smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccccc1O[C@H]1CCOC1)Nc1cccc2[nH]ccc12 159399603 LQXQZCGNUZWMBQ-ZDUSSCGKSA-N 337.379 3.980 70 50 EHIA Cc1sc(Cl)nc1C(=O)Nc1nc(-c2cccnc2)cs1 218131496 BBLVCOHQAFCMJL-UHFFFAOYSA-N 336.829 3.876 70 50 EHIA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@H]1c1ccccn1 216957897 JGIHMJZRQULXFX-KRWDZBQOSA-N 338.436 3.901 70 50 EHIA COC[C@H]1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl 218712406 KRGLUBQLXOYHJV-NOZJJQNGSA-N 335.753 3.904 70 50 EHIA O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2c(c3ccccc3oc2=O)O1 217843275 HVBZCVDEAYTKIE-NSHDSACASA-N 342.734 3.593 70 50 EHIA biogenic Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Cl 100104855 DRYHDNTYQPJDLU-UHFFFAOYSA-N 331.724 3.658 70 50 EHIA in-vitro CN(C1CCCCC1)[C@H](c1ccsc1)c1sc2ncnn2c1O 218503410 PYXWYWJFBNEJIS-CYBMUJFWSA-N 348.497 3.912 70 50 EHIA CN1CCCC[C@H]1CNC(=O)CCCc1ccc(C(C)(C)C)cc1 217192793 GHVRCNNVCIWEFO-IBGZPJMESA-N 330.516 3.907 70 50 EHIA OCc1cc2n(n1)CCCN(Cc1ccc(C3CCCCC3)s1)C2 218487169 FVGWEGVJHYYCKU-UHFFFAOYSA-N 345.512 3.891 70 50 EHIA COc1ccc2nc(-c3ccc(F)c(C(F)(F)F)c3)[nH]c(=O)c2c1 160348556 RITJLUCYMYBXMZ-UHFFFAOYSA-N 338.260 3.757 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc3ncccc3c1)CC(=O)O2 217785147 SRYXOFDJHVWJBQ-HNNXBMFYSA-N 333.343 3.584 70 50 EHIA biogenic NC1CC(c2cc(NCCSCc3cccc(Cl)c3)ncn2)C1 218069557 DHMJWSYJCGLHJY-UHFFFAOYSA-N 348.903 3.680 70 50 EHIA O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(c3ccccc3oc2=O)O1 218415869 ZFTOZFBGUWYQLI-SNVBAGLBSA-N 346.260 3.651 70 50 EHIA CCC(CC)(CC)CNC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 159956671 ONWKBFYUQJBKHW-KRWDZBQOSA-N 340.508 3.572 70 50 EHIA O=C1C[C@H](c2ccc(O)c(Cl)c2)c2c(c3ccccc3oc2=O)O1 217843371 HVBZCVDEAYTKIE-LLVKDONJSA-N 342.734 3.593 70 50 EHIA biogenic O[C@H](C[C@H]1CCCN1c1ccnc(C2CC2)n1)c1ccc(F)cc1 161176662 OAHZUPZAXFDBQK-IAGOWNOFSA-N 327.403 3.586 70 50 EHIA Cc1n[nH]c(C)c1CCNC(=O)[C@]1(c2ccccc2)CC12CCCC2 217698279 VJGXYDNRXQOZKW-OAQYLSRUSA-N 337.467 3.587 70 50 EHIA CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1sc(-c2ncccn2)nc1C 161062215 BRGVZAOGSHFJLZ-KBPBESRZSA-N 344.484 3.949 70 50 EHIA CC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(C)no1 218776156 MDHPDCPSKPEULE-AWEZNQCLSA-N 333.819 3.721 70 50 EHIA O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC[C@H]1c1cccnc1 218125771 SJUGUQWBEFVIAZ-KRWDZBQOSA-N 338.436 3.901 70 50 EHIA biogenic Cc1nc2ccc(CNC(=O)Cc3ccccc3C(F)(F)F)cc2[nH]1 218581526 PJCGRRFKIRNSAV-UHFFFAOYSA-N 347.340 3.749 70 50 EHIA COc1cccc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c1 218357607 GGTLVBGXTAZFFG-SFHVURJKSA-N 337.423 3.709 70 50 EHIA CSc1ccccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 218267145 CJWNRAGEJNWRSK-INIZCTEOSA-N 342.464 3.625 70 50 EHIA Cc1n[nH]c(C)c1CCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 217698179 VJGXYDNRXQOZKW-NRFANRHFSA-N 337.467 3.587 70 50 EHIA CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc2[nH]ccc2c1 217901970 JMPKVVOBZPYKCS-UHFFFAOYSA-N 346.390 3.720 70 50 EHIA biogenic CC(C)c1sc(Cl)nc1C(=O)NCc1nc2ccccc2[nH]1 218347413 HQRZCJXRRWNHMN-UHFFFAOYSA-N 334.832 3.726 70 50 EHIA O=C(Nc1ccnn1CC1CC1)c1ccc2c(c1)C(=O)c1ccccc1-2 160265816 QFDQPGJNPWHJIT-UHFFFAOYSA-N 343.386 3.757 70 50 EHIA Cc1ccc2c(c1)[C@H](NC(=O)c1cnn(CC(C)C)c1C1CC1)CO2 160332367 RBHNIICVWGHWMB-QGZVFWFLSA-N 339.439 3.588 70 50 EHIA C[C@@H](C(=O)NCc1cnn(C)c1)c1ccc(-c2ccccc2)c(F)c1 217851770 TZFBNPJUVNOVKT-CQSZACIVSA-N 337.398 3.646 70 50 EHIA Cc1cc(NC(=O)C[C@H](C)c2ccncc2)n(-c2ccccc2F)n1 159715779 ZRNNNBZBFGYYPH-ZDUSSCGKSA-N 338.386 3.847 70 50 EHIA Cc1[nH]c2ccccc2c1CC(=O)N1CC(c2nc3ccccc3[nH]2)C1 217035905 YXDYUJYLFDTVAB-UHFFFAOYSA-N 344.418 3.521 70 50 EHIA Cc1cc(COc2ccccc2)oc1C(=O)NCC[C@H]1CCCCO1 217395277 KCHKRMVIYPYVJP-QGZVFWFLSA-N 343.423 3.856 70 50 EHIA CC(C)Oc1ccccc1CSc1nnc(-c2ccccn2)n1C 159562907 HKDJPYYINLMCOH-UHFFFAOYSA-N 340.452 3.957 70 50 EHIA CSc1nc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cs1 218783188 CPLIUEYYGQQEOV-CQSZACIVSA-N 348.493 3.686 70 50 EHIA CC1CCN(c2cccc(NC(=O)N3C[C@H](C)OC(C)(C)C3)c2)CC1 159762695 WJNGCAXIKRSWKB-INIZCTEOSA-N 345.487 3.954 70 50 EHIA COCc1nc2cc(C[C@@H]3CC(=O)N(c4ccccc4)C3)ccc2o1 218593491 YSSFJWKHNHXQLO-OAHLLOKOSA-N 336.391 3.570 70 50 EHIA O=C(CC1CC1)N1CC[C@H]2[C@H](CCC(=O)N2CCC2=CCCCC2)C1 217005792 JLYFOZLAVNKOSF-MOPGFXCFSA-N 344.499 3.517 70 50 EHIA Cc1nc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c(C)s1 218296698 ZBLHEONDROVQAF-HNNXBMFYSA-N 342.468 3.774 70 50 EHIA CCc1cc(O)nc(CN[C@@H](c2ccccc2)c2ccc(C)cc2)n1 160544109 CSFSUUKBMSTRPC-NRFANRHFSA-N 333.435 3.932 70 50 EHIA Oc1c([C@@H](c2ccsc2)N2CCCCCC2)sc2ncnn12 218471403 BHCDLWPLNKPDMV-GFCCVEGCSA-N 334.470 3.523 70 50 EHIA CSCc1ccc(C(=O)N2CCC3(CC2)CNc2ccccc23)o1 217754591 BCEKXNGUZYVKIT-UHFFFAOYSA-N 342.464 3.742 70 50 EHIA CCCc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cs1 218421834 WESXEAGFJUWRAG-KRWDZBQOSA-N 344.480 3.917 70 50 EHIA O=S(=O)(Cl)c1ccc(Br)c(C(F)(F)F)c1F 1775956242 FWWMPJLJJNBHOU-UHFFFAOYSA-N 341.507 3.535 70 50 EHIA N#CC(C=S)=P(c1ccccc1)(c1ccccc1)c1ccccc1 409415852 YICHXACMFPBRLX-UHFFFAOYSA-N 345.407 3.676 70 50 EHIA COc1ccccc1C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C 218300971 FNZFDBWPCYITRC-SFHVURJKSA-N 337.423 3.709 70 50 EHIA O=C(Nc1ccc(Br)c(Cl)c1)N[C@H]1CCCC[C@@H]1O 161347380 UFRYEBSZQJSBFQ-RYUDHWBXSA-N 347.640 3.528 70 50 EHIA CSc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1 218308880 WYWXTMABPFZMGR-AWEZNQCLSA-N 328.389 3.758 70 50 EHIA CSCc1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)o1 218591484 ZPAKRZBZIOAUFV-UHFFFAOYSA-N 336.501 3.623 70 50 EHIA CC(C)c1cc([C@@H]2CCCN2C(=O)c2scc3c2OCCO3)no1 218005632 AFGGVAGZTXNCRY-LBPRGKRZSA-N 348.424 3.608 70 50 EHIA Cn1ccc(NC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)n1 161260527 SCLOGTZGXIHLLQ-UHFFFAOYSA-N 343.774 3.905 70 50 EHIA CC(C)(Br)C(=O)OCCC[Si](Cl)(Cl)Cl 196135369 GEVOCWHKMYIZGM-UHFFFAOYSA-N 342.520 3.749 70 50 EHIA O=C(Cc1c(F)ccc(F)c1F)NCc1cc2cc(F)ccc2[nH]1 218750409 LFYRGACNLYNAJM-UHFFFAOYSA-N 336.288 3.583 70 50 EHIA CCCn1nc(C)c(CNC(=O)CSCc2ccccc2C)c1C 218445870 XXTYEMZAYKWMHM-UHFFFAOYSA-N 345.512 3.768 70 50 EHIA CN(C1CCCCC1)[C@@H](c1ccsc1)c1sc2ncnn2c1O 218503503 PYXWYWJFBNEJIS-ZDUSSCGKSA-N 348.497 3.912 70 50 EHIA O=C(N1CC[C@H](c2ccc(F)cc2)C1)C1(N2CCCC2)CCCC1 218386433 SBIFJBBLNOPPBQ-KRWDZBQOSA-N 330.447 3.550 70 50 EHIA CSc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1 218308926 WYWXTMABPFZMGR-CQSZACIVSA-N 328.389 3.758 70 50 EHIA O=C1CCCC1=P(c1ccccc1)(c1ccccc1)c1ccccc1 95670804 CVPGAJURWPTFCB-UHFFFAOYSA-N 344.394 3.906 70 50 EHIA CCN(Cc1noc(C2CCC2)n1)C(=O)CCc1ccc(F)c(F)c1 218084403 YSBMFOSUWRRFQS-UHFFFAOYSA-N 349.381 3.597 70 50 EHIA CC(C)(C)C[C@@H](NC(=O)CSc1ccccn1)c1cccnc1 218703744 CUCJNWQUCIYQJN-OAHLLOKOSA-N 329.469 3.862 70 50 EHIA O=C1C[C@H](c2ccccc2)c2c(ccc3c(=O)c(Cl)coc23)O1 217892036 OYMONFDPDYQRRR-GFCCVEGCSA-N 326.735 3.887 70 50 EHIA biogenic Cc1nc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)oc1C 161027796 IXEPLILFPMCBGO-LSDHHAIUSA-N 340.345 3.618 70 50 EHIA c1ccc(-c2ncc(CN3CCO[C@H](c4nccs4)C3)s2)cc1 161436689 BTJDPGXFMVDGQU-HNNXBMFYSA-N 343.477 3.840 70 50 EHIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1csc3ccccc13)C2 216911733 RTJYGVAHPULVCW-CYBMUJFWSA-N 327.453 3.557 70 50 EHIA Cc1nc(C)c(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)s1 218317479 ZLWBCQBWPBWKAL-HNNXBMFYSA-N 342.468 3.774 70 50 EHIA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H]1CCc2ccccc2C1 217204072 QDECBONEBBKDOE-FQEVSTJZSA-N 345.446 3.636 70 50 EHIA CN(C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCc2c1cnn2C 159902181 SRENVGORFLEEOJ-CQSZACIVSA-N 336.798 3.754 70 50 EHIA O=C1C[C@@H](c2ccccc2)c2c(ccc3c(=O)c(Cl)coc23)O1 217891948 OYMONFDPDYQRRR-LBPRGKRZSA-N 326.735 3.887 70 50 EHIA biogenic O=C(NC[C@@H]1CCCCO1)c1ccccc1OCCc1ccccc1 217153147 SQFHYDRHTFLVDZ-SFHVURJKSA-N 339.435 3.607 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(OC(C)C)cc1)CC(=O)O2 217764575 LRBPDYZZHMWDKW-MRXNPFEDSA-N 340.375 3.823 70 50 EHIA biogenic COc1cc(NC(=O)[C@H]2C[C@H]2c2sccc2C)cc(OC)c1OC 160012945 TZJQJINUWAFKHM-OLZOCXBDSA-N 347.436 3.825 70 50 EHIA C[C@@H]1CCO[C@H]1C(=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 160853986 JYOQGCYQIAQKNM-PIGZYNQJSA-N 339.347 3.620 70 50 EHIA O=C(CCc1c[nH]c2ccccc12)NCCn1ccc2ccccc21 217603821 LUZDGNDIGVFJOB-UHFFFAOYSA-N 331.419 3.872 70 50 EHIA biogenic O=S(=O)(Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 100013306 XEMAYRPWJCLKBQ-UHFFFAOYSA-N 337.706 3.820 70 50 EHIA CC(C)c1cc(C(=O)N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)c(O)c(C(C)C)c1 217912044 JBGPWDNMBWDJHB-LDLYASANSA-N 344.499 3.519 70 50 EHIA COc1cccc(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 159726309 JKVZNZLXLOJZTG-BEFAXECRSA-N 340.423 3.985 70 50 EHIA Cc1noc2nc3c(c(C(=O)NCc4cccc(Cl)c4)c12)CCC3 218126267 QQKSGJOUXHUSFX-UHFFFAOYSA-N 341.798 3.603 70 50 EHIA Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)n(-c2ccccc2F)n1 159715643 ZRNNNBZBFGYYPH-CYBMUJFWSA-N 338.386 3.847 70 50 EHIA Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccccn1 160296757 MWRXKIYQHBLBTB-HNNXBMFYSA-N 346.862 3.873 70 50 EHIA COCCn1cc(CCCC(=O)Nc2ccccn2)c2ccccc21 218269982 YHQCFQDBKFJHKD-UHFFFAOYSA-N 337.423 3.644 70 50 EHIA Cc1ccccc1[Si](Cl)(c1ccccc1C)c1ccccc1C 169816161 HPQGAYBKOJXAEZ-UHFFFAOYSA-N 336.938 3.818 70 50 EHIA O=C(NCC1(c2ccccc2F)CCCC1)[C@@H]1Cc2ccccc2O1 218408903 WYHHGKCFSMMAKJ-IBGZPJMESA-N 339.410 3.757 70 50 EHIA Cc1[nH]c2ccc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc2c1C 217836184 CKESOXJUHXOFCW-FXAWDEMLSA-N 339.483 3.779 70 50 EHIA biogenic CN1CCCC[C@@H]1CNC(=O)CCCc1ccc(C(C)(C)C)cc1 217192787 GHVRCNNVCIWEFO-LJQANCHMSA-N 330.516 3.907 70 50 EHIA COc1cc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc(OC)c1OC 160013376 TZJQJINUWAFKHM-QWHCGFSZSA-N 347.436 3.825 70 50 EHIA CCN(CC)Cc1cc(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c(C)o1 217195376 LQYCAPKHCYSIJQ-AWEZNQCLSA-N 346.475 3.603 70 50 EHIA O=S(=O)(Oc1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)F 97972480 UFWHNHSIIJQVSA-UHFFFAOYSA-N 328.617 3.587 70 50 EHIA Cc1nc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)oc1C 161027663 IXEPLILFPMCBGO-HUUCEWRRSA-N 340.345 3.618 70 50 EHIA Cc1cccc(C2=CCN(C(=O)c3cnc(C(F)(F)F)nc3)CC2)c1 159802568 JRRHWCNLMUEBPV-UHFFFAOYSA-N 347.340 3.733 70 50 EHIA CN1CCC2(CC1)CCN(C(=O)c1cccc(-c3ccccc3)c1)C2 218619860 HGVDRYKZRZTHRI-UHFFFAOYSA-N 334.463 3.912 70 50 EHIA CCC(CC)(CC)CNC(=O)N1CCC(OC[C@H]2CCCO2)CC1 159956829 ONWKBFYUQJBKHW-QGZVFWFLSA-N 340.508 3.572 70 50 EHIA COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1cccc2ccccc12 217973851 ODQQYIFGCCCACJ-INIZCTEOSA-N 338.359 3.502 70 50 EHIA biogenic Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)on1 217194192 NTTPKVZVTOSRMK-MUJYYYPQSA-N 328.387 3.981 70 50 EHIA CCCO[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 218576395 LMWGMEPGGPYWNC-CQSZACIVSA-N 329.362 3.666 70 50 EHIA Cc1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(C)n1C 218541360 DEKFSOLOHZITOJ-UHFFFAOYSA-N 328.431 3.876 70 50 EHIA Oc1c([C@H](c2ccsc2)N2CCCCCC2)sc2ncnn12 218471485 BHCDLWPLNKPDMV-LBPRGKRZSA-N 334.470 3.523 70 50 EHIA C[C@H](O)c1cc2n(n1)CCCN(Cc1csc3ccccc13)C2 216911761 RTJYGVAHPULVCW-ZDUSSCGKSA-N 327.453 3.557 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc(OC(C)C)cc1)CC(=O)O2 217764504 LRBPDYZZHMWDKW-INIZCTEOSA-N 340.375 3.823 70 50 EHIA biogenic CC(C)n1cccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 160099844 TWFRBOMHISURDK-UHFFFAOYSA-N 345.830 3.867 70 50 EHIA C[C@@H](Cc1cnccn1)N(C)C(=O)c1cc2c(s1)CCCCC2 218135685 SORKOQJWGKNJJG-ZDUSSCGKSA-N 329.469 3.510 70 50 EHIA CC(C)Oc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 217649678 GWUIZUMUUYFQKW-CQSZACIVSA-N 326.348 3.644 70 50 EHIA biogenic Cc1cc(OC(C)(C)C(=O)N(C)Cc2cnccn2)cc(C)c1Cl 217046574 CDPFKBQWOYMRSR-UHFFFAOYSA-N 347.846 3.563 70 50 EHIA COC(=O)C[C@H]1c2cc3c(cc2Oc2nc4ccccc4cc21)OCO3 217930488 YXEAMVZMXVBTRS-LBPRGKRZSA-N 349.342 3.764 70 50 EHIA biogenic COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)c2ccccc12 218119353 IQTBQDSEIXLMGR-OAHLLOKOSA-N 336.343 3.551 70 50 EHIA biogenic CC1(CCC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 218654315 LWTGTRFUMZKKKT-LAGYLCCXSA-N 338.451 3.743 70 50 EHIA COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1cccc2ccccc12 217973946 ODQQYIFGCCCACJ-MRXNPFEDSA-N 338.359 3.502 70 50 EHIA biogenic Cc1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)oc2ccccc12 217706759 BLXQVTGCSHQMBQ-DOTOQJQBSA-N 326.440 3.736 70 50 EHIA biogenic Nc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1Cl 218163778 LCUGXCRWFKZFBB-GFCCVEGCSA-N 336.798 3.542 70 50 EHIA O=C(NCc1ccccn1)c1sc(Cl)nc1-c1ccccc1 218455943 FNKGRNDRQNDDJG-UHFFFAOYSA-N 329.812 3.789 70 50 EHIA CN(Cc1ncc[nH]1)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 216939670 FOQYDWZGCJKNNR-UHFFFAOYSA-N 343.471 3.983 70 50 EHIA O=C(NCCc1cc2ccccc2[nH]1)c1c[nH]nc1-c1ccccc1F 159674620 SBBFABXNVHRVMS-UHFFFAOYSA-N 348.381 3.670 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc(F)cc1Cl)CC(=O)O2 218342569 BXJVWRMVMNAEST-LBPRGKRZSA-N 334.730 3.828 70 50 EHIA O=C(CC1(n2cccc2)CCOCC1)Nc1cccc2ncccc12 218251159 WLTUSPAYHNGTSS-UHFFFAOYSA-N 335.407 3.571 70 50 EHIA CC(=O)N[C@H]1CN(Cc2cc(C)cc(F)c2)C[C@@H]1c1ccc(C)cc1 216650998 KESOJCPFBOQVFV-RTWAWAEBSA-N 340.442 3.547 70 50 EHIA COc1cccc2ccn(CCC(=O)Nc3nnc(C(C)C)s3)c12 218297822 YFFVUAZMGVKCAQ-UHFFFAOYSA-N 344.440 3.654 70 50 EHIA COC[C@@H]1CCN(C(=O)c2ccc(CSc3ccc(C)cc3)o2)C1 218355605 WDFRGZAPGZGIPS-OAHLLOKOSA-N 345.464 3.989 70 50 EHIA c1ccc(-c2ncc(CN3CCO[C@@H](c4nccs4)C3)s2)cc1 161436815 BTJDPGXFMVDGQU-OAHLLOKOSA-N 343.477 3.840 70 50 EHIA CC[C@H](NC(=O)c1csc2c1CCCC2)c1cn2cccnc2n1 217786292 HBAVXMAUGSCUOM-AWEZNQCLSA-N 340.452 3.551 70 50 EHIA Cc1ccc(CN(C)C(=O)CN2CC[C@H](c3ccccc3)C2)s1 218709851 SMVWQRONDXVTLE-KRWDZBQOSA-N 328.481 3.504 70 50 EHIA O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(c3ccccc3oc2=O)O1 217617643 XKLLSYUXXITVSP-OAHLLOKOSA-N 346.338 3.662 70 50 EHIA biogenic COC[C@H]1CCN(C(=O)c2ccccc2Cc2ccc(C)c(F)c2)C1 218110531 FYMNERBPHQPFMX-KRWDZBQOSA-N 341.426 3.833 70 50 EHIA Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)c1 160694026 CPZGLFSWMORYSL-IBGZPJMESA-N 346.434 3.861 70 50 EHIA CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1sc(-c2ncccn2)nc1C 161062071 BRGVZAOGSHFJLZ-KGLIPLIRSA-N 344.484 3.949 70 50 EHIA O=C(c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1CN1CCCC1 218168300 SMCMPZWDDWCQAZ-MRXNPFEDSA-N 340.389 3.796 70 50 EHIA CCN(Cc1ccccc1)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 217087691 PCALELCCDFMJND-OAHLLOKOSA-N 348.454 3.781 70 50 EHIA Cc1ccc2c(c1)[C@@H](NC(=O)c1cnn(CC(C)C)c1C1CC1)CO2 160332487 RBHNIICVWGHWMB-KRWDZBQOSA-N 339.439 3.588 70 50 EHIA CSCc1ccc(C(=O)NC2CCN(c3ccc(F)cc3)CC2)o1 218374118 IXMZLYTUUJDMJT-UHFFFAOYSA-N 348.443 3.681 70 50 EHIA c1ccc(-c2ccc(Cn3cccn3)cc2)c(CN[C@@H]2CCCOC2)c1 160749270 KRSGCGBVALQQRK-OAQYLSRUSA-N 347.462 3.867 70 50 EHIA C[C@H](NC(=O)Nc1cccc2c1OCCO2)c1cccc(F)c1F 159740240 QBERZGWOSKZRHP-JTQLQIEISA-N 334.322 3.619 70 50 EHIA CN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@@H]1c1ccccc1 217153320 XUJYHUKVWYMCSQ-OAQYLSRUSA-N 346.478 3.576 70 50 EHIA CN(C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCc2c1cnn2C 159902329 SRENVGORFLEEOJ-AWEZNQCLSA-N 336.798 3.754 70 50 EHIA O=S(=O)(F)Oc1ccc(CN2CCC[C@@H]2c2ccccc2)cc1 1875387495 KJMKZEDOVWNVGU-QGZVFWFLSA-N 335.400 3.617 70 50 EHIA Cc1c(C(=O)Nc2ccc(OC(F)F)c(F)c2)cnn1CC(C)C 159423951 ZYVRKWURHXUHJN-UHFFFAOYSA-N 341.333 3.840 70 50 EHIA Cc1ccccc1[C@H](NC(=O)Cc1ccccc1F)c1ccncc1 218776354 LLTSJBZWRAMCFT-OAQYLSRUSA-N 334.394 3.977 70 50 EHIA Cc1ccc(OCc2ccc(C(=O)N(C)Cc3cnccn3)cc2)cc1 218076382 NNUQWSGBYHPKIM-UHFFFAOYSA-N 347.418 3.636 70 50 EHIA O=C(Cc1cc(F)c(F)cc1F)NC1(c2nccs2)CCCC1 160460191 VCNBFMDMFXKPLP-UHFFFAOYSA-N 340.370 3.689 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc(F)c(Cl)c1)CC(=O)O2 218141724 QHSLUIZWBDFYAO-NSHDSACASA-N 334.730 3.828 70 50 EHIA O=C(CCc1cccc(Cl)c1)N1CC(c2nc3ccccc3[nH]2)C1 217685948 UAOKSLPJKCNKRG-UHFFFAOYSA-N 339.826 3.775 70 50 EHIA Cc1nc2sc([C@@H](c3ccsc3)N3CCCCCC3)c(O)n2n1 218447276 PIYXSTGGPOYAIL-CYBMUJFWSA-N 348.497 3.832 70 50 EHIA Cc1nc(CNC(=O)[C@]2(c3ccccc3)CC23CCCC3)cs1 217841889 XGDYZPYAVYLLBV-LJQANCHMSA-N 326.465 3.970 70 50 EHIA CCCCSCc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)oc1C 217393670 FOUUBZUQNGUUGM-LBPRGKRZSA-N 335.473 3.846 70 50 EHIA O=C(CO[C@@H]1C#CCCCCC1)Oc1c(F)c(F)c(F)c(F)c1F 149838809 FTKRNGMQMZGSDF-VIFPVBQESA-N 348.267 3.640 70 50 EHIA COc1ccccc1[C@@H]1CCCN1C(=O)c1c(C)[nH]c(C(C)=O)c1C 217041394 NJLMAJLBTNQSHH-INIZCTEOSA-N 340.423 3.820 70 50 EHIA CN(Cc1ccc2ncccc2c1)C(=O)Cc1ccc(O)c(Cl)c1 217706048 JOFDILMIBPZZPO-UHFFFAOYSA-N 340.810 3.795 70 50 EHIA Cc1noc2nc3c(c(C(=O)NCCC4=CCCCC4)c12)CCC3 218188120 NQYOVYJMKDMOLA-UHFFFAOYSA-N 325.412 3.640 70 50 EHIA Cc1ccccc1CN1CCC(NC(=O)N2CCC3(CCC3)C2)CC1 160022296 RSNJZVPYGACKBZ-UHFFFAOYSA-N 341.499 3.545 70 50 EHIA Cc1cc(COc2ccccc2)oc1C(=O)NCC[C@@H]1CCCCO1 217395186 KCHKRMVIYPYVJP-KRWDZBQOSA-N 343.423 3.856 70 50 EHIA CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C 218421506 FLQCXVFMIVYWSN-KRWDZBQOSA-N 325.387 3.840 70 50 EHIA O=C(c1cncc(F)c1)N(Cc1ccccn1)c1ccc(F)cc1 160079921 JFFFJOOSKWRXPR-UHFFFAOYSA-N 325.318 3.602 70 50 EHIA Cc1c(S(=O)(=O)Cl)sc2ccc(Br)cc12 95708125 YSXQHKIUGBLJKG-UHFFFAOYSA-N 325.636 3.900 70 50 EHIA Cc1ccc2c(n1)oc1c(OS(=O)(=O)C(F)(F)F)cccc12 146223654 IVBUSTUQAWHPIQ-UHFFFAOYSA-N 331.271 3.518 70 50 EHIA CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1sc(-c2ncccn2)nc1C 161062308 BRGVZAOGSHFJLZ-ZIAGYGMSSA-N 344.484 3.949 70 50 EHIA Cc1nc(CNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)cs1 217841815 XGDYZPYAVYLLBV-IBGZPJMESA-N 326.465 3.970 70 50 EHIA COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)c2ccccc12 218119256 IQTBQDSEIXLMGR-HNNXBMFYSA-N 336.343 3.551 70 50 EHIA biogenic COC[C@@H]1CCC[C@@H]1Nc1cc(-c2ccccc2F)nc2ccnn12 216973753 MCPWZXAKQXNJFB-BBRMVZONSA-N 340.402 3.762 70 50 EHIA CC[C@@H](NC(=O)c1cccc(-c2cccc(F)c2)c1)[C@H]1C[C@@H](O)C1 218487590 GZLIFFUVNAUVPC-BHIYHBOVSA-N 327.399 3.772 70 50 EHIA Cc1ccc(Cc2ccccc2C(=O)N(C)Cc2cnccn2)cc1F 216931710 DXCXEOGICYKNHQ-UHFFFAOYSA-N 349.409 3.787 70 50 EHIA CC(=O)NC1CCC(Nc2cccc(N3CCCCCC3)c2)CC1 161186966 DPQHHAPWRFRUOZ-UHFFFAOYSA-N 329.488 3.926 70 50 EHIA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@@H]1c1ccccn1 216957879 JGIHMJZRQULXFX-QGZVFWFLSA-N 338.436 3.901 70 50 EHIA CCC(=O)Nc1ccc(SC[C@@H]2CCCN3CCCC[C@H]23)nc1 218052578 LNSUGMJFFQEZJQ-GOEBONIOSA-N 333.501 3.787 70 50 EHIA biogenic CC1(CCC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 218654247 LWTGTRFUMZKKKT-MKJPBZQASA-N 338.451 3.743 70 50 EHIA COc1ccccc1-c1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1 218411929 IXEIJUUOOKRVII-SFHVURJKSA-N 338.451 3.528 70 50 EHIA COc1ccc(NC(C)=O)c(NCc2noc(C3CCCCC3)n2)c1 161312641 IJFJFGXOHGMQPB-UHFFFAOYSA-N 344.415 3.696 70 50 EHIA COc1cccc2c1ccn2CC(=O)N1CCCC[C@H]1c1cccnc1 218031993 RJOBCAFAVLNCDM-SFHVURJKSA-N 349.434 3.799 70 50 EHIA biogenic O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@@H](N2CCCC2=O)C1 217952967 PMLHXIJCOOSUNC-HXUWFJFHSA-N 348.446 3.581 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@@H](c1cccc(OC(F)F)c1)CC(=O)O2 218413932 IYFOUERVHUPCJR-CYBMUJFWSA-N 348.301 3.637 70 50 EHIA COc1ccccc1-c1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 218411863 IXEIJUUOOKRVII-GOSISDBHSA-N 338.451 3.528 70 50 EHIA Cc1ccc(Cc2ccccc2C(=O)N(C)Cc2ccon2)cc1F 217948406 AUCSCLDLDDLVLN-UHFFFAOYSA-N 338.382 3.985 70 50 EHIA O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N[C@@H]1C[C@@H]2OCC[C@@H]21 218311591 DSHFPXMVEDWCRB-NXHRZFHOSA-N 344.842 3.561 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@H](c1cccc(OC(F)F)c1)CC(=O)O2 218413846 IYFOUERVHUPCJR-ZDUSSCGKSA-N 348.301 3.637 70 50 EHIA Cc1cccc(CNC(=O)CCc2ccc(-c3cccs3)o2)n1 217058584 HPSCQXMQAKMZLR-UHFFFAOYSA-N 326.421 3.961 70 50 EHIA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccco2)cc1 218182651 HVPLEQYHTQXBRK-QGZVFWFLSA-N 349.386 3.859 70 50 EHIA COc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)cc(OC)c1OC 160013089 TZJQJINUWAFKHM-STQMWFEESA-N 347.436 3.825 70 50 EHIA O=C(NC[C@@H](c1ccccc1)C1CCCC1)c1cc(Cl)c[nH]c1=O 218396432 DTVFMELBIBISPL-KRWDZBQOSA-N 344.842 3.732 70 50 EHIA Cc1cc(C[C@H](C)NC(=O)C2(c3ccccc3)CCCCC2)[nH]n1 218703974 PSRUCFIRGJCTLW-HNNXBMFYSA-N 325.456 3.667 70 50 EHIA CCC(C=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100268971 DCKVHIDYCFPCLP-UHFFFAOYSA-N 332.383 3.762 70 50 EHIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccco2)nc2ccccc12 218365124 DMJPUDCQHHZNGF-FZKQIMNGSA-N 338.407 3.632 70 50 EHIA O=C(NCC1(c2ccccc2F)CCCC1)[C@H]1Cc2ccccc2O1 218408977 WYHHGKCFSMMAKJ-LJQANCHMSA-N 339.410 3.757 70 50 EHIA O=C(NC[C@H]1CCCCO1)c1ccccc1OCCc1ccccc1 217153156 SQFHYDRHTFLVDZ-GOSISDBHSA-N 339.435 3.607 70 50 EHIA CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccco2)cc1 218182725 HVPLEQYHTQXBRK-KRWDZBQOSA-N 349.386 3.859 70 50 EHIA COc1ccccc1[C@H]1CCCN1C(=O)c1c(C)[nH]c(C(C)=O)c1C 217041425 NJLMAJLBTNQSHH-MRXNPFEDSA-N 340.423 3.820 70 50 EHIA C[C@H]1CCO[C@H]1C(=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 160854119 JYOQGCYQIAQKNM-APPDUMDISA-N 339.347 3.620 70 50 EHIA CCc1n[nH]c(-c2ccccc2NC(=O)c2cc3ccccc3n2C)n1 161125269 WPCULLLKBFBKRW-UHFFFAOYSA-N 345.406 3.778 70 50 EHIA O=S(=O)(F)N1CCCCC[C@@H]1c1nc(C2CCCCCC2)no1 1875368453 RWNCHYLSUGWFNF-CYBMUJFWSA-N 345.440 3.639 70 50 EHIA O=S(=O)(F)Oc1ccc(CN2CCC[C@H]2c2ccccc2)cc1 1875387494 KJMKZEDOVWNVGU-KRWDZBQOSA-N 335.400 3.617 70 50 EHIA COc1ccnc(CNC(=O)C2c3ccccc3-c3ccccc32)c1 218314031 XFAOZXPZTCZZOI-UHFFFAOYSA-N 330.387 3.519 70 50 EHIA CCN(Cc1noc(C)n1)C(=O)Cc1ccc(-c2ccccc2)cc1 218257869 WDCNITQNLPKWJT-UHFFFAOYSA-N 335.407 3.636 70 50 EHIA CC1(C)C[C@H](NC(=O)c2scc3c2OCCO3)c2ccccc2O1 218708357 TWLCZCGMNXXUFV-LBPRGKRZSA-N 345.420 3.552 70 50 EHIA C[C@H](C(=O)NCc1cnn(C)c1)c1ccc(-c2ccccc2)c(F)c1 217851812 TZFBNPJUVNOVKT-AWEZNQCLSA-N 337.398 3.646 70 50 EHIA COc1ccc(OCC2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 218058488 BJHWHNPUKJYEOH-UHFFFAOYSA-N 343.423 3.836 70 50 EHIA CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)nc(N)n1 217170424 MOIRCOYVUYBJKU-KRWDZBQOSA-N 342.418 3.689 70 50 EHIA Cc1nc2sc([C@H](c3ccsc3)N3CCCCCC3)c(O)n2n1 218447347 PIYXSTGGPOYAIL-ZDUSSCGKSA-N 348.497 3.832 70 50 EHIA c1ccc(-c2ccc(Cn3cccn3)cc2)c(CN[C@H]2CCCOC2)c1 160749377 KRSGCGBVALQQRK-NRFANRHFSA-N 347.462 3.867 70 50 EHIA CC(=O)NC1CCC(Nc2ccccc2N2CCCCCC2)CC1 161110773 JLGFZQKVKGUHOW-UHFFFAOYSA-N 329.488 3.926 70 50 EHIA FC(F)(F)c1ccccc1CN1CCO[C@H](c2nccs2)C1 161437814 OJDPPZINEBIFKZ-ZDUSSCGKSA-N 328.359 3.735 70 50 EHIA Cn1cnc(-c2ccc(NC(=O)N(Cc3ccccc3)C3CC3)cc2)n1 161002047 QMWQZGYTHPRGMB-UHFFFAOYSA-N 347.422 3.679 70 50 EHIA O=C(NCc1nc(C2CCCCC2)no1)c1sccc1Cl 218769931 TZZUXXYRGFPFQJ-UHFFFAOYSA-N 325.821 3.762 70 50 EHIA CC(C)Oc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 217649589 GWUIZUMUUYFQKW-AWEZNQCLSA-N 326.348 3.644 70 50 EHIA biogenic Cc1ncsc1CCN(C)C(=O)CCCc1c[nH]c2ccccc12 217058075 GMGARWJRBQZPCU-UHFFFAOYSA-N 341.480 3.957 70 50 EHIA CC(C)(C)C[C@H](NC(=O)CSc1ccccn1)c1cccnc1 218703809 CUCJNWQUCIYQJN-HNNXBMFYSA-N 329.469 3.862 70 50 EHIA Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccccn1 160296878 MWRXKIYQHBLBTB-OAHLLOKOSA-N 346.862 3.873 70 50 EHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1ccsc1)CC(=O)O3 217730955 JQFPKJAAGDSPOU-GFCCVEGCSA-N 328.389 3.933 70 50 EHIA biogenic CCc1ccc(C(=O)N2CCCOc3c(cccc3OC)C2)s1 217548119 DRQYKUFSSNHETP-UHFFFAOYSA-N 331.437 3.744 70 50 EHIA O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](c2ccncn2)C1 217619395 JHDYDGZYZHRQPT-OAHLLOKOSA-N 341.480 3.827 70 50 EHIA CCCOCN(C(=O)CCl)c1c(C)cccc1OCC(C)C 143799032 KBDPMAIYQDDLRP-UHFFFAOYSA-N 327.852 3.986 70 50 EHIA COc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(C)n1 161220512 VCEHZAXYMRPPNG-UHFFFAOYSA-N 328.265 3.809 70 50 EHIA CCSc1nc(CC(=O)N2CCCC[C@@H]2c2ccccn2)cs1 217341339 UANBBZGOEZZZKT-OAHLLOKOSA-N 347.509 3.946 70 50 EHIA CC(C)c1cc([C@H]2CCCN2C(=O)c2scc3c2OCCO3)no1 218005719 AFGGVAGZTXNCRY-GFCCVEGCSA-N 348.424 3.608 70 50 EHIA O=C(Nc1ccc2[nH]ccc2c1)c1ccnc(OCC(F)(F)F)c1 159711644 FUBOFBGTVTZVRW-UHFFFAOYSA-N 335.285 3.756 70 50 EHIA Cn1c(C(=O)NCCCc2nc3ccccc3o2)cc2ccccc21 218346775 LKPKSSCWBWRFBO-UHFFFAOYSA-N 333.391 3.682 70 50 EHIA Cn1cnc2cc(C(=O)N(Cc3ccoc3)C3CCCCC3)cnc21 159894952 ZTXITXCICSKFMK-UHFFFAOYSA-N 338.411 3.536 70 50 EHIA COc1ccccc1[C@H]1CCCN1C(=O)CCCn1nc(C)cc1C 218011784 DDJMISXNNZDNGQ-GOSISDBHSA-N 341.455 3.652 70 50 EHIA O=S(=O)(Cl)c1c(Cl)sc(Cl)c1Br 95708126 NAHZODWKWDZKSZ-UHFFFAOYSA-N 330.439 3.745 70 50 EHIA CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)nc(N)n1 217170416 MOIRCOYVUYBJKU-QGZVFWFLSA-N 342.418 3.689 70 50 EHIA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H]1CCc2ccccc2C1 217204065 QDECBONEBBKDOE-HXUWFJFHSA-N 345.446 3.636 70 50 EHIA COc1cccc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 159726192 JKVZNZLXLOJZTG-HNAYVOBHSA-N 340.423 3.985 70 50 EHIA CCc1cc(O)nc(CN[C@H](c2ccccc2)c2ccc(C)cc2)n1 160544214 CSFSUUKBMSTRPC-OAQYLSRUSA-N 333.435 3.932 70 50 EHIA COc1cccc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1 159726426 JKVZNZLXLOJZTG-DNVCBOLYSA-N 340.423 3.985 70 50 EHIA CC(C)CN(Cc1cnc2ccccn12)C[C@@H](O)c1ccc(F)cc1 160484770 AHVHGVFZXPAWQS-LJQANCHMSA-N 341.430 3.665 70 50 EHIA NC1CC(c2cc(NCc3ccc(Cl)s3)nc(C3CC3)n2)C1 218479114 UETVWOADIBOTCY-UHFFFAOYSA-N 334.876 3.886 70 50 EHIA COc1cccc(C2(C(=O)Nc3ccc(OC)c(N)c3)CCCC2)c1 161134613 CYTYXASWGPJASS-UHFFFAOYSA-N 340.423 3.737 70 50 EHIA COC(=O)C[C@@H]1c2cc3c(cc2Oc2nc4ccccc4cc21)OCO3 217930579 YXEAMVZMXVBTRS-GFCCVEGCSA-N 349.342 3.764 70 50 EHIA biogenic CCCCSCc1cc(C(=O)N[C@H](C)c2cnn(C)c2)oc1C 217393757 FOUUBZUQNGUUGM-GFCCVEGCSA-N 335.473 3.846 70 50 EHIA CCSc1nc(CC(=O)N2CCCC[C@H]2c2ccccn2)cs1 217341420 UANBBZGOEZZZKT-HNNXBMFYSA-N 347.509 3.946 70 50 EHIA O=S(=O)(Cl)c1ccc(CC[Si](Cl)(Cl)Cl)cc1 195763134 IHBDUARGLPMOND-UHFFFAOYSA-N 338.115 3.812 70 50 EHIA Cc1cc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c[nH]c1=O 159444642 YYQHPSQLHJDRDB-UHFFFAOYSA-N 330.693 3.608 70 50 EHIA COC[C@H]1CCN(C(=O)c2ccc(CSc3ccc(C)cc3)o2)C1 218355668 WDFRGZAPGZGIPS-HNNXBMFYSA-N 345.464 3.989 70 50 EHIA CCCOc1ccccc1NCc1ccc(OS(=O)(=O)F)cc1 1875384321 DZIOVJHVFVKSGU-UHFFFAOYSA-N 339.388 3.681 70 50 EHIA Cc1ncsc1CCN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 216959932 UGRQYYVYYHVYIR-NSHDSACASA-N 334.510 3.953 70 50 EHIA COc1ccc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)cc1 218373665 FFNIHSOZUUPLQB-SFHVURJKSA-N 337.423 3.709 70 50 EHIA CCCc1cc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)cs1 218421772 WESXEAGFJUWRAG-QGZVFWFLSA-N 344.480 3.917 70 50 EHIA Cc1cc(CN2CCC(C)CC2)c(C)c(CN2CCN(C)[C@@H](C)C2)c1 217657697 ZMIRHZXAXZAZEX-IBGZPJMESA-N 343.559 3.671 70 50 EHIA O=C(Nc1ccccc1)c1cc(=O)c(OCc2ccccc2F)co1 218335408 PDSDSYUAUCTEJU-UHFFFAOYSA-N 339.322 3.610 70 50 EHIA Cc1c[nH]nc1C1CCN(C(=O)c2csc3c2CCCC3)CC1 217833254 PRRAZLDPYNZNCB-UHFFFAOYSA-N 329.469 3.678 70 50 EHIA Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)c1 160694144 CPZGLFSWMORYSL-LJQANCHMSA-N 346.434 3.861 70 50 EHIA C[C@H]1CCO[C@@H]1C(=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 160853870 JYOQGCYQIAQKNM-GTNSWQLSSA-N 339.347 3.620 70 50 EHIA Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Cl 100021578 SFCPZZWCCWLXPJ-UHFFFAOYSA-N 325.695 3.596 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc3ncccc3c1)CC(=O)O2 217785225 SRYXOFDJHVWJBQ-OAHLLOKOSA-N 333.343 3.584 70 50 EHIA biogenic O=C(c1cccc(C(F)(F)F)c1)N1CCCC[C@H]1CN1CCCC1 218168385 SMCMPZWDDWCQAZ-INIZCTEOSA-N 340.389 3.796 70 50 EHIA COC[C@@H]1CCN(C(=O)c2ccccc2Cc2ccc(C)c(F)c2)C1 218110444 FYMNERBPHQPFMX-QGZVFWFLSA-N 341.426 3.833 70 50 EHIA CC(C)(C)n1ccc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c1 218309468 PHGFPGOGCHWWJD-GOSISDBHSA-N 336.439 3.611 70 50 EHIA O=C(Cc1cc(F)c(F)cc1F)N1CCCC[C@H]1c1cccnc1 218464105 CDQVTBQMHAKDDI-KRWDZBQOSA-N 334.341 3.795 70 50 EHIA Cc1cccc(-c2ccccc2C(=O)NCCc2nc(C3CC3)no2)c1 217062972 MAXWLLYTEANNRU-UHFFFAOYSA-N 347.418 3.895 70 50 EHIA Cc1nn(C)c2nc3c(c(C(=O)Nc4cccc(Cl)c4)c12)CCC3 218559377 QNXOQVIQZHKFQO-UHFFFAOYSA-N 340.814 3.671 70 50 EHIA O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](c2ccncn2)C1 217619488 JHDYDGZYZHRQPT-HNNXBMFYSA-N 341.480 3.827 70 50 EHIA c1ccc(B2OC(c3ccccc3)(c3ccccc3)[C@@H]3CCCN23)cc1 169988882 GXAMQZFEKIDKAP-QFIPXVFZSA-N 339.247 3.820 70 50 EHIA Cc1scc(C(=O)N[C@@H](C)Cc2cnccn2)c1-c1ccccc1 218410817 RGTRYEBMIGOPTI-ZDUSSCGKSA-N 337.448 3.875 70 50 EHIA Cc1nnc(-c2ccccc2C(=O)N[C@@H]2C[C@H]2C2CCCCC2)o1 160102035 ZGNONIHVQYSSMY-DLBZAZTESA-N 325.412 3.744 70 50 EHIA C[C@@H](NC(=O)Nc1cccc2c1OCCO2)c1cccc(F)c1F 159740383 QBERZGWOSKZRHP-SNVBAGLBSA-N 334.322 3.619 70 50 EHIA Nc1[nH]nc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1Cl 218163840 LCUGXCRWFKZFBB-LBPRGKRZSA-N 336.798 3.542 70 50 EHIA Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)n1 160094421 WRTFVFSNEHKYLW-UHFFFAOYSA-N 347.365 3.509 70 50 EHIA O[C@H](C[C@@H]1CCCN1c1ccnc(C2CC2)n1)c1ccc(F)cc1 161176422 OAHZUPZAXFDBQK-DLBZAZTESA-N 327.403 3.586 70 50 EHIA CCCc1cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cs1 218087386 MJXFYPUJFFBTAO-UHFFFAOYSA-N 325.437 3.817 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(F)cc1Cl)CC(=O)O2 218342650 BXJVWRMVMNAEST-GFCCVEGCSA-N 334.730 3.828 70 50 EHIA Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cc1c(C)[nH]c2ccccc12 218041535 XBLCPVDYLZUTJY-SFHVURJKSA-N 337.423 3.987 70 50 EHIA CC[C@H](NC(=O)c1cccc(-c2cccc(F)c2)c1)[C@H]1C[C@@H](O)C1 218487681 GZLIFFUVNAUVPC-WDSOQIARSA-N 327.399 3.772 70 50 EHIA CC[C@H]1CCCC[C@H]1N(C)C(=O)c1sc(-c2ncccn2)nc1C 161062430 BRGVZAOGSHFJLZ-UONOGXRCSA-N 344.484 3.949 70 50 EHIA Cc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)s1 216718582 CBTZESFNEPYFMO-MSOLQXFVSA-N 340.492 3.680 70 50 EHIA CCSc1ccc(C(=O)N(C)CCc2scnc2C)s1 217839512 OWCVLLYTJZOHQF-UHFFFAOYSA-N 326.512 3.940 70 50 EHIA Cc1ccc(SCCn2cc(CCO)c(C(F)(F)F)n2)cc1C 159466918 QUOUROCZRRCGAM-UHFFFAOYSA-N 344.402 3.846 70 50 EHIA Cc1cc(C)n(CCCC(=O)N(C)Cc2[nH]c3ccccc3c2C)n1 218434882 MQZAQVHOWVGNEY-UHFFFAOYSA-N 338.455 3.728 70 50 EHIA O=S(=O)(Oc1ccc(SC(F)(F)F)cc1)C(F)(F)F 100007050 YYBAGZUYNXKDQD-UHFFFAOYSA-N 326.239 3.527 70 50 EHIA CCc1oc2ccccc2c1C(=O)N(C)CCCn1ccnc1C 160971475 DTJKFBNUBKSSQA-UHFFFAOYSA-N 325.412 3.662 70 50 EHIA COc1cccc(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 159726063 JKVZNZLXLOJZTG-KXBFYZLASA-N 340.423 3.985 70 50 EHIA Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c(C)[nH]c2ccccc12 218041602 XBLCPVDYLZUTJY-GOSISDBHSA-N 337.423 3.987 70 50 EHIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc2c(Cl)cccc2[nH]1 217929608 ZIAOWARRTKNEFG-SCLBCKFNSA-N 345.874 3.816 70 50 EHIA biogenic Cc1ccc(Cc2ccccc2C(=O)N2CCc3n[nH]cc3C2)cc1F 217073306 BKAJLUOJTLVWSH-UHFFFAOYSA-N 349.409 3.647 70 50 EHIA N#Cc1sc2cc(C(F)(F)F)ccc2c1S(=O)(=O)Cl 725344164 JCTVYJYRLHEUHP-UHFFFAOYSA-N 325.720 3.719 70 50 EHIA Cc1cc(OS(=O)(=O)F)nc(-c2ccc(-c3ccccc3)cc2)n1 1875368539 ZIAJEFKCDGNLPS-UHFFFAOYSA-N 344.367 3.712 70 50 EHIA C[C@@H]1CCO[C@@H]1C(=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 160853738 JYOQGCYQIAQKNM-DIFFPNOSSA-N 339.347 3.620 70 50 EHIA O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@H](N2CCCC2=O)C1 217953050 PMLHXIJCOOSUNC-FQEVSTJZSA-N 348.446 3.581 70 50 EHIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(F)c(Cl)c1)CC(=O)O2 218141801 QHSLUIZWBDFYAO-LLVKDONJSA-N 334.730 3.828 70 50 EHIA Cc1ccc(CN(C)C(=O)CN2CC[C@@H](c3ccccc3)C2)s1 218709779 SMVWQRONDXVTLE-QGZVFWFLSA-N 328.481 3.504 70 50 EHIA CCCC(C)(C)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1 257354981 HZGQDLXAMQHXQC-UHFFFAOYSA-N 325.352 3.906 70 50 EHIA O=C(Oc1ccccc1)c1cc2ccccc2cc1OS(=O)(=O)F 1875376067 XSIZPEACWYWASL-UHFFFAOYSA-N 346.335 3.652 70 50 EHIA CC(=O)c1csc(C(=O)Nc2ccccc2-n2ccc(C)n2)c1 161293206 AODHGPRERZHEAT-UHFFFAOYSA-N 325.393 3.697 70 50 EHIA CC[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1nc(C)c(C)s1 218179755 NFNNTDVGEDMXRJ-ZDUSSCGKSA-N 338.860 3.929 70 50 EHIA O=S(=O)(Oc1ccc(-c2cncs2)cc1Cl)C(F)(F)F 310009957 JVMLIWDAOPWODU-UHFFFAOYSA-N 343.735 3.692 70 50 EHIA CNC[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 161151563 PYGRJYGFGSXUPO-OAHLLOKOSA-N 344.480 3.556 70 50 EHIA Cn1cc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21 218127881 LFMVOHORPCOJKA-IBGZPJMESA-N 333.435 3.870 70 50 EHIA biogenic FC(F)(F)c1ccccc1CN1CCO[C@@H](c2nccs2)C1 161437956 OJDPPZINEBIFKZ-CYBMUJFWSA-N 328.359 3.735 70 50 EHIA C[Si](C)(C)c1cc2ccccc2cc1OS(=O)(=O)C(F)(F)F 197900728 OSZYFPWWHQEAGW-UHFFFAOYSA-N 348.418 3.613 70 50 EHIA CCCCSCc1cc(C(=O)N2CCc3n[nH]cc3C2)oc1C 217127707 YSKRULHIZCREKR-UHFFFAOYSA-N 333.457 3.543 70 50 EHIA CN(Cc1cc(C2CC2)on1)C(=O)Cc1ccc(C(F)(F)F)cc1 218408213 JFMFDVLSVWPZAG-UHFFFAOYSA-N 338.329 3.772 70 50 EHIA O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2c(c3ccccc3oc2=O)O1 218415783 ZFTOZFBGUWYQLI-JTQLQIEISA-N 346.260 3.651 70 50 EHIA CC[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1nc(C)no1 218776086 MDHPDCPSKPEULE-CQSZACIVSA-N 333.819 3.721 70 50 EHIA C[SiH](C)c1c(Cl)c(Cl)c([SiH](C)C)c(Cl)c1Cl 169816753 GQLDOLDWXXNHRK-UHFFFAOYSA-N 332.206 3.688 70 50 EHIA CN(Cc1nc2ccccc2s1)C(=O)CCc1cc(Cl)no1 217017311 LCJOCUKTQWCFAT-UHFFFAOYSA-N 335.816 3.529 70 50 EHIA O=C(CCc1ccc2c(c1)CCO2)N1CCCC[C@H]1c1cccnc1 218065884 JJJVTNLLFHGZLC-IBGZPJMESA-N 336.435 3.703 70 50 EHIA biogenic CC1(C)C[C@@H](NC(=O)c2scc3c2OCCO3)c2ccccc2O1 218708279 TWLCZCGMNXXUFV-GFCCVEGCSA-N 345.420 3.552 70 50 EHIA COc1ccc2c(ccn2CC(=O)N2CCCC[C@H]2c2cccnc2)c1 218009623 BNNJJOHWZSUGGO-FQEVSTJZSA-N 349.434 3.799 70 50 EHIA biogenic O=C(N1CC[C@@H](c2ccc(F)cc2)C1)C1(N2CCCC2)CCCC1 218386326 SBIFJBBLNOPPBQ-QGZVFWFLSA-N 330.447 3.550 70 50 EHIA Cc1scc(C(=O)N[C@H](C)Cc2cnccn2)c1-c1ccccc1 218410903 RGTRYEBMIGOPTI-CYBMUJFWSA-N 337.448 3.875 70 50 EHIA Cc1cc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)n(C)n1 160506524 AHOGCUFTERVNGX-UHFFFAOYSA-N 346.390 3.713 70 50 EHIA CCCCCCCCCCCCS(=O)(=O)CCS(=O)(=O)F 100295907 HPTBMHXXCASGER-UHFFFAOYSA-N 344.514 3.621 70 50 EHIA Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 160105132 PQXFFNGWZBYDFO-GOEBONIOSA-N 325.412 3.744 70 50 EHIA CC[C@@H](NC(=O)c1csc2c1CCCC2)c1cn2cccnc2n1 217786212 HBAVXMAUGSCUOM-CQSZACIVSA-N 340.452 3.551 70 50 EHIA COCc1nc2cc(C[C@H]3CC(=O)N(c4ccccc4)C3)ccc2o1 218593556 YSSFJWKHNHXQLO-HNNXBMFYSA-N 336.391 3.570 70 50 EHIA CCCn1c(C)nnc1CN(C[C@@H]1CCCO1)C1CCC(C)CC1 159680327 YZFIUYBXPKLZDR-VJFUWPCTSA-N 334.508 3.556 70 50 EHIA O[C@@H](C[C@@H]1CCCN1c1ccnc(C2CC2)n1)c1ccc(F)cc1 161176526 OAHZUPZAXFDBQK-IRXDYDNUSA-N 327.403 3.586 70 50 EHIA O=S(=O)(F)N1CCCCC[C@H]1c1nc(C2CCCCCC2)no1 1875368454 RWNCHYLSUGWFNF-ZDUSSCGKSA-N 345.440 3.639 70 50 EHIA COc1ccccc1[C@@H]1CCCN1C(=O)CCCn1nc(C)cc1C 218011717 DDJMISXNNZDNGQ-SFHVURJKSA-N 341.455 3.652 70 50 EHIA Cc1cccc(Cl)c1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218240132 YMGVYDAORWIKAU-NBMRYCAZSA-N 333.859 3.972 70 50 EHIA CC(C)Oc1ccc(C(=O)N(C)Cc2cnc3ccccc3n2)cc1 218081956 ALCUVMUEXJRQPP-UHFFFAOYSA-N 335.407 3.689 70 50 EHIA Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cnc(C(F)(F)F)nc3)C2)c1 160436385 UUHYNTPLBNOTSV-CYBMUJFWSA-N 349.356 3.742 70 50 EHIA Cc1cccc(C(=O)N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)c1C 216788412 CRVKZYMOERFWEX-KNQAVFIVSA-N 337.463 3.759 70 50 EHIA Cc1ccccc1[C@@H](NC(=O)Cc1ccccc1F)c1ccncc1 218776257 LLTSJBZWRAMCFT-NRFANRHFSA-N 334.394 3.977 70 50 EHIA CSc1nc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cs1 218783105 CPLIUEYYGQQEOV-AWEZNQCLSA-N 348.493 3.686 70 50 EHIA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(C)(C)C)c1 218369631 NNGBSLWFHICJJS-UHFFFAOYSA-N 338.411 3.565 70 50 EHIA O=C(NCc1cccnc1)c1sc(Cl)nc1-c1ccccc1 218514593 CRKQRKQVSPZQEW-UHFFFAOYSA-N 329.812 3.789 70 50 EHIA CC(C)CN(Cc1cnc2ccccn12)C[C@H](O)c1ccc(F)cc1 160484632 AHVHGVFZXPAWQS-IBGZPJMESA-N 341.430 3.665 70 50 EHIA c1ccc(-c2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1 169817110 CHLHVMLLEOAIAL-UHFFFAOYSA-N 336.510 3.602 70 50 EHIA O=C(CCc1cccnc1)NCc1cc(-c2ccccc2Cl)on1 218375786 YJGGMGPCDFWMMA-UHFFFAOYSA-N 341.798 3.639 70 50 EHIA CC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1nc(C)c(C)s1 218179666 NFNNTDVGEDMXRJ-CYBMUJFWSA-N 338.860 3.929 70 50 EHIA CC(C)[C@H](NC(=O)Cc1ccc(F)cc1)c1nc2ccccc2n1C 218181348 XGUGSAYOLXDEDH-IBGZPJMESA-N 339.414 3.768 70 50 EHIA O=C(c1ccc(SCCO)cc1)N1CCc2c(Cl)cccc2C1 217830997 XDFQBTSWHZPYDM-UHFFFAOYSA-N 347.867 3.623 70 50 EHIA Cc1nn(Cc2noc(C3CCCCC3)n2)c(C)c1Br 159803620 VHTNKUHKUFCJLM-UHFFFAOYSA-N 339.237 3.741 70 50 EHIA COc1ccc(-c2cc(C(=O)Nc3ccc4cc[nH]c4c3)n(C)n2)cc1 218176151 FGMSYRSHZYOXFE-UHFFFAOYSA-N 346.390 3.829 70 50 EHIA O=C(CO[C@H]1C#CCCCCC1)Oc1c(F)c(F)c(F)c(F)c1F 149838595 FTKRNGMQMZGSDF-SECBINFHSA-N 348.267 3.640 70 50 EHIA CC(C)(C)n1ccc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1 218309417 PHGFPGOGCHWWJD-SFHVURJKSA-N 336.439 3.611 70 50 EHIA CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1ccsc1)CC(=O)O3 217730866 JQFPKJAAGDSPOU-LBPRGKRZSA-N 328.389 3.933 70 50 EHIA biogenic O=C1C[C@H](c2ccc3ncccc3c2)c2c(c3ccccc3oc2=O)O1 217900970 ZLPDIRKNEIXETG-OAHLLOKOSA-N 343.338 3.782 70 50 EHIA biogenic Cc1cc(C)cc([C@H]2CCN(C(=O)c3cnc(C(F)(F)F)nc3)C2)c1 160436529 UUHYNTPLBNOTSV-ZDUSSCGKSA-N 349.356 3.742 70 50 EHIA CC(C)Nc1ccc(C(=O)Nc2cc(C3CCCCC3)nn2C)cn1 160569162 GZFFBTHXOOJUET-UHFFFAOYSA-N 341.459 3.935 70 50 EHIA C[C@H](Cc1cnccn1)N(C)C(=O)c1cc2c(s1)CCCCC2 218135759 SORKOQJWGKNJJG-CYBMUJFWSA-N 329.469 3.510 70 50 EHIA Cc1cc(NC(=O)Nc2ccc(F)cc2)ccc1S(=O)(=O)Cl 95698080 GEZVBRLDHUYOTF-UHFFFAOYSA-N 342.779 3.706 70 50 EHIA CCCO[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 218576477 LMWGMEPGGPYWNC-AWEZNQCLSA-N 329.362 3.666 70 50 EHIA O=C(NC[C@H](c1ccccc1)C1CCCC1)c1cc(Cl)c[nH]c1=O 218396498 DTVFMELBIBISPL-QGZVFWFLSA-N 344.842 3.732 70 50 EHIA COc1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)cc(OC)c1OC 160013217 TZJQJINUWAFKHM-CHWSQXEVSA-N 347.436 3.825 70 50 EHIA O=S(=O)(Oc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F 97972253 OPRXMOUXEBTAAH-UHFFFAOYSA-N 328.617 3.587 70 50 EHIA in-vitro CNC[C@@H]1CCCN1C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 161151659 PYGRJYGFGSXUPO-HNNXBMFYSA-N 344.480 3.556 70 50 EHIA O[C@@H](C[C@H]1CCCN1c1ccnc(C2CC2)n1)c1ccc(F)cc1 161176770 OAHZUPZAXFDBQK-SJORKVTESA-N 327.403 3.586 70 50 EHIA CSc1ccccc1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 218267199 CJWNRAGEJNWRSK-MRXNPFEDSA-N 342.464 3.625 70 50 EHIA O=C1C[C@@H](c2ccc3ncccc3c2)c2c(c3ccccc3oc2=O)O1 217900921 ZLPDIRKNEIXETG-HNNXBMFYSA-N 343.338 3.782 70 50 EHIA biogenic COC(=O)COc1ccc2occ(-c3ccc(OC)c(OC)c3)c2c1 217613069 WCUQGCVQSJCGGN-UHFFFAOYSA-N 342.347 3.669 70 50 EHIA biogenic O=C(Nc1ccccc1O[C@@H]1CCOC1)Nc1cccc2[nH]ccc12 159399466 LQXQZCGNUZWMBQ-CYBMUJFWSA-N 337.379 3.980 70 50 EHIA CN(Cc1cccnc1)C(=O)c1cccc(CN2CCCCCC2)c1 217181949 RLCPIMBUHRDVJQ-UHFFFAOYSA-N 337.467 3.730 70 50 EHIA O=C(NCc1ccc(-c2ccccc2)o1)C1(N2CCCC2)CCCC1 216982009 JMLMDXBRPQMJQO-UHFFFAOYSA-N 338.451 3.971 70 50 EHIA CCN(CC)Cc1cc(C(=O)N(C)[C@H](C)c2c(C)n[nH]c2C)c(C)o1 217195384 LQYCAPKHCYSIJQ-CQSZACIVSA-N 346.475 3.603 70 50 EHIA CC1CCN(c2cccc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)c2)CC1 159762824 WJNGCAXIKRSWKB-MRXNPFEDSA-N 345.487 3.954 70 50 EHIA O=S(=O)(Cl)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 100179927 XLLFBEQKESGDJW-UHFFFAOYSA-N 326.645 3.793 70 50 EHIA Cc1cc(C)n(-c2cccc(CN(CC3CC3)C[C@@H]3CCCO3)c2)n1 218138859 KUFVKFRLMMNWLN-NRFANRHFSA-N 339.483 3.880 70 50 EHIA Cn1ccc2c(NC(=O)CC3(n4cccc4)CCOCC3)cccc21 218298671 VXYOJKGROGXLAJ-UHFFFAOYSA-N 337.423 3.514 70 50 EHIA CCN(Cc1ccccc1)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 217087664 PCALELCCDFMJND-HNNXBMFYSA-N 348.454 3.781 70 50 EHIA Cc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3)CCCCC2)[nH]n1 218703902 PSRUCFIRGJCTLW-OAHLLOKOSA-N 325.456 3.667 70 50 EHIA Cc1cc(C)n(-c2cccc(CN(CC3CC3)C[C@H]3CCCO3)c2)n1 218138942 KUFVKFRLMMNWLN-OAQYLSRUSA-N 339.483 3.880 70 50 EHIA CC[C@@H]1[C@@H](NC(=O)CSCc2ccccc2Cl)[C@@H]2CCO[C@@H]21 218294806 UWQUUKVMYCJZCD-DLTLXFJOSA-N 339.888 3.503 70 50 EHIA Cc1ncsc1CCN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 216959913 UGRQYYVYYHVYIR-LLVKDONJSA-N 334.510 3.953 70 50 EHIA O=C1C[C@@H](C2=Cc3ccccc3OC2)c2c(c3ccccc3oc2=O)O1 217617564 XKLLSYUXXITVSP-HNNXBMFYSA-N 346.338 3.662 70 50 EHIA biogenic CCCn1c(C)nnc1CN(C[C@H]1CCCO1)C1CCC(C)CC1 159680489 YZFIUYBXPKLZDR-VMWRSERWSA-N 334.508 3.556 70 50 EHIA O=C(c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 216637520 RADSGNIYOFKODR-YJBOKZPZSA-N 332.875 3.677 70 50 EHIA