOYSA-N 345.486 5.386 0 40 EKAB CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 225305507 IYXMVFABFDOQIZ-OAQYLSRUSA-N 335.491 5.402 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2cccc(F)c2)C(C)C)c(C)c1 225764505 PMNGZZUCYPRPIT-GOSISDBHSA-N 330.472 5.126 0 40 EKAB 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CC(C)(C)c1cc(/C=C2/C(=O)Nc3ccccc32)cc(C(C)(C)C)c1O 2529218 NUMNJHZZSGKINB-LFIBNONCSA-N 349.474 5.480 0 40 EKAB Cc1cc(-c2ccccc2)nc(SC(=O)c2ccc(Cl)cc2)n1 3078213 MSHISBXSZHLRQX-UHFFFAOYSA-N 340.835 5.038 0 40 EKAB CCCCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 5030284 FPVBNRSEAVCTTA-UHFFFAOYSA-N 330.435 5.227 0 40 EKAB CC(C)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 5913216 LXFIESDGJIISRQ-CSKARUKUSA-N 334.246 5.769 0 40 EKAB O=C(N[C@H]1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1 6084508 OLLKTVDWWBMFTK-QFIPXVFZSA-N 343.426 5.286 0 40 EKAB CCc1ccc(OCc2n[nH]c(=S)n2[C@@H](C)CCCC(C)C)cc1 6343515 GCWFBJNERWTBLJ-HNNXBMFYSA-N 347.528 5.469 0 40 EKAB COc1ccc(NC(=O)c2sc3ccccc3c2C)cc1Cl 7955991 PKJQIYCZBIIQOV-UHFFFAOYSA-N 331.824 5.124 0 40 EKAB Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c(C)o1 9872864 UKJGDJRYJLQLDI-UHFFFAOYSA-N 338.388 5.018 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(F)c(Cl)c1 13790041 FXKDVOIZVMAJCF-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1cc(C)c(NC(=O)CCc2ccc(-c3ccccc3)o2)c(C)c1 14076104 KGHHLJWMEFIHQC-UHFFFAOYSA-N 333.431 5.443 0 40 EKAB Clc1ccccc1COc1ccccc1CNC1CCCCCC1 16449633 XFWCMFFBJRKWRA-UHFFFAOYSA-N 343.898 5.731 0 40 EKAB c1ccc(CCCOc2ccccc2NCCc2ccccc2)cc1 19738454 VIPABZHIOTYRGS-UHFFFAOYSA-N 331.459 5.353 0 40 EKAB C[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(F)cc1 20110573 QGYCLDGUHTYBCZ-JMMZKRSASA-N 345.417 5.244 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(Cl)c1C 22515550 ZBNMOXCMRJSRHB-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB CCCCCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 36614094 UQXUVCCUPOHNAY-UHFFFAOYSA-N 339.817 5.727 0 40 EKAB O[C@H](c1cc(Br)ccc1Cl)c1cccc2ccccc12 79905493 KWPQNVSDZKYZTK-KRWDZBQOSA-N 347.639 5.337 0 40 EKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 106960528 WKHNZPCCHBALTE-UHFFFAOYSA-N 347.458 5.503 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)C2 221960527 CUOJJHDEHUPGNT-NCHVAJSOSA-N 342.266 5.757 0 40 EKAB COc1cc(C)c([C@H](C)NC(=O)Nc2ccccc2)cc1C(C)C 223265559 HAHYTSOVSORXQG-HNNXBMFYSA-N 326.440 5.010 0 40 EKAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 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40 EKAB CCC(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 547938 XAPVVORXJOIMEZ-UHFFFAOYSA-N 335.190 5.150 0 40 EKAB CC(C)(C)c1ccc(COc2ccc(Br)cc2C=O)cc1 936089 HHEQALDXDBCAEP-UHFFFAOYSA-N 347.252 5.138 0 40 EKAB Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1 2521629 XBVSGJGMWSKAKL-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic c1ccc(CSc2nc3ccccc3n2Cc2ccccc2)cc1 3145127 QRHKEOIZDHEJHI-UHFFFAOYSA-N 330.456 5.377 0 40 EKAB CCCCCCC(=O)C[C@@H](SCCN)c1ccccc1Cl 3647285 YQQARFOSNBCVNM-QGZVFWFLSA-N 327.921 5.003 0 40 EKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 3885071 KVJSBURZPOBEQI-ACCUITESSA-N 335.790 5.073 0 40 EKAB Cc1ccc2cccc(OC(=O)c3ccc(-c4ccccc4)cc3)c2n1 4064172 AQBYNFKYSOVWBA-UHFFFAOYSA-N 339.394 5.429 0 40 EKAB Cc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 6721438 IMBOUWBOGBHBGG-RXVVDRJESA-N 346.455 5.299 0 40 EKAB COc1ccc(NC(=O)Nc2cccc3ccccc23)cc1Cl 6847105 DNQDRCBPRUPBNX-UHFFFAOYSA-N 326.783 5.146 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CCC[C@@H]1C2c1ccccc1 13590661 IKCGIWILPRYZKB-QTBVYMFASA-N 341.454 5.608 0 40 EKAB CC(=O)c1c(C)cc(C)c(CN[C@H](c2ccc(F)cc2)C(C)C)c1C 27453050 ZNKQJWGTRKMOPH-QFIPXVFZSA-N 341.470 5.440 0 40 EKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccc(Cl)cc2Cl)C1 100984819 BPOSXTCPCGWVTP-PXAZEXFGSA-N 326.267 5.034 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCC(=O)OC 142378868 VCDLWFYODNTQOT-ARBQJINPSA-N 342.523 6.637 0 40 EKAB CCc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 224574231 HFWGXOMZMCOXLI-AWEZNQCLSA-N 347.911 5.013 0 40 EKAB S=C(Nc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 225465557 YXWBXEHDLRHJFI-UHFFFAOYSA-N 346.883 5.470 0 40 EKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cccc(C)c2)cc1 225496619 CZTSOYRHHAKZKJ-IBGZPJMESA-N 342.508 5.077 0 40 EKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225533325 MKRRKBZMWQJHTF-UHFFFAOYSA-N 337.463 5.316 0 40 EKAB Brc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1 226247119 OMQCJTPWBYNAPW-UHFFFAOYSA-N 339.192 5.048 0 40 EKAB Cc1nc2ccc(NC(=S)NC(C)(C)CC(C)(C)C)cc2s1 408975711 CJXZTTMCIPTNCH-UHFFFAOYSA-N 335.542 5.106 0 40 EKAB Cc1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1C 409115843 HSXZWMAEURFPBG-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)Nc3c(C)cccc3C)sc2c1 380981 GIVBGYHUETUPCO-UHFFFAOYSA-N 329.852 5.732 0 40 EKAB CCc1ccc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 1863853 PQMBCRHRHDGKCQ-UHFFFAOYSA-N 338.491 6.063 0 40 EKAB Cc1cc2occ(-c3ccc(Cl)cc3Cl)c(=O)c2cc1Cl 2529827 NNGPZRMQCJBQNU-UHFFFAOYSA-N 339.605 5.729 0 40 EKAB biogenic Cc1ccc([P@](=O)(N(CCC(C)C)CCC(C)C)C(C)(C)C)o1 3166773 SZRLTUWXJNWAJP-HSZRJFAPSA-N 341.476 5.684 0 40 EKAB CC(C)(C)c1ccc(CN2N=C(/C=C/c3ccccc3)CCC2=O)cc1 4041690 CDDQOPVWPGXQSH-SDNWHVSQSA-N 346.474 5.176 0 40 EKAB CC(C)CCN(CCC(C)C)C(=O)/C=C/c1cnc2ccccc2c1 4052079 ZHMLONYLXHOWHX-MDZDMXLPSA-N 338.495 5.169 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCCC2)cc1 7504920 STTCDTBWJDZOTC-UHFFFAOYSA-N 336.479 5.361 0 40 EKAB Cc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 12374228 SVNQTOHVIQOSHR-HIXSDJFHSA-N 345.829 6.294 0 40 EKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(C)C 14257970 AJFWVGQSXJMULG-UHFFFAOYSA-N 336.435 5.521 0 40 EKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)C1CCCC1 21004359 XNDPPHDCXINVPG-UHFFFAOYSA-N 340.810 5.277 0 40 EKAB O=C(c1ccccc1OC(F)(F)F)c1c(Cl)cccc1Cl 95917442 WGGDTCLYCYBHMX-UHFFFAOYSA-N 335.108 5.123 0 40 EKAB Cc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc3ccccc3n21 102656701 HFMRIHQKODJESC-HXUWFJFHSA-N 329.403 5.016 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1cccc2ccccc12 224455391 IVOQWTOIHNMFPA-XLIONFOSSA-N 341.495 5.330 0 40 EKAB O=C(OC1CCCCC1)c1ccc(COc2ccccc2Cl)o1 355423 UKKAQJIYQHEFPF-UHFFFAOYSA-N 334.799 5.002 0 40 EKAB c1ccc(-c2c(-c3ccc4ccccc4n3)cnc3ccccc23)cc1 978085 SRJPSBLSAVHATR-UHFFFAOYSA-N 332.406 6.117 0 40 EKAB Cc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2N)cc1 3308228 PMUPQNIDIMQBFR-UHFFFAOYSA-N 340.430 5.174 0 40 EKAB aggregator Cn1c2ccccc2c2ccc(/C=C/c3nc4ccccc4s3)cc21 4059086 GPLTVHYROVHXPL-ACCUITESSA-N 340.451 6.112 0 40 EKAB CCCCCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4357240 KDJSYLNRHAJTBJ-UHFFFAOYSA-N 341.495 5.411 0 40 EKAB CO[C@@H]1c2ccccc2C(=O)N1C1CCCCCCCCCCC1 4662578 VGXDNDRHFPFNLL-OAQYLSRUSA-N 329.484 5.461 0 40 EKAB Cc1occc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1 7195515 YHRSITUPCXCKMH-UHFFFAOYSA-N 341.219 5.237 0 40 EKAB C[C@H](NCc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 8497286 OARFKBXQFLSDFD-UHSVVUDUSA-N 338.322 5.688 0 40 EKAB CCCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 12406107 HFMQDFRNYPISEE-UHFFFAOYSA-N 347.414 5.520 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(C)cc1 17067350 DNFPKTYENPDLBR-UHFFFAOYSA-N 328.481 5.110 0 40 EKAB CCc1nn2c(Nc3ccc(C)cc3)cc(C)nc2c1-c1ccccc1 23115009 YETHICVZVUZWFB-UHFFFAOYSA-N 342.446 5.319 0 40 EKAB Cc1c(Cl)cccc1N(C(=O)C1CC1)c1nc2ccccc2s1 28604887 PDLVIYYEEYXULM-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(C)cc1 30847885 XTKLDZZCALOQPF-IBGZPJMESA-N 345.870 5.075 0 40 EKAB Cc1ccc2nc(Nc3nc4c(Cl)cccc4s3)oc2c1C 57352911 PNLIRXFBWNTAKU-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1cccc(F)c1 58168116 CFDHELMVMSEDLV-QHCPKHFHSA-N 332.484 5.189 0 40 EKAB Cc1cc(-c2nc(Nc3ccccc3Cl)sc2C)ccc1F 67322002 QKRCMZIODIAFFY-UHFFFAOYSA-N 332.831 5.963 0 40 EKAB Clc1ccc2oc(-c3ccccc3)c/c(=N/c3nccs3)c2c1 101218262 LZHAASWQLSQANP-QNGOZBTKSA-N 338.819 5.442 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 216494035 GTSNPZXSISZVLV-AORWBKJGSA-N 334.246 5.192 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c(Cl)c1 225003459 POIQEAAYOFDPNL-UHFFFAOYSA-N 329.827 5.222 0 40 EKAB CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)c1 225711458 WIDZQGPPYKUEJO-IBGZPJMESA-N 342.508 5.140 0 40 EKAB Cc1ccc(-c2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1 226303542 NNDPQQUCOBYSCF-UHFFFAOYSA-N 342.486 6.006 0 40 EKAB Cc1ccccc1NCc1cccc(OCc2cccc(Cl)c2)c1 409120932 XFHDVMUFFOPDOV-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Oc1ccc(OCc2ccccc2)cc1-c1c[nH]nc1-c1ccsc1 524733240 BCPPOPVBLJTNTO-UHFFFAOYSA-N 348.427 5.090 0 40 EKAB CC(C)(C)C(=O)OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 165355 AUTFHMIRZWKXHB-UHFFFAOYSA-N 342.382 5.523 0 40 EKAB Cc1oc2cc3oc(=O)c4c(c3cc2c1-c1ccccc1)CCCCC4 489299 LEOSSFUSKMWPAY-UHFFFAOYSA-N 344.410 5.784 0 40 EKAB biogenic CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2[C@@H](C)CC)cc1 505781 AKVNYOCCIHAZPA-IRXDYDNUSA-N 339.479 5.731 0 40 EKAB CCCCCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1781040 WNQFMOGEFRLKIX-UHFFFAOYSA-N 339.479 5.805 0 40 EKAB Cc1ccc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn23)cc1 2264783 DGVSXJGBJQSTGY-UHFFFAOYSA-N 348.475 5.126 0 40 EKAB O=C(CCNc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 4622528 BSBUMMBOBHSXQA-UHFFFAOYSA-N 333.309 5.137 0 40 EKAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(Cl)c1 4678456 NAAKVIGRJYHDMM-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB Cc1ccc([C@@H](CCN[C@H](C)c2cccs2)c2ccco2)cc1 4909799 JFDCWISCXVUYIG-SJLPKXTDSA-N 325.477 5.522 0 40 EKAB Cc1ccc(F)cc1NC(=S)Nc1ccc(Cl)cc1Cl 6923980 YUFZJHFJZNMEHN-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1C 7942024 XUKLJJOHVFBYOR-UHFFFAOYSA-N 331.415 5.058 0 40 EKAB CCOc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 10294216 DVTCLKFENMQCOJ-CJLVFECKSA-N 343.426 5.265 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccccc2OCc2ccccc2)c(C)c1 13687198 PAHDSVOCEKTQPO-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB CC(=O)c1cn(C(=O)Nc2cccc3ccccc23)c2ccccc12 16322060 XNYRBYIDJVIJAA-UHFFFAOYSA-N 328.371 5.077 0 40 EKAB CCN(C(=O)CC(C)C)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993017 RRNUUNWAOURTSX-HSZRJFAPSA-N 348.490 5.460 0 40 EKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Oc4ccc(Cl)cc4)cc3c2C1 89930070 QBFYFEMIPNGXQD-GFCCVEGCSA-N 339.822 5.165 0 40 EKAB Clc1cc(Cl)cc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 226294043 RIHMNPVFNPBOLF-UHFFFAOYSA-N 333.001 6.108 0 40 EKAB Cc1ccccc1CNC(=S)c1ccccc1OCc1ccccc1 408578145 WBYQZKGALZKIBV-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB Cc1ccc2cccc(SCc3ccc(Br)cc3)c2n1 63931 SMJATJCEHQLSIX-UHFFFAOYSA-N 344.277 5.598 0 40 EKAB O=C(C[C@H](C(=O)c1cccs1)c1ccsc1)c1cccs1 109463 GWMWXYPTUCHUAT-LBPRGKRZSA-N 332.471 5.111 0 40 EKAB CC(C)c1cc(Br)cc(C(C)C)c1OCCCN(C)C 1734063 AMOOZJVRUAOOLU-UHFFFAOYSA-N 342.321 5.026 0 40 EKAB CCN(CC)CCCCCCCN(C)Cc1cc2ccccc2o1 2068613 NBWNFFPGODZENK-UHFFFAOYSA-N 330.516 5.157 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 3459491 ONVLIWMADXOKKR-UHFFFAOYSA-N 341.332 5.625 0 40 EKAB COC(=O)c1ccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc1 5559251 XIJMTFHLTIZCLM-KPKJPENVSA-N 335.428 5.076 0 40 EKAB Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 6040786 JHXKIKATRREBBH-UHFFFAOYSA-N 337.422 6.097 0 40 EKAB C[C@H](Sc1ccc2ccccc2n1)C(=O)c1c[nH]c2ccccc12 12510531 YGCXZNPFFXBNMQ-ZDUSSCGKSA-N 332.428 5.080 0 40 EKAB C[C@H]1C[C@H](C)CN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 12631030 ODZBMQCZYLMEHC-ZWOKBUDYSA-N 339.504 5.025 0 40 EKAB CCc1ccc(NC(=O)CCc2ccc(-c3ccc(OC)cc3)o2)cc1 15867346 BJOOKVWQQVPRGT-UHFFFAOYSA-N 349.430 5.089 0 40 EKAB CCCCOc1ccc(-c2nc3ccccc3s2)cc1OCC 16639307 VIGXORMOZTVTBG-UHFFFAOYSA-N 327.449 5.541 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1C 20042871 FBSYATVOXVEWOV-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB CCCOc1ccc(Br)cc1CNc1ccccc1CC 37213325 OCOMLTGTRYKZNP-UHFFFAOYSA-N 348.284 5.412 0 40 EKAB CCCCCCOc1ccc(C(=O)CCCCCCC(=O)O)cc1 43214141 BHGLMAQDAQZSLD-UHFFFAOYSA-N 334.456 5.254 0 40 EKAB Cc1cccc(COc2ccc(/C=C/C(=O)Oc3ccccc3)cc2)c1 85397249 MSBZDMCFRLDECH-NTCAYCPXSA-N 344.410 5.193 0 40 EKAB CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918430 XTSCVFJBNHHMKD-WJONBXBPSA-N 332.528 5.129 0 40 EKAB CC(C)c1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225045423 XSMKCSSHPNWTAW-HXUWFJFHSA-N 340.463 5.182 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 225255372 GPAONKQCOIHLKB-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB O=C(CCc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 409205927 RFCYLAKKXILNDZ-UHFFFAOYSA-N 343.451 5.779 0 40 EKAB CC(C)c1c(C(F)F)[nH]c2ccc(SC(F)(F)F)cc2c1=O 685938009 UPXWVKYTNNXPSW-UHFFFAOYSA-N 337.313 5.201 0 40 EKAB O=C(Cc1cccc2ccccc12)NCc1cc(-c2ccco2)cs1 1775968347 CMQDJYBIJYEUCD-UHFFFAOYSA-N 347.439 5.020 0 40 EKAB Fc1nc(F)c(Cl)c(Oc2ccc(-c3ccccc3)cc2)c1F 551693 OLBRSDVGMGRBNP-UHFFFAOYSA-N 335.712 5.612 0 40 EKAB Cn1c(-c2cccs2)cc(-c2ccsc2)c1-c1ccsc1 1636197 MIGASLJKTIWJML-UHFFFAOYSA-N 327.499 6.211 0 40 EKAB CC(C)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 1705440 MIPQLHWCISMQNT-UHFFFAOYSA-N 331.415 6.147 0 40 EKAB Fc1nc(F)c(Cl)c(Nc2c(Cl)cccc2Cl)c1F 2205669 BBEUUTUJATZNPW-UHFFFAOYSA-N 327.520 5.203 0 40 EKAB Cc1c(C(=O)N[C@H](C)CCc2ccccc2)oc2c(Cl)cccc12 2633651 WBXZMRYQUXIBQA-CYBMUJFWSA-N 341.838 5.146 0 40 EKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 3447155 OLVKUCUZFNIAPF-UHFFFAOYSA-N 349.861 5.178 0 40 EKAB CC(=O)Nc1ccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc1 5131215 FHZWLGOTLINBAE-KPKJPENVSA-N 334.444 5.247 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1ccccc1C(F)(F)F 5937337 VSHBAFKKOFKRFM-UHFFFAOYSA-N 341.332 5.625 0 40 EKAB Clc1ccc(-c2csc3ncnc(NC4CCCC4)c23)cc1 11915771 YUFYXDIPHIKEJA-UHFFFAOYSA-N 329.856 5.366 0 40 EKAB CC(=O)N(c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 27027105 CLVGSLHNFDFZMW-UHFFFAOYSA-N 328.824 5.148 0 40 EKAB CCN(c1ccccc1)c1ccc(C(=O)Nc2cc(C)ccc2C)cc1 78582388 GQNOGQWLPGURIL-UHFFFAOYSA-N 344.458 5.714 0 40 EKAB C[C@@H]1CC2=Nc3ccccc3N[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102602418 UIHUSGZBYAYCKS-BIBXISHDSA-N 340.373 5.446 0 40 EKAB Fc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1 107027134 FXNGNVYAIDNDDY-UHFFFAOYSA-N 325.358 5.156 0 40 EKAB CCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222909734 WYTXNBIVOKCRQN-FQEVSTJZSA-N 339.479 5.343 0 40 EKAB CCCCc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225128660 KIIKMHIUKIYMTK-NRFANRHFSA-N 340.463 5.227 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 245333861 BJQLPOYHBJQLJD-PNSOSZFCSA-N 343.898 5.916 0 40 EKAB Cc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)c(C)c1 409117902 PLOKDDAHPLCQJM-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CCCC[C@H](C)C(=O)C[C@@H](SCC)c1ccc(Cl)c(Cl)c1 1570346 NPRSMUDQTFUNGZ-YVEFUNNKSA-N 347.351 6.573 0 40 EKAB Fc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1 2347632 LTZNKXAPJRUCOK-PMACEKPBSA-N 339.797 5.709 0 40 EKAB CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2O)nc2ccccn12 4161693 CBSDMDMRUWSWHW-UHFFFAOYSA-N 337.467 5.334 0 40 EKAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 4614002 ODZBMQCZYLMEHC-MBOZVWFJSA-N 339.504 5.025 0 40 EKAB CC[C@@H](C)Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OC 6355880 XVQVRDNKHDYDJC-KZKLBEMASA-N 340.444 5.202 0 40 EKAB Cc1cc(C)cc(NC(=O)c2ccccc2OCc2ccccc2)c1 6903618 QDADEUZXBSVCQN-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CC[C@H](C)C3)cc1 12610092 BIHFKYQPQSJABS-HNNXBMFYSA-N 347.527 6.275 0 40 EKAB c1ccc(-c2nnc(SC(c3ccccc3)c3ccccc3)o2)cc1 12763441 XCQORLAGSZFEIB-UHFFFAOYSA-N 344.439 5.618 0 40 EKAB CCCCc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 14258356 DLNOYPHYSXEORO-QGZVFWFLSA-N 339.479 5.560 0 40 EKAB C[C@H](CCOP(O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C 16891930 MFIIGQHYZVHQND-XVQYUUQNSA-N 334.481 6.164 0 40 EKAB CCCCCC/N=c1/cc(-c2ccc(OC)cc2)oc2ccc(C)cc12 18089077 JMFFJYUVKPJFFS-FLFQWRMESA-N 349.474 5.898 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20111205 LTMBCPGTWAPBHO-MRXNPFEDSA-N 325.452 5.339 0 40 EKAB O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)c1ccccn1 20897005 KLDGDZLTPFFRKV-UHFFFAOYSA-N 343.839 5.035 0 40 EKAB COc1ccc([C@H](CC(=O)c2ccc(F)cc2)Nc2ccccc2)cc1 72422430 FKKLJJVHIGDTPO-NRFANRHFSA-N 349.405 5.261 0 40 EKAB Cc1c(C(=O)O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 216948099 GNAZUYULSQRHHX-UHFFFAOYSA-N 334.202 5.003 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1SC(C)C)c1ccc(C)cc1C 219658061 XYEXXEATWDASKV-LJQANCHMSA-N 341.520 5.685 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1ccc2c3c(cccc13)CC2 224640957 RLEASYPOSWAOTO-UHFFFAOYSA-N 347.483 5.691 0 40 EKAB CC(C)Oc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 224974917 DRDXGSVONJAMDC-UHFFFAOYSA-N 345.442 5.322 0 40 EKAB Cc1ccc(CN2CC=C(c3nc4cc(C)cc(C)c4o3)CC2)cc1 226251203 SDPZPAAFMSJCKP-UHFFFAOYSA-N 332.447 5.042 0 40 EKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)o2)cc1 227485589 WGINVKXRFIYRLC-UGKGYDQZSA-N 344.414 5.139 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1nccs1)c1ccc(F)cc1 122000 KSQNNCPFBYVJFP-GOSISDBHSA-N 337.423 5.273 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 364897 MTFSBCMYKAUUDD-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB COc1ccc(-c2nc(Oc3ccccc3)c3ccccc3n2)cc1 544584 HBOUVFOUXVPWHK-UHFFFAOYSA-N 328.371 5.098 0 40 EKAB CSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 559691 ORSBVRULBLZVLX-UHFFFAOYSA-N 340.473 5.093 0 40 EKAB COc1cccc2c(Cc3ccccc3)nc(-c3ccc(C)cc3)nc12 2709048 SJTLXVFAAVQIPN-UHFFFAOYSA-N 340.426 5.205 0 40 EKAB CSCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 3339276 RFYGCDKCNHLIGL-UHFFFAOYSA-N 346.521 5.159 0 40 EKAB C[C@@H](Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1 3378680 KOOCQGJXSOFTBV-GFCCVEGCSA-N 346.402 5.585 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)CC3CCCC3)n2)cc1C 6260875 CGAACIQDIMQMDB-UHFFFAOYSA-N 328.481 5.254 0 40 EKAB O=C(Oc1ccccc1)c1cc(-c2cccs2)nc2ccccc12 6475647 UDAMEYPQTMBTBS-UHFFFAOYSA-N 331.396 5.183 0 40 EKAB Cc1ccc2[nH]c(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2c1 6860165 NGDBGIFMBWVROC-UHFFFAOYSA-N 342.398 5.521 0 40 EKAB Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c2ccccc12 14629533 SPFQIOPPAXMBIN-UHFFFAOYSA-N 337.728 5.887 0 40 EKAB Cc1ccccc1/N=c1\ssc2c1-c1ccccc1NC2(C)C 18210144 AYFATWKMUOZCSR-ZZEZOPTASA-N 338.501 5.678 0 40 EKAB CCc1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 20455241 RCJAPEDOHLQSPT-NRFANRHFSA-N 333.431 5.198 0 40 EKAB C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1 32738205 WJQVQYRFPBEKEA-AWEZNQCLSA-N 345.433 5.072 0 40 EKAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1cnc(Cl)c(Cl)c1 48279716 FTQRRBNMDDBEOW-UHFFFAOYSA-N 349.261 5.105 0 40 EKAB Cc1noc(C)c1CN(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 59578082 KZJTUJXMTCVUGZ-GFCCVEGCSA-N 338.373 5.036 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1 216402398 UHBQFTZEXJOBJC-IBGZPJMESA-N 339.822 5.289 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222693073 QYSHAXXAFPDTHK-HNNXBMFYSA-N 347.911 5.398 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2cccc3ccccc23)cc1 222826401 WVWFXXFEEREBSP-DTQAZKPQSA-N 343.470 5.467 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1Cl 225324673 FGJUHKCXAMDHSL-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB Cc1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225657897 NXMMWWYTDDCJEV-MRXNPFEDSA-N 326.509 5.038 0 40 EKAB CCCCCC[C@H](CCCC)Cc1ccc(Br)cc1 1776010833 BYWBQBBXDFWDPQ-INIZCTEOSA-N 325.334 6.768 0 40 EKAB CSc1nc(SC)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 477609 ZTVBSYMXCQEJOA-SECBINFHSA-N 338.567 5.286 0 40 EKAB S=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCCC1 530631 OGTFTTVFGRCOTQ-UHFFFAOYSA-N 326.248 5.025 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(Br)c1 569023 BOVMFTRRVSBLHX-LBPRGKRZSA-N 332.241 5.215 0 40 EKAB O=C(Nc1ccc(NCc2cccs2)cc1)c1ccccc1Cl 806053 VPYVJHHSYIQMJL-UHFFFAOYSA-N 342.851 5.266 0 40 EKAB ClC1=C(Cl)C(Cl)=C(Cl)C1=Cc1ccc(Cl)cc1 1628209 HKKKANZBUZYLQW-UHFFFAOYSA-N 326.437 6.115 0 40 EKAB CCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 2053289 UTUFSVBDNKQPPP-UHFFFAOYSA-N 340.426 5.809 0 40 EKAB CCCCn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21 3097975 BMVAYUWZOBNOBM-UHFFFAOYSA-N 328.415 5.017 0 40 EKAB CC(C)(C)c1ccc(C2CCC3(CC2)Cc2ccc(O)cc2C3)cc1 3851820 IKSTXNGZGNLZJO-UHFFFAOYSA-N 334.503 6.133 0 40 EKAB biogenic Clc1ccc(Nc2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 4722455 QWZJSVPCARFARW-UHFFFAOYSA-N 347.805 5.801 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1c(Cl)cccc1Cl 5678570 PENGCVSYYIKITR-CMDGGOBGSA-N 326.610 5.299 0 40 EKAB Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1 6747321 OPIZCUBYNKNFOR-UHFFFAOYSA-N 345.851 5.146 0 40 EKAB CC(C)CNCc1c(OCc2ccccc2F)ccc2ccccc12 6883527 IELVCODJESAFFR-UHFFFAOYSA-N 337.438 5.304 0 40 EKAB Clc1ccccc1CNc1nc2ccccc2n1Cc1ccccc1 9355885 QPCFVKKCNYYJTF-UHFFFAOYSA-N 347.849 5.350 0 40 EKAB O=C(OCc1cc(-c2ccccc2)no1)c1c(Cl)cccc1Cl 12810075 UMVXCVWPBSOKQC-UHFFFAOYSA-N 348.185 5.005 0 40 EKAB C[C@@H](CN(C)Cc1c(-c2ccco2)[nH]c2ncccc12)c1ccccc1 19455981 RWYDAPCJGZLPNS-INIZCTEOSA-N 345.446 5.058 0 40 EKAB CCOc1ccccc1CN(CCc1ccccc1)Cc1ccccc1 20159052 GAKJIUAUSHEMFU-UHFFFAOYSA-N 345.486 5.330 0 40 EKAB CCOc1ccccc1NCc1cc2ccc(C)cc2nc1Cl 30289572 ICFFPCPUUYMDHC-UHFFFAOYSA-N 326.827 5.207 0 40 EKAB CCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 33653250 QXFWYLCKNYTTSR-UHFFFAOYSA-N 342.870 5.145 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3ccccn23)c1 35616534 IUJXJLWVFZGDPI-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1C 59351268 KJWWNSMJSDSLHM-QZTJIDSGSA-N 339.479 5.072 0 40 EKAB CCN(CC)c1ccc2c(C)c(-c3cccc(Cl)c3)c(=O)oc2c1 79006586 JNKCSNICDYTHHU-UHFFFAOYSA-N 341.838 5.268 0 40 EKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100857453 DMOLYKQEFOZAPA-OPXVNJCFSA-N 347.458 5.160 0 40 EKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169699909 DMOLYKQEFOZAPA-UCEGJLSESA-N 347.458 5.160 0 40 EKAB O[C@H](c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)oc1ccccc12 226296829 XZIGARFMQICJMF-LJQANCHMSA-N 343.209 5.975 0 40 EKAB CCc1ccccc1NCc1cccc(OCc2ccc(C)cc2)c1 409114507 KGJNYHAUCOBLDN-UHFFFAOYSA-N 331.459 5.749 0 40 EKAB CCCC[C@H](CC)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360766 MJAFJUZOTSOZID-JTQLQIEISA-N 340.307 6.123 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2[C@H](C)CC)cc1 505782 AKVNYOCCIHAZPA-IAGOWNOFSA-N 339.479 5.731 0 40 EKAB COc1ccccc1-c1cc(-c2ccccc2)nc(-c2ccc(C)o2)c1 850915 FZFQLTBFNNNMFE-UHFFFAOYSA-N 341.410 5.993 0 40 EKAB COc1ccc(OCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 1386286 UCIJBZMHEPOCLH-UHFFFAOYSA-N 345.851 5.360 0 40 EKAB CCc1cc(-c2ccccc2)cc(CC)[n+]1Cc1ccc(Cl)cc1 2567081 AADRDAWNXCCWGC-UHFFFAOYSA-N 336.886 5.468 0 40 EKAB O=C(CSC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 3226234 UVUJSSMEKGLZQY-UHFFFAOYSA-N 332.424 5.110 0 40 EKAB Clc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 5547706 JGESMLIVZYQRNK-UHFFFAOYSA-N 348.833 5.436 0 40 EKAB COc1cc(-c2cc(-c3ccccc3)c3ccccc3n2)ccc1O 7847025 DSZFOAYITAFRLK-UHFFFAOYSA-N 327.383 5.283 0 40 EKAB CCCOc1ccc(Br)cc1CNc1ccc(CC)cc1 37212917 RCGPBAWMMUMVRB-UHFFFAOYSA-N 348.284 5.412 0 40 EKAB Cc1ccc(N(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 58313668 ZZKDROHHFQODAB-UHFFFAOYSA-N 342.398 5.080 0 40 EKAB COc1cc(Cl)c(C)cc1NC(=S)Nc1cccc(C(C)C)c1 71760776 KKUQBDAGBOPKTH-UHFFFAOYSA-N 348.899 5.589 0 40 EKAB Cc1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1C 73638110 JEYBYJDCZISLGT-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB CCCCCN(CCCCC)c1cc(Br)ccc1F 95915615 OEDBQOUKTLZPGX-UHFFFAOYSA-N 330.285 5.775 0 40 EKAB C[C@H]1CC2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2=C(O)C1 101885475 UCWKEZUTBRUCLX-FKIZINRSSA-N 339.435 5.987 0 40 EKAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(C)cc1C 218963095 DJGMHLVPHKXEFS-OAQYLSRUSA-N 339.479 5.073 0 40 EKAB CCSc1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 223371763 SBWFNDFGULWVSY-UHFFFAOYSA-N 343.492 5.248 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccccc12 225321868 HINWHEPIBNHBHD-UHFFFAOYSA-N 344.241 5.718 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CCCC)OCC)cc1C 225701096 WOUMPYQIALEGGJ-OAQYLSRUSA-N 349.515 5.406 0 40 EKAB Cc1ccccc1C1(NC(=S)Nc2ccc(Cl)cc2)CCCC1 225844954 ZFXDWFHDBHQNAH-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB O=C(CCC1CCCC1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 408718684 VPLKPFNRRQVUJW-UHFFFAOYSA-N 343.854 6.041 0 40 EKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1Cl 81435 HPKDNBDWXSLROL-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB c1ccc(C(c2ccccc2)c2nc3cccc4cccc([nH]2)c43)cc1 1635889 BAVPNLLVGJCZFG-UHFFFAOYSA-N 334.422 5.896 0 40 EKAB Cc1cc(C)c(C(=O)[C@@H]2Oc3ccccc3[C@H]2c2ccccc2)c(C)c1 1728143 GRVACMBVIMCUDA-ISKFKSNPSA-N 342.438 5.388 0 40 EKAB Cc1ccc(CSc2ncnc3scc(-c4ccccc4)c23)cc1 1911867 XEVGUCNHQIOKQR-UHFFFAOYSA-N 348.496 5.959 0 40 EKAB Fc1ccc([C@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 2347633 LTZNKXAPJRUCOK-UXHICEINSA-N 339.797 5.709 0 40 EKAB CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)c2ccccc21 3369354 VDGOQKCMEZLCCM-VBKFSLOCSA-N 335.790 5.117 0 40 EKAB CSc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 5222728 NPDCBGNRFRUSQJ-UHFFFAOYSA-N 340.473 5.093 0 40 EKAB C[C@H](Nc1ncnc2c1oc1ccccc12)C12CC3CC(CC(C3)C1)C2 6509594 FDGLTZCRXQOKOE-QRYOHXEKSA-N 347.462 5.393 0 40 EKAB C[C@H](c1ccccc1)N(C)C(=O)C(c1ccccc1)c1ccccc1 7037695 WOWBHGKCSAMYBJ-GOSISDBHSA-N 329.443 5.038 0 40 EKAB CC(C)[C@H](NC(=O)c1csc(-c2ccsc2)n1)c1cccs1 8013306 UKHLNUBCZCDIIS-AWEZNQCLSA-N 348.518 5.060 0 40 EKAB CCC[C@H](C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 8188013 MBEJTHHCYOQETP-LBPRGKRZSA-N 342.826 5.523 0 40 EKAB Cc1ccc2oc(C(=O)Nc3ccccc3-c3ccccc3)cc2n1 8798668 GRIYFQUUHBVTRC-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 10336698 OJRMIZZVJDKQQM-UHFFFAOYSA-N 349.396 5.574 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(F)cc1Cl 16221509 NHTBIUIBMUEDOH-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CC[C@H](CNc1cc(C)ccc1C)Oc1ccccc1[C@H](C)CC 19737797 UTGBKWJKNSYDLK-IEBWSBKVSA-N 325.496 6.086 0 40 EKAB Cc1cc(Br)ccc1NCc1ccc(OC(C)C)cc1 35018452 NHYZQXZBMVBVKJ-UHFFFAOYSA-N 334.257 5.157 0 40 EKAB Cc1ccc(N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 82252200 MOVLVPBLZBHUCI-OEAKJJBVSA-N 334.394 5.159 0 40 EKAB O=C(c1ccccc1)[C@H]1N=NC[C@H]1c1ccc(-c2ccccc2)cc1 100478012 DAQAQXWQXZLCOB-SFTDATJTSA-N 326.399 5.155 0 40 EKAB Cc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 106979859 WBFBTZKNZLQERY-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CCOc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 219128036 ZLHQMGRFZHLWBP-UHFFFAOYSA-N 345.442 5.246 0 40 EKAB O=C(CCCSc1ccc(Cl)cc1)NCCC1=CCCCC1 222685334 SFYODPSAJQAYSK-UHFFFAOYSA-N 337.916 5.219 0 40 EKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 174859 UUNVJIDNBYPNLF-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)nc1 372315 KPJIIAHAEJGBKY-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB Clc1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 509299 DULXASQWRDBVSY-UHFFFAOYSA-N 332.794 5.089 0 40 EKAB CC1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 559759 OGDSECKXBUGCPU-UHFFFAOYSA-N 344.458 5.328 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 568789 JJAUJIAJBABBBX-OAHLLOKOSA-N 333.431 5.614 0 40 EKAB O=C(c1ccccc1)[C@@H](Sc1ccc(Cl)cc1)c1ccccc1 2161181 CGODCJFDRZPZFJ-FQEVSTJZSA-N 338.859 6.056 0 40 EKAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C 4104888 BQPVGKNJJQUGFW-LUSYZINYSA-N 344.539 5.763 0 40 EKAB biogenic,in-vitro c1ccc([C@@H]2[C@H]3CCCC[C@]3(N3CCCC3)ON2c2ccccc2)cc1 4671108 SQSXAQLOKCEYPF-ZLNRFVROSA-N 348.490 5.162 0 40 EKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNC(=O)S)CCC[C@@]21C 5732014 NRXKSPXADCTTJA-GIVPXCGWSA-N 345.552 5.460 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 5749617 LTGRVYJNOSMZGP-UHFFFAOYSA-N 328.626 5.516 0 40 EKAB Cc1ccc(Nc2nc(CSc3ccc(C)c(C)c3)cs2)cc1 7718902 FWIQVPNVJLSNAW-UHFFFAOYSA-N 340.517 6.104 0 40 EKAB O=C(NC1CCCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 8007402 YKTLKCSQMJWVFV-UHFFFAOYSA-N 346.430 5.071 0 40 EKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CC(C)C)cc1 13039586 JACJIQLGJIUCPZ-SFHVURJKSA-N 334.507 6.043 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 13774799 JDHKLMCCSWAINP-INIZCTEOSA-N 340.536 5.649 0 40 EKAB Fc1ccccc1-c1c2c(nc3ccc(Cl)cc13)CCCCCC2 23043130 XHNRBSPFJIQZGP-UHFFFAOYSA-N 339.841 6.353 0 40 EKAB O[C@@](/C=C\c1ccccc1)(c1ccccc1)c1nc2ccccc2s1 31793984 LXUNHGPWRBNEMY-SRNWCRMJSA-N 343.451 5.246 0 40 EKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SC2CCCC2)cc1 44085486 GZOYNWZWAMWMHD-UHFFFAOYSA-N 334.488 5.882 0 40 EKAB CCSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 44087664 QZKSBTLKQUKWQK-UHFFFAOYSA-N 348.393 5.670 0 40 EKAB Cc1ccc2cc(CN[C@H](c3cccs3)C(C)C)c(Cl)nc2c1 57364681 FUYDCTKQATYMKD-SFHVURJKSA-N 344.911 5.745 0 40 EKAB FC(F)=C(c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)cc1 66055350 AETIPTNWIBIRGN-UHFFFAOYSA-N 328.308 6.288 0 40 EKAB CN(C)c1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 67321820 PXYFHWWLSLHIMC-UHFFFAOYSA-N 329.856 5.273 0 40 EKAB Fc1cc(Cl)cc(SCc2ccccc2Br)c1 95733345 WKOKNYNJHQATPT-UHFFFAOYSA-N 331.637 5.534 0 40 EKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(O)cc3)C2=C(O)C1 102665072 UJJDZBFBTKMVSG-HXUWFJFHSA-N 334.419 5.264 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2SC(C)C)c1 113959094 JACLCGOCIXHXFI-INIZCTEOSA-N 327.493 5.295 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2SC(C)C)cc1C 219657793 HFLNQEROBFICOW-INIZCTEOSA-N 327.493 5.295 0 40 EKAB O=C(NCC1CCCCC1)c1ccc(CSc2ccccc2)cc1 223394309 WEKLYOWIZAQUEW-UHFFFAOYSA-N 339.504 5.289 0 40 EKAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 408575549 NWVBSNHDYJKBCB-CYBMUJFWSA-N 349.883 5.247 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1OC 409110338 USJHLJQTNSCWRZ-UHFFFAOYSA-N 333.859 5.312 0 40 EKAB CCCC[C@H](CC)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360753 HULCZJJHJGFCNP-JTQLQIEISA-N 340.307 6.123 0 40 EKAB Cc1c(C(=O)C(Cl)(Cl)Cl)sc2ccc(Cl)cc12 575362148 IJJVJSOBTODXEP-UHFFFAOYSA-N 328.047 5.416 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1ccccc1Br 569021 XZIPMNBPFOPRPK-LBPRGKRZSA-N 332.241 5.215 0 40 EKAB FC(F)(F)c1cc(-c2ccccc2)nc(SCc2ccccc2)n1 1099989 UJXCQXFTTDNKTL-UHFFFAOYSA-N 346.377 5.455 0 40 EKAB Cc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CCC3)cc1 1389120 IISDMQLHKDPTKA-JOCHJYFZSA-N 332.447 5.198 0 40 EKAB CC(C)(C)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 1481015 WAMMMKMXNRIVQC-UHFFFAOYSA-N 335.491 5.079 0 40 EKAB CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(-c2ccccc2)cc1 1670153 CGWADWORZKHRCQ-DNQXCXABSA-N 330.471 6.747 0 40 EKAB C[C@H](CC(=O)Nc1nc(-c2cccs2)cs1)c1ccccc1 2664400 VGMRSHBIVDVNSA-GFCCVEGCSA-N 328.462 5.004 0 40 EKAB Fc1ccccc1Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 2679595 OIRAZQIFBPMTMU-UHFFFAOYSA-N 346.430 6.360 0 40 EKAB Fc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1 4725701 JWKKQPYDMQNSOC-RBNVVWFDSA-N 342.417 5.847 0 40 EKAB CCN(CC)c1ccc(NC(=O)Nc2cccc(Cl)c2)c(C)c1 5393274 VFYGAAZQGIMUHY-UHFFFAOYSA-N 331.847 5.139 0 40 EKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2ccccc2o1 5777209 DZHCTNLEVBDIJP-UHFFFAOYSA-N 339.700 5.357 0 40 EKAB Clc1ccc(-c2cc(CSc3cccc(Cl)c3)on2)cc1 5944271 GXNUGCLBXHXRTP-UHFFFAOYSA-N 336.243 5.941 0 40 EKAB CC[C@H](C)c1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1 6049393 UCAFOFKXQUYPBB-ZDUSSCGKSA-N 341.455 5.258 0 40 EKAB Cc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1 6272625 LRRUTGUMJZJNRU-FOCLMDBBSA-N 329.399 5.439 0 40 EKAB CCCCCCNCc1cccc(OC)c1OCc1ccccc1F 7261082 MRSFYIBWHQDZCD-UHFFFAOYSA-N 345.458 5.083 0 40 EKAB CCOc1cc(C=O)c(Sc2ccc(Cl)cc2)cc1OCC 8729780 NHWVTHHYINOQHI-UHFFFAOYSA-N 336.840 5.101 0 40 EKAB C[C@@H]1CCC[C@]2(C1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 12403954 NTDBRNJTVVMTAD-BSLALVQMSA-N 332.447 5.137 0 40 EKAB Fc1ccc(-c2cc(-c3cccs3)cc(-c3ccccc3)n2)cc1 13144542 LTKRJIIWRZTRQQ-UHFFFAOYSA-N 331.415 6.283 0 40 EKAB Clc1cccc(Cl)c1COc1cccc(Br)c1 20298251 QDENFJGGQCNGGS-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CC(C)C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 21835448 PWOXPYKBTHHOHY-QGZVFWFLSA-N 337.797 5.135 0 40 EKAB Brc1ccc(Oc2ccccc2Br)cc1 34734051 RJQLQJZMLISKRJ-UHFFFAOYSA-N 328.003 5.004 0 40 EKAB biogenic,in-vitro CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)c(C)c1 44900372 GVHBLOZQJRGEOO-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)[C@@H]2CCCc3ccccc32)c1 199719549 CUYMXINPOGEPDC-GOSISDBHSA-N 338.451 5.209 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 224648336 UMYFBZAOGDVNCB-ZIAGYGMSSA-N 347.911 5.260 0 40 EKAB CCCCc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225128480 WEASABHPCUSLJQ-IBGZPJMESA-N 346.854 5.066 0 40 EKAB CCOc1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225761374 MITUOIJPJQHWHA-LJQANCHMSA-N 342.508 5.077 0 40 EKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2ccccc2c1 225865827 JYOWOZBYPZZKRW-MRXNPFEDSA-N 345.442 5.125 0 40 EKAB CCOc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1Cl 409114055 IIKPEFZYPVPOPT-UHFFFAOYSA-N 344.669 5.966 0 40 EKAB Fc1ccccc1COc1ccccc1-c1nc2ccccc2s1 409189666 MPFUPXBGMJEEST-UHFFFAOYSA-N 335.403 5.681 0 40 EKAB O=C(Nc1cccc2ccccc12)N[C@@H]1CCCC[C@@H]1Cc1ccco1 494508 JQZFQBRHCLMOBB-YLJYHZDGSA-N 348.446 5.356 0 40 EKAB Cc1cc(O)c(Sc2c(O)cc(C)c(Cl)c2C)c(C)c1Cl 1700228 KUXLZVPJUMXGIS-UHFFFAOYSA-N 343.275 5.789 0 40 EKAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1-c1ccccc1 3427744 HPLMEHIYWJRCJK-UHFFFAOYSA-N 339.797 5.327 0 40 EKAB CCCC[C@H](CC)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12 4620627 MRSPQGSELHNKPV-INIZCTEOSA-N 347.462 5.452 0 40 EKAB CCc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1 4970254 ANJFXBLMWZGEFP-UHFFFAOYSA-N 349.437 5.803 0 40 EKAB CC(C)[C@@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccccc1 4994543 USTOLXCFVDJPMI-YADHBBJMSA-N 335.491 5.474 0 40 EKAB CN(C)P(Cc1ccccc1)(Cc1ccccc1)=Nc1ccccc1 5257737 GCZJWQMBXHLXEA-UHFFFAOYSA-N 348.430 6.396 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc2ccccc2c1 6307110 RCSFPBNCNDQYKL-UHFFFAOYSA-N 339.394 5.884 0 40 EKAB CCSc1ccccc1C(=O)Nc1nc2c(C)cc(C)cc2s1 7572817 KWUMPXUSKDWCEP-UHFFFAOYSA-N 342.489 5.277 0 40 EKAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13774755 LZOIDGBTKONUEM-CQSZACIVSA-N 342.508 5.040 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 14013298 JHPCCBWRWINTFR-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB CCCc1ccc([C@H](C)NC(=S)Nc2ccccc2CC)cc1 17066879 ITINIOXJVOZSGJ-HNNXBMFYSA-N 326.509 5.249 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1C)c1ccc(C)cc1 20047182 QMTDVGSDRHMZGB-VQTJNVASSA-N 339.479 5.037 0 40 EKAB CCSc1ccccc1NC(=O)CCSc1ccc(C)cc1 22511098 LSZQXJVODVCCNI-UHFFFAOYSA-N 331.506 5.228 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 44441366 WAPSCJQOMRIOGI-UHFFFAOYSA-N 342.402 5.182 0 40 EKAB CCc1c(C(=O)Nc2ccccc2-c2ccccc2)[nH]c(C)c1C(C)=O 54864978 FJLXADLELLKCBC-UHFFFAOYSA-N 346.430 5.007 0 40 EKAB Cc1c(C(=O)O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 149439257 YDUVGNZXODKEFQ-UHFFFAOYSA-N 334.202 5.003 0 40 EKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225541718 MGFVKDAEDJMZSJ-UHFFFAOYSA-N 337.463 5.234 0 40 EKAB c1ccc(CSC2(SCc3ccccc3)CCCCC2)cc1 1636935 IXLULFZJRWMCAC-UHFFFAOYSA-N 328.546 6.514 0 40 EKAB O=C(OCc1cccc(Cl)c1)c1sc2ccccc2c1Cl 3282049 WRYLYDCEBDKZML-UHFFFAOYSA-N 337.227 5.565 0 40 EKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658674 VTOFOIYGWNMSTD-UHFFFAOYSA-N 349.434 5.339 0 40 EKAB CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl 6069063 YZHIXLCGPOTQNB-UHFFFAOYSA-N 335.856 5.374 0 40 EKAB investigational CCc1ccc(Cl)c(CC)c1NC(=O)CCc1ccc(OC)cc1 6235978 HOSXCKGFLYBXAP-UHFFFAOYSA-N 345.870 5.045 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 7668954 BBZKHECLBNBJLI-UHFFFAOYSA-N 339.523 6.088 0 40 EKAB c1ccc2oc(CN3CCCC[C@@H]3c3nc4ccccc4s3)nc2c1 8005163 GXVZOGNZUSUTQF-MRXNPFEDSA-N 349.459 5.165 0 40 EKAB CC(C)C(NC(=O)c1ccccc1SCc1ccccc1)C(C)C 10337643 ZMDKHHQXFJPNFC-UHFFFAOYSA-N 341.520 5.389 0 40 EKAB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccs1)CC(O)=N2 13550849 CVJOZCQYOQIZCX-ZDUSSCGKSA-N 343.839 5.019 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)cc1 13931690 YVOALCZXJKEULY-MRXNPFEDSA-N 336.863 5.225 0 40 EKAB Cc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1 19864019 CWBHEIWNECIDTB-JOCHJYFZSA-N 327.431 5.381 0 40 EKAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1c(Cl)cccc1Cl 49546350 WRIAOLYKIFECKW-VIFPVBQESA-N 338.238 5.069 0 40 EKAB Cc1cccc(-c2cc(-c3nc4ccccc4n3C)c3ccccc3n2)c1 95116619 BHGXWKACNDQUHQ-UHFFFAOYSA-N 349.437 5.764 0 40 EKAB C[C@H]1CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C2=C(O)C1 102602621 XYEDVGVPJYMUIT-BBATYDOGSA-N 335.432 5.015 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(C)C 222955935 WEJFWGRZLLMSDS-IBGZPJMESA-N 325.452 5.223 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Sc1ccc(Cl)cc1 224473865 IUZNNHSIXJWPNX-YOEHRIQHSA-N 341.948 5.543 0 40 EKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1C 225759788 SOVNVMBXAAWBGU-IBGZPJMESA-N 326.509 5.296 0 40 EKAB Fc1cccc(-c2ccc([C@@H]3CCCCN3Cc3ccncc3)cn2)c1 257249468 JIMVZTIPXPTCLI-QFIPXVFZSA-N 347.437 5.010 0 40 EKAB CCOC(=O)c1nc2cc3n(c(CC(C)C)c-2c1C)[C@H](C)C(C)=C3C 53276 RHNSCIPUELSBMP-OAHLLOKOSA-N 340.467 5.040 0 40 EKAB FC(F)(F)C1=Nc2ccccc2N=C(c2ccc3ccccc3c2)C1 340547 QCZHANWHBXDBDX-UHFFFAOYSA-N 338.332 5.999 0 40 EKAB COc1ccc(C(=O)N2c3ccccc3C=Cc3ccccc32)cc1 348197 ZHIOISWUDQBCEJ-UHFFFAOYSA-N 327.383 5.158 0 40 EKAB C1=C(c2cccs2)OC(c2cccs2)=CC1c1cccs1 847472 FHHUWILCVDEZMK-UHFFFAOYSA-N 328.483 6.067 0 40 EKAB O=C1c2ccccc2CC[C@H]1[C@@H](Sc1ccccc1)c1ccco1 1448910 DNKBZUOPOLZAOQ-WIYYLYMNSA-N 334.440 5.558 0 40 EKAB Oc1ccc(C2(c3ccc(O)c(Cl)c3)C[C@@H]3CC[C@H]2C3)cc1Cl 1574078 XFWTYSLRYZAOMG-NEPJUHHUSA-N 349.257 5.511 0 40 EKAB CCOC(=O)c1c(C)oc2ccc(OC/C=C/c3ccccc3)cc12 1797698 LBOOQEPIEGDRES-JXMROGBWSA-N 336.387 5.010 0 40 EKAB Cc1ccc2oc(-c3cc(=O)oc4ccc(C(C)C)cc34)c(C)c2c1 2102872 IWTWDGQLJYLRDC-UHFFFAOYSA-N 332.399 5.946 0 40 EKAB biogenic O=C(CCc1cccc(Br)c1)c1ccc(F)cc1Cl 2516728 UTFCDXMZFUHIOB-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB Cc1ccc(NCP(CNc2ccc(C)cc2)c2ccccc2)cc1 3110392 VHQWTQYKUJJRTB-UHFFFAOYSA-N 348.430 5.550 0 40 EKAB O=C(OCc1ccccc1Cl)c1ccc(-c2ccc(O)cc2)cc1 3417218 MROOYFMYWFCMTG-UHFFFAOYSA-N 338.790 5.070 0 40 EKAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1CCCCCC1 3423561 DOXMNOOUSBGBOS-UHFFFAOYSA-N 346.474 5.147 0 40 EKAB CSc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 3434570 GMTAZPCIZUDOKY-UHFFFAOYSA-N 326.343 5.071 0 40 EKAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)o1 4539848 FZAXODRQJOVCAE-ZWNOBZJWSA-N 338.234 5.281 0 40 EKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccco1 5685203 MBXNNEHZUFZSNH-UHFFFAOYSA-N 346.411 5.322 0 40 EKAB Cc1cc(C)cc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 6188766 LDSFYVMLEFHDLQ-CJLVFECKSA-N 327.427 5.483 0 40 EKAB Clc1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1Cl 6787195 FOYYMBCHBJLCRC-UHFFFAOYSA-N 335.061 5.590 0 40 EKAB O=C(CSc1ccccc1)Nc1ccccc1Cc1ccccc1 6790542 OFZCDVVSROSHFO-UHFFFAOYSA-N 333.456 5.008 0 40 EKAB CC(=O)c1cn(CCCOc2ccc(Cl)c(C)c2)c2ccccc12 6963762 BEJVIFIHRJPJGA-UHFFFAOYSA-N 341.838 5.275 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Cl)cc1 8586633 JWRINJHUPVRHNN-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl 9064400 JNCWSNUKSLQBLY-OAHLLOKOSA-N 342.870 5.280 0 40 EKAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)cc1Cl 12934313 QJDNDXCHPFHQEP-UHFFFAOYSA-N 340.785 5.102 0 40 EKAB CCCCNCc1cn(Cc2ccccc2Cl)c2ccccc12 28427956 DKTSXVCVRVVNFH-UHFFFAOYSA-N 326.871 5.233 0 40 EKAB 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CCCC1CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1 79185636 FQZFDALKYRQQTE-UHFFFAOYSA-N 348.521 7.310 0 40 EKAB C[C@@H](Nc1nc(-c2cccs2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102325367 HHFISKWXWWZFLZ-WBTNSWJXSA-N 349.503 5.595 0 40 EKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225523916 MYBAVOJATIRUAC-UHFFFAOYSA-N 343.854 5.108 0 40 EKAB CC[C@@H](C(=O)c1cc(OC(F)(F)F)ccc1Cl)c1ccccc1 575361487 KDQAODJPPYOUSI-CYBMUJFWSA-N 342.744 5.615 0 40 EKAB Cc1cc2c(cc1C)CSC(c1ccc(N(C)C)cc1)SC2 2158998 IWNKLHSWSXTVKF-UHFFFAOYSA-N 329.534 5.548 0 40 EKAB Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1 2521611 OPKYDBFRKPQCBS-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic,in-vitro CCOc1cc(C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC 5980209 JNOJJHOCPIYEOI-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB CCCCCNCc1cc(Cl)ccc1OCc1ccccc1F 7261272 XBYULQUWIGONDY-UHFFFAOYSA-N 335.850 5.338 0 40 EKAB CCCCNCc1ccc(OCc2ccccc2Cl)c(OCC)c1 7261692 JQVQACKABLRQEP-UHFFFAOYSA-N 347.886 5.207 0 40 EKAB CCCCCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1 7610397 HFJRJCXJBRQNRP-UHFFFAOYSA-N 325.452 5.379 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(Cl)cc3)o2)cc1 11690412 LYWUEVHJEZYGFR-UHFFFAOYSA-N 339.822 5.480 0 40 EKAB Cc1cc2occ(CC(=O)Nc3c(C)cccc3C(C)C)c2cc1C 12786123 IFPVZVYSOUKPSE-UHFFFAOYSA-N 335.447 5.663 0 40 EKAB Clc1ccc(OC[C@@H](Cn2ccnc2)c2ccc(Cl)cc2)cc1 12948616 VBYLRNGSDRMLGR-OAHLLOKOSA-N 347.245 5.053 0 40 EKAB CCOC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 19075532 ZRQKGWKJCTUIRQ-UHFFFAOYSA-N 332.399 5.109 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1C 22538015 KVNYZQJNVMRGAT-CYBMUJFWSA-N 336.262 5.410 0 40 EKAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)oc2c1 27992847 HUCYZIBLZVBJLS-UHFFFAOYSA-N 347.336 5.629 0 40 EKAB Cc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c(C)c1 40210705 VTMSDFIHALIEMQ-UHFFFAOYSA-N 330.406 5.508 0 40 EKAB FC(F)(F)c1cc(Nc2ccc(-c3ccccc3)nn2)ccc1Cl 41195247 GDVXYZOGPYRITN-UHFFFAOYSA-N 349.743 5.559 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c(C)c1 64982926 ZZRQLYZAWWXYJT-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB Clc1ccc(Cl)c(OCc2ccccc2Br)c1 70131388 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199721769 SSDPQKVGICCLNR-UHFFFAOYSA-N 346.736 5.851 0 40 EKAB CC[C@H](NC(=O)c1ccccc1Cl)c1ccc2c(c1)CCCC2 223012380 YIFAGWVPXWGWFR-IBGZPJMESA-N 327.855 5.100 0 40 EKAB CCCCn1c(C)c(CNCCC)c2cc(O[C@@H](C)CC)ccc21 223767912 BSKYQDWFTOOJIN-INIZCTEOSA-N 330.516 5.427 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc(Cl)c2C)c1 228956466 QITBZPUXQHNYBE-UHFFFAOYSA-N 332.831 5.425 0 40 EKAB O=C(O)c1cc(-c2ccc(-c3cccc(Cl)c3)o2)nc2ccccc12 75878 ZMIVOSSFXNTWGF-UHFFFAOYSA-N 349.773 5.513 0 40 EKAB Cc1cc(Oc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2O)n1 193360 ROOVOCBCZFVRQI-UHFFFAOYSA-N 334.419 5.247 0 40 EKAB O=C(CSc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 1400556 SMBLUMYNIRAHRH-UHFFFAOYSA-N 346.666 5.378 0 40 EKAB CCCCCn1c(COc2cccc3ccccc23)nc2ccccc21 2695646 GRYASRWYQDNVAX-UHFFFAOYSA-N 344.458 5.959 0 40 EKAB Cc1ccc(Nc2c(-c3cccc(Cl)c3)nc3ccccn23)cc1 3911643 RDOOZVOBNWTZOY-UHFFFAOYSA-N 333.822 5.707 0 40 EKAB CCCCCCc1ccc2c(C(=O)CCCCC)ccc(O)c2n1 5393194 FOWFPSRKRQOJAK-UHFFFAOYSA-N 327.468 5.826 0 40 EKAB CCc1ccc2occ(CC(=O)Nc3ccc(C)c(Cl)c3)c2c1 6809756 NHKUBSQQYVTBLD-UHFFFAOYSA-N 327.811 5.138 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)c(C)c1 13931372 KVUMDXCHRNBVBA-GFCCVEGCSA-N 336.863 5.144 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc(C)c1Cl 14398751 WSSNLNZIWGBCIM-HNNXBMFYSA-N 345.870 5.486 0 40 EKAB CSc1ccc(COC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 16248756 ZOIIVTWHEFOSKW-UHFFFAOYSA-N 342.247 5.464 0 40 EKAB CC(C)Sc1ncccc1C(=O)Nc1ccc(Cl)c(Cl)c1 32933504 FXVOGXHGINBOIU-UHFFFAOYSA-N 341.263 5.141 0 40 EKAB CCCC[C@@H](C/C=C\C=C\CCC[C@@H](C)O)c1ccccc1C(=O)O 33955889 NYDNWAYCRJADHT-VIQIBXFBSA-N 344.495 5.712 0 40 EKAB CCN(C(=O)c1cc2ccccc2n1Cc1ccccc1)C1CCCC1 58427486 PJWUHIDHKHGOTN-UHFFFAOYSA-N 346.474 5.094 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1occc1-c1ccccc1 70719414 LKIADFYRMDMAQP-UHFFFAOYSA-N 346.411 5.322 0 40 EKAB CCc1ccc([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 78458668 QJJFCPITSDRDKL-SFHVURJKSA-N 343.470 5.336 0 40 EKAB CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1 104748027 FXRHXRDCVQLOSA-BPAWZDJUSA-N 333.903 5.021 0 40 EKAB Fc1ccc(COc2cccc(CNc3ccc(Cl)cc3)c2)cc1 107026949 BTNRFVGRJBIWIK-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB O=C(Nc1cccs1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206881248 JWPXEDKLIHRBGV-AWEZNQCLSA-N 334.872 5.203 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 223214030 VSWSSVPVERSVNB-QGZVFWFLSA-N 339.479 5.648 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225705085 OCEGTGIQEUMEPP-NRFANRHFSA-N 349.515 5.405 0 40 EKAB CCC(CC)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225800907 BDZWLSOGTOQBCR-UHFFFAOYSA-N 344.549 5.454 0 40 EKAB C[C@H](CC(=O)c1cccc(OC(F)(F)C(F)F)c1)CC(C)(C)C 575360018 BPEGEMLISAOIOQ-LLVKDONJSA-N 334.353 5.568 0 40 EKAB Cc1nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2s1 479780 SCBRBEHWZOLYBU-UHFFFAOYSA-N 333.416 5.402 0 40 EKAB Cc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1 481245 JDHABTWJQNMEMQ-UHFFFAOYSA-N 335.410 5.525 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C 492097 JUVSKEQTVCGJJA-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 514888 BNHSQYHKZPWXNW-NTEUORMPSA-N 348.490 5.058 0 40 EKAB Cc1ccccc1-c1nc2nc3ccccc3nc2n1C1CCCC1 545126 ISYYKVSJYWLNKX-UHFFFAOYSA-N 328.419 5.070 0 40 EKAB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 566966 XESKFDGDCQBUQD-HNNXBMFYSA-N 330.383 5.229 0 40 EKAB O=C(Nc1ccccc1N1CCCCC1)c1cccc2ccccc12 569754 RJFNTGCFZVZRAA-UHFFFAOYSA-N 330.431 5.082 0 40 EKAB Cc1nc(-c2ccccc2)sc1-c1csc(-c2ccccc2)n1 1390119 LKCPPVSFLFFADR-UHFFFAOYSA-N 334.469 5.909 0 40 EKAB CCCCN[C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 1664846 QNOWTNZTIJIKSZ-ROUUACIJSA-N 338.278 5.158 0 40 EKAB Cc1ccc2c(c1)S/C(=C1\Sc3ccc(C)cc3S1)S2 2072668 IAXBJNXWXGXFCD-FOCLMDBBSA-N 332.540 6.526 0 40 EKAB CC1(C)COC(CCCC(=O)c2ccccc2-c2ccccc2)OC1 2518134 ULUCWRVAIQSFEA-UHFFFAOYSA-N 338.447 5.106 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2o1 3486503 MFHRYUYOINTZLE-UHFFFAOYSA-N 327.383 5.276 0 40 EKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2Cl)N3)C1 4545382 MHJDMAARMBFEJA-HWPZZCPQSA-N 346.883 5.345 0 40 EKAB CC(C)CC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 4554934 MIKLGDUMKYEGOJ-UHFFFAOYSA-N 344.867 5.601 0 40 EKAB O=C(NC1CCCCC1)c1oc2ccccc2c1COc1ccccc1 5557866 CWQJHNLSRZCBSY-UHFFFAOYSA-N 349.430 5.074 0 40 EKAB CCc1ccccc1NC(=O)c1ccccc1OCc1ccccc1 7724250 XYRZDTKTQYZUHS-UHFFFAOYSA-N 331.415 5.080 0 40 EKAB CCCCn1c(NCc2cccc3ccccc23)nc2ccccc21 13510987 UDHABFXZOIZQAY-UHFFFAOYSA-N 329.447 5.602 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13774726 LYOKAXBKHWTGTF-HNNXBMFYSA-N 326.509 5.340 0 40 EKAB CC(C)(C)Sc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72217351 LKIHMVDUKUHZFG-GOSISDBHSA-N 326.509 5.309 0 40 EKAB C[C@@H](N[C@H](c1ccccc1)c1ccccn1)c1cnc2ccsc2c1 95419298 SLQBXBFSLZOEOU-QVKFZJNVSA-N 345.471 5.132 0 40 EKAB CCCO[C@](C)(CCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225740525 VLUHJQVPXKOSPU-HXUWFJFHSA-N 335.488 5.015 0 40 EKAB S=C(Nc1cccc(Cl)c1)NC1(c2ccccc2)CCCC1 225844424 OZIHUOYRWNSTRV-UHFFFAOYSA-N 330.884 5.096 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCCCC(=O)OC 255191559 ABGHYAFHPINIHF-XQZPKBTBSA-N 346.555 7.085 0 40 EKAB O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccccc1 409314032 QEBIQCMFLWZYSE-AQTBWJFISA-N 331.396 5.081 0 40 EKAB CC(C)c1c(-c2ccccc2)[nH]c2cccc(C(F)(F)F)c2c1=O 685938359 JNPWVBIVZYZDOG-UHFFFAOYSA-N 331.337 5.337 0 40 EKAB COc1ccccc1Oc1nnc(-c2ccc(C)cc2)c2ccccc12 38244 RLJKMXWALDGBID-UHFFFAOYSA-N 342.398 5.406 0 40 EKAB O=C(CCc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 138881 CIEWGSIPGPCPGK-UHFFFAOYSA-N 342.398 5.066 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 1752675 YIMJBZVXGDNYHX-UHFFFAOYSA-N 348.246 5.368 0 40 EKAB CCC(CC)c1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 2734613 SMPFAJSDMRWCJR-UHFFFAOYSA-N 344.267 5.001 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc(Cl)cc1 3342957 QMTAKOOTGHZCPD-UHFFFAOYSA-N 330.598 5.396 0 40 EKAB C[C@]12CC[C@]3(CS3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 4027524 NHSADEZTTCEMTD-SYBPFIFISA-N 334.569 5.266 0 40 EKAB biogenic CCOc1ccc(Oc2ccccc2NC(=O)Nc2ccccc2)cc1 6938481 JWSIRVSPOWKERY-UHFFFAOYSA-N 348.402 5.522 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2cccc(C)c2)c2ccccc2)cc1 7558035 AONGCGMOFKTZKU-OAQYLSRUSA-N 346.499 5.379 0 40 EKAB CC(C)c1ccc([C@@H]2CC3=Nc4ccccc4N=CC3=C(O)C2)cc1 18222455 BPJUTPSUIWZYDH-QGZVFWFLSA-N 330.431 5.988 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C)cc(C)cc1C 20489320 MGDYKEOJWURKIP-KRWDZBQOSA-N 331.843 5.061 0 40 EKAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 30752799 PNMNDBUFWPGPPK-INIZCTEOSA-N 341.451 5.003 0 40 EKAB CC(=O)c1ccc(-n2cc(-c3ccccc3)cc2-c2ccccc2)cc1 51330204 OLXNSHPFGPYREK-UHFFFAOYSA-N 337.422 6.014 0 40 EKAB Fc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 58197921 WPHNGEAHBRYVKQ-UHFFFAOYSA-N 339.222 6.000 0 40 EKAB CCOc1ccc(Br)cc1CNc1ccc(C)c(C)c1 106956976 XXLWEGASUXQPRG-UHFFFAOYSA-N 334.257 5.077 0 40 EKAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(F)F 107952699 BXCSOLBCLYRKBM-UHFFFAOYSA-N 327.783 5.008 0 40 EKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225502951 PWOBXPSETBATBJ-QGZVFWFLSA-N 337.463 5.314 0 40 EKAB O=C(/C=C/c1c(Cl)cccc1Cl)Nc1nc2ccccc2s1 147113 BBUNIHIQDODVQY-CMDGGOBGSA-N 349.242 5.255 0 40 EKAB COc1ccc(C2=C[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 207485 TVVHDBXVWHQOSZ-HXUWFJFHSA-N 332.374 5.400 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 505812 BVMDGLYORMRGAS-MRXNPFEDSA-N 339.479 5.515 0 40 EKAB COc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1 1254694 JAKHGCFZHULVJW-UHFFFAOYSA-N 345.377 5.188 0 40 EKAB Clc1ccc(-c2nc(OCc3ccccc3)c3ccccc3n2)cc1 1823465 CVVJUHDZPHBIQQ-UHFFFAOYSA-N 346.817 5.529 0 40 EKAB c1ccc(-c2ccc(Oc3ncnc4c3oc3ccccc34)cc2)cc1 3367761 KTCCOSWDTIFCLP-UHFFFAOYSA-N 338.366 5.835 0 40 EKAB CC1(C)CC(=O)c2c(nc(-c3ccccc3)c3[nH]c4ccccc4c23)C1 5902946 QFGBKAVSRJJSRX-UHFFFAOYSA-N 340.426 5.538 0 40 EKAB biogenic Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1 6254090 KVRIKSNHDSFVQJ-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB CC(C)Oc1ccc(/C=C/C(=O)NC2CCC(C(C)(C)C)CC2)cc1 6389234 PEDLLXWOKLJZGF-OVCLIPMQSA-N 343.511 5.208 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc2ccccc2c1 11038710 YVBIJTVCPOFLKM-CQSZACIVSA-N 338.838 5.241 0 40 EKAB Cc1cccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 12783265 MEDVAQOERJUNFR-SFHVURJKSA-N 340.423 5.107 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc2ccccc2s1 18699932 HVUBDUOFMOJHIE-UHFFFAOYSA-N 336.441 5.277 0 40 EKAB CCOc1ccc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 24549592 DXIFYYXTYOHRMJ-UHFFFAOYSA-N 348.398 5.030 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(C)cc1C 219314392 PZXCDYWYCFYWQF-WOJBJXKFSA-N 339.479 5.037 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 225321675 IGEQMHZMGYOFGT-UHFFFAOYSA-N 328.626 5.218 0 40 EKAB CC(C)C[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccccc1 225493947 ZETHRJWPFDQSCB-QGZVFWFLSA-N 334.435 5.039 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C 225674210 ZBQQEDPGUIJPEN-OAQYLSRUSA-N 347.499 5.016 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225746169 IUZBEGYHMUPTQW-HXUWFJFHSA-N 335.488 5.096 0 40 EKAB Oc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1Cl 408610613 QQAQJJRVMJLHAJ-UHFFFAOYSA-N 337.033 5.618 0 40 EKAB Cc1nc2ccc(NC(=O)Nc3cccc4ccccc34)cc2s1 479779 PFWHIGBFFLXKRR-UHFFFAOYSA-N 333.416 5.402 0 40 EKAB CC(C)=CCC/C(C)=C/COC(=O)N(c1ccccc1)c1ccccc1 1736623 AKUVQFAHRFVCGX-LVZFUZTISA-N 349.474 6.654 0 40 EKAB Cc1ccc(Cl)c(NC(=O)c2c(Cl)cccc2Cl)c1Cl 6922735 CKZQJKATOQHPRT-UHFFFAOYSA-N 349.044 5.861 0 40 EKAB O=C(c1c[nH]c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 7279087 ALVUGXAPJHXTMY-OAQYLSRUSA-N 326.399 5.204 0 40 EKAB CC[C@@H](C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8326017 ZXQQQZKOOMMFSC-CYBMUJFWSA-N 338.278 5.461 0 40 EKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc2c1 9141093 AMYHCBFEUZTOCJ-UHFFFAOYSA-N 336.435 5.603 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 10331360 PKWGBLNYAOWDGI-UHFFFAOYSA-N 349.396 5.574 0 40 EKAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](c2ccccc2)S1 15084844 WIPPZGVXFAUTOB-SFHVURJKSA-N 337.423 5.206 0 40 EKAB CCOc1cccc(CNc2cccc(OCc3ccccc3)c2)c1 19738473 XESXGDXMJGQKRF-UHFFFAOYSA-N 333.431 5.276 0 40 EKAB CC(C)CC[C@@H](CC(=O)Nc1nccs1)c1ccc(Cl)cc1 27579132 WPKWBRQMPCLGSQ-AWEZNQCLSA-N 336.888 5.345 0 40 EKAB CCCCC1CCC(C(=O)Nc2cc(-c3ccc(F)cc3)no2)CC1 27990017 YKXSONUXAZJPGK-UHFFFAOYSA-N 344.430 5.416 0 40 EKAB Cc1cccc(Cl)c1NC(=S)Nc1cccc(Cl)c1F 71760642 MTWDRMNEQIHFHT-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1C 223499189 JULODWPKQCDJOQ-IBGZPJMESA-N 335.491 5.301 0 40 EKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCCCC1 225657976 HOXISJWFRVFXDM-KRWDZBQOSA-N 347.499 5.240 0 40 EKAB Cc1cccc(NC(=S)NCCCc2cccc3ccccc23)c1 225807942 YSRAWDFRNXMYIY-UHFFFAOYSA-N 334.488 5.067 0 40 EKAB Cc1cc(Nc2ccc(Cl)cc2Cl)nc(-c2ccccc2O)n1 1299529 GTIIIXPXYPUDRQ-UHFFFAOYSA-N 346.217 5.208 0 40 EKAB Cc1cc2sc(NC(=O)C(C)(C)c3ccccc3)nc2cc1Cl 3169569 LBORKWMTUKYNJD-UHFFFAOYSA-N 344.867 5.174 0 40 EKAB C/C(=C\C=C\c1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 3845761 QISFQSCEYMPVBC-GFOCZVMNSA-N 326.480 5.650 0 40 EKAB CSc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 4517663 QQFRHDJXBPVJET-UHFFFAOYSA-N 335.428 5.453 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2C)c1 5750587 MWZBUZJWKNRTSF-UHFFFAOYSA-N 331.843 5.098 0 40 EKAB O=C(Cc1cccc2ccccc12)OCc1c(Cl)cccc1Cl 6115795 FHGHLQUEXPRNOG-UHFFFAOYSA-N 345.225 5.433 0 40 EKAB C[C@@H](c1ccccc1)N(C)C(=O)C(c1ccccc1)c1ccccc1 7037694 WOWBHGKCSAMYBJ-SFHVURJKSA-N 329.443 5.038 0 40 EKAB CCCOc1ccccc1Nc1nc(C(F)(F)F)nc2ccccc12 7989383 BRENSLULBZOZNB-UHFFFAOYSA-N 347.340 5.181 0 40 EKAB CCOc1cc(/C=C/c2nc3ccccc3o2)cc(Cl)c1OC 12809494 BVORZFPMNFKQEP-CMDGGOBGSA-N 329.783 5.059 0 40 EKAB CCCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 20158450 KMCBAZAVZVPFHB-UHFFFAOYSA-N 340.448 5.188 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1c(C)cccc1C 44904404 YNYDTERHZJLGMX-IBGZPJMESA-N 333.431 5.253 0 40 EKAB CC(C)N(c1ncccc1[C@@H]1CCCN1Cc1ccccc1)C(C)C 72213005 QDZJTUOTZWVBAZ-NRFANRHFSA-N 337.511 5.042 0 40 EKAB C[C@H](N[C@H](c1ccccc1)c1ccccn1)c1cnc2ccsc2c1 95419297 SLQBXBFSLZOEOU-YCRPNKLZSA-N 345.471 5.132 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223017567 XKEIPCJVHBHLRJ-GOSISDBHSA-N 345.870 5.315 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2c(C)cccc2C)c1 225679421 QWBTVYFAASFBFC-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1C 225713782 SXXNGGMRVZEIIU-QGZVFWFLSA-N 332.900 5.395 0 40 EKAB CCc1ccc2oc(-c3ccc(OCc4ccc(C)cc4)cc3)nc2c1 226295008 VKQQLMRLVRWDQM-UHFFFAOYSA-N 343.426 5.945 0 40 EKAB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)[C@H](C)c1ccc(OC)cc1 248247905 HRTJXPLKDGPKLQ-URZJWIJPSA-N 326.480 6.027 0 40 EKAB in-vitro Cc1ccc(-c2[nH]c(=Nc3ccc(C)c(Cl)c3)sc2C)c(C)c1 409040585 GWDBWBOFUHSZLI-UHFFFAOYSA-N 342.895 5.863 0 40 EKAB CCc1cc2ccc(C)cc2nc1SCC(=O)c1ccc(F)cc1 413581 XPRFESTZOWYTAI-UHFFFAOYSA-N 339.435 5.220 0 40 EKAB Cc1cccc2nc(-c3ccsc3)c(Nc3ccc(C(C)C)cc3)n12 427517 RYPHSIFYTXHDNK-UHFFFAOYSA-N 347.487 6.238 0 40 EKAB CCN(CC)C1=NC=CC(c2ccccc2)=C[C@H]1Cc1ccccc1 1020101 NFIPWGKWVMOVFY-JOCHJYFZSA-N 330.475 5.197 0 40 EKAB O=C1c2c(ccc3c2CCCC3)C[C@H]1Cc1ccc2c(c1)CCCC2 1645346 NSUADTNWTVTKHX-OAQYLSRUSA-N 330.471 5.042 0 40 EKAB O=C(Oc1ccc(Cl)c2ccccc12)c1cccc(OC(F)F)c1 3338952 MFWVUQPRAGBVAW-UHFFFAOYSA-N 348.732 5.314 0 40 EKAB FC(F)(F)c1cccc(OCCCSc2ccc(Cl)cc2)c1 3470127 RWYQUPRCHGOFQN-UHFFFAOYSA-N 346.801 5.920 0 40 EKAB Oc1ccccc1-c1csc(Nc2ccc(Br)cc2)n1 4740068 FIECTGIOOQZCRW-UHFFFAOYSA-N 347.237 5.022 0 40 EKAB Cc1cc(Nc2ccc(C)c(C)c2)nc(Nc2ccc(C)c(C)c2)n1 5003511 WNAHRPDSSWZFKM-UHFFFAOYSA-N 332.451 5.506 0 40 EKAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(C)cc1 5518000 PLWMRKPUBVGBNL-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB CCCCCOc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 5783123 HJBZLUCEBQDOLY-HNNXBMFYSA-N 342.435 5.145 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1C 9141814 FRDCFRCCLYJRHM-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB Cc1ccc(-c2csc3ncnc(Sc4ccccn4)c23)cc1 12550309 AFWHNYGXRCEVED-UHFFFAOYSA-N 335.457 5.213 0 40 EKAB O=C(Nc1ccccc1)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 12735248 MTLNUUOFZGHHSM-HXUWFJFHSA-N 348.471 5.148 0 40 EKAB CSc1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 13468776 OPZGELKPYPXCJQ-UHFFFAOYSA-N 342.411 5.236 0 40 EKAB Cc1ccc(SCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13668611 QNQUOHCKUMUABX-INIZCTEOSA-N 341.520 5.262 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)cc1 14398208 POMYYZWFBSZJDJ-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2oc3ccccc3c2c1 14906441 KOWODWVZGJOHDG-UHFFFAOYSA-N 340.382 5.249 0 40 EKAB CCc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1 27793698 CMYYNSCTUQMBHX-UHFFFAOYSA-N 327.474 5.219 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2ccccc2c1 30754648 QHPVVZHAZNIQTN-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 44899699 BXDVEBIEECKABF-HXUWFJFHSA-N 339.479 5.224 0 40 EKAB CCCCC(=O)NCC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100845916 XVFTUHVIFZKMDE-NAMINWQUSA-N 339.523 5.139 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 224473759 IUZNNHSIXJWPNX-WMLDXEAASA-N 341.948 5.543 0 40 EKAB CCCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OCC 409131531 JQSDYVRGLMVNPO-UHFFFAOYSA-N 347.886 5.756 0 40 EKAB Clc1ccc2oc(-c3cccnc3Sc3ccccc3)nc2c1 1391980 RJRXEYYAVOUUQZ-UHFFFAOYSA-N 338.819 5.694 0 40 EKAB CC(=O)c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 1447930 UEPCXLMLWUYULZ-UHFFFAOYSA-N 329.610 5.428 0 40 EKAB biogenic Clc1cccc(CSc2nnc(NC3CCCCC3)s2)c1 3339824 NKUPZKVMYVKNPB-UHFFFAOYSA-N 339.917 5.228 0 40 EKAB COc1ccc(-c2csc(NC(=O)CCC3CCCCC3)n2)cc1 3458533 HEBKRLJFVAYJOE-UHFFFAOYSA-N 344.480 5.118 0 40 EKAB Cc1c([C@H]2[C@H](CCN)C2(C)C)c2ccccc2n1Cc1ccccc1 5484703 AWKVKJBLCLOXEC-SIKLNZKXSA-N 332.491 5.086 0 40 EKAB CC(C)(C)c1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc1 5937689 ADWILNONPVHNGZ-JLHYYAGUSA-N 331.415 5.401 0 40 EKAB CC(C)c1ccccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1 6214120 QHYWFTYJIYAMBM-UHFFFAOYSA-N 325.452 5.125 0 40 EKAB CC(C)c1ccc(NC(=S)N[C@H]2CCSc3ccccc32)cc1 7143821 GXOIVYTYVAXQEO-KRWDZBQOSA-N 342.533 5.334 0 40 EKAB Clc1cc(CNC2CCCCC2)ccc1OCc1ccccc1 10436517 GXIUJYBLDWLTSL-UHFFFAOYSA-N 329.871 5.341 0 40 EKAB CC(C)Oc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1 11055881 XNKDPQODDUPWBV-HNNXBMFYSA-N 341.476 5.005 0 40 EKAB COc1cc(C)c(/C=C/C(C)=C\C=C/C(C)=C\C(=O)O)c(C)c1C 11676998 IHUNBGSDBOWDMA-DVBWTUNVSA-N 326.436 5.167 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 13632890 HFHJJAQGDZKCAV-LULHVWEPSA-N 325.427 5.014 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N1[C@H]2CCCC[C@H]2[C@H]2CCCC[C@@H]21 16428308 YSCXRXOBOHVHEX-MHORFTMASA-N 332.875 5.305 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20482939 WDHJXRHVUQWCJT-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB Cc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 38755288 IKQMPIUDZMTING-UHFFFAOYSA-N 347.483 5.469 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 59351495 LXEFQHKDMFSZJQ-ZWKOTPCHSA-N 347.458 5.101 0 40 EKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC/C=C/C(=O)O 64219886 WAPCLRDXPFZYSU-RQLYAOHJSA-N 328.496 6.549 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 64982238 MRMIOZHJLOZVLQ-HNNXBMFYSA-N 345.870 5.397 0 40 EKAB Clc1cccc(OCc2cccc(Br)c2)c1Cl 70136100 BSGOYLWSDIBPTH-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB Cc1ccc(C)c(-c2nc3cc(C)c(C)c(Br)c3o2)c1 73639628 ZDWHVGURXQBZCO-UHFFFAOYSA-N 330.225 5.491 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C)c1ccc(C)cc1C 219314423 PZXCDYWYCFYWQF-VQTJNVASSA-N 339.479 5.037 0 40 EKAB CCCCc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225129265 XSLDJIMSGMPLRK-JOCHJYFZSA-N 348.442 5.257 0 40 EKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616115 WUPIMZHJIFECQA-UHFFFAOYSA-N 349.515 5.200 0 40 EKAB Cc1ccc(-c2csc3nc(-c4ccccc4C)oc(=O)c23)cc1 348577 UVHHQDNWCMYLPB-UHFFFAOYSA-N 333.412 5.200 0 40 EKAB Cc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 390319 KWKSUGKJZWAPOX-UHFFFAOYSA-N 327.431 5.115 0 40 EKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2sc3ccccc3c2Cl)C1 534908 PFBJGCVIEMIYDM-BUXKBTBVSA-N 347.911 5.596 0 40 EKAB CCCCN(CCCC)C[C@H](O)c1cccc2cc(Cl)ccc12 1706299 IVEOCLBMEDSEPU-FQEVSTJZSA-N 333.903 5.429 0 40 EKAB CCCCc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1937086 VTXCZZDWHTZLOK-XYOKQWHBSA-N 348.273 5.988 0 40 EKAB C[C@@H](/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 3080273 VBHLTLGBEKHVRJ-HIQXPHMNSA-N 349.861 6.099 0 40 EKAB Fc1cccc(Cl)c1CN1c2ccccc2Sc2cccnc21 4051199 JOJBVNILOUDPAD-UHFFFAOYSA-N 342.826 5.677 0 40 EKAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1 5277354 UUZDESCSSNPWGN-HSZRJFAPSA-N 342.442 5.359 0 40 EKAB Cc1ccc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1C 6852830 BPMTYMDKGXSGHY-CYBMUJFWSA-N 336.262 5.030 0 40 EKAB Cc1ccc(C)c(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)c1 11689986 XSISKCDNLDQOJJ-UHFFFAOYSA-N 337.394 5.274 0 40 EKAB CSc1ccc2cc(CN3C[C@H](C)C[C@@H](C)C3)c(Cl)nc2c1 14077151 WCBDLDBOZOXBJW-CHWSQXEVSA-N 334.916 5.088 0 40 EKAB Cc1ccc(C)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 14258157 PFPKTCGMWDLUIE-UHFFFAOYSA-N 337.463 5.369 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1ccccc1F 58184111 KRUYEUNWPDZMKO-QHCPKHFHSA-N 332.484 5.189 0 40 EKAB CC[C@H](NC(=O)CSCc1cccc(C)c1)c1ccc(C)cc1C 222746229 OKLGDEQYHXBKJW-FQEVSTJZSA-N 341.520 5.113 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 222906194 ANRVTGSIOIAUGT-GOSISDBHSA-N 345.870 5.434 0 40 EKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 224414545 QKWYNOIROYSTJO-OAHLLOKOSA-N 345.398 5.300 0 40 EKAB Cc1cccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1C 225022902 LRNCSBPSWGJLAZ-JOCHJYFZSA-N 346.426 5.045 0 40 EKAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C 225711826 CMORGJARELLJAS-UHFFFAOYSA-N 347.499 5.242 0 40 EKAB Cc1ccc(CN2CC=C(c3nc4cc(C)c(C)cc4o3)CC2)cc1 226251217 LPWSVRRNSXRXNV-UHFFFAOYSA-N 332.447 5.042 0 40 EKAB COc1ccc(-c2nc3ccccn3c2Nc2ccc(C)cc2)cc1 427571 ISHCJIKEQATKKK-UHFFFAOYSA-N 329.403 5.062 0 40 EKAB Nc1c(Cl)cc2oc(-c3cc(Cl)ccc3Cl)nc2c1Cl 570200 NECBUBSPYAKJJS-UHFFFAOYSA-N 348.016 5.691 0 40 EKAB CC[C@H](C(=O)NC1c2ccccc2Oc2ccccc21)c1ccccc1 2048540 JMSRZBCLYXTQLP-KRWDZBQOSA-N 343.426 5.192 0 40 EKAB Clc1nc(-c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 2274871 PECGQKBQDJVZER-UHFFFAOYSA-N 346.861 5.832 0 40 EKAB Cc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)c(C)c1 2633174 VTJRAEPPYWOUEQ-UHFFFAOYSA-N 346.430 5.065 0 40 EKAB CCCCCC[C@@H](C)OC(=O)COc1ccc(Cl)cc1Cl 3870725 GJNVTNDAZUATRV-GFCCVEGCSA-N 333.255 5.274 0 40 EKAB biogenic,in-vitro CSc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1 5446763 MNCPYCNLRPUHIV-WYMLVPIESA-N 347.439 5.142 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 5471484 RZOGNCUMTICSNQ-UHFFFAOYSA-N 339.479 5.433 0 40 EKAB Cc1ccc(-c2csc3ncnc(Oc4cc(C)ccc4C)c23)cc1 6566050 QVPJZKPXKFFVAD-UHFFFAOYSA-N 346.455 6.076 0 40 EKAB CCCCc1ccc(NC(=O)CSCc2ccc(C)cc2)cc1 6653057 JBVZFJBSUKKBIP-UHFFFAOYSA-N 327.493 5.210 0 40 EKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)Nc2ccc(Cl)c(Cl)c2)C1 6763546 CHXDLETYBZZONP-SJCJKPOMSA-N 341.282 5.426 0 40 EKAB C[C@H](O)c1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1 7541229 VWNFXIXYDVFQRI-INIZCTEOSA-N 327.468 5.202 0 40 EKAB CC(C)c1ccccc1NC(=O)/C=C/c1ccccc1OC(F)F 11368688 JDXZDESRYOLWCZ-VAWYXSNFSA-N 331.362 5.063 0 40 EKAB O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1 17071933 IQUXTWRZSCAZAJ-KXFIGUGUSA-N 344.600 5.438 0 40 EKAB Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1cccs1 22358159 UNHVZYMLLNCHOL-CQSZACIVSA-N 330.478 5.110 0 40 EKAB COc1ccccc1OCCCCn1c(C(C)C)nc2ccccc21 40231340 WWAKGGGDWDRBMN-UHFFFAOYSA-N 338.451 5.028 0 40 EKAB CC(C)(C)Sc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72217447 VZWZMMIZKJYAJU-IBGZPJMESA-N 340.536 5.699 0 40 EKAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2ccc(Cl)c(Cl)c2n1 78401690 XLVQRFNFQKCNFS-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(F)c(F)c1 225660134 ZXKCYYJMWBTPJF-CYBMUJFWSA-N 348.462 5.008 0 40 EKAB CCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225690798 JUHVJCUEUHDOSY-OAQYLSRUSA-N 349.515 5.118 0 40 EKAB CN(C(=O)C(F)(F)F)c1ccc(Oc2cccc3ccccc23)cc1 226306830 LWHQUEJGXDTTQT-UHFFFAOYSA-N 345.320 5.157 0 40 EKAB CC[C@H]1CC[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 248156218 IORHWXWYCBCYOU-WKILWMFISA-N 332.409 7.056 0 40 EKAB CCCc1nc(CC2CCCC2)c(C(=O)O)cc1-c1ccccc1F 257258766 KVLDDNNEWMCECW-UHFFFAOYSA-N 341.426 5.271 0 40 EKAB CCc1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1 409118076 OTFDOKQPABWCNU-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB COc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1Cl 409118786 URUPFKQOIXTHCY-UHFFFAOYSA-N 330.642 5.576 0 40 EKAB Cc1c(C(=O)O)cccc1-c1ccc(-c2nc3ccccc3s2)o1 409190909 BFLDBPFDYYQCLZ-UHFFFAOYSA-N 335.384 5.230 0 40 EKAB Oc1ccc(-c2nc(-c3cccc(Cl)c3)[nH]c2-c2ccccc2)cc1 274400 MVXGYZUOJLMPAY-UHFFFAOYSA-N 346.817 5.770 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1cccc2ccccc12 291011 IHKVSHRNDFPLCL-UHFFFAOYSA-N 327.383 5.254 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 342768 JXOGYJOCFUSOPS-UHFFFAOYSA-N 336.460 5.360 0 40 EKAB in-vivo O=C(Nc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1 1752563 QYDGLCSQCDNMPD-UHFFFAOYSA-N 334.394 5.060 0 40 EKAB Cc1cc(C)c2nc([C@@H](C)Sc3ccc(Cl)cc3)oc(=O)c2c1 5724789 VGGWJZXVOZDSOD-GFCCVEGCSA-N 345.851 5.312 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 5951230 MPGIGOYMHBMKQZ-UHFFFAOYSA-N 341.451 5.297 0 40 EKAB O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCCc2ccccc21 6927192 YKGVKADXJKRIMS-RELWKKBWSA-N 339.438 5.207 0 40 EKAB Cc1cc(C)c2c(CC(=O)Nc3ccccc3C(F)(F)F)coc2c1 8611901 NBPSYIJZRWUGQB-UHFFFAOYSA-N 347.336 5.250 0 40 EKAB Cc1ccc(NC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc1 12985406 YQSWXPQMNZTKCB-LJQANCHMSA-N 336.460 5.276 0 40 EKAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13709394 JHVCDRIVEDBSBH-MRXNPFEDSA-N 349.430 5.033 0 40 EKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1C 14257893 NMNKZYOFLPOTHL-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB S=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H]2CCCC[C@@H]21 16385082 CEWKKBDWODDHHZ-NHYWBVRUSA-N 343.323 5.345 0 40 EKAB Cc1ccc(-c2cn3cc(-c4ccc(F)cc4)c4c3n2CCCC4)cc1 27525984 VNAROFUMJHUJNL-UHFFFAOYSA-N 344.433 5.859 0 40 EKAB Cc1ccc(COc2cccc(CNc3ccc(Cl)cc3)c2)cc1 33575039 KEFZWPLSKLLRKC-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1ccc2nc(Nc3nc4cc(C(C)(C)C)ccc4o3)sc2c1 57352869 LOKZPIQYXDENKC-UHFFFAOYSA-N 337.448 5.787 0 40 EKAB FC(F)(F)c1ccc(Nc2nc3ccc(Cl)cc3s2)cc1 89065155 DHXZTSFBEWTCGC-UHFFFAOYSA-N 328.746 5.712 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F 222917718 PSSUNEMVQOUZJJ-GOSISDBHSA-N 347.405 5.058 0 40 EKAB CCC[C@](C)(OCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225694696 DWKSJVNODIXCDN-JXFKEZNVSA-N 335.488 5.015 0 40 EKAB CC(C)(C)CN1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 257302297 SCJQDXCIPXJSTO-UHFFFAOYSA-N 340.486 5.037 0 40 EKAB Cc1ccc(NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 408772482 LXKVYIGSVOWYAQ-UHFFFAOYSA-N 347.483 5.681 0 40 EKAB O=C1c2cccc3cccc(c23)N1CSc1nc2ccccc2s1 55540 ZZPYXJCGSJAUHA-UHFFFAOYSA-N 348.452 5.160 0 40 EKAB CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 568255 NKYIDULGKPQQQG-UHFFFAOYSA-N 330.840 5.355 0 40 EKAB Cn1nc(-c2ccccc2)c(COCc2ccc(Cl)cc2)c1Cl 1388812 DSHUMJWEBUMWQD-UHFFFAOYSA-N 347.245 5.111 0 40 EKAB CC(C)Oc1ccc(CNCC[C@]2(C(C)C)CCOC(C)(C)C2)cc1 2200731 YFODDWIUJODQNJ-QFIPXVFZSA-N 347.543 5.185 0 40 EKAB Cc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 2375631 JADCWKQUSAMNLF-UHFFFAOYSA-N 329.830 6.531 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)Nc3ccccc3)ccc21 3136214 CATYZZMBSTYUFB-UHFFFAOYSA-N 329.403 5.458 0 40 EKAB Cc1sc2ncnc(Oc3ccc(Oc4ccccc4)cc3)c2c1C 3359954 QNWINLPYVAVVJE-UHFFFAOYSA-N 348.427 5.893 0 40 EKAB Cc1ccc2nc(-c3c[nH]c4ccccc34)c(NC3CCCC3)n2c1 3909806 UHJHHVCVTCNVGX-UHFFFAOYSA-N 330.435 5.146 0 40 EKAB Clc1ccccc1CSc1ncnc2c1oc1ccccc12 4106821 DPYIZTAWDITRTK-UHFFFAOYSA-N 326.808 5.322 0 40 EKAB Fc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cl)cc1 6251464 IEOXMJIBDDSLAK-UHFFFAOYSA-N 349.114 5.466 0 40 EKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 11689905 ZBIHJJDPRZNEFU-UHFFFAOYSA-N 325.795 5.171 0 40 EKAB CCc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 16162177 HHOJAPDXPGEHKJ-UHFFFAOYSA-N 336.616 5.473 0 40 EKAB Cc1nc([C@H](Cc2ccsc2)NCc2ccccc2F)sc1C 19559927 GLWYSOFRZAACRH-KRWDZBQOSA-N 346.496 5.034 0 40 EKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1C 27794580 UOJFLGLEAJNVBU-UHFFFAOYSA-N 339.435 5.351 0 40 EKAB CSCc1c(C(=O)Nc2ccc3ccccc3n2)oc2ccccc12 58356251 QWBRHXQADKKQPO-UHFFFAOYSA-N 348.427 5.096 0 40 EKAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(C)cc1C 222838192 QLNAFJPTGIPVTR-JOCHJYFZSA-N 347.458 5.103 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1c(C)cc(C)cc1C 223016875 ORUHIIXFLODBKH-GOSISDBHSA-N 345.870 5.370 0 40 EKAB CC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223133954 LTNKFYPXLGCGAD-HSZRJFAPSA-N 349.518 5.382 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CCCC)OCC)cc1C 225701128 WOUMPYQIALEGGJ-NRFANRHFSA-N 349.515 5.406 0 40 EKAB CC(C)Oc1ccc(NC(=O)C2(C)CCCCC2)cc1C(F)(F)F 225954903 LKQQMSNKNOGXMB-UHFFFAOYSA-N 343.389 5.402 0 40 EKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CCC4=C(CCC4(C)C)[C@H]3CC[C@@H]2C1 253594634 HZSWBFWXUWMYKA-WJTVCOANSA-N 330.512 5.661 0 40 EKAB Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)o2)c1 410929 QMBZYZYEYCYYHK-UHFFFAOYSA-N 330.840 5.299 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 563271 VONJTSIIIQNKMZ-NSHDSACASA-N 340.275 5.421 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2c(C)cccc2C(C)C)c(C)c1 1913899 HTVISZAYKXYQBC-UHFFFAOYSA-N 339.479 5.533 0 40 EKAB c1ccc(-c2ccc(/N=c3\sscc3-c3ccccc3)cc2)cc1 2293504 OFBYUPSAOTUDMI-DQRAZIAOSA-N 345.492 6.376 0 40 EKAB Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 4405519 XTIRIQRCSVUTJZ-NRFANRHFSA-N 332.834 5.696 0 40 EKAB COc1ccc(/N=c2\cc(-c3cccs3)oc3ccccc23)cc1 5451505 DKOSEXHSRXBLGI-HEHNFIMWSA-N 333.412 5.402 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N1[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@@H]21 5895569 YSCXRXOBOHVHEX-BDXSIMOUSA-N 332.875 5.305 0 40 EKAB Clc1cccc(-c2nnc(SCc3ccccc3Cl)o2)c1 6227091 HXBCZGYYPDHMDB-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB Cc1csc(N2N=C(c3cccs3)C[C@H]2c2ccccc2C)n1 9419241 WYTHFFBIBVJFSS-INIZCTEOSA-N 339.489 5.177 0 40 EKAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21 13717114 AIBNHSXHEALWEQ-RRFJBIMHSA-N 336.460 5.188 0 40 EKAB COc1ccc(-c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1 14017498 ABCQBFLNOKQSSO-UHFFFAOYSA-N 330.387 5.182 0 40 EKAB COc1ccc(Cc2nc(-c3ccccc3)c3ccccc3n2)cc1F 14246085 VFPJWCKEGZAMRU-UHFFFAOYSA-N 344.389 5.035 0 40 EKAB Cc1ccc(Cl)c(Oc2nc(-c3ccncc3)nc3ccccc23)c1 24040794 CVXHWHGHFAONIE-UHFFFAOYSA-N 347.805 5.446 0 40 EKAB COc1ccc(CNc2cc(Cl)ccc2C)cc1Br 35041117 JWCDJGSRRONTHW-UHFFFAOYSA-N 340.648 5.032 0 40 EKAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 44948428 MFBCWYSEHJEPEZ-GUYCJALGSA-N 333.884 5.088 0 40 EKAB O=C(O)c1c(C(F)F)nc2ccc(Cl)cc2c1-c1ccccc1 96529287 DULWCKLMWLXXFP-UHFFFAOYSA-N 333.721 5.191 0 40 EKAB O=C(CCc1ccccc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361050 PKGZMEVIANUYRF-UHFFFAOYSA-N 346.270 5.540 0 40 EKAB COc1cccc2cc(-c3cc(=O)oc4ccc(C(C)C)cc34)oc12 490414 DKNARBIBABSNPF-UHFFFAOYSA-N 334.371 5.338 0 40 EKAB biogenic CC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 505759 MEMSXBHTTWTRKV-ZDUSSCGKSA-N 331.843 5.179 0 40 EKAB O=c1cc(-c2ccc(Cl)cc2Cl)oc2ccc(Cl)cc12 521278 STUGCLMHODYNAT-UHFFFAOYSA-N 325.578 5.420 0 40 EKAB biogenic Clc1nc(C(Cl)(Cl)Cl)c(Cl)c(Cl)c1Cl 1751807 YMBFWRZKTZICHS-UHFFFAOYSA-N 334.244 5.522 0 40 EKAB CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1ccccc1 2288460 JKNFEVUDHLHSCL-IBGZPJMESA-N 347.395 5.840 0 40 EKAB O=C(Nc1ccccc1C(F)(F)F)C1(c2ccccc2)CCCC1 2512652 SNSDZNWZUJPVFM-UHFFFAOYSA-N 333.353 5.156 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 5726751 HBNSJDWZYJXRDH-UHFFFAOYSA-N 342.489 5.421 0 40 EKAB C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccccc1 7750800 VYSPJHSZLCKXGZ-CYBMUJFWSA-N 325.795 5.091 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(Cl)ccc1Cl 14013509 WNENMEIABCTUJE-INIZCTEOSA-N 338.234 5.098 0 40 EKAB CC(C)OCc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1 23434142 RVPZTBGLTUXZNQ-QGZVFWFLSA-N 347.458 5.256 0 40 EKAB CSc1nn(-c2ccccc2)c(-c2cccnc2)c1-c1ccccc1 26897008 XFFJCYRWOZJWDF-UHFFFAOYSA-N 343.455 5.323 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 30866436 MPARMXCFDFEEMC-RDTXWAMCSA-N 347.911 5.397 0 40 EKAB CCOc1ccccc1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 67340020 PMFSXQQDVIVZPF-CSKARUKUSA-N 341.794 5.137 0 40 EKAB Fc1ccc(SCc2ccc(Br)cc2F)cc1F 70137816 OJLNDDAYLTYINO-UHFFFAOYSA-N 333.172 5.159 0 40 EKAB Cc1ccc([C@@](Cl)(c2ccccc2)c2ccccc2Cl)cc1 84848689 FCMFEPCCEAMQNE-FQEVSTJZSA-N 327.254 6.179 0 40 EKAB C[C@H]1[C@@H]2C[C@H]([C@H]([C@H](Nc3ccccc3)c3ccccc3)C2=O)C1(C)C 100102116 AFKLAVFLSMAXRE-NWRWZVFGSA-N 333.475 5.337 0 40 EKAB CCc1ccccc1NC(=O)c1cc2cc3ccccc3nc2s1 223128205 GLSHGVIFYJZTOG-UHFFFAOYSA-N 332.428 5.264 0 40 EKAB CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223132497 XWPTVCYLAOTLDB-HXUWFJFHSA-N 341.882 5.029 0 40 EKAB Fc1ccccc1NC(=S)NC1(CCc2ccccc2)CCCC1 225851173 BWDKWDRDEADNBQ-UHFFFAOYSA-N 342.483 5.058 0 40 EKAB Cc1ccc(-c2[nH]c(=Nc3cccc4ccccc34)sc2C)cc1C 409060137 XRKBXVWJIRZGJM-UHFFFAOYSA-N 344.483 6.054 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(F)cc1)c1ccccn1 141282 HYKOICNXDXPVSZ-NRFANRHFSA-N 331.394 5.212 0 40 EKAB Cc1ccc(SCC(=O)n2c3ccccc3c3ccccc32)cc1 2205826 XPVSEBWWCUUGNM-UHFFFAOYSA-N 331.440 5.535 0 40 EKAB CC(C)(C)c1cc(SCCc2ccncc2)cc(C(C)(C)C)c1F 2280068 YBDQIIHGHJVLCC-UHFFFAOYSA-N 345.527 6.151 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C 3342285 YXOUABSAVUIBLX-KRWDZBQOSA-N 336.262 5.680 0 40 EKAB CCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)nc2)CC1 4607911 NRVJMZDYNDKZGP-UHFFFAOYSA-N 335.535 7.165 0 40 EKAB Cc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 5032771 WNHRMJZBTLJUPH-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB CC(C)(C)[P@@](=Nc1ccccc1)(c1ccncc1)N1CCCC1 5496438 ZONRKGPKRWCDCY-HSZRJFAPSA-N 327.412 5.049 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)c1c[nH]c2ccccc12 6550824 VRCMRBLXWJKYOG-UHFFFAOYSA-N 326.399 5.011 0 40 EKAB CC[C@H]1CN(Cc2ccccc2)Cc2cc3c(C)ccc(C)c3nc2O1 13563717 MWGIWBHULNQAHW-FQEVSTJZSA-N 346.474 5.025 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1F 15583460 UGMZNCUYTSJNHH-UHFFFAOYSA-N 325.770 5.398 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 30866430 MPARMXCFDFEEMC-KSSFIOAISA-N 347.911 5.397 0 40 EKAB c1ccc(Oc2ccccc2NCc2nc(-c3ccsc3)no2)cc1 48261177 MBAKXXQWAMNZHR-UHFFFAOYSA-N 349.415 5.203 0 40 EKAB Cc1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1 67321661 SZAMMEBVENALSG-UHFFFAOYSA-N 345.265 5.625 0 40 EKAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnc2ccccc2c1 69976803 MHPMMFZHJKAQQZ-UHFFFAOYSA-N 345.855 5.004 0 40 EKAB CCc1cc(Br)c2oc(-c3cc(C)cc(C)c3)nc2c1 73639700 COYXDOLAFOHWGQ-UHFFFAOYSA-N 330.225 5.437 0 40 EKAB CCc1cc(Br)c2oc(-c3ccc(C(C)C)cc3)nc2c1 73639716 VAMWGPGRDJNVAD-UHFFFAOYSA-N 344.252 5.943 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1Cl 95917304 DGVVJHYCRHFVDR-UHFFFAOYSA-N 326.754 5.502 0 40 EKAB CC[C@H](C)[C@@H](CSC(F)(F)F)NCc1ccc(Cl)cc1 95918371 MZLMPCCTCWOSMQ-GXFFZTMASA-N 325.827 5.097 0 40 EKAB CCC1(CC)C[C@@H](NC(=S)Nc2ccccc2)c2ccccc2O1 222757880 WSUNYDBRZOWFCR-QGZVFWFLSA-N 340.492 5.056 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCCCC)c(C)c1 225624436 AGQDLZALCKMHMW-NRFANRHFSA-N 349.515 5.406 0 40 EKAB C/C=C1/CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612250 FGSFYZNXYHDZKI-HUGTUYDKSA-N 344.539 5.907 0 40 EKAB Fc1ccc(CSc2ncc(-c3ccc(Cl)cc3)cn2)cc1 1397667 QGFCIZDYDJLTRS-UHFFFAOYSA-N 330.815 5.228 0 40 EKAB COc1ccc(-c2csc3ncnc(Oc4cccc(C)c4)c23)cc1 2651151 OEWGLBUDTCANEH-UHFFFAOYSA-N 348.427 5.468 0 40 EKAB O=C(NC1CCCCCC1)[C@H](Sc1ccccc1)c1ccccc1 2734247 ROGTXPDKQFVLEJ-HXUWFJFHSA-N 339.504 5.359 0 40 EKAB CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1Cl 3851808 VYRQSCXYBXXRPB-NRFANRHFSA-N 348.833 5.191 0 40 EKAB biogenic COc1ccc(-c2csc(NCc3ccccc3)n2)c2ccccc12 4219001 QCJYYFSBQQJGMH-UHFFFAOYSA-N 346.455 5.584 0 40 EKAB Fc1cccc(Cl)c1Cn1c(-c2ccccc2)nc2ccccc21 5545699 MIVMULMTOWBVKQ-UHFFFAOYSA-N 336.797 5.544 0 40 EKAB Oc1ccccc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 5862761 HIGTYFZLKGEPIC-UHFFFAOYSA-N 331.802 5.928 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1ccc(-c2ccccc2)nc1C 12926636 XBPOPOIOOFKRJF-UHFFFAOYSA-N 344.458 5.434 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2ccccc2c1 20112472 LTNRSJPXGLUIEV-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB c1ccc(SCN(CSc2ccccc2)C2CCCCC2)cc1 31670214 PUSASBOTSIBYQD-UHFFFAOYSA-N 343.561 6.121 0 40 EKAB Cc1cc(C)c2c(CC(=O)Nc3ccc4ccccc4c3)coc2c1 39882774 OFMIWABNNQUPOW-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1c(Cl)cccc1Cl 95917330 VMZQNHCVMTUTLA-UHFFFAOYSA-N 343.209 6.017 0 40 EKAB Clc1ccccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 216914519 RMPOCWLBSFNELB-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(C)cc1C 222838252 QLNAFJPTGIPVTR-QFIPXVFZSA-N 347.458 5.103 0 40 EKAB CCOc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 586473956 ICLQCABHKBOWGE-UHFFFAOYSA-N 328.415 5.150 0 40 EKAB O=C(c1c(Cl)cccc1Cl)N1CCC(Cc2ccccc2)CC1 1480373 CYGYBSYNHSESQO-UHFFFAOYSA-N 348.273 5.088 0 40 EKAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1986108 BMMPRWYDENFSBW-PKNBQFBNSA-N 348.273 5.770 0 40 EKAB O=c1c(Cc2ccccc2)c(Cl)c2ccccc2n1-c1ccccc1 2557549 PPHURPVQDFAMST-UHFFFAOYSA-N 345.829 5.235 0 40 EKAB C/C(=C/C(=O)Nc1cccc2ccccc12)Nc1c(C)cccc1C 5337828 DSFGXQCJMDOPFT-VKAVYKQESA-N 330.431 5.411 0 40 EKAB CC(C)(C)c1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1 5726790 VBFWAXXXSPAJKZ-UHFFFAOYSA-N 344.414 5.980 0 40 EKAB CCCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OC 6942195 ILXVMPPLXBPGID-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB Cc1ccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)cc1 6966040 DQNOEVXFUKKLEE-BUVRLJJBSA-N 339.442 5.444 0 40 EKAB c1ccc(-c2cc(CSc3nnc(C4CCCCC4)o3)no2)cc1 7415630 MBGMZZLBZQRLSU-UHFFFAOYSA-N 341.436 5.065 0 40 EKAB O=C(Nc1ccccc1)Nc1c2c(nc3ccccc13)CCCCC2 13213500 UFUZJYOLUGYDCM-UHFFFAOYSA-N 331.419 5.148 0 40 EKAB Clc1ccc(COc2ccccc2CNC2CCCCC2)cc1 16449616 PTQYGXFUZXHCRY-UHFFFAOYSA-N 329.871 5.341 0 40 EKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 20897026 YMEOBIJFMSPNHX-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB Clc1c(CSc2nnc3n2CCCCC3)sc2ccccc12 24968765 YUMXGBRXXCZDTB-UHFFFAOYSA-N 349.912 5.165 0 40 EKAB CC(C)c1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 32692094 ZOQCETXLFODTHP-UHFFFAOYSA-N 335.472 5.694 0 40 EKAB c1csc(-c2nc(-c3cccs3)nc(-c3cccs3)n2)c1 38888130 NJIOTNJBYBDXMZ-UHFFFAOYSA-N 327.459 5.057 0 40 EKAB CCc1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 44883458 WMCXFEZPYWBKJG-QGZVFWFLSA-N 333.884 5.412 0 40 EKAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(Cl)cc1Cl 49543958 PQNDPBTXWUVCIA-NSHDSACASA-N 338.238 5.069 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224268865 RBTUIAOIJWXLPK-HNNXBMFYSA-N 345.398 5.300 0 40 EKAB Cc1cc(C)c(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)c(C)c1 225137478 FWDSTXVNOLWMRX-QGZVFWFLSA-N 334.868 5.053 0 40 EKAB CC(C)C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 225491887 FKERBWRBDPBSTK-QGZVFWFLSA-N 332.900 5.414 0 40 EKAB Cc1cccc(C(=O)Oc2ccc3c(Br)cccc3c2)c1 364977 UFPDTWOZWUWJGT-UHFFFAOYSA-N 341.204 5.130 0 40 EKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2[C@H](C)CC)c1 569069 HHRIIDQCLYKQCO-HZPDHXFCSA-N 325.452 5.630 0 40 EKAB O=C(c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1382889 COGJPUBEMBZBLL-LSDHHAIUSA-N 335.628 5.089 0 40 EKAB CC1(C)COC(CCCCC(=O)c2cccc(Cl)c2Cl)OC1 2518141 GKVISQIMGMWRCF-UHFFFAOYSA-N 345.266 5.136 0 40 EKAB O=C(Nc1cccc2cnccc12)c1ccc(Oc2ccccc2)cc1 3275012 LWPXFRYZANDDCB-UHFFFAOYSA-N 340.382 5.279 0 40 EKAB CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2s1 3320447 SSTFHSGDYBCLAT-UHFFFAOYSA-N 342.489 5.151 0 40 EKAB O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(F)cc1 4279308 UIWLCBJHGYYPFQ-UHFFFAOYSA-N 346.386 5.335 0 40 EKAB Clc1ccc2c(Oc3ccccc3-c3ccccc3)ccnc2c1 7737544 RMXAZDSVXPYAEQ-UHFFFAOYSA-N 331.802 6.348 0 40 EKAB CCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1OC 8275514 NFAUEWBRBKEYOJ-UHFFFAOYSA-N 347.842 5.088 0 40 EKAB Cc1ccc2oc(C(=O)NC3CCCCCCCCCCC3)cc2n1 8798529 ZVCYQMIUZDBBOO-UHFFFAOYSA-N 342.483 5.539 0 40 EKAB Cc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1C 10009823 BYUWOUCVRKZRAQ-UHFFFAOYSA-N 331.415 5.277 0 40 EKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCl 13398870 WJYFACPYOCRQPX-YICFOJQDSA-N 334.931 5.350 0 40 EKAB biogenic Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(Cl)cc3)nc12 14258004 UHXCZWCPGGFYEP-JXMROGBWSA-N 342.851 5.218 0 40 EKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2cc(Cl)ccc2o1 54644578 PNBMVQDVKKBESF-UHFFFAOYSA-N 340.593 5.645 0 40 EKAB c1csc(-c2nc(CN[C@H]3CCCc4ccccc43)cs2)c1 66863040 JLVHWJUYKCCTGQ-INIZCTEOSA-N 326.490 5.039 0 40 EKAB CC(C)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 98073350 XVVTVCFFXRRJCI-UHFFFAOYSA-N 329.443 5.581 0 40 EKAB CC(C)C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 220017522 QWGXCMLHASKYGM-LJQANCHMSA-N 329.871 5.176 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)CCc1c(Cl)cccc1Cl 225347378 CSNDSNHLEZRBAF-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB CCOc1ccc2ccccc2c1CNc1cc(Cl)ccc1C 409117898 YAQXQCHPQLWUKC-UHFFFAOYSA-N 325.839 5.812 0 40 EKAB CCc1cc(=O)oc2cc(OCc3ccc(Cl)cc3Cl)ccc12 82568 KESHIBPJAOMEQF-UHFFFAOYSA-N 349.213 5.241 0 40 EKAB O=P(NC1CCCCC1)(Oc1ccccc1)Oc1ccccc1 1555386 SAZWYANVPYDMLE-UHFFFAOYSA-N 331.352 5.175 0 40 EKAB CCCCCOc1ccc(C(=O)O[C@H]2C[C@@H]3[C@H](C[C@@H]2C)C3(C)C)cc1 3192174 OHQAEYDVUFZFSY-QLIIJSOBSA-N 344.495 5.483 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccco1 5369632 HNNCIRYDHPLEAA-MISYRCLQSA-N 339.479 5.383 0 40 EKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 5567736 FLCQTVGNQXTYCP-UHFFFAOYSA-N 335.017 5.553 0 40 EKAB CCN(CC)CCCO[C@H](c1ccccc1)c1ccc(Cl)cc1 6381954 OBZYMERBHFKYTP-HXUWFJFHSA-N 331.887 5.178 0 40 EKAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)Cc1cccs1 6527002 JVBVZRXPACYHHB-UHFFFAOYSA-N 346.839 5.229 0 40 EKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 9053294 YNKVAPIVNRANJO-ZDUSSCGKSA-N 339.439 5.272 0 40 EKAB O=C(Nc1ccc2scnc2c1)C(c1ccccc1)c1ccccc1 10217504 GPNDEFDYZSIMKI-UHFFFAOYSA-N 344.439 5.067 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1cccc2ncccc12 12771722 GGZKXIGSNNKIHR-UHFFFAOYSA-N 344.439 5.119 0 40 EKAB Fc1ccc(-c2coc3cc4oc(=S)c5c(c4cc23)CCC5)cc1 13732980 ISKHLTYMPBZLJI-UHFFFAOYSA-N 336.387 6.203 0 40 EKAB Nc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F 14630349 MWFIIBKHMOLIAF-UHFFFAOYSA-N 329.321 5.747 0 40 EKAB Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2n1 15835299 KZHAKEVLOKDNPD-MRXNPFEDSA-N 348.446 5.073 0 40 EKAB CCCc1nnc(-c2cc3ccccc3n2Cc2ccccc2C)o1 17287307 UFELGPNGTGMDJR-UHFFFAOYSA-N 331.419 5.001 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1cccc(Cl)c1 19879402 NMJYNSBYFFOCRI-OAQYLSRUSA-N 347.849 5.726 0 40 EKAB CCCCC1CCC(c2ccc(I)cc2)CC1 49588468 WSVCQFMWNNGAEB-UHFFFAOYSA-N 342.264 5.755 0 40 EKAB CCCCOc1ccc(-c2cc3c(SC(C)C)nccn3n2)cc1 57510873 IHCRDSSLMOAQRV-UHFFFAOYSA-N 341.480 5.076 0 40 EKAB Cc1cnc([C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C2CC2)s1 72301683 ZBVNYFDSCOBMBR-NSHDSACASA-N 347.793 5.082 0 40 EKAB Cc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1N 84847106 SLRVZGOVKVVJAX-UHFFFAOYSA-N 342.467 6.035 0 40 EKAB C1=C/[C@H]([C@H]2/C=C/CCCCCCCCC2)CCCCCCCCC/1 96068440 ZVQLJQKZIPBSRE-KJMRSUAVSA-N 330.600 8.380 0 40 EKAB Cc1cc(Br)c2[nH]c(-c3cccc4ccccc34)nc2c1 216911714 MJHHPLVTBIBAIE-UHFFFAOYSA-N 337.220 5.454 0 40 EKAB CC[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc(C)c(C)c1 222678433 UWYTWGBAPFYGKA-QHCPKHFHSA-N 345.486 5.657 0 40 EKAB CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(C)cc1C 223657139 OISONZTWAJVLID-NRFANRHFSA-N 335.491 5.383 0 40 EKAB Cc1cc(C)c(NC(=O)c2sc3ccccc3c2Cl)c(N)c1 226347268 ADXZBXQRRVDLGT-UHFFFAOYSA-N 330.840 5.006 0 40 EKAB CCc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 282 USKHCLAXJXCWMO-OAHLLOKOSA-N 326.509 5.049 0 40 EKAB in-man O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 309743 MUKIICNBZDWBNF-LJQANCHMSA-N 334.806 5.111 0 40 EKAB Cc1csc(Nc2ccc(Cl)cc2)[n+]1-c1ccc(Cl)cc1 1466390 CJEWTGRSNCCLKG-UHFFFAOYSA-O 336.267 5.384 0 40 EKAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc2ccccc12 3418136 IVYZGYLYPYMARH-LBPRGKRZSA-N 343.785 5.038 0 40 EKAB COc1ccc([C@@H](CCN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 4934856 ZXMNEGRPJLYERL-SKPFHBQLSA-N 349.518 5.339 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 6496228 IMZVLFGFUAGBMZ-NTCAYCPXSA-N 333.818 5.659 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cc(Cl)ccc1Cl 13788121 WYENPZDOLOGBMF-UHFFFAOYSA-N 345.682 5.764 0 40 EKAB Cc1ccc(-c2csc(S[C@@H](C)c3nc(C(C)C)no3)n2)cc1 27774220 BMEAYOKDQDRPDV-LBPRGKRZSA-N 345.493 5.478 0 40 EKAB CSc1ncnc2sc(-c3ccccc3)c(-c3ccccc3)c12 36625103 ACQPUMMCDKPHGW-UHFFFAOYSA-N 334.469 5.747 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 38755036 APNJUQIERXLUDJ-QZTJIDSGSA-N 339.479 5.072 0 40 EKAB CCCCc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 40846533 HFKMGTCKWLWGBY-UHFFFAOYSA-N 339.479 5.344 0 40 EKAB CC(C)Sc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 44087200 VNRFJXQDXPBGSS-UHFFFAOYSA-N 328.868 5.693 0 40 EKAB CCOc1ccc2nc(C)cc(Nc3ccc(N(CC)CC)cc3)c2c1 57270737 YZTXSJSYDRIJDF-UHFFFAOYSA-N 349.478 5.532 0 40 EKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc2ccccc2s1 59055207 CTJXXVHOOWEFCZ-ACCUITESSA-N 346.411 5.208 0 40 EKAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2cccc3ccccc23)S1 71285615 UPHCCTQFMOWRTI-KRWDZBQOSA-N 337.448 5.209 0 40 EKAB Clc1ccccc1[C@@H](N1CCCCC1)C(Cl)(Cl)Cl 95695608 DYOFOGDRKYPWPI-GFCCVEGCSA-N 327.082 5.237 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 95917329 ALSABDTUOZLKNV-UHFFFAOYSA-N 343.209 6.017 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(Cl)c1 106971503 KJJTUMXFHXVEJO-UHFFFAOYSA-N 344.669 5.966 0 40 EKAB CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223229659 UQBLWWIAJUMBOC-HNNXBMFYSA-N 339.504 5.167 0 40 EKAB Cc1cccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1C 225022940 LRNCSBPSWGJLAZ-QFIPXVFZSA-N 346.426 5.045 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 225763151 UCTNBJNSGAXZDS-HXUWFJFHSA-N 340.536 5.604 0 40 EKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c2ccccc12 225841473 BADOIJZBJQZMPI-NRFANRHFSA-N 343.467 5.018 0 40 EKAB c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2CCCC2)cc1 1857794357 LDTMOWCLZVKSCT-UHFFFAOYSA-N 328.415 5.862 0 40 EKAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C 282018 MPRIQYWSBAHHIU-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(F)c(Cl)c1 514088 CIKDFFAYTDHIOG-QHHAFSJGSA-N 344.600 5.438 0 40 EKAB Cc1cc2sc(NC(=O)c3ccc(C(C)C)cc3)nc2cc1Cl 569703 DLHWGZMKPAFYOI-UHFFFAOYSA-N 344.867 5.634 0 40 EKAB Cc1ccc(-c2csc3ncnc(-n4cnc5ccccc54)c23)cc1 1465629 KLSWQJCVHWEYCW-UHFFFAOYSA-N 342.427 5.006 0 40 EKAB CCSC1(SCC)C2(CCCCC2)C(=O)C12CCCCC2 1757511 CRPUVDCGONRSAA-UHFFFAOYSA-N 326.571 5.673 0 40 EKAB FC(F)(F)c1ccc(Oc2ccc(-n3cccc3)cc2Cl)nc1 3133286 FVXJAMNEJBDEAW-UHFFFAOYSA-N 338.716 5.337 0 40 EKAB Cc1ccc2nc(-c3ccc(NC4=NCCCCC4)cc3)sc2c1 3242387 FTUZOMUPHXLLBY-UHFFFAOYSA-N 335.476 5.656 0 40 EKAB O=C(OCc1ccc(Cl)cc1Cl)c1cc2ccccc2cc1O 3271535 COWIWOFNFMVWOA-UHFFFAOYSA-N 347.197 5.209 0 40 EKAB O=C(N(Cc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4460091 NCJKVWKJJBEEOX-UHFFFAOYSA-N 345.486 5.436 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1 4603293 NPWSQRBVXSUJGS-UHFFFAOYSA-N 339.822 5.778 0 40 EKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(C)C)cc1 9141464 PLNRNFSBGCNSKK-UHFFFAOYSA-N 338.234 5.378 0 40 EKAB Cc1ccc(-c2cc(Cl)nc(SCc3ccccc3)n2)cc1 12016177 MSLMFPPZZCCBKB-UHFFFAOYSA-N 326.852 5.398 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O 33820324 AVKOENOBFIYBSA-GUTOPQIJSA-N 330.512 6.773 0 40 EKAB Fc1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 45920088 PPCUGMOLKMLUDW-UHFFFAOYSA-N 342.620 5.518 0 40 EKAB CC(C)[C@H](NC(=O)N[C@@H](c1cccs1)C(C)C)c1cccs1 48362264 DFFXTJXGNWRBDP-IYBDPMFKSA-N 336.526 5.203 0 40 EKAB COc1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)c1 84148743 RPJUIVGBEVYKBN-OXJNMPFZSA-N 338.451 5.009 0 40 EKAB Cc1cc(NCC2(N3CCCCC3)CCCCC2)c2ccccc2n1 89583149 CMNYBSAPCITOFO-UHFFFAOYSA-N 337.511 5.144 0 40 EKAB CCCCN(c1ccccc1)c1ccc(Br)cc1Cl 95915858 WHPKFWPEAZPLHA-UHFFFAOYSA-N 338.676 6.041 0 40 EKAB CC[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(C)c(C)c1 225709468 YCZBQDFFGLGWSN-MRXNPFEDSA-N 332.900 5.395 0 40 EKAB CCCCSc1nnc(-c2ccccc2)n1-c1ccc(CC)cc1 409088768 LYGJTMKMNZUQMW-UHFFFAOYSA-N 337.492 5.389 0 40 EKAB Cc1ccc(Cl)c(O[P@@](C)(=O)Nc2cc(Cl)ccc2C)c1 203288 MLRZWQZVSAVAON-OAQYLSRUSA-N 344.178 5.924 0 40 EKAB Clc1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)cc1 1807519 JGDDAICMGREMOU-UHFFFAOYSA-N 337.854 5.331 0 40 EKAB CC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(Cl)cc3)c12 1935846 FTJPXWXSMOFAIP-JTQLQIEISA-N 348.880 5.081 0 40 EKAB Cc1ccc([C@@H]2CC(c3cc(C)c(C)cc3C)=NN2c2ccccc2)o1 4153314 RICGOCAICZVYBC-QFIPXVFZSA-N 344.458 5.869 0 40 EKAB Cc1cccc(Cc2cn3cc(-c4ccc(Cl)cc4)nc3s2)c1 5020422 YSVRUPOSFYYXCQ-UHFFFAOYSA-N 338.863 5.615 0 40 EKAB Cc1cc(C)c(OCC(=O)Nc2c(C)cccc2C(C)C)c(C)c1 5443026 MTDGZEVMNKOZOM-UHFFFAOYSA-N 325.452 5.061 0 40 EKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 6124104 JXLBKVSFVIIYPN-UHFFFAOYSA-N 346.666 5.378 0 40 EKAB Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)c(F)c1 7265142 YMLZCLLZOJWCLU-UHFFFAOYSA-N 333.362 5.010 0 40 EKAB C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 17916248 BNVLEPZOZIHLRR-QGZVFWFLSA-N 347.433 5.225 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 21290635 CQULUFBRYYSIJN-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB Cc1cccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)c1 27739933 DOMSDYBOCWRSRB-UHFFFAOYSA-N 335.472 5.520 0 40 EKAB Cc1cccc(Nc2cc(C)nc3c(C)c(-c4cccc(C)c4)nn23)c1 40216767 GAMATHMWUZCITE-UHFFFAOYSA-N 342.446 5.374 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1C 59351269 KJWWNSMJSDSLHM-ZWKOTPCHSA-N 339.479 5.072 0 40 EKAB c1ccc(CN2CCCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 72214164 BQVOMJFQSAPREV-JOCHJYFZSA-N 343.474 5.552 0 40 EKAB CCO[C@@H](c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)c[nH]1 72414126 ORVOFCCFHPJZCS-KRWDZBQOSA-N 347.245 5.509 0 40 EKAB Cc1ccc([C@H]2C(O)=C(c3ccccc3)Sc3ccc(C)cc32)cc1 104256737 FNZJQGAFOWUXBH-OAQYLSRUSA-N 344.479 6.468 0 40 EKAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222902831 YKJQDQZKUCBBOP-XETPBLJFSA-N 339.866 5.109 0 40 EKAB CC(C)c1c(-c2ccccc2)[nH]c2cc(Br)ccc2c1=O 685938141 DJCGSXAPTVXTCE-UHFFFAOYSA-N 342.236 5.081 0 40 EKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(F)c1 190219 LBLLWWXUDAPIAS-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB Cc1cc2nnc(SCc3ccccc3Cl)n2c2ccccc12 329281 REUNORUJGNCPEA-UHFFFAOYSA-N 339.851 5.137 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(F)c1)c1ccncc1 506024 NNDHJAFYBFIXCM-NRFANRHFSA-N 331.394 5.212 0 40 EKAB O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 560602 IKRFCLVDCGHBLJ-UHFFFAOYSA-N 335.790 5.167 0 40 EKAB O=C(Nc1ccc2ccccc2c1)[C@@H](c1ccccc1)C1CCCC1 2198011 ZOSTWKFQFNTANW-QFIPXVFZSA-N 329.443 5.752 0 40 EKAB Cc1cccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 2339524 NWLQXBIVVHQPLT-UHFFFAOYSA-N 345.833 6.002 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccccc1C(C)(C)C 5756024 GJOGZANVJCQKDR-UHFFFAOYSA-N 339.479 5.433 0 40 EKAB Clc1cc(Cl)cc(-c2ccc(CNC3CCCCCC3)o2)c1 7524790 BCNMHWHSEIDDIR-UHFFFAOYSA-N 338.278 6.066 0 40 EKAB O=C(CCC1CCCCC1)N1CCC[C@@H]1c1nc2ccccc2s1 9865118 SZQIPPKMLGUUAH-QGZVFWFLSA-N 342.508 5.320 0 40 EKAB CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 13689759 LTXWAEMTDQYPDG-OAQYLSRUSA-N 345.833 5.353 0 40 EKAB Fc1ccc(F)c(NC(=S)Nc2ccc(Cl)cc2Cl)c1 13787665 YKGNSXSOGWXAPN-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB O=C(Nc1ccccc1Br)c1cc(Cl)cc(Cl)c1 14784519 FJHMFXQMAJALNU-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1 17071030 WURLMRYUCSIWSP-UHFFFAOYSA-N 338.454 6.132 0 40 EKAB CC[C@@H](C)[C@H](CSC(F)(F)F)NCc1ccc(Cl)cc1 95918372 MZLMPCCTCWOSMQ-MFKMUULPSA-N 325.827 5.097 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](C)c1ccccc1 224474357 TUJNYOKGOZBJFD-KDOFPFPSSA-N 347.911 5.131 0 40 EKAB S=c1sc2c(s1)S[C@@H]1[C@H](C[C@H]3[C@H]4C=C[C@@H](C4)[C@@H]31)S2 245230762 YJEUJNZJEIHEBL-CZGZKWGZSA-N 328.574 5.316 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 253650 UJEKRKVGVQAVDM-UONOGXRCSA-N 331.843 5.260 0 40 EKAB Cc1ccc(-c2nnc(-c3cc4cc5ccccc5nc4s3)o2)cc1 1399205 SPAPLTWUVMVRBR-UHFFFAOYSA-N 343.411 5.475 0 40 EKAB O=C(Nc1cccc(F)c1)Oc1ccc(OCc2ccccc2)cc1 1738501 AEMDBAPVCSIJIF-UHFFFAOYSA-N 337.350 5.016 0 40 EKAB Cc1cc(C)cc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 2374537 PCTURGNSIOXAKJ-UHFFFAOYSA-N 342.398 5.412 0 40 EKAB Cc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1 3073119 NCBJLHJPGLDBED-UHFFFAOYSA-N 342.486 5.637 0 40 EKAB O=C(CCNc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 3155929 HJQKRQORYZTSQK-UHFFFAOYSA-N 328.626 5.332 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)O 4543555 YUFFSWGQGVEMMI-RCHUDCCISA-N 330.512 6.773 0 40 EKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12 6238016 MVULTMYMJOFXFE-UHFFFAOYSA-N 329.321 5.040 0 40 EKAB CCCCOc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 6264449 SEKCZRPHFHKYFV-UHFFFAOYSA-N 334.419 5.663 0 40 EKAB C[C@@H](Sc1nc2ccccc2s1)c1nnc(-c2ccccc2)o1 7748101 IMBVDBFOSHITAB-LLVKDONJSA-N 339.445 5.200 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1 7996001 MQYSSCNPSBJMRK-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB C[C@H](NCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 8121629 CIIASBULAXUPMV-LBPRGKRZSA-N 347.245 5.499 0 40 EKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1 10215062 KVTYBJKOJWONMN-PZJWPPBQSA-N 346.455 5.299 0 40 EKAB CCc1ccccc1NC(=O)CCc1ccc(-c2ccc(C)cc2)o1 11690420 FDTTZSDFMRGZMZ-UHFFFAOYSA-N 333.431 5.389 0 40 EKAB CC[C@H]1CN(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2O1 13562940 SYTHZNGOPKMYDW-NRFANRHFSA-N 346.474 5.025 0 40 EKAB CC(C)C(=O)[C@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)C(C)C 17147002 ICPJFLYCNOEUNZ-MYGLTJDJSA-N 348.486 5.250 0 40 EKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)C1(c2ccccc2)CCCC1 20069106 POLPGHNZUAZXSN-INIZCTEOSA-N 337.438 5.005 0 40 EKAB CCc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)o2)cc1 20197067 MCJHNVLVFGCNPD-UHFFFAOYSA-N 344.867 5.169 0 40 EKAB c1cc2c(cc1SCc1csc(C3CCCC3)n1)OCCCO2 64023399 TVQMPLYQHPZJTB-UHFFFAOYSA-N 347.505 5.254 0 40 EKAB CCCCC[C@H](CC)OC(=O)c1ccccc1C(=O)OCCCC 95869922 WGGPIODSUQZNTP-INIZCTEOSA-N 334.456 5.159 0 40 EKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccccc3F)C2=C(O)C1 100640323 QFJJOWARYZQXOV-FQEVSTJZSA-N 336.410 5.697 0 40 EKAB Cc1cccc([C@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)c1 224837863 ZIRTVULHYQZURX-JOCHJYFZSA-N 329.443 5.131 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)cc1 225748626 AZQGGRPBMSLALA-OAQYLSRUSA-N 349.515 5.570 0 40 EKAB CCCC(CCC)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360038 BUGIVPOBVYJRGW-UHFFFAOYSA-N 340.307 6.123 0 40 EKAB CCC[C@H](Nc1cc(Cl)cc(Cl)c1)n1nnc2ccccc21 114610 VICQFCQZTYSEIL-MRXNPFEDSA-N 335.238 5.149 0 40 EKAB Cc1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)cc1 364395 LTCORKYAGQWSCQ-UHFFFAOYSA-N 341.204 5.130 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1 505778 JKVOXMNFGCLBBL-MRXNPFEDSA-N 325.452 5.341 0 40 EKAB O=C(Nc1cccc(Cl)c1)NC1CCC(CC2CCCCC2)CC1 1697717 GXCWDBTWEMBEHX-UHFFFAOYSA-N 348.918 5.991 0 40 EKAB CCOc1ccc(-c2cc(C)nc(-c3ccc(OCC)cc3)c2)cc1 2268764 LZUFZSCKWIYHIV-UHFFFAOYSA-N 333.431 5.521 0 40 EKAB CSC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 3206413 AAVDFMRFTIAAMT-UHFFFAOYSA-N 330.503 5.332 0 40 EKAB O=C(CCC1CCCCC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 3452387 BMCOGTGPUNAYGE-UHFFFAOYSA-N 347.462 5.529 0 40 EKAB CCCn1c(-c2ccc(OC)c(F)c2)cs/c1=N\c1ccccc1 4837333 NFOVQLLQFAUIPK-VZCXRCSSSA-N 342.439 5.007 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CC(Cl)=C(Cl)Cl)C2 4973977 INCZUJUVFSJFCB-LLHLLMPMSA-N 325.663 5.020 0 40 EKAB Cc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 5588004 YKNUCMZSOXKOMD-UHFFFAOYSA-N 342.467 6.529 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 6479672 LPEPLMNXPYSGRU-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB Cc1cc(OCc2nc3cc(Cl)ccc3[nH]2)c(C(C)C)cc1Cl 6566845 LHCKGPQAGNBPQZ-UHFFFAOYSA-N 349.261 5.881 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CSCc1cccc(Cl)c1 7094130 APPQZIRBTMODII-UHFFFAOYSA-N 347.911 5.644 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 8478707 XDHUCRGWZXXWDB-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c(Cl)c1 9064448 SMYXKTBYZPHSRW-OAHLLOKOSA-N 342.870 5.280 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)c(Cl)c1 9141360 VKWPBFAOQOPUQL-UHFFFAOYSA-N 328.799 5.051 0 40 EKAB Cc1ccc(CO[C@H]2C[C@@H](C)S[C@@H]3C=CC(Cl)=C[C@H]23)c(C)c1 12954241 GOYSMGSBVGBIAH-DQEVTTJGSA-N 334.912 5.391 0 40 EKAB Cc1ccc(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn23)c(C)c1 35616464 ZSNIGKAYNFRWGA-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB O=C(c1ccc2ccccc2c1)N(Cc1ccc2[nH]ccc2c1)C1CC1 36360356 IGOZFBSCWDTXAF-UHFFFAOYSA-N 340.426 5.126 0 40 EKAB Cc1ccc(-c2nc(CSc3nncc4ccccc34)co2)c(C)c1 40057618 HSCUKMKTEIYEKM-UHFFFAOYSA-N 347.443 5.194 0 40 EKAB CCCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1 59796823 YDVUSMRUBCJGAV-UHFFFAOYSA-N 348.521 7.625 0 40 EKAB in-vitro CCOc1ccc2ccccc2c1CNc1ccc(C)c(Cl)c1 106972037 XVDSQPOQIXEHTK-UHFFFAOYSA-N 325.839 5.812 0 40 EKAB CSc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 223246623 QTEXPCHFPOOTRO-HNNXBMFYSA-N 343.492 5.246 0 40 EKAB O=C(CCc1cccc(Cl)c1)N1CCCC[C@H](c2ccccc2)C1 390825965 UUVAHKFRNGQSDW-IBGZPJMESA-N 341.882 5.069 0 40 EKAB COc1ccc2c(c1)Cc1sc(Nc3ccc(Cl)cc3)nc1-2 408891749 USKSJCBJZDUQJA-UHFFFAOYSA-N 328.824 5.120 0 40 EKAB Cc1ccc(COc2cccc(CNc3cccc(C)c3C)c2)cc1 409112450 GIRGBRGWHOBCLG-UHFFFAOYSA-N 331.459 5.803 0 40 EKAB CC(C)CCc1cc(=O)oc2cc3c(cc12)[C@@H](C)CC(C)(C)N3C 575473140 HZFAXMAUDPYDND-AWEZNQCLSA-N 327.468 5.104 0 40 EKAB CC(C)(C)c1cc(Br)cc(-n2cnc3ccccc32)c1 1772490929 NWABAJSRWBGKDQ-UHFFFAOYSA-N 329.241 5.086 0 40 EKAB Cc1cc(Sc2ccc(F)cc2)nc(Sc2ccc(F)cc2)n1 480279 JUIITCJXTHLCNX-UHFFFAOYSA-N 346.427 5.366 0 40 EKAB Cc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 1505398 VGXWUQMODPWJNK-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1cccc(Cc2ccccc2C(=O)c2cccc3ccccc23)c1 1654319 UAYJBAFNBPMNBQ-UHFFFAOYSA-N 336.434 5.970 0 40 EKAB Br/C(=C(\Br)c1ccccc1)c1ccccc1 1670916 XNJYRGMCZCPTJE-YPKPFQOOSA-N 338.042 5.302 0 40 EKAB Cc1cc(SCc2ccccc2)nc(SCc2ccccc2)n1 1675973 JIPRQMKMDVRCEV-UHFFFAOYSA-N 338.501 5.370 0 40 EKAB c1csc(-c2n[nH]c(-c3cccs3)c2-c2nc3ccccc3[nH]2)c1 3412859 GATRWZUIKSARDU-UHFFFAOYSA-N 348.456 5.410 0 40 EKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)C1CCCCC1 4072474 FDZZPVPQZSSZOJ-UHFFFAOYSA-N 326.874 5.044 0 40 EKAB Cc1cc(C)c(OCCOCCOc2c(C)cc(C)cc2C)c(C)c1 4472850 YAOVUGILNTYKDM-UHFFFAOYSA-N 342.479 5.012 0 40 EKAB Clc1ccc(-c2cnn(-c3nc(-c4ccccc4)cs3)c2)cc1 6252574 JQSLKVRIYQIKBU-UHFFFAOYSA-N 337.835 5.316 0 40 EKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc2ccccc12 7995671 DPWUICFOZNCZSN-UHFFFAOYSA-N 344.439 5.145 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2C)c1 12857271 VWRQUCJWXCWJGK-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1oc(-c2ccccc2)nc1COc1cc(Cl)ccc1Cl 14730804 RZPOSLQJFPOUEH-UHFFFAOYSA-N 334.202 5.536 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(C)c1 80344931 JTKIRUUHGJTEJK-HZPDHXFCSA-N 334.246 5.352 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)COc2cccc3ccccc23)cc1C 223451051 YFGHNFVXMHLSNX-SFHVURJKSA-N 347.458 5.021 0 40 EKAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(Cl)c1 225001124 BUCQOEQVWDBWKC-AWEZNQCLSA-N 329.871 5.437 0 40 EKAB Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1 225638478 KKIMQLBVBCSHBD-XMMPIXPASA-N 343.470 5.060 0 40 EKAB Cc1cc(C)c2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 248075860 IGJPANQVKYWNCK-JBISBCIJSA-N 347.458 5.298 0 40 EKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1ccccc1 409115956 KBAXTGOXKZRPEW-UHFFFAOYSA-N 333.431 5.195 0 40 EKAB Cc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1C 116697 UNXWHEKNJQKQJW-UHFFFAOYSA-N 331.463 5.150 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)c(C)c1 385392 ZMQNXUYIFLDVCQ-QGZVFWFLSA-N 347.433 5.852 0 40 EKAB N=C(N)SCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1732083 LJUMGKODERVHSL-UHFFFAOYSA-N 338.474 5.080 0 40 EKAB Cc1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1 4330755 KNZVMHSHKPIACH-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB O=c1c2ccc(F)cc2sn1-c1cc(Cl)c(Cl)cc1Cl 4593634 MDVAZDJPBSDPBS-UHFFFAOYSA-N 348.613 5.152 0 40 EKAB Cc1c(Cl)cccc1NC(=O)CCCOc1ccc(Cl)cc1 5697197 OOJIVSKHCSFURP-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB CCCCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1O 5850192 GZNPGEIZAACBGI-UHFFFAOYSA-N 334.371 5.254 0 40 EKAB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc3ncsc3c2)cc1 12793344 PCNNOMYQUTYMFC-UHFFFAOYSA-N 348.427 5.045 0 40 EKAB CCCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 13017763 VMSPXHCPCJAKJL-UHFFFAOYSA-N 349.261 5.722 0 40 EKAB CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 13507054 MBMBGCFOFBJSGT-XZDHFIPXSA-N 328.496 6.549 0 40 EKAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(C(C)(C)C)cc1)CC3 15842020 LAVZZUINAOCTSR-UHFFFAOYSA-N 344.458 5.044 0 40 EKAB CC(C)(C)c1cc(/C=C2\SC(=S)N=C2O)cc(C(C)(C)C)c1O 17042869 WBDPSYDYYOULLK-LCYFTJDESA-N 349.521 5.316 0 40 EKAB CC[C@H](C)c1ccccc1OCCNc1cccc(O[C@H](C)CC)c1 19737543 WEMFBHYPLAWRED-ZWKOTPCHSA-N 341.495 5.868 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2C)cc1 20046025 YFWJSAQVPJHJHL-LJQANCHMSA-N 325.452 5.134 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C 20106217 RODYRKYYXVWXHY-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB Cc1cc2occ(CC(=O)Nc3ccccc3Cl)c2c(C)c1Cl 39892979 OPYKDUSYFTVNAS-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](F)[C@]4(C)[C@H]3CC[C@@]21C 77292662 AKXMLSPPIQRPMU-KFEVXASFSA-N 334.475 5.075 0 40 EKAB in-vitro Cc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1F 96171069 FPYVUDBPURYNCX-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2SC(C)C)c1 113959091 JACLCGOCIXHXFI-MRXNPFEDSA-N 327.493 5.295 0 40 EKAB O=C(Nc1ccc(F)c(Cl)c1)/C(=C/c1ccco1)c1ccccc1 218099995 ZJGXMNYUGLPYMI-FOWTUZBSSA-N 341.769 5.251 0 40 EKAB S=C(NCCCSC1CCCCC1)Nc1ccccc1Cl 225589685 WMZPPZAXMLROGL-UHFFFAOYSA-N 342.961 5.082 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1 225702287 CBWDELFMQONEGO-FQEVSTJZSA-N 335.488 5.035 0 40 EKAB CC[C@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(C)c(C)c1 225709256 ZPAWDAUJWCSQSQ-SFHVURJKSA-N 326.509 5.358 0 40 EKAB O=C(Nc1ccccc1Cl)N[C@H](c1ccsc1)c1cccs1 390827219 VBPBEXFGTKHTCC-OAHLLOKOSA-N 348.880 5.374 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CCCC1 94641 NEEMUZPSMJZFPW-UHFFFAOYSA-N 334.246 5.444 0 40 EKAB CCCOc1ccc2cc(C(=O)c3ccc(Cl)cc3Cl)oc2c1 3495876 DDPACSACTVMBJE-UHFFFAOYSA-N 349.213 5.759 0 40 EKAB Fc1ccc(COc2cccc(-c3cnc4ccccc4n3)c2)cc1 4610494 PJGCUZQWJQZUBW-UHFFFAOYSA-N 330.362 5.015 0 40 EKAB Clc1cccc(NCNc2cccc(Cl)c2Cl)c1Cl 5567498 KZSYVMUYJSAHLZ-UHFFFAOYSA-N 336.049 5.782 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3nc4ccccc4s3)o2)cc1C 6503782 CVLRDQVALQGBOR-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB O=C(Nc1cccc2cccnc12)c1ccc(SC(F)(F)F)cc1 15612034 YDSXEQMWRAOTGN-UHFFFAOYSA-N 348.349 5.099 0 40 EKAB Cc1ccc(-c2nn(C)c(-c3ccc(C)cc3)c2Br)cc1 17071343 GRLHLAGKZZOKPQ-UHFFFAOYSA-N 341.252 5.133 0 40 EKAB Cc1cc(C)c([C@@H](C)Sc2nnc(-c3ccoc3C)n2C)c(C)c1 40157822 KDENXGPRXCHOHG-OAHLLOKOSA-N 341.480 5.162 0 40 EKAB Cc1cc2[nH]c(-c3cc(N)c(Cl)cc3Cl)nc2cc1Cl 73634791 VXNWHCDFGUNVAA-UHFFFAOYSA-N 326.614 5.081 0 40 EKAB Cc1nc(CNC(CCc2ccccc2)CCc2ccccc2)oc1C 95943578 GJHRUWCYOQDMLJ-UHFFFAOYSA-N 348.490 5.015 0 40 EKAB CCc1ccc(CC)c(CNC(=O)c2ccc(-c3ccccc3)cc2)c1 225558230 PJZTVYFFRUSYGD-UHFFFAOYSA-N 343.470 5.408 0 40 EKAB CCCCOc1c(C)cc(NC(=O)C2(OC)CCCCCC2)cc1C 225632300 YNOZSVHKBPIPBR-UHFFFAOYSA-N 347.499 5.160 0 40 EKAB CCc1ccc(NCc2cccc(OCc3ccccc3F)c2)cc1 409118480 NLWJUVBMLNKLCP-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB Cc1ccc2nc(-c3ccsc3)c(Nc3ccc(C(C)C)cc3)n2c1 427512 QOHMBDGDDHZINW-UHFFFAOYSA-N 347.487 6.238 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1c(-c2ccccc2)cc2ccccn12 1454516 GNNAXMAOAOYWFL-UHFFFAOYSA-N 346.817 5.512 0 40 EKAB Cc1c(Cl)cccc1NC(=O)CSc1ccc2ccccc2c1 4886673 XRRBNBNTDQHFNV-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB Cc1oc(-c2ccccc2Cl)cc1C(=O)Nc1ccc(F)cc1 5033266 GESFMGYTJPJNLL-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB Cc1cc(C)cc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 5034768 FMZKHMRIDINBQQ-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1cccc(Sc2ccc(NC(=O)Nc3ccccc3)cn2)c1 5798985 OIEQTLVCUORKJG-UHFFFAOYSA-N 335.432 5.185 0 40 EKAB CC(C)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 6307498 OXTDPJCEGZKQPB-HAVVHWLPSA-N 341.454 5.989 0 40 EKAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 6369052 QTRZWDFGDJCZLY-UHFFFAOYSA-N 345.829 6.231 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1C(C)C 7995921 GFANEGGNXAPGSJ-UHFFFAOYSA-N 336.460 5.494 0 40 EKAB C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl 13810583 JSGCDAKRIPGQSF-FVEFGIFQSA-N 348.273 5.220 0 40 EKAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 14256998 ZDSKALAEIWNMOE-OAHLLOKOSA-N 339.460 5.154 0 40 EKAB C[C@@H](Sc1ccccn1)C(=O)n1c2ccccc2c2ccccc21 14608349 BEYAJHCZNOKQQS-CQSZACIVSA-N 332.428 5.011 0 40 EKAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)C1(C)C 16138638 INODLQKPSMXPAZ-UXHICEINSA-N 347.458 5.095 0 40 EKAB Brc1ccc(/C=C\c2ccc(Br)cc2)cc1 32098760 JEHMPNUQSJNJDL-UPHRSURJSA-N 338.042 5.382 0 40 EKAB CSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 44087758 DLGDTINMVRDBFP-UHFFFAOYSA-N 348.393 5.588 0 40 EKAB Cc1ccc(C)c(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 44844439 YVKSOQGNVPAKLL-XMMPIXPASA-N 343.470 5.060 0 40 EKAB c1csc(-c2nnc(SCc3csc(C4CCCC4)n3)o2)c1 64025128 RZTHHCGNHLMOLX-UHFFFAOYSA-N 349.506 5.205 0 40 EKAB CSc1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 71326223 PIZCJWREWKTGLL-UHFFFAOYSA-N 326.849 5.010 0 40 EKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1SC(C)(C)C 72217418 OLYFSZPPBIRLME-CQSZACIVSA-N 336.501 5.044 0 40 EKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(C)cc2)C1=O 214504085 AQSWTHFLMBWHAT-BLAZZTHISA-N 349.455 5.178 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Cc1cccc2ccccc12 224941432 QQCKUFLDRSUOIS-QZTJIDSGSA-N 325.496 5.351 0 40 EKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1 225667881 CDOWBEUSBJZJCV-UHFFFAOYSA-N 347.499 5.180 0 40 EKAB Cc1cc(-n2cccc2)cc2nc(-c3cc(F)c(F)cc3Cl)oc12 226248680 UXJGHDVFTZDNET-UHFFFAOYSA-N 344.748 5.526 0 40 EKAB C=C1c2cc(C)c(C)cc2NC(=O)N1c1ccc(Cl)c(Cl)c1 169731 RBIIUWMFFSGOPN-UHFFFAOYSA-N 333.218 5.633 0 40 EKAB Cc1ccc(C)c(NC(=O)C2c3ccccc3Oc3ccccc32)c1 182589 JOCFXDWJEBSZKA-UHFFFAOYSA-N 329.399 5.180 0 40 EKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1Cl 582878 AXANJKKXWNRADW-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB Cc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2248563 VIJYHUYYAJEIMU-UHFFFAOYSA-N 342.427 5.006 0 40 EKAB CCc1cccc(C)c1NC(=O)c1cccc(Oc2ccccc2)c1 3335854 BGFOJYWQPJGVAD-UHFFFAOYSA-N 331.415 5.602 0 40 EKAB Cc1ccc(C2(c3ccc(C)o3)CCC[C@](C)(c3ccc(C)o3)C2)o1 3852004 RDMIUZIWGGIJFL-NRFANRHFSA-N 338.447 6.209 0 40 EKAB biogenic CCc1cc2c(cc1[C@]1(C)OCC[C@H](C)O1)C(C)(C)CCC2(C)C 4589061 CTSMPXQDFPRJET-OYHNWAKOSA-N 330.512 5.596 0 40 EKAB CCCN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 6657373 DEYCXSCNLPINFK-XNTDXEJSSA-N 347.823 5.046 0 40 EKAB C[C@@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 6896551 AATAWSBQBBKLKG-YCRPNKLZSA-N 346.405 5.028 0 40 EKAB CCc1cccc(C)c1NC(=O)CSCc1cc(C)cc(C)c1 7208983 OURLNEHTQXJPSR-UHFFFAOYSA-N 327.493 5.046 0 40 EKAB O=C(O)/C(=C/c1cccc2ccccc12)Sc1nc2ccccc2o1 7602987 AZKZMRGTBUIOHZ-PDGQHHTCSA-N 347.395 5.199 0 40 EKAB O=C(O)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 20242200 YWUWNQNFZVHNMS-HYARGMPZSA-N 347.439 5.428 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl 20459855 OGOUVVBLFGPYBX-OAHLLOKOSA-N 349.883 5.248 0 40 EKAB O=c1cc(-c2cccc(F)c2)oc2cc(OCc3ccccc3)ccc12 32634065 HAMRGJJQCNTHPG-UHFFFAOYSA-N 346.357 5.178 0 40 EKAB biogenic COc1ccc(CNc2ccc(C)c(Cl)c2)cc1Br 35038850 KTBLLJSLJTXVMA-UHFFFAOYSA-N 340.648 5.032 0 40 EKAB Cc1ccc(Oc2ccc3[nH]cc4c3c2C(=O)c2ccccc2-4)cc1 36559045 XSLYAWKCLGELPW-UHFFFAOYSA-N 325.367 5.480 0 40 EKAB Cc1cc2occ(CC(=O)Nc3ccc(Cl)cc3)c2c(C)c1Cl 39892989 XIQXAMCQBOYZHF-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB Cc1ccc(-c2ccsc2C(=O)N[C@H](C)Cc2cccs2)cc1 84171885 DVIUGTYCMVQAOZ-CQSZACIVSA-N 341.501 5.146 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1cc(Cl)ccc1Cl 90484819 RQVYMHLLBTYZLI-UHFFFAOYSA-N 327.210 5.891 0 40 EKAB C[C@@]12CC3CC(Nc4nc(Cl)nc5ccccc45)(C1)C[C@@](C)(C3)C2 100365471 KDJSRQQEECHROQ-LEVRYPNCSA-N 341.886 5.444 0 40 EKAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)CC(Cl)=C(Cl)Cl)C2 100583983 INCZUJUVFSJFCB-PJCOJXEDSA-N 325.663 5.020 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1 225748830 HFXOGGTZSOJBMQ-NRFANRHFSA-N 349.515 5.426 0 40 EKAB COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]12C 247855174 TWPKVIVCLJTFPY-FIRPJDEBSA-N 334.500 5.040 0 40 EKAB biogenic,in-vitro CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC[C@H](C)C1 260814494 JOKFQDMHTZUNEH-LUQKVYGDSA-N 347.499 5.096 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408625976 YWWSQXFCBCQEMC-UHFFFAOYSA-N 343.785 5.608 0 40 EKAB Cc1cc(SCC(=O)c2ccc(C(C)C)cc2)nc2ccccc12 76376 MPFNEMNTBXDNFK-UHFFFAOYSA-N 335.472 5.642 0 40 EKAB COc1ccc(-c2nc3c(C)cccn3c2NC2CCCCC2)cc1 320008 APBNJTHRANIAMD-UHFFFAOYSA-N 335.451 5.063 0 40 EKAB COc1ccc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc12 1593179 LVTMICLIXRYVSA-UHFFFAOYSA-N 342.394 5.241 0 40 EKAB Cc1ccccc1COc1c(-c2ccccc2)oc2ccccc2c1=O 1789910 SGVLXQKTRIQZHU-UHFFFAOYSA-N 342.394 5.347 0 40 EKAB Cc1ccc(Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2193979 NZZBJXPRVDIIKU-UHFFFAOYSA-N 349.286 6.093 0 40 EKAB CC(C)Cc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 4027338 HYQKNKPJTXUTTH-SFHVURJKSA-N 337.507 5.826 0 40 EKAB biogenic O=C(Nc1ccccc1Cl)c1ccccc1OCc1ccccc1 14035471 OLDXXPIZSKXGSL-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccccc2C)cc1 20046028 YFWJSAQVPJHJHL-IBGZPJMESA-N 325.452 5.134 0 40 EKAB O=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2Cl)o1 32721964 XSTSJAFUKPKPEB-UHFFFAOYSA-N 346.213 5.183 0 40 EKAB Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(C)c1 40095777 DUVLPROSHLELJJ-SFHVURJKSA-N 326.415 5.120 0 40 EKAB Cc1ccc(-c2nn3c(Nc4ccccc4)cc(C)nc3c2C)cc1 40216896 TVHCJVFJUORPRX-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(C)cc1 41005022 GTGISLIGNOZERF-UHFFFAOYSA-N 344.414 5.126 0 40 EKAB C1=C[C@H]2C[C@H]1CC21COC(c2ccc3oc4ccccc4c3c2)OC1 102451898 XKPRGYDWDGPTBV-ZAJNWJNPSA-N 332.399 5.214 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)NC1CCCCCCC1 225333844 SUFHXNGCYHGVCJ-UHFFFAOYSA-N 328.283 5.155 0 40 EKAB COc1cc(C)c(C(=O)Nc2cccc3ccccc23)cc1C(C)C 225655451 KNHMJHGERXBFID-UHFFFAOYSA-N 333.431 5.533 0 40 EKAB CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)[C@H](O)CC(=O)O 248257548 LINWKSYGMQNQNZ-LWYYNNOASA-N 342.564 5.897 0 40 EKAB Cc1ccc(C)c(NC(=O)CN(C2CCCCC2)C2CCCCC2)c1 408581497 IOZJNAPRNDQSQL-UHFFFAOYSA-N 342.527 5.209 0 40 EKAB O=C(c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1F 408605197 XMFXPAMMJOBPEA-UHFFFAOYSA-N 347.998 5.126 0 40 EKAB Fc1cccc(COc2ccc(CNc3ccc(Cl)cc3)cc2)c1 409182749 NOHZYFJBRHWXKL-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCOc1cccc2cc(-c3cc(=O)oc4c(C)c(C)ccc34)oc12 490054 WZEUAWMPIIRBSX-UHFFFAOYSA-N 334.371 5.222 0 40 EKAB biogenic FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)cc3)cn2c1 712177 HHQUNWKNUSQMFE-UHFFFAOYSA-N 331.124 5.327 0 40 EKAB Cc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)c1ccccc1 4129660 ZQWLATGCSWCDLD-UHFFFAOYSA-N 349.455 5.157 0 40 EKAB c1csc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)c1 4247987 WIPFNUCTWXNWNH-KDOFPFPSSA-N 338.457 5.052 0 40 EKAB O=C(Oc1ccc2ccccc2c1)c1sc2ccccc2c1Cl 4351040 ATTQOPXWPUILIG-UHFFFAOYSA-N 338.815 5.927 0 40 EKAB Cc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2sccn12 4734355 NKVYYQNLSYZWDJ-UHFFFAOYSA-N 335.432 5.129 0 40 EKAB CCc1nc(SCc2cccc(C)c2)c2oc3ccccc3c2n1 5556018 KQDSGQQHUYJYHB-UHFFFAOYSA-N 334.444 5.539 0 40 EKAB CCCCc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 6653050 NYOOCCUEYPUWGQ-UHFFFAOYSA-N 341.520 5.518 0 40 EKAB COCc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 7401786 DAWLQTVHAPGUIT-UHFFFAOYSA-N 325.452 5.332 0 40 EKAB COc1c(C)cccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 9141677 YAEBNEJHNDWZOH-UHFFFAOYSA-N 344.625 5.216 0 40 EKAB CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(C(C)C)cc2)cc1 13931845 PPWKMHPXDSKSPD-MRXNPFEDSA-N 340.536 5.981 0 40 EKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 14665273 QEXXZNKLGOTVJR-AWEZNQCLSA-N 345.870 5.352 0 40 EKAB CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(C)s3)nc21 17070631 XFOMOMNPTVJOGW-UHFFFAOYSA-N 335.423 5.514 0 40 EKAB CCCCCCc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 43214339 CJOYQDGLMRPXNM-UHFFFAOYSA-N 346.511 5.896 0 40 EKAB Clc1ccc(-c2nc3cc(Cl)ccc3o2)c(Br)c1 73638133 TUHOUAKNVIPZCR-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB CC(C)(C)c1ccc(C(=O)N2CCS/C2=C/c2cccs2)cc1 225233640 PHMWRGIZZVEACH-GHRIWEEISA-N 343.517 5.233 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1C 225713609 MEMVCRKBOPGXEP-FQEVSTJZSA-N 340.536 5.865 0 40 EKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(F)cc2F)cc1 225806814 WCWBDAOCGWRXMT-UHFFFAOYSA-N 348.462 5.007 0 40 EKAB Cc1cccc(NCc2ccc(OCc3ccccc3F)cc2)c1C 409120999 VCHOQHLZZLACRA-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB Cc1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1Cl 409175736 BIWQEERDGKDONF-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB O=C(Cc1cccc2ccccc12)N1CCCC[C@H](c2ccccc2)C1 585253582 ITVNXMSRQSOETC-QFIPXVFZSA-N 343.470 5.179 0 40 EKAB Cc1ccc2cccc(Oc3nc(C)nc4sc5c(c34)CCC5)c2n1 38156 UPCDHPKIJGRPCC-UHFFFAOYSA-N 347.443 5.137 0 40 EKAB Cc1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccc(C)cc2C3(C)C)cc1 538014 NTKPPAJORJYSNA-ABSORMQESA-N 346.474 5.171 0 40 EKAB biogenic O=C(CN(Cc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 1706382 CWFAQKHVRVEOJD-UHFFFAOYSA-N 335.834 5.230 0 40 EKAB Clc1ccc2nc(-c3ccsc3)c(Nc3ccccc3)n2c1 3911547 BZXDNMSUHRLZIH-UHFFFAOYSA-N 325.824 5.460 0 40 EKAB CC(C)C1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 4143644 QTCCWCRPTWVSSV-USSLWURLSA-N 337.507 5.074 0 40 EKAB O=C(CCCc1cccs1)Nc1ccccc1Cc1ccccc1 5938865 VNDITLBNUDMETI-UHFFFAOYSA-N 335.472 5.300 0 40 EKAB CCCCOc1cccc(C(=O)Nc2ccccc2[C@H](C)CC)c1 6264470 CDPBBRWHQUXUCU-MRXNPFEDSA-N 325.452 5.631 0 40 EKAB Cc1oc2ccccc2c1CN(Cc1ccccc1)Cc1ccncc1 13989241 BCWNBROWRKUCSM-UHFFFAOYSA-N 342.442 5.339 0 40 EKAB Cc1cc(C)c2oc(-c3cc(Br)ccc3Cl)nc2c1 16268703 YMKVMDPVOMEDCV-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB O=C(NC1CCCCC1)c1cc(-c2ccsc2)nc2ccccc12 26780140 QHOOPAFUZJUUIB-UHFFFAOYSA-N 336.460 5.026 0 40 EKAB Fc1ccccc1COc1ccc(CNc2ccc(Cl)cc2)cc1 33776300 DSVOOHIEKFMAKU-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc2ccccc12 44849388 LECIEIAJVXPIGK-INIZCTEOSA-N 333.431 5.369 0 40 EKAB CN(C(=O)c1ccc2ccccc2n1)c1ccccc1-c1ccccc1 64382029 JIBYGJQLUPDCQU-UHFFFAOYSA-N 338.410 5.178 0 40 EKAB Clc1cc(-c2ccc(Br)cc2)nc(-c2ccccc2)n1 78401157 OUZCFIOXNKIGMG-UHFFFAOYSA-N 345.627 5.227 0 40 EKAB Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2 102718418 KXCOLTTXVHPDEA-INIZCTEOSA-N 342.826 5.487 0 40 EKAB COC1=C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118924521 BISLUBSVNGTKPR-QWQRBHLCSA-N 346.511 5.101 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1 222885635 BGJJBSYWIZXINH-OAQYLSRUSA-N 339.479 5.388 0 40 EKAB CCCC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223226342 YFDAJMSARXTCFB-GOSISDBHSA-N 329.484 5.037 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1C 223502824 FLRLMQCHUHQQLB-MRXNPFEDSA-N 329.871 5.075 0 40 EKAB CCCCOc1ccccc1C(=O)Nc1ccccc1C(F)(F)F 408586507 NKZLOIZOUCFOPM-UHFFFAOYSA-N 337.341 5.137 0 40 EKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc3ccccc3c2)c1 408777862 KNFBSMGMPUIJQB-UHFFFAOYSA-N 335.472 5.329 0 40 EKAB Clc1ccc2c(c1)C[C@@H](NC1CCCC1)c1ccccc1S2 347666 OTKGNXJDWIPSJN-QGZVFWFLSA-N 329.896 5.621 0 40 EKAB Cc1c(C)c2cc3c(-c4ccc5ccccc5c4)coc3cc2oc1=O 488772 LHZDUOMXEDIQAU-UHFFFAOYSA-N 340.378 5.976 0 40 EKAB biogenic O=C(COc1cccc2ccccc12)Nc1cccc2ccccc12 508805 IIHFAUFIEKHYDH-UHFFFAOYSA-N 327.383 5.011 0 40 EKAB Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 1752607 MLHFUXPVQRRWBE-UHFFFAOYSA-N 342.748 5.620 0 40 EKAB CC[C@@H](O)C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 2060187 CXCHMIKXNMISKN-IFMALSPDSA-N 342.438 5.393 0 40 EKAB Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc(Cl)cc3)nc12 4678597 SMCGEGCUGFADKT-UHFFFAOYSA-N 342.229 5.314 0 40 EKAB C[C@H](c1nc2ccccc2s1)N(C)Cc1nc2ccccc2s1 7922420 ORAQKWYIVQSOGA-GFCCVEGCSA-N 339.489 5.099 0 40 EKAB CN(Cc1ccccc1)c1ncnc2cc(-c3ccc(F)cc3)sc12 8346265 YDIJVROFBRUEHO-UHFFFAOYSA-N 349.434 5.134 0 40 EKAB Cc1ccc2nc(-c3ccccc3)c(CN3CCC[C@H](C)C3)c(O)c2c1 8571831 LSWXHDYETMSIEK-KRWDZBQOSA-N 346.474 5.148 0 40 EKAB c1ccc2c(c1)oc1ccc(OCc3ccc4nsnc4c3)cc12 12360278 YBCJGZDMVFADMC-UHFFFAOYSA-N 332.384 5.170 0 40 EKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)[C@@H](C)CCC3)cc1 12641694 VSQAMUCSQAADSG-HNNXBMFYSA-N 347.527 6.590 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 20460368 OIWAKQYYWDUTHF-HXUWFJFHSA-N 339.479 5.442 0 40 EKAB CC[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 20512744 WSVCCIWICMJADT-KRWDZBQOSA-N 329.399 5.718 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)CSc1cccc2ccccc12 32692110 PUINMRPKQGJUTG-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB C[C@@H](CCc1ccccc1)Sc1nnc(-c2c[nH]c3ccccc23)o1 40156657 IUVQCISCOVWDOK-AWEZNQCLSA-N 349.459 5.331 0 40 EKAB CC(C)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57412469 QSIBNBFEHVSPBB-UHFFFAOYSA-N 339.826 5.106 0 40 EKAB COc1ccccc1-c1nc(CNc2cccc3ccccc23)cs1 89483974 VMFWLXBIWJKCGV-UHFFFAOYSA-N 346.455 5.584 0 40 EKAB O=C(O)CC1(CC(=O)c2ccc(-c3ccccc3)cc2)CCCCC1 95633949 RHLWJABIWSUUSA-UHFFFAOYSA-N 336.431 5.352 0 40 EKAB COc1cc(C)c([C@H](C)NC(=S)Nc2ccccc2)cc1C(C)C 223265704 KUBXJRWNMHZQHZ-HNNXBMFYSA-N 342.508 5.175 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)N[C@H]1CCCc2ccccc21 225355158 OXLHHCIDRUDWRL-SFHVURJKSA-N 348.273 5.120 0 40 EKAB O=C(NCc1cc(-c2ccco2)cs1)c1cc2ccccc2s1 1775968665 JTIKSJMRTXRLDL-UHFFFAOYSA-N 339.441 5.153 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21OCCS1 2049238349 JIFTUOBNCNREQG-QHPZEKNNSA-N 348.552 5.058 0 40 EKAB CC(C)Oc1ccc([C@H](CCN[C@@H](C)c2ccccc2)C(C)C)cc1 1825112 JUPPCYFYDOVKAA-WMZHIEFXSA-N 339.523 5.954 0 40 EKAB CCC(=O)Nc1ccc2nc(SCc3ccccc3F)sc2c1 2447067 MMRBJWLEBZDFOI-UHFFFAOYSA-N 346.452 5.076 0 40 EKAB c1ccc(CC2=NNC3(CCCCCCCCCCC3)S2)cc1 4309483 LPUKEDCRUGZQDY-UHFFFAOYSA-N 330.541 5.880 0 40 EKAB CCc1ccccc1Nc1nc(-c2ccc(Cl)cc2Cl)cs1 4607913 QSYRYWUHAGUUIG-UHFFFAOYSA-N 349.286 6.423 0 40 EKAB O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)c(F)cc1Cl 5634623 IXKDGMFZHURPSU-UHFFFAOYSA-N 343.760 5.538 0 40 EKAB Cc1ccc(-c2cc(-c3ccco3)c(-c3ccc(C)cc3)nn2)cc1 6721366 YADXVXHZTJETHP-UHFFFAOYSA-N 326.399 5.687 0 40 EKAB O=C(O)c1ccc(CNc2ccc(Oc3ccccc3Cl)cc2)o1 8702224 TZCBQOSGYYXRKG-UHFFFAOYSA-N 343.766 5.036 0 40 EKAB Cc1cccc(C)c1NC(=O)CNc1ccccc1-c1ccccc1 11618626 ATXLQHUWLKUGTA-UHFFFAOYSA-N 330.431 5.021 0 40 EKAB Cc1ccc(S(=O)(=O)Oc2cccc3ccccc23)c2ccccc12 12291306 UUUDQCGIAMDELD-UHFFFAOYSA-N 348.423 5.069 0 40 EKAB C[C@H](NC(=S)Nc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 13774749 QPRNLMCFGGJQLT-ZDUSSCGKSA-N 330.472 5.171 0 40 EKAB Cc1cc(C)cc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 13815219 ZDIIDLRMKXPAGO-UHFFFAOYSA-N 339.291 5.097 0 40 EKAB Clc1ccc(COc2ccccc2CNC2CCCCCC2)cc1 16449627 NCOHTEKDSSKJPR-UHFFFAOYSA-N 343.898 5.731 0 40 EKAB CC(C)c1ccc(-c2nc3ccc(Br)cc3s2)cc1 73638541 ITDBNIRQJDOFHR-UHFFFAOYSA-N 332.266 5.849 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl 85652014 NEHALHZCLZPZAW-UHFFFAOYSA-N 348.056 6.116 0 40 EKAB O=C(O)c1c(/C=C/c2ccco2)nc2ccccc2c1-c1ccccc1 96026313 QEYPXAKNFSXAJR-OUKQBFOZSA-N 341.366 5.363 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)CC(C)(C)C 224458617 UDXSQALUQFZAIH-IBGZPJMESA-N 341.495 5.328 0 40 EKAB COc1cccc2c1OC(C)(C)[C@H]1C[C@H](c3ccccc3)[C@H](C)O[C@H]21 257323579 WKYVROPYJUYPNH-PRIDNEQBSA-N 338.447 5.116 0 40 EKAB COc1ccc([C@@H]2CC(c3ccncc3)=Nc3ccccc3S2)cc1 134560 RECIYLDWRBXHSX-NRFANRHFSA-N 346.455 5.448 0 40 EKAB Clc1cc(Cl)c(-[n+]2nc(-c3ccccc3)cs2)c(Cl)c1 383882 JWEQKARCPXDNOH-UHFFFAOYSA-N 342.658 5.047 0 40 EKAB Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2ccccc2)cc1 562855 WABUGBDKCSNHPM-JOCHJYFZSA-N 347.483 5.684 0 40 EKAB CC[C@@H](C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccccc1 1735865 IVJKDEPTEGVUDH-WZONZLPQSA-N 343.470 5.725 0 40 EKAB C[C@H](NCCc1ccccc1)[C@@H](C)C(c1ccccc1)c1ccccc1 1836511 VUZGHCOZWVELNI-RTWAWAEBSA-N 343.514 5.675 0 40 EKAB Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(Cl)cc1 3122964 SHOPKPOOFPCCIB-UHFFFAOYSA-N 345.833 5.563 0 40 EKAB Fc1ccc2[nH]c3nc(SCCCC4CCCCC4)nnc3c2c1 4130156 MTRTVRSHTSPMJM-UHFFFAOYSA-N 344.459 5.098 0 40 EKAB Cc1ccc(-c2nc(NC(=O)c3ccccc3Cl)sc2C)cc1 6215050 RMQZUAXPAZWKRS-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CC(=O)Nc1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1 7717284 QIHVVGRYGYUQOD-RUDMXATFSA-N 328.824 5.079 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1 7989452 WITQGKPVFQOIAU-KRWDZBQOSA-N 347.414 5.193 0 40 EKAB Cc1ccsc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13036170 YEORHMXCJGDJOZ-NQIIRXRSSA-N 346.455 5.299 0 40 EKAB CC(C)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 13789321 ZJPPXXUBAWHDGQ-UHFFFAOYSA-N 338.398 5.638 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccccc1F 19879384 VYDANKDLUMDGAT-OAQYLSRUSA-N 331.394 5.212 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(F)(F)F 20045506 CBJIWYAHQSXWPL-UHFFFAOYSA-N 345.320 5.120 0 40 EKAB FC(F)(F)c1cnc(N[C@H]2CCCc3ccccc32)c(Cl)c1 25562088 MXOMMQRTMFMCHK-AWEZNQCLSA-N 326.749 5.243 0 40 EKAB CCCC(=O)Nc1nc(C)c(Cc2cc(Cl)ccc2Cl)s1 36639196 KAPXRDODHVZGNB-UHFFFAOYSA-N 343.279 5.088 0 40 EKAB C[C@@H](Cc1ccc(O)cc1)NCCC(c1ccccc1)c1ccccc1 39385321 LNJZMYPDNAJXBE-IBGZPJMESA-N 345.486 5.135 0 40 EKAB c1ccc(CN2CCC[C@H]2c2cccnc2NC2CCCCC2)cc1 72214008 FWJYLTQBJPZGLH-NRFANRHFSA-N 335.495 5.163 0 40 EKAB Clc1ccc2nc(Cc3ccc(Br)cc3)sc2c1 73638833 KCHVBKVOSIUDMH-UHFFFAOYSA-N 338.657 5.303 0 40 EKAB Cc1cccc([C@H](C)[S@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)c1 97014832 GFVLRAOCKANJDM-CCHLGUQTSA-N 339.460 5.221 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1SC 113970048 YEPZGBHBQXKTAQ-MRXNPFEDSA-N 349.883 5.166 0 40 EKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@H]1CCC(=O)O1 141350010 PCOBNCGOHMJRLU-XDJOYQOCSA-N 344.495 5.194 0 40 EKAB in-vitro Cc1nc(-c2ccccc2NC(=O)c2c(F)cccc2Cl)cs1 208007678 TXSLFLQMYOJHBH-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225717372 SODBTLJCQXYKPX-HRAATJIYSA-N 347.499 5.098 0 40 EKAB Brc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1 1012194 OOXGUEBLVZKGGI-UHFFFAOYSA-N 349.231 5.431 0 40 EKAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(Oc2ccccc2)c1 2630247 QMDPENBOGJUXGK-UHFFFAOYSA-N 337.806 5.314 0 40 EKAB CC1(C)C2=[N+](CCN3c4ccccc4C(C)(C)[C@]3(C)C2)c2ccccc21 3066063 YLOKGGNAENHJGL-DEOSSOPVSA-N 345.510 5.023 0 40 EKAB Cc1ccccc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 3139929 UMZSQXAHXVWZLU-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB CCCCCc1c2c(C)c(C(=O)OCC)nc-2cc2n1CC(C)=C2C 3668546 ZSJIGNBYTVPLEG-UHFFFAOYSA-N 340.467 5.013 0 40 EKAB CN1c2ccccc2-c2ccccc2[C@]12C=Cc1cc(Cl)ccc1O2 4645952 SSAIRRVQPJLXQX-JOCHJYFZSA-N 345.829 5.715 0 40 EKAB CCOc1cc(CNC(C)(C)C)ccc1OCc1ccccc1Cl 8254673 CZWIUHVJYRYBGW-UHFFFAOYSA-N 347.886 5.206 0 40 EKAB Fc1ccccc1NC(=S)N(C1CCCCC1)C1CCCCC1 16450403 PSIPISWCDUTBOJ-UHFFFAOYSA-N 334.504 5.490 0 40 EKAB Oc1ccc(C2(c3ccc(O)c(Cl)c3)C[C@@H]3CC[C@@H]2C3)cc1Cl 104214393 XFWTYSLRYZAOMG-VXGBXAGGSA-N 349.257 5.511 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]3OCCC[C@@H]3C[C@@H]12 118936621 ACQLULLJSPDMFX-UIVXOMHLSA-N 330.512 5.003 0 40 EKAB O=C(CCc1c(Cl)cccc1Cl)Nc1cccc2ccccc12 225344508 AIBRUUITXDHFAD-UHFFFAOYSA-N 344.241 5.718 0 40 EKAB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(C(C)(C)C)cc1 225831894 XDTCEHZLGSYXQV-LBPRGKRZSA-N 333.834 5.268 0 40 EKAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2c(ccc3ccccc32)o1 408625466 VGUIRXBGKWKYSZ-INIZCTEOSA-N 343.426 5.337 0 40 EKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2-n2cccc2)cc1 363650 UHAWWXARRSWXEY-SFHVURJKSA-N 346.474 5.418 0 40 EKAB O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)Nc1ccc(Cl)cc1 521357 PGWXJLZKWOUGMR-KRWDZBQOSA-N 343.785 5.233 0 40 EKAB Cc1nc(Oc2cccc3cccnc23)c2c3c(sc2n1)CCCC3 1514395 PSTQIBRWJZUMOB-UHFFFAOYSA-N 347.443 5.219 0 40 EKAB Cc1ccc(NC(=O)C2C[C@@H](C(C)(C)C)C[C@H](C(C)(C)C)C2)cc1 3141060 JRCGHFQHEDWYQX-QZTJIDSGSA-N 329.528 6.058 0 40 EKAB Cc1ccc(NC(=S)N(C)Cc2ccc(C(C)(C)C)cc2)cc1C 3328459 LQUSLULQTDDNGY-UHFFFAOYSA-N 340.536 5.430 0 40 EKAB C[C@H]1C[C@H](C)CN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 4614001 ODZBMQCZYLMEHC-ABSDTBQOSA-N 339.504 5.025 0 40 EKAB CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(-c2ccccc2)s1 7781516 DQXBNVCXERSFFG-JQIJEIRASA-N 347.483 5.477 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1C 8048939 QHEKFZIHXGZXOU-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CC(C)c1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1 8902948 XNOFVBQYSNEXFH-UHFFFAOYSA-N 348.324 5.119 0 40 EKAB CC(C)c1ccc(CN(Cc2cccnc2)Cc2cccs2)cc1 13569701 FOBVADCCOYIFJW-UHFFFAOYSA-N 336.504 5.469 0 40 EKAB C[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 13774748 QPRNLMCFGGJQLT-CYBMUJFWSA-N 330.472 5.171 0 40 EKAB COc1ccc(/C=C2\c3cc(C)ccc3-c3nc4ccccc4cc32)cc1 15134618 SVDGIGFMCYDCSG-HYARGMPZSA-N 349.433 6.121 0 40 EKAB CCCCC(=O)N(C)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 15670878 FOBLSOMQELMBMJ-JOCHJYFZSA-N 334.463 5.214 0 40 EKAB Cc1ccc(N[C@H](CC(=O)c2ccc(C)cc2)c2ccccc2)cc1 16291818 QHYNBBPBJGLVTG-JOCHJYFZSA-N 329.443 5.730 0 40 EKAB CCCCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20136716 LGZJZZPAEMYZCQ-UHFFFAOYSA-N 335.831 5.001 0 40 EKAB C[C@H](CCc1ccccc1)Sc1nnc(-c2c[nH]c3ccccc23)o1 40156658 IUVQCISCOVWDOK-CQSZACIVSA-N 349.459 5.331 0 40 EKAB CSc1nc(O)c2scc(-c3ccc(Cl)c(Cl)c3)c2n1 62591989 UMZAYKRJEAHAQB-UHFFFAOYSA-N 343.260 5.093 0 40 EKAB C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1cccc2ccccc12 95407525 PCMRLGDSGVRBOK-GOSISDBHSA-N 345.490 5.076 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(F)c(Cl)c1 95917301 JDVXTWUMKAWBSY-UHFFFAOYSA-N 326.754 5.502 0 40 EKAB CCC1(CC)C[C@H](NC(=O)c2ccc(C)cc2C)c2ccccc2O1 223476233 XJKVDRDJNZARTL-IBGZPJMESA-N 337.463 5.116 0 40 EKAB Cc1nc2cc(NC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2s1 408981065 YRBKYBBJMXETDD-KUHUBIRLSA-N 343.496 5.037 0 40 EKAB Cc1ccccc1NC(=O)c1sc(Cl)nc1-c1ccccc1 385380 WWKZJKKKZHIPNU-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2714837 JTHDMFJVECJEHF-UHFFFAOYSA-N 342.446 5.300 0 40 EKAB CC(C)N(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1 3257733 ILTKRVGHWBUXIC-UHFFFAOYSA-N 333.884 5.015 0 40 EKAB Cc1ccccc1COc1ccccc1C(=O)Nc1ccccc1C 3326266 ANUDGOXLMHCPCI-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CC(C)NC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 4023618 HRROJQJBNRGRQT-JKCUGDFGSA-N 347.587 5.148 0 40 EKAB COc1ccccc1NCC(=O)OC1CCCCCCCCCCC1 4455835 QXQAVKVTGCOFCF-UHFFFAOYSA-N 347.499 5.324 0 40 EKAB O=C(c1ccccc1)c1cnc2cc(Cl)ccc2c1-c1ccccc1 4568132 XWSUCUJRCKLHFM-UHFFFAOYSA-N 343.813 5.786 0 40 EKAB O=C(CCNc1ccc(F)cc1)c1ccc2c(c1)oc1ccccc12 4698514 RQRPXJQLCOHQIJ-UHFFFAOYSA-N 333.362 5.410 0 40 EKAB C[C@H](Oc1cccc(Cl)c1Cl)c1nnc(-c2ccccc2)o1 5281575 IVJFHZMPALUANA-JTQLQIEISA-N 335.190 5.183 0 40 EKAB CCn1c2ccccc2c2cc(CNCc3ccccc3Cl)ccc21 6871195 QYPFFVQNZUNESS-UHFFFAOYSA-N 348.877 5.758 0 40 EKAB O=C(CCSCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 7685466 SZIZPGGNQSLOOJ-UHFFFAOYSA-N 340.275 5.255 0 40 EKAB CC(C)(C)[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccs1 58404295 CKJTVMLTVQSNKF-AWEZNQCLSA-N 342.386 5.074 0 40 EKAB C[C@H](CN(Cc1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 68605845 OWUPTAZEPQQUSB-LJQANCHMSA-N 340.470 5.978 0 40 EKAB CCSc1ccccc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223474495 AMOIOZPGKIVEND-MRXNPFEDSA-N 327.493 5.215 0 40 EKAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1 224994751 LMEJICWEEOMGSW-UHFFFAOYSA-N 349.861 5.491 0 40 EKAB CCC1(CC)C[C@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2O1 225120786 WWSCOKSBYJILMD-KRWDZBQOSA-N 343.854 5.152 0 40 EKAB COc1cc(C(=O)C[C@H](C)CC(C)(C)C)ccc1Br 575362181 LRYUSUGILNUNLJ-NSHDSACASA-N 327.262 5.103 0 40 EKAB COc1cc(C)c(/C=C2/Sc3ccccc3NC2=O)cc1C(C)C 1530247425 GIDPICZMBZHLGP-YBFXNURJSA-N 339.460 5.212 0 40 EKAB Cc1ccc2oc(-c3cc(NC(=O)CC(C)C)ccc3Cl)nc2c1 188965 IWTYEAHFBRQIQO-UHFFFAOYSA-N 342.826 5.441 0 40 EKAB OCCn1c2c(Cl)cc(Cl)cc2c2cc(Cl)cc(Cl)c21 501874 UCNFQTQKGILYBX-UHFFFAOYSA-N 349.044 5.400 0 40 EKAB COc1cccc(-n2c(-c3ccccc3)nc(=S)c3c2CCCC3)c1 544374 ZCEQJCFTKFOGPH-UHFFFAOYSA-N 348.471 5.156 0 40 EKAB Cc1ccc2oc(-c3cccc(-c4nc5cc(C)ccc5o4)c3)nc2c1 552676 VYGLDYGFHNZGDB-UHFFFAOYSA-N 340.382 5.920 0 40 EKAB Cc1ccc(-c2nc(NCCc3ccccc3)c3ccccc3n2)cc1 949542 CMYSICNTODJGOV-UHFFFAOYSA-N 339.442 5.260 0 40 EKAB Cc1cc(=O)oc2c1ccc1occ(Nc3cccc4ccccc34)c12 1437169 NODVYOMCEIBQSQ-UHFFFAOYSA-N 341.366 5.744 0 40 EKAB CCCCc1cc(=O)oc2cc(C)c3c(-c4ccccc4)c(C)oc3c12 2091251 LMWJQPSCVCNELW-UHFFFAOYSA-N 346.426 6.166 0 40 EKAB biogenic CCOC(=O)c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1 3282744 MVMCHSJBLIYGGI-UHFFFAOYSA-N 349.411 5.400 0 40 EKAB c1ccc(-c2nc3ccccc3nc2-c2cccc3ccccc23)cc1 3844979 ARKIYVGHHRXYAR-UHFFFAOYSA-N 332.406 6.117 0 40 EKAB biogenic CC1=Nc2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C12 4737033 JXTWEMZHHIGFJE-CQSZACIVSA-N 336.822 5.908 0 40 EKAB CCSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C(C)(C)C)C3 4847504 KNGYUHUABZHXAM-GFCCVEGCSA-N 346.565 5.832 0 40 EKAB CCCCOc1ccc([C@H](C)c2cc3c(cc2OCC)OCO3)cc1 5784104 RNLSYWVUGSLWQN-HNNXBMFYSA-N 342.435 5.145 0 40 EKAB O=C(c1ccc(F)cc1)c1cnc2ccccc2c1-c1ccccc1 6242471 YNHYOLRKZAKFAQ-UHFFFAOYSA-N 327.358 5.272 0 40 EKAB CCC(=O)Nc1ccc2nc(SCc3ccc(C)cc3)sc2c1 8673821 INZXJQYFXQMNAN-UHFFFAOYSA-N 342.489 5.246 0 40 EKAB Clc1ccccc1CSc1nc(-c2ccccc2Cl)n[nH]1 9197931 JHVPPLOJODIJFR-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2ccc(C)cc2C)c2ccccc2)cc1 15322031 KXIKKBMWMACGJH-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc3ccccc23)c1 19932693 CTAIWRPOVKJDFQ-KRWDZBQOSA-N 333.431 5.171 0 40 EKAB Cc1nc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s1 32131503 MYOFVGKCRHQTHV-UHFFFAOYSA-N 327.452 6.453 0 40 EKAB CC(C)[C@@H](NCc1csc(-c2ccsc2)n1)c1cccs1 32764883 BHWYUNYYRQZXRA-OAHLLOKOSA-N 334.535 5.420 0 40 EKAB Cc1cccc2sc(Nc3nc4cc(C(C)(C)C)ccc4o3)nc12 57352857 NVFUMTDHZOBAAU-UHFFFAOYSA-N 337.448 5.787 0 40 EKAB Clc1ccc([C@H](Cn2ccnc2)OCc2ccccc2)c(Cl)c1 103184933 CSENVQMNWOFZIZ-SFHVURJKSA-N 347.245 5.148 0 40 EKAB in-vitro CC(C)Oc1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1 219741100 ITOMKCZNYVNWDY-UHFFFAOYSA-N 339.435 5.048 0 40 EKAB CCc1cccc(C)c1NC(=O)CCc1ccc(Cl)c(Cl)c1 225327545 LVCRAMSYHQBUIX-UHFFFAOYSA-N 336.262 5.436 0 40 EKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(C)c2)cc1 408581498 XIMGEPVRHOBHGZ-UHFFFAOYSA-N 336.460 5.242 0 40 EKAB CCOc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1Cl 408585701 HKXAXUMOUULQQE-UHFFFAOYSA-N 344.625 5.298 0 40 EKAB CC[C@H](C(=O)c1ccc(Br)c(Cl)c1)c1ccccc1 575362111 CTRMMHJQQBFKTE-ZDUSSCGKSA-N 337.644 5.479 0 40 EKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(Cl)cc1 141418 YLXSLFPADVJBLX-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB O=C(CSCc1ccccc1)N(c1ccccc1)c1ccccc1 367204 OJSBERFEMPVYCS-UHFFFAOYSA-N 333.456 5.285 0 40 EKAB Cc1cc(C)n2c(Nc3ccccc3C)c(-c3ccccc3)nc2n1 428786 LXYYVJGLXIZXAH-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB Cc1ccccc1-c1nc2nc3ccccc3nc2n1CCC(C)C 539889 AJPUBVKSZFBORK-UHFFFAOYSA-N 330.435 5.001 0 40 EKAB CCCCCC(=O)Nc1ccc(-c2nc3cc(OC)ccc3o2)cc1 4705254 BCUZUGKEGQDJLX-UHFFFAOYSA-N 338.407 5.022 0 40 EKAB O=C(c1ccccc1)[C@@H]1N=NC[C@@H]1c1ccc(-c2ccccc2)cc1 4726299 DAQAQXWQXZLCOB-NHCUHLMSSA-N 326.399 5.155 0 40 EKAB Cc1ccc(OCCn2c(=S)[nH]c3ccccc32)c(C(C)C)c1 5687716 ZDYAAMWLXNIXQT-UHFFFAOYSA-N 326.465 5.210 0 40 EKAB c1ccc(-c2cc3c(N4CCC[C@@H]5CCCC[C@@H]54)ncnc3s2)cc1 6550974 HYAFSQVOTAVYDS-YJBOKZPZSA-N 349.503 5.517 0 40 EKAB Cc1cc(OCCN2CCCC[C@H]2c2cccnc2)cc(C(C)C)c1 6624318 WUFWLZQGLYJQJB-QFIPXVFZSA-N 338.495 5.119 0 40 EKAB biogenic Cc1ccc(Sc2ncccc2C(=O)N[C@H](C)c2ccccc2)cc1 6865068 FNFLQRYIUYEKIM-MRXNPFEDSA-N 348.471 5.032 0 40 EKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 9141083 MXRDBMCAKDNYTQ-UHFFFAOYSA-N 342.398 5.310 0 40 EKAB Fc1ccc([C@@H](Nc2ncnc3ccsc23)c2cccs2)cc1 13010324 VWLDWLPEGMJLMG-OAHLLOKOSA-N 341.436 5.093 0 40 EKAB Cc1ccc(N2C(=O)[C@H](C)SC23CCC(C(C)(C)C)CC3)cc1 15226435 PJVWUULMSQJZFS-SHPPYHEDSA-N 331.525 5.396 0 40 EKAB CCN(CC)/C(=C\Cl)c1cc(C)c2cc(C(C)C)ccc(C)c1-2 16050424 RHUFUAKPZQZPSO-MOSHPQCFSA-N 329.915 6.411 0 40 EKAB CCCCn1nc(C)c2c(C(F)F)cc(-c3ccccc3OC)nc21 17071987 LSMGGYJDUKOXLC-UHFFFAOYSA-N 345.393 5.153 0 40 EKAB CCCCc1ccc(C(=O)CCCCCCCCC(=O)OC)s1 32222068 OKYNQIZSYWZQKW-UHFFFAOYSA-N 338.513 5.567 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)SC/C=C/c1ccccc1 58156337 QWJKHPOKAUMCDK-PPYMECGQSA-N 345.895 5.422 0 40 EKAB Clc1cccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)c1Cl 73634694 AAXVNBSFPKUDEZ-UHFFFAOYSA-N 332.017 5.844 0 40 EKAB CC(C)Oc1cccc(NC(=O)CCc2cccc3ccccc23)c1 222668865 UPYFULNSEQSOQN-UHFFFAOYSA-N 333.431 5.198 0 40 EKAB Cc1ccc(C2=NN3[C@H](c4ccsc4)Oc4ccccc4[C@H]3C2)cc1 248086308 KVTYBJKOJWONMN-CTNGQTDRSA-N 346.455 5.299 0 40 EKAB CCCn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 409097181 LPKDZYHHFCNDEG-UHFFFAOYSA-N 343.883 5.301 0 40 EKAB FC(F)(F)C(Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1560301 XILCLRXELHUWLM-UHFFFAOYSA-N 339.571 6.038 0 40 EKAB C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 1773076 AEXWSMVZORVWML-INIZCTEOSA-N 325.415 5.470 0 40 EKAB Clc1nc(-c2ccc(-c3ccccc3)cc2)oc1-c1ccccc1 2154196 LDJGUNHTPYDVKY-UHFFFAOYSA-N 331.802 6.329 0 40 EKAB CC(C)c1cc(NC(=O)c2ccc(Cl)cc2)cc(C(C)C)c1O 3076242 XLLKQQBBBSTKQA-UHFFFAOYSA-N 331.843 5.545 0 40 EKAB Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 4405520 XTIRIQRCSVUTJZ-OAQYLSRUSA-N 332.834 5.696 0 40 EKAB Cc1ccc(C2(c3ccc(C)cc3)SC(=S)c3ccccc32)cc1 4525421 WGWBDUXZINPITL-UHFFFAOYSA-N 346.520 6.018 0 40 EKAB Clc1ccc(COc2ccc(CNC3CCCCC3)cc2)cc1 16401538 XNVSVBJOCYAXNB-UHFFFAOYSA-N 329.871 5.341 0 40 EKAB Cc1c(Cl)cccc1NC(=O)CSc1cccc2ccccc12 32692044 CHBCMUKDFUQUJS-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB c1ccc(CN2CCCN(Cc3ccccc3)C2c2cccs2)cc1 85826869 IDCRYSAWSPDLKT-UHFFFAOYSA-N 348.515 5.155 0 40 EKAB Cc1cccc(C)c1NC(=O)c1cc2cc3ccccc3nc2s1 223127877 LUYLVZZAUXRBQJ-UHFFFAOYSA-N 332.428 5.319 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2 223410989 UCLNUGDRYFITLB-CQSZACIVSA-N 333.456 5.058 0 40 EKAB CCc1ccccc1NCc1ccccc1OCc1ccccc1F 409112402 GGPBURLRLAIYHU-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB CCOc1ccc(CNc2cc(C)ccc2C)cc1Br 409116182 UJFNRBXFCGPXHB-UHFFFAOYSA-N 334.257 5.077 0 40 EKAB CN1/C(=C/C=C2c3ccccc3-c3ccccc32)C(C)(C)c2ccccc21 1082889419 XAXINPZVWOYXEB-KOEQRZSOSA-N 349.477 6.410 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)c1csc2c1CCCC2 254267 DILGUDBUPIIFLQ-UHFFFAOYSA-N 326.248 5.186 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc1 569603 OCZAVAMLZUDCQJ-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Cc1c(C(=O)NCCc2ccc(Cl)cc2)oc2c(Cl)cccc12 2654411 PUCKDDBETUTKAX-UHFFFAOYSA-N 348.229 5.021 0 40 EKAB Cc1nc(N[C@H]2CCCc3ccccc32)c2c3c(sc2n1)CCCC3 3287028 IJJGSMYQEGRXES-KRWDZBQOSA-N 349.503 5.368 0 40 EKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1 3446929 RDCVIHYOGJMQFG-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccccc2)cc1 6339994 SZACUFKPGKHDHN-UNOMPAQXSA-N 331.802 5.500 0 40 EKAB C[C@@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)Oc1ccccc1 15108429 PXJLOFQBIHQXIG-HNNXBMFYSA-N 345.398 5.306 0 40 EKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1 17072065 QQBWIOQIAJGOOV-UHFFFAOYSA-N 346.380 5.793 0 40 EKAB COCc1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1 22057780 DQCMJHNXFPSODZ-UHFFFAOYSA-N 329.415 5.093 0 40 EKAB in-vitro CC1(C)NC[C@@]2(CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1 39409540 XNXXTZVYIJSAOG-XCBXZHJDSA-N 345.571 5.514 0 40 EKAB O=C1Nc2ccccc2C(c2ccc(Cl)cc2)=Nc2ccccc21 95946116 OHYRKWCYRIGZHL-UHFFFAOYSA-N 332.790 5.075 0 40 EKAB Brc1ccccc1N=C(c1ccccc1)c1ccccc1 167054070 CMZCISQJGBYLDE-UHFFFAOYSA-N 336.232 5.618 0 40 EKAB CC[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 216350637 GVYJGKPQCVOYHH-NRFANRHFSA-N 337.507 5.493 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(CC)cc1 222896765 IBXMGDKDORFMII-GOSISDBHSA-N 343.492 5.157 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225653129 GPLWCYBMGVKDBX-OAQYLSRUSA-N 349.515 5.406 0 40 EKAB Cc1ccc(-n2c(C)nnc2SCc2ccccc2Cl)cc1C 409106063 QEWGZLWOFOVITQ-UHFFFAOYSA-N 343.883 5.138 0 40 EKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)C(F)(F)F 190814 SVANJIRGXAZUCV-LJQANCHMSA-N 347.380 5.070 0 40 EKAB Cc1cnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)s1 371534 ILDJKOFYYFQEOC-UHFFFAOYSA-N 343.260 5.225 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccc(COc2ccccc2)cc1 482494 NZVZEMAUQKPMLI-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CC[C@@H](c1ccccc1)O2 489831 QUBZXOAQHHPLAO-FQEVSTJZSA-N 346.426 5.047 0 40 EKAB biogenic O=C(CCc1c[nH]c2ccccc12)OCc1ccc(Cl)c(Cl)c1 566960 YAAOQVHMJYDPJJ-UHFFFAOYSA-N 348.229 5.151 0 40 EKAB CC(=O)C1(c2ccccc2)C(C)(C)C(C)(C)C(=O)C(C)(C)C1(C)C 1724935 FYXPVRGWSNSUJQ-UHFFFAOYSA-N 328.496 5.201 0 40 EKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(C)cc1 1822168 SIGLZBMVRDYIDK-UHFFFAOYSA-N 331.525 5.398 0 40 EKAB CC(=O)Oc1cc(-c2ccccc2)cc2oc(-c3ccccc3)cc12 2075015 LIWSIRSWABWJBS-UHFFFAOYSA-N 328.367 5.692 0 40 EKAB Clc1ccc(-c2ccc3cc4c(cc3n2)Cc2ccccc2-4)cc1 3177432 XFALOKSYQSFLRT-UHFFFAOYSA-N 327.814 6.126 0 40 EKAB CC(C)(C)c1cc(OC(=O)c2ccc(-c3ccccc3)cc2)ccc1O 4659264 ROFKGASQJPXVRP-UHFFFAOYSA-N 346.426 5.576 0 40 EKAB c1ccc([C@@H]2Sc3sc4ccccc4[n+]3[C@H]2c2ccccc2)cc1 4721263 NQXQWJMGTKGKEG-PMACEKPBSA-N 346.500 5.625 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5903596 MEXBTPGIJAWTMZ-IZZDOVSWSA-N 348.273 5.943 0 40 EKAB Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1 5936637 LXXQYXOAMRXPIT-UHFFFAOYSA-N 341.288 5.478 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(F)cc(F)c1 7348465 FNMXZDQTBNLIDY-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C 12274722 YLKJONMOTRTLGK-UHFFFAOYSA-N 325.795 5.469 0 40 EKAB Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c(C)s1 12579552 UTBZTVZFTNBGMA-UHFFFAOYSA-N 347.443 5.161 0 40 EKAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@@H](c2ccccc2)S1 15084842 WIPPZGVXFAUTOB-GOSISDBHSA-N 337.423 5.206 0 40 EKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(C)c1 20485470 WKXRWHZIQVXMBU-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 20489644 VQPRNAVWUPBNBO-MRXNPFEDSA-N 349.883 5.248 0 40 EKAB C[C@@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 57294281 UZUCCSMLMFNSDR-BTZRARBUSA-N 339.482 6.134 0 40 EKAB O=C(CCc1ccc(Cl)c(F)c1)c1c(Cl)cccc1Cl 85652004 OZSBAICUJJCEKX-UHFFFAOYSA-N 331.601 5.601 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1c(F)cc(F)cc1F 95917323 GGKLZEQCFZUDSO-UHFFFAOYSA-N 328.289 5.127 0 40 EKAB O=C(c1ccc(Cl)cc1Cl)c1ccccc1OC(F)(F)F 95917424 URUVATRSADGPIL-UHFFFAOYSA-N 335.108 5.123 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(SC)c1 223014305 OEOQSAXPGWQACL-KRWDZBQOSA-N 349.883 5.166 0 40 EKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(OC)CCCCCC2)cc1C 225632337 LKDJRFKYUMIGSM-QGZVFWFLSA-N 347.499 5.159 0 40 EKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225638421 WHSFGWUEMVLJDB-ZVGUJKQYSA-N 347.499 5.015 0 40 EKAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(C(F)(F)F)cc1 225753541 XMIOOBAWBCHZEV-GFCCVEGCSA-N 338.398 5.061 0 40 EKAB CCCN(c1cc(Cl)ccc1Oc1ccccc1)[C@H](CC)C(=O)O 260680854 VUMARMXOZGKUBC-MRXNPFEDSA-N 347.842 5.212 0 40 EKAB CC(=O)Nc1ccccc1SCc1ccc(Cl)cc1Cl 408528722 WEHPREWZXBQDHN-UHFFFAOYSA-N 326.248 5.244 0 40 EKAB CC(=O)c1cc2c(cc1C)[C@@H](C)CC(C)(C)N2C(=O)c1ccccc1 618257107 RGEJXGJASMDOHO-HNNXBMFYSA-N 335.447 5.130 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1coc2ccc(O)cc12 36623 OACNOXFZZQXMFL-UHFFFAOYSA-N 330.339 5.162 0 40 EKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 55105 RNXXIKOZHJKKPF-UTKZUKDTSA-N 342.442 5.279 0 40 EKAB CC(C)CCn1c(COc2cccc3ccccc23)nc2ccccc21 99297 IHAKYZAFQXDNDW-UHFFFAOYSA-N 344.458 5.815 0 40 EKAB Cc1ccc(OCc2nc3ccccc3n2CCc2ccccc2)cc1 203105 MFPICMWOALZLFF-UHFFFAOYSA-N 342.442 5.166 0 40 EKAB CSc1ccc(-c2nc3ccccn3c2Nc2ccc(C)cc2)cc1 427578 BCEHGFXIRYHIIY-UHFFFAOYSA-N 345.471 5.775 0 40 EKAB O=C(c1cc(Cl)ccc1Cl)N1CCC(Cc2ccccc2)CC1 579685 QXHGPERUFNNGKH-UHFFFAOYSA-N 348.273 5.088 0 40 EKAB ON1c2ccc3ccccc3c2C=CC1(c1ccccc1)c1ccccc1 1581141 SOXSHZOUOACRJB-UHFFFAOYSA-N 349.433 6.006 0 40 EKAB CC(=O)O/C=C1/c2ccccc2CC[C@H]1c1ccc2ccccc2c1 1599992 PNNOXIGSAALALP-PZLPMSIKSA-N 328.411 5.474 0 40 EKAB COc1ccc([C@H](CCN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 1615849 ZXMNEGRPJLYERL-MZLICYQSSA-N 349.518 5.339 0 40 EKAB CCOP(=O)(OCC)[C@@H](Nc1ccc(C)cc1)c1ccccc1 1758478 LNRXYBLFZVYDPT-GOSISDBHSA-N 333.368 5.372 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)CCCOc1ccc(Cl)cc1 1910428 OODZDYUFIJLYMD-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CCCC1 2512644 HVBPLANCGLAQCN-UHFFFAOYSA-N 333.353 5.156 0 40 EKAB Cc1cc(C)cc([C@@H]2CC(C)(O)C[C@@H](c3cc(C)cc(C)c3)S2)c1 3236234 UMRMNCQYUXAYLN-SFTDATJTSA-N 340.532 5.981 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 5428935 KQDFXLOLTLDGTB-FPYGCLRLSA-N 326.610 5.299 0 40 EKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c1 6214686 VZYORCRVCLUEFN-UHFFFAOYSA-N 339.479 5.433 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccccc2[C@H](C)CC)cc1 6264442 NTNOAPWUUTXZMZ-MRXNPFEDSA-N 325.452 5.631 0 40 EKAB CCc1ccc(OCc2n[nH]c(=S)n2[C@H](C)CCCC(C)C)cc1 6343517 GCWFBJNERWTBLJ-OAHLLOKOSA-N 347.528 5.469 0 40 EKAB O=C(Nc1nc2c(F)cccc2s1)c1ccc(-c2ccccc2)cc1 7349120 HLEYXWJNGBQGJZ-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(Cl)c1Cl 14022678 CMOTVIURACCGIC-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB CC[C@@H](CNc1ccc(O[C@H](C)CC)cc1)Oc1ccc(C)cc1 19737531 NRDIPSRMBKGZAY-MJGOQNOKSA-N 327.468 5.442 0 40 EKAB C[C@@H]1OC1(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 34071937 DOLHBKIUZSCJLD-JTQLQIEISA-N 346.270 5.387 0 40 EKAB CC(C)(C)c1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1 39379285 GCYGZXNAMAKCAV-UHFFFAOYSA-N 338.450 6.117 0 40 EKAB C[C@@H]1[C@@H](NC(=S)Nc2ccc(SC(F)F)cc2)CCC[C@H]1C 102225955 NJNXEQZYMFOLLB-SUNKGSAMSA-N 344.496 5.112 0 40 EKAB CC(C)C[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 225491758 RTCCKZIHROPHEQ-FQEVSTJZSA-N 340.536 5.884 0 40 EKAB CC(C)C1(NC(=S)Nc2ccc(OC3CCCC3)cc2)CCCC1 225869186 BEJPUJSXKFQXFS-UHFFFAOYSA-N 346.540 5.263 0 40 EKAB c1ccc([C@@H]2N=C(c3cccc(C4CC4)n3)O[C@@H]2c2ccccc2)cc1 2297735862 GJFIGMWTXXEXPF-FCHUYYIVSA-N 340.426 5.218 0 40 EKAB COc1ccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCC5)cc1 95281 MOERUTMRKVKFKB-UHFFFAOYSA-N 346.382 5.012 0 40 EKAB biogenic CCc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12 1745092 OCBBCIROPNCVJL-UHFFFAOYSA-N 325.415 5.603 0 40 EKAB Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1Cl 2570916 ZLHBKTQYJQZOKY-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB CC1(C)[C@]2(C(=O)N(c3ccccc3)c3ccccc3)CC[C@@]1(C)C(=O)C2 4185873 NKGOWKBRWRLSPL-XZOQPEGZSA-N 347.458 5.137 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 4666364 KYFBTKOBSYQJBJ-MSOLQXFVSA-N 337.507 6.141 0 40 EKAB c1ccc(-c2csc3ncnc(SCc4ccccn4)c23)cc1 8746893 ZTVNSAAXLIXDTA-UHFFFAOYSA-N 335.457 5.046 0 40 EKAB CCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 9019636 CILLEQOHMDEEAL-USSLWURLSA-N 337.507 5.266 0 40 EKAB CC(C)CCN1C(=O)c2ccccc2[C@H]1SCc1ccccc1 9425728 VIBNAWVZJPDHEQ-HXUWFJFHSA-N 325.477 5.121 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)cc(Cl)c1 14784520 LPSJLMYRKXAUER-UHFFFAOYSA-N 335.017 5.553 0 40 EKAB Clc1ccc(COc2cccc(CNCc3cccs3)c2)cc1 16399562 CZDDOZCODCYLLG-UHFFFAOYSA-N 343.879 5.270 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 20456579 DMXDJEQZNWBUPN-HNNXBMFYSA-N 343.492 5.157 0 40 EKAB Cc1cccc(C)c1NC(=O)CCCSCc1ccccc1F 33047527 YKISAXLKUHQNRY-UHFFFAOYSA-N 331.456 5.095 0 40 EKAB O=C(CC1CCCC1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 39535628 XWGLUZVKBHMALD-QFIPXVFZSA-N 333.431 5.219 0 40 EKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C)cccc1C(C)C 216271043 LHHOLUIOBUZRLP-SFHVURJKSA-N 329.415 5.054 0 40 EKAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Sc1ccc(Cl)cc1 224473812 IUZNNHSIXJWPNX-PBHICJAKSA-N 341.948 5.543 0 40 EKAB Cc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1Cl 225492785 GFSCKJGELGBCFN-GOSISDBHSA-N 346.927 5.722 0 40 EKAB Cc1cccc(C2(NC(=S)Nc3ccc(F)c(F)c3)CCCC2)c1 225860545 YTVWOJQYOVYQRU-UHFFFAOYSA-N 346.446 5.029 0 40 EKAB Cc1ccc2cc(C(=O)CCC(=O)Nc3ccccc3C)ccc2c1 408835002 XQXGVJYWYJJEEW-UHFFFAOYSA-N 331.415 5.058 0 40 EKAB COc1c(Cl)cc(CNc2cc(Cl)ccc2C)cc1Cl 409112724 CDWHRMZZPYKDKQ-UHFFFAOYSA-N 330.642 5.576 0 40 EKAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 64246 BGARGSWMWNKEGP-JOCHJYFZSA-N 342.442 5.383 0 40 EKAB Cc1sc2ncnc(Oc3ccc(-c4ccccc4)cc3)c2c1C 319794 LBYVVHOATRTITM-UHFFFAOYSA-N 332.428 5.767 0 40 EKAB O=C1CCSc2ccc(Cl)cc2N1Cc1cccc(Cl)c1 1392652 JUFXMFQBXYJNCC-UHFFFAOYSA-N 338.259 5.022 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1cccnc1 1448709 VUJJZSHDRCEVLA-NRFANRHFSA-N 347.849 5.726 0 40 EKAB Clc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 1719994 JLUOYYKTIZVFDY-UHFFFAOYSA-N 330.818 5.860 0 40 EKAB Cc1c(Cl)cccc1Nc1nc(-c2ccccc2)nc2ccccc12 1771420 XQRUDAOJGKONBF-UHFFFAOYSA-N 345.833 6.002 0 40 EKAB c1ccc(-c2nc(Oc3cccc4ccccc34)c3ccccc3n2)cc1 2679625 TUWBMBFMPUHKJO-UHFFFAOYSA-N 348.405 6.242 0 40 EKAB CCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 4506986 FRVQZQBLVSGGBZ-UHFFFAOYSA-N 340.250 5.564 0 40 EKAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 5604544 ZDCCMYWLFGHQHT-UHFFFAOYSA-N 337.806 5.025 0 40 EKAB CCOc1ccccc1NC(=O)Cc1coc2ccc(C(C)C)cc12 6809871 MHJGZXUWLUZPMO-UHFFFAOYSA-N 337.419 5.136 0 40 EKAB Cc1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 6860381 SXOULJFZLXEMCT-UHFFFAOYSA-N 345.320 5.526 0 40 EKAB CCCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 7261265 IXVJHYLMIIGNSW-UHFFFAOYSA-N 335.850 5.338 0 40 EKAB Cc1cc(Oc2ccnc3cc(Cl)ccc23)c(C(C)C)cc1Cl 7737549 NCZWKILKZVXFJY-UHFFFAOYSA-N 346.257 6.766 0 40 EKAB Fc1ccccc1COc1cccc(CNc2ccccc2Cl)c1 8380283 UBOOEWYZOJSHCH-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCCCN(CCCC)Cc1c(C)nc2c(C)cc(C)cc2c1O 8714103 VENUXVDFYHFXPL-UHFFFAOYSA-N 328.500 5.268 0 40 EKAB CCCSc1nc(C)cc(C)c1C(=O)Nc1cccc(Cl)c1 9250229 MRHXULZUUILODW-UHFFFAOYSA-N 334.872 5.106 0 40 EKAB O=C(Nc1ccc(O)c2ccccc12)c1ccc(Cl)cc1Cl 13000806 UAZXGJHNRRQATK-UHFFFAOYSA-N 332.186 5.105 0 40 EKAB Cc1cccc(C(C)C)c1NC(=S)Nc1ccc(C(C)C)cc1 13812438 CPYAKGFVSJKRHZ-UHFFFAOYSA-N 326.509 6.051 0 40 EKAB Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3F)c2cc1C 15997341 PRJGEYFLLKFRAV-UHFFFAOYSA-N 331.774 5.023 0 40 EKAB Clc1ccccc1CNc1ccc(OCCC2CCCCC2)cc1 19738559 VQEHVAVNYABXSR-UHFFFAOYSA-N 343.898 6.301 0 40 EKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)[C@H](C)c1ccccc1 25615979 YNIOYXCCHQPBSZ-CQSZACIVSA-N 338.838 5.030 0 40 EKAB Clc1ccc(Cl)c(OCc2cccc(Br)c2)c1 70131396 CNFNDYTVWBXMRJ-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl 216135044 FGUZECWJHJZPEC-IBGZPJMESA-N 339.822 5.289 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(C)c(Cl)c2)cc1 222877023 JVVWAFDFXJKOOK-SFHVURJKSA-N 331.843 5.007 0 40 EKAB CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2O1 223478514 YQRADGJBKJBDJW-IBGZPJMESA-N 337.463 5.116 0 40 EKAB CCc1ccc(CC)c(CNC(=O)CCc2cccc3ccccc23)c1 223567701 BGOFVKDSRAPHCC-UHFFFAOYSA-N 345.486 5.214 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225746666 MXGJXKDCYNZWCC-FQEVSTJZSA-N 335.488 5.016 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OCCN 271773513 DLHLOYYQQGSXCC-BHVWNTRMSA-N 347.543 5.634 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl 409115014 GMOGBRHRQFSGNL-UHFFFAOYSA-N 338.278 5.957 0 40 EKAB O=C(NCC1(c2ccccc2)CCCC1)c1ccc(Cl)cc1Cl 168954 PUCNWXITBIXDQS-UHFFFAOYSA-N 348.273 5.235 0 40 EKAB CCc1ccc([C@@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 2436760 LYZAWQOOEMUJCM-QHCPKHFHSA-N 339.442 5.412 0 40 EKAB O=C(c1cccc(CN2CCCCC2)c1)c1cc(Cl)ccc1Cl 2515031 UHTFXWVQTNURIT-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB Cc1nc2c(oc3ccccc32)c(C)c1C(=O)c1ccc(Cl)cc1 3294524 HPLGRTJNCNZBMV-UHFFFAOYSA-N 335.790 5.482 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)CS1 4040578 QOPVNDPJLOUFPN-JOFXYRRGSA-N 346.580 5.432 0 40 EKAB biogenic Cc1cc(OCCCC(=O)Nc2ccccc2C(C)C)ccc1Cl 6375456 JJKWSXYGRWSGOQ-UHFFFAOYSA-N 345.870 5.570 0 40 EKAB Cc1ccccc1COc1ccccc1C(=O)N[C@H](C)CCC(C)C 6941573 XGUSTWZKLAWFQD-GOSISDBHSA-N 339.479 5.129 0 40 EKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1F 7094370 CXCZQNDPMGPIFW-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)c(Cl)c1 12927894 ZXWDICOWWRAKNT-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709316 QBWPOIZPVGGEAQ-QGZVFWFLSA-N 347.458 5.678 0 40 EKAB CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(C)cc2)o1 17287288 OQUSAOARQLMPRD-UHFFFAOYSA-N 331.419 5.001 0 40 EKAB CC(C)c1ccc2oc(Nc3nc4cc(Cl)ccc4s3)nc2c1 57352923 XLBWCSCWCMNVKF-UHFFFAOYSA-N 343.839 5.958 0 40 EKAB CCOc1ccc2nc(Nc3nc4ccc(C)c(C)c4o3)sc2c1 57353026 JWRZIQLQOPIHCU-UHFFFAOYSA-N 339.420 5.197 0 40 EKAB CC(C)c1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc2n1 65476509 NEBSWZUVOCDAPC-UHFFFAOYSA-N 329.403 5.092 0 40 EKAB Cc1cccnc1Nc1nc(-c2cccc(Br)c2)cs1 67321964 FBERORMCMIOZPP-UHFFFAOYSA-N 346.253 5.020 0 40 EKAB C[C@@H]1[C@@H]2C[C@H]([C@H]([C@H](Nc3ccccc3)c3ccccc3)C2=O)C1(C)C 100102114 AFKLAVFLSMAXRE-DDVIMMDMSA-N 333.475 5.337 0 40 EKAB C[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 206707605 NOLABCLWPZAWQN-GOSISDBHSA-N 333.500 5.059 0 40 EKAB CCCCN(CCCC)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222545359 GFBHAMGMDYPTGW-UHFFFAOYSA-N 349.906 5.313 0 40 EKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl 224500623 PTWISEKRRHXOGJ-UHFFFAOYSA-N 343.732 5.010 0 40 EKAB Cc1ccc(COc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 226295209 BFMFAGHABCHRQT-UHFFFAOYSA-N 343.426 5.999 0 40 EKAB C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609887 IECWTSWUVZMVIW-QQTLVKQWSA-N 344.583 6.220 0 40 EKAB COc1ccc2c(c1)O[C@@](C)(CCC=C(C)C)[C@@H]1CC[C@@H](C)O[C@@H]21 257344992 ZZMKNBPXCQJTPL-NXXWWENFSA-N 330.468 5.449 0 40 EKAB Clc1ccc(-c2nc(SCc3ccccc3)n[nH]2)c(Cl)c1 408527621 PBKJZDZHGFMZJE-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB O=C(Cc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 408906405 BICLWTCSYARKQN-UHFFFAOYSA-N 333.456 5.160 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)CCc3ccccc3)cc2)cc1 575358816 FBNMWMPEHMDFJE-UHFFFAOYSA-N 328.455 6.122 0 40 EKAB CC(C)(C)c1csc(Nc2ccc(F)c(Cl)c2)[n+]1C(C)(C)C 164161 KBUHMZNMGWBPCN-UHFFFAOYSA-O 341.903 5.624 0 40 EKAB CC(C)=C[C@H]1[C@H](C(=O)OCc2ccc(Cl)c(Cl)c2)C1(C)C 1597473 PPTXHTFTKUWKRN-SWLSCSKDSA-N 327.251 5.275 0 40 EKAB Cc1ccc(-c2nc(N[C@H](C)c3ccccc3)c3ccccc3n2)cc1 1775395 JNZDOGLESVHXBU-QGZVFWFLSA-N 339.442 5.778 0 40 EKAB Cc1ccc2oc(=O)c(-c3ccccc3)c(-c3ccc(O)cc3)c2c1 2573937 VKOGRHBUMBOACV-UHFFFAOYSA-N 328.367 5.141 0 40 EKAB CCCO[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4292890 BLNQANGFOGHVAO-PQQZDNAISA-N 330.512 5.314 0 40 EKAB CNc1ccccc1C(C)(C)c1cc(-c2ccc(C(C)C)cc2)[nH]n1 7026660 YGFAKUIPRSSHLL-UHFFFAOYSA-N 333.479 5.568 0 40 EKAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13709398 LQQIJJMAOUYDCE-MRXNPFEDSA-N 349.430 5.033 0 40 EKAB CCOC(=O)c1cc2ccccc2nc1CSc1ccc(C)cc1 19909764 MSHDXJWMSHHPPP-UHFFFAOYSA-N 337.444 5.012 0 40 EKAB c1ccc(COc2cccc(CNC3C4CC5CC(C4)CC3C5)c2)cc1 22073744 MYYMZJHHIKLEBJ-UHFFFAOYSA-N 347.502 5.180 0 40 EKAB COc1cccc(CCc2ccc3ccccc3c2)c1C(=O)OC(C)C 35973645 BKWDNFUBVURJRN-UHFFFAOYSA-N 348.442 5.199 0 40 EKAB Cc1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 40159894 FFUFWENRWJYLNO-HMMYKYKNSA-N 347.845 5.828 0 40 EKAB CSc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 223246568 QTEXPCHFPOOTRO-OAHLLOKOSA-N 343.492 5.246 0 40 EKAB c1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1 409115775 HEJSEJYLRMASNC-UHFFFAOYSA-N 339.438 6.031 0 40 EKAB Cc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CCC3)cc1 1389119 IISDMQLHKDPTKA-QFIPXVFZSA-N 332.447 5.198 0 40 EKAB CCCCCc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1 1792972 PTBMMXZTQOWWRF-UHFFFAOYSA-N 342.442 5.272 0 40 EKAB Cc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)o1 3647348 UTKJMHAAJYVZNS-BZNIZROVSA-N 344.480 5.229 0 40 EKAB CC(C)(C)c1ccccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 4651050 ADBPFGUPYIJBFW-UHFFFAOYSA-N 326.484 5.074 0 40 EKAB CCCCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 5951656 YTKWKGNPDRHRNX-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 6396915 SJZLHMAWTVZIFN-UHFFFAOYSA-N 338.451 5.191 0 40 EKAB c1ccc(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)cc1 12600152 CHSOQVWERGRBKX-UHFFFAOYSA-N 326.424 5.883 0 40 EKAB biogenic CCN(C(=O)c1sc(-c2cccs2)nc1C)c1ccccc1C 32753797 SLSFKKSIMAGEEV-UHFFFAOYSA-N 342.489 5.155 0 40 EKAB COc1ccc(CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 45954082 BLXQXPUEOILUQI-UHFFFAOYSA-N 330.387 5.116 0 40 EKAB CC(C)(C)[C@@H](NCc1csc(-c2cccs2)n1)c1cccs1 84169300 RSAWAJBIGFADCD-HNNXBMFYSA-N 348.562 5.810 0 40 EKAB O=C(O)c1cc(-c2ccc(Cl)s2)nc2cc(F)c(Cl)cc12 92772970 CVGJAHNVNRGAPG-UHFFFAOYSA-N 342.178 5.107 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)C1(c2ccccc2)CCCC1 96656967 KWJHBCRWYSFJKN-UHFFFAOYSA-N 334.246 5.444 0 40 EKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc2ccccc12 222976893 PCFSSEXAVPKNOK-OAQYLSRUSA-N 333.431 5.253 0 40 EKAB Cc1cc(C)cc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1 225036932 QIEYPVMOWNOXSX-QFIPXVFZSA-N 346.426 5.045 0 40 EKAB CC[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C)cc1C 225713743 JAJLFCMVQJXMQK-KRWDZBQOSA-N 332.900 5.395 0 40 EKAB C[C@@]12CC[C@@]3(C)[C@]4(C)CC[C@H](N)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242495956 GUXFHNRYBUPJIM-KLNREHGZSA-N 347.587 5.278 0 40 EKAB Cc1cc(C)c2c(c1)N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248328992 CQIDVBWOHPMBLT-BXLRBYEISA-N 347.458 5.298 0 40 EKAB CCOc1ccc(NCc2cc(Cl)c(OC)c(Cl)c2)cc1 409119269 SHZKDMKYXLCMRA-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Cc1ccc(F)c(NC(=O)CSc2cccc3ccccc23)c1 409183346 RTLVMJUXLWPYGF-UHFFFAOYSA-N 325.408 5.018 0 40 EKAB CC(C)N(CCOc1ccccc1Oc1ccc(Cl)cc1)C(C)C 585266228 RAZVFDICMXEGEZ-UHFFFAOYSA-N 347.886 5.630 0 40 EKAB CC(C)=C[C@H]1[C@@H](C(=O)SCc2ccc(Cl)cc2Cl)C1(C)C 1665534 DKROSXYTKBNUJH-ZFWWWQNUSA-N 343.319 5.992 0 40 EKAB S=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccccc1 2187099 YDMFJYFTPXPQTD-UHFFFAOYSA-N 348.858 6.075 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cl)ccc1Cl 2585506 VHXNNVZZGMWSBN-UHFFFAOYSA-N 343.209 6.017 0 40 EKAB FC(F)(F)c1n[nH]c(-c2ccccc2)c1C12CC3CC(CC(C3)C1)C2 4171328 ZLVIPKYPRWKXLY-UHFFFAOYSA-N 346.396 5.563 0 40 EKAB Cc1ccc(SCCC(=O)Nc2ccc3sccc3c2)cc1 5191273 TYDOSCFXXCPZBD-UHFFFAOYSA-N 327.474 5.331 0 40 EKAB O=C(c1ccccc1)[C@@H](Nc1ccc2ccccc2c1)c1ccccc1 5939161 RPFSNQSNYFOHOP-QHCPKHFHSA-N 337.422 5.876 0 40 EKAB in-vitro COc1ccc(C(=O)C[C@@H](Nc2ccc(C)cc2)c2ccccc2)cc1 6389679 NRDJRTDNHDRCAE-JOCHJYFZSA-N 345.442 5.430 0 40 EKAB S=C(Nc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 6575898 FWDRGBHWJSNYRN-UHFFFAOYSA-N 338.863 5.816 0 40 EKAB Cc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 8714188 DNUPCIBCPKRFFG-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccs1 17382175 FOYCDMJDYQJTAZ-FQEVSTJZSA-N 331.444 5.152 0 40 EKAB CC(C)c1ccc([C@H]2CC3=Nc4ccccc4N=CC3=C(O)C2)cc1 18222453 BPJUTPSUIWZYDH-KRWDZBQOSA-N 330.431 5.988 0 40 EKAB Cc1ccoc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 21669015 WDDDIVDZUPCBMB-UHFFFAOYSA-N 334.400 5.117 0 40 EKAB CC(C)CCNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 36613654 NFELDLLDPYCUQG-UHFFFAOYSA-N 343.780 5.274 0 40 EKAB Cc1cc(Br)c2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 40542335 UWPZVNASSSOWGB-UHFFFAOYSA-N 344.252 5.863 0 40 EKAB Cc1ccc(C)c(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44837964 KLFRIFBQYLQMPJ-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1 57316750 AFUIJQICOJCQHT-UHFFFAOYSA-N 348.324 5.119 0 40 EKAB Cc1cc(C)c2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57352875 GRTQKCLUBYMYHP-UHFFFAOYSA-N 329.812 5.451 0 40 EKAB CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccccc1 59482617 MFBAWCDONSKEHS-UHFFFAOYSA-N 336.460 5.323 0 40 EKAB Cc1cc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)on1 69352185 LINXZLHGELDFTQ-UHFFFAOYSA-N 344.823 5.040 0 40 EKAB S=C(Nc1ccccc1Cl)NC1(c2cccs2)CCCC1 225844253 JTNWNJSGFRNIMU-UHFFFAOYSA-N 336.913 5.157 0 40 EKAB CC[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 323661 SYMFKPIIIJMTDC-CYBMUJFWSA-N 338.838 5.084 0 40 EKAB Cc1ccn2c(Nc3ccccc3C)c(-c3cccc(Cl)c3)nc2c1 427557 PNUGCBHPNTWHNS-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB CC(C)CCSc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 536611 WDUNTRTVSQRFCM-UHFFFAOYSA-N 336.526 5.419 0 40 EKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccccc1 1039616 LLAMLQAPPVHEMV-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB Clc1cc(C(Cl)(Cl)Cl)ccc1C(Cl)(Cl)Cl 1728708 URRUNMMSCQPLOQ-UHFFFAOYSA-N 347.283 5.993 0 40 EKAB in-vitro C[C@H](NCC[C@H](c1ccccc1)c1ccccc1O)c1ccccc1 2294877 PBCGLNLOJZZAQT-GHTZIAJQSA-N 331.459 5.265 0 40 EKAB CC(C)CCNc1ncnc2scc(-c3ccc(Cl)cc3)c12 3305129 LZSWABLFAZTZEU-UHFFFAOYSA-N 331.872 5.470 0 40 EKAB O=c1c(-c2ccccc2)coc2cc(OCc3ccc(F)cc3)ccc12 4056244 PACXJBPJMDUWPP-UHFFFAOYSA-N 346.357 5.178 0 40 EKAB biogenic CCCCC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 4076931 YHAJWIAZQDSSTA-UHFFFAOYSA-N 335.281 5.307 0 40 EKAB C[C@@H](C/C=C(/C1SCCS1)[C@@H](C)CC(C)(C)C)CC(C)(C)C 4792404 ZGQRHXAWTWNZJQ-GSEUPMHVSA-N 342.658 7.254 0 40 EKAB COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)cc3)n2)cc1 5423248 VUCBVXIRDFJBOX-PWHKKFIBSA-N 343.426 5.440 0 40 EKAB COc1ccc(Cl)cc1C(=O)N(C1CCCCC1)C1CCCCC1 5527164 YOBQQQGFLXQYMS-UHFFFAOYSA-N 349.902 5.456 0 40 EKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1 5602352 RBAVXCGHAIEWMF-UHFFFAOYSA-N 337.369 5.126 0 40 EKAB Cc1cccc(NC(=S)Nc2ccccc2-c2ccccc2)c1C 5699067 PHJHVJAILCFKBA-UHFFFAOYSA-N 332.472 5.779 0 40 EKAB CCC(=O)c1cn(CCCOc2cc(C)ccc2C)c2ccccc12 6308289 VGCAUHUYGMGZEQ-UHFFFAOYSA-N 335.447 5.320 0 40 EKAB O=C(Nc1cccc2ccccc12)c1ccc(N2CCCCC2)cc1 14396817 HNRVRNANUZDCAK-UHFFFAOYSA-N 330.431 5.082 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)cc1 14401705 NSCGQWTUHIRTES-UHFFFAOYSA-N 349.261 5.236 0 40 EKAB Cc1nc([C@@H](Cc2ccsc2)NCc2ccccc2F)sc1C 19559924 GLWYSOFRZAACRH-QGZVFWFLSA-N 346.496 5.034 0 40 EKAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 20481505 YLFIXYKYTWSLNH-KXBFYZLASA-N 345.870 5.011 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)N(C)[C@H](C)c3ccccc3)o2)cc1 25617408 QDYQRGPUBWPBKC-QGZVFWFLSA-N 349.430 5.000 0 40 EKAB Clc1cc(Cl)c(Br)c(-c2nc3ccccc3o2)c1 45919889 WUQBMDPCWIUNMN-UHFFFAOYSA-N 343.007 5.564 0 40 EKAB CC(C)c1cccc(NC(=O)Nc2cccc(Br)c2)c1 51354321 HPBHNKJVKPPOMB-UHFFFAOYSA-N 333.229 5.217 0 40 EKAB CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C(/S)c1ccc(C)cc1 103639180 GYLTWYKQKDILGG-FMQUCBEESA-N 340.419 5.194 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1C 107041347 SAKZZVNKDCTXGY-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 222980380 JSTAEWDLCOYWRG-SFHVURJKSA-N 331.843 5.061 0 40 EKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 223522201 VSUJFQPZEPBAMP-MRXNPFEDSA-N 339.479 5.182 0 40 EKAB Cc1ccc(CC(=O)Nc2ccccc2Sc2ccccc2)c(C)c1 225250441 UMLYWQIFYXQOOJ-UHFFFAOYSA-N 347.483 5.636 0 40 EKAB CCCCCc1ccc(OC(=O)[C@H]2CC[C@H](CCCCC)CC2)cc1 267327455 LRWYNCNGLGBMSP-XUTJKUGGSA-N 344.539 6.711 0 40 EKAB Cc1cccc(C)c1Nc1c(-c2cccs2)nc2cccc(C)n12 426795 PRWLLKYPEQBOHD-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB C1=C[C@H]2c3cc4ccc(-c5ccc6ccccc6n5)nc4cc3C[C@@H]2C=C1 2258953 XJLBNEZFPZKAEO-FXAWDEMLSA-N 346.433 5.832 0 40 EKAB Cc1ccc(SCc2c(-c3ccccc3)nn(C)c2Cl)cc1 3047438 WALRMGPWMJPYTE-UHFFFAOYSA-N 328.868 5.341 0 40 EKAB Cc1cc(C)c2sc(NC(=O)Cc3cccc4ccccc34)nc2c1 4325374 KOSGLLUHKBGDDU-UHFFFAOYSA-N 346.455 5.248 0 40 EKAB CC1(C)C[C@H]([C@@H](CCNCc2ccccc2)c2ccccc2)CCO1 4535297 YIMXBIWRYAWKDJ-YADHBBJMSA-N 337.507 5.155 0 40 EKAB CC1(C)C[C@H]([C@H](CCNCc2ccccc2)c2ccccc2)CCO1 4535301 YIMXBIWRYAWKDJ-FGZHOGPDSA-N 337.507 5.155 0 40 EKAB Cc1ccc(-c2nn(-c3ccccc3)c(=S)c3ccccc23)cc1 4566538 ZFDNZBILNDWULU-UHFFFAOYSA-N 328.440 5.730 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 5951248 MOMHGVXNYKXCSR-UHFFFAOYSA-N 331.843 5.551 0 40 EKAB CC(=O)CC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C 12416772 OMUMQXPIWUEEEG-DFGWUGGBSA-N 330.556 6.881 0 40 EKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 13689072 ACFBRBZYMTVSOJ-INIZCTEOSA-N 341.410 5.399 0 40 EKAB C1=Cc2ccccc2/C1=C\c1cccc(/C=C2\C=Cc3ccccc32)c1 38142969 AXOITUPNKUIHGW-QFFDILLMSA-N 330.430 6.821 0 40 EKAB O=C(Nc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 44839299 HDKGFTSCKPQDTQ-UHFFFAOYSA-N 349.455 5.110 0 40 EKAB COc1c(Cl)cc(-c2nc3ccc(F)cc3s2)cc1Cl 45920048 QSJOJOXTJOUWQL-UHFFFAOYSA-N 328.195 5.418 0 40 EKAB Cc1cccc(C(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1 75279799 CLLXGHCSWKNBQW-UHFFFAOYSA-N 339.479 5.548 0 40 EKAB CC(C)(C)N(Cc1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 85722617 XGWZNZRXWIIPCU-UHFFFAOYSA-N 343.486 5.169 0 40 EKAB Cc1ccc(C(=O)c2cccc3ccccc23)cc1Br 95917283 CPLAVFCXSYAYKT-UHFFFAOYSA-N 325.205 5.142 0 40 EKAB Cc1ccccc1[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 223791983 RHWSTSCPWTVVER-QFIPXVFZSA-N 349.861 5.097 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1 225744136 QJFPKKBDUJXIRA-HXUWFJFHSA-N 335.488 5.035 0 40 EKAB O=C(COc1ccc(Cl)cc1)n1c2ccccc2c2ccccc21 2270151 OBQSBMILQAITFI-UHFFFAOYSA-N 335.790 5.167 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 8041161 JMVSXMSPSIOJRV-QGZVFWFLSA-N 325.452 5.052 0 40 EKAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@H]3CC[C@@H]2C[C@]12CS2 12657215 NQUOVPHNWQLADQ-HEEAJRSSSA-N 334.569 5.122 0 40 EKAB biogenic O=c1[nH]c(/C=C/c2ccc(-c3ccccc3Cl)o2)nc2ccccc12 14022896 DQFOMHYCCBTKNQ-ZRDIBKRKSA-N 348.789 5.007 0 40 EKAB COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 14292010 OISMOZUMGWSKSL-UHFFFAOYSA-N 344.625 5.216 0 40 EKAB CC(C)(CCCCCCCCCCCCc1ccccc1)CC(=O)O 16124375 IIXIPDOWHXYAKB-UHFFFAOYSA-N 346.555 7.021 0 40 EKAB CCOc1ccc(NC[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 19737673 PNUPFAUTABSNGH-HKUYNNGSSA-N 341.495 5.868 0 40 EKAB Fc1ccccc1-c1ccc(CNc2cc(Cl)ccc2Cl)o1 57291994 SQNOUPCZKKBBJG-UHFFFAOYSA-N 336.193 6.005 0 40 EKAB Fc1cccc(CSCc2csc(-c3ccccc3)n2)c1F 69814461 SVOOMNGJVWGEPA-UHFFFAOYSA-N 333.428 5.522 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1Cl 95917313 VEBQREBYXSOEDH-UHFFFAOYSA-N 343.209 6.017 0 40 EKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\Cc3cccnc3)c2c1 148590 IJMBOUDWNJOUGJ-LYBHJNIJSA-N 346.817 5.249 0 40 EKAB CC(C)[C@@H]1CC[C@H](C)c2c(-c3ccc(Br)cc3)n[nH]c21 387833 NRARIJLIMMHVAW-FZMZJTMJSA-N 333.273 5.476 0 40 EKAB O=c1sc2c(s1)S[C@H]1CCCCCCCCCC[C@@H]1S2 2082636 KTNLYTIAKNOAJY-RYUDHWBXSA-N 346.608 6.019 0 40 EKAB C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1cccc2ccccc12 2512667 AGHDDOFFRYMDHY-GOSISDBHSA-N 343.470 5.529 0 40 EKAB O=C(Oc1ccc(Cl)c2ccccc12)c1c(F)cccc1Cl 3291605 MBILIIMKRWIOPC-UHFFFAOYSA-N 335.161 5.505 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)cc1 3325506 SGBMGWBMLCVKFO-UHFFFAOYSA-N 345.442 5.585 0 40 EKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccc(Cl)cc1 4678204 KYZOMNJAAVUSOG-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB Cc1ccccc1Nc1nnc(-c2ccc(O)cc2)c2ccccc12 4869681 IXJAJZQUKHSTPX-UHFFFAOYSA-N 327.387 5.054 0 40 EKAB CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 5577077 IUKJYCAYJLKFRG-GBXVCHKXSA-N 338.476 5.198 0 40 EKAB O=C(COc1cccc2ccccc12)Nc1ccc2ccccc2c1 5740245 JUFBHEJLWYXQBI-UHFFFAOYSA-N 327.383 5.011 0 40 EKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)c1 13708474 FTJUUSSCGBQCFK-QGZVFWFLSA-N 333.431 5.171 0 40 EKAB CCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 13799002 ZLBQHHFRUNJMBM-ZZEZOPTASA-N 328.868 5.512 0 40 EKAB Cc1ccc(NC(=S)Nc2cc(Cl)ccc2F)cc1Cl 16240587 YLKNJCMAZKTXJX-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCc1cccc(CC)c1NC(=O)N(C)Cc1ccc(SC)cc1 40098966 COZFWCLMLJUAIS-UHFFFAOYSA-N 342.508 5.197 0 40 EKAB Cc1nc(C)c(C(=O)Nc2ccc(SC3CCCC3)cc2)s1 48312476 JKUGEAVAMHXAOL-UHFFFAOYSA-N 332.494 5.047 0 40 EKAB CC(C)n1c(SCc2ccccc2)nnc1-c1cc2ccccc2o1 72190856 WOIYCQDHPPYKAC-UHFFFAOYSA-N 349.459 5.565 0 40 EKAB Cc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c(C)c1 225025824 CJQFGKPZIYPUQP-QFIPXVFZSA-N 346.426 5.045 0 40 EKAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1 225377985 AFIDVQXKGVXHTC-JOCHJYFZSA-N 329.443 5.131 0 40 EKAB CC(C)c1ccccc1NC(=O)CSc1cccc2ccccc12 409180640 YMZGWFMBGPENDL-UHFFFAOYSA-N 335.472 5.694 0 40 EKAB CC[C@@H](C(=O)c1cc(Cl)cc(Cl)c1Cl)c1ccccc1 575361625 ZTLVOWBLHFRDJK-GFCCVEGCSA-N 327.638 6.023 0 40 EKAB C[C@@H](CC(=O)c1ccc(Br)cc1Cl)CC(C)(C)C 575362139 HYUMTEXARMOXCJ-JTQLQIEISA-N 331.681 5.748 0 40 EKAB CC[C@H](Oc1ccccc1C)c1nnc(C2(c3ccccc3)CCC2)o1 1615586436 NTBWODJAZJFEMP-SFHVURJKSA-N 348.446 5.378 0 40 EKAB Cc1ccc(-c2noc(C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 199781 VKKDVCQHGCHWBH-UHFFFAOYSA-N 328.799 5.013 0 40 EKAB CN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 544523 ILYGGPNRDVSFQJ-UHFFFAOYSA-N 338.410 5.178 0 40 EKAB Cc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(Cl)c1 569331 FNLQPTATBCBPOH-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB O=C(c1ccccc1)[C@H](Nc1ccc2ccccc2c1)c1ccccc1 1667314 RPFSNQSNYFOHOP-HSZRJFAPSA-N 337.422 5.876 0 40 EKAB in-vitro CC(C)(OC(=O)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 1676291 JDLQXSAICMRBSD-UHFFFAOYSA-N 331.026 5.037 0 40 EKAB O=C(c1cccc(Br)c1)c1ccc2c(c1)Cc1ccccc1-2 2308111 LYRAKIPLNCXBTR-UHFFFAOYSA-N 349.227 5.251 0 40 EKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cc2ccccc2o1 3435592 SQWFNIKVWIMTOQ-UHFFFAOYSA-N 327.811 5.463 0 40 EKAB O=C1c2cccc3cccc(c23)N1Cn1c(=S)sc2ccccc21 3892494 OFZWTFDNGHCJKM-UHFFFAOYSA-N 348.452 5.203 0 40 EKAB Clc1ccccc1-c1nnc(/C=C/c2cccc3ccccc23)o1 4657177 FSBYRHBUHBTAOQ-OUKQBFOZSA-N 332.790 5.714 0 40 EKAB CC(C)(C)[C@@H]1CCc2nc3sc4c(c3c(N)c2C1)CCCCC4 4721801 UIGZOJDTJKYSFZ-GFCCVEGCSA-N 328.525 5.298 0 40 EKAB OC[C@@H](O)COCCCCCCCCCCCCC[C@H]1C=CCC1 5600364 NDGBSIABANLBIW-LEWJYISDSA-N 340.548 5.004 0 40 EKAB O=C(Nc1ccc(Nc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 5672671 NSUOCHNACFATHN-UHFFFAOYSA-N 346.474 5.585 0 40 EKAB O=C1c2ccccc2[C@H](SCc2ccccc2)N1Cc1ccccc1 6475079 XWANLYMAIHNUQI-QFIPXVFZSA-N 345.467 5.275 0 40 EKAB CCCCc1ccc(NC(=S)Nc2cccc3cnccc23)cc1 8709668 PNOPAYSXVTXMDQ-UHFFFAOYSA-N 335.476 5.386 0 40 EKAB Cc1cc(C)cc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCC2)c1 10165991 YEGOUJLYBDKHCQ-UHFFFAOYSA-N 341.842 5.188 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)c1nc(-c2ccco2)sc1C 13006263 UHVYDDOECQAXHI-UHFFFAOYSA-N 340.448 5.396 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1C 13930846 UGEVEWSJHXGNRJ-INIZCTEOSA-N 326.509 5.474 0 40 EKAB CCc1cccc(C)c1NC(=O)c1ccccc1C(=O)c1ccccc1 17173087 VIUAZDBYCQEOOD-UHFFFAOYSA-N 343.426 5.041 0 40 EKAB S=C(Nc1ccccc1)c1c(-c2ccccc2)cn2ccccc12 27752597 DPLACOLXBHNTQO-UHFFFAOYSA-N 328.440 5.394 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)c(C)c1 30854243 DVJRZMLNRDEDKU-HNNXBMFYSA-N 347.911 5.316 0 40 EKAB Cc1sc(Nc2c(Cl)cccc2Cl)nc1-c1ccccc1 59225646 FWYGKMBSRMUHDG-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 59472250 OENTYSQBUYLKDP-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB c1ccc(CN2CCCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 72216668 LKZNUBAMZFGJIV-JOCHJYFZSA-N 349.522 5.189 0 40 EKAB CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 100035613 HTAPXFSKUGZEEP-FGYAAKKASA-N 348.521 7.625 0 40 EKAB C[C@@H]1CCCCN1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 216841204 UUTATZYETGBNCA-CQSZACIVSA-N 340.854 5.523 0 40 EKAB COc1ccc(Cl)cc1NC(=O)CCc1cccc2ccccc12 222662063 GPPJCKSFPSDZTM-UHFFFAOYSA-N 339.822 5.073 0 40 EKAB Cc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1Cl 409177151 CCPVUAUCMKZSCR-UHFFFAOYSA-N 326.248 5.033 0 40 EKAB Cc1c(C)c2c(cc(C)c3c(-c4ccc(Cl)cc4)coc32)oc1=O 95485 LIPOSOVBWFVXAD-UHFFFAOYSA-N 338.790 5.785 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl 577981 BDSYJHJLUHVAFH-UHFFFAOYSA-N 335.017 5.553 0 40 EKAB Cc1ccc(C(=O)c2ccccc2Cc2cccc3ccccc23)cc1 1654320 WUPGGXNFVLPFND-UHFFFAOYSA-N 336.434 5.970 0 40 EKAB CCCCN[C@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 1664847 QNOWTNZTIJIKSZ-MSOLQXFVSA-N 338.278 5.158 0 40 EKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\Cc3ccco3)c2c1 1892425 GPTPKBLCCMRRMK-BSYVCWPDSA-N 329.399 5.356 0 40 EKAB Cc1ccc(C)c(CSc2ncnc3sc4c(c23)CCCC4)c1 2397735 JTBWXFKPFGIWQN-UHFFFAOYSA-N 340.517 5.479 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)CSc1ccc2ccccc2c1 4886684 NMCQEIWOFIPAGP-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1 6925926 HYJRZBMIBACQQX-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CCCc1cc(-c2nc(-c3ccc4ccccc4c3)cs2)ccn1 8040484 WOKJOIJIIQEYCG-UHFFFAOYSA-N 330.456 5.978 0 40 EKAB O=C(Nc1ccccc1F)c1ccc(Oc2ccc(F)cc2)cc1 12770924 REZWABOROPZFFP-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB Cc1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1 13141318 FDBBOBMQYVUQMF-UHFFFAOYSA-N 343.455 5.924 0 40 EKAB aggregator Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 13710732 KASPQKSXFODAIC-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccc(C)c(OCCNc2ccc(OCc3ccccc3)cc2)c1 19738188 CYGRMPUPRUTVMU-UHFFFAOYSA-N 347.458 5.373 0 40 EKAB Fc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1 19738451 PVEWTHKAASKDOQ-UHFFFAOYSA-N 335.422 5.449 0 40 EKAB Fc1ccc(-c2ccc(CNCc3cc4ccccc4[nH]3)s2)cc1 58473907 GSKWMZGZVGHNSJ-UHFFFAOYSA-N 336.435 5.325 0 40 EKAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102323607 XFLBGYFVIHCDBA-STHPQGGCSA-N 335.447 5.033 0 40 EKAB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC[C@@H](C)O 105197800 OMRDSKNXJYXBEL-VHLUFPJRSA-N 332.572 6.673 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](C5CCCC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118929765 RBCMLWGBXWRMNN-SGLYVMGASA-N 344.583 6.196 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)CCSCc2ccccc2)cc1C 223453265 NTXJCEQUCMBLLA-GOSISDBHSA-N 341.520 5.113 0 40 EKAB CC[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(C)c(C)c1 225709544 MEUJYLPHSUIYQD-KRWDZBQOSA-N 332.900 5.395 0 40 EKAB c1ccc(-c2cnc3nc(-c4ccccc4)c(-c4ccccc4)n3n2)cc1 53443 BUJPMSVWOMVVDK-UHFFFAOYSA-N 348.409 5.125 0 40 EKAB CCc1cccc(C)c1NC(=O)CCSc1ccccc1Cl 3231129 PZTLCFUAUWWPKF-UHFFFAOYSA-N 333.884 5.332 0 40 EKAB Cc1cc(Br)ccc1NC(=O)Nc1ccccc1Cl 3434511 JQIGVULKUDVQCO-UHFFFAOYSA-N 339.620 5.055 0 40 EKAB C[C@H]1C[C@H](C)CN(CCCCCCOc2cccc3ccccc23)C1 4837103 PURCLIABRYQFOP-PMACEKPBSA-N 339.523 5.757 0 40 EKAB CCCCC(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 4892168 UBOMRSNWQDBDAE-UHFFFAOYSA-N 346.430 5.221 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6391724 ZOTKZNHNLWECJH-CQSZACIVSA-N 345.870 5.650 0 40 EKAB CCc1cccc(CC)c1NC(=O)CSCc1cc(C)cc(C)c1 7208877 MRPVASWAXRJVGO-UHFFFAOYSA-N 341.520 5.300 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(OC)cc1 8085620 NBOLCADMBYTIBA-KRWDZBQOSA-N 348.899 5.095 0 40 EKAB CC[C@H](C)NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8326618 JUHCHRPUARMIBO-INIZCTEOSA-N 337.438 5.446 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCCCC2)cc1 10334127 CIUWSLDIHVKFND-UHFFFAOYSA-N 344.458 5.078 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 13710310 LLCJPWDGGBTLTL-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 14257903 FNDWWHJKGUTMEF-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB O=C(c1ccc(CSCc2ccccc2)cc1)N1CCCCCC1 20238886 ANRSKPLFJCBFPR-UHFFFAOYSA-N 339.504 5.136 0 40 EKAB COc1cc(C)cc(O)c1C/C=C(\C)CC/C=C(\C)CCC=C(C)C 33845589 OJJOUHFECGXRFJ-NWLVNBMCSA-N 342.523 6.671 0 40 EKAB biogenic CCc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44837930 OHKVZGYPOJBXKW-UHFFFAOYSA-N 341.414 5.045 0 40 EKAB Fc1cc(F)cc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 53584254 BVODTVWNPHXXRC-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)[C@@H](C)c1ccc(OC)cc1 77272381 HRTJXPLKDGPKLQ-WQTXXOFMSA-N 326.480 6.027 0 40 EKAB in-vitro O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1Cl 311729 HMOGAMOTTBCNRP-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB COc1ccc(-c2coc3cc4oc(=O)c(C(C)C)c(C)c4cc23)cc1 489019 QQGWFYITNBEGFT-UHFFFAOYSA-N 348.398 5.647 0 40 EKAB biogenic COC(=O)c1cc2ccccc2cc1Nc1ccc2ccccc2c1 1602281 DFMCOEDJDVJIQW-UHFFFAOYSA-N 327.383 5.523 0 40 EKAB CC(C)=C[C@@H]1[C@@H](C(=O)SCc2ccc(Cl)cc2Cl)C1(C)C 1665535 DKROSXYTKBNUJH-HIFRSBDPSA-N 343.319 5.992 0 40 EKAB Cc1ccc2oc(-c3ccc(Cl)cc3)c/c(=N\c3ccccc3)c2c1 2887257 XAYAQNUCRWRDQZ-HIXSDJFHSA-N 345.829 6.294 0 40 EKAB Nc1oc(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(Cl)cc1 3220707 LKIGAOUENLVATI-UHFFFAOYSA-N 332.186 5.067 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 3330626 PZCJGZOQAKUONJ-GOSISDBHSA-N 329.871 5.589 0 40 EKAB Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1C 4350454 UVHLUROIGMBEEY-QHCPKHFHSA-N 326.443 5.659 0 40 EKAB CC(C)c1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 4571639 QGDICSVBYFNCLP-SGTLLEGYSA-N 340.492 5.425 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1C 5016653 SNYHKDUXXUNWCL-LBPRGKRZSA-N 337.847 5.215 0 40 EKAB CCCCC(=O)Nc1ccc(C)c(-c2nc3cc(C)cc(C)c3o2)c1 5501824 VTVOHHXPUWGUHG-UHFFFAOYSA-N 336.435 5.549 0 40 EKAB CC(C)c1ccc2occ(CC(=O)Nc3ccccc3Cl)c2c1 6809859 VWWONJZSWQHNFP-UHFFFAOYSA-N 327.811 5.391 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 7069005 PAAHAPQYRBQZNF-UHFFFAOYSA-N 326.248 5.358 0 40 EKAB COc1ccc(-c2ccc(CNC3CCCCCCC3)o2)cc1Cl 7539677 YJLSBAXDLRJBBD-UHFFFAOYSA-N 347.886 5.811 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc3nc(C)ccc23)cc1 8071908 CYWLJFVTKTYHOF-OAHLLOKOSA-N 348.446 5.074 0 40 EKAB CC(C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 9141804 FAEJZGUMAOYTML-UHFFFAOYSA-N 341.760 5.735 0 40 EKAB Cc1cccc(NC2=NC(=S)N(c3ccccc3C)C23CCCC3)c1 12462707 NTYWVZXQQMDEPW-UHFFFAOYSA-N 349.503 5.232 0 40 EKAB Cc1cccc(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)c1 13613578 SFAVPGCUIQCYDI-UHFFFAOYSA-N 343.426 5.257 0 40 EKAB COc1ccc(-c2ccc(CCC(=O)Nc3cc(C)ccc3C)o2)cc1 15867471 JXFMGZAPTMKBNY-UHFFFAOYSA-N 349.430 5.143 0 40 EKAB CC(C)c1ccc(N2C(=O)[C@H](C)S[C@H]2c2ccc(F)cc2)cc1 19927714 XCURUCBCVTUELW-DJJJIMSYSA-N 329.440 5.116 0 40 EKAB CC(C)c1ccc(Nc2ncccc2C(=O)NC2CCCCC2)cc1 22072954 XIRKNPAIXYVKPG-UHFFFAOYSA-N 337.467 5.011 0 40 EKAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102323611 XFLBGYFVIHCDBA-JQZBISMTSA-N 335.447 5.033 0 40 EKAB C[C@H](NC(=O)c1sc2ccccc2c1Cl)[C@H]1C[C@H]2CC[C@H]1C2 105874152 VHBSHKYZMWSAKL-ZJQBRPOHSA-N 333.884 5.109 0 40 EKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc2ccccc12 223788556 SEZAPEZHAKOFTQ-MRXNPFEDSA-N 345.442 5.125 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225702251 NOGNIXVFIHCDFY-UZLBHIALSA-N 335.488 5.178 0 40 EKAB CCc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1 225850195 FFBBKZGTGGRCER-UHFFFAOYSA-N 338.520 5.313 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1nccs1)c1ccc(F)cc1 122004 KSQNNCPFBYVJFP-SFHVURJKSA-N 337.423 5.273 0 40 EKAB O=C(Nc1ccccc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 241345 DOBVMLGBQWNSKR-UHFFFAOYSA-N 342.373 5.293 0 40 EKAB Cc1cccc2nc(-c3ccc(Cl)cc3)c(NC3CCCC3)n12 417885 VHWBANHSGOVKSV-UHFFFAOYSA-N 325.843 5.318 0 40 EKAB CCCC(=O)Nc1cccc(-c2nc3cc([C@H](C)CC)ccc3o2)c1 570328 UZBRZCZCTLPEGR-CQSZACIVSA-N 336.435 5.747 0 40 EKAB COc1ccccc1[C@H]1COC(c2ccccc2)(c2ccccc2)S1 2041473 CUEBFSAVPLHDRS-OAQYLSRUSA-N 348.467 5.401 0 40 EKAB Cc1ccccc1-n1c(-c2ccccc2Cl)nc2ccccc2c1=O 3114509 JGTGDRPNIIIQNY-UHFFFAOYSA-N 346.817 5.015 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)[C@]1(C2)Oc2ccccc2C(=O)N1c1ccccc1 4114183 DSBILKPAQVKIQT-GMWOSMDTSA-N 347.458 5.268 0 40 EKAB CCCCCC1CCC(c2ccc(/C=C/c3ccccc3)nc2)CC1 4599047 IMDIXPMXOVRCSI-GHRIWEEISA-N 333.519 7.106 0 40 EKAB CC(=O)Oc1ccc(-c2csc(Nc3ccccc3Cl)n2)cc1 4740083 BWYZOYPSKKCHBG-UHFFFAOYSA-N 344.823 5.132 0 40 EKAB COc1ccc(-c2c(Nc3ccccc3)oc3cc(C)oc(=O)c23)cc1 6672403 GIZQNHFNCKHTHO-UHFFFAOYSA-N 347.370 5.114 0 40 EKAB COc1ccc(Cl)cc1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 7524069 JHOZVVORNBQQOH-XXWNAHEMSA-N 333.903 5.043 0 40 EKAB CC(C)c1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 11619060 MDQOSVISZXVFNR-UHFFFAOYSA-N 344.458 5.528 0 40 EKAB CC(C)[C@@H](C(=O)Nc1ccccc1C(C)(C)C)c1ccc(Cl)cc1 12616798 XYPNBIHZXSZROH-LJQANCHMSA-N 343.898 6.016 0 40 EKAB COc1ccc(-c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 14017501 AUYIEXCFYKQFPP-UHFFFAOYSA-N 343.430 5.355 0 40 EKAB CSc1ccc2cc(CN3C[C@@H](C)C[C@@H](C)C3)c(Cl)nc2c1 14077155 WCBDLDBOZOXBJW-BETUJISGSA-N 334.916 5.088 0 40 EKAB CCn1c2ccccc2c2ccc(NC(=O)CCC3CCCCC3)cc21 16162841 USGXUPVRZGNYEE-UHFFFAOYSA-N 348.490 6.113 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)C 20107975 CNNAQBGNFYRBTN-SFHVURJKSA-N 347.911 5.973 0 40 EKAB Cc1ccc(NC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)cc1 22053857 ZLLGAKNKMQYXQR-UHFFFAOYSA-N 345.446 5.509 0 40 EKAB Cc1cccc(NC(=O)c2cccnc2Nc2ccc(Cl)cc2)c1 22072445 ZQZBLIQVXWQSFY-UHFFFAOYSA-N 337.810 5.039 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1 44781673 MJRVGIMOSBTHDR-UHFFFAOYSA-N 342.442 5.871 0 40 EKAB CC[C@]1(C(=O)OC)CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927318 GYAMUDPQHVRNEM-XCMMUJMZSA-N 346.555 5.989 0 40 EKAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(C)c(C)c1 218915493 QQWJQPNFXGMKTG-NRFANRHFSA-N 347.458 5.103 0 40 EKAB CCOC1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCCCC1 225710326 SDRFQEQRCAGEKG-QGZVFWFLSA-N 347.499 5.159 0 40 EKAB Cc1sc2ncnc(Sc3nc4ccccc4s3)c2c1C 383015 GCKZUOGWTHZNIE-UHFFFAOYSA-N 329.475 5.069 0 40 EKAB COc1ccc2c(c1)[C@@H](c1ccccc1)SC(c1ccccc1)=C2 1562477 AWEZUPDWHCLPKL-JOCHJYFZSA-N 330.452 6.030 0 40 EKAB CC(C)CC[C@@H](CCNCc1ccc(OC(C)C)cc1)c1ccco1 4085396 NILBKBHOFCDFCE-FQEVSTJZSA-N 343.511 5.767 0 40 EKAB biogenic Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 4698836 LHLPVEYFYFLPPM-UHFFFAOYSA-N 337.492 5.072 0 40 EKAB Cc1cccc(N2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)c1C 5552719 PENFTGMAGREMNL-ZDLGFXPLSA-N 348.427 5.026 0 40 EKAB Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2Cl)cc1 5753013 UBTPFKZCYOGWOG-UHFFFAOYSA-N 326.248 5.033 0 40 EKAB CC(C)(C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 6882581 MNOJLGDQCOAWDT-UHFFFAOYSA-N 338.278 5.461 0 40 EKAB CC[C@@H](C)NCc1c(OCc2ccccc2F)ccc2ccccc12 8325872 ZGLJVVAYNQPLJZ-MRXNPFEDSA-N 337.438 5.446 0 40 EKAB c1cncc(/N=c2\scc(-c3cccs3)n2C2CCCC2)c1 12563927 PPIMDBSCATVYIF-ZPHPHTNESA-N 327.478 5.021 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(C)c1 20489480 FHMHDENGVYAWOQ-MSOLQXFVSA-N 339.479 5.072 0 40 EKAB O=C(CSCc1cccc2ccccc12)Nc1ccccc1Cl 23411288 BOMSNICMKVQMCH-UHFFFAOYSA-N 341.863 5.365 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccccc1 30752333 WACWOYZAQPFHFK-ROUUACIJSA-N 347.911 5.478 0 40 EKAB Cc1ccc(SCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 167667203 DPYGJNOWBIXIOJ-UHFFFAOYSA-N 340.275 5.423 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)cc(C)c1 222905264 SFOLMFJLFTWMML-HXUWFJFHSA-N 339.479 5.397 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F 222917776 PSSUNEMVQOUZJJ-SFHVURJKSA-N 347.405 5.058 0 40 EKAB O=C(Nc1ccccc1Cl)c1cc2cc3ccccc3nc2s1 223128467 BMPQYURTOBOKLX-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB CC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 223133378 HMWRXBHBWYUCIH-LJQANCHMSA-N 345.845 5.239 0 40 EKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225733570 FRWYUYYABHGRTG-OXQOHEQNSA-N 335.488 5.034 0 40 EKAB CCCC[C@H](CC)C(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358193 MVSKPAGUHIEFAQ-INIZCTEOSA-N 346.417 5.943 0 40 EKAB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C1CCC1 575358962 JRYQVBAYBSRXNT-UHFFFAOYSA-N 327.427 6.139 0 40 EKAB CCc1cccc(C)c1Nc1ncnc2ccc(Br)cc12 144049 LNASKCCHIBGXKN-UHFFFAOYSA-N 342.240 5.007 0 40 EKAB biogenic,in-vitro CC1=CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2cc(C)ccc21 169652 URDQZDVLBLPJLS-UHFFFAOYSA-N 340.854 5.882 0 40 EKAB Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)c(Cl)c2)c1 2521633 MXVAYAXIPRGORY-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB in-vitro Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3cccc(F)c3)n2)cc1 2733406 FFKMUMRJOAJUCG-UHFFFAOYSA-N 342.417 5.962 0 40 EKAB Cc1cccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)c1 3149057 FSMYOIHZIQNRNK-KOENEWCDSA-N 339.438 5.231 0 40 EKAB COc1cccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)c1 3277168 QZXQUBHDLMRJIB-UHFFFAOYSA-N 342.398 5.406 0 40 EKAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2ccccc2)cc1 6269774 XNDVFAAMIYTWSS-UHFFFAOYSA-N 340.426 5.406 0 40 EKAB Cc1ccccc1NC(=O)CSC(c1ccccc1)c1ccccc1 6339141 SHPJWLYJYUXZAC-UHFFFAOYSA-N 347.483 5.456 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCCOC(C)=O 6397027 RKNFFTAYULCRTQ-JWDLLYTKSA-N 332.528 6.695 0 40 EKAB C[C@@H](C(=O)Nc1ccccn1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419835 UADIELYLCDCCPT-GFCCVEGCSA-N 349.821 5.112 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1Cl 14022282 KMPIMYPLIFRFJK-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB Cc1ccc(-c2ccsc2C(=O)Nc2ccc3oc(C)nc3c2)cc1 15537624 PKRXCBNFAQOVSF-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB O=C(CCc1ccccc1F)Nc1ccccc1Oc1ccccc1 19164900 QCIWCFKOLKAFMA-UHFFFAOYSA-N 335.378 5.189 0 40 EKAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1Cl 80345497 UPCPJBIHDLFCKP-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219597615 DXTZYTCNWJRBPL-SFTDATJTSA-N 339.479 5.037 0 40 EKAB CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219645533 ZZPBQRTYHCCGDR-HNNXBMFYSA-N 341.520 5.587 0 40 EKAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(C(C)C)cc2)cc1 225445527 VHUVNXXTUPRNBK-UHFFFAOYSA-N 342.508 5.084 0 40 EKAB CC(C)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 409140902 GTWDYBLGHFYISI-HMMYKYKNSA-N 331.415 5.582 0 40 EKAB CSc1nc(Oc2cc(Cl)ccc2Cl)c2ccccc2n1 1392711 WVBSNKIJNLGFIW-UHFFFAOYSA-N 337.231 5.451 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1c(Cl)cccc1Cl 1940390 KEXKEPAWPRBQSI-BQYQJAHWSA-N 340.637 5.607 0 40 EKAB Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OC(=O)Nc1ccccc1 2187197 TVEHBFJVQAHQDG-UHFFFAOYSA-N 339.479 6.201 0 40 EKAB CCC[C@@H]1CCC[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1 2220064 OUDRMHUSSDYGOS-MSOLQXFVSA-N 336.475 6.516 0 40 EKAB C[C@H](NCC[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1 2294875 PBCGLNLOJZZAQT-RXVVDRJESA-N 331.459 5.265 0 40 EKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2)N3)C1 4545389 DHNIILAORDDCBP-MGPLVRAMSA-N 346.883 5.345 0 40 EKAB Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)sc2C)c(C)c1 4639080 JCMHNFIKWNJQOI-UHFFFAOYSA-N 338.432 5.177 0 40 EKAB CCc1ccc(Cc2cn3cc(-c4ccc(F)cc4)nc3s2)cc1 5020467 ZRFAFVQBVLYMAM-UHFFFAOYSA-N 336.435 5.355 0 40 EKAB CCCCn1c(-c2ccccc2Cl)nc2nc3ccccc3nc21 5215598 IJRIMMWNEVWQHQ-UHFFFAOYSA-N 336.826 5.100 0 40 EKAB CC(=O)c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 6298062 FAZJWUYZDSSDCW-UHFFFAOYSA-N 335.447 5.220 0 40 EKAB C[C@@H](NCc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 6468820 NGYSYMVTYBPCTL-SALMBKGGSA-N 348.328 5.144 0 40 EKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 8479461 GAFZXICYBLNUKN-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB CSc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 12921228 WUOILRWCJCZRQH-UHFFFAOYSA-N 346.502 5.154 0 40 EKAB CN(Cc1ccc2ccccc2c1)C(=O)Nc1nc2ccccc2s1 22387317 WWLFITOTMCLIKG-UHFFFAOYSA-N 347.443 5.113 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC(C)C)c1ccccc1 30851465 YWMADULBJMNKFN-PMACEKPBSA-N 339.479 5.056 0 40 EKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@]21C 36371234 LFDDUQXVBIIJBD-LMIZDIAQSA-N 344.583 6.529 0 40 EKAB CCCn1c([C@@H](C)Oc2ccc(Cl)c(C)c2)nc2ccccc21 40237143 LUDWDGUMPZPWKD-CQSZACIVSA-N 328.843 5.548 0 40 EKAB Clc1ccc(-c2nc(CN3CCC[C@H]3c3ccsc3)co2)cc1 48278130 YMWSJXOWFKGEPY-KRWDZBQOSA-N 344.867 5.394 0 40 EKAB Cc1nc(C)c(C[S@@](=O)[C@H](C)c2ccc(Cl)cc2Cl)s1 78731026 GNIRQIWAWVAASC-YBYGRFCBSA-N 348.320 5.077 0 40 EKAB O=C(CCCSc1ccc(Cl)cc1)NC1CCCCCCC1 222688887 YYISIIGIQMRHRL-UHFFFAOYSA-N 339.932 5.441 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 223440042 RKVBQXDWHTYORC-HNNXBMFYSA-N 347.483 5.366 0 40 EKAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(C)c1 225377959 AFIDVQXKGVXHTC-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1ccccc1 409121338 WGPDVMDKPGCUDN-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1cc(C)cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 505730 DTBYKGVWEPVGMF-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 512876 YEYHFFUUIFMLDC-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB Clc1ccc(CSc2nccn2-c2ccccc2)c(Cl)c1 1389974 DKVDNYNXBCUYFG-UHFFFAOYSA-N 335.259 5.471 0 40 EKAB c1ccc(CCN2CCC(CCc3c[nH]c4ccccc34)CC2)cc1 1482088 PKONSPWBWMIPAF-UHFFFAOYSA-N 332.491 5.055 0 40 EKAB in-man C[C@H]1CCCC[C@H]1NC(=O)c1sc2cc(Cl)ccc2c1Cl 3287300 XUJGIQQXIYOIOA-JOYOIKCWSA-N 342.291 5.517 0 40 EKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OC 6959196 LRZAHHJDKFPKQP-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)CNc2cccc(OCC(C)C)c2)c1 19738308 RBLIQAWYXKXIOK-SFHVURJKSA-N 327.468 5.218 0 40 EKAB Cc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2C)cc1 35167043 RVEZEFHGJRXTHF-UHFFFAOYSA-N 349.286 6.477 0 40 EKAB COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C 41005020 QGOYYHWFRIXEAK-UHFFFAOYSA-N 344.414 5.126 0 40 EKAB COc1cc(Br)c2oc(-c3ccc(C(C)C)cc3)nc2c1 45920236 QKOJFSRNNKWIHY-UHFFFAOYSA-N 346.224 5.389 0 40 EKAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cccc3ccccc23)S1 71285616 UPHCCTQFMOWRTI-QGZVFWFLSA-N 337.448 5.209 0 40 EKAB Nc1c(Cl)cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Cl 73634765 FIOHQPHHHUPHDQ-UHFFFAOYSA-N 347.032 5.426 0 40 EKAB CCCOc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 106992460 WCRHKXCZCIQTLX-UHFFFAOYSA-N 343.829 6.033 0 40 EKAB CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225624529 NPWQXENGUPYQDU-DYESRHJHSA-N 349.515 5.405 0 40 EKAB CCn1c(SCc2ccc3ccccc3c2)nnc1-c1ccccc1 409096865 LJAQVBFUWDXNTB-UHFFFAOYSA-N 345.471 5.411 0 40 EKAB CCCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1C 409120450 VTMGYVLRAJFPFH-UHFFFAOYSA-N 338.278 6.011 0 40 EKAB c1ccc2c(c1)O[C@@H](CCCN1CCCCC1)c1ccccc1S2 347511 HKTRXPBQEMJXKL-SFHVURJKSA-N 339.504 5.537 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 2734316 WPVWYDQCUORMTE-ZFWWWQNUSA-N 345.870 5.568 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(C)s3)nc3ccc(C)cn23)cc1 4735108 NBGYOEYNFAITJG-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB Cc1ccc(C(C)C)c(OCCN2CCCC[C@@H]2c2cccnc2)c1 6624330 WXTJRJWXLDFKKS-OAQYLSRUSA-N 338.495 5.119 0 40 EKAB biogenic COc1ccccc1CN[C@H](c1ccccc1)c1ccc(Cl)cc1 6861404 DYHRAHQWZBUDNG-OAQYLSRUSA-N 337.850 5.228 0 40 EKAB Cc1cccc(-c2nnc([C@H](C)Nc3cccc(C(F)(F)F)c3)o2)c1 11039654 UOVYUCVQNNLSRY-LBPRGKRZSA-N 347.340 5.237 0 40 EKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(Cl)c1C 12887687 DVILFDJCLFEXGW-UHFFFAOYSA-N 348.880 5.394 0 40 EKAB CC[C@H](c1ccc2oc(C)cc2c1)[C@@H](CC)c1ccc2oc(C)cc2c1 17303451 FFXGBNWZSHUVCL-SZPZYZBQSA-N 346.470 7.483 0 40 EKAB CC(C)CCOc1cccc(NCCOc2ccccc2Cl)c1 19738369 ZLOHVXFRMOJGOK-UHFFFAOYSA-N 333.859 5.256 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)C 20107974 CNNAQBGNFYRBTN-GOSISDBHSA-N 347.911 5.973 0 40 EKAB Cc1c(C(=O)N(Cc2ccccc2)Cc2ccco2)oc2ccccc12 27545209 MSIHPDYMDNEZCG-UHFFFAOYSA-N 345.398 5.177 0 40 EKAB COc1ccc(-n2c(C)c(C(C)=O)c3cc(O)c4ccccc4c32)cc1 33614644 YTZKKKYRDQFUNF-UHFFFAOYSA-N 345.398 5.009 0 40 EKAB CCCCc1ccc(NC(=S)Nc2ccc(Cl)cc2C)cc1 71326225 KWARYENCBCDQDO-UHFFFAOYSA-N 332.900 5.800 0 40 EKAB Clc1c(OCc2ccccc2)ccc2cc(Br)ccc12 88247306 OPWJSCZEMUVBLT-UHFFFAOYSA-N 347.639 5.835 0 40 EKAB O=C(c1sccc1-c1ccccc1)N1CC[C@H](c2ccccc2)C1 89851231 CCGOXKNELQRDOK-SFHVURJKSA-N 333.456 5.045 0 40 EKAB O=C(CCCOc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 224142012 UGHZWJITGFTNDC-UHFFFAOYSA-N 345.398 5.384 0 40 EKAB Cc1cc(C)c(NC(=O)CCc2c(Cl)cccc2Cl)c(C)c1 225350397 QAAMQICFMPKGLN-UHFFFAOYSA-N 336.262 5.490 0 40 EKAB O=C(CCc1ccccc1)c1cc(OC(F)(F)F)ccc1Cl 575361429 DUEXORSNYKYVCV-UHFFFAOYSA-N 328.717 5.054 0 40 EKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 105897 PYRFRKFORZOXNM-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Clc1ccc(SCc2cc(-c3ccccc3Cl)on2)cc1 1398572 GMJHBPQCKRSQDE-UHFFFAOYSA-N 336.243 5.941 0 40 EKAB Cc1ccc2c(CSc3nc4ccccc4s3)cc(=O)oc2c1 3503883 KYMNONSTZYUHAU-UHFFFAOYSA-N 339.441 5.003 0 40 EKAB CC(=O)O[C@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 4964052 UDYOQLLJPCUQHS-HNNXBMFYSA-N 327.594 5.280 0 40 EKAB C1=C(c2ccccc2)N2CCO[C@]23CCCC[C@@H]3[C@H]1c1ccccc1 5177181 IIWHIPPFNCKTOT-XPNTWCBSSA-N 331.459 5.044 0 40 EKAB C[C@H](Sc1nc2ccccc2s1)c1nnc(-c2cccs2)o1 5457790 GJLXEGDYEHYBCX-VIFPVBQESA-N 345.474 5.261 0 40 EKAB O=C(O)/C(=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 6221043 DFNQZDFMDFBODY-QPEQYQDCSA-N 327.594 5.272 0 40 EKAB Cc1ccc(C(=O)CCNc2ccc(OCc3ccccc3)cc2)cc1 8782967 NNMUIEQVPRVSOP-UHFFFAOYSA-N 345.442 5.259 0 40 EKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)c(Cl)c1 14258240 QBGNNFIOPMFCEL-UHFFFAOYSA-N 344.625 5.216 0 40 EKAB CC[C@@H](C)c1ccccc1O[C@H](C)CNc1c(C)cc(C)cc1C 19737721 IIKAIDKYHFUSSI-VQIMIIECSA-N 325.496 6.005 0 40 EKAB Cc1ccccc1C(=O)N(Cc1cccs1)c1cccc(Cl)c1 27663450 LLPVILNHFSVDGH-UHFFFAOYSA-N 341.863 5.557 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 43735913 OMUMQXPIWUEEEG-PCPOEBLKSA-N 330.556 6.881 0 40 EKAB FC(F)(F)c1cc(Cl)c(Oc2cccc(Cl)c2)c(Cl)c1 59862436 IDKVMKCRQFTECG-UHFFFAOYSA-N 341.543 6.458 0 40 EKAB COc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Cl 73634712 XVNJMIJLMMHING-UHFFFAOYSA-N 327.598 5.199 0 40 EKAB Fc1ccc(C2=C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 100687858 DMXPWOFMUHNOQE-OAQYLSRUSA-N 341.389 5.231 0 40 EKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c(Cl)c1 225002971 NTBJVWFSDQDAEJ-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB Cc1cc(Cl)ccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225074307 DQNRPFKQSFHCCN-SFHVURJKSA-N 346.854 5.021 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)c(C)c1 225478033 TVEUGKGDSWHEHH-INIZCTEOSA-N 342.508 5.138 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)c1 225600255 UUCAHEKZCPBBMO-OAHLLOKOSA-N 345.870 5.486 0 40 EKAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCC(C)CC1 225721142 YMFCMHYWJPPJRP-FIWNRLKKSA-N 347.499 5.096 0 40 EKAB CCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC(C)CC1 225721439 SFLDYJMAGLZQDR-UHFFFAOYSA-N 347.499 5.015 0 40 EKAB Cc1c(-c2ccccc2)sc2ncnc(Nc3ccc(F)cc3)c12 108187 ZWTBNGVLEYQEQQ-UHFFFAOYSA-N 335.407 5.549 0 40 EKAB C[C@H](NCc1cn[nH]c1-c1ccc(Cl)cc1Cl)c1ccccc1 819521 HDBGZQOXYWWDJX-LBPRGKRZSA-N 346.261 5.234 0 40 EKAB C[C@@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 1295561 VAABMKSTVWFIJI-KOSHJBKYSA-N 344.502 5.193 0 40 EKAB biogenic Cc1ccc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)cc1 1556501 UAZASEQMDZVWIZ-UHFFFAOYSA-N 329.443 5.035 0 40 EKAB Fc1ccc([C@H](CCNCc2ccc(Cl)cc2)c2ccco2)cc1 2273115 KYVAZSISNIBCIX-IBGZPJMESA-N 343.829 5.384 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 5034737 IAFFQOAOYYYYSV-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CC(C)/N=C1\S/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)N1C(C)C 6324906 JFNTZFKQOHPAGV-CUNGHOPLSA-N 344.524 5.073 0 40 EKAB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc(C)c1C 8654258 IOEOTVQJYCFVPB-MRCUWXFGSA-N 338.476 5.094 0 40 EKAB Cc1nc(-c2cccs2)sc1C(=O)N(C)[C@@H](C)c1ccccc1 12915670 SNFAZJKVMYRHCO-ZDUSSCGKSA-N 342.489 5.013 0 40 EKAB CC[C@H](C)NC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 28125165 XXSIYNJKCPZOFQ-ZDUSSCGKSA-N 338.838 5.084 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1ccccc1 38787597 POLWYDAZFUFJCU-KRWDZBQOSA-N 338.495 5.223 0 40 EKAB COc1ccc(Oc2nc(-c3ccccc3)nc3ccsc23)cc1 43197724 SVWMVQDWOVQGAW-UHFFFAOYSA-N 334.400 5.159 0 40 EKAB Cc1ccc(SCCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 44900141 IMEYKVYZTQWSKY-FQEVSTJZSA-N 341.520 5.381 0 40 EKAB C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102384656 WKCHJURXJMZKAJ-YAUSHBINSA-N 341.445 5.469 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](C)c1ccccc1 224474314 TUJNYOKGOZBJFD-RDTXWAMCSA-N 347.911 5.131 0 40 EKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525159 PFTGUPDOFQNTSV-UHFFFAOYSA-N 343.854 5.189 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C 225658103 SWHUOVMIQWXFSW-KRWDZBQOSA-N 340.536 5.346 0 40 EKAB CC[C@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1 225663233 BFNATHKMIHCOPZ-IBGZPJMESA-N 325.452 5.008 0 40 EKAB Fc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225851692 PMHKUJIQWRZBQW-UHFFFAOYSA-N 342.483 5.058 0 40 EKAB c1ccc(-c2c3c(nn2-c2ccccc2)-c2ccccc2CCC3)cc1 1639797 JOACEYQLGLKRMZ-UHFFFAOYSA-N 336.438 5.695 0 40 EKAB Cc1cccc(Cc2ccccc2C(=O)c2ccc3ccccc3c2)c1 1654323 DDXXNXVHNWWOMM-UHFFFAOYSA-N 336.434 5.970 0 40 EKAB Cc1ccc(C)c(CCC(=O)c2ccc(Br)cc2F)c1 2517558 SEMSCAPGMFMALF-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB COc1cccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)c1 3377216 RAYQOSCDGYISOO-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cc(C)ccn23)cc1 3911618 IFMZGQXOOAZIFD-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)c3nc(N)sc3C[C@@H]12 4262922 LDZFZRSSOBEODZ-XWZQZKPHSA-N 330.541 5.172 0 40 EKAB CCCSc1nc2sc3c(c2c(=S)[nH]1)C[C@](C)(CC)OC3 5738637 JRTDMRYRUJLHSJ-HNNXBMFYSA-N 340.539 5.097 0 40 EKAB Cc1ccc(OCC(=O)Oc2ccc(Oc3ccccc3)cc2)cc1C 5942619 ASTCQYQGYSQEQO-UHFFFAOYSA-N 348.398 5.080 0 40 EKAB c1csc(-c2nc(CSc3nc4ccccc4[nH]3)cs2)c1 6657685 OUBZNDMWFKNIQA-UHFFFAOYSA-N 329.475 5.040 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1oc2ccccc2c1COC 7349947 WPFNDNNQCNMKKU-CQSZACIVSA-N 337.419 5.345 0 40 EKAB c1csc(-c2nc(SC3CCCCC3)c3ccccc3n2)c1 7782524 NEZSXXIOIWGPGF-UHFFFAOYSA-N 326.490 5.783 0 40 EKAB Cc1ccc(CNC(=S)c2cccc(OCc3ccccc3)c2)cc1 9188170 MGAZSCZZOKRTJG-UHFFFAOYSA-N 347.483 5.039 0 40 EKAB Cc1ccc(-c2noc([C@H](C)Nc3ccc(Cl)cc3)n2)cc1F 12739771 HBWKTJIKWQIBDE-NSHDSACASA-N 331.778 5.011 0 40 EKAB CCc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 12901044 KYZOXBORXHJMMU-UHFFFAOYSA-N 327.387 5.047 0 40 EKAB O=C(O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 13423228 FIKXOEFBVYQPAP-UHFFFAOYSA-N 349.572 5.063 0 40 EKAB Fc1ccc(COc2ccc3ccccc3c2CNC2CCCC2)cc1 16525847 LEOUDWOZVHBBBK-UHFFFAOYSA-N 349.449 5.590 0 40 EKAB Cc1sc(-c2ccccc2N)nc1-c1ccc(Br)cc1 32869542 YVWPNRBQJDTBBM-UHFFFAOYSA-N 345.265 5.130 0 40 EKAB Cc1ccccc1OC(=O)N1c2ccccc2Sc2ccccc21 40919264 GUKIJFIFHIRCFR-UHFFFAOYSA-N 333.412 5.797 0 40 EKAB in-vivo CN(C(=O)c1cc2c(F)cccc2s1)c1cccc2ccccc12 58412786 ODTKRVMEEPOCFQ-UHFFFAOYSA-N 335.403 5.470 0 40 EKAB CCSc1ccccc1NC(=O)CCSCc1ccccc1 216340226 YKBQCNZNILEMKY-UHFFFAOYSA-N 331.506 5.061 0 40 EKAB Clc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 216914642 PWZRMCGJCOSBTH-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CCCCCCC1 223022928 KNKPQGPZLLQFJZ-SFHVURJKSA-N 337.891 5.035 0 40 EKAB CCn1c(SC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21 408692259 IQSZVMDOEYEOAJ-UHFFFAOYSA-N 338.476 5.286 0 40 EKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1C 408925823 QTFJGBUTKPTFQO-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CCN(Cc1cccc(Br)c1)c1cc(F)cc(Cl)c1 585090216 NJOJWKVJPCJDDF-UHFFFAOYSA-N 342.639 5.268 0 40 EKAB CN(CCC(=O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 1724569 LSAGQZQFGDICND-UHFFFAOYSA-N 329.443 5.058 0 40 EKAB CCCCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 1883803 IHYCOAFTRDMMKD-UHFFFAOYSA-N 328.795 5.292 0 40 EKAB CC(C)(C)P(CCCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C 2572423 UIYGJYHQLCCIQS-UHFFFAOYSA-N 346.520 7.924 0 40 EKAB Cc1n[nH]c(C)c1CCCCOc1c(C(C)C)cccc1C(C)C 3667873 PKJDCLNCDUROOR-UHFFFAOYSA-N 328.500 5.675 0 40 EKAB c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 4070799 ALFRGJHTYWHRKV-UHFFFAOYSA-N 343.451 6.301 0 40 EKAB c1ccc([C@@H]2CC(c3cccs3)=Nc3nc4ccccc4n32)cc1 4864787 SXGHXQCPBAHEIA-SFHVURJKSA-N 329.428 5.212 0 40 EKAB COc1ccc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)c(F)c1 5088820 XFSGOCJWVLZXRD-UHFFFAOYSA-N 344.426 5.106 0 40 EKAB CC1=C(/C=C/C(C)=C\C=C(C(=O)O)/C(C)=C\C(=O)O)C(C)(C)CCC1 8614644 BGOMUHYKLNJWPG-POJZKHNRSA-N 344.451 5.057 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1Cl 14258078 YIAZWGDRZLFDOA-UHFFFAOYSA-N 328.799 5.051 0 40 EKAB O=C(Nc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 14553076 POGOIOFEBYSJFL-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB CCOC(=O)c1cc(Nc2ccc(C)cc2)c2cc(Cl)ccc2n1 15829183 GNRHBJGWKJUSAO-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB CC(C)c1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)cc1 21149631 LSWRYGWEQPZQRT-UHFFFAOYSA-N 345.446 5.444 0 40 EKAB CC[C@@H](N[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 31924545 NVERXPXBCCTSMD-YADHBBJMSA-N 329.443 5.352 0 40 EKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1C 44883449 LJUPHNOVOODXFR-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB Cc1c(C(=O)N(C)CCc2ccccc2)oc2c1ccc1ccccc12 65529346 HRGQIFVVZBBBTE-UHFFFAOYSA-N 343.426 5.209 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 100744264 JLMIEJPAIDUIPY-PZOITXESSA-N 344.326 5.005 0 40 EKAB biogenic Fc1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 107025113 JTZWCRSPSOHDLN-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 219592795 KWDUEHFOEPAYBA-SFTDATJTSA-N 339.479 5.056 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(C)c(Cl)c2)cc1 222877071 JVVWAFDFXJKOOK-GOSISDBHSA-N 331.843 5.007 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2cc(C)ccc2C)C(C)C)c(C)c1 225763095 JLEOMXUJZMMYMI-HXUWFJFHSA-N 340.536 5.604 0 40 EKAB CSc1cc(-c2ccc(Cl)cn2)nc(-c2ccc(Cl)cn2)c1 1505957805 FDNJTSSSHDUAPM-UHFFFAOYSA-N 348.258 5.234 0 40 EKAB O=C(O)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12 75872 JCGMJIHUBODLPC-UHFFFAOYSA-N 349.773 5.513 0 40 EKAB Cc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3Cl)cn12 151506 PHEWEOYGNWTTQM-UHFFFAOYSA-N 333.243 5.831 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 340140 IREGZJBJWNEAQK-UHFFFAOYSA-N 343.496 5.136 0 40 EKAB Cc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 479276 REEDXPYBUVWNCB-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB COc1ccc(Sc2nc3ccccc3cc2-c2ccccc2)cc1 3049422 LQMCOTILOBALRU-UHFFFAOYSA-N 343.451 6.062 0 40 EKAB CC1=CC(C)(C)Nc2ccc([C@@]3(C)CC(C)(C)Nc4ccccc43)cc21 3123702 KHGPBNFUEFXBRH-XMMPIXPASA-N 346.518 6.194 0 40 EKAB O=Cc1c2oc(-c3ccccc3)cc(-c3ccccc3)c-2c2ccccc12 3270845 ZNHXTUPNQZCJQG-UHFFFAOYSA-N 348.401 6.684 0 40 EKAB OC1=N[C@@H](c2ccc(Cl)cc2)Nc2scc(-c3ccccc3)c21 4571728 MZHPONNFHWDNCO-MRXNPFEDSA-N 340.835 5.497 0 40 EKAB Fc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 5460917 AOVXYPYMNUPSKJ-PZJWPPBQSA-N 343.405 5.322 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 5951203 IMIBEMYECNGLMZ-UHFFFAOYSA-N 325.452 5.515 0 40 EKAB C[C@@H](NCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 7538819 GRYOSXVHLYMLQQ-CYBMUJFWSA-N 346.257 6.104 0 40 EKAB Cc1ccc(C)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 13937642 KMVFPZFTKJLDIC-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB O=C(Nc1ccccc1)N(Cc1cccs1)c1ccccc1Cl 15833095 JODSKJZXTKPWMI-UHFFFAOYSA-N 342.851 5.640 0 40 EKAB COc1ccc(Cl)cc1Nc1cc(-c2ccc(C)cc2)nc(C)n1 15859123 YRPCDKPSQPUACN-UHFFFAOYSA-N 339.826 5.166 0 40 EKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757541 MECXNZYWNJHVJQ-UHFFFAOYSA-N 331.444 5.200 0 40 EKAB CC/C=C/C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC 35224418 RXNIYBHTXVTSAK-IISVKSLHSA-N 348.571 7.309 0 40 EKAB Cc1ccc(SCCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 44900142 IMEYKVYZTQWSKY-HXUWFJFHSA-N 341.520 5.381 0 40 EKAB S=C(NCc1csc2ccccc12)Nc1ccc2ccccc2c1 84605946 OYSARPDTWBBFEW-UHFFFAOYSA-N 348.496 5.541 0 40 EKAB CCCCCCOc1cc2nsnc2cc1OCCCCCC 98213348 HEPDCSZQOKDHOR-UHFFFAOYSA-N 336.501 5.610 0 40 EKAB CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 225615693 YNXFTZGSYDFKTI-LJQANCHMSA-N 339.479 5.182 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1Cl 260843 IGCZJOUYLUAMBZ-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB Cc1cc(C)cc(C(=N)c2ccccc2Cc2cccc3ccccc23)c1 1656985 CUEMLDZCDSJAFY-UHFFFAOYSA-N 349.477 6.464 0 40 EKAB in-vitro CC1(C)COC(CCCC(=O)c2ccc(-c3ccccc3)cc2)OC1 2518135 AAQVERIESLUTEL-UHFFFAOYSA-N 338.447 5.106 0 40 EKAB Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 3139977 ZFNNMVBAQNQASL-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1Cl 3415556 DVNWKGQSLRYQDW-GFCCVEGCSA-N 343.785 5.038 0 40 EKAB Cc1ccc([C@H](c2c(C)[nH]c3ccccc23)N2CCC(C)CC2)cc1 4279372 FWHWPZDAJBKAOF-HSZRJFAPSA-N 332.491 5.606 0 40 EKAB Cc1sc2ncnc(SCc3ccc(C(C)(C)C)cc3)c2c1C 4976444 LARODKYMOFLKKY-UHFFFAOYSA-N 342.533 5.898 0 40 EKAB Fc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 5460938 AOVXYPYMNUPSKJ-FPOVZHCZSA-N 343.405 5.322 0 40 EKAB Cc1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)cc1 5794780 NQELAOXTBHHLCC-UHFFFAOYSA-N 333.456 5.393 0 40 EKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c(Cl)c1 6255785 RTCCDYMUNOOQRS-UHFFFAOYSA-N 349.261 5.154 0 40 EKAB Oc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 7778789 VCFKZVDKUKGVPD-UHFFFAOYSA-N 331.802 5.928 0 40 EKAB c1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 7847148 JUGMMPICXHQHAI-UHFFFAOYSA-N 325.367 5.298 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1csc(-c2cccs2)n1 7921447 DUVOYWCURDAZBQ-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)N(c1ccccn1)C1CCCCC1 12600149 IXJHXTQOYJHZBN-SDNWHVSQSA-N 340.854 5.114 0 40 EKAB CC(C)NC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 12653451 HRROJQJBNRGRQT-FQULXSMESA-N 347.587 5.148 0 40 EKAB biogenic Cc1cc(C)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 16267590 SAJNYBFGMNMMIE-UHFFFAOYSA-N 342.748 5.620 0 40 EKAB CCOc1ccc(CNc2cccc(OCCc3ccccc3)c2)cc1 19737466 BPYUNZFCWHVNNF-UHFFFAOYSA-N 347.458 5.319 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 30867555 KVQGZNBJABRPKY-KRWDZBQOSA-N 331.843 5.007 0 40 EKAB Cc1cccc(OCc2ccc(C(=O)Oc3cccc(C)c3)cc2)c1 33460228 LTFZIXOETLBCPF-UHFFFAOYSA-N 332.399 5.102 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C)cc(C)c1 44841597 OTAPRQJLGBNRBT-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB c1ccc(CN2CCCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 72216728 JZFNYSGKGIPZGD-JOCHJYFZSA-N 349.522 5.189 0 40 EKAB C[C@@H]1CN(C(=O)c2cccc(OCc3cccs3)c2)c2ccccc21 95350868 LUBMJXIKKKSXLF-OAHLLOKOSA-N 349.455 5.091 0 40 EKAB Cc1cccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c1C 96459925 WDCGZJHXDBDIKF-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB O=C(c1ccc(F)c(F)c1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206877865 DBVKMFDBYNYRGR-HNNXBMFYSA-N 349.808 5.028 0 40 EKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4C)cc3)nc2c1 225260936 ZCLLVUUKRFNCBV-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1cc2c(ccc3ccccc32)o1 408615905 CVOYBHYUQFPZBP-UHFFFAOYSA-N 335.790 5.800 0 40 EKAB Fc1ccc2nncc(SCc3ccc(Cl)c(Cl)c3)c2c1 1693155 PAYOZERDCYIDJW-UHFFFAOYSA-N 339.222 5.368 0 40 EKAB CC(=O)Nc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 2634641 UXGVQZCXVWBAPO-UHFFFAOYSA-N 338.451 5.144 0 40 EKAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc3ccccc3c2)cs1 3175002 GSTDQHWHPPSKIR-MDZDMXLPSA-N 346.411 5.208 0 40 EKAB CC(C)(C)c1ccc(C(=O)NC2CCCCCCCCCCC2)cc1 4834176 LDGLLAUCHWZDON-UHFFFAOYSA-N 343.555 6.387 0 40 EKAB O=C(CCC1CCCCC1)NCCC(c1ccccc1)c1ccccc1 5681811 LBCJLXDBIABFKG-UHFFFAOYSA-N 349.518 5.685 0 40 EKAB COc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1O 6170677 HJLODZQDORHZBB-YRNVUSSQSA-N 333.412 5.334 0 40 EKAB Cc1cc(C)cc(NC(=S)N(Cc2ccccc2)c2ccccc2)c1 13935968 HEMLFKJUIWPCAD-UHFFFAOYSA-N 346.499 5.707 0 40 EKAB CCCCCCNC(=S)N(c1ccccc1)c1cccc(Cl)c1 16638073 UIGRPVHPBWFMGL-UHFFFAOYSA-N 346.927 5.933 0 40 EKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1ccccc1Cl 19075082 POMSBUMYLYLKNE-UHFFFAOYSA-N 334.806 5.555 0 40 EKAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 20490583 RLRXYKZIOBZVTC-QGZVFWFLSA-N 343.492 5.212 0 40 EKAB Clc1ccc(-c2csc3ncnc(NC4CCCCC4)c23)cc1 21786834 MGUQBZFFWMCTCY-UHFFFAOYSA-N 343.883 5.756 0 40 EKAB Cc1ccc(-c2nc(CSc3nccn3-c3ccccc3)co2)cc1 25972768 OCUSBTVFFKKBKH-UHFFFAOYSA-N 347.443 5.128 0 40 EKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccccc1Cl 32753958 UYKOVVWGJXPURN-CQSZACIVSA-N 341.838 5.238 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl 222905921 AMGSUOMTUCEWTR-SFHVURJKSA-N 345.870 5.434 0 40 EKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)c(C)c1 225478127 KWGDIWHJYSJQOS-INIZCTEOSA-N 342.508 5.138 0 40 EKAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccccc3Cl)cc21 107635 DVDGREWDMHUOQH-UHFFFAOYSA-N 327.811 5.167 0 40 EKAB CC(C)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 113611 VSANYNOXTCZDKE-ATVHPVEESA-N 344.252 5.185 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)cc1 363826 ZHZFOEGVHLYXJQ-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CC(C)C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 558391 JYYFFWAAMSMAQY-UHFFFAOYSA-N 330.387 5.243 0 40 EKAB Cc1cc(C)c(C(=O)[C@H]2Oc3ccccc3[C@H]2c2ccccc2)c(C)c1 1728144 GRVACMBVIMCUDA-VWNXMTODSA-N 342.438 5.388 0 40 EKAB Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 2181447 HFGGRGPCZCQQKC-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB COc1ccc(-c2c(-c3ccccc3)c3ccccc3oc2=O)cc1 2573946 PDFLBAQXGGZGGJ-UHFFFAOYSA-N 328.367 5.136 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 2637627 LMPNHDKIBYJXDH-QGZVFWFLSA-N 329.443 6.119 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 6249633 WIHJKOZYYMWDKT-GJZQAXQHSA-N 343.898 5.074 0 40 EKAB O=C(O)C/C(=C/c1ccc2ccccc2c1)c1nc2ccccc2s1 6886187 XLJNEWAQDYGAJP-ATVHPVEESA-N 345.423 5.465 0 40 EKAB Cc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1Cl 7996013 JXTFSJVHGJGMDR-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CC[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 20039852 OPAOSNYALGDBDB-KRWDZBQOSA-N 333.884 5.090 0 40 EKAB Cc1c(Cl)cccc1-c1ccc(CNCCc2ccc(F)cc2)o1 22076836 MTBHPKUSPFKASQ-UHFFFAOYSA-N 343.829 5.380 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)(C)C 32958554 QTNLGTMJUPZOTQ-CYBMUJFWSA-N 331.843 5.044 0 40 EKAB CC(C)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 36640202 JYBMZIPKAGABHG-VMBXEPDQSA-N 326.480 5.147 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(Oc3nc4ccccc4o3)cc2)c1 59372195 OCCMHLSSVREWDO-UHFFFAOYSA-N 344.370 5.181 0 40 EKAB c1ccc(-c2nc(N3CCSCC3)sc2-c2ccccc2)cc1 72078677 WAAZGTGMCKGNGS-UHFFFAOYSA-N 338.501 5.030 0 40 EKAB CCCCN1CCCC[C@H]1c1cccnc1SC1CCCCC1 72217326 RSNWTWQOPIKJQA-IBGZPJMESA-N 332.557 5.834 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)c(C)c1 225709399 BWLMTJHZBKLXRQ-HXUWFJFHSA-N 340.536 5.865 0 40 EKAB Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 226348008 OAHWLRIPXDQLOJ-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB C/C=C1\CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2049238427 SKSOMRHTXHIGIB-RUMVGFRRSA-N 342.523 5.827 0 40 EKAB CSc1nc(Sc2ccccc2)cc(Sc2ccccc2)n1 1402786 BSXDEYJORINLND-UHFFFAOYSA-N 342.514 5.501 0 40 EKAB S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 3296803 QGUSHJCAUFUUTE-UHFFFAOYSA-N 342.467 5.928 0 40 EKAB COc1ccc(NC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 4071725 FETFLOJOXONAKK-UHFFFAOYSA-N 349.415 5.102 0 40 EKAB CC(C)CC[C@H](CCNCc1cccs1)[C@@H]1CCOC(C)(C)C1 5205123 ANGFVBLURPTQHP-QZTJIDSGSA-N 337.573 5.485 0 40 EKAB Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)c(C)c1 7401810 USBDUPHXMXVHCO-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 8371314 CTMGHAOEWKGNPN-JMERFSKESA-N 339.822 5.173 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708566 MSWDOFBMHMVYMM-QGZVFWFLSA-N 347.458 5.678 0 40 EKAB C(=C(/Oc1ccccc1)c1nc2ccccc2s1)\c1ccccc1 16450789 ISNQIZNLEIMAJP-XDJHFCHBSA-N 329.424 5.873 0 40 EKAB CC[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 20453419 ALWLBTHFVFXMIK-UZLGTAQGSA-N 331.415 5.088 0 40 EKAB CCc1cccc2c(C(=O)[C@H](N[C@H](C)CC)c3ccccc3)c[nH]c12 58166974 WHKXEEKQWUZWAX-QVKFZJNVSA-N 334.463 5.042 0 40 EKAB Cc1c(F)cccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 71326016 KYNSMZKZQHAWQL-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 220014619 VSKYBGZNQVVUED-OAHLLOKOSA-N 343.898 5.448 0 40 EKAB O=C(Cc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 223944541 RCMMWVWXJPCXRI-UHFFFAOYSA-N 348.151 5.193 0 40 EKAB C[C@H](CNC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 224019975 LPIPSGNYJNUIDH-OAHLLOKOSA-N 329.399 5.120 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 224841297 ZGEZRXOGFCYUTH-OAHLLOKOSA-N 345.870 5.486 0 40 EKAB COc1ccc(Cl)cc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225657398 QWLFYQOQFZGDIP-UHFFFAOYSA-N 347.842 5.041 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1C 225713301 WEOPVYFAINJSKV-GOSISDBHSA-N 326.509 5.358 0 40 EKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1CC 408585965 KSCDHWWQTUGZRD-UHFFFAOYSA-N 331.843 5.334 0 40 EKAB COc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1 1573514 XFHHUVGCJWDLFF-UHFFFAOYSA-N 338.410 5.486 0 40 EKAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 2081755 VWXNMOKANCPREP-DTQAZKPQSA-N 335.491 5.761 0 40 EKAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Cl)c(Cl)c1 2515032 NDRVCSVHJNHGSC-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 2736450 HMGXPQXMLSOTJS-GOSISDBHSA-N 329.443 5.086 0 40 EKAB C[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)C[C@]12CS2 4082445 YQPXGHUOOLIGIF-OEZURGNFSA-N 348.596 5.512 0 40 EKAB biogenic CCCCNC(=O)[C@H](CCCC)C(CCC)(CCC)CCCC 4721979 AMXFHTHLFMHPQX-IBGZPJMESA-N 325.581 6.486 0 40 EKAB OC1(c2ccc(Br)cc2)[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 4900493 LGQFIHRWMOPYMC-ZWRCUJBNSA-N 349.312 5.263 0 40 EKAB Cc1ccccc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 6560428 SVEBSTSJXYSDNR-UHFFFAOYSA-N 342.394 5.347 0 40 EKAB COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@@]12C 13550925 TWPKVIVCLJTFPY-SEVLPDGMSA-N 334.500 5.040 0 40 EKAB biogenic,in-vitro CCN(CC)c1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1 14428641 HVDDRYNXATUCFZ-UHFFFAOYSA-N 348.899 5.160 0 40 EKAB Cc1cccc(Nc2nc3ccccc3nc2Nc2cccc(C)c2)c1 16512444 WIMJWYKJGMYYNS-UHFFFAOYSA-N 340.430 5.734 0 40 EKAB C(=C\c1nc2ccccc2nc1/C=C/c1ccccc1)\c1ccccc1 17157878 FCJOKCQAZDQZFF-JRDMOELTSA-N 334.422 5.971 0 40 EKAB Clc1cc(-c2csc(NCc3ccco3)n2)c(Cl)s1 20673003 ZLHWRSDNOVABAB-UHFFFAOYSA-N 331.249 5.384 0 40 EKAB CCCCCOC(=O)c1ccc(Nc2cc(C)nc3ccccc23)cc1 41127726 WSYKVMJUNGYHED-UHFFFAOYSA-N 348.446 5.634 0 40 EKAB CCc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(C)no2)cc1 71195168 RMGRYOJUFRZWDV-UHFFFAOYSA-N 329.403 5.065 0 40 EKAB Cc1cccc([C@@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)c1 224837817 ZIRTVULHYQZURX-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB Cc1cc(C)cc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 225255536 IWAUPEOVUDOIIU-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB COC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCCCC1 225632406 KVJFCQGKTUWLQV-UHFFFAOYSA-N 347.499 5.016 0 40 EKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1O 408604919 FVHLABMLSPAXNW-UHFFFAOYSA-N 346.641 5.363 0 40 EKAB Cc1nc2cc(C(=O)N(C)c3ccc4ccccc4c3)ccc2s1 408979164 PJACIYQRLVFTHS-UHFFFAOYSA-N 332.428 5.035 0 40 EKAB C[C@@H]1CCc2c(sc3ncnc(Oc4cccc5cccnc45)c23)C1 38281 RPDKBQLBVWLPOB-GFCCVEGCSA-N 347.443 5.157 0 40 EKAB Clc1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)cc1 1807499 MVNPXUQHHHLSOA-UHFFFAOYSA-N 337.854 5.695 0 40 EKAB CCCCCCN(CCCCCC)C(=O)c1ccc2c(c1)OCO2 2748832 CGFBTZVWSIRZBI-UHFFFAOYSA-N 333.472 5.018 0 40 EKAB Cc1ccc(C)c(N2C(=N)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 4156724 CQHVSKMNYBSQDQ-MSWOZKQMSA-N 342.851 5.013 0 40 EKAB CCCCCC1CCC(c2ccc(-c3ccc(CCC)cn3)cc2)CC1 4321157 NFBGDVUXNQUXSZ-UHFFFAOYSA-N 349.562 7.555 0 40 EKAB Oc1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 4335315 JGGBPUSOUKWDPI-UHFFFAOYSA-N 347.805 5.399 0 40 EKAB CC(C)(C)c1ccc(N2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 5201204 CPSRVYLGUSDDBW-GHRIWEEISA-N 337.444 5.225 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2ccccc2c1 5705166 WQIDBKBLROQFLY-JXMROGBWSA-N 342.225 5.799 0 40 EKAB Oc1cccc2ccc(/C=C/c3cc(Br)ccc3F)nc12 6930942 RQJHZMUULCHYAY-VMPITWQZSA-N 344.183 5.012 0 40 EKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(Cl)c1 7402156 DSKJPGJMDPNSBI-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB C[C@@H](CC[C@@H](C)[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1 17290154 LLSXNKYYYBNQPM-BGYRXZFFSA-N 342.486 5.170 0 40 EKAB Cc1nc(SCc2cn3ccsc3n2)n(C2CCCCC2)c1C 64308420 RBJUPCHINLAVOY-UHFFFAOYSA-N 346.525 5.007 0 40 EKAB C[C@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 97393494 GENIKSRZPUERKV-WDEREUQCSA-N 329.312 5.395 0 40 EKAB C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102346617 LQGXVFIKRVYZNB-DUPRYPCISA-N 343.474 5.533 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](CC)c1ccc(C)cc1 113970426 YXHGZBDEUHYKRF-PMACEKPBSA-N 339.479 5.037 0 40 EKAB C[C@H](CNC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 224279811 JHYXCMBILMJZRI-LJQANCHMSA-N 343.470 5.005 0 40 EKAB CCO[C@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@H](C)C1 225718185 KNYFPYDYZRMRLT-YCRPNKLZSA-N 347.499 5.015 0 40 EKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225744189 HKUQOHAVFQTUCQ-OAQYLSRUSA-N 347.499 5.322 0 40 EKAB Cc1ccc(NC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 409176903 AMNSVIFAAJUXNQ-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CCOc1ccc(-c2nc3ccccc3s2)cc1Br 409192692 FHQFLJKMTHQNCK-UHFFFAOYSA-N 334.238 5.125 0 40 EKAB Cc1nnc(Cl)c(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1 409421778 LJCOOMVBEQGGJF-UHFFFAOYSA-N 333.193 5.565 0 40 EKAB Cc1ccc(Oc2nnc(Cc3ccccc3)c3ccccc23)cc1 1384849 OULLUXRDBVKWRB-UHFFFAOYSA-N 326.399 5.321 0 40 EKAB Cc1ccc(CSC2=Nc3cc(Cl)ccc3SCC2)cc1 1386869 QUKZYHZFGRNRAN-UHFFFAOYSA-N 333.909 6.108 0 40 EKAB CC1(C)COC(CCCCC(=O)c2ccc(C(C)(C)C)cc2)OC1 2518102 RGVQNINKLZTDLX-UHFFFAOYSA-N 332.484 5.126 0 40 EKAB Cc1ccc(NC(=S)N(C)Cc2ccc(C(C)C)cc2)c(C)c1 3325783 GXYRMQSHFTZHSX-UHFFFAOYSA-N 326.509 5.256 0 40 EKAB CCCC[C@@H](CC)CNC(=S)Nc1ccc(Cl)c(Cl)c1 6264581 XSXGFVPFQUERJI-LLVKDONJSA-N 333.328 5.496 0 40 EKAB CC(C)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21 6763185 LWRAMXSFQFAJME-XPWALMASSA-N 327.556 5.818 0 40 EKAB Cc1csc(N2N=C(c3cccs3)C[C@@H]2c2cccc(F)c2)n1 9547537 DMVYDCYAEUCLGJ-OAHLLOKOSA-N 343.452 5.008 0 40 EKAB O=C1C[C@@H](c2cccs2)Cc2nccc(-c3ccc(Cl)cc3)c21 13628472 SPXAYKQQLXEBBB-ZDUSSCGKSA-N 339.847 5.376 0 40 EKAB FC(F)(F)c1cc(-n2cnc3ccccc32)cc(C(F)(F)F)c1 26896894 QZFLJMIKVQFWDS-UHFFFAOYSA-N 330.231 5.063 0 40 EKAB O=C(c1ccccc1)N(Cc1cccc2ccccc12)c1ccccn1 27662316 DUYATRCOTDSXBM-UHFFFAOYSA-N 338.410 5.082 0 40 EKAB CSc1cccc(NC(=S)Nc2ccc(Cl)cc2F)c1 71761368 KWEOIRNBDABCMS-UHFFFAOYSA-N 326.849 5.010 0 40 EKAB COc1cccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c1 75568163 DPNZRWBSZHXOIR-UHFFFAOYSA-N 327.387 5.049 0 40 EKAB Cc1nc(S[C@H](C)c2nc(C3CC3)no2)n(C2CCCCC2)c1C 84051813 CCMMANSIUMZUSO-CYBMUJFWSA-N 346.500 5.119 0 40 EKAB CN(Cc1cccs1)C(=O)c1ccc(Oc2ccccc2Cl)o1 96183834 SSCFVVSPNFZODF-UHFFFAOYSA-N 347.823 5.059 0 40 EKAB C/C=C1/CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612251 FGSFYZNXYHDZKI-HZHIVYSFSA-N 344.539 5.907 0 40 EKAB Cc1nc2ccc(NC(=S)Nc3cccc4ccccc34)cc2s1 408976247 FAKLTEOLWLCRGC-UHFFFAOYSA-N 349.484 5.567 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)SCc1ccccc1 409126030 GQNSGVLKBCEECD-OAHLLOKOSA-N 327.493 5.072 0 40 EKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(Cl)c1 190197 BVHJPMQHCQERIW-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB Cc1cccc(C)c1NC(=O)c1cc2c3ccccc3n(C)c2s1 1396372 AUOLKMFUGZOXNB-UHFFFAOYSA-N 334.444 5.262 0 40 EKAB Cc1ccccc1N[C@@H](c1ccccn1)c1c(C)[nH]c2ccccc12 1448671 TVTGAWYMICKASR-QFIPXVFZSA-N 327.431 5.381 0 40 EKAB CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 1772547 WSQGOAZBKMWOHP-VZUCSPMQSA-N 349.257 5.910 0 40 EKAB C[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1OCCN(C)C 2042222 FUEBKVWDTOLQRH-CYBMUJFWSA-N 338.278 5.086 0 40 EKAB Cc1ccc(C2=C[C@H](c3cccs3)N3C(=N2)Nc2ccccc23)cc1 5285900 YXJMGGROLUZPJZ-LJQANCHMSA-N 343.455 5.440 0 40 EKAB CC(C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 5471422 XTWQKRDUYSMRLH-UHFFFAOYSA-N 325.452 5.125 0 40 EKAB CCCCC1CCC(C(=O)Oc2ccc(C3CCCCC3)cc2)CC1 6039824 AQAZSJIFTWVXAR-UHFFFAOYSA-N 342.523 6.636 0 40 EKAB CCOc1ccc(Oc2ccc(NC(=O)CC3CCCC3)cc2)cc1 6084161 WYQVBJPPDULLJX-UHFFFAOYSA-N 339.435 5.396 0 40 EKAB CCOc1ccc(NC(=O)Cc2coc3ccc(C(C)C)cc23)cc1 6809858 IIIUMRKFIDOVLC-UHFFFAOYSA-N 337.419 5.136 0 40 EKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)C1CCCCC1 7599214 MHDJVSNICBEXBP-UHFFFAOYSA-N 326.421 5.075 0 40 EKAB Cc1nc(-c2ccc(Oc3ccnc4cc(Cl)ccc34)cc2)no1 9113627 NQTVASSCWTWABA-UHFFFAOYSA-N 337.766 5.039 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(O)cc1 58152023 FLUWZYORXYBGSC-UHFFFAOYSA-N 340.467 5.303 0 40 EKAB Cc1sc(Nc2cccnc2)nc1-c1ccc(Br)cc1 67322072 GBNNDGQNNHRMKJ-UHFFFAOYSA-N 346.253 5.020 0 40 EKAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21 100107523 AIBNHSXHEALWEQ-RBSFLKMASA-N 336.460 5.188 0 40 EKAB Cc1ccc([C@H]2Sc3ccccc3N=C3C[C@@H](C)CC(O)=C32)cc1 102602465 VATRZACVUICDRY-SPLOXXLWSA-N 335.472 6.157 0 40 EKAB O=C(c1ccco1)N1c2ccccc2Sc2ccc(Cl)cc21 216942669 MMLIMAPAPCIKJE-UHFFFAOYSA-N 327.792 5.376 0 40 EKAB CCCCN[C@H](CC)c1ccc(OCc2ccccc2)c(OC)c1 222637063 BKAMJPMVGKCZKP-LJQANCHMSA-N 327.468 5.115 0 40 EKAB O=C(Nc1ccccc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265641 IQPSCXCVKYBFIX-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB Cc1ccc(-c2cc(-c3ccccc3)n3c(n2)nc2ccccc23)cc1 494281 NCJQQVWUHFSQRF-UHFFFAOYSA-N 335.410 5.525 0 40 EKAB C1CCC2(CC1)SC1(CCCCC1)SC1(CCCCC1)S2 1615057 BRDFWWQBADGJNE-UHFFFAOYSA-N 342.639 7.181 0 40 EKAB Cc1[nH]c2ccccc2c1C1=C[C@]2(C)Nc3ccccc3[C@@H]2C(C)(C)C1 1669599 RDLLJFOTJJUYFF-VWNXMTODSA-N 342.486 6.258 0 40 EKAB OC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1706224 RKHWBQBBCQQRNP-UHFFFAOYSA-N 343.253 5.472 0 40 EKAB c1ccc(C2=C(c3nc4ccccc4[nH]3)Sc3ccccc3N2)cc1 2700204 RNYIJTLMEKDFKG-UHFFFAOYSA-N 341.439 5.607 0 40 EKAB CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(-c3ccc(Cl)cc3)cs2)C1 3671011 HDIBTYJKXVJLOS-DNVCBOLYSA-N 346.927 5.869 0 40 EKAB C[C@@H](NCc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 8534882 WRVYUCDFBSZMKQ-XUXNNNHQSA-N 338.322 5.688 0 40 EKAB O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(C2CCCCC2)cc1 9190749 DJDRSALGLMBNPS-OAQYLSRUSA-N 334.415 5.219 0 40 EKAB Cc1nc(-c2cccs2)sc1C(=O)N(C)[C@H](C)c1ccccc1 12915666 SNFAZJKVMYRHCO-CYBMUJFWSA-N 342.489 5.013 0 40 EKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)CC(C)(C)C)n1 19690733 JCFGAGYTBYUQOS-FQEVSTJZSA-N 336.479 5.157 0 40 EKAB Cc1cccc(OCCNc2ccc(OCCc3ccccc3)cc2)c1 19738285 MBCIUIIWMIHGEB-UHFFFAOYSA-N 347.458 5.107 0 40 EKAB CC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 21710991 WSYACORNXQVYLE-UHFFFAOYSA-N 349.361 5.073 0 40 EKAB Cc1sc(-c2cccc(N)c2)nc1-c1ccc(Br)cc1 36912328 NHOZSHDWECRORW-UHFFFAOYSA-N 345.265 5.130 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C)c1C 38753798 MTIBDTYIIUSPAY-NRFANRHFSA-N 333.431 5.253 0 40 EKAB O=C(c1ccc(SC(F)F)cc1)N1CCC[C@H]1c1ccsc1 46914792 PIMDLDHZCJJUIQ-AWEZNQCLSA-N 339.432 5.040 0 40 EKAB C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCCCC3)c2)C1 63398769 LHGOZKRBAOPBDQ-XLIONFOSSA-N 344.499 5.190 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cs1 64677341 JITOIOINGFLEBI-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CSc1nc2c(c(-c3ccccc3)n1)CCC/C2=C\c1ccccc1 67191202 KGBAYULXBMONKQ-OBGWFSINSA-N 344.483 5.742 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)CCc2cccc3ccccc23)cc1C 223488907 WQHZONIVOOAVFA-LJQANCHMSA-N 345.486 5.575 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(F)cc2F)C(C)C)c(C)c1 225764726 LJAJLBJWUTUJBF-SFHVURJKSA-N 348.462 5.265 0 40 EKAB Clc1cccc2c(-c3nc4cc(-n5cccc5)ccc4o3)cccc12 226246799 QSDUJUSNJVQONS-UHFFFAOYSA-N 344.801 6.092 0 40 EKAB CC1(C)CC(=O)[C@@H]2[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@]2(C)C1 230315981 CIMULNHZAFWYPH-SRUXOGRHSA-N 333.475 5.084 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OCCC 256123979 FVYDLXGAUHZBJE-UJCVEDPWSA-N 346.555 7.085 0 40 EKAB CCN(Cc1cccc(Br)c1)c1ccc(Cl)cc1F 585090203 LQTOEMAERYVHKJ-UHFFFAOYSA-N 342.639 5.268 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1 505787 VPLLDHMYLUPTQF-INIZCTEOSA-N 333.431 5.371 0 40 EKAB CC(C)n1c(-c2ccc(Cl)nc2)nc2cc(C(F)(F)F)ccc21 1383353 SQCAMOXNFHVIKF-UHFFFAOYSA-N 339.748 5.351 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1cccnc1 1448708 VUJJZSHDRCEVLA-OAQYLSRUSA-N 347.849 5.726 0 40 EKAB C[C@@H]1CCC[C@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 4104301 NTDBRNJTVVMTAD-QGCDCVKKSA-N 332.447 5.137 0 40 EKAB CCc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 9141089 ZJIIIXJYVDMDTJ-UHFFFAOYSA-N 348.427 5.371 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 14035473 DXORVBSRPSHCAN-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1C(C)C 14258126 WUTOONGFCFDUGO-UHFFFAOYSA-N 338.234 5.378 0 40 EKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc23)cc1 17160341 YAMQSVNNXBFKHG-BSYVCWPDSA-N 327.383 5.341 0 40 EKAB Cc1ccc(NCCCCOc2ccc(Cl)cc2Cl)cc1C 19738428 SKSJINWHQFRVAL-UHFFFAOYSA-N 338.278 5.881 0 40 EKAB Cc1oc(-c2ccccc2)nc1CN(C)[C@@H]1CCCc2ccccc21 32901333 DKAUPEUXZJNSFF-OAQYLSRUSA-N 332.447 5.159 0 40 EKAB CC1(C)C(=O)N(c2ccccc2)C12c1ccccc1Oc1ccccc12 38337829 AHLGICRXBQMDSA-UHFFFAOYSA-N 341.410 5.109 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)c(C)c1 44900371 GVHBLOZQJRGEOO-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB COc1ccc(CNc2cccc(-c3nc4ccccc4s3)c2)cc1 45954105 SHVGWGLQLDTAKD-UHFFFAOYSA-N 346.455 5.584 0 40 EKAB CC(C)Sc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72217507 KGATWCCRHQKBMP-IBGZPJMESA-N 326.509 5.309 0 40 EKAB Clc1ccc2cccnc2c1CN1CC=C(c2cccs2)CC1 89807898 WIBMVNZWPRRNMX-UHFFFAOYSA-N 340.879 5.239 0 40 EKAB Fc1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 106978811 CHFGRPKTVREFIV-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB Clc1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1 216914152 XRFBNJDRCNANFA-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccccc2)cc1C(C)C 223264418 QOHXLWKUJLYLPW-FLVLSHQESA-N 337.463 5.018 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 223410052 YMROWOSOZNPBTE-AWEZNQCLSA-N 347.439 5.705 0 40 EKAB Clc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1 226295300 CYLDKMSYEVJWRJ-UHFFFAOYSA-N 335.790 5.727 0 40 EKAB FC(F)(F)c1cccc(Nc2ncnc3sc4c(c23)CCCC4)c1 115815 PIYLEUHEVPNAEU-UHFFFAOYSA-N 349.381 5.333 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1Cl 250380 XFPHTKLRDZFVSU-UHFFFAOYSA-N 342.225 5.913 0 40 EKAB COc1ccc(-c2cc(=O)oc3cc4oc5c(c4cc23)CCCC5)cc1 488907 HADBEPRKBIVEIS-UHFFFAOYSA-N 346.382 5.094 0 40 EKAB biogenic CC(C)CC(=O)Nc1c(-c2ccc3ccccc3c2)nc2ccccn12 521886 IMFKFLJNJZOXRA-UHFFFAOYSA-N 343.430 5.139 0 40 EKAB CCOc1ccc(Nc2nc(C)nc3sc4c(c23)CCCC4)cc1 554355 MTMBWWMNQCVTKH-UHFFFAOYSA-N 339.464 5.021 0 40 EKAB NC1=NC2=C(CCC/C2=C\c2ccccc2)[C@H](c2ccccc2)S1 1875788 PIPGYAQPEYOBLO-QMEWPPBRSA-N 332.472 5.311 0 40 EKAB C/C(=C/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 2568233 FOIVPCKZDPCJJY-PEZBUJJGSA-N 348.486 6.294 0 40 EKAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2-c2ccccc2)c1 2656696 XOZMQQKXJFLLNN-UHFFFAOYSA-N 345.442 5.378 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)CSc2ccccc2Cl)cc1 3218260 QVHSUDBEYQSXBU-ZDUSSCGKSA-N 333.884 5.584 0 40 EKAB Cc1ccc(-c2nc(-c3cc4ccccc4oc3=O)sc2C)cc1 3911505 CKAGMJIQGLNBSX-UHFFFAOYSA-N 333.412 5.200 0 40 EKAB C[C@@H]1[C@H]2C[C@H]([C@H]([C@H](Nc3ccccc3)c3ccccc3)C2=O)C1(C)C 4035902 AFKLAVFLSMAXRE-RMLALMNNSA-N 333.475 5.337 0 40 EKAB FCCCOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1 4050193 PTROLUMTLQMLQF-UHFFFAOYSA-N 342.801 5.202 0 40 EKAB O=C(O)/C(=C\c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 4920401 RAFNCTWGHCYKFY-STZFKDTASA-N 348.373 5.030 0 40 EKAB O=C(c1ccccc1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 5257558 ZIIBWTKAINRZTK-UHFFFAOYSA-N 331.802 5.491 0 40 EKAB CC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 6563204 FENSZJKPBMDYLP-UHFFFAOYSA-N 339.778 5.055 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2CC=CCC2)cc1 7735553 MSIQXOOXSFIUGV-INIZCTEOSA-N 337.419 5.172 0 40 EKAB O=C1C2=C(CCCC2)[C@@H](SCc2ccccc2)N1Cc1ccccc1 8984277 QXFGACCNKVWSDG-JOCHJYFZSA-N 349.499 5.159 0 40 EKAB CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 14257911 OYHWTELJBOBAKD-UHFFFAOYSA-N 328.799 5.133 0 40 EKAB CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)cc1 17198489 CBPHZXXHABMIDO-GOSISDBHSA-N 331.868 5.242 0 40 EKAB Cc1ccc(F)cc1NC(=O)c1ccc(CSc2ccccc2)o1 28193861 JPKHOCYMXAJUII-UHFFFAOYSA-N 341.407 5.272 0 40 EKAB Cc1cc(C)c2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 70462776 MPZYCHVXKGDKSB-UHFFFAOYSA-N 335.632 5.263 0 40 EKAB CCCOc1ccc(CNc2ccc(C)c(C)c2)cc1Br 106964367 ABIWVPDCBPOPGA-UHFFFAOYSA-N 348.284 5.467 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 223755997 PKNFGPKPVODLMQ-ZDUSSCGKSA-N 349.833 5.317 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1 225326296 OGSLDWJSSLXJJD-UHFFFAOYSA-N 346.616 5.357 0 40 EKAB CC[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1C 225758693 IRBUYMDCWDNRPP-IBGZPJMESA-N 342.508 5.220 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 4103660 LETCRWJKGMERRF-UHFFFAOYSA-N 341.454 5.808 0 40 EKAB On1c(-c2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 6383076 LEFOGMKQWGWBOC-UHFFFAOYSA-N 346.817 5.775 0 40 EKAB CC(C)(C)c1ccc(N2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 6693043 CPSRVYLGUSDDBW-LGMDPLHJSA-N 337.444 5.225 0 40 EKAB Cc1ccc(C)c(NC(=O)c2sc(-c3ccsc3)nc2C)c1 7381065 VGUDJHPTYMMZSO-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)c1sc(-c2ccsc2)nc1C 7402878 WUKYJQUXGQEYDR-UHFFFAOYSA-N 348.880 5.394 0 40 EKAB CCN(CC)CCC[C@@H](C)Nc1c(C)cnc2cc(Cl)c(C)cc12 8614582 VVPGOCHOGLCENW-MRXNPFEDSA-N 347.934 5.427 0 40 EKAB COc1ccc(-c2c(C)nn3c2N=C(C)C[C@H]3c2cccs2)cc1 17070928 JSKBEBYOGZIJLR-INIZCTEOSA-N 337.448 5.014 0 40 EKAB Cc1nc([C@H](Cc2ccsc2)NCc2cccc(F)c2)sc1C 19559903 GGAZKYUXWIFONB-KRWDZBQOSA-N 346.496 5.034 0 40 EKAB Cc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c(C)c1 20624826 AIYYRLHCSZZUOK-IBGZPJMESA-N 326.509 5.377 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC(C)C)c1ccccc1 30851469 YWMADULBJMNKFN-WOJBJXKFSA-N 339.479 5.056 0 40 EKAB Cc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccccc2)cc1 35586118 YVTIWRDIEHXJEJ-OAQYLSRUSA-N 333.406 5.560 0 40 EKAB CC(C)(C)c1ccc(NC(=O)N(CCc2cccs2)C2CC2)cc1 75154834 NTJNIVNTTFWQHV-UHFFFAOYSA-N 342.508 5.285 0 40 EKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21OCCS1 118914910 JIFTUOBNCNREQG-JJFNZWTKSA-N 348.552 5.058 0 40 EKAB Clc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 216914315 ATIPVRXILQRUHY-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1=CCCCC1 222916927 ILTCDYCPGAOQFQ-FQEVSTJZSA-N 343.511 5.148 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 222939139 JMKNGOAWEDMGQU-CQSZACIVSA-N 331.843 5.178 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2c(C)cccc2Cl)c1 228957292 YFKGBFWLUXLTBV-UHFFFAOYSA-N 332.831 5.425 0 40 EKAB Clc1ccccc1-c1cn2nc(-c3ccccc3)n3c2c1CCCC3 521700 KIGXSUNJUZJIJI-UHFFFAOYSA-N 347.849 5.460 0 40 EKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc(Cl)ccc1Cl 973837 HPQCWDLZZVGWLR-UHFFFAOYSA-N 342.225 5.498 0 40 EKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(C)c1 1266925 LCPYLQKUHMKECJ-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Fc1ccccc1CSc1ccc(-c2nc3ccccc3[nH]2)cn1 1329604 DOYNRMPNZHRBOR-UHFFFAOYSA-N 335.407 5.056 0 40 EKAB CCCCOP(=O)(OCCCC)[C@]1(C)CC(=O)CC(C)(C)C1 1653061 LYBSLBOEXPJDER-QGZVFWFLSA-N 332.421 5.351 0 40 EKAB CCN(CC)CCC[C@H](C)Sc1ccnc2cc(Cl)ccc12 1873640 XTURKEKTTBMCQC-AWEZNQCLSA-N 336.932 5.491 0 40 EKAB COc1ccc([C@@H](CCNCc2ccccc2)c2ccc(F)cc2)cc1 2444199 JKQHGOLFKHLBOU-QHCPKHFHSA-N 349.449 5.146 0 40 EKAB O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CCCCC2)c1 2515033 LDNFVHDAOOBCIF-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1 3554641 DRFWVSOUPXMKMN-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB CCCCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 5614726 AJSYATPLOAKKNF-UHFFFAOYSA-N 344.842 5.111 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 6289088 NQHBHMNGHWOGLC-DTQAZKPQSA-N 347.845 5.259 0 40 EKAB Cc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 7914840 GGQLRNIZYJTKQH-UHFFFAOYSA-N 343.426 5.264 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OCC 8286519 NPFLNFWRRUXBOR-UHFFFAOYSA-N 347.842 5.170 0 40 EKAB Clc1cc(Cl)cc(Nc2ncnc3c2oc2ccccc23)c1 9350727 SJMWHCTWBYDPBI-UHFFFAOYSA-N 330.174 5.426 0 40 EKAB CC(C)c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 10363755 LBXCJKJJJMYNRY-UHFFFAOYSA-N 335.369 5.400 0 40 EKAB O=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12 11954439 CMYNVIGJARFYOW-UHFFFAOYSA-N 331.198 5.538 0 40 EKAB CC(C)(C)Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1 12364974 GIFGGDCCYMJQQX-UHFFFAOYSA-N 342.870 5.357 0 40 EKAB CCCCCC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 14595465 LBVAGKZRDORFLL-UHFFFAOYSA-N 327.453 5.119 0 40 EKAB CC[C@@H](C)c1ccccc1OCCNc1cc(Cl)ccc1Cl 19738052 CYZCPHHJIAATOT-CYBMUJFWSA-N 338.278 5.998 0 40 EKAB CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 44085357 IFMSNUDGKUWKOV-UHFFFAOYSA-N 349.286 5.958 0 40 EKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 206405972 RMJONAOWHYZZSH-OAQYLSRUSA-N 346.499 5.379 0 40 EKAB CC[Si](CC)(CC)C(c1cc(C)cc(C)c1)[Si](CC)(CC)CC 219788788 NLINEHGUIPGLDF-UHFFFAOYSA-N 348.723 7.482 0 40 EKAB C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)CCCC2 222901584 CSSDSPYCBYVVDH-RDRICISKSA-N 339.866 5.109 0 40 EKAB CCCO[C@](C)(CC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225732504 HEXVXHSWWPNXRQ-OXJNMPFZSA-N 335.488 5.015 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 225792658 SQGWSBIHISGWSS-FIOICXDGSA-N 345.442 5.260 0 40 EKAB Cc1ccc(C)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 248034265 RIZITHHVCAOMEF-WEAICFBNSA-N 347.458 5.298 0 40 EKAB Cc1nc2ccc(Cl)cc2c2c1CCN2c1ccc(Cl)cc1 383318 FGLOCTXHRKYREZ-UHFFFAOYSA-N 329.230 5.544 0 40 EKAB C[C@H](C(=O)Nc1cccc(F)c1)c1ccc(-c2ccccc2)c(F)c1 385407 CKNVLHCMOQRGLQ-AWEZNQCLSA-N 337.369 5.374 0 40 EKAB Cc1ccccc1N[C@H](c1ccccn1)c1c(C)[nH]c2ccccc12 1448672 TVTGAWYMICKASR-JOCHJYFZSA-N 327.431 5.381 0 40 EKAB CCCCC1C(=S)N(c2ccccc2)N(c2ccccc2)C1=S 1584870 OPCRSWDCMZJUBB-UHFFFAOYSA-N 340.517 5.389 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 1935308 LPPRCDASYAXJLM-FPYGCLRLSA-N 326.610 5.299 0 40 EKAB CCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12 2093088 ONMUFRWHIBXXNU-UHFFFAOYSA-N 332.447 5.049 0 40 EKAB Clc1ccc(-c2nc(Oc3ccccc3)c3ccccc3n2)cc1 2268206 CMVHTIFXAWOASF-UHFFFAOYSA-N 332.790 5.743 0 40 EKAB c1ccc2sc(Sc3ncnc4c3oc3ccccc34)nc2c1 3260953 NLKUONBNOOBVTR-UHFFFAOYSA-N 335.413 5.137 0 40 EKAB Cc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)cc1C 3440339 JCWASFZOVCBKML-UHFFFAOYSA-N 337.426 5.562 0 40 EKAB CC(C)(C)C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 4454717 ZJMRCWLLPCSMIG-UHFFFAOYSA-N 344.867 5.601 0 40 EKAB Fc1ccc([C@H]2C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 5460006 VBKSOZNDTKACTA-TZIWHRDSSA-N 343.405 5.322 0 40 EKAB CCc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 6168807 RZTIESMAUHUGSG-OAQYLSRUSA-N 347.483 5.721 0 40 EKAB CC(C)c1c(O)cc(-c2cccs2)n(-c2ccc(Cl)cc2)c1=O 6493138 PSVBANRAXKVPPB-UHFFFAOYSA-N 345.851 5.048 0 40 EKAB CCNc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1 6630293 ZYOFVERXSUMCGX-UHFFFAOYSA-N 331.415 5.065 0 40 EKAB C[C@H](NCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 8497359 IXAUNEDMELJMMM-UHSVVUDUSA-N 338.322 5.688 0 40 EKAB CC(C)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 9695560 YYCFHFOSFDILPK-UHFFFAOYSA-N 345.442 5.641 0 40 EKAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(F)cc1 12274727 FTSNCUGFTJBOBV-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccccc5)c23)C[C@H](C)CC4)C1 12633498 HVZGDFGBSDZBGU-CABCVRRESA-N 347.527 6.213 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1Cl 12976606 XMSOKPMAWBSTNG-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB COc1ccc(/C=C/C(=O)Nc2ccccc2-c2ccccc2)cc1 15316327 YCUNXBJLUUGIRZ-DTQAZKPQSA-N 329.399 5.014 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 30872441 VXCZBRFCVFRCON-HNNXBMFYSA-N 341.810 5.128 0 40 EKAB Cc1ccc2cc(CN[C@@H](c3cccs3)C(C)C)c(Cl)nc2c1 57364680 FUYDCTKQATYMKD-GOSISDBHSA-N 344.911 5.745 0 40 EKAB CCCC1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 59379792 YUTALMFTWPTCBL-UHFFFAOYSA-N 327.427 5.839 0 40 EKAB Cc1cc(C)c(NC(=O)c2cc3cc4ccccc4nc3s2)c(C)c1 223133694 QROOQFBOONJXDD-UHFFFAOYSA-N 346.455 5.627 0 40 EKAB Cc1ccc(S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 225089311 CMCFKJOVCCVMDV-HNNXBMFYSA-N 341.259 5.090 0 40 EKAB CCCOC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCC1 225655953 MGMONQLNVLUPOP-UHFFFAOYSA-N 347.499 5.016 0 40 EKAB Cc1cc(C)c(NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)c1 408614808 IGVHAUPDOIADRF-UHFFFAOYSA-N 329.399 5.764 0 40 EKAB Cc1ccc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)cc1C 506053 HRYSTOLPLQDJQW-HSZRJFAPSA-N 341.458 5.690 0 40 EKAB O=C1O[C@@H](c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c21 1618245 VCUNDCKCTUJNHO-KRWDZBQOSA-N 328.289 5.118 0 40 EKAB CCCCCc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 2058483 CTPCDITZYAIHFX-UHFFFAOYSA-N 326.827 5.790 0 40 EKAB CCCCC[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1C 2746980 RKRCWYIZMHXIAB-GFCCVEGCSA-N 334.847 5.002 0 40 EKAB O=C(Cc1cccc2ccccc12)Oc1ccc(-c2ccccc2)cc1 3091933 JRKAEDSYDAJBRA-UHFFFAOYSA-N 338.406 5.655 0 40 EKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccccc1Cl 4548699 KDMUVDWBKRQJHL-SNVBAGLBSA-N 334.803 5.382 0 40 EKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1Cl 4611142 BHMFPSVNFUFUPA-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB CCOc1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 6390592 LRIVLYKUNNQWCL-LVZFUZTISA-N 343.426 5.265 0 40 EKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 6501683 WDRMJHYBTSQPKI-UHFFFAOYSA-N 339.822 5.778 0 40 EKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)cc(C)cc1C 9141660 PNPBGTNYOONDNV-UHFFFAOYSA-N 338.234 5.180 0 40 EKAB Oc1ccc(O)c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 15544108 SIRKDTSCIAPWMM-UHFFFAOYSA-N 347.801 5.633 0 40 EKAB O=C(CC1CCCCC1)Nc1ccc(SCc2cccnc2)cc1 29357507 GNVCIRIHMHWKDR-UHFFFAOYSA-N 340.492 5.283 0 40 EKAB c1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716491 NBNWBPSBPMRDTE-ZEQRLZLVSA-N 337.422 5.610 0 40 EKAB Cc1cc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)no1 58377406 ZGABECVGFNAENQ-UHFFFAOYSA-N 344.823 5.040 0 40 EKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225735926 ISPPDYGJEOHZJQ-UWJYYQICSA-N 349.515 5.342 0 40 EKAB CCOc1cc(C=O)ccc1OCc1ccc(-c2ccccc2)cc1 226233492 PHGAGANFMBRRIZ-UHFFFAOYSA-N 332.399 5.144 0 40 EKAB COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@]12C 247855168 TWPKVIVCLJTFPY-DVWBAYGPSA-N 334.500 5.040 0 40 EKAB biogenic,in-vitro Cc1ccc(C)c(NCc2cccc(OCc3cccc(F)c3)c2)c1 409113686 FTEGYOVORZLKBC-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB Cc1cccc(NCc2ccc(OCc3ccccc3Cl)cc2)c1 409121614 YZMVXKFFHHYKJF-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1F)c1ccccn1 564708 WZKMCQLSKOKFCM-NRFANRHFSA-N 331.394 5.212 0 40 EKAB Cc1ccc(-c2nc3c(Cl)c(N)c(Cl)cc3o2)c(Cl)c1 570199 JTZIAIMNVJWDGK-UHFFFAOYSA-N 327.598 5.346 0 40 EKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c(C)c1 1266375 YPELZSDGISAAKA-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CCN(CC)CCCn1c(-c2ccccc2)ccc1-c1ccccc1 1671918 XPZOAWGZBMFIBK-UHFFFAOYSA-N 332.491 5.554 0 40 EKAB S=c1cc(-c2ccccc2)n(CCc2ccccc2)c2c1CCCC2 1889981 WCCCDJJMXBMREC-UHFFFAOYSA-N 345.511 6.006 0 40 EKAB CCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2540766 AILHVGGPNJQTKG-UHFFFAOYSA-N 346.426 5.437 0 40 EKAB in-vitro Cc1ccc(Cc2cn3cc(-c4ccc(Cl)cc4)nc3s2)cc1 5020426 QQZVCCNPTRAKOR-UHFFFAOYSA-N 338.863 5.615 0 40 EKAB CCCCCCn1c(-c2ccccc2C)nc2nc3ccccc3nc21 5030273 JKZOIEGOTUPZQX-UHFFFAOYSA-N 344.462 5.535 0 40 EKAB CCSc1nnc(SCc2c(Cl)cccc2Cl)s1 6583097 WRIUTBJBZPJVRI-UHFFFAOYSA-N 337.322 5.249 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C(F)(F)F)cc1 6889057 QYZRHVLAGWNDFX-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 8276828 XSPQCFVVYLTAPN-QUJCMNEKSA-N 339.822 5.173 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(C)C)cc1 8382800 QNKJBZYPGDPNMR-UHFFFAOYSA-N 333.431 5.614 0 40 EKAB Cc1cc(C)c(S(=O)(=O)c2cccc(-c3ccccc3)c2)c(C)c1 18194771 PYDZVVBMXRLHBW-UHFFFAOYSA-N 336.456 5.112 0 40 EKAB Cc1nc(-c2ccc(Oc3ncnc4sccc34)c(F)c2)cs1 30518801 JRHWAHOJCIWFOO-UHFFFAOYSA-N 343.408 5.055 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1C 30756775 CDYVBHAVKCNIGV-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB O=C(CNc1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 66191042 AJCGETNZNFJZTG-UHFFFAOYSA-N 345.229 5.197 0 40 EKAB Clc1cc(Cl)cc(OCc2ccccc2Br)c1 70136173 AUKYUFOIVYUHHF-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N)cc21 95830587 CZCWHVDVMJTTNX-UHFFFAOYSA-N 349.562 7.476 0 40 EKAB CC(=O)N1c2ccccc2N=C2C[C@H](C)CC(O)=C2[C@@H]1c1ccccc1 102602370 YPFASWIRGYSHAH-FPTDNZKUSA-N 346.430 5.109 0 40 EKAB Cc1cccc([C@H](C)[S@](=O)[C@H](C)c2ncc(-c3ccccc3)o2)c1 108485796 GFVLRAOCKANJDM-VMPBMTGNSA-N 339.460 5.221 0 40 EKAB Cc1cc(C)c(NC(=O)C2[C@H]3CCC=CCCC=CCC[C@H]23)c(C)c1 1559660657 FWYWHXFRKQRPHK-AHTKWCMKSA-N 337.507 5.879 0 40 EKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1 107208 RUUWLYJOFBCALL-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB Cc1ccc(C2(c3ccc(C)o3)CCC[C@@](C)(c3ccc(C)o3)C2)o1 3852003 RDMIUZIWGGIJFL-OAQYLSRUSA-N 338.447 6.209 0 40 EKAB biogenic O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2)cc1 3895500 YNLIWSUCYOIHQR-UHFFFAOYSA-N 331.459 5.052 0 40 EKAB O=C(Oc1ccc2ccccc2c1)N(c1ccccc1)c1ccccc1 4515165 WDOHWZUTURIIMR-UHFFFAOYSA-N 339.394 6.177 0 40 EKAB c1ccc(-c2nnc(COc3ccc4oc5ccccc5c4c3)o2)cc1 4717899 SDSVOUIZOGEMPH-UHFFFAOYSA-N 342.354 5.215 0 40 EKAB CC[C@@]1(C)C[C@@](CCNCc2ccc(F)cc2)(CCC(C)C)CCO1 5296951 IJWAMTILPWMMFI-FCHUYYIVSA-N 349.534 5.707 0 40 EKAB COc1ccc(-c2csc(Nc3ccc(C)c(Cl)c3)n2)cc1 11566324 MNUSBRSDBOQYLO-UHFFFAOYSA-N 330.840 5.524 0 40 EKAB Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 13616332 WTPHVBRBJJLSKL-IRLDBZIGSA-N 344.389 5.068 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2ccc3ccccc3c2)c1 24977249 DQCHYJVQDCJZEZ-QZTJIDSGSA-N 346.474 5.134 0 40 EKAB C[C@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc21 31782085 ABDWUBFVJRKGFP-LBPRGKRZSA-N 340.473 5.026 0 40 EKAB CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33729704 KLWYQLVNIOEHSO-UHFFFAOYSA-N 333.387 5.018 0 40 EKAB COCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118930532 GNHLECXLLAGZRC-GIPCDWCDSA-N 332.528 5.251 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(Cl)ccc2C)c1 199720702 JBFUXDLQGHSPNC-UHFFFAOYSA-N 332.831 5.425 0 40 EKAB Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 223504579 OURZJGHNKFVQAD-UHFFFAOYSA-N 331.415 5.277 0 40 EKAB CCCCc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225128626 KIIKMHIUKIYMTK-OAQYLSRUSA-N 340.463 5.227 0 40 EKAB CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc1 63541 RAEWDNQJYUQPHI-UHFFFAOYSA-N 347.414 5.060 0 40 EKAB Cc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 193675 ZWGPSUJJUAXDKS-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB CCC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 560792 GSQMRYABWKLXBM-UHFFFAOYSA-N 342.236 5.045 0 40 EKAB Brc1ccc(OC2c3ccccc3-c3ccccc32)cc1 3095005 DAMKQRIINKBDQJ-UHFFFAOYSA-N 337.216 5.598 0 40 EKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2ccccc2c1 3336662 PZNIRDQSUUXPDI-UHFFFAOYSA-N 343.348 5.131 0 40 EKAB CCCCOc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1 3362717 GRDNNVVXXOSVGB-UHFFFAOYSA-N 340.448 5.036 0 40 EKAB CCSc1ccc(NC(=O)c2ccc3ccccc3n2)cc1Cl 4783721 LWPALYNLEOQOCT-UHFFFAOYSA-N 342.851 5.253 0 40 EKAB OC1(c2ccc(Br)cc2)[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@@H]21 4900494 LGQFIHRWMOPYMC-BDXSIMOUSA-N 349.312 5.263 0 40 EKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2C)cc1OC 5978791 CSWIAGZLPACACY-UHFFFAOYSA-N 347.842 5.007 0 40 EKAB CCCC1CCC(c2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 6050764 XGDHPAMPXIRKHE-UHFFFAOYSA-N 346.474 6.478 0 40 EKAB Cc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1 18193167 KNQZEYUMWPBJHJ-OAQYLSRUSA-N 349.861 6.075 0 40 EKAB Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 19934782 QRRYCOXZBCZAFB-XMMPIXPASA-N 343.470 5.060 0 40 EKAB CCCCCCN1Cc2cn(-c3ccccc3)nc2-c2ccccc21 27750697 ZZCXKTPODLPHIO-UHFFFAOYSA-N 331.463 5.440 0 40 EKAB Cc1cccc(CSc2nnc(-c3ccc(F)cc3)n2C2CC2)c1 32604181 GJQYCXALPUNPRC-UHFFFAOYSA-N 339.439 5.020 0 40 EKAB Clc1ccc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc12 73634684 VJKUIEYASBJFQP-UHFFFAOYSA-N 342.023 5.299 0 40 EKAB O=C([C@H]1C[C@@H]2CC[C@@]13CCCC[C@@H]23)[C@@H]1C[C@@H]2CC[C@]13CCCC[C@H]23 103843305 FHJVXHGAKSPDDK-INKSBJOGSA-N 326.524 5.769 0 40 EKAB CCOc1ccccc1NC(=O)c1cc2cc3ccccc3nc2s1 223130664 CQTPFOUGALQQII-UHFFFAOYSA-N 348.427 5.101 0 40 EKAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCC2 223156630 FKXPUGFDXQXRTG-QGZVFWFLSA-N 341.454 5.333 0 40 EKAB C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 223189719 CDEDIQKPAKTPDE-QGZVFWFLSA-N 349.518 5.283 0 40 EKAB Cc1cc(-n2cccc2)cc2nc(-c3ccc(Cl)cc3Cl)oc12 226247797 KBBKWVJQXNPKLA-UHFFFAOYSA-N 343.213 5.901 0 40 EKAB Fc1ccc(-c2ccc([C@H]3CCCCN3Cc3ccccn3)cn2)cc1 257284129 PBIISQFTMDLEJS-JOCHJYFZSA-N 347.437 5.010 0 40 EKAB Cc1cc(C)cc(CSCC(=O)Nc2cccc3ccccc23)c1 408782419 IFUIPMVAFDXFMZ-UHFFFAOYSA-N 335.472 5.329 0 40 EKAB Cc1ccc2nc(-c3c[nH]c4ccccc34)c(Nc3ccccc3)n2c1 426767 WCKUXFTXDQKKSK-UHFFFAOYSA-N 338.414 5.535 0 40 EKAB CC(C)OC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1 2751369 PVDOGRWDYOCPKS-UHFFFAOYSA-N 339.218 5.138 0 40 EKAB CCSC1=NC(/C=C/c2c(Cl)cccc2Cl)=CC(C)(C)N1 4039849 MTLCTSSFMBERGL-CMDGGOBGSA-N 341.307 5.381 0 40 EKAB CC(C)Oc1ccc2ccccc2c1/C=C1\Sc2ccccc2C1=O 6307303 XLGUCJRLXABAIX-BKUYFWCQSA-N 346.451 5.957 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1 7989453 WITQGKPVFQOIAU-QGZVFWFLSA-N 347.414 5.193 0 40 EKAB O=C(Nc1cccc(Cl)c1)N(C1=NCCC1)c1ccc(Cl)cc1 9316155 ZPPJQDUEABWXBP-UHFFFAOYSA-N 348.233 5.224 0 40 EKAB CC(C)(C)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3ccco3)c2C1 12631689 DBYAXUNRLPXQBE-CQSZACIVSA-N 345.442 6.392 0 40 EKAB C/C=C/C=C/C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 24769964 VXQYWDHOGGJUMR-MQQKCMAXSA-N 345.276 5.249 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3cccc(C)n23)c(C)c1 35615782 MRAFIKLQLIKLGL-UHFFFAOYSA-N 343.430 5.376 0 40 EKAB Clc1ccc(CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 45954085 KPTODMXEVSEQBL-UHFFFAOYSA-N 334.806 5.760 0 40 EKAB COc1ccc2oc(/C=C/C(=O)Nc3ccc(C(C)C)cc3)cc2c1 67339544 FJPKWYNGEDPSRH-PKNBQFBNSA-N 335.403 5.217 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1C[C@H]1CCCO[C@@H]12 118936622 ACQLULLJSPDMFX-OQJMNXIRSA-N 330.512 5.003 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2c(CC)cccc2CC)cc1 222882727 OLSILWJFLOGDEC-FQEVSTJZSA-N 339.479 5.170 0 40 EKAB CCC[C@](C)(OCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225694753 DWKSJVNODIXCDN-UZLBHIALSA-N 335.488 5.015 0 40 EKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225740164 DBJQSBNZFIDVBI-NRFANRHFSA-N 347.499 5.240 0 40 EKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C 409115023 JQIBNYNDTOSNGT-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB O=C(CCC1CCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361340 XXBVRUQRUULDKW-UHFFFAOYSA-N 338.291 5.877 0 40 EKAB Cc1ccc2nc(-c3ccc(C)s3)c(Nc3ccccc3C)n2c1 427558 WLKVYZAEDKDURD-UHFFFAOYSA-N 333.460 5.732 0 40 EKAB c1ccc(N(CSc2nc3ccccc3s2)c2ccccc2)cc1 1666224 PDNSQYNPZWJOLK-UHFFFAOYSA-N 348.496 6.184 0 40 EKAB C1C2CC3CC1CC(C2)C31CSC2(S1)C1CC3CC(C1)CC2C3 2074691 ZOGMSCLJCUTKBA-UHFFFAOYSA-N 346.605 5.814 0 40 EKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1c(F)cccc1Cl 3253729 BOTJDWSKNBRRQV-UHFFFAOYSA-N 326.754 5.365 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc2sccc2c1 5191861 XKGQQXVEEROMEL-UHFFFAOYSA-N 347.892 5.676 0 40 EKAB CCCC(=O)[C@@H]1[C@@H](c2ccccc2)CC(=O)[C@H](CC)[C@@H]1c1ccccc1 5707118 UXCXYEFGTCWSBA-KZTDQWPFSA-N 348.486 5.538 0 40 EKAB C[C@@H](Sc1nc2ccccc2o1)C(=O)C12CC3CC(CC(C3)C1)C2 7780064 KNFCANKUBFOIIP-JSFDKUKPSA-N 341.476 5.094 0 40 EKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 9910801 DWLKWGCLQZANFH-UHFFFAOYSA-N 340.275 5.504 0 40 EKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 13710690 PDOHZDZKAUHBRP-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)cc1 13931703 DLHVPIGSRCRRSV-KRWDZBQOSA-N 332.900 5.395 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2ccccc2-c2ccccc2)cc1 14396884 GQTMGRNBIDQELY-UHFFFAOYSA-N 345.442 5.460 0 40 EKAB COC(=O)c1cc(Nc2ccc(C)c(Cl)c2)c2cc(C)ccc2n1 38486805 GFBHYRQSOWOSOT-UHFFFAOYSA-N 340.810 5.035 0 40 EKAB O=C(Nc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344085 WFECUUYAFHHZOE-CABCVRRESA-N 340.637 5.389 0 40 EKAB C[C@@H]1CC2=Nc3ccccc3N[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102602412 UIHUSGZBYAYCKS-GIPWTMENSA-N 340.373 5.446 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 225588179 SAPJKIGYFYGBDW-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB CCCOC(C)(C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225838223 WDRITBXVBFIDCK-HNNXBMFYSA-N 343.467 5.161 0 40 EKAB COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 392300334 FDXDMJDPMCHNFA-UHFFFAOYSA-N 335.403 5.108 0 40 EKAB CC(C)Cn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 409106319 LCVKDEOAINJAIC-UHFFFAOYSA-N 341.455 5.033 0 40 EKAB Cc1ccc(COc2ccccc2CNc2ccccc2Cl)cc1 409181445 AHTAZUSDLLNQBI-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB O=C(Nc1cc(Cl)ccc1O)c1cccc(Oc2ccccc2)c1 586737899 AOOQDWQTSDUJRZ-UHFFFAOYSA-N 339.778 5.090 0 40 EKAB CSc1ccccc1C(=O)NCc1cc(-c2ccsc2)cs1 1775969960 ULNRJMQTAHWBMX-UHFFFAOYSA-N 345.514 5.129 0 40 EKAB CCOC(=O)C(C)(C)Oc1ccc(Cl)c2c1sc1ccccc12 480963 YOGVPKBDWICAIF-UHFFFAOYSA-N 348.851 5.428 0 40 EKAB Clc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1 521980 JOWKWEIGXOXEGL-UHFFFAOYSA-N 333.778 5.138 0 40 EKAB CCN(CC)c1c(C)c(-c2ccccc2)oc(=O)c1-c1ccccc1 1566704 ULXPLKWDBWQFEQ-UHFFFAOYSA-N 333.431 5.128 0 40 EKAB c1ccc2cc(Sc3ncnc4sc5c(c34)CCCC5)ccc2c1 1895229 IYKJARLZEMXNRZ-UHFFFAOYSA-N 348.496 5.875 0 40 EKAB O=C(CSCc1cccc2ccccc12)Nc1ccc(Cl)cc1 1944870 YJXGNCMSAIWKRC-UHFFFAOYSA-N 341.863 5.365 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 3336536 BFDUOUJDUFLLRQ-UHFFFAOYSA-N 349.817 5.132 0 40 EKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 3347754 SFYDTBZIKFEEQV-KRWDZBQOSA-N 347.414 5.193 0 40 EKAB Cc1ccccc1Nc1c(-c2ccccc2O)nc2ccc(Cl)cn12 3911566 WUJUGFAUUHYUAE-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB Cc1ccc(Nc2c(-c3cccc(Cl)c3)nc3cccc(C)n23)cc1 3911617 IQOPNIHVRZGNAE-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB aggregator CCC(CC)C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C 4063071 DQIJSFAYCSJFTB-UHFFFAOYSA-N 339.464 5.041 0 40 EKAB CCC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 6558257 JXFYMYQFHIKWOK-INIZCTEOSA-N 337.341 5.108 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C)cccc1C(C)C 8479997 KHUXVXRVGMLVBI-GOSISDBHSA-N 345.870 5.568 0 40 EKAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(C(C)(C)C)cc1 10434192 PJQSDOKHLADLAN-SFHVURJKSA-N 337.507 5.054 0 40 EKAB CC[C@H](C)Cn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13068580 LZDNQEVIQLDIQR-OALUTQOASA-N 348.534 6.433 0 40 EKAB O=C(Nc1cccc2ncccc12)c1sccc1-c1ccccc1 14246442 MQXZUGPPKXNSRY-UHFFFAOYSA-N 330.412 5.216 0 40 EKAB CCCCC/C=C\CCCCCCc1cc(=O)c2ccccc2n1C 14772460 GXRKDSSARDBYHW-FPLPWBNLSA-N 339.523 6.168 0 40 EKAB biogenic,in-vitro C[C@@H](SCCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 32778757 ZGINWICISZGPCA-GFCCVEGCSA-N 337.847 5.302 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccc(Cl)c(Cl)c1 35193744 SVARYGKGRMWTLF-AXAPSJFSSA-N 344.282 6.003 0 40 EKAB CCCCCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 70462008 HTNLXTOFHMFMIS-UHFFFAOYSA-N 338.407 5.028 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1 71760734 CZBHHISQWBKHMZ-UHFFFAOYSA-N 339.291 5.926 0 40 EKAB COc1c(Cl)cc(-c2nc3cc(C(C)C)ccc3o2)cc1Cl 216734675 AFMYGGJHEVYEHD-UHFFFAOYSA-N 336.218 5.934 0 40 EKAB COc1cc(C)c([C@@H](C)NC(=O)Nc2ccccc2)cc1C(C)C 223265510 HAHYTSOVSORXQG-OAHLLOKOSA-N 326.440 5.010 0 40 EKAB CCC1(CC)C[C@H](NC(=O)c2cccc(Cl)c2)c2ccccc2O1 223996901 BJJILUZBQQHOLR-KRWDZBQOSA-N 343.854 5.152 0 40 EKAB Cc1ccc(Cl)cc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225077142 RAXLQIZMVSOGCF-SFHVURJKSA-N 346.854 5.021 0 40 EKAB Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccccn12 427535 SXUOMENIHANYCJ-UHFFFAOYSA-N 342.446 5.119 0 40 EKAB C1CCC(C2CC(C3CCCCC3)CC(C3CCCCC3)C2)CC1 1758804 BHVSYYXNHKDZHH-UHFFFAOYSA-N 330.600 7.760 0 40 EKAB CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Cl)cc(Cl)c1O2 2025740 AWVXSKMGKHXNHI-IBGZPJMESA-N 346.257 5.523 0 40 EKAB CC(C)(C)c1ccc(C(=S)NCCCSc2ccccc2)cc1 3418889 FRIBIXJILJSOHW-UHFFFAOYSA-N 343.561 5.432 0 40 EKAB CCCCc1ccc([C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 5554770 SPFSVEKWCKWVLI-XMMPIXPASA-N 342.482 6.434 0 40 EKAB O=C(Nc1ccc(N2CCCC2)cc1)Nc1cccc2ccccc12 11005848 MDRGWNWZBOGBFN-UHFFFAOYSA-N 331.419 5.084 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1occc1COc1ccccc1 11476793 LPEWNLIZADVMHI-MRXNPFEDSA-N 349.430 5.624 0 40 EKAB Cc1c(C(=O)Nc2nc3c(s2)CCC3)oc2c1ccc1ccccc12 23040830 SZLIYGFXORPKGH-UHFFFAOYSA-N 348.427 5.092 0 40 EKAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 24318097 JBKQPOMJKXGNQB-AWEZNQCLSA-N 328.264 5.182 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)NC(C)(C)CC(C)(C)C 65404983 KWPUKAUVZZWUDE-UHFFFAOYSA-N 330.497 5.063 0 40 EKAB CCCC1CCC(CCC2CCC(c3ccc(F)c(F)c3)CC2)CC1 66351933 HTAPXFSKUGZEEP-UHFFFAOYSA-N 348.521 7.625 0 40 EKAB c1ccc(CN2CCCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 72216669 LKZNUBAMZFGJIV-QFIPXVFZSA-N 349.522 5.189 0 40 EKAB C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCCC2 222983681 ALMQRYFDQCEOML-OAHLLOKOSA-N 341.882 5.029 0 40 EKAB CCOc1ccccc1NC(=S)N[C@H](CC)c1ccc(C)c(C)c1 225709856 VQZJTCMMKWIGBM-QGZVFWFLSA-N 342.508 5.140 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)c(Cl)c1)c1ccccc1C 225757028 KDMFEDIZOGRSAY-KRWDZBQOSA-N 332.900 5.395 0 40 EKAB O=C(O)c1sc2c(C(F)(F)F)ccc(C(F)(F)F)c2c1Cl 228925651 SGYCEWIAFXIBFP-UHFFFAOYSA-N 348.651 5.291 0 40 EKAB Oc1cc(O)c(-c2cccc(-c3ccc(Cl)cc3)c2)c(Cl)n1 585090229 PBEHBZVCHQIFFN-UHFFFAOYSA-N 332.186 5.134 0 40 EKAB O=C(Cc1cccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 72480 LSQBCEAWIYPSED-UHFFFAOYSA-N 330.214 5.328 0 40 EKAB CCOC(=O)C(C)(C)Oc1cccc2c1sc1c(Cl)cccc12 480964 ATKRNKIAXKYNGI-UHFFFAOYSA-N 348.851 5.428 0 40 EKAB CN(Cc1ccc(Cl)cc1)C(=S)SCc1cccs1 1724590 GEJOWBAKMWCQHS-UHFFFAOYSA-N 327.927 5.052 0 40 EKAB CC[n+]1c(/C=C2\C=C(C(C)(C)C)C=C(C)O2)sc2ccccc21 1803596 RTGIGYXJJORFTP-DTQAZKPQSA-N 326.485 5.456 0 40 EKAB CCCCc1cc(=O)oc2cc(C)c3c(-c4ccc(C)cc4)coc3c12 2115889 LDRHTPHNGZITID-UHFFFAOYSA-N 346.426 6.166 0 40 EKAB biogenic CC[C@H](C)c1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 2663429 WYSVBGFWDBRXKD-LBPRGKRZSA-N 332.900 5.971 0 40 EKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1Oc1ccccc1 3334622 AQJQNHJPRGQITB-OAQYLSRUSA-N 343.426 5.286 0 40 EKAB Clc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 3894787 FVCCMTQMKVHVGQ-MDWZMJQESA-N 331.802 6.319 0 40 EKAB CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2sccn12 3910020 QZTSGKTVSRKTDY-UHFFFAOYSA-N 349.459 5.383 0 40 EKAB CCCC[C@@H](Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 5784450 JVMFTQLUKCGJCG-MRXNPFEDSA-N 336.472 5.009 0 40 EKAB c1ccc(-c2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2)cc1 6535582 IIUNMHPRJALRNK-UHFFFAOYSA-N 332.487 6.339 0 40 EKAB FC(F)(F)c1nc(N2CCC[C@@H]2c2cccs2)c2ccccc2n1 7990806 XHHWCUXJNHPNKE-CYBMUJFWSA-N 349.381 5.052 0 40 EKAB Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)c[nH]c2=S)cc1 26424385 BIDVNMJHXQKYNI-UHFFFAOYSA-N 335.259 5.817 0 40 EKAB COc1ccc(Nc2nc(-c3ccc(C)cc3)c(C)s2)c(OC)c1 35167041 BPTJFVUEKHYKQD-UHFFFAOYSA-N 340.448 5.188 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 44880921 NVZKBQDDQBORPL-SFHVURJKSA-N 331.843 5.061 0 40 EKAB O=C(Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F 51354234 DXDCYRXSSHUKNP-UHFFFAOYSA-N 348.246 5.368 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2F)c(Cl)c1 71760645 ULGBVPKOBWFIGE-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1ccc2c(CC(=O)Nc3sc(C)c(C)c3C)coc2c1C 72306414 HMAFZDBLJUNJIL-UHFFFAOYSA-N 327.449 5.218 0 40 EKAB CCc1cc(Br)c2oc(-c3ccc(C)c(C)c3)nc2c1 73639703 FKICEAWRIQFILN-UHFFFAOYSA-N 330.225 5.437 0 40 EKAB C[C@H]1CN(C(=O)c2cccc(OCc3cccs3)c2)c2ccccc21 95350869 LUBMJXIKKKSXLF-HNNXBMFYSA-N 349.455 5.091 0 40 EKAB CCCOc1ccc(CNc2ccc(C)cc2)cc1Br 106964246 LVAVVHWMAZCIAT-UHFFFAOYSA-N 334.257 5.158 0 40 EKAB CCOC(=O)/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118928760 GYQSKOGOCVOEJI-JYNQGBKUSA-N 344.539 5.909 0 40 EKAB CC(C)C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccccc1 216485622 LSNGHSZDAWKINC-GOSISDBHSA-N 347.911 5.336 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)CCc2cccc3ccccc23)c1 222671444 XAXUSBXSPFNQTM-GOSISDBHSA-N 331.459 5.267 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1Cl 223005987 MRQRXWAHNWPATQ-INIZCTEOSA-N 338.234 5.098 0 40 EKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 224429191 PNRUPOKGBLEDTR-ZDUSSCGKSA-N 345.870 5.137 0 40 EKAB CC(C)(C)c1ccc(C(=O)c2ccc3c(c2)oc2ccccc23)cc1 226296383 MJKHMHPQERYIND-UHFFFAOYSA-N 328.411 6.115 0 40 EKAB Cc1cccc(-c2nc(Nc3ccc(F)cc3)c3ccccc3n2)c1 107889 AUMGRTMFSUIVOI-UHFFFAOYSA-N 329.378 5.488 0 40 EKAB CCCCCCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1 2381321 YYVPZILSWQNYLC-UHFFFAOYSA-N 333.431 5.723 0 40 EKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2)n1 3236286 WYHDOAYIFGDXIL-UHFFFAOYSA-N 347.462 5.173 0 40 EKAB CC1(C)CC(=O)c2c(nc3c(oc4ccccc43)c2-c2ccco2)C1 3282823 UTRPVKMZEWDACG-UHFFFAOYSA-N 331.371 5.396 0 40 EKAB O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(Cl)cc2)cs1 4078621 ALANMMRRKPSNOC-BQYQJAHWSA-N 346.864 5.177 0 40 EKAB CSc1nc(Sc2ccccc2)c2sc3ccccc3c2n1 4092638 VAQCVSAGTMHVIO-UHFFFAOYSA-N 340.498 5.718 0 40 EKAB Cc1ccccc1Oc1nnc(-c2ccc(Cl)cc2)c2ccccc12 6218642 PQBBXTNKPDAVTM-UHFFFAOYSA-N 346.817 6.051 0 40 EKAB CSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 6455548 LTOJOQCHPZBOEF-LLVKDONJSA-N 337.897 5.181 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1 6786935 SRIBVKNBFZIRFW-JTQLQIEISA-N 338.234 5.465 0 40 EKAB CCOc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 13688227 MQQQXYKCDPZDCC-UHFFFAOYSA-N 345.442 5.123 0 40 EKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(Cl)c1 13708454 YCHMESQJHKZLDB-LBPRGKRZSA-N 343.785 5.038 0 40 EKAB O=C(c1occc1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 22687951 ZCFSBCBZMYPNAL-UHFFFAOYSA-N 345.442 5.042 0 40 EKAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)cc1 36612860 RNDWNAXEHVBFCZ-UHFFFAOYSA-N 343.352 5.083 0 40 EKAB Cc1ccc(-c2cc(C(F)F)nc(N[C@H](C)C(C)(C)C)n2)cc1C 36613888 PPQLOMVJZNBHAB-CYBMUJFWSA-N 333.426 5.545 0 40 EKAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccccc2)o1 49548287 FENZDRMFILRNGR-CQSZACIVSA-N 335.407 5.022 0 40 EKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cccc(O)c3)C2=C(O)C1 102536981 MPQFOFHLXZLMBE-FQEVSTJZSA-N 334.419 5.264 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223136492 XDBBLTXVCJWXIX-INIZCTEOSA-N 337.463 5.095 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1C 223504799 DQEFMIWXZOXLPA-CQSZACIVSA-N 332.900 5.313 0 40 EKAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1Cl 225514558 YXZLWWKZHIEQRK-UHFFFAOYSA-N 343.854 5.108 0 40 EKAB Cc1cccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)c1 409179344 MFANCAVFRAFVEJ-UHFFFAOYSA-N 345.442 5.443 0 40 EKAB Fc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2)cc1 409198097 WXYBRZBRICVNED-UHFFFAOYSA-N 325.358 5.156 0 40 EKAB Cc1cccc(Oc2nc(-c3ccccn3)nc3ccccc23)c1C 533548 PYZQIELCJZSENL-UHFFFAOYSA-N 327.387 5.101 0 40 EKAB CC[C@H](C)c1ccc2oc(-c3cc(Cl)c(N)c(Cl)c3)nc2c1 569843 XICYOMISAHKLGP-VIFPVBQESA-N 335.234 5.897 0 40 EKAB Cc1cccc(-c2ccc(OC(=O)c3ccc(Cl)cc3)c(C)c2)c1 1846933 GOUUENHTYVELOK-UHFFFAOYSA-N 336.818 5.843 0 40 EKAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(C(F)(F)F)cc1 3437615 PBMJBQUDWQTBPF-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB C[C@H]1CCC[C@@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 4301335 NTDBRNJTVVMTAD-BUKVSMQUSA-N 332.447 5.137 0 40 EKAB Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)Cc2ccco2)cc1 8916733 DVJNHNTYXUKNAV-UHFFFAOYSA-N 347.458 5.554 0 40 EKAB C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccc2ccccc2c1 14238928 VYSPMDDYVNEHLD-MRXNPFEDSA-N 343.430 5.083 0 40 EKAB CCOc1cccc(C[C@H]2C(=O)N(c3ccccc3)c3ccccc32)c1 15018230 YHVBPWDIKMYBAV-OAQYLSRUSA-N 343.426 5.090 0 40 EKAB CCCCOc1ccc(CNc2ccc(O[C@@H](C)CC)cc2)cc1 19737533 SPLACWBQIXKYIN-KRWDZBQOSA-N 327.468 5.655 0 40 EKAB CC(C)(C)c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 19738226 UUQPLKALBJQVKR-NRFANRHFSA-N 339.479 5.154 0 40 EKAB CCCOc1ccc(Br)cc1CNc1ccc(C)c(C)c1 37202242 RDPIRQKXORYRLK-UHFFFAOYSA-N 348.284 5.467 0 40 EKAB Brc1ccc2cc(C34CC5CC(CC(C5)C3)C4)ccc2c1 49089009 XEJLEAPLNQOYLF-UHFFFAOYSA-N 341.292 6.070 0 40 EKAB CC(C)c1ccc2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1 57352939 MXNYXTZHCZUDQG-UHFFFAOYSA-N 343.839 5.958 0 40 EKAB c1ccc(-c2cc(COc3ccc(Oc4ccccn4)cc3)on2)cc1 58370827 NNWODJWELGDBSB-UHFFFAOYSA-N 344.370 5.108 0 40 EKAB CC(=O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 66347051 UXWQKWNHXQZIND-MRXNPFEDSA-N 337.644 5.018 0 40 EKAB Cc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2)cc1 106974931 VBFLJTCUTJSOQH-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB O=C(Nc1ccccc1Cl)N1CCCC[C@@H](c2ccc(F)cc2)C1 206875524 TXCIXYDKNFVQIN-OAHLLOKOSA-N 346.833 5.281 0 40 EKAB O=C(CSCc1ccccc1F)Nc1cc(Cl)cc(Cl)c1 222698319 ZKXUIHGBAKVZFP-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB CCCCC/C=C\C/C=C/C=C/C=C\[C@@H]1O[C@H]1CCCC(=O)OC 299888766 WTKAVFHPLJFCMZ-WHSYUSBYSA-N 332.484 5.292 0 40 EKAB Cc1ccc(-c2[nH]c(=Nc3cccc(Cl)c3)sc2C)cc1C 409045634 GTSDOQVADMAQSY-UHFFFAOYSA-N 328.868 5.554 0 40 EKAB COc1ccc(NC(=O)C2C[C@@H](C(C)(C)C)C[C@H](C(C)(C)C)C2)cc1 58655 WCIHNRBFLFNLEP-IAGOWNOFSA-N 345.527 5.758 0 40 EKAB Cc1nc(Nc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCCC3 1465961 HHPDRUUQGFDYIZ-UHFFFAOYSA-N 347.846 5.415 0 40 EKAB COc1ccccc1/C=C/C1=C(C)CC[C@@H](c2ccccc2OC)[C@@H]1C 1577845 TVPBJULSXPLFIN-LYVOFQIGSA-N 348.486 6.247 0 40 EKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1 2106424 FUDUXXFHUYTURP-UHFFFAOYSA-N 339.822 5.405 0 40 EKAB Cc1c(C2=CCCCC2)c(C2=CCCCC2)c(C)n1C[C@H]1CCCO1 2659424 OJDJMLWFJLOHBA-OAQYLSRUSA-N 339.523 6.199 0 40 EKAB O=C(CNc1cccc2ccccc12)Nc1cccc(Cl)c1Cl 3413669 COGWCWQEJMTQJG-UHFFFAOYSA-N 345.229 5.197 0 40 EKAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cc(Oc4ccccc4)ccc3[nH]2)C1 4696020 BCXONGYUOMIPLL-HZPDHXFCSA-N 348.446 5.078 0 40 EKAB O=C1c2c(ccc3c2CCCC3)C[C@@H]1Cc1ccc2c(c1)CCCC2 6006590 NSUADTNWTVTKHX-NRFANRHFSA-N 330.471 5.042 0 40 EKAB CCOc1ccc(Br)cc1CNc1ccccc1Cl 6351478 CJEBIEGAQBFQGV-UHFFFAOYSA-N 340.648 5.113 0 40 EKAB Cc1cc(NC(=O)CSc2cccc3ccccc23)ccc1Cl 8336220 TYCOLSGYARRXLQ-UHFFFAOYSA-N 341.863 5.532 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 13709959 UVZBPEQLXVPAJW-AWEZNQCLSA-N 331.843 5.089 0 40 EKAB OC1(c2ccc(Br)cc2)[C@H]2CCCC[C@H]2[C@H]2CCCC[C@@H]21 17355048 LGQFIHRWMOPYMC-YMNIQUSHSA-N 349.312 5.263 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 38755432 GZTZGRKHCVNIIO-LJQANCHMSA-N 339.479 5.224 0 40 EKAB CCN(CC)CCN(c1ccccc1)c1cc(C)nc2ccccc12 46085544 OUIPCOGXQTXGAB-UHFFFAOYSA-N 333.479 5.023 0 40 EKAB COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@H](OC)CCC1(C)C 77302423 AQBIMXKUTLCCHG-CELDDMJTSA-N 344.495 5.316 0 40 EKAB in-vitro CC(C)(CNC(=O)c1ccc(-c2ccsc2)cc1)c1ccsc1 96120588 VHBUWNJYBSHWAC-UHFFFAOYSA-N 341.501 5.184 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C)ccc1C 113970357 PINHEJCJOOHGND-SFHVURJKSA-N 331.843 5.061 0 40 EKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)c(C)c1 225478091 KWGDIWHJYSJQOS-MRXNPFEDSA-N 342.508 5.138 0 40 EKAB Cc1cc(C)cc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c1 225491579 OKMBOAVSOAXFTC-LJQANCHMSA-N 326.509 5.377 0 40 EKAB CC(C)[C@H]1CC2(CCN(C(C)C)CC2)CO[C@@H]1c1ccc(F)cc1 1615192963 SAOOXPFWNDXQTC-WOJBJXKFSA-N 333.491 5.050 0 40 EKAB FC(F)(F)c1cc(-c2noc(C3CCC3)n2)cc(C(F)(F)F)c1 165911 FJBZZTRVGRGIGP-UHFFFAOYSA-N 336.235 5.042 0 40 EKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccccc2[C@H](C)CC)c1 569067 HHRIIDQCLYKQCO-CVEARBPZSA-N 325.452 5.630 0 40 EKAB CCN(CC)CCOc1ccc([C@H](C)CCc2ccccc2)cc1 1758938 YZNHQUZREJWQHF-LJQANCHMSA-N 325.496 5.144 0 40 EKAB CC[C@@H](C)Nc1nc(-c2ccc(Br)cc2)c(C)s1 3352599 YMLSNUUDCDYUQR-SECBINFHSA-N 325.275 5.091 0 40 EKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658644 FBRJYVJHEPEPIW-UHFFFAOYSA-N 349.434 5.339 0 40 EKAB Cc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 4060608 CEASWQZAEPPGBF-UHFFFAOYSA-N 338.476 5.635 0 40 EKAB O=C1C[C@H](c2csc(-c3ccc(Cl)cc3)n2)C2(CCCCC2)O1 4813724 OKXJSHJTFIUVQY-CQSZACIVSA-N 347.867 5.197 0 40 EKAB CSC1=NC2=C(CCC/C2=C\c2ccccc2)[C@@H](c2ccccc2)N1 6378741 UFYJQMFHAFEVJM-PHKMIBKXSA-N 346.499 5.572 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](Nc2cccc(F)c2)c2ccccc2)c1 6558024 ZMGJKHXJBNPZTF-OAQYLSRUSA-N 348.421 5.234 0 40 EKAB CSc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 6762943 UUIHXMMFRMWGNK-UHFFFAOYSA-N 343.835 5.574 0 40 EKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCCCCC3)c2c1 8471909 FDIGFTUYERIILV-UHFFFAOYSA-N 344.458 5.226 0 40 EKAB CCC(CC)C(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835615 LVQDZAKRVNULSR-LJQANCHMSA-N 340.492 5.213 0 40 EKAB CC(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757619 QYBJKMWGBSGREO-UHFFFAOYSA-N 345.471 5.588 0 40 EKAB Cc1cnccc1CN[C@@H]1[C@H]2CCCC[C@@H]2[C@H]1c1ccc(Cl)cc1 57774231 SOQVDBIFFLBOBP-UWHLTILDSA-N 340.898 5.105 0 40 EKAB CC(C)c1cccc(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)c1 72332231 WXULLXZWEQLVJE-CQSZACIVSA-N 342.483 5.487 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(C)c(C)c1 225709199 QUJREMUTKQPODS-SFHVURJKSA-N 326.509 5.358 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C 225735860 HJCAFEJNGLKLJH-OAQYLSRUSA-N 349.515 5.344 0 40 EKAB Cc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1Cl 225760591 VMRADZHGXVPQMB-SFHVURJKSA-N 346.927 5.641 0 40 EKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccccn23)cc1 201197 QPILWJOHUKOXBF-UHFFFAOYSA-N 338.414 5.535 0 40 EKAB aggregator COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 4002581 RKUCORTZMBHNKW-DTQAZKPQSA-N 340.426 5.264 0 40 EKAB Clc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 4206754 SKYDOBRKNVJEAO-ZHACJKMWSA-N 326.852 5.394 0 40 EKAB Cc1ccc(-c2cnc(NCc3c(Cl)cccc3Cl)n2C)cc1 4679291 JSCHLFAKFRUCMM-UHFFFAOYSA-N 346.261 5.314 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 6340789 YKLITCRCAFFBBO-MOPGFXCFSA-N 329.399 5.221 0 40 EKAB O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1Cl 6496527 IEGOGYGPXDBXDF-UHFFFAOYSA-N 349.817 5.098 0 40 EKAB C[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ccc(F)c(F)c1 12760578 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O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Cl)c1 1402597 ZTMZLTUZULSNNZ-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC(C)C 2767100 GOUMFDVCCZYOFY-UHFFFAOYSA-N 338.838 5.002 0 40 EKAB CN(C(=O)c1cc2ccccc2o1)C(c1ccccc1)c1ccccc1 3325395 ICSJXUQBNRBIOA-UHFFFAOYSA-N 341.410 5.294 0 40 EKAB CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(c1ccc(C)cc1)C2 5059311 WQOSKDXGMMHOKK-FRIKZZABSA-N 335.491 5.304 0 40 EKAB CCSc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 5241512 JGWUXNACTABSJJ-UHFFFAOYSA-N 346.502 5.236 0 40 EKAB CC(C)=C(OC(=O)c1ccccc1)[C@](C)(CC(C)(C)C)C(C)(C)C 5426813 RGXDFFXNMZTHNF-QFIPXVFZSA-N 330.512 6.626 0 40 EKAB O=C(O)c1cccc(-c2ccccc2)c1-c1nc2ccccc2s1 28627876 DAEBXAQKWUKQKB-UHFFFAOYSA-N 331.396 5.329 0 40 EKAB CCCC[C@@H](C/C=C\C=C\CCC[C@H](C)O)c1ccccc1C(=O)O 33955891 NYDNWAYCRJADHT-IKTWMJSDSA-N 344.495 5.712 0 40 EKAB Cc1ccccc1Nc1nc(-c2cccc(Br)c2)cs1 67321923 BSYPRAQMNUKHGJ-UHFFFAOYSA-N 345.265 5.625 0 40 EKAB C[C@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)Cc1cccc(F)c1 95962096 SWPFUBRNANOLKO-CFMSYZGJSA-N 331.239 5.142 0 40 EKAB CC(C)CCC[C@H](C)CO[PH](=O)OC[C@@H](C)CCCC(C)C 150385763 DCIMMEMPVRKHKG-ROUUACIJSA-N 334.481 6.334 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccccc1 222904093 QSGJIRRGJWAQLF-OXJNMPFZSA-N 339.479 5.019 0 40 EKAB CCCC[C@H](C(=O)OC)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223227214 SSDUNMVBIARJPP-SUMWQHHRSA-N 337.891 5.164 0 40 EKAB C1=CC[C@H](CN2CCC(c3ccc(Cc4ccccc4)cn3)CC2)CC1 2037629992 WJOOLJDXLPHWNO-NRFANRHFSA-N 346.518 5.208 0 40 EKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)c1 353501 YGRCAZWHIMKHBW-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Clc1ccccc1Cn1nc(-c2ccccc2)nc1-c1ccccc1 411608 BAVOCXKCRXGKIP-UHFFFAOYSA-N 345.833 5.314 0 40 EKAB CC(C)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 520886 SFLJUEZVAMUFHH-UHFFFAOYSA-N 341.414 5.608 0 40 EKAB Cc1ccc(C(C)C)c(OC(=O)Nc2ccc(Br)cc2)c1 1665939 WTDAIZHVKAFYEN-UHFFFAOYSA-N 348.240 5.492 0 40 EKAB Cc1ccc([C@H]2CC(c3cc(C)c(C)cc3C)=NN2c2ccccc2)o1 4153316 RICGOCAICZVYBC-JOCHJYFZSA-N 344.458 5.869 0 40 EKAB c1ccc(C(Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1 5400615 ASRQKXDMKRXHIQ-UHFFFAOYSA-N 347.487 5.372 0 40 EKAB Clc1nc2ccccc2cc1CSc1nc2ccccc2[nH]1 6651606 WMZUCDMTFNLDSL-UHFFFAOYSA-N 325.824 5.057 0 40 EKAB COc1c(Cl)cc(Cl)cc1CNC12CC3CC(CC(C3)C1)C2 8469560 XYTVALATUKSJGZ-UHFFFAOYSA-N 340.294 5.060 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708501 XAUIGYMQCHQIRW-INIZCTEOSA-N 333.431 5.117 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710720 HDZCGMPYKOMVRP-KRWDZBQOSA-N 325.452 5.052 0 40 EKAB CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccc(F)cc2)o1 17113720 VXQQQRMOEVDDEU-UHFFFAOYSA-N 335.382 5.002 0 40 EKAB CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(C)cc1 18192532 MQRXELUOVRFMLC-UHFFFAOYSA-N 342.489 5.385 0 40 EKAB Cc1ccccc1N(C(=O)c1ccoc1)c1nc2ccccc2s1 58368652 HVAJKKIICIXIGB-UHFFFAOYSA-N 334.400 5.176 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1 59351804 RDDPPIUVUSYFEW-OALUTQOASA-N 345.870 5.073 0 40 EKAB CCCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OC 106993501 TUUHEBJNJMZYQF-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB C[C@H]1CCC[C@@H](C)N1Cc1ccc2oc(-c3ccccc3F)nc2c1 216790531 SPPOFYSUIKUVCG-GASCZTMLSA-N 338.426 5.397 0 40 EKAB CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(C)c(C)c1 219394449 DJEOOOQXCQMSNF-OAQYLSRUSA-N 347.458 5.346 0 40 EKAB Cc1ccc(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 225110822 UQZCLYUFXBSTBI-UHFFFAOYSA-N 343.470 5.075 0 40 EKAB CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)cc1 225709905 QTWMGBXWOZXDFT-LJQANCHMSA-N 342.508 5.140 0 40 EKAB Fc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1Cl 225856597 RLOJIYFUFIUMRK-UHFFFAOYSA-N 348.874 5.235 0 40 EKAB O=C(Nc1cnccc1Oc1ccccc1)c1cc2cc(F)ccc2o1 605088876 BYUDMSZBUBOVOE-UHFFFAOYSA-N 348.333 5.012 0 40 EKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 41147 PCUFIFZUVNKUFF-UHFFFAOYSA-N 346.666 5.378 0 40 EKAB O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3)o2)nc2ccccc12 107569 ZWFCMIVHRKDFLX-UHFFFAOYSA-N 349.773 5.513 0 40 EKAB Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2C)c(C)c1 260383 ZEOWTLNUQYEIFE-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 581759 SJMZFNXUQGQQAI-UHFFFAOYSA-N 347.846 5.050 0 40 EKAB O=C1c2ccccc2CC[C@@H]1[C@H](Sc1ccccc1)c1ccco1 1448909 DNKBZUOPOLZAOQ-RXVVDRJESA-N 334.440 5.558 0 40 EKAB O=c1sc(Nc2ccc3ccccc3c2Cl)nc2ccccc12 1636050 YQSYLQBYSMAPKL-UHFFFAOYSA-N 338.819 5.207 0 40 EKAB Fc1cc(F)c(F)c(Oc2ccnc3cc(Cl)ccc23)c1F 3456009 VBZLWJDKKKHPJS-UHFFFAOYSA-N 327.664 5.237 0 40 EKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCCC2 5404902 QZTHWAFZXZHRTH-UHFFFAOYSA-N 341.454 5.085 0 40 EKAB Fc1ccc(NC(=S)SCc2ccc(Cl)c(Cl)c2)cc1 6512116 PORDMKUNOZYFEQ-UHFFFAOYSA-N 346.279 5.763 0 40 EKAB Cc1cc(C)cc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 7517994 BFIDBNVKOFJSTL-UHFFFAOYSA-N 346.499 5.379 0 40 EKAB Cc1ccc(NC(=O)c2ccccc2SCc2ccccc2)c(C)c1 7684773 BCCAJOWWYVLEKP-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CSc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 8049624 MBICBRNMFQOELJ-UHFFFAOYSA-N 349.455 5.163 0 40 EKAB CCCCCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 13068572 IJMBGZTYKZDLAB-UHFFFAOYSA-N 338.451 5.301 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)cc1 13931691 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Fc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)ccc1Cl 1504250459 ORNKUECYCBDTBQ-UHFFFAOYSA-N 326.623 5.568 0 40 EKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C)c(C)c1 80991 OZSXTVRIMWDFAN-UHFFFAOYSA-N 334.419 5.080 0 40 EKAB CC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 362205 OCDHXMZECVOCBI-CYBMUJFWSA-N 341.760 5.491 0 40 EKAB CCCCOc1ccccc1NC(=O)C1CCC(CCCC)CC1 4071276 AOQRABQOJSNHSK-UHFFFAOYSA-N 331.500 5.801 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 4545821 KJQNLWHTFDYVJB-RMKNXTFCSA-N 348.273 5.943 0 40 EKAB O=C(COc1cccc2ccccc12)Nc1c(Cl)cccc1Cl 4666493 IFFCQQCMZPWMQB-UHFFFAOYSA-N 346.213 5.164 0 40 EKAB Cc1ccc(-n2c(C)nnc2SCc2cccc3ccccc23)cc1 4835861 QYNJLRSBNKGPKE-UHFFFAOYSA-N 345.471 5.330 0 40 EKAB CC1CCN(Cn2c(-c3ccc(Cl)cc3)csc2=S)CC1 5524039 WTWXKUSTACOZDS-UHFFFAOYSA-N 338.929 5.289 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 5951236 HYNFIMOMEWYNPI-UHFFFAOYSA-N 325.452 5.515 0 40 EKAB CCCCOc1cccc(C(=O)Nc2ccccc2[C@@H](C)CC)c1 6264469 CDPBBRWHQUXUCU-INIZCTEOSA-N 325.452 5.631 0 40 EKAB Clc1nc2ccccc2cc1CSc1ncnc2ccccc12 6648198 QMVDXSYGIWOTDW-UHFFFAOYSA-N 337.835 5.124 0 40 EKAB Cc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 6814799 QRESFMGUBCKFGF-UHFFFAOYSA-N 326.248 5.033 0 40 EKAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl 8324621 KOUDSIBDKSIETG-UHFFFAOYSA-N 344.625 5.298 0 40 EKAB Cc1ccc(Sc2ncccc2C(=O)Oc2ccccc2)c(C)c1 13137309 BOIRGKKXMAIYBK-UHFFFAOYSA-N 335.428 5.069 0 40 EKAB C[C@@H]1CCCC[C@@H]1NC(=O)N1c2ccccc2Sc2ccccc21 13574641 GHHWPJMKJUWQOB-CABCVRRESA-N 338.476 5.578 0 40 EKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13993638 HUWRRFYPQAKYJL-KRWDZBQOSA-N 347.414 5.193 0 40 EKAB COc1ccc(NC(=O)C2C[C@@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)cc1 14920830 WCIHNRBFLFNLEP-ALOPSCKCSA-N 345.527 5.758 0 40 EKAB C[C@H](CNc1cccc(C(F)(F)F)c1)Oc1ccccc1Cl 19737619 QPJVSFMBXFLYGH-LLVKDONJSA-N 329.749 5.238 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)NCCSc1ccccc1 43313411 VPKMAYYTHMYSNV-UHFFFAOYSA-N 328.481 5.032 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 64982245 ZTDORIJSERTLCZ-AWEZNQCLSA-N 345.870 5.179 0 40 EKAB Fc1cc(F)c(-c2c(Cl)nc3ncccc3c2Cl)c(F)c1 72406721 ONAIIAOQSZMMFI-UHFFFAOYSA-N 329.108 5.021 0 40 EKAB Cc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 101214351 KEIWTLBGRWSELQ-IFMALSPDSA-N 339.442 5.491 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3Cl)o2)cc1C 107746402 LDKSDMLSAKQFTA-UHFFFAOYSA-N 325.795 5.469 0 40 EKAB c1ccc(N(c2ccccc2)c2ccc3c(c2)[nH]c2ccccc23)cc1 169013671 QXBOXQNGBNDQHA-UHFFFAOYSA-N 334.422 6.791 0 40 EKAB CCc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 222682599 GGODRYNNBQFGDN-UHFFFAOYSA-N 333.884 5.413 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1 222885702 BGJJBSYWIZXINH-NRFANRHFSA-N 339.479 5.388 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c3c(cccc13)CC2 224439361 BFXAFFCGVFSOQX-NRFANRHFSA-N 345.442 5.043 0 40 EKAB O=C(Nc1nc2ccccc2s1)c1ccccc1Oc1ccccc1 179078 KETJOZBSTVCWCC-UHFFFAOYSA-N 346.411 5.341 0 40 EKAB COc1ccc2ccccc2c1-c1c(OC)c(C=O)cc2ccccc12 384874 JGPWSJBTFFLYTC-UHFFFAOYSA-N 342.394 5.490 0 40 EKAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 483015 IFSOCOLKKXZMNU-UHFFFAOYSA-N 343.732 5.010 0 40 EKAB Cc1ccccc1N[C@@H](c1cccnc1)c1c(C)[nH]c2ccccc12 564577 GQYLQNCLARJUHT-QFIPXVFZSA-N 327.431 5.381 0 40 EKAB Cc1ccc2c(c1)Sc1c(ccc3ccccc13)N2CCCN(C)C 1608876 ZWVAIFKVPKWGLE-UHFFFAOYSA-N 348.515 5.703 0 40 EKAB Cc1cc(Cl)c(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1 1739889 LEVOFSKXPNGHNP-UHFFFAOYSA-N 349.044 5.861 0 40 EKAB c1ccc2[nH]c(CCCCCCCCCC[C@@H]3CCCO3)nc2c1 3901279 SHCPZIGLSYEHDU-GOSISDBHSA-N 328.500 5.795 0 40 EKAB Cc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cccc(C)n23)cc1 4735061 OYGPQBYGMZNDTM-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB c1ccc(-c2nc(NC3CCCC3)c3oc4ccccc4c3n2)cc1 5163174 KKFXPKTVFIUXTM-UHFFFAOYSA-N 329.403 5.398 0 40 EKAB Fc1ccccc1-c1ccc(CNC2C3CC4CC(C3)CC2C4)o1 7524288 MYTYFKJVXAPLTN-UHFFFAOYSA-N 325.427 5.000 0 40 EKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc3ccccc23)cc1 9064436 XBGZEYXZOFQXGT-KRWDZBQOSA-N 344.458 5.471 0 40 EKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccoc4)cc3)sc2c1 12980501 PEUXJFMLNUAFNV-UHFFFAOYSA-N 334.400 5.117 0 40 EKAB Cc1ccc(-c2nc(CSc3ccccc3Cl)cs2)cc1 13016416 VQFXQZPYUQEDBO-UHFFFAOYSA-N 331.893 6.064 0 40 EKAB Fc1cccc(F)c1NC(=S)Nc1ccc(Cl)c(Cl)c1 19075135 YFFFALGCXUZDCL-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB CC(C)N(C(=O)c1cccc(OCc2ccccc2Cl)c1)C(C)C 22258352 QJMHIRRPQFBLFF-UHFFFAOYSA-N 345.870 5.178 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(C)cc1 22527745 VXUPCRYDJGMQRK-DYESRHJHSA-N 347.458 5.183 0 40 EKAB Cc1cc(Nc2ccc(C)c(C)c2)n2nc(-c3ccccc3)c(C)c2n1 40216620 ODYIMUCETLFLKJ-UHFFFAOYSA-N 342.446 5.374 0 40 EKAB CN(c1ccccc1)c1ncccc1[C@H]1CCCN1Cc1ccccc1 72214248 OVMFKOFDIJBIFW-JOCHJYFZSA-N 343.474 5.187 0 40 EKAB c1csc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccsc4)=NN32)c1 72314737 WRYCJOOXAGIEIG-YJBOKZPZSA-N 338.457 5.052 0 40 EKAB C[C@H](C(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 95471003 ZRMSYBROIANQHG-VIFPVBQESA-N 328.626 5.389 0 40 EKAB O=C(Nc1c(F)cccc1Cl)c1ccc(-c2cccs2)cc1F 97373144 PHEGOXFDOKCNCV-UHFFFAOYSA-N 349.789 5.599 0 40 EKAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2C[C@]12CS2 118918421 NQUOVPHNWQLADQ-BKLFVHNASA-N 334.569 5.122 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)NCc2ccc3ccccc3c2)cc1 222775638 ZROXRHXVCMAYIA-UHFFFAOYSA-N 345.486 5.386 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2ccccc2Cl)C(C)C)c(C)c1 225763289 MVTRGMMUDIBQBW-SFHVURJKSA-N 346.927 5.641 0 40 EKAB Cc1ccc(C2(NC(=S)Nc3ccccc3Cl)CCCC2)cc1 225843973 LBKULAPGSDCKTC-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OC 409111288 CAVHWCNGJGUGEO-UHFFFAOYSA-N 349.430 5.498 0 40 EKAB Cc1cc(Br)cc(C)c1C(=O)C[C@@H](C)CC(C)(C)C 575362267 COPHLPVGOBTJEB-LLVKDONJSA-N 325.290 5.711 0 40 EKAB Fc1cccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1 348361 OHEJVZGORLMCTL-UHFFFAOYSA-N 341.389 5.693 0 40 EKAB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c2ccccc12 3307258 QXNSCYPROSDDGX-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB CCOc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 3420849 XLIFDRRVJMJXGM-UHFFFAOYSA-N 343.854 5.189 0 40 EKAB O=C(c1ccco1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 4373796 ZELKVBCDHILATF-POAQFYNOSA-N 343.854 5.035 0 40 EKAB CCc1cccc(C)c1NC(=O)COc1ccccc1-c1ccccc1 6231653 VTMIMIFOEXPCPA-UHFFFAOYSA-N 345.442 5.242 0 40 EKAB Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1-c1nccs1 7843296 QYCVQROMWTUSNV-UHFFFAOYSA-N 344.509 5.029 0 40 EKAB C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CS1 12661375 QOPVNDPJLOUFPN-SVMKMBGISA-N 346.580 5.432 0 40 EKAB biogenic CC[C@@H](C)c1ccccc1O[C@H](C)CNc1ccccc1OC(C)C 19737494 PDSBZNHGOYNLTC-QZTJIDSGSA-N 341.495 5.867 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 20452055 CIEPBAUREATPKN-GOSISDBHSA-N 329.443 5.461 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1c(C)cc(C)cc1C 22514587 BSYZUSIEGIAGHD-HXUWFJFHSA-N 347.458 5.561 0 40 EKAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 29098075 CLEDAOVTTDVBOT-HNNXBMFYSA-N 348.446 5.264 0 40 EKAB CC(C)(C)c1ncc(C(=O)Nc2ccccc2OC2CCCC2)s1 84325279 MZPYDFIGVCKYOC-UHFFFAOYSA-N 344.480 5.014 0 40 EKAB COc1ccc2c(C)cc(SCc3c(F)cccc3Cl)nc2c1 85565120 AWTFBDDGEQKJSM-UHFFFAOYSA-N 347.842 5.637 0 40 EKAB FC(F)(F)Sc1ccc(-c2ccc(Br)cc2)cc1 95740173 OADMBZRJKQSSDM-UHFFFAOYSA-N 333.172 5.728 0 40 EKAB CC(C)(C)Oc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1 95916110 QMDYFWMSVHWQSK-UHFFFAOYSA-N 330.427 5.762 0 40 EKAB CCSc1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225663684 DOKOODKENBQCAJ-UHFFFAOYSA-N 343.492 5.491 0 40 EKAB Nc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(Cl)c1 227157397 FCHZHHIPMLXJAW-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB Cc1ccc(C)c(NCc2ccccc2OCc2cccc(F)c2)c1 409118781 OEOJTNXJNVTCDK-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)c(C)c3)n2)cc1C 187092 ATWJGWADQOMRDI-UHFFFAOYSA-N 336.414 5.337 0 40 EKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2N2CCCC2)cc1 540163 JYBAAMRHYFMSQK-SDNWHVSQSA-N 334.463 5.062 0 40 EKAB CC(=O)c1c(Sc2ccc(Cl)cc2)nc2ccccc2c1C 1387842 FUAIVXDWDRVGIQ-UHFFFAOYSA-N 327.836 5.550 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1F 3203315 UNVJLLFLMIQOBN-UHFFFAOYSA-N 335.112 5.055 0 40 EKAB O=C(OCc1ccccc1)/C(=C/c1cccs1)c1cccs1 3322574 NTBCJARMBLXTSE-FOWTUZBSSA-N 326.442 5.094 0 40 EKAB C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cc1Cl 3431721 HQWDGDFQWJFKCZ-SECBINFHSA-N 340.275 5.035 0 40 EKAB Cc1cccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc23)c1 3902568 WCDPMTUIVBDPLQ-UHFFFAOYSA-N 346.817 6.051 0 40 EKAB CCCCOCN(C[C@H](CC)CCCC)C[C@H](CC)CCCC 4416562 RWDHUSBRENEAAI-NHCUHLMSSA-N 327.597 6.495 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccccc1 4903668 BJAWMDJEHIWIRF-DHIUTWEWSA-N 349.518 5.864 0 40 EKAB Cc1nc(Sc2ccc3ccccc3c2)c2oc3ccccc3c2n1 5180155 AXYVZUYPJWTVCR-UHFFFAOYSA-N 342.423 5.989 0 40 EKAB COc1cc(C(c2ccccc2)c2ccccc2)c2ccccc2c1O 5699410 PJMXSSUHANBOKS-UHFFFAOYSA-N 340.422 5.734 0 40 EKAB Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 6810561 SESCQEPRGXQLDE-UHFFFAOYSA-N 339.822 5.084 0 40 EKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 13710869 XTTYFJPCAIUHMJ-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1Cl 14022279 KMPIMYPLIFRFJK-INIZCTEOSA-N 338.234 5.098 0 40 EKAB Cc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2C)cc1 18192511 FSOKOBVGEIGLNH-UHFFFAOYSA-N 349.286 6.477 0 40 EKAB CN(Cc1ccc(F)cc1)Cc1csc(-c2ccccc2Cl)n1 32654955 HYABJEUJSHILHR-UHFFFAOYSA-N 346.858 5.235 0 40 EKAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1nc2ccccc2o1 32777567 HHWQSAHIMNZCGI-NSHDSACASA-N 335.234 5.328 0 40 EKAB COc1ccc(Br)cc1CNc1ccc(C)c(Cl)c1 36804470 WBUFOJCCFDXAPY-UHFFFAOYSA-N 340.648 5.032 0 40 EKAB O[C@H](c1ccc(Cl)cc1Cl)c1ccc2c3c(cccc13)CC2 226295625 NHKUIVSBVFIXPH-IBGZPJMESA-N 329.226 5.327 0 40 EKAB Cc1cccc2c1N(C(=O)C(C)C)C(C)(C)c1ssc(=S)c1-2 333585 MEJBSOTYDTUTAY-UHFFFAOYSA-N 349.546 5.752 0 40 EKAB CCOc1ccc(-c2nc(-c3ccc(C)cc3)cs2)cc1OC 3326875 BRWVGVKMAGSRMI-UHFFFAOYSA-N 325.433 5.193 0 40 EKAB Clc1cccc(CSc2nnc(-c3cccs3)n2C2CC2)c1 5357844 KOHBQBTXDFZREB-UHFFFAOYSA-N 347.896 5.287 0 40 EKAB Cc1c(Cl)cccc1NC(=S)N(Cc1ccccc1)C(C)C 6604363 KJUURKVAWXTRGA-UHFFFAOYSA-N 332.900 5.256 0 40 EKAB Cc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 7684513 LVRSFLCLESVXQJ-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB CCOc1cc(CN[C@H](C)CC)ccc1OCc1ccccc1Cl 8325987 BGEKYUNVVRDAMO-OAHLLOKOSA-N 347.886 5.206 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2ncccc12 12346731 QEXUGTZUYLCIIA-UHFFFAOYSA-N 332.190 5.186 0 40 EKAB On1c(-c2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 16491914 XZSZXQJNQLSJAM-UHFFFAOYSA-N 330.362 5.261 0 40 EKAB c1coc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)c1 19342325 HDCDQZCUGUXTPS-INIZCTEOSA-N 328.437 5.113 0 40 EKAB CCCCCCNc1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn12 21798930 KMQSXAYXHZBKJV-UHFFFAOYSA-N 340.446 5.144 0 40 EKAB CCc1ccc2oc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c2c1 28402921 WQZVUKZWZWDSGV-UHFFFAOYSA-N 347.336 5.575 0 40 EKAB O=C(CCC(=O)c1ccccc1)Oc1ccc2oc3ccccc3c2c1 32962640 HKELTOOAHFIRAM-UHFFFAOYSA-N 344.366 5.155 0 40 EKAB C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl 34910964 JSGCDAKRIPGQSF-GNTOHDJUSA-N 348.273 5.220 0 40 EKAB Clc1ccc2nc3c(c(-c4ccccc4)c2c1)-c1ccccc1C3 35655319 DBYUGKLYZNVOAG-UHFFFAOYSA-N 327.814 6.126 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(Cl)cc1 43281679 TYWXEPMYTZUGSB-UHFFFAOYSA-N 330.859 5.436 0 40 EKAB O=C(Nc1cccc(Cl)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344215 YJHGMJOOVKXBTQ-GJZGRUSLSA-N 340.637 5.389 0 40 EKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OC 106970844 JUDACGUDRAKREF-UHFFFAOYSA-N 340.250 5.321 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CCCCCCC2)c1 224388744 SMQXDXYHSMFRTF-QGZVFWFLSA-N 331.500 5.115 0 40 EKAB CCCCc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225128441 WEASABHPCUSLJQ-LJQANCHMSA-N 346.854 5.066 0 40 EKAB Cc1ccc(-c2nnc(SC(=O)c3cccc4ccccc34)o2)cc1 408599669 IZJUHMTWPPPMBD-UHFFFAOYSA-N 346.411 5.131 0 40 EKAB Cc1nc(-c2ccc(C(=O)Nc3c(C)cccc3Cl)cc2)cs1 408626171 ZWNKJIKTUZMFRC-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCC 409118704 PTZRAHDFSFCVFY-UHFFFAOYSA-N 333.859 5.366 0 40 EKAB O=C(Nc1cccc2ccccc12)c1ccc(Oc2ccccc2)cc1 364201 ZOVYLNDXMSMXGT-UHFFFAOYSA-N 339.394 5.884 0 40 EKAB Cc1cc(C)c(Oc2nc(-c3ccncc3)nc3ccccc23)c(C)c1 521221 JJRICRCIXAKKMG-UHFFFAOYSA-N 341.414 5.409 0 40 EKAB Clc1ccc(Cl)c(SCc2nnc(-c3ccccc3)o2)c1 2641307 YNTSFOZIQHTMJZ-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB Cc1cc(C)cc(Nc2ncc(F)c(Nc3cc(C)cc(C)c3)n2)c1 4117426 WTSHVQPYEGDQJG-UHFFFAOYSA-N 336.414 5.337 0 40 EKAB O[C@H]1C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C1 5046058 UCXPRAJDTFLIAK-QTJGBDASSA-N 326.439 5.402 0 40 EKAB Cc1ccccc1-c1nnc(S[C@@H](C)c2ccccc2Cl)o1 5435162 VBMKDVWEOGJBLN-LBPRGKRZSA-N 330.840 5.552 0 40 EKAB C1CSC(SCCCSC2SCCCS2)SC1 5437392 GWYZLBNTLUUFPQ-UHFFFAOYSA-N 344.683 5.150 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1C 7996011 CPGDUXKRJXRKMK-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(C(C)(C)C)cc1 8324620 JYJPNVXXJGXGMF-UHFFFAOYSA-N 331.843 5.289 0 40 EKAB Cc1ccc(C)c(NC(=O)CNc2ccccc2-c2ccccc2)c1 11618702 GBGBXBJCRLZFCF-UHFFFAOYSA-N 330.431 5.021 0 40 EKAB CCCCc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 13789499 RSKKFVURRVRIJF-UHFFFAOYSA-N 332.900 5.800 0 40 EKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21 15275864 ZICGITHVXPDMEN-FZKQIMNGSA-N 345.895 5.014 0 40 EKAB COc1ccc(Cl)cc1NC(=O)CCS[C@H](C)c1ccccc1 24761013 AOLRKTFPLVHOHV-CYBMUJFWSA-N 349.883 5.172 0 40 EKAB Cc1ccc2nc(-c3ccccc3O)c(Nc3cccc(Cl)c3)n2c1 35616141 UFNGPPQQEJSDMX-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 75285029 NSYWUODHCIBARY-RMKNXTFCSA-N 339.744 5.319 0 40 EKAB CC(C)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 225371029 MHBDERUKQSHFKL-UHFFFAOYSA-N 336.262 5.688 0 40 EKAB CCOc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 121028 CTXNAPYHKRVGCO-UHFFFAOYSA-N 338.403 5.282 0 40 EKAB COc1ccc(-c2ccc(-c3nnc(-c4ccccc4F)o3)cc2)cc1 420031 CMUFYLYJNISUPM-UHFFFAOYSA-N 346.361 5.218 0 40 EKAB Cc1ccc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 514597 JTZFTOJYLRGFEW-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB CC(C)(C)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 567769 QASULSILFGTNJL-UHFFFAOYSA-N 329.252 5.102 0 40 EKAB CC[C@@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)c1ccccc1 1469203 HAMIPPDCBFOBBY-UYAOXDASSA-N 339.504 5.311 0 40 EKAB C[C@H](CCOP(O)OCC[C@@H](C)CC(C)(C)C)CC(C)(C)C 1666657 MFIIGQHYZVHQND-HZPDHXFCSA-N 334.481 6.164 0 40 EKAB COC(=O)[C@@H]1C(=C(c2ccccc2)c2ccccc2)[C@H]1c1ccccc1 1707174 SBURSIJKQBMLEA-GGAORHGYSA-N 340.422 5.075 0 40 EKAB CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc(C)cc4)c3cc12 2112921 AXBWKLPRXFQSRY-UHFFFAOYSA-N 346.426 6.166 0 40 EKAB biogenic O=C(CCNc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 3155933 LMRCAQGKFDOAPJ-UHFFFAOYSA-N 328.626 5.332 0 40 EKAB CSc1cccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 3330951 OAVRHXGGYUMMKN-UHFFFAOYSA-N 347.654 5.016 0 40 EKAB C[C@H](CN(CCc1ccccc1)Cc1ccccc1)c1ccccc1 4695089 VSCYCHSMGVRSAR-OAQYLSRUSA-N 329.487 5.535 0 40 EKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(Cl)CC[C@]4(C)[C@H]3CC[C@]12C 4748312 FSOVIIOJSZNYCD-PXQJOHHUSA-N 348.914 5.614 0 40 EKAB Cc1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)no1 5315713 URUNKYFIRQDMAE-UHFFFAOYSA-N 348.427 5.597 0 40 EKAB O=C(Nc1cccc(F)c1)N1c2ccccc2Sc2ccccc21 6344992 JHWRQTYFFLXBAM-UHFFFAOYSA-N 336.391 5.661 0 40 EKAB CC[C@@H](C)NCc1ccccc1OCc1ccc(Cl)cc1Cl 8326041 CNHDWLXDMZUQLE-CYBMUJFWSA-N 338.278 5.461 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C)c1 8496326 SEACIQCFZAUARK-GOSISDBHSA-N 345.442 5.376 0 40 EKAB Cc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1Cl 9141216 OVKGBFADHKDBKM-UHFFFAOYSA-N 330.840 5.127 0 40 EKAB COc1cc(CNC2CCCCC2)ccc1OCc1cccc(C)c1 16349280 XJSAIYFXTVADQO-UHFFFAOYSA-N 339.479 5.005 0 40 EKAB CCCCOc1cccc(NC[C@H](C)Oc2ccc(CC)cc2)c1 19738351 NROLOBIWWGNQPC-KRWDZBQOSA-N 327.468 5.307 0 40 EKAB CCOc1cccc(NC[C@H](C)Oc2ccc(Cl)cc2Cl)c1 19738381 DVHBIVZMQPBTOA-LBPRGKRZSA-N 340.250 5.272 0 40 EKAB CCCCC(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C 21578609 HTSGTEUQDJSIOG-UHFFFAOYSA-N 336.435 5.549 0 40 EKAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3cccs3)co2)c(C)c1 29975214 MJWASLFFQVEDMY-GOSISDBHSA-N 338.476 5.357 0 40 EKAB Cc1cc(OC(=O)Nc2cc(F)c(F)cc2Cl)cc(C)c1Cl 30836500 RNAXCVYGELLHJA-UHFFFAOYSA-N 346.160 5.499 0 40 EKAB Cc1ccc(Oc2ccccc2NC(=O)/C=C/c2cccs2)cc1 32996168 PEMFMUNOBBUMDM-OUKQBFOZSA-N 335.428 5.501 0 40 EKAB COc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1Cl 89065171 KFBCHDMXNUBOOQ-UHFFFAOYSA-N 325.220 5.355 0 40 EKAB CN1/C(=C/C=C/C=C/C=C/c2ccccc2)C(C)(C)c2ccccc21 101037542 SBUXCRPLMVVLIX-MAZMYOQMSA-N 327.471 6.124 0 40 EKAB CCc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 408585602 GGUJQXYPNAVJDT-UHFFFAOYSA-N 331.415 5.080 0 40 EKAB CC[C@@H](C(=O)c1ccc(Br)c(Cl)c1)c1ccccc1 575362110 CTRMMHJQQBFKTE-CYBMUJFWSA-N 337.644 5.479 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 258331 KDIGVALBVAOZDH-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(C)cc1 340368 SALYKNZJMPNERR-UHFFFAOYSA-N 336.435 5.238 0 40 EKAB Clc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1 1786554 CBXALSNVJWVFMW-UHFFFAOYSA-N 345.833 5.562 0 40 EKAB Fc1cccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)c1 4321499 JJYWCZBOEDZFSM-NSFRLNINSA-N 342.417 5.847 0 40 EKAB Cc1ccc(NC(=O)c2ccc(OCCC(C)C)cc2)cc1Cl 6866284 KAHIYJZFRRXZSE-UHFFFAOYSA-N 331.843 5.326 0 40 EKAB Cc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 7670476 LLPWNCSXPHBIBR-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB CCc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 9141282 DHBDIVUQLNFTEF-UHFFFAOYSA-N 342.851 5.278 0 40 EKAB Cc1nc2ccccn2c1-c1nc(-c2ccc(Cl)s2)cs1 12658853 BVJBEKYULIFUBR-UHFFFAOYSA-N 331.853 5.148 0 40 EKAB CCOc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1 19738471 XTYCTEIVEITJND-UHFFFAOYSA-N 333.431 5.276 0 40 EKAB CCSc1ccccc1NC(=O)c1cc2ccccc2cc1OC 38753601 HBQJLDPWASLRTM-UHFFFAOYSA-N 337.444 5.213 0 40 EKAB c1ccc(CN2CCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 72214007 FWJYLTQBJPZGLH-OAQYLSRUSA-N 335.495 5.163 0 40 EKAB CC(C)COc1ccc(NC(=O)C2(C)CCCCC2)c2ccccc12 225945951 JVEJCXKNDCGFDT-UHFFFAOYSA-N 339.479 5.784 0 40 EKAB Clc1ccc(SCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 145424 QAFYIAMZMFFEAQ-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 568974 NCRKPDMZJKWEKR-INIZCTEOSA-N 339.479 5.515 0 40 EKAB Fc1ccc(N2Cc3ccccc3C2)cc1-c1nc2ccccc2o1 4049836 CDXYICHGGNHGHV-UHFFFAOYSA-N 330.362 5.154 0 40 EKAB c1cc(-c2ccc3ccccc3n2)cc(-c2ccc3ccccc3n2)c1 4049866 HZJTZSDOEHNNGP-UHFFFAOYSA-N 332.406 6.117 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)sc1Cl 4173483 LZTXXRDSWLOOGW-UHFFFAOYSA-N 341.046 5.614 0 40 EKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1cccc(Cl)c1 4678175 ZVLRLOTYDVPKLP-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB Cc1ccc(Nc2c(-c3cccc(Cl)c3)nc3cc(C)ccn23)cc1 4735110 ZQBCUPBKLCNPAA-UHFFFAOYSA-N 347.849 6.015 0 40 EKAB Cc1cccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 5034713 XGUMTLYZQVQOHU-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1nc(SCc2ccccc2Cl)c2oc3ccccc3c2n1 5277797 HHCLILIMTLIALZ-UHFFFAOYSA-N 340.835 5.630 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1c[nH]c2ccccc12 5299960 YQKUFOGQMUCEMR-UHFFFAOYSA-N 343.386 5.604 0 40 EKAB Cc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1C(F)(F)F 9364560 HZDWCQWHUIQEGB-LBPRGKRZSA-N 347.340 5.237 0 40 EKAB Cc1ccc(-c2ccsc2C(=O)Nc2ccc(F)cc2F)cc1 17338324 OQGMZSFLHAPHEL-UHFFFAOYSA-N 329.371 5.254 0 40 EKAB CCCCCNc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn12 40217033 NPFQLRAWBGXPMP-UHFFFAOYSA-N 342.874 5.269 0 40 EKAB Cc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(C)cc2)cc1 44085500 IMYSDNQVOVIIEO-UHFFFAOYSA-N 336.504 5.904 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(C)C)cc1 44844615 QFJZCGDEEPJOOG-QFIPXVFZSA-N 347.458 5.759 0 40 EKAB CC(C)c1cccc(NC(=S)Nc2cc(Cl)ccc2Cl)c1 71326244 FQDIHCCKIOAEEY-UHFFFAOYSA-N 339.291 5.926 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C=C/[C@H](O)C/C=C/CCC(=O)O 98044299 OZXAIGIRPOOJTI-ABCYKUCNSA-N 344.495 5.520 0 40 EKAB Cc1ccc(C)c([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 408995757 NEXVUNQFCKUPPX-PHKVSCMRSA-N 347.458 5.298 0 40 EKAB C/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2049238428 SKSOMRHTXHIGIB-YCOXLZFWSA-N 342.523 5.827 0 40 EKAB COc1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1 215372 UDINFPKKCQYLOU-UHFFFAOYSA-N 345.377 5.188 0 40 EKAB Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 322301 NYVNJMZVVTUUFQ-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Clc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1 544767 GOMKTHCSHKYYOR-UHFFFAOYSA-N 326.831 5.067 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3C)ccc21 2051792 DCRBXFFLHBYTAD-UHFFFAOYSA-N 328.415 5.375 0 40 EKAB CC(C)(C)c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 2337287 UGNQORQKKISPAA-UHFFFAOYSA-N 340.496 5.198 0 40 EKAB COc1ccc2c(Cc3ccccc3)c(-c3ccccc3)c(=O)oc2c1 2581711 SQOPTEYIGFLSJV-UHFFFAOYSA-N 342.394 5.059 0 40 EKAB biogenic CCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[nH]c2=S)cc1 3457133 PSXQHJKIKIDXLE-UHFFFAOYSA-N 330.840 5.254 0 40 EKAB O=C(c1ccc(-c2cccs2)s1)C12CC3CC(CC(C3)C1)C2 4785837 UZEWYQAYXAKKON-UHFFFAOYSA-N 328.502 5.876 0 40 EKAB CC1=CC[C@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1 4832271 WNJQFPUJKIPERU-UPSSIMKTSA-N 326.480 5.830 0 40 EKAB C=Cn1c(C(=O)C(F)(F)F)cc(CCCCC)c1-c1ccccc1 5419240 MTFYPBCOCBKZEF-UHFFFAOYSA-N 335.369 5.733 0 40 EKAB Cc1cc(Oc2ccc(Br)cc2)nc2c(C)cccc12 7002701 CJKLUTUIWJJTRZ-UHFFFAOYSA-N 328.209 5.406 0 40 EKAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(Cl)s3)cs2)cc1 7844309 HNOQOXVSBOWBJM-UHFFFAOYSA-N 348.880 5.015 0 40 EKAB Cc1ccc2[nH]c(SCCCCOc3ccc(Cl)cc3)nc2c1 13063407 JOARNLCRQNSXIX-UHFFFAOYSA-N 346.883 5.476 0 40 EKAB c1ccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 13739271 BCMFQYGLAOKHBK-UHFFFAOYSA-N 344.439 6.346 0 40 EKAB CCC(CC)C(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32623039 XTPZLGYDETUBEG-UHFFFAOYSA-N 349.434 5.087 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 44844712 CMXSFFCPDRDWIZ-RTWAWAEBSA-N 339.479 5.037 0 40 EKAB CCO[C@H](c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)c[nH]1 72414127 ORVOFCCFHPJZCS-QGZVFWFLSA-N 347.245 5.509 0 40 EKAB Cc1cc(Br)ccc1C(=O)c1cc(Cl)cc(Cl)c1 95916665 FWPVXTCBPCCELG-UHFFFAOYSA-N 344.035 5.295 0 40 EKAB CCc1cc2/c(=N/O)c(-c3cc4ccccc4o3)c(C)oc2cc1OC 100768886 ILZZJRRVENDLFB-DQRAZIAOSA-N 349.386 5.015 0 40 EKAB biogenic COc1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1 107041204 QOEHDYMKGWDRHR-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB O=C(CSCc1ccc(Cl)cc1F)Nc1cccc(Cl)c1 224425047 MQBRBNPMJASAMC-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225652599 FTKWADVFYGOPIR-OAQYLSRUSA-N 349.515 5.486 0 40 EKAB CC(C)c1ccc2oc(-c3ccc[n+](Cc4cccc(F)c4)c3)nc2c1 226308231 RULAMNATKITKEV-UHFFFAOYSA-N 347.413 5.093 0 40 EKAB FC(F)(F)Oc1ccc(-n2ccc(-c3ccccc3)nc2=S)cc1 152007 RXPBJTPZLRZMFE-UHFFFAOYSA-N 348.349 5.167 0 40 EKAB Clc1ccccc1Nc1nc(-c2ccncc2)nc2ccccc12 519874 QCZNLHAERJIZFX-UHFFFAOYSA-N 332.794 5.089 0 40 EKAB C[C@@H](NCCc1ccccc1)[C@H](C)C(c1ccccc1)c1ccccc1 1836508 VUZGHCOZWVELNI-LEWJYISDSA-N 343.514 5.675 0 40 EKAB CCCCCC1CCC(c2ccc(-c3noc(CC)n3)cc2)CC1 3204532 LMQKIJJMYOCGBR-UHFFFAOYSA-N 326.484 6.153 0 40 EKAB CC(C)[C@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccccc1 4994541 USTOLXCFVDJPMI-VXKWHMMOSA-N 335.491 5.474 0 40 EKAB Cc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C)c1 5034740 MVICTBNOVGTIEH-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB O=C(O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc2ccccc12 6538587 JCRASQJMMYWKLI-JXMROGBWSA-N 343.304 5.122 0 40 EKAB Cc1ccc(CNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 7539899 VFKPOPJYIOSJQH-UHFFFAOYSA-N 329.802 5.337 0 40 EKAB c1ccc(-c2nc(CSc3ncnc4ccccc34)cs2)cc1 7779499 YWFUOSUNLKQJOX-UHFFFAOYSA-N 335.457 5.046 0 40 EKAB Cc1ccc(O)c(-c2nc3ccccc3c(-c3ccccc3)c2C)c1 7847228 HLCDPOYSVCKPMN-UHFFFAOYSA-N 325.411 5.891 0 40 EKAB Cc1cccc(C)c1NC(=O)c1ccccc1OCc1ccccc1 8101873 XTQMOAGFGMMYRC-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)cc3C)ccc21 13915954 UWCULQRKODPMKI-UHFFFAOYSA-N 342.442 5.684 0 40 EKAB C[C@@H](NCc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 28427002 RIPNXCCADZAVGU-PGBRGIIUSA-N 337.429 5.400 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 30870668 XGHLODSJIXMGKI-QGZVFWFLSA-N 339.479 5.648 0 40 EKAB C(=C\c1ccc2ccc(/C=C\c3ccccc3)cc2c1)\c1ccccc1 72099248 BAXGJINOQBOMFG-XSYHWHKQSA-N 332.446 7.181 0 40 EKAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc2[nH]ccc2cc1C 97166048 KNJYSJIBADNVFL-UHFFFAOYSA-N 347.871 5.245 0 40 EKAB CC1CCN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 216841532 QLAOXEQHZAPAJB-UHFFFAOYSA-N 340.854 5.380 0 40 EKAB COc1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1C 223237504 XSLWXPFZFDSFPS-UHFFFAOYSA-N 345.442 5.242 0 40 EKAB COC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 226244491 JCDKCGHQSMINCP-HWKANZROSA-N 331.582 5.093 0 40 EKAB Cc1ccc(COc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 226295347 ZFMLMXBRAQTZHH-UHFFFAOYSA-N 349.817 6.036 0 40 EKAB c1ccc(/C(=C(\c2ccccc2)c2ccncc2)c2ccncc2)cc1 971583 AWPVIMOZZXQEJX-VHXPQNKSSA-N 334.422 5.484 0 40 EKAB CN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 3213338 FMRJJTZPTQDWTB-UHFFFAOYSA-N 344.439 5.240 0 40 EKAB C[C@H]1CCCC[C@@H]1NC(=O)c1sc2cc(Cl)ccc2c1Cl 3287304 XUJGIQQXIYOIOA-CABZTGNLSA-N 342.291 5.517 0 40 EKAB Cc1nc(Nc2cccc(Cl)c2F)c2c3c(sc2n1)CCC3 3418627 WCVZYSXEPBOHCI-UHFFFAOYSA-N 333.819 5.025 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1[C@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C 5528093 QKSODSWUZYYQJJ-GHUZFXNTSA-N 332.572 6.961 0 40 EKAB biogenic Cc1ccc(Cl)cc1NC(=O)c1sc(-c2ccccc2)nc1C 7996017 PQCBNFCOYPKCCU-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 8499783 ICAVDFBIONZSJG-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB O=C(Nc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1ccccc1Cl 9584590 PKJDIVZVNFPVOL-ZDUSSCGKSA-N 340.637 5.254 0 40 EKAB C[C@@H]1CCc2nc3sc4c(c3c(-c3cccs3)c2C1)CCCC4 12610104 SZNORLZIKIBFKM-GFCCVEGCSA-N 339.529 6.028 0 40 EKAB Cc1ccc(CO[C@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@H]23)c(C)c1 12954234 GOYSMGSBVGBIAH-KLIQENQMSA-N 334.912 5.391 0 40 EKAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccccc3C)ccc2c1 12981547 VIHQRFBAEAGQMF-DLBZAZTESA-N 347.458 5.138 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709229 QELPCXSZBJYKHP-MRXNPFEDSA-N 347.458 5.371 0 40 EKAB S=c1[nH]cc(-c2ccc(Cl)cc2)n1C12CC3CC(CC(C3)C1)C2 30952741 YYMDCPQUUWOXMW-UHFFFAOYSA-N 344.911 5.791 0 40 EKAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1cccc(Cl)c1 48290978 MQZZKIMAGJITCQ-HNNXBMFYSA-N 348.899 5.206 0 40 EKAB Fc1ccc(CSc2nc3ccccc3s2)c2ccccc12 59484682 DSHNBHJEZXPFHH-UHFFFAOYSA-N 325.433 5.881 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)c1cccnc1 68523848 QFUGQLJMLOXZPW-INIZCTEOSA-N 339.483 5.553 0 40 EKAB Cc1ccc(Cl)c2c1[C@H]1c3ccccc3[C@@H]2c2cccc(Cl)c21 71782773 OSXQVWISCSVXAF-UYAOXDASSA-N 337.249 6.289 0 40 EKAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 78458208 GZWGWINTGWKGQY-DLBZAZTESA-N 339.479 5.017 0 40 EKAB COc1cccc(NC(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)c1 84148742 RPJUIVGBEVYKBN-JXFKEZNVSA-N 338.451 5.009 0 40 EKAB CCN(C(=O)c1ccc2ccccc2n1)[C@H](C)c1cc2ccccc2o1 95369434 YEBANDPWXRFELM-OAHLLOKOSA-N 344.414 5.204 0 40 EKAB 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]3CC[C@]12C 118917641 LTDMCKMWCXEYTN-ZMIGPQKBSA-N 330.512 5.049 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222853744 LHMQOTJCAYKHAT-ZDUSSCGKSA-N 349.883 5.166 0 40 EKAB COc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)c1C 409118381 PQIVLMGCDDIBGR-UHFFFAOYSA-N 330.642 5.576 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 364970 AWOKVJPNMXOFPX-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1cc2n(n1)[C@@H](c1ccccc1C(F)(F)F)Nc1c(C)cccc1-2 382410 VLAGXGOAEXOSDU-SFHVURJKSA-N 343.352 5.158 0 40 EKAB C[C@@H](CC(C)(C)C)/C(=C/C[C@@H](C)CC(C)(C)C)C1SCCS1 1672775 ZGQRHXAWTWNZJQ-RMIRYMDZSA-N 342.658 7.254 0 40 EKAB CC[C@@]1(C)C[C@](CCN(Cc2ccccc2)C(C)=O)(C(C)C)CCO1 2109255 LVLYBTXEWVKWEA-FCHUYYIVSA-N 345.527 5.047 0 40 EKAB biogenic CC[C@H](C)c1ccc([C@@H](C)NC(=O)c2csc3ccccc23)cc1 2769906 HVNXVFUJXUBMNF-LSDHHAIUSA-N 337.488 5.906 0 40 EKAB CC(C)(C)c1ccc(OCCC(=O)OCc2ccc(Cl)cc2)cc1 3253748 LCTJMBVYDMZGCJ-UHFFFAOYSA-N 346.854 5.150 0 40 EKAB CC(C)OP(=O)(OC(C)C)C(=O)c1c(Cl)cccc1Cl 3847131 PJXCGVCCYILOJN-UHFFFAOYSA-N 339.155 5.177 0 40 EKAB biogenic CCCCCc1c(C)c2ccc(OCc3ccccc3)cc2oc1=O 4109580 MFTQCYWVIKGYGU-UHFFFAOYSA-N 336.431 5.413 0 40 EKAB CCCCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 4184219 HWRYFDZOZUKXBM-UHFFFAOYSA-N 342.826 5.667 0 40 EKAB Cc1ccc([C@@H]2C[C@@H]2c2n[nH]c(=S)n2-c2ccc(Cl)cc2)cc1 6533826 AINSTPYBZSXWHP-HOTGVXAUSA-N 341.867 5.163 0 40 EKAB O=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(Cl)cc1 8520455 XLHVEYRWANYDLL-UHFFFAOYSA-N 349.817 5.098 0 40 EKAB CCCOc1ccc(Cl)cc1CNc1ccc(F)c(Cl)c1 106976209 GEIIMMNWXTZWPU-UHFFFAOYSA-N 328.214 5.533 0 40 EKAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)cc1Cl 225475820 OXNZYJDTEHZBDA-CYBMUJFWSA-N 348.899 5.013 0 40 EKAB CCCCOc1c(C)cc(NC(=O)C2(OCC)CCCCC2)cc1C 225710280 UVBUPCKPSDRGLG-UHFFFAOYSA-N 347.499 5.160 0 40 EKAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225791822 CWQVPMKLYAUSEL-INIZCTEOSA-N 337.463 5.095 0 40 EKAB Cc1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)c(O)c1 509590 RUGQRMGCTQXIJH-UHFFFAOYSA-N 326.399 5.346 0 40 EKAB CCC(=O)c1cn(CCOc2cc(C)ccc2C(C)C)c2ccccc12 560740 RBDAEVYINMUUOY-UHFFFAOYSA-N 349.474 5.745 0 40 EKAB Clc1ccc(-c2cnc(Oc3ccc4ccccc4c3)nc2)cc1 1383863 JQBNWKBPKWNGPP-UHFFFAOYSA-N 332.790 5.743 0 40 EKAB C[C@H](CN1CCCCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698618 VMKUTHOGNDZCNC-UTKZUKDTSA-N 349.946 5.230 0 40 EKAB O=C1Nc2ccccc2S/C1=C\c1cccc(Oc2ccccc2)c1 2581782 VJAIGORKICOCIT-ZHZULCJRSA-N 345.423 5.564 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCCc2ccccc21 3237305 IYRWWJGXLOKBOE-UHFFFAOYSA-N 329.399 5.072 0 40 EKAB Cc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 5460562 JODARZCEMDAPQP-RBBKRZOGSA-N 339.442 5.491 0 40 EKAB CC(C)(C)c1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 6323491 KVWPHUOLMPHPFV-UHFFFAOYSA-N 344.454 5.931 0 40 EKAB CC(C)Cc1ccc([C@H](C)NC(=O)c2c(F)cccc2Cl)cc1 7735216 SXDUXPZTLBCALB-ZDUSSCGKSA-N 333.834 5.169 0 40 EKAB CC1(C)Cc2cc(CNc3ccc(Oc4ccccc4)cc3)ccc2O1 10299506 KUTLNRKIYVLLOC-UHFFFAOYSA-N 345.442 5.805 0 40 EKAB CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12657345 XTSCVFJBNHHMKD-HBKJVUDKSA-N 332.528 5.129 0 40 EKAB biogenic CC(=O)Nc1c(C)cc(C)c(-c2csc(-c3ccccc3)n2)c1C 12822456 BJLOOLMAUHJOLI-UHFFFAOYSA-N 336.460 5.361 0 40 EKAB CC(=O)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 14167629 MWNGLNXWUCLSGF-UHFFFAOYSA-N 328.824 5.089 0 40 EKAB Cc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1C 20362302 CDVZEKGQESHQBN-UHFFFAOYSA-N 329.193 5.043 0 40 EKAB Cc1ccc(-c2ccc(CCC(=O)Nc3cccc(F)c3)o2)cc1C 33027747 IVAKKYDRDLHFFC-UHFFFAOYSA-N 337.394 5.274 0 40 EKAB Cc1ccc(-c2nnc([C@@H](C)S[C@@H](C)c3cccs3)o2)cc1 95960586 LZQVIDMCUUCCJN-QWHCGFSZSA-N 330.478 5.662 0 40 EKAB Cc1c(C(=O)O)c2ccccc2n1Cc1c(Cl)cccc1Cl 216948376 ACROKNSVKNTHHC-UHFFFAOYSA-N 334.202 5.003 0 40 EKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(C)C 223017486 OXBJDFQJQROXPB-IBGZPJMESA-N 345.870 5.568 0 40 EKAB CCc1cc(Br)cc(CC)c1NC(=O)C1CCCCC1 226098264 KMOWVYZJRVRDRW-UHFFFAOYSA-N 338.289 5.093 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3ccccc3Br)nc2c1 228954078 OQOXHHNHWGFDDT-UHFFFAOYSA-N 344.252 5.479 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C)cc2Cl)c1 228956731 FOZGRDSBGOLEBQ-UHFFFAOYSA-N 332.831 5.425 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)C[C@@H](C)CC(C)(C)C)cc2)cc1 575359200 ZGGBVKUBWFMRBL-GOSISDBHSA-N 336.519 6.951 0 40 EKAB CC(C)CCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 533772 BVTWSGIYFBGSAN-UHFFFAOYSA-N 342.508 5.177 0 40 EKAB CCc1c(C)c2cc3c(-c4ccccc4)c(C)oc3c(C)c2oc1=O 2146418 VCQUACSKLUYXLE-UHFFFAOYSA-N 332.399 5.694 0 40 EKAB biogenic CC(C)CC[C@H](CCNCc1cccs1)c1ccc2c(c1)OCO2 2208391 IIJOWOYOXBSRCU-MRXNPFEDSA-N 345.508 5.177 0 40 EKAB CCCCNC(=O)[C@@H](CCCC)C(CCC)(CCC)CCCC 5554145 AMXFHTHLFMHPQX-LJQANCHMSA-N 325.581 6.486 0 40 EKAB FC(F)(F)c1cnc(SCc2nc3ccccc3o2)c(Cl)c1 6879293 BJGZXUDFZJTSHU-UHFFFAOYSA-N 344.745 5.187 0 40 EKAB c1ccc(COc2ccc(Oc3ncnc4ccsc34)cc2)cc1 8988136 ZUPKMJGSVVGBJR-UHFFFAOYSA-N 334.400 5.063 0 40 EKAB CCCCCCC1(/C=C\c2ccc(Cl)c(Cl)c2)OCCCO1 17108292 YEKUMNNIQAQQKA-LUAWRHEFSA-N 343.294 6.110 0 40 EKAB CCOCCOc1cccc(NCc2ccc(C(C)(C)C)cc2)c1 19738527 QWLBMXYEGKNINT-UHFFFAOYSA-N 327.468 5.012 0 40 EKAB O=C(O)C/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2o1 25126304 MVGUGHQXMIVDIC-XFFZJAGNSA-N 348.185 5.150 0 40 EKAB Cc1cc([C@H]2CCCCN2Cc2ccccc2)cnc1N1CCCCC1 72219187 OMXNWBBCIYZQFQ-JOCHJYFZSA-N 349.522 5.108 0 40 EKAB Cc1nc(-c2ccccc2NC(=O)Nc2cccc(C)c2C)cs1 206909312 FEYUOXLSXVBPSQ-UHFFFAOYSA-N 337.448 5.379 0 40 EKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(C)C 225759934 NYAVSJSHONZLIG-KRWDZBQOSA-N 332.900 5.332 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc(Br)cc3)n[nH]c21 387836 NRARIJLIMMHVAW-BXUZGUMPSA-N 333.273 5.476 0 40 EKAB S=c1nc(NCc2ccc(Cl)c(Cl)c2)c2ccccc2[nH]1 425008 CTNHDASETYQLMR-UHFFFAOYSA-N 336.247 5.211 0 40 EKAB Cc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)OC(C)C)c2c1 2079740 HKRCMCMUAQULLC-UHFFFAOYSA-N 337.394 5.223 0 40 EKAB Cc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 3187196 DLDZXJOMVLMCKS-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB O=C(Cc1cccc2ccccc12)n1c2ccccc2c2ccccc21 3214676 CHUSDSGSSPYJQM-UHFFFAOYSA-N 335.406 5.831 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)CSc1cccc(C(F)(F)F)c1 6588905 IAYOGCBSKIABKQ-UHFFFAOYSA-N 347.446 5.129 0 40 EKAB Clc1cccc(OCCCCN2CCCC[C@H]2c2cccnc2)c1 8741389 BXHIKLRXOQBEEH-FQEVSTJZSA-N 344.886 5.121 0 40 EKAB biogenic Cc1c(Cl)cccc1NC(=O)c1csc(-c2cccs2)n1 12944197 MBQRYNILIVCZMV-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)c1 13931233 KOIAMQJOQISCNS-AWEZNQCLSA-N 332.900 5.313 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 14022435 LMXFXPDGXFDKOK-INIZCTEOSA-N 338.234 5.098 0 40 EKAB FC(F)(F)c1ccc(NC(=S)Nc2ccccc2)c(Cl)c1 16490034 GMCUMBQRTBREEM-UHFFFAOYSA-N 330.762 5.168 0 40 EKAB O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)Cc1ccccc1-2 19075084 YXVJHGOWESOPDN-UHFFFAOYSA-N 334.806 5.555 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)cc1C 38771298 YJBBWJANPQKAJX-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB CC/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC 64220088 ZTNUBEFSFKRQJD-YSTUJMKBSA-N 334.544 6.919 0 40 EKAB CC[C@@H](c1ccc(F)cc1F)[S@@](=O)Cc1ccc(Cl)s1 95960691 NDIQWPADYUEXOI-RNODOKPDSA-N 334.840 5.080 0 40 EKAB Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(O)CCCC1=N2 102720383 WRNHOAZMAYRBIS-HNNXBMFYSA-N 349.217 5.504 0 40 EKAB Cc1ccc([C@@H](NC(=O)Cc2ccc(C)cc2C)c2ccccc2)cc1 224407799 VIKIXUAPGFNONF-DEOSSOPVSA-N 343.470 5.060 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)c2ccccc12 225818021 KTOGDZSXSUWKGE-OAQYLSRUSA-N 343.467 5.162 0 40 EKAB O=C(Nc1ccc2c(c1)CCC2)c1sc2ccccc2c1Cl 32674 UFECYYZBQCKPKR-UHFFFAOYSA-N 327.836 5.296 0 40 EKAB Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 42170 BHHJBNCDLSBSGZ-UHFFFAOYSA-N 336.243 5.769 0 40 EKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1Cl 60797 FMCBNIABGSHHSE-UHFFFAOYSA-N 335.834 5.501 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccco1 160481 HNNCIRYDHPLEAA-YZGWKJHDSA-N 339.479 5.383 0 40 EKAB Fc1cnc(Nc2ccccc2Cl)nc1Nc1ccccc1Cl 564555 KXCIDHRTBRMANB-UHFFFAOYSA-N 349.196 5.410 0 40 EKAB Cc1cccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)c1 1386023 GSCNHCHGCULTPV-UHFFFAOYSA-N 333.822 5.108 0 40 EKAB COc1ccc(Sc2cc(C(F)(F)F)c3cccc(C)c3n2)cc1 1389671 HAAOEIGNYAAYTP-UHFFFAOYSA-N 349.377 5.722 0 40 EKAB CCCCC[C@H](CN(C)C)[C@@H](O)CCc1ccc(Cl)c(Cl)c1 1731557 HEFONFMNWNTALQ-QAPCUYQASA-N 346.342 5.045 0 40 EKAB Clc1ccc(OCCCSc2nc3ccccc3s2)cc1 1926961 MVMBPINUWFMAOM-UHFFFAOYSA-N 335.881 5.511 0 40 EKAB O=C(C[C@@H](SCc1ccco1)c1ccc(O)cc1)c1cccs1 2608248 RBMBZAVPCMLROE-GOSISDBHSA-N 344.457 5.294 0 40 EKAB CCc1ccccc1NC(=O)COc1ccc(Nc2ccccc2)cc1 3359736 ITUURNOEUMUPLW-UHFFFAOYSA-N 346.430 5.010 0 40 EKAB C(=C/c1ccccc1)\CSc1ncnc2sc3c(c12)CCCC3 5100936 NDFQMJZIPHOHDP-RMKNXTFCSA-N 338.501 5.376 0 40 EKAB CCCCNC(=O)CCCCCCCCCCSCCCC 5298184 YRXIHHTUGQLLIY-UHFFFAOYSA-N 329.594 5.947 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C 5509696 BQIWDGSVLUONSV-ZDUSSCGKSA-N 337.419 5.516 0 40 EKAB CSc1ccc(CNCCC(c2ccccc2)c2ccccc2)cc1 6508864 SOCRDIJVUQGJSE-UHFFFAOYSA-N 347.527 5.720 0 40 EKAB C[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 7782816 PWARKAQCVRXLMN-STQMWFEESA-N 336.262 5.364 0 40 EKAB CSc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 8298541 PHGOSHMRMACGBT-QFYYESIMSA-N 344.505 5.024 0 40 EKAB CC(C)(C)c1ccc(CCC(=O)Nc2cccc3ccccc23)cc1 10433907 BLUHQBRQGZEQOU-UHFFFAOYSA-N 331.459 5.709 0 40 EKAB O=c1sc2c(s1)S[C@@H]1c3cccc4cccc(c34)[C@@H]1S2 16949820 BFVWEFRRTXRJEZ-TXEJJXNPSA-N 332.496 5.317 0 40 EKAB CC(C)COc1cccc(CNc2cccc(OCC(C)C)c2)c1 19738310 KFPNHCYFUJMCNW-UHFFFAOYSA-N 327.468 5.368 0 40 EKAB Cc1ccc(-c2csc(SCc3ccc(C(=O)O)o3)n2)c(C)c1 32611831 ZIZDESSVVITULK-UHFFFAOYSA-N 345.445 5.010 0 40 EKAB Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3Nc1ccccc1 43023750 IXYPWFUDXMSOQR-QGZVFWFLSA-N 341.252 5.420 0 40 EKAB FC(F)(F)Oc1cccc(NC(=S)Nc2ccccc2Cl)c1 43568641 YFNWIIYSFHCGPK-UHFFFAOYSA-N 346.761 5.048 0 40 EKAB Cc1nc(C(C)C)sc1[C@@H](C)NCc1coc(-c2ccccc2)n1 96478636 KWRLXGURLWCHQB-CYBMUJFWSA-N 341.480 5.081 0 40 EKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=CC[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100020372 XCJXQCUJXDUNDN-QLKUOXBQSA-N 338.876 5.024 0 40 EKAB Cc1ccc(C(=O)NCCSCc2cccc3ccccc23)c(C)c1 225058550 XQTYZPHFUHHPRD-UHFFFAOYSA-N 349.499 5.120 0 40 EKAB CCc1ccccc1NCc1cccc(OCc2ccc(F)cc2)c1 409112438 CTEMREYSHPQKLY-UHFFFAOYSA-N 335.422 5.579 0 40 EKAB Cc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12 47397 WPJHTVSOCQCNBC-UHFFFAOYSA-N 343.249 5.287 0 40 EKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(CC)cc1 144058 JZBGIRFJGOLWMX-UHFFFAOYSA-N 334.419 5.026 0 40 EKAB Oc1ccccc1-c1nc(Oc2ccccc2Cl)c2ccccc2n1 537467 GHVHYWSJPSQNLD-UHFFFAOYSA-N 348.789 5.448 0 40 EKAB Cc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(O)cc23)cc1C 1972044 TWZJNPNUJVALCQ-DARPEHSRSA-N 341.410 5.655 0 40 EKAB CCCCN(CCCC)c1nc(-c2cccnc2)nc2ccccc12 2251513 KHEPFDLGGPFMOV-UHFFFAOYSA-N 334.467 5.098 0 40 EKAB CCCCN(CCCC)C(=O)CC(c1ccccc1)c1ccccc1 2744523 UEWIFDJNPRWMRN-UHFFFAOYSA-N 337.507 5.637 0 40 EKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCc1ccccc1 2744763 YSRQMDRVWVTYPW-ZRDIBKRKSA-N 348.273 5.146 0 40 EKAB CCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1OCCC 3200568 OFOHCPIEKMDUCX-UHFFFAOYSA-N 338.403 5.038 0 40 EKAB S=C(NCc1ccc(Cl)cc1Cl)c1cccc2ccccc12 3338762 VANNLGUBOBFSEM-UHFFFAOYSA-N 346.282 5.612 0 40 EKAB Cc1ccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)n2C)cc1 4678589 KGFLHWLCNQYJDE-UHFFFAOYSA-N 346.261 5.314 0 40 EKAB CCC[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6288613 HJJLPYZFYZMLFH-CQSZACIVSA-N 347.911 5.551 0 40 EKAB CC/C=C\C/C=C/C/C=C\CCCCCCCCCCCC(=O)OC 35224421 RXNIYBHTXVTSAK-BKMIETEFSA-N 348.571 7.309 0 40 EKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C)ccc1C 222904978 HPJAEDOAWGYNDS-HXUWFJFHSA-N 339.479 5.397 0 40 EKAB Cc1ccc(C)c(NC(=S)NCCCc2cccc3ccccc23)c1 225808011 YYDNYZCPQHBZLM-UHFFFAOYSA-N 348.515 5.376 0 40 EKAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1C 98446 OFPIUBQWPDRNCD-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c(C)c1 557878 QYEWXAAKZBEWAX-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB C[C@@H](CCOP(O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C 1666658 MFIIGQHYZVHQND-HOTGVXAUSA-N 334.481 6.164 0 40 EKAB C[C@@](O)(c1ccc2ccccc2c1)[C@@H](c1ccccc1)c1ccccn1 1668780 VPKHAMVDQIMTFS-BJKOFHAPSA-N 339.438 5.274 0 40 EKAB Clc1cc(Cl)cc(-c2nc(-c3ccccc3)c3ccccn23)c1 3236208 ADYUVMVEMBLCFK-UHFFFAOYSA-N 339.225 5.975 0 40 EKAB CCOc1ccc(C(=O)Oc2cc(C)ccc2C(C)C)cc1OCC 3248043 WNDWUFUUKOFQNB-UHFFFAOYSA-N 342.435 5.135 0 40 EKAB CC(C)CCC[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 3452299 SMEJRBZMXGNBGU-HOTGVXAUSA-N 340.511 5.237 0 40 EKAB CCCCCCOc1ccc(OC(=O)c2ccccc2Cl)cc1 4078529 JTLDBEVBRFPGTC-UHFFFAOYSA-N 332.827 5.518 0 40 EKAB Cc1cccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1C 4455990 CCGMKERPSZKAGQ-UHFFFAOYSA-N 348.393 6.189 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl 5568901 NKRQMPUSMZFZIU-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 6232075 HBOOXMSGPZIEQR-SFHVURJKSA-N 345.895 5.016 0 40 EKAB CCc1ccccc1-n1c([C@@H]2C[C@H]2c2ccc(C)cc2)n[nH]c1=S 6871116 YYRNPNSRUBJHDG-DLBZAZTESA-N 335.476 5.072 0 40 EKAB C[C@H](NCc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 8534269 QNHAMJJIUXRENQ-KRWDZBQOSA-N 335.422 5.256 0 40 EKAB O=C(Cc1ccccc1F)Nc1ccccc1Sc1ccccc1 10373170 YQWNBBLOABFLPG-UHFFFAOYSA-N 337.419 5.158 0 40 EKAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1C(F)(F)F 15010951 AXYOITCXDSOHFQ-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Clc1ccc(COc2ccccc2CNCc2cccs2)cc1 16449785 AFZWGXHFMCHKTQ-UHFFFAOYSA-N 343.879 5.270 0 40 EKAB CCN(C(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1C 32753772 JTRIAVGNBXSVQG-UHFFFAOYSA-N 343.641 5.017 0 40 EKAB CCCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 33792618 YHOHXDGANHUBQZ-PVIWCNJMSA-N 328.496 5.083 0 40 EKAB C[C@@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1 35288754 YDKPHNVMKDQZSQ-QVKFZJNVSA-N 344.414 5.036 0 40 EKAB COc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 44900460 WHZCQMXCPCZRQI-CQSZACIVSA-N 345.398 5.086 0 40 EKAB O=C(Nc1cccc(-c2nccs2)c1)NC1(c2ccccc2)CCC1 58378118 LQZKLQAIRDFMSZ-UHFFFAOYSA-N 349.459 5.011 0 40 EKAB Clc1cc(CN2CCc3sccc3[C@@H]2c2cccs2)ccn1 58419397 DUKMTTNRNMBBAA-QGZVFWFLSA-N 346.908 5.006 0 40 EKAB c1ccc(CN2CCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 72217591 JPOOPJZQRJHWTM-NRFANRHFSA-N 346.499 5.570 0 40 EKAB O=C1Nc2cc(Cl)ccc2/C1=C\c1csc(-c2cccs2)n1 98009436 YMIXUYSIKHRCEU-KPKJPENVSA-N 344.848 5.018 0 40 EKAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101219521 AIJUCQNLSCBZSR-RBBKRZOGSA-N 339.442 5.491 0 40 EKAB COc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1 105651714 ZBRPBHBZVAHECR-UHFFFAOYSA-N 346.249 5.248 0 40 EKAB Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1C 223396418 VOEFMBMOJYCDAR-OJXHRBAXSA-N 327.855 5.156 0 40 EKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2F)cc1 224404773 GNWXCEDKSILNBC-SFHVURJKSA-N 349.833 5.005 0 40 EKAB CCCOc1c(C)cc(NC(=O)[C@@](C)(CCC)OCCC)cc1C 225740437 VMYZGGOVOKGMMF-HXUWFJFHSA-N 335.488 5.016 0 40 EKAB CC(C)Cc1nc(-c2ccc(Cl)cc2OC(C)C)ccc1C(=O)O 585265775 RHNHMTCZDGOPPV-UHFFFAOYSA-N 347.842 5.086 0 40 EKAB CCC[C@@H](Nc1cc(Cl)cc(Cl)c1)n1nnc2ccccc21 114606 VICQFCQZTYSEIL-INIZCTEOSA-N 335.238 5.149 0 40 EKAB CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccc(F)cc1 1392826 OKCALYJIAWRGLL-UHFFFAOYSA-N 341.407 5.010 0 40 EKAB C[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)C1 1884804 HLQGRKBGQQHILT-OAHLLOKOSA-N 343.430 5.279 0 40 EKAB CCC[C@H]1CCC[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1 2220058 OUDRMHUSSDYGOS-ZWKOTPCHSA-N 336.475 6.516 0 40 EKAB C[C@H]1C[C@H](C)CN(C(=O)c2cc3cc(Oc4ccccc4)ccc3[nH]2)C1 4696019 BCXONGYUOMIPLL-HOTGVXAUSA-N 348.446 5.078 0 40 EKAB CCc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 5254335 SVDDEWCKXPTEGK-UHFFFAOYSA-N 342.398 5.357 0 40 EKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc1 5687032 AVRNBZAXUXYAQX-UHFFFAOYSA-N 342.398 5.125 0 40 EKAB biogenic CC[C@H](C)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 6308247 DPTGRMLRMVGPLK-ZDUSSCGKSA-N 335.369 5.400 0 40 EKAB Cc1cccc(C)c1NC(=O)c1oc2ccccc2c1COC(C)C 8186612 MUQSCDMJUUBUOB-UHFFFAOYSA-N 337.419 5.227 0 40 EKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\C3CCCCC3)c2c1 12374215 HFBLZKBONVGEMB-FCDQGJHFSA-N 337.850 5.987 0 40 EKAB Cc1ccc(-c2nc3ccccc3c(=O)n2[C@@H]2CCCC[C@H]2C)cc1 20799281 IAOALHBKCGJCNF-OXQOHEQNSA-N 332.447 5.123 0 40 EKAB CC(C)c1cccc(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)c1 72332232 WXULLXZWEQLVJE-AWEZNQCLSA-N 342.483 5.487 0 40 EKAB O=C(CCc1cccc2ccccc12)Nc1cccc2ccccc12 222658193 NOSGRGOHNCKUAB-UHFFFAOYSA-N 325.411 5.564 0 40 EKAB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccccc2)cc1C(C)C 223264364 QOHXLWKUJLYLPW-FMQWLBJXSA-N 337.463 5.018 0 40 EKAB COc1cc(C)c(C(=O)Nc2ccccc2SC)cc1C(C)C 225660691 AXGJBBHHIIWWDQ-UHFFFAOYSA-N 329.465 5.101 0 40 EKAB CC[C@@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(C)c(C)c1 225709233 ZPAWDAUJWCSQSQ-GOSISDBHSA-N 326.509 5.358 0 40 EKAB CC(C)Oc1ccc(NC(=O)C2(C)CCCCC2)c2ccccc12 225945921 WUUAPGBVNBTRAH-UHFFFAOYSA-N 325.452 5.536 0 40 EKAB CCOc1ccc(CNc2ccccc2Cl)cc1Br 409182321 KKWRUHIGCVNGSE-UHFFFAOYSA-N 340.648 5.113 0 40 EKAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C[C@@H](C)CCC=C(C)C 1866193 MKQRUPCSMDQKBM-MGPUTAFESA-N 326.484 5.136 0 40 EKAB FC(F)(F)Oc1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1 2555981 JAVPIXBBOHUETK-UHFFFAOYSA-N 336.231 5.075 0 40 EKAB CCCOc1ccc2cc(Sc3cc(C)ccc3C)c(=O)oc2c1 3307645 KACSNYPBMGDCAT-UHFFFAOYSA-N 340.444 5.350 0 40 EKAB CCc1ccccc1Nc1nc(C)nc2sc3c(c12)CC[C@H](C)C3 3457026 DBFHYFROTJDLMK-LBPRGKRZSA-N 337.492 5.431 0 40 EKAB Cc1ccccc1[C@@H](OCCN(C(C)C)C(C)C)c1ccccc1 4655746 JPURAYRMIBQZRY-QFIPXVFZSA-N 325.496 5.220 0 40 EKAB C[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)C1 5253397 HLQGRKBGQQHILT-HNNXBMFYSA-N 343.430 5.279 0 40 EKAB Fc1ccccc1COc1ccccc1CNC1CCCCCCC1 7522997 DPZBAHLCCNYZNO-UHFFFAOYSA-N 341.470 5.607 0 40 EKAB C(=C/C1N(c2ccccc2)CCN1c1ccccc1)\c1ccccc1 13631820 ZSFOFPGZLPFPRL-WUKNDPDISA-N 326.443 5.053 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc(C(F)(F)F)c1 13790053 OOHVFETZULSKKO-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 20481497 YLFIXYKYTWSLNH-DNVCBOLYSA-N 345.870 5.011 0 40 EKAB Cc1cc(NC2CCCC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40217015 UFHDZZOFEZPRPC-UHFFFAOYSA-N 340.858 5.021 0 40 EKAB CC(=O)Nc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 67321816 DPGZUYDSHISXPX-UHFFFAOYSA-N 343.839 5.166 0 40 EKAB C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)O)c2C1 83332283 ATJAFMBXOWIHEQ-DSDLTIFZSA-N 329.399 5.056 0 40 EKAB Cc1ccc(Oc2cc(CNc3nc4ccccc4o3)ccn2)cc1C 84180763 KKXQAUCQAJLWNV-UHFFFAOYSA-N 345.402 5.244 0 40 EKAB CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)c1ccccc1 216230033 SUCXGVMCRQYLFD-NRFANRHFSA-N 347.458 5.122 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225700564 VQFPFFQDHKHZID-UZLBHIALSA-N 335.488 5.096 0 40 EKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225736470 RJZNUXWDGHGGOY-OAQYLSRUSA-N 349.515 5.261 0 40 EKAB FC(F)(F)c1ccc(OCOc2ccc(C(F)(F)F)cc2)cc1 2362803715 APJCACSYVUQHPC-UHFFFAOYSA-N 336.231 5.140 0 40 EKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccco1 33723 CZJGMXUGKIQDNL-QHCPKHFHSA-N 345.442 5.415 0 40 EKAB COc1ccc(-c2nc3ccccc3n2Cc2ccccc2C)cc1 104730 GURBVVGASQXMGK-UHFFFAOYSA-N 328.415 5.069 0 40 EKAB C[C@@H](CCN1CCN(CC[C@H](C)CC(C)(C)C)C1=O)CC(C)(C)C 1687242 ZGGKHVJOBDTDMN-ROUUACIJSA-N 338.580 5.649 0 40 EKAB C[C@@H]1C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)CC(C)(C)C1 2190163 YQRPRRZAKWEPHV-XLIONFOSSA-N 335.491 5.150 0 40 EKAB O=C(c1ccc(Cl)s1)c1sc(-c2ccccc2)nc1C1CC1 2631677 XPFWJYVPCHYJRH-UHFFFAOYSA-N 345.876 5.633 0 40 EKAB CCN(CC)c1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 2701523 LQEQIPVCMRVIQQ-UHFFFAOYSA-N 343.430 5.403 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1-c1ccccc1)c1ccccc1 3262767 XNCAAJKQWIFNGF-UHFFFAOYSA-N 341.332 5.625 0 40 EKAB C1=C(CCn2c(-c3ccccc3)cn3c4ccccc4nc23)CCCC1 6584360 LWCJZYAQJLMHLU-UHFFFAOYSA-N 341.458 5.847 0 40 EKAB CCOc1ccc(Cl)cc1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 8324595 FCOLWYNEUOYYPI-LFPRZYRFSA-N 347.930 5.433 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c(C)c1 9141331 SJNFRCUXWIFMLN-UHFFFAOYSA-N 348.427 5.425 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 10646762 FXTQDMVEGJHPQS-MRXNPFEDSA-N 333.456 5.473 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 14669516 SYQSGXFRYCGDLM-UHFFFAOYSA-N 343.732 5.108 0 40 EKAB CC[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(C)cc1 22528921 DKFOYLBZZWQFOL-HXUWFJFHSA-N 343.426 5.776 0 40 EKAB O=C(c1ccccc1)c1ccccc1-c1ccc(Cl)c(Cl)c1 26897505 GLUPJXIGONIMSD-UHFFFAOYSA-N 327.210 5.891 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1cccc(Cl)c1 32692499 YEBHGQMVIFNVLA-UHFFFAOYSA-N 327.836 5.224 0 40 EKAB C[C@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 57294279 UZUCCSMLMFNSDR-PNTFMKQHSA-N 339.482 6.134 0 40 EKAB OC1=Nc2ccsc2[C@H](c2ccc(Cl)cc2Cl)SC1 71283275 NCUANKUBWVGPPD-LBPRGKRZSA-N 330.261 5.479 0 40 EKAB Clc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccn1 89263526 XEOGMBYSUPTFIR-UHFFFAOYSA-N 341.650 5.832 0 40 EKAB C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102384647 WKCHJURXJMZKAJ-YYJDGNJWSA-N 341.445 5.469 0 40 EKAB Fc1ccc(NCc2ccccc2OCc2ccccc2F)cc1 106957643 VCERMSFFFPMQAL-UHFFFAOYSA-N 325.358 5.156 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2C)c1 199716077 PXSAJNHSDPINKJ-UHFFFAOYSA-N 332.831 5.425 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1C[C@@H]2CC[C@@]13CCC[C@@H]23 216058532 ULOOTODLOBJAKK-WZFLISSASA-N 340.250 5.511 0 40 EKAB CC[C@H](NC(=O)CCSCc1ccccc1)c1ccc(C)c(C)c1 218999617 GNWLSVXXSCHESC-FQEVSTJZSA-N 341.520 5.194 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219314324 CXIRPWGVQDSUQA-UXHICEINSA-N 339.479 5.037 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2c(F)cccc2F)C(C)C)c(C)c1 225765101 IPAFMBUHHQLCPW-QGZVFWFLSA-N 348.462 5.265 0 40 EKAB C[C@@H](C(=O)Nc1cccc(F)c1)c1ccc(-c2ccccc2)c(F)c1 385408 CKNVLHCMOQRGLQ-CQSZACIVSA-N 337.369 5.374 0 40 EKAB COc1ccc([C@H](Nc2ccccc2)Sc2ccc(C)cc2)cc1 1615902 GEIJCULFODZECO-OAQYLSRUSA-N 335.472 5.907 0 40 EKAB CCCCN(CCCC)[C@H](C)[C@H](O)c1ccc2c3c(cccc13)CC2 1683273 KXMDAFJWLTZHEE-HXOBKFHXSA-N 339.523 5.263 0 40 EKAB CCCOc1ccc(N[P@@](C)(=O)Oc2ccc(C(C)C)cc2)cc1 1862465 KBUNQWZFFKIQLT-DEOSSOPVSA-N 347.395 5.913 0 40 EKAB c1ccc(COc2ccc(Oc3ncnc4sccc34)cc2)cc1 3351710 QDGNSSNPKGKLDI-UHFFFAOYSA-N 334.400 5.063 0 40 EKAB Clc1ccc(Oc2nc3ccccc3nc2Cc2ccccc2)cc1 6240308 SLFYVLLZQBCCEZ-UHFFFAOYSA-N 346.817 5.666 0 40 EKAB CCOC(=O)c1cc2c(C)n(-c3ccccc3)c(C)c2ccc1=S 6242357 QVYDVUXWGKENIK-UHFFFAOYSA-N 337.444 5.154 0 40 EKAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(-c2ccccc2)cc1 6890293 CJUHPJFPJCFKDZ-UNOMPAQXSA-N 331.802 5.500 0 40 EKAB Clc1ccc2oc(-c3cccnc3NCc3ccccc3)nc2c1 20405241 SPSQGDIGJAIYSM-UHFFFAOYSA-N 335.794 5.155 0 40 EKAB Cc1ccc(NC(=S)Nc2cc(F)ccc2Cl)cc1Cl 71761800 UZRLVERMRCAROB-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CO[C@](C)(c1ccccc1Cl)c1ccccc1Br 96171602 JOUFYYHWYPWHOS-HNNXBMFYSA-N 325.633 5.012 0 40 EKAB C[C@@H]1[C@H]2C[C@H](c3ccc(OC(=O)Nc4ccccc4)cc3)[C@@H](C2)C1(C)C 101303606 COBDRXXOEJTYQG-ZHFAOOELSA-N 349.474 6.083 0 40 EKAB COc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1 107027039 YYYLKCSXNRCIBE-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 216344291 GJKJYIYQOINUFQ-UHFFFAOYSA-N 341.760 5.157 0 40 EKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224136116 FCJPBCNYOGFTPO-CYBMUJFWSA-N 349.361 5.131 0 40 EKAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCCC2)c1 225508871 DAAIWRAZZDPDNZ-UHFFFAOYSA-N 337.463 5.233 0 40 EKAB O=C(Nc1cccc2ccccc12)c1cc(-c2ccc(Cl)cc2)on1 225899478 WNOSQFNLDRRPAO-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB CCc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O 488438 XJXNPEHBDHSCHF-UHFFFAOYSA-N 336.362 5.525 0 40 EKAB biogenic COc1cccc(-c2coc3c(C)c4oc(=O)c(C)c(C)c4cc23)c1 488943 VQUDTBJMBICPQQ-UHFFFAOYSA-N 334.371 5.140 0 40 EKAB biogenic CSc1nc(Oc2cccc(C(F)(F)F)c2)c2ccccc2n1 1392709 IKSCEBKMOPIISW-UHFFFAOYSA-N 336.338 5.163 0 40 EKAB CC(=O)Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12 1669103 BKDWJPPCPHBKAW-UHFFFAOYSA-N 326.399 5.201 0 40 EKAB CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccccc1F 2290036 BGMPXWCPOWTODM-KRWDZBQOSA-N 337.331 5.203 0 40 EKAB FC(F)Sc1ccc(NC(=S)NC2CCCCCC2)cc1 3255443 FGIYCQNDYSNRDT-UHFFFAOYSA-N 330.469 5.011 0 40 EKAB C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)c1ccc(Cl)cc1 3448604 JCFQZEBELMBQDX-LBPRGKRZSA-N 345.225 5.797 0 40 EKAB CSc1ccccc1C(=O)Nc1nc2c(C)c(Cl)ccc2s1 4517451 LBXJMFLJLZQOHK-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 6272550 BPFPVNRTXGKODI-WUKNDPDISA-N 341.454 5.237 0 40 EKAB Cc1cccc(NC(=O)c2sc(-c3cccs3)nc2C)c1C 6788936 SDKUVCXVLZAXPA-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB CN(C(=O)Nc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 7984834 MISZJXSFSHPFKG-UHFFFAOYSA-N 334.394 5.079 0 40 EKAB C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 13632887 HFHJJAQGDZKCAV-KEQVLUGWSA-N 325.427 5.014 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709242 IHNDQSGGJCAJES-INIZCTEOSA-N 333.431 5.369 0 40 EKAB CSc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13717033 NPQLJKQARUZBGB-UHFFFAOYSA-N 347.483 5.569 0 40 EKAB O=C(CCCOc1ccccc1)Nc1ccccc1Oc1ccccc1 14397062 UPCMHFWQPCMBBV-UHFFFAOYSA-N 347.414 5.277 0 40 EKAB Cc1ccccc1CSCC(=O)N[C@@H](CC(C)C)c1ccccc1 44903287 VGQZEKFWJBKYRK-FQEVSTJZSA-N 341.520 5.132 0 40 EKAB Clc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c(Cl)c1 85345340 KXHQEKLQJXKEIS-UHFFFAOYSA-N 329.186 5.797 0 40 EKAB Nc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 178376417 YYDVNSHHWNXMNS-UHFFFAOYSA-N 337.231 5.043 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222693013 QYSHAXXAFPDTHK-OAHLLOKOSA-N 347.911 5.398 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222902888 YKJQDQZKUCBBOP-NRUITVPNSA-N 339.866 5.109 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C 223018553 KHVWYZRYUDKNCR-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@H](C)Cc1cccc2ccccc12 224941470 QQCKUFLDRSUOIS-MSOLQXFVSA-N 325.496 5.351 0 40 EKAB CC[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)cc1 225485318 JQRHSZMEBFNDLT-IBGZPJMESA-N 342.508 5.220 0 40 EKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(C)c(C)c3)cc2)c1 409176966 CPWIBYWJWPXJGF-UHFFFAOYSA-N 346.426 5.410 0 40 EKAB CCOc1ccc2cc(-c3ccc(Cl)cc3Cl)c(=O)oc2c1 57998 IITGXLSJWKPUNQ-UHFFFAOYSA-N 335.186 5.166 0 40 EKAB biogenic O=C1/C(=C\c2ccc(F)cc2)[C@@H](c2ccccc2)Oc2ccccc21 135129 SEILYCOKUFEFFX-PGPKDTDWSA-N 330.358 5.226 0 40 EKAB c1ccc(-c2cc3c(N4CCc5ccccc54)ncnc3s2)cc1 160541 DLZWLDHRXXQQAB-UHFFFAOYSA-N 329.428 5.053 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 282027 VLWMZLGXWXUUOP-VIFPVBQESA-N 344.625 5.053 0 40 EKAB c1coc(-c2nc(-c3ccco3)c(-c3ccco3)nc2-c2ccco2)c1 407393 SMCCOZVCDNTTQK-UHFFFAOYSA-N 344.326 5.517 0 40 EKAB aggregator O=C(CSCc1c(F)cccc1Cl)Nc1cccc(Cl)c1 582617 VVZQWKCBYUBPNM-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB CN1C(C)(C)CC(C(=O)c2ccccc2)(c2ccccc2)CC1(C)C 1585451 LVXNVZRUBGZRDQ-UHFFFAOYSA-N 335.491 5.090 0 40 EKAB S=C(Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 1621217 YXGYUUQULAOVTE-UHFFFAOYSA-N 328.440 5.802 0 40 EKAB c1ccc2[nH]c(CCCCCCCCc3nc4ccccc4[nH]3)nc2c1 1667467 IHORDQFAOPQUJD-UHFFFAOYSA-N 346.478 5.565 0 40 EKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1C(C)C 2743305 UYUJRYGHAZCZDA-CQSZACIVSA-N 331.843 5.178 0 40 EKAB CCc1cccc(CC)c1NC(=S)Nc1ccc([C@H](C)CC)cc1 3328840 PVKDMARHAOQDCG-OAHLLOKOSA-N 340.536 6.134 0 40 EKAB CSc1cc(-c2ccc(Cl)cc2)c(C(=O)N2CCCC2)s1 4050422 PXFHOLXIKQUISI-UHFFFAOYSA-N 337.897 5.026 0 40 EKAB C(=C\c1ccccc1)\CN(C/C=C\c1ccccc1)Cc1ccco1 4699253 QGCKBBKYPXZCEH-UOUVAZQYSA-N 329.443 5.508 0 40 EKAB CCSc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 5241507 KXJYMOHBRWYQKD-UHFFFAOYSA-N 340.473 5.174 0 40 EKAB CC(C)CC[C@H](CCNCc1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 5245463 GZOWTYROHMHWNF-UXHICEINSA-N 349.534 5.563 0 40 EKAB Cc1ccc(N[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 5701097 WFLWBVUODCEFJK-JOCHJYFZSA-N 344.458 5.404 0 40 EKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2c(C)c(C)cc(C)c2C)c1C 6787150 OQHNEHUKOIBXGL-UHFFFAOYSA-N 343.492 5.043 0 40 EKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccsc1)CC(O)=N2 9531484 UFRSEYBAJYCIRR-AWEZNQCLSA-N 343.839 5.019 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14665367 FRGJVMWLPJMMHT-CQSZACIVSA-N 345.870 5.352 0 40 EKAB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1Cl 16711399 IGRPBSWTYIWQBY-ZZEZOPTASA-N 344.867 5.131 0 40 EKAB CC[C@H](C)Oc1ccc(NC[C@H](CC)Oc2ccc(C)cc2)cc1 19737532 NRDIPSRMBKGZAY-HKUYNNGSSA-N 327.468 5.442 0 40 EKAB Cc1sc(Nc2ccc(N(C)C)cc2)nc1-c1ccc(Cl)cc1 67322039 BNLVNXVRJSPPSK-UHFFFAOYSA-N 343.883 5.582 0 40 EKAB c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3o2)cc1 68603133 DUIAEUYTZLRGGS-UHFFFAOYSA-N 337.382 5.348 0 40 EKAB CCCOc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C 95915472 AKMLMSIEMXSFSH-UHFFFAOYSA-N 327.306 5.833 0 40 EKAB Cc1cc(F)cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 96171159 FXKFQLPEOHMGIS-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB O=[S@@](Cc1ccc(-c2ccccc2)cc1)Cc1ccc(F)c(F)c1 97175268 XHFYCOTVFUKDSM-XMMPIXPASA-N 342.410 5.081 0 40 EKAB CCc1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2C)cc1 225714433 QPSPMTYGXZWYSM-LJQANCHMSA-N 326.509 5.304 0 40 EKAB C[C@H](c1ccccc1)n1c(COc2ccccc2)nc2ccccc21 104926 DZGZNQUGWDODBK-QGZVFWFLSA-N 328.415 5.225 0 40 EKAB Cc1ccccc1C(=O)Oc1ccc2c(Br)cccc2c1 383771 LGOBCRORBFBKBQ-UHFFFAOYSA-N 341.204 5.130 0 40 EKAB O=C(/C=C/c1cccc(Cl)c1)Nc1nc(-c2ccccc2)cs1 483488 SMLNHYPHKPGORW-MDZDMXLPSA-N 340.835 5.115 0 40 EKAB COc1ccc2c(C)c(-c3cc(=O)oc4c(C)cc(C)cc34)oc2c1 491373 ULCPLSZGTUKKJU-UHFFFAOYSA-N 334.371 5.140 0 40 EKAB biogenic Clc1sc2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl 2243745 ONNNMZUSSUCIFP-UHFFFAOYSA-N 340.873 6.822 0 40 EKAB CCCCCOc1ccc(C(=O)O[C@H]2C[C@@H]3[C@@H](C[C@@H]2C)C3(C)C)cc1 3192173 OHQAEYDVUFZFSY-OBZTUIKSSA-N 344.495 5.483 0 40 EKAB Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1C 4350456 UVHLUROIGMBEEY-HSZRJFAPSA-N 326.443 5.659 0 40 EKAB Cc1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 10370980 MTFMOYNDHNSPJX-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB CC(C)(C)c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 10542375 ZUWLGJIDXLGSFR-UHFFFAOYSA-N 329.871 5.000 0 40 EKAB O=C(c1cc2c(ccc3ccccc32)o1)N1CCCc2ccccc21 13672741 HULBDEWKQGLVHV-UHFFFAOYSA-N 327.383 5.179 0 40 EKAB CCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 14258374 XUKMLACHYCBMLY-UHFFFAOYSA-N 327.733 5.174 0 40 EKAB O=C(O)c1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 20242176 DSCWJMARLIPDJW-HYARGMPZSA-N 347.439 5.428 0 40 EKAB C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 20492943 VQAAIUALWBBPSQ-LULHVWEPSA-N 325.427 5.014 0 40 EKAB Clc1ccccc1NN(Cc1ccncc1)c1ccccc1Cl 37868680 OEWOKUHPJQNSCI-UHFFFAOYSA-N 344.245 5.422 0 40 EKAB in-vitro Cc1c(F)cccc1NC(=O)Nc1ccccc1C(=O)c1ccccc1 51354510 XYJACZPOUOLPQZ-UHFFFAOYSA-N 348.377 5.009 0 40 EKAB Cc1ccc(N(C(=O)c2ccco2)c2nc3ccccc3s2)c(C)c1 64341721 CNPLYPXZCDGTCW-UHFFFAOYSA-N 348.427 5.485 0 40 EKAB CC(C)[C@@H](C)N(C(=O)c1cc(-c2ccco2)nc2ccccc12)C1CC1 71804867 XGXAVDPPIICRAX-OAHLLOKOSA-N 348.446 5.144 0 40 EKAB CC(C)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409148513 ZOFVMDHOWCFAFZ-LDADJPATSA-N 343.492 5.427 0 40 EKAB Cc1ccccc1-n1c(C)c(C(=O)c2ccccc2)c2cc(O)ccc21 502083 QUOYKFPUEKNPJY-UHFFFAOYSA-N 341.410 5.184 0 40 EKAB CCCN(CCC)CC(C)(C)[C@H](O)c1ccc(OC)c2ccccc12 1628204 VSWNPKYWDNNAAH-OAQYLSRUSA-N 343.511 5.030 0 40 EKAB CN(C)c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 3898223 RLZQREWJMDDKOA-QHCPKHFHSA-N 341.458 5.108 0 40 EKAB COc1ccc([C@@H](OC(=O)Oc2ccccc2)c2ccccc2)cc1 5064197 NTEXCCSLDBCOFH-FQEVSTJZSA-N 334.371 5.000 0 40 EKAB Cc1cccc(OCCCC(=O)Nc2ccccc2-c2ccccc2)c1 5937633 APLKGNOAEJZXIG-UHFFFAOYSA-N 345.442 5.460 0 40 EKAB CCCC[C@@H](CC)CNC(=O)CC(c1ccccc1)c1ccccc1 6042899 PQSLHVWSXJXPRU-LJQANCHMSA-N 337.507 5.541 0 40 EKAB Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1Cl 6152762 VEDJXKLKNXLKHH-UHFFFAOYSA-N 335.834 5.497 0 40 EKAB Cc1ccc(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)cc1 8411618 IPUCXLBMGQDZTH-HXUWFJFHSA-N 335.497 6.414 0 40 EKAB COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OC(C)C 12813161 QDPRMYZZZJRJLZ-WEVVVXLNSA-N 343.810 5.447 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OCC 13507200 SNXPWYFWAZVIAU-WIEQBXDCSA-N 332.528 6.695 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(Cl)c1Cl 14013465 SYOHQOAMQWBWAO-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB C1=CC[C@@H](C2OC([C@@H]3CC=CCC3)OC([C@H]3CC=CCC3)O2)CC1 17747292 GDVLQRKRINDFTM-MYZNHPSISA-N 330.468 5.097 0 40 EKAB Clc1ccc(-c2csc(NCc3ccco3)n2)c(Cl)c1 22459743 DOJPTMOJDBPPNV-UHFFFAOYSA-N 325.220 5.322 0 40 EKAB Cc1cc(Cl)c(NC(=O)c2cc(Cl)ccc2F)c2cccnc12 32915707 DHWNZCSBYHIIJV-UHFFFAOYSA-N 349.192 5.241 0 40 EKAB COC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cc(Cl)ccc2n1 38486599 ABOPJCDNEGINET-UHFFFAOYSA-N 340.810 5.035 0 40 EKAB CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478251 GZMHSAWLSOKJNE-UHFFFAOYSA-N 339.826 5.106 0 40 EKAB CC(C)(c1ccccc1)c1ccc(OC[C@H]2CCCNC2)c(Cl)c1 42775465 KBEWJBYJCKZLAK-INIZCTEOSA-N 343.898 5.044 0 40 EKAB Clc1ccccc1[C@H]1CCCN1Cc1coc(-c2cccs2)n1 48262085 SOBDFAZIERZEKC-MRXNPFEDSA-N 344.867 5.394 0 40 EKAB CN(C(=O)c1ccc2ncccc2c1)C1CCC(c2ccccc2)CC1 72278399 HGKWUFCGOBIRQR-UHFFFAOYSA-N 344.458 5.033 0 40 EKAB Cc1ccc(-c2nnc([C@H](C)S[C@@H](C)c3cccs3)o2)cc1 95960587 LZQVIDMCUUCCJN-STQMWFEESA-N 330.478 5.662 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1C 225713581 MEMVCRKBOPGXEP-HXUWFJFHSA-N 340.536 5.865 0 40 EKAB Cc1cccc(NCc2ccc(-c3ccc(Br)cc3)o2)c1 226239967 ANLFGLZPFYDSJK-UHFFFAOYSA-N 342.236 5.630 0 40 EKAB COC(=O)c1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)[nH]n1 604941649 RTUYUFDMDGNVMM-UHFFFAOYSA-N 328.456 5.234 0 40 EKAB O=c1c(-c2ccccc2)coc2cc(OCc3ccccc3F)ccc12 148014 LEZBVNHPBPONGX-UHFFFAOYSA-N 346.357 5.178 0 40 EKAB biogenic Cc1cc(SCc2ccc(Cl)c(Cl)c2)nc2ccccc12 1895907 OVAQMWLQCPYJQJ-UHFFFAOYSA-N 334.271 6.142 0 40 EKAB CSc1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 2648552 QYUAQMKYPOOVBA-UHFFFAOYSA-N 349.883 5.168 0 40 EKAB Cc1ccc(Cl)c(NC(=O)c2cccc(C(F)(F)F)c2)c1Cl 6922737 WABQXJUIMBNVLK-UHFFFAOYSA-N 348.151 5.573 0 40 EKAB CN(C(=O)Nc1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 11009224 MSUKRDIEEVCLLE-FQEVSTJZSA-N 334.394 5.079 0 40 EKAB Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1F 11916761 OBCDPACMUXKZAW-UHFFFAOYSA-N 344.773 5.003 0 40 EKAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1 20457029 BZSQHMMNJIDTGB-QFBILLFUSA-N 327.493 5.052 0 40 EKAB CCSc1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1 31245831 QBHGXUWQRMIQIY-UHFFFAOYSA-N 341.476 5.372 0 40 EKAB C1=Cc2ccccc2/C1=C\c1ccc(/C=C2\C=Cc3ccccc32)cc1 38142986 WTNQAYAPMKTSFL-QFFDILLMSA-N 330.430 6.821 0 40 EKAB COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C 66354692 PNVZYJFBBFNRPK-UHFFFAOYSA-N 332.856 5.452 0 40 EKAB in-vitro CCCCCN(CCCCC)c1ccc(Br)c(F)c1 95915922 WIZOJJYWAFQJCX-UHFFFAOYSA-N 330.285 5.775 0 40 EKAB CC(C)C[C@@H](NC(=O)COc1cccc2ccccc12)c1ccccc1 216229989 SUCXGVMCRQYLFD-OAQYLSRUSA-N 347.458 5.122 0 40 EKAB Clc1ccc2oc(CCc3nc4cc(Cl)ccc4o3)nc2c1 216740545 HOYSVJZGSXZHGS-UHFFFAOYSA-N 333.174 5.061 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2c(C)cccc2C(C)C)cc1 222885255 OLQWLIBHDSTPCQ-HXUWFJFHSA-N 339.479 5.477 0 40 EKAB CCc1ccc(NC(=S)NCCCSc2ccc(C)cc2)cc1 225587109 AVUYZARWFCHPHT-UHFFFAOYSA-N 344.549 5.026 0 40 EKAB C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253498005 ZWJSLCYDYKYAGX-QQTLVKQWSA-N 346.599 6.444 0 40 EKAB CC(=O)Oc1cc2c(C(=O)c3ccccc3)c(C)oc2c2ccccc12 497743 CWGWQTCEEUJMAL-UHFFFAOYSA-N 344.366 5.051 0 40 EKAB CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 516665 NBLHVHWRVIIYCK-UHFFFAOYSA-N 338.234 5.134 0 40 EKAB Cc1cc(Cl)ccc1Oc1nc(-c2ccncc2)nc2ccccc12 521205 KCJKISFJWRJMST-UHFFFAOYSA-N 347.805 5.446 0 40 EKAB Cc1cc2sc(NC(=O)c3cccc(Cl)c3)nc2cc1Cl 569619 CRJVDPJBBSSIQI-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CCCCCCc1cc2cc(-c3csc(C)n3)c(=O)oc2cc1O 1817328 NGAFDYBHZBOLTR-UHFFFAOYSA-N 343.448 5.053 0 40 EKAB biogenic C/C=C/[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 4180776 SRJSURBETCWWPR-XFYNLNSKSA-N 327.427 5.323 0 40 EKAB CC[C@@H](C(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 6307751 BUMDCUQTACDMDV-QGZVFWFLSA-N 325.452 5.125 0 40 EKAB C=CCn1c(C)c(/C=C/C(=O)c2ccc(OC)cc2)c2ccccc21 7375599 PPOALOUEKCDIFW-BUHFOSPRSA-N 331.415 5.040 0 40 EKAB S=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 13786476 XOTLGFXALUYMMV-UHFFFAOYSA-N 331.655 5.456 0 40 EKAB CC(C)Cn1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1 16035484 AVQUXHNDPPQRNY-ZPHPHTNESA-N 348.924 5.820 0 40 EKAB C[C@H]1CC(C)(C)N(C(=O)Nc2cccc3ccccc23)c2ccccc21 16608516 MOQOAJKPSMAWNX-INIZCTEOSA-N 344.458 6.164 0 40 EKAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1c(F)cccc1Cl 27768854 XKFLRQQCRCMGQP-UHFFFAOYSA-N 337.781 5.303 0 40 EKAB Cc1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1C 43568727 RIUSKNCRBBHRJU-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB COc1ccc2nc(Nc3cc(Br)ccc3C)sc2c1 89065166 FYGCHSKLBBSQCD-UHFFFAOYSA-N 349.253 5.119 0 40 EKAB CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C)cc3)cc2)CC1 100003910 LPRUNJSIQXHMQG-KDURUIRLSA-N 336.475 6.288 0 40 EKAB CCc1ccc(CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224596395 RKGMXEKKNWTCRJ-UHFFFAOYSA-N 329.443 5.072 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2 226296850 HFWRDQSTZVADAO-UHFFFAOYSA-N 339.221 5.796 0 40 EKAB Cc1ccnc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 228948492 RQGSADJUYDPBKC-UHFFFAOYSA-N 334.263 5.040 0 40 EKAB Brc1ccc(N(c2ccccc2)c2ccccc2)s1 1857794831 WMKBEQSEMIJOCT-UHFFFAOYSA-N 330.250 5.980 0 40 EKAB O=C(Nc1cc2c(cc1Cl)-c1ccc(Cl)cc1C2)C(F)(F)F 1580946 KOHWPDUCZCPBLH-UHFFFAOYSA-N 346.135 5.065 0 40 EKAB ClC1=C(c2ccccc2)[C@@]2(CC2(Cl)Cl)C1(Cl)Cl 2257032 RMCYLLABFHUQLB-SNVBAGLBSA-N 328.453 5.388 0 40 EKAB C(=C/c1ccc(/C=C/c2ccccc2)c2ccccc12)\c1ccccc1 3167953 IVEWGZNZOMIJNF-YTEMWHBBSA-N 332.446 7.181 0 40 EKAB Cc1ccc(/C=C/[C@]23N=C(O)CCN2c2ccc(C)cc2C3(C)C)cc1 4000197 NTKPPAJORJYSNA-BWSGXRDBSA-N 346.474 5.171 0 40 EKAB biogenic Fc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 5460949 AOVXYPYMNUPSKJ-CTNGQTDRSA-N 343.405 5.322 0 40 EKAB COc1ccc(-c2ccnc(SCc3ccccc3Cl)n2)cc1 5917830 AUOBZSZBTKGAFE-UHFFFAOYSA-N 342.851 5.098 0 40 EKAB COc1ccc(C(C)=O)cc1COc1ccccc1-c1ccccc1 6128651 QPDAZXJPLSKMAV-UHFFFAOYSA-N 332.399 5.144 0 40 EKAB CCc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13774764 SHQHWMMNJLSMOS-HNNXBMFYSA-N 340.536 5.594 0 40 EKAB Fc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)c(Cl)c1 16221519 KMFLHEAWSJXQSW-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB COc1ccc(CNCc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 16346903 GDNKSOAQROOJFZ-UHFFFAOYSA-N 341.838 5.207 0 40 EKAB Cc1ccc(C(=O)c2cc3cc(Br)ccc3o2)c(C)c1 20362310 LCVHVTAFKALXIY-UHFFFAOYSA-N 329.193 5.043 0 40 EKAB Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2cc(C)sc2C)c(C)s1 31662776 WWHIJTPNMAJRHA-RYUDHWBXSA-N 336.526 5.165 0 40 EKAB O=C(c1cccc(Oc2ccccc2)c1)c1cnc2ccccc2c1 45028945 RPTOUYCHUZGVJX-UHFFFAOYSA-N 325.367 5.258 0 40 EKAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H]1c1ccccc1 84525494 UBAQXCZTTIMTFW-GOSISDBHSA-N 335.378 5.063 0 40 EKAB Cc1ccccc1/C=C/CN1CC[C@@](C)(c2cccc(O)c2)[C@H](C)C1 96125844 FJFLDQXXCJUUBR-AIUXHLRUSA-N 335.491 5.014 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 223213965 VSWSSVPVERSVNB-KRWDZBQOSA-N 339.479 5.648 0 40 EKAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 224574178 HFWGXOMZMCOXLI-CQSZACIVSA-N 347.911 5.013 0 40 EKAB CC[C@H](O)/C=C/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCC(=O)O 299888820 YUZXOJOCNGKDNI-UWIOHNEFSA-N 344.495 5.520 0 40 EKAB Cc1cccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)c1 409117408 LUEMLMCPXILMAY-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB FC(F)C(F)(F)C1=Nc2ccccc2N=C(c2cccs2)C1 60995 SMQJGEOOOMKPJL-UHFFFAOYSA-N 326.318 5.246 0 40 EKAB CCOC(=O)c1cnc2ccccc2c1Nc1cccc2ccccc12 98375 JEJYMZUJAWTGOV-UHFFFAOYSA-N 342.398 5.308 0 40 EKAB O=C(Cc1cccc2ccccc12)Nc1cccc(Cl)c1Cl 364231 CJSNJQLQBUTOCV-UHFFFAOYSA-N 330.214 5.328 0 40 EKAB Cc1ccccc1O[C@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C 365100 ILQTZWVRLIWGHC-QGZVFWFLSA-N 339.479 5.648 0 40 EKAB CCc1cccc(C)c1NC(=O)c1sc2cc(C)ccc2c1Cl 411411 QJEVPWXEHNFCRH-UHFFFAOYSA-N 343.879 5.986 0 40 EKAB CCc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 483946 DZFBKZMRAXBVJV-UHFFFAOYSA-N 340.810 5.118 0 40 EKAB O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1cccc2ccccc12 2060276 RZXSOUJFTIGLNL-UYRXBGFRSA-N 345.423 5.076 0 40 EKAB Cc1ccccc1Oc1nc(-c2ccc(Cl)cc2)nc2ccccc12 2266691 WIZKVKWFRUSHNR-UHFFFAOYSA-N 346.817 6.051 0 40 EKAB Cc1sc2ncnc(SCCCC(=O)c3ccccc3)c2c1C 3293890 GOVWCCJJPOHYTF-UHFFFAOYSA-N 342.489 5.063 0 40 EKAB Clc1ccc(Cl)c2sc(N3CCc4ccccc4C3)nc12 4137884 VKXHFZVVZGHKQL-UHFFFAOYSA-N 335.259 5.166 0 40 EKAB CCCC[C@@H](CC)COC(=O)/C=C/c1ccc(OCCC(C)C)cc1 4775053 IFOXCRJNHMWYCU-FIIODCPWSA-N 346.511 5.884 0 40 EKAB CCCCC[C@@H](CN(C)C)[C@H](O)/C=C/c1ccc(Cl)c(Cl)c1 5385190 WCYCZNSVADQWAW-QGLFLDNSSA-N 344.326 5.126 0 40 EKAB Cc1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1C 7610039 MYCGSWMDIIFPGN-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CSc1ccc2cc(CN3C[C@@H](C)C[C@H](C)C3)c(Cl)nc2c1 14077153 WCBDLDBOZOXBJW-STQMWFEESA-N 334.916 5.088 0 40 EKAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1cc2ccccc2o1 14094374 RNORYQVUKQAMJR-HNNXBMFYSA-N 329.399 5.006 0 40 EKAB CCc1cccc(C)c1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 15838569 PQKVPLMQQUCUEC-UHFFFAOYSA-N 339.822 5.139 0 40 EKAB COc1ccc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 23234145 ZJZZGOAVPOQCSM-UHFFFAOYSA-N 333.391 5.083 0 40 EKAB Cc1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1 30822828 MJATZAPDPJCMPD-UHFFFAOYSA-N 336.460 5.055 0 40 EKAB CN(Cc1cccc(Cl)c1)C(=O)c1sccc1-c1ccccc1 32967257 FHGZQLIPFUNARA-UHFFFAOYSA-N 341.863 5.341 0 40 EKAB CC[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 44904534 DBMLHEQDOGNZLK-LJQANCHMSA-N 329.399 5.467 0 40 EKAB Cc1cc(N)c2nc(Nc3nc4cc(C(C)C)ccc4o3)sc2c1 57352562 AQCIOVIYTWQRQA-UHFFFAOYSA-N 338.436 5.195 0 40 EKAB CSc1cccc(NC(=S)Nc2cc(Cl)ccc2F)c1 71761433 FFHWQRGGDXZMEO-UHFFFAOYSA-N 326.849 5.010 0 40 EKAB O=C(Nc1ccc(Cl)cc1F)N1CCC[C@@H]1/C=C/c1ccccc1 96003050 TZPXAEFRYWVYKL-XAVKZTDYSA-N 344.817 5.189 0 40 EKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2 223413421 FXPXMPKZPDYSKQ-OAHLLOKOSA-N 347.483 5.199 0 40 EKAB CCc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225255634 VHOGQXGZOWVVKI-UHFFFAOYSA-N 341.414 5.045 0 40 EKAB CCCOC1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCCC1 225655914 YERAAEGYZIDEKR-QGZVFWFLSA-N 347.499 5.159 0 40 EKAB COc1ccccc1-c1cccc2c1P(C(C)(C)C)[C@@H](C(C)C)O2 1772769005 AXYSTPMEONMQAD-QHELBMECSA-N 342.419 5.642 0 40 EKAB COc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 2146390 UGBYHTZMSDBSCE-UHFFFAOYSA-N 337.422 6.091 0 40 EKAB biogenic CCCCC[C@@H](C)CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 3199897 SKPZLLLQCPQIOT-WCRPCQDQSA-N 343.442 5.432 0 40 EKAB c1ccc(-c2nc(Oc3ccc4ccccc4c3)c3ccccc3n2)cc1 3220211 AEZQLXGUNQKXFB-UHFFFAOYSA-N 348.405 6.242 0 40 EKAB CCOc1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl 3472815 KMOFIPIIRZGUPI-UHFFFAOYSA-N 349.814 5.345 0 40 EKAB CCCCCCC1CCC(c2noc(-c3ccccc3Cl)n2)CC1 3584766 SWVDXPFYXFCJGI-UHFFFAOYSA-N 346.902 6.634 0 40 EKAB Clc1cccc(Oc2ncc(Cn3ccc4ccccc43)s2)c1 4049792 DMMSYEPKJOTZIU-UHFFFAOYSA-N 340.835 5.592 0 40 EKAB Cn1c(-c2ccccc2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc12 4678195 SCWRHRVUXWIKCF-UHFFFAOYSA-N 349.437 5.674 0 40 EKAB Cc1cccc(CSc2ncnc3scc(-c4ccccc4)c23)c1 5414173 NWKPWGJZFNCZMT-UHFFFAOYSA-N 348.496 5.959 0 40 EKAB FC(F)(F)c1cc(-c2cccs2)nc2sc3ccccc3c12 6588665 QAULQRIGINVOBY-UHFFFAOYSA-N 335.375 6.197 0 40 EKAB Cc1cc(C)c(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 7803533 XCAADRBCLYLCKN-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB COc1ccccc1Nc1nnc(S[C@H](C)c2ccccc2)s1 8089642 JKHFHAAUQCDSGV-GFCCVEGCSA-N 343.477 5.144 0 40 EKAB C[C@@]12CC3CC(NCc4ccc(Cl)cc4Cl)(C1)C[C@](C)(C3)C2 8534534 CMGBIGODXSPXDJ-DFDFAMMDSA-N 338.322 5.832 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(C1=NCCC1)c1ccccc1 10165995 XCPCJSZAHSLDRE-UHFFFAOYSA-N 348.233 5.224 0 40 EKAB Cc1cccc(CNC(=O)c2ccccc2SCc2ccccc2)c1 13672122 JVQYGBQZEMKBQT-UHFFFAOYSA-N 347.483 5.217 0 40 EKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 19931486 UWQPKCLPDCCZOC-QGZVFWFLSA-N 325.452 5.141 0 40 EKAB O=C(/C=C\c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 31723636 CXHYCBMCRQKTNA-SREVYHEPSA-N 326.610 5.299 0 40 EKAB Cc1ccc(C)c(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)c1 35681747 OIIFCTMNZVAABH-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB Cc1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)cc1 39907925 BAITZZATXQORHD-UHFFFAOYSA-N 342.442 5.481 0 40 EKAB CCN(C(=O)Nc1nc2ccccc2s1)[C@@H](C)c1ccc(F)cc1 40151569 ZHSIEUBQNHWUII-LBPRGKRZSA-N 343.427 5.050 0 40 EKAB Cc1cc(Br)c2oc(Cc3ccc(Cl)cc3)nc2c1 73638765 JAJZRNIHORZKNV-UHFFFAOYSA-N 336.616 5.143 0 40 EKAB C[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@H]1C[C@H]2CC[C@H]1C2 102230340 MBMPVAXSMWGZGN-YQFWSFKMSA-N 349.503 5.595 0 40 EKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1 225744156 QJFPKKBDUJXIRA-FQEVSTJZSA-N 335.488 5.035 0 40 EKAB S=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCCCC1 408577691 UJECIEOVYZOANL-UHFFFAOYSA-N 345.895 5.080 0 40 EKAB O=C(Cc1cccc2ccccc12)NCc1cc(-c2ccoc2)cs1 1889205976 ZLOMYNIWVSHVIJ-UHFFFAOYSA-N 347.439 5.020 0 40 EKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(Cl)cc(Cl)c1 77851 HHPABCWUTNJKNY-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1 510744 PLTTVSZBWRGNJS-UHFFFAOYSA-N 333.431 5.155 0 40 EKAB CCN(CC)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)c(C)c1 568423 ODYUNSQFOJMMAT-UHFFFAOYSA-N 330.859 5.055 0 40 EKAB Fc1ccc(Oc2nnc(Cc3ccccc3)c3ccccc23)cc1 1384846 LEEPPYSDALQDJH-UHFFFAOYSA-N 330.362 5.152 0 40 EKAB Cc1ccccc1C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 1791100 QOGJGJAGOYKKKR-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(-c2ccccc2)cc1 5604526 FKDRLLVCXHHUSG-UHFFFAOYSA-N 349.433 6.273 0 40 EKAB CCCc1ccc(-c2csc(NC(=O)c3cccc(C)c3)n2)cc1 6221602 DZWJDHAOIXELHW-UHFFFAOYSA-N 336.460 5.323 0 40 EKAB O[C@@H](CSCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 6588550 CEMVIKZHVXVIDW-IBGZPJMESA-N 332.896 5.186 0 40 EKAB Cc1nc(SCc2nc3ccccc3o2)c2c(C)c(C)sc2n1 8333486 QIIIUWAIDWNMCL-UHFFFAOYSA-N 341.461 5.050 0 40 EKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1[C@@H](C)CC 8723313 PTTYBDOCBZBONC-INIZCTEOSA-N 347.458 6.004 0 40 EKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccs1)CC(O)=N2 9530626 ZILSVZJXECUIGE-ZDUSSCGKSA-N 343.839 5.019 0 40 EKAB CC[C@H](c1ccco1)N(C(=O)/C=C/c1ccccc1)c1ccccc1 11915332 UNSOUZKTWXOXGJ-UHPIZROJSA-N 331.415 5.477 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(Cl)cc2F)cc1Cl 13792427 GOZHGBKPCLFOML-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Cc1nc2cc(NC(=O)c3cc(C(C)C)nc4ccccc34)ccc2o1 15537623 MGHACLUMCJAZCB-UHFFFAOYSA-N 345.402 5.060 0 40 EKAB O=C1CS[C@H](c2ccccc2)N1c1ccccc1Oc1ccccc1 17198313 PFOODJWSOZVSRV-OAQYLSRUSA-N 347.439 5.258 0 40 EKAB Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccccc3)c2)cc1 17309588 NZXNRICBXKRCAN-SFHVURJKSA-N 344.458 5.098 0 40 EKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 19931488 UWQPKCLPDCCZOC-KRWDZBQOSA-N 325.452 5.141 0 40 EKAB CC(=O)c1c(C)cc(C)c(CN[C@@H](c2ccc(F)cc2)C(C)C)c1C 27453047 ZNKQJWGTRKMOPH-JOCHJYFZSA-N 341.470 5.440 0 40 EKAB CN(Cc1ccsc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 40095101 IATYIWAZGHCFIN-UHFFFAOYSA-N 348.777 5.084 0 40 EKAB Clc1ccccc1COc1ccc(-c2nc3ccccc3[nH]2)cc1 41005025 OFTAOGNVGLMUHB-UHFFFAOYSA-N 334.806 5.462 0 40 EKAB CCCCc1ccc2nc(Nc3nc4ccccc4s3)sc2c1 57352458 QBUUYICVVPQZFJ-UHFFFAOYSA-N 339.489 5.992 0 40 EKAB c1ccc(CN2CCCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 72212166 SECVPPQOEMSNSL-QFIPXVFZSA-N 344.458 5.601 0 40 EKAB c1ccc(CN2CCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 72217650 YTEMAQOZGCPNFH-OAQYLSRUSA-N 346.499 5.570 0 40 EKAB Brc1cc2ccc3ccc4ccc5ccc1c1c5c4c3c21 135923451 JWHRWRUVFLKMPK-UHFFFAOYSA-N 329.196 6.529 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C 224473397 SFHJCJWODXRIGP-HNNXBMFYSA-N 341.948 5.542 0 40 EKAB Cc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1C 225491664 FHHKTEKOQXZKDT-LJQANCHMSA-N 326.509 5.377 0 40 EKAB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225665140 OKQJRBIUHSLRNV-IERDGZPVSA-N 347.499 5.096 0 40 EKAB Fc1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225855366 IFHMLKNXYNAKJN-UHFFFAOYSA-N 342.483 5.058 0 40 EKAB C[C@@H](CC(=O)c1ccc(Br)c(Cl)c1)CC(C)(C)C 575362196 MTPPANBPZFKWSN-JTQLQIEISA-N 331.681 5.748 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F 42537 GOJVDKSRZVFOIW-UHFFFAOYSA-N 349.139 5.656 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccccc3)ccc21 341659 NSNMIBDRRWNQJD-UHFFFAOYSA-N 342.442 5.386 0 40 EKAB Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl 2521630 GWOWBISZHLPYEK-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB COc1ccc(C)cc1Nc1nc(-c2c[nH]c3ccccc23)cs1 3327589 KOAQYVYUIIYVJK-UHFFFAOYSA-N 335.432 5.352 0 40 EKAB CCc1sc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1C 3415267 YVAVWCHXNGBOEF-UHFFFAOYSA-N 346.452 5.134 0 40 EKAB CC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccc(Cl)cc3)cs2)C1 4539240 HDIBTYJKXVJLOS-KXBFYZLASA-N 346.927 5.869 0 40 EKAB COc1ccc(OC)c(C[C@@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 5533890 YNTBOVIYSGWPEU-QMZRJTEUSA-N 342.523 6.045 0 40 EKAB C[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 6606763 ALIYUMAAKLRGEZ-GOSISDBHSA-N 329.443 5.410 0 40 EKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 8499927 UXPSDGWZPZSINR-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB C(=C\c1ncc(-c2ccccc2)cc1-c1ccccc1)\c1ccccc1 8652579 TZFVUFCCZYLKLS-MSUUIHNZSA-N 333.434 6.586 0 40 EKAB Cc1ccc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2n1 13282599 HIWPZKIFLXMSBR-UHFFFAOYSA-N 332.186 5.069 0 40 EKAB c1ccc(-c2nc(SC[C@@H]3CCCO3)oc2-c2ccccc2)cc1 16492182 YLVVDOZLECTXCK-KRWDZBQOSA-N 337.444 5.280 0 40 EKAB Cc1ccc(C)c(O[C@H](C)CNc2cccc(OCC(C)C)c2)c1 19738307 RBLIQAWYXKXIOK-GOSISDBHSA-N 327.468 5.218 0 40 EKAB C[C@@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)Cc1cccc(F)c1 95962095 SWPFUBRNANOLKO-WVDJIFEKSA-N 331.239 5.142 0 40 EKAB CC1(C)OC[C@]2(C[C@@]34CC[C@@H]5C(C)(C)CCC[C@@]5(C)[C@@H]3CC[C@@H]2C4)O1 96023683 KIJYVQFJGWLPQH-NXKRBXPFSA-N 346.555 5.941 0 40 EKAB biogenic CCc1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 113970750 FEYGTWWCEORQLD-SFHVURJKSA-N 331.843 5.007 0 40 EKAB CCCC[Sn](CCCC)(CCCC)C(C)(C)C 196498258 QAQLMRHTEJKONO-UHFFFAOYSA-N 347.175 6.636 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225700511 VQFPFFQDHKHZID-JXFKEZNVSA-N 335.488 5.096 0 40 EKAB Cc1ccc(NC(=O)CN(C2CCCCC2)C2CCCCC2)cc1C 408582156 MDKIJWHKMGCGKS-UHFFFAOYSA-N 342.527 5.209 0 40 EKAB Cc1ccc(COc2ccccc2/C=C2\C(=O)Nc3ccccc32)cc1 409115531 SASGEFQMZAQSBW-ZHZULCJRSA-N 341.410 5.067 0 40 EKAB Cc1ccccc1NCc1ccccc1OCc1ccc(Cl)cc1 409121408 ZOQILUVCVQXSBR-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB CC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(Cl)cc3)c12 1935847 FTJPXWXSMOFAIP-SNVBAGLBSA-N 348.880 5.081 0 40 EKAB CCCCN(CCCC)C[C@@H](O)c1cccc2cc(Cl)ccc12 1996182 IVEOCLBMEDSEPU-HXUWFJFHSA-N 333.903 5.429 0 40 EKAB COc1cc2c(cc1NC(=O)c1cccc(C)c1)oc1ccccc12 2651136 DMXLAXAKGCTAPN-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 2652548 ICUVXKGUFSBUEU-LBPRGKRZSA-N 337.341 5.351 0 40 EKAB COc1cc(/C=C/c2nc3ccccc3s2)cc(Cl)c1OC 5130140 KMHTZCOQSMRQGZ-BQYQJAHWSA-N 331.824 5.137 0 40 EKAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C 6852827 BPMTYMDKGXSGHY-ZDUSSCGKSA-N 336.262 5.030 0 40 EKAB Cc1oc(-c2ccccc2Cl)cc1C(=O)Nc1cccc(F)c1 7813374 YMPOAPKSWZDUBJ-UHFFFAOYSA-N 329.758 5.300 0 40 EKAB O=C(O)c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 11883977 LCMLLLKOESTOKZ-UHFFFAOYSA-N 347.197 5.424 0 40 EKAB Cc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)o1 12633060 WWDZDCHFCLQQJM-UHFFFAOYSA-N 337.781 6.263 0 40 EKAB CSc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 13006772 GHKVMXHSZATYGS-UHFFFAOYSA-N 349.455 5.240 0 40 EKAB Cc1ccccc1-c1ccnc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 14164030 QYFGIMZTXGWJHN-INIZCTEOSA-N 347.845 5.623 0 40 EKAB Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2Cl)cc1 14427161 NYEYPXWTAHQDFG-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl 14665145 VLUSSYXATPVJQJ-CYBMUJFWSA-N 331.843 5.044 0 40 EKAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@]12CS2 14904269 RAGKRCXTWZPJJM-RIWGUVNYSA-N 332.553 5.330 0 40 EKAB Cc1ccccc1[C@H](NC(=S)Nc1ccccc1)c1ccccc1 19932373 DFSHYCINQZXTRU-HXUWFJFHSA-N 332.472 5.071 0 40 EKAB Clc1ccc(-c2nc(CN3CCC[C@@H]3c3cccs3)co2)cc1 24992527 QUERNCXFWKBGRH-MRXNPFEDSA-N 344.867 5.394 0 40 EKAB O=C(c1ccc2ccccc2c1)N(Cc1cccc2[nH]ccc12)C1CC1 32094932 PTZXRXJCQRYGDZ-UHFFFAOYSA-N 340.426 5.126 0 40 EKAB Cn1c([C@@H](SCc2ccccc2)c2ccccc2)nc2ccccc21 35167694 AJUNEYXSZFEOFK-NRFANRHFSA-N 344.483 5.596 0 40 EKAB CCCC[C@H](CC)CNC(=O)c1cc(Br)ccc1Cl 70134274 ZZCZVZPPTXXQLC-NSHDSACASA-N 346.696 5.049 0 40 EKAB Clc1ccc(Cl)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12 73634627 DJVVBTXGIWPRIE-UHFFFAOYSA-N 339.225 6.204 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3Cl)o2)cc1 96306101 CGSZQEJDMQYGRV-UHFFFAOYSA-N 339.822 5.480 0 40 EKAB CCCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCCC)c(C)c1 225705025 ZTZIBTMOSAPNSV-NRFANRHFSA-N 349.515 5.406 0 40 EKAB CCCCN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 226250961 BEZWJOBMWFBAOK-UHFFFAOYSA-N 332.447 5.384 0 40 EKAB CCCC[C@H](C(=O)OC)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260622302 SSDUNMVBIARJPP-CXAGYDPISA-N 337.891 5.164 0 40 EKAB CCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)c2ccccc21 409129341 GIQWPJJKXMJXRO-GDNBJRDFSA-N 332.230 5.291 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 31497 MLADDSYTCKVRIR-CQSZACIVSA-N 347.911 5.725 0 40 EKAB Cc1ccc(CSc2nn3cc(-c4ccccc4)nc3s2)cc1 151666 AQXSWUPZKHVPKF-UHFFFAOYSA-N 337.473 5.059 0 40 EKAB Cc1c(Br)sc(-c2ccccc2)c1Br 480782 CHGLLFAFVXHTSP-UHFFFAOYSA-N 332.060 5.249 0 40 EKAB CCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2085809 OEJDQAFDQIMEIR-UHFFFAOYSA-N 332.447 5.212 0 40 EKAB CC1(C)COC(CCCCC(=O)c2cc(Cl)ccc2Cl)OC1 2518145 FRVDSDMYIZKZEW-UHFFFAOYSA-N 345.266 5.136 0 40 EKAB c1ccc(-c2ccc(-c3cc(-c4nnco4)c4ccccc4n3)cc2)cc1 3256430 LCNHZVBUTJMVFH-UHFFFAOYSA-N 349.393 5.619 0 40 EKAB CCCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 4104339 XPOZZKAUANHWSJ-UHFFFAOYSA-N 343.814 5.062 0 40 EKAB Oc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 7846851 CLKVNOULDJSDFA-UHFFFAOYSA-N 331.802 5.928 0 40 EKAB CC(C)(C)c1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1 16661319 NIHMPJAREIUKNW-UHFFFAOYSA-N 326.480 5.739 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1c(Cl)cccc1Cl 20050012 IBCPYJZIDUMFBD-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB C[C@H]1OC1(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 34071936 DOLHBKIUZSCJLD-SNVBAGLBSA-N 346.270 5.387 0 40 EKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC)c1ccc(C)cc1 44840328 AFAODPRJPJPLRX-ROUUACIJSA-N 345.870 5.073 0 40 EKAB Cc1cccc(CSc2nccn3nc(-c4cccs4)cc23)c1 45925285 UQCUUFVZXRYEJG-UHFFFAOYSA-N 337.473 5.059 0 40 EKAB O=C(c1cccn1-c1ccc2ccccc2c1)C(Cl)(Cl)Cl 96191842 SLNMNHWKGMCUFU-UHFFFAOYSA-N 338.621 5.183 0 40 EKAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223007768 ATOPUNJOUWQDAF-CYBMUJFWSA-N 344.911 5.266 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21 225331587 ATUWKCGURPPEJY-GOSISDBHSA-N 348.273 5.120 0 40 EKAB O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 226295540 NOPOYJVYAHARID-VWLOTQADSA-N 336.434 5.687 0 40 EKAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1cccc2ccccc12 675007672 GOZRYXUZIDZLTM-IBGZPJMESA-N 347.439 5.056 0 40 EKAB c1ccc(C(Sc2nnc(-c3ccco3)o2)c2ccccc2)cc1 63857 YSADDAWOYDOAKF-UHFFFAOYSA-N 334.400 5.211 0 40 EKAB Cc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3)sc2C)cc1 142766 STCDXGRILXLGOY-JLHYYAGUSA-N 334.444 5.079 0 40 EKAB Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)c1 557926 PIJRLWCAJONSIE-UHFFFAOYSA-N 328.626 5.516 0 40 EKAB CCCc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1 756791 MGTILUZTKNHEMK-UHFFFAOYSA-N 341.414 5.418 0 40 EKAB Cc1c(C(=O)c2ccc(Oc3ccccc3)cc2)cnc2ccccc12 1394711 KIZAMARUPLQZEI-UHFFFAOYSA-N 339.394 5.567 0 40 EKAB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3OCc3ccccc3)[C@@H]1[C@@H]2C 4184264 DUWXMXJIRAGQTJ-TWGPREPESA-N 348.486 5.801 0 40 EKAB CSc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 4544898 JPHJTNSNOIQSJO-SOFGYWHQSA-N 338.259 5.367 0 40 EKAB CC/C(=C\c1oc2cc3ccccc3cc2[n+]1CC)Nc1ccccc1 6077062 PXIJCSZNPGOKCC-UHFFFAOYSA-O 343.450 5.756 0 40 EKAB CCC(C)(C)C1CCC(NC2CCN(Cc3ccccc3)CC2)CC1 6787708 ZKHXBJQFOUUTCQ-UHFFFAOYSA-N 342.571 5.236 0 40 EKAB Cc1cccc(C(=N)c2ccccc2Cc2cccc3ccccc23)c1C 17379657 LMLIPXXEYRYLAF-UHFFFAOYSA-N 349.477 6.464 0 40 EKAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 20108375 DBPNSSLJBOJWHX-KBPBESRZSA-N 333.884 5.006 0 40 EKAB Cc1ccc(NC(=O)c2cccnc2Nc2c(C)cccc2C)cc1 22053864 OGTQAXULECBNRF-UHFFFAOYSA-N 331.419 5.003 0 40 EKAB CCc1ccc(C(=O)C[C@@H](Nc2ccccc2)c2ccccc2)cc1 32117618 YQPFGSRWUXJPKO-JOCHJYFZSA-N 329.443 5.675 0 40 EKAB CC(C)C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 32721488 ADNIMKFGHJWWOZ-INIZCTEOSA-N 336.262 5.511 0 40 EKAB Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl 44845185 OAUVXYGCJMDFLL-UHFFFAOYSA-N 328.721 5.311 0 40 EKAB Cc1c(F)cccc1NC(=S)Nc1ccc(Cl)cc1Cl 71326014 UHKOZOVSMFXVLI-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB Fc1cc(F)cc(NC(=S)Nc2cc(Cl)ccc2Cl)c1 71761042 AGRVINLAODKLPG-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB CCCC1CCC(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)CC1 72193663 IIWLTDSPUOYKLS-UHFFFAOYSA-N 346.490 5.361 0 40 EKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225518722 WVQLIYGNRVFSKP-UHFFFAOYSA-N 341.426 5.063 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225702220 NOGNIXVFIHCDFY-OXQOHEQNSA-N 335.488 5.178 0 40 EKAB CCOc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 118371 XTTVAQXBWSKAHV-UHFFFAOYSA-N 344.625 5.298 0 40 EKAB CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 412145 GHKTTZPXDPUUDY-UHFFFAOYSA-N 334.250 5.519 0 40 EKAB CCN(C(=O)c1ccccc1Cl)c1nc(-c2ccccc2)cs1 417767 PLLNRNFVPCVYQI-UHFFFAOYSA-N 342.851 5.130 0 40 EKAB CC1(C)C2=C[C@]3(C)N(CCN2c2ccccc21)c1ccccc1C3(C)C 2066652 KCBMVJWAMLGUDQ-DEOSSOPVSA-N 344.502 5.238 0 40 EKAB COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccccc1 4657453 RTVFVHVEEZOVQA-SFHVURJKSA-N 347.458 5.125 0 40 EKAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@]4(C)O)[C@@H]3CC[C@@H]2C[C@]12CS2 5530551 YQPXGHUOOLIGIF-GZJWPCPGSA-N 348.596 5.512 0 40 EKAB CCCCc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 6652888 NRXPBIVJSZBUTF-UHFFFAOYSA-N 347.911 5.804 0 40 EKAB C[C@@H]1CCCC[C@H]1NC(=O)N1c2ccccc2Sc2ccccc21 13574649 GHHWPJMKJUWQOB-HUUCEWRRSA-N 338.476 5.578 0 40 EKAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1C 14081759 CJDNHGZXVSKHPA-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C(F)(F)F)cc1 20107840 WKGBXHFPLBVEPN-UHFFFAOYSA-N 345.320 5.120 0 40 EKAB Cc1ccccc1[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 30862658 VHNVSCWAPVCFSG-FQEVSTJZSA-N 335.834 5.168 0 40 EKAB Cc1ccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)n[nH]3)n2)cc1 35504137 VZLFIKLUCXQVTC-UHFFFAOYSA-N 344.418 5.226 0 40 EKAB Cc1cc(NC(=S)Nc2ccc(C(F)(F)F)cc2)ccc1Cl 71761891 WDVDKMQMIQSRTF-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cnc2ccccc2c1 72219596 KQVGXGCJDWJTEZ-NRFANRHFSA-N 346.430 5.099 0 40 EKAB Clc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1 95616940 OVNPUJOZNPAVJQ-UHFFFAOYSA-N 343.817 5.526 0 40 EKAB Cn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(Cl)cc1 105828130 VDRLRYSOKHMVTL-KNTRCKAVSA-N 335.259 5.293 0 40 EKAB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H]1CCC(=O)O1 141350179 PCOBNCGOHMJRLU-XWFXSGQGSA-N 344.495 5.194 0 40 EKAB in-vitro Clc1ccc2nc(-c3cccs3)c(Nc3ccccc3)n2c1 427518 OJDLQHHQLZTBLR-UHFFFAOYSA-N 325.824 5.460 0 40 EKAB Cc1ccc2oc(-c3cc(=O)oc4cc5c(cc34)CCC5)c(C)c2c1 490358 BRIMKPLEAXISRI-UHFFFAOYSA-N 330.383 5.312 0 40 EKAB biogenic Clc1cccc(Cl)c1COc1ccc(Br)cc1 515203 NWZUZVQSTNYDIU-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)c1cnc(Cl)c(Cl)c1 2653084 LQPVTFYIQUCCHN-UHFFFAOYSA-N 343.213 5.308 0 40 EKAB c1ccc(CCNc2nc(-c3cccs3)nc3ccccc23)cc1 3453173 AWYSZBGOASRIKW-UHFFFAOYSA-N 331.444 5.013 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 6308244 DPTGRMLRMVGPLK-CYBMUJFWSA-N 335.369 5.400 0 40 EKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 8498659 LZBPYJWHRQUCDE-LJQANCHMSA-N 339.822 5.289 0 40 EKAB CC1=C(C)[C@H](N(c2ccccc2)c2ccccc2)N(CCC(C)C)C1=O 9554197 RGAUPLWPPBKUJX-QFIPXVFZSA-N 348.490 5.376 0 40 EKAB CC(C)c1ccc([C@H](C)NC(=S)Nc2cccc3ccccc23)cc1 13931887 JAGBNXHVOIWUMJ-INIZCTEOSA-N 348.515 6.011 0 40 EKAB Cc1nc2ccccc2nc1-c1nc(-c2ccc(Cl)cc2)cs1 16265623 VJZYTOOBLJXHAU-UHFFFAOYSA-N 337.835 5.382 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC1=CCCCC1 20037168 CHOYQBOSSYVQBD-OAQYLSRUSA-N 337.463 5.004 0 40 EKAB Cc1cc(C)c(NC(=O)N(C)Cc2c(F)cccc2Cl)c(C)c1 40095761 UEPKICSMGCQUFH-UHFFFAOYSA-N 334.822 5.068 0 40 EKAB C[C@@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1cccc2ccccc12 84656387 OYEOGVZNEWJTJB-XLIONFOSSA-N 344.458 5.100 0 40 EKAB CC(C)c1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 224004165 DFJJIUQUXMSTOV-UHFFFAOYSA-N 349.396 5.078 0 40 EKAB Cc1ccc(C)c(C(=O)NC[C@@H](C)Cc2cccc3ccccc23)c1 225053703 QLZYMFAYYBKYPH-KRWDZBQOSA-N 331.459 5.065 0 40 EKAB CCCO[C@](C)(C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1)C1CC1 225674352 VLUYGPSRFKMIKJ-IERDGZPVSA-N 347.499 5.015 0 40 EKAB COc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 3451317 ZPCVPLHCEFBYDB-MRXNPFEDSA-N 332.399 5.012 0 40 EKAB CCCC[C@H](CC)CNC(=O)C1c2ccccc2Oc2ccccc21 4264991 QUBKAJJYTAKIEJ-INIZCTEOSA-N 337.463 5.257 0 40 EKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccccc1Cl 4678407 JASSSVCVOFGSGA-UHFFFAOYSA-N 332.234 5.006 0 40 EKAB Fc1ccc(/C=C/c2nc3ccccc3n2CCc2ccccc2)cc1 5235204 WIJSPLPXLMBWKD-NTCAYCPXSA-N 342.417 5.589 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 5863623 GDTKXCJWOIWIBS-CQSZACIVSA-N 347.911 5.891 0 40 EKAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccccc2Cl)cc1 6276764 RYMHAOSQRSIQGE-UHFFFAOYSA-N 346.761 5.048 0 40 EKAB Cc1ccc(-c2csc(/C=C/c3cccc(Cl)c3Cl)n2)cc1 6566080 XIWAFYFMUAKDIB-MDZDMXLPSA-N 346.282 6.596 0 40 EKAB C[C@@H](NCc1cccc(OCc2ccccc2F)c1)c1ccccc1 8535343 GJNPHBCKDQEVMI-QGZVFWFLSA-N 335.422 5.256 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCCSc2ccccc21 24968758 BGWOYHOOPJPVSP-UHFFFAOYSA-N 338.259 5.136 0 40 EKAB O=C(Nc1nc(C2CC2)cs1)c1ccccc1Oc1ccccc1 25560406 ILZMYDJSKPBIRL-UHFFFAOYSA-N 336.416 5.065 0 40 EKAB CCCCc1ccc(C(=O)c2ccc(Br)cc2C)cc1 36829424 YJYIHCFBLMCBRQ-UHFFFAOYSA-N 331.253 5.331 0 40 EKAB CC(=O)OC/C=C(C)\C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C 40454328 QGNJRVVDBSJHIZ-SNMBCVONSA-N 328.496 6.081 0 40 EKAB in-vitro Cc1ccc(Cc2cc3cc(Br)ccc3nc2Cl)cc1 96675827 YMVUAKNCYBRKFW-UHFFFAOYSA-N 346.655 5.550 0 40 EKAB c1ccc2c(c1)C[C@H]1C[C@]34CSC[C@@]3(Cc3ccccc3C4)C[C@H]1C2 104188404 MADDTDRCORVCCR-UEQSERJNSA-N 346.539 5.330 0 40 EKAB Nc1cccc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 226359140 GZVFMSXHELOPER-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB Fc1ccc(CNc2ccc(SC(F)(F)F)cc2)c(Cl)c1 236228489 IIWQGYXVGQVBGU-UHFFFAOYSA-N 335.753 5.703 0 40 EKAB O=C(C[C@@H](C(=O)c1cccs1)c1ccsc1)c1cccs1 109468 GWMWXYPTUCHUAT-GFCCVEGCSA-N 332.471 5.111 0 40 EKAB CCOc1ccc(Nc2nc(-c3ccc(OC)c(F)c3)cs2)cc1 208207 AQZNZRUUNPQKDC-UHFFFAOYSA-N 344.411 5.100 0 40 EKAB C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 994735 HMGXPQXMLSOTJS-SFHVURJKSA-N 329.443 5.086 0 40 EKAB Cc1ccc(F)cc1Nc1ncnc2sc3c(c12)CC[C@H](C)C3 3304465 BEUXBQBHFPHPRK-JTQLQIEISA-N 327.428 5.007 0 40 EKAB CCc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1 3318368 ISGLCKIOWWDFAD-UHFFFAOYSA-N 331.444 5.664 0 40 EKAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc2ccccc12 3418139 IVYZGYLYPYMARH-GFCCVEGCSA-N 343.785 5.038 0 40 EKAB c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)c1 4164967 AAZMLKGEERBKRT-YJBOKZPZSA-N 338.457 5.052 0 40 EKAB Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 6216182 QRBYWAIQSXZEPF-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 6906087 XFXMCGWHTCJDHC-UHFFFAOYSA-N 336.460 5.462 0 40 EKAB CCCCCCC1(/C=C\c2ccc(Cl)cc2Cl)OCCCO1 17108295 WBEFDGHDQBDODX-LUAWRHEFSA-N 343.294 6.110 0 40 EKAB COc1ccc2c(=O)c(-c3ccc(C)cc3)c(-c3ccccc3)oc2c1 26897582 STZVNNYMWXHTCM-UHFFFAOYSA-N 342.394 5.444 0 40 EKAB CN(Cc1cccs1)C(=O)/C=C/c1ccc(-c2ccccc2)s1 31524219 SARPYYIWKFTBAE-ZRDIBKRKSA-N 339.485 5.148 0 40 EKAB O=C(N1c2ccccc2Sc2ccc(Cl)cc21)C(F)(F)F 34072439 QCNBLFVPKYXMOQ-UHFFFAOYSA-N 329.730 5.032 0 40 EKAB O=C(CC1CCCC1)N[C@H](c1ccccc1)c1cc2ccccc2o1 39535629 XWGLUZVKBHMALD-JOCHJYFZSA-N 333.431 5.219 0 40 EKAB O=C(Nc1ccc(Cl)cc1F)c1ccccc1SC(F)(F)F 57996488 JHQNCNSCISQARV-UHFFFAOYSA-N 349.736 5.343 0 40 EKAB FC(F)(F)c1ccc2nc(Cl)c(Br)c(Cl)c2c1 95098204 YJVICKLIDRBOHR-UHFFFAOYSA-N 344.945 5.323 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 224726550 XIHDHFXQTYAFEA-QGZVFWFLSA-N 339.479 5.395 0 40 EKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)cc1 245311353 NVJGSGCNENBVHJ-RXVVDRJESA-N 346.455 5.299 0 40 EKAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H](c3ccccc3)[C@H](C)O[C@H]21 257323580 WKYVROPYJUYPNH-XBQLCILLSA-N 338.447 5.116 0 40 EKAB CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OCC 408535508 ZLRMTZYFDSISPK-UHFFFAOYSA-N 347.842 5.170 0 40 EKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(Cl)c1 116984 UJUUBNVOMUUKJT-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB Cc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 190877 FBGBVBFKIQGXHE-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1ccn2c(NCc3ccc(F)cc3)c(-c3cccs3)nc2c1 413695 OQBDZHVCJJSDBU-UHFFFAOYSA-N 337.423 5.122 0 40 EKAB c1ccc2c(c1)C[C@H]1C[C@]34CSC[C@]3(Cc3ccccc3C4)C[C@H]1C2 1557292 MADDTDRCORVCCR-NVPYSNMXSA-N 346.539 5.330 0 40 EKAB CC[C@@](C)(CCC(O)(c1ccccc1)c1ccccc1)c1ccccc1 3125063 ROQCRYGAICSMOD-DEOSSOPVSA-N 344.498 6.071 0 40 EKAB Cc1ccc(Cl)c(NC(=O)Nc2ccc(F)cc2F)c1Cl 3434448 VYQVIBFEYQPEKT-UHFFFAOYSA-N 331.149 5.224 0 40 EKAB COc1cccc(NC(=S)NC2CCCCCCCCCCC2)c1 5550358 VXOKPGRQZOFVAR-UHFFFAOYSA-N 348.556 5.655 0 40 EKAB CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCC 8253874 LRJQVAGESQEGFC-UHFFFAOYSA-N 339.907 5.340 0 40 EKAB CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 8428802 YZSFAPYZVJZATJ-UHFFFAOYSA-N 343.348 5.064 0 40 EKAB C1=C[C@H]2C[C@@H]1CC21COC(c2ccc3oc4ccccc4c3c2)OC1 8816134 XKPRGYDWDGPTBV-SZXFGGEGSA-N 332.399 5.214 0 40 EKAB CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1 8916736 UIJTWWNSLXQWBB-UHFFFAOYSA-N 333.431 5.246 0 40 EKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1 11914742 ORZCDURSKPSBRU-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB CC[C@H](NC(=O)c1cc(C)c(C)s1)C12CC3CC(CC(C3)C1)C2 28631882 MIKOGMRCXJZXOF-LMFLDHGRSA-N 331.525 5.090 0 40 EKAB Clc1ccc(C2=CCN3CC=C(c4ccc(Cl)cc4)C23)cc1 31870608 NYBNLRABXXYFQW-UHFFFAOYSA-N 328.242 5.158 0 40 EKAB Cc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 59181203 DXKMCVSGVONBFD-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB Clc1ccc(-c2cc(Cl)nc(-c3cccc(Cl)c3)n2)cc1 78401240 WOCSYKXZKCBHKU-UHFFFAOYSA-N 335.621 5.771 0 40 EKAB CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(C)c1 106992444 ULPWADXOYPSYLC-UHFFFAOYSA-N 338.278 6.011 0 40 EKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Cl)cc1C 222949329 ODYHLYOGRNJQIY-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)c1ccccc1OCc1ccccc1 224273615 DHXNGLARXSBHFI-UHFFFAOYSA-N 339.479 5.210 0 40 EKAB CC(C)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 499023 SYFYXVBAOLJIHK-UHFFFAOYSA-N 342.446 5.155 0 40 EKAB COc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 506499 RSHMLORPKHFOAZ-NRFANRHFSA-N 331.415 5.121 0 40 EKAB O=c1cc(-c2cc3cc(Cl)ccc3o2)c2cc3c(cc2o1)CCC3 2226300 DWYXIVMRXGXVNA-UHFFFAOYSA-N 336.774 5.348 0 40 EKAB biogenic CCc1ccc(Cl)c(CC)c1NC(=O)C[C@H](C)c1ccccc1 3444789 KBOUCLHLYAZJJE-AWEZNQCLSA-N 329.871 5.597 0 40 EKAB CC(C)[C@@H](C(=O)NC1c2ccccc2-c2ccccc21)c1ccccc1 4994448 CJKNPZHEGPMBEY-JOCHJYFZSA-N 341.454 5.312 0 40 EKAB aggregator Clc1cnc2nc(SCc3c(Cl)cccc3Cl)[nH]c2c1 5454981 UEKFMTQPSOTHJN-UHFFFAOYSA-N 344.654 5.210 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)Cc1ccc(Br)cc1 6232143 GOWJOVMSAJQCMI-UHFFFAOYSA-N 346.268 5.062 0 40 EKAB CCn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1Cl 6359454 CHAKBANXPFKDIF-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB FC(F)(F)c1cccc(NCc2cccc(Br)c2)c1 6392100 SCQBBRDKRJXXSD-UHFFFAOYSA-N 330.147 5.080 0 40 EKAB Cc1ccc(-c2n[nH]c(SCc3cccc4ccccc34)n2)cc1 6404620 SGAXIHWBZIOHNB-UHFFFAOYSA-N 331.444 5.226 0 40 EKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 8480344 HRCNHLZIVFQKGO-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c(C)c1 8480874 SFBABUVTBYBKRU-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 13710871 KQXLUMQYAYDXOT-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccc(F)c(NC(=S)Nc2cc(Cl)ccc2Cl)c1 13840269 JHBRHDIOWKWMDI-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCOc1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 38757070 IREHWEZGEWCIRX-KRWDZBQOSA-N 349.883 5.248 0 40 EKAB Cc1ccc2c(CC(=O)Nc3cccc4ccccc34)coc2c1C 39883746 JZAIMIXZBMGYLY-UHFFFAOYSA-N 329.399 5.384 0 40 EKAB Oc1cc(/N=N/c2ccccc2Br)c2ccccc2c1 110297449 JOMSZMADEPLXQA-VHEBQXMUSA-N 327.181 5.723 0 40 EKAB Clc1cccc(Cc2cnc(Nc3ccccn3)s2)c1Cl 180392 WHHUKWZWXTXNJI-UHFFFAOYSA-N 336.247 5.179 0 40 EKAB CCOc1ccc(NC(=O)C[C@H](Cc2ccccc2)c2ccco2)cc1 489306 SXLVDVFIDYKDHJ-SFHVURJKSA-N 349.430 5.033 0 40 EKAB biogenic Cc1ccc(-c2nc3ccccc3n2OCc2ccccc2Cl)cc1 1396562 WUZRAMOTKDTSHB-UHFFFAOYSA-N 348.833 5.294 0 40 EKAB C=C(c1ccc(OC)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1580600 BMZAWYJUINZIOI-UHFFFAOYSA-N 338.491 6.057 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1 5951253 ZLEJOBWTRCYJLK-UHFFFAOYSA-N 347.458 6.051 0 40 EKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 8224140 XKLFJZHJIBCLMG-SNVBAGLBSA-N 326.248 5.113 0 40 EKAB Clc1ccccc1-c1nc(Nc2ccccc2)c2ccccc2n1 8971672 IFTYGOSBDWNXRN-UHFFFAOYSA-N 331.806 5.694 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(F)cc1 14738023 MUHCYTVWWNYQGL-UHFFFAOYSA-N 329.415 5.090 0 40 EKAB N=C(c1cccs1)c1ccccc1Cc1cccc2ccccc12 17379649 ZHGDWLRQQFAGTK-UHFFFAOYSA-N 327.452 5.908 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 78458834 DBZSOKMBSAPWMF-LJQANCHMSA-N 343.470 5.390 0 40 EKAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 113970469 RQPOQAQXPZTNAT-GOSISDBHSA-N 331.843 5.007 0 40 EKAB CC(C)NC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118918330 HRROJQJBNRGRQT-OWNQEUAMSA-N 347.587 5.148 0 40 EKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1C(C)C 223379053 HKIDQQWESBIIQD-QGZVFWFLSA-N 339.479 5.235 0 40 EKAB CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253500141 XTSCVFJBNHHMKD-MOQAAOHWSA-N 332.528 5.129 0 40 EKAB biogenic CC(C)Oc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 408565569 LKGFNDSGZOTQTF-SDNWHVSQSA-N 337.463 5.423 0 40 EKAB CCCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 409094414 FBSZXWBXIGDGRF-UHFFFAOYSA-N 343.883 5.014 0 40 EKAB Clc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1Cl)N2 409188549 DAKUHBWSUCOLOA-JEBQAFNWSA-N 334.246 5.628 0 40 EKAB CC(C)N(CCOc1cccc(F)c1Oc1ccccc1)C(C)C 585266174 FEYFSWQRLNKJKJ-UHFFFAOYSA-N 331.431 5.116 0 40 EKAB O=C(NCCc1ccc(-c2cccs2)s1)c1ccccc1Cl 1889278504 XIBZIKPOENHLBY-UHFFFAOYSA-N 347.892 5.103 0 40 EKAB CCc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccccc1 319108 QTAGSJKBTNSAIQ-UHFFFAOYSA-N 333.412 5.146 0 40 EKAB CCOc1cccc2cc(-c3cc(=O)oc4c(C)cc(C)cc34)oc12 490706 APCKXNZSZZTTNT-UHFFFAOYSA-N 334.371 5.222 0 40 EKAB biogenic CCCN(CCC)[C@@H](C)[C@@H](O)c1cc2c(c3ccccc13)CCCC2 1706394 BQHOCPDJYJKEBN-GAJHUEQPSA-N 339.523 5.263 0 40 EKAB Fc1cccc2c(SCc3ccc(Cl)cc3Cl)cnnc12 1713796 WIUFJAFQRZXBDB-UHFFFAOYSA-N 339.222 5.368 0 40 EKAB Cc1cc2nc3nc(-c4ccccc4)cc(-c4ccccc4)n3c2cc1C 2182309 IKZCKMPVTBIOIS-UHFFFAOYSA-N 349.437 5.833 0 40 EKAB CC(C)[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1ccccc1 2340501 YMZHXYMUXUDIGT-VXKWHMMOSA-N 335.491 5.474 0 40 EKAB Cc1ccc2c(CSC/C=C/c3ccccc3)cc(=O)oc2c1C 2655077 HFKVHRHZBYUZTQ-RMKNXTFCSA-N 336.456 5.356 0 40 EKAB CCOc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 4137763 HGOBSOUTFFCSEB-UHFFFAOYSA-N 345.424 5.187 0 40 EKAB Cc1ccc(-c2cnc(NCc3cccc(Cl)c3Cl)n2C)cc1 4678601 VHYNGNTZDSSPSP-UHFFFAOYSA-N 346.261 5.314 0 40 EKAB Cc1ccc(C)c2c1[C@@H](c1ccccc1)N(N=O)[C@@H]2c1ccccc1 4962273 WJUAOAVJNBDDAJ-FGZHOGPDSA-N 328.415 5.479 0 40 EKAB CSc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 5222530 BKEIIWDFBNJQHT-UHFFFAOYSA-N 340.473 5.093 0 40 EKAB Cc1ccc(C)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 5962251 SSQAAAVKGBMGHS-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 6654166 JYBIXHXGHNTTOF-CQSZACIVSA-N 347.911 5.802 0 40 EKAB O=C(Nc1ccc2scnc2c1)c1ccc(Cc2ccccc2)cc1 7596983 BHXRXHQVFGDENV-UHFFFAOYSA-N 344.439 5.139 0 40 EKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1 9596418 BWFKHPDWZMAJCP-UHFFFAOYSA-N 342.748 5.023 0 40 EKAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 10111721 AROGQNWNTNCPFS-INIZCTEOSA-N 337.507 5.773 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10433928 GGEJPYKQVQUUPF-UHFFFAOYSA-N 329.871 5.517 0 40 EKAB CC[C@H]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3F)c2C1 12633972 NIGQWFKZYNXKFL-ZDUSSCGKSA-N 339.841 6.209 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 13057280 ZESXHOZFCAEOFE-LBPRGKRZSA-N 335.806 5.010 0 40 EKAB Cc1occc1-c1[nH]nc(-c2nc3ccccc3[nH]2)c1-c1ccccc1 25436795 YNZNYANLYGZNRT-UHFFFAOYSA-N 340.386 5.188 0 40 EKAB C[C@@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1 28352057 UHHQZGDDYBDHMD-HZPDHXFCSA-N 343.430 5.302 0 40 EKAB Cc1ccccc1NC(=S)N[C@H](c1cccs1)C1CCCC1 44079690 VKHUZICSXCUMIV-KRWDZBQOSA-N 330.522 5.274 0 40 EKAB O=C(/C=C/c1ccsc1)Nc1ccccc1Oc1cccc(F)c1 59920483 WVALXLLSXDIAAD-CMDGGOBGSA-N 339.391 5.331 0 40 EKAB CC[C@@H](C)N1C(=O)CC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 85430325 YAUWRDYQOFEPPN-BEFAXECRSA-N 332.447 5.297 0 40 EKAB O=C(Nc1ccccc1OC1CCCC1)c1ccc(-n2cccc2)cc1 95351297 UAFRLQKKWMQLMV-UHFFFAOYSA-N 346.430 5.051 0 40 EKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)N1c1ccccc1 103108160 DSBILKPAQVKIQT-PBNUPURSSA-N 347.458 5.268 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 224459114 IQHNOGSHQQBCBC-UWJYYQICSA-N 341.495 5.330 0 40 EKAB CCCO[C@@](C)(CCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225740498 VLUHJQVPXKOSPU-FQEVSTJZSA-N 335.488 5.015 0 40 EKAB Cc1ccc(SCc2ccc(C(=O)NCCC(C)C)cc2)cc1 408549513 ZFDOUHWDZJNFEB-UHFFFAOYSA-N 327.493 5.063 0 40 EKAB O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCCCCC1 408922726 RIABQPLYANMSAM-KNTRCKAVSA-N 339.866 5.283 0 40 EKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)cc1 61787 LPHRTBKMMPFRSI-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB O=C(CCNc1ccc(F)cc1)c1ccc2c(c1)Cc1ccccc1-2 1438722 UDNBDVGJGGVBAG-UHFFFAOYSA-N 331.390 5.082 0 40 EKAB CCCCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 2399321 UPKJBPOGUYFQPK-UHFFFAOYSA-N 342.489 5.441 0 40 EKAB CN(c1ncnc2scc(-c3ccc(F)cc3)c12)C1CCCCC1 3275618 TUBYJDHPLFXNAJ-UHFFFAOYSA-N 341.455 5.266 0 40 EKAB CCCC[C@@H](CC)CNC(=O)c1csc(Nc2ccc(C)cc2)n1 4675425 NSDBHVPMYVRFGB-OAHLLOKOSA-N 345.512 5.141 0 40 EKAB Cn1c([C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 5234788 NJRKVGWQEQWLHC-FQEVSTJZSA-N 330.456 5.455 0 40 EKAB CCOc1ccccc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C 6303968 ILOHZJIFULLKDH-SFHVURJKSA-N 331.843 5.117 0 40 EKAB Clc1ccc2[nH]c(COc3ccccc3Cc3ccccc3)nc2c1 6566839 MDSJIJMHXHFOBX-UHFFFAOYSA-N 348.833 5.386 0 40 EKAB COc1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1OC 7717295 GVACEPFBYSJGQL-XBXARRHUSA-N 331.824 5.137 0 40 EKAB c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 12080488 WIPFNUCTWXNWNH-RDTXWAMCSA-N 338.457 5.052 0 40 EKAB CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 13714166 WUEPRPUYMIZVFA-OAQYLSRUSA-N 345.833 5.353 0 40 EKAB FC(F)(F)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 13747937 SUQJOFHFEISSEO-UHFFFAOYSA-N 330.762 5.168 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 26392953 GZOSMCIZMLWJML-QYMSGSEDSA-N 349.518 5.399 0 40 EKAB biogenic Cc1ccc(C)c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 26399183 SIIKDYAEWDGLTD-UHFFFAOYSA-N 328.626 5.516 0 40 EKAB Cc1c(Cl)cccc1Nc1c(-c2cccc(O)c2)nc2ccccn12 35616266 WIMWAFUGEHNWOL-UHFFFAOYSA-N 349.821 5.412 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccccc1Cl 44884007 LSMMRKCTPZFLSW-KRWDZBQOSA-N 345.870 5.261 0 40 EKAB COc1ccc(NC(=S)Nc2ccc(Cl)c(C)c2)cc1Cl 71761855 CYXSOYNAPZTZQW-UHFFFAOYSA-N 341.263 5.119 0 40 EKAB CCOc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 219003368 HBLUYBLXRUEEKP-UHFFFAOYSA-N 345.442 5.123 0 40 EKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 224453403 ZYSHTHMENDBQPC-QGZVFWFLSA-N 347.458 5.678 0 40 EKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(F)c(Cl)c1 408571412 ASZIOHSAVQDHED-DHZHZOJOSA-N 341.769 5.391 0 40 EKAB CCCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1Cl 409121897 VPLGCCKNICWAPK-UHFFFAOYSA-N 338.278 6.011 0 40 EKAB COc1ccc([C@H]2C=C3c4ccccc4C(=O)N3C3=C2CCCC3)cc1 507483 XNHBSJVXEZJSKU-HXUWFJFHSA-N 343.426 5.117 0 40 EKAB CC(C)(C)C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 558508 BTVGLCWHSNMOAP-UHFFFAOYSA-N 344.414 5.633 0 40 EKAB COc1ccc(Oc2cccc3c2C(=O)C[C@H]3c2ccccc2)cc1 1403136 BZSASGNINFYCBN-IBGZPJMESA-N 330.383 5.206 0 40 EKAB Cc1nn(-c2ccccc2)c2nc(C(C)(C)C)cc(C(F)(F)F)c12 2733815 GRJPEBTWCXYJIL-UHFFFAOYSA-N 333.357 5.045 0 40 EKAB c1ccc(-c2cc(-c3nc4ccccc4s3)c3ccccc3n2)cc1 3236506 OCFQXQSFHNMAIW-UHFFFAOYSA-N 338.435 6.179 0 40 EKAB CCOc1cc(C=O)ccc1OCC12CC(C[C@@H](C)C1)C[C@@H](C)C2 3252765 GKTRPNDNNNRIIW-WRHRYDJXSA-N 330.468 5.129 0 40 EKAB Cc1cc(Nc2ccc(N(C)C)cc2)c2ccc(C(F)(F)F)cc2n1 5520865 GQKGODGPBWJMSG-UHFFFAOYSA-N 345.368 5.372 0 40 EKAB O=C(OC(c1ccccc1)c1ccccc1)c1cccc2ccccc12 5737631 NVDSTIKYHIPDRO-UHFFFAOYSA-N 338.406 5.786 0 40 EKAB CCCCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 7261038 NTWOJABYAYDCQJ-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB Cc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 7279103 SYIZYVFOKQHLJN-QFIPXVFZSA-N 340.426 5.512 0 40 EKAB CSc1cccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c1 12746094 LMNWHGHXGNXUDN-UHFFFAOYSA-N 334.444 5.031 0 40 EKAB Cc1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 40935791 HXQRAZTUUZVKLB-UHFFFAOYSA-N 333.412 5.797 0 40 EKAB in-vivo Cc1cccc(OC(F)F)c1NC(=O)c1sccc1C(C)C 69777626 USJUVZAQLGEGGY-UHFFFAOYSA-N 325.380 5.034 0 40 EKAB CCN1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1 102671013 MBOGVPYNONBYKW-JOCHJYFZSA-N 346.474 5.972 0 40 EKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1c(C)cc(C)cc1C 216468855 BLVYPHNRPFSOHT-SFHVURJKSA-N 325.452 5.025 0 40 EKAB CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219738418 ATGQBKHETHNWMG-MRXNPFEDSA-N 339.479 5.262 0 40 EKAB O=C(CCc1cccc2ccccc12)NCc1cccc2ccccc12 222890500 SUVNOTVQTLIYKL-UHFFFAOYSA-N 339.438 5.242 0 40 EKAB CCCO[C@@](C)(CC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225732539 HEXVXHSWWPNXRQ-UZLBHIALSA-N 335.488 5.015 0 40 EKAB Cc1ccccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 271348 LDVROMXQDNAZMB-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB Cc1cccn2c(NC3CCCCC3)c(-c3ccc(Cl)cc3)nc12 320002 ODTDVUBPDJBCLV-UHFFFAOYSA-N 339.870 5.708 0 40 EKAB CCOc1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 363913 QLLCJHLODMGZJW-INIZCTEOSA-N 325.452 5.026 0 40 EKAB CCN(C(=O)c1ccccc1C)c1nc(-c2ccc(C)cc2)cs1 932654 WHBIJEGPUPTDTK-UHFFFAOYSA-N 336.460 5.094 0 40 EKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(C)=CC[C@]4(C)[C@H]3CC[C@]12C 3850021 OLUAAWREULLCHM-FYYUJBKDSA-N 330.512 5.517 0 40 EKAB Cc1ccccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 5034716 QZKPWLBBVNNOJM-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB CC1(C)CC(=O)[C@H]2[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@]2(C)C1 5415022 CIMULNHZAFWYPH-NNXSRULWSA-N 333.475 5.084 0 40 EKAB Clc1ccc(-c2csc(/C=C/c3ccc4c(c3)OCO4)n2)cc1 5505949 NVVBWVCVYCHFJP-KRXBUXKQSA-N 341.819 5.363 0 40 EKAB CC[C@H](C(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 6307748 BUMDCUQTACDMDV-KRWDZBQOSA-N 325.452 5.125 0 40 EKAB CC(C)CNCc1ccccc1OCc1ccc(Cl)cc1Cl 6883662 PYGIIAGCYKPJLP-UHFFFAOYSA-N 338.278 5.318 0 40 EKAB Cc1cc(C(C)(C)C)ccc1OC(=O)c1cccc(-n2cccc2)c1 7981122 NOBIBBGQCQKGON-UHFFFAOYSA-N 333.431 5.302 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)c1sc(-c2ccccc2)nc1C 7996036 NIYCJHRTZOAFLW-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CCc1ccc2occ(CC(=O)Nc3ccccc3C(F)(F)F)c2c1 8611878 YHCVYEQJHOAWDY-UHFFFAOYSA-N 347.336 5.195 0 40 EKAB CCn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 13325466 QVLZNRCBLMHUNC-UHFFFAOYSA-N 347.846 5.050 0 40 EKAB Cc1ccc(-c2cc(Nc3ccc(N4CCCC4)cc3)nc(C)n2)cc1 19822016 WMLIFLVSTBQZNY-UHFFFAOYSA-N 344.462 5.104 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1Cl 21577768 LOZQLEGBJCXZQD-UHFFFAOYSA-N 346.833 5.030 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 44880120 KZLXKBUYJNHIAE-GOSISDBHSA-N 345.870 5.479 0 40 EKAB C(=C/c1ccccc1OCc1cccnc1)\c1nc2ccccc2s1 59269515 SOLPIJFPXXNACH-VAWYXSNFSA-N 344.439 5.441 0 40 EKAB Cc1c([C@@H](C)OC(=O)Cc2c[nH]c3ccccc23)oc2ccccc12 60788754 QMJYNOKAJNWHEO-CQSZACIVSA-N 333.387 5.069 0 40 EKAB CCC[C@@H](C(=O)NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 65586855 OACGCRFZIQZOOT-RXXSEBCPSA-N 339.523 5.293 0 40 EKAB Clc1cccc(Cl)c1OCc1cccc(Br)c1 70136127 QNAOIFYUSVVUCH-UHFFFAOYSA-N 332.024 5.335 0 40 EKAB Cc1cc2oc(-c3ccc(-c4ccccc4)cc3)nc2c(C)c1Cl 73642159 PZJXCUQLPVOIIJ-UHFFFAOYSA-N 333.818 6.432 0 40 EKAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 75283885 QZYMYLSCWNPTAL-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 95865002 ZWJSLCYDYKYAGX-OBUPQJQESA-N 346.599 6.444 0 40 EKAB Cc1ccc(Cl)c2c1[C@@H]1c3ccccc3[C@@H]2c2cccc(Cl)c21 101012853 OSXQVWISCSVXAF-QUCCMNQESA-N 337.249 6.289 0 40 EKAB Cc1ccc([C@@H](NC(=O)c2cc(C)ccc2C)c2ccccc2)c(C)c1 222981879 QLANIEAKEYKJSE-QHCPKHFHSA-N 343.470 5.440 0 40 EKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc2ccccc12 225651687 GPKZEPHRPWJEKT-INIZCTEOSA-N 345.442 5.125 0 40 EKAB CN1CCC[C@H]1CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 1171 YNNUSGIPVFPVBX-SFTDATJTSA-N 343.898 5.104 0 40 EKAB biogenic Cc1sc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1C 215469 VREATLQORSAPGV-UHFFFAOYSA-N 347.443 5.844 0 40 EKAB C=C1c2cc(C)c(C)cc2NC(=O)N1c1ccc(Br)cc1 554182 SGENFUKTMUKOOT-UHFFFAOYSA-N 343.224 5.089 0 40 EKAB COc1cccc2c3c(c(C)nc12)CCN3c1ccc(C(C)C)cc1 4050997 VRCXQXCXLBOLQJ-UHFFFAOYSA-N 332.447 5.369 0 40 EKAB CC(C)CC[C@@H](CCN[C@@H](C)c1ccc(Cl)cc1)c1ccco1 5323188 NNSCSQWLZUNLPB-WMZOPIPTSA-N 333.903 6.194 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)c1 8729280 DYXMUNYHURDJCB-FQEVSTJZSA-N 348.471 5.171 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1cccc(Cl)c1 9425849 SIYIUXCNDQNZBJ-UHFFFAOYSA-N 339.847 5.744 0 40 EKAB Cc1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 13329961 SOSGTLFBWIRTTO-LBPRGKRZSA-N 337.250 5.493 0 40 EKAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4cc[nH]c4c3)s2)cc1 13687074 RFEDXXXCQPBGKK-UHFFFAOYSA-N 347.443 5.161 0 40 EKAB CCOc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13688225 WAICKCKAVDIYDF-UHFFFAOYSA-N 345.442 5.123 0 40 EKAB CCOc1ccc(-c2nc(-c3ccccc3)c(C)s2)cc1OC 15518767 ZZYCHZLJUXJHPJ-UHFFFAOYSA-N 325.433 5.193 0 40 EKAB Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2ccccc2)n1 17071031 OCJUYDRVYGUELD-UHFFFAOYSA-N 338.454 5.882 0 40 EKAB Cc1ccc(-c2nc3ccccc3c(=O)n2[C@@H]2CCCC[C@@H]2C)cc1 20799285 IAOALHBKCGJCNF-OXJNMPFZSA-N 332.447 5.123 0 40 EKAB CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OC 21503831 QQMIGFTZFDBMEG-UHFFFAOYSA-N 326.223 5.013 0 40 EKAB Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3Nc1ccccc1 43023753 IXYPWFUDXMSOQR-KRWDZBQOSA-N 341.252 5.420 0 40 EKAB O=C(Nc1ccccc1C(F)(F)F)c1csc(-c2ccccc2)n1 61036469 GMFMHLRYMIRCOG-UHFFFAOYSA-N 348.349 5.081 0 40 EKAB C=Cc1ccc(CSc2nc(O)c3oc4ccccc4c3n2)cc1 67259864 AJDMKXAAZVKXEA-UHFFFAOYSA-N 334.400 5.017 0 40 EKAB CCc1ccc(O[C@H](CC)C(=O)Nc2cc(Cl)ccc2C)cc1 222876787 NLSSAJYHPKGHJM-GOSISDBHSA-N 331.843 5.007 0 40 EKAB Cc1ccc(Cl)cc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 225078329 FQRMSXGSYQQJJZ-OAHLLOKOSA-N 341.259 5.090 0 40 EKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1F 225201180 KGRTUJMJAKCCAP-UHFFFAOYSA-N 341.769 5.524 0 40 EKAB CCOC(=O)c1ccc2nc(C)c(C/C=C(\C)Cl)c(Cl)c2c1 345874 YCPPVOWFLAYTJA-BJMVGYQFSA-N 338.234 5.058 0 40 EKAB CCOc1cccc2cc(-c3cc(=O)oc4ccc(CC)cc34)oc12 491169 BFCRXKDYCPCQNU-UHFFFAOYSA-N 334.371 5.167 0 40 EKAB biogenic FC(F)Sc1ccc(-c2csc(Nc3ccccc3)n2)cc1 496175 XDWADFUUASOSNH-UHFFFAOYSA-N 334.416 5.868 0 40 EKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(F)cc1 1513074 PFGLNAIANHLHRW-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB CCCCC[C@H](C)NC(=O)c1cc(-c2ccco2)nc2ccccc12 2753157 QRKXOGZILQIMPS-HNNXBMFYSA-N 336.435 5.193 0 40 EKAB Cc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1 3328364 JEXNNDXQXQYMAQ-UHFFFAOYSA-N 342.489 5.141 0 40 EKAB CCCCOc1ccc(CNCC2(c3ccccc3)CCCC2)cc1 4752100 XOUXKTFKPCTBKQ-UHFFFAOYSA-N 337.507 5.467 0 40 EKAB c1ccc(C2=NN(c3ccc4ccccc4c3)[C@H](c3ccccc3)C2)cc1 4828517 NWHJZEJVIAHZBT-VWLOTQADSA-N 348.449 6.196 0 40 EKAB Cc1ccc(C(=O)c2c[nH]cc2-c2ccc(Cl)cc2Cl)cc1 6922811 RENZHLMGRORCKC-UHFFFAOYSA-N 330.214 5.528 0 40 EKAB Clc1ccc(-c2ccc(CNC3C4CC5CC(C4)CC3C5)o2)cc1 7524579 ZWDFZTRGOHZVRO-UHFFFAOYSA-N 341.882 5.514 0 40 EKAB CC[C@H](C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8326689 MVGKFKOUHPCARW-ZDUSSCGKSA-N 338.278 5.461 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1C 8496404 FYWWNNHHCRSNEE-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB Cc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(C)c1 12547890 YLKCENCLBPTEQY-OAQYLSRUSA-N 325.415 5.293 0 40 EKAB O=c1oc(-c2ccccc2Cl)nc2cc(-c3ccccc3)sc12 12619270 JCFMHVCAHDRLBJ-UHFFFAOYSA-N 339.803 5.237 0 40 EKAB CCCC(=O)Nc1ccc(-c2nc(-c3ccco3)sc2C)cc1 12986707 BACOCBHDNGVUBX-UHFFFAOYSA-N 326.421 5.117 0 40 EKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)cc1 17071525 MOWPSZBPEBEYRI-UHFFFAOYSA-N 342.417 5.962 0 40 EKAB Cc1cccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 21595226 GAHURRODGBTFLB-UHFFFAOYSA-N 325.452 5.089 0 40 EKAB Cc1nc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cs1 23135750 LZGSIHHHPLFYOK-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB S=C(c1cccc(OCc2cccc3ccccc23)c1)N1CCCC1 98087077 PYUZTJJLYGQGMJ-UHFFFAOYSA-N 347.483 5.190 0 40 EKAB CCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21 205272 GWVDYOHXLPCVGH-UHFFFAOYSA-N 347.439 5.528 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2c(s1)CCCC2 481721 NMMJMLRYOQOTCO-UHFFFAOYSA-N 326.248 5.186 0 40 EKAB CCc1ccc(O[P@@](C)(=O)Nc2ccc(Cl)cc2Cl)cc1 1262388 DCPPYJDLJWVHHW-OAQYLSRUSA-N 344.178 5.870 0 40 EKAB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 1597728 ZLDSBNHERHXHHL-UHFFFAOYSA-N 335.834 5.183 0 40 EKAB Cc1[nH]c2ccccc2c1C1=C[C@@]2(C)Nc3ccccc3[C@H]2C(C)(C)C1 1669598 RDLLJFOTJJUYFF-LADGPHEKSA-N 342.486 6.258 0 40 EKAB Cc1ccccc1OCCCn1cc(C(=O)C2CC2)c2ccccc21 3648652 KJJRPIBNUDBCOY-UHFFFAOYSA-N 333.431 5.012 0 40 EKAB Cc1ccc(N2[C@H]3CCCN3c3ccc(C)cc3[C@@H]2C(F)(F)F)cc1 5553196 ANDSDOUKOCZWFP-RBUKOAKNSA-N 346.396 5.353 0 40 EKAB CCCC[C@H](CC)CNC(=S)Nc1ccc(Cl)c(Cl)c1 6264617 XSXGFVPFQUERJI-NSHDSACASA-N 333.328 5.496 0 40 EKAB CSc1ccc(Cl)c(C(=O)N2CCC[C@H]2c2cccs2)c1 8324134 KHHPXBHBTYFDPZ-AWEZNQCLSA-N 337.897 5.101 0 40 EKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 13709202 TZKRULCISSUSLO-GFCCVEGCSA-N 343.785 5.038 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14401418 DRPBSVMDZUNAEH-INIZCTEOSA-N 325.452 5.007 0 40 EKAB O=C(Nc1cccc(Cl)c1)c1ccccc1COc1ccccc1 15629806 NZQMFGNKKCNEBQ-UHFFFAOYSA-N 337.806 5.171 0 40 EKAB Cc1nc2ccccc2nc1-c1[nH]c2ccccc2c1-c1ccccc1 16265574 XREZWZXQVPHVQI-UHFFFAOYSA-N 335.410 5.754 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20454195 WPZJNOGFINWBTD-QGZVFWFLSA-N 339.479 5.143 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C 20460316 YTCLQPIOKLCCAM-SCLBCKFNSA-N 345.895 5.189 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 20486578 QJVKXOUGXMMHMX-GOSISDBHSA-N 347.911 5.973 0 40 EKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc2ccccc12 21577870 INLVFZDDIGNVFJ-UHFFFAOYSA-N 348.421 5.222 0 40 EKAB Cc1ccc2c(CC(=O)Nc3ccc(Cl)c(Cl)c3)coc2c1C 39883745 TTWFLVJJKBGWLB-UHFFFAOYSA-N 348.229 5.538 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 96170948 CBSOLQUFAYDETJ-UHFFFAOYSA-N 344.720 5.191 0 40 EKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(C)CCCC2)c2ccccc12 225788571 QTAJMQLJLSPTAN-OAHLLOKOSA-N 325.452 5.536 0 40 EKAB CCCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225838264 BLPKAYZSXUJPTI-UHFFFAOYSA-N 343.467 5.018 0 40 EKAB CCc1cc2c(Sc3nc4ccccc4s3)ncnc2s1 383014 HODKZQBJUQGWPQ-UHFFFAOYSA-N 329.475 5.015 0 40 EKAB Cc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 502190 OTJZUJIOQMDRGZ-UHFFFAOYSA-N 326.399 5.706 0 40 EKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(Cl)c1 545989 LZTVLYGSHDAMMW-UHFFFAOYSA-N 340.810 5.117 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 568901 FITMRSLNJOQFNG-QGZVFWFLSA-N 339.479 5.649 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc(Br)c1 569022 BOVMFTRRVSBLHX-GFCCVEGCSA-N 332.241 5.215 0 40 EKAB CCn1c2ccccc2c2c3c(ccc21)NC(=O)c1ccccc1S3 3223868 QFTLNIOIXIZXQM-UHFFFAOYSA-N 344.439 5.531 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OC 6880745 LMZMOSXZQOQBTQ-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB COc1cccc(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 7669078 BQLMSYSAXVJMAI-UHFFFAOYSA-N 325.452 5.123 0 40 EKAB Cc1ccc([C@@H](NC(=O)Nc2cccc(C)c2)c2cccs2)cc1 12998916 LXBPDGAZENCOPV-LJQANCHMSA-N 336.460 5.276 0 40 EKAB Cc1ccc(CO[C@@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@H]32)c(C)c1 13401120 GOYSMGSBVGBIAH-FZDIXFNVSA-N 334.912 5.391 0 40 EKAB CN(C(=O)c1ccccc1)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835494 JIJIDIJAEFPBLN-FQEVSTJZSA-N 346.455 5.091 0 40 EKAB c1ccc(OCCCCn2c(-c3cccs3)nc3ccccc32)cc1 16740575 QYTSTKGOFBILJA-UHFFFAOYSA-N 348.471 5.624 0 40 EKAB CC(=O)OC/C=C(C)\C=C\C=C(C)/C=C/C1=C(C)CCCC1(C)C 26892410 QGNJRVVDBSJHIZ-VEKRBDQFSA-N 328.496 6.081 0 40 EKAB CCCCOc1ccc(-c2nnc(-c3oc4ccccc4c3C)o2)cc1 28627982 KTUZJPLTRQYKBX-UHFFFAOYSA-N 348.402 5.637 0 40 EKAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 44948432 MFBCWYSEHJEPEZ-SUMWQHHRSA-N 333.884 5.088 0 40 EKAB O=C(OC1CCCCC1)c1cc(-c2ccccc2)nc2ccccc12 50073037 BJQGTYBXVXJFTR-UHFFFAOYSA-N 331.415 5.391 0 40 EKAB C[C@H](N[C@H](C)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 57315274 XGPDUCSHOQTBSA-MSOLQXFVSA-N 344.458 5.031 0 40 EKAB O=[S@@](Cc1ccc(Cl)cc1)Cc1c(Cl)cccc1Cl 58168066 WWXDERATDKOFRE-LJQANCHMSA-N 333.667 5.096 0 40 EKAB Cc1cc(CNc2cc(Cl)ccc2Sc2ccc(F)cc2)no1 58339142 NVQRMOCAIDFRSS-UHFFFAOYSA-N 348.830 5.539 0 40 EKAB CCCCC[C@@H](CN(C)C)[C@H](O)/C=C\c1ccc(Cl)c(Cl)c1 104194305 WCYCZNSVADQWAW-UBOIJJRDSA-N 344.326 5.126 0 40 EKAB CC[C@H](C(=O)Nc1ccccc1-c1csc(C)n1)c1ccccc1 208007583 UTLCNDSLENSBLI-INIZCTEOSA-N 336.460 5.251 0 40 EKAB CCc1ccc(-n2c(C)nnc2SCc2cccc(Cl)c2)cc1 409095352 CBSFVCPNULYRGC-UHFFFAOYSA-N 343.883 5.084 0 40 EKAB Brc1cc2c(cc(Br)c3ccccc32)s1 338726 IDLQSCUUDONJLD-UHFFFAOYSA-N 342.055 5.580 0 40 EKAB CC(C)(C)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 2187275 AHTDKRMXFZHUSQ-UHFFFAOYSA-N 338.454 6.261 0 40 EKAB CCCCc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 2790489 WOXRUIQGNQWRTL-UHFFFAOYSA-N 331.843 5.009 0 40 EKAB Fc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1 3336606 KQSXOMOXZXIWTM-UHFFFAOYSA-N 329.378 5.048 0 40 EKAB CSC1=NC2=C(CCC/C2=C\c2ccccc2)[C@H](c2ccccc2)N1 6378751 UFYJQMFHAFEVJM-POLXVDLBSA-N 346.499 5.572 0 40 EKAB CCOc1ccc2oc(C(=O)Nc3ccc(Cl)cc3)c(C)c2c1 7945786 ZOLZJDKJIRDYPV-UHFFFAOYSA-N 329.783 5.046 0 40 EKAB C[C@@H]1C(c2ccccc2)=C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 13301695 UZUCCSMLMFNSDR-UKDVSSAZSA-N 339.482 6.134 0 40 EKAB COc1cccc(-c2nc(-c3ccsc3)c(-c3ccccc3)[nH]2)c1 13361689 ZDIRKBVFLXPHRK-UHFFFAOYSA-N 332.428 5.481 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)c1ccc(C)cc1 44840317 AFAODPRJPJPLRX-ZWKOTPCHSA-N 345.870 5.073 0 40 EKAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 44948420 MFBCWYSEHJEPEZ-DYVFJYSZSA-N 333.884 5.088 0 40 EKAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2ccsc2)S1 71286554 SQAVPUNBGHDNMW-OAHLLOKOSA-N 347.509 5.432 0 40 EKAB CC(C)Sc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72217567 KBZYNFXUHISPNY-IBGZPJMESA-N 326.509 5.309 0 40 EKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(Cl)c1 223006076 RJEWXWCAZPAMMY-MRXNPFEDSA-N 338.234 5.098 0 40 EKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225623979 XULMSRQQDXAQLW-JXFKEZNVSA-N 335.488 5.096 0 40 EKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c(N)c1 226348410 IMGVXUHGBZDZES-UHFFFAOYSA-N 340.810 5.051 0 40 EKAB CCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1 409133271 PRMVDAWMFTTXIE-HMMYKYKNSA-N 331.415 5.330 0 40 EKAB Fc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 2027549 ZHONNHZXRBFQTC-UHFFFAOYSA-N 325.386 6.222 0 40 EKAB Brc1ccc(-c2csc(Cc3ccccc3)n2)cc1 3199761 CLWGVVRWGGSMGS-UHFFFAOYSA-N 330.250 5.163 0 40 EKAB CCOc1ccc(Oc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1 12799878 LDSBWDYBIMNICO-INIZCTEOSA-N 337.419 5.172 0 40 EKAB C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl 34910966 JSGCDAKRIPGQSF-CMKMFDCUSA-N 348.273 5.220 0 40 EKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCC2CCCC2)cc1 71810131 RJUWRUSBJOCMMS-FQEVSTJZSA-N 329.484 5.109 0 40 EKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccccc1 106957525 NSUHATYNNLXMHV-UHFFFAOYSA-N 347.458 5.503 0 40 EKAB Cc1c(Cl)cccc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225070850 QQKMSUKUVWDRTK-GOSISDBHSA-N 346.854 5.021 0 40 EKAB Cc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)cc1 203109 AQVQJEKOHFFNQY-UHFFFAOYSA-N 348.490 5.894 0 40 EKAB Cc1cc(C)cc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1 380982 YYQHOHCALMKISC-UHFFFAOYSA-N 329.852 5.732 0 40 EKAB FC(F)(F)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 1384051 CGKMQVXUOXIDHS-UHFFFAOYSA-N 345.151 5.410 0 40 EKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 2081288 TVYANVCOQGVCFY-UHFFFAOYSA-N 339.435 5.019 0 40 EKAB Cc1ccc(N(C(=O)C2CCCCC2)c2ccc3ccccc3c2)cc1 2185043 KWFGFMWOUNJOSN-UHFFFAOYSA-N 343.470 6.393 0 40 EKAB Cc1cccc(CSc2cn(Cc3ccccc3)c3ccccc23)c1 4059620 MKVUHAHSCDUNPI-UHFFFAOYSA-N 343.495 6.290 0 40 EKAB CCCCCc1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)nc2)cc1 4903366 NVUXEMRVYUYIRX-UHFFFAOYSA-N 345.442 5.847 0 40 EKAB C[C@@H]1[C@@H]2C[C@H](c3ccc(OC(=O)Nc4ccccc4)cc3)[C@@H](C2)C1(C)C 5442946 COBDRXXOEJTYQG-UAMLPYHUSA-N 349.474 6.083 0 40 EKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ccccc2)cc1 5578006 HHVJSPHDYXROPR-UHFFFAOYSA-N 342.398 5.141 0 40 EKAB Clc1ccc(Cl)c(-c2ccc(CNC3CCCCCC3)o2)c1 7524546 JQYKHYBINRSVMR-UHFFFAOYSA-N 338.278 6.066 0 40 EKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc12 14665121 SWJOZMAJOHUNSF-MRXNPFEDSA-N 347.458 5.543 0 40 EKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccccc1 22611619 YBVUMRLMWIROJL-GOSISDBHSA-N 348.471 5.096 0 40 EKAB C[C@H](Cn1c([C@H](C)c2ccccc2)nc2ccccc21)c1ccccc1 26533504 HYSVNKWCHLLMGA-RTBURBONSA-N 340.470 5.992 0 40 EKAB CCC[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 36025407 QJNGVAWIYOINJU-NJCLLKAFSA-N 346.555 5.375 0 40 EKAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC(C)C)c1ccccc1 38752180 YZSQNCPCIHWCHS-RTWAWAEBSA-N 339.479 5.056 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 47220157 NJXVJUYFHYMTDB-LLVKDONJSA-N 340.275 5.421 0 40 EKAB CCc1c(-c2csc(-c3sccc3C)n2)[nH]c(C)c1C(C)=O 58356538 UHZDIBAHSATPGD-UHFFFAOYSA-N 330.478 5.249 0 40 EKAB O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc(SC(F)F)cc1 95461559 GSGPDQCKWNMGDT-UHFFFAOYSA-N 344.386 5.249 0 40 EKAB CCOP(=O)(CCCCCCCCCCCCN=[N+]=[N-])OCC 96639848 OFYVOAVZSBUEGN-UHFFFAOYSA-N 347.440 6.464 0 40 EKAB Cc1ccccc1C(=N)c1ccccc1Cc1cccc2ccccc12 100132721 VVFPPBFNNBVLMJ-UHFFFAOYSA-N 335.450 6.155 0 40 EKAB in-vitro C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCCC2 223003030 ZSYLRSIWMLQWDT-GOSISDBHSA-N 347.502 5.255 0 40 EKAB CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(-c3ccccc3)ccc1OC2(C)C 257259934 LASJQKMVCQOUSL-UZKOGDIHSA-N 336.475 6.161 0 40 EKAB CC(C)(C)CC(C)(C)NC(=O)NC(=S)c1cccc2ccccc12 408732965 USCCEXAFZABVHY-UHFFFAOYSA-N 342.508 5.029 0 40 EKAB CCCOc1ccc(CNc2ccccc2CC)cc1Br 409120784 UAGAEVUXHPTJNX-UHFFFAOYSA-N 348.284 5.412 0 40 EKAB CC(C)C[C@H](N)COc1ccc(F)cc1Oc1cccc(Cl)c1 585263926 HNHSHFWIBSKNOI-HNNXBMFYSA-N 337.822 5.024 0 40 EKAB Cc1c(-c2ccccc2)c(=O)oc2c(Br)cc(Cl)cc12 57984 GRNKFMFZOXQAGS-UHFFFAOYSA-N 349.611 5.184 0 40 EKAB biogenic Cc1ccc(O[C@H](C)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 365133 LPKVYIWZICLWAU-QGZVFWFLSA-N 339.479 5.648 0 40 EKAB O=C1[C@H](C2(Cl)CCCCC2)CCC[C@H]1C1(Cl)CCCCC1 2272762 KOEQHYLZXJFOST-HUUCEWRRSA-N 331.327 5.855 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(OC(C)C)cc1 3293636 NFSMTUJZJXHLBL-UHFFFAOYSA-N 341.451 5.032 0 40 EKAB CCC1(CC)O[C@H](c2ccc(Cl)c(Cl)c2)Nc2ccccc21 3672603 QQQCWJDXSRHEKL-QGZVFWFLSA-N 336.262 6.150 0 40 EKAB Clc1cccc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)c1 4627764 BUABAUHIHBMGQL-GOSISDBHSA-N 338.863 5.757 0 40 EKAB CCCSc1nc2sc3c(c2c(=S)[nH]1)C[C@@](C)(CC)OC3 5738639 JRTDMRYRUJLHSJ-OAHLLOKOSA-N 340.539 5.097 0 40 EKAB O=C(c1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 12641208 WHXLFARARONQOO-UHFFFAOYSA-N 343.304 5.124 0 40 EKAB C[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN12 13302727 XAPJFQGEZHMFNL-OPAMFIHVSA-N 340.426 5.243 0 40 EKAB CC(C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 20468866 SELUCJPNYLCNAL-UHFFFAOYSA-N 347.911 5.259 0 40 EKAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1csc2ccccc12 40156487 LWNVWOJTEMQTAF-UHFFFAOYSA-N 349.411 5.222 0 40 EKAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 44881007 XOQGTTBLXVSWAS-HXUWFJFHSA-N 339.479 5.442 0 40 EKAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccccc1Cl 57906782 NJEWQAUTXKBSFN-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB O=C(Nc1ccc2nc(-c3ccccc3Cl)oc2c1)c1ccccc1 62049550 SFTVVWSLWMDSCC-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB Fc1c(Cl)cccc1NC(=S)Nc1cc(Cl)cc(Cl)c1 71326197 YXKXTDFJIIIZOK-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB Cc1cc2[nH]c(-c3cc(Cl)cc(Cl)c3N)nc2cc1Cl 73634800 UCEPKAJZYHJAFW-UHFFFAOYSA-N 326.614 5.081 0 40 EKAB Cc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1C 73639626 KSNWSABWVCPXGF-UHFFFAOYSA-N 330.225 5.491 0 40 EKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2c(ccc3ccccc32)o1 408616249 FJTZZHRGEQLJHT-UHFFFAOYSA-N 345.442 5.285 0 40 EKAB CC(C)CC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 134141 PELKDBUJKOWOCT-UHFFFAOYSA-N 343.279 5.025 0 40 EKAB Cc1ccccc1Nc1c(-c2c[nH]c3ccccc23)nc2ccccn12 201195 YWGJQKYOSRHSJV-UHFFFAOYSA-N 338.414 5.535 0 40 EKAB Clc1ccc(-c2cnc(Oc3cccc4ccccc34)nc2)cc1 1383864 YQYRRQLQUUGVSW-UHFFFAOYSA-N 332.790 5.743 0 40 EKAB c1ccc(CSc2nnc(-c3ccccc3)c3ccccc23)cc1 1553772 ZARFDTJTQSGPEC-UHFFFAOYSA-N 328.440 5.589 0 40 EKAB O=C(c1ccc(Cl)cc1)N1CCC(CCCc2ccccc2)CC1 1738618 PKXYWKQFNHADKF-UHFFFAOYSA-N 341.882 5.215 0 40 EKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(O)cc23)cc1 1972070 NOYUXCOBMGWSRX-BSYVCWPDSA-N 343.382 5.046 0 40 EKAB Fc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc12 2268228 VCHQVHHBXVXSNE-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB O=C(Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F 3447571 PVCBQSIUZLWSJO-UHFFFAOYSA-N 347.308 5.272 0 40 EKAB Cc1ccc(F)cc1NC(=O)Cc1coc2ccc3ccccc3c12 6388945 GFSILCXCOAINJZ-UHFFFAOYSA-N 333.362 5.215 0 40 EKAB c1ccc(-c2c(-c3nc4ccccc4[nH]3)n[nH]c2-c2cccs2)cc1 6566955 LQZDAGVEDULSBF-UHFFFAOYSA-N 342.427 5.349 0 40 EKAB COc1cccc(/C=C/c2nc3cc(C)c(C)cc3s2)c1OC 6611705 GJDOKVFYCQEDQU-CMDGGOBGSA-N 325.433 5.101 0 40 EKAB O=C(Nc1ccccc1F)c1ccccc1SCc1ccccc1 7684592 NMAXMTYLUDENMX-UHFFFAOYSA-N 337.419 5.370 0 40 EKAB CCc1ccc2c(CC(=O)Nc3ccc(Cl)c(Cl)c3)coc2c1 7814083 LTXLMULRCKSMBC-UHFFFAOYSA-N 348.229 5.483 0 40 EKAB Cc1nc(-c2cccc(NC(=O)C3CC3)c2)sc1-c1ccccc1 8042067 WCSJFQCEDLJZLI-UHFFFAOYSA-N 334.444 5.134 0 40 EKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1Cl 8328581 KGBZQKBQRVJYDD-LBPRGKRZSA-N 343.785 5.038 0 40 EKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Cl 14665143 VLUSSYXATPVJQJ-ZDUSSCGKSA-N 331.843 5.044 0 40 EKAB CC(C)=CCC/C(C)=C/CC[C@@]1(C)C=Cc2c(O)cc(C)cc2O1 15120191 WQOSNKWCIQZRGH-BPNKPRMTSA-N 326.480 6.338 0 40 EKAB biogenic CSCc1c(C(=O)NC2CCCCCCC2)oc2ccccc12 15593463 KALXOKICRPTGEK-UHFFFAOYSA-N 331.481 5.139 0 40 EKAB CCN(C(=O)CC(C)C)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993011 RRNUUNWAOURTSX-QHCPKHFHSA-N 348.490 5.460 0 40 EKAB CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)O 63772289 MBMBGCFOFBJSGT-SDFXJYFBSA-N 328.496 6.549 0 40 EKAB in-vitro Fc1c(Cl)cccc1NC(=S)Nc1ccccc1C(F)(F)F 71326205 XJTPXLXPWVQBIN-UHFFFAOYSA-N 348.752 5.307 0 40 EKAB O=C1CC(C(F)(F)F)=Nc2ccccc2N1c1ccc(Cl)cc1 102505058 YLIJDKVDKUHYJT-UHFFFAOYSA-N 338.716 5.043 0 40 EKAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 196465392 ILXVITLQBAKEDS-LBPRGKRZSA-N 348.273 5.363 0 40 EKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc3c2CCCC3)c1 199720313 PSARQUQDHYSLOW-UHFFFAOYSA-N 338.451 5.342 0 40 EKAB CCOc1ccccc1NC(=S)N[C@H](CC(C)C)c1ccccc1 225492202 NYTGFGFSRTUTRU-GOSISDBHSA-N 342.508 5.159 0 40 EKAB COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1Cl 225535785 PHPOJVGFRIIXSV-UHFFFAOYSA-N 343.854 5.189 0 40 EKAB Cc1nc(Cl)c(NC(=O)Nc2cccc(Cl)c2)c(C)c1Cl 92439 RPQGFKGDPXRSMM-UHFFFAOYSA-N 344.629 5.303 0 40 EKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 278075 NVJGSGCNENBVHJ-WIYYLYMNSA-N 346.455 5.299 0 40 EKAB Cc1cc2n(n1)[C@H](c1ccccc1C(F)(F)F)Nc1c(C)cccc1-2 382409 VLAGXGOAEXOSDU-GOSISDBHSA-N 343.352 5.158 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 1462194 SYMQZHCFDPAIKS-KRXBUXKQSA-N 326.610 5.299 0 40 EKAB CCCCCCN(CCCCCC)C(=N)c1ccnc2ccccc12 1733648 YISMMPSEZVTBAS-UHFFFAOYSA-N 339.527 6.023 0 40 EKAB Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 1779853 ZIUVPKKFFRUYBF-XVNBXDOJSA-N 341.621 5.574 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)cc3)ccc21 2057727 LOQGTILMVGJCCF-UHFFFAOYSA-N 328.415 5.375 0 40 EKAB Fc1ccccc1-c1nc(-c2cccc(Cl)c2)c(-c2ccccc2)[nH]1 2309762 MJBRCSDAUWXCMY-UHFFFAOYSA-N 348.808 6.203 0 40 EKAB COc1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1 2686674 PWLULGMXABYAMN-UHFFFAOYSA-N 327.387 5.049 0 40 EKAB O=C(Nc1cccc2c1CCCC2)C(c1ccccc1)c1ccccc1 3058117 FTPXOHTWFDXDCS-UHFFFAOYSA-N 341.454 5.336 0 40 EKAB FC(F)(F)c1ccc(Cl)c(Nc2nc3ccc(Cl)cc3o2)c1 7986566 MTTPNLSYJNEDBA-UHFFFAOYSA-N 347.123 5.897 0 40 EKAB C[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 8167470 QEQUEWJQGQEHIO-MRXNPFEDSA-N 343.426 5.048 0 40 EKAB CCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 8227114 WWABZNKEEWZCFX-UHFFFAOYSA-N 325.839 5.182 0 40 EKAB Cc1cc2nc(SCc3ccc(Cl)cc3Cl)[nH]c2cc1C 19824768 DPPFDHRPUFAAMI-UHFFFAOYSA-N 337.275 5.779 0 40 EKAB CCNc1nnc(S[C@H](c2ccccc2)c2ccccc2C)s1 28189876 MRMUCNABMNMOGN-MRXNPFEDSA-N 341.505 5.160 0 40 EKAB c1ccc([C@@H]2N[C@@H](c3ccccc3)Oc3ccc4ccccc4c32)cc1 31716488 NBNWBPSBPMRDTE-BJKOFHAPSA-N 337.422 5.610 0 40 EKAB O=C(Nc1ccccc1Cl)c1cc(-c2cccc3ccccc23)[nH]n1 44838137 DYXAKQDIUZUQPH-UHFFFAOYSA-N 347.805 5.136 0 40 EKAB CCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OC(C)C)cc12 71973209 GABVJHBTVTZBOQ-UHFFFAOYSA-N 342.366 5.203 0 40 EKAB C[C@H](NC(=S)N[C@@H](C)c1ccc2ccccc2c1)c1ccccc1 84656628 VAPRIENJIICISE-HOTGVXAUSA-N 334.488 5.126 0 40 EKAB Clc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)cc1Cl 85345357 FCPWBOPWKPCMOT-UHFFFAOYSA-N 329.186 5.797 0 40 EKAB CCN(CC12CC3C[C@@H](CC[C@H](C3)C1)C2)C(=O)c1cccc(Cl)c1 101024456 ZEJNQNYMQJZRRZ-UJZKCHAJSA-N 345.914 5.409 0 40 EKAB Cc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1C 222681612 DGUDAEATLPHOQC-UHFFFAOYSA-N 333.884 5.468 0 40 EKAB Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(Cl)c1 227157433 OQQKVQDAJNPPCJ-UHFFFAOYSA-N 347.201 5.088 0 40 EKAB Cc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 408576288 RWMUXYYJHPQLCT-UHFFFAOYSA-N 333.456 5.540 0 40 EKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1 36125 RUWNLPDUHKOWFR-UHFFFAOYSA-N 333.456 5.148 0 40 EKAB CC(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl 188981 TUPNDETZZXRBJX-UHFFFAOYSA-N 328.799 5.230 0 40 EKAB O=c1oc2ccccc2cc1-c1csc(-c2ccccc2Cl)n1 424302 IABURBLYMZJCGQ-UHFFFAOYSA-N 339.803 5.237 0 40 EKAB CN(C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(C(F)(F)F)c1 1388015 IEHYALRCUSGEOZ-UHFFFAOYSA-N 348.151 5.289 0 40 EKAB Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 1802382 GMMDZGHGMAMEMV-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB Cc1ccc(Oc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2269995 RCUOVTYYNMAZGO-UHFFFAOYSA-N 346.817 6.051 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)C1(c2ccccc2)CCCC1 2741475 IHTCZHCCXTZBOM-UHFFFAOYSA-N 334.246 5.444 0 40 EKAB O=P(Nc1ccc(F)cc1)(Oc1ccccc1)Oc1ccccc1 3123385 ZBQCTLNTJGFPIW-UHFFFAOYSA-N 343.294 5.504 0 40 EKAB CC[C@H](OC(=O)c1ccccc1)C(C)(C)/C=C/[C@H]1CC=C(C)C1(C)C 3852077 YFVLNVDXVHNQCT-HEQKZDDYSA-N 340.507 6.197 0 40 EKAB CC1=NN(c2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)C1 4142644 PNOZERYJPLYCEF-QHCPKHFHSA-N 342.442 5.593 0 40 EKAB Cc1ccc([C@H](CCN[C@@H](C)c2cccs2)c2ccco2)cc1 4909792 JFDCWISCXVUYIG-WMZOPIPTSA-N 325.477 5.522 0 40 EKAB COc1cccc([C@H](Cc2ccccc2)Nc2ccccc2)c1OC 5929194 UVBXRYJMIGGBTK-FQEVSTJZSA-N 333.431 5.100 0 40 EKAB Clc1ccc(Cl)c(-c2ccc(CNCc3ccccc3)o2)c1 7524444 GXUMWJHZWPRGOT-UHFFFAOYSA-N 332.230 5.543 0 40 EKAB CC[C@@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CCCC4 12631819 HNOUTBYVQIYKPU-OAHLLOKOSA-N 347.527 6.357 0 40 EKAB Cc1ccc(F)cc1NC(=S)Nc1cccc(Cl)c1Cl 13840384 OCFIXDXBWBVPMJ-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCc1cccc(C)c1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14673848 ZVVLIWXDKIOWSP-UHFFFAOYSA-N 349.405 5.741 0 40 EKAB Clc1ccc(Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 20411708 ZAJXGNHFRXCKPS-UHFFFAOYSA-N 339.613 5.176 0 40 EKAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 20489646 VQPRNAVWUPBNBO-INIZCTEOSA-N 349.883 5.248 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 38771569 YDOJXXXHNNDYAD-XLIONFOSSA-N 341.520 5.379 0 40 EKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3C)c2c1 46085998 NQFNLVYZORVLMZ-UHFFFAOYSA-N 337.419 5.481 0 40 EKAB Cc1cc2ncn(-c3ccc(Br)cc3Cl)c2cc1C 95915877 NCVDRGDZRNZRLT-UHFFFAOYSA-N 335.632 5.058 0 40 EKAB Cc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 107027551 KBYPDJQZQVVKAL-UHFFFAOYSA-N 337.850 5.840 0 40 EKAB Clc1cc(Cl)cc(-c2nc3cc(-n4cccc4)ccc3o2)c1 216744530 MTXFNVNASHBGFK-UHFFFAOYSA-N 329.186 5.592 0 40 EKAB Clc1cc(Br)c2cccnc2c1OCc1ccccc1 225393861 YLFDGIHDJSIJEV-UHFFFAOYSA-N 348.627 5.230 0 40 EKAB CC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(C)cc1C 225713677 UZARWNXCBJREKC-INIZCTEOSA-N 332.900 5.395 0 40 EKAB O=C(CCC1CCCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F 575360882 OJSXHSRXSRTWIF-UHFFFAOYSA-N 338.291 5.877 0 40 EKAB COc1ccccc1Nc1ncnc2scc(-c3ccccc3)c12 221364 URMAAPVKAOENDR-UHFFFAOYSA-N 333.416 5.111 0 40 EKAB O=C(c1ccc(Cl)c(Cl)c1)c1cnc(-c2ccccc2)s1 1395941 HUOBNSQVOLUWCE-UHFFFAOYSA-N 334.227 5.348 0 40 EKAB CCOc1nc(-c2ccccc2)ccc1-c1noc(C2CCCCC2)n1 2441399 ULVDBGXOEHCTLJ-UHFFFAOYSA-N 349.434 5.245 0 40 EKAB O=C(CCNc1ccc(OCc2ccccc2)cc1)c1cccs1 4622918 DHJMYCRDNRJNIR-UHFFFAOYSA-N 337.444 5.012 0 40 EKAB CCCCN(CCCC)CCCCCCN(CCCC)CCCC 4975912 UPPIBFVZIFKMFO-UHFFFAOYSA-N 340.640 6.351 0 40 EKAB c1ccc(C(Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)cc1 6035383 WWEQNEORLKAJSI-UHFFFAOYSA-N 349.484 5.415 0 40 EKAB CCOc1ccccc1OCCCC(=O)Nc1cccc2ccccc12 6618672 JOYIJNAOCKPZBY-UHFFFAOYSA-N 349.430 5.036 0 40 EKAB O=C(Nc1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1 6787274 USWHUUMLABDPFL-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB Clc1ccc(OCc2ccccc2)c(CNCc2cccs2)c1 16480582 JJHJLMXJLFPMRZ-UHFFFAOYSA-N 343.879 5.270 0 40 EKAB Fc1ccccc1-c1nnc([C@@H](Nc2ccccc2)c2ccccc2)o1 20509751 OJHLBIPVVWEMTK-IBGZPJMESA-N 345.377 5.077 0 40 EKAB Cc1c(C(=O)Nc2cnc3ccccc3c2)sc2cccc(F)c12 25533499 RROQQVVPGYUPLU-UHFFFAOYSA-N 336.391 5.149 0 40 EKAB COc1ccc(CNc2ccccc2SCC(F)(F)F)cc1F 97464979 FYMYCROQLFJMEL-UHFFFAOYSA-N 345.361 5.101 0 40 EKAB COc1ccc([C@@H](CC(C)C)NC(=O)Nc2cccc(Cl)c2)cc1 222630533 LPUSEITZXRYLJL-GOSISDBHSA-N 346.858 5.258 0 40 EKAB CC(C)(C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 224012005 NNVLRMGGDBTSKS-UHFFFAOYSA-N 329.443 6.385 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccccc1C 225755991 PPIRYLVLOKCQIJ-LJQANCHMSA-N 326.509 5.556 0 40 EKAB CCOc1ccc(NCc2ccc(OCc3ccc(C)cc3)cc2)cc1 409118825 QGMXGINXIFPCFH-UHFFFAOYSA-N 347.458 5.585 0 40 EKAB CCC(=O)N1c2c(C)cc(C)cc2-c2c(ssc2=S)C1(C)C 52814 DPZHJTKYCNXNLT-UHFFFAOYSA-N 349.546 5.815 0 40 EKAB Cc1ccc(OCc2nc3ccccc3n2Cc2cccc(C)c2)cc1 99470 KQKJZJYDHLAJOQ-UHFFFAOYSA-N 342.442 5.280 0 40 EKAB NCCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 1629230 OVBAZEUSCRGDKY-QURGRASLSA-N 349.861 5.180 0 40 EKAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1937095 TWLVDZOCPPZSCI-PKNBQFBNSA-N 348.273 5.770 0 40 EKAB COc1ccc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 4748904 VIXCLFBDNBUENV-UHFFFAOYSA-N 332.325 5.314 0 40 EKAB COc1ccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)cc1 5559911 WLYIDEADVLQJIL-UHFFFAOYSA-N 331.371 5.155 0 40 EKAB c1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)cc1 7095079 CRDYYRZFYCIKPX-UHFFFAOYSA-N 340.451 5.966 0 40 EKAB COc1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1 7684552 QVURDNLHEWMNIW-UHFFFAOYSA-N 349.455 5.240 0 40 EKAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1CCc1ccccc1 13688379 YKSNQOWEINAUPV-UHFFFAOYSA-N 337.369 5.002 0 40 EKAB Clc1ccc(COc2ccc(CNC3CCCCCC3)cc2)cc1 16401547 QWZPZFFVTNCAPA-UHFFFAOYSA-N 343.898 5.731 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Cl)cc1 21130203 WQNCYAURNPMLHS-ZIAGYGMSSA-N 330.859 5.293 0 40 EKAB O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@@H]1c1cccs1 29797308 VGMIAWIXWPPMFV-CYBMUJFWSA-N 331.824 5.125 0 40 EKAB Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1ccc(F)cc1 58168074 CRNRSCVEHBFHSU-HSZRJFAPSA-N 332.484 5.189 0 40 EKAB c1ccc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c1 95093269 DSISFFIKRUIPCD-UHFFFAOYSA-N 346.558 6.622 0 40 EKAB CCOc1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 104583447 KOXRZHDZFMOEBP-LDEVPTQISA-N 327.468 5.020 0 40 EKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224133823 JAGICTJYNHXOOV-OAHLLOKOSA-N 345.398 5.300 0 40 EKAB O=C(Cc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 225436227 RWNYSDMURHITDD-UHFFFAOYSA-N 348.151 5.193 0 40 EKAB CC[C@H](C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359213 VHAHJOYHIXSNFM-SFHVURJKSA-N 329.443 6.385 0 40 EKAB FC(F)(F)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c1 584904517 HUHSUGMGRPHFGH-UHFFFAOYSA-N 328.293 5.509 0 40 EKAB Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 260345 KDYBSWLNWNGADI-UHFFFAOYSA-N 346.814 5.163 0 40 EKAB Cc1ccc(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)cc1 427566 ATKPIZQFBDDTBY-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB O=C(c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 1665276 HRBHJNWLLUWBRA-SFHVURJKSA-N 348.273 5.403 0 40 EKAB O=C(c1cccc(CN2CCCCC2)c1)c1cccc(Cl)c1Cl 2515029 XCEFCQPNEYFTAJ-UHFFFAOYSA-N 348.273 5.210 0 40 EKAB O=C(NCCC1=CCCCC1)c1ccccc1CCc1ccccc1 2880909 NSXGXWPYMFCAGZ-UHFFFAOYSA-N 333.475 5.092 0 40 EKAB Oc1ccccc1C1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1 4122080 URACXQRCZUVJBD-UHFFFAOYSA-N 346.817 5.691 0 40 EKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 4173405 GBGBZODHBDYVBP-JOCHJYFZSA-N 328.415 5.051 0 40 EKAB Cc1cccc(Oc2ccc(NC(=O)CCc3ccccc3)cc2)c1 4690864 YZVUNWRLUGXJFQ-UHFFFAOYSA-N 331.415 5.359 0 40 EKAB C[C@@H](CN(CCc1ccccc1)Cc1ccccc1)c1ccccc1 4695088 VSCYCHSMGVRSAR-NRFANRHFSA-N 329.487 5.535 0 40 EKAB COc1ccc(CN2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 4698534 GLSWWNUHYZLVAG-HSZRJFAPSA-N 342.442 5.047 0 40 EKAB Cc1c([C@H]2[C@@H](CCN)C2(C)C)c2ccccc2n1Cc1ccccc1 5484714 AWKVKJBLCLOXEC-DENIHFKCSA-N 332.491 5.086 0 40 EKAB O[C@@H]1c2cccn2-c2cc(Cl)ccc2S[C@H]1c1ccccc1 5593654 BOKTVCCWYWMDJW-MSOLQXFVSA-N 327.836 5.011 0 40 EKAB O=Cc1cc(Br)ccc1Nc1cccc(C(F)(F)F)c1 8703712 ADPXSQASVXLHBQ-UHFFFAOYSA-N 344.130 5.024 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 10334356 PNPSXCFGBDHXKR-UHFFFAOYSA-N 331.415 5.359 0 40 EKAB Cc1cccc(NC(=O)CNc2ccccc2-c2ccccc2)c1C 11618619 SMPOYRIDDAGJPD-UHFFFAOYSA-N 330.431 5.021 0 40 EKAB C[C@H](NC(=O)N[C@H](C)c1cccs1)c1ccc(Cl)cc1Cl 12981169 UYAQBPCNDNRBFI-VHSXEESVSA-N 343.279 5.176 0 40 EKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 13708898 QRKDPIYUABNJNS-INIZCTEOSA-N 341.410 5.399 0 40 EKAB S=C(NCc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 13815164 MDGYSTSESLLDBX-UHFFFAOYSA-N 345.682 5.133 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14665185 LLICLUDCORYWEE-INIZCTEOSA-N 325.452 5.007 0 40 EKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C 20460317 YTCLQPIOKLCCAM-UGSOOPFHSA-N 345.895 5.189 0 40 EKAB c1ccc(Cn2ccnc2SCc2cccc3ccccc23)cc1 59474594 QSHOODVJBOXRGK-UHFFFAOYSA-N 330.456 5.377 0 40 EKAB Fc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 67321925 IQYZIOHNBDGYBE-UHFFFAOYSA-N 349.228 5.455 0 40 EKAB FC(F)(F)Oc1cccc(Nc2nc3ccc(Cl)cc3s2)c1 199721707 SKUNJHXHAKKITG-UHFFFAOYSA-N 344.745 5.592 0 40 EKAB COc1ccc([C@H](CC(C)C)NC(=O)Nc2cccc(Cl)c2)cc1 222630595 LPUSEITZXRYLJL-SFHVURJKSA-N 346.858 5.258 0 40 EKAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 222955486 OQGCNQBHCMHNIJ-IBGZPJMESA-N 339.479 5.224 0 40 EKAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 223726216 KEMLJZNXVJUHAU-HSZRJFAPSA-N 343.470 5.440 0 40 EKAB O=C(O)c1cccc(-c2cccc(Cl)c2)c1OCc1ccccc1 257220446 DKWIGYPSMSWLLB-UHFFFAOYSA-N 338.790 5.284 0 40 EKAB C/C=C1\CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238426 SKSOMRHTXHIGIB-GNXLLTMDSA-N 342.523 5.827 0 40 EKAB O=C(Nc1ccc2ccccc2c1)c1sc2ccccc2c1Cl 194025 SNJPJWAWYJCHAI-UHFFFAOYSA-N 337.831 5.960 0 40 EKAB Cc1ccc(NC(=O)c2cc3sc4ccccc4c3s2)cc1C 522106 JENIVAGUAXCENQ-UHFFFAOYSA-N 337.469 5.985 0 40 EKAB CCc1cccc(CC)c1NC(=O)CCSc1ccc(C)cc1 555107 ZJXXXDWFLFHTFR-UHFFFAOYSA-N 327.493 5.241 0 40 EKAB CC1CCN(C(=S)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 1007534 IKKMZTKCIOMSGQ-UHFFFAOYSA-N 347.568 5.395 0 40 EKAB O=C(Nc1cccc(F)c1)c1ccc(CSc2ccccc2)cc1 1094392 BTLMVIJJTHBJEJ-UHFFFAOYSA-N 337.419 5.370 0 40 EKAB Clc1ccc(Oc2nnc(Cc3ccccc3)c3ccccc23)cc1 1393463 QJNKZDOVNGVPOU-UHFFFAOYSA-N 346.817 5.666 0 40 EKAB CCCC[C@@H](C)C(=O)C[C@@H](SCC)c1ccc(Cl)c(Cl)c1 1570345 NPRSMUDQTFUNGZ-SJKOYZFVSA-N 347.351 6.573 0 40 EKAB Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 2521618 RKUAZJIXKHPFRK-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB in-vitro O=C(CSCc1ccc(Cl)cc1)Nc1cccc2ccccc12 3109500 MNPYKPXUROQHFO-UHFFFAOYSA-N 341.863 5.365 0 40 EKAB C[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1ccc(F)cc1 3429305 LENIUSLZPYXUEY-AWEZNQCLSA-N 344.393 5.004 0 40 EKAB CC(C)CC[C@H](CCN1Cc2ccccc2C1)[C@H]1CCOC(C)(C)C1 4090130 USBHRYGJIWUWPF-UXHICEINSA-N 343.555 5.650 0 40 EKAB biogenic Cc1cc(=O)oc2c(C)c(OCc3c(Cl)cccc3Cl)ccc12 5546458 VUBMMOADPSCZCS-UHFFFAOYSA-N 349.213 5.296 0 40 EKAB Fc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 6393294 NROKSRPWSPTLAA-LJQANCHMSA-N 339.460 6.245 0 40 EKAB CSc1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10331271 VFXSLVMCTCMOEY-UHFFFAOYSA-N 327.493 5.277 0 40 EKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3ccccc3)n2)cc1 17071033 BMIACWRPVMWMHT-UHFFFAOYSA-N 338.454 5.882 0 40 EKAB c1ccc(COc2ccc3ccccc3c2CNC2CCCC2)cc1 22074235 IYLFABUOYOULTD-UHFFFAOYSA-N 331.459 5.451 0 40 EKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](CC)c1ccccc1 59351719 YKZWIDFKDRLUQT-SFTDATJTSA-N 347.458 5.265 0 40 EKAB Cc1cccc(Cl)c1NC(=S)Nc1ccc(F)cc1Cl 71761751 OQIALBQISHEKPG-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB C[C@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C1CC1 84636389 RDIBNAZYKCIBDE-ZETCQYMHSA-N 347.789 5.102 0 40 EKAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 98086972 HLTRCTOQJUTUOF-UHFFFAOYSA-N 344.842 5.029 0 40 EKAB CCCC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223227151 SSDUNMVBIARJPP-GUYCJALGSA-N 337.891 5.164 0 40 EKAB CCCC[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3)CC2)CC1 248265323 NZXZINXFUSKTPH-POSCCBCBSA-N 334.494 7.235 0 40 EKAB CCCC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260616297 HYZPUTAQQSWGNU-AEFFLSMTSA-N 331.500 5.127 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 505813 BVMDGLYORMRGAS-INIZCTEOSA-N 339.479 5.515 0 40 EKAB Fc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 520751 OHKCNXIXAPDUJZ-UHFFFAOYSA-N 333.341 5.319 0 40 EKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(-c2ccccc2)cc1 2755683 CLTWQRLTBHXXFU-INIZCTEOSA-N 345.417 5.474 0 40 EKAB CCc1ccc(Cl)c(CC)c1NC(=O)C[C@@H](C)c1ccccc1 3444787 KBOUCLHLYAZJJE-CQSZACIVSA-N 329.871 5.597 0 40 EKAB O=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C=O)o4)cc3)cc2)o1 6242581 CMSDPFCGMHFOFB-UHFFFAOYSA-N 342.350 5.499 0 40 EKAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2c(F)cccc2Cl)cc1 7735215 SXDUXPZTLBCALB-CYBMUJFWSA-N 333.834 5.169 0 40 EKAB Cc1ccc(-c2onc(C)c2C(=O)Nc2cc(Cl)ccc2C)cc1 35672327 MFCFASBEGPAKRZ-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 44904693 MNEJYOCDJSKSKL-CQSZACIVSA-N 331.843 5.178 0 40 EKAB c1ccc2cc(-c3nc(-c4ccc5c(c4)CCCC5)cs3)ccc2c1 84847030 ISODJAPESPIWDI-UHFFFAOYSA-N 341.479 6.509 0 40 EKAB Cc1nc(C[S@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)sc1C 87003554 RZFYWYHHLLIFKS-WVDJIFEKSA-N 348.320 5.077 0 40 EKAB C[C@@H]1CC2=Nc3nc4ccccc4n3[C@@H](c3ccc(F)cc3)C2=C(O)C1 102602535 LIZRWFOXUYWHSR-ODXCJYRJSA-N 347.393 5.093 0 40 EKAB Cc1ccc(Cl)cc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225077053 ZOKFWUSDCNEJRD-SFHVURJKSA-N 346.854 5.021 0 40 EKAB Cc1ccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1C 118379 HUARECSGEGXKNC-UHFFFAOYSA-N 329.610 5.483 0 40 EKAB Cc1ccc(C)c(-c2cnc(NC(=O)c3ccc(Cl)cc3)s2)c1 357886 BDVSNGDYPQPKEX-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB O=c1oc2ccc(Cl)cc2cc1-c1csc(-c2ccccc2)n1 496258 BPSILCJASFPLDG-UHFFFAOYSA-N 339.803 5.237 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 568893 GMXOGGPEYWJJEI-CYBMUJFWSA-N 331.843 5.179 0 40 EKAB COc1ccc([C@@H](C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1572798 QGEDAWROPAYZFD-OAHLLOKOSA-N 340.507 6.148 0 40 EKAB Cc1nc(Nc2ccc(C)c(Cl)c2)c2c3c(sc2n1)CCCC3 2234569 WPDNNXBVGIBSNV-UHFFFAOYSA-N 343.883 5.584 0 40 EKAB CCCCN(CCCC)c1nc(-c2ccncc2)nc2ccccc12 2309325 OWFJNGOIGZRDRD-UHFFFAOYSA-N 334.467 5.098 0 40 EKAB Cc1cccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 3139958 IAOXIFSUSZDNOI-UHFFFAOYSA-N 344.439 5.524 0 40 EKAB CC[C@H](OC(=O)c1ccccc1)C(C)(C)/C=C/[C@@H]1CC=C(C)C1(C)C 3852073 YFVLNVDXVHNQCT-LOVRKWTRSA-N 340.507 6.197 0 40 EKAB CC(=O)CC/C=C(/C)CC[C@@H]1[C@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C 5528110 QKSODSWUZYYQJJ-ZAXMGMAASA-N 332.572 6.961 0 40 EKAB biogenic Oc1cccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)c1 7847834 YWCXRLKNJZCIOW-UHFFFAOYSA-N 349.792 6.067 0 40 EKAB COc1ccc([C@@H](Nc2ccccc2)Sc2ccc(C)cc2)cc1 8627242 GEIJCULFODZECO-NRFANRHFSA-N 335.472 5.907 0 40 EKAB Nc1cc(-c2nc3cc(Cl)cc(Cl)c3o2)c(Cl)cc1Cl 8732289 NLYJTWMJVWMTHC-UHFFFAOYSA-N 348.016 5.691 0 40 EKAB Cc1cnc(NC(=O)c2cc3sc4ccccc4c3s2)s1 10626204 ADOHZSOTJOIFNQ-UHFFFAOYSA-N 330.459 5.133 0 40 EKAB Clc1cccc(-c2cnc(CN3CCC[C@H]3c3cccs3)o2)c1 20947948 CTNRYWBGUVGQOQ-HNNXBMFYSA-N 344.867 5.394 0 40 EKAB O=C(CCc1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 222668224 ALDZDQPHSFMUMP-UHFFFAOYSA-N 344.241 5.718 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 222950603 MFWOYGJEFGBHLE-HNNXBMFYSA-N 345.870 5.486 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 225718021 WRZCJPRIEHYJPR-ROUUACIJSA-N 339.479 5.072 0 40 EKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2ccccc2c1 225757898 FVWLSAMTDPEDSY-MRXNPFEDSA-N 345.442 5.125 0 40 EKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccccc1 409111661 BKPYAWPVDKBZDW-UHFFFAOYSA-N 347.458 5.585 0 40 EKAB CC[C@@H](C(=O)N[C@H](C)Cc1csc2ccccc12)c1ccccc1 575621731 SBVCVSWYDAEEMQ-CRAIPNDOSA-N 337.488 5.142 0 40 EKAB Cc1ccnc(N[C@H](c2cccs2)c2c(C)[nH]c3ccccc23)c1 72129 FCEQYQWAOQUKPG-HXUWFJFHSA-N 333.460 5.443 0 40 EKAB Cc1ccn2c(NC3CCCCC3)c(-c3ccc(Cl)cc3)nc2c1 319905 OHVJZNRVXCXTBD-UHFFFAOYSA-N 339.870 5.708 0 40 EKAB CN1CCC[C@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 896472 YNNUSGIPVFPVBX-LEWJYISDSA-N 343.898 5.104 0 40 EKAB biogenic CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(O)c1ccccc12 1461274 DCXUVNSMZUCUSK-UHFFFAOYSA-N 329.399 5.309 0 40 EKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)(C)CC(C)(C)C 2561586 RMPSPHQSSLPRLN-UHFFFAOYSA-N 348.874 5.248 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1ccc2noc(-c3ccccc3)c2c1 5034744 VFAAPRRMVXGBHZ-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB O=C(OCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 6321073 DKWQQQNFSKVAII-UHFFFAOYSA-N 339.262 5.253 0 40 EKAB Cc1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1C 6966526 FACFXDXPZUENOP-YDZHTSKRSA-N 346.430 5.160 0 40 EKAB Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1C(F)(F)F 14630430 HFBFZUGFPXJOOY-UHFFFAOYSA-N 337.728 5.887 0 40 EKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 20112146 CVSHGMDMFFXQKN-LBSLPOPVSA-N 331.415 5.006 0 40 EKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NC1CCCCCC1 30756029 LOWQPTVLCLJEBC-UHFFFAOYSA-N 346.323 5.066 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1OC(F)(F)F 95917445 GHZIJNCHQMFTNE-UHFFFAOYSA-N 342.316 5.483 0 40 EKAB Cc1cccc([C@H](C)[S@@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)c1 97014827 GFVLRAOCKANJDM-YWTKSJFSSA-N 339.460 5.221 0 40 EKAB CCOc1ccc2ccccc2c1CNc1ccc(Cl)cc1Cl 106972041 HBDBBUCPQYNAHS-UHFFFAOYSA-N 346.257 6.157 0 40 EKAB Cc1ccc([C@H](NC(=O)Cc2ccccc2Cl)c2ccccc2)cc1 225437833 MTAMKSCCRCGOGQ-JOCHJYFZSA-N 349.861 5.097 0 40 EKAB CCC(C)(C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225644307 KBAMHSNSVNMZPA-UHFFFAOYSA-N 344.549 5.454 0 40 EKAB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@@H](C)C1 225661388 XNKYUVHRAAEGAB-DYESRHJHSA-N 347.499 5.035 0 40 EKAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C 225735886 HJCAFEJNGLKLJH-NRFANRHFSA-N 349.515 5.344 0 40 EKAB COC(=O)c1c(CCc2cccc3ccccc23)cccc1OC(C)C 613844454 NIVWMJUPVGARGA-UHFFFAOYSA-N 348.442 5.199 0 40 EKAB COc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ccccc2S1 97126 REJYYNKPBRGDAK-JOCHJYFZSA-N 345.467 6.053 0 40 EKAB CCOc1ccc(N2C(=O)CSC23CCC(C(C)(C)C)CC3)cc1 107527 TZICURXXIQHUEE-UHFFFAOYSA-N 347.524 5.098 0 40 EKAB CCOP(=O)(OCC)[C@H](Nc1ccc(C)cc1)c1ccccc1 1758476 LNRXYBLFZVYDPT-SFHVURJKSA-N 333.368 5.372 0 40 EKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl 3566761 YQADVYVTBHUMKX-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CCCCCCC1(/C=C\c2ccc(Cl)c(Cl)c2)OCCO1 5431922 FRZRNKRJFAQXCX-NTMALXAHSA-N 329.267 5.720 0 40 EKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Oc1cccc(F)c1 14200489 KRTBJSVQBVIBNZ-UHFFFAOYSA-N 331.346 5.127 0 40 EKAB C[C@@H](Oc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 14201625 UZFURKBRPIQUSR-SNVBAGLBSA-N 335.190 5.183 0 40 EKAB Cc1ccc(C)c(Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c1 15881530 GOEFADWTDRQEKI-UHFFFAOYSA-N 345.446 5.480 0 40 EKAB Fc1cc(F)cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 17515646 CHQPNKKZPDDJNX-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)cc(C)cc1C 20044179 XJKRZHKJHJMTEH-GOSISDBHSA-N 325.452 5.025 0 40 EKAB COc1c(N)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 26509186 NEFRYJOJVOEKPG-UHFFFAOYSA-N 343.597 5.046 0 40 EKAB CC(C)c1nc(COc2ccc(C(=O)c3ccccc3)cc2)cs1 31647454 QGTANEBMGWRGEY-UHFFFAOYSA-N 337.444 5.077 0 40 EKAB Cc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1 33027680 CCUSRWSNAWRWJO-UHFFFAOYSA-N 333.431 5.443 0 40 EKAB CCC[C@@H](NC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 58218288 DFLJMIQAGNNHMX-CYBMUJFWSA-N 327.371 5.038 0 40 EKAB Clc1ccc2oc(-c3ccc(NCc4ccccc4)cc3)nc2c1 70461602 NQBOHDCNOZISPN-UHFFFAOYSA-N 334.806 5.760 0 40 EKAB Fc1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 107028237 JZOPZOMJPLDETO-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB Clc1cc(Cl)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 216915960 STZXXIDRNILSNP-UHFFFAOYSA-N 332.017 5.844 0 40 EKAB CCCCCCNCc1nc2ccccc2c(O)c1Cc1ccccc1 217438080 HXXWAMVEJFRVSL-UHFFFAOYSA-N 348.490 5.201 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219314352 CXIRPWGVQDSUQA-PMACEKPBSA-N 339.479 5.037 0 40 EKAB CCc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 225658927 CKFDFTGHLZUVRT-INIZCTEOSA-N 340.536 5.292 0 40 EKAB CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409058029 RQMJKMBKTLCALN-DHDCSXOGSA-N 347.823 5.045 0 40 EKAB Clc1ccc(-c2nc(-c3cc4cc(Cl)ccc4o3)cs2)cc1 145517 CHLLBIXWRSMHNU-UHFFFAOYSA-N 346.238 6.530 0 40 EKAB Cc1cccc(C)c1NC(=O)c1c(-c2ccccc2Cl)noc1C 196245 APEGDYGFSZYFHI-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB CCc1cc(=O)oc2c(C)c(OC/C=C(\C)CCC=C(C)C)ccc12 2134496 WKUWGOFUKNHFDG-FOWTUZBSSA-N 340.463 5.735 0 40 EKAB biogenic COc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1 3107441 GJNVYMIHCMKXKU-UHFFFAOYSA-N 339.232 5.792 0 40 EKAB CCCC[C@@H](CC)COCCNCCOC[C@H](CC)CCCC 5298568 NLFVPFWRZJSSOV-WOJBJXKFSA-N 329.569 5.042 0 40 EKAB Cc1cccc(Cl)c1NC(=S)Nc1cccc(C(F)(F)F)c1 5579602 USFLIPQURZXFNW-UHFFFAOYSA-N 344.789 5.476 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 6308341 SUWPLGKJJSFWEP-AWEZNQCLSA-N 347.911 5.974 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(C)c(C)c3)cc2)cc1 6479733 OVPYIORXZUCCRI-UHFFFAOYSA-N 346.426 5.410 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)o2)cc1C 6846290 CMQQPMXCRJQCKP-UHFFFAOYSA-N 333.431 5.939 0 40 EKAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2ccccc2F)o1 8304991 NMKQBQSFFCRBPB-UHFFFAOYSA-N 349.814 5.073 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1csc2c1CCCC2 9459905 KSRKPBGPVUVJRU-UHFFFAOYSA-N 340.473 5.003 0 40 EKAB Cc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 10360042 JDJGHHUOTZLMMO-UHFFFAOYSA-N 343.470 5.157 0 40 EKAB Cc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1Cl 21707137 SSUPXFZVQSSPDD-UHFFFAOYSA-N 337.806 5.693 0 40 EKAB Cc1cccc(N(Cc2ccccc2)C(=O)/C=C/c2csc(C)n2)c1 26904515 HYCFIZDROIICKO-VAWYXSNFSA-N 348.471 5.007 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=C5C=CC=C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 30728808 OYOVFIJVSKWVLT-LQDRYOBXSA-N 338.535 5.813 0 40 EKAB biogenic,in-vitro CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 30751353 VUZLPPSNHJNYQL-KAMXEHQASA-N 334.246 5.274 0 40 EKAB COc1ccc(/C=C2/CCCC3=C2CO[C@H]3c2ccc(OC)cc2)cc1 51330049 WYRYRDDQXIQAGU-JRTNDBBKSA-N 348.442 5.339 0 40 EKAB CC(C)c1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)cc1 225046483 KUOGOUYLWOIVBL-OAQYLSRUSA-N 334.415 5.038 0 40 EKAB CCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225797900 CUXJUMKIBPBZJE-VFNWGFHPSA-N 343.467 5.161 0 40 EKAB CC(C)(c1cccs1)c1ccc(C(C)(C)c2cccs2)s1 339577 XAFLRUXVNMPNHQ-UHFFFAOYSA-N 332.559 6.523 0 40 EKAB CC(C)CCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 1738935 IPZBKRZCXMWIMK-LJQANCHMSA-N 348.534 6.433 0 40 EKAB CCCCc1cc(=O)oc2c(C)c3oc(C)c(-c4ccccc4)c3cc12 2119181 UFKGXVCINCJZNW-UHFFFAOYSA-N 346.426 6.166 0 40 EKAB biogenic CCCCc1cc(=O)oc2c(C)c(OCc3ccc(C)cc3)ccc12 3245580 JCMFEUSUUXLVNS-UHFFFAOYSA-N 336.431 5.331 0 40 EKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1F 4560688 XKWLNHBSPDDXEF-UHFFFAOYSA-N 349.449 5.546 0 40 EKAB C[C@@]1(c2ccccc2)OC[C@H](Cn2c3ccccc3c3ccccc32)O1 5336327 RYBITZWRYHVUHB-FDDCHVKYSA-N 343.426 5.083 0 40 EKAB O=C(Nc1ccccc1Cl)c1sc2cc(F)ccc2c1Cl 14240371 NCKLYLATGQMTIU-UHFFFAOYSA-N 340.206 5.600 0 40 EKAB Cc1ccc(-c2cn(-c3ccc(Br)cc3)c(=S)o2)cc1 16739932 VBPKPTRHIUICEF-UHFFFAOYSA-N 346.249 5.538 0 40 EKAB Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C 16780645 CJLHHMYPVNOFLB-UHFFFAOYSA-N 343.492 5.152 0 40 EKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccccc3)c1-2 18176781 YGIWLTIGQLWCCW-ZZEZOPTASA-N 338.501 5.678 0 40 EKAB COc1c(CCCN(C(C)C)C(C)C)cc(C)cc1-c1ccccc1 21297664 MXAYZECCMUWCMN-UHFFFAOYSA-N 339.523 5.722 0 40 EKAB Fc1cc(CNC(c2ccccc2)c2ccccc2)c2ncccc2c1 32825156 JLZAWKXMCUUXTF-UHFFFAOYSA-N 342.417 5.253 0 40 EKAB Cc1noc(C)c1CN(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 59578080 KZJTUJXMTCVUGZ-LBPRGKRZSA-N 338.373 5.036 0 40 EKAB CCCC(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 95349031 CYMRSAUGXYIPKP-UHFFFAOYSA-N 334.491 5.339 0 40 EKAB Fc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 107027008 CHOMQWQUTJBDRB-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCC[C@H](C)Oc1ccc2c(c1)c(C=O)c(C)n2CCc1ccccc1 217772388 OWODFQFZNJVVLY-KRWDZBQOSA-N 349.474 5.572 0 40 EKAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223064216 NNWQMCPKQIVUQP-HXUWFJFHSA-N 341.882 5.029 0 40 EKAB C[C@@H](CNC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 224019930 LPIPSGNYJNUIDH-HNNXBMFYSA-N 329.399 5.120 0 40 EKAB Cc1ccccc1C1(NC(=S)Nc2ccccc2Cl)CCCC1 225843928 UQPJXKWJKHMVTE-UHFFFAOYSA-N 344.911 5.404 0 40 EKAB Cc1cc(C)cc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 408778438 FXTZHNQSSBINDU-UHFFFAOYSA-N 347.483 5.848 0 40 EKAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(Cl)cc1 194232 PNTGAQSILFVLQA-UHFFFAOYSA-N 348.789 5.401 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 267356 QDHWVWIYKBCEIX-BUHFOSPRSA-N 340.382 5.147 0 40 EKAB Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2ccccc2)cc1 562854 WABUGBDKCSNHPM-QFIPXVFZSA-N 347.483 5.684 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 568972 NCRKPDMZJKWEKR-MRXNPFEDSA-N 339.479 5.515 0 40 EKAB Cc1c(-c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1C(=O)O 1702437 KFAGTAGKDMOLNV-UHFFFAOYSA-N 332.186 5.215 0 40 EKAB CCOC(=O)c1cc(-c2ccc(Cl)c(C)c2)[nH]c1-c1ccccc1 2549950 GVAMBIKVSHQFKW-UHFFFAOYSA-N 339.822 5.487 0 40 EKAB CCCCCCc1cc2cc(-c3nc(C)cs3)c(=O)oc2cc1O 3108091 IVFMNRPWSSLYHN-UHFFFAOYSA-N 343.448 5.053 0 40 EKAB CC1=CC(C)(C)Nc2ccc([C@]3(C)CC(C)(C)Nc4ccccc43)cc21 3123703 KHGPBNFUEFXBRH-DEOSSOPVSA-N 346.518 6.194 0 40 EKAB Cc1ccccc1CSc1nnc(-c2ccco2)n1-c1ccccc1 3364672 NPIQUDHJLGJKGN-UHFFFAOYSA-N 347.443 5.128 0 40 EKAB Cc1nc2ccccn2c1-c1csc(Nc2ccc(Cl)cc2)n1 4125592 DTNYTFXIDSRFJY-UHFFFAOYSA-N 340.839 5.163 0 40 EKAB CC(C)(C)c1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1 5249178 BDSHOMAOQNMDGX-UHFFFAOYSA-N 331.872 5.201 0 40 EKAB CC(C)CC[C@@H](CCNC1CCC(C)CC1)[C@H]1CCOC(C)(C)C1 5323785 CXPICRZSLAMVRH-OMYXNUHHSA-N 337.592 5.802 0 40 EKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(CSC)cc1 5509534 VAMWHRGDPDCSQC-UHFFFAOYSA-N 343.492 5.108 0 40 EKAB Cc1ccc(C)c(-c2csc(NC(=O)c3sccc3C)n2)c1 7723607 KBICKPYMFFBWJU-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc3ccc(C)nc23)cc1 8606326 JCFBLSBRIKSNNA-OAHLLOKOSA-N 348.446 5.074 0 40 EKAB CC(=O)N1CCc2cc(-c3nc(-c4cccc(C)c4)sc3C)ccc21 12979145 HRJJVGZYCOFSEA-UHFFFAOYSA-N 348.471 5.003 0 40 EKAB Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl 14258239 FJXGFSPAXAFFBD-UHFFFAOYSA-N 330.214 5.707 0 40 EKAB O=C(CCSc1ccccc1)NC(c1ccccc1)c1ccccc1 15655137 QHVKTXLPALDUAF-UHFFFAOYSA-N 347.483 5.075 0 40 EKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1C 22538019 KVNYZQJNVMRGAT-ZDUSSCGKSA-N 336.262 5.410 0 40 EKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)[C@H](C)c1cccs1 48340091 MOUJSVDNRQRJQM-GFCCVEGCSA-N 344.867 5.091 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 69441091 MJXBEALCCAKSCJ-FPOVZHCZSA-N 348.490 5.321 0 40 EKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc2ncccc2c1 72221817 LILMBLSVECLSFD-OAQYLSRUSA-N 346.430 5.099 0 40 EKAB CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccccc3OCc3ccccc3)[C@H]1[C@@H]2C 100314196 DUWXMXJIRAGQTJ-UWSULXETSA-N 348.486 5.801 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1ccccc1 224474407 TUJNYOKGOZBJFD-KBXCAEBGSA-N 347.911 5.131 0 40 EKAB Cc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225841406 GSPYLRMUCZDDEG-UHFFFAOYSA-N 338.520 5.227 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](c2ccccc2)C1 263498 MVZPGQMXAAHSIF-CYBMUJFWSA-N 335.234 5.015 0 40 EKAB Cc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3C)n2)c1C 367929 KTVNEFQGIGBZAL-UHFFFAOYSA-N 336.414 5.337 0 40 EKAB C[P@@](=O)(Oc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)F 3176985 ZJZCLKSFPMLRDW-RCDICMHDSA-N 330.242 5.209 0 40 EKAB CCCSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 3283336 GPERGMKPEYOXSX-UHFFFAOYSA-N 348.475 5.226 0 40 EKAB Clc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 4336646 XPFDBXDITJUQMV-OAQYLSRUSA-N 332.834 5.696 0 40 EKAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)o1 4539845 FZAXODRQJOVCAE-MFKMUULPSA-N 338.234 5.281 0 40 EKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 4666366 KYFBTKOBSYQJBJ-QZTJIDSGSA-N 337.507 6.141 0 40 EKAB Cc1ccc(-c2coc3c(C)c4oc(=O)c(C(C)C)c(C)c4cc23)cc1 5235598 KMGFUKKCBAAABN-UHFFFAOYSA-N 346.426 6.255 0 40 EKAB COc1ccc(OC)c(-c2cc(-c3ccccc3)c3ccccc3n2)c1 7847087 PTVPJIBSYDMKGX-UHFFFAOYSA-N 341.410 5.586 0 40 EKAB c1ccc(Oc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 8428837 IBFOMDWIGWGKSF-UHFFFAOYSA-N 344.370 5.108 0 40 EKAB Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 10370036 LYWZJHCZSUQVEM-UHFFFAOYSA-N 341.760 5.239 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1cccc2c(Cl)cccc12 14258237 OLTUTBFWUVWFPA-UHFFFAOYSA-N 330.214 5.707 0 40 EKAB CC1=CCC2=C(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@H](C(C)C)C[C@H]12 15264294 CGKOFSIWAPIHCH-HBMCJLEFSA-N 340.463 5.266 0 40 EKAB biogenic Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2n1 15835297 KZHAKEVLOKDNPD-INIZCTEOSA-N 348.446 5.073 0 40 EKAB CC[C@@H](C)Oc1cccc(NCCOc2ccccc2[C@H](C)CC)c1 19737545 WEMFBHYPLAWRED-QZTJIDSGSA-N 341.495 5.868 0 40 EKAB CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCc2ccccc21 32905285 SDPPXGVOLHYDPB-QHCPKHFHSA-N 341.454 5.042 0 40 EKAB Cc1ccc(-c2cnc(SC(C)C)n2-c2ccc(F)cc2)cc1 44087064 ZPACBWZQCWAVDC-UHFFFAOYSA-N 326.440 5.487 0 40 EKAB Cc1ccc(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cn1 59934550 WJHNJFHCCAHQEP-UHFFFAOYSA-N 345.446 5.189 0 40 EKAB C/C(=C\c1ccccc1)CN[C@@H](Cc1cccs1)c1nccs1 72341749 OVBDGXXSVFITHD-XOVFHRFOSA-N 340.517 5.182 0 40 EKAB CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3OCc3ccccc3)[C@H]1[C@@H]2C 100314199 DUWXMXJIRAGQTJ-IRRMVTSOSA-N 348.486 5.801 0 40 EKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\c3cccc(O)c3)c2c1 1892408 YYAAFACUWLPCQF-DARPEHSRSA-N 341.410 5.600 0 40 EKAB COc1ccc(C(=O)[C@H](C)Oc2ccc(Oc3ccccc3)cc2)cc1 3448855 VTPMIHPQJGRERD-INIZCTEOSA-N 348.398 5.138 0 40 EKAB Clc1ccc(Oc2nc3ccccc3n3cccc23)cc1Cl 4052000 HKARDEFINAIPPS-UHFFFAOYSA-N 329.186 5.587 0 40 EKAB O=C(Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 5786028 GGMYOYYBPZGQDB-UHFFFAOYSA-N 332.443 5.374 0 40 EKAB Cc1ccccc1/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 8570904 HDUIUECGYVXUQL-OEAKJJBVSA-N 345.398 5.023 0 40 EKAB COc1ccc(CNc2cccc(Cl)c2C)cc1Br 35039015 KKBIKRKVNCNBIV-UHFFFAOYSA-N 340.648 5.032 0 40 EKAB CCCCN1COc2c(c3c(C(C)=O)c(C)oc3c3ccccc23)C1 53184454 XWGYEOAKZMISOP-UHFFFAOYSA-N 337.419 5.049 0 40 EKAB O=C(CCc1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl 85652015 HESCLEICGQVXHS-UHFFFAOYSA-N 348.056 6.116 0 40 EKAB Cc1nc(N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2oc3ccccc3c2n1 86016459 GHZQQHKRGDMUHI-SPLOXXLWSA-N 335.451 5.089 0 40 EKAB Clc1nc2cc(Br)ccc2cc1Cc1ccccc1 90550108 YUQCGFZOLAXBGO-UHFFFAOYSA-N 332.628 5.242 0 40 EKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 113959333 ZGAYZLGLYUNIPG-SFHVURJKSA-N 331.843 5.260 0 40 EKAB Cc1nc(-c2ccccc2NC(=O)Nc2ccccc2Cl)cs1 206909375 RCWPHMNMWXKIES-UHFFFAOYSA-N 343.839 5.416 0 40 EKAB CC(C)c1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225045938 MEJYMTXFTNPMFG-FQEVSTJZSA-N 326.436 5.008 0 40 EKAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 225308530 PGVNYINTGJTMQS-UHFFFAOYSA-N 343.854 5.233 0 40 EKAB CSc1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225328949 KDXLAOZLINIQKH-UHFFFAOYSA-N 340.275 5.287 0 40 EKAB CC1=CC[C@H]([C@]2(C)CC[C@H]3[C@H](O2)c2ccccc2OC3(C)C)CC1 245380334 WNJQFPUJKIPERU-QTUQIOHYSA-N 326.480 5.830 0 40 EKAB CC[C@@H](C(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1 382640821 NPQMKZOMMHGKGC-CYBMUJFWSA-N 326.745 5.735 0 40 EKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)cc2)c(C)c1 409110014 PKKNBGSGIODZPV-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB CN1CCC[C@H]1CCOc1cccc(F)c1Oc1ccc(Cl)cc1 585266241 VQPRPMQGQYJFTC-HNNXBMFYSA-N 349.833 5.135 0 40 EKAB c1ccc(N(c2ccccc2)N(c2ccccc2)c2ccccc2)cc1 1681439 KRMMZNOTUOIFQX-UHFFFAOYSA-N 336.438 6.578 0 40 EKAB O=C(CCCOc1ccccc1)Nc1ccccc1Cc1ccccc1 2647233 MZUANHLGUOZJGZ-UHFFFAOYSA-N 345.442 5.075 0 40 EKAB Cc1cccc(Cc2cnc(NC(=O)c3cc4ccccc4o3)s2)c1 2708303 PDNPRTQUUMHBKA-UHFFFAOYSA-N 348.427 5.041 0 40 EKAB CC1=CC(C)(C)Nc2ccc(OCc3cccc4ccccc34)cc21 4662948 RTYBPTCQFITJMV-UHFFFAOYSA-N 329.443 6.026 0 40 EKAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 5546739 QDOOFLMDRSUMHZ-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB CC1=CC(C)(C)NC(=S)N1c1c(Cl)cc(Cl)cc1Cl 5791632 UXORQQQSTAYYBY-UHFFFAOYSA-N 335.687 5.024 0 40 EKAB Cc1ccc(C)c2sc(NNCc3ccc(C(C)C)cc3)nc12 40542211 KOXVHBRWLRUNIG-UHFFFAOYSA-N 325.481 5.153 0 40 EKAB C[C@H](O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc23)c1 58218004 LKJZNBSDPDLOHV-ZDUSSCGKSA-N 348.427 5.204 0 40 EKAB O=C(Nc1ccccc1-c1ccccc1)N1CCC(n2cccc2)CC1 58605548 LRIPWLAQOZAYRI-UHFFFAOYSA-N 345.446 5.024 0 40 EKAB CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 408733957 TVAOSGCUOCTWCA-JOCHJYFZSA-N 342.442 5.329 0 40 EKAB Cc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc12 537325 DODLSJBFFFADND-UHFFFAOYSA-N 328.371 5.103 0 40 EKAB Cc1nc(N[C@@H]2CCCc3ccccc32)c2c3c(sc2n1)CCCC3 3287030 IJJGSMYQEGRXES-QGZVFWFLSA-N 349.503 5.368 0 40 EKAB CCCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 6941897 LEXVGFAYAAONQJ-UHFFFAOYSA-N 344.669 6.048 0 40 EKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OC 7521299 XOFNVCBTYAULTA-UHFFFAOYSA-N 327.896 5.052 0 40 EKAB c1csc(COc2ccc(CNC3CCCCCCC3)cc2)c1 7524056 LXGZJKFAQWKPMD-UHFFFAOYSA-N 329.509 5.530 0 40 EKAB CC(C)Oc1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10328096 SEYJADNLYYAVHM-UHFFFAOYSA-N 339.479 5.343 0 40 EKAB O=C(CNc1ccccc1-c1ccccc1)Nc1ccccc1Cl 11618637 KKOACHYWRLMQOA-UHFFFAOYSA-N 336.822 5.058 0 40 EKAB C[C@H]1CCCc2c1nc1sc3c(c1c2-c1ccccc1)CC[C@@H](C)C3 12610178 IYMHJHAPFIDFFU-CABCVRRESA-N 347.527 6.528 0 40 EKAB CCCCc1ccc(CC(=O)Nc2ccc(-c3coc(C)n3)cc2)cc1 12914189 HYACZQUHZBQHHM-UHFFFAOYSA-N 348.446 5.174 0 40 EKAB CCCCOc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 14031951 XOSIFJJNYUAOFN-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1ccc(Cl)c(Cl)c1 16608639 SVARYGKGRMWTLF-KFNAQCHYSA-N 344.282 6.003 0 40 EKAB Cc1sc2nc(-c3ccccc3)nc(Oc3cccnc3)c2c1C 17281335 TVAXPWSPSBUYEM-UHFFFAOYSA-N 333.416 5.162 0 40 EKAB CC[C@H](C)c1ccccc1O[C@H](CC)CNc1cc(C)ccc1C 19737795 UTGBKWJKNSYDLK-PKOBYXMFSA-N 325.496 6.086 0 40 EKAB Cc1oc(-c2cccs2)nc1CN(C)Cc1ccc(Cl)s1 22358163 VHRPKAAQBFVUTG-UHFFFAOYSA-N 338.885 5.058 0 40 EKAB CC[C@H](C(=O)Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1 44781858 DGMHLVAGLZIDFN-KRWDZBQOSA-N 328.415 5.453 0 40 EKAB Cc1cc(Sc2ccccc2)ccc1NCc1nc(C(C)C)no1 63472204 CFIIDASOEYONHK-UHFFFAOYSA-N 339.464 5.265 0 40 EKAB C[C@@H](NC(=S)Nc1ccccc1-c1cccs1)c1ccccc1 84656682 SVHXJCXJAZHQPC-CQSZACIVSA-N 338.501 5.463 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224038521 UJXVCRUVNLWXDH-UHFFFAOYSA-N 329.399 5.466 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)c1 225718075 WRZCJPRIEHYJPR-MSOLQXFVSA-N 339.479 5.072 0 40 EKAB CC(C)c1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225843714 LCBPCGYOUSFURP-UHFFFAOYSA-N 344.549 5.627 0 40 EKAB CC[C@H](O)C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 2060188 CXCHMIKXNMISKN-UNMCSNQZSA-N 342.438 5.393 0 40 EKAB O=C(/C=C/c1cccc(F)c1)Oc1ccc2oc3ccccc3c2c1 3282070 FXENTLDIPVTGAN-DHZHZOJOSA-N 332.330 5.344 0 40 EKAB c1ccc(-c2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1 3441335 DXMDRILTSRQRKI-UHFFFAOYSA-N 327.383 5.588 0 40 EKAB COc1ccc(C)c2sc(NC(=O)c3ccc4ccccc4c3)nc12 4331352 VXIYCGDOASKUGX-UHFFFAOYSA-N 348.427 5.019 0 40 EKAB Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4560671 XKQCWMNYUFOXLC-UHFFFAOYSA-N 345.486 5.715 0 40 EKAB CCCCCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1 5951261 CPVMODHLRLYRDD-UHFFFAOYSA-N 331.843 5.551 0 40 EKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1c(F)cccc1F 6588921 ARLMDKZPEDYPEK-UHFFFAOYSA-N 337.369 5.126 0 40 EKAB COc1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 6713450 BJNIFTCQSJFIHO-HXUWFJFHSA-N 335.428 5.646 0 40 EKAB CC(C)(C)CC(C)(C)NCc1cccc(OCc2ccccc2)c1 6857420 GFCLRWXBPSAHHK-UHFFFAOYSA-N 325.496 5.570 0 40 EKAB c1ccc(OCc2nnc(SCc3cccc4ccccc34)o2)cc1 12249492 AXGOKZDFAACQRL-UHFFFAOYSA-N 348.427 5.094 0 40 EKAB Cc1cc(NCCC(C)C)n2nc(C)c(-c3ccccc3Cl)c2n1 23114936 QMWFYPNWPIVQEO-UHFFFAOYSA-N 342.874 5.125 0 40 EKAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n(C2CCCC2)n1 28244169 XZWVYYDTNYXEFK-UHFFFAOYSA-N 345.446 5.226 0 40 EKAB Clc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 30824058 PYLMREKOSQHMTK-UHFFFAOYSA-N 325.582 5.364 0 40 EKAB C[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(Cl)cc2[nH]1 33327209 YRTLDZLTCIJPOS-QMMMGPOBSA-N 341.625 5.663 0 40 EKAB CCSc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 82087206 PCRVQIPZGDJGQY-UHFFFAOYSA-N 343.492 5.114 0 40 EKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1c(C)cc(C)cc1C 216468807 BLVYPHNRPFSOHT-GOSISDBHSA-N 325.452 5.025 0 40 EKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)CC(C)(C)C 224454364 ASPQNXWVGOZZED-GOSISDBHSA-N 341.495 5.328 0 40 EKAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1 225661123 GJHKQFHJNSODGN-DYESRHJHSA-N 347.499 5.180 0 40 EKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccccc1Cl)C(C)C 225759845 ICQDASDXLXEJKE-KRWDZBQOSA-N 332.900 5.332 0 40 EKAB Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Br 226305329 QGORGUOYFIZZCD-UHFFFAOYSA-N 340.692 5.153 0 40 EKAB c1ccc(-c2ccccc2Nc2ccc3c(c2)oc2ccccc23)cc1 1857793978 JZIRXBHGSUKMLQ-UHFFFAOYSA-N 335.406 6.997 0 40 EKAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccc(Cl)c3)cc21 107632 VPKMJCUHSSFMNR-UHFFFAOYSA-N 327.811 5.167 0 40 EKAB CC(C)(C)c1cc(N2Nc3ccccc3N2)c(O)c(C(C)(C)C)c1 2512293 DISILMJZTGTMSG-UHFFFAOYSA-N 325.456 5.161 0 40 EKAB CC(C)(C)c1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)cc1 2570411 IRLJOCRBBIWROZ-UHFFFAOYSA-N 348.229 5.459 0 40 EKAB CC(C)c1cccc(OCCCCOc2cccc(C(C)C)c2)c1 3310493 APRWVRZISHFCTL-UHFFFAOYSA-N 326.480 6.171 0 40 EKAB c1ccc(-c2nnc(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1 3418875 CJBZIYDOKXROPA-UHFFFAOYSA-N 348.409 5.354 0 40 EKAB aggregator Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)o1 3896524 BURCXMFQEVDEIK-UHFFFAOYSA-N 332.407 5.165 0 40 EKAB CCSc1ccccc1C(=O)Nc1nc2c(C)ccc(C)c2s1 4585713 QSOLHURNXBDUBE-UHFFFAOYSA-N 342.489 5.277 0 40 EKAB CCOc1ccc(Br)cc1CNC1CCCCCCC1 7523438 SZCSZCQYCUJFHU-UHFFFAOYSA-N 340.305 5.050 0 40 EKAB CCc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3Cl)cn12 12546567 KMCXWRGZRDZQBY-UHFFFAOYSA-N 347.270 6.085 0 40 EKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1Cl 13994920 LXBACQDYKZYRTF-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB CCOc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1 15880441 GQQQQBIYDVRFJI-UHFFFAOYSA-N 329.783 5.046 0 40 EKAB biogenic Cc1cc(-c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 34533480 AEDJUGFTXGHBTM-UHFFFAOYSA-N 326.480 5.977 0 40 EKAB Cc1ccc(OCCCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 44903440 VRRHROCJORDOQC-NRFANRHFSA-N 339.479 5.058 0 40 EKAB CCc1cccc2c(C(=O)[C@@H](N[C@@H](C)CC)c3ccccc3)c[nH]c12 58166973 WHKXEEKQWUZWAX-BTYIYWSLSA-N 334.463 5.042 0 40 EKAB Cc1cccc(C)c1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 67339268 HWHURBFKHFVRQI-VQHVLOKHSA-N 325.795 5.355 0 40 EKAB Cc1cccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)c1 71977935 ACCAJCPKIKOHNO-UHFFFAOYSA-N 330.218 5.008 0 40 EKAB CC[C@@H](CCSc1ccccc1)NC(=O)c1ccc(Cl)cc1 80344845 QXAOUWCURVPPJH-INIZCTEOSA-N 333.884 5.031 0 40 EKAB O=C(N(C1CCCCC1)C1CCCCC1)C1(c2ccccc2)CC1 100466436 XSUHEUGQRVGQFI-UHFFFAOYSA-N 325.496 5.212 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccc(C)cc1C 219318374 ANHGVSKVULZVLY-LEWJYISDSA-N 339.479 5.037 0 40 EKAB CCCCN[C@@H](CC)c1ccc(OCc2ccccc2)c(OC)c1 222636998 BKAMJPMVGKCZKP-IBGZPJMESA-N 327.468 5.115 0 40 EKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(Cl)c2C)cc1 222876877 LBNQZDIXYVYIRP-SFHVURJKSA-N 331.843 5.007 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1 225748535 YEIAFAYMESPEFQ-FQEVSTJZSA-N 335.488 5.180 0 40 EKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(F)c2)C(C)C)c(C)c1 225764481 PMNGZZUCYPRPIT-SFHVURJKSA-N 330.472 5.126 0 40 EKAB C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612490 SKSOMRHTXHIGIB-UZSURISFSA-N 342.523 5.827 0 40 EKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@H]1C/C(=C\c1ccccc1)C2 257346056 PSUFVZFXGOVTOA-OEYWIRKZSA-N 348.574 7.503 0 40 EKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3C)cc2)cc1 408618761 GJPSWNAJTOELRO-UHFFFAOYSA-N 335.378 5.487 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc(Cl)c3)sc2c1 380979 FSASROMBCHWZIJ-UHFFFAOYSA-N 336.243 5.769 0 40 EKAB BrC1(Br)[C@@H]2CCCCC[C@@]21c1ccccc1 494880 WCAGTIHPELSEOV-CHWSQXEVSA-N 344.090 5.004 0 40 EKAB Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 541293 KMZIPIZZTHRLHA-UHFFFAOYSA-N 328.371 5.103 0 40 EKAB CC(C)CCn1c(COc2ccc(Cl)cc2)nc2ccccc21 1447036 FAMBOIKAEWALDB-UHFFFAOYSA-N 328.843 5.315 0 40 EKAB CCCCc1cc(=O)oc2cc3occ(-c4cccc(OC)c4)c3cc12 2095895 FEFAXXWJLMYBJZ-UHFFFAOYSA-N 348.398 5.557 0 40 EKAB biogenic CC(C)[C@H]1CC(C)(C)[C@@H]2C[C@H]3O[C@@H](C(C)C)CC(C)(C)[C@@H]3C[C@@H]2O1 5395757 YJDWFPSBWFUGFD-IGOIZDSHSA-N 336.560 5.692 0 40 EKAB CCCCOc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 5615184 RFVSRWLXFWENTF-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB CCCCOc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 6240904 JVYWCSZGEONYCP-UHFFFAOYSA-N 334.872 5.328 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1 13039948 XDKARRSXXRMBEK-HNNXBMFYSA-N 344.886 5.061 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1c(Cl)cccc1Cl 30867787 LAHGTRSBAUSMJH-AWEZNQCLSA-N 338.234 5.098 0 40 EKAB Cc1ccc(C)c(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 38752541 HHYJWAACDRMYSC-UHFFFAOYSA-N 341.760 5.157 0 40 EKAB O=C(Nc1ccc(NC2CCCCC2)cc1)c1nccc2ccccc12 65607111 CYNWNFBYKSKMRO-UHFFFAOYSA-N 345.446 5.232 0 40 EKAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 45825 WSVCORIKACUKOT-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB CCCN(CCC)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 68224 LCRBJTLHOGGFRC-UHFFFAOYSA-N 346.474 5.472 0 40 EKAB CCc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1 567871 MEVWVMIYWXJZJG-UHFFFAOYSA-N 336.460 5.242 0 40 EKAB Cc1c(-c2ccc(Cl)cc2Cl)c(=O)oc2ccc(Cl)cc12 2576882 ZFVILYDFZOLDJV-UHFFFAOYSA-N 339.605 5.729 0 40 EKAB biogenic Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(O)cc2)cc1 3039801 XFJYBJYITPLJIB-UHFFFAOYSA-N 344.458 5.034 0 40 EKAB O=C(Cc1c(Cl)cccc1Cl)OCc1cccc2ccccc12 3359705 XAEBZEAMTRYDGT-UHFFFAOYSA-N 345.225 5.433 0 40 EKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(=S)nc[nH]c32)cc1 5891265 FQZZLEWNNKENOE-UHFFFAOYSA-N 347.443 5.149 0 40 EKAB Cc1ccccc1Cn1cc(/C=N/Nc2ccccc2)c2ccccc21 6968848 IDHPFPFICQPWMW-BUVRLJJBSA-N 339.442 5.444 0 40 EKAB CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8325927 MVGKFKOUHPCARW-CYBMUJFWSA-N 338.278 5.461 0 40 EKAB Cc1ccc(COc2ccc3occ(C(=O)c4ccccc4)c3c2)cc1 96184070 WDCDYIHSTNLMTA-UHFFFAOYSA-N 342.394 5.551 0 40 EKAB CC(C)c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225843391 SIBBERGRYCVNEG-UHFFFAOYSA-N 338.520 5.566 0 40 EKAB CC(C)c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225843741 AZNANGXKAPWYOO-UHFFFAOYSA-N 328.481 5.159 0 40 EKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1F 408563322 LJYDMRGLIQDRBD-UHFFFAOYSA-N 337.419 5.370 0 40 EKAB CCCc1ccc(-c2ccc(C(=O)CCCC(=O)OCC)cc2)cc1 575358752 BNZJDKXGNBSPAM-UHFFFAOYSA-N 338.447 5.222 0 40 EKAB Cc1ccc(Oc2ccc(F)cc2OCCCN2CCCCC2)cc1 585266201 JPXBNVARLYMAKJ-UHFFFAOYSA-N 343.442 5.181 0 40 EKAB O=C(O[C@H](c1cccs1)c1nccc2ccccc12)c1ccccc1 386954 LWQGERWQQUQSAW-HXUWFJFHSA-N 345.423 5.243 0 40 EKAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 1400557 HZINYGQTVIBMKB-UHFFFAOYSA-N 345.773 5.090 0 40 EKAB CCCCCCC(=O)C[C@H](SCCO)c1ccccc1Cl 1586832 VEOHMGHQJPLSMR-KRWDZBQOSA-N 328.905 5.036 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)C1(c2ccccc2)CCCC1 2512665 RZXAUCOYYYUCJS-UHFFFAOYSA-N 349.518 6.384 0 40 EKAB Cc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3ccccc32)c1 2691352 UBSWWJQZLDJYRP-UHFFFAOYSA-N 349.437 5.560 0 40 EKAB CCCC[C@@H](CC)CNC(=O)c1c(-c2ccccc2Cl)noc1C 2752914 OZKYEOKANLMDFG-CQSZACIVSA-N 348.874 5.250 0 40 EKAB CCCCCCC(=O)c1cc(CCCCCC)c(OCCC)cc1O 5418476 VTDAGYSNJRUGLW-UHFFFAOYSA-N 348.527 6.457 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)c1 10542768 UTGOUIASLFWQHZ-SFHVURJKSA-N 329.443 5.461 0 40 EKAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(Cl)c1 12274726 CXZARJDRIKEURQ-UHFFFAOYSA-N 346.213 5.814 0 40 EKAB CCOc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12621386 AJTIZTDVGGSRPW-JOCHJYFZSA-N 341.414 5.074 0 40 EKAB Fc1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)cc1 13812372 GGMOEUGPSWCZIH-UHFFFAOYSA-N 338.407 5.427 0 40 EKAB CCCCOc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 14031989 UJXKASAJUAQZQX-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB C[C@H](NCc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 28427009 RIPNXCCADZAVGU-IWUURBKTSA-N 337.429 5.400 0 40 EKAB Oc1ccc(-c2nc3ccccn3c2Nc2cccc(Cl)c2)cc1 35616206 PWGSDWSOUZVATF-UHFFFAOYSA-N 335.794 5.104 0 40 EKAB Brc1cccc(Oc2cccc(Br)c2)c1 39473269 ALSVFJIXSNRBLE-UHFFFAOYSA-N 328.003 5.004 0 40 EKAB biogenic Fc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)c(Cl)c1 71761739 DUMPHWDIXSULFV-UHFFFAOYSA-N 349.645 5.595 0 40 EKAB CC(C)=CCC/C(C)=C/CC[C@]1(C)C=Cc2c(C)cc(O)cc2O1 95586882 QJCFVYYUAJZBKT-IHSQGBLNSA-N 326.480 6.338 0 40 EKAB biogenic c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)[C@H]2CC[C@H]3C2)cc1 101172120 NWMRZCSGFBTTPU-SFTDATJTSA-N 346.473 7.539 0 40 EKAB CCc1nc2ccc(NC(=S)NCCC3=CCCCC3)cc2s1 225206352 IEPKYLYYBAQHEF-UHFFFAOYSA-N 345.537 5.036 0 40 EKAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCCCC1 225711896 BZWBRDIJQGGKEH-UHFFFAOYSA-N 347.499 5.098 0 40 EKAB COc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 194327 JCUSEZQDDFWFDW-UHFFFAOYSA-N 348.833 5.414 0 40 EKAB CC(C)[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1ccccc1 2340503 YMZHXYMUXUDIGT-FCHUYYIVSA-N 335.491 5.474 0 40 EKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 3270392 IPYUIGFOLKQFBJ-UHFFFAOYSA-N 336.460 5.547 0 40 EKAB Cc1ccc(CSc2nc(O)c3sc4ccccc4c3n2)cc1 4002931 SZTPLLJDSQWGKV-UHFFFAOYSA-N 338.457 5.151 0 40 EKAB CC(=O)Nc1ccccc1OCc1ccccc1Oc1ccccc1 5111886 ZBHNFHGKGMJBSU-UHFFFAOYSA-N 333.387 5.016 0 40 EKAB COc1ccc2c(c1)[C@H](c1ccccc1)SC(c1ccccc1)=C2 5372500 AWEZUPDWHCLPKL-QFIPXVFZSA-N 330.452 6.030 0 40 EKAB CC1=NN2C(c3ccc(Cl)c(Cl)c3)=CSC2=NC(C)(C)C1 5416589 CJINEYVFZNCEJU-UHFFFAOYSA-N 340.279 5.255 0 40 EKAB CCc1nc(SCc2ccc(F)cc2)c2oc3ccccc3c2n1 5533104 CUJJITHRPKZUKU-UHFFFAOYSA-N 338.407 5.370 0 40 EKAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(-c2ccccc2)cc1 6085576 DPTNSAZCTYXWAM-HXUWFJFHSA-N 345.467 5.321 0 40 EKAB C[C@H](NCc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 8497381 WRVYUCDFBSZMKQ-UHSVVUDUSA-N 338.322 5.688 0 40 EKAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14396934 WKLSVHRXUPYSKR-HNNXBMFYSA-N 345.870 5.234 0 40 EKAB COc1cc2c(cc1NC(=O)c1ccc(C)c(F)c1)oc1ccccc12 15581322 JSNBVNBZTJMFAX-UHFFFAOYSA-N 349.361 5.294 0 40 EKAB CCN1[C@@H]2C=CC=C[C@@H]2c2ccccc2[C@@H]1C(Cl)(Cl)Cl 19815654 JVBJKGXRMGJROW-BPLDGKMQSA-N 328.670 5.012 0 40 EKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccco1 33374182 HNNCIRYDHPLEAA-HOJAQTOUSA-N 339.479 5.383 0 40 EKAB CS[C@@H](C)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 58129839 JVYHMMWRWOQFEJ-NSHDSACASA-N 337.897 5.181 0 40 EKAB C(=C\c1ccccc1)\C=C(\C=C/c1ccccc1)/C=C/c1ccccc1 104145861 CISGQXZKFFPEDO-GRXWULOSSA-N 334.462 7.053 0 40 EKAB S=C(NCCC1=CCCCC1)Nc1ccc(OC2CCCC2)cc1 225355602 PIRXJDFWFFUMFJ-UHFFFAOYSA-N 344.524 5.185 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225704556 NCOHZYUNZXERPU-LAUBAEHRSA-N 349.515 5.486 0 40 EKAB CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2C)c1 225715883 MFCCWDBTRZSVAG-IBGZPJMESA-N 342.508 5.140 0 40 EKAB O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 408823590 NXDDEFMBYGNMQM-UHFFFAOYSA-N 345.398 5.081 0 40 EKAB COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1Cl 243267 XUQBSEKOYQTUEE-UHFFFAOYSA-N 346.213 5.408 0 40 EKAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 290100 OGKRVSYQEOWVQI-OAQYLSRUSA-N 346.405 5.159 0 40 EKAB CC(C)CCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 534154 YVKDYYOWKNCMRL-UHFFFAOYSA-N 342.508 5.133 0 40 EKAB Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1 1390183 NQZKLELTGRLSFL-UHFFFAOYSA-N 338.863 5.188 0 40 EKAB CC(C)(C)c1cc(CSc2ccccc2)cc(C(C)(C)C)c1O 1680161 KQPYUXWQANMRLB-UHFFFAOYSA-N 328.521 6.280 0 40 EKAB Cc1noc(-c2ccccc2)c1C1(O)CCCCCCCCCCC1 2125261 VTSCHENJHSDTGF-UHFFFAOYSA-N 341.495 6.142 0 40 EKAB Fc1ccc([C@@H](CCNCc2ccc(Cl)cc2)c2ccco2)cc1 2273116 KYVAZSISNIBCIX-LJQANCHMSA-N 343.829 5.384 0 40 EKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2ccccc2c1 3323110 FOKIXITXZIJWJY-IRXDYDNUSA-N 346.474 5.792 0 40 EKAB CC(C)CC[C@]1(CCNCc2ccccc2)CCO[C@@H](C(C)C)C1 4073290 TWEHSWBPHIACBO-YADHBBJMSA-N 331.544 5.424 0 40 EKAB biogenic S=c1ssc2c1S[C@@H](c1cc3ccccc3[nH]1)S2 5604908 CLUVBROWRXRNPT-LLVKDONJSA-N 325.530 5.917 0 40 EKAB CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 6203959 YGCLIJZRJJVKSY-UHFFFAOYSA-N 338.234 5.425 0 40 EKAB CC(C)(C)CC(C)(C)NCc1cccc(OCc2ccccc2F)c1 6857422 SWLXCHZCXSBFOK-UHFFFAOYSA-N 343.486 5.709 0 40 EKAB C[C@H](Sc1ccc(C(C)(C)C)cc1)c1nc2ccccc2c(=O)[nH]1 7285831 CYSDIMXDKDTPGO-ZDUSSCGKSA-N 338.476 5.074 0 40 EKAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(Cl)sc1Cl 8756231 FMLNYRDGWGUODB-UHFFFAOYSA-N 344.307 5.001 0 40 EKAB Cc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 14092961 YFBOLPVIXPOBKN-UHFFFAOYSA-N 341.794 5.073 0 40 EKAB CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 44085373 DSSYIWZUJHXQKP-UHFFFAOYSA-N 345.265 5.024 0 40 EKAB c1ccc([C@H]2CC(c3ccc4c(c3)CCC4)=NN2c2ccccc2)cc1 71408877 UMXYRPXVEQXGNX-XMMPIXPASA-N 338.454 5.531 0 40 EKAB CC(C)(C)c1ncsc1NC(=O)N1CCC[C@H]1C1CCCCC1 75094145 PVHDXZZHIMHQPY-AWEZNQCLSA-N 335.517 5.017 0 40 EKAB CC[C@@H](C(=O)c1c(F)cc(Br)cc1F)c1ccccc1 575362515 SNFGKQIUQHOKRH-GFCCVEGCSA-N 339.179 5.104 0 40 EKAB CCOc1ccccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 363914 QLLCJHLODMGZJW-MRXNPFEDSA-N 325.452 5.026 0 40 EKAB Cc1ccccc1-c1nnc(SCc2c(F)cccc2Cl)o1 422791 KQPHILMWEBTION-UHFFFAOYSA-N 334.803 5.130 0 40 EKAB CCN(CC)CCC[C@H](C)Nc1c(C)cnc2cc(C)c(C)cc12 1729646 MJXLLGCODJAHOJ-SFHVURJKSA-N 327.516 5.082 0 40 EKAB CCOc1ccccc1C(=O)Oc1cc(C)c(Cl)cc1C(C)C 2061798 GTLMTLUNWZCGCF-UHFFFAOYSA-N 332.827 5.390 0 40 EKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)Cc1ccccc1-2 4906775 IDTKPYVNGKWUAJ-KPKJPENVSA-N 345.829 5.563 0 40 EKAB Cc1cccc(COc2ccccc2C(=O)N[C@@H](C)CCC(C)C)c1 6939982 VVQGOQMNCQKAPR-SFHVURJKSA-N 339.479 5.129 0 40 EKAB Cc1ccc(CSCC(=O)Nc2c(Cl)cccc2Cl)cc1 7094402 BSTLPGGVJWYPJK-UHFFFAOYSA-N 340.275 5.174 0 40 EKAB Clc1ccc2nc(-c3ccco3)cc(-c3ccccc3Cl)c2c1 12970702 IQPXRFHZIPKZKQ-UHFFFAOYSA-N 340.209 6.469 0 40 EKAB O=C(/C=C/c1ccc(Cl)s1)Nc1ccccc1C(F)(F)F 14251399 XSTCBHZZGFBALY-SOFGYWHQSA-N 331.746 5.072 0 40 EKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 14396848 PCHLMIVMHRIUNW-CYBMUJFWSA-N 331.843 5.044 0 40 EKAB Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3cccs3)C2)c1 17994576 LDCRJHTVWQFOCB-UHFFFAOYSA-N 332.428 5.407 0 40 EKAB aggregator CCc1ccccc1-n1nc(-c2ccccc2)c2cnc3ccccc3c21 21017244 UYNUEVMKLHUPIR-UHFFFAOYSA-N 349.437 5.803 0 40 EKAB CCc1cccc(C)c1NCC(=O)Nc1ccccc1-c1ccccc1 25735643 AWDBJPVOECVAGF-UHFFFAOYSA-N 344.458 5.275 0 40 EKAB Cc1ccc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)c(C)c1 35681746 ZEKPOSUIVCKNMG-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB Cc1cc(Br)c2oc(-c3ccc(C(C)C)cc3)nc2c1 40542333 AKWWGGQHGGTJJH-UHFFFAOYSA-N 330.225 5.689 0 40 EKAB CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 48325075 FMGFIWOGTSTCJG-CQSZACIVSA-N 342.386 5.286 0 40 EKAB CCOc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1 67340019 VASWXTFRSZEHTM-CSKARUKUSA-N 341.794 5.137 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2cccs2)CC1 75157051 SFJQLQAIWLBFKQ-UHFFFAOYSA-N 347.483 5.435 0 40 EKAB Clc1cccc(COc2ccccc2/C=N/Nc2ccccc2)c1 82375077 CXEIKTKWXAVVLT-HYARGMPZSA-N 336.822 5.365 0 40 EKAB Cc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2S)cc1 101415965 ZJGWXSJCBIWTAW-UHFFFAOYSA-N 345.265 5.103 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 225480469 BLSAFGSYKHFORY-OAHLLOKOSA-N 338.398 5.143 0 40 EKAB Cc1cc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 225643335 CMYRNTSGXBGENF-UHFFFAOYSA-N 341.760 5.536 0 40 EKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1 225748563 VGAWKOSMMVXVMO-HXUWFJFHSA-N 335.488 5.178 0 40 EKAB CCO[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225818092 PVVNKGVIDZPQJU-YCRPNKLZSA-N 343.467 5.161 0 40 EKAB Cc1c(F)cccc1NC(=O)CSc1cccc2ccccc12 409181912 GPPSFCSTYDHRMG-UHFFFAOYSA-N 325.408 5.018 0 40 EKAB Cc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)cc1C 271474 ZIWCZDHQYBRYIW-UHFFFAOYSA-N 344.410 5.010 0 40 EKAB Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 348203 LNPBGKKFWPZTIR-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB Fc1cccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)c1 4969893 VVJFTMYBGYPDDP-UHFFFAOYSA-N 339.373 5.380 0 40 EKAB O=C(CC1CCCC1)Nc1nc(-c2cccc3ccccc23)cs1 6536684 FBLBLNTZVFDJSZ-UHFFFAOYSA-N 336.460 5.482 0 40 EKAB Cc1ccc(C2=Nc3ccccc3S[C@H](c3cccs3)C2)cc1 8411624 IPUCXLBMGQDZTH-FQEVSTJZSA-N 335.497 6.414 0 40 EKAB Cc1csc(N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)n1 9184367 WDMYQFSMYIMZMI-OAHLLOKOSA-N 343.452 5.008 0 40 EKAB O=C(NC1CCCCCCC1)c1ccccc1OCc1ccccc1 13687394 GHZUNHCLGWQTOW-UHFFFAOYSA-N 337.463 5.108 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13709350 YSHNTVNTRJIBOB-KRWDZBQOSA-N 347.458 5.588 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CSCc2cccc(Cl)c2)c(C)c1 20458238 AUAKQTZXGVEBBW-HNNXBMFYSA-N 347.911 5.067 0 40 EKAB CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)c1 20459948 UAKOQRBSNHWUTQ-FQEVSTJZSA-N 349.430 5.035 0 40 EKAB Cc1ccc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2)cc1 30754642 FOZRCGVFXLNKMJ-UHFFFAOYSA-N 343.470 5.176 0 40 EKAB Clc1ccc(Cc2nc3cccc(Cc4ccccc4)c3o2)cc1 57352443 MKCIZJQGYQHMLR-UHFFFAOYSA-N 333.818 5.663 0 40 EKAB CC1(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)CCCC1 58419498 LLSOFXOOZNBEEQ-UHFFFAOYSA-N 342.489 5.087 0 40 EKAB C[C@@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)O)c2C1 83332287 ATJAFMBXOWIHEQ-UMWKZLPKSA-N 329.399 5.056 0 40 EKAB C[C@]12CC[C@@]3(CS3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CS1 118916204 GIBFGVLFEQJQJA-VNMDENKTSA-N 348.621 6.000 0 40 EKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225740061 XHFVEZVKNLYZAG-OXQOHEQNSA-N 335.488 5.096 0 40 EKAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)c2ccccc12 225797805 DTCHTVYPVYYOHK-NRFANRHFSA-N 343.467 5.162 0 40 EKAB CCNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 226303087 ZIUMYLJMLJAJLV-UHFFFAOYSA-N 334.301 5.349 0 40 EKAB O=c1cc(-c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12 57944 JVVNMSCBUIIZBK-UHFFFAOYSA-N 325.578 5.420 0 40 EKAB biogenic,in-vitro Clc1cccc2sc(-c3nnc(-c4ccccc4)o3)c(Cl)c12 319784 ZWIIVFMUYHYCHS-UHFFFAOYSA-N 347.226 5.925 0 40 EKAB CC1(C)C2(SC2(Cl)Cl)C(C)(C)C12SC2(Cl)Cl 977141 SBEOEPANGZDIOV-UHFFFAOYSA-N 338.152 5.286 0 40 EKAB O=C1O[C@@H](c2ccccc2)CC1(Cc1ccccc1)Cc1ccccc1 1595932 MAUIIAKFUZUURY-JOCHJYFZSA-N 342.438 5.146 0 40 EKAB CCN(CC)CCC[C@@H](C)n1c(SC)nc2cc(Cl)ccc21 2042691 WDXHMHWOXHKXEF-CYBMUJFWSA-N 339.936 5.095 0 40 EKAB CCc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1 2741202 VIJIVTHRZMRHJG-UHFFFAOYSA-N 327.378 5.013 0 40 EKAB Oc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)cc1 3096756 VDBWPNNCGMJOQV-HSZRJFAPSA-N 327.427 6.040 0 40 EKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 3797551 FKNZCFYWNHCQGE-IRMBCWQZSA-N 349.518 5.687 0 40 EKAB in-vitro CCCCC1CCC(c2ccc(-c3cc(F)cc([N+]#N)c3)nc2)CC1 4793811 LZTBDJOXWPKCAN-UHFFFAOYSA-N 338.450 6.836 0 40 EKAB Cn1c(SCc2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 4924792 AXLNNVWBVLKQBW-UHFFFAOYSA-N 347.443 5.034 0 40 EKAB Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2)[C@@H]3CCC1 4959777 NZSQNBHONQZHHP-JOCHJYFZSA-N 330.475 5.233 0 40 EKAB Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 6185502 VGYFQJUJIKEORU-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB Clc1ccccc1[C@@H]1CC(c2ccco2)=Nc2ccccc2S1 6756846 JARBOGZDNLAGRE-IBGZPJMESA-N 339.847 6.291 0 40 EKAB CCc1cccc2c(C=O)cn(CCOc3ccc(C(C)(C)C)cc3)c12 6945378 YGXKLKGIHSXAEB-UHFFFAOYSA-N 349.474 5.393 0 40 EKAB C1=C(/C=C/c2ccccc2)C[C@@H](c2ccccc2)C(c2ccccc2)=C1 8385018 PSEWIMFWFJUOBY-ZOGILVBSSA-N 334.462 6.897 0 40 EKAB CN(C(=O)CCc1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 12732233 DECBTTKMZOINCN-HSZRJFAPSA-N 347.433 5.006 0 40 EKAB Cc1nn2c(c1-c1cccc3ccccc13)N=CC[C@@H]2c1ccccc1 14607100 SPMZNQSCUVRWSA-OAQYLSRUSA-N 337.426 5.707 0 40 EKAB CC/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCCCCC(=O)O 15122330 YUFFSWGQGVEMMI-IKHGVYGUSA-N 330.512 6.773 0 40 EKAB C=C(Cl)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1 15544449 RHPWGZZQNNQOSI-UHFFFAOYSA-N 342.778 5.025 0 40 EKAB Fc1ccc(COc2ccccc2CNC2CCCCCC2)cc1 16449629 WGQNFCXQOLFLGD-UHFFFAOYSA-N 327.443 5.217 0 40 EKAB Cc1ccc(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1 18193170 KNQZEYUMWPBJHJ-NRFANRHFSA-N 349.861 6.075 0 40 EKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccc(F)c1 22518174 CCCVMHMONFFBEO-UHFFFAOYSA-N 344.238 5.004 0 40 EKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)cc1C 33720513 GBAJLQSOVAIXEG-UHFFFAOYSA-N 343.785 5.608 0 40 EKAB O=C1c2ccccc2[C@H]2CC(c3ccc(C4CCCCC4)cc3)=NN12 35655311 PUEPVYUUGDFAKU-OAQYLSRUSA-N 330.431 5.039 0 40 EKAB COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1 37868605 PGWZWDHGBCTCBR-UHFFFAOYSA-N 338.457 5.313 0 40 EKAB Cc1cc(Nc2ccccc2C(=O)O)c2cc(Cl)cc(Cl)c2n1 78401702 RWSHXALKRPWLBI-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB O=C(c1ccc(Oc2ccccc2)cc1)c1cc(F)c(F)cc1F 95917326 BGVTVGAFKCKNIA-UHFFFAOYSA-N 328.289 5.127 0 40 EKAB CCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222979460 LFVYHSQMRBLYDS-HNNXBMFYSA-N 339.504 5.168 0 40 EKAB CC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1 225332010 FUNCYJOTRBXOPE-KRWDZBQOSA-N 336.262 5.194 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225748718 YBUOQLPQHFXRES-UWJYYQICSA-N 349.515 5.568 0 40 EKAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225818185 RMPXSKNXCXBVBP-OAQYLSRUSA-N 343.467 5.018 0 40 EKAB COCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 257345690 GNHLECXLLAGZRC-NCEGCGGISA-N 332.528 5.251 0 40 EKAB CC[C@@H](C(=O)c1ccc(OC(F)(F)F)c(F)c1)c1ccccc1 575360952 UZHMGNZYUZBRRO-CYBMUJFWSA-N 326.289 5.101 0 40 EKAB C[C@@H](Nc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 213299 VTZGHLFZZGIMNI-LLVKDONJSA-N 349.381 5.397 0 40 EKAB FC(F)(F)c1cnc(Sc2nc3ccccc3o2)c(Cl)c1 480183 UOKRCMHBKBVTTL-UHFFFAOYSA-N 330.718 5.046 0 40 EKAB Fc1ccc(COc2nnc(-c3ccccc3)c3ccccc23)cc1 2639924 WHRLSXKCPITIRK-UHFFFAOYSA-N 330.362 5.015 0 40 EKAB Cc1ccccc1CSc1nnc(Nc2ccccc2C)s1 3364658 FBCNKTNVWCYDPQ-UHFFFAOYSA-N 327.478 5.191 0 40 EKAB O=C(c1ccco1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 4373795 ZELKVBCDHILATF-QRFRQXIXSA-N 343.854 5.035 0 40 EKAB CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C 5757999 NEOZOXKVMDBOSG-UHFFFAOYSA-N 326.565 7.055 0 40 EKAB Cc1cc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1 6236787 PCEBCECOUYNGOB-UHFFFAOYSA-N 327.733 5.228 0 40 EKAB Cc1ccc2c(CNc3ccc4ccccc4c3)cc(=O)oc2c1C 6285201 XDVIKGZKHINUGQ-UHFFFAOYSA-N 329.399 5.175 0 40 EKAB CCCCCCNCc1ccc(-c2ccc(Br)cc2)o1 7261052 CHWXHQUDGYZWHL-UHFFFAOYSA-N 336.273 5.379 0 40 EKAB CCC[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 13406060 GTJWLICNGQSVJA-OJAHFUOMSA-N 344.495 5.290 0 40 EKAB biogenic Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccccc1Cl 15831750 CUTZSWGMJAHTIT-UHFFFAOYSA-N 345.851 5.146 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1F 28210650 MYUWUTJKVSVGLK-UHFFFAOYSA-N 343.304 5.149 0 40 EKAB CC(C)C[C@@H](NC(=O)CCSCc1ccccc1)c1ccccc1 30865140 INOVOSUBOXBKBH-HXUWFJFHSA-N 341.520 5.214 0 40 EKAB CC[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 38755680 QJRGWOHLIXOSEA-RBNQXFGJSA-N 335.491 5.573 0 40 EKAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118926020 WCRNVUWHLPSYKR-JCBWCNRASA-N 346.555 5.845 0 40 EKAB CC[C@@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)cc1C 225713510 GBGKLNVERUAIOX-LJQANCHMSA-N 326.509 5.358 0 40 EKAB CCOc1ccccc1Cc1cc(Br)ccc1Cl 1848435063 OJDCRWLGJWSFFT-UHFFFAOYSA-N 325.633 5.092 0 40 EKAB in-vitro COc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 34075 UGOOLHBHHMVYSB-UHFFFAOYSA-N 344.625 5.216 0 40 EKAB Cc1ccc(-n2c(C)nnc2SCc2ccc(Cl)cc2)cc1C 479235 UXOMZHAJYHVOLV-UHFFFAOYSA-N 343.883 5.138 0 40 EKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 505761 SSOGWZXDLHWGJU-ZDUSSCGKSA-N 331.843 5.179 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 579378 QTQPRQNWHCCTPR-VMPITWQZSA-N 326.610 5.299 0 40 EKAB Cc1nn2c(NCC(C)C)cc(C(C)(C)C)nc2c1-c1ccccc1 2224016 MSKUWVFIFXMEOR-UHFFFAOYSA-N 336.483 5.070 0 40 EKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 2655212 QGBWSWOBWDXAMA-UHFFFAOYSA-N 341.810 5.129 0 40 EKAB O=C(c1ccc2ccccc2c1O)N(c1ccccc1)c1ccccc1 3110435 DIQAPOLUCLPGKQ-UHFFFAOYSA-N 339.394 5.524 0 40 EKAB O=C(OC/C=C/c1ccccc1)C(c1ccccc1)c1ccccc1 3408625 WQFMQTQJTMQJBS-JLHYYAGUSA-N 328.411 5.075 0 40 EKAB O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4599610 MDTRAEYDESMZJO-UHFFFAOYSA-N 332.186 5.506 0 40 EKAB CC(C)Nc1nc(-c2ccc(Cl)cc2)nc2c1oc1ccccc12 5156210 LEXHDOQROFEPEK-UHFFFAOYSA-N 337.810 5.517 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5903479 VADJRBOCEBWNJJ-RMKNXTFCSA-N 337.507 5.082 0 40 EKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 8481031 BUGMVPYMWWKCQB-UHFFFAOYSA-N 340.275 5.746 0 40 EKAB Clc1ccccc1CNCc1ccc(OCc2cccs2)cc1 16449746 DQFONKBWFSBKQP-UHFFFAOYSA-N 343.879 5.270 0 40 EKAB CCCCc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 20453969 PPVSCIVRKNFPFN-UHFFFAOYSA-N 331.456 5.040 0 40 EKAB Cc1ccc2nsnc2c1NC(=S)c1ccc(C(C)(C)C)cc1 30822880 PVNKLSKHTCVJIN-UHFFFAOYSA-N 341.505 5.085 0 40 EKAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 32842032 WBTNFEUCQHGQCV-LBPRGKRZSA-N 345.851 5.495 0 40 EKAB CCCCCc1ccc(C(=O)c2ccc(Br)cc2)cc1 43210213 VKNWSBODGBUHBL-UHFFFAOYSA-N 331.253 5.413 0 40 EKAB c1ccc(CN2CCC[C@H]2c2cccnc2Oc2ccccc2)cc1 72212189 AOEPZOUJRNXPSR-NRFANRHFSA-N 330.431 5.211 0 40 EKAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCC2 223156693 FKXPUGFDXQXRTG-KRWDZBQOSA-N 341.454 5.333 0 40 EKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(C)c1 225742773 PZMRRFCTIGEGKW-UHFFFAOYSA-N 349.515 5.200 0 40 EKAB CCC1(NC(=S)Nc2ccc(OC3CCCC3)cc2)CCCC1 225869164 SVENKVZJFWNFFC-UHFFFAOYSA-N 332.513 5.017 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C=C/[C@H](O)CCCC(=O)OC 256929780 RWLSHOXCJVZJMD-OMPZQRSSSA-N 334.500 5.276 0 40 EKAB Cc1ccc(-c2nnc(Oc3cccc(C)c3)c3ccccc23)cc1 501707 PJHTVPXMJKSJMV-UHFFFAOYSA-N 326.399 5.706 0 40 EKAB CCCCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 2079596 VSUYOVSLCURYCQ-UHFFFAOYSA-N 339.822 5.512 0 40 EKAB O=C(CCc1cc(F)cc(Cl)c1)c1cccc(Br)c1 2517746 RJFGTRVYLHFDBR-UHFFFAOYSA-N 341.607 5.057 0 40 EKAB c1ccc(CNc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 3327595 LQLDNZAANXBIHO-UHFFFAOYSA-N 348.515 6.470 0 40 EKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccccc3)ccc21 3335672 ZGLSEGDGVRPZFY-UHFFFAOYSA-N 345.471 5.623 0 40 EKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(C)=CC[C@]4(C)[C@@H]3CC[C@]12C 3850024 OLUAAWREULLCHM-BZDFKLGJSA-N 330.512 5.517 0 40 EKAB CCCC[C@H](C)CCOC(=O)/C=C/C(=O)OCC[C@H](C)CCCC 5553393 CLGJLUYIBOKHCU-JZYAGYNQSA-N 340.504 5.062 0 40 EKAB c1coc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)c1 5776488 OXGGEQXKVAINQP-KKSFZXQISA-N 331.440 5.810 0 40 EKAB Cc1cc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c(C)o1 7756771 IEXGLGVJENYTEL-UHFFFAOYSA-N 340.448 5.198 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1occc1COc1ccccc1 11469953 UHUQISWUUWNUJM-UHFFFAOYSA-N 349.430 5.236 0 40 EKAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccccc3C)ccc2c1 12981545 VIHQRFBAEAGQMF-IRXDYDNUSA-N 347.458 5.138 0 40 EKAB CC(C)c1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1 13820281 KSWSOHDJSBNQII-MRXNPFEDSA-N 326.509 5.118 0 40 EKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(C)cc1 20495337 UYZIJRSANRVBAC-JTSKRJEESA-N 347.458 5.183 0 40 EKAB CN(Cc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1 32751340 PGYQVPNZJHMEDB-UHFFFAOYSA-N 328.415 5.049 0 40 EKAB CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(F)F)c12 36617013 JSDYEISFZHSRQI-UHFFFAOYSA-N 345.368 5.498 0 40 EKAB Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c(C)n1C1CC1 71867085 RFUPGHDXSOLOKD-UHFFFAOYSA-N 345.446 5.436 0 40 EKAB COc1cc([C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(=O)Nc1ccccc1 102772336 BEGPRXZENQASEA-RLFYNMQTSA-N 337.419 5.210 0 40 EKAB CCOc1ccc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 104583454 KOXRZHDZFMOEBP-IJXDTGRPSA-N 327.468 5.020 0 40 EKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118933091 LBGCQMWKTKHISP-UMWWKMARSA-N 332.528 5.741 0 40 EKAB Cc1c(Cl)cccc1NC(=S)Nc1cccc2ncccc12 215677669 HKYZWOFJISSHQG-UHFFFAOYSA-N 327.840 5.006 0 40 EKAB C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 223150905 RRZITRBWKODLOQ-IUYQLWOBSA-N 347.502 5.363 0 40 EKAB CCCCc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225129583 SJDITWHXCCXIPI-SFHVURJKSA-N 348.895 5.471 0 40 EKAB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCC[C@@H](C)C1 225717451 JOKFQDMHTZUNEH-LDBYXDLTSA-N 347.499 5.096 0 40 EKAB O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 226295547 NOPOYJVYAHARID-RUZDIDTESA-N 336.434 5.687 0 40 EKAB O=C(Nc1cccc2ccccc12)N[C@H]1CCCC[C@H]1Cc1ccco1 494505 JQZFQBRHCLMOBB-PXNSSMCTSA-N 348.446 5.356 0 40 EKAB O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 513872 VCBRQEYZSWSRMQ-RMKNXTFCSA-N 325.717 5.011 0 40 EKAB Cc1nc(-c2ccc(Cl)cc2)oc1C(=O)Nc1ccc(Cl)cc1 1400985 NPEAGUNPNLXKSN-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1 2521616 GOFFZTAPOOICFT-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB CCCCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 3155936 GGCPPTSCKWIRBQ-UHFFFAOYSA-N 332.241 5.044 0 40 EKAB C[P@](=O)(Oc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)F 3176987 ZJZCLKSFPMLRDW-FPTDNZKUSA-N 330.242 5.209 0 40 EKAB CCn1c2ccccc2c2cc(NC(=O)CCC3CCCCC3)ccc21 3178670 SFZFKJWUTXVDQE-UHFFFAOYSA-N 348.490 6.113 0 40 EKAB CC(C)CC[C@@H](CCNCc1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 5245452 GZOWTYROHMHWNF-VQTJNVASSA-N 349.534 5.563 0 40 EKAB C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 13774746 USCLEOPPYYAJSD-ZDUSSCGKSA-N 330.472 5.171 0 40 EKAB CC(=O)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)s1 16321974 HLNZGSGTAFBTLA-UHFFFAOYSA-N 343.451 6.574 0 40 EKAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cc2ccccc2s1 31083947 BDFKISKAKGRXKJ-UHFFFAOYSA-N 337.322 5.052 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)/C=C/c2nc3ccccc3s2)cc1 32963884 WPZNVEWEBGHIBF-FNDVETGQSA-N 336.460 5.462 0 40 EKAB CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(CC)cc3)nc21 36612497 NERJRFCUVAIOJN-UHFFFAOYSA-N 343.421 5.707 0 40 EKAB Cc1nnc(SC(c2ccc(F)cc2)c2ccc(F)cc2)s1 72099404 RVKAMUOYUDUQHG-UHFFFAOYSA-N 334.416 5.006 0 40 EKAB O=C(CCc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1 96655824 LNWDETLXNOZMOL-UHFFFAOYSA-N 335.378 5.189 0 40 EKAB CCOc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 223130749 GGGAFZFERALEND-UHFFFAOYSA-N 348.427 5.101 0 40 EKAB c1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1 409110464 WHFIPNRVPNAPLE-UHFFFAOYSA-N 339.438 6.031 0 40 EKAB C=CC(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 42668 OGXUUWABVBUFEA-UHFFFAOYSA-N 333.503 5.282 0 40 EKAB Cc1ccn2c(NCCC(C)C)c(-c3ccc(Cl)cc3)nc2c1 417131 GTCQWBVAYNXGNA-UHFFFAOYSA-N 327.859 5.421 0 40 EKAB O=C(O)c1cc2ccc(Cl)cc2c2c1C(=O)c1cc(Cl)ccc1-2 1600035 NUIBHBRSXSTTKO-UHFFFAOYSA-N 343.165 5.056 0 40 EKAB O[C@](/C=C/c1ccccc1)(c1ccccc1)c1nc2ccccc2s1 1609991 LXUNHGPWRBNEMY-SFZDQAMXSA-N 343.451 5.246 0 40 EKAB CC(C)(C)C1CCC(NC(=O)C2(c3ccccc3)CCCC2)CC1 2512671 AHPIYVSDSXWHQV-UHFFFAOYSA-N 327.512 5.220 0 40 EKAB O=C(COc1cccc(Oc2ccccc2)c1)c1cccc(Cl)c1 2726063 HDISIFQVDURZFE-UHFFFAOYSA-N 338.790 5.394 0 40 EKAB Cc1cc(C)c2nc(NC(=O)c3cc4c(s3)CCCC4)sc2c1 3169511 WHYZWASLCBQWSB-UHFFFAOYSA-N 342.489 5.106 0 40 EKAB CC[C@H](C)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 3328105 FUQILPHTBHIBTD-AWEZNQCLSA-N 334.419 5.416 0 40 EKAB CC(=O)Nc1ccc(SCc2ccccc2Oc2ccccc2)cc1 3424313 MRRWCFTXFQINEF-UHFFFAOYSA-N 349.455 5.730 0 40 EKAB Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 3898206 NFVFKRBNQAEKOU-JOCHJYFZSA-N 330.406 5.490 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1cccc2ccccc12 4886695 IVXWXTLJSYVJDB-UHFFFAOYSA-N 343.451 5.724 0 40 EKAB CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 5034937 ACCMBSIBIMDLQG-PWOUQQLPSA-N 332.447 5.137 0 40 EKAB CCN(CC)C[C@@H](C)N1c2ccccc2Sc2ccc(Cl)cc21 5333439 OSRHRKZKAYRCMF-CQSZACIVSA-N 346.927 5.673 0 40 EKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 6251914 ZENUAQNDZAGFAR-SECBINFHSA-N 344.625 5.053 0 40 EKAB c1ccc2oc(CN3CCCC[C@H]3c3nc4ccccc4s3)nc2c1 8005165 GXVZOGNZUSUTQF-INIZCTEOSA-N 349.459 5.165 0 40 EKAB Cc1ccccc1Oc1ccc(NC(=O)c2cccnc2Cl)cc1 8051356 CTARCMICFLQIGL-UHFFFAOYSA-N 338.794 5.088 0 40 EKAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(C)cc1 20452423 MMSROOVJFBGJBK-SFHVURJKSA-N 347.911 5.149 0 40 EKAB CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)nc3ccccn23)cc1 35606478 WXUQTPIHFDJEKS-UHFFFAOYSA-N 343.430 5.574 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 44844707 CMXSFFCPDRDWIZ-SFTDATJTSA-N 339.479 5.037 0 40 EKAB c1ccc(CN2CCCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 72214105 LAFHCNVUVXCJQZ-QFIPXVFZSA-N 343.474 5.552 0 40 EKAB COC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 73635332 NVRGTAFPBJUQBZ-UHFFFAOYSA-N 338.215 5.057 0 40 EKAB CC(C)(C)c1ccc2oc(Cc3ccccc3C(F)(F)F)nc2c1 199797576 WNRFDRSSEDHBRG-UHFFFAOYSA-N 333.353 5.735 0 40 EKAB C[C@H](Nc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 213297 VTZGHLFZZGIMNI-NSHDSACASA-N 349.381 5.397 0 40 EKAB CCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(C)cccc12 2078805 GRSHCFCQJRWGAS-UHFFFAOYSA-N 333.431 5.476 0 40 EKAB Cc1cc(C)c(NC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 3402235 SJJXFVHERHVTSV-UHFFFAOYSA-N 342.653 5.445 0 40 EKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CCC2 3885014 ZEMWAFJIOKMVRN-WYMLVPIESA-N 349.817 5.463 0 40 EKAB CC(C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 4690826 UHGWVLLFUBGUSQ-UHFFFAOYSA-N 331.843 5.260 0 40 EKAB Cc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1 6231587 SQEFODLHCNTMGH-UHFFFAOYSA-N 331.440 5.851 0 40 EKAB CCC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 6289003 NRRFPPHJBDXUMD-JOCHJYFZSA-N 343.470 5.476 0 40 EKAB CC(C)NC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 6763190 LWRAMXSFQFAJME-VJBWXMMDSA-N 327.556 5.818 0 40 EKAB Cc1ccccc1-c1noc(COc2ccccc2-c2ccccc2)n1 6784685 NIOMERVVMDWJTE-UHFFFAOYSA-N 342.398 5.291 0 40 EKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2ccccc2o1 6889876 DPGYOUVLKMLFAX-UHFFFAOYSA-N 343.382 5.264 0 40 EKAB CCCCOc1ccc(C(=O)Nc2ccccc2CC)cc1OCC 7724091 JYTPFNRJXORSFG-UHFFFAOYSA-N 341.451 5.079 0 40 EKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(Cl)c1 13994608 WWCIDIISRQHZCG-HNNXBMFYSA-N 338.234 5.098 0 40 EKAB Cc1ccc(N2C(=O)CSC23CCC(C(C)(C)C)CC3)cc1C 14415225 YPWRTAPXDNWFBP-UHFFFAOYSA-N 331.525 5.316 0 40 EKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc2ccccc12 44904087 KDWDZBLJXNDBGD-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 47220156 NJXVJUYFHYMTDB-NSHDSACASA-N 340.275 5.421 0 40 EKAB CC(C)c1cccc(C(C)C)c1[N+]1=CC2(CCCCC2)CC1(C)C 60294228 SZNXMVVSQRGTMT-UHFFFAOYSA-N 326.548 6.781 0 40 EKAB Cc1cccc(-c2nc3ccc(NC(=O)c4ccccc4C)cc3o2)c1 62049568 JSLWSEVZVFSYPN-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB CCc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 75283950 SVDHYQZAJSPINJ-UHFFFAOYSA-N 347.414 5.059 0 40 EKAB CCOc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl 223496875 IVKZNHJNEYVMOL-OAHLLOKOSA-N 345.870 5.155 0 40 EKAB O=C(CCc1c[nH]c2ccccc12)OCc1c(Cl)cccc1Cl 566963 FHXIWZHIZBCUMQ-UHFFFAOYSA-N 348.229 5.151 0 40 EKAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1NC1CCCCC1 904179 ZFKMQKXJHVDJKF-UHFFFAOYSA-N 341.842 5.105 0 40 EKAB Cc1ccc(OCC2=NC(C)(C)Cc3c2ccc2ccccc32)cc1 1437980 YEETZVCUJAPMAB-UHFFFAOYSA-N 329.443 5.351 0 40 EKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2ccccc2c1 7782583 BWGBVTMNIQPFCW-UHFFFAOYSA-N 344.241 5.419 0 40 EKAB Cc1c(-c2ccccc2)sc2ncnc(N[C@H](C)c3ccco3)c12 7908128 RSCMTMXMVIARJI-CYBMUJFWSA-N 335.432 5.433 0 40 EKAB Cc1cc(-c2ccccc2)n2nc(C)c(-c3cccc(Cl)c3)c2n1 8569779 DOENOYLAZNVXJF-UHFFFAOYSA-N 333.822 5.334 0 40 EKAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1CCCCC1 8717147 DOTQPZHEKOUDPE-UHFFFAOYSA-N 348.446 5.027 0 40 EKAB Cc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 13329959 SOSGTLFBWIRTTO-GFCCVEGCSA-N 337.250 5.493 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccc1Cl 20192159 MNFSWWKLCKBJSJ-NRFANRHFSA-N 347.849 5.726 0 40 EKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 26392964 GZOSMCIZMLWJML-JGHDBACZSA-N 349.518 5.399 0 40 EKAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 57315787 FBNYZWSROGPDCV-FYWRMAATSA-N 331.415 5.469 0 40 EKAB Cc1ccc(-c2nc3ccc(NC(=O)c4cccc(C)c4)cc3o2)cc1 95116520 QOAIEWABJXYVPI-UHFFFAOYSA-N 342.398 5.364 0 40 EKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC=C[C@H]3[C@@]1(Cl)C2(Cl)Cl 100020364 XCJXQCUJXDUNDN-NBOWERDSSA-N 338.876 5.024 0 40 EKAB Cc1c(C=O)c2cc(OCC(C)C)ccc2n1CCc1ccccc1 217773080 ATEHZSUQXVYKGT-UHFFFAOYSA-N 335.447 5.040 0 40 EKAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225373978 WGKXLYQYIDIMJN-CYBMUJFWSA-N 336.262 5.112 0 40 EKAB CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1C 225700002 JRUAAQXUWPSGNC-FQEVSTJZSA-N 339.479 5.073 0 40 EKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CC[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245240605 QMOPYIPYDKCJRB-SELGYLMWSA-N 330.512 5.049 0 40 EKAB COc1ccc2oc(=O)c(-c3ccc(Cl)cc3Cl)c(C)c2c1 57993 CYJXXOSIMPZJNA-UHFFFAOYSA-N 335.186 5.084 0 40 EKAB biogenic CN(C)CCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 347677 ZFZNTXIAUNKWJO-SFHVURJKSA-N 349.952 5.383 0 40 EKAB CCCCN(CCCC)C[C@@H](O)c1cc(Cl)c(Cl)cc1C 2042650 MUIYBHKUNWBBCC-QGZVFWFLSA-N 332.315 5.237 0 40 EKAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(C2CCCCC2)cc1 2570910 KTYRJNIASIXYFM-NTUHNPAUSA-N 349.430 5.115 0 40 EKAB Cc1cccc(NC(=O)C2C[C@@H](C(C)(C)C)C[C@H](C(C)(C)C)C2)c1 3141068 KODXCSWTOHUZBU-QZTJIDSGSA-N 329.528 6.058 0 40 EKAB c1ccc(-c2ncc(CSc3ncnc4sccc34)s2)cc1 3386123 NHASQBGZODNXMU-UHFFFAOYSA-N 341.486 5.107 0 40 EKAB Cc1cc(C)c(NC(=O)CCCOc2ccc(Cl)cc2C)c(C)c1 4719191 PQYOAWXHADWRCN-UHFFFAOYSA-N 345.870 5.371 0 40 EKAB Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1ccccc1C 12857252 QHPPDJCVGHGSBJ-UHFFFAOYSA-N 341.414 5.099 0 40 EKAB Cc1cccc(C)c1NC(=O)N1c2ccccc2Sc2ccccc21 13717072 GRELEUCSILGSLN-UHFFFAOYSA-N 346.455 6.138 0 40 EKAB O=C1C2=C(CCCC2)[C@H](SCc2ccccc2)N1Cc1ccccc1 13940105 QXFGACCNKVWSDG-QFIPXVFZSA-N 349.499 5.159 0 40 EKAB CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 14245997 FPUYTGBNJQXZMQ-SFHVURJKSA-N 344.842 5.108 0 40 EKAB NCCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 16957877 OVBAZEUSCRGDKY-DQRAZIAOSA-N 349.861 5.180 0 40 EKAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(C)cc1 30869626 IYNWBPKRGBUMPM-UWJYYQICSA-N 347.458 5.183 0 40 EKAB C[C@H](NC(=O)c1occc1-c1ccccc1)c1ccc2ccccc2c1 31405074 GGWSCIKMNOISDP-INIZCTEOSA-N 341.410 5.591 0 40 EKAB CC(C)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412193 JVWMLOAIJBDYMR-UHFFFAOYSA-N 339.826 5.106 0 40 EKAB CC(C)OCc1cccc(NC(=O)Nc2cccc3ccccc23)c1 58146966 BUKJDTAYBPUFLV-UHFFFAOYSA-N 334.419 5.409 0 40 EKAB O=C(NCc1cccc(Cl)c1)c1sccc1-c1ccc(F)cc1 58227493 PDWNYPPQUVIMBA-UHFFFAOYSA-N 345.826 5.138 0 40 EKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2sc3ccccc3c2Cl)C1 100986951 PFBJGCVIEMIYDM-HXPMCKFVSA-N 347.911 5.596 0 40 EKAB CCC1(CC)C[C@H](NC(=O)c2cc3ccccc3o2)c2ccccc2O1 223212239 YONBNUGFQJLNAS-KRWDZBQOSA-N 349.430 5.245 0 40 EKAB Cc1ccc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 225751359 HUORJRNXFUNFCF-FQEVSTJZSA-N 349.474 5.260 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2ccccc2Cl)C(C)C)c(C)c1 225763310 MVTRGMMUDIBQBW-GOSISDBHSA-N 346.927 5.641 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccccc2CC)cc1OCC 409112341 BOJFDACPCNNQHB-UHFFFAOYSA-N 347.886 5.702 0 40 EKAB O=C(C(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618256204 FGYSHMOAGIFBCD-VXKWHMMOSA-N 343.470 5.062 0 40 EKAB Cc1cccc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc12 45182 SLEJGHUJVLQUCG-UHFFFAOYSA-N 338.410 5.463 0 40 EKAB CC(=O)N(CC[C@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccco1 2108520 XTZVNPCEIGOVPL-OAQYLSRUSA-N 349.515 5.030 0 40 EKAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 2510518 QKKRBFJDWCHVEY-UHFFFAOYSA-N 333.353 5.156 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 3342282 YXOUABSAVUIBLX-QGZVFWFLSA-N 336.262 5.680 0 40 EKAB Fc1ccc(-c2csc3ncnc(NCC4CCCCC4)c23)cc1 3459785 IMPLLOCNEQQBSY-UHFFFAOYSA-N 341.455 5.490 0 40 EKAB O=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 4739290 YSFSSYUZZQDUHU-UHFFFAOYSA-N 331.198 5.538 0 40 EKAB C1=C([C@H]2CCCc3cc4c(nc32)[C@@H](C2=CCCCC2)CCC4)CCCC1 4936230 SRAWZEJLBFCRCG-DHIUTWEWSA-N 347.546 6.922 0 40 EKAB CC1(C)Cc2c(ccc3ccccc23)C(COCc2ccccc2)=N1 5614238 UZLADFMMTYRZHN-UHFFFAOYSA-N 329.443 5.180 0 40 EKAB Cc1cc(C)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c(Cl)c1 5938561 IDRJQRWOJRPNFF-UHFFFAOYSA-N 341.760 5.157 0 40 EKAB Cc1ccccc1NC(=S)N[C@@H](C)c1ccc(CC(C)C)cc1 7584676 ZGTIWQRULFBTLN-INIZCTEOSA-N 326.509 5.241 0 40 EKAB CC[C@H](C)NCc1cc(Cl)ccc1OCc1ccccc1Cl 8326698 SFWPQEVIBSKKPW-ZDUSSCGKSA-N 338.278 5.461 0 40 EKAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1C(C)C 12762194 QKXGANDZELRCCH-UHFFFAOYSA-N 330.431 5.433 0 40 EKAB Cc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1C 12889857 UDVVHSRUOFLFFN-UHFFFAOYSA-N 328.462 5.049 0 40 EKAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)C1(C)C 16138642 INODLQKPSMXPAZ-WOJBJXKFSA-N 347.458 5.095 0 40 EKAB O=C(Sc1ccc(Cl)cc1)c1ccccc1Br 16713868 AKIIIDNLWNRDCZ-UHFFFAOYSA-N 327.630 5.035 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 20238542 WJJZFJJHGFZWAK-LLVKDONJSA-N 340.275 5.421 0 40 EKAB C[C@H](CCc1ccccc1)NC(=O)c1sccc1-c1ccccc1 32999956 YUYBUFKKILXKLX-MRXNPFEDSA-N 335.472 5.166 0 40 EKAB Nc1c(Cl)cc(Cl)cc1-c1nc2c(Cl)ccc(Cl)c2[nH]1 73634785 IGYSSCLEZUIIJU-UHFFFAOYSA-N 347.032 5.426 0 40 EKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1c(Cl)cccc1Cl 78529208 WPIRVDLASFJNOB-OAHLLOKOSA-N 338.234 5.098 0 40 EKAB C1CCCCCC2(CCCCC1)NCC1(O2)C2CC3CC(C2)CC1C3 98174870 YVWGUVBUXQOVQP-UHFFFAOYSA-N 345.571 5.802 0 40 EKAB O=C(Nc1cccc2ccccc12)C1[C@H]2CCC[C@H]1C2c1ccccc1 100547430 IKCGIWILPRYZKB-LHAJZYKRSA-N 341.454 5.608 0 40 EKAB C[C@H]1CCC[C@H](C)N1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 216841928 OXQIOKVGJVBTHD-GJZGRUSLSA-N 338.426 5.397 0 40 EKAB CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219650764 ACCMJESPIKDOLF-SFHVURJKSA-N 327.493 5.297 0 40 EKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc2ccccc12 222944988 BPSRMONJKLOJJB-FQEVSTJZSA-N 333.431 5.253 0 40 EKAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1 222958040 QRHFCHVAERMNNO-FQEVSTJZSA-N 339.479 5.442 0 40 EKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc2ccccc2c1 225321914 CQDLQMSUBXPMIT-UHFFFAOYSA-N 344.241 5.718 0 40 EKAB Cc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1C 225658135 SWHUOVMIQWXFSW-QGZVFWFLSA-N 340.536 5.346 0 40 EKAB Cc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1 409043624 SGNQFARWWORPOS-UHFFFAOYSA-N 349.286 6.477 0 40 EKAB CC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)C)ccc2O)c1 1641184 KERJVHXRZDUVKQ-UHFFFAOYSA-N 330.493 5.844 0 40 EKAB CCCCCNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 2093024 FRYLXYIIKNXPBG-UHFFFAOYSA-N 332.447 5.130 0 40 EKAB Cc1cc(C)cc(-c2c(C3=NC(C)(C)CO3)ccc3ccccc23)c1 2557008 GCDYLOAUWQTSFQ-UHFFFAOYSA-N 329.443 5.679 0 40 EKAB Cc1ccc(-c2nc3ncccn3c2Nc2ccc(C)c(Cl)c2)cc1 4735181 BQEKXGQKKWEENX-UHFFFAOYSA-N 348.837 5.410 0 40 EKAB Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccccc1 6186021 YKRAPPINSORBCL-UHFFFAOYSA-N 335.259 6.169 0 40 EKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)oc2c1 6776878 KQEVTEDUVQGKKG-UHFFFAOYSA-N 346.361 5.195 0 40 EKAB Cc1nc(SCc2ncc(-c3ccc(Cl)cc3)o2)nc(C)c1C 8750249 KJDMQDLKWWHMGD-UHFFFAOYSA-N 345.855 5.003 0 40 EKAB CC[C@@H]1CN(Cc2ccccc2)Cc2cc3c(C)ccc(C)c3nc2O1 13563715 MWGIWBHULNQAHW-HXUWFJFHSA-N 346.474 5.025 0 40 EKAB CC(C)(C)c1ccc2c(Cl)c(C(=O)NCc3ccco3)sc2c1 26688074 KMUYZUWGFDSGML-UHFFFAOYSA-N 347.867 5.375 0 40 EKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCCc2ccccc21 32760879 YQUMNCLGTLEORB-KXBFYZLASA-N 333.431 5.072 0 40 EKAB c1ccc(C(NCc2csc(C3CCCC3)n2)c2ccccc2)cc1 63993099 PJRBLDZPDJMCCA-UHFFFAOYSA-N 348.515 5.680 0 40 EKAB Ic1cccc2cccc(-c3ccccc3)c12 71256598 JKEOWGMQYOZBTL-UHFFFAOYSA-N 330.168 5.111 0 40 EKAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2cc(Cl)cc(Cl)c2n1 78401699 HROKMCVFCPUBEF-UHFFFAOYSA-N 347.201 5.292 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224144209 JXXSEUHLHPPCBD-UHFFFAOYSA-N 345.442 5.045 0 40 EKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C)c1 225652491 JOOAANDJDGUQKH-FQEVSTJZSA-N 335.488 5.098 0 40 EKAB Clc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)c(Cl)c1 226247786 CYGUUJYNESVCMT-UHFFFAOYSA-N 329.186 5.592 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 245333862 BJQLPOYHBJQLJD-TUKVWLODSA-N 343.898 5.916 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1F 97984 MUOAJKCUMLMZDT-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCC[C@H]1CCC[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1 2220062 OUDRMHUSSDYGOS-ROUUACIJSA-N 336.475 6.516 0 40 EKAB CCCCC[C@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2734303 JEBXGQMNQADRHC-PXNSSMCTSA-N 341.520 5.605 0 40 EKAB Cc1ccc(NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4602932 NOCWDIAUSVWKRN-UHFFFAOYSA-N 345.486 5.715 0 40 EKAB CCCCc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 5421508 WJNJWBAUFISOSL-UHFFFAOYSA-N 325.452 5.170 0 40 EKAB CC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6201846 ANAMDWGJXBYJEB-FASNLENTSA-N 326.480 5.032 0 40 EKAB O=C(NC1CCCCCC1)c1ccccc1SCc1ccccc1 7684819 FFNXJLJUTKPLJR-UHFFFAOYSA-N 339.504 5.432 0 40 EKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc(C)c1Cl 14401682 IFIMYZXFGUNHNW-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB Clc1ccc(-c2ccnc(-c3cc(Cl)cc(Cl)c3)n2)cc1 16429588 NTTUZNRNVQJQJJ-UHFFFAOYSA-N 335.621 5.771 0 40 EKAB Cc1cccc2c(C(=O)O)c3c(nc12)CCCCCCCCCC3 19841905 OUCODNTWDQIUDY-UHFFFAOYSA-N 325.452 5.461 0 40 EKAB Cc1cc2nc(-c3ccc(Cl)cc3)oc2c(Br)c1C 20156796 PYCZBKNYIZRZOM-UHFFFAOYSA-N 336.616 5.528 0 40 EKAB CCCc1sc(NC(=O)c2cccs2)nc1-c1ccccc1 21005985 XKTFYNJYWXFECZ-UHFFFAOYSA-N 328.462 5.076 0 40 EKAB O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccccc1)c1ccccc1 28219562 QSTOALQONOKIOP-JJIBRWJFSA-N 349.433 6.019 0 40 EKAB N=C(S)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 34856970 HOPJYLKOMWOWSH-NUAJHHBDSA-N 347.487 5.148 0 40 EKAB Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)nc3ccccn23)c1 35616302 QTKIENWKQBISSQ-UHFFFAOYSA-N 329.403 5.067 0 40 EKAB CCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 36621067 YVCZQDHFMKTTLO-GOSISDBHSA-N 328.843 5.271 0 40 EKAB C[C@@]12CC3CC(C(=O)Nc4nc5ccccc5s4)(C1)C[C@@](C)(C3)C2 101024204 AWXOMXZGBCOYRJ-LEVRYPNCSA-N 340.492 5.231 0 40 EKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(C)cccc1C 113951514 YRRSJEKPYKGLNW-HXUWFJFHSA-N 333.431 5.253 0 40 EKAB Brc1cccc(-n2c(-c3ccccc3)nc3ccccc32)c1 141596953 XFQUMMGPGWTPOT-UHFFFAOYSA-N 349.231 5.455 0 40 EKAB CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)cc(C)cc1C 334156926 BFQKIUCPOZHCLR-UHFFFAOYSA-N 336.504 5.703 0 40 EKAB CCCCN1C(=O)S/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O 409127337 JCFGQEPXSWLNLY-ATVHPVEESA-N 346.496 5.056 0 40 EKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1ccccn1 86495 UJFMPPQBXPJKAX-OAQYLSRUSA-N 347.849 5.726 0 40 EKAB Cc1cc(C)cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 95042 BLLRELSXVHXALJ-UHFFFAOYSA-N 340.810 5.173 0 40 EKAB Cc1ccc(C(=O)c2ccc3c(c2)CC(=O)c2ccccc2S3)cc1 347357 OTDRKRZIXNULPR-UHFFFAOYSA-N 344.435 5.116 0 40 EKAB Clc1ccccc1CSc1nnc(-c2ccccc2Cl)o1 411604 PGIRYEQXNCGUEJ-UHFFFAOYSA-N 337.231 5.336 0 40 EKAB COc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 1244177 YGLWROSZTNRXEA-NRFANRHFSA-N 348.446 5.567 0 40 EKAB CCCCn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 2205273 XGRMWLKXNYHONP-UHFFFAOYSA-N 336.479 5.847 0 40 EKAB Cc1cccc(C)c1NC(=O)CSCc1cccc2ccccc12 3057030 ZUXXIVPICGWBDB-UHFFFAOYSA-N 335.472 5.329 0 40 EKAB CCOc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 3894782 YTRULUGECUHHFM-XNTDXEJSSA-N 341.410 6.064 0 40 EKAB C[C@@H]1CC[C@@H]2c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 3999058 MIAAJFLJFWAPKY-VGOFRKELSA-N 330.475 5.019 0 40 EKAB biogenic O=C(c1ccco1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 4373797 ZELKVBCDHILATF-KPFFTGBYSA-N 343.854 5.035 0 40 EKAB CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=N)oc2c1 4656547 RHWZWROXRRZLFH-UHFFFAOYSA-N 349.459 5.035 0 40 EKAB Cc1nc(Nc2cc(Cl)cc(Cl)c2)c2oc3ccccc3c2n1 5217058 OLJRKNBMFMIKFW-UHFFFAOYSA-N 344.201 5.735 0 40 EKAB CC(C)(C)c1ccc(-c2csc(Nc3ccccc3Cl)n2)cc1 5380058 PTQHXCZMVVOGKO-UHFFFAOYSA-N 342.895 6.505 0 40 EKAB COc1ccccc1Nc1ccc2c(=O)c(-c3ccccc3)coc2c1 6672241 FXKBDGIMFITRAQ-UHFFFAOYSA-N 343.382 5.212 0 40 EKAB Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Cl)cc2)o1 8917416 CXCUHQBEQHQXSU-UHFFFAOYSA-N 344.798 5.069 0 40 EKAB Cc1cs/c(=N\c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 12524106 CJEWTGRSNCCLKG-MNDPQUGUSA-N 335.259 5.386 0 40 EKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(Cl)cc1 12996779 VGHODKWUDCEUJJ-UHFFFAOYSA-N 334.853 5.086 0 40 EKAB C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc2ccccc2c1 13003607 DYQNXSHEWSKXLU-ZDUSSCGKSA-N 341.813 5.052 0 40 EKAB CC[C@H](C)c1ccccc1O[C@@H](C)CNc1c(C)cc(C)cc1C 19737720 IIKAIDKYHFUSSI-LPHOPBHVSA-N 325.496 6.005 0 40 EKAB O=C(NC1(c2ccccc2)CCC1)C(c1ccccc1)c1ccccc1 24977486 APMBEPMIOVYQES-UHFFFAOYSA-N 341.454 5.014 0 40 EKAB Cc1cccc(-c2nn3c(Nc4ccccc4)cc(C)nc3c2C)c1 40216762 WZJMKCXEAQGNRF-UHFFFAOYSA-N 328.419 5.065 0 40 EKAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)c1 44948368 KKCZSDRFAOFYOI-MRZGDXHCSA-N 348.273 5.501 0 40 EKAB Cc1cc(NC(=S)Nc2cccc(Cl)c2Cl)ccc1F 71326139 ZNOVKZMGAWGDJX-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCC(CC)(NCc1csc(C(C)C)n1)c1ccc(Cl)cc1 75582841 BSZYFRGLTDZEIX-UHFFFAOYSA-N 336.932 5.725 0 40 EKAB Cc1ccc(/N=c2\scc(C(C)(C)C)n2-c2ccccc2)c(C)c1 101143412 SQVJJHTZBHZSIR-XDOYNYLZSA-N 336.504 5.686 0 40 EKAB Clc1ccccc1-c1nc2cc(CNC3CCCC3)ccc2o1 216798665 RLWHDYUCWFMNRI-UHFFFAOYSA-N 326.827 5.180 0 40 EKAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225542990 SSURCNRMLWWFQL-UHFFFAOYSA-N 337.463 5.153 0 40 EKAB CCOc1ccc2nc(SCc3c(F)cccc3F)sc2c1 64254 NIBHBCCQLIZOBL-UHFFFAOYSA-N 337.416 5.266 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1ccccn1 86499 UJFMPPQBXPJKAX-NRFANRHFSA-N 347.849 5.726 0 40 EKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccc(O)cc3)o2)cc1 411383 KKHAALYHCPTGSV-UHFFFAOYSA-N 340.448 5.032 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 484445 FHHKHZPAIRPKTO-UHFFFAOYSA-N 345.442 6.029 0 40 EKAB Cc1s/c(=N\c2cccc(C(F)(F)F)c2)n(C)c1-c1ccccc1 1466224 KFUZUHLUYLBDGY-XLNRJJMWSA-N 348.393 5.313 0 40 EKAB CCCCCC(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 4184151 IECYJWJXWSMSHL-UHFFFAOYSA-N 336.435 5.630 0 40 EKAB O=C(Nc1cccc2ccccc12)/C(=C/c1ccco1)c1ccccc1 4472026 QAXOOWDGOHSDDN-LTGZKZEYSA-N 339.394 5.612 0 40 EKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(-c2cccs2)o1 5459017 SSEJHUHZEWMJTC-QMMMGPOBSA-N 341.219 5.245 0 40 EKAB COc1ccc(Nc2ccccc2NC(=O)c2cc(C)ccc2C)cc1 6653812 USQSGFFKYPSNNX-UHFFFAOYSA-N 346.430 5.308 0 40 EKAB CC[C@H](c1ccccc1)c1nc(-c2ccc(Br)cc2)no1 7781436 OJUSRIXWYGYCMZ-OAHLLOKOSA-N 343.224 5.041 0 40 EKAB C[C@H](c1ccc(F)cc1)N(C)Cc1cc2ccccc2nc1Cl 12971892 OIIKGQUOJWSHBB-CYBMUJFWSA-N 328.818 5.220 0 40 EKAB Cc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 13937641 UEIQGNLJJYGWLW-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccccc2)o1 49548288 FENZDRMFILRNGR-AWEZNQCLSA-N 335.407 5.022 0 40 EKAB CC[n+]1c(/C=C/Nc2ccccc2)oc2ccc(-c3ccccc3)cc21 100288714 BLMQPFNXVFXTEM-UHFFFAOYSA-O 341.434 5.490 0 40 EKAB Cc1ccc([C@H](C)NC(=O)c2ccccc2SC(C)C)c(C)c1 113958954 MYWILARKRSQGLW-INIZCTEOSA-N 327.493 5.295 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223401662 XPTQHWCMDGYJNN-ROUUACIJSA-N 341.520 5.278 0 40 EKAB CC(C)c1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225045551 PVIHZRJFJDGNLB-FQEVSTJZSA-N 340.463 5.182 0 40 EKAB CCc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1 225492610 PZHSKBNOGVIQDS-LJQANCHMSA-N 326.509 5.323 0 40 EKAB CCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225694723 DWKSJVNODIXCDN-OXQOHEQNSA-N 335.488 5.015 0 40 EKAB COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)c2ccccc12 225942343 RPUFYICHHYAOMS-UHFFFAOYSA-N 333.431 5.056 0 40 EKAB Cc1ccccc1COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 83693 BDJGABXUXBTOBV-UHFFFAOYSA-N 338.403 5.194 0 40 EKAB biogenic COc1ccc(C2=C[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 207483 TVVHDBXVWHQOSZ-FQEVSTJZSA-N 332.374 5.400 0 40 EKAB C/C(Cl)=C\Cc1c(C)nc2ccc(Br)cc2c1Cl 345864 KSPYEZGBKWOSIC-FPYGCLRLSA-N 345.067 5.644 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1Cl 364215 OPRSYNBIKOQAFT-HNNXBMFYSA-N 329.871 5.589 0 40 EKAB Cc1c(-c2cc(=O)oc3cc4c(cc23)CCCC4)oc2ccccc12 490371 MGDACAJXVFWMJD-UHFFFAOYSA-N 330.383 5.393 0 40 EKAB biogenic CCOC(=O)c1c(C)n(C(C)C)c2c1cc(OCC)c1ccccc12 571248 NQMNJFAACGOEQO-UHFFFAOYSA-N 339.435 5.259 0 40 EKAB COc1cccc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1 1281073 LNEALHUVMZVLHF-JOCHJYFZSA-N 343.430 5.081 0 40 EKAB Cc1ccc(OC/C=C/CSc2ccc(Br)cc2)cc1 1578919 VOAFFFSPOKYJMG-NSCUHMNNSA-N 349.293 5.485 0 40 EKAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2s1 2625168 XLRKQGWJRMISGT-UHFFFAOYSA-N 343.473 5.190 0 40 EKAB c1ccc2c(c1)Cc1ccc(-c3csc(NC4CCCC4)n3)cc1-2 2646515 ASIXFKVDNLCTDW-UHFFFAOYSA-N 332.472 5.736 0 40 EKAB CCN(CC)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2741773 CJUCLXIDUNZAIU-UHFFFAOYSA-N 344.867 5.099 0 40 EKAB C[C@H]1CCc2sc(C(=O)Oc3cccc(Cl)c3Cl)cc2C1 3364877 IDLRIOFAIOHIGS-VIFPVBQESA-N 341.259 5.399 0 40 EKAB CC(C)c1ccccc1NC(=O)CSc1ccc2ccccc2c1 4886804 YYMHHNJRZWHYPP-UHFFFAOYSA-N 335.472 5.694 0 40 EKAB CCCCc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 6342773 PHLLTPZXEFZPSY-UHFFFAOYSA-N 344.867 5.545 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OCCC 6756119 FVYDLXGAUHZBJE-WIEQBXDCSA-N 346.555 7.085 0 40 EKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2ccccc2c1 6865048 GQHJMMIHMQIMRL-UHFFFAOYSA-N 348.402 5.355 0 40 EKAB C[C@H]1CCCC[C@H]1NC(=O)N1c2ccccc2Sc2ccccc21 13574654 GHHWPJMKJUWQOB-LSDHHAIUSA-N 338.476 5.578 0 40 EKAB Cc1ccc(C)c(NCc2cccc(OCCOc3ccccc3)c2)c1 19737792 GJSCDZIUIGQTIP-UHFFFAOYSA-N 347.458 5.373 0 40 EKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C)c3C)o2)cc1 30810997 ZZEVJFQIOFANAX-UHFFFAOYSA-N 335.403 5.036 0 40 EKAB CCCCCCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210424 BMSXBNOKNPINNA-UHFFFAOYSA-N 344.476 5.147 0 40 EKAB O=C(Nc1ccccc1)c1scc(-c2ccccc2)c1-n1cccc1 44166415 QWRKHTZARIGCQJ-UHFFFAOYSA-N 344.439 5.458 0 40 EKAB CC(C)CN1CCCC[C@@H]1c1cccnc1SC1CCCCC1 72217323 IFUIFOHWOAOTQB-LJQANCHMSA-N 332.557 5.689 0 40 EKAB COc1cc(C=O)ccc1OCc1c(Cl)cc(Cl)cc1Cl 95098644 ZMJJYTRBDXTJBV-UHFFFAOYSA-N 345.609 5.047 0 40 EKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Cl)c(C(F)(F)F)c1 102315113 XRXCJAUKWJDVQN-GARJFASQSA-N 331.765 5.124 0 40 EKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC 106956890 TUJSJCLYFQTWCP-UHFFFAOYSA-N 340.250 5.403 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223136414 XDBBLTXVCJWXIX-MRXNPFEDSA-N 337.463 5.095 0 40 EKAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 224300066 CQOZBFYTKCYZCO-QFIPXVFZSA-N 329.443 5.131 0 40 EKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)C3CCCC3)c2)cc1 225214134 ZYSWCMNWUFAGIR-UHFFFAOYSA-N 349.474 5.344 0 40 EKAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225794219 IZQPZDGNZDWNND-OAQYLSRUSA-N 343.467 5.017 0 40 EKAB O=C(CSc1ccc2ccccc2c1)Nc1ccccc1C(F)F 408542982 MCDKEMBLAWCEPD-UHFFFAOYSA-N 343.398 5.508 0 40 EKAB CCCc1sc(NC(=O)c2ccccc2)nc1-c1ccc(C)cc1 408833758 UVNSGAVPJSIBFO-UHFFFAOYSA-N 336.460 5.323 0 40 EKAB Fc1cnc(Nc2ccc(Cl)cc2)nc1Nc1ccc(Cl)cc1 310878 QBLQYKNCOFDNHT-UHFFFAOYSA-N 349.196 5.410 0 40 EKAB O=C1C[C@H](c2nc(-c3ccc(Cl)cc3)cs2)C2(CCCCC2)O1 495456 YHORLPLVXDUJFM-CQSZACIVSA-N 347.867 5.197 0 40 EKAB COc1ccc(Oc2cccc3c2[C@H](O)C[C@H]3c2ccccc2)cc1 1383491 ZSESMMUNDVHDRD-VQTJNVASSA-N 332.399 5.057 0 40 EKAB CCOc1ccc2c(C)c(-c3ccc(Cl)cc3Cl)c(=O)oc2c1 2576888 WDBKGIQPMDXHHA-UHFFFAOYSA-N 349.213 5.474 0 40 EKAB biogenic CC[C@H](C)c1cc(/C=C2/OC(=O)c3ccccc32)cc(C(C)C)c1O 4655728 FMULPEQWVYLEJY-PVGUKEHMSA-N 336.431 5.698 0 40 EKAB CC(C)(C)c1ccc(OCCSc2nc3ccccc3s2)cc1 5196188 ZEFXCJZSKFOLKZ-UHFFFAOYSA-N 343.517 5.765 0 40 EKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 6249446 ZENUAQNDZAGFAR-VIFPVBQESA-N 344.625 5.053 0 40 EKAB Cc1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)sc2cc1C 6904040 CJXCBMDJIBCAET-VMPITWQZSA-N 333.378 6.102 0 40 EKAB CCCCC1CCC(CCc2ccc(-c3ccccc3)c(F)c2)CC1 8383540 XIUCWIOINYIWEH-UHFFFAOYSA-N 338.510 7.422 0 40 EKAB Clc1ccc2nc(Nc3ccncc3)nc(-c3ccccc3)c2c1 8436357 OIEXACFQFYAQGJ-UHFFFAOYSA-N 332.794 5.089 0 40 EKAB CN(Cc1ccccc1)C(=O)c1ccccc1SCc1ccccc1 10326608 MLJSGSKNCNYBTP-UHFFFAOYSA-N 347.483 5.251 0 40 EKAB COc1ccc(CSc2nc3cc(Cl)ccc3s2)cc1F 12577888 MWYBCODZDLTVTC-UHFFFAOYSA-N 339.844 5.390 0 40 EKAB Cc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 17067931 QCIQQTHFKAAYSZ-CQSZACIVSA-N 330.859 5.655 0 40 EKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CC(C)(C)C3)cc1 20672039 PTHFGWRQEWFRAL-UHFFFAOYSA-N 345.446 5.079 0 40 EKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(F)c2)c1 51331135 QFWROQXHORHFMR-NRFANRHFSA-N 346.405 5.214 0 40 EKAB Cc1cccc(C)c1NC(=O)CCCSCc1ncc(C(C)C)o1 85228184 WPFJDKOPZLGMSQ-UHFFFAOYSA-N 346.496 5.067 0 40 EKAB Clc1ccc(CSCc2csc([C@H]3CCCO3)n2)cc1 95975901 JKBWYAIEDPXNAK-CQSZACIVSA-N 325.886 5.081 0 40 EKAB C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102384653 WKCHJURXJMZKAJ-DQTJMLIDSA-N 341.445 5.469 0 40 EKAB CCCCc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224974558 ZPLBCHQLGLXATH-UHFFFAOYSA-N 343.470 5.877 0 40 EKAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 225115591 HMFLORQLRRIEAL-LAUBAEHRSA-N 345.527 5.055 0 40 EKAB C[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 225281511 FRMSJDPSGOWUQQ-OAHLLOKOSA-N 340.492 5.056 0 40 EKAB C[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(C(C)(C)C)cc1 225406317 QVUKEHCQZFUIKV-LBPRGKRZSA-N 348.462 5.310 0 40 EKAB Cc1nc2ccc(NC(=S)N(C)c3ccc(C)c(C)c3)cc2s1 408979884 SVRIITJDWNOAAD-UHFFFAOYSA-N 341.505 5.055 0 40 EKAB CCC[C@H](C)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358952 JNXKSDVPQXIBHL-IBGZPJMESA-N 343.470 6.775 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl 260825 VNAJQDUFRDHBGX-UHFFFAOYSA-N 334.124 5.265 0 40 EKAB CC(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 483299 JVHSMSZXKQMZJQ-UHFFFAOYSA-N 331.415 5.855 0 40 EKAB Cc1cc(C)c(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)cc1C 4153320 ZPRHWSSBNDVNHQ-OAQYLSRUSA-N 330.431 5.561 0 40 EKAB COCc1c(C(=O)Nc2cccc(C)c2C)sc2cccc(F)c12 5403506 WJPRBLCGBPBTOW-UHFFFAOYSA-N 343.423 5.056 0 40 EKAB CCCCc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 5597412 INGKQIMPXKAEDW-UHFFFAOYSA-N 342.489 5.467 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)sc2c1 6279399 VAUGBMXXROJOQF-UHFFFAOYSA-N 343.879 6.239 0 40 EKAB C[C@@H]1CCc2c(sc3nc4c(c(-c5ccco5)c23)C[C@H](C)CC4)C1 12610108 KUJNNBUZCIDGIB-CHWSQXEVSA-N 337.488 5.806 0 40 EKAB Cc1cccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)n1 13739594 RVUUZCSUTALCBW-JZJYNLBNSA-N 339.489 5.073 0 40 EKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)cc(Cl)c1 14784521 SFGDMUMPZVHUCW-UHFFFAOYSA-N 335.017 5.553 0 40 EKAB Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)co1 32776578 UDCPMVCYQLPCEP-UHFFFAOYSA-N 347.201 5.209 0 40 EKAB CCCN(Cc1ccsc1)C(=O)NCc1cccc2ccccc12 44447409 ZJLSYQDOXHYMHI-UHFFFAOYSA-N 338.476 5.023 0 40 EKAB Cc1nc(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2oc3ccccc3c2n1 101112672 GHZQQHKRGDMUHI-LHSJRXKWSA-N 335.451 5.089 0 40 EKAB O=C1/C(=C/c2ccccc2Cl)c2ccccc2N1c1ccccc1 136393886 CZJMGBONLOUHAL-NBVRZTHBSA-N 331.802 5.559 0 40 EKAB CCCCOc1ccc2c(c1)c(C=O)c(C)n2CCc1ccccc1 217773814 ITXWKNCOZMNXKN-UHFFFAOYSA-N 335.447 5.184 0 40 EKAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1Oc1ccccc1 223311679 MOZQRWYXFUWCHH-UHFFFAOYSA-N 337.806 5.314 0 40 EKAB CCOc1c(Cl)cc(Cl)cc1CNc1cc(Cl)ccc1C 409110572 FDIYUNMZYFLNBH-UHFFFAOYSA-N 344.669 5.966 0 40 EKAB O=C(C[C@H](Sc1ccccc1)c1ccco1)c1ccc(Cl)cc1 64797 MZLMVODCMKCXMM-IBGZPJMESA-N 342.847 6.039 0 40 EKAB Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)cc3C)n2)c(C)c1 245064 RKCSEXIHMPENAW-UHFFFAOYSA-N 336.414 5.337 0 40 EKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccco2)cc1 4589889 WCDQLJIRKFNIOF-UHFFFAOYSA-N 331.293 5.218 0 40 EKAB O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc2ccccc2c1 4599382 GSHRGGORHYOEGZ-UHFFFAOYSA-N 340.382 5.279 0 40 EKAB Fc1ccccc1Cc1cn2cc(-c3ccc(Cl)cc3)nc2s1 5020441 CPNCEHAPYQLZMK-UHFFFAOYSA-N 342.826 5.446 0 40 EKAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N(C)c3ccccc32)cc1 5337446 OBCXKHUVDBAFEJ-HXUWFJFHSA-N 342.442 5.041 0 40 EKAB CCCC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 6026134 HQLMPCVLSLSZDV-UHFFFAOYSA-N 341.838 5.357 0 40 EKAB Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 6216827 OBKCSNGKMAJDJJ-UHFFFAOYSA-N 342.851 5.333 0 40 EKAB CCCCCCNCc1ccc(OCc2cccs2)c(OCC)c1 7261031 LVBCEHXDOLWATI-UHFFFAOYSA-N 347.524 5.396 0 40 EKAB Clc1ccc2nc(NCc3ccco3)nc(-c3ccccc3)c2c1 8156574 YTRHRIXDVHVHJJ-UHFFFAOYSA-N 335.794 5.155 0 40 EKAB O=C(c1c[nH]c2ccccc12)[C@@H](Nc1ccc(F)cc1)c1ccccc1 8225766 PXMZHPQCUDWDKD-NRFANRHFSA-N 344.389 5.343 0 40 EKAB Clc1ccc(OCc2ccccc2)c(CNC2CCCCCC2)c1 16480508 KONYMHFYNZVLLL-UHFFFAOYSA-N 343.898 5.731 0 40 EKAB CCOc1ccc(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1 26897469 IFDSHQFYIWTLMI-UHFFFAOYSA-N 336.818 5.637 0 40 EKAB C/C=C/c1ccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)c1 33004179 VHKIPRXSXCHCQZ-ITKZLYELSA-N 342.826 5.398 0 40 EKAB biogenic O=C(O)CC/C(=C/c1ccccc1Cl)c1nc2ccccc2s1 33853295 HSYFDTHJVYUOEP-QBFSEMIESA-N 343.835 5.355 0 40 EKAB Clc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c1Cl 85345323 ZSJJZAPAYWLGPX-UHFFFAOYSA-N 329.186 5.797 0 40 EKAB Cc1ccc([C@@H]2C(O)=C(c3ccccc3)Sc3ccc(C)cc32)cc1 104256747 FNZJQGAFOWUXBH-NRFANRHFSA-N 344.479 6.468 0 40 EKAB O=C1/C(=C/c2ccc(Cl)cc2)c2ccccc2N1c1ccccc1 136393843 ZMKCNROFHWTGBN-XMHGGMMESA-N 331.802 5.559 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 222939080 JMKNGOAWEDMGQU-AWEZNQCLSA-N 331.843 5.178 0 40 EKAB Cc1ccc(SCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223402001 IIPIAFLUPCKAFX-GOSISDBHSA-N 341.520 5.280 0 40 EKAB CC1(C)Oc2cccc(O)c2[C@H]2O[C@@H](CCc3ccccc3)CC[C@@H]21 257312798 UPNIZDHYJPKVBJ-FIKGOQFSSA-N 338.447 5.032 0 40 EKAB Cc1ccc(NCc2ccccc2OCc2cccc(F)c2)c(C)c1 409119485 PKUWTBASBACIME-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1CC2 1405583 QTVCYBQCSZNORM-UHFFFAOYSA-N 339.847 5.419 0 40 EKAB O=C(c1ccc(Br)cc1)c1ccc2c(c1)Cc1ccccc1-2 2159202 GVNHOJQTVWBORS-UHFFFAOYSA-N 349.227 5.251 0 40 EKAB Cc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2Cl)cc1 7652091 JPTWMJXBDMSCDG-UHFFFAOYSA-N 338.234 5.100 0 40 EKAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1C 8041021 RSLPUIHLKQVZGC-GFCCVEGCSA-N 338.234 5.016 0 40 EKAB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc2ccccc2c1 8560675 OXNJNPQNHIIPNE-UHFFFAOYSA-N 338.819 5.355 0 40 EKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)C(C)(C)C)c3)nc2c1 14257941 QCTAIIRXZMDDAD-UHFFFAOYSA-N 336.435 5.603 0 40 EKAB O=C1N=C2C(=C(O)c3ccccc32)[C@@H](c2ccc(Cl)cc2)S1 17208866 ZUBCNQDYTAAYJH-MRXNPFEDSA-N 327.792 5.020 0 40 EKAB CCSc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 20456249 FRCVUSJAHPYSNW-OBGWFSINSA-N 349.455 5.571 0 40 EKAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 38755040 APNJUQIERXLUDJ-ROUUACIJSA-N 339.479 5.072 0 40 EKAB c1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1 90751760 DZRDATNLTUIPAY-UHFFFAOYSA-N 334.422 6.527 0 40 EKAB Fc1ccc(Br)c(CSc2ccc(F)c(Cl)c2)c1 95733333 FMKCVWXFKQPOLG-UHFFFAOYSA-N 349.627 5.673 0 40 EKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C(C)C[C@]4(C)[C@H]3CC[C@@]21C 118923514 BNUOBHYLRSENSB-JASYKLOUSA-N 330.512 5.517 0 40 EKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2ccccc2c1 225757921 FVWLSAMTDPEDSY-INIZCTEOSA-N 345.442 5.125 0 40 EKAB Oc1nc(-c2c(F)cccc2Cl)nc2sc3c(c12)CCCCC3 408992218 SKMJKWAXIGPNFT-UHFFFAOYSA-N 348.830 5.125 0 40 EKAB Fc1cccc(COc2ccc(CNc3ccccc3Cl)cc2)c1 409181446 AIAOLLUMCMSFLH-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB c1ccc(-c2nc(-c3nc4ccccc4[nH]3)[nH]c2-c2ccccc2)cc1 35325 NPZTYVJNFQTBOD-UHFFFAOYSA-N 336.398 5.287 0 40 EKAB Fc1ccccc1-c1nc(Nc2ccccc2Cl)c2ccccc2n1 2215527 VIRKINOFRIWZFR-UHFFFAOYSA-N 349.796 5.833 0 40 EKAB COc1cc2c(cc1NC(=O)/C=C/c1ccc(C)o1)oc1ccccc12 3566999 HBEUALMAJJUSFX-MDZDMXLPSA-N 347.370 5.148 0 40 EKAB CCC(CC)[C@H]1Nc2c(C(=O)O)cc(Cl)cc2[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 4722544 CQASREBRZYVQSE-ZQJAEHDGSA-N 347.886 5.398 0 40 EKAB c1ccc(CCCNc2nnc(-c3ccccc3)c3ccccc23)cc1 6085733 LPAJFFWQZHLWRK-UHFFFAOYSA-N 339.442 5.342 0 40 EKAB CC[C@@H](C)c1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1 6786934 SRIBVKNBFZIRFW-SNVBAGLBSA-N 338.234 5.465 0 40 EKAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc(Cl)c1 7944709 WAVJKBNEEXGRIY-UHFFFAOYSA-N 337.806 5.095 0 40 EKAB Cc1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 10337837 OVBUEOPMGCNBME-UHFFFAOYSA-N 345.442 5.145 0 40 EKAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1c(C)cccc1C(C)C)C2 11429255 KQLCUBJHSLRYIX-GOSISDBHSA-N 325.477 5.082 0 40 EKAB CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ccco3)n2)cc1 12735276 ZTRJXPZOAQDHMC-UHFFFAOYSA-N 326.421 5.055 0 40 EKAB O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)C1CC1 12940798 BCBVNSOZEAWQKL-UHFFFAOYSA-N 341.454 5.087 0 40 EKAB CCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13030863 IWRDPHIBMQGGSG-IBGZPJMESA-N 348.534 6.577 0 40 EKAB Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 13616329 WTPHVBRBJJLSKL-UNMCSNQZSA-N 344.389 5.068 0 40 EKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1 14258045 SDMGDBAXIFNYSD-UHFFFAOYSA-N 334.400 5.117 0 40 EKAB Cc1ccc(-c2nnc(N3C[C@@H](C)C[C@@H](C)C3)c3ccccc23)cc1 17824769 VFIHIDDHUNPHEZ-CALCHBBNSA-N 331.463 5.088 0 40 EKAB CC(C)(C)[C@@]1(c2ccccc2)NC(=O)SC2(CCCCC2)S1 28293928 QKNMVAPNIFXKOI-SFHVURJKSA-N 335.538 5.736 0 40 EKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 30866384 JCYOVFLFKGDMEL-MOPGFXCFSA-N 345.870 5.073 0 40 EKAB CC(C)=CCC[C@H](C)CCNC1CCN(Cc2ccccc2)CC1 34863235 FYIKXLUYUAQQLO-FQEVSTJZSA-N 328.544 5.013 0 40 EKAB COc1ccc2oc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2c1 41156478 JATTZWIZSDPVSH-UHFFFAOYSA-N 349.308 5.021 0 40 EKAB O=C(CCSc1ccc(Cl)cc1)NC1CCCCCCC1 59290366 KGIGYPOBNCUZDS-UHFFFAOYSA-N 325.905 5.051 0 40 EKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219597213 JZRWPBZGJFITCC-RTWAWAEBSA-N 339.479 5.037 0 40 EKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)cc1 224897801 OUQQMEGNVWCOHQ-OVCLIPMQSA-N 348.490 5.236 0 40 EKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)CC(C)(C)C 225106945 NAMIEGQBVHUPTR-IBGZPJMESA-N 345.527 5.054 0 40 EKAB Cc1cccc([C@H](NC(=O)Cc2cccc(Cl)c2)c2ccccc2)c1 225749663 SZTCCYDSIVAUCM-JOCHJYFZSA-N 349.861 5.097 0 40 EKAB Cc1ccc(C)c(OCC(=O)Nc2c(C)cccc2C(C)C)c1C 144547 WNYKROOCLNGFTB-UHFFFAOYSA-N 325.452 5.061 0 40 EKAB Cc1ccc(-c2ccccc2NC(=O)c2oc3ccccc3c2C)o1 414669 POCSAFGJNBOMGU-UHFFFAOYSA-N 331.371 5.562 0 40 EKAB CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1cccc(F)c1 2053545 ZFHNNOCSSKMNBV-JZJYNLBNSA-N 342.464 5.509 0 40 EKAB Cc1c(C(=O)N2CC[C@H](C)Sc3ccccc32)oc2ccccc12 3431975 YIMBPDPWSNYSAB-ZDUSSCGKSA-N 337.444 5.272 0 40 EKAB Cc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1C 5500192 KPQLRPCJFJGIBS-UHFFFAOYSA-N 327.387 5.101 0 40 EKAB Cc1c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)oc2ccccc12 5697421 IEDRAEXODVFKOT-XSXQVXRUSA-N 337.463 5.076 0 40 EKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709240 IHNDQSGGJCAJES-MRXNPFEDSA-N 333.431 5.369 0 40 EKAB CC[C@H](C)c1ccc(NC(=S)NCCCc2ccccc2)cc1 13817338 XXUKYFNOVARIFQ-INIZCTEOSA-N 326.509 5.119 0 40 EKAB Cc1noc(C)c1CSCc1coc(-c2ccc(Cl)cc2)n1 31423935 HOHQLDAQOVBWPK-UHFFFAOYSA-N 334.828 5.033 0 40 EKAB C[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(Cl)cc2[nH]1 33327208 YRTLDZLTCIJPOS-MRVPVSSYSA-N 341.625 5.663 0 40 EKAB C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 97393492 GENIKSRZPUERKV-QWRGUYRKSA-N 329.312 5.395 0 40 EKAB COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](C)CC(O)=C32)cc1 102664350 FVKJUSYQFKEVKI-ASSNKEHSSA-N 334.419 5.177 0 40 EKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc2ccccc2c1 222795053 DLJQHOSNVBIVKG-KRWDZBQOSA-N 347.458 5.047 0 40 EKAB Cc1cc(-n2cccc2)cc2nc(-c3cccc(Cl)c3Cl)oc12 226247773 QAFSQWZMGKTZMO-UHFFFAOYSA-N 343.213 5.901 0 40 EKAB Clc1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)cc1 226294950 IXOLXIGIQYKJBJ-UHFFFAOYSA-N 335.790 5.727 0 40 EKAB c1ccc2c(c1)CCc1sc(=Nc3cccc4ccccc34)[nH]c1-2 408900520 VSXNALZGHQZNEZ-UHFFFAOYSA-N 328.440 5.227 0 40 EKAB Cc1cccc(NCc2cccc(OCc3cccc(F)c3)c2)c1C 409112639 FMGKGYYDZMIBEA-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB COc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Cl)c1 1504250447 NVSNEIPQPFQZTL-UHFFFAOYSA-N 338.659 5.438 0 40 EKAB O=C(Cc1ccccc1)N(c1ccccc1)c1ccc2ccccc2c1 1028929 KUUAPVSCBMVABN-UHFFFAOYSA-N 337.422 5.747 0 40 EKAB C[C@H]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 1511238 APKIQWGYMLOZKA-AWEZNQCLSA-N 348.471 5.187 0 40 EKAB Cc1ccc2c(Cl)c(C(=O)NCCCc3ccccc3)sc2c1 2084768 DBIFEOLKAVATKA-UHFFFAOYSA-N 343.879 5.226 0 40 EKAB c1ccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 3218326 RKZHLARAFCGXOP-UHFFFAOYSA-N 334.488 6.601 0 40 EKAB CCN(C(=O)c1cc2ccccc2o1)c1nc2c(C)cccc2s1 3408048 FIFIOBBKLYDDJJ-UHFFFAOYSA-N 336.416 5.018 0 40 EKAB Cc1ccccc1NC(=S)N[C@H](C)c1ccc(-c2ccccc2)cc1 3477531 DYTJTURLOQQARB-QGZVFWFLSA-N 346.499 5.710 0 40 EKAB CCCCCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 5235201 QMUUABTZMYZTEN-NTCAYCPXSA-N 338.882 6.440 0 40 EKAB CCCCCCNCc1ccc(OCc2ccccc2C)c(OC)c1 7261019 TXDVZQJZANEGIF-UHFFFAOYSA-N 341.495 5.253 0 40 EKAB CCOc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1 18197024 SHWXPMWSDSXQHF-UHFFFAOYSA-N 325.195 5.036 0 40 EKAB c1ccc(CCCNc2cccc(OCCOc3ccccc3)c2)cc1 19738401 CTVIVWKSZGEADG-UHFFFAOYSA-N 347.458 5.189 0 40 EKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C)cc(C)c1 20111920 DZJMJNBLQGBAER-QGZVFWFLSA-N 333.884 5.466 0 40 EKAB Cc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)C2 20672075 XUECYOXBOTZNPF-UHFFFAOYSA-N 345.446 5.079 0 40 EKAB S=C(NCc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 36845228 SKWVAVLZQQLNFF-UHFFFAOYSA-N 332.428 5.073 0 40 EKAB O=C1[C@]2(CCC[C@]13C[C@@H]3c1ccc(F)cc1)C[C@@H]2c1ccc(F)cc1 51330241 JCDLEAKSDWPKHB-UGESXGAOSA-N 338.397 5.365 0 40 EKAB CCCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1OCC 106995441 NUJPZVMETDARKB-UHFFFAOYSA-N 333.859 5.448 0 40 EKAB CCCCN(C[Si](C)(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 195819108 KOEJLYFSZRLFSN-UHFFFAOYSA-N 347.362 5.505 0 40 EKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Nc1ccc(Cl)cc1 222636537 GWIAECBNUVCNRV-MRXNPFEDSA-N 344.842 5.072 0 40 EKAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 408587148 RDDHCCQVPUUNLU-UHFFFAOYSA-N 344.625 5.298 0 40 EKAB CCOc1c(Cl)cc(CNc2cccc(Cl)c2C)cc1OC 409113926 GLJOAEJIVXXMIY-UHFFFAOYSA-N 340.250 5.321 0 40 EKAB O=C(C[C@@H](SCc1ccco1)c1ccc(Cl)cc1)c1ccco1 239421 UGRVLCILSOGPPW-GOSISDBHSA-N 346.835 5.774 0 40 EKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)oc2c1 352938 HUQONECGTPPJBV-UHFFFAOYSA-N 328.371 5.056 0 40 EKAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)c1cccs1 412490 CQTDPCRYVQLBCA-UHFFFAOYSA-N 327.474 5.197 0 40 EKAB Cc1ccc(Cl)cc1NCCC(=O)c1ccc(Cl)c(Cl)c1 3153526 UTNFWOZDUSQBIA-UHFFFAOYSA-N 342.653 5.640 0 40 EKAB Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccccc3F)nc12 5693405 WEIGPJCCWSGQTR-AATRIKPKSA-N 334.177 5.557 0 40 EKAB O=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 5947000 JKXFHNZYOLBPML-UHFFFAOYSA-N 346.213 5.183 0 40 EKAB Cc1ccc([C@H]2C[C@H]2c2n[nH]c(=S)n2-c2ccc(Cl)cc2)cc1 6533846 AINSTPYBZSXWHP-HZPDHXFCSA-N 341.867 5.163 0 40 EKAB O=C(CSc1cccc2ccccc12)Nc1ccccc1C(F)F 6536654 GRMUFKUDVHALNS-UHFFFAOYSA-N 343.398 5.508 0 40 EKAB COc1cccc(/C=C/c2nc3c(ccc4ccccc43)s2)c1OC 6847961 KSPJRMZZRQLRHG-ACCUITESSA-N 347.439 5.637 0 40 EKAB O=C(Nc1ccc(F)c(F)c1F)c1cccc(Oc2ccccc2)c1 7063970 SHQRIKJWFLKHRQ-UHFFFAOYSA-N 343.304 5.149 0 40 EKAB CCCCCCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 7261012 MBGPZUSTBSRWCE-UHFFFAOYSA-N 345.458 5.083 0 40 EKAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21 13717116 AIBNHSXHEALWEQ-ZNMIVQPWSA-N 336.460 5.188 0 40 EKAB CC[C@H](C)Oc1cccc(NC[C@@H](C)Oc2ccccc2Cl)c1 19737555 XMRCLSBCRDCUIQ-LSDHHAIUSA-N 333.859 5.397 0 40 EKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(Cl)c1Cc1ccccc1 40216572 ICLLKFFTVVUMFY-UHFFFAOYSA-N 347.849 5.257 0 40 EKAB Cc1ccc(CSCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 44845478 YNTUPYULTWXZLN-FQEVSTJZSA-N 341.520 5.132 0 40 EKAB COc1ccc(CNc2ccc(Br)cc2C)cc1Cl 105867905 BGMRWYQGYGRERS-UHFFFAOYSA-N 340.648 5.032 0 40 EKAB COc1cc(C)c([C@H](C)NC(=O)c2cccc(Cl)c2)cc1C(C)C 223263087 ZGFQLGUJJBLILT-AWEZNQCLSA-N 345.870 5.271 0 40 EKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2 223411044 UCLNUGDRYFITLB-AWEZNQCLSA-N 333.456 5.058 0 40 EKAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 224648479 UMYFBZAOGDVNCB-KBPBESRZSA-N 347.911 5.260 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)CCc1c(Cl)cccc1Cl 225347430 UFELPDHRAZZVEN-UHFFFAOYSA-N 342.653 5.527 0 40 EKAB CCCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OC 409110901 ASPIGORCLHAUJS-UHFFFAOYSA-N 333.859 5.366 0 40 EKAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 483293 JJOGYSDMPUUQPS-MRXNPFEDSA-N 348.446 5.208 0 40 EKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1 568434 YIKFAKSJDZBJJZ-UHFFFAOYSA-N 347.197 5.610 0 40 EKAB COc1ccc([C@@H](CCN[C@H](C)c2ccccc2)CCC(C)C)cc1 2446813 APSCIINPCPVIBE-DENIHFKCSA-N 339.523 5.956 0 40 EKAB FC(F)(F)c1cnc(SC/C=C/c2ccccc2)c(Cl)c1 3110959 ATSCKNHTLDUOCK-QPJJXVBHSA-N 329.774 5.559 0 40 EKAB Cc1cc(C)cc(NC(=O)[C@@H](Nc2ccccc2)c2ccccc2)c1 3327626 LLDVHTHYXJXWQV-NRFANRHFSA-N 330.431 5.095 0 40 EKAB Clc1cc2c(c(CSc3nc4ccccc4s3)c1)OCOC2 5034998 HIHBSYSGZZFDQT-UHFFFAOYSA-N 349.864 5.109 0 40 EKAB Cc1ccc(O)c(C(c2cc(C)ccc2O)c2ccccc2Cl)c1 5430550 GDWFFTYLWSJYDG-UHFFFAOYSA-N 338.834 5.548 0 40 EKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 5861462 UARCRKQJFKRKLN-VIFPVBQESA-N 344.625 5.053 0 40 EKAB Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c(C)c1 5961411 ULNPQYIIWUSNKU-UHFFFAOYSA-N 331.415 5.135 0 40 EKAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccccc3Cl)S2)c(C)c1 6366706 YLTCSSGTSUGHIB-MHWRWJLKSA-N 342.851 5.039 0 40 EKAB CSc1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 6454224 XURAAWGNNVFYBP-KNTRCKAVSA-N 345.467 5.588 0 40 EKAB CCc1ccccc1-n1c([C@H]2C[C@@H]2c2ccc(C)cc2)n[nH]c1=S 6871117 YYRNPNSRUBJHDG-SJORKVTESA-N 335.476 5.072 0 40 EKAB Cc1cc2nc(Oc3ccc4ccccc4c3)c3ccccc3n2n1 7737824 JNLFVSCQYYCGRI-UHFFFAOYSA-N 325.371 5.136 0 40 EKAB O=C(c1oc2ccccc2c1COc1ccccc1)N1CCCCCC1 8270426 CRAKZUVWTXYPKT-UHFFFAOYSA-N 349.430 5.028 0 40 EKAB O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1CC[C@@H]2CCCC[C@@H]2C1 16385480 NVRAZDDCGFQUMS-SCRDCRAPSA-N 342.266 5.901 0 40 EKAB Clc1ccccc1COc1cccc(CNC2CCCCC2)c1 16450040 XIHBXVNYBYIGHH-UHFFFAOYSA-N 329.871 5.341 0 40 EKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C)cc(C)cc1C 20489318 MGDYKEOJWURKIP-QGZVFWFLSA-N 331.843 5.061 0 40 EKAB COCc1c(C(=O)Nc2c(C)cc(C)cc2Cl)oc2ccccc12 21362701 OQIGIYXMKHIUSY-UHFFFAOYSA-N 343.810 5.102 0 40 EKAB Cc1sc(NCc2ccco2)nc1-c1ccc(Br)cc1 22459806 WKQCIKAVTNMYGI-UHFFFAOYSA-N 349.253 5.086 0 40 EKAB O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 69441087 MJXBEALCCAKSCJ-TZIWHRDSSA-N 348.490 5.321 0 40 EKAB CC[C@@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 72332583 SUGKAAYYHYCKPD-WMLDXEAASA-N 332.856 5.071 0 40 EKAB CCCC(=O)Nc1cccc(NCc2coc(-c3ccccc3)n2)c1C 75103436 REQRUMBBDRRLLF-UHFFFAOYSA-N 349.434 5.001 0 40 EKAB CN(CC1CCCCC1)C(=O)c1cnc(-c2ccccc2Cl)s1 78718353 MHSDZZQAUBEOKA-UHFFFAOYSA-N 348.899 5.116 0 40 EKAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 113935046 JYIHXANLCVGSEI-HUUCEWRRSA-N 347.911 5.315 0 40 EKAB Clc1cccc(Cl)c1-c1cc2cc(Br)ccc2o1 216944364 XKVBVVFQORCJJA-UHFFFAOYSA-N 342.019 6.169 0 40 EKAB CCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225818111 PVVNKGVIDZPQJU-VFNWGFHPSA-N 343.467 5.161 0 40 EKAB Fc1ccc(CO[C@@H]2C[C@H](c3ccccc3)O[C@@H]3CCC[C@@H]23)cc1 257239054 HNTCSYCZZMFERN-XRXFAXGQSA-N 326.411 5.041 0 40 EKAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 260818164 WHSFGWUEMVLJDB-LFRPXUGBSA-N 347.499 5.015 0 40 EKAB c1cncc(-c2nc3cc4sc(-c5cccnc5)nc4cc3s2)c1 912015 ALIIUFBWRASSDS-UHFFFAOYSA-N 346.440 5.030 0 40 EKAB CC[C@@H](C)c1ccc([C@H](C)NC(=O)c2csc3ccccc23)cc1 2769907 HVNXVFUJXUBMNF-CABCVRRESA-N 337.488 5.906 0 40 EKAB CC(C)CC[C@@]1(CCNCc2ccccc2)CCO[C@@H](C(C)C)C1 4073291 TWEHSWBPHIACBO-FGZHOGPDSA-N 331.544 5.424 0 40 EKAB biogenic CCCC[C@@H](CC)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 4156155 PFCAIMKBPMFISK-GFCCVEGCSA-N 336.888 5.618 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1N=NC[C@H]1c1ccccc1 4726301 ZVLZBNRHKZUUOD-SFTDATJTSA-N 326.399 5.155 0 40 EKAB O=C(Cc1cccs1)Nc1ccccc1SCc1ccsc1 13006916 USJDINPUSAWRQV-UHFFFAOYSA-N 345.514 5.283 0 40 EKAB C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 13774740 KNYNUXCPFQOKRH-CYBMUJFWSA-N 346.927 5.685 0 40 EKAB CCCCOc1ccccc1NC[C@H](CC)Oc1ccccc1C 19738487 RPOYZGPEKMONOH-SFHVURJKSA-N 327.468 5.443 0 40 EKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(C)cccc1C(C)C 20484164 HLEJFSWPMJLRBY-FQEVSTJZSA-N 339.479 5.531 0 40 EKAB Cc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCC2)cc1C 27752081 PLQJTYINVGRHDP-UHFFFAOYSA-N 341.842 5.188 0 40 EKAB Cc1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)c(Cl)c1 44781793 DQQPZDGTVUWPQR-UHFFFAOYSA-N 334.806 5.535 0 40 EKAB COc1cc([C@@H]2C[C@@H]3CC[C@H]2C3)ccc1OC(=O)Nc1ccccc1 102772342 BEGPRXZENQASEA-RVKKMQEKSA-N 337.419 5.210 0 40 EKAB Fc1ccc(-c2cc3cc(Br)ccc3o2)c(Cl)c1 216944417 GXYKVOCQHHMHIF-UHFFFAOYSA-N 325.564 5.655 0 40 EKAB O=C(NC1CCCCCCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225259454 QPMIXQUFEHSUTK-UHFFFAOYSA-N 347.462 5.073 0 40 EKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(F)cc1F 225659742 GFDRKMNSMKJIEO-ZDUSSCGKSA-N 348.462 5.008 0 40 EKAB Clc1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)c(Cl)c1 1580734 AXOOKUPWTJOAFC-UHFFFAOYSA-N 341.197 5.864 0 40 EKAB CC[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](CC)c1ccc(O)cc1 1670151 CGWADWORZKHRCQ-RPWUZVMVSA-N 330.471 6.747 0 40 EKAB Cc1ccc2c(-c3ccccc3)c(-c3cccc(Cl)c3)c(=O)oc2c1 2581739 XVIOHJLWAJUCMT-UHFFFAOYSA-N 346.813 6.089 0 40 EKAB biogenic Cc1cc(C)c(NC(=O)COc2ccccc2-c2ccccc2)c(C)c1 2650013 NSGZFVQJEJNKNN-UHFFFAOYSA-N 345.442 5.296 0 40 EKAB Clc1ccc(-c2csc(N3CCc4ccccc43)n2)c(Cl)c1 3671494 XVLZIUMLVNODCX-UHFFFAOYSA-N 347.270 5.811 0 40 EKAB Cc1c(C(=O)O)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 3886067 TWXKFVFBNXJAPT-UHFFFAOYSA-N 343.351 5.050 0 40 EKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1C 5016656 SNYHKDUXXUNWCL-GFCCVEGCSA-N 337.847 5.215 0 40 EKAB Oc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1 6970920 IAUDTCIHPCWMLT-UHFFFAOYSA-N 347.237 5.022 0 40 EKAB O=C(CCC1CCCC1)Nc1nc(-c2ccccc2Cl)cs1 7652069 QLDTYKMWZBAERO-UHFFFAOYSA-N 334.872 5.372 0 40 EKAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Cl)cc(Cl)c1 8705909 ZWJGPWFEGDCCRY-UHFFFAOYSA-N 349.242 5.369 0 40 EKAB Clc1ccc(CSc2ncc(-c3ccccc3)[nH]2)c(Cl)c1 8770002 SNYVMGHXIYGTLD-UHFFFAOYSA-N 335.259 5.676 0 40 EKAB COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)c(C)c1C 12496045 IHUNBGSDBOWDMA-UGOGCBOOSA-N 326.436 5.167 0 40 EKAB endogenous,world Cc1cc(S[C@H](C)C(=O)c2ccc(Cl)cc2)nc2ccccc12 12633475 SJNZRRKOTLWUFR-CYBMUJFWSA-N 341.863 5.560 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(Cl)c2C)c(Cl)c1 16216517 ZLJWRMDZWIEHQK-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB CCOc1ccc2nc(Nc3nc4cc(CC)ccc4o3)sc2c1 57353019 KIQWXGKZYYYWCB-UHFFFAOYSA-N 339.420 5.142 0 40 EKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1)c1ccc(C)cc1 59351794 PAOWNFOZJUZBNE-LEWJYISDSA-N 339.479 5.037 0 40 EKAB CC[Si](CC)(CC)c1c(Cl)ccc(Br)c1Cl 219797775 BXMWEKKFOWRDJO-UHFFFAOYSA-N 340.164 5.471 0 40 EKAB CCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225701258 NGWFAYACILGOSX-UTKZUKDTSA-N 349.515 5.405 0 40 EKAB CC(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 568715 IONCPSKBAWAKEC-UHFFFAOYSA-N 338.234 5.281 0 40 EKAB O=C(/C=C/c1ccccc1Cl)Oc1ccc(Cl)cc1Cl 1776111 JUKYBDMIKPTTGS-VMPITWQZSA-N 327.594 5.266 0 40 EKAB CCSc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)O 5673880 UYBRVIMTHIGNQC-UHFFFAOYSA-N 343.835 5.365 0 40 EKAB Cc1cccc(C(C)C)c1NC(=O)CSc1ccc(Cl)cc1 5863850 JFHSYNCZQSTSOS-UHFFFAOYSA-N 333.884 5.503 0 40 EKAB O=C(CCc1cccs1)Nc1nc(-c2ccc(Cl)cc2)cs1 7472380 FASSMQKGVQGVRW-UHFFFAOYSA-N 348.880 5.096 0 40 EKAB FC(F)Oc1ccc(/C=C/c2nc3ccccc3n2C(F)F)cc1 8708528 UVPMGLGVHFMKNH-JXMROGBWSA-N 336.288 5.203 0 40 EKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 20489781 BFOVYCYYVYAKIZ-MRXNPFEDSA-N 333.431 5.369 0 40 EKAB Fc1ccc(Cl)c(NC(=S)Nc2cccc(Cl)c2F)c1 71326200 UPNVJCRUJOKWDO-UHFFFAOYSA-N 333.190 5.081 0 40 EKAB Cc1ccccc1NC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C 96037263 OENNETYFUQUBCE-UHFFFAOYSA-N 345.446 5.275 0 40 EKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 216270885 NCSPXMCIXACLDD-KRWDZBQOSA-N 333.431 5.171 0 40 EKAB CC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc2c(c1)CCCC2 223145162 BOEHJKLLYOZILS-QFIPXVFZSA-N 335.491 5.372 0 40 EKAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CCC)OCC)cc1C 225694631 JCZRQLNWYNHFBB-FQEVSTJZSA-N 335.488 5.016 0 40 EKAB Cc1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225697463 USCJOTVVIQWXLJ-NRFANRHFSA-N 346.499 5.379 0 40 EKAB COc1cc2c(C(=O)O)c(C)n(-c3cccc(C)c3)c2c2ccccc12 348499 UPEABEREESSRDC-UHFFFAOYSA-N 345.398 5.107 0 40 EKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 365182 HCZLJABVYRCFJH-OAHLLOKOSA-N 329.871 5.589 0 40 EKAB CCCCSc1nc(SCCCC)nc(SCCCC)n1 1737339 ASZLGDZGEVPTTL-UHFFFAOYSA-N 345.603 5.548 0 40 EKAB Cc1ccc(-c2cc3cc4c(cc3[nH]2)Sc2ccccc2O4)cc1 2026579 IGMXIYJSWPFRAD-UHFFFAOYSA-N 329.424 6.400 0 40 EKAB Cc1ccc(Nc2nnc(SCc3ccccc3)s2)c(C)c1 3296159 AVMCETVXQKQIPJ-UHFFFAOYSA-N 327.478 5.191 0 40 EKAB Cc1ccc(F)c(NC(=O)CSc2ccc3ccccc3c2)c1 4723947 NHNRDOJUBOVZTL-UHFFFAOYSA-N 325.408 5.018 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3F)n2)cc1C 6201671 YLAIZORLQVWKDC-UHFFFAOYSA-N 340.423 5.127 0 40 EKAB CCOCc1c(C(=O)Nc2ccc(C)cc2Cl)oc2ccccc12 6272262 TZDYQWRESMFSMK-UHFFFAOYSA-N 343.810 5.183 0 40 EKAB COc1ccc(C)cc1NC(=O)c1ccc(Oc2ccccc2)cc1 6395545 IMYMCHBFOGEPFF-UHFFFAOYSA-N 333.387 5.048 0 40 EKAB C[C@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(Cl)cc1 10277429 PNYULROTIFYPDA-QWHCGFSZSA-N 342.826 5.208 0 40 EKAB Fc1ccc(-c2cc3ncnc(SC4CCCC4)c3s2)cc1 14128598 RWENPTRMIYNJJF-UHFFFAOYSA-N 330.453 5.532 0 40 EKAB CCC/C(=C\c1ccc(-c2ccc(Br)cc2)o1)[N+](=O)[O-] 16611428 YRPFOOPTAUEQIZ-JLHYYAGUSA-N 336.185 5.127 0 40 EKAB C[C@H](NCc1cc(Br)cs1)c1cccc(Cl)c1 20306365 QRSCBUISPDFNRA-VIFPVBQESA-N 330.678 5.015 0 40 EKAB C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 28605141 RCASHQUXOXQIGC-CZUORRHYSA-N 334.444 5.072 0 40 EKAB CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)s1 32768567 JJDSSNIKQHVYQZ-CQSZACIVSA-N 349.455 5.109 0 40 EKAB CCC1(CC)C[C@@H](NC(=O)c2cc3ccccc3o2)c2ccccc2O1 223212182 YONBNUGFQJLNAS-QGZVFWFLSA-N 349.430 5.245 0 40 EKAB CC(C)c1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225045459 XSMKCSSHPNWTAW-FQEVSTJZSA-N 340.463 5.182 0 40 EKAB Cc1cccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 225762935 GGXURHRKYBELJM-IBGZPJMESA-N 326.509 5.296 0 40 EKAB COc1cc2c(cc1C)-c1nc(Nc3ccc(C)cc3)sc1CC2 408889429 GSRLXJQYHPIGTF-UHFFFAOYSA-N 336.460 5.278 0 40 EKAB Oc1c(Cl)cc(Br)cc1-c1nc2ccccc2s1 409188681 JSYOTFSPVVWBDA-UHFFFAOYSA-N 340.629 5.085 0 40 EKAB CC(=O)c1cc2c(cc1C)N(C(=O)c1ccccc1)C(C)(C)C[C@H]2C 1548338339 LXBYZHTUHFYKAQ-OAHLLOKOSA-N 335.447 5.130 0 40 EKAB COc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 281301 LQAZQADHWLWEBV-UHFFFAOYSA-N 332.428 5.716 0 40 EKAB Cc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(Cl)cc3)c2c1 1805872 YUSSHJVYBHUNNI-HIXSDJFHSA-N 345.829 6.294 0 40 EKAB C1=C([C@@H]2CCCc3cc4c(nc32)[C@H](C2=CCCCC2)CCC4)CCCC1 2334626 SRAWZEJLBFCRCG-GOTSBHOMSA-N 347.546 6.922 0 40 EKAB Fc1cccc(Cl)c1CSc1ncnc2c1oc1ccccc12 2722816 RVKNSBLWUBGSRU-UHFFFAOYSA-N 344.798 5.461 0 40 EKAB Cc1ccc(SCc2c(-c3ccccc3)nn(C)c2Cl)c(C)c1 3047451 PMERNVWDTWGPDQ-UHFFFAOYSA-N 342.895 5.650 0 40 EKAB Clc1ccc(COc2ccc3oc4ccccc4c3c2)c(Cl)c1 3252311 VSNPAZAFQYCUGR-UHFFFAOYSA-N 343.209 6.472 0 40 EKAB Cc1cc(C(=O)OCc2c(Cl)cccc2Cl)c2ccccc2n1 3316456 ZTLXXOCRNORRMF-UHFFFAOYSA-N 346.213 5.207 0 40 EKAB CCCCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 4554933 FBUAVSRTRONMJJ-UHFFFAOYSA-N 344.867 5.745 0 40 EKAB C1=CC[C@H](C2OC([C@H]3CC=CCC3)OC([C@H]3CC=CCC3)O2)CC1 4962499 GDVLQRKRINDFTM-QDVRNYAMSA-N 330.468 5.097 0 40 EKAB CCCCCCNCc1ccc(OCc2ccccc2Cl)cc1 7261040 JNHNZOVPZPLYSD-UHFFFAOYSA-N 331.887 5.589 0 40 EKAB CC(C)Oc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 11055877 XNKDPQODDUPWBV-OAHLLOKOSA-N 341.476 5.005 0 40 EKAB Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 14669477 XOALXKRYWQGWFO-UHFFFAOYSA-N 328.626 5.516 0 40 EKAB CCCn1c(=O)cc(Nc2cccc(C(F)(F)F)c2)c2ccccc21 34634654 VHFCYVADKNDFMF-UHFFFAOYSA-N 346.352 5.174 0 40 EKAB Cc1sc(Cl)cc1C1=C(c2cc(Cl)sc2C)CCC1 38275257 DGZQNPCSQDROIH-UHFFFAOYSA-N 329.317 6.828 0 40 EKAB Cc1cccc(OC(=O)N2c3ccccc3Sc3ccccc32)c1 40410923 NSTBBOKFDNCGRF-UHFFFAOYSA-N 333.412 5.797 0 40 EKAB in-vivo OC1=Nc2ccsc2[C@@H](c2ccc(OC3CCCC3)cc2)SC1 71282346 ATNFGWNUHANXAV-QGZVFWFLSA-N 345.489 5.494 0 40 EKAB CCc1cc(Br)c2oc(-c3ccc(C)cc3C)nc2c1 73639706 PBZQSOYFXMPPBJ-UHFFFAOYSA-N 330.225 5.437 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1N=NC[C@@H]1c1ccccc1 100340913 ZVLZBNRHKZUUOD-NHCUHLMSSA-N 326.399 5.155 0 40 EKAB CC(C)(C)Oc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C 101468812 VRHXDKGHECNGTE-UHFFFAOYSA-N 341.333 6.221 0 40 EKAB COc1ccc(NCc2ccc(OCc3ccc(C)cc3)cc2)cc1 106975029 VWHZZJIRHBEGAU-UHFFFAOYSA-N 333.431 5.195 0 40 EKAB Cc1ccc([C@H](NC(=S)Nc2ccc(F)cc2F)C(C)C)c(C)c1 225764749 LJAJLBJWUTUJBF-GOSISDBHSA-N 348.462 5.265 0 40 EKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 245333860 BJQLPOYHBJQLJD-LAGYJFMCSA-N 343.898 5.916 0 40 EKAB C[C@]12CC[C@@]3(CS3)C[C@@H]1CC[C@H]1[C@@H]3CC[C@]4(CS4)[C@@]3(C)CC[C@H]12 253505284 GIBFGVLFEQJQJA-JRRMKBMNSA-N 348.621 6.000 0 40 EKAB CC(C)c1nc(Cc2ccccc2)c(C(=O)O)cc1-c1ccccc1F 257222206 DSJNIERFXZNZMD-UHFFFAOYSA-N 349.405 5.300 0 40 EKAB Cc1cccc(NCc2ccc(OCc3cccc(F)c3)cc2)c1C 409111787 CEHNBOLUCDZOJP-UHFFFAOYSA-N 335.422 5.634 0 40 EKAB O=C(Cc1ccccc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 575360758 HWMKJJZZPZRFHM-UHFFFAOYSA-N 332.243 5.150 0 40 EKAB CC(C)c1ccc(NC(=O)CSc2cccc3cccnc23)cc1 31354 GQUNIVIAKFZNTJ-UHFFFAOYSA-N 336.460 5.089 0 40 EKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1F)c1cccnc1 352702 WXYHSPKDEXDKGA-NRFANRHFSA-N 331.394 5.212 0 40 EKAB Cc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 520235 XJOSYDAHJXGWCG-UHFFFAOYSA-N 340.430 5.294 0 40 EKAB Cc1ccc(S[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 563647 NMHZOIICFUCHRU-INIZCTEOSA-N 327.493 5.546 0 40 EKAB O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1Cc1ccccc1 1656973 MVBUUZPHOFPICZ-UHFFFAOYSA-N 348.445 6.175 0 40 EKAB COc1ccc2ccccc2c1Cc1ccc(N(C)C)cc1Cl 1665278 XEGDJVFUSKMLKF-UHFFFAOYSA-N 325.839 5.159 0 40 EKAB Clc1ccc2c(Cl)c(-c3ccccc3)c(Cl)nc2c1Cl 2145146 WHRBYXWSNKQJNI-UHFFFAOYSA-N 343.040 6.515 0 40 EKAB CC(C)CCC[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 3452304 SMEJRBZMXGNBGU-HZPDHXFCSA-N 340.511 5.237 0 40 EKAB Cc1cc(C)c(-c2csc(NC(=O)c3cccc(F)c3)n2)c(C)c1 4072675 KSGFDLZSVXLJLQ-UHFFFAOYSA-N 340.423 5.127 0 40 EKAB COc1ccccc1-c1ccc(SCc2cccc(Cl)c2)nn1 4356216 NZXRBTNXIHODOX-UHFFFAOYSA-N 342.851 5.098 0 40 EKAB Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3cccc(Cl)c3)nc12 4678572 OLLMTZKMPXUNRR-UHFFFAOYSA-N 342.229 5.314 0 40 EKAB Cc1ccc2nc(SCCOc3ccc(C(C)(C)C)cc3)[nH]c2c1 5125932 BVAJGGZUEOUHMX-UHFFFAOYSA-N 340.492 5.340 0 40 EKAB CCCc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)sc1C 6249080 FHLBFZSNTOPAJL-UHFFFAOYSA-N 342.508 5.252 0 40 EKAB Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)c1 12274721 GMUGNSPROCDMRQ-UHFFFAOYSA-N 325.795 5.469 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708334 IGNNKOGXZCKUAM-AWEZNQCLSA-N 339.822 5.208 0 40 EKAB N=C(/C(=C/c1cccc2ccccc12)c1ccccc1)c1ccccc1 17105825 NJFBYHPPFCLQAE-DGZVMTFBSA-N 333.434 6.448 0 40 EKAB CCCCCCC1N2[C@@H](CCCCCC)N[C@@H](CCCCCC)N12 19170339 IJPBLGWXZQMFLK-KGQNPBSJSA-N 337.596 6.012 0 40 EKAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1C 21595398 CVVOHERERHIBED-UHFFFAOYSA-N 339.479 5.397 0 40 EKAB Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cs1 23135735 INNWGFCSCMXDJP-UHFFFAOYSA-N 328.824 5.024 0 40 EKAB CCNc1nnc(S[C@@H](c2ccccc2)c2ccccc2C)s1 28189874 MRMUCNABMNMOGN-INIZCTEOSA-N 341.505 5.160 0 40 EKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc2ccccc2[nH]1 32843951 CIECRNVRYNIONU-UHFFFAOYSA-N 327.387 5.164 0 40 EKAB Cc1ccccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 57315946 WHUZAUPLXBZXNA-UHFFFAOYSA-N 325.452 5.089 0 40 EKAB Cc1cc(Nc2ncnc3ccc(Cl)cc23)ccc1Br 57519758 CINUTJOGFKBKSA-UHFFFAOYSA-N 348.631 5.098 0 40 EKAB CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1cc(C)cc(C)c1 58166257 UYYUTQSGROZHFA-UHFFFAOYSA-N 341.499 5.045 0 40 EKAB CN(C(=O)c1ccnc2ccccc12)c1ccccc1-c1ccccc1 83869817 LVTFCZRDGBBHEX-UHFFFAOYSA-N 338.410 5.178 0 40 EKAB Cc1nc(C(C)C)sc1[C@H](C)NCc1coc(-c2ccccc2)n1 96478638 KWRLXGURLWCHQB-ZDUSSCGKSA-N 341.480 5.081 0 40 EKAB COC1=C[C@H]2CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 118924528 BISLUBSVNGTKPR-AWZNDACSSA-N 346.511 5.101 0 40 EKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)cc2C)cc1C(C)C 223378963 PFFSMQLFIMFCQY-KRWDZBQOSA-N 339.479 5.235 0 40 EKAB CCCC[C@@H](CC)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360756 HULCZJJHJGFCNP-SNVBAGLBSA-N 340.307 6.123 0 40 EKAB O=CNc1c(Cl)c(Cl)c2c(c1Cl)Cc1cc(Cl)ccc1-2 1574390 BVPCXCFFDMDAKY-UHFFFAOYSA-N 347.028 5.440 0 40 EKAB CC(C)(C)c1cc(Nc2ccccc2)n2ncc(-c3ccccc3)c2n1 2364122 OMNXTBOMVIDRAS-UHFFFAOYSA-N 342.446 5.437 0 40 EKAB Cc1ccc(CCC(=O)c2ccc(Br)cc2F)cc1C 2517662 WJJBQZVMJANHNZ-UHFFFAOYSA-N 335.216 5.021 0 40 EKAB Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1Cl 2566943 QQFGAXUIQVKBKU-UHFFFAOYSA-N 326.437 6.621 0 40 EKAB biogenic c1ccc(Oc2cccc(CSc3ncnc4ccccc34)c2)cc1 3317530 HEPCSAQRPHOUOY-UHFFFAOYSA-N 344.439 5.714 0 40 EKAB CSc1ccccc1C(=O)Nc1nc2c(C)ccc(Cl)c2s1 4517454 BXBJIOOPNOKSBS-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB CCCCCCC1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 4673359 RABOHAMHXUTQFT-UHFFFAOYSA-N 346.902 6.634 0 40 EKAB CCCCN(CCCC)CC[C@@](C)(O)c1cccc2ccccc12 5973417 VVPSBCPSPBTMRV-JOCHJYFZSA-N 327.512 5.340 0 40 EKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C 14665147 ZDNZVZJNROAAMK-MRXNPFEDSA-N 325.452 5.007 0 40 EKAB CC(=O)Nc1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1 16711853 YYLQCSCENNWMHF-LHHMWQFHSA-N 345.486 5.435 0 40 EKAB Cc1ccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)cc1 17072066 IWPJFHGBFBXUAE-UHFFFAOYSA-N 346.380 5.793 0 40 EKAB Cc1ccc([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 20048093 CLDLVBVMVNADKD-IBGZPJMESA-N 343.470 5.394 0 40 EKAB Cc1nc2cc(NC(=O)Nc3ccc4ccccc4c3)ccc2s1 34372832 RAUVGBSGKKWNCA-UHFFFAOYSA-N 333.416 5.402 0 40 EKAB CCOc1ccc(/C=C/C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 36396491 ANGNJOIPAQKFPM-WSYSLRRZSA-N 349.430 5.064 0 40 EKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)cccc1C(C)C 44848029 UXCQPYHDUUNABT-LJQANCHMSA-N 339.479 5.531 0 40 EKAB CCCC(C)(C)NC(=O)c1sc(-c2ccccc2Cl)nc1C 65041086 LTVBMNOLEZZWKL-UHFFFAOYSA-N 336.888 5.080 0 40 EKAB CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)c1cccnc1 68523852 QFUGQLJMLOXZPW-MRXNPFEDSA-N 339.483 5.553 0 40 EKAB Cc1cc(F)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 96171091 MAQIHOODKNSHJH-UHFFFAOYSA-N 346.711 5.450 0 40 EKAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 102956463 CXNRHJXUBPSSBF-TXTKFYIRSA-N 333.475 5.298 0 40 EKAB CC[Si](CC)(CC)c1c(Cl)cc(Br)cc1Cl 195941402 ZIVFAPNNAUFXDS-UHFFFAOYSA-N 340.164 5.471 0 40 EKAB O=C(CSCc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 223396589 GZOKFBCSUFGJSV-UHFFFAOYSA-N 347.439 5.458 0 40 EKAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225838777 SJYZMBFTGBQAEF-MRXNPFEDSA-N 337.463 5.095 0 40 EKAB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC)CCC[C@H]12 248247085 MVFRQMVXJZISHF-LMYCIYFBSA-N 328.496 5.347 0 40 EKAB Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 577722 BNIOAWGHJNVXEV-UHFFFAOYSA-N 347.414 5.113 0 40 EKAB Fc1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1 1094924 UVOLEULJELKEPA-UHFFFAOYSA-N 329.378 5.048 0 40 EKAB CCc1cccc(C)c1Nc1nc(-c2ccccc2)nc2ccccc12 1771422 BNFBVPAZAXGXAL-UHFFFAOYSA-N 339.442 5.911 0 40 EKAB CCCCc1ccc(NC(=O)c2ccccc2Br)cc1 1909358 JARNKUWGVMMFLP-UHFFFAOYSA-N 332.241 5.044 0 40 EKAB CCCCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 2024198 ZNYCXOJNKLVNRU-UHFFFAOYSA-N 340.448 5.036 0 40 EKAB Cc1c(C(=O)N2CCc3ccccc32)oc2c1ccc1ccccc12 3330155 RBMNMEGHSKTZTL-UHFFFAOYSA-N 327.383 5.097 0 40 EKAB CCC1(CC)O[C@@H](c2ccc(Br)cc2)Nc2ccccc21 3669006 NRZIZNDPQGHLJT-KRWDZBQOSA-N 346.268 5.605 0 40 EKAB CC(C)CC[C@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccco1 5323195 NNSCSQWLZUNLPB-SJLPKXTDSA-N 333.903 6.194 0 40 EKAB CSc1ccccc1COC(=O)Nc1cc(Cl)cc(Cl)c1 5362251 QKJDDTLONQLRAU-UHFFFAOYSA-N 342.247 5.464 0 40 EKAB CSc1ccc(Cl)c(C(=O)Nc2ccc3nc(C)sc3c2)c1 5938484 SHVQMTBFJKAMDY-UHFFFAOYSA-N 348.880 5.232 0 40 EKAB Clc1ccc(CSc2nc(-c3ccccc3)n[nH]2)cc1Cl 6178746 KTHDBUSYMKTWEB-UHFFFAOYSA-N 336.247 5.071 0 40 EKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C 8049673 MSGCVIJWKXORGS-LBPRGKRZSA-N 338.234 5.016 0 40 EKAB c1ccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nn2)cc1 12539069 FXWXZIREKZAWGV-UHFFFAOYSA-N 348.409 5.354 0 40 EKAB Cc1c(-c2cc(F)ccc2O)nc2ccccc2c1-c1ccccc1 12547073 SBOCHCXXISEVKI-UHFFFAOYSA-N 329.374 5.722 0 40 EKAB CCc1cccc(CC)c1NC(=O)c1csc(-c2cccs2)n1 12879019 GOMAFZKAAOQFLW-UHFFFAOYSA-N 342.489 5.249 0 40 EKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 13674915 ALBUEVHBKNCJCS-UHFFFAOYSA-N 337.463 5.558 0 40 EKAB COc1ccc(-c2c(C)nn3c2N=C(C)C[C@@H]3c2cccs2)cc1 17070927 JSKBEBYOGZIJLR-MRXNPFEDSA-N 337.448 5.014 0 40 EKAB CC(C)CCOc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 19738198 USKOROHSCKNSBW-UHFFFAOYSA-N 345.486 6.391 0 40 EKAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 20632708 HIVBIROFFCLHOX-IBGZPJMESA-N 344.458 5.217 0 40 EKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1 22568616 NLYJKDOAVXBNNG-UHFFFAOYSA-N 325.314 5.009 0 40 EKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(F)c(F)c1 28210446 NEFUQIFJBPKTHN-UHFFFAOYSA-N 341.382 5.368 0 40 EKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCO 33838809 LGEQQWMQCRIYKG-CGRWFSSPSA-N 347.543 5.241 0 40 EKAB in-vitro CC(C)C[C@@H](NC(=O)CCSc1ccccc1)c1ccccc1 38772486 NGSIHNGXXIRXRR-LJQANCHMSA-N 327.493 5.072 0 40 EKAB C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)c1ccc(Cl)s1 40086408 KQGSFWBPVBNXOZ-YUMQZZPRSA-N 349.308 5.238 0 40 EKAB Fc1ccccc1Nc1nc(-c2cccc(Br)c2)cs1 67321924 RTLGQRFCQWHFQW-UHFFFAOYSA-N 349.228 5.455 0 40 EKAB OC1=Nc2ccsc2[C@@H](c2c(Cl)cccc2Cl)SC1 71281642 LGSNOJWFGNTPLW-CYBMUJFWSA-N 330.261 5.479 0 40 EKAB Cc1cccc([C@@H]2CCCN2C(=O)CCc2ccc3ccccc3c2)c1 84210696 HEKSAURXCFEZCY-QHCPKHFHSA-N 343.470 5.445 0 40 EKAB CC(C)(C)c1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 96775946 MDXHOGPPEWWNTD-UHFFFAOYSA-N 340.470 6.049 0 40 EKAB Clc1cc(Cl)c2oc(-c3c(Cl)cccc3Cl)nc2c1 216868891 GMCDDKKRARUOSG-UHFFFAOYSA-N 333.001 6.108 0 40 EKAB CC[C@@H](NC(=O)c1ccccc1SC)c1ccc2c(c1)CCCC2 223023687 HAHUNTARWMKOEY-LJQANCHMSA-N 339.504 5.168 0 40 EKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc3ccccc23)c1 223992813 IPKDRUWSCUYLQL-KRWDZBQOSA-N 347.458 5.678 0 40 EKAB COc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1 409120943 WZBUOGOSTWHBRB-UHFFFAOYSA-N 337.394 5.025 0 40 EKAB O=C(O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)ccc12 1857793934 XWLGCUBTGXDLOK-UHFFFAOYSA-N 325.367 5.267 0 40 EKAB Clc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)ccnc2c1 103506 SVTGXFPSZUSYLC-UHFFFAOYSA-N 346.817 6.424 0 40 EKAB Cc1ccc(C(=O)CSc2nc(C(C)C)nc3ccccc23)cc1 1343008 UQCYPEAKVNFESC-UHFFFAOYSA-N 336.460 5.037 0 40 EKAB Brc1ccccc1/C=C/c1ccccc1Br 2172955 CAQJRIYIZUQIHV-MDZDMXLPSA-N 338.042 5.382 0 40 EKAB Clc1ccc2nc(-c3ccsc3)c(NC3CCCCC3)n2c1 3911546 MVFUXAOPFAAQER-UHFFFAOYSA-N 331.872 5.461 0 40 EKAB CCOC1(OCC)[C@@H](C)[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1C 4963671 CDDIJTDHKUJMOI-GPHNJDIKSA-N 338.491 5.609 0 40 EKAB c1ccc(-c2nnc(COc3ccc(C4CCCCC4)cc3)o2)cc1 8040471 QAFWOTNNJIUODP-UHFFFAOYSA-N 334.419 5.363 0 40 EKAB CCCCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1OCC 8207408 OUFHCLASXBSFQY-UHFFFAOYSA-N 341.451 5.133 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709073 JKDPVOWGHFGEFB-CQSZACIVSA-N 339.822 5.208 0 40 EKAB CCc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 13820595 BYNBLTHACGJXLA-UHFFFAOYSA-N 346.499 5.325 0 40 EKAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 14268910 WWCZZEPQJSQRCK-KRWDZBQOSA-N 336.479 5.441 0 40 EKAB Cc1cc2nc(-c3ccc(C(C)C)cc3)oc2c(Br)c1C 20156763 QIRWNIWDSAFRIZ-UHFFFAOYSA-N 344.252 5.998 0 40 EKAB Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)c(F)c1 71326079 SGDDGMZLSBQHTD-UHFFFAOYSA-N 329.227 5.250 0 40 EKAB CCCc1cc(C(=O)N2CCC(c3ccccc3)CC2)sc1C 78254001 MLHAZRWOFNZUEN-UHFFFAOYSA-N 327.493 5.029 0 40 EKAB Clc1cccc(-c2nc3ccc(-n4cccc4)cc3o2)c1Cl 216744274 SEUFYVLHPRZBIR-UHFFFAOYSA-N 329.186 5.592 0 40 EKAB Fc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 409189689 NCYHZCWOGUJPRQ-OAUYIBNBSA-N 338.209 5.377 0 40 EKAB CC[C@@H](C(=O)c1ccc(OC(F)(F)C(F)F)cc1)c1ccccc1 575361104 QUPRJOOWPKKVAW-OAHLLOKOSA-N 340.316 5.300 0 40 EKAB O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1Cl 60730 HGVJYVFCOOQRTG-UHFFFAOYSA-N 345.023 5.008 0 40 EKAB O=C(C[C@H](SCc1ccco1)c1ccc(Cl)cc1)c1ccco1 239419 UGRVLCILSOGPPW-SFHVURJKSA-N 346.835 5.774 0 40 EKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(C)cc1 569890 BNUPVSHXMVYLGM-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB ClC1=C(c2ccccc2)[C@]2(CC2(Cl)Cl)C1(Cl)Cl 2257033 RMCYLLABFHUQLB-JTQLQIEISA-N 328.453 5.388 0 40 EKAB CCCc1sc(NC(=O)c2ccco2)nc1-c1cc(C)ccc1C 4616422 OTZSQQLSZUWFHV-UHFFFAOYSA-N 340.448 5.225 0 40 EKAB Cc1ccc(Nc2nnc(SCc3ccc(F)cc3)s2)cc1 5624333 KYSIWYFWRCBPAW-UHFFFAOYSA-N 331.441 5.022 0 40 EKAB CCCCCCNCc1ccc(OCc2ccccc2)c(OCC)c1 7261029 BQONTKSLYPNOCE-UHFFFAOYSA-N 341.495 5.334 0 40 EKAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 10275954 VBQJRVUGYKJNEJ-AWEZNQCLSA-N 329.871 5.057 0 40 EKAB C[C@H]1CCc2c(sc3nc4c(c(-c5ccccc5)c23)CCC[C@@H]4C)C1 12610180 IYMHJHAPFIDFFU-GJZGRUSLSA-N 347.527 6.528 0 40 EKAB O=C(Nc1cccc(Cl)c1)N[C@@H](c1ccccc1)c1cccs1 12869080 OTTXHRXPQUWNKH-KRWDZBQOSA-N 342.851 5.313 0 40 EKAB C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C(C)(C)C)cc1 13647876 XGHKQPBWKVHRRN-ATGUSINASA-N 341.882 5.528 0 40 EKAB O[C@H](Cn1c(-c2ccccc2Cl)nc2ccccc21)c1ccccc1 14287896 HNIVSRAOTSTWRB-HXUWFJFHSA-N 348.833 5.090 0 40 EKAB Clc1ccccc1COc1ccc(CNC2CCCCCC2)cc1 16449868 QSRAULLJTRYQNE-UHFFFAOYSA-N 343.898 5.731 0 40 EKAB CC(C)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 21835405 RQCLAISLTMZDDT-QGZVFWFLSA-N 335.369 5.223 0 40 EKAB O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc(F)cc1 58391918 CTNFFGLBMIFUDN-JOCHJYFZSA-N 347.433 5.275 0 40 EKAB Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C 59351171 JWGBEJABSHEJQP-KGXGESDWSA-N 348.273 5.501 0 40 EKAB CC(=O)Nc1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)cc1 67321894 GHIALRZCLGGRLV-UHFFFAOYSA-N 343.839 5.166 0 40 EKAB Cc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1C 71326258 GWQOSBWFIWEWJR-UHFFFAOYSA-N 340.370 5.011 0 40 EKAB C[C@@H](C(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 95471004 ZRMSYBROIANQHG-SECBINFHSA-N 328.626 5.389 0 40 EKAB CCc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 224230025 KSFTZNFOJAVPNF-UHFFFAOYSA-N 345.442 5.009 0 40 EKAB CCOc1ccccc1NC(=S)N[C@@H](CC(C)C)c1ccccc1 225492167 NYTGFGFSRTUTRU-SFHVURJKSA-N 342.508 5.159 0 40 EKAB COc1ccccc1C1=Nc2ccccc2N[C@H](c2cccc(F)c2)C1 227173706 CEORYKLJWQVJLW-FQEVSTJZSA-N 346.405 5.512 0 40 EKAB CCCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OC 409113492 BBLVUMBNLPVZMB-UHFFFAOYSA-N 333.859 5.366 0 40 EKAB Cc1ccc(-c2cccc([C@@]3(C)C[C@@H]3C(=O)O)c2)cc1C(F)(F)F 1615058109 LMRHHFBBVXBHIW-SJLPKXTDSA-N 334.337 5.043 0 40 EKAB Cc1cccc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)nc12 190906 HHNJZCPYBKLJBE-UHFFFAOYSA-N 337.231 5.164 0 40 EKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1-n1c(C)ccc1C 266061 OBYYTJYURDKIDM-UHFFFAOYSA-N 343.423 5.138 0 40 EKAB CCCCN(CCCC)C[C@@H](O)c1ccc(C2CCCCC2)cc1 1693428 MTRLKRMXNPZMKH-JOCHJYFZSA-N 331.544 5.670 0 40 EKAB CCCCOc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1 1768868 WQFKGQKVUCDXPD-UHFFFAOYSA-N 342.442 5.847 0 40 EKAB CCOC(=O)CCCCCCC(=O)c1cccc(Cl)c1Cl 2580337 GANNSLPPFDIBRT-UHFFFAOYSA-N 331.239 5.080 0 40 EKAB CCc1cccc(CC)c1NC(=O)CSCc1ccc(Cl)cc1 7483596 PEYLRVYYODHGSY-UHFFFAOYSA-N 347.911 5.337 0 40 EKAB Cc1nn2c(Cl)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 10493476 OIRVNBBYFSWXHN-UHFFFAOYSA-N 334.250 5.309 0 40 EKAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708332 IGNNKOGXZCKUAM-CQSZACIVSA-N 339.822 5.208 0 40 EKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1C 17071790 YIRIFYHASZTHCJ-UHFFFAOYSA-N 343.883 5.219 0 40 EKAB FC(F)(F)Oc1ccc(-n2c(-c3ccccc3)c[nH]c2=S)cc1 26424329 PCLAMISGDAOMDI-UHFFFAOYSA-N 336.338 5.100 0 40 EKAB Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1ccsc1 58081657 QMZRARXWZTXVFT-OAHLLOKOSA-N 330.478 5.110 0 40 EKAB CCC1CCC(CCC2CCC(c3ccc(F)c(F)c3)CC2)CC1 66351931 KYYJIBTUSXSVOK-UHFFFAOYSA-N 334.494 7.235 0 40 EKAB CCc1ccccc1NC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 68755565 NSUCUUIJPUCHCS-OAHLLOKOSA-N 333.431 5.153 0 40 EKAB CCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 96938008 NZEVKZAEMSMLMC-UHFFFAOYSA-N 348.490 5.611 0 40 EKAB c1ccc(/N=c2/sc3ccccc3s/c2=N/c2ccccc2)cc1 102965956 FMVHAGUFSUOTQL-FLFKKZLDSA-N 346.480 5.428 0 40 EKAB Fc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 107041097 LJYJEHLHKMXHPW-UHFFFAOYSA-N 341.813 5.670 0 40 EKAB CCCC[C@@H](CC)CNC(=O)c1ccccc1OCc1ccccc1 224273852 QJECESHKGWDRCB-GOSISDBHSA-N 339.479 5.212 0 40 EKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225704670 JRKMOWWQXNSETF-OAQYLSRUSA-N 349.515 5.344 0 40 EKAB Cc1ccc(C2=Nc3ccccc3N=C(c3cc(C)ccc3O)C2)cc1 509547 GFEDITQYBKNRKM-UHFFFAOYSA-N 340.426 5.654 0 40 EKAB Fc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12 1259618 NEUZIDOIDDWKBH-UHFFFAOYSA-N 333.341 5.319 0 40 EKAB Cc1cccc(C)c1Nc1nc(-c2ccccc2)nc2ccccc12 1771421 HLEHXMNIECWFAF-UHFFFAOYSA-N 325.415 5.657 0 40 EKAB O=C(NCC1(c2ccccc2)CCCC1)C1(c2ccccc2)CCCC1 2063293 XUXQFTQPYZTGDB-UHFFFAOYSA-N 347.502 5.127 0 40 EKAB Cc1ccc(NC(=S)Nc2c(Cl)cccc2Cl)cc1C 3455764 VKJVEXAAYYCNMP-UHFFFAOYSA-N 325.264 5.419 0 40 EKAB Cc1ccc(CO[C@@H]2C[C@@H](C)S[C@H]3C=CC(Cl)=C[C@@H]32)c(C)c1 4110306 GOYSMGSBVGBIAH-AXUOBQJMSA-N 334.912 5.391 0 40 EKAB Cc1ccc2nc(C)cc(Nc3ccc(Oc4ccccc4)cc3)c2c1 5485040 UGJRNZWYKRSLSN-UHFFFAOYSA-N 340.426 6.388 0 40 EKAB O=C(Cc1ccccc1)C[C@H](CC(=O)c1ccccc1)c1ccccc1 6574944 KZOFXXZQSPJPEM-JOCHJYFZSA-N 342.438 5.245 0 40 EKAB CCc1ccc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)cc1 8693996 AHTHXMGVFLDXQZ-DHDCSXOGSA-N 345.229 5.288 0 40 EKAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14400853 PXFMDOWWCMERIC-CQSZACIVSA-N 343.492 5.112 0 40 EKAB c1ccc(CCCn2c(CN3CCCCCC3)nc3ccccc32)cc1 31903407 MMOYPEPKYIINDM-UHFFFAOYSA-N 347.506 5.045 0 40 EKAB CC1(C)C[C@@H](NCCC2(Cc3ccc(F)cc3)CCCCC2)CCO1 32073368 XXFKJHGZDOLLAF-FQEVSTJZSA-N 347.518 5.256 0 40 EKAB CCN(C(=O)Nc1nc2ccccc2s1)[C@H](C)c1ccc(F)cc1 40151570 ZHSIEUBQNHWUII-GFCCVEGCSA-N 343.427 5.050 0 40 EKAB CC(=O)N(c1ccccc1)c1nc(CSc2cccs2)cs1 69657441 CHEMBBAAMVYCRX-UHFFFAOYSA-N 346.502 5.182 0 40 EKAB C/C=C/c1ccc(O[C@H](C)c2nc3c(C)cc(C)cc3[nH]2)c(OC)c1 82087035 XQFADPXFAQOAMR-LQYUOIDQSA-N 336.435 5.361 0 40 EKAB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)O 100743099 OMRDSKNXJYXBEL-ZOBOULBWSA-N 332.572 6.673 0 40 EKAB biogenic CCn1c(-c2ccc(F)cc2)cs/c1=N/c1ccc(Cl)cc1 103441371 CTTBKNGMCPKSBW-LVZFUZTISA-N 332.831 5.261 0 40 EKAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 113943370 IXONPKLJUHHFDR-CQSZACIVSA-N 343.492 5.112 0 40 EKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCC 409118096 SJDDTNYILYJNNA-UHFFFAOYSA-N 333.859 5.312 0 40 EKAB