smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1 87013 NRERDDJDCLQSIQ-UHFFFAOYSA-N 331.165 4.231 0 50 EIAA biogenic CC(C)(C)c1cc(C(=O)NCCN2CCCC2)cc(C(C)(C)C)c1 383074 JJJAZEISKYWVDO-UHFFFAOYSA-N 330.516 4.107 0 50 EIAA COc1cccc(-c2nc(N3CCC[C@@H](C)C3)c3ccccc3n2)c1O 554632 QZGLKAPEKDFRMX-CQSZACIVSA-N 349.434 4.247 0 50 EIAA CSc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(C)C 4821145 AYIDVAIDPGBCCR-UHFFFAOYSA-N 342.464 4.047 0 50 EIAA COc1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 6128023 INQGPUNSLFFJID-UHFFFAOYSA-N 337.463 4.109 0 50 EIAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 6701960 GMEDZMQPPJDJKA-LLVKDONJSA-N 348.855 4.418 0 50 EIAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1 7055977 MCFUSCCHNBESSZ-UHFFFAOYSA-N 345.342 4.003 0 50 EIAA CCN1CCC[C@H](c2nnc3cc(C)c4ccc(Cl)cc4n23)C1 32537480 RCMNRMPLGWKLLI-ZDUSSCGKSA-N 328.847 4.044 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N(C)[C@@H](C)c3cncs3)c2c1 77304056 QAKOLRQSBVTQIC-AWEZNQCLSA-N 339.464 4.450 0 50 EIAA Cc1nn(C)c(C)c1CN(C(=O)c1ccc2sccc2c1)C1CC1 91770501 AIGQOHVFLALFPD-UHFFFAOYSA-N 339.464 4.056 0 50 EIAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN(c2cccc(Cl)c2)CC1 100418128 QWQHXLIMSBCLOX-QFBILLFUSA-N 330.903 4.454 0 50 EIAA CC(C)Oc1cncc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 151148727 SHBWONRCKYAKMV-LJQANCHMSA-N 339.439 4.021 0 50 EIAA FC(F)(F)c1ccc2sc(NCc3nnc(C4CC4)o3)nc2c1 170601962 RSWXTDNGVLYTPP-UHFFFAOYSA-N 340.330 4.188 0 50 EIAA CCCN(CCc1ccccn1)C(=O)[C@@H](C)c1cc2ccccc2o1 176211248 CYQOQTXRIWOLLW-INIZCTEOSA-N 336.435 4.413 0 50 EIAA COc1ccc2cc(CNc3cccc4c3OCC[C@@H]4O)ccc2c1 184084184 INWFFIDLVVRPOK-FQEVSTJZSA-N 335.403 4.276 0 50 EIAA CC[C@H](C)Oc1cc(C(=O)N2CCC[C@@H]2c2csc(C)n2)ccn1 187126675 XQZLXFKKTMKTLE-BLLLJJGKSA-N 345.468 4.001 0 50 EIAA Cc1ccc(-c2nnc(N3CCC[C@@H]3c3cccs3)n2C)s1 225688183 CWLNIXFSFQMOAR-GFCCVEGCSA-N 330.482 4.255 0 50 EIAA O=C(C1CC1)N1CCCN(Cc2cccc3c2oc2ccccc23)CC1 244882499 XTBDIKSEIKLVGR-UHFFFAOYSA-N 348.446 4.030 0 50 EIAA Oc1ccc([C@@H]2c3sc(O)nc3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 250242457 INQVDHLYPDIHJN-SIQYZQNWSA-N 331.462 4.207 0 50 EIAA CC(C)[C@@H]1C[C@@H](Nc2cccc(CN3CCC[C@@H]3C(=N)O)c2)CS1 331380853 IQQKRJCOWHHCOJ-KURKYZTESA-N 347.528 4.128 0 50 EIAA Fc1cccc(OC(F)F)c1-c1nc(C2CCOCC2)cs1 408519614 GKJTXNDOCHBFJS-UHFFFAOYSA-N 329.343 4.445 0 50 EIAA COCc1ncsc1C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 671225380 REXNSTVCXJSIPC-OAHLLOKOSA-N 344.480 4.123 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)c3cccc(C(C)C)n3)cc2)nn1 675561193 AFDZLMUDSOZLNS-UHFFFAOYSA-N 348.406 4.348 0 50 EIAA Cc1ccc(C(=O)N2CCCN(Cc3ccsc3)CC2)cc1Cl 1529153799 VMRSHENPTWPDRI-UHFFFAOYSA-N 348.899 4.058 0 50 EIAA c1cncc(-c2ccc(N[C@H]3COC4(CCC4)C3)c3ncccc23)c1 1875305385 CBAOHYFZGHVLCH-MRXNPFEDSA-N 331.419 4.420 0 50 EIAA Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1 993440 SFDAJSHIVSTKDE-UHFFFAOYSA-N 335.359 4.102 0 50 EIAA COc1ccc(OC)c(NC(=O)CCCOc2ccc(Cl)cc2)c1 1773590 PXQSFVAPAPSLJT-UHFFFAOYSA-N 349.814 4.155 0 50 EIAA CC(C)(C)c1ccccc1OCCOCCNCc1ccccc1 2822998 XUZGDRAGXPDWRV-UHFFFAOYSA-N 327.468 4.169 0 50 EIAA O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc2ccccc12 5581843 BAFIUGLAUOJTLN-BUHFOSPRSA-N 332.428 4.366 0 50 EIAA CSc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 6824261 CLEXMFYPGWFGTK-SNVBAGLBSA-N 349.839 4.282 0 50 EIAA Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NCc3ccco3)nc2C1 10156894 WVJOLRDENPAOME-OAHLLOKOSA-N 347.418 4.211 0 50 EIAA CC(=O)c1cccc(CNCc2cccnc2Oc2ccc(C)nc2)c1 15063776 ZXPIYWKHABMSKJ-UHFFFAOYSA-N 347.418 4.070 0 50 EIAA CCOC(=O)C1=C(C(F)(F)F)Nc2cc(Cl)c(Cl)cc2N1 16159019 WZLILJDBHZNVHW-UHFFFAOYSA-N 341.116 4.168 0 50 EIAA in-vitro CCC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1 86029381 VWMUCEDXVAQLNS-UHFFFAOYSA-N 326.392 4.253 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)C2=Cc3ccccc3OC=C2)c(C)s1 95361295 MBTTUTKTMBHVBT-LBPRGKRZSA-N 340.448 4.269 0 50 EIAA CC(C)Sc1ccccc1NC(=O)NC[C@H](c1ccco1)N(C)C 135403445 LGWJBGPZMZUZKF-OAHLLOKOSA-N 347.484 4.205 0 50 EIAA CN(C)[C@@H](c1nc(-c2ccccc2OCc2ccccc2)no1)C1CC1 170602075 MTXTVURALPQYHL-LJQANCHMSA-N 349.434 4.328 0 50 EIAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNc1nnc(C2CC2)o1 181516202 PJHZQOWNORFDKA-UHFFFAOYSA-N 343.818 4.015 0 50 EIAA CCc1noc(CC)c1CN[C@@H](C)c1ccc(Br)o1 192945391 NJCDBFMIJGRZCQ-VIFPVBQESA-N 327.222 4.006 0 50 EIAA CC1(C)CCc2ccccc2[C@@H](NC(=O)Cc2c[nH]c3ncccc23)C1 225656256 PWLAYXQFSRBIFJ-IBGZPJMESA-N 347.462 4.325 0 50 EIAA Fc1ccc(F)c(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c1 239402700 RBMDUBBCLOBBET-VQTJNVASSA-N 334.454 4.194 0 50 EIAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCc4ccccc43)c2)o1 266027473 BQEGOOGVXSZBGD-SFHVURJKSA-N 333.391 4.104 0 50 EIAA Cc1scc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C 273315726 PYIYJGYTCRDEIV-SJLPKXTDSA-N 347.455 4.496 0 50 EIAA CC(C)(C)OCc1cccc(NC(=O)[C@H]2CCc3cccc(O)c32)c1 885618165 PXYOVZVQJSJMEU-KRWDZBQOSA-N 339.435 4.376 0 50 EIAA CN(CCCOc1ccccc1Cl)Cc1cc(C(C)(C)C)n[nH]1 952987437 DTSHXKAPZDJJNC-UHFFFAOYSA-N 335.879 4.262 0 50 EIAA Cc1cnn(C2CCCC2)c1NC(=O)c1[nH]c2ccc(F)cc2c1C 1529105548 GBDYZALDIXAESP-UHFFFAOYSA-N 340.402 4.488 0 50 EIAA O=C(CCc1ccc2ncsc2c1)OCc1cnccc1Cl 2325855331 SSJPPOHBFQGXRE-UHFFFAOYSA-N 332.812 4.021 0 50 EIAA Cc1cc(Br)ccc1CN(C)Cc1ccccc1C(=O)O 2325874194 DFQUODWMUWUDQR-UHFFFAOYSA-N 348.240 4.088 0 50 EIAA C[C@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccccn1 642 APUDBKTWDCXQJA-XQBPLPMBSA-N 338.495 4.361 0 50 EIAA world CCOC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 43157 USTLQRIMGFRPTK-UHFFFAOYSA-N 349.839 4.248 0 50 EIAA COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 188526 TYFIAIUNURWZEU-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 309324 QDCJSYJXIBSJSV-JTQLQIEISA-N 335.812 4.188 0 50 EIAA COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCCCC2 375582 FLICEKDZOHMMOL-UHFFFAOYSA-N 347.436 4.347 0 50 EIAA COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12 457380 CPMJNVKBLVPGNQ-UHFFFAOYSA-N 327.767 4.350 0 50 EIAA COc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 514291 JBWRDDKFZZWUCZ-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA COC(=O)c1ccccc1NC(=O)Cc1coc2cc(C)cc(C)c12 1105729 JTPLQLXQSWFPHZ-UHFFFAOYSA-N 337.375 4.017 0 50 EIAA C[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1Cl 1926791 IADZNIAJCNXPKO-ZDUSSCGKSA-N 330.815 4.212 0 50 EIAA CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 2769155 GOYPCSNMECNXHX-MRXNPFEDSA-N 348.240 4.095 0 50 EIAA CCCCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 2875670 SDCWCFHBSQHBQE-UHFFFAOYSA-N 330.240 4.440 0 50 EIAA Sc1nnc(-c2ccccc2Br)n1Cc1ccccc1 3270838 FBEPFEGKIVOVFB-UHFFFAOYSA-N 346.253 4.045 0 50 EIAA O=C1C[C@@H](c2c(Cl)cccc2Cl)c2cc3c(cc2N1)OCO3 4986622 KRSGWOWKIQTHTJ-SECBINFHSA-N 336.174 4.196 0 50 EIAA CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2OC)C1 6119499 POSOZSYOCRBYLT-LLVKDONJSA-N 330.453 4.106 0 50 EIAA COc1cccc(CNc2cc(C)c3cccc(OC)c3n2)c1OC 6681939 ASKIRWIRDJTARV-UHFFFAOYSA-N 338.407 4.181 0 50 EIAA O=C(NCc1ccccc1)[C@H](Sc1ccccn1)c1ccccc1 7498937 LWFNVDODTLCSHE-LJQANCHMSA-N 334.444 4.231 0 50 EIAA CCOc1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 10313837 IRZVIMMHKXCRHB-UHFFFAOYSA-N 338.451 4.324 0 50 EIAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NCc1ccccc1 12298783 LBCGMDFJCDWYMR-QGZVFWFLSA-N 338.499 4.406 0 50 EIAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cnc(C)s3)C2)cc1 14951528 ANRSDSQEEIUXHV-HNNXBMFYSA-N 346.521 4.268 0 50 EIAA C[C@@H](Cc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1 22455334 PQEUZROJYNBAQX-VQFGERMISA-N 338.470 4.088 0 50 EIAA CC(=O)c1ccc(F)cc1-c1ccc([C@H](C)N2CCOCC2)cc1 67846953 OSWOLLHLKNIMKP-AWEZNQCLSA-N 327.399 4.089 0 50 EIAA C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72426879 YMRZJQFRBDBSCD-HNNXBMFYSA-N 343.442 4.362 0 50 EIAA CCN(C(=O)c1cc(C)nc2cc(F)ccc12)[C@@H]1CCOC(C)(C)C1 82146276 MUTLKAHXYXQBJB-OAHLLOKOSA-N 344.430 4.102 0 50 EIAA CCCCn1ccnc1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 91859724 AZCBDQNPUZSFBK-UHFFFAOYSA-N 339.483 4.320 0 50 EIAA Cc1ccccc1CN(CC(C)C)C(=O)c1ccc(C(=O)O)s1 97295325 OPSPLMCDKDJODI-UHFFFAOYSA-N 331.437 4.053 0 50 EIAA O=C(Nc1cnns1)N1CCCCC[C@H]1c1ccc(Cl)cc1 192365573 AUJHESLTTSYWLS-ZDUSSCGKSA-N 336.848 4.341 0 50 EIAA CO[C@](C)(C(=O)N(C)Cc1cc2ccccc2o1)c1ccccc1F 192367088 NUQFTPMMYGOMIJ-FQEVSTJZSA-N 341.382 4.092 0 50 EIAA Cc1ncsc1CCC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 299769156 KFDSIFKJHXYEMY-RDJZCZTQSA-N 346.471 4.051 0 50 EIAA Cc1cc(N2CC[C@H](OCc3csc(C)n3)C2)c2ccccc2n1 377179898 PQJSLCMIROGBDE-INIZCTEOSA-N 339.464 4.104 0 50 EIAA Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@H](C(=O)O)c2ccccc21 669434901 MRALLWAECHCWGX-YJBOKZPZSA-N 337.419 4.094 0 50 EIAA Cc1cc(NC(=O)N[C@@H]2CCCOc3ccccc32)cnc1C(F)F 934610288 RVSUBUXMIIGMMQ-CQSZACIVSA-N 347.365 4.363 0 50 EIAA COc1ccc(/C=C/CNC2CCN(c3cccc(C)c3)CC2)cc1 952968624 HNUBKOBFHDEXGX-GQCTYLIASA-N 336.479 4.275 0 50 EIAA COC(=O)c1cccc(Oc2ncnc3sc4c(c23)CCCC4)c1 81188 OPSOZGHKKUXFTP-UHFFFAOYSA-N 340.404 4.149 0 50 EIAA CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)/C=C/c1ccccc1 325885 RXSUFAGUYHUDSA-ZRDIBKRKSA-N 348.402 4.305 0 50 EIAA COc1ccc(-c2cc(C(=O)Nc3ccccc3SC)no2)cc1 423656 PXOHMOLQZKWEFV-UHFFFAOYSA-N 340.404 4.324 0 50 EIAA CC(C)OC(=O)c1ccc(COC(=O)Cc2ccc(Cl)cc2)cc1 618326 QMCUZURXYYLZCG-UHFFFAOYSA-N 346.810 4.191 0 50 EIAA Cc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 4734895 JAWNZIUOVYBZSW-UHFFFAOYSA-N 341.461 4.391 0 50 EIAA CCOP(=O)(OCC)c1c(O)cc(C(C)C)c(O)c1C(C)C 5592919 UYHKCUDYDNYYPI-UHFFFAOYSA-N 330.361 4.236 0 50 EIAA Cc1ccc(C(C)C)c(OC[C@H](O)CN[C@H](C)c2ccccc2)c1 5968100 ZDOYPOMEISNALF-IEBWSBKVSA-N 327.468 4.209 0 50 EIAA CN(Cc1cccnc1)C(=O)C[C@H](c1ccccc1)c1ccccc1F 12373702 LYMBWAWSLMDDKA-HXUWFJFHSA-N 348.421 4.401 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3nonc3C)oc2c1C 12716034 XGEHAHXTQRRHTO-OAHLLOKOSA-N 339.395 4.027 0 50 EIAA CCCc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)cc1 13746195 MKDFHSLEXJQGSK-CQSZACIVSA-N 340.423 4.308 0 50 EIAA CC[C@H](CO)N(Cc1cnc2ccccc2c1)Cc1cccs1 55309942 JWLQLZZCRVHAKZ-QGZVFWFLSA-N 326.465 4.069 0 50 EIAA O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccccn1 55514305 BRGOJZIJLSCQOG-FQEVSTJZSA-N 333.435 4.249 0 50 EIAA C[C@H](c1ccc(-c2nccn2-c2ccc3nccnc3c2)cc1)N(C)C 71755205 LIFHMFQXRQLNBS-OAHLLOKOSA-N 343.434 4.105 0 50 EIAA COc1ccc(OC)c(-c2nccn2-c2ccc3scnc3c2)c1 71764683 OUIAGYHCZDLLEM-UHFFFAOYSA-N 337.404 4.166 0 50 EIAA COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCC[C@@H]1C(=O)O 71770515 BDDGXPYZRHXXQH-INIZCTEOSA-N 335.403 4.203 0 50 EIAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)cc2)n1 77301179 GUDQGMKJGZWBIV-HXUWFJFHSA-N 349.409 4.215 0 50 EIAA CC(C)Cc1cc(C(=O)NCC2(c3ccccc3F)CCCC2)on1 91475569 JFNFBMRXRHEONB-UHFFFAOYSA-N 344.430 4.254 0 50 EIAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cn3ccccc3n2)C1 92038895 WQQNHAWZCZMFDB-FQEVSTJZSA-N 325.456 4.209 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1C/C=C/[C@](O)(c1ccccc1)c1ccccn1 102198452 YOGCIXBRKGGRLY-QDBWEDGCSA-N 336.479 4.137 0 50 EIAA CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(-n2cccc2)c1 170634742 WOCMFSRCJSFXDE-LJQANCHMSA-N 334.423 4.487 0 50 EIAA CC1(O)CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 177787538 GRVHDPRWSRNVLM-UHFFFAOYSA-N 341.451 4.231 0 50 EIAA O=C(CCc1ccco1)N[C@H]1CC2(CCCC2)Oc2ccccc21 178339512 URTACYFABGPFDZ-KRWDZBQOSA-N 325.408 4.165 0 50 EIAA Cc1cc(C(=O)N(C)c2cccc3ccccc23)nc(C(F)(F)F)n1 187066749 WOTVSZUIUKLJLS-UHFFFAOYSA-N 345.324 4.234 0 50 EIAA Cc1csc([C@H](C)N(C)C(=O)c2cc3ccc(Cl)cc3n2C)n1 215268697 RNZLRPDPEWMFTQ-NSHDSACASA-N 347.871 4.430 0 50 EIAA O=C(c1cccc(CN2CCC[C@H]2c2cccnc2)c1)N1CCCCC1 253420165 VTVAZPTVTCHLQO-NRFANRHFSA-N 349.478 4.045 0 50 EIAA CN(Cc1ccccn1)[C@H]1CCCN(Cc2cccc3cc[nH]c23)CC1 275806949 TXVUOLQVHORPEW-NRFANRHFSA-N 348.494 4.049 0 50 EIAA CC(C)N(Cc1ncc(C2OCCO2)s1)[C@@H](C)c1ccccc1 292791617 MMRXGPYSNTZZLG-AWEZNQCLSA-N 332.469 4.160 0 50 EIAA Cc1cccnc1[C@@H]1CCC[C@H](Nc2ccc3c(c2)NC(=O)CC3)C1 374187584 LUYWSCGPXFQPHP-SJORKVTESA-N 335.451 4.413 0 50 EIAA Cc1cc(-c2ccc(C(=O)N(C)C[C@H]3CCCCN3C)cc2)cs1 534585908 ZUWGRYAEOREWEQ-LJQANCHMSA-N 342.508 4.280 0 50 EIAA CC(C)c1ccc(-c2ccc(C(=O)N(C)Cc3ccoc3)cc2)nn1 534588404 UJPKBGCHBMBFPN-UHFFFAOYSA-N 335.407 4.132 0 50 EIAA Cc1[nH]c2c(CN(Cc3ccccn3)C[C@@H]3CCCO3)cccc2c1C 1506408647 VXCRUFNLWIQLIW-FQEVSTJZSA-N 349.478 4.361 0 50 EIAA CC[C@H](Nc1nc(O)c2cnn(C(C)(C)C)c2n1)c1csc(C)c1 1775988660 WZNKPBXUMXWHNX-ZDUSSCGKSA-N 345.472 4.220 0 50 EIAA C[C@H](Nc1ccc2scnc2c1)c1cc(C2CCOCC2)nn1C 1875285182 FYLCDYLNUXLORN-LBPRGKRZSA-N 342.468 4.097 0 50 EIAA CCC(=O)N[C@H](c1ccccc1)c1c(OC(C)=O)ccc2ccccc12 245317 CCQFETNHHYUGSA-JOCHJYFZSA-N 347.414 4.381 0 50 EIAA CC(C)Cc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1 270134 KWGYSERKSFUIDY-UHFFFAOYSA-N 346.477 4.296 0 50 EIAA CCCc1sc(C(=O)N2CCC[C@H](C)C2)cc1Br 1459128 GHBNHSGVMCWYJN-JTQLQIEISA-N 330.291 4.335 0 50 EIAA O=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 2813419 VGROZTVXZQANFT-UHFFFAOYSA-N 346.791 4.073 0 50 EIAA Cc1c(Cl)ccc(OCCOCCN2C[C@H](C)C[C@@H](C)C2)c1C 2822911 RVHUENQYIPNWJN-HUUCEWRRSA-N 339.907 4.330 0 50 EIAA CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 4322973 OSWCFMHSGLDHJP-UHFFFAOYSA-N 349.369 4.097 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 9062804 JZIXREYOPSXAOS-UHFFFAOYSA-N 346.833 4.330 0 50 EIAA O=c1nc2ccc(Br)cc2c(-c2ccccc2Cl)[nH]1 11617452 GJVHRACDDIDTBW-UHFFFAOYSA-N 335.588 4.006 0 50 EIAA O=C(Nc1ccc(Br)c(Cl)c1)c1cccc(F)c1 17067380 LTRNNFQIQAJHBJ-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA COc1ccc(CN2CCN(c3ccc(C)cc3)CC2)c2ccccc12 19609013 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Cc1ccc(C(=O)[C@@H](OC(=O)c2ccncc2)c2ccccc2)cc1C 461814 QRSYOEGUYLIBNI-NRFANRHFSA-N 345.398 4.479 0 50 EIAA CCc1ccc(OCCCC(=O)Nc2ccc(N(C)C)cc2)cc1 1773484 IVTWRXHBRCIVCN-UHFFFAOYSA-N 326.440 4.113 0 50 EIAA CC1CCN(CCOCCOc2cccc(Cl)c2Cl)CC1 2956553 UQBIULHTVFNCCD-UHFFFAOYSA-N 332.271 4.121 0 50 EIAA CC(C)(C)c1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CSC3)cc1 4002225 CRYSLRRSVRPYHV-UHFFFAOYSA-N 345.420 4.053 0 50 EIAA COc1cccc(OC)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4614275 SJUYBWGSELBEPH-BUBBNXEVSA-N 343.467 4.039 0 50 EIAA C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1nccs1 4841896 IPIBGGXEZRHJOX-JTQLQIEISA-N 347.490 4.386 0 50 EIAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NCc2cccnc2)C1 12304294 CKJKKVUNTQDBIU-IBGZPJMESA-N 332.451 4.071 0 50 EIAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c1 12383028 VJLXQYOYGZKWGH-CQSZACIVSA-N 340.423 4.174 0 50 EIAA Cc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(C)cc2C)c(C)c1 13323141 KXGBTFHDEVFSQZ-MOPGFXCFSA-N 338.495 4.448 0 50 EIAA COc1cccc([C@@H]2CCCN2Cc2ccc(-c3cc[nH]n3)s2)c1 72475754 PMNVVXVETCVCGR-SFHVURJKSA-N 339.464 4.484 0 50 EIAA CCCCn1ccnc1C1CCN(C(=O)c2cc(F)ccc2C)CC1 92098726 LKNHSNWIROMOLO-UHFFFAOYSA-N 343.446 4.151 0 50 EIAA CCn1cncc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1C 95508204 AYXWSURTRQAODG-OAQYLSRUSA-N 347.462 4.050 0 50 EIAA Cc1nc2cc(C(=O)N(Cc3ccncc3)C3CCCCC3)ccc2[nH]1 97301238 AFXRLBUAACIVRC-UHFFFAOYSA-N 348.450 4.241 0 50 EIAA O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@@]2(CC=CCC2)C1 170626902 NOCYJKGZGBTHMZ-FQEVSTJZSA-N 343.492 4.126 0 50 EIAA CC(C)Cn1ccnc1CN[C@H](C)c1cc(Br)cs1 194056447 MLBDKWKMWMTKTK-LLVKDONJSA-N 342.306 4.214 0 50 EIAA CCCc1ccc(-c2ccc(C(=O)N3CC[C@H](COC)C3)cc2)cc1 220667468 GOIKSRPDXHFLJV-SFHVURJKSA-N 337.463 4.415 0 50 EIAA Cc1ccc(-n2nc(C(F)(F)F)c3c(C)cc(=O)oc32)cc1Cl 334162679 FFCIEFJKWQMNCN-UHFFFAOYSA-N 342.704 4.268 0 50 EIAA Cc1nnc(N2CCC(c3ccccc3C(F)(F)F)CC2)s1 354380023 IAIYXFKJQDVMEU-UHFFFAOYSA-N 327.375 4.249 0 50 EIAA Fc1ccccc1Oc1cc(CN[C@H]2CCC23CCOCC3)ccn1 374371701 AMGHGHIQLQHPQK-SFHVURJKSA-N 342.414 4.062 0 50 EIAA CC(C)(NC(=O)c1[nH]ccc1C1CC1)c1nc(C(F)(F)F)cs1 457605441 QJOMKJODDZSBFF-UHFFFAOYSA-N 343.374 4.033 0 50 EIAA CC(C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)=C1CCC1 836792885 HXPNMZUSUWAMKT-UHFFFAOYSA-N 344.402 4.368 0 50 EIAA O=C(c1nccc2cccnc12)N(CC1CCCCC1)c1ccccn1 904031346 VOJIYSUTQDQAJL-UHFFFAOYSA-N 346.434 4.252 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3n2C)c(C)c1 952967701 CSLCTKYOZZMFSK-UHFFFAOYSA-N 349.434 4.396 0 50 EIAA CCCCN(Cc1cccnc1)C(=O)c1conc1-c1ccccc1 952968890 LZZRYICUYRQUMX-UHFFFAOYSA-N 335.407 4.179 0 50 EIAA CSc1ccc2c(C)cc(-n3nc(C)nc3[C@H]3CCCO3)nc2c1 1940195710 HCQFFNLCGLJDFC-MRXNPFEDSA-N 340.452 4.006 0 50 EIAA Cc1cc(O)nc(C)c1NC(=O)c1ccccc1-c1ccccc1F 1940196350 DYAZJCKEOXNCNW-UHFFFAOYSA-N 336.366 4.462 0 50 EIAA c1ccc([C@@H](c2ccccn2)N2CC[C@@]3(C2)OCc2ccccc23)cc1 2325799752 WDGDUEVSHSNWLF-GOTSBHOMSA-N 342.442 4.302 0 50 EIAA CCc1c(C)sc(NC(=O)/C=C/c2ccc(F)cc2)c1C(=O)OC 31430 OFFPKTLYRLCUQD-JXMROGBWSA-N 347.411 4.197 0 50 EIAA COc1ccccc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 77656 NTCDKBUCPVIKEK-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 619102 SGTRJXDYXWTPDF-UHFFFAOYSA-N 339.398 4.305 0 50 EIAA O=C(Cc1cccc2ccccc12)NCCOc1ccccc1Cl 2308130 UXGYEZFEUOTPEO-UHFFFAOYSA-N 339.822 4.231 0 50 EIAA Cc1nnc(SCC(=O)c2ccccc2)n1-c1ccc(Cl)cc1 2544606 FNAGAHDCGZIONN-UHFFFAOYSA-N 343.839 4.204 0 50 EIAA O=S(=O)(O)c1ccc2c3ccccc3[s+](C(F)(F)F)c2c1 6731797 MAAZDBJRZKJGIM-UHFFFAOYSA-O 333.332 4.465 0 50 EIAA Cc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Br 13326445 PQOBFWBRTWQUPR-GFCCVEGCSA-N 334.213 4.164 0 50 EIAA Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2c(C)noc2n1 14179949 VECNAMKFLDKAMZ-UHFFFAOYSA-N 335.285 4.111 0 50 EIAA FC(F)(F)C[C@@](Cl)(Br)C(F)(F)Br 71790205 ZAHDQTLNNTTYBI-REOHCLBHSA-N 340.311 4.257 0 50 EIAA CCSCCN(C(=O)c1cccc2nccnc12)C1CCCCC1 97681805 XGWLRXUAGQLZIP-UHFFFAOYSA-N 343.496 4.158 0 50 EIAA Cc1cc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)no1 172013104 RPXDRFOHCWTKTH-QGZVFWFLSA-N 346.839 4.146 0 50 EIAA CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccc(C)nc1C)C2 178959621 MXWGVMBJECQAHZ-UHFFFAOYSA-N 339.439 4.077 0 50 EIAA Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229535742 JXASDWYVOVTCQS-HYSWKAIVSA-N 340.389 4.353 0 50 EIAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc2cc[nH]c2c1 253396382 BBEAISXQNUXXHY-SFHVURJKSA-N 329.403 4.457 0 50 EIAA biogenic FC(F)(F)Oc1ccc(C2(NCc3ccc4c[nH]nc4c3)CC2)cc1 449368346 HKWHTIXWNSZFHG-UHFFFAOYSA-N 347.340 4.240 0 50 EIAA CCC1=NO[C@@H](c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)C1 742464589 UELVNVNBNNRQSD-CYBMUJFWSA-N 343.383 4.018 0 50 EIAA Cc1ccc2c(C(=O)N[C@@H](C)c3noc(C(F)F)n3)c(C)ccc2c1 822512520 AKPITHOROBICLO-NSHDSACASA-N 345.349 4.268 0 50 EIAA CC(C)[C@H]1CN(C(=O)c2cccc(-c3ccccc3)c2)C[C@@H]1N(C)C 1565514073 SPRURVOCKJMDLH-RTWAWAEBSA-N 336.479 4.012 0 50 EIAA CCOC(=O)c1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1 68555 MHPIVQZZFBEHAM-UHFFFAOYSA-N 333.391 4.372 0 50 EIAA COc1cc(OC)c(NC(=O)Oc2ccccc2F)cc1Cl 400414 XRNRPCXXWODJSI-UHFFFAOYSA-N 325.723 4.107 0 50 EIAA O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 444474 GBSOXXSKZPYXRW-ZHACJKMWSA-N 329.359 4.475 0 50 EIAA aggregator COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1OC 454515 XVACDDWMBIBBSY-RMKNXTFCSA-N 331.799 4.318 0 50 EIAA O=C(NC(=O)c1ccccc1)Nc1ccc(SC(F)(F)F)cc1 462548 YNESHEMPWNRDPW-UHFFFAOYSA-N 340.326 4.260 0 50 EIAA CCOc1ccc([C@H]2C[C@H](c3ccc(C)c(C)c3)Nc3ncnn32)cc1 2870740 KMNZVUHMUWNSPV-WOJBJXKFSA-N 348.450 4.440 0 50 EIAA COC(=O)c1cn(C(=O)c2ccc(C)cc2Cl)c2ccccc12 2878560 VNHWAGHHYYRNFE-UHFFFAOYSA-N 327.767 4.078 0 50 EIAA COc1ccccc1OCCOc1ccc(C(=O)c2ccccc2)cc1 2991252 SSVYDSGICPRIEE-UHFFFAOYSA-N 348.398 4.384 0 50 EIAA COCc1cc(C)nc2sc3c(c12)NCn1c-3nc2ccccc21 12323961 IGQYJXFLNCWKOM-UHFFFAOYSA-N 336.420 4.151 0 50 EIAA COc1ccc(CN2CCC(N3CCCCC3)CC2)c2ccccc12 16662644 SOGPNCBRITVDBJ-UHFFFAOYSA-N 338.495 4.299 0 50 EIAA Cc1ccc(C)c(-c2[nH]c([C@H]3CC(=O)N(C4CCCC4)C3)nc2C)c1 20600154 QLQJWSOTDCUVAK-INIZCTEOSA-N 337.467 4.260 0 50 EIAA CC[C@H](C)N(Cc1cccnc1)Cc1cn(C(C)=O)c2ccccc12 63846915 PTTZELQHIXMVPC-INIZCTEOSA-N 335.451 4.497 0 50 EIAA c1ccc(COCc2c(-c3ccccc3)ncn2C2CCNCC2)cc1 65460217 YSEJZZWJYMSASQ-UHFFFAOYSA-N 347.462 4.191 0 50 EIAA COc1ccccc1Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 82039295 FOKUZBPFIQUBMI-UHFFFAOYSA-N 342.402 4.064 0 50 EIAA CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2ccccn2)cc1 96166742 WDBUOTBGPHZKPI-GOSISDBHSA-N 325.412 4.239 0 50 EIAA CCCn1cc([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 100785943 SKXUDWGRSSYDLH-SFHVURJKSA-N 346.430 4.407 0 50 EIAA Fc1ccc2c(c1)[C@H](NCc1nccn1CCCc1ccccc1)CC2 164342814 CYJRIUVCTNPSFK-OAQYLSRUSA-N 349.453 4.432 0 50 EIAA Cc1nnc(NC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)s1 170889523 JSARLGKUQFXBMR-SECBINFHSA-N 336.848 4.257 0 50 EIAA CC(C)OCc1ccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cc1 189414857 HENOQKKDKXRWNQ-AEFFLSMTSA-N 348.487 4.184 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 253498112 MENYRVLDWKVWLK-XXWVXFISSA-N 334.500 4.322 0 50 EIAA N=C(O)[C@@H]1CCC[C@H](C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)C1 333993318 LSIDVUFFUVRONF-FGTMMUONSA-N 340.467 4.124 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)Cc1coc2cc(C)c(Cl)cc12 952992104 WWFQPEBFRJCJDI-OAHLLOKOSA-N 349.858 4.355 0 50 EIAA COc1cccc2c(C)cc(N3CCC[C@@]4(CCC[C@H]4OC)C3)nc12 1704332152 QEKVYDNVCJQABF-NQIIRXRSSA-N 340.467 4.337 0 50 EIAA Fc1ccc2cc(-c3ccccc3OCCn3ccnc3)cnc2c1 1875247605 YGGSDGPDJJPNKW-UHFFFAOYSA-N 333.366 4.316 0 50 EIAA CCCOc1ccc(-c2nn(-c3ccccc3)cc2CN)cc1Cl 2050024787 PZUYWMSXDXAGGP-UHFFFAOYSA-N 341.842 4.440 0 50 EIAA FC(F)(F)C12CCC(c3noc(C4=CCCOCC4)n3)(CC1)C2 2325783532 DSFLNCVJDRQCSF-UHFFFAOYSA-N 328.334 4.028 0 50 EIAA O=C(COc1ccc(Br)cc1)Nc1cccc(Cl)c1 41177 NBROMIBBRVFEEH-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2 127228 DVQBMEVNMDZPMS-UHFFFAOYSA-N 348.855 4.491 0 50 EIAA O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1 308382 PVUYLUYGUIIBEU-UHFFFAOYSA-N 327.434 4.083 0 50 EIAA CCC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 341962 WHSPAOAKOSHEEL-UHFFFAOYSA-N 334.828 4.355 0 50 EIAA COc1ccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 389986 SZBYKITWBXUQDL-UHFFFAOYSA-N 345.398 4.487 0 50 EIAA CCOC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 449945 TWATXMASITYWSQ-UHFFFAOYSA-N 349.839 4.248 0 50 EIAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1 858685 VHSDESNVEJMAIO-UHFFFAOYSA-N 348.855 4.092 0 50 EIAA CN(C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1)c1ccccc1 1050869 AWRCLMXGQGOWKQ-UHFFFAOYSA-N 344.414 4.144 0 50 EIAA Cc1ccccc1Cn1cc(NC(=S)N[C@@H]2CCCC[C@H]2C)cn1 2799319 DKHVMMHKFIWGCP-CRAIPNDOSA-N 342.512 4.105 0 50 EIAA COc1ccc2oc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 2826313 HUGRQFIDPIICRO-UHFFFAOYSA-N 334.331 4.349 0 50 EIAA CCCOc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 2849990 OARJGDKIMKDMDJ-ATVHPVEESA-N 341.794 4.473 0 50 EIAA Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc(F)c2)S3)c1 4268677 LBGSPNZGLOXFFU-HNNXBMFYSA-N 339.395 4.270 0 50 EIAA COc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)O)cc1 4675126 OOWWTLJQIIZWGE-UHFFFAOYSA-N 325.389 4.113 0 50 EIAA COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCC2 5092005 AZTPNBVWBLYMPI-UHFFFAOYSA-N 346.477 4.222 0 50 EIAA CCCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccccc1 12274647 OZWHPRBNJWRUFY-UHFFFAOYSA-N 334.423 4.089 0 50 EIAA CCCCCc1nnc(NC(=O)c2c(F)cccc2Cl)s1 14714480 MNMXDMXADVURRL-UHFFFAOYSA-N 327.812 4.316 0 50 EIAA C[C@H]1CCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c2C1 18275982 DZMQBDBEHWNHRW-JTQLQIEISA-N 328.462 4.235 0 50 EIAA CN(C)CCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 19636621 NTERCDHVYAMCEY-UHFFFAOYSA-N 336.401 4.269 0 50 EIAA CCOc1ccccc1CN(CC)C(=O)c1csc(C(C)=O)c1 55576195 GTJDUWYGMOLTRV-UHFFFAOYSA-N 331.437 4.012 0 50 EIAA COc1cc2c(cc1CN1CCC[C@@H]1c1nc(C(C)C)no1)CCC2 77322006 AQGRQZSUNRNEID-QGZVFWFLSA-N 341.455 4.027 0 50 EIAA Cc1cc(C(=O)N[C@H](C)c2nc(C)sc2C)c2cccc(C)c2n1 82157431 KEPNKDNXPBZHRT-GFCCVEGCSA-N 339.464 4.416 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3c(C)cccc23)on1 169995631 PMMBDLYJEZAJTJ-KRWDZBQOSA-N 337.423 4.069 0 50 EIAA COc1ccc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)cc1 225602331 FXWFJCVLPKJCIH-UHFFFAOYSA-N 347.817 4.450 0 50 EIAA CC(C)c1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)on1 244719091 LWRHKYZWFQJNCD-CQSZACIVSA-N 325.412 4.319 0 50 EIAA C[C@@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)C1CCCC1 253429559 NRSUBNLZIYBFNZ-KRWDZBQOSA-N 347.466 4.168 0 50 EIAA Cc1cc2occ(CC(=O)N(C)CCC[C@@H]3CCCO3)c2cc1Cl 299773548 FPQPVYKQYIIDHC-OAHLLOKOSA-N 349.858 4.355 0 50 EIAA COc1cccc(Cl)c1CN[C@H](c1nc(C2CC2)no1)C(C)C 330031737 CMGZNLPEJWQOFR-HNNXBMFYSA-N 335.835 4.096 0 50 EIAA CC[C@H](c1ccccn1)N(C)Cc1cc(OC)c(SC)cc1OC 952992055 YQKLFRASUVTRMP-MRXNPFEDSA-N 346.496 4.404 0 50 EIAA COc1cccc2c(N3CCC[C@@H]4[C@H]3[C@@H]4C(F)(F)F)cc(C)nc12 1875328317 LDTLLRIEMTWJHT-MJEQTWJJSA-N 336.357 4.329 0 50 EIAA C[C@@H](C(=O)Nc1ccc(C2CC2)c(F)c1)n1ccc(C(F)(F)F)n1 1875331529 LQNBAMBNIWGSSO-VIFPVBQESA-N 341.308 4.118 0 50 EIAA O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2occc12 1875359293 ACKIPFPKRACDTN-UHFFFAOYSA-N 343.738 4.165 0 50 EIAA CC(=O)NC(C)(C)c1noc([C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1 2325801813 XLIALHWRZQTINV-QWRGUYRKSA-N 335.835 4.001 0 50 EIAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc2ccccc2n1 50009 HXOXDYHFZACTQP-UHFFFAOYSA-N 339.398 4.473 0 50 EIAA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2)cc1 104512 SBAPSCCEVDITIF-FQEVSTJZSA-N 330.387 4.472 0 50 EIAA COC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc(C)c1C 149979 SQGYGJYLBBNULC-UHFFFAOYSA-N 338.816 4.449 0 50 EIAA COc1cc(OC)c(CN[C@H]2CCCC[C@@H]2C)cc1Br 183548 AREXKMGOXFFPOL-FZMZJTMJSA-N 342.277 4.135 0 50 EIAA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1CCC1 371604 ZOSJUVYHPIQKKT-UHFFFAOYSA-N 347.411 4.470 0 50 EIAA Fc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 467532 PVRZFBMAWIKHON-UHFFFAOYSA-N 328.456 4.477 0 50 EIAA Cc1cccc(C2=NNC(=O)[C@@H](c3ccc(Cl)cc3Cl)C2)c1 1397717 KVJPLHKJMJEIGB-CQSZACIVSA-N 333.218 4.310 0 50 EIAA CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1 2004090 PMHURSZHKKJGBM-UHFFFAOYSA-N 332.400 4.022 0 50 EIAA biogenic,in-vitro CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1 2985838 GPDDEVFZGUMLDJ-UHFFFAOYSA-N 342.464 4.219 0 50 EIAA O=C(/C=C/c1ccc(OCCCF)cc1)NCc1cccc(Cl)c1 4092033 IGAJFINVVBTZTE-JXMROGBWSA-N 347.817 4.408 0 50 EIAA COC(=O)c1scc(C)c1NC(=O)c1ccc(Cl)cc1Cl 4104941 WKIDSJQWAYSRFG-UHFFFAOYSA-N 344.219 4.402 0 50 EIAA C[C@@H]1CCCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)C1 12653595 WHXMWXGPFQEMKH-WADNSWHXSA-N 347.462 4.171 0 50 EIAA COc1cccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1 14979830 BODMMEJPDMPSCC-KRWDZBQOSA-N 343.854 4.444 0 50 EIAA c1ccc(Oc2cccc(OCCCCCN3CCOCC3)c2)cc1 23115432 QKAAKQLLNUFSQK-UHFFFAOYSA-N 341.451 4.360 0 50 EIAA O=C(Cc1ccccc1)[C@H]1CCCN(Cc2ccnc3ccccc23)C1 72406769 DCVXSGAFZWIEPK-FQEVSTJZSA-N 344.458 4.259 0 50 EIAA Cc1cc2cc(C(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)ccc2o1 82099760 ISYSEINFVPGMLM-QGZVFWFLSA-N 348.446 4.340 0 50 EIAA Cc1cc(C)cc(C2=CCN(C(=O)N[C@@H]3CCOC(C)(C)C3)CC2)c1 131980554 SBRVEWGQNUSKAD-LJQANCHMSA-N 342.483 4.060 0 50 EIAA O=C(C1CCC(F)(F)CC1)N(Cc1ccccc1)c1ccncc1 183231061 HRSHPNWOHWNFMZ-UHFFFAOYSA-N 330.378 4.440 0 50 EIAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1 244175316 VFXTWAFSDSOMNG-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA Cc1ncc(-c2ccc(NC(=O)c3cccc([C@H]4CCOC4)c3)cc2)o1 408513687 DMWQAADJFFNNMA-SFHVURJKSA-N 348.402 4.406 0 50 EIAA COCc1ccc(SCCCn2c(O)nc3ccccc32)cc1 673892901 UFFUPPPPDLUZKV-UHFFFAOYSA-N 328.437 4.071 0 50 EIAA O=C(Nc1ccc2scnc2c1)C1(N2CCCC2)CCCCC1 827661290 OIPJDENMCJSBPL-UHFFFAOYSA-N 329.469 4.034 0 50 EIAA CC1(C)CCC[C@@H](OC(=O)c2cccc(Oc3nccs3)c2)C1=O 840230147 FMSFQZGWCXRVHO-CQSZACIVSA-N 345.420 4.240 0 50 EIAA CC(C)(C(=O)O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c3occc23)C1 907630125 VDTRSCBSPFOIRL-LLVKDONJSA-N 349.814 4.049 0 50 EIAA CC(=O)NC(C)(C)c1noc([C@@H](C)[C@@H](C)c2ccc(Cl)cc2)n1 2325801812 XLIALHWRZQTINV-MNOVXSKESA-N 335.835 4.001 0 50 EIAA Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 31459 XNWQKWRHXIPLEY-UHFFFAOYSA-N 342.251 4.131 0 50 EIAA CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 39452 LPEPZZAVFJPLNZ-SFHVURJKSA-N 340.375 4.019 0 50 EIAA biogenic,in-vivo Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)o1 406384 JALKTWPIPYVOKX-UHFFFAOYSA-N 339.420 4.084 0 50 EIAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2F)c1 456026 PCZDEHRLCIPLFJ-NSHDSACASA-N 346.427 4.172 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC)cc2)cc1Cl 1188866 KNGRXHRCEXGFDI-UHFFFAOYSA-N 346.814 4.340 0 50 EIAA COc1ccccc1-c1nnc(SC/C=C/c2ccccc2)n1C 2865548 QYDKZMXIIHNAFE-DHZHZOJOSA-N 337.448 4.296 0 50 EIAA O[C@H]1CCCC[C@@H]1C1(NC(=S)Nc2ccccc2)CCCCC1 4333701 PTBLMHUNNYYRFT-IRXDYDNUSA-N 332.513 4.227 0 50 EIAA Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)s1 4834904 FXXLNHGNVIVEEL-UHFFFAOYSA-N 341.461 4.304 0 50 EIAA O=C(NCCc1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 4844817 ULGLZZSWLFMMRZ-QFIPXVFZSA-N 329.443 4.372 0 50 EIAA O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(Cl)c(Cl)c1 5673001 XHOWPNGFFOTJKG-UHFFFAOYSA-N 325.151 4.336 0 50 EIAA CCc1nn2c(-n3nc(C)cc3C)cc(C)nc2c1-c1ccc(F)cc1 13693226 RXPJRAYZLOIAKE-UHFFFAOYSA-N 349.413 4.209 0 50 EIAA CCN(CC)C1=N[C@@H]2Nc3ccccc3N(CC)[C@@H]2[C@@H]1c1ccccc1 16667439 FEAZVMDHAGNEQZ-HBMCJLEFSA-N 348.494 4.171 0 50 EIAA O=C(Nc1cccc2ccccc12)c1ccc(Cn2ccnc2)cc1 38834090 DPRRHISKSSDAPE-UHFFFAOYSA-N 327.387 4.337 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)[nH]n1 71757096 BZZJSQHSAISNKZ-INIZCTEOSA-N 343.446 4.157 0 50 EIAA Cc1c(C[S@](C)=O)cccc1NC(=O)c1csc2ccccc12 116691463 ONCXDHSGGPKXIN-HSZRJFAPSA-N 343.473 4.341 0 50 EIAA O=C1C[C@@H](c2ccccc2)C(=O)N1C(c1ccccc1)c1ccccc1 218909846 GPQKKSSPMZEKHL-FQEVSTJZSA-N 341.410 4.319 0 50 EIAA Cc1c(Cl)c(CN2CCO[C@@H]3CCCC[C@H]32)nc2ccccc12 230136038 DJQQEJJRDGZHND-QZTJIDSGSA-N 330.859 4.340 0 50 EIAA CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccc(C)c(OC)c2)c1 240225441 DHUNQNXPWSPMMI-OAHLLOKOSA-N 340.467 4.278 0 50 EIAA CC(C)C(=O)OC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 252675662 UPXITFPVTSHUBP-ZBFHGGJFSA-N 343.389 4.288 0 50 EIAA C[C@@]12CCC3(C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 257345863 LJKNOBNXTYYVSU-VFPCOIFRSA-N 332.484 4.341 0 50 EIAA Cc1csc(-c2noc(-c3ccc([C@@H]4CCCOC4)cc3)n2)n1 329722820 NLQPROPSQCYAAE-CQSZACIVSA-N 327.409 4.063 0 50 EIAA CSCCC(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 349105171 GDTRSAAIYTZZBV-UHFFFAOYSA-N 346.399 4.227 0 50 EIAA C[C@@H](NC(=O)N1CCC12CCCCC2)c1nc(C2CCCCC2)no1 365580998 GRLLPVCUOPCTBR-CQSZACIVSA-N 346.475 4.297 0 50 EIAA CC(=O)c1cnc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)s1 801674223 ITDOUXIJRAYWDZ-NSHDSACASA-N 346.305 4.014 0 50 EIAA COc1cccc([C@@H]2CCN2Cc2cc(C)ccc2-n2cccn2)c1 824774921 SKYXVAFFAKNRNM-FQEVSTJZSA-N 333.435 4.136 0 50 EIAA Cc1cccc(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)c1ncccc1F 888100253 ZMEKGFZXIRHFHT-DOTOQJQBSA-N 341.430 4.445 0 50 EIAA O=C(Nc1cnn(C2CCCC2)c1)N[C@H](c1ccccc1)C(F)F 931546246 ZMEPMPXKUDHXGR-OAHLLOKOSA-N 334.370 4.126 0 50 EIAA Cc1ccncc1C(=O)Nc1c(F)cccc1NC(=O)OC(C)(C)C 952880414 AWWKWGMBYLERHA-UHFFFAOYSA-N 345.374 4.128 0 50 EIAA CC(C)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 1475164674 VCUXRZIUUXUBSN-IBGZPJMESA-N 329.465 4.336 0 50 EIAA COc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)cc1C 1875319324 XLLOFJLFWHJZPZ-UHFFFAOYSA-N 339.844 4.075 0 50 EIAA COc1ccc([C@@H](C)NCc2nc3cc(C)cc(C)c3[nH]2)cc1OC 2325896219 UCLKLZDCZAKNIZ-CQSZACIVSA-N 339.439 4.048 0 50 EIAA CC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(c2ccc(Cl)cc2)C1 83451 WKJMGIQWSDKLNA-QGZVFWFLSA-N 349.217 4.061 0 50 EIAA CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1OCC 304159 JBCOUUCDWAITQK-INIZCTEOSA-N 341.451 4.235 0 50 EIAA Cc1c(Cl)cccc1NC(=S)N1CCN(c2ccccc2)CC1 307150 OBRJSHHWGFJTGA-UHFFFAOYSA-N 345.899 4.167 0 50 EIAA CCc1ccc(CNn2cnnc2SCc2ccc(F)cc2)cc1 359910 SJDJJFCHJXGGKC-UHFFFAOYSA-N 342.443 4.016 0 50 EIAA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(Cl)cc1 407462 RZNNYFAEEKYRER-UHFFFAOYSA-N 339.609 4.405 0 50 EIAA Cc1cccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)c1 453955 KTFXDHJEQBRLPB-UHFFFAOYSA-N 341.461 4.040 0 50 EIAA O=C(CCNc1cc(F)ccc1F)c1ccc(Br)cc1 2519803 BTUYDQAHKXCEGP-UHFFFAOYSA-N 340.167 4.412 0 50 EIAA CN(CCOC(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 4755770 MAAXUQYRFUASJT-UHFFFAOYSA-N 338.234 4.282 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)Cc1noc(-c2ccc(F)cc2)n1 16576991 GFGHRMKNVHPCAK-UHFFFAOYSA-N 345.761 4.019 0 50 EIAA CC/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O 27645235 BLWCDFIELVFRJY-YYXNPAPNSA-N 336.472 4.158 0 50 EIAA endogenous,in-man Cc1ccc([C@H](CC(=O)NCCc2ccccn2)c2ccccc2)cc1 55167674 FFNWBLFSLYLLPF-JOCHJYFZSA-N 344.458 4.271 0 50 EIAA c1coc([C@H]2CCCCCN2Cc2cnc(N3CCCC3)s2)c1 72120672 GPJWWCORUOUNIA-MRXNPFEDSA-N 331.485 4.454 0 50 EIAA Clc1ccccc1-c1cc(Cn2ccnc2-c2ccncc2)no1 77471790 ITDJHTNDFVJWOH-UHFFFAOYSA-N 336.782 4.302 0 50 EIAA Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc2ccccc2s1 116691774 HAHZFOLRIMMULP-HSZRJFAPSA-N 343.473 4.341 0 50 EIAA CCc1ncsc1NC(=O)c1cnn(-c2cc(C)ccc2C)c1C 157180990 ZDAHHEBTAZPAPQ-UHFFFAOYSA-N 340.452 4.069 0 50 EIAA COc1ccccc1C1CCN(Cc2csc(C(C)=O)c2)CC1 216158801 DAEPAMSBKCCRBJ-UHFFFAOYSA-N 329.465 4.339 0 50 EIAA CCN(C(=O)c1ccccc1Cc1ccc(C)cc1)C1CCOCC1 218981243 OPBRKIWIJQCKHR-UHFFFAOYSA-N 337.463 4.227 0 50 EIAA Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@H]1c1cccn1C 248142358 QRSBEGZJEAHYSN-KXBFYZLASA-N 335.451 4.223 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cnc(-c2cccs2)s1 263533618 XXTKDLWLVLBGCD-UBHSHLNASA-N 348.493 4.089 0 50 EIAA CCC[C@@H](NC(=O)Nc1ccc2oc(C)cc2c1)c1nccn1C 299768469 OUDQQHNHPRUFRB-OAHLLOKOSA-N 326.400 4.138 0 50 EIAA CC(C)c1nnc([C@@H](C)NC(=O)C2(c3ccc(Cl)cc3)CCC2)o1 299798737 RCCWUMHNAYIGPX-GFCCVEGCSA-N 347.846 4.146 0 50 EIAA Clc1cccc([C@@H](Cc2cccnc2)NCC2CCOCC2)c1 425944998 ZXDPUSRWGXIGGN-LJQANCHMSA-N 330.859 4.035 0 50 EIAA Oc1cc(Cl)cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c1 436929008 CSRSZIZCLDRLHE-UHFFFAOYSA-N 332.812 4.302 0 50 EIAA O=C(O)c1ccccc1C1CCN(c2nccc3sccc23)CC1 900955079 DYMNMNRCQZXQHW-UHFFFAOYSA-N 338.432 4.379 0 50 EIAA C[C@@H](Nc1ccc2scnc2c1)c1cc(C2CCOCC2)nn1C 1875285181 FYLCDYLNUXLORN-GFCCVEGCSA-N 342.468 4.097 0 50 EIAA C[C@H]1CC[C@](C(=O)O)(n2cc(-c3ccccc3)cn2)Cc2ccccc21 1875332092 LSTFAVIECGJCQC-AOMKIAJQSA-N 346.430 4.470 0 50 EIAA COc1cc(N=c2[nH]c(-c3ccc(F)cc3)cs2)cc(OC)c1 2100547909 RRIKLMOIBGUHAP-UHFFFAOYSA-N 330.384 4.132 0 50 EIAA Cc1cc(C)c2c(c1)N(C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)CC2 2325829956 WZGPRYQSUUWWSE-QZTJIDSGSA-N 344.499 4.358 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 64667 VFKWHUKPBXSNOU-UHFFFAOYSA-N 349.839 4.319 0 50 EIAA Clc1ccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1 182096 DRLMWJOAQUSBMS-UHFFFAOYSA-N 330.903 4.287 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1 447593 OSTSAIHIKQIFHQ-UHFFFAOYSA-N 340.423 4.322 0 50 EIAA O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 472677 NENBBJMKGNIMAB-UHFFFAOYSA-N 345.402 4.261 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 528946 HRFUFNNJDIQBSW-UHFFFAOYSA-N 329.446 4.363 0 50 EIAA COc1ccc(OC)c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 610525 VJOUBRQQMYXPLG-UHFFFAOYSA-N 340.301 4.367 0 50 EIAA COCCNCCCOc1ccc(C(C)(C)c2ccccc2)cc1 3461553 MGYGKKZWXHYCQJ-UHFFFAOYSA-N 327.468 4.017 0 50 EIAA CCCn1c(NC(=S)Nc2cccc(OC)c2)nc2ccccc21 6517481 QBRKGHUUSIKLBJ-UHFFFAOYSA-N 340.452 4.264 0 50 EIAA CC(=O)Nc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 11990414 ZKJYUXQPHVMAIV-UHFFFAOYSA-N 346.312 4.351 0 50 EIAA c1ccc(Cc2cn[nH]c2[C@H]2CCCN(Cc3cccs3)C2)cc1 19789115 OTNBTUQDHUKFHS-KRWDZBQOSA-N 337.492 4.442 0 50 EIAA COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)no2)cc1 21791180 CFAQNKXPKBFGLR-IBGZPJMESA-N 348.402 4.328 0 50 EIAA ClC(Cl)(Cl)c1nnc(-c2cccc(Br)c2)o1 30823797 TVCDMVZZAMQXJW-UHFFFAOYSA-N 342.407 4.326 0 50 EIAA in-vitro Cc1nc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)cs1 65386598 CIRKGGKQOVOPAP-MRXNPFEDSA-N 343.839 4.019 0 50 EIAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ccoc2)CCO3)s1 67739410 RDAQZHRSTUHWCN-UHFFFAOYSA-N 341.432 4.417 0 50 EIAA COc1cccc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c(C)nc3c2)c1 77426916 DVVZUAUYHVQHLN-FQEVSTJZSA-N 349.434 4.247 0 50 EIAA c1ccc([C@@H]2C[C@@H]2Sc2nnc(C3CC3)n2Cc2ccco2)cc1 170598593 NOGGOYIMPGMKMK-IRXDYDNUSA-N 337.448 4.445 0 50 EIAA O=C(c1cc(Cl)ccn1)N(Cc1ccsc1)c1cccnc1 171353017 ULSZNKGPUMPYIZ-UHFFFAOYSA-N 329.812 4.039 0 50 EIAA Fc1ccc([C@@H]2CN(Cc3cccc4cnccc34)CCO2)c(F)c1 190131586 SJTBHJGSSHKHQP-FQEVSTJZSA-N 340.373 4.087 0 50 EIAA Cc1nccn1CCN(C)C(=O)Nc1ccc(C2CCCCC2)cc1 299758852 QZFGHXQGIKLKNA-UHFFFAOYSA-N 340.471 4.403 0 50 EIAA c1cc(-c2nc(CN3CC4(CCC4)[C@@H]3C3CCOCC3)cs2)co1 425552260 KSKNMVVVWSHSRO-KRWDZBQOSA-N 344.480 4.184 0 50 EIAA CCOc1ccc(Cc2cccc(I)c2)cc1 498050891 YKTLYZKABLFTBN-UHFFFAOYSA-N 338.188 4.281 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N(Cc2cccc(O)c2)C2CC2)cc1 1506428433 OZVMWLMHVOTQSR-UHFFFAOYSA-N 338.451 4.082 0 50 EIAA CCCc1cnc(C)nc1N1CCC[C@@H]1c1ccc(CN(C)C)cc1 1529113282 DPLWXAPJOOFJSN-HXUWFJFHSA-N 338.499 4.141 0 50 EIAA NC[C@@H]1CCC[C@H](n2ccnc2-c2nc(-c3ccccc3)cs2)C1 1857704211 IQWNLEJKXDEQPC-ZBFHGGJFSA-N 338.480 4.364 0 50 EIAA CC[C@@H](C(=O)Nc1c(Cl)nn(C)c1C(F)(F)F)c1ccccc1 1875275041 RQDSMIWCMSNKSE-SNVBAGLBSA-N 345.752 4.225 0 50 EIAA CC(C)(CNC(=O)c1ccccc1F)c1coc(-c2ccccc2)n1 1875316403 NVISTIKPLREEGZ-UHFFFAOYSA-N 338.382 4.188 0 50 EIAA O=c1c(-c2cccs2)c(O)[nH]c2ccc(-c3cccc(O)c3)cc12 2100477061 AWPWKMJVHFYKNK-UHFFFAOYSA-N 335.384 4.335 0 50 EIAA O=C(Nc1ccc(Cl)c2ncccc12)NC1C[C@H]2CSC[C@@H]2C1 2325865334 YSJBRPWHTPQEDX-QWRGUYRKSA-N 347.871 4.151 0 50 EIAA Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1 76804 LHGOIICTAUOWTG-UHFFFAOYSA-N 346.365 4.120 0 50 EIAA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)cc1 431763 DYLWMFBGCSKYFJ-UHFFFAOYSA-N 334.257 4.004 0 50 EIAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1 453666 WNOFGXFTRGLOHF-UHFFFAOYSA-N 348.855 4.254 0 50 EIAA C[C@H](CCc1ccccc1)NC(=O)c1ccccc1Br 453814 XNHZDWLFUCUSDO-CYBMUJFWSA-N 332.241 4.200 0 50 EIAA Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 454559 FGKLPVPGSCDQOL-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 475002 MDUJVSNVYWRGSC-UHFFFAOYSA-N 338.234 4.467 0 50 EIAA COC(=O)c1sccc1-c1ccc(C(=O)Nc2ccccc2)o1 4001879 RLESMLWWGMYSAV-UHFFFAOYSA-N 327.361 4.047 0 50 EIAA CC(C)c1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccccc1 16626277 GVXYYXWIEAPORL-UHFFFAOYSA-N 340.814 4.296 0 50 EIAA Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccccc2N)c1C 21663224 PHZAOBRYIQBPKL-UHFFFAOYSA-N 347.447 4.142 0 50 EIAA O[C@H](COCc1ccc(Cl)cc1)CSc1nc2ccccc2o1 23114700 USIXDUHOMCFEAM-CQSZACIVSA-N 349.839 4.151 0 50 EIAA CCN(C(=O)c1[nH]c2ccc(C)cc2c1C)[C@H]1CCOC(C)(C)C1 91444531 OCLNMHFQRHRUHC-HNNXBMFYSA-N 328.456 4.204 0 50 EIAA O=C(C[C@H]1CCOc2ccccc21)Nc1ccccc1N1CCCC1 117577647 JXEJJCIBAWQMRX-MRXNPFEDSA-N 336.435 4.182 0 50 EIAA Cc1nc2c(s1)[C@@H](NC1CCN(C3CCCCC3)CC1)CCC2 157545268 SRFHRMDWZNABLP-SFHVURJKSA-N 333.545 4.216 0 50 EIAA COc1cccc([C@@H]2CCN2Cc2cc(Cl)cc(OC)c2OC)c1 215662281 GWTHXNCXXAVYRI-KRWDZBQOSA-N 347.842 4.313 0 50 EIAA CC(=O)N1CCCC[C@H]1c1nc(-c2c(Cl)cccc2Cl)no1 285098219 NEUDIIJZXJIXMF-LBPRGKRZSA-N 340.210 4.117 0 50 EIAA CO[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 448656439 OHSJZSXGNRCVRM-KDOFPFPSSA-N 331.843 4.117 0 50 EIAA O=C(NCCc1c[nH]c2c(Cl)cccc12)c1cc(Cl)ccc1O 1301939697 VOMKYYPGNGBDGC-UHFFFAOYSA-N 349.217 4.153 0 50 EIAA CCCc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C3(O)CC3)cc2)cc1 1772815360 IOMYEHRLGFTEDJ-NRFANRHFSA-N 349.474 4.436 0 50 EIAA O=C(c1onc2ncccc12)N1CCCCC[C@H]1c1cccc(F)c1 1775979298 SOFWKHAXGXGJAD-INIZCTEOSA-N 339.370 4.119 0 50 EIAA CCC[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(Oc2ccccc2)cc1 2325822056 AGAMSQIZZQNIQA-PXNSSMCTSA-N 338.451 4.140 0 50 EIAA O=C([C@H]1CCC2(CCC2)CN1)N1CC[C@H](c2cccc3ccccc23)C1 2325870482 ZBUZCQRBSAYWTF-GHTZIAJQSA-N 348.490 4.078 0 50 EIAA CN(C)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 84951 YJXQXNMNLWGBKZ-UHFFFAOYSA-N 343.228 4.202 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CCCC2)CC1 355325 UTEWSAVWLMYMLV-UHFFFAOYSA-N 334.463 4.054 0 50 EIAA Cc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCC(C)C)c3C)C2)cc1 427723 HUUGMDXWBLKXTB-INIZCTEOSA-N 339.435 4.357 0 50 EIAA O=C(OCc1ccc(Br)cc1)c1cc(Cl)ccc1O 455075 WGDLFZDIFHKOTM-UHFFFAOYSA-N 341.588 4.165 0 50 EIAA Cc1ccccc1CSc1nnc(NC(=O)c2cccs2)s1 618429 CIBFXYXYVQAPTB-UHFFFAOYSA-N 347.490 4.453 0 50 EIAA c1ccc2[nH]c(SCCSc3nc4ccccc4[nH]3)nc2c1 1732786 UNRLFDLJCJWWFG-UHFFFAOYSA-N 326.450 4.324 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 1930514 BOCBVVGOIBTNGD-LFYBBSHMSA-N 327.355 4.044 0 50 EIAA COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC(F)F 2796671 JVVNYHYCOWRBCI-UHFFFAOYSA-N 345.704 4.341 0 50 EIAA Cc1ccc2c(c1)c(=O)c(Br)c(C)n2Cc1ccccc1 2813790 QUYVJXLLFZFCKX-UHFFFAOYSA-N 342.236 4.429 0 50 EIAA O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)on1 3907621 HMIQPAFMHRBCRP-UHFFFAOYSA-N 330.746 4.064 0 50 EIAA aggregator CCOc1ccccc1NC(=O)c1cc(Br)ccc1F 4542198 QNYYZMMRFBABNL-UHFFFAOYSA-N 338.176 4.239 0 50 EIAA COc1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 4542249 VERQLHCZINOUTB-UHFFFAOYSA-N 332.403 4.375 0 50 EIAA CCOc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4611881 IIQRMGJNIGQZFS-LFPRZYRFSA-N 327.468 4.420 0 50 EIAA COc1ccccc1Cc1nc(-c2cccc(Br)c2)no1 4838123 UCMCHHDCJJSHKG-UHFFFAOYSA-N 345.196 4.099 0 50 EIAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(Cl)c1 6697986 NPWODMNEIOUOTE-UHFFFAOYSA-N 342.786 4.054 0 50 EIAA CCCCC1CCC(C(=O)Nc2nnc([C@@H]3CCCO3)s2)CC1 11990484 XPRFPAUBYUSJLW-RUXDESIVSA-N 337.489 4.325 0 50 EIAA CCc1c(C)sc2[nH]c(=S)n(Cc3ccc(OC)cc3)c(=O)c12 17072159 PELWEVAIBSPGDG-UHFFFAOYSA-N 346.477 4.048 0 50 EIAA Cc1sc2nc3sc(CCC4CCCCC4)nn3c(=O)c2c1C 17072300 DMHFCZBXHHIHNN-UHFFFAOYSA-N 347.509 4.495 0 50 EIAA CCN(C/C=C/c1ccccc1OC)Cc1c(C)nn(CC)c1C 55357673 ULZYDBYHAFSFQK-ZRDIBKRKSA-N 327.472 4.064 0 50 EIAA c1ccc(CCCN2CCC[C@H](Nc3cnc4ccccc4n3)C2)cc1 72478646 CSVMCQHIVHGCDN-IBGZPJMESA-N 346.478 4.139 0 50 EIAA CC(C)n1cc(-c2cn(C[C@@H](C)c3ccc(Cl)cc3)nn2)cn1 91665430 ZBYIDHWEEVEAKM-CYBMUJFWSA-N 329.835 4.180 0 50 EIAA Cc1cc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)cs1 91997307 SJXKODUIGNPOQQ-UHFFFAOYSA-N 343.496 4.073 0 50 EIAA Cc1nc(C2CCN(Cc3[nH]c4c(Cl)cccc4c3C)CC2)no1 97660390 URASKZDHFYDICE-UHFFFAOYSA-N 344.846 4.201 0 50 EIAA CC(=O)c1csc(C(=O)N(Cc2ccsc2)c2cccnc2)c1 193498798 OSFHSYRSHFUPHZ-UHFFFAOYSA-N 342.445 4.254 0 50 EIAA CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 229475562 CWIREUOYRDTFPL-KYZVSKTDSA-N 348.512 4.067 0 50 EIAA CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@]3(CC=CCC3)C2)c1C 230212449 UZAXXIHCJCNMLS-IIBYNOLFSA-N 342.483 4.228 0 50 EIAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(F)c(OC)c1 252498466 RCSOTXWHNMGXDW-UHFFFAOYSA-N 341.386 4.370 0 50 EIAA CC(C)[C@@H](NC(=O)C1CCC(C(=O)O)CC1)c1ccc(Cl)cc1 262696825 GRKRAVAOZQMTTN-ZBCRRDGASA-N 337.847 4.044 0 50 EIAA Cc1nc(C2CC2)oc1C(=O)N(Cc1ccsc1)c1cccnc1 281761327 YSRLEAOQCUQXIE-UHFFFAOYSA-N 339.420 4.164 0 50 EIAA CCCN(CCOC)C(=O)c1ccc(-c2cc(C)c(C)c(C)n2)cc1 534654390 YBJPQAPKNPZRGK-UHFFFAOYSA-N 340.467 4.172 0 50 EIAA COc1ccc(CO[C@H]2[C@@H](O)CCCC=C3CC[C@H]2C3(C)C)cc1 1501069276 DAIJQUZAFFORFS-HSALFYBXSA-N 330.468 4.488 0 50 EIAA CCn1nc(CC(C)C)cc1C(=O)Nc1nc2c(F)cccc2s1 1529167912 REBJLGQHOULAEG-UHFFFAOYSA-N 346.431 4.103 0 50 EIAA Cc1nc2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)ccc2s1 1529196724 FRKYFHYFHJIYHF-UHFFFAOYSA-N 348.431 4.102 0 50 EIAA CCOP(=O)(Cc1ccc(OCc2ccccc2)nc1)OCC 1776003926 FORXTFHUMFCZKD-UHFFFAOYSA-N 335.340 4.427 0 50 EIAA Cc1cc2c(c(C(=O)Nc3cc(Cc4ccccc4)ccn3)c1)OCC2 1875341522 WKJLANUPTUZWFL-UHFFFAOYSA-N 344.414 4.168 0 50 EIAA Cc1cc(OCC(=O)Nc2ccc(N(C)C)cc2)cc(C)c1Cl 129284 DCBIPBNUJJCXQW-UHFFFAOYSA-N 332.831 4.040 0 50 EIAA O=C(CSc1nc2ccccc2[nH]1)Nc1cccc2ccccc12 322110 BWVFNEWIUGVZGE-UHFFFAOYSA-N 333.416 4.447 0 50 EIAA O=C(COc1cccc2ccccc12)Nc1nc2ccccc2s1 341361 MGSAGDGNCMSLOL-UHFFFAOYSA-N 334.400 4.467 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(Br)c1 442645 NIHIBTBTLZEANX-HNNXBMFYSA-N 334.213 4.245 0 50 EIAA C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 457539 VAHBTIZXWOIGJP-JTQLQIEISA-N 348.328 4.464 0 50 EIAA O=C(CCCOc1ccccc1)N1CCC(Cc2ccccc2)CC1 2751975 KXFXDJWKCKPXPY-UHFFFAOYSA-N 337.463 4.327 0 50 EIAA CC1(C)CC(=O)c2sc(NC(=O)CCCc3ccccc3)nc2C1 2830086 KBDHLBDUECTXPB-UHFFFAOYSA-N 342.464 4.260 0 50 EIAA COc1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c(OC)cc1Cl 2881206 DKMGGPAEKYVIHK-GFCCVEGCSA-N 349.814 4.072 0 50 EIAA O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 4841563 AMHJVXSFZFOJEX-UHFFFAOYSA-N 331.346 4.218 0 50 EIAA Cn1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc21 9423578 CMYSEJMXQDLNFK-UHFFFAOYSA-N 349.415 4.203 0 50 EIAA COCCN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 12194812 SNQDHVFBXURDKR-UHFFFAOYSA-N 341.499 4.213 0 50 EIAA CC(C)N1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 12382526 QHZGYTUVZIPQKU-UHFFFAOYSA-N 336.888 4.157 0 50 EIAA O=C(c1cccc(Cl)n1)N1CCCC[C@H]1CCc1ccc(O)cc1 55307546 DQLSXZSKRMIUHE-HNNXBMFYSA-N 344.842 4.068 0 50 EIAA COC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67676072 JCWNSQFOBGGZOJ-UHFFFAOYSA-N 334.375 4.133 0 50 EIAA Cc1n[nH]c(C)c1CCCN(C)C(=O)CCCc1ccc(Cl)cc1 77342202 OORRLERQQMHFQE-UHFFFAOYSA-N 347.890 4.094 0 50 EIAA CC(C)COc1ccccc1-c1ncccc1C(=O)N1CCCCC1 97679768 VJTRVHWIQUOQQG-UHFFFAOYSA-N 338.451 4.410 0 50 EIAA Cc1cc(N(C)C)cc(C)c1NC(=O)c1cnc(C(C)(C)C)s1 129632480 VAWBWSSRUNOVOF-UHFFFAOYSA-N 331.485 4.376 0 50 EIAA c1cncc(O[C@H]2CCN(Cc3csc(C4CCCCC4)n3)C2)c1 152213237 JPTFPNRZTYXULJ-SFHVURJKSA-N 343.496 4.239 0 50 EIAA O=C(c1csc(Cl)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 188271568 AASHOVCILCSJEP-NWDGAFQWSA-N 341.885 4.191 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 253433170 STXUVPZYKUDEST-FMQWLBJXSA-N 338.455 4.253 0 50 EIAA O=C1CC[C@H](C(=O)N(CC(F)F)c2ccc(F)cc2)c2ccccc21 284610874 IJYGXOMMBBVAFC-INIZCTEOSA-N 347.336 4.184 0 50 EIAA CCOc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)no2)cc1 302736016 HQTPHDRNXUBMSM-LJQANCHMSA-N 349.434 4.472 0 50 EIAA CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(O)c1F)CCO2 872062895 LNTGNQMQZCIEEA-LRDDRELGSA-N 331.387 4.104 0 50 EIAA O=C(C1CC1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 953089712 OIQSKDSKROTEMN-UHFFFAOYSA-N 348.490 4.137 0 50 EIAA COc1ccc(-c2ccncc2)cc1-c1cnc(C2CCOCC2)o1 1875272499 KKXSFAWNHGOGGS-UHFFFAOYSA-N 336.391 4.306 0 50 EIAA C=CC(=O)N[C@H](c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1 1875368885 STXLMUUPUIUPPS-HNNXBMFYSA-N 340.732 4.145 0 50 EIAA CCCc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccccc2C)cc1 2325842468 ZOCCDHRDNSDTAQ-QUCCMNQESA-N 325.496 4.449 0 50 EIAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1Cl 63540 HRPQXAQZTIEDNE-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA CCc1sc(N)c(C(=O)OC)c1-c1ccc(Br)cc1 151437 KDKRGAXHTKFGLL-UHFFFAOYSA-N 340.242 4.109 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)cc1 174167 FAANTYMBJDUADH-UHFFFAOYSA-N 341.461 4.040 0 50 EIAA COc1cc(CN2CCC3(C=Cc4ccccc43)CC2)cc(OC)c1 217231 NBPCLBPRMCUYSH-UHFFFAOYSA-N 335.447 4.264 0 50 EIAA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(F)cc2F)cc1 359662 SMBFIWJNTWVGSU-UHFFFAOYSA-N 348.418 4.389 0 50 EIAA COc1cccc(C(=O)c2sc3nc(C)c(C)c(C)c3c2N)c1 377357 YFGDWZZVORZNMR-UHFFFAOYSA-N 326.421 4.043 0 50 EIAA CC(=O)O[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 389842 GXLZCXZLVDUDHP-OAQYLSRUSA-N 332.399 4.227 0 50 EIAA in-vitro COc1cc(SC)ccc1C(=O)Nc1ccc(F)c(Cl)c1 455674 ALVQQVOEOGFHNK-UHFFFAOYSA-N 325.792 4.462 0 50 EIAA S=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccncc1 528807 VUUBJAKPCRJJSU-UHFFFAOYSA-N 333.460 4.481 0 50 EIAA CCn1nccc1C(=O)Nc1cc2oc3ccccc3c2cc1OC 2764633 DVXXQUDTDSSQDN-UHFFFAOYSA-N 335.363 4.063 0 50 EIAA Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 11844615 VJVNEDOTHFQMRN-CQSZACIVSA-N 348.393 4.055 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1 16604524 UATRFEFKNDHYHG-UHFFFAOYSA-N 347.871 4.134 0 50 EIAA Brc1c(OCCCn2ccnc2)ccc2ccccc12 32662710 KYXSIKPMDOLPDG-UHFFFAOYSA-N 331.213 4.268 0 50 EIAA C[C@@H](Cc1cccs1)NC(=O)c1ccc(CN2CCCCC2)cc1 33206058 SAVLKROSEDOSDN-INIZCTEOSA-N 342.508 4.095 0 50 EIAA Fc1ccc(CN(Cc2ccc(Cl)nc2)C[C@H]2CCCO2)cc1 55371232 TXOLCDCXYOLKLU-QGZVFWFLSA-N 334.822 4.055 0 50 EIAA Cc1cc(C)n([C@@H](C)Cn2ccnc2-c2c(C)ccc3ncccc23)n1 77459398 CTSMEWKEUMUCNJ-KRWDZBQOSA-N 345.450 4.481 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)c1 77539028 RMVINEQRSXTSLA-GOSISDBHSA-N 331.362 4.341 0 50 EIAA CCC(CC)c1cc(CNC(=O)[C@H](c2ccccc2)C2CC2)on1 156168097 BNUIUZSINFFOBV-LJQANCHMSA-N 326.440 4.388 0 50 EIAA O=C(c1cnc2ccccc2n1)N(CC1CCCCC1)c1ccccn1 179285715 NFZFSAKVFLJFJU-UHFFFAOYSA-N 346.434 4.252 0 50 EIAA Cc1nc(CN(C)[C@@]2(CO)CC[C@@H](C)C2)oc1-c1ccc(Cl)cc1 225333735 ZJFWYQUUFHJRQS-YJYMSZOUSA-N 348.874 4.286 0 50 EIAA CSc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1ncc(C)s1 241371429 MNNHFVZKSKKANP-NEPJUHHUSA-N 335.498 4.295 0 50 EIAA O=C(CCCc1c[nH]c2ccccc12)N1CC=C(C(F)(F)F)CC1 270315490 ZQTAMJLIPPFDQG-UHFFFAOYSA-N 336.357 4.212 0 50 EIAA CCC1(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCC1 270367388 SNQWALFDSWXHOY-UHFFFAOYSA-N 336.439 4.056 0 50 EIAA CC(C)(C)OC(=O)N1CCCc2c1cnn2-c1ccc(Cl)cc1 382674949 MKNGIZBZIRSFIO-UHFFFAOYSA-N 333.819 4.213 0 50 EIAA CC[C@@H](NC(=O)c1cnc2ccccc2c1)c1nc(C)c(C)s1 822668884 NACMKKFRXRHFET-OAHLLOKOSA-N 325.437 4.189 0 50 EIAA CN1CCC[C@@H]1CSc1nnc(-c2ccc3ccccc3c2)o1 916709615 LOBBYTUPQYKOAD-MRXNPFEDSA-N 325.437 4.076 0 50 EIAA Cc1nocc1NC(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1 931812862 LCSCVBVYBFKJHC-OAHLLOKOSA-N 339.848 4.327 0 50 EIAA O=C(Cc1c(Cl)cccc1Cl)OCCNc1cccc(F)c1 952876322 MJXPWSVKFNVQTD-UHFFFAOYSA-N 342.197 4.330 0 50 EIAA Cc1occ(C(F)(F)F)c1CNc1cccc2c(=O)n(C)ccc12 1875329712 FITRXKMYAVJTFI-UHFFFAOYSA-N 336.313 4.071 0 50 EIAA Cc1nc2ccc(C(=O)O[C@@H]3CCC[C@@H]3c3cccnc3)cc2s1 2325743032 WRZZIGOHBQNJHH-NVXWUHKLSA-N 338.432 4.493 0 50 EIAA O=C(O)[C@H]1CN(Cc2csc(-c3cccs3)n2)C2(CCCC2)C1 2325786875 RDXUIZGHIIVASE-GFCCVEGCSA-N 348.493 4.091 0 50 EIAA CCc1cc2c(SCC(=O)c3ccc(F)cc3)ncnc2s1 72472 BSMBDMZAVQVAOY-UHFFFAOYSA-N 332.425 4.368 0 50 EIAA COc1ccc(CNC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 376271 ZGVDLKMAUYCGRX-MDZDMXLPSA-N 336.218 4.332 0 50 EIAA Cc1ccc(NC[C@@H](O)Cn2c3c(c4ccccc42)CCCC3)cc1 381912 XIDFVJFDFPMONH-GOSISDBHSA-N 334.463 4.302 0 50 EIAA CCC(=O)Oc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 469325 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CN(Cc1cc(Cl)ccc1F)C(=O)c1cccc2cccnc12 347244893 VSLYNSVMBJQZLZ-UHFFFAOYSA-N 328.774 4.300 0 50 EIAA CSc1c(F)cc(NC(=O)c2ccncc2C(F)(F)F)cc1F 354620337 MWBSVQGXEKZVNT-UHFFFAOYSA-N 348.296 4.353 0 50 EIAA Cc1noc(C2CC2)c1NCc1nc(C(F)(F)F)n2c1CCCC2 1474267972 RKXGXLLZGVJWDR-UHFFFAOYSA-N 340.349 4.024 0 50 EIAA Cc1nc([C@H](C)N(C)Cc2cc(O)c3cccc(F)c3n2)c(C)s1 1506425626 GLCOJENOEPTAQH-JTQLQIEISA-N 345.443 4.346 0 50 EIAA Cc1ccccc1[C@@H](NC(=O)c1cccc([S@@](C)(=N)=O)c1)C(C)C 1775992288 KWQJARVZFVQSFL-UUOWRZLLSA-N 344.480 4.158 0 50 EIAA FC(F)(F)Oc1ccc(-c2nccn2CC[C@H]2CCCOC2)cc1 1857676872 UXJBRNYBHJALSV-CYBMUJFWSA-N 340.345 4.265 0 50 EIAA CC(C)C[C@@H]1CC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 1875356131 GUIDYJZSMZZRNZ-HOCLYGCPSA-N 331.504 4.460 0 50 EIAA O=C1N/C(=C\c2ccccc2Cl)C(=O)N1Cc1ccc(Cl)cc1 73999 UFPCGALCDDIJGT-DHDCSXOGSA-N 347.201 4.086 0 50 EIAA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(F)cc1 77602 ZOOBSZCMNMFBFQ-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA Cc1cc(OCC(=O)N2CCCc3ccccc32)cc(C)c1Cl 79205 HLBAASFZTYUPFL-UHFFFAOYSA-N 329.827 4.315 0 50 EIAA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(F)c1 105915 VRDCEUVVLRMVGA-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C)C2 127474 DWJMBMSQOGEALK-JTQLQIEISA-N 349.477 4.363 0 50 EIAA C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=S)N(c1nc3ccccc3s1)N2 197211 XYQIHLDLNHFALM-GTNSWQLSSA-N 346.525 4.038 0 50 EIAA CCN(CC)C(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1 238399 UJCHLWQIQBYYAO-UHFFFAOYSA-N 334.423 4.164 0 50 EIAA O=Cc1ccc(OC(=O)c2cccc(Cl)c2)c(Br)c1 316921 WDOGOWPOTPUVRM-UHFFFAOYSA-N 339.572 4.134 0 50 EIAA COc1cc(OC)c(NC(=O)Oc2ccc3c(c2)CCC3)cc1Cl 401887 TXCRTBJHWNQKRK-UHFFFAOYSA-N 347.798 4.457 0 50 EIAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)c1 450340 NDTDVMWWDPLVPD-UHFFFAOYSA-N 348.855 4.254 0 50 EIAA Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2CCCCCC2)CCCC1 571507 IEBHUWAFPRHWNL-GOSISDBHSA-N 340.511 4.065 0 50 EIAA Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)no1 815121 DVWXMLDTVQAQOR-UHFFFAOYSA-N 338.150 4.197 0 50 EIAA Cc1ccc(C)c(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c1 2360876 LCUNHSKFYWSMJE-UHFFFAOYSA-N 347.823 4.273 0 50 EIAA Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)cc1 3116642 SNXRGBFTZLPKRH-UHFFFAOYSA-N 330.796 4.386 0 50 EIAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cccc(F)c1 4841605 CFWMYLDYXPIQCW-AWEZNQCLSA-N 340.398 4.093 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(Br)cc1Cl 4842849 ATQXIEKZQLMXFF-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA CCCCCCOc1ccc(CN2CCC[C@@H](C(=O)OCC)C2)cc1 4988010 BDDGVQWUFQGKSV-LJQANCHMSA-N 347.499 4.421 0 50 EIAA CCOC(=O)c1cnc2c(Cl)cc(Br)cc2c1Cl 19808119 PBEWDGPPZOIINM-UHFFFAOYSA-N 349.011 4.481 0 50 EIAA CN1C=CC(OC(=O)Nc2ccc(Cl)cc2C(F)(F)F)=CC1 19909483 YSELGOSVYDSKDC-UHFFFAOYSA-N 332.709 4.250 0 50 EIAA FC(F)(F)c1cnc(C[C@H]2NCCc3ccccc32)c(Cl)c1 20389256 WOCFRHHBLPZBOD-CQSZACIVSA-N 326.749 4.183 0 50 EIAA CCCn1cc(-c2ccnc(N[C@H]3CCc4ccccc43)n2)c(C)n1 48488527 IVBNDKUYYONSFM-SFHVURJKSA-N 333.439 4.158 0 50 EIAA CC[C@H](C)N(Cc1sccc1C)C(=O)c1ccc2cccnc2n1 55060715 FINIYNWPTJOEGU-AWEZNQCLSA-N 339.464 4.441 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N(C)CCC[C@H]3CCCO3)c2c1 77378810 YNZSWPFARLZNNT-KRWDZBQOSA-N 340.467 4.137 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2nc(O)ccc12 98181761 JQLNDNLAOFHEQQ-UHFFFAOYSA-N 332.281 4.212 0 50 EIAA C[C@H](CC(=O)N(C)c1ccccn1)c1ccc(Br)cc1 158310256 RSRFNKFQBZGQNT-GFCCVEGCSA-N 333.229 4.001 0 50 EIAA Cc1cscc1C(=O)Nc1cccc(CN2CCSCC2)c1C 176276500 SMKPRJBFEQDLJT-UHFFFAOYSA-N 346.521 4.166 0 50 EIAA Cn1ccc2cc(CN3CCC([C@H](O)c4cccs4)CC3)ccc21 216113261 VDZILAYETSUTRJ-FQEVSTJZSA-N 340.492 4.185 0 50 EIAA CC(C)=CCC/C(C)=C/CN1CCCn2nc([C@@H](O)C3CC3)cc2C1 219017944 RBEWMZCBLKEWJC-KRWRZEAGSA-N 343.515 4.225 0 50 EIAA Cc1nc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)c(C)o1 297607923 GNCVXFVMGXRZGE-CYBMUJFWSA-N 346.736 4.320 0 50 EIAA COc1ccc([C@H](NCc2ncc[nH]2)c2ccccc2Cl)c(C)c1 408512996 IDHQCJKULORJDE-IBGZPJMESA-N 341.842 4.259 0 50 EIAA CO[C@@H]1Cc2ccc(NCc3ncc(-c4ccc(F)cc4)o3)cc2C1 783892062 BVQCKXQBBQDOBK-GOSISDBHSA-N 338.382 4.206 0 50 EIAA CCCOc1ccc(NC(=O)c2cc(C(F)F)nn2C)cc1Cl 952970426 KINGTKBEUCQKPQ-UHFFFAOYSA-N 343.761 4.052 0 50 EIAA CC1(C)CCc2onc(C(=O)N3CCCC[C@@H]3CC3CCC3)c2C1 1148513137 NLIXMRONEPYNOT-OAHLLOKOSA-N 330.472 4.374 0 50 EIAA C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccnc3[nH]ccc23)cc1 2325719916 DUCQVWLTLGBLHT-HNNXBMFYSA-N 348.450 4.190 0 50 EIAA CCCCCOc1ccc(C(=O)CCC(=O)Nc2cncs2)cc1 2325721033 RQRIEGDUBLQSOK-UHFFFAOYSA-N 346.452 4.314 0 50 EIAA CC(C)n1nc(-c2ccccc2Cl)nc1[C@@H]1CC[C@H]2CCC(=O)N21 2325849631 VRXXJNJJWQVGRO-WFASDCNBSA-N 344.846 4.005 0 50 EIAA CC(=O)[C@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 82849 ZZBZHKRMPYPASA-LBPRGKRZSA-N 342.778 4.470 0 50 EIAA COc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O 206396 DMPBYYNOBGTZTB-UHFFFAOYSA-N 337.375 4.149 0 50 EIAA Cc1cc(C)cc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 316840 UVZSNBJFNFXBPK-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA COc1cc(C)c(CN2CCN(c3cccc(C)c3C)CC2)cc1C 1227632 PKNRHISBGMINQE-UHFFFAOYSA-N 338.495 4.251 0 50 EIAA O=C(NCc1ccco1)C1(c2ccc(Br)cc2)CCCC1 2861661 ABEPCXXQUHYGDV-UHFFFAOYSA-N 348.240 4.170 0 50 EIAA CCCOc1cccc(C(=O)NC(=S)Nc2ccc(CC)cc2)c1 2998428 IHIRQMKNJUFUKB-UHFFFAOYSA-N 342.464 4.165 0 50 EIAA Cc1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1 3415892 LAFNOPKLTJTODA-UHFFFAOYSA-N 336.391 4.431 0 50 EIAA CC1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1 4845382 FKJMVDLMELUKBZ-UHFFFAOYSA-N 325.452 4.376 0 50 EIAA Cc1cc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc1C(C)C 5073662 FEHSPDGIMNPGSF-HKUYNNGSSA-N 327.468 4.209 0 50 EIAA CCc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 6698781 NURLIBFLNBHRHF-UHFFFAOYSA-N 337.467 4.035 0 50 EIAA Cc1ccc(-n2nnnc2COc2cccc3ccccc23)c(C)c1 6764287 ZMQZMNXERPREJS-UHFFFAOYSA-N 330.391 4.011 0 50 EIAA CCn1ccnc1Cn1ccc(-c2cccc(-c3ccncc3C)c2)n1 20994983 NGRSBOZXFRWOBM-UHFFFAOYSA-N 343.434 4.185 0 50 EIAA CC(=O)c1ccc(N2CCN(Cc3cccc4ccccc34)CC2)cc1 23114952 AWMHRBYEPMUHDD-UHFFFAOYSA-N 344.458 4.365 0 50 EIAA Cc1ccc(N[C@](C)(C(=O)NCc2ccncc2)c2ccccc2)cc1 55212032 CEJFHCQLYOLHLB-QFIPXVFZSA-N 345.446 4.034 0 50 EIAA CC(C)(C)OC(=O)N1CCc2c1ccc(Br)c2Cl 114738525 FTLHKFKCMDCCLY-UHFFFAOYSA-N 332.625 4.400 0 50 EIAA C[C@H]1C[C@@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)CC[C@H]1C 134832688 CUIDCZRJSDFRHC-JENQJIHHSA-N 349.540 4.351 0 50 EIAA Cc1cccc(NC(=O)c2ccncc2Br)c1Cl 158739841 BJCKWHUEHKYLKD-UHFFFAOYSA-N 325.593 4.058 0 50 EIAA CN(C)c1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 170637477 LVAAWWYKLOMOOV-IRXDYDNUSA-N 329.831 4.084 0 50 EIAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](c2ccccc2)C1 215235879 GZGWDRKDXNVEPL-LJQANCHMSA-N 347.462 4.141 0 50 EIAA CN(Cc1cnc2ccccc2n1)C(=O)c1ccc(Cl)c(Cl)c1 222820974 BRLIFLTUEKJFMY-UHFFFAOYSA-N 346.217 4.209 0 50 EIAA Cc1oc2c(c1C(=O)N[C@H](CC(C)C)c1cccnc1)C(=O)CCC2 244718856 LSERIRNHPJRPSG-OAHLLOKOSA-N 340.423 4.019 0 50 EIAA CCCC[C@@H]1C=CCN1C(=O)Nc1cnn(Cc2ccccc2F)c1 426471353 LDZGCDCOJQWVSN-QGZVFWFLSA-N 342.418 4.033 0 50 EIAA O=C(O)CCc1cccc(NC(=O)c2[nH]c3ccccc3c2Cl)c1 786619215 LNXMKBWUXZTSRN-UHFFFAOYSA-N 342.782 4.091 0 50 EIAA CCCCc1ccc(C(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)cc1 952968022 JAAULSYZJAWRRB-ZDUSSCGKSA-N 337.423 4.211 0 50 EIAA CCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H](C(F)F)C2)cc1 1190443360 NOEMUFZHOQINBI-ZDUSSCGKSA-N 345.455 4.040 0 50 EIAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3cc4ccccc4o3)C1)CC2 1704325653 OQOJMVJTESOFSA-NRFANRHFSA-N 333.435 4.011 0 50 EIAA Clc1ccc(-c2n[nH]cc2-c2nc(=Nc3ccccc3)[nH]o2)s1 1875356122 GJKZZGSKLZRCBQ-UHFFFAOYSA-N 343.799 4.007 0 50 EIAA CC(=O)c1ccc(N2CCOCC2)c(-c2cc(-c3ccccc3)no2)c1 2100473371 KLYXCHUCGUBVRG-UHFFFAOYSA-N 348.402 4.048 0 50 EIAA C[C@@H](NCc1cccc2c1CCOC2)c1ccc(-c2cncnc2)cc1 2325761014 SNZCCRMRTZNPBE-MRXNPFEDSA-N 345.446 4.067 0 50 EIAA CCOC(=O)c1c[nH]nc1SCCc1ccc2ccccc2c1 2325854878 ZXSAETBABTXCAR-UHFFFAOYSA-N 326.421 4.074 0 50 EIAA Cc1c(Cl)cccc1NS(=O)(=O)c1sccc1C1CC1 2325866122 AOISNKBNEFKOPI-UHFFFAOYSA-N 327.858 4.388 0 50 EIAA COc1ccc(C)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 145202 VIUAUWCULJSONB-UHFFFAOYSA-N 333.815 4.291 0 50 EIAA O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCC1 188573 ISNKZMJBHNMTJD-UHFFFAOYSA-N 331.419 4.165 0 50 EIAA COc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1 210981 SXNGIQMKLVGVJE-UHFFFAOYSA-N 338.432 4.283 0 50 EIAA O=C(Nc1ccccn1)[C@@H]1CC2c3ccccc3C1c1ccccc12 327373 WKPBIALGYQFOJI-OBXNSHGQSA-N 326.399 4.317 0 50 EIAA O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1ccccc1 335825 XLSUVTMFXMBWTI-UHFFFAOYSA-N 327.405 4.112 0 50 EIAA Cc1c(C)n(C)c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc12 355737 PUJDCYCUWPUCSR-UHFFFAOYSA-N 336.479 4.350 0 50 EIAA CC(C)(C)c1csc(NC(=O)c2ccccc2Br)n1 451044 JBBLRGITDARWCN-UHFFFAOYSA-N 339.258 4.455 0 50 EIAA O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 453684 GJTHTRWTEGKEMF-UHFFFAOYSA-N 346.415 4.248 0 50 EIAA C[C@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1 461246 HANOBIHSLKCFGR-QGZVFWFLSA-N 333.431 4.356 0 50 EIAA O=C(Nc1nc2ccccc2[nH]1)C1c2ccccc2Oc2ccccc21 476098 XZEBJOUVYWWRDA-UHFFFAOYSA-N 341.370 4.439 0 50 EIAA CCc1ccc(C(=O)COC(=O)c2ccc(Br)cc2)cc1 482466 WNHNNCPOYGEITD-UHFFFAOYSA-N 347.208 4.051 0 50 EIAA O=c1c2ccccc2ncn1CCCCOc1ccc2ccccc2c1 2862871 COSMAGLOVAKPAK-UHFFFAOYSA-N 344.414 4.409 0 50 EIAA OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 4198750 DVQYFYUODSFBFS-UHFFFAOYSA-N 340.426 4.216 0 50 EIAA in-vitro CC1CCN(CCOCCOc2ccccc2-c2ccccc2)CC1 4845313 CVVWFILCNQEOER-UHFFFAOYSA-N 339.479 4.481 0 50 EIAA Cc1cccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 5063444 MFTIFORDEMGKSL-UHFFFAOYSA-N 342.508 4.415 0 50 EIAA Cc1cc(-c2ccccc2)nc(SCc2ccc(C(=O)O)cc2)n1 5069116 QPMFXKLDLDBXFX-UHFFFAOYSA-N 336.416 4.443 0 50 EIAA Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 12836738 BCYFQBBGAIKEFU-AWEZNQCLSA-N 348.393 4.055 0 50 EIAA COc1ccc(OCc2cc(C=O)ccc2OC)c(C(C)(C)C)c1 32919313 OMFZTQLQODJKGZ-UHFFFAOYSA-N 328.408 4.393 0 50 EIAA CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1 64800716 VJSFHNRMLWIHEP-UHFFFAOYSA-N 347.422 4.213 0 50 EIAA Cc1cnc(CNc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)o1 127772946 PASBGECMMJBDPD-GFCCVEGCSA-N 347.846 4.263 0 50 EIAA O=C(Nc1ncccc1Cl)c1ccc(Br)cc1Cl 179967320 LITJKSHHTRGJDQ-UHFFFAOYSA-N 346.011 4.403 0 50 EIAA Cc1ccc(CC(=O)Nc2ccc(Oc3ccncc3)c(C)c2)cn1 193702515 NYKMSBXTBXLZER-UHFFFAOYSA-N 333.391 4.067 0 50 EIAA O=C(Nc1c(F)cccc1F)N1CCCC[C@@H]1CCc1ccccn1 299761996 TWHPIMGYKRWIPE-OAHLLOKOSA-N 345.393 4.379 0 50 EIAA Cc1c(NC[C@H]2CCO[C@H](C)C2)cccc1NC(=O)c1ccccc1 408514805 JVMHRFHDDSAEKZ-WBVHZDCISA-N 338.451 4.474 0 50 EIAA Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)n2ncnc21 925099390 WJCSJCFOMPAYRF-HYVNUMGLSA-N 338.480 4.227 0 50 EIAA COc1cc([C@@H](C)NC2CCN(c3ccc(Cl)cc3)CC2)ccn1 952845220 GUCQCPTXNUGLOR-CQSZACIVSA-N 345.874 4.063 0 50 EIAA Cc1ncsc1CCN(C)Cc1cnc(-c2ccccc2)s1 952991282 MWDQLMBQQWAGRP-UHFFFAOYSA-N 329.494 4.250 0 50 EIAA Cc1nc2ccc(C(=O)O[C@H]3CCC[C@@H]3c3cccnc3)cc2s1 2325743034 WRZZIGOHBQNJHH-WBVHZDCISA-N 338.432 4.493 0 50 EIAA Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cc3)n2)cc1 421396 KMSVCYIJSZKARY-UHFFFAOYSA-N 347.370 4.137 0 50 EIAA O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccncc1 900584 PFDCOZXELJAUTR-SFHVURJKSA-N 338.794 4.069 0 50 EIAA biogenic,in-vitro O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1 4510481 STNUUELXYLFSBC-UHFFFAOYSA-N 334.400 4.486 0 50 EIAA CO[C@@H]1CCCN(C(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1 11934599 CMHCNFYEZBYCNU-MRXNPFEDSA-N 342.439 4.127 0 50 EIAA CC(C)c1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 14560243 JABLSDHEBMAPCL-UHFFFAOYSA-N 336.435 4.298 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1C 31112929 BHAWOQDYHNXXKB-UHFFFAOYSA-N 330.815 4.178 0 50 EIAA CC(C)(C)c1nc(CNc2ccccc2N2CCCCCC2)no1 172866768 MGMBHXBKOJMBFP-UHFFFAOYSA-N 328.460 4.360 0 50 EIAA CCc1nnc(-c2cccc(NC(=O)C(C)(C)c3cccs3)c2)o1 175376360 XHTYYVQTMSKXNM-UHFFFAOYSA-N 341.436 4.277 0 50 EIAA C[C@H](Sc1nncn1-c1ccccc1)c1ncc(C(C)(C)C)o1 177170200 HUXDAJANNZSPLE-LBPRGKRZSA-N 328.441 4.406 0 50 EIAA Cc1nc(Cl)cc(Nc2cccc(OCc3ccccn3)c2)n1 301148450 LFIRAZAQLNSSFP-UHFFFAOYSA-N 326.787 4.156 0 50 EIAA CC(C)c1ccc([C@@H](CCO)NC(=O)N(C)Cc2ccsc2)cc1 534660288 WMQMCCNXNJZVRL-GOSISDBHSA-N 346.496 4.137 0 50 EIAA COCCC1CCN(Cc2ccc(OC)c3cccc(OC)c23)CC1 952983838 RDZUHCYEYCXMMV-UHFFFAOYSA-N 343.467 4.106 0 50 EIAA Cc1nc2ccc(C(=O)O[C@@H]3CCC[C@H]3c3cccnc3)cc2s1 2325743031 WRZZIGOHBQNJHH-DOTOQJQBSA-N 338.432 4.493 0 50 EIAA CCOc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 193748 WIEMMWUTFXAPGM-GJZGRUSLSA-N 347.480 4.190 0 50 EIAA Nc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 203367 LNIOWHUNCGJTJZ-UHFFFAOYSA-N 329.403 4.365 0 50 EIAA Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 238083 TUBHCNSAYAQXGS-UHFFFAOYSA-N 329.359 4.329 0 50 EIAA O=C(O)CSc1c(NC(=O)c2ccccc2)sc2c1CCCC2 284275 QMIWMUPLCUJCBJ-UHFFFAOYSA-N 347.461 4.056 0 50 EIAA C[C@]1(c2ccc(Br)cc2)NN=C(c2ccccc2)S1 2920300 JWIKUYGTKQWIEZ-HNNXBMFYSA-N 333.254 4.320 0 50 EIAA COC(=O)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1 4050316 FBGGPDRYGATLLC-UHFFFAOYSA-N 333.309 4.495 0 50 EIAA CSc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C 4840734 PDIGLDOXXOXVBP-UHFFFAOYSA-N 342.464 4.189 0 50 EIAA c1cnc(Oc2cccc(CNC34CC5CC(CC(C5)C3)C4)c2)nc1 13731521 XCQZMJWGRODHSU-UHFFFAOYSA-N 335.451 4.327 0 50 EIAA CC(C)c1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccccc1 16625380 QBUOWVCPYZKDFH-UHFFFAOYSA-N 340.814 4.296 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 17015428 VPFOHMMLGUXLCX-UHFFFAOYSA-N 344.823 4.481 0 50 EIAA N=c1oc2ccccc2cc1C(=O)Nc1cccc(Cl)c1Cl 17068496 XOMLSJOBINHRCW-UHFFFAOYSA-N 333.174 4.471 0 50 EIAA CC(C)CN1C[C@H](c2nc(-c3cccc4ccccc34)c[nH]2)CC1=O 20599363 WKGONWRQSCQLMO-MRXNPFEDSA-N 333.435 4.202 0 50 EIAA Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 28291360 QSVDKBIDUWZSCG-GOSISDBHSA-N 342.508 4.260 0 50 EIAA COc1ccc(Oc2ccc(NC(C)=O)cc2)cc1CN1CCCC1 67834400 MKPOSGCANPAGLX-UHFFFAOYSA-N 340.423 4.042 0 50 EIAA COc1ccc(F)c(-c2nc(COc3cccnc3C)c(C)o2)c1 67973740 FOZAOIAKPRGEGK-UHFFFAOYSA-N 328.343 4.080 0 50 EIAA c1ccc([C@H](Cn2ccnc2-c2ccncc2)N2CCCCC2)cc1 71757033 YKMGUWHNOMJVBX-FQEVSTJZSA-N 332.451 4.172 0 50 EIAA CCc1ccc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)nc1 72462661 DLJCOAOVANCGGU-UHFFFAOYSA-N 347.397 4.105 0 50 EIAA Cc1cccc([C@H]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)C2)c1 77407484 BCSHRHVTZZUDGR-IBGZPJMESA-N 345.446 4.405 0 50 EIAA Cc1ccc(C[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2C)cc1 101152266 HGVYNGSVGNPDNN-XJKSGUPXSA-N 341.838 4.325 0 50 EIAA Cc1ccc(C)c(C[S@@](=O)Cc2csc([C@@H]3CCCO3)n2)c1 134274229 UJMFSDMSAQSWCD-AOMKIAJQSA-N 335.494 4.060 0 50 EIAA C[C@@H](c1nc(C(C)(C)C)no1)N1CCc2[nH]c3ccc(F)cc3c2C1 171621264 BIIYIRKLLMWVCR-NSHDSACASA-N 342.418 4.107 0 50 EIAA COCCN(Cc1cccc2c1oc1ccccc12)C[C@H]1CCCO1 215066704 NUPCFGZWHPLKQO-QGZVFWFLSA-N 339.435 4.213 0 50 EIAA Cc1scc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C 273315721 PYIYJGYTCRDEIV-AEFFLSMTSA-N 347.455 4.496 0 50 EIAA CN(Cc1ccc2cn[nH]c2c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273510722 QXAKRJUXUJCLIM-AZUAARDMSA-N 339.414 4.054 0 50 EIAA Cc1csc([C@H](C)C(=O)N2CCC(c3ccccc3F)CC2)n1 668912556 INQGONVRUSBISV-ZDUSSCGKSA-N 332.444 4.100 0 50 EIAA O=C(CCc1cnc2ccccc2c1)O[C@H]1CCC[C@H]1c1cccnc1 2325743020 RXVOYNXFHBZTNC-FPOVZHCZSA-N 346.430 4.442 0 50 EIAA Cc1nc2ccc(C(=O)NCc3noc(-c4ccccc4)c3C)cc2o1 2325818975 JIVPRGJIWKYHFK-UHFFFAOYSA-N 347.374 4.030 0 50 EIAA CC1CCN(C(=O)NCc2ccn(-c3ccc(Cl)cc3)c2)CC1 2325901137 VKVLAZADTJEZEP-UHFFFAOYSA-N 331.847 4.072 0 50 EIAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(C(C)C)cc3)C1)CC2 2356157374 HXEXUAJENDMSGK-QFIPXVFZSA-N 349.478 4.029 0 50 EIAA CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 127477 DWJMBMSQOGEALK-SNVBAGLBSA-N 349.477 4.363 0 50 EIAA COc1ccc2oc(-c3ccc(Br)cc3)cc(=O)c2c1 265305 SUJWPCRQLULQDD-UHFFFAOYSA-N 331.165 4.231 0 50 EIAA CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2[nH]1 381800 CVNMXIDZNSQPGG-UHFFFAOYSA-N 325.437 4.165 0 50 EIAA CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1OC 440508 WGSDTVJSBTXGRK-UHFFFAOYSA-N 346.452 4.364 0 50 EIAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 456449 QUBDAKZNOSKPAB-YPUOHESYSA-N 344.436 4.025 0 50 EIAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 468384 IBTUAZWREFCFRC-UHFFFAOYSA-N 343.688 4.340 0 50 EIAA C[C@@H](CC(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1 616939 KXOZPRCZAWDEPS-AWEZNQCLSA-N 337.448 4.261 0 50 EIAA CCCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1 621516 LYAJKJKLCFSVRG-UHFFFAOYSA-N 338.386 4.137 0 50 EIAA CCCOc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 2586410 FZMBTDUEEZLVOI-UHFFFAOYSA-N 340.375 4.266 0 50 EIAA biogenic COc1ccc(C)cc1S(=O)(=O)Oc1cc(Cl)ccc1Cl 3000297 LFHPGBMIDJPWSN-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA O[C@H](CSc1ccccn1)Cn1c2c(c3ccccc31)CCCC2 4710129 KKVULXWNAMOYPI-HNNXBMFYSA-N 338.476 4.068 0 50 EIAA Cc1cc(Cl)ccc1-n1c(S)nnc1CCc1ccccc1 6527828 BRQREOGYSWLTNS-UHFFFAOYSA-N 329.856 4.303 0 50 EIAA Cc1nn2c(=O)c3c([nH]c2c1-c1cccc2ccccc12)CCCC3 6556438 DBJMKDZAUPTBRR-UHFFFAOYSA-N 329.403 4.030 0 50 EIAA O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccn1 6733413 WJQBOBGVBBZLJU-HNNXBMFYSA-N 325.799 4.024 0 50 EIAA COc1cc(NC(=O)c2oc3ccccc3c2C)cc(OC)c1OC 6902513 XSPCZFJZCORHRF-UHFFFAOYSA-N 341.363 4.019 0 50 EIAA CN(C(=O)CC1=CCCCC1)[C@H]1CCCN(CCc2ccccc2)C1 12438369 CTMAHIWRNVSJDN-NRFANRHFSA-N 340.511 4.042 0 50 EIAA CCOc1ccc(CC(=O)Nc2ccccc2Br)cc1 13325645 XRFLDYOLXMJFJD-UHFFFAOYSA-N 334.213 4.029 0 50 EIAA CCc1c(O)nc(SCc2ccccc2)n(C2CCCCC2)c1=O 13957334 PAPDLPKOLAJGGC-UHFFFAOYSA-N 344.480 4.309 0 50 EIAA Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 36620823 DJSQGIBTNXTHGR-KRWDZBQOSA-N 338.407 4.135 0 50 EIAA Cc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 48290687 JNRINPCGFXJNSF-SFHVURJKSA-N 336.479 4.084 0 50 EIAA Cc1[nH]c2ccc(C(=O)N3CC[C@@](C)(O)[C@@H](CC(C)C)C3)cc2c1C 67846655 JGAMOVZJIWNDKV-LAUBAEHRSA-N 342.483 4.044 0 50 EIAA Cc1ccc(C)c(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)c1 71749109 AZGGNMJRUSXJOA-FQEVSTJZSA-N 337.463 4.167 0 50 EIAA OCCCCN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 72121674 ASOZNSONVFRYFY-OAHLLOKOSA-N 329.406 4.123 0 50 EIAA CC(=O)Nc1ccc(-c2nccn2-c2cnc3ccccc3c2)cc1 72148521 OSUUYOLFOCERDI-UHFFFAOYSA-N 328.375 4.046 0 50 EIAA CN(C(=O)c1ccccc1-c1ncc[nH]1)[C@@H]1CCCc2ccccc21 77407202 ADKNPECEEDYTOF-LJQANCHMSA-N 331.419 4.226 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@@H]3c3ccccn3)c(C)c2c1 92028285 FUINXPOJTMJKGV-GOSISDBHSA-N 333.435 4.465 0 50 EIAA C[C@@H](NC(=O)N[C@H](C)C1CCOCC1)c1cccc2ccccc12 127701732 JBWWQNJLEJCYSV-HUUCEWRRSA-N 326.440 4.015 0 50 EIAA O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(Cl)ccc1F 173167073 MTNOLEFGRXDSAU-UHFFFAOYSA-N 343.745 4.314 0 50 EIAA C[C@H](NC(=O)N(C)Cc1cscn1)c1ccc2ccccc2c1 194265739 FBQWTTMDWBBPHF-ZDUSSCGKSA-N 325.437 4.199 0 50 EIAA Cc1ccc(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)cc1Cl 242047883 VQVMLUZYXASLIP-KGLIPLIRSA-N 339.936 4.198 0 50 EIAA Cc1sc2nc([C@H](C)N[C@@H]3CCC[C@H](C)[C@H]3C)nc(O)c2c1C 253534294 ARUUIBKLJBLXSB-HEQLZXTPSA-N 333.501 4.489 0 50 EIAA Cn1cc(NC(=O)N2CCCCC[C@H]2c2ccco2)c(C2CC2)n1 292082176 PVJDHCHPXBRXAE-HNNXBMFYSA-N 328.416 4.040 0 50 EIAA COC[C@@H]1CCCN1C(=O)c1cccc(-c2ccccc2SC)c1 299778640 QTWJFTJCRLQLGO-KRWDZBQOSA-N 341.476 4.327 0 50 EIAA O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(-c2cnco2)cc1 437401652 ASJRXYHXLFBZRK-WKILWMFISA-N 336.366 4.157 0 50 EIAA O=C(CCC1CCCCC1)N1C[C@H](n2cccn2)Cc2ccccc21 464419219 USDXRZFBWIVDKG-LJQANCHMSA-N 337.467 4.374 0 50 EIAA c1ccc([C@H](CCNC2CSCCSC2)c2ccco2)cc1 820424922 KTBJKGQBNLSQRU-KRWDZBQOSA-N 333.522 4.240 0 50 EIAA Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccnc(-c2ccco2)c1 933979247 SQVLFHNCDQORDF-SFHVURJKSA-N 335.407 4.048 0 50 EIAA C[C@H](N[C@H](c1ncc[nH]1)C1CCCCC1)c1nc(C(C)(C)C)no1 1775985316 OFSMQDCCQCWMTM-JSGCOSHPSA-N 331.464 4.062 0 50 EIAA COc1ccc(-c2cccc(CN3CCC[C@@H](OC)C3)c2)cc1F 2356163013 PEKWXNWIMPRNFP-GOSISDBHSA-N 329.415 4.112 0 50 EIAA Cc1ccc(/C=C2/SC(=O)N(CNc3cccc(C)c3)C2=O)cc1 1192907 IQCFSORDXVQYMH-GZTJUZNOSA-N 338.432 4.409 0 50 EIAA O=C(Nc1nnc(Cc2ccc(F)cc2)s1)Nc1ccccc1F 1251506 SZFPEOXAYNGVAZ-UHFFFAOYSA-N 346.362 4.051 0 50 EIAA CCCCc1ccc(NC(=S)N2CCC(C(=O)OCC)CC2)cc1 2835732 WRNWHPCXJQUWDM-UHFFFAOYSA-N 348.512 4.001 0 50 EIAA O=C(Nc1ccccc1Cl)c1cccc(NC(=O)C(F)(F)F)c1 5679811 BNZAGOCLLDTAQR-UHFFFAOYSA-N 342.704 4.093 0 50 EIAA Cc1ccccc1Cn1ccc(NC(=O)Cc2ccc(Cl)cc2)n1 17071171 FXEYNPQDQYHDEV-UHFFFAOYSA-N 339.826 4.074 0 50 EIAA CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(C)c3C[C@@H]2C[C@H]1O 27638847 OLMBOBKKGZYZNU-BZEYQNPTSA-N 330.512 4.428 0 50 EIAA in-vitro Cc1cc(COc2ccccc2)oc1C(=O)N[C@H](C)c1nccs1 65381188 HQBHZUMFQNERFN-CYBMUJFWSA-N 342.420 4.115 0 50 EIAA Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1N1CCCC1=O 72116017 SCPNJQUICURYEG-UHFFFAOYSA-N 346.789 4.167 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3c3cc(C)on3)c2c1 77356521 GEBUVSWUZFICTH-HXUWFJFHSA-N 349.434 4.379 0 50 EIAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100974692 OYCALXJOVMZJNH-VHSXEESVSA-N 330.598 4.016 0 50 EIAA CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@H]1[C@H]2C 135817168 KPUIORAMYKZOGW-QQRQNBNMSA-N 329.440 4.489 0 50 EIAA Oc1ccc(C2=CCN(Cc3noc(C4CCCCC4)n3)CC2)cc1 178655881 RKWLKFQHBATRKC-UHFFFAOYSA-N 339.439 4.112 0 50 EIAA O=C1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)c3cccc1c32 183803663 YYPGJJIFWMHLGP-SNVBAGLBSA-N 329.758 4.200 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@@H](CCCc2ccccc2)[C@@H]1C(=O)O 221038755 MCODWISZPDFBOP-IAGOWNOFSA-N 347.455 4.110 0 50 EIAA Cc1cc([C@H]2CCCN2C(=O)c2cccc(-c3nccs3)c2)no1 299773099 CRPJBEJSTCKHOX-MRXNPFEDSA-N 339.420 4.084 0 50 EIAA Cc1cc(F)ccc1C1CCN(C(=O)[C@H]2CCC[C@H](C(=N)O)C2)CC1 332400788 VKMBAKZVSFWCEY-HOTGVXAUSA-N 346.446 4.182 0 50 EIAA Cc1csc(CCCC(=O)Nc2n[nH]c(-c3ccc(C)o3)c2C)n1 416253652 SEAXAGUXTDNJHC-UHFFFAOYSA-N 344.440 4.013 0 50 EIAA CCCCC1CCC(C(=O)N(C)Cc2nccn2C(F)F)CC1 498289369 WRXAGDNZSLEACG-UHFFFAOYSA-N 327.419 4.233 0 50 EIAA CCNc1nc(C)c(C(=O)N2CCCCC[C@@H]2c2ccco2)s1 759264640 LSELTJUJFKMEPI-CYBMUJFWSA-N 333.457 4.234 0 50 EIAA COc1ccc([C@@H](C)N(C)Cc2ccc3cccc(OC)c3n2)cc1 952962218 AYUNKOYYHQGTOX-OAHLLOKOSA-N 336.435 4.445 0 50 EIAA Cc1nn(C)c(C)c1CN(Cc1cc(C2CCCCC2)no1)C1CC1 1529146439 YKYQSPQRYIQWTQ-UHFFFAOYSA-N 342.487 4.237 0 50 EIAA CCOc1cc(C)c(CN2CCN(C3CC3)C[C@H]2C)cc1C(C)C 2100541065 UIIBQGSYNQBISH-QGZVFWFLSA-N 330.516 4.186 0 50 EIAA CC1(c2cc(C(=O)N[C@@H]3CC[C@@H](c4cccc(Cl)c4)C3)[nH]n2)CC1 2325840351 YUIKHEAMKJNYSK-UKRRQHHQSA-N 343.858 4.181 0 50 EIAA Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)n1 114723 UDUCWHQCWKNPCA-OAQYLSRUSA-N 343.430 4.199 0 50 EIAA CCOc1ccccc1NC(=O)CSc1nc2ccccc2s1 244504 OJLQBCWWFRDKIJ-UHFFFAOYSA-N 344.461 4.426 0 50 EIAA CCOc1cc(C=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 309228 YSIHJPBCURKXBS-UHFFFAOYSA-N 339.174 4.424 0 50 EIAA O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc(F)cc2)o1 445030 DWHCSALZYNYDPF-SFQUDFHCSA-N 333.318 4.430 0 50 EIAA CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)OCCO2 1054120 WMZWHKYBNHUOOE-UHFFFAOYSA-N 349.386 4.262 0 50 EIAA CCCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2 2492179 IIEHQKITGUDJAO-UHFFFAOYSA-N 332.831 4.396 0 50 EIAA Cc1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)cc1 2805599 PYRKLZCKUPHIBW-UHFFFAOYSA-N 341.461 4.244 0 50 EIAA COc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OC 4488639 BTNKGBFBABJXDT-UHFFFAOYSA-N 344.842 4.171 0 50 EIAA Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 4833700 UGBPZROAJWLIBU-FQEVSTJZSA-N 344.414 4.105 0 50 EIAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C3CCSCC3)C2)cc1C 11753560 GZSABPQTELBHGH-MRXNPFEDSA-N 347.524 4.102 0 50 EIAA COc1cccc(NC(=O)NCc2ccc(Cl)c(Cl)c2)c1 13325360 QSLJXCWXRVUMIA-UHFFFAOYSA-N 325.195 4.324 0 50 EIAA O=C(Nc1ccc(Br)cn1)c1csc2c1CCCC2 16605691 SZQMFEABJOGUKW-UHFFFAOYSA-N 337.242 4.037 0 50 EIAA C[C@@H](O)c1cccc(Nc2nc(N3CCCC3)c3ccccc3n2)c1 41148153 DLKUCXDHTSIPEX-CQSZACIVSA-N 334.423 4.027 0 50 EIAA C[C@H](O)c1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c1 72127342 ISWFXXHDNAKTDF-AWEZNQCLSA-N 344.418 4.290 0 50 EIAA C[C@H](c1nc(Cc2ccccc2)no1)N1CCCc2ccccc2C1 119403205 ZWHWELCRAFOKDV-MRXNPFEDSA-N 333.435 4.170 0 50 EIAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1C 150324615 VZNKPVJIYXDMTG-FMWKFLBASA-N 347.458 4.486 0 50 EIAA Cc1n[nH]c(C)c1CCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 171386608 LGGNEJNGIBHKJZ-HXUWFJFHSA-N 337.467 4.028 0 50 EIAA Cc1oc(-c2ccccc2Cl)nc1CN(C)[C@H](C)c1ccncn1 200588274 ZTUSKSROIMVRRL-GFCCVEGCSA-N 342.830 4.286 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@H](CCCc2ccccc2)[C@@H]1C(=O)O 221038696 MCODWISZPDFBOP-DLBZAZTESA-N 347.455 4.110 0 50 EIAA CC(C)[C@H]1CC[C@H](C(=O)NCc2nc(C(F)(F)F)cs2)CC1 245537402 ZOXWKEQLQDLNOW-XYPYZODXSA-N 334.407 4.241 0 50 EIAA O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1ocnc1C1CC1 288262251 CPWGSFOLZZJWFY-UHFFFAOYSA-N 337.206 4.278 0 50 EIAA Cc1nc([C@H]2CCCN(Cc3cccc4c3oc3ccccc34)C2)n[nH]1 825262184 VUNDSRSKKJMSMX-INIZCTEOSA-N 346.434 4.392 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)Cc1cc(-c2ccncc2)no1 1506400561 ATXHWFGDZWFZME-FQEVSTJZSA-N 336.439 4.495 0 50 EIAA CC[C@@H](NC1CCN(c2ccc(C)c(Cl)c2)CC1)c1ccnn1C 1506410015 CHAOQFLCWWLRTM-GOSISDBHSA-N 346.906 4.092 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C)cc1F 1875298387 ZBMCFEPCZFMVJX-FVQBIDKESA-N 331.431 4.119 0 50 EIAA Cc1cc(C(F)(F)F)c2cc(C(=O)N3CCC4(CC3)CC4)oc2n1 2325725871 ZMXIVVIKLZEBLG-UHFFFAOYSA-N 338.329 4.171 0 50 EIAA O=C(O)[C@@H]1CCC2(CCC2)N(Cc2ncc(-c3ccccc3)s2)C1 2325798289 GFSPWMAAAHVEBT-OAHLLOKOSA-N 342.464 4.029 0 50 EIAA Nc1nc2ccccc2nc1N[C@H]1CCSc2c(F)cccc21 2325826528 DVHLWCRZNUIYHN-LBPRGKRZSA-N 326.400 4.000 0 50 EIAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cc[nH]n2)CC1 2325895300 VJDUJOPXMSOACG-HDJSIYSDSA-N 329.469 4.011 0 50 EIAA Cc1ccccc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 77648 RAOHMMCGBIBDFR-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA O=C(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc2c(c1)OCO2 4512147 ZVBBBVQYBGDNSZ-UHFFFAOYSA-N 335.359 4.293 0 50 EIAA Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 9615210 DMIHNQFVPJDYME-UHFFFAOYSA-N 330.746 4.090 0 50 EIAA Cc1c(C(=O)Nc2nccs2)sc2nc(-c3ccccc3)cn12 11758018 WZDFTPONPPQCRJ-UHFFFAOYSA-N 340.433 4.080 0 50 EIAA CCCC[C@H](CC)c1nnc(NC(=O)c2c(CC)noc2C)s1 13330709 HBAQKGGOBCBQDL-NSHDSACASA-N 336.461 4.333 0 50 EIAA CN(Cc1ccsc1)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 14969337 BEGNAAVRACAHSA-SFHVURJKSA-N 334.529 4.141 0 50 EIAA C[C@@H](Cc1cc(C(=O)NC2(c3ccccc3)CC2)on1)c1ccccc1 14992288 VGLWTWLOXJFXCI-INIZCTEOSA-N 346.430 4.440 0 50 EIAA CCCCC[C@@H](C)NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 17068454 QIRQFUZCEDDFDO-CYBMUJFWSA-N 332.469 4.357 0 50 EIAA Cc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1C 17070938 QJYOCXPATXTXGQ-UHFFFAOYSA-N 337.467 4.090 0 50 EIAA Cc1ccccc1[C@@H](CC(=O)NCc1cccnc1)c1ccccc1 39466327 UBFYVGHXYPPTEQ-NRFANRHFSA-N 330.431 4.228 0 50 EIAA Cc1nc(C)n(CCn2ccnc2-c2ccccc2-c2ccc(C)o2)n1 77300581 APNMCDUCXDEHTF-UHFFFAOYSA-N 347.422 4.027 0 50 EIAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3cccnc3)n[nH]2)cc1 91441311 PNYLPDJMYWWOIN-FQEVSTJZSA-N 346.434 4.148 0 50 EIAA CC(C)N1CCC(NC(=O)N[C@@H](C)c2cc3ccccc3s2)CC1 171543542 FUYYXFOJEMANHG-AWEZNQCLSA-N 345.512 4.134 0 50 EIAA Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cnc3ccccc3n2)o1 173550131 LXPKEYWXTVYTLL-ACJLOTCBSA-N 335.407 4.145 0 50 EIAA C[C@@H](C1CC1)n1cc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cn1 186477495 YNYVXCNREYGTSO-NSHDSACASA-N 342.830 4.170 0 50 EIAA CN(Cc1ccc(OCC[C@@H]2CCCCN2)cc1)Cc1cccs1 299777708 FMRYILYFMIRHNM-SFHVURJKSA-N 344.524 4.291 0 50 EIAA CCn1cc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)c(C)n1 892345148 DBJHSNJQQOSJJG-UHFFFAOYSA-N 335.455 4.023 0 50 EIAA Cc1ccccc1-c1nsc(N2CCC[C@H]2c2nc(C)c(C)[nH]2)n1 895197062 OMCZRHSVCBMNDN-HNNXBMFYSA-N 339.468 4.195 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1 952965797 RXXDNYDFUDLZNG-GOSISDBHSA-N 326.415 4.298 0 50 EIAA C[C@H](NCc1ccc(Cl)cc1F)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952967654 ZWWXMUWSCYDYPX-LUIVIUGWSA-N 337.866 4.289 0 50 EIAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(F)c1C 1875316483 UJBUBWXPYZKSKW-UHFFFAOYSA-N 338.382 4.070 0 50 EIAA COc1cccc(-n2c(-c3ccc(C)cc3)nc3ccccc3c2=O)c1 116844 ZZRHFPZYMXCDEH-UHFFFAOYSA-N 342.398 4.370 0 50 EIAA CCOC(=O)c1c(C)n(-c2ccc(OCC)cc2)c2ccc(O)cc12 151919 YJWFCPJKHSTRIO-UHFFFAOYSA-N 339.391 4.220 0 50 EIAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1 168722 XFCUATJBJJINJY-GFCCVEGCSA-N 333.790 4.226 0 50 EIAA COc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 298352 SNVWGCIUDIAFAO-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 386870 KAPIQUUTKCMMQV-UHFFFAOYSA-N 329.831 4.003 0 50 EIAA CCSc1nnc2c(n1)O[C@H](c1ccccc1)Nc1ccccc1-2 439743 NRUPHKCFNJQUJV-MRXNPFEDSA-N 336.420 4.154 0 50 EIAA Cc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 473567 CLJKLGHLFHDNOF-OUKQBFOZSA-N 346.386 4.492 0 50 EIAA O=C1C[C@@H](c2ccccc2)Cc2nc(N3CCc4ccccc43)ncc21 540142 XWKHRPYKFJBBTB-KRWDZBQOSA-N 341.414 4.084 0 50 EIAA CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)C 1842151 YCRFSKUCDBJWLX-HUUCEWRRSA-N 329.271 4.219 0 50 EIAA in-man CC(C)OCCCNC(=O)c1ccccc1CCc1ccccc1 2880052 ISBWFBPSENAOOL-UHFFFAOYSA-N 325.452 4.017 0 50 EIAA COc1ccc(/C=C/C(=O)NCCSc2ccc(Cl)cc2)cc1 2979845 RXIYXDMAIKSINF-NYYWCZLTSA-N 347.867 4.270 0 50 EIAA COc1ccccc1OCCOc1ccc(C)cc1Br 4701801 NVPMKXYHIRDZFX-UHFFFAOYSA-N 337.213 4.224 0 50 EIAA COc1ccccc1Cc1noc(COc2cc(C)cc(C)c2C)n1 4843365 IJCSTKHVKDQBDD-UHFFFAOYSA-N 338.407 4.173 0 50 EIAA COC(=O)c1sccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 5020977 PAZOBSPOVVBWIJ-RMKNXTFCSA-N 329.421 4.310 0 50 EIAA Cc1cccc(Cc2cnc(NC(=O)COc3ccccc3)s2)c1 5173555 NBZAYQXNPZLGJQ-UHFFFAOYSA-N 338.432 4.060 0 50 EIAA CCn1c(S)nnc1-c1cc(-c2ccccc2)nc2ccccc12 6711015 XBTFCQSPUNFKBO-UHFFFAOYSA-N 332.432 4.469 0 50 EIAA O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 13329686 WFZXBIURYUULCG-UHFFFAOYSA-N 348.377 4.008 0 50 EIAA Cc1cccc(CN2CCN(Cc3cccc4ccccc34)CC2)c1 19361436 GVVKSSKZVJHJNU-UHFFFAOYSA-N 330.475 4.466 0 50 EIAA CCCn1ccnc1CN1CCC(c2[nH]ncc2-c2ccccc2)CC1 67894350 GZMLLKLMKSCIOB-UHFFFAOYSA-N 349.482 4.063 0 50 EIAA CCN(C/C=C/c1ccccc1)C(=O)c1c[nH]nc1-c1cccc(F)c1 92066644 SAYQZXSSGKYOFK-JXMROGBWSA-N 349.409 4.391 0 50 EIAA Cc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ccco3)[nH]n2)o1 97087954 SRDNTXYMDQSSSL-INIZCTEOSA-N 339.395 4.329 0 50 EIAA CC(C)Cn1ccc2cc(NC(=O)c3noc4c3CCCC4)ccc21 170605466 COYOQAQJCWAPFM-UHFFFAOYSA-N 337.423 4.416 0 50 EIAA COc1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)cc1 170643153 WYWQVJVKNKVWNV-UHFFFAOYSA-N 341.798 4.095 0 50 EIAA Cc1nccnc1[C@@H](C)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 188404633 WHRQZWJHGHXKAL-OAHLLOKOSA-N 333.439 4.158 0 50 EIAA Cc1noc(C(C)(C)NC(=O)Nc2cc(Cl)c(C)cc2Cl)n1 253418556 JIVJKEBFDCRWKU-UHFFFAOYSA-N 343.214 4.050 0 50 EIAA CN(C[C@@H]1CCCCO1)C(=O)NC(C)(C)c1cccc2ccccc12 426487710 YKQFNDBJKVMERN-KRWDZBQOSA-N 340.467 4.285 0 50 EIAA CSc1cccc(CN(C)C(=O)N[C@H](c2ccccn2)C(C)C)c1 534676868 ROZAQYPUZRSMAV-SFHVURJKSA-N 343.496 4.342 0 50 EIAA COC(C)(C)[C@@H](C)NC1CCN(c2cccc(C(F)(F)F)c2)CC1 952845222 HHNLKUQYPMGMSG-CYBMUJFWSA-N 344.421 4.077 0 50 EIAA CC(C)[C@H]1CN(C(=O)NCc2cccs2)C[C@@H](c2ccccc2)O1 1857718486 WGVQKUQIRBNJII-MSOLQXFVSA-N 344.480 4.056 0 50 EIAA O=C(c1ccc(Cl)s1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857723873 AGEUMCUFWFKEFE-LSDHHAIUSA-N 347.867 4.394 0 50 EIAA C[C@H](CNC(=O)c1c2c(nc3ccccc13)CCC2)c1cccs1 1875259705 VQYKZAWLWTUMCT-CYBMUJFWSA-N 336.460 4.319 0 50 EIAA COc1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1Cl 1875319214 TXIBXXOJBRSPCO-UHFFFAOYSA-N 339.844 4.273 0 50 EIAA O=C(COc1ccc(F)c(Cl)c1)O[C@H]1CCC[C@@H]1c1cccnc1 2325743010 PZTYMVWQEHPORV-PBHICJAKSA-N 349.789 4.132 0 50 EIAA Cc1cccc(-c2csc(NC(=O)c3cccc(C(=O)O)c3)n2)c1 2325825459 QLFIVSPUVHWPGK-UHFFFAOYSA-N 338.388 4.069 0 50 EIAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 427701 GBKRMVIUPYKTPX-HNNXBMFYSA-N 325.408 4.049 0 50 EIAA CCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)cc2oc1=O 464562 CGRBUXFYHSKGMP-UHFFFAOYSA-N 340.350 4.065 0 50 EIAA biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1F 2872568 SRUFPJPESVVUNW-UHFFFAOYSA-N 344.773 4.373 0 50 EIAA COc1ccc(C)cc1Nc1ncnc2ccc(Br)cc12 3953646 RYEWGJBCPHSBPW-UHFFFAOYSA-N 344.212 4.453 0 50 EIAA CC(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 5049572 ZXDUXYZOAQGEIW-UHFFFAOYSA-N 336.313 4.225 0 50 EIAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(Cc2c(F)cccc2F)C1 19609097 JRHYYUJFSBNERP-CQSZACIVSA-N 333.426 4.266 0 50 EIAA CCCn1cc(-c2ccnc(NCc3cccc(Cl)c3)n2)c(C)n1 48428210 WAHHAMJAMPWWOD-UHFFFAOYSA-N 341.846 4.324 0 50 EIAA O[C@H]1Cc2ccccc2[C@H]1n1ccnc1-c1ccccc1-c1ccco1 72422272 DPAKNORGTMMRBG-PZJWPPBQSA-N 342.398 4.317 0 50 EIAA CC(C)(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72480905 OQKSVFPXSGQWMU-UHFFFAOYSA-N 329.875 4.097 0 50 EIAA C[C@H]1CCCCN1C1CN(c2nc(-c3ccc(F)cc3)cs2)C1 77300149 JPBVFVNBJSJEQJ-ZDUSSCGKSA-N 331.460 4.012 0 50 EIAA c1cnn(CC[C@H]2CCCCN2Cc2cncn2C2CCCCC2)c1 77393432 JEBVBLWPFRDZSZ-GOSISDBHSA-N 341.503 4.030 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3cc(C4CC4)on3)c(C)c2c1 91650742 IYPGAUGDIBJNJB-UHFFFAOYSA-N 337.423 4.231 0 50 EIAA Cc1ccc([C@@H](C)CCN(C)Cc2cc(-c3ccccn3)no2)o1 97532829 SANAOGHYEPKGAR-AWEZNQCLSA-N 325.412 4.264 0 50 EIAA c1cc(CN(Cc2cc(CN3CCCCC3)cs2)C2CC2)ccn1 97757885 ZABAAIIPHVUXAJ-UHFFFAOYSA-N 341.524 4.294 0 50 EIAA O=C(CC[C@H]1CCCCO1)Nc1c(-c2ccccc2)nc2ccccn12 110176901 XAPDQDGEWVFFIM-QGZVFWFLSA-N 349.434 4.289 0 50 EIAA CC(C)n1c([C@H](C)NC(=O)c2cc3occc3[nH]2)nc2ccccc21 132236114 YJKHBIVMVYOUQJ-LBPRGKRZSA-N 336.395 4.183 0 50 EIAA O=C(Cc1ccc(Cl)c(Cl)c1)N(CC1CC1)c1cccnc1 135521258 DVTHHZXMYBHTLI-UHFFFAOYSA-N 335.234 4.374 0 50 EIAA CCOc1ccc2c(c1)[C@@H](NCc1nc(-c3ccccc3)c[nH]1)CCO2 194423399 JTEKPMLVCMGOBN-SFHVURJKSA-N 349.434 4.089 0 50 EIAA COc1ccc(C(=O)C[C@H](C)C(=O)O[C@H](C)c2cccc(F)c2)cc1 225618887 LFFTVEHCTPKEOU-UONOGXRCSA-N 344.382 4.348 0 50 EIAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 248246576 MKXGCYXVFZXYOM-BYNSBNAKSA-N 341.373 4.036 0 50 EIAA CCCN(Cc1cc(F)cc2cccnc12)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252671905 ONZUQFBMUYPLNC-MISYRCLQSA-N 342.458 4.399 0 50 EIAA CC(C)(CO)[C@@H](NCCOc1ccc(Cl)cc1)c1cccs1 253429191 MKCUYRBVBBZSRE-INIZCTEOSA-N 339.888 4.130 0 50 EIAA C[C@H](Oc1ccccc1NC1CCC(C(=O)O)CC1)C(F)(F)F 263427591 RBKQHIGNIIKWLE-UNXYVOJBSA-N 331.334 4.072 0 50 EIAA Cc1c(C(=O)O)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 299779824 RDBDABFPYFBWBY-ZDUSSCGKSA-N 339.420 4.187 0 50 EIAA C[C@@H]1CCCCN1C1CN(C(=O)Nc2cccc(-c3ccco3)c2)C1 299796215 OFHALQJTKUNNEI-OAHLLOKOSA-N 339.439 4.037 0 50 EIAA CC(C)c1[nH]ccc1C(=O)N(C)Cc1ccc(Br)s1 328591292 NYRQVQPIFCOQMG-UHFFFAOYSA-N 341.274 4.234 0 50 EIAA CCC[C@H](NC(=O)c1cccc(-c2ccncc2C)c1)c1nccn1C 426548542 PVMZDMLVZHZRSE-IBGZPJMESA-N 348.450 4.062 0 50 EIAA CC[C@@H](NCc1oc(C(C)C)nc1C)c1ccc2c(c1)OCCO2 428320042 KZZINOUBSCIPKM-OAHLLOKOSA-N 330.428 4.119 0 50 EIAA COc1cc2[nH]c(-c3ccc(Oc4cnccn4)cc3)nc2cc1C 446145081 FCDJBKGHMXFWKN-UHFFFAOYSA-N 332.363 4.129 0 50 EIAA Cc1ccc(NC(=O)C[C@@]2(C)NN=C(c3ccccc3)S2)c(C)c1 670426963 ADTQPHHVTKNGDR-IBGZPJMESA-N 339.464 4.046 0 50 EIAA O=c1cc(C(F)(F)F)ncn1Cc1ccccc1Oc1ccccc1 1473057278 AROBMEBGAUSZRG-UHFFFAOYSA-N 346.308 4.103 0 50 EIAA Cc1ccc(C(=O)N(C)Cc2cccc3cccnc23)n1C(F)F 1506398639 VIXGJKTWPHXVHO-UHFFFAOYSA-N 329.350 4.012 0 50 EIAA COc1ccc(-c2cccc(-c3nccn3C[C@@H](C)OC)c2)cc1F 2356153813 VZQPLWDKPGCSMW-CQSZACIVSA-N 340.398 4.400 0 50 EIAA O=C1C[C@H](c2ccccc2)Cc2nc(NCc3ccccc3)ncc21 106551 PVTUMTXAAAFDDV-QGZVFWFLSA-N 329.403 4.001 0 50 EIAA O=C(Nc1cccc(Cl)c1)Nc1ccc(Br)cn1 444817 QCSNJDJZRVPEKE-UHFFFAOYSA-N 326.581 4.142 0 50 EIAA Cc1cc(C)c(C)c(OCCCCn2cnc3ccccc3c2=O)c1 2863099 IYAGTVNHSHBBGO-UHFFFAOYSA-N 336.435 4.181 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 2960749 LUBUJXJCPGCJKV-UHFFFAOYSA-N 330.815 4.201 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCC2)cc1 10371676 NCFRCYDJQYAYJJ-UHFFFAOYSA-N 344.842 4.197 0 50 EIAA CC(C)(C)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)no1 12381590 OAVQTJQZVPBPEK-UHFFFAOYSA-N 327.211 4.460 0 50 EIAA CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccccc1 13328840 MPYNPWZKCAUTSH-PBHICJAKSA-N 327.424 4.075 0 50 EIAA O=C(Nc1ccc(Cl)cc1)c1nnn(-c2ccccc2)c1C1CC1 16648102 PAEDYCKQCFOJDZ-UHFFFAOYSA-N 338.798 4.050 0 50 EIAA O=c1c2ccccc2nc2sc(-c3cccc4ccccc34)nn12 17067473 IYZOPXSOPVUDGC-UHFFFAOYSA-N 329.384 4.124 0 50 EIAA CN(C)C(=O)c1ccc(-c2cccc(-c3ccn(CC4CC4)n3)c2)cc1 19770690 BEEKJQOFGATFMI-UHFFFAOYSA-N 345.446 4.329 0 50 EIAA OC[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 19942960 ZXNVOFMPUPOZDF-QHCPKHFHSA-N 331.459 4.292 0 50 EIAA Cc1noc2ccc(CN3CCc4[nH]nc(-c5ccccc5)c4C3)cc12 20774699 NSTBSJPAPGXCIQ-UHFFFAOYSA-N 344.418 4.085 0 50 EIAA CCc1ccccc1NC(=O)N1CCC[C@H]1c1c(C)noc1CC 33270638 KLTDGZOKFZVNRV-INIZCTEOSA-N 327.428 4.477 0 50 EIAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N(C)c2ccc(Cl)cn2)cc1 252486688 HOPRFWXAZRGNFH-ZDUSSCGKSA-N 344.842 4.340 0 50 EIAA C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)C[C@H]1CCOC1 366519945 ZLFUJKXXHATKGQ-PMAPCBKXSA-N 349.474 4.018 0 50 EIAA Cc1cc(Cl)c2c(c1)[C@@H](N(Cc1nnc(C)o1)C1CC1)CCCO2 408513645 PAZBHQXUWBAFQV-INIZCTEOSA-N 347.846 4.218 0 50 EIAA CC(C)(C)n1nc(-c2c[nH]c3ccccc23)nc1[C@@H]1CCC[C@H](N)C1 827541542 LYNQJUFBNFMQKC-KGLIPLIRSA-N 337.471 4.166 0 50 EIAA C[C@H]1COCCN1c1ccc(N[C@H](C)c2ccc(C(F)F)nc2)cc1 850456246 CCJMGBHZYGNXAW-UONOGXRCSA-N 347.409 4.417 0 50 EIAA Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)n2ncnc21 925099388 WJCSJCFOMPAYRF-BHYGNILZSA-N 338.480 4.227 0 50 EIAA c1ccc(-c2csc(CN3CCC(C4CCNCC4)CC3)n2)cc1 1235705907 OJFCFHQDQRALLV-UHFFFAOYSA-N 341.524 4.022 0 50 EIAA COc1ccc2c(N3CCCC[C@H]([C@H]4CCOC4)C3)cc(C)nc2c1 1875408471 XKEZSXMGKTVBPF-IRXDYDNUSA-N 340.467 4.195 0 50 EIAA C[C@@H](NC[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1c(C2CC2)cnn1C 2325773941 DXVXPPDDJJENNY-KMFMINBZSA-N 333.520 4.178 0 50 EIAA CC(C)(C)c1cncc(NC(=O)N2CCC=C(c3ccncc3)C2)c1 2325782083 VSQBEXQHVKXKSQ-UHFFFAOYSA-N 336.439 4.095 0 50 EIAA CC(C)(C)C1CCC(OC(=O)[C@H]2CC(=O)O[C@@H]2c2ccccc2)CC1 185907 RTCZJYLOKUHTJO-BXNZUYAZSA-N 344.451 4.439 0 50 EIAA O=C(CSC1CCCCC1)Nc1ccccc1Br 2730275 KEMCGDXFGTUWPU-UHFFFAOYSA-N 328.275 4.454 0 50 EIAA CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2746993 OXESSDTXVCKTCX-CYBMUJFWSA-N 333.815 4.453 0 50 EIAA CCCCC/C=C/C(=O)Nc1ccc(I)cc1 2810268 MLVFEBLUFOPVNO-VOTSOKGWSA-N 343.208 4.366 0 50 EIAA COCCCn1c(-c2cccc(OC)c2)nc(=S)c2c1CCCC2 2875888 BWGZKMHFPHSBBQ-UHFFFAOYSA-N 344.480 4.203 0 50 EIAA COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C 2877669 CUSDFCDJBWAYKJ-UHFFFAOYSA-N 338.190 4.341 0 50 EIAA CCc1ccc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 2953411 LJYHOHKYQOSZPH-UHFFFAOYSA-N 333.815 4.237 0 50 EIAA O=C(CSc1ccccc1)N[C@@H]1CCCN(C2CCCCCC2)C1 12455626 YKJSKIVKRQGNCL-QGZVFWFLSA-N 346.540 4.082 0 50 EIAA CCc1noc(C)c1C(=O)N[C@H](CC)C12CC3CC(CC(C3)C1)C2 13330746 UJAVGXWPUQXFFC-SJFHUFEGSA-N 330.472 4.270 0 50 EIAA CC(C)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 15002467 QZDJTKPNYYZIOS-UHFFFAOYSA-N 340.448 4.272 0 50 EIAA COc1ccc2ccccc2c1CN1CCN(c2ccccc2)CC1 23207962 VCSSOHHHOMNZRT-UHFFFAOYSA-N 332.447 4.171 0 50 EIAA COc1ccc(C(=O)c2sc3nc(C)cc(C(F)F)c3c2N)cc1 44890072 RNCJZSWXIPMNDU-UHFFFAOYSA-N 348.374 4.364 0 50 EIAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1cccnc1)CCO2 67974418 NVTIHOVGVMNBDK-UHFFFAOYSA-N 346.430 4.157 0 50 EIAA CC(C)[C@@H]1C=CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 95379132 PQINCAFJCMPGPX-NRFANRHFSA-N 343.430 4.333 0 50 EIAA Cc1ccc([C@H](O)CSc2nnc3sc4ccccc4n23)cc1 170003014 IHSSMZJLRROSLA-CQSZACIVSA-N 341.461 4.078 0 50 EIAA O=C1/C(=C/c2ccccc2C(F)(F)F)N=C(S)N1c1ccccc1 217039967 YUUURXSBRDTWAW-UVTDQMKNSA-N 348.349 4.379 0 50 EIAA Cc1ccc(C(F)(F)F)cc1C(=O)N(Cc1nccs1)C1CC1 218878186 MEPVVXOJDDIGCJ-UHFFFAOYSA-N 340.370 4.275 0 50 EIAA O=C1[C@H]2[C@@H]3CCCCC3=C3CCCC[C@H]3[C@H]2C(=O)N1c1ccccc1 229930488 DGJJBGKNEXEONI-WTGUMLROSA-N 335.447 4.483 0 50 EIAA CCOc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC 239338970 LMWMFWUTOCUSMV-LALPHHSUSA-N 339.863 4.302 0 50 EIAA O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H]1c1ccccn1 247825831 IXRMHCSRIDKMBI-JZXOWHBKSA-N 326.827 4.202 0 50 EIAA C[C@H](NC(=O)[C@@H](C)N1CCc2sccc2[C@H]1C)c1ccc(F)cc1 248376322 CGICDSNEXCUKLZ-BFHYXJOUSA-N 346.471 4.072 0 50 EIAA COC1(c2nc(-c3cc(F)ccc3F)c(C)s2)CCOCC1 277424557 FTVSRMVXVXFRCZ-UHFFFAOYSA-N 325.380 4.049 0 50 EIAA CN(C[C@H]1CCCCO1)C(=O)NC(C)(C)c1cccc2ccccc12 426487712 YKQFNDBJKVMERN-QGZVFWFLSA-N 340.467 4.285 0 50 EIAA CCOc1c(CN(C)C(=O)N[C@H](C)c2cccs2)cccc1OC 426642906 NXLGNVQLZNXYHQ-CYBMUJFWSA-N 348.468 4.058 0 50 EIAA Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cncc(C(C)C)c1 888238375 NDPWTEBEOMFYHB-ZDUSSCGKSA-N 345.468 4.116 0 50 EIAA CCc1ccnc(NC(=O)c2ccccc2OC(F)(F)C(F)F)c1 2100537486 OGPKFYHUERYBKK-UHFFFAOYSA-N 342.292 4.133 0 50 EIAA Cc1c(NC(=O)c2ccc(-c3ccncc3)s2)cnn1CC(C)C 2325762157 GZCHEVNVWTXOGX-UHFFFAOYSA-N 340.452 4.223 0 50 EIAA O=C(O[C@@H]1CC[C@H]1c1ccc(Cl)cc1)c1n[nH]c2c1CCCC2 2325872003 DEXBUJQDCRWISN-XJKSGUPXSA-N 330.815 4.045 0 50 EIAA Cc1ccc(C(=O)N[C@@H](Nc2ccccc2)C(=O)c2ccccc2)cc1 226896 ILUGIZKYCSYFEB-OAQYLSRUSA-N 344.414 4.046 0 50 EIAA COC(=O)c1c(C)n(Cc2ccco2)c2c1cc(O)c1ccccc12 306225 CODQCXZVQVFKRW-UHFFFAOYSA-N 335.359 4.236 0 50 EIAA COc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1Cl 309601 POLWLJMJFDLIHL-UHFFFAOYSA-N 348.855 4.092 0 50 EIAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 316453 APCNZIHYKUFRNY-HOTGVXAUSA-N 335.359 4.192 0 50 EIAA COc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 470272 BOVQUISCLQUJAQ-UHFFFAOYSA-N 333.387 4.380 0 50 EIAA C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)[C@H]1CCCO1 477176 QKVDQSBBZZFHKS-YCRPNKLZSA-N 346.430 4.199 0 50 EIAA COc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1 2615803 RWRNQUOJQZDDQB-UHFFFAOYSA-N 348.427 4.182 0 50 EIAA CCCN1CCC(NC(=O)c2cccc(Oc3ccccc3)c2)CC1 6726799 LGGRXARCYCMTNT-UHFFFAOYSA-N 338.451 4.083 0 50 EIAA O=C(Nc1ccccc1OCCOc1ccccc1)c1cccs1 9879754 CXSYQHZRKPNAAQ-UHFFFAOYSA-N 339.416 4.458 0 50 EIAA O=C(c1cc(-c2ccco2)on1)N1CCC[C@H]1c1cccc(F)c1 15836212 BUKHNDQCLIJOCW-HNNXBMFYSA-N 326.327 4.051 0 50 EIAA Cc1ccc(-c2n[nH]cc2CNC[C@@H]2OCCc3ccccc32)cc1C 19867235 XIUSHVSKSCLZTK-NRFANRHFSA-N 347.462 4.097 0 50 EIAA Cc1ccsc1CN(CCN(C)C)Cc1cccc2cnccc12 55243913 MEVXMBHCZAECEU-UHFFFAOYSA-N 339.508 4.169 0 50 EIAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 100502332 OQQWIGJNUJLEHO-IUCAKERBSA-N 347.629 4.149 0 50 EIAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc(CC(C)C)n[nH]2)cc1C 170594131 LKCZLWWTIJZAID-IBGZPJMESA-N 325.456 4.202 0 50 EIAA Cc1nc(-c2ccc(CCNc3ccnc(C4CC4)n3)cc2)cs1 170624608 RVJJJRPSSBQGFG-UHFFFAOYSA-N 336.464 4.441 0 50 EIAA O=C(CCCC1CCCC1)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 174816417 BURZWANAQXXXKP-UHFFFAOYSA-N 341.411 4.104 0 50 EIAA CCC(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 200598625 GCTZSYNIXXONKQ-INIZCTEOSA-N 333.435 4.346 0 50 EIAA COc1cc(Cl)ccc1CN1CCC[C@H]1c1noc(C(C)C)n1 225468336 MNXWFOQNMIYREQ-AWEZNQCLSA-N 335.835 4.192 0 50 EIAA CC(C)COc1ccc(CC(=O)Nc2ccc(F)c([C@@H](C)O)c2)cc1 253418255 MRCYENKZVSQLLZ-CQSZACIVSA-N 345.414 4.095 0 50 EIAA CC(C)(C)c1cn2nc(N3CC(C)(C)[C@H]3c3cccnc3)sc2n1 253432352 JTMKOJCUOHSQBN-CQSZACIVSA-N 341.484 4.071 0 50 EIAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@@H]2c2csc(C)n2)o1 253433209 UADZOYVIEAXKTJ-SJKOYZFVSA-N 347.484 4.221 0 50 EIAA O=C(O)C1CCC(NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 263441223 WMPCICRSRFFIQP-UHFFFAOYSA-N 345.389 4.287 0 50 EIAA CCCN(CCC)C(=O)CNc1ccc(-c2ccncc2)c(C)c1 427426039 CIBGYCVSEJUXMD-UHFFFAOYSA-N 325.456 4.118 0 50 EIAA C[C@@H](c1cccs1)N(C)C(=O)NCCCSCc1ccco1 584899007 HRTROGNWNOLMOX-ZDUSSCGKSA-N 338.498 4.367 0 50 EIAA C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(C(F)F)nc1 850456244 CCJMGBHZYGNXAW-KBPBESRZSA-N 347.409 4.417 0 50 EIAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)C1CCCCCC1 1529121003 XVHUPUSBWGQNSK-UHFFFAOYSA-N 341.455 4.313 0 50 EIAA CO[C@H]1C(C)(C)CN(c2cc(Cl)nc(-c3ccoc3)n2)C1(C)C 1875407483 ATFJKCCTQQLYRL-HNNXBMFYSA-N 335.835 4.030 0 50 EIAA C[C@H]1C[C@@H](N[C@H](C)[C@@]2(C)CC2(F)F)C[C@@H](C)N1Cc1ccccc1 1875408373 UMLQXDLNOYOSHC-NZKYLMMGSA-N 336.470 4.451 0 50 EIAA O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)[C@H]1CC[C@@]2(C1)CC2(F)F 2325850827 IUUQDJOBFCKIKB-JKYUHCHBSA-N 343.736 4.119 0 50 EIAA COc1cc2c(C)nc3c(c(C)nn3-c3ccccc3)c2cc1OC 332954 XCXFZGWTAOVGKY-UHFFFAOYSA-N 333.391 4.208 0 50 EIAA Cc1cccc(C)c1NC(=S)NC(=O)c1cccc(OC(C)C)c1 342123 LOQLSDDZZWVDBM-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)CCc1ccccc1 375727 KOTQUBPAOULJST-OAHLLOKOSA-N 331.843 4.165 0 50 EIAA Cc1cccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)c1 454047 VKSFAFPCPKCRHR-UHFFFAOYSA-N 338.354 4.141 0 50 EIAA O=C(Nc1nnc(C(F)(F)F)s1)c1csc2ccccc12 1054425 GNGWRLDZAJZPEB-UHFFFAOYSA-N 329.328 4.024 0 50 EIAA c1ccc2c(NC3CCCC3)nc(Nc3ccc4c(c3)OCO4)nc2c1 2873197 MCJCJHXLJUEWJB-UHFFFAOYSA-N 348.406 4.457 0 50 EIAA CCOc1ccccc1-c1nnc(SCC(=O)c2ccccc2)o1 2888613 KFHLSRHVAGRKKJ-UHFFFAOYSA-N 340.404 4.110 0 50 EIAA COc1cc(NC(=O)CCCc2ccccc2)c(OC)cc1Cl 4670442 BFWYRKAPSIDYFD-UHFFFAOYSA-N 333.815 4.319 0 50 EIAA CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(C)cc3)c12 4749076 UGSRUDWOCJSXFD-UHFFFAOYSA-N 336.387 4.234 0 50 EIAA CCNC(=O)Nc1cccc(C)c1NC(=O)c1ccc(Cl)cc1 6745651 RKOHPXVQZZRIEV-UHFFFAOYSA-N 331.803 4.042 0 50 EIAA CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc4ccccc4c2)N3)C1 6857636 IUINVIYMRNRCMP-SFHVURJKSA-N 349.459 4.318 0 50 EIAA Cc1cc(C)c(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)o1 11666810 OZOKUTKRMHAFKF-SFHVURJKSA-N 326.440 4.230 0 50 EIAA CSc1ccccc1C(=O)N[C@@H]1CCCN(CC2CCCCC2)C1 14961341 ALIXTMNMJWAAER-QGZVFWFLSA-N 346.540 4.183 0 50 EIAA C[C@H](NCc1cccc(OCc2ccccc2)c1)[C@H](O)c1ccccc1 19871863 PYOXLNRAYGCQDI-MBSDFSHPSA-N 347.458 4.477 0 50 EIAA COc1ccc2ccccc2c1CN1CCC(N2CCCCC2)CC1 23280476 VWOCOQGCZRFPTE-UHFFFAOYSA-N 338.495 4.299 0 50 EIAA c1ccc(-c2ncn(CCCCN3CCCC3)c2-c2ccncc2)cc1 65383039 NFJXGOMFABXGEC-UHFFFAOYSA-N 346.478 4.488 0 50 EIAA Cc1cc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)no1 72469103 XLTLCYBNCIPRKQ-UHFFFAOYSA-N 331.803 4.232 0 50 EIAA CN(Cc1cccc2ncccc12)C(=O)CCCOc1ccccc1 77339350 XFPDPAYEMOOXON-UHFFFAOYSA-N 334.419 4.052 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)NCc1c(F)cccc1Cl 92061903 ADDRTXMUVRKRKI-UHFFFAOYSA-N 326.824 4.297 0 50 EIAA Fc1ccc([C@H]2CCN2Cc2ccc(CN3CCCC3)s2)cc1 97814957 FKGQVMVHTWRZLK-LJQANCHMSA-N 330.472 4.430 0 50 EIAA O=C(c1ccc(-n2ccnc2)nc1)N1CCCCC[C@@H]1c1ccccc1 133476103 REKAKLFAYDEBQD-LJQANCHMSA-N 346.434 4.025 0 50 EIAA CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@H]1[C@@H]2C 138986845 ABFSDSQOZYJGJO-MBWIEIAOSA-N 347.455 4.320 0 50 EIAA COc1cccc(N[C@@H](CNC(=O)Nc2ccccc2)C(C)(C)C)c1 170600336 MGEHDCQCAYFKLM-SFHVURJKSA-N 341.455 4.344 0 50 EIAA C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CCc2c(Cl)cccc21 171779308 IWUYAFGXUGFGGG-SGTLLEGYSA-N 344.842 4.436 0 50 EIAA C[C@H](OC(=O)c1ccc2ncsc2c1)c1nc2ccccc2n1C 175917425 OUWOQYLDNCJKES-NSHDSACASA-N 337.404 4.101 0 50 EIAA COc1cc(SC)ccc1NC(=O)c1cc2nc(C)ccc2o1 193247946 KRRRNUJJYNWVDP-UHFFFAOYSA-N 328.393 4.119 0 50 EIAA Fc1ccc([C@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)cc1 215905916 YFOBINHLHRNNMB-LJQANCHMSA-N 334.398 4.015 0 50 EIAA C[C@@H](NC(=O)c1cnc(O)c2ccccc12)c1cc2ccccc2o1 241466157 NVEXWNZPQJFUCP-GFCCVEGCSA-N 332.359 4.178 0 50 EIAA CC(C)(C)c1ccc(CN2CCC[C@H](c3n[nH]cc3C(=N)O)C2)s1 328603126 DWVREGKMUFOSIY-LBPRGKRZSA-N 346.500 4.032 0 50 EIAA O=C(O)Cc1c(-c2ccc(Cl)cc2)oc2cc3c(cc12)OCO3 1772491523 HHCJNKCUGDQIDG-UHFFFAOYSA-N 330.723 4.109 0 50 EIAA c1ccc2c(c1)CCC[C@@H]2NCc1ccc(Oc2cnccn2)cc1 1875264716 WGFYEODTSMTHRM-FQEVSTJZSA-N 331.419 4.436 0 50 EIAA CCOC(=O)c1cc2c(C)cc(-c3ccc4ncn(C)c4c3)cc2[nH]1 1875340938 ABRDHGQDOQJXAA-UHFFFAOYSA-N 333.391 4.207 0 50 EIAA CCOC(=O)c1cc(-c2ccc(OC)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 1875358308 QXQFBLZLMGYZLG-YEWWUXTCSA-N 340.423 4.097 0 50 EIAA CCCc1ccc([C@@H](C)NC[C@H](CO)Cc2ccccc2C)cc1 2325842469 ZOCCDHRDNSDTAQ-UYAOXDASSA-N 325.496 4.449 0 50 EIAA COC(=O)c1cn(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12 85364 LZILIKWASHYYKM-UHFFFAOYSA-N 348.185 4.423 0 50 EIAA CCOc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 101121 CGBWKRPGXJTLLQ-UHFFFAOYSA-N 327.424 4.400 0 50 EIAA Cc1ccc(C2(C)OCC(C)(C)CO2)cc1NC(=O)c1ccccc1 398935 MCKOOQHMBMGIDS-UHFFFAOYSA-N 339.435 4.493 0 50 EIAA Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 441600 CAIRXACPGWJBHH-UHFFFAOYSA-N 342.464 4.067 0 50 EIAA CCc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 442457 GZXCIOJEUQDZCE-UHFFFAOYSA-N 339.313 4.165 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1 451918 PCFCEWSQHINEPG-JTQLQIEISA-N 342.197 4.216 0 50 EIAA O=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccc(F)cc1 732227 PSXBTLMZSMAFHG-UHFFFAOYSA-N 345.171 4.253 0 50 EIAA Cc1c(CCC(=O)O)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 4046789 LTNQBFQMHGWUED-UHFFFAOYSA-N 340.375 4.052 0 50 EIAA biogenic CCOc1ccc(Br)cc1CNCc1ccc(F)cc1 4657567 UNUFRUKYSVXWFW-UHFFFAOYSA-N 338.220 4.277 0 50 EIAA COc1cccc(/C=C/C(=O)Nc2cccc(Br)c2C)c1 6825130 FHQMMWMLHYITMC-MDZDMXLPSA-N 346.224 4.418 0 50 EIAA Cc1sc(-c2ccccc2Cl)nc1C(=O)NCc1ccccn1 11867535 NNNAPPVAASEGPU-UHFFFAOYSA-N 343.839 4.097 0 50 EIAA Cc1c([C@H](C)NCc2ccc(F)c(F)c2)cnn1-c1cccc(F)c1 12478351 IVOBDYVSOPXRJP-LBPRGKRZSA-N 345.368 4.449 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccccc1 12866107 XZPLGBWVDGIKOX-UHFFFAOYSA-N 330.387 4.500 0 50 EIAA Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)c1 20112878 NBIIIMSYAPCEOH-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA C[C@@H]1CN(CCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 20167643 QGNHCJSZAPKCOJ-QZTJIDSGSA-N 325.452 4.232 0 50 EIAA CCOP(=O)(C[C@@H](CC)P(=O)(OCC)OCC)OCC 22016801 YJOBFGNCVKJFQK-GFCCVEGCSA-N 330.298 4.297 0 50 EIAA COc1cc(/C=C/C(=O)O)ccc1OCCCSc1ccccc1 25560887 QRAMQSQYSGXIQB-PKNBQFBNSA-N 344.432 4.354 0 50 EIAA C[C@@H](CCCC(C)(C)O)NC1CCN(c2ccccc2Cl)CC1 32541403 AZVWGGBMDDNTPV-HNNXBMFYSA-N 338.923 4.228 0 50 EIAA CCc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 39769784 UAPMFWFLFBRFLV-YADHBBJMSA-N 326.528 4.478 0 50 EIAA CNc1nc(C)cc(NCc2cccnc2Oc2c(C)cccc2C)n1 67605875 DQDNNTGZQCQDAU-UHFFFAOYSA-N 349.438 4.243 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 71735520 BEYNGNQFBSAOIZ-UHFFFAOYSA-N 338.455 4.055 0 50 EIAA O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1ccc(F)cc1 77386280 DBDPUJAGMPBPDA-HNNXBMFYSA-N 335.325 4.404 0 50 EIAA COc1ccc(CO[C@H]2[C@@H](O)CCC/C=C3/CC[C@H]2C3(C)C)cc1 104308451 DAIJQUZAFFORFS-CCDUEHOTSA-N 330.468 4.488 0 50 EIAA Cc1ccccc1C1CC(Nc2ccc(N3C(=O)CCCC3=O)cc2)C1 126400005 OQKSAMQGZSQMSR-UHFFFAOYSA-N 348.446 4.397 0 50 EIAA Clc1ccccc1-c1noc(-c2cnc([C@H]3CCCO3)s2)n1 132067007 ICDFNXZKCQKJKM-LLVKDONJSA-N 333.800 4.365 0 50 EIAA CO[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1ccccc1 193512572 XJHDTARVZRIJRH-GOSISDBHSA-N 338.432 4.064 0 50 EIAA O=C(c1ccc(-c2ccccc2F)cc1)N1CCOC2(CCCC2)C1 218908273 GDONRGIDZOWLEE-UHFFFAOYSA-N 339.410 4.278 0 50 EIAA CC(C)c1ncsc1C(=O)N(Cc1cccnc1)Cc1ccco1 459934711 SCCPIGIKDMJPTD-UHFFFAOYSA-N 341.436 4.097 0 50 EIAA Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3ccc(O)cc3)c[nH]c2c1 726191861 VWRDGXJUNFCIKE-HXUWFJFHSA-N 334.419 4.088 0 50 EIAA c1csc(-c2nc(CNCc3ccc([C@H]4CCCO4)s3)no2)c1 952873517 XZSNYCFOLGQZQA-GFCCVEGCSA-N 347.465 4.001 0 50 EIAA O=C(NCCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1F 1253071190 LJVYUXZKJNKULR-UHFFFAOYSA-N 344.773 4.107 0 50 EIAA CCOCc1ccccc1CNCc1ccc(Oc2cnccn2)cc1 1461018569 IDCZEEICGMTFIT-UHFFFAOYSA-N 349.434 4.095 0 50 EIAA COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc3ncccc3c2)cc1 1506429198 WEWQMUJYKNRFKI-OAHLLOKOSA-N 349.434 4.146 0 50 EIAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 1857727105 KYCRCSMEEVBCRN-SFYZZRBRSA-N 335.451 4.036 0 50 EIAA C[C@@H](NCc1conc1C(C)(C)C)c1ccc(-c2cncnc2)cc1 2325773021 KKLGTRZBTUOPLU-CQSZACIVSA-N 336.439 4.280 0 50 EIAA COC1(c2ccccc2)CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1 2356166692 JKKCHGFDGIRAJB-UHFFFAOYSA-N 340.467 4.021 0 50 EIAA O=Cc1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 37155 GCYALQIJKANHDI-UHFFFAOYSA-N 341.208 4.173 0 50 EIAA CC(C)(C)c1cc(C(F)(F)F)c2c(=O)n(-c3ccccc3)[nH]c2n1 53436 NEPOQKKNCNVYNR-UHFFFAOYSA-N 335.329 4.030 0 50 EIAA CCc1cccc(CC)c1NC(=S)Nc1ccc2c(c1)OCO2 109241 WULKXQPBXSPGCZ-UHFFFAOYSA-N 328.437 4.349 0 50 EIAA O=C(Nc1ccc(F)cc1)c1cccnc1Nc1cccc(F)c1 109634 KVQZJEGYUSTNFE-UHFFFAOYSA-N 325.318 4.356 0 50 EIAA COc1cccc(C(=O)NC2c3ccccc3Oc3ccccc32)c1 285433 BRGUKJWHIGEUQF-UHFFFAOYSA-N 331.371 4.320 0 50 EIAA COc1cc(OC)c(NC(=O)Nc2cc(F)ccc2F)cc1Cl 398660 HSIKBTQKQSGEEO-UHFFFAOYSA-N 342.729 4.279 0 50 EIAA CC(=O)Nc1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1 618181 OOPHAFPIHVHJAJ-UHFFFAOYSA-N 338.190 4.309 0 50 EIAA O=C(Cc1ccccc1)NN1c2ccccc2C[C@H]1c1ccccc1 1287965 YCKLMGRILCWRKN-NRFANRHFSA-N 328.415 4.064 0 50 EIAA biogenic CCc1c(C(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)csc1C 2754999 DNHFKKTWSCHJFI-OAHLLOKOSA-N 342.508 4.278 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1 2951333 QOXBTCGLTFWJCL-GOSISDBHSA-N 325.408 4.386 0 50 EIAA COc1ccccc1OCCCOc1cccc(Br)c1 2983568 KFPHGIPCXBEPQY-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 3554079 IOUKAASEODZPSG-FQEVSTJZSA-N 347.370 4.257 0 50 EIAA CCOC(=O)c1cn(-c2cccc(Cl)c2C)c(C)c1C(=O)OCC 4542468 WLOAQEHUDFRCHF-UHFFFAOYSA-N 349.814 4.101 0 50 EIAA Fc1ccccc1COc1ccc(Cl)cc1CNC[C@@H]1CCCO1 4657497 KHYABVADLWBZLD-KRWDZBQOSA-N 349.833 4.327 0 50 EIAA CCOc1ccc(CN2CCC(N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 4745734 KGURGDPFABWGJD-QZTJIDSGSA-N 330.516 4.028 0 50 EIAA Cc1ccc([C@H]2C[C@@H]2c2nnc(S)n2-c2ccc(F)cc2)cc1 6533841 VUDWBEWIOGNWKC-CVEARBPZSA-N 325.412 4.275 0 50 EIAA Clc1ccc(OCCCc2n[nH]c(-c3ccccn3)n2)c(Cl)c1 7986357 DGSWTONOUHAADR-UHFFFAOYSA-N 349.221 4.185 0 50 EIAA COCc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)o1 12745584 SPLHQQDIEZKLDU-QGZVFWFLSA-N 341.451 4.219 0 50 EIAA CCOc1ccc(NC(=O)Nc2ccc(CN3CCCC3)cc2)cc1 13325214 SZURKOSIFWMHGW-UHFFFAOYSA-N 339.439 4.325 0 50 EIAA Cc1ccc(C)c(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c1 16649929 VGARLWVWHMFAJT-UHFFFAOYSA-N 332.407 4.014 0 50 EIAA Cc1ccccc1C(=O)N(Cc1nc(-c2cccs2)no1)C(C)C 16650268 BXOKOSLRSAXIBG-UHFFFAOYSA-N 341.436 4.157 0 50 EIAA CCC1(CC)C[C@H]1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 67691499 WBDFUQYQUKVSCH-INIZCTEOSA-N 342.414 4.192 0 50 EIAA CCc1ccc(-c2ccc(C(=O)N(C)c3ncccc3OC)o2)cc1 121298648 HJVYVLZEUOXFPT-UHFFFAOYSA-N 336.391 4.189 0 50 EIAA Cc1nc(-c2cccc(NC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)c2)no1 158465560 KXJQEQFYCSPFKY-FZKQIMNGSA-N 348.406 4.270 0 50 EIAA CCn1ccc2cc(C(=O)N3CC[C@H]3c3cccc(OC)c3)ccc21 216108626 BKXLFCMOQYNUCS-FQEVSTJZSA-N 334.419 4.257 0 50 EIAA Cc1cc2c(N[C@H](C)[C@H](c3ccccc3)N(C)C)ncnc2s1 225533032 GIMJXPDIWVJETJ-CZUORRHYSA-N 326.469 4.103 0 50 EIAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)N(CCC(F)(F)F)C1CCCCC1 237835122 NRGXDSQLIJNZDS-GOOCMWNKSA-N 346.437 4.021 0 50 EIAA CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@H]1C)[C@H]3[C@@H]2C 239378361 OPDBPJWZYLLHKS-FOLKFRGRSA-N 344.451 4.141 0 50 EIAA biogenic Cc1ccc(-c2cnc(NC(=O)NCCn3cccc3)s2)c(C)c1 242273749 YFPFHTHFSPRYQX-UHFFFAOYSA-N 340.452 4.050 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 253621752 UITNBJRZYAEYLY-UQPMZEOESA-N 344.495 4.386 0 50 EIAA C[C@H](NC1CCC(C(=O)O)CC1)c1ccc(Oc2cccnc2)cc1 263388144 DMSNYKDZZNNNKB-OOHWJJMZSA-N 340.423 4.168 0 50 EIAA CC[C@@H](N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)O 263578970 UAMBJMPODORKPI-TVQRCGJNSA-N 338.860 4.286 0 50 EIAA Cc1coc(C)c1C(=O)NCC1(c2ccccc2Cl)CCOCC1 284058692 RBUOTKYMZRPMMZ-UHFFFAOYSA-N 347.842 4.028 0 50 EIAA Cc1ccsc1-c1cccc(C(=O)N(C)C[C@@H]2CCCCO2)c1 299765566 BTTHKDSFGKAIAN-KRWDZBQOSA-N 329.465 4.365 0 50 EIAA Cc1ccc2oc(N3CCC(c4nc5ccccc5[nH]4)CC3)nc2c1 329718515 YXCLVEGNDZCKRE-UHFFFAOYSA-N 332.407 4.397 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(C)n1 426361234 RZKKWFNSCIQOLD-UHFFFAOYSA-N 330.378 4.237 0 50 EIAA CCN(Cc1ccccc1Cl)C(=O)CC(=O)Nc1cccc(C)c1 1506414167 CVEFWZBOEFQWLK-UHFFFAOYSA-N 344.842 4.026 0 50 EIAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccc2cc[nH]c12 1875348928 HIRBARWQKBFZSV-GFCCVEGCSA-N 348.381 4.188 0 50 EIAA O=C([C@H]1Cc2ccncc2C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 2325707211 XYSLCRRAXBUOFY-LAUBAEHRSA-N 345.446 4.032 0 50 EIAA O=C(NC12CC3C[C@H]1[C@H]2C3)c1csc(-c2ccc(F)c(Cl)c2)n1 2325829018 YHGJCSXPWZNEPP-PVOAMCIXSA-N 348.830 4.131 0 50 EIAA CN(C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 441867 IKYFGLFSXBKQTO-UHFFFAOYSA-N 326.440 4.068 0 50 EIAA O=C1N/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1c1ccccc1 459889 ZESLMANQRHLDBO-HMMYKYKNSA-N 340.382 4.451 0 50 EIAA COc1cccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2OC)c1 610109 FTPFNNWXSZJBMS-LLVKDONJSA-N 334.803 4.240 0 50 EIAA O=C(CSc1nnc(-c2cccnc2)o1)c1ccc2ccccc2c1 611274 VEUWXTUACAMHLF-UHFFFAOYSA-N 347.399 4.260 0 50 EIAA O=C1C[C@@H](c2cccc3ccccc23)c2c(c3ccccc3oc2=O)O1 1426885 FUJLTSIRIILQHI-KRWDZBQOSA-N 342.350 4.387 0 50 EIAA Cc1nc2c(c(NC(=O)c3ccc(Cl)cc3)nn2C)c(C)c1Cl 1430833 MULOYWAAXLXMEF-UHFFFAOYSA-N 349.221 4.144 0 50 EIAA Cc1ccc(CSCC(=O)NCCSc2ccc(C)cc2)cc1 2994773 CCDNOAVMNGICGA-UHFFFAOYSA-N 345.533 4.445 0 50 EIAA Cc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 4056281 WIKFDDPGZWDHAB-UHFFFAOYSA-N 343.477 4.347 0 50 EIAA Cc1cc(=O)oc2cc(NC(=O)c3ccc(F)cc3Cl)ccc12 6699910 GNTMGXHZHCKZPQ-UHFFFAOYSA-N 331.730 4.146 0 50 EIAA Cn1ncc2c(C(F)F)cc(-c3ccc(Br)cc3)nc21 20603033 DAXQVWPJGPTSEZ-UHFFFAOYSA-N 338.155 4.335 0 50 EIAA Cc1cc(OCCCCN2CCN(C)CC2)c(C(C)C)cc1Cl 20639311 NWRQYILLRLLKLD-UHFFFAOYSA-N 338.923 4.178 0 50 EIAA Cc1cccc(OC2CCN(CCc3nc(C)sc3C)CC2)c1 20911459 ADBWPJZGYMGPCX-UHFFFAOYSA-N 330.497 4.154 0 50 EIAA COc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 65363649 ICKUXSKLEHQDKE-UHFFFAOYSA-N 349.394 4.181 0 50 EIAA C[C@@H](NCc1csc2ccc(Cl)cc12)C(=O)NC1CCCC1 65397683 TUUQCFRCJZZKCN-LLVKDONJSA-N 336.888 4.092 0 50 EIAA Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@H](C)c1nccs1 65417343 KTKKOQOSLBHSBS-CQSZACIVSA-N 331.485 4.206 0 50 EIAA COc1cccc(C(=O)Nc2ccc(C)cc2-c2ccccc2CO)c1 67642043 QIHZOZSBVIQQNI-UHFFFAOYSA-N 347.414 4.415 0 50 EIAA Cc1ccc([C@@H](SCCN2CCOCC2)c2ccccc2)cc1 96026422 UICYDURDBQMCHN-FQEVSTJZSA-N 327.493 4.150 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 170631271 SWZSWEKECFPGLF-UEXGIBASSA-N 348.531 4.360 0 50 EIAA C[C@H](N[C@H](C)c1cccc(O)c1)c1nnc(-c2cccc(F)c2)s1 241371276 MMBXREIUGNSRPO-NEPJUHHUSA-N 343.427 4.462 0 50 EIAA COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 252679716 QFAWQQNGFBZYOO-ZCNNSNEGSA-N 336.435 4.098 0 50 EIAA C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CC[C@@](O)(CN4CC4)[C@@]3(C)CC[C@H]12 253498637 YAZNTOPQJPATQT-CUCLYRJJSA-N 331.544 4.466 0 50 EIAA biogenic O=C(O)C1CCC(N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 263402649 IPJPKVXJAAFLQU-DQPZFDDXSA-N 329.440 4.056 0 50 EIAA Cc1ccnc(C)c1NS(=O)(=O)c1cc(C(C)C)ccc1Cl 331235189 DWURHSGAIYWHBT-UHFFFAOYSA-N 338.860 4.276 0 50 EIAA C[C@@H](C(=O)Nc1nc2cccnc2n1C)c1c(Cl)cccc1Cl 673078208 ZPQRBHGJNCBCDE-SECBINFHSA-N 349.221 4.017 0 50 EIAA Cn1cc(C(=O)Nc2cccc(Oc3ccccc3)n2)c(C2CCC2)n1 889469139 ACBGZYIEQRMOFQ-UHFFFAOYSA-N 348.406 4.127 0 50 EIAA O=C(NCc1cc2ccccc2s1)N[C@H](c1ccncc1)C1CC1 892326197 ZGSHHIJZJNKIPO-SFHVURJKSA-N 337.448 4.247 0 50 EIAA Cc1ccccc1-c1nsc(N2CCCC[C@@H]2c2ncccn2)n1 895975615 CMGPZHDMDMVMOY-OAHLLOKOSA-N 337.452 4.035 0 50 EIAA Clc1ccc2nc(N[C@H]3COC[C@H]3Cc3ccncc3)sc2c1 1704343227 VETSOGFLIDPQDX-DOMZBBRYSA-N 345.855 4.014 0 50 EIAA CCN1CCc2c(cccc2NC(=O)Cc2c[nH]c3cccc(C)c23)C1 2325744208 NXIAPCDEHFEZPY-UHFFFAOYSA-N 347.462 4.036 0 50 EIAA c1cc(-c2ccn3nccc3c2)c2ccn(CCN3CCCC3)c2c1 2325839828 GMLWSUXRVTUTGO-UHFFFAOYSA-N 330.435 4.052 0 50 EIAA Fc1ccccc1-c1csc(N2CC(F)(c3cccnc3)C2)n1 2325854508 HMWIALBLKKGIMM-UHFFFAOYSA-N 329.375 4.029 0 50 EIAA COc1cncc(CCC(=O)O[C@H]2C[C@@H](c3ccccc3Cl)C2)c1 2325855525 DVZUBDVOOHNCSP-GASCZTMLSA-N 345.826 4.166 0 50 EIAA Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C 101828 FSPSKLYZFDEPDK-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA O=C(O)c1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 127945 SLKKGDVEEULMJB-UHFFFAOYSA-N 326.377 4.061 0 50 EIAA O=C(NCc1ccccn1)[C@@H](Sc1ccccc1)c1ccccc1 337650 NHVGRAJLWVINPR-IBGZPJMESA-N 334.444 4.231 0 50 EIAA CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 357593 XLCXHISTEVCQRW-NTEUORMPSA-N 330.387 4.450 0 50 EIAA Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c(C)c1 368149 LQHLWORFDKTADP-UHFFFAOYSA-N 327.767 4.316 0 50 EIAA CCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 459050 GJYAXPZFLHGBSL-DHZHZOJOSA-N 346.224 4.500 0 50 EIAA CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)c1ccccc1 1200848 LGNIQOWUVVMHMV-CYBMUJFWSA-N 343.448 4.156 0 50 EIAA Ic1ccc(-c2cnc(-c3ccncc3)o2)cc1 1514333 FTUYBNGASDYTNY-UHFFFAOYSA-N 348.143 4.008 0 50 EIAA COc1ccccc1C(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C 2763617 KWYGDPQEIJMEQK-UHFFFAOYSA-N 349.434 4.118 0 50 EIAA COc1cc(C=O)ccc1OCCOc1cc(C(C)C)ccc1C 2985903 HMBIRPOBUPFGBW-UHFFFAOYSA-N 328.408 4.397 0 50 EIAA COc1ccc(OC)c(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)c1 3756479 WYQWKEJKMPVOHO-UHFFFAOYSA-N 337.375 4.234 0 50 EIAA Cc1ccc(C)c(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c1 4696861 BFIVUNIEZKYGGG-HNNXBMFYSA-N 327.811 4.079 0 50 EIAA Cc1ccc(C)c(NC(=O)C[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c1 4828032 CGIKGPLGAGWVRV-OAHLLOKOSA-N 345.826 4.229 0 50 EIAA CC1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 10460650 OLSQCYLKGPHVAT-UHFFFAOYSA-N 337.423 4.203 0 50 EIAA C[C@]12CC3(CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O)OCCO3 118940383 QDULKIPGHAIXOR-HSXTZPDUSA-N 334.500 4.133 0 50 EIAA CC(C)n1nccc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 129902095 QGKKWWJLHPWWSH-INIZCTEOSA-N 339.439 4.030 0 50 EIAA Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 173783090 ZLMCOBFXFKNILP-CYBMUJFWSA-N 338.329 4.065 0 50 EIAA CSc1ccc(CC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cc1 221444848 AOUSRPZTVNKBAB-UHFFFAOYSA-N 342.439 4.230 0 50 EIAA COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)o1 241171027 KDRKSZNCOAVDBT-KSZLIROESA-N 343.398 4.032 0 50 EIAA COc1cccc([C@@H]2CCN2C(=O)Nc2c(C)nn(C(C)C)c2C)c1 426571507 NFHRMRBWSGCNSZ-KRWDZBQOSA-N 342.443 4.068 0 50 EIAA C[C@H](c1ccc(C(=O)O)o1)N1CCC(c2c[nH]c3ccccc23)CC1 652383939 KIFNSLBLZISQJW-CYBMUJFWSA-N 338.407 4.400 0 50 EIAA Cc1cnc(CCNC(=O)Nc2ccccc2C(C)(F)F)c(C)c1 654105446 FPDIMSAPNBCHJW-UHFFFAOYSA-N 333.382 4.174 0 50 EIAA CCCCN(Cc1ccsc1)C(=O)c1cc(C)nc2onc(C)c12 952968167 BGNCPNWTCUWQPK-UHFFFAOYSA-N 343.452 4.344 0 50 EIAA Cc1nc(NC(=O)c2cc(C(C)C)ccc2F)nn1-c1ccccc1 1875331326 FDPMADVAZICEMO-UHFFFAOYSA-N 338.386 4.091 0 50 EIAA CCOC(=O)[C@H](CC)Sc1ncnc2sc3c(c12)CCCC3 84832 HMFWSHCUHWSKIL-NSHDSACASA-N 336.482 4.004 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)o1 256004 ZLTAYUYNFUBJDX-UHFFFAOYSA-N 334.091 4.313 0 50 EIAA COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 310970 UUFIOPQHDRCUCM-SFHVURJKSA-N 331.371 4.101 0 50 EIAA CC(C)(C)C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2967772 JVFQIYNBJNYETC-UHFFFAOYSA-N 336.387 4.454 0 50 EIAA CCCCC[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O 4655427 SYAWGTIVOGUZMM-KZTFMOQPSA-N 338.488 4.382 0 50 EIAA endogenous,in-man Nc1ccccc1SCC(=O)Nc1c(Cl)cccc1Cl 4843110 VSDMZYSNJSMWEL-UHFFFAOYSA-N 327.236 4.306 0 50 EIAA CC1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 4854670 HCFXEEFZMGPVPC-UHFFFAOYSA-N 334.769 4.029 0 50 EIAA CCCC[C@H](CC)C(=O)NCCCCNC(=O)[C@@H](CC)CCCC 4905230 QRZVUHFUVORLGW-ROUUACIJSA-N 340.552 4.432 0 50 EIAA Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccc(O)cc3)c12 4934809 APNRBSTZJDYEKO-UHFFFAOYSA-N 334.379 4.139 0 50 EIAA CCOc1ccc(-c2c[nH]c([C@H]3CCCN(CC)C3)n2)cc1OCC 67605347 FDEDQBRMIFVPHQ-INIZCTEOSA-N 343.471 4.073 0 50 EIAA Cc1cc(F)ccc1-c1c(-c2ccccc2)ncn1Cc1ncc[nH]1 67740803 ZLGCJRLVMIWJQM-UHFFFAOYSA-N 332.382 4.436 0 50 EIAA CC(C)n1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cn1 77458864 AEBMVZCMXJELNZ-GOSISDBHSA-N 329.419 4.361 0 50 EIAA Cc1noc(C)c1CN(C)C(=O)N[C@H]1c2ccccc2CCC1(C)C 127404008 WSBPIGTWKXMVTE-SFHVURJKSA-N 341.455 4.147 0 50 EIAA C[C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 229773414 WDVCWHUDBXTGIM-FRIZHTMISA-N 341.430 4.257 0 50 EIAA C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 249047118 HCKPPZMSOFBTOZ-ZIBATOQPSA-N 345.270 4.263 0 50 EIAA CNC(=O)c1cc(-c2c(F)cccc2F)nc2ccc(Cl)cc12 252500065 SMRFBSYIUPPQGB-UHFFFAOYSA-N 332.737 4.193 0 50 EIAA Cc1nc2ccccc2nc1N[C@@H](C)c1cccc(N2CCCC2=O)c1 301133065 XUAWASQBBSUDLQ-AWEZNQCLSA-N 346.434 4.238 0 50 EIAA CO[C@@H](C)c1nc(C)c(C(=O)N[C@@]2(C)CCCc3ccccc32)s1 331887787 DGLPJERZYRFIBB-DJJJIMSYSA-N 344.480 4.140 0 50 EIAA C[C@H](Cc1cccs1)C(=O)N1CCC(OCc2ccccc2)CC1 408512973 OLTHDJOEFIFKKY-MRXNPFEDSA-N 343.492 4.135 0 50 EIAA CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1C 51893 GBOGAIPADMNUAG-UHFFFAOYSA-N 342.439 4.111 0 50 EIAA Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccccc2)Nc2ncnn21 205890 OTQCYDBKAMGLKK-HUUCEWRRSA-N 328.778 4.217 0 50 EIAA COC(=O)c1sccc1NC(=O)Nc1ccccc1C(F)(F)F 609569 CREFEOMCEVXQHJ-UHFFFAOYSA-N 344.314 4.198 0 50 EIAA CCCC[C@]1(c2ccccc2)NC(=S)N(c2ccc(C)cc2)N1 2310749 XAIDHRILHSJWHP-IBGZPJMESA-N 325.481 4.237 0 50 EIAA CC(C)(C)c1cc(/C=C2\SC(=N)NC2=O)cc(C(C)(C)C)c1O 3783481 AKTXOQVMWSFEBQ-LCYFTJDESA-N 332.469 4.126 0 50 EIAA in-man Cc1cc(OCC(=O)Nc2nnc(C(C)C)s2)ccc1C(C)C 9331375 LRRXFBJNZCVRGE-UHFFFAOYSA-N 333.457 4.111 0 50 EIAA O=C(Nc1ccccc1C(F)(F)F)C1C[C@@H]2CCC[C@H](C1)C2=O 15822339 HGKJAMMTBZOTFX-FOSCPWQOSA-N 325.330 4.039 0 50 EIAA Oc1ccc(-c2ccc(O)c(Br)c2)cc1Br 44069505 RJGXLSPAKXWJGN-UHFFFAOYSA-N 344.002 4.290 0 50 EIAA in-vitro CCc1cc([C@H](C)NC(=O)CSCc2ccccc2Cl)on1 55413714 HVNZIWNSVIJCPR-NSHDSACASA-N 338.860 4.001 0 50 EIAA COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 72437824 SCUXXQIMYSYDJR-UHFFFAOYSA-N 332.403 4.242 0 50 EIAA C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 95362793 PVDGUFWEKYISKN-RBBKRZOGSA-N 346.474 4.066 0 50 EIAA CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 95644669 UVZBUUTTYHTDRR-QLMKOMRNSA-N 336.472 4.158 0 50 EIAA in-vitro COc1cccc2[nH]cc(CCN[C@@H](CC(C)C)c3ccccn3)c12 181332527 WZTYRRQOMAPCGT-IBGZPJMESA-N 337.467 4.491 0 50 EIAA Fc1ccccc1-c1ccc(CN2CC[C@@H](N3CCCCC3)C2)o1 214984593 XYAJBLOLPKPULR-MRXNPFEDSA-N 328.431 4.146 0 50 EIAA CCSc1cccc(CNc2ccc(C(=O)N(C)C)cc2OC)c1 225642887 GMCDAJMMLMKUNB-UHFFFAOYSA-N 344.480 4.121 0 50 EIAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@@](C)(O)C[C@@]12C 257357095 LZCICCXBBYHFCF-MXLVAXEKSA-N 346.511 4.164 0 50 EIAA CCc1c(C(=O)N2C[C@H](C(C)C)c3ccccc32)[nH]c(C)c1C(=N)O 331667410 YGLVODWTZRUZNM-OAHLLOKOSA-N 339.439 4.169 0 50 EIAA CC(F)(F)c1cccc(NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)c1 666826987 IJKBNCHWSMZDHS-GVDBMIGSSA-N 346.352 4.397 0 50 EIAA O=C(Nc1cccc2cccnc12)c1cc2ccccc2c(=O)s1 828147339 RSLICWUXZSOTIY-UHFFFAOYSA-N 332.384 4.062 0 50 EIAA O=C(Nc1cc2c(cn1)CCCC2)N1CCC[C@H]1c1ccc(O)cc1 931510007 CKJCCRBHYJCVSK-SFHVURJKSA-N 337.423 4.035 0 50 EIAA c1ccc2c(c1)CCCN2CCNCc1ccc([C@H]2CCCCO2)o1 952872476 QAIBKXPUZAOQCB-HXUWFJFHSA-N 340.467 4.064 0 50 EIAA O=C(O)c1c(N2CCC3(CCCC3)C2)noc1-c1ccc(Cl)cc1 1704324648 CHOJSLIWDFQAPL-UHFFFAOYSA-N 346.814 4.464 0 50 EIAA O=C(CCOC1CCOCC1)N1c2ccccc2C=Cc2ccccc21 1775999980 LNVJHUABMIYFHN-UHFFFAOYSA-N 349.430 4.421 0 50 EIAA C[C@@H](CCn1cccn1)n1ccnc1-c1ccc2cccc(F)c2n1 1857687774 DLMWYMIRQZZVPI-AWEZNQCLSA-N 335.386 4.085 0 50 EIAA C[C@@H](CNC(=O)c1c2c(nc3ccccc13)CCC2)c1cccs1 1875259706 VQYKZAWLWTUMCT-ZDUSSCGKSA-N 336.460 4.319 0 50 EIAA CC(C)Oc1ccc(NC(=O)c2ccccc2Br)cc1 144397 FXJVFVHNGAPVCO-UHFFFAOYSA-N 334.213 4.489 0 50 EIAA Cn1nc(-c2ccccc2)c(CO)c1Sc1ccccc1Cl 169119 KSQZONIRIYXZDA-UHFFFAOYSA-N 330.840 4.384 0 50 EIAA COc1ccc(CN[C@@H]2CC(C)(C)OC[C@H]2Cc2ccccc2)cc1 197362 YXAXNNGFZSMSET-TZIWHRDSSA-N 339.479 4.211 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(O)cc1 2561792 FMMBQEVKGLXUBS-UHFFFAOYSA-N 342.782 4.286 0 50 EIAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2ccccc2c1 2635876 ITMQPNSBFWTNOC-UHFFFAOYSA-N 333.416 4.447 0 50 EIAA CCCNC(=S)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC 2857354 KMWRWRADZLSBPW-UHFFFAOYSA-N 348.493 4.207 0 50 EIAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 4834410 ORWSNLDVZRVOAX-VFZGTOFNSA-N 338.190 4.160 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)c1csc2c1CCCCC2 5070468 DRXWSZZXLAXBAT-HZPDHXFCSA-N 348.556 4.400 0 50 EIAA CCOC(=O)c1ccc(Nc2cc(C)nc(-c3ccccc3O)n2)cc1 13121822 OQFBKYDAAJGQJA-UHFFFAOYSA-N 349.390 4.078 0 50 EIAA CCCCn1nc(C)c2c(C(=O)OC)cc(-c3ccc(F)cc3)nc21 13961139 JVUUUEQHWYCLEI-UHFFFAOYSA-N 341.386 4.133 0 50 EIAA O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 22135457 GMNFDNNITRBHKY-CSKARUKUSA-N 346.342 4.445 0 50 EIAA O=C1CC[C@]2(CCCN(CCCCCF)C2)CN1Cc1ccccc1 72412526 DXLSJLKTZOAYKV-NRFANRHFSA-N 346.490 4.031 0 50 EIAA CCCc1ccc2oc(C(=O)N(CC)C[C@@H]3CCN(C)C3)c(C)c2c1 77321683 ALBLVCSOHQYMGW-QGZVFWFLSA-N 342.483 4.108 0 50 EIAA Cc1cc(C(=O)N(C)[C@H](c2ccccn2)C2CC2)c2cccc(C)c2n1 82092401 CQODBBGZWYCDTK-NRFANRHFSA-N 345.446 4.470 0 50 EIAA CCCCn1ccnc1[C@@H]1CCCN(Cc2csc(CC)n2)C1 95379109 OIQIERBEIIWLLZ-OAHLLOKOSA-N 332.517 4.082 0 50 EIAA COc1ccc(C)nc1NC(=O)c1cncc(-c2ccc(C)cc2)c1 136300726 ICWCCQMFEQRHCO-UHFFFAOYSA-N 333.391 4.021 0 50 EIAA O=S(=O)(NC1CCCCC1)c1ccc(Cl)c(Cl)c1Cl 170615086 GGMGZKXOSWKWTN-UHFFFAOYSA-N 342.675 4.258 0 50 EIAA CC1(C)C[C@@H](NC(=O)Nc2ccccc2-c2ccncc2)C(C)(C)O1 181720357 NTPPTTGHKHOTLA-QGZVFWFLSA-N 339.439 4.216 0 50 EIAA CCCOc1ccccc1NCc1noc(-c2ccc(F)cc2F)n1 187466012 FOPYGFGVIRNXGG-UHFFFAOYSA-N 345.349 4.416 0 50 EIAA OCC1CCN(c2ccccc2NCc2sccc2Cl)CC1 194469463 IUJUDYRHXPDIOJ-UHFFFAOYSA-N 336.888 4.222 0 50 EIAA Cc1ccccc1-c1ccccc1C(=O)N(C)CCC1(O)CCCC1 222229935 IEZRGYYBXYHBFA-UHFFFAOYSA-N 337.463 4.429 0 50 EIAA Cc1ccc(NC(=S)NC[C@@H](C)N2CCCC[C@H]2C)cc1Cl 242047884 VQVMLUZYXASLIP-ZIAGYGMSSA-N 339.936 4.198 0 50 EIAA CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 252679353 LEUWUVYHBZQDSK-ZAWLATJESA-N 343.467 4.132 0 50 EIAA COC1(OC)[C@H]2C=C[C@H]1[C@H]1C3c4ccccc4C(c4ccccc43)[C@@H]21 257346398 BJDCWSGFUAZUJG-VZTPJVCJSA-N 330.427 4.315 0 50 EIAA O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccoc1C1CC1 280887443 CUJMEXIYZWSENY-UHFFFAOYSA-N 333.771 4.224 0 50 EIAA CC(C)c1cc(CNC(=O)N2CCCC[C@@H]2c2cccc(F)c2)no1 584891395 YCNQDQDJDPWFIO-QGZVFWFLSA-N 345.418 4.374 0 50 EIAA CC[C@@H](Nc1cccnc1Cl)c1nc(CCC(F)(F)F)no1 874434714 BCPKRDGKWVSVNS-MRVPVSSYSA-N 334.729 4.176 0 50 EIAA Cc1ccc(NC(=O)c2c(Cl)cccc2OCC2CC2)c(C)n1 903887170 LODCOIZJJWIQPP-UHFFFAOYSA-N 330.815 4.393 0 50 EIAA CCC(=O)Nc1cc(NC(=O)CCc2ccc(F)cc2F)ccc1C 952868543 ABNZVRGEDAFXKE-UHFFFAOYSA-N 346.377 4.193 0 50 EIAA CCc1nccn1CCC(=O)N[C@H](c1cccs1)C1CCCCC1 952988683 OLKLAMOCHMQPTJ-IBGZPJMESA-N 345.512 4.335 0 50 EIAA Cc1nccc(-c2ccccc2)c1C(=O)N(C)CC[C@H]1CCCCO1 1506407066 LXRBJXSQAYNSMA-GOSISDBHSA-N 338.451 4.088 0 50 EIAA O=C([C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21)N1CCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 1775985415 SHWIZSUZPHWCJO-IACFOHHFSA-N 347.462 4.032 0 50 EIAA Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CC[C@@]12CCC(C)(C)C2 2325792838 PHYRJNVVRCXPCE-IFXJQAMLSA-N 348.512 4.140 0 50 EIAA CC(=O)NC(C)(C)c1noc([C@H](C)[C@@H](C)c2ccc(Cl)cc2)n1 2325801811 XLIALHWRZQTINV-GHMZBOCLSA-N 335.835 4.001 0 50 EIAA COc1cccc(C2(NC(=O)c3ccc(-c4ccco4)o3)CCC2)c1 2325828860 UANOBLJOPHINMI-UHFFFAOYSA-N 337.375 4.357 0 50 EIAA COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1Br 38375 HSRZTTHIWFNWAD-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA O=C(C[C@H](C(=O)O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1 110179 QKRSVVUEVGLGGY-AWEZNQCLSA-N 327.767 4.263 0 50 EIAA CCOC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 299291 IZIAYLSAJJMGNN-UHFFFAOYSA-N 339.174 4.389 0 50 EIAA CC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccc(Cl)cc12 553200 LIYBUVXNGKPRBP-UHFFFAOYSA-N 331.730 4.415 0 50 EIAA Cc1sc(NC(=O)c2ccccc2)c(C(N)=O)c1-c1ccccc1 1054699 KVFRUHNFVWZAIP-UHFFFAOYSA-N 336.416 4.075 0 50 EIAA CCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c1 2053737 VAFMHFSPIKNASA-UHFFFAOYSA-N 348.855 4.256 0 50 EIAA CCc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1 2713247 QDBKRTUAUMAZDP-UHFFFAOYSA-N 334.423 4.007 0 50 EIAA CCC(C)(C)C1CCC(NC(=O)c2c(Cl)c(C)nn2C)CC1 2781917 ZXHIFMOSJWXFQI-UHFFFAOYSA-N 325.884 4.107 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F 2970318 WNQNXXXZLBBJGU-UHFFFAOYSA-N 329.705 4.420 0 50 EIAA O=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(Cl)cc21 3064326 WVKVCWGATPMWMX-UHFFFAOYSA-N 340.593 4.376 0 50 EIAA CC(=O)Nc1ccccc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 5019825 AOFRHMXTMRCMKO-ZRDIBKRKSA-N 346.386 4.289 0 50 EIAA COC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3)c12 12397168 MWAONHUIJFBPAJ-UHFFFAOYSA-N 330.343 4.343 0 50 EIAA O=C(CC1=CCCCC1)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 14973956 UKQHGUBTNQTSLZ-IBGZPJMESA-N 348.446 4.059 0 50 EIAA O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NC1CCC1 15061607 ZTIAOTKMUVYOAJ-KRWDZBQOSA-N 329.827 4.236 0 50 EIAA Cc1ccc([C@H](NC(=O)c2ccccc2F)c2cccnc2)cc1C 15839785 MDQBVIVVSLASDZ-FQEVSTJZSA-N 334.394 4.357 0 50 EIAA CCc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19789141 IUSRPFHVAGISQE-UHFFFAOYSA-N 328.887 4.220 0 50 EIAA Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1C 44856398 GHUNDMFORQYXGM-SFHVURJKSA-N 336.479 4.390 0 50 EIAA C/C(=C\c1ccccc1)[C@H]1CC(=O)Nc2c1cnn2Cc1ccco1 65407823 GBPAKBBOBGAHLQ-IDKBZEPQSA-N 333.391 4.054 0 50 EIAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-c2ncc[nH]2)c1 97436868 RKILPXBHRKJIKT-LJQANCHMSA-N 331.419 4.362 0 50 EIAA C[C@@H](NC(=O)C1CCC(n2cccc2)CC1)c1csc(C2CC2)n1 169985228 FSYTXXAYMGAEAA-VQCLRJIVSA-N 343.496 4.431 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 170631004 XWTYHSMLXUVXJY-GRIAEXQCSA-N 333.516 4.160 0 50 EIAA Cc1ccc2oc(C(=O)N3CCCCC[C@H]3c3cccn3C)cc2n1 170921987 MWNVYIJZNNFYQM-KRWDZBQOSA-N 337.423 4.232 0 50 EIAA CCc1nnc(-c2cccc(N[C@H]3CCc4c(cccc4OC)C3)c2)o1 192447445 LQEZPMYLWSZOTJ-KRWDZBQOSA-N 349.434 4.277 0 50 EIAA Cc1ncsc1CCN(C)Cc1ccc([C@@H]2CCCCO2)s1 215004767 LUUAEGMCBUSCML-HNNXBMFYSA-N 336.526 4.429 0 50 EIAA CCCCc1nc(Cl)c(CN2CCC[C@@H]2c2c(C)noc2C)[nH]1 216343801 AKAAQOLNMRMZSY-CQSZACIVSA-N 336.867 4.348 0 50 EIAA CC[C@@H]1CCCC[C@@H]1Nc1cccc(C[S@](=O)C2CCOCC2)c1 253369969 KPYLRJIKRKUVRS-YQOVMPOYSA-N 349.540 4.495 0 50 EIAA COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)C(F)F)c1 328587427 QOZOEZCARCYPMK-IAGOWNOFSA-N 331.362 4.018 0 50 EIAA COc1cccc(C)c1C(=O)N(Cc1ccccn1)C1CCCCC1 824792598 LCYSBJXAGWEZIQ-UHFFFAOYSA-N 338.451 4.374 0 50 EIAA Clc1ccc(-c2cnc(CN3CCC(c4ncco4)CC3)o2)cc1 931451019 NAKCZTSMTISKJX-UHFFFAOYSA-N 343.814 4.363 0 50 EIAA CCCOc1c(Cl)cccc1NC(=O)CCc1c(C)noc1C 952991005 YXJCKNDJMMCYQK-UHFFFAOYSA-N 336.819 4.305 0 50 EIAA O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cnc2c(F)cccc2c1 1360205778 PJSGCUYOAXNBEB-IBGZPJMESA-N 334.394 4.125 0 50 EIAA COc1cc2c(cc1OC)C(=Cc1ccc(SC)cc1)C(=O)OC2 2049443800 HRDMOQYPWZFQBW-UHFFFAOYSA-N 342.416 4.023 0 50 EIAA C[C@@H]1C[C@H]1c1ccc(C(=O)N2CC[C@H](c3ccc(Cl)nc3)C2)o1 2325803138 SDZPMWAULBXDSZ-KWCYVHTRSA-N 330.815 4.081 0 50 EIAA Cc1ccc2nc(NC(=O)[C@H]3CCOCC34CCCCC4)oc2c1 2325869068 XWWYVPBJTJCMKT-CQSZACIVSA-N 328.412 4.062 0 50 EIAA O=C(NCCc1cccc2ccccc12)c1ccc2ccccc2n1 88311 OUZXUGMIJUFACQ-UHFFFAOYSA-N 326.399 4.361 0 50 EIAA CC1(C)CC(NC(=O)c2ccc(Cl)c(Cl)c2)CC(C)(C)N1 187461 MWRACXCZRSFZAL-UHFFFAOYSA-N 329.271 4.032 0 50 EIAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(C)cc2)c1 456706 YKTDCUHUEMXWTM-ZDUSSCGKSA-N 342.464 4.341 0 50 EIAA Cc1ccc(CN2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1 1127309 MYARNXUQBNAUOW-HYLYESJESA-N 325.389 4.381 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 4655899 PHINCLQPWUVXRA-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA COc1ccc(CCN[C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1 4986012 QBWVCTNWZKFBEE-AWEZNQCLSA-N 337.385 4.477 0 50 EIAA CNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 7964544 QIGLCFRDQHRBJX-UHFFFAOYSA-N 344.823 4.167 0 50 EIAA N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 8517601 ZDZBVNSIGYFVID-OAHLLOKOSA-N 345.855 4.258 0 50 EIAA O=C(O)c1ccc(/N=c2\nc3ccccc3c(-c3ccccc3)[nH]2)cc1 8921171 WWZYTCHSHCEEGJ-UHFFFAOYSA-N 341.370 4.161 0 50 EIAA C[C@H]1CCc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1 13331300 QQGRBJGTCLRSDW-ZETCQYMHSA-N 342.798 4.452 0 50 EIAA Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)nc1 16605504 ORDUBTFRJHUXLP-JTQLQIEISA-N 325.195 4.103 0 50 EIAA Cc1cccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)c1 17068419 GHMNBCGJXLAWNV-UHFFFAOYSA-N 332.432 4.294 0 50 EIAA CCc1cccc(C)c1N(C(=O)CC1CCCCC1)[C@@H](C)C(=O)OC 23114886 UEHMYEASQRJVSU-INIZCTEOSA-N 345.483 4.422 0 50 EIAA O=C1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 25692858 KAEAITWIXLBOTC-VABKMULXSA-N 328.411 4.415 0 50 EIAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cccc(O)c2C)C1 71767552 CXXCWSOGEWMWRC-SFHVURJKSA-N 337.463 4.494 0 50 EIAA CCCc1cc(CNC(=O)Nc2c(F)cccc2C(F)(F)F)on1 96151896 HHKVSGMJBSKDEG-UHFFFAOYSA-N 345.296 4.107 0 50 EIAA COc1ccc([C@@H]2OC[C@@]3(COC(C)=O)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 101138523 WSCCZHJZVDZUSC-IQWCHCKDSA-N 344.451 4.164 0 50 EIAA O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccncc1F 126138168 FMEAQIHMMQRMDS-UHFFFAOYSA-N 343.745 4.314 0 50 EIAA CC(C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nnc(S)o2)cc1 127876942 KLKCPMLNKXCYQH-OAHLLOKOSA-N 345.468 4.066 0 50 EIAA C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(F)c(O)c(F)c2)C2CC2)o1 170651472 PUDSOADDYNRFPC-HZMBPMFUSA-N 347.361 4.192 0 50 EIAA C[C@H](CN(C)C(=O)N[C@H](C)c1ccccc1Cl)c1nccs1 182050547 AQFBCMJBUZGSKI-VXGBXAGGSA-N 337.876 4.303 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)Nc3ccsc3Cl)C2)cc1 189366794 CXZUIPREHCDQRE-GFCCVEGCSA-N 336.844 4.432 0 50 EIAA CCN(CC)Cc1cccc(NC(=O)c2cnc(O)c3ccccc23)c1 253536889 LSJNXYDQRWZNDV-UHFFFAOYSA-N 349.434 4.035 0 50 EIAA C[C@H](NCc1ccnn1C1CCCC1)c1ccc(Br)cn1 449297567 GQSPSVVSQRZDCV-LBPRGKRZSA-N 349.276 4.007 0 50 EIAA COc1ccc2c(c1)C=C(CN1CCCC[C@@H]1c1ccccn1)CO2 670460436 GGYCKLCUIBTGDW-HXUWFJFHSA-N 336.435 4.093 0 50 EIAA CC1=C(c2ccccc2)[C@H]1C(=O)NC1CCN(c2cccc(C)c2)CC1 670470533 KJFWLGMVHRSVMK-QFIPXVFZSA-N 346.474 4.184 0 50 EIAA O=C(C[C@H]1CCCC1(F)F)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 931596903 AEDJXNFYMYDXEE-CYBMUJFWSA-N 346.381 4.113 0 50 EIAA COc1ccc([C@@H](C)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)cc1Cl 952889573 HSWLDLGVBNEGMI-KYOSRNDESA-N 349.862 4.102 0 50 EIAA C[S@](=N)(=O)c1ccc(OCCCOc2ccc(Cl)cc2)cc1 1875280930 HFZQRPSKNWYOHU-QFIPXVFZSA-N 339.844 4.223 0 50 EIAA O=C(O)CC1CCC2(CC1)CCN(Cc1nc(C3CC3)cs1)CC2 1875291174 QIGGAHIHCHUVLK-UHFFFAOYSA-N 348.512 4.268 0 50 EIAA O=C(NC[C@H]1C[C@@H](c2ccccc2)C1)c1c(Cl)cncc1Cl 2325757679 KPAOHMQJQJENGT-BJHJDKERSA-N 335.234 4.312 0 50 EIAA O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccs1 96433 MDPSKKPTMJIIKO-UHFFFAOYSA-N 328.418 4.314 0 50 EIAA CC(=O)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 296305 QFAOHPFRLPUNBX-UHFFFAOYSA-N 337.404 4.021 0 50 EIAA Cc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 432688 MQKXDOXLKNLCEM-GOSISDBHSA-N 344.414 4.140 0 50 EIAA CSc1ccccc1NC(=O)c1cc(-c2ccccc2O)on1 3908585 RLSTWNDXDQKAHC-UHFFFAOYSA-N 326.377 4.021 0 50 EIAA Cc1sc2ncnc(SCc3ccc(C(=O)O)cc3)c2c1C 4537172 FTYUPUISGBEENW-UHFFFAOYSA-N 330.434 4.299 0 50 EIAA Cc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)o1 12714758 LTEZZWTXKFWORX-INIZCTEOSA-N 344.430 4.358 0 50 EIAA COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1 13126450 PHSKGWBKURXITR-UHFFFAOYSA-N 347.374 4.217 0 50 EIAA COc1ccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc1 14955879 MKVMXKRCNXAQIR-QGZVFWFLSA-N 343.854 4.444 0 50 EIAA Cc1noc2ccc([C@@H]3CC(=O)Nc4n[nH]c(-c5ccccc5)c43)cc12 65420036 OFZFEKNBGHGSFD-HNNXBMFYSA-N 344.374 4.000 0 50 EIAA CCc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)o1 67886620 VQXSREPJBWVPGC-LBPRGKRZSA-N 345.393 4.465 0 50 EIAA O=C(NCCc1cscn1)c1sc2cccc(F)c2c1Cl 91745925 OUYAAWAIYGNNPP-UHFFFAOYSA-N 340.832 4.123 0 50 EIAA CN(C)C[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 96027105 FCGKOEFITHCRPJ-QHCPKHFHSA-N 345.486 4.343 0 50 EIAA CC(C)(C)C1CCC(=CC(=O)N2CCCC[C@@H]2c2ncon2)CC1 154331720 KGQNQMJYZLFDJZ-OEMAIJDKSA-N 331.460 4.286 0 50 EIAA CC(C)c1cccc(CN2CCO[C@@H](c3ccc(F)cc3F)C2)n1 187315202 MXRJKAQBSVFVMO-LJQANCHMSA-N 332.394 4.057 0 50 EIAA Fc1cc(Br)cc([C@H](CC2CC2)NCc2ccon2)c1 188185162 FYGDHMMRRKUNLH-HNNXBMFYSA-N 339.208 4.207 0 50 EIAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1 239174403 PYNLSFJIGKYLLG-QOLKULSZSA-N 345.442 4.233 0 50 EIAA Clc1ccc2nc([C@@H]3CCCN3CCCc3cccnc3)[nH]c2c1 244712669 KUAWBDIMAVFXOI-SFHVURJKSA-N 340.858 4.381 0 50 EIAA CC(C)(c1csc(-c2cccs2)n1)c1nc([C@@H]2CCCO2)no1 252510961 ZSSYYUGECHTEMA-JTQLQIEISA-N 347.465 4.432 0 50 EIAA CSc1ccc(O[C@H](C)C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1 252516736 WGGFEESJCVWXHD-URIUHKRRSA-N 345.508 4.117 0 50 EIAA CC(=O)c1ccc(N2CCC[C@H](c3ncccn3)C2)cc1C(F)(F)F 895225395 DTEFWCXPBIVNCM-ZDUSSCGKSA-N 349.356 4.082 0 50 EIAA COc1cccc(OC2CN(c3nc4ccc(Cl)cc4s3)C2)c1 1529155085 NQIULQQNZYYRDZ-UHFFFAOYSA-N 346.839 4.226 0 50 EIAA OC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(F)cc1C1CC1 1875345437 XPJVVQMTVBWJJO-JOCHJYFZSA-N 339.454 4.476 0 50 EIAA NC(=O)c1c(F)cccc1NCC1CC(c2ccc(Cl)cc2)C1 2325849969 HLRHSRWBWQMSAN-UHFFFAOYSA-N 332.806 4.184 0 50 EIAA CC(C)(C)[C@H]1CC[C@H](NC(=O)c2c[nH]nc2-c2cccc(F)c2)C1 2325875381 POYPRVZXGUGPBT-ZFWWWQNUSA-N 329.419 4.160 0 50 EIAA C[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(F)cc2)s1 451951 TYHYUGGUMZMIOG-NSHDSACASA-N 342.399 4.473 0 50 EIAA O=C(CSCc1c(F)cccc1Cl)NCCc1ccccc1 571585 YBEFXGONUZSMRV-UHFFFAOYSA-N 337.847 4.071 0 50 EIAA CC(C)(C)c1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 917362 LUWFKXMSJULTNT-UHFFFAOYSA-N 330.240 4.395 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 1059676 NZYXUANQJISHGM-MRXNPFEDSA-N 336.435 4.262 0 50 EIAA CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C 2876835 BZXYGKHGQPWECA-UHFFFAOYSA-N 342.464 4.189 0 50 EIAA O=C(O)c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 3082461 IJASPRKMUUQAKN-UHFFFAOYSA-N 344.414 4.410 0 50 EIAA biogenic C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)[C@@H]1CCCO1 4007909 LLCUSVLXASIFOR-BPAFIMBUSA-N 336.435 4.144 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)CCn1nc(C)c(Cl)c1C 4511318 KNBGNMBFGYFQMF-UHFFFAOYSA-N 326.227 4.144 0 50 EIAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(Cl)c(Cl)c1 4682357 KMCQCGHZDCMQMS-UHFFFAOYSA-N 339.247 4.049 0 50 EIAA COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 4845843 VZQMOOTZZPUIMO-UHFFFAOYSA-N 329.355 4.159 0 50 EIAA Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1 5035535 JMSITKFFAWCNBH-UHFFFAOYSA-N 334.375 4.342 0 50 EIAA CN(Cc1nc(-c2ccccc2)no1)C(=O)CCC1CCCCC1 7759641 PKOGAYCNOCDKBL-UHFFFAOYSA-N 327.428 4.056 0 50 EIAA Cc1ccc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c2c1 12274853 WWULCUWRIVSCBJ-UHFFFAOYSA-N 328.456 4.089 0 50 EIAA O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1C[C@H]1CCCO1 12561358 DNORKYIRALUIAA-CRAIPNDOSA-N 342.826 4.086 0 50 EIAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCOCC1 15074559 ZKKFWSVLDPSPJH-UHFFFAOYSA-N 334.419 4.149 0 50 EIAA N=c1sc2c(n1CC(=O)c1ccc(-c3ccccc3)cc1)CCCC2 22018557 CKZFNQNLNCLHNJ-UHFFFAOYSA-N 348.471 4.458 0 50 EIAA CCCCC[C@@H](O)/C=C/[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)O 27640584 HYBPXYQCXNOTFK-GHZVLLFLSA-N 340.504 4.296 0 50 EIAA in-vitro CCCCN(Cc1ccccc1C)C(=O)CCc1[nH]nc(C)c1C 67473067 GSQRJKKPGITECM-UHFFFAOYSA-N 327.472 4.096 0 50 EIAA Cc1cccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)c1 77554269 ONIMJANDVBHYFZ-HXUWFJFHSA-N 335.447 4.049 0 50 EIAA C[C@@H]1CCSCCN1C(=O)Nc1ccccc1-c1ccncc1 192231568 WQOHGOJBVHSPNM-CQSZACIVSA-N 327.453 4.108 0 50 EIAA O=C(c1coc(C2CCOCC2)n1)N1CCCC2(CCCCC2)CC1 225526179 GOBYPPKRZRTRBZ-UHFFFAOYSA-N 346.471 4.145 0 50 EIAA CC(C)c1cc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)no1 244701015 JYKCPZWDOKHNLB-MRXNPFEDSA-N 328.391 4.151 0 50 EIAA C[C@]12CCC3(C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 257345866 LXOGEYSXRYPSCR-AEVHBADWSA-N 332.484 4.341 0 50 EIAA COC1(OC)[C@H]2C=C[C@H]1[C@@H]1C3c4ccccc4C(c4ccccc43)[C@H]12 257346397 BJDCWSGFUAZUJG-FYYSUYBMSA-N 330.427 4.315 0 50 EIAA CC(C)c1ccoc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 287073035 LGENPUJSMOUYRD-ZDUSSCGKSA-N 347.484 4.344 0 50 EIAA Cc1c(NC(=O)c2cnnc(-c3ccccc3)c2)cnn1C1CCCC1 290521430 UPIPRKDEQYSNAN-UHFFFAOYSA-N 347.422 4.016 0 50 EIAA COCc1ccccc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 411075020 XDPMIKOSQQCTRP-IBGZPJMESA-N 349.434 4.077 0 50 EIAA O=C(O)C[C@H](c1ccccc1)C1CCN(Cc2ccc(Cl)o2)CC1 901599674 MPKGIRBJHVKNAD-QGZVFWFLSA-N 347.842 4.404 0 50 EIAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1ccc2ncsc2c1 952966671 IZNGVGHTUMSEQR-UHFFFAOYSA-N 339.395 4.189 0 50 EIAA O=C(c1ccnc(-c2cnc3cc(F)ccc3c2)c1)N1CCCCC1 1875243213 WPXGVXHHLUEXJH-UHFFFAOYSA-N 335.382 4.062 0 50 EIAA CC(C)C1CCC([C@@](C)(O)CNCc2ccc3c(c2)CCOC3)CC1 2325842132 PELUPMBRXJYYBF-UDJZJCJKSA-N 345.527 4.062 0 50 EIAA O=C(NCCc1ccc2occc2c1)N[C@H]1C[C@H]2C[C@H]3C[C@@H](C2)[C@H]1C3 2325879835 JJRDFYAWCKCORT-JAQSECSASA-N 338.451 4.099 0 50 EIAA C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 407952 OPTWRDFVXQQSTK-INIZCTEOSA-N 339.460 4.139 0 50 EIAA Cc1ccccc1SCCNC(=O)NC12CC3CC(CC(C3)C1)C2 4717680 OQPFTDMETUPPQS-UHFFFAOYSA-N 344.524 4.355 0 50 EIAA Clc1cccc(CN2CCC(N3CCc4ccccc4C3)CC2)c1 4744581 PHHGTFKDKJELBL-UHFFFAOYSA-N 340.898 4.363 0 50 EIAA Cc1cccc(Cn2nc(NC(=O)c3cccc(Cl)c3)cc2C)c1 4855333 PJDQWNLUUYIFSC-UHFFFAOYSA-N 339.826 4.454 0 50 EIAA COc1cccc(CNCc2ccco2)c1OCc1ccc(F)cc1 7523630 OWRDKYCLTDMPLO-UHFFFAOYSA-N 341.382 4.296 0 50 EIAA Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccccn1 11692914 WLWWQQPCHRVYNZ-UHFFFAOYSA-N 326.783 4.233 0 50 EIAA Cc1ccccc1[C@H](CC(=O)N(C)C1CCOCC1)c1ccccc1 15076486 HHBLAYJVJAOMCG-OAQYLSRUSA-N 337.463 4.154 0 50 EIAA O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccccc1Cl 17056227 YKQCBWNTKIKDBB-UHFFFAOYSA-N 347.802 4.174 0 50 EIAA CC(C)c1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)n[nH]1 19147180 RWINNMOBOCZATJ-HNNXBMFYSA-N 345.874 4.281 0 50 EIAA CCOc1cc(C(=O)O)ccc1OCc1cccc(C(F)(F)F)c1 34927121 RUNPSBFTTFYTKX-UHFFFAOYSA-N 340.297 4.381 0 50 EIAA Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O 43120334 FATGTHLOZSXOBC-UHFFFAOYSA-N 348.377 4.312 0 50 EIAA investigational CCC(=O)Nc1ccc(NC(=O)c2cc(CC(C)C)no2)cc1Cl 55341388 PRBNGNAWDRISKM-UHFFFAOYSA-N 349.818 4.127 0 50 EIAA CSc1ccc2c(C)cc(N3CCO[C@@H](C(F)(F)F)C3)nc2c1 71752126 AGOKDGFIYYPQKZ-CQSZACIVSA-N 342.386 4.033 0 50 EIAA Cc1cc(C)n([C@H](C)Cn2ccnc2-c2c(C)ccc3ncccc23)n1 77459396 CTSMEWKEUMUCNJ-QGZVFWFLSA-N 345.450 4.481 0 50 EIAA Cc1nnc(-c2ccc3occ(-c4ccc([S@@](C)=O)cc4)c3c2)o1 83434058 RCKYSTKYIVULEK-DEOSSOPVSA-N 338.388 4.196 0 50 EIAA in-vitro C[C@H](Sc1nnc(C(C)(C)C)o1)c1noc(-c2ccccc2)n1 170615486 NNQKLXHHRJMZDK-JTQLQIEISA-N 330.413 4.270 0 50 EIAA CC(C)OCc1cccc(NC(=O)c2ncccc2Br)c1 192910528 SNMHFRFUZZHCEW-UHFFFAOYSA-N 349.228 4.021 0 50 EIAA O=C(c1cccnc1-c1cccc(C(F)(F)F)c1)N1C[C@H]2CC[C@@H]1C2 215661738 BZBYAUJLHPQITC-SWLSCSKDSA-N 346.352 4.392 0 50 EIAA O=C(c1ccc(NCc2cnc3ccccc3c2)cc1)N1CCCC1 352858261 NBJLSJWDAMQBNJ-UHFFFAOYSA-N 331.419 4.083 0 50 EIAA COc1ccc(C2(c3nc([C@@H]4CCCO4)no3)CC3(CCC3)C2)cc1 375686559 DELVZLRYPPUJTA-INIZCTEOSA-N 340.423 4.180 0 50 EIAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cc(C)cc(CN)c3)C2)cc1 424428636 UOTACQSPFIFYEU-VQIMIIECSA-N 337.467 4.172 0 50 EIAA CCN(CC(F)(F)F)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1 584897262 CKMXHHZVJLPOHM-UHFFFAOYSA-N 349.352 4.313 0 50 EIAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1F 1776004357 POEWERWUVFMUJW-UHFFFAOYSA-N 337.416 4.067 0 50 EIAA CCc1onc(C)c1CNc1cccc2c1CN(c1nccs1)C2 1875272304 AHQVJKVRBDSHBX-UHFFFAOYSA-N 340.452 4.134 0 50 EIAA Cc1ccncc1/C=C/C(=O)NCCCOc1cccc2ccccc12 2325732486 RLECNHQJLKIVMT-ZHACJKMWSA-N 346.430 4.142 0 50 EIAA Cc1ccc(C)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c1 213808 AGAITSKPYJUHHK-UHFFFAOYSA-N 329.871 4.440 0 50 EIAA COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC 282847 NZDDITLDHMTAPM-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA COc1ccc(CCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 450373 FEBKVBSVIFLINY-CYBMUJFWSA-N 349.883 4.188 0 50 EIAA C[C@@H](CN1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1 550703 IZESOZHYTXOOBW-SFHVURJKSA-N 337.463 4.236 0 50 EIAA CCC(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 559496 UZNGRFIOSJQLIX-UHFFFAOYSA-N 330.391 4.231 0 50 EIAA O=c1oc2cc(OCc3ccc(F)cc3F)ccc2c2c1CCC2 608440 XKMBOUNISFWSLW-UHFFFAOYSA-N 328.314 4.139 0 50 EIAA O[C@H](Cn1cnc2ccccc21)Cn1c2ccccc2c2ccccc21 2690001 XLVGAHBIKRURIJ-MRXNPFEDSA-N 341.414 4.205 0 50 EIAA COc1cc(C=O)cc(Cl)c1OCCOc1c(C)cccc1C 2866701 CXQGJQXISCFZMH-UHFFFAOYSA-N 334.799 4.236 0 50 EIAA CC(C)NCCOCCOc1c(Cl)cc(Cl)cc1Cl 2981050 ACOJWZGCSWQEKP-UHFFFAOYSA-N 326.651 4.040 0 50 EIAA O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(Cl)cc1Cl 4588852 NBMXOTSWUFVVAR-AUWJEWJLSA-N 336.149 4.477 0 50 EIAA CCCCC/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\CCCC(=O)O 4655421 LRPPQRCHCPFBPE-FYVRRLHDSA-N 338.488 4.382 0 50 EIAA endogenous,in-man CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 5475582 RSCQQESBBZNHOH-FOWTUZBSSA-N 325.389 4.326 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)c1cc(F)c(F)cc1Cl 6967140 QPKFFYFEWDHPPS-UHFFFAOYSA-N 328.771 4.206 0 50 EIAA CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 11636968 LFBLRYFRXIJFMT-GOSISDBHSA-N 327.424 4.362 0 50 EIAA O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)Nc1ccccc1 11997296 KELGKKZXNLMVMK-UHFFFAOYSA-N 340.467 4.144 0 50 EIAA O=C(C1CCC1)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 12595598 JZZXAZSJEWTMSU-OAQYLSRUSA-N 349.474 4.236 0 50 EIAA COC(=O)c1ccc(NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 15746369 QPJDXNGJBDLUFS-DELCKGKKSA-N 341.451 4.408 0 50 EIAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 17986961 KMLOBSGHLLHBMB-NXEZZACHSA-N 331.721 4.038 0 50 EIAA CC1CCN(C(=O)c2cccc(NC(=O)Nc3ccccc3)c2)CC1 20112907 NIKMURKWAQIFOK-UHFFFAOYSA-N 337.423 4.203 0 50 EIAA O=C(NCCc1cccs1)Nc1cccc(CN2CCCCC2)c1 44276501 KTMQRKZMYNAACV-UHFFFAOYSA-N 343.496 4.098 0 50 EIAA COc1ccc([C@@H]2C[C@H](NC(C)=O)C[C@H](CC(C)C)O2)c(C)c1C 65433896 PRDYDOZZZNUVQR-UWVAXJGDSA-N 333.472 4.083 0 50 EIAA COc1cc(CN2CCC[C@H](CCc3ccccc3F)C2)ccc1O 71776236 GPHGBPPHTHSNGL-MRXNPFEDSA-N 343.442 4.385 0 50 EIAA O=C1CC[C@]2(CCOC2)CN1Cc1ccc(-c2ccccc2Cl)o1 91725706 NJYWSUILBGRILW-IBGZPJMESA-N 345.826 4.129 0 50 EIAA S=c1sc(SCCCn2ccnc2)nn1-c1ccccc1 180429827 WJKQAWRQOOXAGF-UHFFFAOYSA-N 334.495 4.042 0 50 EIAA CNC(=O)[C@@H]1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)C1 216161499 YATDHYZBTICSOR-JOCHJYFZSA-N 344.458 4.075 0 50 EIAA COc1ccc(OC2CCN(C(=O)C3CCC4(CC3)CC4)CC2)cc1 666694112 IHJXJZJNDQLJDE-UHFFFAOYSA-N 343.467 4.035 0 50 EIAA CCn1c(C)cc2cc(NC(=O)c3ccc(C(C)=O)s3)ccc21 823582666 XBYIWLNGQDYFBW-UHFFFAOYSA-N 326.421 4.486 0 50 EIAA C[C@@H](NC(=O)N[C@@H](c1ccncc1)C1CC1)c1ccc(F)cc1Cl 895063407 KDCKFDNVDRHYRE-PIGZYNQJSA-N 347.821 4.386 0 50 EIAA C[C@@]1(c2cccc(F)c2)CCN(Cc2c[nH]nc2-c2cccs2)C1 1875322839 KCBDUYPPBQSNJU-LJQANCHMSA-N 341.455 4.441 0 50 EIAA CCc1ccc([C@@H]2CCCN2C(=O)Cc2cncc3ccccc23)o1 2325760611 WFWBSUXAWNUQIX-IBGZPJMESA-N 334.419 4.296 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O 45222 JXUJVKNPEQUAAV-UHFFFAOYSA-N 333.265 4.064 0 50 EIAA biogenic,in-vitro Cc1cc(-n2c(=S)[nH]c3ccccc3c2=O)ccc1Br 99401 JZUASXQNZCDILO-UHFFFAOYSA-N 347.237 4.119 0 50 EIAA COc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1C2=O 193303 VIQGQTIKYAGLEC-UHFFFAOYSA-N 329.355 4.159 0 50 EIAA COc1ccc(Cl)cc1NC(=S)N1c2ccccc2C[C@@H]1C 609481 FYZXWEQVRVRKEV-NSHDSACASA-N 332.856 4.497 0 50 EIAA Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(F)cc2)S3)c1 4268639 DZQLJDXJNHVBBG-HNNXBMFYSA-N 339.395 4.270 0 50 EIAA COc1ccc(OC)c(CN2CC=C(c3ccc(F)cc3)CC2)c1 4986086 SSAPKQKZXANFET-UHFFFAOYSA-N 327.399 4.132 0 50 EIAA COC(=O)c1cccc(COC(=O)c2ccc(Cl)cc2Cl)c1 5059805 VJLCFHNINGQDMK-UHFFFAOYSA-N 339.174 4.137 0 50 EIAA Sc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 5687918 MXVHEZOEAAPXQC-UHFFFAOYSA-N 333.416 4.288 0 50 EIAA Cc1ccccc1NC(=O)Nc1nnc(-c2ccc(F)cc2)s1 8914942 TXTNFWCCQRQTIV-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA FC(F)(F)c1cc(-c2ccccn2)nc2c(-c3ccccc3)cnn12 9925820 PXIUQWSNVWKZOJ-UHFFFAOYSA-N 340.308 4.477 0 50 EIAA CC(=O)c1cc(CN2CCC[C@H](C(=O)c3sccc3C)C2)cs1 12438499 MZTHSTWAILSSCV-HNNXBMFYSA-N 347.505 4.416 0 50 EIAA COc1cc(C[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O 13108863 QDDILOVMGWUNGD-UONOGXRCSA-N 328.408 4.187 0 50 EIAA endogenous,in-man Cc1cccc(-c2nc(CN(Cc3nccn3C)C(C)C)c(C)o2)c1 19223889 MBSCDKLFWXMJRH-UHFFFAOYSA-N 338.455 4.103 0 50 EIAA S=C1SCN(CCc2ccccc2)CN1CCc1ccccc1 19909108 NYQTVLZGKQXVIT-UHFFFAOYSA-N 342.533 4.023 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1OC 36620552 XGQNSTGSAHRMND-QGZVFWFLSA-N 340.423 4.381 0 50 EIAA O=C(Nc1ccccc1OCCOc1ccccc1)c1ccc(O)cc1 63872563 FJJGOGLJJUZJTJ-UHFFFAOYSA-N 349.386 4.102 0 50 EIAA COc1ccc(OC)c([C@@](C)(O)[C@@H](c2ccccc2)c2ccccn2)c1 71767156 TWZHQIAQMJDYBM-FCHUYYIVSA-N 349.430 4.138 0 50 EIAA Cc1ccc(C2(c3noc(Cn4cc(C)nc4C)n3)CCCC2)cc1 72132903 DXDOHDYMVZFHRH-UHFFFAOYSA-N 336.439 4.100 0 50 EIAA CC[C@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(C)cc1C 95391021 MDLMIELPEZPAPH-IBGZPJMESA-N 346.434 4.037 0 50 EIAA CCCNc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 170614796 UYINLAHLWGHDAY-AWEZNQCLSA-N 346.858 4.246 0 50 EIAA CC(C)[C@@H](CNC(=O)Nc1ccc2sncc2c1)c1cccnc1 194293779 PFBNKZRSJITECZ-MRXNPFEDSA-N 340.452 4.253 0 50 EIAA COc1cccc(-c2ccc(C(=O)N(C)CCc3ccncc3)cc2)c1 216120491 AWSPXKCBMXAHNP-UHFFFAOYSA-N 346.430 4.072 0 50 EIAA Cc1cnc(NC(=O)COc2cccc3c2ccn3C(C)C)s1 253406699 JDPTYADIUUWSAL-UHFFFAOYSA-N 329.425 4.005 0 50 EIAA C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 253498970 BFKPXLDFMBGVDL-UQPMZEOESA-N 342.479 4.162 0 50 EIAA biogenic Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)s1 257365502 FPOYGYCUNRHSFP-MCIONIFRSA-N 345.468 4.030 0 50 EIAA C[C@@H]1CCCN(c2cc(-c3nc([C@@H]4CCC(F)(F)C4)no3)ccn2)C1 291146343 YXLOOLDOJCEUBI-TZMCWYRMSA-N 348.397 4.271 0 50 EIAA Cc1cc(NC(=O)N2CCSCC[C@@H]2C)ccc1-c1ccncc1 297535131 XQPTWOMSZBNJIQ-HNNXBMFYSA-N 341.480 4.416 0 50 EIAA CCc1ccc(CCNC(=O)c2cccc(-c3cnn(CC)c3)c2)cc1 299761583 LCRUTCNRKCRIEU-UHFFFAOYSA-N 347.462 4.105 0 50 EIAA O=C(Nc1cc(F)cc(Cl)c1)N1CCC(c2cccnc2)CC1 678191210 RVMPGPBHTRLZGV-UHFFFAOYSA-N 333.794 4.286 0 50 EIAA COc1cccc(C)c1NC(=O)N[C@H](C)C1CCC(F)(F)CC1 847177078 LDCRQLHTCKKBAQ-GFCCVEGCSA-N 326.387 4.339 0 50 EIAA CCc1ccc(-c2n[nH]c(SCC(=O)c3cccc(C)c3)n2)cc1 952880590 GWKXTLLHSZUUHH-UHFFFAOYSA-N 337.448 4.318 0 50 EIAA Cn1nc(-c2ccco2)cc1NC(=O)N1CCCC2(CCCCC2)C1 1320841923 KMIZHNUURMJJKC-UHFFFAOYSA-N 342.443 4.258 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2ccc(C)o2)cc1 1506397670 XMKLNXAFMWMYPS-GOSISDBHSA-N 327.424 4.286 0 50 EIAA CC(C)n1cc2c(n1)C[C@@H](NCc1ccc(-c3ccncc3)cc1)CC2 2325783821 FEVJBMYCZMAZIN-NRFANRHFSA-N 346.478 4.173 0 50 EIAA Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 295251 ROCJUAPCVFIGTB-UHFFFAOYSA-N 329.343 4.123 0 50 EIAA COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 442738 MKDNLSYAWLJIFR-UHFFFAOYSA-N 342.192 4.451 0 50 EIAA COc1ccccc1NC(=O)/C=C/c1cc(Br)cs1 443015 WKMSDJGGPLQMGM-VOTSOKGWSA-N 338.226 4.171 0 50 EIAA Fc1cccc(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 572912 CSJCCQFXNBTWJH-HNNXBMFYSA-N 338.386 4.103 0 50 EIAA Cc1nn(C)c(C)c1CN(C)C(=S)Nc1cccc2ccccc12 611878 CPJFEJUIIZSNEA-UHFFFAOYSA-N 338.480 4.019 0 50 EIAA O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 1389178 DYCQGJGRGGRXCO-UHFFFAOYSA-N 335.734 4.160 0 50 EIAA COc1ccc(C)cc1NC(=O)CCCOc1ccc(Cl)cc1 1777385 IDTNQUDPCCSVIF-UHFFFAOYSA-N 333.815 4.455 0 50 EIAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2F)cc1 4689763 WQVKUGIYCFULAW-KRWDZBQOSA-N 343.398 4.069 0 50 EIAA COCCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 5245655 CMQZLTRROXJIKJ-UHFFFAOYSA-N 344.480 4.042 0 50 EIAA Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1cccnc1 12322614 NJSXUZYVLPSOGB-UHFFFAOYSA-N 343.839 4.097 0 50 EIAA Cc1ccc(C)c(NC(=O)Cc2noc(-c3cccc(Cl)c3)n2)c1 16578751 VQUASEWESLDLQI-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA CC[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 27645272 XYDVGNAQQFWZEF-VDTDYMMTSA-N 336.472 4.158 0 50 EIAA endogenous,in-man O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1ccccc1F 36621019 OZNBQNACPKBWEV-LBPRGKRZSA-N 345.848 4.066 0 50 EIAA Fc1cccc(F)c1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 39769832 YQXOABLFXYUKNB-UXHICEINSA-N 334.454 4.194 0 50 EIAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 77376166 QRYIBEPNASXKOD-KRWDZBQOSA-N 348.446 4.408 0 50 EIAA CCCSc1ccccc1NC(=O)N(C)[C@H](C)c1ccncn1 96164965 IUGAIBYUNPUHFQ-CYBMUJFWSA-N 330.457 4.204 0 50 EIAA O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccc(F)cc1 109863884 KRSXJCIIPZMHLO-CAOOACKPSA-N 325.383 4.338 0 50 EIAA CC(C)c1csc(CNC(=O)c2ccc(F)cc2C(F)(F)F)n1 133679018 RAGWWUKYEMSCSX-UHFFFAOYSA-N 346.349 4.354 0 50 EIAA O=C(CCc1ccccn1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 170598013 BOUCPGGUJHCLKW-UHFFFAOYSA-N 333.391 4.185 0 50 EIAA O=C(NC1CCCCC1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239402920 RGWGQLBFUPUQLE-ZSAUSMIDSA-N 330.299 4.291 0 50 EIAA Cc1nc(SC(F)F)sc1CC(=O)N1CCC(C(C)C)CC1 253427584 CUSFPFUOHFDSPR-UHFFFAOYSA-N 348.484 4.203 0 50 EIAA Cc1ccc2c(c1)SCCCN2C(=O)c1oc(C2CC2)nc1C 253431428 VTXIGDPURYEXBN-UHFFFAOYSA-N 328.437 4.311 0 50 EIAA CCN(CCn1cccn1)C(=O)c1cccc(-c2sccc2C)c1 299795243 LSPXSUVPUNKYMC-UHFFFAOYSA-N 339.464 4.082 0 50 EIAA O=C([C@@H]1CC12CCOCC2)N(Cc1ccco1)c1ccc(Cl)cc1 328588498 QYCWFMKLKQXSDJ-KRWDZBQOSA-N 345.826 4.283 0 50 EIAA Cc1nc([C@H]2CCOC2)cc(N(Cc2cccs2)CC(C)C)n1 426414817 VVTAMBFDVOJTBJ-HNNXBMFYSA-N 331.485 4.013 0 50 EIAA CCOc1cccc([C@H](C)NC(=O)c2ccc3ncsc3c2)c1 498964104 MGSZETRTADVOIG-LBPRGKRZSA-N 326.421 4.186 0 50 EIAA COc1cc(Cl)cc2c1O[C@H](C)C(=O)N(c1cccc(F)c1C)C2 824557992 VPSWRMZQWIZAPI-LLVKDONJSA-N 349.789 4.110 0 50 EIAA CC(=O)c1cc(CN2CCCC[C@H]2CCc2cccs2)n(C)c1 952868607 BOPWVMYJGHSTSN-KRWDZBQOSA-N 330.497 4.277 0 50 EIAA CCOc1ccc(C)cc1S(=O)(=O)Oc1ccc(Cl)c(C)c1 1775971397 PGXWPXGYILEXJJ-UHFFFAOYSA-N 340.828 4.123 0 50 EIAA COc1cc(C(=O)Sc2ccc(Cl)cc2)cc(OC)c1OC 132970 PGZZJKIGLNOHBC-UHFFFAOYSA-N 338.812 4.298 0 50 EIAA biogenic,in-vitro CCC(C)(c1ccc(C(=O)OC)s1)c1ccc(C(=O)OC)s1 286541 DXEOUNBMNBYGPG-UHFFFAOYSA-N 338.450 4.099 0 50 EIAA Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OC(=O)C3CC3)ccc12 457808 FCCJSWMBJCNARK-UHFFFAOYSA-N 348.398 4.316 0 50 EIAA FC(F)(F)Oc1ccc(NC(=S)NCCc2ccccc2)cc1 462407 JZDINXRYEVREFP-UHFFFAOYSA-N 340.370 4.114 0 50 EIAA CCOc1ccc(Br)cc1C(=O)N[C@@H](C)c1ccccc1 617455 MIKGXKORVQITLI-LBPRGKRZSA-N 348.240 4.339 0 50 EIAA CCCOc1cccc(C(=O)Nc2sc(C)cc2C(=O)OCC)c1 2101991 LUEOVJJIDNKCOK-UHFFFAOYSA-N 347.436 4.274 0 50 EIAA Cc1ccc(-c2csc(NC(=O)Cc3csc(C)n3)n2)cc1 5183544 FSDAXAVAYJFMIZ-UHFFFAOYSA-N 329.450 4.065 0 50 EIAA O=C(O)c1cc(-c2ccccc2O)nc2cc(Br)ccc12 6884701 FQLCRRFGRBNDDU-UHFFFAOYSA-N 344.164 4.068 0 50 EIAA Clc1ccc(-n2nnnc2COc2ccc3ccccc3c2)cc1 9303558 SWLVXAPNHWVIKA-UHFFFAOYSA-N 336.782 4.048 0 50 EIAA CC(C)(C)c1cc(NC(=O)c2ccc(Br)s2)no1 12381618 RABRJNUCXLJNMA-UHFFFAOYSA-N 329.219 4.048 0 50 EIAA Cc1ccc(C)c(-c2[nH]c([C@@H]3CC(=O)N(C4CCCC4)C3)nc2C)c1 20600155 QLQJWSOTDCUVAK-MRXNPFEDSA-N 337.467 4.260 0 50 EIAA CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(C)cc3)nc21 20605448 JRKVLRPQMPIWGH-UHFFFAOYSA-N 347.390 4.387 0 50 EIAA COCCN(Cc1ccccc1F)Cc1c(C)nn(C(C)(C)C)c1C 55053044 LXKQEYJJDQDSTP-UHFFFAOYSA-N 347.478 4.043 0 50 EIAA CCOc1ccccc1N1CCN(Cc2c(F)cccc2Cl)CC1 55292068 SIIKWHLAVIDPFN-UHFFFAOYSA-N 348.849 4.200 0 50 EIAA Cc1cc(Cl)ccc1O[C@H](C)c1nn2c(C3CC3)nnc2s1 71767597 ATGBBSBRBVZMCD-SECBINFHSA-N 334.832 4.165 0 50 EIAA CC[C@H](Nc1nc(C2CCCC2)nc2c1CNC2)c1cc(C)ccn1 72145498 WZLLKTDSAMEXSP-INIZCTEOSA-N 337.471 4.004 0 50 EIAA COc1ccc(-c2cc(C(=O)N(C)CCCC3CCCC3)[nH]n2)cc1 92047056 UGBNDOOSJLDBGK-UHFFFAOYSA-N 341.455 4.128 0 50 EIAA c1ccc(Cn2cc(NCc3csc(-c4ccccn4)n3)cn2)cc1 119850323 ZKBRJPVOGMUCJK-UHFFFAOYSA-N 347.447 4.062 0 50 EIAA O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc2ncsc2c1 175908569 HEANTNHFOXLPMN-UHFFFAOYSA-N 348.387 4.131 0 50 EIAA CN(CCc1ccc(F)cc1)C(=O)c1scnc1C1CCCC1 184277847 ZZKNUVQMQXJMQX-UHFFFAOYSA-N 332.444 4.255 0 50 EIAA CSCC1CCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)CC1 215306420 XKEJVMSBPYPRFA-UHFFFAOYSA-N 348.899 4.412 0 50 EIAA Cc1cc2c(N[C@H]3CC[C@H](Nc4ccccn4)CC3)ncnc2s1 253427274 DVHRAUSAWUMQMB-HDJSIYSDSA-N 339.468 4.230 0 50 EIAA Cc1cc(-c2nc(C(C)(C)c3cccc(C(F)(F)F)c3)no2)n[nH]1 341199456 XBDLEKCEKKYDTC-UHFFFAOYSA-N 336.317 4.113 0 50 EIAA Cc1ncsc1CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 411284881 PMBZJCHRQJLLSQ-UHFFFAOYSA-N 345.468 4.007 0 50 EIAA O=C(O)c1cc(C(F)(F)F)c(Br)cc1C(F)(F)F 514271967 WPBOLGCBIQJVBJ-UHFFFAOYSA-N 337.013 4.185 0 50 EIAA C[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)c1ccc(-n2ccnn2)cc1 657933270 QILVBNFPFCEJQT-CHWSQXEVSA-N 343.381 4.012 0 50 EIAA CC(C)(C)OCc1cccc(NC(=O)[C@@H]2CC(=O)c3ccccc32)c1 885619521 UEQJLGNSYFDTJO-GOSISDBHSA-N 337.419 4.310 0 50 EIAA Cc1nc(C)n(CCCN[C@@H](Cc2ccccc2)C2CCCCC2)n1 1506422930 STBHFQAYIAAZQO-NRFANRHFSA-N 340.515 4.066 0 50 EIAA CO[C@H]1COC[C@@H]1n1ccnc1-c1ccc(-c2cccc(Cl)c2)o1 1857675318 SNXHBGYSXDURGB-YOEHRIQHSA-N 344.798 4.050 0 50 EIAA O=C(Nc1ccccc1C(F)(F)F)c1cncc(Br)c1 121136 GNUFRGMAUCDTPV-UHFFFAOYSA-N 345.118 4.115 0 50 EIAA CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2 127230 LCAUWWRMZPIUDN-UHFFFAOYSA-N 348.855 4.491 0 50 EIAA COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(C(C)C)cc2)c1 129622 ZEKWSRYPEMWRHP-KPKJPENVSA-N 326.392 4.446 0 50 EIAA Cc1ccc2cc(C)c(N3CCN(c4ccc(F)cc4)CC3)nc2c1 4755948 BPGIFUVAJFBCRK-UHFFFAOYSA-N 335.426 4.317 0 50 EIAA Clc1ccc(N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 4981374 PGXGCMIXIGLGBC-FQEVSTJZSA-N 326.871 4.020 0 50 EIAA O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1 6743349 COHNPUCUOODDOO-HNNXBMFYSA-N 331.799 4.150 0 50 EIAA O=c1[nH]c(SCc2cccc(F)c2)nc2sc3c(c12)CCCC3 8640181 XJHKTEIWIAEJPM-UHFFFAOYSA-N 346.452 4.295 0 50 EIAA O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1ccco1 22461416 CDPCDJUDKWXCDL-UHFFFAOYSA-N 345.358 4.173 0 50 EIAA c1ccc(-c2ncn(CCCc3cccnc3)c2[C@@H]2CCOC2)cc1 65371503 YASCXQJHADNWKU-LJQANCHMSA-N 333.435 4.082 0 50 EIAA Brc1cccc(-c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1 68200503 RCQIIBJSUWYYFU-UHFFFAOYSA-N 343.180 4.235 0 50 EIAA in-vivo Oc1cccc(-c2nccn2Cc2csc(-c3cccs3)n2)c1 71754806 DTFLGFMBXAKTIZ-UHFFFAOYSA-N 339.445 4.489 0 50 EIAA O=C(Nc1ccc(O[C@H]2CCCCO2)c2ccccc12)C(F)(F)F 71767194 MCSBOGGFTCLJDO-HNNXBMFYSA-N 339.313 4.246 0 50 EIAA Cc1ccc(N2C[C@@H](c3noc(-c4cc(C)ccc4C)n3)CC2=O)cc1 169755366 CNOFRGQPKLFTSH-INIZCTEOSA-N 347.418 4.182 0 50 EIAA CCOC(=O)c1nc(/C=C/c2cc(F)c(F)c(F)c2)sc1C 170612938 OZZVNZIBNKHHPX-SNAWJCMRSA-N 327.327 4.216 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 188693166 MJQJDSUDWDRNLD-UHFFFAOYSA-N 338.436 4.046 0 50 EIAA C[C@@H]1CCCC[C@H]1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 241171098 KEDBRAGCGPOSJY-BFYDXBDKSA-N 328.456 4.121 0 50 EIAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@@H]1C[C@H]1c1cccnc1 242324442 ZBHDOGLZSVIXKP-RBUKOAKNSA-N 347.393 4.333 0 50 EIAA O=C(C1CCSCC1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 275065022 ZGQBIRBLXMFVBD-OTWHNJEPSA-N 329.509 4.314 0 50 EIAA CCN(C(=O)c1cccc(-c2nnc(C)o2)c1)c1ccccc1Cl 408513157 BHWKXOTWHHORHC-UHFFFAOYSA-N 341.798 4.365 0 50 EIAA CC[C@@H](NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1cccs1 822662131 FHZUMSIMDLGVHW-OAHLLOKOSA-N 332.469 4.215 0 50 EIAA O=C(c1[nH]c2ccccc2c1Cl)N1CC(CCC(F)(F)F)C1 1875269983 MAADMBNKUUOXOQ-UHFFFAOYSA-N 330.737 4.236 0 50 EIAA CO[C@H](c1nc(-c2ccc(C)cc2)nn1CC(C)(C)C)[C@@H]1CCOC1 1875336407 ZJAFNUMPDCJYAH-SJORKVTESA-N 343.471 4.024 0 50 EIAA Cc1cc(O)cc(NC(=O)C(F)(F)Cc2c(C)[nH]c3ccccc23)c1 1875358697 GKRGMGYLTNXRJT-UHFFFAOYSA-N 344.361 4.307 0 50 EIAA CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 134781 WKODVDUHMKSPKM-UHFFFAOYSA-N 327.405 4.039 0 50 EIAA Cc1nc2ccccc2n1CCOc1ccc(Br)cc1 255365 KTPHHVPYEAEAIG-UHFFFAOYSA-N 331.213 4.186 0 50 EIAA Cc1ccc(C)c(C(=O)COC(=O)c2cc(C)nc3ccccc23)c1 408664 NMHLNKUGZPVUEC-UHFFFAOYSA-N 333.387 4.200 0 50 EIAA COc1ccc([C@H](NC(=O)c2cccc(F)c2)c2ccccc2)cc1 468563 KPQJDFNOCVRQKH-HXUWFJFHSA-N 335.378 4.354 0 50 EIAA COc1ccc([C@@H](C)NC(=O)c2ccc(OCC(C)C)cc2)cc1 475805 VEUMDLHPRIVMAS-OAHLLOKOSA-N 327.424 4.221 0 50 EIAA CCN(CC)c1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1 611846 FRWGBXRIHNWAMN-UHFFFAOYSA-N 343.427 4.194 0 50 EIAA Cc1ccc(O)c(NC(=O)c2cc(-c3ccccc3Cl)on2)c1 815153 MOGPCFGJLJCFNU-UHFFFAOYSA-N 328.755 4.261 0 50 EIAA COc1ccc(Br)cc1C(=O)Nc1ccccc1Cl 858883 GYHOXOUPODKBCE-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA CC(=O)O[C@@H](C)OC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 2010548 ALIVXCSEERJYHU-GXTWGEPZSA-N 330.355 4.049 0 50 EIAA in-man Cc1ccc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)o1 12714762 LTEZZWTXKFWORX-MRXNPFEDSA-N 344.430 4.358 0 50 EIAA Cc1cc(Cl)cc(Cl)c1OCCCN1C[C@@H](C)O[C@H](C)C1 20167296 PSZZCODPUZXXGE-CHWSQXEVSA-N 332.271 4.180 0 50 EIAA CCOC(=O)[C@H](C)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39433150 XKTOWUXTSFHYKE-ZETCQYMHSA-N 330.224 4.055 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2ccc(O)cc2)c1 55098983 AYRIWSJAUPADFJ-FQEVSTJZSA-N 339.435 4.090 0 50 EIAA CCc1cc([C@@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)on1 72127389 KKOCKBCVQPAVRX-CYBMUJFWSA-N 333.395 4.120 0 50 EIAA CCCN(Cc1ccccc1)c1nnc(-c2ccc(C)s2)n1C 225688473 UOZHVYJPEQDAGO-UHFFFAOYSA-N 326.469 4.269 0 50 EIAA CCc1cccc(C)c1NC(=O)CN1CCn2c(Cl)ccc2[C@@H]1C 225843517 CGBRVORCTKFXQC-AWEZNQCLSA-N 345.874 4.028 0 50 EIAA CC(C)(C)c1cc(NCC2CCOCC2)n(Cc2ccccc2)n1 236670322 KEIZHLDABIOAMQ-UHFFFAOYSA-N 327.472 4.067 0 50 EIAA COc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cc1C 252479420 BEQAETDMAYGQGX-CYBMUJFWSA-N 330.350 4.198 0 50 EIAA O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(C2CCC2)cc1 252483258 DYBXWOSDVURLJS-UHFFFAOYSA-N 348.446 4.329 0 50 EIAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N(C)[C@H](C)c2ccccn2)cc1 253392831 HUXPXURGUJLMAZ-JKSUJKDBSA-N 338.451 4.243 0 50 EIAA CCOC(=O)c1sc2nc(C3CCC(C)CC3)nc(O)c2c1C 253537007 ZDKHSNBDIVERPU-UHFFFAOYSA-N 334.441 4.176 0 50 EIAA C[C@@H](c1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1)N1CCCC1 426552381 UYAIXCDGKAKBSO-HNNXBMFYSA-N 335.451 4.488 0 50 EIAA C[C@H](Oc1ccccc1Cl)c1nc(-c2ccc(O)cc2F)no1 445460699 CFPUGQDLVJJKLJ-VIFPVBQESA-N 334.734 4.375 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@H]3c3cccnc3)c(C)c2c1 952985187 QJJASLOGXLPXBT-SFHVURJKSA-N 333.435 4.465 0 50 EIAA O[C@@H]1CN(CCC2CCCCC2)C[C@H]1Cc1ccc2ccccc2n1 1704312258 HSMBIXGSDCYDDL-DENIHFKCSA-N 338.495 4.040 0 50 EIAA Cc1ccc(C(=O)NCC(=O)c2ccc(-c3ccccc3)cc2)cc1 146817 GXNYEJIOWIPMCP-UHFFFAOYSA-N 329.399 4.275 0 50 EIAA Cc1ccc(-c2nn(-c3ccc(Br)cc3)cc2C=O)cc1 732145 ARNCWEIEKFVTDM-UHFFFAOYSA-N 341.208 4.423 0 50 EIAA CCOC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 3895700 LRMBFLGWKNJJBL-UHFFFAOYSA-N 327.424 4.018 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1F 12404416 ZMMPCDUMSLHKBT-UHFFFAOYSA-N 340.398 4.094 0 50 EIAA CN(C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 12404435 XDIBLBYNKXQGIO-UHFFFAOYSA-N 348.377 4.355 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2ccon2)C1 12594094 KZYDKSLLIYWNQK-FQEVSTJZSA-N 346.430 4.437 0 50 EIAA Cc1c([C@H](C)NCc2cc(F)cc(F)c2)cnn1-c1cccc(F)c1 12613322 XQPGQISYTKQIEZ-LBPRGKRZSA-N 345.368 4.449 0 50 EIAA CC(C)CN1C[C@@H](c2nc(-c3cccc4ccccc34)c[nH]2)CC1=O 20599362 WKGONWRQSCQLMO-INIZCTEOSA-N 333.435 4.202 0 50 EIAA C1=C(c2ccc3c(c2)CN(C2CCOCC2)CCO3)Cc2ccccc21 20781217 UWYAIMIWWRHSOX-UHFFFAOYSA-N 347.458 4.157 0 50 EIAA Cc1cc(C(=O)N[C@@H](C)Cc2cccs2)c2ccc(F)cc2n1 33206500 RAJWDNKFMLIXRT-NSHDSACASA-N 328.412 4.105 0 50 EIAA O=C(C1=CCCCC1)N1CCC[C@H]2CN(Cc3ccsc3)CC[C@@H]21 43632181 UDTUBDYRWYMVMU-OALUTQOASA-N 344.524 4.061 0 50 EIAA CCCn1ncc(-c2ccnc(N[C@H](C)c3cccs3)n2)c1C 48214418 SOYDKDOMLHCWAS-GFCCVEGCSA-N 327.457 4.293 0 50 EIAA Clc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 53050360 NRWWWLAGZMNIDV-UHFFFAOYSA-N 325.843 4.144 0 50 EIAA O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccccc2)N1Cc1ccccc1 59102238 LSWFEKFANVJTSQ-NHCUHLMSSA-N 341.410 4.005 0 50 EIAA CSc1ccc2cc(CN(C)[C@H](C)c3ccco3)c(=O)[nH]c2c1 67447375 KRGQEQZBZBXJHN-GFCCVEGCSA-N 328.437 4.036 0 50 EIAA CCN(C(=O)c1ccc(-n2ccnc2C2CC2)cc1)c1ccccc1 72473457 MRECMMIFSRYXGE-UHFFFAOYSA-N 331.419 4.416 0 50 EIAA O[C@H](Cn1ccnc1-c1cnc(C2CCCCC2)nc1)c1ccccc1 82092211 XXGDVARRFNDOSM-LJQANCHMSA-N 348.450 4.121 0 50 EIAA COc1cccc2cc([C@@H](C)Nc3cccc(C[S@](C)=O)c3)oc12 170592774 JHZINDINNQXVGC-OZAJXLCCSA-N 343.448 4.493 0 50 EIAA Cc1cc([C@H](C)NC(=O)N(C)C[C@@H](C)c2nccs2)c(C)s1 182169357 FLQDGWXUZZOPKL-PWSUYJOCSA-N 337.514 4.328 0 50 EIAA C[C@@H](CCc1ccccc1)N[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 248194371 NUKGCHMUQSQOOQ-YJLSESQESA-N 327.512 4.317 0 50 EIAA CCc1ccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)cc1 261490581 LIBVJZPDLYLBGR-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA CSc1ccccc1[C@@H](C)NC(=O)Nc1cn(C)nc1C(C)C 282018996 JHQDKYPWMFOGOO-GFCCVEGCSA-N 332.473 4.148 0 50 EIAA COC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(F)c(C)c2)c1 299772820 AFVVNQIOTQRDRN-SFHVURJKSA-N 327.399 4.052 0 50 EIAA Cc1cc2cc(NC(=O)N3Cc4ccccc4O[C@@H](C)C3)ccc2[nH]1 367937419 VJRQGZQEPWUOJV-AWEZNQCLSA-N 335.407 4.291 0 50 EIAA Cc1nc2ccc(C(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)cc2n1C 408312778 CINSYBLJPLSUBM-FZKQIMNGSA-N 337.423 4.088 0 50 EIAA O=C(O)[C@@H]1C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1857798425 GJSDHCKKSLPSSM-JKSUJKDBSA-N 338.794 4.381 0 50 EIAA OC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(F)cc1C1CC1 1875345438 XPJVVQMTVBWJJO-QFIPXVFZSA-N 339.454 4.476 0 50 EIAA c1ccc(CCN(CC[C@@H]2CCc3ccccc32)[C@H]2CCOC2)cc1 1875345488 ZDUFKZFATYGOGY-VXKWHMMOSA-N 335.491 4.440 0 50 EIAA Cc1noc(NC(=O)COC(C)C)c1-c1cccc(C(F)(F)F)c1 1940196037 FRVALHGZFRFTIR-UHFFFAOYSA-N 342.317 4.032 0 50 EIAA CC12CCC(CC1)N2C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 2325781766 IOEFJIUDJQSQAF-UHFFFAOYSA-N 349.356 4.048 0 50 EIAA c1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCC2)cc1 67990 FCCVNGXAMLHBOT-UHFFFAOYSA-N 330.435 4.052 0 50 EIAA CCCC(=O)Nc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 318275 AIIOZGCYFGVNPK-UHFFFAOYSA-N 340.423 4.465 0 50 EIAA Cc1cccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1C 371746 OGGXTBOBZZKVNF-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA CCOC(=O)N[C@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2141175 DJBVVKOPJRBXLL-SECBINFHSA-N 347.025 4.161 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)/C(Cl)=C/c2ccccc2)cc1 2863946 QTSATGIXHYRVFI-LGMDPLHJSA-N 343.810 4.472 0 50 EIAA CC(C)CN(CC(C)C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 2988713 BEDDGJVDIQPLEL-IBGZPJMESA-N 335.532 4.338 0 50 EIAA CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl 2993538 QSPUVBFDRSNMLS-NSHDSACASA-N 345.270 4.265 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3N)cc2)cc1 3081979 ACTWLYBLKUPRPI-UHFFFAOYSA-N 345.402 4.082 0 50 EIAA CCN(Cc1ccccc1)Cc1cc(Br)ccc1OC 4988881 GPWFHCWKMIRXIB-UHFFFAOYSA-N 334.257 4.480 0 50 EIAA Cc1cc(Nc2ccc(C(N)=O)cc2)c2ccc(C(F)(F)F)cc2n1 5520792 PSMKDULOZGBZLL-UHFFFAOYSA-N 345.324 4.405 0 50 EIAA CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(F)c2)s1 6604131 XFBHVUYQRCHAAL-UHFFFAOYSA-N 338.429 4.045 0 50 EIAA C[C@H](O)CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8498017 QBGLJPYOLXCQPS-LBPRGKRZSA-N 340.250 4.043 0 50 EIAA COc1ccc(N[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 11665392 USUXWUNBKVDFLD-KRWDZBQOSA-N 344.842 4.065 0 50 EIAA Cc1c([C@@H](C)NCc2cc(F)ccc2F)cnn1-c1cccc(F)c1 12021226 KZMPGTDGOXOIOP-GFCCVEGCSA-N 345.368 4.449 0 50 EIAA CC(=O)Nc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1C 12843536 RCDDUCLENFIBPB-UHFFFAOYSA-N 326.440 4.108 0 50 EIAA O=C(C[C@H]1CCc2ccccc21)N(Cc1ccccn1)Cc1ccco1 92080556 UTHBNOYXCYCEBG-GOSISDBHSA-N 346.430 4.324 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)c2cc3cccc(C)c3n2C)c(C)s1 95352306 AVAXYDUCBSZMIR-GFCCVEGCSA-N 341.480 4.393 0 50 EIAA CCc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)o1 97394520 HAKRUHTXHJHYHU-VIFPVBQESA-N 326.318 4.055 0 50 EIAA FC(F)(F)c1cccc(N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 100415800 FIAOAIAXJRLEKI-HRCADAONSA-N 336.401 4.040 0 50 EIAA C[C@H](C(=O)N(Cc1ccccc1)CC1CCOCC1)c1cccs1 120382824 QEHIMRBSMANJFH-INIZCTEOSA-N 343.492 4.307 0 50 EIAA Cc1coc(-c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)n1 159469334 BAAORZWJYDIUGL-UHFFFAOYSA-N 335.407 4.277 0 50 EIAA Cn1c(S[C@@H]2CCCCc3ccccc32)nnc1-c1cccnc1 177185095 JTTYOYSQAUOWRG-QGZVFWFLSA-N 336.464 4.437 0 50 EIAA Cc1cc([C@H]2CCCCN2C(=O)CCCOCc2ccccc2)no1 223085066 WPDHTOXAGBARHZ-LJQANCHMSA-N 342.439 4.034 0 50 EIAA CC(C)n1cccc1C(=O)N1CCCC[C@H]1CCc1cccc(O)c1 223398244 MUHYJBKXWPOXIK-SFHVURJKSA-N 340.467 4.402 0 50 EIAA COCc1cc(CN(C)[C@@H](C)c2ccccc2OC)ccc1OC 223800455 JQSRYRGXKMJBNQ-HNNXBMFYSA-N 329.440 4.043 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccc(C)c(Cl)c1 229917266 FASFRUJAPNQCNC-UTJXIGIESA-N 347.842 4.280 0 50 EIAA Cc1nn(C)cc1[C@@H](C)NCc1cnc(-c2ccc(Cl)cc2)s1 241231277 KTPIETSVWZMBFI-LLVKDONJSA-N 346.887 4.356 0 50 EIAA Cc1cc([C@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)nn1C 281926972 ATYKIOOSWNVACE-HNNXBMFYSA-N 335.455 4.101 0 50 EIAA CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C(C)=O)s1)CCC2 331513861 JIYCUJHSTBTSOV-LBPRGKRZSA-N 348.493 4.119 0 50 EIAA CC(C)[C@H](N[C@H](C)C(=O)Nc1nccs1)c1ccc(Cl)cc1 433782630 JWKRZAABCUVYJB-RISCZKNCSA-N 337.876 4.110 0 50 EIAA CCCc1ncc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)o1 453365395 GPMZVOYZLYABIU-LBPRGKRZSA-N 342.361 4.419 0 50 EIAA Fc1cccc(OCc2nc([C@H]3CCOC3)n(C3CCCCC3)n2)c1 584885872 PUYGMUXRWOQYIE-AWEZNQCLSA-N 345.418 4.005 0 50 EIAA CN(C)c1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 669371067 WCLRKWGLASKMDH-UHFFFAOYSA-N 336.432 4.429 0 50 EIAA Cc1ccsc1C(=O)N1CCc2sc(Br)cc2C1 676435362 UQDHWACNHWMBOM-UHFFFAOYSA-N 342.283 4.079 0 50 EIAA Cc1ccc([C@@H]2CCN(c3cc(N4CCCCC4)ncn3)C2)c(C)c1 1875362474 HCLUSXIRFFMUPV-GOSISDBHSA-N 336.483 4.078 0 50 EIAA CC[C@H](Oc1ccccc1Cl)C(=O)OCc1ccc2n[nH]cc2c1 2325855384 VZLBLFIQZMFMMH-INIZCTEOSA-N 344.798 4.117 0 50 EIAA Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 57260 CJXAEXPPLWQRFR-UHFFFAOYSA-N 325.843 4.334 0 50 EIAA biogenic,world Cc1ccc(NC(=O)COc2c(C)cccc2C)c(Br)c1 118061 QYFRKVOEAIMWEI-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2C)cc1 121428 IURMDCUUXUFZQF-UHFFFAOYSA-N 326.440 4.167 0 50 EIAA O=C1c2ccccc2C(=O)N1c1ccc2[nH]c(-c3ccccc3)nc2c1 468702 DICKCPDYLKOIGI-UHFFFAOYSA-N 339.354 4.031 0 50 EIAA CCn1c(C)c(/C=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21 4809821 XQOXUAAIKKLRPD-OUKQBFOZSA-N 329.403 4.377 0 50 EIAA CCCCc1ccc(NC(=O)CCOc2ccc(OC)cc2)cc1 5059695 FBRUDECCMFFTPP-UHFFFAOYSA-N 327.424 4.445 0 50 EIAA Cc1ccc(N)c(-c2nnc(-c3ccccc3Br)o2)c1 6697202 DCWJBUPJLGTKCR-UHFFFAOYSA-N 330.185 4.057 0 50 EIAA COc1ccc([C@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)cc1 10156541 UKMUQDNLZFWJEH-OAHLLOKOSA-N 345.402 4.142 0 50 EIAA O=C(CCC(F)(F)F)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 20543236 GGXHSAAZNLCFEU-ZDUSSCGKSA-N 349.343 4.479 0 50 EIAA CC(C)CN1C[C@H](c2nc(-c3ccc4ccccc4c3)c[nH]2)CC1=O 23340408 PGHGOEYWASJVJE-GOSISDBHSA-N 333.435 4.202 0 50 EIAA Cc1cc(I)c(Cl)cc1Br 71792227 GYDUWILOVVPLKQ-UHFFFAOYSA-N 331.378 4.016 0 50 EIAA CC[C@@H]1CCCCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82160458 FGILLRMXJFZEKI-GOSISDBHSA-N 333.435 4.406 0 50 EIAA Clc1nc(N2CCCC2)sc1CN1C[C@@H]2CCC[C@H](C2)C1 102710031 OKVINBIJFBNKMU-CHWSQXEVSA-N 325.909 4.019 0 50 EIAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(O)c1F 129449738 ANPVGRLFZSNYRR-GFCCVEGCSA-N 331.387 4.235 0 50 EIAA O=C(C[C@H]1OCCc2ccccc21)N(c1ccccn1)C1CCCC1 154726682 YVAGDCMKDUECPM-LJQANCHMSA-N 336.435 4.061 0 50 EIAA CC(C)(C)c1nn(-c2ccccc2)cc1CNc1nnc(C2CC2)o1 181516532 SBNYJNDSOVEVMZ-UHFFFAOYSA-N 337.427 4.042 0 50 EIAA CCOC(=O)Cc1ccc(NC(=O)c2occc2C(C)C)c(Cl)c1 252494354 NSWSQAQUVNNPCR-UHFFFAOYSA-N 349.814 4.414 0 50 EIAA CCOC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)cnc1C 261494898 QWLOBFFNXZFBHL-UHFFFAOYSA-N 344.720 4.301 0 50 EIAA COCC[C@@H](NCc1c(C)noc1C)c1ccc(Cl)c(Cl)c1 284348797 CRUJPHMDZODUHD-MRXNPFEDSA-N 343.254 4.466 0 50 EIAA c1ccc(-c2ccc(-c3noc([C@@H]4OC[C@H]5COCC[C@H]54)n3)cc2)cc1 289786638 LOWSTUDCOHDGEC-GUDVDZBRSA-N 348.402 4.128 0 50 EIAA Cc1ccc(-c2cc(C(=O)N(C3CC3)[C@@H]3CCc4ccccc43)n[nH]2)o1 355072097 HCJXGYSIABDXEF-LJQANCHMSA-N 347.418 4.270 0 50 EIAA c1cncc(-c2noc([C@@H]3CCn4c(cnc4C4CCCCC4)C3)n2)c1 373276427 YJFFBUHPKQYNFP-OAHLLOKOSA-N 349.438 4.106 0 50 EIAA Cc1cc(N2CCC[C@]3(CCC[C@H]3O)C2)nc2ccc(Cl)cc12 1704315919 RGPGCVDZCIQEIL-IEBWSBKVSA-N 330.859 4.328 0 50 EIAA CC1=CC2(CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)OCC1 1704325439 LPXKBOXTWQSKPS-SFHVURJKSA-N 331.456 4.222 0 50 EIAA CC(C)N(C)C(=O)c1cc(C2CC2)nc2c1cnn2C1CCCCC1 1875256336 AQVIEJBMAIHOKK-UHFFFAOYSA-N 340.471 4.294 0 50 EIAA Fc1cc(F)c2oc(N3CCC(F)(Cc4ccccn4)CC3)nc2c1 1875305321 QNKXVZGIOCEFDJ-UHFFFAOYSA-N 347.340 4.052 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@H](C)c1nccc2ccccc12 2325735403 KQJPTRBFHDLSRZ-MSOLQXFVSA-N 334.463 4.045 0 50 EIAA O[C@H](c1ccc(-c2cccc(OCCn3ccnc3)c2)cc1)C1CC1 2325755670 UBZKKDZCTDFSHN-OAQYLSRUSA-N 334.419 4.073 0 50 EIAA CN(Cc1ccc(Cl)cc1Cl)C1=NC[C@@H](c2ccccc2)N1 2325864490 QBZWIYOBNYNAIH-INIZCTEOSA-N 334.250 4.126 0 50 EIAA Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 419244 NEEJQQIJNMSCKK-UHFFFAOYSA-N 342.395 4.275 0 50 EIAA CCCCOc1ccc(NC(=O)COc2ccccc2CC)cc1 1779260 JPEAWQZLDZTHBV-UHFFFAOYSA-N 327.424 4.445 0 50 EIAA Cc1nnc(SCCCc2ccccc2)n1-c1ccc(F)cc1 2128439 DUYNDKMLBHJCAV-UHFFFAOYSA-N 327.428 4.440 0 50 EIAA Fc1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc1 2876556 QIQWLYMHQNWPRI-UHFFFAOYSA-N 344.802 4.236 0 50 EIAA C[C@@H](O)CNCCCCOc1ccc(Cl)cc1Cc1ccccc1 2879643 LWGFPBKYUKMXBW-MRXNPFEDSA-N 347.886 4.060 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCCc1cccnc1 12432384 LCARZSGRRNEDCF-FQEVSTJZSA-N 348.421 4.102 0 50 EIAA COc1cc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)ccc1F 12764406 LKXJRTYPFIKUAZ-CQSZACIVSA-N 339.414 4.179 0 50 EIAA CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1OC 17072598 NTCWGWCJGDFRML-ZDUSSCGKSA-N 349.452 4.018 0 50 EIAA CC[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 27645258 XYDVGNAQQFWZEF-BUPWRZTKSA-N 336.472 4.158 0 50 EIAA endogenous,in-man CC[C@@H](C)CCCOC(=O)[C@](OC)(c1ccccc1)C(F)(F)F 43198772 CVDVLBUUDPPNJU-CZUORRHYSA-N 332.362 4.460 0 50 EIAA COc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 64985092 ILOUSGZBNNAHHK-OAHLLOKOSA-N 329.400 4.176 0 50 EIAA CCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1cccs1 65489511 LDHMIDXYYYVPBS-UHFFFAOYSA-N 349.463 4.133 0 50 EIAA Cn1ncc(CN2CCC[C@@]3(C=Cc4ccccc4O3)CC2)c1C1CC1 65508115 TWVXAMNNAQYWNL-JOCHJYFZSA-N 349.478 4.128 0 50 EIAA CC(C)c1nc(CN(C)C(=O)c2c[nH]nc2C2CCCCC2)cs1 92002608 KWHJNZMSMDWRRY-UHFFFAOYSA-N 346.500 4.310 0 50 EIAA CCC[C@H]1C=CCN1C(=O)c1cc(-c2cccnc2)nc2ccccc12 97117339 IBNJSXWPJNGOQF-KRWDZBQOSA-N 343.430 4.478 0 50 EIAA CC(=O)c1cccc(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 155701643 IMRMAQGQYMEYDD-GOSISDBHSA-N 326.371 4.227 0 50 EIAA Cn1ccc2ccc(NC(=O)N3CCc4c(Cl)cccc4C3)cc21 173831118 BJMZAVMLIYCLRN-UHFFFAOYSA-N 339.826 4.422 0 50 EIAA Cn1ccc2cccc(NC(=O)N3CCC(c4nccs4)CC3)c21 253420605 KCNBSDZGXULCJK-UHFFFAOYSA-N 340.452 4.046 0 50 EIAA CN(CCC[C@@H]1CCCO1)C(=O)NCc1ccc(Cl)c(Cl)c1 426531889 ZRCHNDCEIWIXTL-CYBMUJFWSA-N 345.270 4.094 0 50 EIAA O=C(NC[C@@H]1CCCC2(CCC2)O1)c1c(Cl)oc2ccccc12 832300961 JALJHLHSHMWPLL-LBPRGKRZSA-N 333.815 4.308 0 50 EIAA O=C(NCc1ccc(Cl)cc1Cl)N1CCCC2(CCC2)C1 1190090341 GHJCMUZKFAOXEQ-UHFFFAOYSA-N 327.255 4.469 0 50 EIAA C[C@@H](CNc1ncccc1C(=O)N1CCCC1)c1ccc(Cl)cc1 1529185902 SICXIZWGOXROOX-AWEZNQCLSA-N 343.858 4.187 0 50 EIAA CCCCOc1ccc([C@H](C)NC(=O)[C@@H]2CCC3(C2)N=N3)cc1OC 1776006477 QISHTOZWFWBRFE-DZGCQCFKSA-N 345.443 4.014 0 50 EIAA CC[C@H]1C[C@@]1(NC(=O)CCSc1ccccn1)c1cccc(C)c1 1875322119 IZEXDSJNLNEEMK-JXFKEZNVSA-N 340.492 4.314 0 50 EIAA CCC(CC)(NC(=O)c1cc(Cl)nc(Cl)c1)C(F)(F)F 1875364385 QAZZGGJBNRVVBN-UHFFFAOYSA-N 329.149 4.239 0 50 EIAA OCCc1cc2cc(-c3cc(F)cc(Cn4ccnc4)c3)ccc2o1 2325855013 DNTNZUNZJBUOFO-UHFFFAOYSA-N 336.366 4.019 0 50 EIAA CC(C)c1ccc(Nc2nc(Cl)nc(N3CCCCC3)n2)cc1 63019 NLDDPPFUBNNSLV-UHFFFAOYSA-N 331.851 4.382 0 50 EIAA Cc1cc(Br)c(Br)cc1Br 167106 KZZJNNUPNNBCCH-UHFFFAOYSA-N 328.829 4.283 0 50 EIAA in-vitro COc1cc(CNCc2cccc(C(F)(F)F)c2)cc(OC)c1 172211 GPODWYHABMDXQL-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA CC(C)(C)C1CCC(OC(=O)[C@H]2CC(=O)O[C@H]2c2ccccc2)CC1 185900 RTCZJYLOKUHTJO-AKSNENBUSA-N 344.451 4.439 0 50 EIAA C[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN12 277436 PGSOREYYNHHTPA-TVQRCGJNSA-N 349.253 4.400 0 50 EIAA N=C1NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)cc2)S1 979545 INYUBKMKEYWDEA-DHDCSXOGSA-N 344.823 4.058 0 50 EIAA O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1cccnc1 2930938 HMZVTBHSSAEYDI-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA COc1cccc(/C=C/C(=O)Nc2ccc(Br)cc2)c1 3481176 USIZTVMPJYBNPN-BJMVGYQFSA-N 332.197 4.110 0 50 EIAA O=C(O)c1ccccc1-c1cn2cc(C(F)(F)F)cc(Cl)c2n1 4002418 JWBLJMVYNVVTGM-UHFFFAOYSA-N 340.688 4.372 0 50 EIAA O=Cc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 4739222 SVSMWRMIAOSLMK-UHFFFAOYSA-N 325.589 4.494 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1 4749479 IIMRXRQCTWQUPA-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA CC(C)(C)c1cn(C2CCN(C(=O)CC3CCCCCC3)CC2)nn1 48482735 PVSDHWQNUIQHEH-UHFFFAOYSA-N 346.519 4.100 0 50 EIAA CC(=O)Nc1cccc(C(=O)N(Cc2ccsc2)CC(C)C)c1 55245509 KEZKJRPRZCQUSB-UHFFFAOYSA-N 330.453 4.005 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@H]3C(F)(F)F)c2c1 77353300 FRPHLORFXAPHEV-HNNXBMFYSA-N 336.357 4.327 0 50 EIAA CC(C)n1ccnc1[C@H]1CCCN(c2nc3ccccc3s2)C1 95353394 WLDDYXMTJZCNPC-AWEZNQCLSA-N 326.469 4.458 0 50 EIAA C[C@@H](CN1CCCCC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 96028126 YJNFZIRUSJRKOH-GHTZIAJQSA-N 336.479 4.280 0 50 EIAA COc1cc(NC(=O)CC/C=C/c2ccccc2)ccc1NC(C)=O 152149510 PGYFVRUUPPNACL-UXBLZVDNSA-N 338.407 4.086 0 50 EIAA CC(=O)N1CCc2cc(N[C@H](C)c3ncc(C(C)(C)C)o3)ccc21 177414373 IIFKRTMNNVQDDL-GFCCVEGCSA-N 327.428 4.054 0 50 EIAA CSc1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)cs1 221236580 QSNYRRVOYBLTML-CQSZACIVSA-N 336.457 4.372 0 50 EIAA Cc1nc([C@@H](C)NC(=O)CSCc2ccccc2C)c(C)s1 223044518 MFBNSFGDPHLSOW-GFCCVEGCSA-N 334.510 4.179 0 50 EIAA CC[C@H](C)C(=O)Nc1cccc(CNCc2ccc(C)c(OC)c2)c1 240225440 DHUNQNXPWSPMMI-HNNXBMFYSA-N 340.467 4.278 0 50 EIAA Cc1cc2occ(CC(=O)NCCCOC3CCCC3)c2cc1Cl 299795347 LIJIIJYOVROVIR-UHFFFAOYSA-N 349.858 4.403 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)NCc1cc(F)ccc1F 426500066 HHSAJEFMSHMVMF-GOSISDBHSA-N 347.409 4.433 0 50 EIAA CCSCc1ccnc(NC(=O)c2ncccc2SCC)c1 450297500 IZDQEZCXBDVYGS-UHFFFAOYSA-N 333.482 4.094 0 50 EIAA CCOc1ccccc1CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 584904383 WLKXQMWVHDLBJL-RBBKRZOGSA-N 342.527 4.314 0 50 EIAA Fc1cccc(-c2nc(CN3CC[C@H](Cc4nccs4)C3)co2)c1 934334516 AMYFOHXQWJKVIC-CYBMUJFWSA-N 343.427 4.002 0 50 EIAA COc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 41801 MDCNHBSYISBIIW-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA COc1ccccc1O[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 1056988 DRVLCSQYSVKLOC-GFCCVEGCSA-N 342.420 4.019 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 2742340 FMOMTHQRUUXMQH-SECBINFHSA-N 345.267 4.178 0 50 EIAA Cc1ccc2oc(-c3cccc(NC(=O)c4ccccn4)c3)nc2c1 6701689 BBNKGUMIPOTAQC-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA COc1cccc([C@@H](C)NC(=O)c2c(-c3ccccc3)noc2C)c1 13328723 PLGJJDQVBNZIDT-CYBMUJFWSA-N 336.391 4.150 0 50 EIAA CSCc1noc(Cn2cnc(-c3ccccc3)c2C=C(C)C)n1 65370611 WSBZWOWIWOJXFV-UHFFFAOYSA-N 340.452 4.268 0 50 EIAA Cc1ccc(S[C@H](C)C(=O)N(Cc2cccnc2)C2CC2)cc1 72747903 KNHOJMZKKVXWQE-OAHLLOKOSA-N 326.465 4.062 0 50 EIAA CCC(=O)O[C@@H](c1ccccc1)[C@H](Cc1ccccc1)CN(C)C 96027119 XYISHAFTUAWSFR-CTNGQTDRSA-N 325.452 4.101 0 50 EIAA CCCO[C@@H]1CCCN(C(=O)Nc2ccc(-c3cscn3)cc2)C1 96180670 SHWWBLVBIIDHOZ-MRXNPFEDSA-N 345.468 4.233 0 50 EIAA Cc1cccc([C@H]2CCCN2C(=O)c2cc(C(C)C)n(C)n2)c1C 174283805 QOMAWXZRKLYIPH-GOSISDBHSA-N 325.456 4.138 0 50 EIAA O=C(Nc1cccc(Oc2cccnn2)c1)[C@H]1CSc2ccccc21 175922432 HCICDJYUXCDUFR-INIZCTEOSA-N 349.415 4.097 0 50 EIAA CNC(=O)c1ccc(/C=C(\Cl)c2nc3cc(F)ccc3o2)cc1 176907800 UIFSAQANEWQMGB-JYRVWZFOSA-N 330.746 4.063 0 50 EIAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc2cnn(C(C)C)c2c1 179721445 NUXPFCUYRIBDRA-LBPRGKRZSA-N 339.443 4.089 0 50 EIAA Cc1nc([C@H]2CCCN2CCC(=O)Nc2ccccc2Cl)cs1 189807033 INCXCKGMQIEWRZ-MRXNPFEDSA-N 349.887 4.271 0 50 EIAA CC(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)ccc1C 194242730 UYJOIEXBHDPWNZ-ACJLOTCBSA-N 325.408 4.404 0 50 EIAA CCOc1cc(C(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 226318506 QRZJNTUTKIRJII-UHFFFAOYSA-N 340.206 4.070 0 50 EIAA O=C(NC[C@H]1CCCOC1)c1cccc(-c2ccc3ncccc3c2)c1 426551088 IVONHQPIPOJYQU-MRXNPFEDSA-N 346.430 4.058 0 50 EIAA O=C(c1ccc(O)cc1F)N1CCCC[C@H]1c1cc2ccccc2[nH]1 436871073 PEFAYXMMAKTTRT-IBGZPJMESA-N 338.382 4.380 0 50 EIAA O=C(Nc1cnn(C2CCC2)c1)N1CCC[C@@H](c2ccccc2)CC1 934326482 ZVNDQFGQTLFWGE-QGZVFWFLSA-N 338.455 4.410 0 50 EIAA Clc1cccc(-c2nnc3n2CCCC[C@@H]3C2CCOCC2)c1 952884124 YVQFZCDDAIHOMV-MRXNPFEDSA-N 331.847 4.293 0 50 EIAA Clc1cccc(-c2n[nH]cc2CNc2cccc3c2OCCO3)c1 1875255920 JONYAWNLRVNOCL-UHFFFAOYSA-N 341.798 4.113 0 50 EIAA Fc1ccc(Cn2cc(OC[C@H]3CCC[C@H]3C(F)(F)F)cn2)cc1 1875327966 RKVZCBVTCFDGNZ-CZUORRHYSA-N 342.336 4.428 0 50 EIAA O=C(c1ccccc1)c1nnn(-c2ccccc2)c1Nc1ccccc1 55433 HGTWMJBAIWDAID-UHFFFAOYSA-N 340.386 4.242 0 50 EIAA Cc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 241416 ZLTHNSWTHCRXKZ-UHFFFAOYSA-N 334.385 4.336 0 50 EIAA COc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 444686 ZLDCFLZNRZHVKH-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA COC(=O)c1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 609709 GPCAFIBJZDATBG-UHFFFAOYSA-N 338.285 4.136 0 50 EIAA Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1Cl 612540 YRNFKSABFAEWRN-UHFFFAOYSA-N 343.839 4.111 0 50 EIAA Cc1nc2c(-c3ccccc3)c(C)nn2cc1C(=O)Nc1ccccc1 2204730 BOYNXPGAJNXHJS-UHFFFAOYSA-N 342.402 4.265 0 50 EIAA Cc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1 2722795 ZTNQFDDKRCQVEX-UHFFFAOYSA-N 349.415 4.415 0 50 EIAA CCc1cc(OCCCn2cnc3ccccc3c2=O)ccc1Cl 2862816 ASZZGPPPNIOKIY-UHFFFAOYSA-N 342.826 4.081 0 50 EIAA O=C(c1ccc(CSc2nc3ccccc3[nH]2)o1)C(F)(F)F 2873347 LJIAJZCOCKLBGW-UHFFFAOYSA-N 326.299 4.193 0 50 EIAA CCOc1ccc(OCCOc2ccccc2Br)cc1 2991050 NREAQEVHLHDUMX-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA Fc1ccc(N2CCN(C/C(Cl)=C/c3ccccc3)CC2)cc1 23282042 XHLBWEGLRDDXID-VKAVYKQESA-N 330.834 4.228 0 50 EIAA Cc1nn(C)c(C)c1-c1ccnc(N[C@H](C)c2ccc(Cl)cc2)n1 48090868 NNECGRABUIPGPH-LLVKDONJSA-N 341.846 4.320 0 50 EIAA Fc1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 55543204 VUQKZSZGKKFBNO-UHFFFAOYSA-N 338.348 4.167 0 50 EIAA CC[C@@H](C)NC1CCN(c2cccc(-c3csc(C)n3)c2)CC1 63834401 RYRLPWKUYRVJJO-CQSZACIVSA-N 329.513 4.475 0 50 EIAA c1ccc(NCCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)cc1 65452001 BKZIJOYBHMZCCQ-GOSISDBHSA-N 333.435 4.166 0 50 EIAA C[C@@H](c1ccncn1)N(C)Cc1c[nH]nc1-c1cccc2ccccc12 67787209 XRGCTOWCPBQALA-HNNXBMFYSA-N 343.434 4.213 0 50 EIAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC[C@H](CO)C1 71707917 XBHADYVJZHULPH-INIZCTEOSA-N 336.435 4.008 0 50 EIAA CCn1nc(C)c(Cn2ccnc2-c2ccccc2SC)c1C 71756932 YXTQOPACHZLQNH-UHFFFAOYSA-N 326.469 4.154 0 50 EIAA Clc1c(-c2cn(Cc3ccncc3)nn2)sc2ccccc12 91690956 HYPMYSJZWLZULZ-UHFFFAOYSA-N 326.812 4.257 0 50 EIAA Cc1ccc(-c2nc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2C)cc1 101669902 KPZDCXZHTWBGGQ-GASCZTMLSA-N 340.448 4.107 0 50 EIAA Cc1cccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 156302252 PSXINWNRWKZHKJ-UHFFFAOYSA-N 342.414 4.347 0 50 EIAA C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CCC2)C1 170662344 AYFHIRMGDJTOKD-LLVKDONJSA-N 327.255 4.196 0 50 EIAA COc1ccccc1C[C@H](C)N(C)C(=O)Nc1c(C)cccc1C 174491487 ODBKPADEWPDZPX-INIZCTEOSA-N 326.440 4.407 0 50 EIAA C[C@H](N[C@H](C)CCc1ccccc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 248194367 NUKGCHMUQSQOOQ-SXPDOFJESA-N 327.512 4.317 0 50 EIAA CC(C)[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2n1C(C)C 252491292 LKXCHQKQGSYKEA-GOSISDBHSA-N 336.439 4.139 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257345963 NTIDOCUQWIFRTK-SUGYDSBTSA-N 334.500 4.179 0 50 EIAA CC(C)c1noc([C@H](N[C@@H]2CCC[C@H](C3CC3)C2)C2CCOCC2)n1 328635721 UXQZEDMNBRUBNE-RCCFBDPRSA-N 347.503 4.219 0 50 EIAA O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 333955377 GBRNSSLBHVHINE-VAVNGKDRSA-N 342.483 4.024 0 50 EIAA CC1(C)Cc2occc2[C@@H](NC[C@@H](CO)Cc2ccc(F)c(F)c2)C1 357848226 JXTHTNDHQBSMNS-KSSFIOAISA-N 349.421 4.012 0 50 EIAA CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(O)nc1)CCC2 390835408 MTSFDEJGUGIQSY-IBGZPJMESA-N 338.451 4.037 0 50 EIAA CC(=O)c1ccc2cc(Oc3ccnc(N4CCCC4)n3)ccc2c1 1875294587 KEFPFKHRPZKWEB-UHFFFAOYSA-N 333.391 4.225 0 50 EIAA Cc1cnc([C@H](C)NCc2cc3cc(Br)ccc3o2)[nH]1 2325773913 XWACTSNDLBTZEV-JTQLQIEISA-N 334.217 4.078 0 50 EIAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(Cl)c1 28513 ZVJSWXFCMJIVFF-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA COc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1OC 238313 SBOKPIVMQFZLST-UHFFFAOYSA-N 333.387 4.208 0 50 EIAA CN(C)c1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 376442 RDGJZFZZRWINKL-LFYBBSHMSA-N 345.240 4.167 0 50 EIAA COc1cc(OC)c(NC(=O)Cc2ccc(Cl)cc2)cc1Cl 617097 FZLQWNMMQMYDMO-UHFFFAOYSA-N 340.206 4.192 0 50 EIAA CC(C)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 1079744 MWRWBUHVVJIAIM-UHFFFAOYSA-N 328.359 4.347 0 50 EIAA Cc1c(Br)cc(Br)cc1Br 1664051 BFRIZWKDNUHPHL-UHFFFAOYSA-N 328.829 4.283 0 50 EIAA in-vitro CC(=O)Nc1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)cc1 2708154 WSTHONGBVOXMJF-NSHDSACASA-N 328.437 4.084 0 50 EIAA Cc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)c1 2881773 HZHPHEIOAWVJFO-HNNXBMFYSA-N 344.414 4.444 0 50 EIAA CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12283687 GVKMDXMZINVNCF-ZDUSSCGKSA-N 349.352 4.202 0 50 EIAA O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cnn12 20605627 NXIQGIXYGUPWNU-UHFFFAOYSA-N 342.569 4.055 0 50 EIAA CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 67567273 JFKSOPVUOHNOJJ-AEFFLSMTSA-N 337.423 4.021 0 50 EIAA Cc1nc[nH]c1-c1nccn1C[C@H](c1ccccc1)N1CCCCCC1 71385594 OHIKKRXBPHIYAU-LJQANCHMSA-N 349.482 4.199 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)ccc1O 71388818 UXJSMNGRJQIKAO-INIZCTEOSA-N 341.426 4.325 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2ncsc2c1 72454396 SRDGVMAXFRFVTA-UHFFFAOYSA-N 349.415 4.224 0 50 EIAA Cc1cc2cc(C(=O)N(C)Cc3ccc4nsnc4c3)ccc2o1 91906511 FQGJXWKLDASLQZ-UHFFFAOYSA-N 337.404 4.018 0 50 EIAA O=C1CCCN1[C@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 93278223 LCUYZAABGBJMNH-KRWDZBQOSA-N 340.492 4.002 0 50 EIAA CC(C)[C@H](NC(=O)Nc1cccnn1)c1cccc(C(F)(F)F)c1 151776413 DRAXKXGPJUDHKQ-AWEZNQCLSA-N 338.333 4.014 0 50 EIAA Cc1ccc2c(c1)[C@@H](NC(=O)N1CCn3cccc3[C@@H]1C)CCS2 170622304 VQQZRCRMFBIODJ-HOCLYGCPSA-N 341.480 4.120 0 50 EIAA O=C(Nc1ncccc1-c1ccccc1)c1occc1Br 179568907 HCTXRHNFKJVKNF-UHFFFAOYSA-N 343.180 4.356 0 50 EIAA Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2)cs1 186995613 JBMOMEBJLUZCPV-AWEZNQCLSA-N 340.370 4.448 0 50 EIAA CCOc1cccc2[nH]cc(CC(=O)N(C3CCCC3)C3CC3)c12 188116861 BKVZKBBOOKIKMD-UHFFFAOYSA-N 326.440 4.043 0 50 EIAA Cc1ccnc(C[C@@H](C)N(C)Cc2cncn2C2CCCCC2)c1 243932069 BSCVSOTYFMZNKM-QGZVFWFLSA-N 326.488 4.155 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]32)C1 253527881 OQHMNEGOKQMOFM-MTPZLDIWSA-N 332.484 4.242 0 50 EIAA Cc1nc(CNc2cc(C(F)(F)F)cc(Cl)n2)ccc1[C@@H](C)O 408522077 COHQOVUBHJSVJP-SECBINFHSA-N 345.752 4.123 0 50 EIAA Cc1ccccc1Cn1nc(C2CC2)nc1CCc1scnc1C 825236162 CQIWXJRJUZJQRK-UHFFFAOYSA-N 338.480 4.062 0 50 EIAA Cc1cccc(Oc2cc(CN[C@H]3CCCn4ccnc43)ccn2)c1C 888094083 GEECUEZBWJCRKQ-SFHVURJKSA-N 348.450 4.312 0 50 EIAA Oc1ccc2c(c1)CCN(c1cc(SCc3ccccc3)ncn1)C2 1307234845 PXLUNVPWRMUDEJ-UHFFFAOYSA-N 349.459 4.037 0 50 EIAA O=C([C@@H]1Cc2ccncc2C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 2325707212 XYSLCRRAXBUOFY-UTKZUKDTSA-N 345.446 4.032 0 50 EIAA C[C@H](Cc1ccc(F)c(F)c1)C(=O)NCc1cnc2ccccc2c1 2325870770 OBUGTGXTDLDEQQ-CYBMUJFWSA-N 340.373 4.008 0 50 EIAA CC(C)C(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 285124 WTYDTIXXMYGORN-NSHDSACASA-N 326.676 4.247 0 50 EIAA CCCC(=O)Nc1ccc(NC(=O)c2cccc(OCC)c2)cc1 444589 HLELZPABNOSUFU-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA O=C(CCSc1ccc(Cl)cc1)N1CCc2ccccc2C1 450401 BDVRQIYDXZCAKI-UHFFFAOYSA-N 331.868 4.407 0 50 EIAA COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2)c2ccccc2)cc1 460786 CGOOKUDEQSWKAU-OAQYLSRUSA-N 346.382 4.476 0 50 EIAA O=C(Nc1cccc(C(=O)Nc2cccc(F)c2)c1)c1ccccc1 465277 IIXRDUOQFSZTSQ-UHFFFAOYSA-N 334.350 4.330 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1 1054261 VSOIQYGPNDWVAW-UHFFFAOYSA-N 343.271 4.098 0 50 EIAA COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1OC 2615796 LBEPSSGZYYZHTC-UHFFFAOYSA-N 343.423 4.019 0 50 EIAA O=C(Nc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2)on1 2794468 GAJKZEFHLOWBPH-UHFFFAOYSA-N 330.290 4.195 0 50 EIAA CCCCC(=O)Nc1cccc(NC(=O)COc2ccc(C)cc2)c1 2827610 INTIZPFNHITCET-UHFFFAOYSA-N 340.423 4.141 0 50 EIAA CCCCOc1ccc(-c2nnc(S)n2-c2ccccc2)cc1 2910682 UUXOMZVTXAPAFR-UHFFFAOYSA-N 325.437 4.402 0 50 EIAA O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1 5675873 OJWYWNQAIIJMQB-UHFFFAOYSA-N 331.730 4.491 0 50 EIAA O=C(N/N=C/C(Br)=C/c1ccccc1)Nc1ccccc1 8110942 DUGRIXCALFSETO-OIKHISIKSA-N 344.212 4.230 0 50 EIAA CSCCCN1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 12432786 VIVXTILINCRPEU-QGZVFWFLSA-N 335.513 4.122 0 50 EIAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc(O)cc3)C2)c1 20109830 JVJUNFRWEFTDFH-IBGZPJMESA-N 347.462 4.470 0 50 EIAA Cc1cc(-n2nc(C3CC3)nc2-c2cnc3ccccc3c2)ccn1 65385380 IGKOXAYPYHSNTJ-UHFFFAOYSA-N 327.391 4.063 0 50 EIAA CCCCOc1ccc2c(c1)NC(=O)C[C@H]2c1ccc(C(=O)O)cc1 65504703 PHDKHNKTYMCBIO-KRWDZBQOSA-N 339.391 4.038 0 50 EIAA Cc1n[nH]c(-c2ccc(-n3ccnc3[C@H](C)c3ccccc3)cc2)n1 71753998 OQDQQQCKXXGDCS-CQSZACIVSA-N 329.407 4.118 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)c(C)c1 77358487 YQUCSWWWHXVITD-HXUWFJFHSA-N 349.474 4.358 0 50 EIAA CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(-c2ccco2)cc1 96165759 XQXRBUDUGMLRNI-KRWDZBQOSA-N 328.412 4.370 0 50 EIAA O=C(c1cnc(C2CC2)nc1)N(Cc1ccccc1)Cc1ccccc1 97547883 QIHCLZRJOQSLBX-UHFFFAOYSA-N 343.430 4.197 0 50 EIAA Cc1ccc(-c2nc(CCNC(=O)c3cccc(C)c3F)co2)cc1 152825553 XFZIBPHXMXMZNT-UHFFFAOYSA-N 338.382 4.070 0 50 EIAA CC1(C)C[C@@H](NC(=O)N[C@@H](c2ccccc2)c2ccco2)C(C)(C)O1 182249586 WMYAZMGFIKNYLS-SJORKVTESA-N 342.439 4.014 0 50 EIAA C[C@H](CC1CCCCC1)NC(=O)Nc1ccc(N2CCOC2=O)cc1 193417113 NCJUMUYRQMNUQI-CQSZACIVSA-N 345.443 4.124 0 50 EIAA COc1ccc(CN(C)Cc2csc(C(C)=O)c2)c2cccnc12 216400369 VKGSIIVLSMGGDK-UHFFFAOYSA-N 340.448 4.140 0 50 EIAA Cc1cc(CNC(=O)C[C@H](Cc2ccccc2)c2ccco2)ccn1 223432817 HXOPBNASFGBCKV-IBGZPJMESA-N 334.419 4.016 0 50 EIAA COc1cccc(Cl)c1CC(=O)O[C@H](C)c1nc2ccccc2[nH]1 225692810 UUYNPWNGEDJTHA-LLVKDONJSA-N 344.798 4.072 0 50 EIAA O=S1(=O)C[C@]23CC=CC[C@@]2(CC[C@H]2CC[C@@H]4CCCC[C@@H]4[C@@H]23)C1 230118553 URACDKFMGOHETL-HUTLCRKWSA-N 334.525 4.364 0 50 EIAA O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(C2CCC2)cc1 252505087 VOBMXMLKXWODTM-UHFFFAOYSA-N 334.419 4.099 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 257365269 ZJRTUZYOHIHLBJ-BBWFWOEESA-N 326.465 4.309 0 50 EIAA Cc1c(NC(=O)c2cccc([C@@H]3CCOC3)c2)cnn1C1CCCC1 278668299 SLCFZKPSGSRFFY-QGZVFWFLSA-N 339.439 4.063 0 50 EIAA CCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 372720958 WDEOWASDKJHVEB-OAHLLOKOSA-N 327.428 4.331 0 50 EIAA CNC(=O)[C@@H]1CCCc2sc(/C=C/c3cccc(Cl)c3)nc21 408516185 WWQLJDFPTUISDJ-MMQHEFTJSA-N 332.856 4.133 0 50 EIAA CCCOc1ccc(Cl)cc1CNC(=O)N1CCC(F)(F)CC1 534587468 RBRXHZKKZANEJG-UHFFFAOYSA-N 346.805 4.070 0 50 EIAA O=C(c1cnc(-c2ccccc2)s1)N1CC=C(c2ccccc2)C1 777782270 CGLRIPJUFSMZEF-UHFFFAOYSA-N 332.428 4.350 0 50 EIAA C[C@@H](NC[C@@H](CCO)c1ccccc1)c1cnc(-c2ccccc2)o1 888099073 VAYSPOUIZJESGA-VQIMIIECSA-N 336.435 4.158 0 50 EIAA CCCC[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)C[C@H](C2CC2)O1 1875250430 XUVLWPVWWBTXSE-CRAIPNDOSA-N 345.512 4.308 0 50 EIAA CC[C@H]1COC(C)(C)CN1CC(=O)c1cc(C)n(CCC(C)C)c1C 1875357321 BJJJRZCQOXXZTD-SFHVURJKSA-N 348.531 4.223 0 50 EIAA CCN(CC)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 129278 OEYLSEZQOYVEAA-UHFFFAOYSA-N 326.440 4.167 0 50 EIAA O=C(NCc1c(Cl)cccc1-n1cccc1)Nc1ccccc1 4054741 UNPKBDTXWZMYFL-UHFFFAOYSA-N 325.799 4.452 0 50 EIAA Cc1ccc(C(=O)O)c(C(=O)Nc2ccc(Br)cc2C)c1 5698121 KNGFYOOBBMUDKF-UHFFFAOYSA-N 348.196 4.016 0 50 EIAA CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccncc1 6726519 DMULJSMKHSQHOV-UHFFFAOYSA-N 348.834 4.445 0 50 EIAA Cc1cccc(-c2nc(CN(Cc3cnn(C)c3)C(C)C)c(C)o2)c1 11879090 SKRSGVUUXZAMAH-UHFFFAOYSA-N 338.455 4.103 0 50 EIAA CCN(Cc1ccccc1)Cc1nc(Cc2ccccc2Cl)no1 14967365 WFFZBBASJOAUKA-UHFFFAOYSA-N 341.842 4.336 0 50 EIAA Cc1ccc(NC(=O)Cc2noc(-c3ccccc3F)n2)cc1Cl 16577090 OGBQRLIJGHOORK-UHFFFAOYSA-N 345.761 4.019 0 50 EIAA COc1ccc(-c2nc(CN3C[C@H]4CCC[C@@H]3C4)c(C)o2)cc1OC 59434690 WEFJKZWIDJTRMJ-GOEBONIOSA-N 342.439 4.042 0 50 EIAA CN(Cc1cccc(Cn2cccn2)c1)Cc1cccc2cnccc12 72417993 KXWNAKYIFZEYRX-UHFFFAOYSA-N 342.446 4.112 0 50 EIAA C[C@H](NC(=O)[C@H](C)c1ccccc1)c1nc(C2CCCCC2)no1 127281820 WXDFZQKTGAJHSV-KGLIPLIRSA-N 327.428 4.098 0 50 EIAA O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](N2CCCC2)C1 170627497 VCBHKISVLGILGC-OAHLLOKOSA-N 342.270 4.086 0 50 EIAA c1ccc([C@H](NCc2cnc(-c3ccco3)s2)[C@H]2CCCO2)cc1 193068558 DIKRGGLHOCNTEH-AEFFLSMTSA-N 340.448 4.413 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Cl)c(Cl)c1 227219853 FIAXFZJVOJRGJM-UGFHNGPFSA-N 328.239 4.211 0 50 EIAA O=C1[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@H]3[C@H]2C(=O)N1c1ccccc1 229930496 DGJJBGKNEXEONI-UAFMIMERSA-N 335.447 4.483 0 50 EIAA CCc1cccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)c1 252498666 RHTGTUDGABQJKM-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA CCCOCC(=O)N(C)[C@H](c1csc2ccccc12)[C@H]1C[C@H]1C 252670355 KHWLVDVPGVNPRD-WTANOLMUSA-N 331.481 4.483 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]21C=CC(=O)O1 257355912 DMEFWCRLNXTGFD-UORBNBSKSA-N 342.479 4.162 0 50 EIAA CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H]2CCCc3occc32)s1 266564971 WANAKTAPQIKANX-TZMCWYRMSA-N 347.484 4.387 0 50 EIAA O=C(c1ccc2c(c1)CCO2)N1CCCC[C@H]1CCc1cccs1 952985154 DASFACHYOCOICG-KRWDZBQOSA-N 341.476 4.311 0 50 EIAA Cc1noc(-c2ccnc(N[C@H](CC(C)(C)C)c3cccnc3)c2)n1 1529190671 LMXVCOWLRMJGSX-MRXNPFEDSA-N 337.427 4.424 0 50 EIAA CCCOC1CCN([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 2325805982 JVVUUEATIGWBEQ-IRXDYDNUSA-N 346.515 4.418 0 50 EIAA Fc1ccccc1CN(c1nc2ccccc2n2cncc12)C1CC1 2325855005 DAHULAJSNPKCJM-UHFFFAOYSA-N 332.382 4.191 0 50 EIAA CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 37592 QGSYKXHKLKHRJM-CYBMUJFWSA-N 333.815 4.490 0 50 EIAA Cc1ccc([C@H](CC(=O)NCc2ccco2)c2ccccc2)c(O)c1 545469 AEULUYBDLMYYJZ-LJQANCHMSA-N 335.403 4.132 0 50 EIAA Cc1ccc(NC(=O)Nc2nnc(-c3cccc(F)c3)s2)cc1 1255507 HZTFZKOIMVDCLG-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2 4134512 PPFLUKYHYXIBFN-UHFFFAOYSA-N 346.477 4.222 0 50 EIAA Cc1ccc(-n2ncc3c(N[C@@H](C)c4ccccc4)ncnc32)cc1 4354984 AXFRDGWJMVXSNR-HNNXBMFYSA-N 329.407 4.297 0 50 EIAA COc1ccc(-c2noc(-c3cccc(OC(C)C)c3)n2)cc1OC 4520785 PJGITSBBVOHVGS-UHFFFAOYSA-N 340.379 4.208 0 50 EIAA Cc1cc(C(F)F)nc2sc3c(c12)N[C@H](c1ccccc1)NC3=O 6613249 BHDNMFHCAFPTLB-HNNXBMFYSA-N 345.374 4.396 0 50 EIAA O=C(c1ccncc1)c1ccc(NCCC(=O)c2cccs2)cc1 17070401 AEUKMMSJZIWMLA-UHFFFAOYSA-N 336.416 4.059 0 50 EIAA Clc1ccccc1-c1ccc(CNCCOc2ccccn2)o1 57354904 MVBGCEFRKWZYQG-UHFFFAOYSA-N 328.799 4.164 0 50 EIAA CC(C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 59740138 FPKJSRZOIPXKGI-HNNXBMFYSA-N 330.472 4.033 0 50 EIAA COc1cccc(Nc2nc(Nc3ccc(C)cc3)nc(C)c2N)c1 67640793 SFNNGIFZBIITOA-UHFFFAOYSA-N 335.411 4.171 0 50 EIAA CCC[C@H](C)N(CC)Cc1ccccc1-c1nc(C(F)F)cc(=O)[nH]1 67947562 WQMMQKZFQNPIND-ZDUSSCGKSA-N 349.425 4.385 0 50 EIAA CCn1cc(NC(=O)N[C@H](CC(C)C)c2ccccc2C)ccc1=O 112385471 VBQWGBCAWZGTFZ-GOSISDBHSA-N 341.455 4.086 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 170631001 XWTYHSMLXUVXJY-JKQUEYGFSA-N 333.516 4.160 0 50 EIAA Cc1c(COC(C)C)cccc1NC(=O)NC1Cc2ccccc2C1 184215313 DLQZZRQVANPCLQ-UHFFFAOYSA-N 338.451 4.209 0 50 EIAA CCN1CC[C@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 221897042 JKNMKSPSELCWLY-LPHOPBHVSA-N 348.494 4.050 0 50 EIAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(Cl)cc1)c1ccccn1 230162294 CRXUURQUNIJLLP-GPMSIDNRSA-N 340.854 4.329 0 50 EIAA CCc1cnc(C)nc1-c1cccc(C(=O)N2CCC3(CCCC3)C2)c1 426693609 BCDKJQLLCBOTKR-UHFFFAOYSA-N 349.478 4.421 0 50 EIAA COc1ccccc1[C@@H]1CCCN1c1nc2ccc(F)cc2n1C 431425046 AZCXWKZHBBBTAX-INIZCTEOSA-N 325.387 4.063 0 50 EIAA Cc1ccc(CCC2CCN(Cc3nnsc3Cl)CC2)cc1 669793655 LXNJNCOWLBPJGD-UHFFFAOYSA-N 335.904 4.345 0 50 EIAA Cc1cc(C(=O)Nc2n[nH]c(C3CC3)c2-c2ccccc2)cc(C)n1 1337395802 LCIRXJSJGUTPAO-UHFFFAOYSA-N 332.407 4.218 0 50 EIAA CC(=O)O[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 1500997235 BBOKJENTPRWCBO-FKGJNOFZSA-N 334.500 4.322 0 50 EIAA Cc1ncsc1CN(Cc1ccccc1)Cc1c(C)noc1C 1529196722 FOOUBQHENIHLKI-UHFFFAOYSA-N 327.453 4.259 0 50 EIAA c1cc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c2cccnc2c1 1857693662 GQBXRZDGGGDITQ-LAUBAEHRSA-N 346.478 4.363 0 50 EIAA C[C@@]1(C(=O)Nc2ccc3c(c2)NC(=O)CCC3)CCc2ccccc2C1 1875337082 SLVPVPUWIKLFAL-JOCHJYFZSA-N 348.446 4.095 0 50 EIAA Cc1ccncc1-c1ccc(OC[C@H]2C[C@](O)(C(F)(F)F)C2)cc1 2325812517 AMIUZRJCHCWWNF-XFHMXUHZSA-N 337.341 4.139 0 50 EIAA CCO[C@H](C)c1ccc(-c2cnc3c(OC(C)C)nccn23)cc1 2356142591 YWUMZWYAWVMNPO-CQSZACIVSA-N 325.412 4.281 0 50 EIAA Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 451900 BDHODAABNLQWFB-JTQLQIEISA-N 325.195 4.103 0 50 EIAA CC(=O)c1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1 474190 BQWIAMHRNINRAZ-JXMROGBWSA-N 344.208 4.304 0 50 EIAA COc1ccc(Cl)cc1C(=O)NCc1ccc(-n2cccc2)cc1 1426638 VQRJWXBRZSOAIM-UHFFFAOYSA-N 340.810 4.069 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](C)C2)cc1 2825574 ATFLHKCVMXMZJL-MRXNPFEDSA-N 336.435 4.119 0 50 EIAA COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1OC 4843091 CEMWOQFNZOJFBA-UHFFFAOYSA-N 329.396 4.088 0 50 EIAA c1ccc(COc2ccc(CN3CCC[C@H](c4ccn[nH]4)C3)cc2)cc1 14989173 XPSYTHXOYVBZCF-FQEVSTJZSA-N 347.462 4.368 0 50 EIAA C[C@@H](Cc1cccn1C)SCCS[C@H](C)Cc1cccn1C 34133930 KEGBAOOLUARJQD-IYBDPMFKSA-N 336.570 4.392 0 50 EIAA CCOC(=O)c1sc(-c2ccc(O)cc2)nc1-c1ccccc1 98071504 DIVGZFXXGXUFIZ-UHFFFAOYSA-N 325.389 4.359 0 50 EIAA O=C(C[C@H]1C=CCC1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 115258352 OTWZTYGXHUDJRC-FYSMJZIKSA-N 339.460 4.289 0 50 EIAA Cc1cccc(CN(Cc2ccc3cn[nH]c3c2)Cc2ccccn2)c1 131979189 SYEDXAYCIBCKLN-UHFFFAOYSA-N 342.446 4.469 0 50 EIAA Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 167348671 SPTDNUYDNPCVID-BTFPBAQTSA-N 329.490 4.397 0 50 EIAA O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2ncon2)cc1 171011490 PHQQNPVMZGKPBO-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA Cc1coc(-c2cccc(NC(=O)N[C@@H]3CCOc4ccccc43)c2)n1 177422832 MAPFVUZCZQVSBJ-QGZVFWFLSA-N 349.390 4.295 0 50 EIAA Fc1cccc(-n2cc(CN3CCCC[C@@H]3c3ccccn3)cn2)c1 216214054 DXVCBDPUEOZWRP-HXUWFJFHSA-N 336.414 4.134 0 50 EIAA CN1CCN(Cc2cc(C3CCCCC3)no2)C[C@@H]1c1ccccc1 244874264 WXROCUASTSWSQQ-OAQYLSRUSA-N 339.483 4.211 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CCCCC[C@H]1c1ccncc1 280867465 YNPDLLVQYSSZLI-KRWDZBQOSA-N 341.459 4.088 0 50 EIAA CC(C)Cn1ncnc1CNc1ccc2nc(C(C)C)sc2c1 352035734 UDMJPFRJMLXBQS-UHFFFAOYSA-N 329.473 4.279 0 50 EIAA Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4c(c3)C[C@@H](C)O4)c2)n1 822512935 YRVOFPATBCAKJE-OAHLLOKOSA-N 347.418 4.065 0 50 EIAA CCC(=O)N(C)c1ccc(N[C@H]2CCc3c(F)ccc(F)c32)cc1 883315209 BUOWUWJFNFRJML-KRWDZBQOSA-N 330.378 4.437 0 50 EIAA O=C(c1cc2c(F)ccc(F)c2[nH]1)N1CC=C(c2ccccc2F)C1 1875258218 ABNGNJALRYSNKU-UHFFFAOYSA-N 342.320 4.125 0 50 EIAA O=C(Nc1cccc(F)c1C(F)(F)F)[C@@H]1C[C@@H]2CCCC[C@H]2O1 1875330663 XNHYZHJOBATTEB-BIMULSAOSA-N 331.309 4.131 0 50 EIAA CC(C)c1cccc(N(CCO)Cc2cc3c(F)cccc3[nH]2)c1 1875359146 WCFDFIFPJQXFRU-UHFFFAOYSA-N 326.415 4.429 0 50 EIAA c1cc(CNCc2ccc(-c3ccsc3)nc2)c2c(c1)NCCC2 2325773168 ZPZDJBFXBOSDRC-UHFFFAOYSA-N 335.476 4.458 0 50 EIAA O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1 41176 YZLUQDMQYWYRLA-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2C)cc1 233416 ZLJCMCLDLPNXDL-MRXNPFEDSA-N 336.435 4.262 0 50 EIAA Cc1ccc(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c(C)c1 364561 IKHCFXRGEBATMF-CYBMUJFWSA-N 337.678 4.184 0 50 EIAA O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)c1cccs1 937003 PQHDCVHELRTMQG-UHFFFAOYSA-N 338.340 4.334 0 50 EIAA COc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)c(OC)c1 1071163 CMMXAQWHQSVLEW-GOSISDBHSA-N 333.387 4.331 0 50 EIAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@H](C)C3)c2c1 1459723 KQCDWPZOHIDADL-INIZCTEOSA-N 345.446 4.477 0 50 EIAA Cc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3[nH]2)CC1=O 4225224 WVVPBBXVRCAFIY-GFCCVEGCSA-N 325.799 4.045 0 50 EIAA CCOc1cc(C(=O)N(C(C)C)C(C)C)cc(OCC)c1OCC 6047696 XPIWUZHWQLAWDV-UHFFFAOYSA-N 337.460 4.142 0 50 EIAA COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCCC2)c1 12198983 FCLVEIFOEQBOIS-UHFFFAOYSA-N 333.435 4.144 0 50 EIAA CC[C@H](C)CN1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc(SC)cc1 12200487 HZLYGAAAVCKYAP-MAUKXSAKSA-N 346.540 4.495 0 50 EIAA O=C(c1cccc(Cl)c1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 14956783 WKNOHEWTAUNLCC-QGZVFWFLSA-N 332.806 4.196 0 50 EIAA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C)on1 16341203 OEFYUVQLWMZKIQ-NSHDSACASA-N 329.183 4.086 0 50 EIAA C[C@@H](NCc1cccc(OCc2ccccc2)c1)[C@@H](O)c1ccccc1 19871857 PYOXLNRAYGCQDI-WZONZLPQSA-N 347.458 4.477 0 50 EIAA O=C(O)c1cc(Cl)ccc1OCc1cccc(Br)c1 35605619 CJRKCPFFZCXEKR-UHFFFAOYSA-N 341.588 4.380 0 50 EIAA CSc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 55543488 GGMZEWRKFYPSJL-UHFFFAOYSA-N 332.900 4.384 0 50 EIAA COc1ccc(O)cc1CN1CCC[C@H](CCc2ccccc2F)C1 71760086 FQWAYGGKTJDJMO-MRXNPFEDSA-N 343.442 4.385 0 50 EIAA Cn1cc(-c2nc3ccc(F)cc3[nH]2)c(-c2cccc(Cl)c2)n1 72448292 BASWOGPIDBRXBS-UHFFFAOYSA-N 326.762 4.423 0 50 EIAA CC(C)c1ccc2occ(C(=O)N3CC[C@@H](O)C34CCCC4)c2c1 329252079 VFMVKFRLRUNZCF-GOSISDBHSA-N 327.424 4.076 0 50 EIAA CC[C@H]1COCCN1C(=O)c1cccc(-c2nccc3ccccc23)c1 426689080 CDUWMYJGAFYPTI-IBGZPJMESA-N 346.430 4.153 0 50 EIAA CC(C)[C@H](N[C@@H](C)C(=O)Nc1nccs1)c1ccc(Cl)cc1 433782629 JWKRZAABCUVYJB-FZMZJTMJSA-N 337.876 4.110 0 50 EIAA Cc1cc(CN(C)c2oc(-c3ccccc3)nc2C(F)(F)F)no1 1458097674 YIBXMMROBBZSFC-UHFFFAOYSA-N 337.301 4.293 0 50 EIAA Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(F)c(F)cc1Cl 32812 WQVBIOASHIQGLA-UHFFFAOYSA-N 348.780 4.380 0 50 EIAA biogenic,in-vitro CCOc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 446298 IDFOPXVTCDECSB-UHFFFAOYSA-N 343.382 4.138 0 50 EIAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc4c(c3)OCO4)nc12 2526084 WMTJCZAPYPGFLS-UHFFFAOYSA-N 341.750 4.291 0 50 EIAA Cc1cc(Cl)ccc1NC(=S)N1CCN(c2ccccc2)CC1 2784501 GJRXSNUNHYATEP-UHFFFAOYSA-N 345.899 4.167 0 50 EIAA O=C(NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1CCC1 12191214 IFXYUNCTDDTGOU-HNNXBMFYSA-N 347.867 4.288 0 50 EIAA Cc1cc(=O)oc2cc(NC(=S)NC3CCCCCC3)ccc12 13330394 NFLOKUVCEDRDNY-UHFFFAOYSA-N 330.453 4.111 0 50 EIAA CN(Cc1cnc2ccccc2c1)Cc1cn[nH]c1-c1ccc(F)cc1 55404800 DISIOPOCRLWCRI-UHFFFAOYSA-N 346.409 4.396 0 50 EIAA CCn1ccnc1C1CCN(C(=O)c2cc3ccccc3s2)CC1 95500761 HHPGXBXBCGQZOF-UHFFFAOYSA-N 339.464 4.138 0 50 EIAA Cc1nc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C(C)C)cs1 96160082 URKGMICUCVIDBZ-GOSISDBHSA-N 339.464 4.328 0 50 EIAA Clc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CCCCC2)cc1 96165973 DYKGTAZCOKRAFY-CYBMUJFWSA-N 332.831 4.477 0 50 EIAA c1ccc2[nH]c(C3CN(Cc4ccc([C@H]5CCCO5)s4)C3)nc2c1 97117082 SZUAFOZZHZJHCW-QGZVFWFLSA-N 339.464 4.075 0 50 EIAA C[C@H](Sc1nnc(-c2cccnc2)n1C)c1ccc(F)cc1F 124908192 NLDNXEDUUMZFNN-JTQLQIEISA-N 332.379 4.009 0 50 EIAA C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ncc(-c2ccccc2)o1 125606730 INYPECXVDNBHRE-CYBMUJFWSA-N 331.375 4.314 0 50 EIAA C=CC(=O)Nc1cc(NC(=O)c2ccc(F)c(SC)c2)ccc1F 126032136 ZXGPYLNHLFMAPH-UHFFFAOYSA-N 348.374 4.064 0 50 EIAA Cc1c(NC(=O)C[C@H](C)c2ccccc2F)cnn1-c1ccccc1 129187372 VGCQIJHMFLXPOL-AWEZNQCLSA-N 337.398 4.452 0 50 EIAA COc1cccc2c1N(C(=O)c1sc(CC3CC3)nc1C)CCC2 188521285 JHVKEPUNRZECCR-UHFFFAOYSA-N 342.464 4.006 0 50 EIAA Cc1noc(C)c1[C@@H]1CCCN1Cc1cnc(C2CCCCC2)nc1 215332740 YMUFGLIXDDDWCH-SFHVURJKSA-N 340.471 4.466 0 50 EIAA CC1=C(CCN2CCn3nc([C@@H](O)C4CC4)cc3C2)C(C)(C)CCC1 221379696 MNRYTKBCZBGZAH-FQEVSTJZSA-N 343.515 4.059 0 50 EIAA O=C(NCc1cc2ccccc2[nH]1)c1cnccc1Oc1ccccc1 337438721 KXTICPZGHPYHAA-UHFFFAOYSA-N 343.386 4.285 0 50 EIAA Cc1[nH]nc(CN2CCCC[C@H]2c2ccc(CN(C)C)cc2)c1Cl 952979768 FRQWORBTIWDBJG-SFHVURJKSA-N 346.906 4.160 0 50 EIAA C[C@@H](N[C@@H](c1ncc[nH]1)C1CCCCC1)c1nc(C(C)(C)C)no1 1775985318 OFSMQDCCQCWMTM-TZMCWYRMSA-N 331.464 4.062 0 50 EIAA Cc1cc(C)c(-c2nc(C3CCCC3)nn2[C@@H]2CCCC[C@H]2O)cn1 1857673411 IICOGVGOIDBDKW-QZTJIDSGSA-N 340.471 4.091 0 50 EIAA Cn1cc(-c2nc(Cc3ccccc3)c(-c3ccccc3)s2)nn1 2325821349 HMRWLESZPJGJAE-UHFFFAOYSA-N 332.432 4.196 0 50 EIAA COc1ccc2nc(CN(C)Cc3csc4ccccc34)[nH]c2c1 2325838892 CARHHGAMBUXEKO-UHFFFAOYSA-N 337.448 4.418 0 50 EIAA O=C(O[C@H]1CC[C@@H]1c1ccc(Cl)cc1)c1n[nH]c2c1CCCC2 2325872001 DEXBUJQDCRWISN-CJNGLKHVSA-N 330.815 4.045 0 50 EIAA CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc21 107840 BDOWNVNYZZZCDY-UHFFFAOYSA-N 325.437 4.095 0 50 EIAA COc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)c1Cl 470843 JIRNDIIFDXGQMP-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA CC(=O)c1sc2nc(-c3ccc(Br)cc3)cn2c1C 1399616 WFYDSFZCRJLZKS-UHFFFAOYSA-N 335.226 4.336 0 50 EIAA O=C(NCc1ccco1)c1c(Cl)nc(Cl)c(Cl)c1Cl 1430838 KQYJESUJRIFJFB-UHFFFAOYSA-N 339.993 4.218 0 50 EIAA CSc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CO)cc1 2541930 PSNUDGLEAOHRRU-UHFFFAOYSA-N 330.840 4.407 0 50 EIAA CCc1nccn1-c1cc(C)nc2c(-c3ccc(Cl)cc3)cnn12 5343065 BITSVDBNHQNEBQ-UHFFFAOYSA-N 337.814 4.106 0 50 EIAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 12138463 QXNGQSVUHPKZCJ-CYBMUJFWSA-N 344.842 4.050 0 50 EIAA COCc1ccc(CN[C@H]2CCCc3nc(-c4ccccc4)ncc32)o1 12587388 DVFJODWMIYROFB-IBGZPJMESA-N 349.434 4.050 0 50 EIAA Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccccc2)CC1 16621956 RUEJGVUGSQLTSY-UHFFFAOYSA-N 342.870 4.499 0 50 EIAA O[C@@](CNCc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 19205322 BZQIGMCVUWHUJG-NRFANRHFSA-N 337.850 4.366 0 50 EIAA CCc1ccc(CN(C)Cc2nc(-c3ccc(F)cc3)oc2C)nc1 20208296 DLAWNNAYZOPKPZ-UHFFFAOYSA-N 339.414 4.379 0 50 EIAA Cc1ccc(-c2nc(CN3CCC[C@@H]3c3nonc3C)c(C)o2)s1 23130235 AJVZXYBADPLGRI-CQSZACIVSA-N 344.440 4.048 0 50 EIAA Cn1cc(-c2cccc(-c3ccn(CCCC(F)(F)F)n3)c2)cn1 23380118 CMDHZPOXFBDTFM-UHFFFAOYSA-N 334.345 4.293 0 50 EIAA O=C(O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1F 40449934 KXLDOHNOPDYREH-UHFFFAOYSA-N 328.126 4.083 0 50 EIAA CC[C@@H](NC(=O)CCn1c(C)cc2ccccc21)c1cc(C)ccn1 55061095 QUWWOZDXSLAQTP-GOSISDBHSA-N 335.451 4.311 0 50 EIAA Cc1oc(-c2ccco2)nc1Cn1c([C@H]2CCCO2)nc2ccccc21 67758773 PWOORPPMNAJVHF-QGZVFWFLSA-N 349.390 4.493 0 50 EIAA CN(Cc1ccccc1)c1ncccc1CNc1ncccc1Cl 67820344 BOYVALFAJVXDPN-UHFFFAOYSA-N 338.842 4.379 0 50 EIAA CCc1nc(Cn2cnc(-c3ccccc3)c2-c2cc(C)n[nH]2)cs1 67946790 UVWLPPXDYLJCIR-UHFFFAOYSA-N 349.463 4.316 0 50 EIAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cccc(-c2ccccc2)c1 72152832 SKMULIPPDKPUJC-QFIPXVFZSA-N 335.447 4.415 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)N[C@H](c3ncccc3C)C3CC3)c2c1 77471192 OVGIZJVAANEXON-NRFANRHFSA-N 345.446 4.436 0 50 EIAA CCc1c(C(=O)N2CCCC[C@H]2CCn2ccnc2C)csc1C 91713077 LQYXJPXJKZSBRV-INIZCTEOSA-N 345.512 4.209 0 50 EIAA CCOP(=O)(OCC)C(F)(F)c1ccc2[nH]c(C(=O)O)cc2c1 221667154 FQWGVMDJMIXQPV-UHFFFAOYSA-N 347.254 4.182 0 50 EIAA C[C@H](N[C@H](C)c1ccncc1F)c1ccc2c(c1)COC(C)(C)O2 253416003 IZUOULLTUYRLRB-QWHCGFSZSA-N 330.403 4.278 0 50 EIAA CCc1ccsc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273295320 LWMKZGRFQSLXEV-IRXDYDNUSA-N 347.455 4.442 0 50 EIAA Cc1cccc(NCc2cnc3ccccc3c2)c1C(=O)N1CCCC1 296081119 SPFCYFXENRSYGN-UHFFFAOYSA-N 345.446 4.391 0 50 EIAA CCn1cc(-c2cccc(C(=O)N(C)[C@@H](C)c3cccs3)c2)cn1 299767183 HAZBDKYZMPIJAG-AWEZNQCLSA-N 339.464 4.465 0 50 EIAA O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1sccc1Cl 670463852 GBKQCHZMJVMVEL-OAHLLOKOSA-N 348.899 4.011 0 50 EIAA CC(C)(C)c1nc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)co1 930681063 ITLKCQUSIJJXAK-SFHVURJKSA-N 342.483 4.356 0 50 EIAA CCOc1ccc(OCc2nc([C@H]3CC34CCC4)n(C(C)C)n2)cc1 952971646 SWAYVNHYNHTSPW-QGZVFWFLSA-N 341.455 4.494 0 50 EIAA CSc1cccc(CN(C(=O)c2cccc(O)c2C)C(C)C)c1 1506405461 DQURKPPLYBRWQU-UHFFFAOYSA-N 329.465 4.473 0 50 EIAA COc1cccc2c1OCCN(C(=O)CC[C@H](C)c1ccccc1)C2 1857533156 YTTYRPWPUGPQSS-INIZCTEOSA-N 339.435 4.000 0 50 EIAA Fc1ccc(Cn2cc(OC[C@@H]3CCC[C@@H]3C(F)(F)F)cn2)cc1 1875327964 RKVZCBVTCFDGNZ-BBRMVZONSA-N 342.336 4.428 0 50 EIAA C[C@@H]1c2c[nH]nc2CC[C@H]1C(=O)OCc1ccc(C(C)(C)C)cc1 2325854451 FBQZCGKFPXYHSY-XJKSGUPXSA-N 326.440 4.117 0 50 EIAA O=C(Cc1coc2cc(F)ccc12)Nc1ccc(Cl)c(C(=O)O)c1 2325877738 ZAVRRFCRZYFUON-UHFFFAOYSA-N 347.729 4.105 0 50 EIAA O=C(Nc1ccc(Br)c2cccnc12)c1cccs1 349843 CPWBAOTZKLXRNE-UHFFFAOYSA-N 333.210 4.311 0 50 EIAA COc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408607 UTDBABSQBBPKAJ-UHFFFAOYSA-N 325.195 4.324 0 50 EIAA O=C(Nc1ccccc1-c1ccccc1)[C@H]1COc2ccccc2O1 800468 WOEPEUPWXFJIHW-HXUWFJFHSA-N 331.371 4.132 0 50 EIAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(Cl)c(Cl)c1 2389147 WERAVAVZZMWCOE-NSHDSACASA-N 334.199 4.034 0 50 EIAA COc1ccc2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2c1 2978593 JLIHJQKSFIBHLC-UHFFFAOYSA-N 348.807 4.270 0 50 EIAA Cc1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)s1 3389195 WLYLXMCFOFKOEV-LURJTMIESA-N 348.280 4.273 0 50 EIAA Cc1c(C(=O)Nc2ccccc2Cl)oc2c1[C@@H](O)CC(C)(C)C2 4851497 DMROTABFISTKQW-ZDUSSCGKSA-N 333.815 4.500 0 50 EIAA Cc1ccccc1Oc1ncccc1CNC[C@@H]1CCOC(C)(C)C1 12438724 JIMAOTAHEYSCLX-QGZVFWFLSA-N 340.467 4.477 0 50 EIAA Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2Cl)no1 13326259 DPQTZHOOTJUEDC-UHFFFAOYSA-N 329.183 4.086 0 50 EIAA CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ncccc1C 13331687 DHHOTBDJJNHHON-CYBMUJFWSA-N 339.222 4.493 0 50 EIAA Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 17945443 JKYIUIDVQWXESB-UHFFFAOYSA-N 328.462 4.297 0 50 EIAA Cc1nn(C)c(C)c1-c1ccnc(NCc2ccc3sccc3c2)n1 20600640 WOIQXOLYHCUOHV-UHFFFAOYSA-N 349.463 4.321 0 50 EIAA CN(CCc1ccccc1)[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 20999076 UGCGHCYNODRLDK-QFIPXVFZSA-N 347.506 4.307 0 50 EIAA Cc1nn(C)cc1-c1ccnc(NCc2cc(Cl)ccc2Cl)n1 48159202 OENBMQISYYEHRK-UHFFFAOYSA-N 348.237 4.104 0 50 EIAA Cc1ccncc1C(=O)Nc1ccccc1OCCOc1ccccc1 55414407 ZBGNIPDTIDANGM-UHFFFAOYSA-N 348.402 4.100 0 50 EIAA Cc1ccc2c(C(=O)N3CCCC3)cc(-c3cnn(C(C)C)c3)nc2c1 63881664 NZGRKCQCBVSKFQ-UHFFFAOYSA-N 348.450 4.224 0 50 EIAA C[C@H](NC(=O)CCn1ccc2cc(Cl)ccc21)c1cncs1 170607757 FLYVPOLYPLCYQC-NSHDSACASA-N 333.844 4.019 0 50 EIAA Cc1cc2ncn(C[C@H](O)CSCc3ccccc3C)c2cc1C 170631634 YGUJAUVIYVUXKA-SFHVURJKSA-N 340.492 4.256 0 50 EIAA O=C(c1cccn1Cc1cccs1)N1CCCc2ccccc2C1 170948471 DBVVFELTSOOEFX-UHFFFAOYSA-N 336.460 4.187 0 50 EIAA C[C@H](N[C@@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2s1 184367509 MCGHRLKZGQDIDU-KBPBESRZSA-N 349.463 4.289 0 50 EIAA O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc2[nH]ccc2c1 329339061 NMYJLSHGVTTWHY-IBGZPJMESA-N 348.450 4.287 0 50 EIAA CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1nc(C)sc1C 353552964 ABOGEGXZIVDQQA-YQVWRLOYSA-N 330.497 4.201 0 50 EIAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)cc1 426503066 QWQMKCBAGWKRNL-SFHVURJKSA-N 345.874 4.097 0 50 EIAA Cc1ccn(-c2ccccc2CN[C@H](C)c2ccc(C(F)F)nc2)n1 657924931 JXJUXCYMTQLCKH-CQSZACIVSA-N 342.393 4.364 0 50 EIAA COC(=O)Nc1cccc(OCCCOc2ccc(Cl)cc2)c1 915799140 YWSQDQLAFGGFFO-UHFFFAOYSA-N 335.787 4.366 0 50 EIAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)N(CC)Cc1ccc(C)o1 952867118 JDWIHKMFIWWKMH-AWEZNQCLSA-N 342.439 4.235 0 50 EIAA Cc1ccccc1-c1ncc(CN2CCC[C@@H](c3cc[nH]n3)C2)s1 1529154098 HGSHHJDFPQRHTM-OAHLLOKOSA-N 338.480 4.221 0 50 EIAA CCCc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C3(O)CC3)cc2)cc1 1772815361 IOMYEHRLGFTEDJ-OAQYLSRUSA-N 349.474 4.436 0 50 EIAA Fc1ccc(/C=C/c2nc(SCCCc3ccncc3)n[nH]2)cc1 2325736533 VVDFQOKKRAUSOZ-VMPITWQZSA-N 340.427 4.234 0 50 EIAA O=S(=O)(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 67889 OIAXEHUJJBRCLZ-UHFFFAOYSA-N 337.444 4.078 0 50 EIAA CCOC(=O)C1=C(NC(=S)Nc2ccccc2)CC2=C1CCCC2 122785 KTQLCJNJAWZAJD-UHFFFAOYSA-N 342.464 4.065 0 50 EIAA FC(F)(F)c1cc(-c2ccncc2)nc2cc(-c3ccccc3)nn12 170923 ROKRLCWLBIQUSS-UHFFFAOYSA-N 340.308 4.477 0 50 EIAA Fc1cccc(Cn2cc(NC(=S)NC3CCCCCC3)cn2)c1 2802151 XLLVSMFQEPFKKY-UHFFFAOYSA-N 346.475 4.080 0 50 EIAA Cc1ccc(N2C(=O)c3ccccc3[C@@]2(O)Cc2ccccc2)cc1 2857445 GSUQJDDJNCUTFI-QFIPXVFZSA-N 329.399 4.043 0 50 EIAA Cc1ccc(C)c(NC(=O)C[C@H](C(=O)O)[C@@H](C)c2ccccc2)c1 3191754 CBSPWPMVKJUHTL-RDJZCZTQSA-N 325.408 4.137 0 50 EIAA CCCNC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12 4904855 XXYDGYOQRGGLHM-UHFFFAOYSA-N 346.430 4.161 0 50 EIAA COc1ccccc1NC(=O)Nc1nnc(CC2=CCCCC2)s1 8738246 BQMDITFHHZTTCS-UHFFFAOYSA-N 344.440 4.234 0 50 EIAA CCc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)o1 12836568 BUVDNAZOIFECRT-ZDUSSCGKSA-N 327.403 4.326 0 50 EIAA CC(=O)c1ccc(NC(=S)NCCc2cccc(Cl)c2)cc1 13519821 CUZBACHHWQECIQ-UHFFFAOYSA-N 332.856 4.072 0 50 EIAA Cc1cccc(-c2ccc(N3CCC(NCc4ccno4)CC3)cc2)c1 20534583 JCRKSQGINJSFGE-UHFFFAOYSA-N 347.462 4.409 0 50 EIAA CC(=O)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N 36360615 QWEYIGIREOLWSZ-UHFFFAOYSA-N 337.326 4.162 0 50 EIAA CCCN(C/C=C/c1ccccc1)C(=O)Cc1nc(C)sc1C 55182762 KGMOJNJVZGOTPV-DHZHZOJOSA-N 328.481 4.254 0 50 EIAA CC(C)[C@@H](C)N(Cc1ccco1)C(=O)Cc1ccc(O)c(Cl)c1 55227095 UFUDXEZTLJHLSA-CYBMUJFWSA-N 335.831 4.254 0 50 EIAA CCOc1ccc2ccccc2c1CN1CCO[C@@H](C(F)(F)F)C1 71763179 UJJLVTXZWLYDGC-QGZVFWFLSA-N 339.357 4.002 0 50 EIAA CC(C)(C)N(Cc1ccccc1)C[C@@H](O)Cc1ccc2ccccc2n1 71767417 ININYCUHIGCQCT-NRFANRHFSA-N 348.490 4.439 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1C/C=C/[C@@](O)(c1ccccc1)c1ccccn1 96028194 YOGCIXBRKGGRLY-BSRDEGCASA-N 336.479 4.137 0 50 EIAA COC(=O)[C@@]12N=NC(c3ccccc3)(c3ccccc3)[C@@]1(C)C2(C)C 103604889 BNLSWDBNYNFCTH-CTNGQTDRSA-N 334.419 4.354 0 50 EIAA CCC(C)(C)C1CCC(CC(=O)N2CCC[C@H]2c2nncn2C)CC1 253392159 FBJGYGDGGXGAKG-JCYILVPMSA-N 346.519 4.111 0 50 EIAA CCN(C(=O)Nc1nc(C2CCOCC2)cs1)C1CC(C)(C)C1 333947019 VFFFVJDHCQWJMU-UHFFFAOYSA-N 337.489 4.080 0 50 EIAA Clc1ccc2c(-c3csc(O[C@H]4CCOC4)n3)ccnc2c1 863974946 YBQXNBXSTFLFML-NSHDSACASA-N 332.812 4.179 0 50 EIAA O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cccc(F)n1 1320967809 RNBSNGIPDPARFR-UHFFFAOYSA-N 338.367 4.078 0 50 EIAA CSc1cccc(CN(C(=O)[C@@H](O)c2cccc(F)c2)C(C)C)c1 1506398989 JISXEZRCXRMFEY-SFHVURJKSA-N 347.455 4.018 0 50 EIAA CN(CCOc1ccccc1)Cc1ccc2c3c(cccc13)C(=O)OC2 1529188785 CWKWVBQJYZVTKO-UHFFFAOYSA-N 347.414 4.021 0 50 EIAA COc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 203214 BFATUAFJWKATIK-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 453556 NVAKLRAOYIZTGS-XNTDXEJSSA-N 344.414 4.474 0 50 EIAA COc1ccccc1/C=C/C(=O)N1CCC(Cc2ccccc2)CC1 460428 FQOFAQHSSRXESE-VAWYXSNFSA-N 335.447 4.190 0 50 EIAA O=C(Nc1nnc(-c2ccccc2)s1)c1csc2c1CCCC2 2770436 BYXMTIRLQYKMHE-UHFFFAOYSA-N 341.461 4.398 0 50 EIAA Cc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 4503001 FTZQFZNXIYMZLG-UHFFFAOYSA-N 348.280 4.025 0 50 EIAA c1cncc(CN(CC2CC2)C[C@H]2CCCN(C3CCCCC3)C2)c1 12320876 SFPJFERMKJCDCN-OAQYLSRUSA-N 341.543 4.338 0 50 EIAA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)C2CCCCC2)cc1 12401073 UHVLEDPNVXMXSC-QGZVFWFLSA-N 331.456 4.196 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1 12404360 CBMBFQMGBDCNJF-UHFFFAOYSA-N 343.814 4.220 0 50 EIAA Cc1ccccc1[C@H](CC(=O)NCCc1cccnc1)c1ccccc1 12443099 LWDKMSJZEFGWNE-JOCHJYFZSA-N 344.458 4.271 0 50 EIAA CCOc1ccc2ccccc2c1C(=O)Nc1cccc(NC(C)=O)c1 13327845 PECITSXCDMDTBG-UHFFFAOYSA-N 348.402 4.449 0 50 EIAA CC[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 13330153 DBRKIFMTFWNOLP-AWEZNQCLSA-N 345.798 4.048 0 50 EIAA CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Nc1ccccc1 65364408 NCJGAZBPGQLTCU-UHFFFAOYSA-N 342.786 4.054 0 50 EIAA CCN(C)c1ccc(-c2c(-c3ccccc3)ncn2CCCNC)cc1 65536038 HXGFCULJEOAQBH-UHFFFAOYSA-N 348.494 4.283 0 50 EIAA CCOc1ccc(CN(Cc2ccc(-c3ccn[nH]3)o2)C2CC2)cc1 67756069 OQJFYGJMBRGZKD-UHFFFAOYSA-N 337.423 4.233 0 50 EIAA CCCn1cnnc1Cn1ccnc1-c1c(C)sc2ccccc12 71762224 QXOCELPTTVDJFZ-UHFFFAOYSA-N 337.452 4.123 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)N(C)Cc3nccs3)c(C)c2c1 77503725 CNHJONMGMFVAPU-UHFFFAOYSA-N 334.828 4.432 0 50 EIAA CN(C(=O)Nc1ccccc1OCc1ccco1)C1CCSCC1 95500691 HHWNXFUZTSFGGK-UHFFFAOYSA-N 346.452 4.218 0 50 EIAA COc1cccc2c1CCCCN2C(=O)C[C@H](C)c1c(C)noc1C 129171810 TXMREUFPLFKAMK-ZDUSSCGKSA-N 342.439 4.163 0 50 EIAA CCCn1nccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl 165552908 ACAMWBJWZPGHFK-UHFFFAOYSA-N 340.814 4.261 0 50 EIAA O=C1CCCc2ccc(NCc3nc(-c4ccccc4F)no3)cc21 187506764 PHFVRHHVFIQIAJ-UHFFFAOYSA-N 337.354 4.007 0 50 EIAA Cc1nc(-c2ccc(NC(=O)c3ncc(F)cc3F)cc2)cs1 192094433 OXZJJUFFAIKYSK-UHFFFAOYSA-N 331.347 4.044 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 257346354 YQMXIAABFQDHTC-UCIXUQDCSA-N 334.500 4.322 0 50 EIAA NC1(c2noc([C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)n2)CCCC1 261878221 WAJPPUOGOYWNQJ-QWHCGFSZSA-N 337.345 4.088 0 50 EIAA Cc1ccc2c(c1)CC[C@H](c1nc(-c3c(C)nsc3C)no1)O2 330226984 PACUPTYKFNQNFK-CQSZACIVSA-N 327.409 4.185 0 50 EIAA Cn1c(-c2ccc(Oc3cnccn3)cc2)nc2cc(Cl)ccc21 438824364 CYESXCLYGSPWAC-UHFFFAOYSA-N 336.782 4.476 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1 480065591 FSJLMTSPAJGRJV-HNNXBMFYSA-N 336.435 4.169 0 50 EIAA Cc1nc(CN2CCC3(CCC(CC(=O)O)CC3)CC2)sc1C 1777498919 RONJCSRQPHIIEB-UHFFFAOYSA-N 336.501 4.007 0 50 EIAA Cc1ccc2ncccc2c1-c1nccn1CCCc1ccccn1 1857686658 BBSZBYYIMPRRGN-UHFFFAOYSA-N 328.419 4.435 0 50 EIAA COCC1(Cn2ccnc2-c2ccc3cccc(F)c3n2)CCC1 1857688268 ZQZJXFGKSYLYBP-UHFFFAOYSA-N 325.387 4.054 0 50 EIAA C[C@H]1C[C@@H](N[C@H](C)[C@]2(C)CC2(F)F)C[C@@H](C)N1Cc1ccccc1 1875408372 UMLQXDLNOYOSHC-LHHMMCJZSA-N 336.470 4.451 0 50 EIAA COc1ccc(C(=O)N2CCCc3ccccc32)cc1Br 38883 YZQXDXWLJMPIGJ-UHFFFAOYSA-N 346.224 4.051 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1C 98185 SEXLPPIWECPESM-UHFFFAOYSA-N 325.408 4.369 0 50 EIAA CCC(NC(=O)Nc1cccc(C)c1)(C(F)(F)F)C(F)(F)F 290400 PJMUKUDDSBSRFQ-UHFFFAOYSA-N 328.256 4.390 0 50 EIAA biogenic Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C)s1 305387 IMQLEJRGAYVVPC-UHFFFAOYSA-N 338.432 4.444 0 50 EIAA Cc1cc(Nc2cccc(C(F)(F)F)c2)nc(-n2nc(C)cc2C)n1 495052 NIPNFZCCCATPKC-UHFFFAOYSA-N 347.344 4.350 0 50 EIAA CCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1OC 2864526 NIGKZUMXBPBFHD-UHFFFAOYSA-N 347.842 4.458 0 50 EIAA CC(=O)Oc1c(C)cc(-c2cc(C)c(OC(C)=O)c(C)c2)cc1C 4826003 LMLZWVLDNOFEBU-UHFFFAOYSA-N 326.392 4.438 0 50 EIAA Cc1ccc(-n2c(C)c(C)c3c(NCc4cccnc4)ncnc32)cc1 6671733 VGAXNNQADJDPFZ-UHFFFAOYSA-N 343.434 4.353 0 50 EIAA CC(C)OCc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 8914040 UCIAEKVNXONDRD-UHFFFAOYSA-N 338.451 4.120 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(CC)cc2)c1 9230875 IJTKSUMQNZWRRB-CQSZACIVSA-N 340.423 4.004 0 50 EIAA O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccccc1Cl 35476395 PICLNQMUQNVWNZ-HNNXBMFYSA-N 329.783 4.046 0 50 EIAA Cc1cccc(NC(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)c1 95528518 BRUSDRBJFXVKNK-KRWDZBQOSA-N 338.455 4.013 0 50 EIAA Cc1ccc2c(c1)OCCN2Cc1nnc(-c2cccc(Cl)c2)o1 126524951 GSWOBUURCXCAGC-UHFFFAOYSA-N 341.798 4.097 0 50 EIAA Cc1oc2nc(CN[C@H](CC(C)C)c3ccccc3)nc(N)c2c1C 170591650 ZJDXDWJRJBTLIB-MRXNPFEDSA-N 338.455 4.299 0 50 EIAA COc1cccc(SCC(=O)N2CC[C@H](C)c3cccc(O)c32)c1 170597413 MNUJWDJGBUSFEO-ZDUSSCGKSA-N 343.448 4.033 0 50 EIAA O=C(Nc1ccc(Cl)cc1)C(Cl)(Cl)C(=O)c1ccccc1 238854485 NYVXFUCPSANXPE-UHFFFAOYSA-N 342.609 4.335 0 50 EIAA CN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@H](c1ccc(Cl)cc1)c1cccnc1 245316876 LAFBKDIAPSSYEF-YDZRNGNQSA-N 340.854 4.329 0 50 EIAA Fc1cccc(F)c1CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 247560342 YQXOABLFXYUKNB-PMACEKPBSA-N 334.454 4.194 0 50 EIAA COCc1csc(-c2ccc(NC(=O)c3cccs3)cc2)n1 408515325 TTWHVBICHCIRSO-UHFFFAOYSA-N 330.434 4.270 0 50 EIAA Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@H]2CC2(C)C)s1 534582797 MXLSAMQYWIMLHR-MRXNPFEDSA-N 343.496 4.209 0 50 EIAA C[C@H](NC(=O)NC[C@@H]1CCOC1(C)C)c1cc(Cl)ccc1Cl 660505979 WYOBHWOJJGJXKQ-QWRGUYRKSA-N 345.270 4.169 0 50 EIAA Cc1cc(NC(=O)N2CCC[C@]2(C)Cc2cccs2)nn1C(C)C 931779657 NQQWVHSCKLVERO-GOSISDBHSA-N 346.500 4.463 0 50 EIAA CCc1nccc(C)c1NC(=O)N1Cc2ccccc2OC(C)(C)C1 934477169 GTKAFFORQXYBHL-UHFFFAOYSA-N 339.439 4.158 0 50 EIAA CC[C@@H]1C[C@@]1(NC(=O)CCSc1ccccn1)c1cccc(C)c1 1875322122 IZEXDSJNLNEEMK-UZLBHIALSA-N 340.492 4.314 0 50 EIAA O=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(F)cc2)c1 1875322743 FHBNQKMTFNQNKH-UHFFFAOYSA-N 335.334 4.443 0 50 EIAA COC(=O)c1ccc2ncnc(N[C@H](C)[C@H]3CCCC[C@H]3C)c2c1 2325839926 JOZFKGSESNACKP-NFAWXSAZSA-N 327.428 4.043 0 50 EIAA O[C@H](CNCc1cccc2cc(Cl)ccc12)Cc1ccc(F)cc1 2325841707 DNORACQCCSTACP-IBGZPJMESA-N 343.829 4.326 0 50 EIAA Cc1ccc(CN2C(=O)c3ccccc3[C@]2(O)Cc2ccccc2)cc1 112279 SWIQDEUMURMNTF-HSZRJFAPSA-N 343.426 4.039 0 50 EIAA CCOC(=O)c1c(C)n(CCCc2ccccc2)c2ccc(O)cc12 306575 YUWFWHVGFOBKSP-UHFFFAOYSA-N 337.419 4.465 0 50 EIAA Clc1cccc(Cl)c1-n1cnnc1-c1nc2ccccc2[nH]1 401000 HXFOJQXUFHHYGQ-UHFFFAOYSA-N 330.178 4.117 0 50 EIAA CCOC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)c(C)c3)nc12 2747726 OEOLTWWBIQSCCL-UHFFFAOYSA-N 345.349 4.127 0 50 EIAA O=C(c1ccc(F)cc1)n1cc(C(=O)C(F)(F)F)c2ccccc21 2818435 YJRSWXCUPYPPQS-UHFFFAOYSA-N 335.256 4.214 0 50 EIAA CCOc1ccccc1OCCOCCOc1cccc(Cl)c1 2985337 PDTNTWYUOQQIBE-UHFFFAOYSA-N 336.815 4.213 0 50 EIAA Oc1cc2ccccc2cc1-c1nnc(S)n1Cc1ccccc1 6557645 BOSZPBSBBWBWEU-UHFFFAOYSA-N 333.416 4.141 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCc1ccncc1 12307412 AGMKKGOVTMDLBW-IBGZPJMESA-N 334.394 4.059 0 50 EIAA Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 13744453 CXYJDHBAMDBSJV-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA COc1c(F)ccc(C(=O)N(Cc2ccsc2)CC(C)C)c1F 55120110 JFZZQFRYYGSWCX-UHFFFAOYSA-N 339.407 4.333 0 50 EIAA CC[C@@H](C)N(Cc1ccc(Sc2nncn2C)o1)C1CCCC1 63869903 ZNJGNVZYNGOYQR-CYBMUJFWSA-N 334.489 4.102 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CCCC[C@H]1c1cccnc1 72125315 FUCPTLGTUVIZDY-SFHVURJKSA-N 333.391 4.104 0 50 EIAA Cc1cccc([C@@H](C)n2cc(-c3ccc(C)c4ncccc34)nn2)n1 91951681 NFXDFLVFOLHYLR-OAHLLOKOSA-N 329.407 4.114 0 50 EIAA COCCC[C@@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1Cl 95371386 RJVRHQYELOVPIW-ZDUSSCGKSA-N 334.847 4.243 0 50 EIAA CN(CCSc1ccccc1)C(=O)c1ccc2ncsc2c1 97775467 UVKLFHDHIDALPR-UHFFFAOYSA-N 328.462 4.161 0 50 EIAA O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCC2(CCC2)C1 152844636 JNDZOVZVFPLEHQ-INIZCTEOSA-N 344.455 4.042 0 50 EIAA Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 156513944 QNUCZLMIWJTLHR-JKSUJKDBSA-N 349.459 4.280 0 50 EIAA Cc1nc2ccccc2nc1NC[C@@H](O)c1c(Cl)cccc1Cl 170637179 XJUNWWMTULWCQU-OAHLLOKOSA-N 348.233 4.391 0 50 EIAA CSc1ccccc1C(=O)Nc1c(F)cccc1N1CCCC1 171749457 LMOCDXLDTTWERF-UHFFFAOYSA-N 330.428 4.400 0 50 EIAA CC(C)c1cnc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)s1 172677361 CBYURAZLKBORQE-UHFFFAOYSA-N 348.443 4.093 0 50 EIAA O=C(Nc1c(F)cccc1NC1CC1)c1ccccc1Br 174494411 KVKAYDPAVAVMSP-UHFFFAOYSA-N 349.203 4.415 0 50 EIAA CCn1ncc2ccc(NC(=O)N[C@H]3CCCc4sccc43)cc21 185284062 PHFHJULQEJYVDE-HNNXBMFYSA-N 340.452 4.317 0 50 EIAA COc1ccc2nc(S[C@H](C)C(=O)c3ccc(F)cc3F)[nH]c2c1 247952861 MPBBYQZCBZTZEP-SECBINFHSA-N 348.374 4.213 0 50 EIAA CC(C)c1cc(CN(C)C(=O)CSc2ccc(Cl)cc2)on1 252497505 QJPZJCRGFCXVFI-UHFFFAOYSA-N 338.860 4.202 0 50 EIAA C[C@@H]1C[C@@H](NCC(C)(C)C2(O)CCOCC2)C[C@H](c2ccccc2)C1 417381909 NCYSIYOSSVQXAC-DFQSSKMNSA-N 345.527 4.116 0 50 EIAA CC(C)n1ccnc1-c1cccc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 426613589 HIYRQWCKNRBYJN-KDURUIRLSA-N 335.451 4.169 0 50 EIAA CC[C@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1ccnn1C 534676283 OBJWISWSVKCINI-INIZCTEOSA-N 346.500 4.087 0 50 EIAA O=C(c1occc1-c1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 684992032 PKOZVPCVHXKQJP-GUDVDZBRSA-N 339.435 4.102 0 50 EIAA Oc1nc2ccc(-c3c(Cl)cccc3OC(F)(F)F)cc2[nH]1 685939947 COBXSLRIXGQVGS-UHFFFAOYSA-N 328.677 4.488 0 50 EIAA C[C@@H](NCc1cc(F)cc(Cl)c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952985663 XHYHAWGCGPTNQR-GXWINHCRSA-N 337.866 4.289 0 50 EIAA Cc1ccc(CNC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 1775971659 ZIWXMTLLUDXGNQ-LJQANCHMSA-N 344.458 4.254 0 50 EIAA CCOC(Cn1c(-c2ccc(OC)cc2)nc2ccccc21)OCC 308067 MHKVOLZJZBSBAY-UHFFFAOYSA-N 340.423 4.111 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2Cl)cc1 399725 CJEBJDRUWCOHSY-UHFFFAOYSA-N 348.786 4.169 0 50 EIAA Cc1ccccc1C(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1O 456105 RGWACYKLSAEHLM-UHFFFAOYSA-N 342.464 4.125 0 50 EIAA CCc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1 2713325 TUKDUIYHODMUCS-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA O=C(/C=C/c1ccccc1)NCCSCc1cccc(Cl)c1 4702142 GBVSEUUJNXGSFZ-MDZDMXLPSA-N 331.868 4.403 0 50 EIAA O=C(O)c1cc(Cl)ccc1OCc1ccc(Br)cc1 7603928 SXJYAFNCLLJTTA-UHFFFAOYSA-N 341.588 4.380 0 50 EIAA CCOc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 13957963 QITMCUHSSYQVSN-UHFFFAOYSA-N 342.826 4.193 0 50 EIAA CCOCc1nc(=S)[nH]c(O)c1Cc1ccc(OCC(C)C)cc1 15985617 NYFMKODFZHUVRW-UHFFFAOYSA-N 348.468 4.007 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1CCn1cccn1 72158517 AJJGWTCBAKJJFB-HNNXBMFYSA-N 346.862 4.322 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](COc3ccccc3C)C2)c(F)c1 77378424 YZNBGYVMTDCELK-QGZVFWFLSA-N 341.426 4.374 0 50 EIAA CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 77440744 GQTMKFGSTJCBMS-GOSISDBHSA-N 342.414 4.005 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N[C@@H](CC)c3nc(C)c[nH]3)c2c1 77504981 IBXOLEANPQJQQK-KRWDZBQOSA-N 336.439 4.018 0 50 EIAA Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N(C)c1ccccc1 121518995 RJSZVZKTZRSQED-UHFFFAOYSA-N 325.799 4.315 0 50 EIAA C[C@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CC[C@]1(O)C1CC1 212744285 XZFXHCFWSPKYRG-HTAPYJJXSA-N 337.463 4.462 0 50 EIAA CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CCCN1c1ccccc1 225591635 ONYFXWKNVGHYKR-IBGZPJMESA-N 334.419 4.060 0 50 EIAA Cn1cncc1-c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1 426563120 SJFCMJWRKMQBLR-FQEVSTJZSA-N 345.446 4.107 0 50 EIAA Cc1cccc(C2(NC(=O)Nc3cc4nc[nH]c4c(C)c3C)CC2)c1 426690553 IHJWZLMRDGORPM-UHFFFAOYSA-N 334.423 4.299 0 50 EIAA O=C(Nc1ncc(Oc2ccccc2)cn1)C1CCC(F)(F)CC1 1355143836 ITJIGUFTRVCHQH-UHFFFAOYSA-N 333.338 4.033 0 50 EIAA Cc1ccc(-c2cc(-c3nc(C[C@@]4(C)CC4(F)F)no3)n[nH]2)cc1 1875267546 ONTCSCSULCJMBA-INIZCTEOSA-N 330.338 4.023 0 50 EIAA O=C(Cc1cccc(Cl)c1)Nc1cc(C2CC2)c(C(=O)O)s1 1875292196 ZXNCUQMSQRKDMM-UHFFFAOYSA-N 335.812 4.158 0 50 EIAA C[C@@H](NC(=O)c1ccc2sncc2c1)c1cccc(OC(F)F)c1 1875324922 OAXVYOCUTNCUQE-SNVBAGLBSA-N 348.374 4.389 0 50 EIAA COc1ccc([C@H]2CCN(C(=O)NCC(C)(C)C3CC3)[C@@H]2C)cc1F 1875358135 KUVDVGVHMNQBIR-CJNGLKHVSA-N 348.462 4.158 0 50 EIAA Cc1cnn(C2CCN(Cc3cccc(-c4cccs4)n3)CC2)c1 2325788398 CIOCBCRQDZUKBD-UHFFFAOYSA-N 338.480 4.152 0 50 EIAA FC(F)(F)c1ccn2cc(C3(c4ccccc4)CCNCC3)nc2c1 2356159189 PYCRQBCJAUSOIQ-UHFFFAOYSA-N 345.368 4.023 0 50 EIAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N(C)C)cc2)c1 45054 MFJOBRRLNTUZIE-UHFFFAOYSA-N 326.440 4.202 0 50 EIAA CCOc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1O 124202 HQACKSMDOMZMFQ-QGZVFWFLSA-N 333.387 4.418 0 50 EIAA O=C1c2ccccc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 138771 GEXKEKIFODXLAZ-UHFFFAOYSA-N 340.338 4.295 0 50 EIAA O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1cccs1 174156 SOTPNLUJQMILMW-UHFFFAOYSA-N 338.457 4.127 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1 581753 RQUBUMNNQRRZMO-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA COC(=O)c1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1 1738354 GUDRLKWKZBPOOQ-UHFFFAOYSA-N 338.285 4.136 0 50 EIAA CC(=O)Nc1ccc(-c2csc(NCCc3ccccc3)n2)cc1 2861718 RDVIOVXCTHMRHD-UHFFFAOYSA-N 337.448 4.423 0 50 EIAA CCCCC[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O 4655425 SYAWGTIVOGUZMM-JHIAIUNDSA-N 338.488 4.382 0 50 EIAA endogenous,in-man CC(C)c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(N)o2)cc1 5413852 YAQCVSVGPVNVJW-UHFFFAOYSA-N 345.406 4.295 0 50 EIAA CCCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 6165337 NPBRMNOSEVJPSY-UHFFFAOYSA-N 340.448 4.378 0 50 EIAA CCc1cc(=O)oc2cc(OC(=O)c3ccccc3)c(Cl)cc12 6398271 NUBPYYZATSYVEP-UHFFFAOYSA-N 328.751 4.228 0 50 EIAA Cc1ccccc1C[C@]1(CO)CCCN(Cc2ccccc2Cl)C1 11816416 RFPPJDMWKOEHNR-OAQYLSRUSA-N 343.898 4.466 0 50 EIAA Cc1csc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)n1 11907436 UNEZKWBLZQXROM-GFCCVEGCSA-N 343.477 4.427 0 50 EIAA Cc1cccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)c1 18284334 VBXFSEHFHNVPRL-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA CCSc1ccccc1NC(=O)[C@H]1CCCN(c2ccccn2)C1 55704609 BCBKIJNISQBUOU-HNNXBMFYSA-N 341.480 4.049 0 50 EIAA Cc1nc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)c(C)o1 71681432 CQSOJJVXIISYTK-CQSZACIVSA-N 348.393 4.055 0 50 EIAA O=C(Cc1ccccc1)[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 72406768 DCVXSGAFZWIEPK-HXUWFJFHSA-N 344.458 4.259 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N3CC(Oc4ccccc4)C3)c2c1 77522168 DIRAFHZTGATWHF-UHFFFAOYSA-N 346.430 4.009 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1CC(=O)NC(c1ccccc1)c1ccccc1 96027624 VAIZWCXLYIRZSI-QZTJIDSGSA-N 336.479 4.155 0 50 EIAA Clc1cccc(-c2noc(C[C@H]3OCCc4ccccc43)n2)c1 115178022 FQUCCRPYASVZJL-MRXNPFEDSA-N 326.783 4.247 0 50 EIAA C[C@@H](CC(=O)N(C)c1ccccn1)c1ccc(Br)cc1 158310101 RSRFNKFQBZGQNT-LBPRGKRZSA-N 333.229 4.001 0 50 EIAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc2ccccc2s1 190426626 QAUAWSXUOMOWPJ-WMZOPIPTSA-N 341.480 4.128 0 50 EIAA COc1ccccc1[C@@H]1CCCN1C(=O)c1nc(C(C)C)cs1 215673605 BALSZVISTMFHII-HNNXBMFYSA-N 330.453 4.252 0 50 EIAA CC(C)[C@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 248174661 UYKZENZPHNDGRF-QRWLVFNGSA-N 342.508 4.181 0 50 EIAA O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCCCC[C@@H]1c1ncon1 248493706 PMWJUPVICPVVIB-MWDXBVQZSA-N 331.460 4.120 0 50 EIAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cc(C)cc(CN)c3)C2)cc1 424428633 UOTACQSPFIFYEU-APWZRJJASA-N 337.467 4.172 0 50 EIAA CC1(O)CCC(Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 825504435 RYBRIMDHTXRUEV-UHFFFAOYSA-N 346.858 4.420 0 50 EIAA O=C(O)C[C@@H](c1ccccc1)C1CCN(Cc2ccc(Cl)o2)CC1 901599672 MPKGIRBJHVKNAD-KRWDZBQOSA-N 347.842 4.404 0 50 EIAA C[C@@H](NCc1ccnc2ccccc12)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952861489 HHCIBURHMUABMW-VQHMHIIYSA-N 336.479 4.044 0 50 EIAA COc1ccc(/C=C/CN[C@@H]2CCCN(Cc3cccs3)C2)cc1 952964609 OKPTUNQPPQDYOT-PSQUURQMSA-N 342.508 4.024 0 50 EIAA Clc1ccccc1-c1ccc(CN2CC[C@@H]3NCCC[C@@H]3C2)o1 1237385011 ZDKHOGYSMALESD-KDOFPFPSSA-N 330.859 4.174 0 50 EIAA CCc1c(-c2ccc3n[nH]cc3c2)cnc(N)c1-c1ccc(O)cc1 1772572703 ZHYXJQQBKROZDX-UHFFFAOYSA-N 330.391 4.142 0 50 EIAA FC(F)(F)c1cc(C(F)(F)F)n2nc(-c3ccccc3)cc2n1 128308 HWUAAKUUJSUKTE-UHFFFAOYSA-N 331.219 4.434 0 50 EIAA O=C1C[C@H](C(=O)Nc2cccc3ccccc23)[C@@H](c2ccccc2)O1 185790 PNQDRKCQFACHSQ-FXAWDEMLSA-N 331.371 4.083 0 50 EIAA Cc1nc(NC(=O)c2cc3ccccc3o2)ccc1Br 359975 MSDYLFDCWGCQAT-UHFFFAOYSA-N 331.169 4.151 0 50 EIAA CCCC(=O)Nc1ccc(NC(=O)COc2ccc(CC)cc2)cc1 444690 WEGHMKTUKKFSOY-UHFFFAOYSA-N 340.423 4.005 0 50 EIAA CCOC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1C 453181 HJUQEHMVHMIPBW-UHFFFAOYSA-N 325.433 4.435 0 50 EIAA COc1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)cc1 471679 LNSBICNQXKUSGQ-UHFFFAOYSA-N 325.195 4.324 0 50 EIAA CCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1C(=O)OC 476497 VCHWMCJEYROEGH-UHFFFAOYSA-N 347.436 4.057 0 50 EIAA COc1ccc(CC(=O)Oc2c(C)cc(Br)cc2C)cc1 556140 YQZBCWBKAJALPZ-UHFFFAOYSA-N 349.224 4.223 0 50 EIAA O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccccc1F 2786263 FCPZITJBTYHNIM-UHFFFAOYSA-N 338.310 4.289 0 50 EIAA Cc1cc(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc1C(C)C 5073660 FEHSPDGIMNPGSF-PKOBYXMFSA-N 327.468 4.209 0 50 EIAA Cc1cnc(NC(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)s1 13327270 NSNNSZWCDRQHSE-MRVPVSSYSA-N 331.224 4.164 0 50 EIAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 13745296 NQOCQZZPOJTCHS-JTQLQIEISA-N 325.195 4.103 0 50 EIAA Clc1cccc(-c2cnnc(NCc3cccc4[nH]ccc34)n2)c1 14962976 JVGCEACZFULASO-UHFFFAOYSA-N 335.798 4.285 0 50 EIAA CCCCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2ccccc21 20828964 ZPXGKZHPPIXANO-UHFFFAOYSA-N 341.842 4.259 0 50 EIAA CC(C)(C)CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67459752 SAPVGDKIUJSKJJ-UHFFFAOYSA-N 334.366 4.205 0 50 EIAA Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](C(F)(F)F)C1 71589654 XCSODRGXPIQQLI-QGZVFWFLSA-N 349.352 4.065 0 50 EIAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1nc2ccccc2s1 241277693 LIJLJZKPKBZBHI-NSHDSACASA-N 343.374 4.491 0 50 EIAA C[C@H](NC(=O)CN1CC(C)(C)[C@H]1c1cccs1)c1ccc(F)cc1 253419782 IGUHDHLVAMVZBW-SCLBCKFNSA-N 346.471 4.148 0 50 EIAA Cc1nc(C2CC2)oc1C(=O)N[C@](C)(c1ccccc1)C(F)(F)F 253420452 XJTMXBHMSKILQZ-MRXNPFEDSA-N 338.329 4.068 0 50 EIAA CN1CCN(Cc2cc3c(O)cccc3s2)[C@H](c2ccccc2)C1 1204146531 WDNGPWLJOBJMGZ-SFHVURJKSA-N 338.476 4.096 0 50 EIAA CC(C)c1noc([C@H](C)NCc2cccc(OC3CCCC3)c2)n1 1506431662 UIHBNQUATAPXFB-AWEZNQCLSA-N 329.444 4.365 0 50 EIAA c1ccc(-c2ncc3c(n2)[C@@]2(CCCN(Cc4ccoc4)C2)CC3)cc1 1704325779 QWPOUBJFLJFCBW-QFIPXVFZSA-N 345.446 4.217 0 50 EIAA C[C@H](CCc1ccc(F)c(F)c1)NC(=O)c1cccc2cnccc12 2325713448 OIIBRCVFZZCJKF-CYBMUJFWSA-N 340.373 4.264 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc(C)cc2s1 35357 ZGWIFYYJEIUPRL-OAHLLOKOSA-N 326.421 4.401 0 50 EIAA Oc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 250323 QEDAUAAKQPELDZ-UHFFFAOYSA-N 332.363 4.284 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1ccccc1 304220 OPASUXZOCHTZLH-UHFFFAOYSA-N 340.810 4.276 0 50 EIAA CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1Br 310708 WRZGUIBPKJJCDB-UHFFFAOYSA-N 338.176 4.239 0 50 EIAA O=C(CCCCC(=O)OCc1ccccc1)OCc1ccccc1 1841210 AEUORZZHALJMBM-UHFFFAOYSA-N 326.392 4.034 0 50 EIAA Clc1ccc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 4981376 PGXGCMIXIGLGBC-HXUWFJFHSA-N 326.871 4.020 0 50 EIAA Cc1ccc(OC(=O)CSc2nnc(-c3cccs3)o2)c(C)c1 8587384 HXANZGRHNKJVOL-UHFFFAOYSA-N 346.433 4.113 0 50 EIAA Cc1ccc(CNc2cc(C)nc3nc(-c4ccc(C)cc4)nn23)cc1 8609631 MEIUFUPWVPDSGG-UHFFFAOYSA-N 343.434 4.329 0 50 EIAA C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccccc2-c2ccccc2)C1 12420059 ABPFCTGMKMWQTL-WSTZPKSXSA-N 339.479 4.071 0 50 EIAA COc1ccc(Br)cc1CN(C)CCc1ccccc1 19633600 FEPWEMIHTXSWFY-UHFFFAOYSA-N 334.257 4.132 0 50 EIAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 19782068 KGBYHODQBBPBQV-OAHLLOKOSA-N 333.426 4.266 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccccc1F)NCc1cccnc1 39438294 SXRIHUKPZZKZHL-LJQANCHMSA-N 334.394 4.059 0 50 EIAA FC(F)(F)c1cccc(CN2CCC(CCn3cccn3)CC2)c1 77485049 VMKRLBVAXNUJHE-UHFFFAOYSA-N 337.389 4.204 0 50 EIAA Cc1cccc(NC(=O)N[C@H](C)c2cccnc2)c1Br 120513946 OQYKYFNQALIHIL-LLVKDONJSA-N 334.217 4.035 0 50 EIAA C[C@@H](NCc1ncc(Cl)s1)c1ccc(Br)cc1 225296071 SSEAQLLEASYIRB-MRVPVSSYSA-N 331.666 4.410 0 50 EIAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)NCc1ccccc1 263586216 RJAOPZWJJGLMQC-IBGZPJMESA-N 349.434 4.053 0 50 EIAA biogenic Cc1cccc([C@@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)c1 299794321 IOQCUJKKQRGRBX-QGZVFWFLSA-N 326.444 4.184 0 50 EIAA Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2snc(O)c2Cl)o1 407995593 IPDVHTHRHXIMRN-PSASIEDQSA-N 340.832 4.017 0 50 EIAA C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1nc(C(=O)O)cs1 652429381 NMIRGJPJIFWECU-GHMZBOCLSA-N 338.860 4.119 0 50 EIAA CCCN(CC(C)(C)O)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 857459685 KZLKALBZPNBPQP-UHFFFAOYSA-N 339.907 4.308 0 50 EIAA C[C@@H](NC(=O)N[C@@H](c1ccncc1)C1CC1)c1cc2ccccc2o1 894342766 XNUGSZWVILXUKG-BFUOFWGJSA-N 335.407 4.339 0 50 EIAA COc1cc([C@@H](C)NC(=O)N(C)Cc2ccoc2)cc2ccccc12 898918383 RBTVKEGZQBEUCW-CQSZACIVSA-N 338.407 4.344 0 50 EIAA CO[C@@H](C)c1ccc(-c2cc(C(C)=O)ccc2N2CCOCC2)cc1 1506399071 ACAZTQZTEVCNPV-INIZCTEOSA-N 339.435 4.100 0 50 EIAA CSCc1ccc(-c2noc([C@@H]3C[C@H]3c3ccncc3F)n2)cc1 2325788809 IAJFXFFTJDKQJN-LSDHHAIUSA-N 341.411 4.405 0 50 EIAA CC(C)n1cc([C@@H]2C[C@H]2c2nc([C@@H]3CCCC(F)(F)C3)no2)cn1 2325789767 LMPCGYLWSBLLQR-KWCYVHTRSA-N 336.386 4.411 0 50 EIAA CC[C@H](NC[C@H](CO)Cc1ccccc1C)[C@@H](C)Cc1ccccc1 2325841093 CJGKONLEQPNIAO-WPYKKVEZSA-N 339.523 4.393 0 50 EIAA Cc1cc(OC(F)F)ccc1-c1ccc(Cn2cc(CO)cn2)cc1 2325843480 GRFDFPXWKDPBCF-UHFFFAOYSA-N 344.361 4.001 0 50 EIAA O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 123189 LIFCXMXVGPATSI-UHFFFAOYSA-N 336.627 4.448 0 50 EIAA CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 248919 IBOZNUFEDZNYGD-UHFFFAOYSA-N 341.835 4.478 0 50 EIAA COc1cc(NC(=S)NC2CCCCCC2)c(OC)cc1Cl 468054 YGAVGYCCUISNEQ-UHFFFAOYSA-N 342.892 4.366 0 50 EIAA COC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc(C)c1C 474581 XKBAGLNNKAYGPO-BQYQJAHWSA-N 349.839 4.457 0 50 EIAA CCOc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 528936 FRPHBZNFRVMLQB-HNNXBMFYSA-N 347.480 4.248 0 50 EIAA CC(=O)Nc1ccc(OCc2ccc(C(=O)c3ccccc3)cc2)cc1 1074272 QKCUWBSVBHUOPI-UHFFFAOYSA-N 345.398 4.455 0 50 EIAA CC1=C(C)C[C@@H](C(=O)c2ccc(Br)cc2)[C@@H](C(=O)O)C1 2304901 WKBLOZSJOWBALR-KGLIPLIRSA-N 337.213 4.079 0 50 EIAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H]1c1ccco1 33012300 WZGCOTUKGNEPDL-OAHLLOKOSA-N 326.327 4.051 0 50 EIAA COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 36620648 TURMGTDIFWAGLQ-QGZVFWFLSA-N 344.386 4.212 0 50 EIAA O=C(c1ccccc1O)N1CCC[C@H](CCc2ccccc2F)C1 71416132 FMTBCTOEQAJOSW-OAHLLOKOSA-N 327.399 4.016 0 50 EIAA Cc1cc(C)c(NC(=O)N[C@H](c2nccn2C)C(C)C)c(Cl)c1 97785109 WHMLXGXNPPHMSI-AWEZNQCLSA-N 334.851 4.209 0 50 EIAA CCc1nc(C)c([C@H](C)N(C)CCOc2ccccc2OC)s1 122054064 SHXGZBMRNLTMFL-AWEZNQCLSA-N 334.485 4.094 0 50 EIAA C[C@H](NC(=O)N[C@H](C)c1cccc2ccccc12)C1CCOCC1 127701283 JBWWQNJLEJCYSV-LSDHHAIUSA-N 326.440 4.015 0 50 EIAA FC(F)(F)c1cccc(Oc2cccc(CNc3nnco3)c2)c1 170607181 DOLNMUMIBNYOEG-UHFFFAOYSA-N 335.285 4.493 0 50 EIAA CN(Cc1cc2ccccc2o1)C(=O)c1scnc1C(C)(C)C 176947559 OVBDOBQBLJLXFK-UHFFFAOYSA-N 328.437 4.459 0 50 EIAA COc1ccc2nc(N3CCC[C@@H](c4nccs4)C3)ccc2c1 180227183 IUTOSMUNFCLULY-CQSZACIVSA-N 325.437 4.084 0 50 EIAA O=C(Cc1ccc(Cl)s1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 193499270 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CN(Cc1ccno1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12305691 IPYBNZMPQCIBAW-UHFFFAOYSA-N 344.418 4.364 0 50 EIAA CCc1[nH]c2c(CNCc3ccc(OC)c(O)c3)cc(F)cc2c1C 12438202 GZUGXPSEINZUMU-UHFFFAOYSA-N 342.414 4.182 0 50 EIAA CCOc1cccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1 13326303 HZWAEHZYVNAELK-UHFFFAOYSA-N 335.787 4.008 0 50 EIAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)cc1 18175843 VYZKLZFQJKQBLM-KRWDZBQOSA-N 332.350 4.342 0 50 EIAA O=C(O)c1cc(-c2ccc(F)cc2)nn1-c1ccc(F)c(Cl)c1 25762599 NGROGPYVHHADEP-UHFFFAOYSA-N 334.709 4.169 0 50 EIAA CN(C)C(=O)CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 36565641 ILOFAWXZZCCSOU-UHFFFAOYSA-N 345.830 4.005 0 50 EIAA CC1(C)C(C(=O)NCc2cccnc2Oc2ccccc2F)C1(C)C 67805847 ISNSHTOTFSKWRG-UHFFFAOYSA-N 342.414 4.311 0 50 EIAA COc1ccccc1Cn1ccnc1-c1cnc(-c2cccs2)nc1 67821030 GWCAIFCPXHKMNV-UHFFFAOYSA-N 348.431 4.126 0 50 EIAA Cc1cc(N2CCC[C@]3(C2)C(=O)Nc2ccccc23)nc2ccccc12 72143318 NLPHWDXHQGZTAO-JOCHJYFZSA-N 343.430 4.034 0 50 EIAA CCc1nc(C)sc1CN1CCC[C@@H](C(=O)Cc2ccccc2)C1 72155009 CUDOUXAKMOTBEG-QGZVFWFLSA-N 342.508 4.038 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3C(F)(F)F)c2c1 77407039 OVVXEAFXSNPYFW-MRXNPFEDSA-N 336.357 4.273 0 50 EIAA Cc1ccc2c(C)c(C(=O)NCc3cc(-c4ccccn4)no3)oc2c1 91645624 MJNUPBQSSDSOIL-UHFFFAOYSA-N 347.374 4.030 0 50 EIAA CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cc(F)cc2[nH]cnc12 112672772 IOVHFWMCWBQGFA-SFHVURJKSA-N 325.387 4.171 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)n1)C1(c2cccc(F)c2)CCC1 170606904 VVJSQTKITLIMCH-UHFFFAOYSA-N 338.304 4.300 0 50 EIAA Clc1nc2ccccc2cc1CN1CCC(c2cnccn2)CC1 170607248 NGKLXPFJCDEHGE-UHFFFAOYSA-N 338.842 4.058 0 50 EIAA COc1cccc(CO[C@H](C)C(=O)Nc2c(C)cccc2Cl)c1 174419273 XBLCICASDNVOCM-CYBMUJFWSA-N 333.815 4.201 0 50 EIAA C[C@H](NC(=O)NCc1cccc(O)c1)c1ccc(-c2cccnc2)cc1 176252125 MKFHMTGTFJRHHI-HNNXBMFYSA-N 347.418 4.015 0 50 EIAA Cc1scc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1C 180044407 ZSILGZJCQHXSEF-INIZCTEOSA-N 335.856 4.232 0 50 EIAA O=C(Nc1ccnc2ccc(Oc3ccccc3)cc12)C1CCOCC1 240894757 IPONEIXBTXNGEX-UHFFFAOYSA-N 348.402 4.392 0 50 EIAA COc1cccc(Nc2nc(NC3CC3)cc(-c3ccccc3)n2)c1 242951420 HFDLALDMDDPQOO-UHFFFAOYSA-N 332.407 4.470 0 50 EIAA Cc1c(CN[C@H](c2nnc[nH]2)C2CCCCC2)oc2ccc(F)cc12 292182898 OPXGWVGQJUBOOP-SFHVURJKSA-N 342.418 4.410 0 50 EIAA COCCN1C(=O)CC[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12 334163426 ROIKAMVLDYUGIZ-IBGZPJMESA-N 348.446 4.155 0 50 EIAA Cn1ccnc1-c1ccccc1C(=O)N1CC=C(c2ccccc2)CC1 426434422 GWICRAYSZJJYMR-UHFFFAOYSA-N 343.430 4.017 0 50 EIAA O=C(c1ccnc(-c2ccco2)c1)N(c1ccccn1)C1CCCC1 903987524 LVSQHYUJMOZJBB-UHFFFAOYSA-N 333.391 4.326 0 50 EIAA Cc1cc2occ(CC(=O)N3CC[C@H](CO)C[C@@H]3C)c2cc1C(C)C 952845553 ULNGPIGLURRDNI-HOTGVXAUSA-N 343.467 4.027 0 50 EIAA CCc1ccc2nc(N[C@@H]3COC[C@H]3Cc3ccncc3)cc(C)c2c1 1704345183 WVUAWYYALQGQHM-WIYYLYMNSA-N 347.462 4.170 0 50 EIAA Cc1ccccc1CN1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356158486 MCCHILZORNRXOZ-QHCPKHFHSA-N 348.490 4.152 0 50 EIAA Cc1cnn(-c2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c1 209636 ABSDZEWKENNKCR-UHFFFAOYSA-N 330.366 4.444 0 50 EIAA COc1cc(OC)c(CN2CCCCCCC2)cc1Br 240698 ADQLPWPKUPYZQO-UHFFFAOYSA-N 342.277 4.232 0 50 EIAA O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1cccs1 425912 PHVGPTFSRTUYEI-UHFFFAOYSA-N 346.415 4.248 0 50 EIAA Cc1ccc(F)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1 468165 MVCQHLWTPWZLRP-UHFFFAOYSA-N 343.789 4.285 0 50 EIAA COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1OC 621483 PQQAJJTZRMMQOF-AWEZNQCLSA-N 344.480 4.368 0 50 EIAA O=C(NCc1ccccc1)c1cc(-c2ccco2)nc2ccccc12 1199861 CLRRJYLGLJQXQK-UHFFFAOYSA-N 328.371 4.425 0 50 EIAA Cc1ccc(C(C)(C)C)c(OCCOCCN2CCC[C@@H](C)C2)c1 2822299 VWTNKHSTHINGEN-GOSISDBHSA-N 333.516 4.420 0 50 EIAA COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Cl 2868590 AMAYTYHAVHMSHB-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c2ccccc12 6702228 MCKQQXVKAVJAEN-UHFFFAOYSA-N 333.174 4.296 0 50 EIAA Cc1cccc(Cn2nc(C)c(NC(=O)c3ccccc3F)c2C)c1 6703172 XMASRLAYXPAOHM-UHFFFAOYSA-N 337.398 4.248 0 50 EIAA CCCCNCc1cc(Br)ccc1OCc1cccnc1 15356888 OLDUVSVTVDYBFU-UHFFFAOYSA-N 349.272 4.313 0 50 EIAA CN(C)CCN(Cc1ccccc1)Cc1ccc(Br)cc1 19636496 WWUFALGNZBHEIE-UHFFFAOYSA-N 347.300 4.013 0 50 EIAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc(O)cc3)C2)c1 20109829 JVJUNFRWEFTDFH-LJQANCHMSA-N 347.462 4.470 0 50 EIAA Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 36621119 FYIIEPSVFIWXLU-QGZVFWFLSA-N 338.407 4.135 0 50 EIAA CCOc1ccccc1CN1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 42484225 VCJAUMOYJLFSEV-GOSISDBHSA-N 341.499 4.387 0 50 EIAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)Cc1c(C)[nH]c2ccccc12 67817473 WGTNHDDYJZWYPD-AWEZNQCLSA-N 336.439 4.133 0 50 EIAA COc1c(F)cccc1C(=O)N1CCC[C@@H](CCc2ccccc2)C1 71753709 JIMGHDHGYPVBFC-KRWDZBQOSA-N 341.426 4.319 0 50 EIAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCCCC[C@@H]1c1ccco1 77300058 PHBTYEIIZMHLIW-OAHLLOKOSA-N 344.455 4.386 0 50 EIAA Cc1cc2cc(C(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)ccc2o1 82099758 ISYSEINFVPGMLM-KRWDZBQOSA-N 348.446 4.340 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H]2c2cccnc2)c2ccc(F)cc2n1 82107631 PQRPZABQCLPUKM-LJQANCHMSA-N 335.382 4.055 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)NCCCC[C@@H]1CCCO1 96160019 ZAERXMDVGVDBCI-CYBMUJFWSA-N 340.851 4.128 0 50 EIAA Cc1ccc2oc(C(=O)N3CCC[C@]4(CCCO4)CC3)c(C)c2c1 97527993 QPKKOPAVSRDCCA-FQEVSTJZSA-N 327.424 4.225 0 50 EIAA Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1Cc2ccccc2O1 182103885 SKQYHNMEQHSHIX-MRXNPFEDSA-N 336.416 4.061 0 50 EIAA CC(C)[C@H](C)N(Cc1ccco1)Cc1cc(-c2ccncc2)no1 244734918 NNZCPTUOYUFZDZ-HNNXBMFYSA-N 325.412 4.376 0 50 EIAA O=C(Nc1ccc(-c2ccco2)cc1F)N[C@H]1CCO[C@H](C2CC2)C1 253432011 ILWULWURFSINEV-KSSFIOAISA-N 344.386 4.165 0 50 EIAA CC(C)c1nc(N2CCO[C@H](c3ccco3)C2)cc(C(C)(C)C)n1 302879791 HCGNKESJXRCBEN-HNNXBMFYSA-N 329.444 4.068 0 50 EIAA CC(C)c1ccc2c(c1)[C@H](NC(=O)Cc1c[nH]c3ncccc13)CCC2 342824442 DGJARTVFGUTPBW-HXUWFJFHSA-N 347.462 4.423 0 50 EIAA CCC(CC)(C(=O)N[C@H](C)Cc1ccc(O)cc1)c1ccccc1 427711089 ROHALCNVWRROFU-MRXNPFEDSA-N 325.452 4.197 0 50 EIAA C[C@@H](c1ccccc1)[C@@H](O)CN1CC=C(c2c[nH]c3ccccc23)CC1 1460829390 FCXGQEUOSBUZGM-SBUREZEXSA-N 346.474 4.422 0 50 EIAA CC(C)c1cc(CN2CCCC[C@@H]2CCc2cccc(O)c2)no1 1506430328 ZNPNWKATERSDFR-GOSISDBHSA-N 328.456 4.491 0 50 EIAA Cc1noc2ccnc(N[C@@H](C)c3cnn(-c4ccccc4)c3C)c12 2325821286 BIIAXUTZYXCBDR-LBPRGKRZSA-N 333.395 4.198 0 50 EIAA CC1(C)C[C@@H]([C@H](CC(=O)N2CCCC2)Cc2ccccc2)CCO1 209079 DOBZPVKBUDODLJ-OALUTQOASA-N 329.484 4.063 0 50 EIAA CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1Cl 4814288 ZPWKWBZXMFPGOF-UHFFFAOYSA-N 330.815 4.121 0 50 EIAA Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 22606242 QOENBVUFYRDFKB-NSHDSACASA-N 341.411 4.144 0 50 EIAA Cc1ccccc1CN(Cc1ccc(S(C)(=O)=O)cc1)CC(C)C 55271475 MQQJCFVXVIKTEG-UHFFFAOYSA-N 345.508 4.057 0 50 EIAA COc1ccccc1-c1ccc(Oc2ccccc2CN(C)C)nn1 67754942 UCVOPYBMFIDPLA-UHFFFAOYSA-N 335.407 4.006 0 50 EIAA COc1ccc(O)cc1CN1CCC(Oc2ccccc2Cl)CC1 72145687 OSVCQTROHROCLO-UHFFFAOYSA-N 347.842 4.098 0 50 EIAA Cc1ccc2oc(C(=O)N3CCCN(C4CCCCC4)CC3)cc2c1 82138660 CJEAHFMHNJJWPT-UHFFFAOYSA-N 340.467 4.222 0 50 EIAA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCC2(CCCCCC2)C1 129667812 OAVFWWURBGFQHZ-MSOLQXFVSA-N 334.504 4.090 0 50 EIAA c1ccc([Si](c2ccccc2)(c2ccccc2)C2CCCC2)cc1 169816572 KDUUIWFRBRXYNR-UHFFFAOYSA-N 328.531 4.101 0 50 EIAA CCCn1cc(N[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 186322421 KWOSOLFHNSDBAO-AWEZNQCLSA-N 325.416 4.133 0 50 EIAA Cc1ccc(-c2cc(C(=O)NC[C@@H](C)c3ccccc3C)no2)cc1 227155313 GSQISNAQSNWFQP-MRXNPFEDSA-N 334.419 4.492 0 50 EIAA Fc1cc(Br)c(OC(F)(F)F)c(Br)c1 263624713 SVWCJFGXKMXDAG-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NC(C)(C)c1ccc(C)nc1 330841626 ZXTNOQVMUXOUNE-WBAXXEDZSA-N 332.488 4.115 0 50 EIAA Cc1nnc(Cn2ccc(=O)c3cc(Oc4ccccc4)ccc32)s1 352214793 VBGPLNUVFNBYSY-UHFFFAOYSA-N 349.415 4.002 0 50 EIAA Cc1ccc([C@@H](NC(=O)CSC(C)C)c2cccnc2)c(C)c1 426484409 GWVZHDQVVDWDIT-IBGZPJMESA-N 328.481 4.046 0 50 EIAA Cc1ccc(N[C@H](C)c2ccc(C(F)F)nc2)cc1N1CCNC1=O 657994463 FEMDVLKDQAPQDJ-GFCCVEGCSA-N 346.381 4.030 0 50 EIAA CCOc1ccc(CN2CCC(Oc3ccncc3)CC2)cc1Cl 823383245 YOIDWJACVBSBIA-UHFFFAOYSA-N 346.858 4.177 0 50 EIAA O=C(c1ncoc1C(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1 1292708159 YMRLFUCRTNTUIQ-CYBMUJFWSA-N 338.329 4.103 0 50 EIAA CCCn1ncc(C)c1NC(=O)Cc1coc2cc(C)cc(C)c12 1506404804 AKCRWZCQGMHENE-UHFFFAOYSA-N 325.412 4.146 0 50 EIAA Cc1cccnc1CC(=O)N1CCCC[C@@H]1CCc1cccs1 1506417144 ODGVOAKTQFVAGY-MRXNPFEDSA-N 328.481 4.008 0 50 EIAA CN(Cc1cc(-c2ccccn2)no1)Cc1cc(F)ccc1Cl 1529112963 ASBWOBIXKKBFQR-UHFFFAOYSA-N 331.778 4.161 0 50 EIAA COc1cn(C)nc1[C@H](C)Nc1ccc(-c2nc(C)cs2)cc1 1875285413 MQHFRBZGKYHOQF-LBPRGKRZSA-N 328.441 4.034 0 50 EIAA C[C@@H](NCc1cccc2c1cnn2C)c1ccc(-c2ccncc2)cc1 1875338711 IPPHLQOAGZTDHP-MRXNPFEDSA-N 342.446 4.486 0 50 EIAA N[C@@H](c1noc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1)C1CC1 2325752263 FOWVIHLQBGQRQI-CQSZACIVSA-N 349.312 4.425 0 50 EIAA Cc1cc(F)sc1C(=O)N1CCC[C@H]1c1cc(F)ccc1F 2325818439 BLAGHXQLTQXWRM-ZDUSSCGKSA-N 325.355 4.451 0 50 EIAA O=C(NC1(Cc2ccc(Cl)cc2Cl)CCC1)C1=COCCC1 2325820190 FFNGRMQRSFBTSW-UHFFFAOYSA-N 340.250 4.269 0 50 EIAA Cc1cnc2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cn12 2325860813 VUZGRNQCLWBARD-LBPRGKRZSA-N 347.340 4.153 0 50 EIAA COc1cc(NC(=O)C[C@@H](C)c2ccccc2)c(OC)cc1Cl 859972 GDOHOVUXLNYBRW-GFCCVEGCSA-N 333.815 4.490 0 50 EIAA CCN(CC)C(=S)SCC(=O)n1c(C)c(C)c2ccccc21 2313014 MZMJWGGROIUHEM-UHFFFAOYSA-N 334.510 4.258 0 50 EIAA CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 2738818 HHNASYHRVVAVNK-LLVKDONJSA-N 347.436 4.285 0 50 EIAA CCCC[C@H](CC)CNC(=O)CCC(=O)NC[C@@H](CC)CCCC 4904889 HFROAVSQZYUARR-ROUUACIJSA-N 340.552 4.432 0 50 EIAA CC[C@H]1CN(C(=O)c2ccc(F)cc2)Cc2ccc(Cl)cc2O1 12160422 CHJHTWSYEIIMFB-INIZCTEOSA-N 333.790 4.293 0 50 EIAA CCCO[C@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 12314174 FZPBVSXEPZUBTG-IBGZPJMESA-N 348.450 4.087 0 50 EIAA Cc1nc([C@@H](C)Nc2nncc(-c3ccc(Cl)cc3)n2)cs1 12456687 XTQLESWSWZXOHH-SECBINFHSA-N 331.832 4.130 0 50 EIAA Cc1c([C@H](C)NCc2cccc(F)c2)cnn1-c1cccc(F)c1 12711849 JSJVZNSMWJWAAW-ZDUSSCGKSA-N 327.378 4.310 0 50 EIAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 20206924 QFTXRCOSXKGFQN-AWEZNQCLSA-N 339.464 4.028 0 50 EIAA O=C(O)c1ccc(F)c(F)c1Nc1ccc(Br)cc1F 44126715 LYWJUDIKFYOXSP-UHFFFAOYSA-N 346.102 4.308 0 50 EIAA Cc1ccc2oc(-c3ccc(NC(=O)[C@@H]4CCCO4)c(C)c3)nc2c1 55383182 QPNHHBQEODYFBP-SFHVURJKSA-N 336.391 4.229 0 50 EIAA CC(=O)c1ccc(OCC(=O)N(Cc2ccsc2)CC(C)C)cc1 55576284 PEOCDHDPYDNWEW-UHFFFAOYSA-N 345.464 4.014 0 50 EIAA Cc1ncn(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)n1 67649143 HFYCIOZKGCDBTG-UHFFFAOYSA-N 346.390 4.391 0 50 EIAA Cc1cncc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)c1 67850574 WSLLJFPVGBUJMM-UHFFFAOYSA-N 347.418 4.124 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(Cl)c(Cl)c1 96135761 FENQNDMJSMODCD-LBPRGKRZSA-N 331.243 4.416 0 50 EIAA O=C(Nc1ccc(OCc2ccccn2)cc1)N1CCCCCCC1 96148532 SXUUSWMAMWFTTC-UHFFFAOYSA-N 339.439 4.459 0 50 EIAA CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 96314412 NXNOEWLVKNNXPH-UHFFFAOYSA-N 331.243 4.051 0 50 EIAA CN(Cc1ccccc1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101173414 RCKNWYLUTXSHJF-NRFANRHFSA-N 328.415 4.212 0 50 EIAA COc1cccc2c1CCCCN2C(=O)C[C@@H](C)c1c(C)noc1C 129172002 TXMREUFPLFKAMK-CYBMUJFWSA-N 342.439 4.163 0 50 EIAA CC[C@@H](NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)c1cccs1 177435118 JHFQKAQWDOPFOT-CHWSQXEVSA-N 348.472 4.252 0 50 EIAA CN(CCSc1ccccc1)C(=O)c1ccc([C@@H]2CCCO2)s1 215669675 BDCLOWGXANDSHT-HNNXBMFYSA-N 347.505 4.464 0 50 EIAA O=C(c1scc2c1CCCC2)N1CCCC[C@H]1c1ccccn1 216229596 LTBOEUWQXATIRG-KRWDZBQOSA-N 326.465 4.389 0 50 EIAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1C[C@H]2CCC[C@@H]1C2 216375099 BLVMCZDRXMYRHM-MAUKXSAKSA-N 331.419 4.016 0 50 EIAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCCc1nc(-c2ccccc2)cs1 216384200 FJJNQVVWOBVHGF-PVAVHDDUSA-N 338.476 4.071 0 50 EIAA O=C(COc1ccnc(-c2cccc(F)c2)c1)Nc1cccc(F)c1 225543360 WVJAXLQRFYJICS-UHFFFAOYSA-N 340.329 4.044 0 50 EIAA CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C)c1C 245326511 KYPBUMIKKBOXAK-USXIJHARSA-N 329.440 4.166 0 50 EIAA Cc1nc(-c2cccc(NC(=O)CCCc3nccs3)c2)oc1C 253406281 XUUVLGFOYAONCN-UHFFFAOYSA-N 341.436 4.376 0 50 EIAA O=C(Cc1noc2ccc(F)cc12)N[C@H]1CCCCC12CCCC2 333318327 MPCSMXLFGRSTOD-KRWDZBQOSA-N 330.403 4.129 0 50 EIAA COCC1(N(C)C(=O)c2ccc(-c3ccccc3SC)cc2)CC1 426445545 LFVIQIICYLYGIS-UHFFFAOYSA-N 341.476 4.327 0 50 EIAA CCC(=O)N(C)c1ccc(N[C@@H]2CCc3c(F)ccc(F)c32)cc1 883315210 BUOWUWJFNFRJML-QGZVFWFLSA-N 330.378 4.437 0 50 EIAA CC(C)Cc1ccc(-c2csc(C(C)(C)S(C)(=O)=O)n2)cc1 899240587 RKCZPYLFEQUBKO-UHFFFAOYSA-N 337.510 4.288 0 50 EIAA C[C@@]1(Cc2cc(Cl)cs2)CCCN1Cc1ccoc1C(=O)O 903934129 JROBJCNIQPLADK-INIZCTEOSA-N 339.844 4.290 0 50 EIAA CCOc1ccccc1CNCCc1ccc(N2CCCCC2)cc1 916838812 DAWZLBCOWINTNE-UHFFFAOYSA-N 338.495 4.408 0 50 EIAA Cc1ccc([C@@H](NCc2cnn(C(C)C)c2)c2cccnc2)cc1C 952872015 HSTFICJXDPFBAJ-OAQYLSRUSA-N 334.467 4.355 0 50 EIAA CC[C@H](C)NC(=O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 952963512 ULEZVDJOFOPZJE-LBPRGKRZSA-N 343.427 4.268 0 50 EIAA Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)sc2Cl)cc1 1857800095 NRHCHBIMEVPRNF-UHFFFAOYSA-N 339.825 4.198 0 50 EIAA CN(Cc1ccccc1)C(=O)COc1ccc(-c2ccccc2)cc1 116596 TXRKIWTVPBAYOS-UHFFFAOYSA-N 331.415 4.391 0 50 EIAA O=C1O[C@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)O)c2ccccc21 153457 BDWDJDAQUSMMIO-ZIAGYGMSSA-N 337.158 4.073 0 50 EIAA O=C1C[C@@H](C(=O)Nc2cccc3ccccc23)[C@@H](c2ccccc2)O1 185802 PNQDRKCQFACHSQ-YLJYHZDGSA-N 331.371 4.083 0 50 EIAA O=Cc1ccc(OCc2cccc(C(=O)Oc3ccccc3)c2)cc1 613855 KWETVCYFEGANGA-UHFFFAOYSA-N 332.355 4.297 0 50 EIAA Cc1cccc(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)c1 615535 NYLIKEVIFIQBBU-KRWDZBQOSA-N 344.414 4.140 0 50 EIAA COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1 1063711 JYSFKLKQHIECIW-UHFFFAOYSA-N 339.322 4.125 0 50 EIAA COc1ccc(Cl)cc1NC(=O)CSc1ccc(F)cc1 2838204 TZIKLHQKDSCAAJ-UHFFFAOYSA-N 325.792 4.219 0 50 EIAA Clc1ccccc1/C=C/c1nn2c(-c3cccnc3)nnc2s1 4540203 KXGCGIOSHLQCSZ-BQYQJAHWSA-N 339.811 4.072 0 50 EIAA CCCc1sc(C(=O)Nc2nccs2)cc1Br 13328014 AMZMCSKQWFVTEP-UHFFFAOYSA-N 331.260 4.172 0 50 EIAA COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 15010114 KYBSQJZAMFHBIK-YBEGLDIGSA-N 343.379 4.071 0 50 EIAA Cc1ccc(C(C)(C)C[C@H](C)N2CCN(Cc3ccccc3)CC2)o1 22077785 IEHBINBFDIKIOP-SFHVURJKSA-N 340.511 4.462 0 50 EIAA CCOc1ccccc1CN1CCN(c2ccccc2Cl)CC1 55543631 POPYNXVOHQNXTJ-UHFFFAOYSA-N 330.859 4.061 0 50 EIAA c1cnn(CC[C@@H]2CCCCN2Cc2cncn2C2CCCCC2)c1 77393429 JEBVBLWPFRDZSZ-SFHVURJKSA-N 341.503 4.030 0 50 EIAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2noc(-c3ccco3)n2)C1 91665461 ZVBQICNGRZPSCD-LJQANCHMSA-N 343.427 4.205 0 50 EIAA Fc1ccc(I)cc1C(F)(F)C(F)(F)F 95147683 GBEZMPHWSDOHSG-UHFFFAOYSA-N 340.004 4.084 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc2[nH]ncc2c1 96166012 DSFNWTBEKOVMIU-SFHVURJKSA-N 337.427 4.353 0 50 EIAA Fc1ccc(Oc2ccc(I)cc2)c(F)c1 142796528 CAFFKFQNIHVCRG-UHFFFAOYSA-N 332.087 4.362 0 50 EIAA C[C@@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccccc1-n1cccn1 170608797 LDHUZBXAWWTODX-ISBHARSQSA-N 349.409 4.244 0 50 EIAA COCC1(Cc2noc([C@H]3C[C@@H]3c3c(F)cccc3Cl)n2)CC1 225600211 TUEQFEQSUDWWDQ-QWRGUYRKSA-N 336.794 4.102 0 50 EIAA CCN(Cc1ccc2[nH]ccc2c1)Cc1nc(CCC(C)C)no1 252537420 LDJKVZJTUSKSEY-UHFFFAOYSA-N 326.444 4.162 0 50 EIAA O=C(C[C@H]1CCCOC1)NCc1ccc(-c2cccc(Cl)c2)o1 299766975 FXDGNFVIZKEEEV-CYBMUJFWSA-N 333.815 4.033 0 50 EIAA CC1(C)COc2c(C(=O)NC3(c4nccs4)CCCC3)cccc21 469075450 PGCYRJXNZXURPO-UHFFFAOYSA-N 342.464 4.012 0 50 EIAA CCc1nccn1CCC(=O)N1CCCCC[C@@H]1c1cccc(F)c1 952991784 SOANIIDXQJJSJJ-GOSISDBHSA-N 343.446 4.119 0 50 EIAA Cc1ccc(C(=O)N2CCC(CC3(C(F)(F)F)N=N3)CC2)c(F)c1 1875312978 LIBLUWGWQSQBJF-UHFFFAOYSA-N 343.324 4.101 0 50 EIAA COc1ccc([C@H]2CCN(C(=O)N3CCCCCCC3)C2)cc1F 1875358105 JQLVXLZOVUCMES-INIZCTEOSA-N 334.435 4.010 0 50 EIAA O=C(NCC(=O)C1CCC1)c1cc(-c2ccccc2)nc2ccccc12 1875358141 KZIRJGIPECVIEM-UHFFFAOYSA-N 344.414 4.001 0 50 EIAA CC(=O)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 84949 RSFYRIZKZDOATQ-UHFFFAOYSA-N 342.196 4.339 0 50 EIAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 342106 PCYXOCOZMLRQRH-UHFFFAOYSA-N 348.855 4.254 0 50 EIAA Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 433671 VGAVCCYRROSLRH-IZZDOVSWSA-N 340.854 4.010 0 50 EIAA COc1ccc(CNc2ccc(Br)cc2C)c(OC)c1 439031 VIRZOJOMVSHOMM-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 459817 PYYYGSHKRGGXNH-JXMROGBWSA-N 337.297 4.246 0 50 EIAA c1ccc2c(c1)ccc[n+]2CCCCC[n+]1cccc2ccccc21 1668161 PYAUTVAEUKAKHU-UHFFFAOYSA-N 328.459 4.439 0 50 EIAA CC1(C)C[C@@](CCNCc2ccc(O)cc2)(c2ccccc2)CCO1 2478709 SUYSFVCOGZNFRU-QFIPXVFZSA-N 339.479 4.399 0 50 EIAA biogenic Cc1ccccc1C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 2744642 BNQOUCXRIAZQAY-UHFFFAOYSA-N 344.414 4.429 0 50 EIAA Brc1ccc(-c2ccc(CNCc3cccnc3)o2)cc1 6710082 JLJGPMDCWAQWPX-UHFFFAOYSA-N 343.224 4.394 0 50 EIAA CC(C)Sc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 7382415 XKJODVNRJNPKEK-UHFFFAOYSA-N 340.492 4.150 0 50 EIAA Fc1ccccc1CSc1nc2ncc(Br)cc2[nH]1 13111205 ILOLPXFRSGURQA-UHFFFAOYSA-N 338.205 4.152 0 50 EIAA aggregator CCc1ccc([C@](O)(CNCc2ccccc2)c2ccccc2)cc1 19205312 CZLGEIAMXALFAS-QHCPKHFHSA-N 331.459 4.275 0 50 EIAA CN(Cc1csc(-c2cccs2)n1)Cc1cnn(C)c1C1CC1 72435114 WOIZPUZYIGBQEI-UHFFFAOYSA-N 344.509 4.115 0 50 EIAA Cc1cccc([C@@H]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)C2)c1 77407483 BCSHRHVTZZUDGR-LJQANCHMSA-N 345.446 4.405 0 50 EIAA C[C@H](c1ccc(-c2ncc(F)c(N3CCCC3)n2)cc1)N1CCCC1 97568929 MPDWILASVVQHIY-OAHLLOKOSA-N 340.446 4.040 0 50 EIAA O=C(c1coc2ccccc12)N(Cc1cccnc1)Cc1cccnc1 216253663 BYPJOUSEQVQIBZ-UHFFFAOYSA-N 343.386 4.065 0 50 EIAA OC1(C(F)(F)F)CCN(CC2CCC(c3ccccc3)CC2)CC1 225451271 HUEAMFMYUOGAPX-UHFFFAOYSA-N 341.417 4.350 0 50 EIAA Fc1ccc(-c2noc(-c3ncoc3[C@@H]3CCCO3)n2)c(Cl)c1 225466834 WKUSUEXUDLYKBQ-NSHDSACASA-N 335.722 4.036 0 50 EIAA O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@H]1CC12CCNCC2 238122097 GTKYYKZFLPERDL-GOSISDBHSA-N 346.430 4.428 0 50 EIAA O=C(c1ccncc1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 299796139 NIHUCOGKHHAWLN-UHFFFAOYSA-N 336.435 4.065 0 50 EIAA CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cc(Cl)ccc1C2 409419077 RMVXZEXNEPEQAA-UHFFFAOYSA-N 336.863 4.325 0 50 EIAA CC(C)(C)n1nccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1F 455200830 WZATWYQOTYOTKY-HNNXBMFYSA-N 348.397 4.285 0 50 EIAA C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccsc1C(=O)O 652397094 SSXVXARPOUFPEA-JTQLQIEISA-N 332.450 4.249 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N(C)C[C@@H]3Cc4ccccc4O3)cc2)o1 825197913 VLKANPSGFLNBEU-IBGZPJMESA-N 347.414 4.331 0 50 EIAA CCCCN(Cc1cccc(Cl)c1)C(=O)c1ccn(C(F)F)n1 952966533 JHFBRVMDJQJWTF-UHFFFAOYSA-N 341.789 4.374 0 50 EIAA Clc1ccc2nc(-c3nccn3[C@@H]3C[C@@H]4CC[C@H]3O4)ccc2c1 1857703404 LAXZXXCSEBXXCC-IAOVAPTHSA-N 325.799 4.244 0 50 EIAA C[C@H](NCc1conc1C(C)(C)C)c1ccc(-c2cncnc2)cc1 2325773020 KKLGTRZBTUOPLU-AWEZNQCLSA-N 336.439 4.280 0 50 EIAA COc1cccc2cc(-c3nc4cc5ccccc5cc4[nH]3)c(=O)oc12 53662 SQMOMMYKEQOKNA-UHFFFAOYSA-N 342.354 4.498 0 50 EIAA COc1cccc(CNCc2ccc(OC)c3ccccc23)c1OC 172183 PKCIQDZGRVGTGO-UHFFFAOYSA-N 337.419 4.155 0 50 EIAA NC(=O)c1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N 199395 WCTALFYHKJKOIU-UHFFFAOYSA-N 343.839 4.175 0 50 EIAA COc1cc(C)c(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C 238310 XVULZHXZJPRPAA-UHFFFAOYSA-N 344.886 4.288 0 50 EIAA Cc1cccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 386880 OBCZNEIMVDDOGA-UHFFFAOYSA-N 329.831 4.003 0 50 EIAA CC[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 442440 GPVLHZKWWXNMLG-IBGZPJMESA-N 342.870 4.182 0 50 EIAA Cc1cccc([C@@H](CC(=O)NCc2ccco2)c2ccccc2)c1O 608539 IFXWCNYAOBEMBK-IBGZPJMESA-N 335.403 4.132 0 50 EIAA CCCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1OC 2299965 FJFQGKQAKORBLM-INIZCTEOSA-N 341.451 4.235 0 50 EIAA COc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 2845175 RQLRUKMEKFGNJH-UHFFFAOYSA-N 345.811 4.119 0 50 EIAA COc1cc(C)ccc1OCCOc1cccc(Br)c1 2991155 PMJQQYRINWAQKN-UHFFFAOYSA-N 337.213 4.224 0 50 EIAA Clc1ccc(OCCCN2CCCCC2)c(Br)c1 3003520 SUNKWBBDFBWFSC-UHFFFAOYSA-N 332.669 4.357 0 50 EIAA Cc1cccc(-c2noc(CN(C(=O)Cc3ccccc3)C(C)C)n2)c1 6700859 BVHPTGVBLKTCOR-UHFFFAOYSA-N 349.434 4.025 0 50 EIAA O=C(Nc1cccc(Cl)c1Cl)C(=O)c1c[nH]c2ccccc12 6702847 YWHLHLNHDRFJFH-UHFFFAOYSA-N 333.174 4.296 0 50 EIAA Cc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccc1 9250688 SVLPQMLBBAEYLJ-LJQANCHMSA-N 349.459 4.264 0 50 EIAA C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(C(C)(C)C)cc1 10111912 LURAPBBGKUNDAO-AUUYWEPGSA-N 339.435 4.001 0 50 EIAA CC(=O)N(C)c1ccc(NC(=S)Nc2cc(Cl)ccc2C)cc1 13813686 ALVRJMTXZBBVPJ-UHFFFAOYSA-N 347.871 4.440 0 50 EIAA CC[C@@H]1CN(Cc2cc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 14983488 DWBLMVMWKKKLSX-GOSISDBHSA-N 336.435 4.350 0 50 EIAA COc1ccc(CN2CCN(Cc3ccccc3)CC2)c2ccccc12 19633770 YLAVJCFQTLTLBE-UHFFFAOYSA-N 346.474 4.166 0 50 EIAA O[C@H]1C[C@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 25762874 MAOWNDYORGAXCL-REWPJTCUSA-N 328.411 4.250 0 50 EIAA CCOCC1(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)CCC1 67908156 LZNKOSQEOZKTHZ-UHFFFAOYSA-N 336.439 4.147 0 50 EIAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(Cc3cccnc3)C3CC3)c2c1 91829310 ISBRLKMSFHDKRC-UHFFFAOYSA-N 347.462 4.222 0 50 EIAA CCSc1cccc(-c2ncccc2C(=O)N2CCCCC2)c1 97602133 NVUOPMYRSRLGJA-UHFFFAOYSA-N 326.465 4.487 0 50 EIAA Cc1nc(-c2cccc(NC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)c2)no1 158465411 KXJQEQFYCSPFKY-SCLBCKFNSA-N 348.406 4.270 0 50 EIAA CC1(C)C[C@H](NC(=O)N2CC3(CCCC3)c3c(F)cccc32)CCO1 161819027 CCTOHHPSZXEHKX-CQSZACIVSA-N 346.446 4.125 0 50 EIAA O=C(Nc1cc(Br)ccc1Cl)c1cc(C2CC2)no1 225646449 WOYLEZFSDXTIPS-UHFFFAOYSA-N 341.592 4.220 0 50 EIAA Clc1ccc(-c2noc(CN3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 253388654 BSYRCJUYJNQRAO-ZFWWWQNUSA-N 331.847 4.402 0 50 EIAA CCC(CC)N(C(=O)c1oc(C)nc1C)[C@H]1CCCc2cccnc21 253396609 SZUGUZLAKITVKS-KRWDZBQOSA-N 341.455 4.395 0 50 EIAA Cc1nccnc1[C@H](C)NCc1nc2c(s1)C(C)(C)CC(C)(C)C2 931617886 KQUSWXHJZRJLHS-ZDUSSCGKSA-N 344.528 4.342 0 50 EIAA Cc1cncc(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)c1 1529181942 RROOGHDAUWVZQB-RBUKOAKNSA-N 338.451 4.018 0 50 EIAA COc1ccc(-c2ccc(OC[C@H]3C[C@@H]3C(=O)O)cc2)c2cccnc12 1565513316 JVSLYDPKHMNILW-KDOFPFPSSA-N 349.386 4.010 0 50 EIAA Cc1cc(F)c(NC(=O)c2cc3nccnc3cc2F)c(Cl)c1 1875302021 WVKCLKPRAPZNAG-UHFFFAOYSA-N 333.725 4.122 0 50 EIAA CCc1cc2c(c(C(=O)Nc3cc(C(C)C)ccc3O)c1)OCC2 1875336001 OXOWKNBJCQEPCC-UHFFFAOYSA-N 325.408 4.265 0 50 EIAA O=C(/C=C/c1cncs1)OCC(=O)c1ccc(-c2ccccc2)cc1 2325748991 GAQCVZYMNLYDCZ-ZHACJKMWSA-N 349.411 4.249 0 50 EIAA Cc1sc2ncnc(SCC(=O)Nc3ccc(F)cc3)c2c1C 132265 OBZBLCKOLYWNFB-UHFFFAOYSA-N 347.440 4.178 0 50 EIAA CCC(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1C 455706 KTYPZXSFCYQVEX-UHFFFAOYSA-N 339.420 4.026 0 50 EIAA Cc1cc(OC(=O)C2CC2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 457727 FNWPVIKMWWXGQB-UHFFFAOYSA-N 348.398 4.316 0 50 EIAA Cc1ccc(Nc2ncc(C(=O)Nc3ccccc3C)c(C)n2)cc1 533625 YTCCEGDQBBGCGG-UHFFFAOYSA-N 332.407 4.398 0 50 EIAA CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 2460977 MODVLMAXYWTGCP-UHFFFAOYSA-N 349.408 4.035 0 50 EIAA Cc1occc1C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 2761963 YULIITLOACUTDU-UHFFFAOYSA-N 329.787 4.047 0 50 EIAA Sc1nnc(-c2cccnc2)n1-c1ccc(Nc2ccccc2)cc1 5927475 JUCFGLQGKLWVFZ-UHFFFAOYSA-N 345.431 4.362 0 50 EIAA CCc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 6715717 GWOWIQREISZJET-UHFFFAOYSA-N 343.858 4.257 0 50 EIAA CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 7058828 PEAJVWYQUUBYJC-GFCCVEGCSA-N 341.436 4.081 0 50 EIAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 8160469 LJKWEKCBAXTRLP-QGZVFWFLSA-N 331.799 4.150 0 50 EIAA Cc1ccccc1[C@@H](CC(=O)N(C)Cc1ccon1)c1ccccc1 12432534 RQGAHEMIOTXIDK-FQEVSTJZSA-N 334.419 4.164 0 50 EIAA O=C(c1sc(NC2CC2)nc1-c1ccc(F)cc1)C(F)(F)F 13961087 LMIQFSDZTGTOHN-UHFFFAOYSA-N 330.306 4.269 0 50 EIAA Cc1cccnc1-c1cccc(-c2ccn(C[C@H]3CCCCO3)n2)c1 20535928 VASJILRLECWYMK-LJQANCHMSA-N 333.435 4.490 0 50 EIAA Cc1ccc(C(=O)CN2C=CC(=C(O)NCc3ccccc3)C=C2)cc1 22205169 QKIPLNRCKJHTKO-UHFFFAOYSA-N 346.430 4.080 0 50 EIAA c1cc(CN(Cc2ccsc2)C[C@H]2CCCO2)c2[nH]ccc2c1 55153299 NPTDEIAIILWLEJ-GOSISDBHSA-N 326.465 4.411 0 50 EIAA S=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1 104104184 RGEBXTAQYWVMJZ-UHFFFAOYSA-N 331.238 4.039 0 50 EIAA O=C(N[C@@H]1CCCOc2ccccc21)N1CCC[C@]2(CC=CCC2)C1 170626927 ZPXKPVZRUPWLKM-WIYYLYMNSA-N 340.467 4.432 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]32)C1 253498109 MENYRVLDWKVWLK-GLRWHWIHSA-N 334.500 4.322 0 50 EIAA Cc1ccc([C@H]2CCCN2Cc2nc(O)c3c(C)c(C)sc3n2)o1 270643682 SEMCMYRXIHHKPJ-CYBMUJFWSA-N 343.452 4.252 0 50 EIAA C[C@H]1CCCN(c2cc(-c3nc([C@H]4CCC(F)(F)C4)no3)ccn2)C1 291146332 YXLOOLDOJCEUBI-JSGCOSHPSA-N 348.397 4.271 0 50 EIAA CC(=O)N1CCc2cc(C(=O)Nc3cccc(C4CCC4)c3)ccc21 293471505 XAPSIIICNLIYLX-UHFFFAOYSA-N 334.419 4.115 0 50 EIAA Cc1ncc(C(=O)N2CC[C@H]2c2cccs2)c(-c2ccccc2)n1 426370222 CAFJSAIGFLBUIF-INIZCTEOSA-N 335.432 4.101 0 50 EIAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccccc1C(C)(F)F 455786973 JYUUUSTXVXWSEH-ZBEGNZNMSA-N 332.350 4.442 0 50 EIAA O=C(O)[C@@H]1CCN(C(=O)c2cc3ccccc3s2)[C@@H]2CCCC[C@H]12 659191076 WNZDXYXSPLWCCO-RBSFLKMASA-N 343.448 4.007 0 50 EIAA Cc1[nH]c2c(CN(Cc3ccccn3)C[C@H]3CCCO3)cccc2c1C 1506408654 VXCRUFNLWIQLIW-HXUWFJFHSA-N 349.478 4.361 0 50 EIAA CC(C)Cc1noc([C@H]2CCCN(c3ccnc4ccccc34)C2)n1 1529167920 RKCXCQYSSJSNMB-HNNXBMFYSA-N 336.439 4.200 0 50 EIAA CCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCC(C)CC1)C[C@H]3O 2084329520 ZVVOFCPHQJDMSM-AQWKHSIFSA-N 342.435 4.429 0 50 EIAA C[C@@H]1Cc2c(Cl)cccc2[C@H]1NC(=O)c1nnc(C(C)(C)C)s1 2325873679 PRVIWUFFDOKCBV-RNCFNFMXSA-N 349.887 4.152 0 50 EIAA CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3Cl)nc2C1 181810 BZCTWFLKAOSCSG-UHFFFAOYSA-N 334.828 4.204 0 50 EIAA CC[C@H](C(=O)N(C)c1nnc(-c2ccccc2)s1)c1ccccc1 460607 IUSDZMBLIQWQBF-INIZCTEOSA-N 337.448 4.362 0 50 EIAA COc1ccc(C)cc1-n1c(S)nnc1-c1ccc(Cl)cc1 610207 MBNCAFGTHANOEF-UHFFFAOYSA-N 331.828 4.193 0 50 EIAA COc1cccc(NC(=S)Nc2ccc(Br)cc2)c1 619164 MTECRSZNCGQULO-UHFFFAOYSA-N 337.242 4.267 0 50 EIAA O=C(COc1ccc2ccccc2c1)NCCCCc1ccccc1 2739115 ZLNDDKHJRUXVEQ-UHFFFAOYSA-N 333.431 4.358 0 50 EIAA O=C(c1csc2ccccc12)N1CCN(c2ccccc2F)CC1 2768077 PRCZQJRWYGRABE-UHFFFAOYSA-N 340.423 4.003 0 50 EIAA O=C(NC(=S)Nc1cc(Cl)ccc1Cl)C1CCCCC1 3244913 SCBLXSBMHOJXDG-UHFFFAOYSA-N 331.268 4.387 0 50 EIAA FC(F)(F)c1cnc(Sc2nnc(S)s2)c(Cl)c1 5753703 IRIOOYJKKQSGSF-UHFFFAOYSA-N 329.781 4.045 0 50 EIAA Cc1cccc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)c1 6450720 WOPOOZNQURFVAF-UHFFFAOYSA-N 349.459 4.491 0 50 EIAA COc1ccc([C@@H](CC(=O)N(C)CC(C)C)c2ccccc2)cc1 11951352 BTFUPLGAIHTEKW-FQEVSTJZSA-N 325.452 4.332 0 50 EIAA CC(C)=CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 14819517 YGCCASGFIOIXIN-UHFFFAOYSA-N 338.359 4.086 0 50 EIAA endogenous,in-man CSc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 19781722 SUIMUMSHEQVQDC-UHFFFAOYSA-N 346.927 4.380 0 50 EIAA CCOc1cc(Br)c(Br)c(F)c1OCC 34634579 SCCURTWFEJWBPF-UHFFFAOYSA-N 342.002 4.148 0 50 EIAA CCSCCn1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65386160 IPYSAPDPSBPUKA-UHFFFAOYSA-N 328.437 4.056 0 50 EIAA CC(C)n1cnnc1CN(C)Cc1ccc2c(c1)Cc1ccccc1-2 65417467 UPASAAKVULHLKI-UHFFFAOYSA-N 332.451 4.062 0 50 EIAA O=C1C[C@@H](c2c(F)cccc2Cl)c2cnn(C3CCCC3)c2N1 72117830 NCLHNBZMRHYDRG-LLVKDONJSA-N 333.794 4.265 0 50 EIAA CCn1nc(C)c(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1C 121072829 KHKXFOVXEYDDPJ-WFASDCNBSA-N 330.432 4.118 0 50 EIAA O=c1[nH]c2c(s1)[C@H](c1ccc(F)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 239433025 XCRBMTDUYFRNSW-SAUGFPQOSA-N 333.453 4.228 0 50 EIAA FC(F)(F)c1nc(Cl)c(Br)cc1Br 252496878 PTKXDSQYFCZKCA-UHFFFAOYSA-N 339.336 4.279 0 50 EIAA C[C@@H](CC(=O)N(Cc1ccncc1)C1CC1)c1c[nH]c2ccccc12 278463710 PKDSCYSBQMRSHX-HNNXBMFYSA-N 333.435 4.248 0 50 EIAA Cn1ncc(NC(=O)Nc2cc(F)cc(F)c2)c1-c1ccccc1 348249744 YYVFORIAAXXSQK-UHFFFAOYSA-N 328.322 4.009 0 50 EIAA O=C(Nc1ncccc1Cl)c1ccccc1CCC(F)(F)F 390833748 MJQVHBRNRVIQSX-UHFFFAOYSA-N 328.721 4.482 0 50 EIAA CC(=O)c1ccc(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)s1 478503110 QYZRRLOMGRZBED-UHFFFAOYSA-N 340.404 4.475 0 50 EIAA CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C3CCCCC3)cc2)C1 492795641 YVKAACLMYYBRFH-NHCUHLMSSA-N 340.511 4.291 0 50 EIAA CCc1onc(C)c1CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 886679975 NPXXHCGRFZSGHW-IAGOWNOFSA-N 326.440 4.136 0 50 EIAA CC(C)c1ccoc1-c1noc(-c2ccc(P(C)(C)=O)cc2)n1 904079954 PTMRHFFAPLXHMS-UHFFFAOYSA-N 330.324 4.368 0 50 EIAA Cc1ccc(N2CCC(N[C@@H](c3cccc(C)n3)C3CC3)CC2)cc1 1506422030 ZNZSDIKRZWIAHT-JOCHJYFZSA-N 335.495 4.408 0 50 EIAA CSc1cccc(NC(=O)N2CCC3(C=C(C)CCO3)CC2)c1 1704337021 QGQOKXYFTWKBSZ-UHFFFAOYSA-N 332.469 4.142 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2ccc(Cl)c(O)c2)C[C@H](C(C)C)O1 1875243238 XZNNIJREWOMKDW-RHSMWYFYSA-N 339.863 4.101 0 50 EIAA C[C@@H]1CC(C)(C)c2cccc(NC(=O)N[C@H](C)C3CCN(C)CC3)c21 1875319968 AKQXWXNMXGVARF-HUUCEWRRSA-N 343.515 4.323 0 50 EIAA Cc1ccc(-n2nc3c(c2N)[C@H]2Sc4ccccc4N2CCC3)cc1 1875390586 VUJXHVCYZDWONP-HXUWFJFHSA-N 348.475 4.320 0 50 EIAA C[C@H](NC(=O)c1ccnc(NC2CCCC2)c1)c1cccc(F)c1 2325737863 JUSOCJGYDKUHEU-ZDUSSCGKSA-N 327.403 4.066 0 50 EIAA CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 29486 YNKKZEHHLJUHSP-UHFFFAOYSA-N 344.263 4.204 0 50 EIAA S=C(NCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1 107375 PBOHFTZYRUWRAC-UHFFFAOYSA-N 329.856 4.350 0 50 EIAA O=C1CCCC[C@@H]1Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 443236 XIUMQLWTQYNHNZ-IBGZPJMESA-N 334.371 4.351 0 50 EIAA biogenic COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 466184 UQTHMWNVVGTRPJ-GFCCVEGCSA-N 349.814 4.072 0 50 EIAA CCc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 1121425 YUKBBRWRJMVZCN-UHFFFAOYSA-N 325.393 4.145 0 50 EIAA CC(=O)Nc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 2620310 SSOHZOXLMNJAKE-UHFFFAOYSA-N 348.855 4.419 0 50 EIAA CN(Cc1ccccc1)CC1CCN(CCc2ccccc2F)CC1 12203127 OEELFBOPXJXLPM-UHFFFAOYSA-N 340.486 4.212 0 50 EIAA CN(Cc1ccn[nH]1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12303017 WWSAWBXOANPXIH-UHFFFAOYSA-N 343.434 4.099 0 50 EIAA Cc1ccc2c(Cl)c(C(=O)NCCN3CCCCC3)sc2c1 16605244 XOYJZKWVHUNYDV-UHFFFAOYSA-N 336.888 4.079 0 50 EIAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccco3)C2)c1 19111178 CTSYILICOQCVRK-HNNXBMFYSA-N 325.387 4.188 0 50 EIAA CN1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 22582097 MPICVGQTUJBSEV-UHFFFAOYSA-N 330.859 4.270 0 50 EIAA COc1cc2c(cc1OC)CN([C@@H](C)CCc1ccccc1)CC2 23283590 PAAGEPWOGWIBJB-INIZCTEOSA-N 325.452 4.083 0 50 EIAA CCCc1nccn1Cc1nc(-c2ccccc2OCC)oc1C 67759025 ZWGGHHGJNHFGPF-UHFFFAOYSA-N 325.412 4.246 0 50 EIAA Cc1ccc2c(c1)[C@@H](NC(=O)c1occc1COc1ccccc1)CO2 156371912 YFZHCMJVGULHBH-SFHVURJKSA-N 349.386 4.031 0 50 EIAA Cn1cccc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 170624830 HITNASJSJZCBQI-UHFFFAOYSA-N 335.338 4.225 0 50 EIAA CN(C(=O)c1cnn(CCC(F)(F)F)c1)c1cccc2ccccc12 182378346 PVMNIZZKJSVWAN-UHFFFAOYSA-N 347.340 4.265 0 50 EIAA COCC[C@H](NCc1nc(C)c(C)o1)c1ccc(Cl)c(Cl)c1 284785620 NPLBQEWCTLMTCY-HNNXBMFYSA-N 343.254 4.466 0 50 EIAA CC[C@@H](CC(=O)N1C[C@@H](C(=O)O)c2ccccc21)c1ccc(C)cc1 439711578 URKIREIPVSEJFT-MAUKXSAKSA-N 337.419 4.094 0 50 EIAA COc1ccc2c(c1)N(C(=O)c1cc3c(s1)CCCC3)C[C@H](C)O2 460506772 HXXISRWMJQQNTH-LBPRGKRZSA-N 343.448 4.063 0 50 EIAA CCOc1nn(C)c2ccc(NC(=O)Nc3ccc(C)cc3C)cc12 675028649 XZROMUZLMAFVFV-UHFFFAOYSA-N 338.411 4.233 0 50 EIAA c1ccc([C@@H]2CCN2Cc2ccc(OCCN3CCCC3)cc2)cc1 676413570 DDUUUPNWQMLPSV-QFIPXVFZSA-N 336.479 4.108 0 50 EIAA Cc1ccc2nc(NC(=O)c3cccn3Cc3ccncc3)sc2c1 725879943 QWZDDQDPRVIWED-UHFFFAOYSA-N 348.431 4.102 0 50 EIAA C[C@@H](O)c1nc2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc2[nH]1 952972234 ZWJJCLAKCVZLDL-IYXRBSQSSA-N 343.471 4.407 0 50 EIAA CCO[C@H](C)c1nc(C(=O)O[C@@H](C)c2ccc(Cl)cn2)cs1 2325807174 GEWRTYCKFHCXEG-VHSXEESVSA-N 340.832 4.207 0 50 EIAA Cc1sc2ncnc(SCC(=O)c3ccc(F)cc3)c2c1C 72482 UGHHFQVLSOSMQA-UHFFFAOYSA-N 332.425 4.422 0 50 EIAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 110788 CKSDOHFQQJFJLM-CQSZACIVSA-N 343.398 4.188 0 50 EIAA COc1ccccc1-c1nc(-c2ccc(Br)cc2)no1 290265 LHHCNRHXTIQIMJ-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA in-vitro Cc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1C 361064 VTKJXWTXOFUCJJ-UHFFFAOYSA-N 332.856 4.392 0 50 EIAA COc1cccc(F)c1C(=O)Nc1cccc(Br)c1C 409504 VRLYXFJGXSGKJK-UHFFFAOYSA-N 338.176 4.158 0 50 EIAA CC(C)(C)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 570394 IYVAHKSWZJLZKP-UHFFFAOYSA-N 328.803 4.059 0 50 EIAA CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 610083 XLZKIRITGXMZKU-UHFFFAOYSA-N 346.235 4.193 0 50 EIAA Cc1cccc(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1C 1457056 KCXMPMOZZBHQGA-GOSISDBHSA-N 336.479 4.146 0 50 EIAA Cc1ccc(C)c(OCCNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 4698404 RQGNREJXDMINAC-UHFFFAOYSA-N 341.495 4.405 0 50 EIAA CC(C)(CC(=O)O)CC(=O)Nc1ccc2oc3c(c2c1)CCCC3 4788847 UWUZCLHLXCTCOL-UHFFFAOYSA-N 329.396 4.141 0 50 EIAA COC(=O)[C@H](C)N(C(=O)CC1CCCCC1)c1c(C)cccc1C 6667443 SPXURWBDPLUQJY-INIZCTEOSA-N 331.456 4.168 0 50 EIAA CSc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 6703156 VLVOPPYVAKQFPJ-UHFFFAOYSA-N 341.461 4.031 0 50 EIAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Cl)c1 6819886 KNDSJGOGTZGDSQ-INIZCTEOSA-N 349.858 4.197 0 50 EIAA O=C(O)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1 7524337 RLLMUXOYAKOYDJ-UHFFFAOYSA-N 325.339 4.074 0 50 EIAA Cc1ccc(SCc2cc(O)n(-c3nc4ccccc4[nH]3)n2)cc1 9191576 SYPRDCNRXLYOKE-UHFFFAOYSA-N 336.420 4.055 0 50 EIAA Cc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C 11690277 SZHFUGOWNFECGX-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA FC(F)(F)Oc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 12080471 DUSNGLOXBUZLRP-UHFFFAOYSA-N 335.285 4.247 0 50 EIAA CC(C)=CCC[C@@H](C)CN1CCC(CCC(=O)N2CCCC2)CC1 15073016 KQVJFCWZXVQXBW-LJQANCHMSA-N 334.548 4.484 0 50 EIAA O=C(Cc1noc(-c2ccccc2Cl)n1)Nc1cccc(Cl)c1 16579454 HVYUBJSTMVALHX-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccco1)CCO2 67966482 LDWSZUVFIMRQTE-UHFFFAOYSA-N 335.403 4.355 0 50 EIAA CC(=O)c1ccc(CN2CCC(c3nc4c(C)cccc4[nH]3)CC2)cc1 72128368 BKNOTHZDPPXLNE-UHFFFAOYSA-N 347.462 4.454 0 50 EIAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)on1 91915488 GATCGAUEEQWWQE-QGZVFWFLSA-N 326.440 4.283 0 50 EIAA C[C@@H]1Cc2cc(NC(=O)NCCCSCc3ccco3)ccc2O1 95519432 XOOZNYIIUPQFHG-CYBMUJFWSA-N 346.452 4.048 0 50 EIAA O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1scnc1C1CC1 182456310 QGWPYXMEJIIJGU-CYBMUJFWSA-N 348.855 4.318 0 50 EIAA NC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327015 SNNUDLIPUXOFNH-UHFFFAOYSA-N 330.598 4.325 0 50 EIAA Cc1coc(C)c1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 290793731 DDWLMDOVRYPACQ-UHFFFAOYSA-N 342.370 4.197 0 50 EIAA Cc1noc(C)c1CNC(=O)Nc1cccc2c3c(oc12)CCCC3 299780612 KPEMGDCYGNIUCT-UHFFFAOYSA-N 339.395 4.238 0 50 EIAA Cc1cccnc1N(C)C(=O)c1ccc(C(F)(F)F)cc1Cl 408515316 ZEOVWPJFZYMCRY-UHFFFAOYSA-N 328.721 4.339 0 50 EIAA Brc1ccc2c(c1)[C@@H](c1c[nH]c3ccccc13)NCC2 526055993 KHLGLGAFUULBJR-KRWDZBQOSA-N 327.225 4.166 0 50 EIAA COc1cccc(CN(C(=O)[C@H]2CC2(C)C)C2CCCC2)c1OC 824527092 ZATQGWOHLIQYHA-MRXNPFEDSA-N 331.456 4.021 0 50 EIAA Cc1cc2c(c(C(=O)N3CC4(CCCC4)[C@H]3c3ccco3)c1)OCC2 1875405120 TXELVJZULATMBQ-LJQANCHMSA-N 337.419 4.280 0 50 EIAA CC(C)(O)[C@@H](NC(=O)Nc1ccc(F)cc1C1CC1)c1ccccc1 2325794902 WDVPMJBYHPANTI-SFHVURJKSA-N 342.414 4.337 0 50 EIAA Fc1cc(CN(CCc2ccccc2)[C@H]2CCOC2)c2occc2c1 2325870313 SFZFMSXMEKSLKO-FQEVSTJZSA-N 339.410 4.406 0 50 EIAA CSc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 97863 TYTFHFYLSDHGHW-UHFFFAOYSA-N 329.450 4.016 0 50 EIAA O=C1c2ccccc2-c2c(NC3CCCCC3)c(=O)[nH]c3cccc1c23 291734 AEQYYTRKXMSTBD-UHFFFAOYSA-N 344.414 4.484 0 50 EIAA Cc1ccc(NC(=O)CC[C@@H]2COc3ccccc3O2)cc1Cl 529194 WJFOBLRITGGHBF-CQSZACIVSA-N 331.799 4.207 0 50 EIAA Cc1cccc(-c2noc(CNC(=O)Nc3cccc(Cl)c3)n2)c1 6729962 PJORFWUYYOQUOU-UHFFFAOYSA-N 342.786 4.020 0 50 EIAA Cc1cc(C)cc(-n2nnc(C(=O)Nc3c(C)cccc3C)c2C)c1 11690214 XJVUBPRMEWEIND-UHFFFAOYSA-N 334.423 4.062 0 50 EIAA CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 12757195 WQHGZBFOVDTXEX-HNNXBMFYSA-N 348.899 4.138 0 50 EIAA CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccc(CO)o1 39499941 MWIBYGLUVKLSAV-FQEVSTJZSA-N 338.451 4.399 0 50 EIAA CN(Cc1ccccc1)N1C(=O)[C@H](c2ccccc2)c2ccccc21 44124842 RCKNWYLUTXSHJF-OAQYLSRUSA-N 328.415 4.212 0 50 EIAA CCN(Cc1ccccc1-c1nc(C)cc(=O)[nH]1)C1CCCCCC1 48356926 MXNZEXQLZQRJTD-UHFFFAOYSA-N 339.483 4.290 0 50 EIAA CCc1nc(C)c(-c2nccn2[C@@H](CC)c2nc3cc(C)ccc3[nH]2)[nH]1 71388564 KVNZRKNLCSDYGT-INIZCTEOSA-N 348.454 4.328 0 50 EIAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CC(c2ccccn2)C1 92046907 DYTVXWPBYKFJNR-UHFFFAOYSA-N 338.794 4.235 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H](CSC)C3)c2c1 96140187 SZMRWCILFWJSMP-MRXNPFEDSA-N 342.508 4.321 0 50 EIAA CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@]1(c2ccccc2)CCCCC1=O 170605975 XGRVPMCVBKYGMQ-VIZSFHNOSA-N 347.458 4.287 0 50 EIAA C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CCC2(CCC2)C1 170662341 AYFHIRMGDJTOKD-NSHDSACASA-N 327.255 4.196 0 50 EIAA CCO[C@H]1C[C@@H](NCc2ccc(CSC(F)F)o2)C12CCC2 236975029 YWMPIMYNRMSNPP-KGLIPLIRSA-N 331.428 4.173 0 50 EIAA O[C@H](c1ccc2c(c1)CNCCO2)C(c1ccccc1)c1ccccc1 299762286 SZVBOFQIFJXCQA-HSZRJFAPSA-N 345.442 4.034 0 50 EIAA Cc1nc2ccccc2nc1CN[C@@H](c1ccccc1)C1CCOCC1 362254436 INDNNMOCBZAHEY-QFIPXVFZSA-N 347.462 4.196 0 50 EIAA FC(F)c1nnc(N2CCC[C@H]2C[C@H]2CCCc3ccccc32)o1 368387223 FYJABHBPRWYTBZ-KGLIPLIRSA-N 333.382 4.486 0 50 EIAA O=C(O)c1ccccc1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 368890930 XJURNROSWCIEMW-UHFFFAOYSA-N 343.810 4.058 0 50 EIAA CCCC[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccnc1 534654332 FUHADAVOGVVDDH-SFHVURJKSA-N 332.394 4.340 0 50 EIAA O=C(Nc1cccc(CN2CCCC2)c1)c1ccc2cccc(F)c2n1 828170811 SUOMNQJSCHCKIV-UHFFFAOYSA-N 349.409 4.222 0 50 EIAA O=C(c1cc2ncccc2o1)N(CC1CCCCC1)c1ccccn1 904030499 RIXKAERUNGIXJZ-UHFFFAOYSA-N 335.407 4.450 0 50 EIAA CC[C@@H](NC(=O)NCC1(N2CCCCC2)CCCC1)c1ccccc1 952989427 WZMVRBYRLUWAFH-LJQANCHMSA-N 343.515 4.236 0 50 EIAA O=S(=O)(Nc1ccc2c(c1)CCCC2)c1ccc(Cl)s1 1256493835 YXXSVHVOSAZZAR-UHFFFAOYSA-N 327.858 4.081 0 50 EIAA CC(C)c1ccc(-c2cccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c2)nn1 1565505585 KUYIVECLPMAUGD-NBQZKYEYSA-N 335.451 4.185 0 50 EIAA Cc1ccc2nsnc2c1NC(=O)c1cccc(Br)c1 97743 AXSJRQYHSVHUEF-UHFFFAOYSA-N 348.225 4.015 0 50 EIAA COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 118440 KXISAQHOTBGMMH-GFCCVEGCSA-N 343.448 4.220 0 50 EIAA O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(Br)c1 254574 FOYDEIZWMBAZMG-UHFFFAOYSA-N 334.257 4.004 0 50 EIAA Cc1cc(OC(=O)c2ccccc2)cc(OC(=O)c2ccccc2)c1 346654 AUQZHPLWIXEVCC-UHFFFAOYSA-N 332.355 4.433 0 50 EIAA O=C(Oc1ccc(Cl)cc1Br)c1ccc(F)cc1 359030 WWBIHQQGJGJCTA-UHFFFAOYSA-N 329.552 4.461 0 50 EIAA CCc1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)s1 450188 UKRYSXLSWSVBHE-UHFFFAOYSA-N 333.800 4.266 0 50 EIAA COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2s1 471119 SQNSTYNLDOUXIB-UHFFFAOYSA-N 344.461 4.344 0 50 EIAA O=C(CSc1ccccc1)Nc1ccc(Br)cc1F 577904 NZYOGZBOKZIBLF-UHFFFAOYSA-N 340.217 4.319 0 50 EIAA CCOc1ccc(C(=O)Nc2ccccc2F)cc1Br 858770 QAAIWBVNQGDUQY-UHFFFAOYSA-N 338.176 4.239 0 50 EIAA CCCC(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 2666945 ZRQIHEPLFGIJLE-LLVKDONJSA-N 344.069 4.365 0 50 EIAA O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)NC1CCCCC1 2767526 LDQBZJHVJWAIOU-UHFFFAOYSA-N 332.835 4.039 0 50 EIAA Cc1cccc(NC(=O)Nc2nnc(N3CCCC[C@H]3C)s2)c1C 2908378 LGLMOVQQMWANRM-GFCCVEGCSA-N 345.472 4.178 0 50 EIAA aggregator Cc1cccc(NC(=O)Nc2nnc(N3CCCC[C@@H]3C)s2)c1C 2908380 LGLMOVQQMWANRM-LBPRGKRZSA-N 345.472 4.178 0 50 EIAA aggregator Cc1nc2ccccc2c(=O)n1N(c1ccccc1)c1ccccc1 4147716 BFNBKXZJCVZRKY-UHFFFAOYSA-N 327.387 4.306 0 50 EIAA O=C1N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 4702390 BYCFALWAWHUVIZ-RIYZIHGNSA-N 333.174 4.091 0 50 EIAA Cc1n[nH]c(C)c1CCNC(=O)Nc1ccccc1-c1ccccc1 6697670 ZWMDVZPKBKWINX-UHFFFAOYSA-N 334.423 4.058 0 50 EIAA CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(NC(C)=O)c1 12404168 RHLKIAHTHVPFOZ-AWEZNQCLSA-N 340.423 4.176 0 50 EIAA O=C(CSc1ccccc1)N1CCC[C@H](Nc2ccc(F)cc2)C1 12585263 USYMCQKQSHYGTF-KRWDZBQOSA-N 344.455 4.021 0 50 EIAA CCc1sc(C(=O)Nc2ncc(C)s2)cc1Br 13326744 UQNKPGRJHOKYIK-UHFFFAOYSA-N 331.260 4.090 0 50 EIAA Fc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)c(F)c1 16276262 WXESZTRLEQKVTA-UHFFFAOYSA-N 336.451 4.468 0 50 EIAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cccs2)s1 17057597 CXFSQEUKDVWRAW-LBPRGKRZSA-N 329.450 4.394 0 50 EIAA CCCCOc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 18213524 POIXPRUCJNVKRG-QZTJIDSGSA-N 327.424 4.101 0 50 EIAA Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cccc3c1=O)CC2 33089051 DJEYWHHWWCRGMB-UHFFFAOYSA-N 346.430 4.242 0 50 EIAA Clc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCCC2)cc1 96165974 DYKGTAZCOKRAFY-ZDUSSCGKSA-N 332.831 4.477 0 50 EIAA O=C(Nc1ccc2sncc2c1)N(C[C@H]1CCCO1)C1CCCC1 194224924 XCBJLBHOVCVVKC-MRXNPFEDSA-N 345.468 4.252 0 50 EIAA CCN(Cc1ccc(Cl)s1)C(=O)CC[C@@H](N)c1ccccc1 236928058 CJRNNXGEWVELQZ-OAHLLOKOSA-N 336.888 4.230 0 50 EIAA C[C@H](CN(C)C(=O)NCC1CC(c2ccccc2)C1)c1nccs1 253392832 HVMPFIZPDFRJLK-HPUBIQBYSA-N 343.496 4.082 0 50 EIAA CC(C)c1ccc([C@H]2CCCCN2C(=O)CCc2cnccn2)cc1 253428739 LBXWNAVTGDQORK-HXUWFJFHSA-N 337.467 4.286 0 50 EIAA O=C(Nc1cnccc1-c1ccccc1)[C@@H]1CCOc2ccccc21 365358413 DMZHCAGHYJSZAX-GOSISDBHSA-N 330.387 4.253 0 50 EIAA CC(C)n1ncc2c1C[C@@H](N[C@H](C)c1cc3ccncc3s1)CC2 657990689 VRIYUYAGCWLRRT-CJNGLKHVSA-N 340.496 4.282 0 50 EIAA Cc1cc(C)c(NC(=O)N2CCC(c3ccnc(O)c3)CC2)c(C)c1 1772808238 JZEHFJCSDREVSE-UHFFFAOYSA-N 339.439 4.124 0 50 EIAA O=C(Nc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 460292 KDKQDAFSGSJAAQ-UHFFFAOYSA-N 337.423 4.393 0 50 EIAA COc1ccc(-c2csc(Nc3cccc(C(=O)O)c3)n2)cc1 2552470 CFYDXNBMIJXILG-UHFFFAOYSA-N 326.377 4.261 0 50 EIAA Cc1cccc(Cn2ccc(NC(=O)c3ccccc3Cl)n2)c1 4850875 FAXSZYYAXMDOCH-UHFFFAOYSA-N 325.799 4.146 0 50 EIAA COc1ccc(CNc2cc(C)c3cccc(OC)c3n2)cc1OC 5005691 ALGMZAANFRCLMT-UHFFFAOYSA-N 338.407 4.181 0 50 EIAA O=C(CN1CCCCCC1)Nc1cc(Cl)c(Cl)cc1Cl 6861657 GQAAYTZOZTXJKB-UHFFFAOYSA-N 335.662 4.461 0 50 EIAA Cc1ccc2c(C)nc(N3CCC[C@@H](NCCC(C)C)CC3)nc2c1 14987312 FHUYHWXRVLZVBX-GOSISDBHSA-N 340.515 4.241 0 50 EIAA O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCCCCC1 19812711 QTRSDGZQQMQYJB-UHFFFAOYSA-N 348.490 4.261 0 50 EIAA O=C(O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 45951722 OVQQRBIJPQXUHW-SFHVURJKSA-N 335.403 4.218 0 50 EIAA Cc1cccc(C(C)(C)C)c1NC(=O)N1CCO[C@H](C(F)(F)F)C1 71738399 DEGBGQGUOLEGMK-ZDUSSCGKSA-N 344.377 4.088 0 50 EIAA CC[C@@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn12)c1cccnc1 72411977 DNNFQECYRPMCME-QGZVFWFLSA-N 347.397 4.494 0 50 EIAA Cc1ccc2c(C)c(C(=O)N(C)CCC[C@@H]3CCCO3)oc2c1C 77438022 FYYWHUBLOLLPQT-MRXNPFEDSA-N 329.440 4.389 0 50 EIAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCC[C@H]3c3cc(C)on3)c2c1 95517639 RQDLLGIJNBZDNN-IBGZPJMESA-N 349.434 4.434 0 50 EIAA Cn1c2ccccc2c2ccc(CN3CCCC[C@H]3CC(=O)O)cc21 97797248 FYPZETOFAFUUQB-INIZCTEOSA-N 336.435 4.161 0 50 EIAA O=C(N[C@H]1CCCc2sccc21)c1csc(C(F)(F)F)n1 193838417 AUTXDGPJRJTKBN-QMMMGPOBSA-N 332.372 4.031 0 50 EIAA CC(C)(C)c1cc(COC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)no1 225855454 BTFOPDJGCRJGCN-NWDGAFQWSA-N 335.350 4.097 0 50 EIAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@H]2C1 239038847 FASWWPQUJBMJRU-XPGWFJOJSA-N 349.430 4.191 0 50 EIAA COCc1ccc(NC(=O)Nc2cnn(CCC(C)C)c2C)cc1 252506007 VVZWICKYOQWMIY-UHFFFAOYSA-N 330.432 4.028 0 50 EIAA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)O)cc1 263581906 XUHWDNIXGOQNIN-SCLBCKFNSA-N 345.826 4.000 0 50 EIAA Cc1cc(C(=O)NCc2cnc3c(c2)CCC3)c(-c2ccccc2)o1 426422909 MKBHJLHKPWUPGN-UHFFFAOYSA-N 332.403 4.069 0 50 EIAA COCc1cc(N2CCC[C@H]2c2cc(C)on2)c2cc(F)ccc2n1 811723286 IFHWSTKKHRRQRA-SFHVURJKSA-N 341.386 4.158 0 50 EIAA CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1Cc1ccoc1C(=O)O 903631917 QUDWOLYBOLWGQA-OAHLLOKOSA-N 333.815 4.399 0 50 EIAA CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1OC 931672089 AKRQPWWPLXXQGI-SFHVURJKSA-N 340.423 4.332 0 50 EIAA Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n([C@@H](C)C2CC2)n1 1529167543 NDHYKKXWWJUKPB-NSHDSACASA-N 337.345 4.434 0 50 EIAA NC12CCC(C(=O)N3CC[C@H](c4cccc5ccccc45)C3)(CC1)CC2 2325798961 LKOTXQWOULPJLP-NWLLBJEDSA-N 348.490 4.207 0 50 EIAA Cc1nc2ccccc2nc(C)c1=NOCc1ccc(F)cc1Cl 93193 DFQNFOVWXDVECY-UHFFFAOYSA-N 343.789 4.072 0 50 EIAA O=c1oc2ccccc2c(NCc2ccccc2)c1CN1CCCCC1 191036 IIJZJENXWARXBH-UHFFFAOYSA-N 348.446 4.391 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)C[C@@H]1CCCO1 359165 RTYHFZTTZLLCNX-NRFANRHFSA-N 335.447 4.385 0 50 EIAA Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 413859 PTVVWRJMBPLEFN-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA O=C(CSCc1c(Cl)cccc1Cl)Nc1nccs1 621169 AVQSUQBJAPDVCN-UHFFFAOYSA-N 333.265 4.322 0 50 EIAA CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3n2C)c1 1431483 DCWJNTMVEIJQBU-UHFFFAOYSA-N 331.828 4.201 0 50 EIAA CC1=CC(C)(C)N2C(=O)[C@@]3(Nc4ccccc4O3)c3cc(C)cc1c32 1461522 GMQRAQJBGAMUKL-OAQYLSRUSA-N 332.403 4.194 0 50 EIAA CCOc1ccccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 4380787 VURZYFSEJXFRPI-UHFFFAOYSA-N 343.382 4.138 0 50 EIAA C[C@@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 5073653 BBJFXYAQZMJWIG-VQIMIIECSA-N 327.468 4.075 0 50 EIAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc(Cl)cc1 10155762 BRWCNGSHEYJIFU-HNNXBMFYSA-N 331.799 4.150 0 50 EIAA O=C(NCc1ccccc1Cl)c1ccc(CN2CCCCC2)cc1 10337957 KIBIKQPNJPVOPE-UHFFFAOYSA-N 342.870 4.256 0 50 EIAA Cc1ccc(-c2[nH]c([C@@H]3CC(=O)N(C4CCCC4)C3)nc2C)c(C)c1 19837202 LGKYPTLDTWNVJY-MRXNPFEDSA-N 337.467 4.260 0 50 EIAA C[C@H](NC(=O)Nc1ccc(Cl)cc1F)c1ccc2c(c1)OCO2 20551185 WNCABITZEYCPKD-VIFPVBQESA-N 336.750 4.091 0 50 EIAA CCc1cc(C(=O)OC)c(NC(=O)c2cc3c(s2)CCCC3)s1 20606461 OTFRFDRCLQUTMK-UHFFFAOYSA-N 349.477 4.290 0 50 EIAA CCCCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)[nH]1 72408235 DSJVXDXAZALTMH-UHFFFAOYSA-N 327.472 4.104 0 50 EIAA Cc1ccc(-c2cccc(CN3CCO[C@@H](c4cccnc4)C3)c2)o1 97784985 NMUKRAQSOWCZRZ-OAQYLSRUSA-N 334.419 4.224 0 50 EIAA O=C(Nc1ccc(CO)c(Cl)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 170083302 BPLIEVNMYHWMFG-LSDHHAIUSA-N 336.218 4.228 0 50 EIAA CC(C)(C)c1ncc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cn1 171316328 KIFGFHPETIEMFP-INIZCTEOSA-N 342.418 4.282 0 50 EIAA CC(C)c1cc(CN(C)C(=O)c2ccccc2C(F)(F)F)on1 223261068 PZPICLVHZBCTFY-UHFFFAOYSA-N 326.318 4.089 0 50 EIAA Cc1csc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1Cl 253430019 JKZJKESSERRPTK-RYUDHWBXSA-N 339.844 4.031 0 50 EIAA O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cc(Cl)ccn1 263588707 XLFSBFLWMVLUHH-CQSZACIVSA-N 331.828 4.216 0 50 EIAA O=C(Nc1nccn1-c1ccccc1)c1ccc(Cl)cc1Cl 430100361 GZIPYURNUXXSGG-UHFFFAOYSA-N 332.190 4.431 0 50 EIAA COc1ccc2cc([C@H](C)OC(=O)C[C@H](C)n3ccnc3)ccc2c1 844413730 NFFQAJHSLDZVLQ-GJZGRUSLSA-N 338.407 4.300 0 50 EIAA Oc1nc(Cl)cc(Nc2cccc(COC3CCCCC3)c2)n1 858364366 DODKWANEDWZKMA-UHFFFAOYSA-N 333.819 4.429 0 50 EIAA Nc1nc(Cl)cc(Nc2cccc(COc3ccccc3)c2)n1 917523413 RDPORVNLWYNUFN-UHFFFAOYSA-N 326.787 4.035 0 50 EIAA CCc1nc(C)sc1CNc1cc(C)nc(-c2ccccc2O)n1 1704325850 URBQYLFCGAXNEG-UHFFFAOYSA-N 340.452 4.097 0 50 EIAA Cc1cc(F)cc([C@H](C)NC[C@@](C)(Cc2ccccc2)[C@H](C)O)c1 1875334660 YAAKWNBPKNBFBY-XGHQBKJUSA-N 329.459 4.415 0 50 EIAA CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc2scc(C)c2[nH]1 2325851163 QZCAHJOBPBAOGH-APPDUMDISA-N 346.427 4.183 0 50 EIAA CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1 45108 GZTFUVZVLYUPRG-IZZDOVSWSA-N 337.419 4.407 0 50 EIAA in-vitro Cc1c(C(=O)NC(=S)Nc2ccccc2F)oc2ccccc12 453992 AWDNMPVKKHGYLZ-UHFFFAOYSA-N 328.368 4.007 0 50 EIAA CCn1c(SCc2ccccc2)nc2sc(C)c(C)c2c1=O 533428 FRHSVLLPFLVUBJ-UHFFFAOYSA-N 330.478 4.387 0 50 EIAA O=C(Nc1ccccc1C(=O)OCc1ccccc1)c1ccccc1 564413 DQPHAWLWOOJHGK-UHFFFAOYSA-N 331.371 4.296 0 50 EIAA O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccs1 611670 LKANVMMIVMKKDG-UHFFFAOYSA-N 341.763 4.221 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)Cc1ccc(Cl)cc1 617218 BQALVDANHALRBF-UHFFFAOYSA-N 330.815 4.260 0 50 EIAA CCc1c(C(=O)N2CCN(c3cc(C)ccc3C)CC2)csc1C 1009294 MPCADEBXUYVTOV-UHFFFAOYSA-N 342.508 4.198 0 50 EIAA O=C1C[C@H](c2cccc3ccccc23)c2cc3c(cc2N1)OCCO3 2499188 BNJQDKSAKXREOC-MRXNPFEDSA-N 331.371 4.085 0 50 EIAA CC(C)COc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 4842112 KMVLZQISYPICEB-UHFFFAOYSA-N 337.375 4.080 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)C[C@@H]2C)cc1 6714877 CWPBXBLBOHQYOY-HNNXBMFYSA-N 343.858 4.391 0 50 EIAA CS(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1 10112675 BWLIXVKWNQTDJE-UHFFFAOYSA-N 327.858 4.004 0 50 EIAA CCCCc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 14254713 PMAASPHRZWVXNC-UHFFFAOYSA-N 325.380 4.108 0 50 EIAA OC[C@@]1(Cc2ccc(F)cc2)CCCN(Cc2cccc(Cl)c2)C1 14960930 YLQPFTRIDWEZPM-HXUWFJFHSA-N 347.861 4.296 0 50 EIAA CCCC[C@@H]1C(=O)CC[C@H]2[C@@H]1CC(=O)[C@@H]2CCCCCCC(=O)O 27645428 SMKXBJMWSIFUAU-NCOADZHNSA-N 336.472 4.402 0 50 EIAA in-vitro Cc1ccc(-c2cc(C(=O)Nc3cccc4cccnc34)no2)cc1 32623228 PHWIOODLCWFCGV-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA COc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1C 39769822 JBVBLQNLYNAOND-IRLDBZIGSA-N 342.527 4.233 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)C[C@@H](C)N2CCCCC2)cc1 55244517 WFUIYUPDHXMRGR-MRXNPFEDSA-N 345.487 4.018 0 50 EIAA CCC(CC)n1ncc(C)c1NC(=O)c1cc(-c2ccsc2)n[nH]1 55393440 IEEISUVEYJIDKY-UHFFFAOYSA-N 343.456 4.257 0 50 EIAA CC(=O)N[C@H]1C[C@@H](c2cc(C)cc(F)c2)O[C@@H](C2CCCCC2)C1 65405518 FFRISWDMVVNVBL-AQNXPRMDSA-N 333.447 4.439 0 50 EIAA O=C1CC[C@]2(CCCO2)CCN1Cc1ccc(-c2ccccc2)cc1 71776753 UULWHVATWWMRKF-JOCHJYFZSA-N 335.447 4.415 0 50 EIAA CC(C)(C)c1ncc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)s1 135167570 GMRCANRTAWTIOT-AWEZNQCLSA-N 346.471 4.285 0 50 EIAA CC(C)C[C@@H]1COCCN1C(=O)c1cc2c(ccc3ccccc32)[nH]1 170626630 AJPZJPSISXRSDB-MRXNPFEDSA-N 336.435 4.208 0 50 EIAA CCc1ccccc1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 178185198 IEPZNJOHDDIWLA-SFHVURJKSA-N 335.407 4.229 0 50 EIAA O=C(Nc1ccncc1F)N1CCC[C@H]1c1nc2ccccc2s1 184190513 BRJPDKSYJVNESZ-AWEZNQCLSA-N 342.399 4.199 0 50 EIAA Cc1csc([C@@H](C)N(C)C(=O)c2c(C)c3cc(F)ccc3n2C)n1 215371145 PCZUTBQMYOEBCA-GFCCVEGCSA-N 345.443 4.224 0 50 EIAA CCN(C(=O)c1cc(COC(C)(C)C)on1)c1ccccc1Cl 239359588 AETQLKBZBFBOAW-UHFFFAOYSA-N 336.819 4.310 0 50 EIAA Fc1cc(Br)c(Br)cc1OC(F)(F)F 263623443 HMYNELQAMXOEDU-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA CC[C@H](C(=O)NCC1(c2ccccc2F)CCCC1)n1cccc1 426535184 PAQWGOGJHOYCEU-GOSISDBHSA-N 328.431 4.207 0 50 EIAA CC(C)(C)[C@@H]1CN(C(=O)c2cc(O)nc(C3CC3)c2)c2ccccc21 470297231 IBENKKLTMCQDFH-MRXNPFEDSA-N 336.435 4.455 0 50 EIAA C[C@@H](c1cccc(-c2ccc3c(c2)CN(C)C(=O)N3)c1)N1CCCC1 534587722 CPWSTSPHMWNPRA-HNNXBMFYSA-N 335.451 4.488 0 50 EIAA CC(C)SCc1nnc2sc(-c3ccc4ccccc4n3)nn12 1775972320 VBRUXQXUSURIIU-UHFFFAOYSA-N 341.465 4.043 0 50 EIAA Cc1cc2[nH]c(C(=O)N3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)cc2s1 1875283786 AGAJGHNYLLBDHR-BONVTDFDSA-N 342.386 4.342 0 50 EIAA Cc1cccc(C(=O)N[C@H](C)C(=O)c2ccc(Cl)cc2)c1Cl 1875354856 QVJACEACBJCNKT-LLVKDONJSA-N 336.218 4.303 0 50 EIAA Cc1cc(C(=O)N2CC[C@@H]3CC[C@]32c2cccs2)cc2nc[nH]c12 1875408560 ZGCAOGOPYMWKDR-IFXJQAMLSA-N 337.448 4.084 0 50 EIAA COC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 452218 NEORFBNYCUSAHU-NBVRZTHBSA-N 347.370 4.246 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 2968524 LXGKWTPKXYUJPE-UHFFFAOYSA-N 330.815 4.260 0 50 EIAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cnn(Cc2ccccc2)c1 6240455 GNRZDUZNHZQNDL-UHFFFAOYSA-N 349.478 4.476 0 50 EIAA CC(=O)c1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1 13519138 YFCGOUMIPGYWDE-AWEZNQCLSA-N 326.465 4.197 0 50 EIAA CC(C)(C)OC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 16698776 RIZMHDANSJWNSI-UHFFFAOYSA-N 339.439 4.129 0 50 EIAA O=C(CCc1ccccc1F)Nc1ccc(Cc2ccncc2)cc1 47340880 IBSHGZKAFDCLJV-UHFFFAOYSA-N 334.394 4.383 0 50 EIAA Fc1ccc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 55543322 KFCFFDCRQUGKFR-UHFFFAOYSA-N 338.348 4.167 0 50 EIAA Cc1cc(-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)nc2)[nH]n1 67855344 CNWIGCOLHOQDEY-UHFFFAOYSA-N 349.825 4.345 0 50 EIAA CC(C)(C)OC(=O)N1CC(Sc2ccc(Br)cc2)C1 95495783 QTVOGWJQEIOAJD-UHFFFAOYSA-N 344.274 4.161 0 50 EIAA c1ccc2oc([C@@H]3CCCN(Cc4ccc5c(c4)CCO5)C3)nc2c1 109829702 MKBJQSRHUSWVHE-QGZVFWFLSA-N 334.419 4.142 0 50 EIAA CC1=C(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)CCCO1 129360261 HHWJGFMJKGHNCF-UHFFFAOYSA-N 347.418 4.263 0 50 EIAA CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O 136088781 JCRHUUGZAVXSDE-UHFFFAOYSA-N 341.818 4.498 0 50 EIAA COCc1ccc([C@H]2CCCN2C(=O)c2cc3c(F)cccc3[nH]2)o1 137500505 PZVGQQQRQHZUBM-QGZVFWFLSA-N 342.370 4.024 0 50 EIAA CSc1nc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c2ccccn12 170626796 TWEXETHHFCWMFC-IBGZPJMESA-N 341.480 4.019 0 50 EIAA Cc1cc(O)ccc1NC(=O)Nc1cccc(OCc2cccnc2)c1 189782057 AUDYPTLQYPPEQK-UHFFFAOYSA-N 349.390 4.319 0 50 EIAA COCC1(CNC(=O)c2ccccc2-c2ccc(F)cc2)CCCC1 219519256 BRGRFJNEQXCDTJ-UHFFFAOYSA-N 341.426 4.429 0 50 EIAA CCCOc1ccc(/C=C/c2nc(C(=O)O)c(C)s2)cc1OC 225792784 YCVMQEZUQWUEFX-SOFGYWHQSA-N 333.409 4.118 0 50 EIAA Cc1cccc([C@H](C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 241720764 QRZQNBYBRDEBLP-KYNGSXCRSA-N 343.854 4.398 0 50 EIAA Cc1ccccc1CN(C)[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 248148807 ISVHPCPXQSCKQP-UWJYYQICSA-N 336.479 4.009 0 50 EIAA CCC(C)(C)C1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 252585766 KXLYYJSGANPOQI-IRKLFDGPSA-N 336.520 4.094 0 50 EIAA Nc1c(Cl)ccc(C(=O)Nc2cccc(-n3cccn3)c2)c1Cl 253404929 FYZZGUCTZGZEEY-UHFFFAOYSA-N 347.205 4.014 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](N)(=O)c1ccc(N(C)C)cc1 263621488 OOJHUUWPPUDIFV-ZLAJIECUSA-N 338.432 4.007 0 50 EIAA O=C(C[C@@H]1CCCOC1)NCc1ccc(-c2cccc(Cl)c2)o1 299766976 FXDGNFVIZKEEEV-ZDUSSCGKSA-N 333.815 4.033 0 50 EIAA C[C@H](CCc1ccccc1)NC1CCN(Cc2cccs2)CC1 821831566 RYZNXHBELIGDNP-QGZVFWFLSA-N 328.525 4.323 0 50 EIAA Cc1nnc(C[C@@H]2CC[C@H](N[C@@H](C)c3cc(C)c(F)c(C)c3)C2)o1 952890289 RVRUNQPZVYPZGC-LXZKKBNFSA-N 331.435 4.196 0 50 EIAA c1ccc([C@@H](CCNCc2ccc3c(c2)OCCO3)c2ccco2)cc1 952988301 NFUJXTXNMJMCBG-LJQANCHMSA-N 349.430 4.363 0 50 EIAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)N1CC(c2ccncc2)C1 952990228 XQGJHXVTTTVSED-LJQANCHMSA-N 346.430 4.017 0 50 EIAA c1ccc(-c2nc(NCc3noc(C4CC4)n3)c3ccccc3n2)cc1 1506408905 YLWCNCUFCXMBKL-UHFFFAOYSA-N 343.390 4.169 0 50 EIAA CCOC(=O)c1cccc(Nc2ncnc3sc(C)c(C)c23)c1 144734 NHCHBZOULACGJA-UHFFFAOYSA-N 327.409 4.228 0 50 EIAA Cc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1 197759 ZJJYWHTUPVPORO-UHFFFAOYSA-N 343.386 4.257 0 50 EIAA O=C(OCc1ccc(Br)cc1)c1cccc(Cl)c1 462186 PRVRTJFOFXZDOG-UHFFFAOYSA-N 325.589 4.460 0 50 EIAA COc1cc(-c2n[nH]c(=S)n2C2CCCCC2)cc(OC)c1OC 462861 RVGXNGRYLSLIIC-UHFFFAOYSA-N 349.456 4.139 0 50 EIAA S=C1N(c2ccccc2)[C@@H](c2ccccc2Cl)N2CCCN12 551753 QISSZKUTKJUFEM-INIZCTEOSA-N 329.856 4.066 0 50 EIAA Cc1cc(C)nc(SCc2noc(-c3ccc(Cl)cc3)n2)n1 789098 BIFHEYFQLQUGRI-UHFFFAOYSA-N 332.816 4.089 0 50 EIAA Cc1c(C(=O)O)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 2469572 KYOBVVVMSRWFIV-CYBMUJFWSA-N 325.408 4.232 0 50 EIAA Cc1ccccc1OCC(=O)Nc1cccc(C(=O)c2ccccc2)c1 2849717 ZCNVZAQYODCXLM-UHFFFAOYSA-N 345.398 4.244 0 50 EIAA O=C(COc1ccc2ccccc2c1)Nc1cccc2cccnc12 4539346 ADUYJLHRGZYFOW-UHFFFAOYSA-N 328.371 4.406 0 50 EIAA C[C@H]1C[C@@H](OC(=O)CCC(=O)Nc2ccc(F)cc2F)CC[C@H]1C 4654035 RPFFOOSNJXMCPE-DYEKYZERSA-N 339.382 4.051 0 50 EIAA O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccccc1 6344037 CZBGBLYAMMSQQZ-UHFFFAOYSA-N 339.464 4.258 0 50 EIAA O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccnc1 15839647 ZQWVLRRYXJGPBP-FQEVSTJZSA-N 336.822 4.183 0 50 EIAA CCOc1ccccc1NC(=O)c1sc(-c2cccnc2)nc1C 16647785 KCAGELULXANIOZ-UHFFFAOYSA-N 339.420 4.165 0 50 EIAA Cc1cc(Br)cc(Cl)c1I 63339652 NUXOMLHLSLRWMX-UHFFFAOYSA-N 331.378 4.016 0 50 EIAA in-vitro Cc1c([C@@H]2CC(=O)NCc3nc4ccccn4c32)sc2ccccc12 65426970 CFCXXPISYHUEPC-CQSZACIVSA-N 347.443 4.009 0 50 EIAA Cc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(C)o1 67756401 VEVYCBOIIPZFGK-PZJWPPBQSA-N 349.430 4.040 0 50 EIAA Cn1c([C@H]2CCCN2C(=O)c2ccc(Cl)s2)nc2ccccc21 68002929 NWZSEYAVYXXUBK-CYBMUJFWSA-N 345.855 4.266 0 50 EIAA CC(=O)Nc1ccc(-c2nccn2-c2ccc3scnc3c2)cc1 71721402 QQMIUFJFSSLVHA-UHFFFAOYSA-N 334.404 4.107 0 50 EIAA COc1ccc(-c2nn(-c3ccccc3C)cc2-c2ncc[nH]2)cc1F 72158486 BEVVXMFJLALQRN-UHFFFAOYSA-N 348.381 4.386 0 50 EIAA O=C(c1ccc2occc2c1)N1CCC(OCc2ccccc2)CC1 77506099 PHKLTQWFSRBAPO-UHFFFAOYSA-N 335.403 4.254 0 50 EIAA Cc1nn(C)c2nc(N(Cc3ccc(F)cc3)CC(C)C)sc12 95522161 ZDEDEGFIDZIAPR-UHFFFAOYSA-N 332.448 4.140 0 50 EIAA Cc1nc([C@H]2CCCN2C(=O)Nc2ncc(C(C)C)s2)cs1 192399950 HSHTZRCIQNIRII-GFCCVEGCSA-N 336.486 4.400 0 50 EIAA Cc1cc(NC(=O)[C@H](N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc2)no1 230164853 PRESOVRBDLIODM-LRCYWBKYSA-N 341.455 4.077 0 50 EIAA CC(C)(C)OC(=O)Nc1ccc(NC(=O)OCC(F)(F)F)cc1 238852484 GGSJBAYWLDEMPN-UHFFFAOYSA-N 334.294 4.144 0 50 EIAA CC(=O)N[C@@H](CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cccs1 252680165 WUHGQARSDWIAGE-PGSNGQOISA-N 349.496 4.073 0 50 EIAA O=C(c1ncoc1C1CC1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 293484470 SQIGNQKGMWXGNW-KRWDZBQOSA-N 335.407 4.401 0 50 EIAA COc1ccc(-c2ccc([C@H](C)N3CCCCC3)cc2)cc1CO 534581971 XOFZFCLFMQABPB-INIZCTEOSA-N 325.452 4.401 0 50 EIAA CCc1nccc(C)c1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 934467157 PHACPOFTBKAOCV-HNNXBMFYSA-N 349.438 4.021 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(c3nc4ccc(Cl)cc4s3)C[C@@H]21 1704344157 PIJXOJIANCXOKJ-BTJLNZGRSA-N 336.888 4.327 0 50 EIAA CC(C)CCOc1cccc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 1704353944 PUXIBABRAYALEI-FGYAAKKASA-N 331.500 4.093 0 50 EIAA CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3[nH]2)cc1 36147 YJTJYZHIQACPPK-UHFFFAOYSA-N 339.464 4.095 0 50 EIAA FC(F)(F)c1cccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 217293 KCAFLEYPLCJAJW-UHFFFAOYSA-N 334.253 4.151 0 50 EIAA Cn1c2ccccc2c2nnc(SCc3ccccc3Cl)nc21 340065 LHJCEEBGLTXGPA-UHFFFAOYSA-N 340.839 4.462 0 50 EIAA CCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1 463749 QFXLWBKKVDJOMO-UHFFFAOYSA-N 338.359 4.092 0 50 EIAA biogenic COc1ccc(C)cc1NC(=O)OCCOc1ccccc1Cl 2141401 DCUUVNCCITXPON-UHFFFAOYSA-N 335.787 4.285 0 50 EIAA CC1=C(C(=O)Nc2cc(Cl)ccc2C)C2(CCCCC2)OC1=O 6772337 SHDCFFCDJQBACQ-UHFFFAOYSA-N 333.815 4.163 0 50 EIAA biogenic O=C(NCc1ccncc1)c1ccccc1SCc1ccccc1 7367062 FTRZQCGWSUTXLL-UHFFFAOYSA-N 334.444 4.304 0 50 EIAA Cc1occc1C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 8907761 BNYHZXOZBYNJLP-UHFFFAOYSA-N 335.319 4.150 0 50 EIAA Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)[nH]1 11935009 XQMQNONCTBKWPE-OAHLLOKOSA-N 344.842 4.020 0 50 EIAA O=C(c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)N1CCCC1 12430259 KNWMFWYLPIWSDX-UHFFFAOYSA-N 340.810 4.308 0 50 EIAA COc1ccc([C@@H](C)NC(=O)c2c(-c3ccccc3)noc2C)cc1 13328719 XYZYXMVLKKGARN-CYBMUJFWSA-N 336.391 4.150 0 50 EIAA O=C(/C=C\c1ccco1)Nc1ccc(NC(=O)c2cccs2)cc1 15799726 KFAFOQPKASJZAX-KTKRTIGZSA-N 338.388 4.245 0 50 EIAA Clc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1 16945231 FGVMMLBPKOPFLT-UHFFFAOYSA-N 335.798 4.272 0 50 EIAA CCOc1cccc(CN(C(=O)c2c[nH]c3ccccc23)C2CC2)c1 55283110 KLBSGIXNOQPKPU-UHFFFAOYSA-N 334.419 4.371 0 50 EIAA C/C=C/CC(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67966067 MSCJSFFBRAFVDY-ONEGZZNKSA-N 337.419 4.055 0 50 EIAA CCCCCCOC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O 72099095 TYEFUKSNTLMNBV-UHFFFAOYSA-N 345.439 4.376 0 50 EIAA in-vitro Cc1ccc(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)s1 72477401 ZEPSUORJQZTAKT-UHFFFAOYSA-N 331.481 4.032 0 50 EIAA Cn1ccc([C@H]2CCCCN2C(=O)c2ccc3sccc3c2)n1 91694691 XQUJZRZMJNSART-MRXNPFEDSA-N 325.437 4.002 0 50 EIAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2scnc2C)ccc1F 102700319 BGXZWIPTEMTGII-MUJYYYPQSA-N 344.455 4.450 0 50 EIAA Cc1noc(C2CC2)c1C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 129726966 AYCZMEDWKXDKBB-CYBMUJFWSA-N 347.418 4.413 0 50 EIAA Cc1cc(F)cc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 152840514 MVHMFPQFTKBVHG-MRXNPFEDSA-N 342.370 4.232 0 50 EIAA C[C@@H](CCc1ccco1)Nc1cc(Br)cc(C(=O)O)c1 227670703 HNLQGOHPWXRORY-JTQLQIEISA-N 338.201 4.174 0 50 EIAA CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[nH]1 328596192 WOKOVVHHKSGJSA-MRVPVSSYSA-N 325.195 4.015 0 50 EIAA COc1ccncc1CN[C@H](C)c1csc(-c2ccccc2F)n1 340402101 CEYOEKPPBPSLCM-GFCCVEGCSA-N 343.427 4.204 0 50 EIAA C[C@@H](c1ccc(C(=O)O)o1)N1CCC(c2c[nH]c3ccccc23)CC1 652383940 KIFNSLBLZISQJW-ZDUSSCGKSA-N 338.407 4.400 0 50 EIAA Cc1csc([C@@H](C)NC(=O)N[C@]2(c3ccccc3)CC2(C)C)n1 663952363 VXGYHWQBYAUTJQ-ACJLOTCBSA-N 329.469 4.137 0 50 EIAA NC(=O)c1ccc(-c2cc(F)ccc2OCCc2ccccc2)cc1 786041762 CCWNPRTVTLJULX-UHFFFAOYSA-N 335.378 4.213 0 50 EIAA CCc1nccc(C)c1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 1148284612 WCYOSEMFNIKKKO-UHFFFAOYSA-N 344.414 4.436 0 50 EIAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccccc2)c2ccccc21 1181928688 PAXPDJKJZOPQER-MRXNPFEDSA-N 338.407 4.164 0 50 EIAA CC[C@@H](NCc1cccc(-c2ccncc2)c1)[C@H](O)c1ccccc1 1875339111 WRXOSWJROQMYTA-FGZHOGPDSA-N 332.447 4.350 0 50 EIAA CCOc1cc(C(=O)Oc2ccc(F)cc2)cc(OCC)c1OCC 149116 CIODWLPMANNTGC-UHFFFAOYSA-N 348.370 4.241 0 50 EIAA COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 297117 COFVOSVXAOKFIF-UHFFFAOYSA-N 345.811 4.119 0 50 EIAA O=c1oc2ccc(Cl)cc2n1Cc1ccccc1Br 538844 BLUAQHFERGDQRD-UHFFFAOYSA-N 338.588 4.059 0 50 EIAA CCCC[C@@]1(c2ccccc2)NC(=S)N(c2ccc(C)cc2)N1 2310748 XAIDHRILHSJWHP-LJQANCHMSA-N 325.481 4.237 0 50 EIAA CSc1ccc([C@@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 2499949 XIRDQZVOWARVPD-KGLIPLIRSA-N 328.466 4.208 0 50 EIAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3OC)nc21 2732442 NMJSXXBMVOISPZ-UHFFFAOYSA-N 335.329 4.454 0 50 EIAA COc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(C)c1 4867759 FSFHNYKCINMWOL-UHFFFAOYSA-N 339.313 4.040 0 50 EIAA CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C 11690148 MOGGMMOUDOAGID-UHFFFAOYSA-N 348.450 4.316 0 50 EIAA c1ccc(Cc2cn[nH]c2[C@H]2CCCN(C3CCSCC3)C2)cc1 12246559 IFTXWAMCNMOHBC-KRWDZBQOSA-N 341.524 4.076 0 50 EIAA O=C(Cc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1cccnc1 15839649 ZQWVLRRYXJGPBP-HXUWFJFHSA-N 336.822 4.183 0 50 EIAA COC[C@H](C)NC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 20535644 ZMQIAVOUUWKIQY-INIZCTEOSA-N 342.458 4.086 0 50 EIAA CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27641234 YRFLKMLJQWGIIZ-LVJWDHJUSA-N 338.488 4.072 0 50 EIAA in-vitro CCCn1ncc(CN(Cc2ccsc2)Cc2ccco2)c1C 55404314 YBLHXHRLYOACSA-UHFFFAOYSA-N 329.469 4.458 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H]1CCc2ccccc21 72463610 XSCPCJSUYOOSSQ-IBGZPJMESA-N 332.403 4.030 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@@H]3c3cc(C)no3)c2c1 77456168 GOGOTJVUDGRASR-GOSISDBHSA-N 349.434 4.434 0 50 EIAA COCC1(CNC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 96141505 VPWQNOJIEFHUDC-UHFFFAOYSA-N 330.350 4.034 0 50 EIAA Cc1noc(C)c1[C@H](C)CNC(=O)N1CCCCC[C@H]1c1ccco1 151562992 FFJZKSJDKHHJML-CJNGLKHVSA-N 345.443 4.315 0 50 EIAA O=C(CCCn1cccc1)N1CCC[C@@H]1c1nc2ccccc2s1 158706794 CGOICQIXQFVYFZ-MRXNPFEDSA-N 339.464 4.242 0 50 EIAA CC(C)(C)OC(=O)NC1(c2nnc(-c3ccccc3)o2)CCCC1 170594369 OVVNQGAOGIKOGA-UHFFFAOYSA-N 329.400 4.031 0 50 EIAA CC(C)Cn1ncc(C(=O)N2CC[C@@H]2c2ccccc2F)c1C1CC1 252537658 LYYCXNJEHDPUOV-GOSISDBHSA-N 341.430 4.143 0 50 EIAA Cc1nsc2ncn(Cc3sc4ccccc4c3Cl)c(=O)c12 253401076 XCKZTPNGWODMNO-UHFFFAOYSA-N 347.852 4.078 0 50 EIAA COc1ccc(C(=O)Nc2cnccc2-c2cccc(F)c2)c(F)c1 370291803 QUNSQJUADUESKS-UHFFFAOYSA-N 340.329 4.288 0 50 EIAA O=C(N[C@H]1COc2cc(F)cc(F)c21)c1occc1-c1ccccc1 680304829 BXYCOSICRUBWJR-HNNXBMFYSA-N 341.313 4.088 0 50 EIAA ClC1(Cl)C[C@H]1CCOc1cccc(Oc2ncccn2)c1 818077837 TVFJHVOSMXKRDB-LLVKDONJSA-N 325.195 4.232 0 50 EIAA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 952973269 IDBKURFVJVENOO-SQNIBIBYSA-N 338.476 4.193 0 50 EIAA CCc1nccn1CCC(=O)N[C@@H](c1cccs1)C1CCCCC1 952988694 OLKLAMOCHMQPTJ-LJQANCHMSA-N 345.512 4.335 0 50 EIAA CCOc1ccc(C)cc1S(=O)(=O)Nc1cccc2ccccc12 1191821819 PNTJMLVCJQJWJO-UHFFFAOYSA-N 341.432 4.348 0 50 EIAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)n[nH]2)o1 1290744560 VYWLERHRKNHFIA-UONOGXRCSA-N 329.444 4.313 0 50 EIAA O=C(N[C@@H]1C[C@H]1C1CCCC1)N1CCCCC[C@@H]1c1ccncc1 1875335874 JSFWGYVYGXBBNW-IPMKNSEASA-N 327.472 4.287 0 50 EIAA C[C@@H](C(=O)NCC1CCCCC1)N1Cc2cccc3c2[C@H](CCC3)C1 2325828036 XCOIWMXZAQPSCS-OXJNMPFZSA-N 340.511 4.007 0 50 EIAA CC1(C)CCC[C@@H]([C@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)C1 2325842395 XBOJNGBRZBFMOE-DENIHFKCSA-N 343.511 4.263 0 50 EIAA Oc1ncnc2ccc(-c3ccc(CCN4CCCCC4)cc3)cc12 2325858138 ALHKFRWNIPXMSN-UHFFFAOYSA-N 333.435 4.031 0 50 EIAA COc1ccc(CN[C@H]2CC(C)(C)OC[C@@H]2Cc2ccccc2)cc1 197364 YXAXNNGFZSMSET-FPOVZHCZSA-N 339.479 4.211 0 50 EIAA O=C(NCCOc1cccc(Oc2ccccc2)c1)c1cccs1 2875539 IFWMERHLKNJVJW-UHFFFAOYSA-N 339.416 4.349 0 50 EIAA Cc1nn(-c2ccc(Br)cc2)c2c1C(=O)CC(C)(C)C2 4186103 PIXUIACSVOPXCM-UHFFFAOYSA-N 333.229 4.098 0 50 EIAA COC(=O)c1cn(C(=O)c2cc(Cl)ccc2Cl)c2ccccc12 4985686 KPVGLMZQLFVHGB-UHFFFAOYSA-N 348.185 4.423 0 50 EIAA CC(=O)c1cccc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1 12593013 BGKPRPDSCVBWBW-GOSISDBHSA-N 344.405 4.244 0 50 EIAA Cc1cccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1C 13331334 QDVOTEWDZIJYAU-UHFFFAOYSA-N 346.833 4.058 0 50 EIAA O=C(Nc1cccc(F)c1)[C@H]1CC12CCN(C[C@@H]1CC=CCC1)CC2 14995421 OSHGBSDQLVGQEE-VQIMIIECSA-N 342.458 4.223 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1C 15659737 PTQALQHJEIEUAV-UHFFFAOYSA-N 344.842 4.046 0 50 EIAA CCN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccc(C)cc12 20352133 GGPGKRMRMQCENM-UHFFFAOYSA-N 336.439 4.080 0 50 EIAA CC1=C(Cc2cn([C@@H](C)c3nncn3C(C)C)nn2)C(C)(C)CCC1 67816970 DQYVPEOAKPGWNI-HNNXBMFYSA-N 342.491 4.129 0 50 EIAA CC(C)Cc1cc(C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)on1 91645789 MCPKKCXGYGCUCO-INIZCTEOSA-N 329.444 4.175 0 50 EIAA COC(=O)Cc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)c1 103303243 JWGVLOLYXFTGNH-UHFFFAOYSA-N 329.705 4.136 0 50 EIAA O=C(CCC1CCCC1)Nc1cccc(-c2nnc3n2CCCC3)c1 169755511 PWMVZHPSAJHEQM-UHFFFAOYSA-N 338.455 4.190 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2O 252441330 QIOYEDVDPAWRGZ-YRYYUTHUSA-N 332.484 4.053 0 50 EIAA CO[C@@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(SC)cc2)CC1 281474650 UJQUFDPJHQWHOO-KDOFPFPSSA-N 336.501 4.070 0 50 EIAA Fc1ccc(CCOc2cccc(CNCc3ccncc3)c2)cc1 299771519 QCUCIEBMQITPQC-UHFFFAOYSA-N 336.410 4.132 0 50 EIAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2cscn2)cc1 299774646 IMMCRYNHROKJRJ-MRXNPFEDSA-N 345.468 4.233 0 50 EIAA Brc1cncc(C2(c3nc(C4CCCCC4)no3)CC2)c1 329343451 TVDLMEZVSQSVJH-UHFFFAOYSA-N 348.244 4.355 0 50 EIAA Cc1c(NC(=O)c2cc(F)cc3ccoc23)cnn1C1CCCC1 935672158 PZBXWDQLSDQQFV-UHFFFAOYSA-N 327.359 4.444 0 50 EIAA c1ccc(C2CCC(NCc3nc(C4OCCO4)cs3)CC2)cc1 952882479 FWPZXQGJHXDRMO-UHFFFAOYSA-N 344.480 4.005 0 50 EIAA Clc1cncc(Cl)c1-c1nccn1-c1ccc2c(c1)COC2 1772812064 HIABKRFSOJTZAZ-UHFFFAOYSA-N 332.190 4.271 0 50 EIAA C[C@H](CN[C@@H](Cn1ccnc1)c1ccc(F)cc1)c1cccc(F)c1 2325745007 LQVNILLLQDQROK-QRWLVFNGSA-N 341.405 4.296 0 50 EIAA Fc1cc(COC2CCCCC2)cc(-c2ncnc3c2COC3)c1 2325786896 VOIDROPZVAWPJL-UHFFFAOYSA-N 328.387 4.162 0 50 EIAA CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1cc(C)ccc1C)C2=O 122312 NWOOEPPGHWSKDV-UHFFFAOYSA-N 343.382 4.460 0 50 EIAA COc1cc(NC(=O)Oc2ccc(F)cc2Cl)cc(OC)c1 397661 QMZBLYJZPLIALL-UHFFFAOYSA-N 325.723 4.107 0 50 EIAA C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccccc4)cc3c2C1 444851 DMGILCCXMGQVMS-ZDUSSCGKSA-N 341.432 4.358 0 50 EIAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccc2)on1 614610 JUEYTUHONKVARQ-UHFFFAOYSA-N 348.280 4.493 0 50 EIAA Cc1ccc2nsnc2c1NC(=O)Cc1cccc2ccccc12 616954 SYFBCMNBUXPXJV-UHFFFAOYSA-N 333.416 4.334 0 50 EIAA CCCNC(=O)c1cc(-c2ccccc2OCC)nc2ccccc12 2761463 QREUOMAERYPPTH-UHFFFAOYSA-N 334.419 4.440 0 50 EIAA CCOc1cc(CNCCc2ccccc2)ccc1OCC(C)C 2886050 OMBHHSJTABSWHN-UHFFFAOYSA-N 327.468 4.452 0 50 EIAA COc1ccc(CNCc2ccc(C(F)(F)F)cc2)c(OC)c1 4952873 MGCVYWPQWZPCNR-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA Cc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)c(C)c1 6876592 JZKLEQHCZDNPNN-UHFFFAOYSA-N 342.420 4.175 0 50 EIAA CC(C)c1cc(NC[C@H]2CCCO2)n2ncc(-c3ccccc3)c2n1 7636179 ODBBNDYAPCLGKT-MRXNPFEDSA-N 336.439 4.111 0 50 EIAA Cc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1N1CCCC1=O 11748258 DPYLYBHZXINUKJ-UHFFFAOYSA-N 346.789 4.167 0 50 EIAA COc1ccc(-n2ncc([C@@H](C)NCc3ccsc3)c2C)cc1 12707622 LQNVJTQPIMNKOO-CYBMUJFWSA-N 327.453 4.102 0 50 EIAA Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2F)c2cccnc2)c1 15839869 RLCNFDFYONHOQC-FQEVSTJZSA-N 334.394 4.357 0 50 EIAA CSc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 65331110 WXOINJPPKODSPA-INIZCTEOSA-N 335.432 4.068 0 50 EIAA c1ccc(CCc2c(-c3ccccc3)ncn2Cc2ccncn2)cc1 65451595 NVECQBYGVPBNLY-UHFFFAOYSA-N 340.430 4.174 0 50 EIAA Cc1ccc([C@H](C)NC(=O)c2cc(COc3ccccc3)[nH]n2)c(C)c1 67689025 UWFVGKQCYGYIJY-INIZCTEOSA-N 349.434 4.097 0 50 EIAA Cc1cccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)c1O 71613974 UIFXYDQINCMQOD-MRXNPFEDSA-N 341.426 4.325 0 50 EIAA Fc1ccc(C2=CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 72153932 BMJNLDIEMPQYHU-PZJWPPBQSA-N 328.475 4.179 0 50 EIAA COCCC[C@@H]1CCCCN1Cc1ccc2cccc(OC)c2n1 77320212 LKTKJTYRNAFKPX-SFHVURJKSA-N 328.456 4.025 0 50 EIAA C[C@@H](c1cccc(-c2ccc(C(=O)N(C)C)s2)c1)N1CCCC1 96147993 UPQKAQZLZJGEHF-AWEZNQCLSA-N 328.481 4.274 0 50 EIAA COc1ccccc1[C@H]1C[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 109536969 KLBZFDXRRPJORR-CHWSQXEVSA-N 328.318 4.295 0 50 EIAA NC(=O)c1ccc(Cl)cc1NCc1csc(-c2ccsc2)n1 172872380 KEISCKRBYFNDCA-UHFFFAOYSA-N 349.868 4.236 0 50 EIAA O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCSCC1 174158025 IUCJOPWLXSHNIW-UHFFFAOYSA-N 349.843 4.108 0 50 EIAA C[C@H](C1CC1)n1cc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 186339694 UGTSLJLESIJSRQ-CQSZACIVSA-N 336.439 4.297 0 50 EIAA CCc1ccc([C@H]2CN(C(=O)Nc3ccc4[nH]ccc4c3)CCO2)cc1 192185671 CYYYKEWFNVAWNQ-HXUWFJFHSA-N 349.434 4.336 0 50 EIAA CC[C@@H](c1cccnc1)N(C)C(=O)Cc1c(C)[nH]c2c(F)cccc12 216116878 SGDYUWXQGIGZAC-SFHVURJKSA-N 339.414 4.163 0 50 EIAA C[C@@H](CCN(C)Cc1nc(-c2ccc(F)cc2)cs1)N1CCCC1 219408680 OOMOOYMHEPGZGX-HNNXBMFYSA-N 347.503 4.255 0 50 EIAA Cc1ccc(SCc2cccc(C(=O)NCCCCN)c2)c(C)c1 237774932 KBTLWJQGLMRMEJ-UHFFFAOYSA-N 342.508 4.064 0 50 EIAA CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2Br)C1 238133197 QWFYZASEZUWGCO-NSHDSACASA-N 326.234 4.174 0 50 EIAA O=C(NCCCCc1ccc(Cl)s1)[C@@H]1C[C@H]1c1cccnc1 252500235 SPVFYESNXFYTHB-LSDHHAIUSA-N 334.872 4.039 0 50 EIAA CC(C)Cn1ncnc1CNc1ccc2nc(C3CC3)sc2c1 272159483 FLRSNLOCHWGXDA-UHFFFAOYSA-N 327.457 4.033 0 50 EIAA O=C(C1CCSCC1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 275065021 ZGQBIRBLXMFVBD-IPMKNSEASA-N 329.509 4.314 0 50 EIAA Cn1cc(C(=O)Nc2ccc(Cl)cc2O)c(C2CCCCC2)n1 331858614 DRNPOEGFRAOIRA-UHFFFAOYSA-N 333.819 4.079 0 50 EIAA COCCN1C(=O)CC[C@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 334163289 NNXDTVCOJFXELS-IBGZPJMESA-N 348.446 4.453 0 50 EIAA O=C(c1cccc2c[nH]nc12)N1CCCC[C@@H]1c1ccc(F)cc1F 354999837 CFMNNDCFZDPHTN-QGZVFWFLSA-N 341.361 4.209 0 50 EIAA C[C@@H](c1ccccn1)N(C)C(=O)NCCCSC1CCCCC1 584899168 XZERKJMRTDJIMP-HNNXBMFYSA-N 335.517 4.240 0 50 EIAA O=C1[C@H](Nc2ccc(N3CCCCC3)cc2)CCCN1c1ccccc1 734506649 AOYIGNOAHBJSEV-OAQYLSRUSA-N 349.478 4.284 0 50 EIAA COc1ccccc1[C@H]1CCCN1C(=O)Nc1c(C)noc1C(C)C 932867686 CWKSRXBIYRUAJO-OAHLLOKOSA-N 343.427 4.484 0 50 EIAA Cc1ccc(CN(CCCO)Cc2c(Cl)ccc(C)c2F)cc1 952976544 WOAQVYXZEQXYQM-UHFFFAOYSA-N 335.850 4.481 0 50 EIAA CCSCc1nnc2sc(/C=C/c3ccc(Cl)cc3)nn12 1776111067 SXVYVCRDZGNPRJ-VMPITWQZSA-N 336.873 4.263 0 50 EIAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CC[C@]12CCC(C)(C)C2 2325792839 PHYRJNVVRCXPCE-KUHUBIRLSA-N 348.512 4.140 0 50 EIAA CCCN1CCC[C@@]2(CCCN2Cc2ccc(C)cc2Cl)C1=O 2356136023 DCQQRXHEFNVVMR-LJQANCHMSA-N 334.891 4.015 0 50 EIAA Cc1cc(C)c(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c(C)c1 242869 GHUPYNYAWPEQBT-GOSISDBHSA-N 338.451 4.018 0 50 EIAA Cc1nc(C)c(-c2csc(Nc3cccc(C(=O)O)c3)n2)s1 246697 SSOYFCMOBWMOMS-UHFFFAOYSA-N 331.422 4.325 0 50 EIAA COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C 310381 RHCKQOQKLQGVDH-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA aggregator O=C(NCCc1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1 1186871 PRWAORINXOOJTM-JOCHJYFZSA-N 341.454 4.352 0 50 EIAA CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(OC)cc2)C1 2558458 BWZWUTJHOOOXMM-NSHDSACASA-N 330.453 4.106 0 50 EIAA COCCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 4901896 QOXWDFQWJHRIDS-UHFFFAOYSA-N 348.446 4.285 0 50 EIAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C2CCOCC2)C1 12303495 LITNMXPYSJKYTE-SFHVURJKSA-N 349.474 4.012 0 50 EIAA COc1cc(C)c(C(=O)CCCCCCCCCO)c(O)c1OC 44460320 WBYOLDFLFONXGS-UHFFFAOYSA-N 338.444 4.014 0 50 EIAA CCc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)nc1 55132550 SEFPPZYGWVUARV-UHFFFAOYSA-N 335.426 4.381 0 50 EIAA c1ccc2sc(N3CCC(NCc4ccsc4)CC3)nc2c1 62259679 YSWXPRMHQVWRSQ-UHFFFAOYSA-N 329.494 4.116 0 50 EIAA Cn1ncc(CN2CCC[C@]3(C=Cc4ccccc4O3)CC2)c1C1CC1 65508113 TWVXAMNNAQYWNL-QFIPXVFZSA-N 349.478 4.128 0 50 EIAA CC(=O)c1ccc(CN(C)Cc2nc3cc(Cl)ccc3[nH]2)cc1 67673122 HHNGVEJVPSZODJ-UHFFFAOYSA-N 327.815 4.051 0 50 EIAA Cc1nc([C@H](C)N(C)Cc2ccc(-n3ccnc3)cc2)c(C)s1 67803430 IYXIPVVZTIYXLY-ZDUSSCGKSA-N 326.469 4.139 0 50 EIAA CCCC[C@H]1C=CCN1C(=O)Nc1cc(NC(=O)CC)ccc1F 97743479 BUVJQACLODSKPX-AWEZNQCLSA-N 333.407 4.137 0 50 EIAA Fc1ccc([C@H]2CN(Cc3cccc(-c4cccnc4)c3)CCO2)cc1 179427257 IJTXODCUFRTECU-JOCHJYFZSA-N 348.421 4.461 0 50 EIAA Cc1oc(-c2ccccc2Cl)nc1CN(C)[C@@H](C)c1ccncn1 200588240 ZTUSKSROIMVRRL-LBPRGKRZSA-N 342.830 4.286 0 50 EIAA Cc1nc(-c2ccc([C@H](C)N3CCCCC3)cc2)c2c(C)noc2n1 215484415 RJVFXNZKQSREDJ-AWEZNQCLSA-N 336.439 4.449 0 50 EIAA Cc1ccc(C[C@H](C)N[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 244748649 OLRLMHLCUMQKRH-YJLSESQESA-N 327.512 4.235 0 50 EIAA Cc1ccc(F)c2[nH]c(C(=O)Nc3n[nH]c4c(Cl)cccc34)cc12 1295329496 BTSWDSCLLXKUAX-UHFFFAOYSA-N 342.761 4.397 0 50 EIAA CC(C)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 1475164675 VCUXRZIUUXUBSN-LJQANCHMSA-N 329.465 4.336 0 50 EIAA Cc1ccc2c(C)cc(N3CCC(O)(c4cccnc4)CC3)nc2c1C 1529161785 PQFOEDPUDJLFIH-UHFFFAOYSA-N 347.462 4.043 0 50 EIAA CC(C)[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875330377 PKOCWAPBSQLXAK-CYBMUJFWSA-N 340.389 4.486 0 50 EIAA CC[C@@H](c1ccc(N)cc1)[C@@H](CC)c1ccc(S(=O)(=O)O)cc1 2299912198 JWAHHMRQTMJQAJ-ROUUACIJSA-N 333.453 4.203 0 50 EIAA O=C(CCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 38583 ZMALROPHAZGAJH-UHFFFAOYSA-N 337.206 4.351 0 50 EIAA Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1C 454255 ZIQZKLICZHUGHQ-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccccc1O)NCCc1ccccc1 553858 DRUUMMCXHFJBBY-OAQYLSRUSA-N 345.442 4.273 0 50 EIAA COc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 567316 TUELMJUVFRQJIR-GFCCVEGCSA-N 335.856 4.146 0 50 EIAA Cc1cc(OCC(=O)Nc2ccccc2)c(C)cc1Br 1065969 MDJSLEJDPQBHCZ-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA CCOc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1OCC 2819108 LQOLLGKESGTXGH-UHFFFAOYSA-N 346.452 4.072 0 50 EIAA CCCCOc1ccccc1/C=C1/N=C(c2cccc(F)c2)OC1=O 2850020 SPLXZZBPSBEDIW-GHRIWEEISA-N 339.366 4.349 0 50 EIAA O=C(O)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 2855863 XHQMTGOYUPVLHP-UHFFFAOYSA-N 340.326 4.213 0 50 EIAA Cc1ccc(-c2cnn3c(NCc4ccccn4)cc(C)nc23)cc1 5322719 FKSVEZHOTYYEAZ-UHFFFAOYSA-N 329.407 4.020 0 50 EIAA Cc1ccc(NC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 6743813 MXQZNCNWUILRIL-UHFFFAOYSA-N 336.395 4.017 0 50 EIAA COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)c1 13744475 KDABDOUJRXKEOG-LBPRGKRZSA-N 349.814 4.072 0 50 EIAA O=C(CCNc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 25539924 WQMUHXZCEHRRGZ-UHFFFAOYSA-N 333.231 4.206 0 50 EIAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)CCCC(=O)O 64859612 VPXVODYVPILPRC-CLQAUIESSA-N 336.472 4.158 0 50 EIAA in-vitro CCc1ccc2nc(NC3CCN(C(=O)C(C)C)CC3)cc(C)c2c1 65460102 XVJRINVXDJGQRB-UHFFFAOYSA-N 339.483 4.165 0 50 EIAA O=C1CC[C@@]2(CCCN(CCCCCF)C2)CN1Cc1ccccc1 72412527 DXLSJLKTZOAYKV-OAQYLSRUSA-N 346.490 4.031 0 50 EIAA Cc1cc([C@H]2CCCN2C(=O)CCc2c[nH]c3c(C)cccc23)on1 169995628 PMMBDLYJEZAJTJ-QGZVFWFLSA-N 337.423 4.069 0 50 EIAA Cc1cc(NC(=O)N(C)CCC2CCCCC2)n(-c2ccccn2)n1 171172940 ZTKOCKXCHRULDU-UHFFFAOYSA-N 341.459 4.010 0 50 EIAA C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1scnc1-c1ccccc1 252523251 CEKQRIMBSBQBJH-YVEFUNNKSA-N 336.416 4.313 0 50 EIAA C[C@H](NC(=O)Nc1ccsc1Cl)[C@@H]1OCCc2sccc21 297871671 QEQLQGLUETZQTF-UFBFGSQYSA-N 342.873 4.287 0 50 EIAA COc1cc(C)c(NC(=O)c2ccnn2-c2ccccc2)c(C)c1C 345338037 BYZQZWLALCPCSJ-UHFFFAOYSA-N 335.407 4.058 0 50 EIAA Cc1ncc(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)c(C2CC2)n1 366956168 SWEGAUJHROZBJD-RDTXWAMCSA-N 335.451 4.071 0 50 EIAA Cc1oc2ccc(NC(=O)N3CCC[C@H]3c3ccnn3C)cc2c1C 930897693 PYXOARBEARMJFY-KRWDZBQOSA-N 338.411 4.152 0 50 EIAA Cc1cc(Cl)c(NC(=O)N2CCC(c3ccn(C)n3)CC2)cc1C 931598553 LERJSOOXMGQDRN-UHFFFAOYSA-N 346.862 4.102 0 50 EIAA Cc1cc(CN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)c2ccccc2n1 1775959719 SBSIARWFLHVCDM-YOEHRIQHSA-N 336.439 4.003 0 50 EIAA C[C@H]1CC(CNC(=O)c2cc(O)nc(-c3ccccc3)c2)C[C@H](C)C1 1875336966 LVUNGQOQCXEBPZ-HUUCEWRRSA-N 338.451 4.256 0 50 EIAA C[C@H](NCc1cncc2c1CCC2)c1cccc(-c2ccncc2)c1 2325773972 KTXCIJUTFRTQSZ-INIZCTEOSA-N 329.447 4.483 0 50 EIAA CC(C)(C)c1ccc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2356165896 KATISOGGEBTAFY-QFIPXVFZSA-N 340.511 4.104 0 50 EIAA CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1 44953 GOLORTLGFDVFDW-UHFFFAOYSA-N 333.391 4.183 0 50 EIAA biogenic COc1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 1059405 MJXFXCKPLRKAOP-UHFFFAOYSA-N 342.420 4.344 0 50 EIAA CC(=O)c1ccc(NC(=O)CCCOc2cc(C)ccc2C)cc1 1779272 ZMLDGZSRMFCDDI-UHFFFAOYSA-N 325.408 4.304 0 50 EIAA CCOc1ccc(S(=O)(=O)Oc2cccc3ccccc23)cc1 2182572 BFLMMJKDFNZCGE-UHFFFAOYSA-N 328.389 4.006 0 50 EIAA CCCCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 2870178 OBORLFSMQNBOJK-UHFFFAOYSA-N 331.843 4.491 0 50 EIAA CCCCCCOc1ccccc1NC(=O)O[C@@H]1CN2CCC1CC2 4566637 IFQNIPQGVPLRDO-LJQANCHMSA-N 346.471 4.288 0 50 EIAA COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1 5138167 VTRWMTJQBQJKQH-UHFFFAOYSA-N 330.453 4.188 0 50 EIAA biogenic,in-vitro C[C@@H]1CCCCN1C(=O)c1cccnc1-c1nc2ccccc2s1 6703565 CVIUBHZEEAYPAC-CYBMUJFWSA-N 337.448 4.373 0 50 EIAA O=c1cc(-c2ccccc2)nc(Nc2cccc(C(F)(F)F)c2)[nH]1 8844057 NKINUPRRPNHKNN-UHFFFAOYSA-N 331.297 4.199 0 50 EIAA O=C1CC[C@H](CCNCc2ccccc2F)N1C1CCCCCCC1 12134819 NHLIZROZLMZLLZ-LJQANCHMSA-N 346.490 4.409 0 50 EIAA c1ccc(Cc2noc(CN3CC[C@@H](C4CCCCC4)C3)n2)cc1 12297442 LXRRFZRRYIHCPT-GOSISDBHSA-N 325.456 4.063 0 50 EIAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 12380871 BCBKLVQGVPODDA-AWEZNQCLSA-N 348.402 4.204 0 50 EIAA O=C(c1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1)N1CCCCC1 19228772 VKESPKWXXRDRFB-UHFFFAOYSA-N 331.419 4.370 0 50 EIAA C[C@@H](CCCC(C)(C)O)CCNC[C@H]1CCN(c2ccccc2)C1 32582127 HVSLWNDFMZVPDM-RBUKOAKNSA-N 332.532 4.070 0 50 EIAA Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)N3CCCC3)c2c1 37867346 DUOGOCMTCVNNMH-UHFFFAOYSA-N 331.419 4.150 0 50 EIAA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cn2ccnc2)cc1 38860489 OSXANKWFZOQAMU-UHFFFAOYSA-N 345.324 4.203 0 50 EIAA Cc1cc(C)c(C)c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1C 55120394 NDLBWEBBGZDQDR-INIZCTEOSA-N 330.497 4.014 0 50 EIAA Cc1ccccc1-c1ncc(CN2CCC[C@H]2c2nonc2C)s1 65382851 VTSOXYNRSMFSOY-INIZCTEOSA-N 340.452 4.147 0 50 EIAA Cc1cc2c(c(-c3nc4c(C)ccc(F)c4cc3C)c1)O[C@@H](CN)C2 67742538 APADLPRNAKALPF-OAHLLOKOSA-N 336.410 4.228 0 50 EIAA Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)nn1 72436944 AIXRRXDFGSBTAI-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA CCCNC(=N)c1c(-c2ccc(Br)cc2)ccnc1C 72447016 JMYICBZMSDCETK-UHFFFAOYSA-N 332.245 4.144 0 50 EIAA Cc1ccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)s1 95511126 JOVPZXZKUWASLX-UHFFFAOYSA-N 343.496 4.073 0 50 EIAA Cc1cc([C@@H]2CCCCN2Cc2cc(F)ccc2-n2cccn2)no1 97463469 PBZJXARKPSCIOZ-IBGZPJMESA-N 340.402 4.035 0 50 EIAA Cc1nc(C)c(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)s1 153545980 VBIBDBZFHNCCCT-UHFFFAOYSA-N 341.314 4.172 0 50 EIAA Cc1ccc2nc3c(c(C(=O)N(C)CC(F)(F)F)c2c1)CCCC3 225504698 QTDDDYCUMDEJEH-UHFFFAOYSA-N 336.357 4.056 0 50 EIAA O[C@H](CNCc1ccc(-c2ccccc2)o1)c1c(F)cccc1F 237966453 COEYEVZTLGURBP-QGZVFWFLSA-N 329.346 4.048 0 50 EIAA COCc1ccc(NC(=O)Nc2ccc(-c3nccc(C)n3)cc2)cc1 252506076 VXVGIDFZQPSTNT-UHFFFAOYSA-N 348.406 4.242 0 50 EIAA CC(=O)N1CCCC[C@@H]1c1nc(-c2c(Cl)cccc2Cl)no1 285098213 NEUDIIJZXJIXMF-GFCCVEGCSA-N 340.210 4.117 0 50 EIAA CCNC(=O)c1ccc(NCc2ccc3c(c2)CC(C)(C)O3)c(C)c1 327654547 WSHNDKALLSEIAJ-UHFFFAOYSA-N 338.451 4.070 0 50 EIAA CN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 623208803 YKAYEAZKCYLPDH-INIZCTEOSA-N 330.815 4.165 0 50 EIAA FC(F)(F)c1ccccc1CN1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857739402 RNJBLMHNPJKAQF-LESCRADOSA-N 338.417 4.012 0 50 EIAA CCCC[C@@H]1CN(Cc2cnc(SCC)nc2)C[C@H](C(C)C)O1 1875249099 GLLRKIBWWOPDEG-IAGOWNOFSA-N 337.533 4.004 0 50 EIAA Cc1coc([C@H]2CCCN2c2ccc(Cl)c(C(F)(F)F)n2)n1 1875392516 GRZQZNUSNHFKAC-SNVBAGLBSA-N 331.725 4.392 0 50 EIAA CCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCCC1)C[C@@H]3O 2084329479 OQRZJFDUFKIVTM-AWEZNQCLSA-N 328.408 4.183 0 50 EIAA COc1ccc(-c2csc(CN3CCC[C@H](OC)C3)c2)cc1F 2356170239 TVVNGCYYEWCWEV-HNNXBMFYSA-N 335.444 4.174 0 50 EIAA CCC(=O)Nc1nc(C)c(-c2csc(NCc3ccco3)n2)s1 73593 GQXXTCGWCDHLPA-UHFFFAOYSA-N 348.453 4.129 0 50 EIAA CC(C)(C)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 322916 FCJWKMUZRCETDX-UHFFFAOYSA-N 330.240 4.395 0 50 EIAA Cc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c(C)c1 439542 LYDXNLIJETZYSP-UHFFFAOYSA-N 327.383 4.356 0 50 EIAA O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)CCCCC3 447814 ZCPNPFBDYUPJBH-UHFFFAOYSA-N 328.462 4.379 0 50 EIAA CCCC(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 455950 XXSZCFRWMYBURQ-UHFFFAOYSA-N 325.648 4.260 0 50 EIAA COC(=O)c1ccc(OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 476279 KXAUEFOHNUNGEP-UHFFFAOYSA-N 346.382 4.402 0 50 EIAA COc1ccc(O[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 514513 UUNPIPBHWVWDLE-GFCCVEGCSA-N 349.814 4.072 0 50 EIAA Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)cccc1C(=O)O 616063 PGVDWUCFYFCTDZ-UHFFFAOYSA-N 341.407 4.008 0 50 EIAA CCOCCCNCc1ccc(OCc2ccccc2C)c(OC)c1 2181878 JEAPGVOCVLADJA-UHFFFAOYSA-N 343.467 4.099 0 50 EIAA CCCCCn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 2721456 RLUVPTIDWKNQRP-UHFFFAOYSA-N 349.478 4.128 0 50 EIAA CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)O)c(C)c2oc1=O 3883069 LSTHDERFUSCPKL-AWEZNQCLSA-N 346.423 4.385 0 50 EIAA biogenic Nc1nnc(SCc2csc(-c3ccccc3Cl)n2)s1 7536095 YHLJRYOOPSBFEV-UHFFFAOYSA-N 340.886 4.190 0 50 EIAA CC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 8477688 ADOMEJUBWXBPRM-UHFFFAOYSA-N 329.421 4.211 0 50 EIAA O[C@@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 36096838 DLYUBSNZMPDBKM-QHCPKHFHSA-N 331.459 4.292 0 50 EIAA CC(C)Oc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)cc1 96153219 QBKPZWAURUXRHF-OAHLLOKOSA-N 342.439 4.221 0 50 EIAA Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 100574596 LIMAMPGWZLQTOH-MRXNPFEDSA-N 341.838 4.387 0 50 EIAA N=c1sc(=S)[nH]c2sc3c(c12)CCN(Cc1ccccc1)C3 101002764 UKTAYVLTKNZRRV-UHFFFAOYSA-N 345.518 4.058 0 50 EIAA CCn1c(SCc2cccc(C(C)C)n2)nnc1-c1ccccn1 123262268 CHVVJPDPDRJGKF-UHFFFAOYSA-N 339.468 4.171 0 50 EIAA CCOCCC1(CNC(=O)c2cc(Cl)ncc2Cl)CCCC1 156080204 FSPOYUSXBNBGPN-UHFFFAOYSA-N 345.270 4.105 0 50 EIAA C[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc2ccccc2c1 194265752 FBQWTTMDWBBPHF-CYBMUJFWSA-N 325.437 4.199 0 50 EIAA CN1CCN([C@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 221529583 DXJSURSEJATFMU-SFHVURJKSA-N 346.883 4.130 0 50 EIAA CC[C@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccc(C)cc1 248160824 ONNPPRPYVMAWSU-QAPCUYQASA-N 342.508 4.243 0 50 EIAA Cc1cnc(-c2noc([C@@H]3CC(C)(C)Oc4ccccc43)n2)s1 333903073 ZPSNMLQTIWKXLY-GFCCVEGCSA-N 327.409 4.195 0 50 EIAA CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1nc(C)sc1C 353552963 ABOGEGXZIVDQQA-JENIJYKNSA-N 330.497 4.201 0 50 EIAA CCCc1nnc(-c2ccccc2C(=O)N(C(C)C)C(C)C)s1 426489720 WHPGLQHADLYHEV-UHFFFAOYSA-N 331.485 4.417 0 50 EIAA CN1CCCC[C@H]1c1nc(-c2cccnc2Oc2ccccc2)no1 888095772 VJZSUPUJADYFMB-INIZCTEOSA-N 336.395 4.081 0 50 EIAA CCSc1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1 952966251 GLZXLWMINWTTDZ-UHFFFAOYSA-N 332.444 4.008 0 50 EIAA O=C(c1ncoc1C(F)(F)F)N1CCC[C@H](c2ccccc2)CC1 1292708161 YMRLFUCRTNTUIQ-ZDUSSCGKSA-N 338.329 4.103 0 50 EIAA CC(C)c1noc([C@@H](C)NCc2cccc(OC3CCCC3)c2)n1 1506431663 UIHBNQUATAPXFB-CQSZACIVSA-N 329.444 4.365 0 50 EIAA CCSCc1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 1775972337 XBRCDNGHUZEZEB-UHFFFAOYSA-N 344.387 4.125 0 50 EIAA Cc1nnc([C@H]2Cc3ccccc3CN2CC=Cc2ccc(F)cc2)o1 1857532021 NZAAHWBYAOWZOL-HXUWFJFHSA-N 349.409 4.330 0 50 EIAA O=C(NC[C@@H]1[C@H]2CCOC[C@H]21)c1cc(-c2ccccc2)ccc1Cl 1875312256 JNGIEQXYPCKVAL-KBAYOESNSA-N 341.838 4.019 0 50 EIAA COc1cc(C(=O)O[C@H](C(C)C)C2CCCCC2)nnc1C1CC1 1875357453 HXPZTZITXUAIPB-GOSISDBHSA-N 332.444 4.124 0 50 EIAA CCO[C@H](C)c1nc(C(=O)O[C@H](C)c2ccc(Cl)cn2)cs1 2325807172 GEWRTYCKFHCXEG-NXEZZACHSA-N 340.832 4.207 0 50 EIAA Cc1cc(Br)ccc1OCC(=O)N[C@H](C)c1ccccc1 37599 OTRALLIMWLKVSH-CYBMUJFWSA-N 348.240 4.014 0 50 EIAA Cc1cc(SCC(=O)Nc2ccccc2F)nc2ccccc12 210991 TTZHDAUXQBPFCZ-UHFFFAOYSA-N 326.396 4.413 0 50 EIAA NC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCCC2 370150 BWGTURDNQVPTSJ-UHFFFAOYSA-N 349.843 4.023 0 50 EIAA COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl 468522 MAYJICXAKPUYBB-UHFFFAOYSA-N 339.844 4.075 0 50 EIAA CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1C 471516 DDWORZBYSILZBN-UHFFFAOYSA-N 341.461 4.105 0 50 EIAA CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccc(Br)cc1 613543 IFXKRMGARRVMNT-HNNXBMFYSA-N 347.212 4.048 0 50 EIAA c1ccc(CNn2c(COc3ccccc3)nc3ccccc32)cc1 3878170 QYGATRJDIBBGDL-UHFFFAOYSA-N 329.403 4.359 0 50 EIAA CCCCC1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1 5028172 KNKJYKPIXNVBEW-UHFFFAOYSA-N 347.499 4.359 0 50 EIAA Cc1ccc(N[C@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2)cc1C 11668140 OXKZQQAKJOGENX-KRWDZBQOSA-N 343.858 4.069 0 50 EIAA Clc1ccccc1CN[C@@H]1CCCc2c1cnn2-c1ccccn1 11668246 BRZGPYZGYRKNEZ-QGZVFWFLSA-N 338.842 4.088 0 50 EIAA O=C(CC(CC(=O)c1ccccn1)c1ccccc1)c1ccccn1 12375973 PHICUFDPDALJBI-UHFFFAOYSA-N 330.387 4.106 0 50 EIAA Cc1sc(NC(=O)C2CCCCC2)c(C(N)=O)c1-c1ccccc1 13327786 JIVNOTQHEVPYAY-UHFFFAOYSA-N 342.464 4.341 0 50 EIAA CN(C)c1ccc(/C=C/C(=O)c2ccc(Br)s2)cc1 48502322 PTLDLBSWTKNYCY-VMPITWQZSA-N 336.254 4.473 0 50 EIAA in-vitro COc1ccccc1CN(C/C=C/c1ccco1)Cc1cccnc1 55393138 QWGNORCJAIUKJD-WEVVVXLNSA-N 334.419 4.399 0 50 EIAA Oc1cc(CC[C@@H]2CCCCN2)cc(-c2cnc3ccccc3n2)c1 71614565 VQPGATAXBIXRMZ-KRWDZBQOSA-N 333.435 4.077 0 50 EIAA O=C(c1cc(C2CC2)on1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71767909 RZUMTVZFDIQFNF-HNNXBMFYSA-N 342.414 4.176 0 50 EIAA COc1ccc(-c2noc(-c3ccc(-c4cccc(O)c4)nc3)n2)cc1 72148253 XWVJFDJIUHABOG-UHFFFAOYSA-N 345.358 4.180 0 50 EIAA CCc1cccc(C)c1NC(=O)Nc1cc(OC)c(OC)c(OC)c1 113521126 DWULRIDIMUJVPL-UHFFFAOYSA-N 344.411 4.227 0 50 EIAA C[C@@H](NCc1ccccc1OCC1CC1)c1ccc2c(c1)OCO2 156284669 RTAAMWRMLPNTDI-CQSZACIVSA-N 325.408 4.055 0 50 EIAA C[C@H](Nc1ccc2nc(C(C)(C)C)sc2c1)c1nnnn1C1CC1 190604587 GFUNXNNJLYVOHJ-JTQLQIEISA-N 342.472 4.088 0 50 EIAA c1ccc([C@@H](NCc2cnc(-c3ccco3)s2)[C@@H]2CCCO2)cc1 193068546 DIKRGGLHOCNTEH-FUHWJXTLSA-N 340.448 4.413 0 50 EIAA COc1ccccc1-c1ccc(-c2ccc(-n3cccn3)cc2)nn1 215735042 XXWNGGUVGQXXKV-UHFFFAOYSA-N 328.375 4.005 0 50 EIAA C[C@@H]1CC[C@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)C[C@H]1C 252584775 CUIDCZRJSDFRHC-RUVNZWMVSA-N 349.540 4.351 0 50 EIAA C[C@@H]1CC[C@@H](Nc2ccc3nc(C4CC4)oc3c2)[C@@H](n2cncn2)C1 285045731 IGILZVYQJRQFNL-VMGRFDJRSA-N 337.427 4.139 0 50 EIAA CCSc1ccc(NC(=O)N2CCCC[C@H]2c2nc(C)no2)cc1 299797529 RRTYHBXFGNRTPW-HNNXBMFYSA-N 346.456 4.249 0 50 EIAA COc1ccc2c(c1)sc(=N)n2Cc1cc(C)cc2cccnc12 334157728 FCRKPIWFGQQAFO-UHFFFAOYSA-N 335.432 4.096 0 50 EIAA C[C@@H](NCc1ccnn1C1CCCC1)c1ccc(Br)cn1 449297566 GQSPSVVSQRZDCV-GFCCVEGCSA-N 349.276 4.007 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(Cc1ccc3cc(O)ccc3c1)C2 1704298001 BIOITBLISCPSNE-NHCUHLMSSA-N 325.452 4.327 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1[C@@H](C)CCC2 151309 LSDNBQJAHQGYHI-NSHDSACASA-N 344.436 4.012 0 50 EIAA CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)CC(C)(C)C2 230363 HMPNSVDJZAEYIL-UHFFFAOYSA-N 337.419 4.389 0 50 EIAA Cc1ccc(NC(=O)c2sc(N)c(C(=O)OC(C)C)c2C)c(C)c1 1003221 JEVHAQAKNBSVMC-UHFFFAOYSA-N 346.452 4.073 0 50 EIAA CCOC(=O)Cc1nnc(Nc2ccc(C)cc2C)c2ccccc12 1254569 HKQZGVNMEXLACI-UHFFFAOYSA-N 335.407 4.096 0 50 EIAA COc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1OC 3246725 CGSWXJJEEVSFSU-UHFFFAOYSA-N 341.190 4.368 0 50 EIAA COc1ccc(NC(=O)c2ccco2)c(NC(=O)C2CCCCC2)c1 4807017 JTTXRPNECXGBRS-UHFFFAOYSA-N 342.395 4.059 0 50 EIAA CC[C@H](C)N(Cc1cccnc1)Cc1ccc(OC)c(O)c1Cl 55053601 DLYQQAYBRCCWCP-ZDUSSCGKSA-N 334.847 4.250 0 50 EIAA CC[C@H](c1ccc(OC)cc1)[C@H](C(=O)OC)c1ccc(OC)cc1 71770753 PQRSCXOSMRYVDS-RTBURBONSA-N 328.408 4.154 0 50 EIAA Cc1cc(C)cc(NC(=O)N2CCCC[C@H]2CCc2nccn2C)c1 72166610 VABILRHBNTZLSR-SFHVURJKSA-N 340.471 4.056 0 50 EIAA COc1ccc(OC)c2nc(-c3cccc(C)c3)c(CN(C)C)cc12 72477918 ZQLFMBLEKNQNRX-UHFFFAOYSA-N 336.435 4.289 0 50 EIAA O=C(c1ccccc1-c1ncc[nH]1)N1CCCCC[C@@H]1c1ccco1 95357883 VVVLKVQRKFJUDT-QGZVFWFLSA-N 335.407 4.427 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@]4(CCCO4)CC3)[nH]c12 97637967 CIIQSYYTNYLRAG-OAQYLSRUSA-N 340.467 4.268 0 50 EIAA C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccccc1Cl 177505741 SQBGEFSJFQOPJB-SNVBAGLBSA-N 327.833 4.160 0 50 EIAA CCCn1cc(N[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 186322439 KWOSOLFHNSDBAO-CQSZACIVSA-N 325.416 4.133 0 50 EIAA Cc1ccc(-c2cccc(CN3CCC(c4nccn4C)CC3)c2)o1 214997663 LBXDHEHRQWSKTI-UHFFFAOYSA-N 335.451 4.368 0 50 EIAA COC(=O)C1=C[C@H](O)C[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C 238782162 JSKOGQSOLMLOJZ-SIPBKJAZSA-N 346.467 4.135 0 50 EIAA biogenic CC(=O)O[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CC[C@@H]3C[C@]312 257346588 VGIBLOMXKRYQHG-GRPNHFIBSA-N 330.468 4.140 0 50 EIAA C[C@H]1CC[C@@H](Sc2nnc(-c3ccncc3)n2CC(F)(F)F)C1 272375942 CQMNCCWEBQXMRJ-CMPLNLGQSA-N 342.390 4.183 0 50 EIAA C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccsc2Cl)C1 282039650 UJPOHAAPVTYDTL-OXHZDVMGSA-N 342.892 4.195 0 50 EIAA Cc1cccc([C@H]2CCCN(C(=O)Nc3ccnn3C(C)C)C2)c1 299794308 IOQCUJKKQRGRBX-KRWDZBQOSA-N 326.444 4.184 0 50 EIAA CC[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nc(C)cs1 355146106 LXHKKJXDWWUNKT-LBPRGKRZSA-N 330.787 4.264 0 50 EIAA CN(C(=O)c1cccc(-c2ccc(F)c(Cl)c2)c1)C1CCOCC1 426642860 FKRTWVSDTSNEEM-UHFFFAOYSA-N 347.817 4.397 0 50 EIAA FC(F)(F)c1cccc([C@@H](NCc2nc[nH]n2)C2CCCCC2)c1 1350377005 NLORJKGCDSJCCV-INIZCTEOSA-N 338.377 4.235 0 50 EIAA O[C@H](CN1CCc2ccccc21)Cn1c2ccccc2c2ccccc21 1775967675 GGZYWFSYMQSEIF-GOSISDBHSA-N 342.442 4.218 0 50 EIAA COc1c(C)cc(C(=O)N[C@H](C)CN(C)CCCC(C)(C)C)cc1C 1875335510 QIUSTKMPQYOUMH-QGZVFWFLSA-N 348.531 4.188 0 50 EIAA Cc1cc(NC[C@@H](O)c2ccccc2Cl)c2ccc(O)cc2n1 2325820502 LVJZNPQZURLFLD-GOSISDBHSA-N 328.799 4.048 0 50 EIAA CCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC(C)C)cc1 137016 WRGLQIOXVKNJIP-UHFFFAOYSA-N 341.407 4.150 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccccn1 617534 LBEAVPKMIUYSRK-HXUWFJFHSA-N 346.430 4.472 0 50 EIAA O=c1c2ccc(Cl)cc2ncn1Cc1ccc(Cl)cc1Cl 2529395 IGPADEPSMXSHDW-UHFFFAOYSA-N 339.609 4.405 0 50 EIAA Cc1ccc(C)c(NC(=O)[C@@H](CC(=O)O)[C@@H](C)c2ccccc2)c1 2810833 BEZCBONOOWRFHY-RDJZCZTQSA-N 325.408 4.137 0 50 EIAA CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1SC 6728988 YJPZYTQHOCSLJK-UHFFFAOYSA-N 342.464 4.143 0 50 EIAA Cc1cccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2O)CC3=O)c1 9935887 PHTKBTUGSMRLKB-CQSZACIVSA-N 345.402 4.147 0 50 EIAA COc1ccc(NC(=O)c2ccc(Br)s2)c(C)c1 13326297 NGXCZMKSFWIWLT-UHFFFAOYSA-N 326.215 4.080 0 50 EIAA C[C@H]1CCCCN1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 14193807 UQQJOQYYLGMZDC-LBPRGKRZSA-N 349.887 4.276 0 50 EIAA Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1Cl 17070673 FCBALOICTOLOND-UHFFFAOYSA-N 335.879 4.131 0 50 EIAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cnc(C)s2)C1 23339207 GJRGTVAXZKBTCD-AWEZNQCLSA-N 346.521 4.268 0 50 EIAA Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 36620824 DJSQGIBTNXTHGR-QGZVFWFLSA-N 338.407 4.135 0 50 EIAA CCCN(CCC)Cc1ccc(C(=O)N(C)[C@@H](C)c2ccon2)cc1 55358067 BIIKFYFNCYOFCH-INIZCTEOSA-N 343.471 4.130 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2sc(C)nc2C)c1 77472518 UXTSCEDYDZRFED-MRXNPFEDSA-N 330.453 4.136 0 50 EIAA CCOC(COc1ccccc1CN(CC)Cc1ccoc1)OCC 170601666 LFVNGVNMKBSPBH-UHFFFAOYSA-N 347.455 4.080 0 50 EIAA CCCC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1cccnc1 222466540 RFHJQLWFRRYVRW-MRXNPFEDSA-N 332.831 4.031 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@@H]2C(=O)O 226591286 FASFRUJAPNQCNC-BQGCOEIASA-N 347.842 4.280 0 50 EIAA Cc1c(C(=O)N(C)CC[C@H]2CCCCO2)[nH]c2ccc(Cl)cc12 243901584 BCXQGAUZJKIBCV-CQSZACIVSA-N 334.847 4.161 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257345964 NTIDOCUQWIFRTK-XTNRYPJZSA-N 334.500 4.179 0 50 EIAA C[C@@H]1O[C@H](C)C[C@@H]1Nc1ccc(NC(=O)N2CCCCCC2)cc1 294889726 YFKWCOPHWYSMNM-VKJFTORMSA-N 331.460 4.072 0 50 EIAA Cc1cc(NC(=O)N(C)Cc2ccc(C)s2)n([C@H](C)C2CC2)n1 299776784 CUZSOHFRHDOKQT-CYBMUJFWSA-N 332.473 4.196 0 50 EIAA CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1 299801434 YEPFCGWTGORHFQ-FQEVSTJZSA-N 348.446 4.476 0 50 EIAA Cc1cc(NC(=O)N2CC[C@H](c3ccccn3)C2)cc(C(F)(F)F)c1 799229067 IBSFKLMNXBFHTC-ZDUSSCGKSA-N 349.356 4.430 0 50 EIAA Cc1ccc(F)c(-c2nccn2Cc2ccc(CN(C)C)cc2)c1F 1857731325 DYNVUKOVGJEOKU-UHFFFAOYSA-N 341.405 4.247 0 50 EIAA O=C(c1cc(-c2ccccc2)n(-c2ccccc2)n1)N1CC2(CCC2)C1 1875267805 DYFVXDOUDSKAFR-UHFFFAOYSA-N 343.430 4.165 0 50 EIAA O=C(O)[C@H]1CN(Cc2ccc(Cl)cc2)Cc2cc(Cl)ccc21 1875321638 PKUDYYBKJQIFFY-INIZCTEOSA-N 336.218 4.177 0 50 EIAA c1cc(CNc2ccc(Oc3ccncn3)cc2)c2cccnc2c1 1875339700 UTBHWYXBRIQNAQ-UHFFFAOYSA-N 328.375 4.429 0 50 EIAA Cc1ccnc2ccc(-c3cccc([C@H](O)Cn4ccnc4)c3)cc12 2325855167 KONBFDLOTASBKA-OAQYLSRUSA-N 329.403 4.140 0 50 EIAA CCC[C@H]1[C@H]2C[C@H](CN(Cc3ccc(C)s3)C2)c2cccc(=O)n21 2356142640 ASEOZFHTWHIIHN-JZXOWHBKSA-N 342.508 4.179 0 50 EIAA O=c1oc2ccccc2cc1-c1nnc(Nc2ccccc2F)s1 244888 JVKQAGUPZIRISA-UHFFFAOYSA-N 339.351 4.194 0 50 EIAA COc1ccc([C@@H](C)NC(=O)c2csc3c2CCCC3)cc1OC 1055296 UFNICLWVGFQCIM-GFCCVEGCSA-N 345.464 4.135 0 50 EIAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)O 5123757 PZTHSMGDNLMKFV-SNVBAGLBSA-N 335.812 4.158 0 50 EIAA COc1ccccc1/C=C/C(=O)Nc1cc(C)ccc1OC(F)F 6787892 FSWXXHGUGNGUHU-CSKARUKUSA-N 333.334 4.257 0 50 EIAA Cc1cc(OCC(=O)/N=c2\[nH]c3ccccc3s2)ccc1C(C)C 9015855 PSHOEQXSPIANKS-UHFFFAOYSA-N 340.448 4.168 0 50 EIAA O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 10516807 HETUYJXLUQLEKI-UHFFFAOYSA-N 349.415 4.031 0 50 EIAA C/C=C(\C)CN1CCC[C@H]1C(=O)Nc1ccc(-c2cscn2)cc1 11874109 GUBQDVJSYYRPSK-QHKMVGIOSA-N 341.480 4.179 0 50 EIAA Cc1cc(NCCc2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 21798982 QMXICIBVJNDUSX-UHFFFAOYSA-N 346.409 4.498 0 50 EIAA Cc1c([C@H]2CC(=O)NCc3nc4ccccn4c32)sc2ccccc12 65426973 CFCXXPISYHUEPC-AWEZNQCLSA-N 347.443 4.009 0 50 EIAA CCCN1CC[C@@]2(CCCN(C(=O)c3cc4ccccc4s3)C2)C1 67804335 KTVQIMMWKZKOJL-FQEVSTJZSA-N 342.508 4.239 0 50 EIAA Cc1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2cccc(C)c2n1 82120620 GURQRRNBRFGHMX-HXUWFJFHSA-N 346.430 4.065 0 50 EIAA O=C(C1=Cc2ccccc2OC=C1)N1CCc2[nH]c3ccccc3c2C1 82156985 JUIGNTVXCKQWEP-UHFFFAOYSA-N 342.398 4.042 0 50 EIAA CC(C)c1cc(CN(C)Cc2cc(CN3CCCC3)cs2)no1 97370275 MKFFNKYIVGDRFM-UHFFFAOYSA-N 333.501 4.087 0 50 EIAA Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1nccn1C(F)F 121031425 FZYYKIMXFQDBLA-NSHDSACASA-N 328.432 4.360 0 50 EIAA Cc1nc(CCCC(=O)N2C[C@H](C(C)C)Nc3ccccc32)cs1 176175473 RRUOFUFIJQZUFZ-QGZVFWFLSA-N 343.496 4.258 0 50 EIAA CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C(=O)O)cc2)cc1 200157459 UCYQVIQLHDTNDX-UHFFFAOYSA-N 327.380 4.077 0 50 EIAA CC(C)(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299790418 BLKAPJRQYABBAR-BBWFWOEESA-N 325.456 4.351 0 50 EIAA CC[C@H]1CC[C@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC1 426258011 XVEWMDFVJKNVDT-MGCOHNPYSA-N 328.338 4.173 0 50 EIAA Cc1ccoc1-c1nnc(NC(=O)c2cnccc2C(C)(C)C)s1 2325750511 XONZKZJSAMEJPN-UHFFFAOYSA-N 342.424 4.051 0 50 EIAA CC(C)CC1(C(=O)O)CCN(Cc2cc3c(F)cccc3[nH]2)CC1 2325773356 OSMNSYUXLAVIHH-UHFFFAOYSA-N 332.419 4.020 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 128875 DUVKOLWEXWCASC-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA COc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1OC 172201 PCMKXACBKLWXOV-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 281391 CQYGCUSVMDHCTG-GFCCVEGCSA-N 334.202 4.116 0 50 EIAA O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccccc1Cl 284367 WYPBZWTVZZGYDM-JXMROGBWSA-N 334.803 4.006 0 50 EIAA CCc1sc(C=O)cc1COc1ccc(Br)cc1 310068 SHCGNVGHFCSGPO-UHFFFAOYSA-N 325.227 4.465 0 50 EIAA COc1ccc(Cl)cc1NCCC(=O)c1ccc(OC)c(OC)c1 409542 HXZQXBUGODWCDY-UHFFFAOYSA-N 349.814 4.051 0 50 EIAA CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 443101 VWICMCADAFLCBH-UHFFFAOYSA-N 349.386 4.034 0 50 EIAA CCCOc1ccc(CCNC(=S)Nc2ccccc2)cc1C 2277791 OYJQGOLVGKJQOY-UHFFFAOYSA-N 328.481 4.313 0 50 EIAA Cc1cc2nc(-c3ccc(Br)cc3)cc(C(F)F)n2n1 2783699 LNJGZJFYDJHFOX-UHFFFAOYSA-N 338.155 4.405 0 50 EIAA N=c1sc(Cc2ccccc2Cl)cn1CC(=O)c1ccccc1 5555005 UAUUUTCJGAUJKO-UHFFFAOYSA-N 342.851 4.156 0 50 EIAA Cc1ccc2oc(C(=O)N3CCN(c4ccccc4)C[C@@H]3C)c(C)c2c1 11667680 BVYACZOWEDCSKK-INIZCTEOSA-N 348.446 4.401 0 50 EIAA FC(F)Oc1ccccc1CN1CCC[C@H](Nc2ccccc2)C1 12201868 CTWIZPJYZKAMEP-KRWDZBQOSA-N 332.394 4.365 0 50 EIAA COc1cccc(CSc2nnc(-c3csc(C)c3)n2C)c1 13325582 ZAYVJXFFVKAFJA-UHFFFAOYSA-N 331.466 4.153 0 50 EIAA CC(=O)c1cccc(NC(=S)NCCc2ccc(Cl)cc2)c1 13497592 RKHVRAPYRZQLEI-UHFFFAOYSA-N 332.856 4.072 0 50 EIAA COc1cc(CNc2cc(C)c3cccc(OC)c3n2)cc(OC)c1 23634514 DLUDWHVUYAVFJA-UHFFFAOYSA-N 338.407 4.181 0 50 EIAA O=C(c1cccc2nccnc12)N1CCCC[C@@H]1c1ccc(F)cc1 77440906 ZUFWGAWZBSDYCP-GOSISDBHSA-N 335.382 4.136 0 50 EIAA Cc1ccc2cccc(C(=O)N3CCC(Cc4ccccn4)CC3)c2n1 172844484 KCYCNVZWSPPEBK-UHFFFAOYSA-N 345.446 4.033 0 50 EIAA Cc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c(F)c1 176627101 SKYNAYNFLRDTNX-UHFFFAOYSA-N 346.365 4.325 0 50 EIAA Cc1nc(CCCC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cs1 176670804 YIYXAJRUFZPUPJ-MRXNPFEDSA-N 346.471 4.005 0 50 EIAA N[C@@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)c1ccccc1 178809928 HFTYITPKSVIFLJ-ROUUACIJSA-N 328.843 4.094 0 50 EIAA Cc1noc2ncnc(N[C@@H]3CCCc4cc(OC(F)F)ccc43)c12 195511766 AUZCKPJDQJHYMF-CYBMUJFWSA-N 346.337 4.017 0 50 EIAA CCc1nc2c(s1)[C@H](N(C)C(=O)c1oc(C3CC3)nc1C)CCC2 241926446 UGGRNYWEEANOHN-CYBMUJFWSA-N 345.468 4.029 0 50 EIAA COCCN(C(=O)c1ccoc1C1CC1)c1nc2ccccc2s1 252508841 XVNWQGDHRDWHQQ-UHFFFAOYSA-N 342.420 4.060 0 50 EIAA C/C=C/[C@@H]1OC[C@@]2(COC(=O)NCCCC)[C@H](C)C=C(C)[C@H]1[C@H]2C 252694441 KQNWOQWLNRLDSK-PFJPDIIESA-N 335.488 4.322 0 50 EIAA biogenic CC(C)(C)c1cnc(NC(=O)N2CCOc3ccc(F)cc3C2)s1 408355572 ARZYKALFGIRLIC-UHFFFAOYSA-N 349.431 4.006 0 50 EIAA O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)C1[C@@H]2CCC[C@@H]12 480528160 OBERLKIETFLNQH-WKFWHQGVSA-N 343.470 4.446 0 50 EIAA Cc1nsc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)n1 674136476 PDDDUPRKXDMFMR-UHFFFAOYSA-N 342.251 4.214 0 50 EIAA COc1ccc([C@@H]2CCN(C(=S)Nc3ccccc3F)C2)cc1 749773490 HMNDLGCTENQXHV-CQSZACIVSA-N 330.428 4.021 0 50 EIAA Cc1noc(-c2ccccc2)c1NC(=O)N[C@H](c1ccccn1)C1CC1 930817196 HHDASHAZCGMRNM-SFHVURJKSA-N 348.406 4.318 0 50 EIAA Cc1ccc(-c2nc(=NCCC3CSC3)c3ccccc3[nH]2)s1 1472903442 CPICSHAINAZXCQ-UHFFFAOYSA-N 341.505 4.254 0 50 EIAA CCc1cc(-c2nc(C3(c4ccccc4)CCNCC3)cs2)ccn1 2356162878 NAMGFDAINIALIZ-UHFFFAOYSA-N 349.503 4.437 0 50 EIAA COc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1Cl 309594 ABLZKZICQWQJOG-UHFFFAOYSA-N 348.855 4.092 0 50 EIAA C[C@@H](NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCCO2 450923 QYBJXYNRWPYONB-CQSZACIVSA-N 333.387 4.102 0 50 EIAA c1ccc(OCCSc2nnc3sc4ccccc4n23)cc1 1788067 GIHHSIWXIBJGDM-UHFFFAOYSA-N 327.434 4.115 0 50 EIAA CC1(C)C[C@@H](C(=O)NCC[C@H](c2ccccc2)c2ccco2)CCO1 2841994 ARBAYEJQTAMILF-ZWKOTPCHSA-N 341.451 4.123 0 50 EIAA biogenic COc1ccccc1NC(=O)c1cccnc1Nc1ccc(F)cc1 2866246 XVCVRIINMBDENS-UHFFFAOYSA-N 337.354 4.225 0 50 EIAA Cc1cc2c(SCC(=O)Nc3cccc(Cl)c3)ncnc2s1 4488363 LHTIKRPTHSOMTG-UHFFFAOYSA-N 349.868 4.384 0 50 EIAA CC[C@H](NS(=O)(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 6489272 OOFWSWYJHGPRPA-RDVIWEACSA-N 339.526 4.021 0 50 EIAA CCC(=O)Nc1cccc(C(=O)Nc2cccc(Br)c2)c1 6703176 NHPLELRLHYWWGK-UHFFFAOYSA-N 347.212 4.050 0 50 EIAA c1ccc(COc2cccc(-c3nc(-c4ccncc4)no3)c2)cc1 7668708 YLIHRGFDOXAOTA-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(C(C)C)cc1 8843794 WGSHFCZVLSQZQG-UHFFFAOYSA-N 338.386 4.091 0 50 EIAA CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2)c1 13839723 AOWNHAWMBIGDJY-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 28291502 YXNWDXDZDZMYCQ-GOSISDBHSA-N 342.508 4.260 0 50 EIAA O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 40828817 MIAQTWNDRFRVOQ-UHFFFAOYSA-N 339.700 4.088 0 50 EIAA COc1cc(CN2CCCC2)ccc1Oc1cccc(NC(C)=O)c1 67974609 HDQRGQDEALDLJM-UHFFFAOYSA-N 340.423 4.042 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)Cc2c(F)cccc2Cl)c(C)s1 82097656 DIVLCUSRTPGZLE-SECBINFHSA-N 340.851 4.315 0 50 EIAA CCn1ccnc1[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 91440212 UCXDBPJPDMIGON-LJQANCHMSA-N 339.483 4.022 0 50 EIAA O=C(Nc1cccc2[nH]ccc12)N(CCO)[C@@H]1CCCc2ccccc21 175365397 CNIVAAIPEQKDJC-HXUWFJFHSA-N 349.434 4.072 0 50 EIAA C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)cc1Cl 237622768 TWCYVCOKCSXSIR-BDJLRTHQSA-N 337.250 4.261 0 50 EIAA CC(=O)N[C@H](CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cccs1 252680163 WUHGQARSDWIAGE-GTACMHHNSA-N 349.496 4.073 0 50 EIAA COc1ccc2[nH]cc(C3CCN(Cc4nccs4)CC3)c2c1 253417269 IEWAXBFDCRAEMF-UHFFFAOYSA-N 327.453 4.013 0 50 EIAA Cc1ccc(-c2noc(-c3cccn3Cc3c(C)noc3C)n2)cc1 263617694 PDFJHPZBKFJSEU-UHFFFAOYSA-N 334.379 4.167 0 50 EIAA C[C@H](Sc1nncn1C(C)(C)C)c1nccn1-c1ccccc1 286784001 ZDGKUIWWOXWQIN-ZDUSSCGKSA-N 327.457 4.072 0 50 EIAA CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc([C@H]2CCOC2)c1 341754651 AYUIWVJCXOBDRX-VQTJNVASSA-N 338.451 4.199 0 50 EIAA CCCC1(O)CCN(C(=O)c2sc3ccc(C)cc3c2C)CC1 952845970 WKRVVEKEOGHFLI-UHFFFAOYSA-N 331.481 4.285 0 50 EIAA NCc1ccc2cc(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)ccc2c1 2325827776 QFFDWJRWVZVXEB-XUTJKUGGSA-N 348.421 4.114 0 50 EIAA Cn1nc(C(F)(F)F)c(C=O)c1Oc1ccc(Cl)cc1Cl 169712 CMSJMPQRMWUIIJ-UHFFFAOYSA-N 339.100 4.351 0 50 EIAA CC1(C)C[C@@H]([C@@H](CC(=O)N2CCCC2)Cc2ccccc2)CCO1 209084 DOBZPVKBUDODLJ-RBUKOAKNSA-N 329.484 4.063 0 50 EIAA O=C(COc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 303486 BJQUPEHTNFPCNO-UHFFFAOYSA-N 345.704 4.256 0 50 EIAA CCn1c(SCc2cccc3ccccc23)nnc1-c1cnccn1 525441 ZXUSTVLMAHMBTB-UHFFFAOYSA-N 347.447 4.201 0 50 EIAA CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 620056 IQEHDORQLVGRFF-UHFFFAOYSA-N 334.778 4.326 0 50 EIAA COc1cccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)c1 1295524 ZSCVLLUIYNXIPR-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA CCCCOc1ccccc1NC(=O)c1cncc(Br)c1 1777609 BWABWNLDWGCFGF-UHFFFAOYSA-N 349.228 4.275 0 50 EIAA Nc1nccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1 2597330 OWABNTQCLHYKEQ-UHFFFAOYSA-N 329.762 4.097 0 50 EIAA Cn1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc2ccccc21 4709922 HXCBSXHARCGEQA-UHFFFAOYSA-N 341.414 4.416 0 50 EIAA CCOc1ccc2nc(NC(=S)NCc3ccccc3)sc2c1 9111521 LIFZRAWVHFKDII-UHFFFAOYSA-N 343.477 4.182 0 50 EIAA C=Cc1ccc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cc1 12387274 QDQBKRZXYMJBGY-QFIPXVFZSA-N 348.490 4.109 0 50 EIAA CCCc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OCO3)cc1 17066763 LGTAEPHTRKQCHR-CYBMUJFWSA-N 326.396 4.251 0 50 EIAA CCCCOc1c(CN(C)[C@H](C)c2cccnc2)cccc1OC 55211618 OLPFAPXUPDYJTQ-MRXNPFEDSA-N 328.456 4.462 0 50 EIAA CC(C)Cc1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)on1 91575121 BQGPCNURLQVHDS-UHFFFAOYSA-N 337.423 4.159 0 50 EIAA CCCC[C@@H]1C=CCN1C(=O)c1ccc(CN2CCCCC2)cc1 95391103 MNDJGNGUUCJSLI-HXUWFJFHSA-N 326.484 4.243 0 50 EIAA C[C@@H](NC(=O)c1ccncc1Br)c1cc2ccccc2o1 124107409 RPUZHWZTRUOHAW-SNVBAGLBSA-N 345.196 4.081 0 50 EIAA Cc1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1 221639922 SEONJKDAZBGXFP-UHFFFAOYSA-N 343.427 4.160 0 50 EIAA O=C(Cc1cccs1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 222967957 MDIDLWHVSVGZCO-SFHVURJKSA-N 342.851 4.245 0 50 EIAA Clc1cc(CNCc2noc3c2CCCC3)c2ncccc2c1 288396195 HOBTVKZPAZOJNB-UHFFFAOYSA-N 327.815 4.045 0 50 EIAA Cc1sc(CC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)nc1C(C)C 293904587 RKKXHOJBVQQBEX-SFHVURJKSA-N 343.496 4.122 0 50 EIAA CC(C)(C)C(=O)Nc1cnn(Cc2csc(C3CCCCC3)n2)c1 332134094 OAXOJHYIHPIXLS-UHFFFAOYSA-N 346.500 4.420 0 50 EIAA CC(C)c1nc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cs1 828207924 KKPVKPLXIXKYGN-ZDUSSCGKSA-N 346.452 4.077 0 50 EIAA Cc1ccc(CNC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)cc1 952963368 JSSJGWDYQGSDML-SFHVURJKSA-N 325.456 4.367 0 50 EIAA Fc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc1F 1857687401 VXFRKNTZHJLOLU-MAUKXSAKSA-N 331.410 4.093 0 50 EIAA Cc1nc(NC(=O)Cc2c(C)noc2C)cc(-c2ccccc2)c1C 1875246815 BANJJFYNANRLNC-UHFFFAOYSA-N 335.407 4.151 0 50 EIAA CC(C)[C@@H](NC(=O)C1CC2(CC(C(=O)O)C2)C1)c1ccc(Cl)cc1 1875277717 AENWKYSVUBMQMU-XFLRMEDYSA-N 349.858 4.044 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)OC2=O 351805 XHDCTUOJVOKGGP-CVEARBPZSA-N 342.222 4.054 0 50 EIAA COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC 450705 QCRTWBQSAPBLAM-UHFFFAOYSA-N 341.338 4.355 0 50 EIAA Cc1cccc([C@H](CC(=O)NCc2ccco2)c2ccccc2)c1O 608540 IFXWCNYAOBEMBK-LJQANCHMSA-N 335.403 4.132 0 50 EIAA O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(Cl)cc1Cl 4776733 FNKLQJJPARKCQQ-UHFFFAOYSA-N 325.151 4.336 0 50 EIAA CCCCC[C@@H](C(=O)Nc1ccc(C)cc1)n1nnc2ccccc21 6398585 UUHQCQQRLNXIQB-IBGZPJMESA-N 336.439 4.500 0 50 EIAA Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(C(C)C)cc1 8021713 HVZKKRUCCJEUOJ-UHFFFAOYSA-N 338.386 4.091 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)CCc2ccccc2Cl)c1 9230958 CZJNNYLPQMJKQW-UHFFFAOYSA-N 330.815 4.260 0 50 EIAA CCc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)nc1-c1ccc(Cl)cc1 20775511 KRRXFVNSYNRUCJ-ZDUSSCGKSA-N 331.847 4.017 0 50 EIAA CSc1cccc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)c1 55197071 OYRRUAPTYQETKH-HXUWFJFHSA-N 330.541 4.106 0 50 EIAA CCCCN(Cc1cccnc1)C(=O)Cc1csc(SCC)n1 55369429 BYSYRNYECVIWPH-UHFFFAOYSA-N 349.525 4.022 0 50 EIAA Cc1csc2ncnc(-c3ccc([C@@H](C)N4CCOCC4)cc3)c12 67724157 YNROFEUFOXJMIM-CQSZACIVSA-N 339.464 4.060 0 50 EIAA CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1cccc(Cl)c1 72139289 HGNKAMXOEGTJQC-UHFFFAOYSA-N 348.815 4.115 0 50 EIAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H](C)c1ccc(O)cc1 91504458 XOGOGRQXVXIJIP-AWEZNQCLSA-N 336.435 4.219 0 50 EIAA COCC[C@H]1CCCCN1C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91663347 TWFQWFPGOLANSN-MRXNPFEDSA-N 328.456 4.124 0 50 EIAA Brc1cccc2c(-c3cnn(-c4ccccc4)c3)n[nH]c12 170622779 GVXAIQCKWTUZQW-UHFFFAOYSA-N 339.196 4.178 0 50 EIAA O=C(c1cc2cc(F)ccc2s1)N1CCCCC[C@@H]1c1ncon1 189607785 YBISTIPYPRPBPT-CYBMUJFWSA-N 345.399 4.181 0 50 EIAA CC(C)N(C(=O)c1cc2c(cn1)OCCC2)c1cnc2ccccc2c1 241316791 LUXXCJXVDYOVPP-UHFFFAOYSA-N 347.418 4.010 0 50 EIAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCCCC[C@H]1c1ccncc1 241969582 UXOVRRGRJJDKIX-ZCNNSNEGSA-N 338.426 4.468 0 50 EIAA C[C@@H](Sc1nncn1C(C)(C)C)c1nccn1-c1ccccc1 286783998 ZDGKUIWWOXWQIN-CYBMUJFWSA-N 327.457 4.072 0 50 EIAA C[C@@H]1O[C@H](C)C[C@H]1Nc1ccc(NC(=O)N2CCCCCC2)cc1 294889721 YFKWCOPHWYSMNM-RVKKMQEKSA-N 331.460 4.072 0 50 EIAA CNc1ccc(-c2cccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)c2)cc1 299798691 SUIHBCYALUHDBO-BGYRXZFFSA-N 332.447 4.434 0 50 EIAA CCc1c(C(=O)Nc2cc(OC)ccc2Cl)cnn1C1CCCC1 408514415 MZKKUNKHFLLGAL-UHFFFAOYSA-N 347.846 4.475 0 50 EIAA COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1ccc(SC)cc1 952978967 MFASDJAMJNSONS-CQSZACIVSA-N 347.455 4.225 0 50 EIAA Cc1ccc([C@@H](CC(F)(F)F)NCc2cnc3[nH]ccnc2-3)cc1 1775986397 ISQYGQOOYMBWDU-CQSZACIVSA-N 334.345 4.001 0 50 EIAA Cc1cc(C)c2c(n1)sc1c(=O)nc(-c3ccc(Cl)cc3)[nH]c12 1875350545 RKSSSJKPGNMFEB-UHFFFAOYSA-N 341.823 4.470 0 50 EIAA FC(F)(F)C1(c2nc(-c3cc(C4CC4)[nH]n3)no2)CC2(CCC2)C1 2325774538 YZDDODJEXHDWEE-UHFFFAOYSA-N 338.333 4.101 0 50 EIAA Cc1cccc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)c1 138411 ANNRUGVSRZIFIV-UHFFFAOYSA-N 338.359 4.455 0 50 EIAA O=S1(=O)c2cccc3cccc(c23)N1Cc1cccc(Cl)c1 184777 MARRQQPMEXEBCX-UHFFFAOYSA-N 329.808 4.202 0 50 EIAA COc1cccc(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)c1 269524 NUHOWEJLDFODTQ-UHFFFAOYSA-N 325.195 4.266 0 50 EIAA O=C(COc1ccccc1Cl)Nc1nc(-c2ccccc2)cs1 274062 DFFIAEJQBSABAP-UHFFFAOYSA-N 344.823 4.481 0 50 EIAA COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)C(C)C 556318 GKGDBLBELVVVOJ-UHFFFAOYSA-N 346.814 4.195 0 50 EIAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N(C)Cc2ccccc2)c1C 620434 IVVPZXIMXISMDU-UHFFFAOYSA-N 345.508 4.422 0 50 EIAA CCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 1441596 JYJIGRPKUKINHG-UHFFFAOYSA-N 335.856 4.044 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)NCCCCc1ccccc1 2739727 SNKVMUQVXNXFMQ-UHFFFAOYSA-N 331.843 4.166 0 50 EIAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCCC1 2882027 DNPSYFYFDRXYQO-UHFFFAOYSA-N 345.892 4.048 0 50 EIAA Cc1cc(S(=O)(=O)NCCC2=CCCCC2)c(Cl)cc1Cl 4387651 CGOMONODMWBMHC-UHFFFAOYSA-N 348.295 4.471 0 50 EIAA CCOc1ccc(-c2oc3cc(Cl)ccc3c(=O)c2O)cc1OC 4770076 SSUJFMZEFRZZFM-UHFFFAOYSA-N 346.766 4.226 0 50 EIAA Cc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1 4978420 SGSVTCJUBQIDLH-UHFFFAOYSA-N 336.479 4.278 0 50 EIAA Cc1ccc(C(=O)n2c(C)cs/c2=N\c2ccc(F)cc2)cc1 6204391 KHHMMXZJJGJQTK-ZZEZOPTASA-N 326.396 4.226 0 50 EIAA O=C(CSc1ccc(-c2cccs2)nn1)Nc1ccccc1F 6858770 SUAHAQFNQGXPRA-UHFFFAOYSA-N 345.424 4.075 0 50 EIAA Cc1ccccc1CS(=O)(=O)Nc1ccc(OC2CCCC2)cc1 10112666 PCBDVIQVSFTATL-UHFFFAOYSA-N 345.464 4.258 0 50 EIAA CSc1ccc(CN2CCN(Cc3cccc(C)c3)CC2)cc1 19781973 AWTGCVQCEABFST-UHFFFAOYSA-N 326.509 4.035 0 50 EIAA Cc1nc(CCN2CCC(Oc3cccc(Cl)c3)CC2)cs1 20820257 FPZYLWYGGVZLPV-UHFFFAOYSA-N 336.888 4.191 0 50 EIAA Cc1noc(-c2ccccc2NC(=O)C2(c3ccccc3)CCCC2)n1 22464106 NNUNILSYILZHIV-UHFFFAOYSA-N 347.418 4.496 0 50 EIAA C=Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCCC)C2)cc1 95358985 RXVPLUVXQGPEKS-LJQANCHMSA-N 337.467 4.346 0 50 EIAA CC(C)SCCNC(=O)Nc1cccc(NC(=O)C2CCCC2)c1 95511075 TWXYUJQHJQCEPC-UHFFFAOYSA-N 349.500 4.078 0 50 EIAA Fc1ccc([C@@H]2CCN2Cc2cnn(-c3cccc(F)c3)c2)cc1 97730033 WABWMDURXXQJNL-IBGZPJMESA-N 325.362 4.098 0 50 EIAA C[C@@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C1CCOCC1 118968223 QNAZFAGLHGSKLB-GFCCVEGCSA-N 345.443 4.062 0 50 EIAA CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)Cc1ccccc1 136751331 FJVJLCHQFIDUCO-HQRMLTQVSA-N 349.515 4.280 0 50 EIAA CN(Cc1nc(-c2ccc(F)cc2F)cs1)C(=O)OC(C)(C)C 170637357 FZAYXDLICIVUNQ-UHFFFAOYSA-N 340.395 4.455 0 50 EIAA O=C(c1ccccc1-c1ccccc1)N1CCC(c2ccncn2)CC1 220320919 HZGFOTDVMLSOJH-UHFFFAOYSA-N 343.430 4.163 0 50 EIAA Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1 225481699 ILQFJXVYYPQLKD-GOEBONIOSA-N 330.225 4.043 0 50 EIAA O=C(O)c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)s1 238048776 QVBHXCHXBICTMP-UHFFFAOYSA-N 331.393 4.020 0 50 EIAA Cc1nc([C@@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)no1 241644748 PTBPVIHBOVAWNT-GFCCVEGCSA-N 340.452 4.296 0 50 EIAA C1CCN2C[C@H](c3noc([C@@H]4CCC[C@H]5CCCC[C@H]54)n3)OC[C@@H]2C1 329638549 YUNKDNANHSCCNZ-CWQOZTLDSA-N 345.487 4.069 0 50 EIAA CN(CCC[C@H]1CCCO1)C(=O)NCc1ccc(Cl)c(Cl)c1 426531890 ZRCHNDCEIWIXTL-ZDUSSCGKSA-N 345.270 4.094 0 50 EIAA COc1ccc([C@H](C)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)cc1Cl 952889574 HSWLDLGVBNEGMI-LNSITVRQSA-N 349.862 4.102 0 50 EIAA C[C@H](NCc1cc(F)cc(Cl)c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952985668 XHYHAWGCGPTNQR-KFWVJJIUSA-N 337.866 4.289 0 50 EIAA COc1cc(OC)c2nc(-c3ccc(OC)c(OC)c3)cc(C)c2c1 1506396358 HGMUBQMYHDUISD-UHFFFAOYSA-N 339.391 4.245 0 50 EIAA CCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)c(C)cc1C 1776002799 DUWILEPCHCDHEK-UHFFFAOYSA-N 333.453 4.120 0 50 EIAA Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4)no3)cc12 1857559497 AVCXUODHLRZJJP-UHFFFAOYSA-N 334.331 4.465 0 50 EIAA COc1ccc(CCC(=O)Nc2cc(C(C)C)c(C(=O)O)s2)cc1 1875291907 PKQCLKKPQUFETE-UHFFFAOYSA-N 347.436 4.150 0 50 EIAA CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(S(=O)(=O)O)cc1 2299912202 KESPDISUXFUMBI-MSOLQXFVSA-N 334.437 4.326 0 50 EIAA Cc1nc2cccc(C(=O)OCc3ccc(-n4ccnc4)cc3)c2s1 2325855016 DOELFPGPIULPIR-UHFFFAOYSA-N 349.415 4.147 0 50 EIAA Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1OC(C)C 29009 RRHMVCIVFSQVRU-UHFFFAOYSA-N 336.435 4.236 0 50 EIAA CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 29203 BZZBSAZUKYYDDG-UHFFFAOYSA-N 330.236 4.209 0 50 EIAA Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)no1 342468 IZFQDZOHKNBUHG-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA Cc1cccc(Cn2c([C@H](O)c3ccccc3)nc3ccccc32)c1 613297 JJCXZKVCFIKTCO-OAQYLSRUSA-N 328.415 4.475 0 50 EIAA O=C(CSc1ccc(Cl)cc1)Nc1cc(F)c(F)cc1F 732310 YEWORDTXPZHRKL-UHFFFAOYSA-N 331.746 4.488 0 50 EIAA O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 4949538 QKBPDVBZTVJMLY-ZJUUUORDSA-N 348.613 4.165 0 50 EIAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C(C)(C)C)cc1 6698105 MJCBJRXMDZWLSO-UHFFFAOYSA-N 349.434 4.306 0 50 EIAA CCCC(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12056039 LHVGTTPGYVOHLV-CQSZACIVSA-N 335.856 4.288 0 50 EIAA CCOc1cc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)ccc1O 12303916 WGCSEDDJBJJBBJ-GOSISDBHSA-N 344.430 4.007 0 50 EIAA C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 13320545 RFTZTFATXLMKOF-PRHODGIISA-N 336.741 4.048 0 50 EIAA Cc1ccc(Cn2ccc(NC(=S)Nc3cccc(C)c3)n2)cc1 13330856 ACFKQVBJGJBLQK-UHFFFAOYSA-N 336.464 4.357 0 50 EIAA CC1(C)[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@]1(C)C(=O)O 22779931 ILDYKPGXKROROM-QFYYESIMSA-N 344.238 4.459 0 50 EIAA C/C(=C\c1ccccc1)CN1CCC[C@H]1c1nc(-c2ccncc2)no1 65398391 WWKWHUZDWBTERO-IDCODDLRSA-N 346.434 4.372 0 50 EIAA Cc1cncc(NC(=O)c2cccc(CN(C)[C@H](C)c3ccco3)c2)c1 67818938 BBBCOMKWAHHSGA-MRXNPFEDSA-N 349.434 4.428 0 50 EIAA C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72426880 YMRZJQFRBDBSCD-OAHLLOKOSA-N 343.442 4.362 0 50 EIAA CCCc1noc([C@H](C)NC(=O)c2cc(C)oc2-c2ccccc2)n1 97495429 GJCQSRJKOFVASI-ZDUSSCGKSA-N 339.395 4.082 0 50 EIAA Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)ccn1 112298526 XGQDCVAQMOKUQC-UHFFFAOYSA-N 327.771 4.259 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCO[C@@H](c2ccsc2)C1 133372493 PHOARYGXQWONMG-CQSZACIVSA-N 336.844 4.315 0 50 EIAA Cc1nn(CC(=O)Nc2cccc3cccnc23)cc1-c1ccccc1 225505947 RYSKATRFSKONLI-UHFFFAOYSA-N 342.402 4.045 0 50 EIAA C[C@@H](NC(=O)CSC/C=C/c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 248382265 WIOSODTYXFGKFS-MVLPNUCASA-N 329.509 4.374 0 50 EIAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cccn1C(C)C 328619350 FTUACBGDHOLCRC-AWEZNQCLSA-N 331.485 4.026 0 50 EIAA Cc1nn(C)c(C)c1CN(C)C(=O)Nc1ccccc1-c1ccccc1 738885420 ULRQPEDLMLUOFC-UHFFFAOYSA-N 348.450 4.368 0 50 EIAA Cc1sc(NC(=O)c2cccn2Cc2ccncc2)nc1C(C)C 855234862 OOODRAHDZGDIDF-UHFFFAOYSA-N 340.452 4.072 0 50 EIAA CCC[C@H]1C[C@H](c2nc(Cc3ccc(C)nc3Cl)no2)CCO1 864096524 CSIXONBNDVLUAF-KGLIPLIRSA-N 335.835 4.080 0 50 EIAA Clc1ccc(SCc2nnc([C@@H]3CC34CCOCC4)o2)cc1 1328216975 ZIQMCHCKFSYGBZ-ZDUSSCGKSA-N 336.844 4.299 0 50 EIAA O[C@H](c1cccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1506427654 YNZCVWGYQQXIAA-HNNXBMFYSA-N 342.386 4.112 0 50 EIAA Cc1nn(C(F)F)cc1N=c1nc(Cl)c2oc3ccccc3c2[nH]1 1875332325 WRGGYZXWZCIHRR-UHFFFAOYSA-N 349.728 4.095 0 50 EIAA O=C1C[C@H](c2cccc(Br)c2)c2cc3c(cc2N1)CCC3 107732 JQUGQXGGDXGFKW-OAHLLOKOSA-N 342.236 4.412 0 50 EIAA O=c1oc2cc(O)ccc2cc1-c1nc2c(s1)CCc1ccccc1-2 379072 XQPOWFAQGLPBMX-UHFFFAOYSA-N 347.395 4.388 0 50 EIAA aggregator Cc1c(Br)cc(C(=O)Nc2nccs2)c(C)c1C 453245 YAYKXBCIDRGAPU-UHFFFAOYSA-N 325.231 4.083 0 50 EIAA CCOC(=O)Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 471256 GYLLFXLZMJOPSH-UHFFFAOYSA-N 339.435 4.342 0 50 EIAA Cc1ccc2cccc(SCC(=O)Nc3ccc(F)cc3)c2n1 520162 PDHRWUDUXKNANH-UHFFFAOYSA-N 326.396 4.413 0 50 EIAA Cn1c(SCc2cccc3ccccc23)nnc1-c1cccnc1 533417 IAOVOBZFTHOSCV-UHFFFAOYSA-N 332.432 4.323 0 50 EIAA O=C(O)c1cccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)c1 2732146 MANOHLGPDCCJJV-UHFFFAOYSA-N 336.672 4.158 0 50 EIAA Cc1ccc(SCCC(=O)NCCSCc2ccco2)cc1 2857047 XCJZGCWRJSUESS-UHFFFAOYSA-N 335.494 4.120 0 50 EIAA Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 2874607 LQZKNNAHENPWES-UHFFFAOYSA-N 335.407 4.096 0 50 EIAA C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC 3973186 ISHXLNHNDMZNMC-VTKCIJPMSA-N 327.468 4.144 0 50 EIAA in-man CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1 4833557 OTFCWUPHOPBYLR-UHFFFAOYSA-N 341.476 4.436 0 50 EIAA Cc1ccc(-c2noc(CN(C)C(=O)CCC3CCCCC3)n2)cc1 7759645 APOBDAGPIJUZDP-UHFFFAOYSA-N 341.455 4.364 0 50 EIAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccccn2)C1 12448655 GQXJEJKGYWJGMI-HNNXBMFYSA-N 328.843 4.138 0 50 EIAA Cc1cccc(-c2n[nH]/c(=N/C(=O)Nc3ccc(C)c(C)c3)s2)c1 18100066 UQAWCXGZCJVEKU-UHFFFAOYSA-N 338.436 4.196 0 50 EIAA O=C1C[C@@H](c2ccc(F)cc2Cl)c2cnn(-c3ccccc3)c2N1 65365039 QUXOUZVUUCCIOQ-AWEZNQCLSA-N 341.773 4.139 0 50 EIAA Cc1noc(C)c1-c1nc(CC(C)C)nn1-c1cccc2cccnc12 65398978 ISKOFGDTIJYNMQ-UHFFFAOYSA-N 347.422 4.286 0 50 EIAA Cn1ccnc1Cn1cnc(-c2ccccc2)c1CCc1ccccc1 65406423 NWGLRSPNVDIJCA-UHFFFAOYSA-N 342.446 4.117 0 50 EIAA Cc1nn(CCC(C)C)c2c1[C@H](CCc1ccccc1)CC(=O)N2 65529569 VIGQSQGBNUWBLM-QGZVFWFLSA-N 325.456 4.296 0 50 EIAA COc1ccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)c(OC)c1 71282929 VEJMEGQQXKNWNH-OAHLLOKOSA-N 341.411 4.139 0 50 EIAA Cc1cccc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)c1O 71613976 UIFXYDQINCMQOD-INIZCTEOSA-N 341.426 4.325 0 50 EIAA CC(C)(C)OC(=O)N1CC(Sc2ccccc2Br)C1 97756680 FZTQQNARWMJJFH-UHFFFAOYSA-N 344.274 4.161 0 50 EIAA Cc1cc(=O)oc2cc3c(cc12)[C@H](C)CC(C)(C)N3CCCC(=O)O 100655483 CORGJZNTIXXSQK-CYBMUJFWSA-N 343.423 4.058 0 50 EIAA O=C(Nc1ccccc1)O[C@H]1[C@H]2CC[C@H]1[C@H](N1CCCCC1)CC2 100707330 WALSPJVXZJWMIB-KANFNMMFSA-N 328.456 4.278 0 50 EIAA Cc1cccnc1[C@H](NC(=O)N[C@@H]1CCc2cc(F)ccc21)C(C)C 172067268 XOYMHSKGLCGDHJ-QZTJIDSGSA-N 341.430 4.213 0 50 EIAA O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccn(C2CCCC2)n1 179854519 RGRZEPOXPCGYTL-UHFFFAOYSA-N 345.353 4.064 0 50 EIAA CCCCc1nc(Cl)c(CN2CCC[C@H]2c2c(C)noc2C)[nH]1 216343850 AKAAQOLNMRMZSY-AWEZNQCLSA-N 336.867 4.348 0 50 EIAA Cn1ccnc1CCCOC(=O)c1ccc(-c2ccccc2Cl)o1 225607792 IQJDHBYTOLAPSO-UHFFFAOYSA-N 344.798 4.123 0 50 EIAA CC(C)(c1csc(-c2cccs2)n1)c1nc([C@H]2CCCO2)no1 252510962 ZSSYYUGECHTEMA-SNVBAGLBSA-N 347.465 4.432 0 50 EIAA Cc1cc(OCCN2CCC[C@@H](CC(=O)O)CC2)ccc1C(C)C 299745883 TUMSFTDVGZUURF-QGZVFWFLSA-N 333.472 4.074 0 50 EIAA N[C@@H]1CC[C@H](NC(=O)c2cccc(-c3cc(Cl)ccc3Cl)c2)C1 426443437 SQIIYHBQXLSNSJ-CABCVRRESA-N 349.261 4.270 0 50 EIAA COc1cccc(COc2ccccc2NC(=O)C2CC2)c1Cl 663977466 ZFMXKLDEDQFWFR-UHFFFAOYSA-N 331.799 4.276 0 50 EIAA Cc1ccccc1[C@H](C)c1noc(-c2ccc(P(C)(C)=O)cc2)n1 904024961 JNSJSQMASREKNQ-AWEZNQCLSA-N 340.363 4.445 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(CCOc1ccc(OC(C)C)cc1)C2 1704341515 VPOGPILOLFJEAP-NHCUHLMSSA-N 347.499 4.134 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 1857524384 OQHMNEGOKQMOFM-FAXLKHNMSA-N 332.484 4.242 0 50 EIAA COc1ccc(COC(=O)[C@@]2(C)C[C@H]2F)cc1SC(F)(F)F 1875309443 SYUKJDQASNSRQK-YPMHNXCESA-N 338.322 4.098 0 50 EIAA CCOc1ccc(-c2nnc(SCCCc3cccnc3)o2)cc1 2325763119 DJXSRRPNBGCXQM-UHFFFAOYSA-N 341.436 4.255 0 50 EIAA CC(=O)Nc1ccc(Oc2nc(C)nc3sc4c(c23)CCC4)cc1 91540 HDYPWSJCBSZHJZ-UHFFFAOYSA-N 339.420 4.239 0 50 EIAA CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C(C)=O)cc1 145491 ZENPAQJYNBTCJS-UHFFFAOYSA-N 334.375 4.358 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccccc2s1 242392 JZQQZJRAGHPBJS-UHFFFAOYSA-N 332.812 4.276 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 440353 AYDLVHUXWYZJFW-IZZDOVSWSA-N 344.414 4.333 0 50 EIAA CC(C)(C)NC(NC(C)(C)C)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-] 1640417 NWMGMQOGFZEEQJ-UHFFFAOYSA-N 344.670 4.094 0 50 EIAA O=C(NCCOc1ccc(F)cc1)c1ccccc1-c1ccccc1 2352444 JNJOCOMEEKPNEB-UHFFFAOYSA-N 335.378 4.302 0 50 EIAA Cc1ccccc1NC(=O)CSc1nccc(-c2cccs2)n1 2808082 AEAOLKKIYNZSQE-UHFFFAOYSA-N 341.461 4.244 0 50 EIAA Oc1nc(SCCOc2ccc(Cl)cc2)nc2ccccc12 4095000 SMHKAPOPXCNRSP-UHFFFAOYSA-N 332.812 4.160 0 50 EIAA C[C@H]1C[C@H](C)CN(CC(=O)N2c3ccccc3CCc3ccccc32)C1 4776938 UXMJITOZBAWGQO-ROUUACIJSA-N 348.490 4.428 0 50 EIAA CCOc1ccccc1OCCN1CCC(Cc2ccccc2)CC1 4845352 JPBNGWPHLUZKBL-UHFFFAOYSA-N 339.479 4.419 0 50 EIAA CC[C@H](NC(=O)c1ccnn1C(F)F)C12CC3CC(CC(C3)C1)C2 6489264 CCERQKNGSGWUMJ-ZJZJNUNYSA-N 337.414 4.003 0 50 EIAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)C2=CCCC2)C1 11873335 ZXUNYVHRRSUEDX-HNNXBMFYSA-N 331.843 4.180 0 50 EIAA CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(Cc3ccccn3)C2)cc1 12306438 IMAMXMWDWGJOIV-GOSISDBHSA-N 336.479 4.474 0 50 EIAA O=C(c1ccoc1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1 12752094 QBTWUOSCXOZEAW-OAQYLSRUSA-N 344.499 4.178 0 50 EIAA COc1cccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c1 14979828 BODMMEJPDMPSCC-QGZVFWFLSA-N 343.854 4.444 0 50 EIAA OC[C@@]1(Cc2ccccc2F)CCCN(CCCC2CCCC2)C1 14980789 VTLWXNORVDNMAS-OAQYLSRUSA-N 333.491 4.413 0 50 EIAA CCc1ccc(NC(=O)N2CCC[C@H]2c2c(C)noc2CC)cc1 33087341 RNAPWNPPRWSDNJ-INIZCTEOSA-N 327.428 4.477 0 50 EIAA Cc1ccc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 55291909 RQGFPFNDZSINRQ-UHFFFAOYSA-N 334.385 4.336 0 50 EIAA CN(C(=O)c1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCCc2ccccc21 77390522 XERNQPRPGOCWFF-HXUWFJFHSA-N 331.419 4.226 0 50 EIAA C[C@@H](Sc1nnc(-c2ccccc2O)[nH]1)c1nc2ccccc2o1 194589077 KRNXJWZFKUXSJQ-SNVBAGLBSA-N 338.392 4.172 0 50 EIAA Cc1cc(C)c(NC(=O)c2n[nH]nc2-c2cccc(Cl)c2)c(C)c1 206652865 NOLUITQKQSFHKA-UHFFFAOYSA-N 340.814 4.303 0 50 EIAA CCOc1ccc([C@@H]2CCCN2CC(=O)N2CCCC[C@H]2CC)cc1 248380078 OUMBSRGZPCIPGD-QUCCMNQESA-N 344.499 4.013 0 50 EIAA C[C@]12CCC3(C[C@@H]1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)CCC[C@H]12)OCCO3 253592453 ZQDFDIIVEXMNKF-ANOHPKFUSA-N 332.484 4.341 0 50 EIAA Fc1c(F)c(I)c(F)c(Cl)c1Cl 263625391 ZMEYBOWOOIKPCD-UHFFFAOYSA-N 326.870 4.015 0 50 EIAA CO[C@@H](C)c1nsc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 369334531 LHNKNQZCOMXVKK-CMPLNLGQSA-N 346.481 4.197 0 50 EIAA Cc1ccc(-c2ncc(CN3CCC(CCO)CC3)s2)cc1C 656247926 GCBRONPHQWWJJO-UHFFFAOYSA-N 330.497 4.021 0 50 EIAA OC[C@@]1(NCc2cccc(CC3CCC3)c2)CCCc2ccccc21 1474123075 KBOPPBJWWCHTTC-QHCPKHFHSA-N 335.491 4.343 0 50 EIAA O=C(Nc1ccccc1)N1CC[C@@]2(c3ccccc3)[C@@H](C1)C2(F)F 2325756058 BUJSEJOGEHZFCY-SJLPKXTDSA-N 328.362 4.127 0 50 EIAA C[C@@H]1CC[C@@H]2CN=C(N[C@H](C)c3ccc(Cl)c(Cl)c3)N2C1 2325863633 QNECPOOAQWUSNE-NQBHXWOUSA-N 326.271 4.114 0 50 EIAA COc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 149046 SIPKQAGKXSTTKR-UHFFFAOYSA-N 338.432 4.390 0 50 EIAA O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1)c1cccs1 172804 HZZUBEVCTSBMHA-UHFFFAOYSA-N 340.379 4.392 0 50 EIAA COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(OC)cc1Cl 294363 AJALOVWJXGIFRK-QWHCGFSZSA-N 331.799 4.099 0 50 EIAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc(C)c1C 442953 PYMCUMWHDZULCD-CMDGGOBGSA-N 333.409 4.095 0 50 EIAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccs2)c1 450927 UTQSIXMUPXYHHE-JTQLQIEISA-N 334.466 4.094 0 50 EIAA CCCc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)c(Cl)cc12 459047 FOOVIFOCGRNSQU-UHFFFAOYSA-N 336.815 4.393 0 50 EIAA Clc1ccccc1-c1nnc2sc(CCc3ccccc3)nn12 612419 HKUPKSIPQYZAGG-UHFFFAOYSA-N 340.839 4.291 0 50 EIAA OCc1nc2ccccc2n1CCCCOc1ccccc1Cl 1926889 PXIPEDNRNSCMQT-UHFFFAOYSA-N 330.815 4.041 0 50 EIAA CCCCOc1ccccc1NC(=O)c1ccc(OC)c(OC)c1 2869988 QDPQKNHHGDQHCY-UHFFFAOYSA-N 329.396 4.135 0 50 EIAA O=C(NCCOc1cccc2ccccc12)c1ccc2ccccc2n1 3000021 NVISGGVCHXTZJF-UHFFFAOYSA-N 342.398 4.197 0 50 EIAA CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 4894070 XSBLEZXJFNXQRF-LBPRGKRZSA-N 336.501 4.271 0 50 EIAA CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccccn1 6731755 CEXAMZXTTKOJJJ-UHFFFAOYSA-N 348.834 4.445 0 50 EIAA COCC[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1 63845951 YIDHCDGRAFMTKD-IBGZPJMESA-N 339.435 4.090 0 50 EIAA O=C1C[C@H](c2ccsc2)c2cnn(Cc3ccccc3Cl)c2N1 65428862 IHBWAACRQLFANZ-CYBMUJFWSA-N 343.839 4.120 0 50 EIAA CC(C)c1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)no1 82108955 IVBOSYNLGKZZGO-HOCLYGCPSA-N 330.403 4.078 0 50 EIAA CC(C)c1noc([C@H]2CCCN2C(=O)c2ccc3sccc3c2)n1 91270178 YLLJYULSRPLVSO-CQSZACIVSA-N 341.436 4.385 0 50 EIAA Cc1cncnc1C1CCN(C(=O)Nc2cccc(Cl)c2C)CC1 96138361 OFJXNOUJXITDQL-UHFFFAOYSA-N 344.846 4.158 0 50 EIAA COc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)c2ccccc2n1 97604066 BRZMUMOHQHEGQT-LJQANCHMSA-N 347.418 4.006 0 50 EIAA Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(F)cc1C)CCC2 111709813 HUFBXVIIWPIQQI-OAHLLOKOSA-N 333.432 4.440 0 50 EIAA CSc1cccc(N(C(=O)c2cccs2)C2CCN(C)CC2)c1 112247821 JWUJOQNXRZCEIL-UHFFFAOYSA-N 346.521 4.211 0 50 EIAA C[C@@H](c1nc(Cc2ccccc2)no1)N1CCCc2ccccc2C1 119403069 ZWHWELCRAFOKDV-INIZCTEOSA-N 333.435 4.170 0 50 EIAA Cc1ncccc1NC(=O)c1cc(Cl)cc(F)c1Br 225811041 SLAWSCPWRCAACZ-UHFFFAOYSA-N 343.583 4.197 0 50 EIAA Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(F)c3)C2)n1 257365565 QWEIVFWIOPDISW-PVAVHDDUSA-N 344.455 4.100 0 50 EIAA Fc1ccc2c(c1)[C@H](N1CCC3(CC1)OCCc1ccsc13)CC2 492468238 UXLSKUZLXTVZQC-GOSISDBHSA-N 343.467 4.439 0 50 EIAA CC1(OCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)CCC1 773208566 OPVIKRRIWIGZKO-FQEVSTJZSA-N 338.403 4.113 0 50 EIAA CCCC[C@@H](C)N(C)C(=O)c1cn(C(C)(C)C)nc1Br 811957678 HKAYSTNMBHZQNE-LLVKDONJSA-N 344.297 4.051 0 50 EIAA CCN1CCC[C@H](n2ccnc2-c2ccc(OC(F)(F)F)cc2)C1 1857668397 GUIHCPOJWXCCKS-AWEZNQCLSA-N 339.361 4.106 0 50 EIAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OC2COC2)cc1 1875387997 IRNGFBQMDLHHSR-UHFFFAOYSA-N 341.451 4.009 0 50 EIAA CCc1c(C(=O)N2CCc3cc(O)ccc3[C@H]2C)oc2ccccc12 2325828972 XBKRXZZXTZWYGT-CYBMUJFWSA-N 335.403 4.460 0 50 EIAA CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc2scc(C)c2[nH]1 2325851166 QZCAHJOBPBAOGH-PIGZYNQJSA-N 346.427 4.183 0 50 EIAA CCC(=O)N[C@@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 46627 KOZHRSWSBHYCNH-CQSZACIVSA-N 345.657 4.474 0 50 EIAA CCCCN(CCCC)C(=O)Cc1ccc(Br)cc1 2774131 SGOKFTNZFDBMKB-UHFFFAOYSA-N 326.278 4.420 0 50 EIAA COc1ccc(NC(=O)CCSc2nc3ccccc3s2)cc1 4118132 MVLDKIOVPULSBE-UHFFFAOYSA-N 344.461 4.426 0 50 EIAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)[C@H]4CCCO4)c3)nc2c1 4512106 XQDIMWBSOSNHMU-GOSISDBHSA-N 336.391 4.229 0 50 EIAA O=C(NC1CCCCCC1)C1CCN(CCCc2ccccc2)CC1 4670386 KODANGJQNRTJCR-UHFFFAOYSA-N 342.527 4.170 0 50 EIAA CCc1cccc(CC)c1NC(=O)CSC(=S)N(CC)CC 4947891 HFKMVMLLUACPDJ-UHFFFAOYSA-N 338.542 4.110 0 50 EIAA O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccccc1F 6699936 HOCDZYJTFIECCE-UHFFFAOYSA-N 327.403 4.456 0 50 EIAA Cc1sc(NC(=O)c2cccs2)c(C(N)=O)c1-c1ccccc1 13328564 DVRVZZXEGFUWAC-UHFFFAOYSA-N 342.445 4.136 0 50 EIAA O=C(Nc1ccc(Br)cc1)N1CCC[C@H]1c1ccco1 15837907 VNWCWSBVCWHVRP-ZDUSSCGKSA-N 335.201 4.411 0 50 EIAA Cc1ccc(-n2nnc(C(=O)Nc3ccccc3C)c2C2CC2)cc1 16649141 FBNLJYYHZNRVNX-UHFFFAOYSA-N 332.407 4.014 0 50 EIAA CCCn1cc(-c2ccnc(N[C@@H]3CCc4ccccc4C3)n2)c(C)n1 48057156 AWDKQTKIKYPWOU-GOSISDBHSA-N 347.466 4.028 0 50 EIAA CC(=O)c1cccc(NC(=O)c2ccc(CN3CCC[C@@H]3C)cc2)c1 65505041 UPIXDTFEOMDLPO-HNNXBMFYSA-N 336.435 4.126 0 50 EIAA C[C@H](c1nccs1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67490918 FVSHPUKLUFHRQK-CQSZACIVSA-N 349.463 4.046 0 50 EIAA COc1ccc(OC)c([C@](C)(O)[C@H](c2ccccc2)c2ccccn2)c1 71767159 TWZHQIAQMJDYBM-YADHBBJMSA-N 349.430 4.138 0 50 EIAA C[C@H](c1ccncn1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 91643689 NPHJFAGNEBQPJS-GFCCVEGCSA-N 341.798 4.223 0 50 EIAA Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)[nH]c2ccccc12 146365891 XBIAMISMZJIZJG-UHFFFAOYSA-N 347.201 4.396 0 50 EIAA CC(C)(C)c1cnc(CCC(=O)N2CCC[C@@H]2c2cccc(F)c2)o1 186988717 YPVPUEICYKMFKD-MRXNPFEDSA-N 344.430 4.408 0 50 EIAA O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCCc2c(O)cccc21 190161413 LUKGRUXCIBSCSO-QGZVFWFLSA-N 334.375 4.106 0 50 EIAA Cc1csc2c(N3CCC(Oc4ccccc4)CC3)ncnc12 192533899 NSCKTJWQYAZIAZ-UHFFFAOYSA-N 325.437 4.048 0 50 EIAA CCCn1ncc(C(=O)N(Cc2ccccc2Cl)C2CC2)c1C 216119782 TVKRIGOMQMCEQD-UHFFFAOYSA-N 331.847 4.060 0 50 EIAA Cc1cnc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)s1 225463868 OMJOATZVNZONNL-UHFFFAOYSA-N 334.872 4.054 0 50 EIAA O=C(Cn1ccc(=O)c2sccc21)c1cccc(Cl)c1Cl 225777385 BIEWAIAWRJWUQQ-UHFFFAOYSA-N 338.215 4.253 0 50 EIAA c1ccc([C@H]2OCC[C@@H]2CNC2CCN(c3ccccc3)CC2)cc1 328644343 ZDAPRYYHDDDGRQ-DENIHFKCSA-N 336.479 4.023 0 50 EIAA O=C(c1cc(F)c(F)cc1Cl)N1CCC(c2nccs2)CC1 370784444 WTLZZYWCUVHIQO-UHFFFAOYSA-N 342.798 4.095 0 50 EIAA O=C(Nc1nc(C2CCC2)cs1)N[C@H]1CCOc2ccccc21 669563399 XTHHVQBQGHMPRB-ZDUSSCGKSA-N 329.425 4.056 0 50 EIAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(F)cc1 826583260 SXWACJKUGMFUEX-CQSZACIVSA-N 340.398 4.093 0 50 EIAA CC1(C)CC(=O)c2cc(C(=O)O[C@H]3CCCCC3(C)C)c(O)nc2C1 1875357200 WUSCDGPCXFKTLH-INIZCTEOSA-N 345.439 4.068 0 50 EIAA Fc1nc(F)c(F)c(NCc2ccc(-c3ccncc3)cc2)c1F 2325737864 OATPGXQODCIHJX-UHFFFAOYSA-N 333.288 4.312 0 50 EIAA Cc1cc(C(F)(F)F)nn1CCN[C@H](C)c1cccc2cccnc12 2325773857 NPUZMHHBJUUOAB-CYBMUJFWSA-N 348.372 4.109 0 50 EIAA COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 118437 KXISAQHOTBGMMH-LBPRGKRZSA-N 343.448 4.220 0 50 EIAA O=C(NCCc1ccc(Cl)cc1)c1ccc(Br)s1 1054817 IVYDVHNGOCPYNY-UHFFFAOYSA-N 344.661 4.137 0 50 EIAA CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 1069327 TXOYBZJLDLKSPO-CYBMUJFWSA-N 343.398 4.196 0 50 EIAA Brc1cccc(OCCCCNCc2ccccc2)c1 2823898 GZILPOOSXBIDBM-UHFFFAOYSA-N 334.257 4.398 0 50 EIAA Cc1ccc(C)c(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 2997503 IADRJDUKTGSKQU-UHFFFAOYSA-N 331.220 4.378 0 50 EIAA Cc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1N1CCCC1=O 11682918 IPZDTOJSDNDDNG-UHFFFAOYSA-N 346.789 4.167 0 50 EIAA O[C@H](Cn1cnc(-c2ccccc2)c1-c1ccncc1)c1ccccc1 65488574 IXMOBZJKTCZTGA-HXUWFJFHSA-N 341.414 4.346 0 50 EIAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 67820365 RMHQDFOZKJPMOD-LJQANCHMSA-N 345.446 4.405 0 50 EIAA Cc1nc([C@@H](C)N(C)Cc2cnc(-c3cccs3)nc2)c(C)s1 72144760 OUKPRIVPGIKTPU-LLVKDONJSA-N 344.509 4.471 0 50 EIAA COc1ccc([C@@H]2CCCCN2C(=O)CCc2scnc2C)cc1 82121782 BUASRRJYFLPPIP-KRWDZBQOSA-N 344.480 4.147 0 50 EIAA Cc1ccnc([C@@H](NC(=O)Nc2cc3[nH]cnc3c(C)c2C)C2CC2)c1 96162668 ONKFYYUBWCEFGG-IBGZPJMESA-N 349.438 4.156 0 50 EIAA O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@H]2CCCC[C@H]21 152775686 QACLUVOROUXUPC-CRAIPNDOSA-N 337.423 4.064 0 50 EIAA C[C@@H](Cc1ccsc1)NC(=O)Nc1nc(-c2ccccc2)ns1 170594797 JNPODUKBWDWGFS-NSHDSACASA-N 344.465 4.019 0 50 EIAA O=C(O)[C@@H](Cc1ccccc1)NCc1cccc(Oc2ccccc2)c1 170612751 GDEYOOGMSBDULQ-OAQYLSRUSA-N 347.414 4.264 0 50 EIAA COC[C@H]1CCCCN1Cc1ccc(OCC=C(C)C)c(OC)c1 215822286 WEAACGXPQBHJNE-GOSISDBHSA-N 333.472 4.041 0 50 EIAA CCN(Cc1ccc(C)o1)C(=O)c1cccc(-c2ccc(C)nn2)c1 426412413 LCIGRRDUCUXTCY-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 821319284 RXGVHCBCASSNMX-UHFFFAOYSA-N 348.805 4.117 0 50 EIAA COc1ncccc1CNCC[C@H](c1ccc(F)cc1)c1ccco1 952967096 HAAAXOFOMWLNTG-GOSISDBHSA-N 340.398 4.134 0 50 EIAA C[C@H]1Cc2cc(-n3ccnc3-c3c(F)cc(F)cc3F)ccc2O1 1772819323 IYMNAGVZPIRFKA-JTQLQIEISA-N 330.309 4.280 0 50 EIAA O=C(Nc1cccc2ccncc12)[C@H]1CCOc2ccc(Cl)cc21 1875259989 NZHBDTCSIGTCIZ-AWEZNQCLSA-N 338.794 4.393 0 50 EIAA COc1cccc([C@@H](CN[C@@H]2CCc3ccsc32)N2CCCC2)c1 1875261232 UTQNUSJZLMYDBX-RTBURBONSA-N 342.508 4.171 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 48278 XHIANXTZRXDSLD-UHFFFAOYSA-N 337.419 4.357 0 50 EIAA Cc1ccc(OC(=O)COc2ccc(Br)cc2)cc1C 129415 XOZMSNBWHBHQRW-UHFFFAOYSA-N 335.197 4.050 0 50 EIAA Cc1ccc2c(c1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 245753 DHSDQWSWBGTPCU-UHFFFAOYSA-N 328.415 4.208 0 50 EIAA Cc1cccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)c1 269549 IUUZUFVSKDVYHW-UHFFFAOYSA-N 348.431 4.171 0 50 EIAA Cc1ccc2nc(NC(=O)CSCc3ccccc3)sc2c1 466680 MRXFSGHNNVZCRC-UHFFFAOYSA-N 328.462 4.477 0 50 EIAA CCOc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 470496 DSYJHDUQZKKPPX-UHFFFAOYSA-N 333.453 4.085 0 50 EIAA Cc1ccc(C(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1 1026467 JFUCRVYXPWNYTQ-UHFFFAOYSA-N 345.427 4.480 0 50 EIAA CCc1cc(OCCOCCN2C[C@@H](C)C[C@@H](C)C2)ccc1Cl 2823025 QRLNFGUEUKAUKK-IYBDPMFKSA-N 339.907 4.276 0 50 EIAA Cc1cc(C)c(OCCN2CCC[C@H](C)C2)c(Br)c1 4906897 ZFQKZRDILMMXGJ-LBPRGKRZSA-N 326.278 4.177 0 50 EIAA CCc1nn2c(Nc3ccncc3)cc(C)nc2c1-c1ccccc1 10383696 HDRFYWKJBXFAEJ-UHFFFAOYSA-N 329.407 4.406 0 50 EIAA CCCN(CCC)C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 11096540 NAYYHNHCMGWXHI-UHFFFAOYSA-N 338.451 4.130 0 50 EIAA C[C@@H](NC[C@@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 12383892 HXFPAKGMNBNTBT-IHJVYAAUSA-N 333.516 4.320 0 50 EIAA CC[C@H](C)N(Cc1cccnc1)Cc1ccccc1Cn1cccn1 55392803 KPYDPBJJZMSKNH-SFHVURJKSA-N 334.467 4.127 0 50 EIAA CC(=O)NC[C@H]1CCCN(Cc2cccc(-c3ccccc3C)c2)C1 67982495 UIIHZHGSOFGIOG-HXUWFJFHSA-N 336.479 4.010 0 50 EIAA CC(C)c1cncnc1-c1cc(O)cc(CC[C@@H]2CCCCN2)c1 71638922 QYNJZMBTMCKEEM-KRWDZBQOSA-N 325.456 4.047 0 50 EIAA COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl 71973679 UNJWJSFDEJPNML-UHFFFAOYSA-N 334.828 4.437 0 50 EIAA Cn1c(C(=O)N2CCCC[C@H]2c2ccccn2)ccc1-c1ccccc1 72447985 KMECDHCZTIDQJF-FQEVSTJZSA-N 345.446 4.455 0 50 EIAA Cc1cc(C(=O)N(C)Cc2ccc(Cl)nc2)c2ccc(F)cc2n1 73718693 PNCLVSLROOZFOK-UHFFFAOYSA-N 343.789 4.003 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N(Cc3ccccn3)C3CC3)c2c1 77428686 OMHULOXCZDAFPT-UHFFFAOYSA-N 345.446 4.305 0 50 EIAA CSc1ccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)cc1 95378559 LLOVULBLQHXEJO-MRXNPFEDSA-N 343.496 4.206 0 50 EIAA CC(=O)Oc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)cc1 125595544 LIDHGVFCHJLMCZ-JOCHJYFZSA-N 346.430 4.019 0 50 EIAA Cc1ccc(CCSc2nnc3ccc(C(F)(F)F)cn23)cc1 170632878 PDQMUVBEKNQUEG-UHFFFAOYSA-N 337.370 4.391 0 50 EIAA CCn1c(NC(=O)c2ncccc2C(F)(F)F)nc2cc(C)ccc21 182509406 RIDWCGIUQNUHMI-UHFFFAOYSA-N 348.328 4.031 0 50 EIAA O=C(Nc1ccc(OCc2ccco2)c(Cl)c1)C1CCC(O)CC1 241657597 PXOFPJKWZUTIDB-UHFFFAOYSA-N 349.814 4.002 0 50 EIAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccnc2)ccc1F 252517702 PAAHHPPGEVDRJE-REPLKXPHSA-N 338.426 4.009 0 50 EIAA CN(CCc1cnccn1)C(=O)Nc1ccc(SC(C)(C)C)cc1 271558127 NTMRNQYNIOWGOQ-UHFFFAOYSA-N 344.484 4.074 0 50 EIAA C[C@H]1CN(C(=O)Nc2ccc(SCc3ccco3)cc2)C[C@@H](C)O1 299755270 FCLVAKVAIJLYEI-OKILXGFUSA-N 346.452 4.213 0 50 EIAA Cc1cc(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cnn1 346602817 ZUCUCGJZLDWGOX-UHFFFAOYSA-N 348.233 4.021 0 50 EIAA O=C(O)c1ccccc1C1CCN(C(=O)c2cccc(Cl)c2)CC1 375354980 GWCCNFRUQKVNJY-UHFFFAOYSA-N 343.810 4.058 0 50 EIAA Cc1sc(C(=O)O)cc1CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 408521821 KIUVEULBXKTGFZ-NHYWBVRUSA-N 333.428 4.272 0 50 EIAA Cc1cc(C)c(C(=O)O)cc1NC(=O)c1cc2cccc(F)c2o1 682619712 QIMSODSIXXNYDU-UHFFFAOYSA-N 327.311 4.139 0 50 EIAA COc1ccc2c(c1)CCN(C(=O)c1[nH]c3c(C)ccc(C)c3c1C)C2 824751172 KUONLXYIRCNCRA-UHFFFAOYSA-N 348.446 4.300 0 50 EIAA O=C(Nc1cc(-c2ccc(F)cc2)no1)[C@@H]1C[C@H]1c1cccs1 1177531462 WYEXVZYRLSCPRP-CHWSQXEVSA-N 328.368 4.284 0 50 EIAA COc1ccc(CN2C[C@H]3C[C@]3(C)C2)cc1OCc1ccccc1F 1772814480 BQYGVLSVQRUCAG-DYESRHJHSA-N 341.426 4.255 0 50 EIAA CC(C)(C(=O)N1CCc2cnccc2C1)c1ccc(Cl)c(Cl)c1 2325806292 BPHJHUDBTFOFKS-UHFFFAOYSA-N 349.261 4.251 0 50 EIAA OC1(c2ccc(Cl)cc2)CCN(Cc2ccc(F)c(F)c2)CC1 212905 TYOYQYODPJHYRB-UHFFFAOYSA-N 337.797 4.102 0 50 EIAA COc1ccccc1NC(=O)c1cc(Br)ccc1Cl 272947 WEJVRROOYASTLS-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA COc1cccc2cc(CC(=O)c3ccc(C(C)C)cc3)c(=O)oc12 318111 HQAFDBCSSUPMQN-UHFFFAOYSA-N 336.387 4.350 0 50 EIAA CCOc1ccccc1C(=O)Nc1ccc(Br)cc1F 373799 JOCSKQWGNDXOMT-UHFFFAOYSA-N 338.176 4.239 0 50 EIAA CC(C)c1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 463902 NZYUIPSQPSJFAB-UHFFFAOYSA-N 339.848 4.111 0 50 EIAA Cc1cc(C)nc(Nc2nc(-c3ccccc3)c3ccccc3n2)n1 1260251 HDZPHZHWGYLABI-UHFFFAOYSA-N 327.391 4.447 0 50 EIAA Cc1ccc(C)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 1376112 ODYHSRUYWURXDP-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA CCOC(=O)[C@H](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O 3136867 BDLOPXJURDNJMB-OAHLLOKOSA-N 348.483 4.298 0 50 EIAA Cc1cc(NC(=O)Cc2cccs2)ccc1NC(=O)c1ccco1 4512100 SVOOELAIRGLMTD-UHFFFAOYSA-N 340.404 4.083 0 50 EIAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc2nsnc12 4727711 AJUSUMTUVOMMQU-UHFFFAOYSA-N 347.827 4.141 0 50 EIAA CCCn1nc(C)c2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc21 20615796 CLRNYMOYVJEXHN-UHFFFAOYSA-N 345.349 4.483 0 50 EIAA O=C(Nc1cccc2c1ccn2Cc1ccccc1)c1ccncc1 61721147 MAEIQBOMHDURCB-UHFFFAOYSA-N 327.387 4.337 0 50 EIAA CC(=O)c1cc(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cs1 77422527 LPWGBNVGVOKBJI-QGZVFWFLSA-N 345.439 4.386 0 50 EIAA Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)ccn1 82106311 GODVZDZFJQWHGL-IBGZPJMESA-N 332.451 4.019 0 50 EIAA CSC[C@H]1CCCN(C(=O)Nc2ccc(-c3cscn3)cc2)C1 95518928 CPDBMZMIQCUBJY-ZDUSSCGKSA-N 347.509 4.417 0 50 EIAA Fc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100644941 GHHSBIVITWSINB-INIZCTEOSA-N 326.762 4.127 0 50 EIAA CCc1nc([C@H](C)NC(=O)NCc2cc3ccccc3o2)cs1 111473265 VLRKJVAPOOWSNN-NSHDSACASA-N 329.425 4.012 0 50 EIAA Cc1cnc(C(C)(C)NC(=O)Nc2cc(F)cc(Cl)c2)s1 153127873 GZTNAYUUVDZOEB-UHFFFAOYSA-N 327.812 4.301 0 50 EIAA CC1CCC(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CC1 155097933 ZEAWTNWYAQEEHG-UHFFFAOYSA-N 338.455 4.046 0 50 EIAA O=C([C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccccc2)CC1 179558106 YFUZGNDXRCDGRL-QFIPXVFZSA-N 349.474 4.388 0 50 EIAA O=C(Cc1cnc2ccccc2c1)N(c1ccccn1)C1CCCC1 191384439 NRHOBVGUFLCWOK-UHFFFAOYSA-N 331.419 4.148 0 50 EIAA CCn1ccc2ccc(CN3CCN(C)[C@H](c4ccccc4)C3)cc21 215700098 NGCFKIXPXHBZDW-QFIPXVFZSA-N 333.479 4.150 0 50 EIAA O[C@@]12CCCC[C@H]1CN(Cc1csc(Nc3ccccc3)n1)CC2 225428758 VVZSLQXGIPZXFA-HNAYVOBHSA-N 343.496 4.014 0 50 EIAA O=C(CN1CCC[C@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 241897346 TXWWDYBOLGTKRI-SFTDATJTSA-N 334.463 4.017 0 50 EIAA O=C(c1cccc(-c2ccc3occc3c2)c1)N1CCC2(CCO2)CC1 426734198 ACUXFGLOHILQDI-UHFFFAOYSA-N 347.414 4.495 0 50 EIAA O=C(N[C@@H]1CC[C@@H]2C[C@H]2C1)c1cc(-c2ccncc2)nc2ccccc12 843738631 FJEAKJNXNOFWJW-IXDOHACOSA-N 343.430 4.215 0 50 EIAA CCSCc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 1772491342 CJBIHFSASDPTMY-UHFFFAOYSA-N 345.280 4.413 0 50 EIAA CC[C@H]1CCc2sc(C(=O)N3CC[C@@H](c4ccccn4)C3)cc2C1 2325738156 VDPQDGAVYSTUJH-LSDHHAIUSA-N 340.492 4.288 0 50 EIAA Cc1sc(C)c(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)c1C(=O)O 2325770620 MTJVGSRIFQXCCP-CYBMUJFWSA-N 349.839 4.134 0 50 EIAA O=C(Nc1ccc(-c2noc(-c3ccccc3F)n2)cc1)c1ccco1 302541 RNJHGMHGVIKKFV-UHFFFAOYSA-N 349.321 4.388 0 50 EIAA COc1ccc(NCC(=O)n2c(C)c(C)c3ccccc32)cc1OC 377083 OOIXDNFRBXXMIY-UHFFFAOYSA-N 338.407 4.028 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 442665 DEDCAMCUCHFFSL-UHFFFAOYSA-N 325.286 4.236 0 50 EIAA CCn1nc(C)c(NC(=S)Nc2ccccc2C(F)(F)F)c1C 612001 NWYUVDDRIUWFOG-UHFFFAOYSA-N 342.390 4.348 0 50 EIAA COc1ccccc1OCCOCCOc1ccc(Cl)c(C)c1 2994778 WYSSJQOFWCSGHO-UHFFFAOYSA-N 336.815 4.131 0 50 EIAA O=C(C[C@H](Nc1cccc(Cl)c1Cl)C(=O)O)c1ccccc1 4593157 DKFMYTUWVPWBLF-ZDUSSCGKSA-N 338.190 4.132 0 50 EIAA Cc1cccc(Cn2nc(C)c(NC(=O)CCc3ccccc3)c2C)c1 6701594 UGLWBFMYYSWLEN-UHFFFAOYSA-N 347.462 4.428 0 50 EIAA CCN1CCC[C@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 11760079 CACIEFVDIKKESN-SFHVURJKSA-N 338.451 4.033 0 50 EIAA Cc1cc(Cl)cc(Cl)c1OCCCN1C[C@H](C)O[C@H](C)C1 16247513 PSZZCODPUZXXGE-BETUJISGSA-N 332.271 4.180 0 50 EIAA COc1ccc([C@@H](C)NC(=O)c2csc(C(C)C)c2)cc1OC 17068630 CFOHHPCLNMFUCJ-GFCCVEGCSA-N 333.453 4.380 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)C2=Cc3ccccc3OC=C2)c(C)s1 95361294 MBTTUTKTMBHVBT-GFCCVEGCSA-N 340.448 4.269 0 50 EIAA CC[C@@H](NC(=O)N[C@H]1CCCc2sccc21)c1c(C)noc1C 130548014 GVBCDQXCOQOVTI-KGLIPLIRSA-N 333.457 4.181 0 50 EIAA C[C@@H](NC(=O)NC1CCOCC1)c1ccc(Cl)c2ccccc12 185518837 HHOAZWRNRALIIF-GFCCVEGCSA-N 332.831 4.032 0 50 EIAA Cc1ccc2nc([C@@H]3CCCN3Cc3ccncc3Cl)[nH]c2c1 216345730 ZGJCIAKJVDQULM-KRWDZBQOSA-N 326.831 4.257 0 50 EIAA CCC[C@@H](C)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 295608698 MCYXNEQXLIXTRC-SNVBAGLBSA-N 334.407 4.304 0 50 EIAA COc1ccc(C(C)(C)C)cc1NC(=O)N(C)CCC[C@H]1CCCO1 299764306 RKYNOWKNCHZKQP-INIZCTEOSA-N 348.487 4.416 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F 455361011 UWQANDUPSFTLDS-MRXNPFEDSA-N 348.397 4.191 0 50 EIAA c1ccc(-c2csc(CNC[C@@H]3COC4(CCCC4)O3)c2)cc1 773413438 GOGDMVWGVYHRBC-QGZVFWFLSA-N 329.465 4.190 0 50 EIAA Cc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCCC3)c2)c1 825157441 ZJELUYRJQWWICK-UHFFFAOYSA-N 328.843 4.497 0 50 EIAA Cc1ccc(N2CCC(N(C)Cc3cnc4ccccc4n3)CC2)cc1 1506427352 VZEGKYWLJDXVHT-UHFFFAOYSA-N 346.478 4.039 0 50 EIAA CCc1nc(O)ccc1C(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1 1857736784 VQECIKMNNIAGHG-UHFFFAOYSA-N 347.418 4.281 0 50 EIAA C[C@]1(c2nc([C@H]3CCC[C@H](C(F)(F)F)C3)cs2)CCC(=O)N1 2325792772 LFYLQYVLMQMNGP-PKFCDNJMSA-N 332.391 4.104 0 50 EIAA O=C(N[C@@H]1CCCc2[nH]ccc21)c1cncc(-c2cccc(F)c2)c1 2325864877 CDYLEGLDEDORAZ-LJQANCHMSA-N 335.382 4.023 0 50 EIAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 427694 BYWSFZUESSMLHH-OAHLLOKOSA-N 337.419 4.335 0 50 EIAA CCc1c(C)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C(N)=O 433770 HQBVASRUGGGOJO-UHFFFAOYSA-N 344.480 4.268 0 50 EIAA O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc(Cl)c1 470670 FVRPCSBJXWXJRA-UHFFFAOYSA-N 336.778 4.092 0 50 EIAA Cc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1Cl 614004 FFOPADAVWOALNG-UHFFFAOYSA-N 330.236 4.244 0 50 EIAA O=C(CC(=O)c1cnc(Nc2ccccc2)s1)Nc1ccccc1 3041109 MMNKSRJIQRZXPD-UHFFFAOYSA-N 337.404 4.098 0 50 EIAA COC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 4020037 QCTICHATLVVKFU-UHFFFAOYSA-N 331.371 4.393 0 50 EIAA Cc1ccc(OC[C@H](O)CN(C)C2CCCCC2)c(C(C)(C)C)c1 4834144 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C[C@H]1CCC[C@@H](C)N1C/C=C/[C@@](O)(c1ccccc1)c1ccccn1 96028192 YOGCIXBRKGGRLY-XQRVJETNSA-N 336.479 4.137 0 50 EIAA CCCc1ccccc1NC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O 163052403 MUGSEDDUKLJCNZ-UHFFFAOYSA-N 338.382 4.180 0 50 EIAA Cc1cc([C@@H](C)NC(=O)N(C)C[C@@H](C)c2nccs2)c(C)s1 182169338 FLQDGWXUZZOPKL-ZYHUDNBSSA-N 337.514 4.328 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@H]1C(=O)O 221031494 VRVLZGWUBIRQEC-GJZGRUSLSA-N 325.449 4.057 0 50 EIAA CO[C@H]1CCCCC[C@@H]1NC(=O)c1cccc(Oc2nccs2)c1 225453860 SHMPGOQNHITHRM-HOTGVXAUSA-N 346.452 4.013 0 50 EIAA Cc1cc(OCCN2CCC[C@H](CC(=O)O)CC2)ccc1C(C)C 299745882 TUMSFTDVGZUURF-KRWDZBQOSA-N 333.472 4.074 0 50 EIAA Cc1c(NC(=O)c2cnn(CC(C)C)c2C)cccc1-c1ncco1 355660093 DUWSFBDFESKJTP-UHFFFAOYSA-N 338.411 4.063 0 50 EIAA COc1ccccc1[C@@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 466005874 MQRNWYRVDIBTSW-OAHLLOKOSA-N 330.472 4.163 0 50 EIAA C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1ncccc1C(=O)O 652429171 ADLXOYYRZREAJT-QWHCGFSZSA-N 332.831 4.057 0 50 EIAA O[C@H]1C[C@@H]2CN(Cc3ccc(Sc4ccc(Cl)cc4)o3)C[C@@H]2C1 1800413512 IORASSDABMEIND-NHAGDIPZSA-N 349.883 4.287 0 50 EIAA O=C(CCCCc1ccc(Br)cc1)Nc1cncs1 2325721040 ZTKZVJYAWIPIDZ-UHFFFAOYSA-N 339.258 4.257 0 50 EIAA O=C(/C=C/c1cncs1)OCCCOc1ccc2ccccc2c1 2325748986 DTWVCNQXHCIEGX-CMDGGOBGSA-N 339.416 4.322 0 50 EIAA O=C(Nc1cccc2ccccc12)N[C@@H](C[C@@H]1CC=CCC1)C(=O)O 2325824199 SZZVTMACEVNCEI-KDOFPFPSSA-N 338.407 4.161 0 50 EIAA Cc1ccccc1C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 309474 OCRAYQVEYGSEER-UHFFFAOYSA-N 338.354 4.141 0 50 EIAA C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 423617 HXJAQGXFQZEBPW-NSHDSACASA-N 349.228 4.119 0 50 EIAA CCOc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 1425209 DCOCFUXXJRWNIA-UHFFFAOYSA-N 326.787 4.394 0 50 EIAA C[C@H]1CCC[C@@H](C)N1CCC[C@](O)(c1ccccc1)c1ccccn1 2020068 APUDBKTWDCXQJA-JQVVWYNYSA-N 338.495 4.361 0 50 EIAA world CC(=O)[C@H](C)Sc1cc(C)nc2c(-c3ccccc3)c(C)nn12 2416118 GFPYOOGWRDKZHA-AWEZNQCLSA-N 325.437 4.083 0 50 EIAA COc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1OC 2526073 HMCBEZZOEOXKJK-UHFFFAOYSA-N 343.766 4.271 0 50 EIAA Clc1ccc(OCCNCc2ccccc2)c(Br)c1 2823786 YWFIICMURPDVQE-UHFFFAOYSA-N 340.648 4.271 0 50 EIAA C[C@@H]1C[C@@H](C)CN(CCOCCSc2ccc(Cl)cc2)C1 2824023 SFMLQAVQSGBTMM-HUUCEWRRSA-N 327.921 4.427 0 50 EIAA CCCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 2861875 MLWKVMVKWGIPHY-UHFFFAOYSA-N 341.407 4.279 0 50 EIAA O=C(CCC(=O)OCCc1ccccc1)Nc1cccc2ccccc12 3145301 DZSHDARDHFDMDN-UHFFFAOYSA-N 347.414 4.344 0 50 EIAA O=C(O)CC1(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 3642135 HRJNUKJWFNXOCP-UHFFFAOYSA-N 329.318 4.069 0 50 EIAA CCOc1ccc([C@@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5041951 IXHFLVNNWBUZKB-LFPRZYRFSA-N 342.483 4.414 0 50 EIAA Cc1cccc(NC(=O)c2nnn(-c3cc(C)ccc3Cl)c2C)c1 8022327 FQDLHKXDCVGFND-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA Cc1ncsc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 11820762 FFQRYCRKKGDSBA-QGZVFWFLSA-N 343.496 4.292 0 50 EIAA O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1F 13948785 OEKUGYLOZFEOKR-UHFFFAOYSA-N 345.370 4.433 0 50 EIAA Cc1ccc(-c2n[nH]cc2CN[C@@H](C)CCCC(C)(C)O)cc1C 15065939 YFAQXHGTSZPHNN-INIZCTEOSA-N 329.488 4.113 0 50 EIAA Cc1sc(NC(=O)Cc2ccccc2)nc1-c1ccc(F)cc1 16605335 CWJCFWJVPYLPBU-UHFFFAOYSA-N 326.396 4.439 0 50 EIAA CC(C)c1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cc1 21806965 JDTBGJCWVBLQJU-UHFFFAOYSA-N 345.752 4.468 0 50 EIAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cccs2)cc1 77469990 NHZPFAVJOMSYAJ-IBGZPJMESA-N 342.508 4.106 0 50 EIAA FC(F)(F)c1cccc([C@H](c2ccccc2)N2CCCNCC2)c1 95470213 PLUYUVZBMJJFKL-SFHVURJKSA-N 334.385 4.090 0 50 EIAA O=C(c1cc[nH]c1)N1CCCC(c2ccccc2)(c2ccccc2)C1 95524138 RFPCEIMKCPXMQO-UHFFFAOYSA-N 330.431 4.237 0 50 EIAA COc1ccc(-c2cc(O)n3nc(-c4ccc(C)cc4)cc3n2)cc1 106299893 DTDODCSDUNUMPR-UHFFFAOYSA-N 331.375 4.086 0 50 EIAA Cc1ccc2c(CC(=O)NCC3(c4cccc(F)c4)CC3)c[nH]c2c1 154436680 HOLCVEJDOCSHRS-UHFFFAOYSA-N 336.410 4.006 0 50 EIAA Cc1ccc(C(=O)C(=O)N2CCCCC[C@H]2c2ccc(C)o2)cc1 170634378 KAKIZTDUHYBZIX-KRWDZBQOSA-N 325.408 4.223 0 50 EIAA O=C(NCc1ccsc1)N[C@H]1CCCOc2cc(Cl)ccc21 180485507 IPKAZYKNJGQORK-AWEZNQCLSA-N 336.844 4.115 0 50 EIAA COc1cccc(-c2nc(Cc3ccc(OC(C)=O)cc3)cs2)c1 225551455 BRDUYMLYHFOTPC-UHFFFAOYSA-N 339.416 4.335 0 50 EIAA O=C(CCc1ccc(F)c(F)c1)NCCCn1ccc2ccccc21 670437047 WLLJRBKJNANOCB-UHFFFAOYSA-N 342.389 4.059 0 50 EIAA O=C(c1ccc(-c2cc(Cl)c(O)cc2F)cc1)N1CCCCC1 1245671989 OISPXIWCAKWOCO-UHFFFAOYSA-N 333.790 4.478 0 50 EIAA Cc1cc(F)c(CC(=O)N2CC(c3ccc(Cl)cc3)C2)cc1F 1306843243 JUBKCYZNYXQCAU-UHFFFAOYSA-N 335.781 4.095 0 50 EIAA CC(C)c1ccc(-c2noc(-c3ccn(-c4ccncc4)n3)n2)cc1 1324219083 UCFLNJUSMPZNKG-UHFFFAOYSA-N 331.379 4.108 0 50 EIAA C[C@H](Oc1ccc(Cl)nc1)c1nc([C@@H](C)c2ccccc2)no1 1875316678 ACCLFKYOLUFHSN-RYUDHWBXSA-N 329.787 4.410 0 50 EIAA COc1cc(S(=O)(=O)Oc2ccc(C(C)C)cc2)c(C)cc1C 1875322979 QHTGPVGICRRBDO-UHFFFAOYSA-N 334.437 4.203 0 50 EIAA C[C@@H](c1ccc(Br)cc1)N1CCc2ccccc2[C@H](O)C1 2325828128 ZOXVKPJDQOMRTJ-SCLBCKFNSA-N 346.268 4.102 0 50 EIAA Fc1ccc(CSc2nnnn2-c2cccc3ccccc23)cc1 60574 LKGTXCLAIXBLPE-UHFFFAOYSA-N 336.395 4.247 0 50 EIAA O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)cc1F 172925 BVCKBSUYHLHXCE-UHFFFAOYSA-N 327.783 4.490 0 50 EIAA COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 222193 LHMPORLAEDKRHM-DLBZAZTESA-N 340.814 4.086 0 50 EIAA COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c1 450801 OJAANQZRIAHETK-CQSZACIVSA-N 341.451 4.492 0 50 EIAA COc1cc2c(cc1O)[C@H](CCc1ccc(Cl)cc1)N(C)CC2 1998271 DSTWURHEHMZWEI-KRWDZBQOSA-N 331.843 4.216 0 50 EIAA in-vitro CCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)c(C)n1 2745785 VRTDZGRHNDKTQF-UHFFFAOYSA-N 349.360 4.056 0 50 EIAA CCCCC(=O)Nc1cccc(NC(=O)c2cccc(OCC)c2)c1 2830347 RLYUSBHJTUTDEG-UHFFFAOYSA-N 340.423 4.466 0 50 EIAA O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1c(F)cccc1F 4841452 UZIMTCAWJAXGAT-UHFFFAOYSA-N 340.373 4.255 0 50 EIAA C[C@@H](NC[C@@H](O)COc1ccccc1C(C)(C)C)c1ccccc1 5073884 QCDAHAHOFXFTEW-SJLPKXTDSA-N 327.468 4.075 0 50 EIAA Cc1c(C)n(Cc2ccccn2)c2ncnc(NCc3ccccc3)c12 8992594 XGPZLVFMRCKARM-UHFFFAOYSA-N 343.434 4.104 0 50 EIAA Cc1ccccc1C[C@@]1(CO)CCCN(Cc2ccccc2Cl)C1 11816417 RFPPJDMWKOEHNR-NRFANRHFSA-N 343.898 4.466 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 12379858 NCMZQTLCXHGLOK-LQPCMESDSA-N 330.468 4.450 0 50 EIAA biogenic Cc1cccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 13324905 HNZNXWVKMUYTMC-UHFFFAOYSA-N 349.887 4.060 0 50 EIAA CC(C)=CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 15068274 QBHNPVKZUXNVHN-KRWDZBQOSA-N 341.430 4.107 0 50 EIAA CC[C@H](C)N(Cc1ccc(Sc2nncn2C)o1)C1CCCC1 63869905 ZNJGNVZYNGOYQR-ZDUSSCGKSA-N 334.489 4.102 0 50 EIAA CO[C@@H]1CC[C@@H]2[C@@]1(C)C(=O)C[C@H]1CC[C@H](C)[C@@H](CCC(C)=O)[C@]21C 71786282 PHAJXBJNUVKPBE-NHGIHJHGSA-N 334.500 4.428 0 50 EIAA OCc1cccc(-n2ccnc2-c2ccc([C@@H]3CCCCO3)s2)c1 72157559 LTWWGWACIGUUKG-INIZCTEOSA-N 340.448 4.335 0 50 EIAA CC(C)c1nnsc1CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 72171315 DHUREVGVMLJRKZ-CQSZACIVSA-N 345.447 4.014 0 50 EIAA COc1cccc(CCNc2nc(C(F)(F)F)nc3ccccc23)c1 72240735 YKIDFUGJPTWPLB-UHFFFAOYSA-N 347.340 4.312 0 50 EIAA CNc1cc(-c2ccc(-c3cn4c(n3)SCC4)cc2)c2cc[nH]c2n1 72432935 HUBDSQUJEALZGB-UHFFFAOYSA-N 347.447 4.241 0 50 EIAA CC(C)(C)c1cc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)[nH]n1 77298293 OVGPLHLBTVJTAE-MRXNPFEDSA-N 341.434 4.060 0 50 EIAA CN(C(=O)c1c[nH]nc1-c1cccs1)[C@@H]1CCCc2ccccc21 77377788 DNTOQJMPCQCPDS-MRXNPFEDSA-N 337.448 4.288 0 50 EIAA Cc1cc(C)c(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 91650553 UUCIWZHDJLKRJY-GOSISDBHSA-N 338.451 4.032 0 50 EIAA Cc1nc(CN(C)[C@]2(CO)CC[C@H](C)C2)oc1-c1ccc(Cl)cc1 170085641 ZJFWYQUUFHJRQS-ORAYPTAESA-N 348.874 4.286 0 50 EIAA Cc1c(CSC(C)C)cccc1NC(=O)NC[C@H]1CCCOC1 173878945 GJYLXYRNHVPQIU-OAHLLOKOSA-N 336.501 4.185 0 50 EIAA CCCC[C@@H]1C(=O)CC[C@H]2[C@@H]1CC(=O)[C@@H]2C/C=C/CCCC(=O)O 204907445 CGCZPIJMGKLVTQ-VUVBZGNFSA-N 334.456 4.178 0 50 EIAA CCc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc1 225782182 AVUMMCKSKHFTQA-OAQYLSRUSA-N 335.451 4.013 0 50 EIAA Cc1c([C@H](C)NCc2ccc(NC(=O)C(C)C)cc2)cnn1C(C)C 242339176 ZFNRVWNVGYUOSA-HNNXBMFYSA-N 342.487 4.218 0 50 EIAA CN(Cc1noc(C2CCCC2)n1)Cc1cncn1C1CCCCC1 244763888 OXDCWTIAPPBXNK-UHFFFAOYSA-N 343.475 4.061 0 50 EIAA CSc1cccc(NC(=O)N2CCC[C@@H]2c2cccn2C)c1C 253417811 DVUOHJQLMHKFII-MRXNPFEDSA-N 329.469 4.424 0 50 EIAA CC(=O)c1cc(F)c(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c(F)c1 253419987 POILVDLYMBQHGV-NWDGAFQWSA-N 335.375 4.280 0 50 EIAA CC(C)c1nc(CNC(=O)CCSCc2ccccc2)cs1 299757197 NSOFALUCJSFBHE-UHFFFAOYSA-N 334.510 4.206 0 50 EIAA Cc1ccn(-c2ccccc2CN[C@@H](C)c2ccc(C(F)F)nc2)n1 657924930 JXJUXCYMTQLCKH-AWEZNQCLSA-N 342.393 4.364 0 50 EIAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1ccc2c(c1)CCC2 1466588700 MCGRLKNMHLSRAC-GFCCVEGCSA-N 337.448 4.118 0 50 EIAA O[C@@H](c1cccs1)C1CCN(c2cccc(C(F)(F)F)n2)CC1 1704314507 UENFFFCBCGCVES-OAHLLOKOSA-N 342.386 4.112 0 50 EIAA CCSc1cccc(F)c1NC(=O)c1cc(C)nn1C1CCC1 1875324425 YFMKAWUZGIPOAW-UHFFFAOYSA-N 333.432 4.420 0 50 EIAA Cn1c(N2CCC(c3ccc(F)c(F)c3)CC2)nc2c(F)cccc21 1875331269 BJSDHYXZERZUEI-UHFFFAOYSA-N 345.368 4.375 0 50 EIAA O=C(OCC1(Cc2ccc(Cl)cc2)CC1)c1ccc2cncn2c1 2325855421 YUMKPLJCHKNMTC-UHFFFAOYSA-N 340.810 4.167 0 50 EIAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccco1 44235 NESYASOWQBQIEX-UHFFFAOYSA-N 341.388 4.437 0 50 EIAA CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 68628 MDNVSEYEYSPHSC-UHFFFAOYSA-N 342.489 4.438 0 50 EIAA O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 284208 KPLILFUHUWGBJG-CQSZACIVSA-N 327.733 4.243 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(C)C)ccc1O 307976 FAGIXKMFRIRKDH-UHFFFAOYSA-N 333.815 4.495 0 50 EIAA CCN(CC)CCOc1nnc(-c2ccc(C)cc2)c2ccccc12 449218 KBWKBBCMGOAGKF-UHFFFAOYSA-N 335.451 4.326 0 50 EIAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 609550 PXOXSXQSQYGPQO-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA COCCSc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 2865313 ZVVPPSBBDHJMGS-INIZCTEOSA-N 343.492 4.176 0 50 EIAA COc1cc(C=O)ccc1OCCOc1cc(C)c(Cl)c(C)c1 2983795 DZDJOWQJXDTQBB-UHFFFAOYSA-N 334.799 4.236 0 50 EIAA CC(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 10333219 VJFCINBLYXPFRO-UHFFFAOYSA-N 325.408 4.153 0 50 EIAA CC(C)CNc1ccnc(NCc2csc(-c3ccccc3)n2)n1 71773506 DGRJOOOHPBSAHD-UHFFFAOYSA-N 339.468 4.280 0 50 EIAA in-vitro FC(F)Oc1cccc(CN2CCCC[C@@H]2CCN2CCCC2)c1 77341813 QRDHPWGAYNEPGU-QGZVFWFLSA-N 338.442 4.128 0 50 EIAA FC(F)(F)c1ccccc1-c1nccn1CC1(Cn2ccnc2)CC1 77517268 WMRUHLUFMBGRHP-UHFFFAOYSA-N 346.356 4.246 0 50 EIAA CCCCCc1ccc(-c2ncccc2C(=O)N(C)C)c(F)c1F 97785090 FQEIJPQRGPNGPK-UHFFFAOYSA-N 332.394 4.461 0 50 EIAA COc1ccc(-n2nc(C)c(Cc3ccccc3Cl)c2O)cc1 100139184 COIYWIOOQXQYID-UHFFFAOYSA-N 328.799 4.139 0 50 EIAA Cc1cc2nnc(S[C@H](C)OC(=O)OC(C)C)n2c2ccccc12 119815322 XSVXGMZARODOND-GFCCVEGCSA-N 345.424 4.191 0 50 EIAA CCCC[C@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)C1CCC1 120941849 NIUZTLJALJUFFQ-KRWDZBQOSA-N 345.443 4.124 0 50 EIAA COC(CCCC(C)(C)CNC(=O)Nc1ccc(Cl)cc1)OC 170619843 SUGNNFYHHKNSFK-UHFFFAOYSA-N 342.867 4.277 0 50 EIAA Cc1cccc2c(CCC(=O)Nc3cnn([C@H](C)C4CC4)c3)c[nH]c12 186356261 LUKGMYRVWFTOSW-CQSZACIVSA-N 336.439 4.215 0 50 EIAA Cc1cc2c(NCc3ccccc3-n3ccnc3C)ncnc2s1 241644423 PQPCJTCMNWXWJW-UHFFFAOYSA-N 335.436 4.106 0 50 EIAA Cc1cc(Br)c2ccccc2c1NC(=O)C1CCOCC1 253428798 FCEPXONDMPRFCC-UHFFFAOYSA-N 348.240 4.276 0 50 EIAA O=C(C[C@H](c1ccccc1)C(F)(F)F)N(Cc1ccncc1)C1CC1 264136821 LIVUYMQYDGIOBL-QGZVFWFLSA-N 348.368 4.309 0 50 EIAA Cc1cc(C)cc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 273329455 TXNMPJKWMVFOQI-WOJBJXKFSA-N 341.426 4.435 0 50 EIAA C[C@H](NCc1noc(-c2ccoc2)n1)c1cccc(Cl)c1Cl 408513801 INXIPJMXDVXKFW-VIFPVBQESA-N 338.194 4.487 0 50 EIAA Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)no1 673722015 RNYJQENSIQGTFO-GOSISDBHSA-N 335.407 4.048 0 50 EIAA CC(=O)[C@@H]1C[C@H](c2nc(-c3cc(C)c4ccccc4n3)no2)C1(C)C 809470921 DYQLUAINENVRBX-LSDHHAIUSA-N 335.407 4.312 0 50 EIAA Cc1ccc(CN2CCC3(CC2)C[C@](C)(O)CCO3)c2ccccc12 1704330441 JFGBJPKHAAWBMG-OAQYLSRUSA-N 339.479 4.044 0 50 EIAA CC1CCC(O)(CN2CC(Cc3ccccc3C(F)(F)F)C2)CC1 1875330959 JMKRCEGTZCUGRZ-UHFFFAOYSA-N 341.417 4.121 0 50 EIAA Cc1ccc2cc(C(=O)NCc3c[nH]c4ccc(F)cc34)ccc2n1 2325822780 OUCCEYOZZOIXOJ-UHFFFAOYSA-N 333.366 4.094 0 50 EIAA CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2nccs2)CC1 108537 NQTGEEVPVHGAKJ-UHFFFAOYSA-N 338.473 4.010 0 50 EIAA O=Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 273352 KNFDAKBRGAXZJE-KRWDZBQOSA-N 345.398 4.047 0 50 EIAA O=S1(=O)C=C(Sc2cccc3cccnc23)c2ccccc21 315186 IPRRCJWVASXCFL-UHFFFAOYSA-N 325.414 4.113 0 50 EIAA Clc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1Cl 360602 DGVCVHLWHNKPGJ-UHFFFAOYSA-N 337.250 4.442 0 50 EIAA O=C(Nc1nncs1)[C@@H](Sc1ccccc1)c1ccccc1 432899 XZHYNIDBYPHYSS-AWEZNQCLSA-N 327.434 4.010 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)NCCc1cccc(Cl)c1 432942 NCMWYHLBSQQUEG-UHFFFAOYSA-N 340.810 4.276 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](C)C2 442385 FSXWSIRVIWAXFP-JTQLQIEISA-N 347.436 4.203 0 50 EIAA CCn1c(C)c(C(=O)Nc2ccc(OC)cc2)c2cc(OC)ccc21 477038 BOAJDGRKACVGDN-UHFFFAOYSA-N 338.407 4.239 0 50 EIAA CC(=O)Nc1cccc(C(=O)OCc2ccc(C(C)(C)C)cc2)c1 618165 KSJKEHZEYHOHTO-UHFFFAOYSA-N 325.408 4.300 0 50 EIAA Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccccc2C)c1C 2763983 AYCKNSHLSMRCGC-UHFFFAOYSA-N 333.435 4.417 0 50 EIAA O=C(Nc1ccccc1C(=O)OCc1cccc(F)c1)c1ccco1 3017557 IQQITWBOQYDENE-UHFFFAOYSA-N 339.322 4.028 0 50 EIAA Cc1cc2c(SCC(=O)Nc3cccc(C)c3C)ncnc2s1 4488370 JWURGGRIHBTSQL-UHFFFAOYSA-N 343.477 4.347 0 50 EIAA Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1 4843300 HRDVKHXJOXBLST-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA c1ccc(Cc2cn[nH]c2C2CCN(Cc3cccs3)CC2)cc1 12219293 WWGCABTUDHLTEG-UHFFFAOYSA-N 337.492 4.442 0 50 EIAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)cc1 18175844 VYZKLZFQJKQBLM-QGZVFWFLSA-N 332.350 4.342 0 50 EIAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1cccnc1 29299856 RFSLCWUTKCYBDI-AWEZNQCLSA-N 341.461 4.244 0 50 EIAA CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N 60119908 SCOOTUMXCXKEAD-UHFFFAOYSA-N 327.428 4.375 0 50 EIAA in-vitro CC(C)c1noc([C@@H](C)N[C@H](C)Cc2cccc(C(F)(F)F)c2)n1 65393889 LXCQIVKQRWYIIY-VXGBXAGGSA-N 341.377 4.494 0 50 EIAA Cc1ccsc1-c1nc(CN2CCC(C(C)(C)O)CC2)c(C)o1 67880489 HXEPEJQPDHDDBW-UHFFFAOYSA-N 334.485 4.003 0 50 EIAA CC[C@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn12)c1cccnc1 72411976 DNNFQECYRPMCME-KRWDZBQOSA-N 347.397 4.494 0 50 EIAA CC(C)c1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)n(C)n1 81823204 RNJICKAYQIHJSQ-UHFFFAOYSA-N 349.837 4.141 0 50 EIAA Cc1cc(C)c(NC(=O)N[C@@H](c2nccn2C)C(C)C)c(Cl)c1 97785108 WHMLXGXNPPHMSI-CQSZACIVSA-N 334.851 4.209 0 50 EIAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118914887 XNJOZXWLEFEFEX-DSWGTCOTSA-N 334.500 4.133 0 50 EIAA c1ccc(-c2nc(NCc3nnc(C4CC4)o3)c3ccccc3n2)cc1 170601961 XTKZHAXGAGCLPG-UHFFFAOYSA-N 343.390 4.169 0 50 EIAA CC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2c2nccs2)c1 176257012 OMHMHQYHOGLMJU-OAHLLOKOSA-N 329.425 4.105 0 50 EIAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1 229854952 QXINESDBWLTSFM-CDHQVMDDSA-N 347.414 4.489 0 50 EIAA CCCc1cnc(C)nc1-c1ccc(C(=O)N2CCCCCC2)cc1 426406330 RPQJDJHMXCHANN-UHFFFAOYSA-N 337.467 4.421 0 50 EIAA O=C(c1[nH]c2ccccc2c1Cl)N1CC=C(c2ccc(F)cc2)C1 1875258186 ZMZNVHAGXKVAHS-UHFFFAOYSA-N 340.785 4.500 0 50 EIAA FC(F)(F)Oc1ccc(-c2cccn3nc(C(F)(F)F)nc23)cc1 1875318464 RANKVTBIXGLEGB-UHFFFAOYSA-N 347.218 4.314 0 50 EIAA CC(C)n1nc(-c2ccccc2Cl)nc1[C@@H]1CC[C@@H]2CCC(=O)N12 2325849628 VRXXJNJJWQVGRO-DOMZBBRYSA-N 344.846 4.005 0 50 EIAA C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cc[nH]c3nccc2-3)cc1 2325862550 YNQZVEMDJQATJI-OAHLLOKOSA-N 348.450 4.141 0 50 EIAA CCOC(=O)Nc1cc(C2CC2)nc2ccc(Br)cc12 210070 BFIMIKVZCPXAGC-UHFFFAOYSA-N 335.201 4.443 0 50 EIAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cn1 275332 PAGUMUWAGUETRW-UHFFFAOYSA-N 326.581 4.142 0 50 EIAA COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1 451844 BDGLBRQFDFCYOV-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccccc1 454300 BGUZSKGWVNIBKS-LBPRGKRZSA-N 338.234 4.419 0 50 EIAA Cc1cccnc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 455897 BHXHEYFKDAXFFR-UHFFFAOYSA-N 347.443 4.184 0 50 EIAA O=c1ccc2ccc(OCc3ccc(Br)cc3F)cc2o1 464051 SJGJEZKRKYWJAN-UHFFFAOYSA-N 349.155 4.274 0 50 EIAA biogenic CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 471035 CYBWQZLBDLDTMO-LLVKDONJSA-N 348.855 4.418 0 50 EIAA Cc1ccccc1NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 2794712 ANEONEBHEZRYDD-UHFFFAOYSA-N 346.365 4.096 0 50 EIAA C[C@H]1C[C@@H](C)CN(CCOCCOc2c(Cl)cccc2Cl)C1 2822563 QJSHTIFNZQUCQL-OKILXGFUSA-N 346.298 4.367 0 50 EIAA Cc1cc(Br)ccc1OCC(=O)Oc1cccc(C)c1C 4820273 LYZRSYFMCGVUAR-UHFFFAOYSA-N 349.224 4.359 0 50 EIAA Cc1ccc(O[C@@H](C)c2nc(-c3ccc4c(c3)OCO4)no2)cc1C 6703732 GAQQVTCZYRSGGO-ZDUSSCGKSA-N 338.363 4.222 0 50 EIAA Cc1ccccc1C(=O)N(Cc1nc(-c2ccccc2)no1)C(C)(C)C 7720104 YDSKJMRJJRGKNA-UHFFFAOYSA-N 349.434 4.486 0 50 EIAA COc1cccc(C(=O)O)c1OCc1ccc(Cl)c(Cl)c1 11827785 XKTJZJHAWHKPSC-UHFFFAOYSA-N 327.163 4.279 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCc1ccon1 15063836 KPWFISKQHPBXON-QGZVFWFLSA-N 340.810 4.166 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1ccc(Br)cc1 17066934 WAROPAWZKNHESM-GHMZBOCLSA-N 327.291 4.409 0 50 EIAA CCCC[C@H]1C(=O)CC[C@H]2[C@@H]1CC(=O)[C@@H]2CCCCCCC(=O)O 64857871 SMKXBJMWSIFUAU-VQHPVUNQSA-N 336.472 4.402 0 50 EIAA in-vitro Cc1cccc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)n1 71771157 HHCDGDYZBBZMGA-HNNXBMFYSA-N 344.405 4.153 0 50 EIAA COc1ccc2nc(CN3CCC[C@H](c4nccs4)C3)sc2c1 186910139 DGBASDKAAHXSII-LBPRGKRZSA-N 345.493 4.141 0 50 EIAA C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1scnc1-c1ccccc1 252523250 CEKQRIMBSBQBJH-SJKOYZFVSA-N 336.416 4.313 0 50 EIAA C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)O)cc1 263581907 XUHWDNIXGOQNIN-UGSOOPFHSA-N 345.826 4.000 0 50 EIAA COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2ccncc2)cc1 426443121 YESPIFHWGZULIA-HXUWFJFHSA-N 338.451 4.170 0 50 EIAA CC(C)(C)C[C@H](NC1CCN(Cc2ccco2)CC1)c1cccnc1 534585417 GQUZRGKGNMDMLV-FQEVSTJZSA-N 341.499 4.406 0 50 EIAA O=C(O)[C@@H]1CCN(C(=O)c2cc3ccccc3s2)[C@@H]2CCCC[C@@H]12 659191078 WNZDXYXSPLWCCO-RRFJBIMHSA-N 343.448 4.007 0 50 EIAA CC[C@@H](C)C(=O)Nc1ccccc1NC(=O)c1c(F)cccc1OC 822560060 RCLWHGYXPQXWRA-GFCCVEGCSA-N 344.386 4.071 0 50 EIAA O=C(c1ccncc1Cl)N1CCCC[C@@H]1CCc1cccc(O)c1 1506420097 UHMZYKZSRVVGQZ-OAHLLOKOSA-N 344.842 4.068 0 50 EIAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3cc4ccccc4o3)C1)CC2 1704325656 OQOJMVJTESOFSA-OAQYLSRUSA-N 333.435 4.011 0 50 EIAA CCOP(=O)(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)OCC 1776004567 USUDRIVEPCFALO-LBPRGKRZSA-N 347.779 4.126 0 50 EIAA Cc1cc2c(cn1)CN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 1857691477 MUOIGYDWPYCXFE-UHFFFAOYSA-N 326.827 4.008 0 50 EIAA O=C(CCCc1ccncc1)O[C@@H]1CCC[C@@H]1Oc1cccc(F)c1 2325855133 JIZOJGJDDZHJML-RBUKOAKNSA-N 343.398 4.087 0 50 EIAA Cc1ccc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cc1 2356144821 NKMIGFUBFLPKBN-HSZRJFAPSA-N 348.490 4.152 0 50 EIAA COc1ccc(-c2ccc(CN3CCC[C@H](OC)C3)c(C)c2)cc1F 2356149531 GJOBAUKLLSKQTG-IBGZPJMESA-N 343.442 4.421 0 50 EIAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 72383 JNCSQROSIMRUQO-ROUUACIJSA-N 339.391 4.308 0 50 EIAA COc1cc(NC(=O)NC2(c3ccccc3)CC2)c(OC)cc1Cl 92185 CQRGYJOSOFSFOU-UHFFFAOYSA-N 346.814 4.168 0 50 EIAA CC(C)N(C(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1)C(C)C 301482 PQFAOBVPGPLSLH-UHFFFAOYSA-N 332.488 4.205 0 50 EIAA COc1cc(OC)cc(-c2nnc(SCc3ccc(F)cc3)o2)c1 415406 VQSJDDXGNVCXLM-UHFFFAOYSA-N 346.383 4.185 0 50 EIAA COC(=O)c1sc2ncccc2c1OCc1ccc(Cl)cc1 1388001 QRODVXNPOFBKHF-UHFFFAOYSA-N 333.796 4.315 0 50 EIAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCCCC1 2778795 VEEIRNXZKYMZKF-UHFFFAOYSA-N 343.393 4.008 0 50 EIAA CSc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)cc1 12073297 OYHPHFZZSGTCNT-KRWDZBQOSA-N 344.455 4.264 0 50 EIAA CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 12404366 BABYMSNJEAENMS-ZDUSSCGKSA-N 326.396 4.075 0 50 EIAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(CC)no2)cc1 64984988 IGBNVZNXHIFSKX-MRXNPFEDSA-N 329.400 4.005 0 50 EIAA CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3C2CCCCC2)o1 65380617 BGKZQPNTNZOSPJ-HNNXBMFYSA-N 327.428 4.326 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)Cc1coc2ccccc2c1=O 65435085 BNCQQFVMRNHSLP-UHFFFAOYSA-N 346.386 4.080 0 50 EIAA CCn1ccc2cc(CN(C)Cc3cc(-c4ccncc4)no3)ccc21 72151761 GXJJDTGDUWXRTE-UHFFFAOYSA-N 346.434 4.343 0 50 EIAA COc1ccc(OC2CCN(c3ccc4ccccc4n3)CC2)cc1 77353402 ZQWWXCQBOKFLAT-UHFFFAOYSA-N 334.419 4.291 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N(C)CC[C@H](C)N3CCCC3)[nH]c12 91695443 HOCXGCVZFARXDG-INIZCTEOSA-N 341.499 4.040 0 50 EIAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1 101319031 QKHOLMCAIKHCFU-OALUTQOASA-N 335.403 4.467 0 50 EIAA O=C(C[C@@H]1CCc2ccccc21)NC[C@H](O)c1ccc2ccccc2c1 115712830 YZCPHMAEIFYTLF-UGKGYDQZSA-N 345.442 4.110 0 50 EIAA Cc1noc(C)c1CN(C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C 127403760 WSBPIGTWKXMVTE-GOSISDBHSA-N 341.455 4.147 0 50 EIAA CC(=O)c1cc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)c(C)nc1C 362425126 YHDGRSOAGQFLLG-LJQANCHMSA-N 336.435 4.053 0 50 EIAA Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@H]3C3CC3)cc2F)n1 368983445 IUGWLBCQMXYATA-KRWDZBQOSA-N 342.418 4.035 0 50 EIAA COc1ccc(-c2ccc(NC(=O)c3cscn3)nc2)cc1Cl 373497740 MKXMNKMTFIGSBS-UHFFFAOYSA-N 345.811 4.119 0 50 EIAA CC[C@@H](C(=O)NCC1(c2ccccc2F)CCCC1)n1cccc1 426535185 PAQWGOGJHOYCEU-SFHVURJKSA-N 328.431 4.207 0 50 EIAA CC1(C)CCN(C(=O)Nc2cnn(C(F)F)c2)C[C@@H]1c1ccccc1 930662765 BAMRAQYWBYUYGS-OAHLLOKOSA-N 348.397 4.326 0 50 EIAA CCc1nc(OC)ccc1NC(=O)N1CCC[C@H]1c1cccs1 933944678 VMGUGSMQEQDDPN-AWEZNQCLSA-N 331.441 4.083 0 50 EIAA C[C@H](NC(=O)Nc1ccc(Nc2ccccc2)cn1)c1ccccn1 1476893747 SLDQGTCXPPQRJM-AWEZNQCLSA-N 333.395 4.103 0 50 EIAA CCC[C@H](C)c1nc(-c2cc3ccc(F)cc3[nH]2)n([C@H]2CCOC2)n1 1875349136 NVRDGVOSXHJADT-WFASDCNBSA-N 342.418 4.431 0 50 EIAA O=c1ccc(-c2ccc(F)cc2)nn1C[C@@H]1CCC[C@H]1C(F)(F)F 2325772445 VJQWMXOEJFWENS-GXTWGEPZSA-N 340.320 4.028 0 50 EIAA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 73466 ZQCNWOHZKDJRNV-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc(C)c1C 98199 LACLMKSVEFRBBV-UHFFFAOYSA-N 331.437 4.411 0 50 EIAA C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Br)cc1 470940 XDXOOKATNDGUSI-SMDDNHRTSA-N 342.302 4.236 0 50 EIAA COc1ccc([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)cc1OC 519881 VPRHXMASMQZGOF-CABCVRRESA-N 327.424 4.075 0 50 EIAA CC(C)(C)NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 561032 VHTYKLBDOHPXRT-UHFFFAOYSA-N 340.467 4.319 0 50 EIAA COc1ccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c(OC)c1 2854081 AXJXSLPOQKYZRV-CQSZACIVSA-N 344.480 4.368 0 50 EIAA Clc1ccccc1-c1nnn(Cc2c(Cl)cccc2Cl)n1 4602761 GKHRDLVYTGEJTO-UHFFFAOYSA-N 339.613 4.349 0 50 EIAA CSc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 10331902 DSNVYQHLNSDQMC-UHFFFAOYSA-N 326.465 4.257 0 50 EIAA Cc1ccc(NC2(C(=O)N(C)CCC[C@H]3CCCO3)CCCC2)cc1 65406368 SSUWGHUCBPEIQY-IBGZPJMESA-N 344.499 4.137 0 50 EIAA Fc1cc(Oc2ccc(Cl)nn2)cc(Cl)c1CN1CCCC1 67741444 NPSMFXBUDLOHLK-UHFFFAOYSA-N 342.201 4.311 0 50 EIAA c1cnc2c([C@@H]3c4nc[nH]c4CCN3CC3CCCC3)cccc2c1 67935477 RWKKWATYYYVNHO-OAQYLSRUSA-N 332.451 4.096 0 50 EIAA Cc1[nH]c2ccc(CNc3ccc(C(=O)N4CCCC4)cn3)cc2c1C 71759997 IHDYPXHDBJBSIM-UHFFFAOYSA-N 348.450 4.028 0 50 EIAA O=C1CC[C@]2(CCCO2)CCN1Cc1cccc(-c2ccccc2)c1 72152831 SKMULIPPDKPUJC-JOCHJYFZSA-N 335.447 4.415 0 50 EIAA CC[C@@H](CC(=O)Nc1nc(-c2nccn2C)cs1)c1ccccc1 119112037 DAUVKVQVKSBNPL-ZDUSSCGKSA-N 340.452 4.066 0 50 EIAA O=C(O)C1CCC(C(=O)NC2(c3cccc(Cl)c3)CCCC2)CC1 194442820 OLBRCIUOINDUGT-UHFFFAOYSA-N 349.858 4.117 0 50 EIAA CCC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 408520279 ZSJLUKSLFBOANG-UHFFFAOYSA-N 332.444 4.150 0 50 EIAA O=C(Cc1cc2ccccc2o1)N[C@H]1CCCOc2cc(F)ccc21 679069544 CKURJJHDXJEZRL-KRWDZBQOSA-N 339.366 4.145 0 50 EIAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(F)cc3Cl)C1)CC2 1704303755 BCGOIEOAJHEJKV-LJQANCHMSA-N 345.849 4.058 0 50 EIAA COc1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)c(CO)c1 1875335169 UZXZZOFFJLTBMG-UHFFFAOYSA-N 334.371 4.220 0 50 EIAA Cc1cc(OCC(=O)Nc2cccc(C)c2C)ccc1Br 117375 VRUSSLGLHIFNDF-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CCOc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 217848 MLZXIPOJVOTTGL-UHFFFAOYSA-N 332.403 4.193 0 50 EIAA COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 442336 JYXVFSFNRFVQGM-ZDUSSCGKSA-N 333.815 4.371 0 50 EIAA CCCc1ccc(OCCNC(=O)c2ccc(C)c(Cl)c2)cc1 2839868 BWOBLLOAZSWPJY-UHFFFAOYSA-N 331.843 4.410 0 50 EIAA COc1ccc(Cl)cc1S(=O)(=O)Oc1cccc2ccccc12 2982387 URSICUZTPNHAFS-UHFFFAOYSA-N 348.807 4.270 0 50 EIAA COc1ccc(/C=C/C(=O)NCCSCc2cccc(C)c2)cc1 2993049 HRAOORXELDIPBX-DHZHZOJOSA-N 341.476 4.066 0 50 EIAA O=C(CCCOc1ccccc1)Nc1ccc(Br)cc1 2993097 QRVBBPAZMYFBLZ-UHFFFAOYSA-N 334.213 4.247 0 50 EIAA Cc1sc(-c2cccnc2)nc1OC(=O)c1ccc(Cl)cc1 3116631 ZZTFAFRFVQKYIU-UHFFFAOYSA-N 330.796 4.386 0 50 EIAA CCCOc1cccc(C(=O)Nc2c(C)ccc3nsnc23)c1 4093691 RJLBKFDUHRHVHR-UHFFFAOYSA-N 327.409 4.041 0 50 EIAA C[P@@](=O)(O)O[C@H](c1ccccc1)C(Cl)(Cl)C(F)(F)F 4951985 WNWCGGALCJSDCW-MRVPVSSYSA-N 337.061 4.296 0 50 EIAA COC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc(C)c1C 7637096 DXNKYHKUYQQWED-UHFFFAOYSA-N 338.429 4.100 0 50 EIAA Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1C 7849568 KDIYCNHLMXJJPX-UHFFFAOYSA-N 346.833 4.058 0 50 EIAA CCCO[C@@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 12314173 FZPBVSXEPZUBTG-LJQANCHMSA-N 348.450 4.087 0 50 EIAA C[C@H]1CN(CCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 13153573 QGNHCJSZAPKCOJ-HDICACEKSA-N 325.452 4.232 0 50 EIAA Cc1ccc2c(C)c(C(=O)NCc3ccc4c(c3)OCO4)oc2c1C 15066898 PIJVHVRURDIFLF-UHFFFAOYSA-N 337.375 4.017 0 50 EIAA C[C@@H](CNC(=O)Nc1cccc2ccccc12)Cn1cc(Cl)cn1 20606817 YPPXFBJUXDXILF-ZDUSSCGKSA-N 342.830 4.148 0 50 EIAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1c(F)cccc1F 22237505 AJFSRSKXNRCWNP-UHFFFAOYSA-N 331.347 4.044 0 50 EIAA Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(C(F)F)n1 35836983 XQJQCBDIXRIYRP-STQMWFEESA-N 331.366 4.124 0 50 EIAA in-vivo C/C=C/CC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 67755193 CGQRUDAMGKBFRZ-NSCUHMNNSA-N 343.858 4.402 0 50 EIAA CCc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)ccn1 71479632 UPXZFGYBGIMECD-QGZVFWFLSA-N 340.442 4.268 0 50 EIAA Oc1cccc(CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1 72454699 YCQZRAWEEAQPMJ-FDFHNCONSA-N 337.463 4.045 0 50 EIAA O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@H]2CCC[C@H]2C1 126069715 QANXSWWAONEGPI-OKILXGFUSA-N 326.362 4.445 0 50 EIAA COc1cc(F)cc(NCc2nnc(-c3ccc(Cl)cc3)o2)c1 134172321 KPSPMHBARNOFTE-UHFFFAOYSA-N 333.750 4.150 0 50 EIAA CN(C)C(=O)c1cccc(CN[C@@H](c2cccc(F)c2)C(C)(C)C)c1 181073202 OJXQQAQDBJMJDM-IBGZPJMESA-N 342.458 4.405 0 50 EIAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N3CCC3=O)cc2)c1 253426517 HHUCYDCDTDTMMF-IBGZPJMESA-N 349.434 4.101 0 50 EIAA Cc1c[nH]nc1CN[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 289400485 AFIYFNAYKNJSFQ-CQSZACIVSA-N 342.443 4.148 0 50 EIAA C[C@@H](C(=O)N1CCC2(CCC(O)CC2)CC1)c1ccc(Cl)s1 295634864 SUDAPUNDVSSACV-GFCCVEGCSA-N 341.904 4.049 0 50 EIAA O=C(Nc1ccc(-c2nc([C@@H]3CCOC3)cs2)cc1)c1ccco1 357729952 JWARYTGQXHZUKP-CYBMUJFWSA-N 340.404 4.159 0 50 EIAA COCc1nc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)cs1 446432702 YGXRQMMZMPKVNX-KRWDZBQOSA-N 348.443 4.090 0 50 EIAA CC1(C)CC[C@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)O1 492175686 LUTYAXXMXVAFJV-VQTJNVASSA-N 335.447 4.118 0 50 EIAA CC(C)(C)OC(=O)Nc1cccc(C2CCN(C(=O)C3CC3)CC2)c1 496366817 YLTNVKAEORKOJD-UHFFFAOYSA-N 344.455 4.150 0 50 EIAA Cc1c(Cl)cccc1CNc1cc(C(=O)N2CCCCC2)ccn1 1529179147 VUWLEFDFMGGPOD-UHFFFAOYSA-N 343.858 4.282 0 50 EIAA O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)N1CCC2(CCCO2)CC1 1565525938 HOSIVQJHTOYOAF-MOPGFXCFSA-N 342.483 4.067 0 50 EIAA C[C@H](Nc1cc(C(=O)N2CCCCC2)ccn1)c1ccc(F)cc1F 1704348254 DWLNPUJHASVEEC-ZDUSSCGKSA-N 345.393 4.159 0 50 EIAA COc1cc2c(c(C(=O)OCC[C@@H]3C[C@@H](C)C[C@@H](C)C3)c1)OCC2 1875357293 ADGPKTATDBHCII-FICVDOATSA-N 332.440 4.249 0 50 EIAA CCCCc1ccc(NC(=O)N2CCC[C@H](n3cccn3)C2)cc1 2325703861 ABTMAMQLCLNWOX-SFHVURJKSA-N 326.444 4.095 0 50 EIAA OC1([C@H]2CCCN(Cc3cccc(OCc4ccccc4)c3)C2)CC1 2325824898 UXWNSPYRMXVZKR-FQEVSTJZSA-N 337.463 4.003 0 50 EIAA COc1c(-c2cc(-c3ccccc3)[nH]n2)c(O)c(OC)c2occc12 378270 XGFSTQXUQPBDCE-UHFFFAOYSA-N 336.347 4.213 0 50 EIAA O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 380052 ZDUDOPYECGFONE-UHFFFAOYSA-N 342.700 4.399 0 50 EIAA COc1ccc(OC)c([C@H](C)NC(=O)C[C@H](C)c2ccccc2)c1 451388 JJNQPZGCWQVOCK-GJZGRUSLSA-N 327.424 4.075 0 50 EIAA COc1ccc(C(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)cc1 453369 YTLJHKXSFWBNEN-LJQANCHMSA-N 336.343 4.069 0 50 EIAA Cc1ccc(C)c(NC(=O)CCC(=O)OCc2ccc(Cl)cc2)c1 460869 NUQROJKKYGZHSY-UHFFFAOYSA-N 345.826 4.419 0 50 EIAA O=C(Cc1ccccc1)OCc1ccc(C(=O)Oc2ccccc2)cc1 618245 ZBNIPECCBRXJNS-UHFFFAOYSA-N 346.382 4.192 0 50 EIAA O=C1NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 1083170 XKNSKYLKHDXQLT-KPKJPENVSA-N 339.294 4.289 0 50 EIAA COc1ccccc1NC(=O)c1c(N)sc2c1CCCCCC2 2558521 RBRSZUDSZOWMNS-UHFFFAOYSA-N 330.453 4.250 0 50 EIAA CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 4098363 YHWNASRGLKJRJJ-KRWDZBQOSA-N 340.375 4.019 0 50 EIAA endogenous,in-man CCCCc1[nH]c(SCC(=O)N[C@H](C)c2ccccc2)nc1C 4632233 HGXSOOMXYKFNDL-CYBMUJFWSA-N 331.485 4.030 0 50 EIAA O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12 5682982 OTJSLBRSNLJVPH-UHFFFAOYSA-N 344.458 4.234 0 50 EIAA CCc1cc2c(=O)c(Oc3ccc(OC)cc3)c(C)oc2cc1O 6273931 WMERLBWVWAWUGO-UHFFFAOYSA-N 326.348 4.170 0 50 EIAA CCOc1ccc(NC(=O)c2ccc(OC(C)C)c(OC)c2)cc1 6702677 LLJKNKAULFZPNS-UHFFFAOYSA-N 329.396 4.133 0 50 EIAA O=C(Nc1ccccc1OCCCc1ccccc1)c1cccnc1 12137953 XBTMLYHHSHGZED-UHFFFAOYSA-N 332.403 4.346 0 50 EIAA Cc1cc(CN[C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)[nH]n1 12300385 KMZBDQWWQNVTGF-HNNXBMFYSA-N 345.450 4.216 0 50 EIAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cccc(C)n3)C2)cc1 12441372 HCAGJSDZCSBDSS-QGZVFWFLSA-N 340.492 4.207 0 50 EIAA Clc1ccccc1COc1cccc(CNCC2CCNCC2)c1 16578672 NAEKNNOQBSANNQ-UHFFFAOYSA-N 344.886 4.008 0 50 EIAA Cc1cccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1 17970829 IBMKBWWKJRYSHK-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA CSc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)cc1 55292123 DHGQQCDEABDCNU-UHFFFAOYSA-N 326.509 4.348 0 50 EIAA COc1ccccc1-c1nccn1[C@@H](Cn1ccnc1)c1ccccc1 71479694 BOVDETTWMULPNB-IBGZPJMESA-N 344.418 4.045 0 50 EIAA C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc(O)c1 112458043 ZSHISBYKWKHFDU-HNAYVOBHSA-N 339.439 4.175 0 50 EIAA O=C(Nc1cccnc1Cl)c1ccnc(SCC(F)(F)F)c1 112627966 RYUFKDIAVGYNQI-UHFFFAOYSA-N 347.749 4.037 0 50 EIAA CC(C)Oc1cncc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 120907053 PVOUDKSHYQLZNX-CQSZACIVSA-N 338.407 4.448 0 50 EIAA CC(C)c1nc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)no1 133761007 LYVZCEFDZIEUEW-QGZVFWFLSA-N 342.830 4.121 0 50 EIAA Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1cnc(C2CCCCC2)nc1 215913761 BOFWUBLIJVBPHK-OAHLLOKOSA-N 327.476 4.057 0 50 EIAA CCN(C(=O)c1cc2ccccc2c(=O)o1)c1ccccc1Cl 253395716 QBTRSESFXSQVBY-UHFFFAOYSA-N 327.767 4.113 0 50 EIAA CC(C)n1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)n1 674043102 KTDLTLWVDHLUJR-UHFFFAOYSA-N 337.427 4.171 0 50 EIAA COC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)s1 824197931 CRTWHZUAHSZKOJ-GFCCVEGCSA-N 348.424 4.277 0 50 EIAA CCc1onc(C)c1NC(=O)N[C@@H](C)c1cc(Cl)cc2c1OCC2 930574755 ZQDZUSJJWUDOML-VIFPVBQESA-N 349.818 4.016 0 50 EIAA CCn1c(C)cc2cc(NC(=O)CC[C@@H]3CCCCN3C)ccc21 952872520 QNULNJDLSOYXOP-SFHVURJKSA-N 327.472 4.173 0 50 EIAA O=C(Nc1ccc2n[nH]cc2c1)NC1(c2ccc(Cl)cc2)CCC1 1776002339 IINAPMUUXBJLIC-UHFFFAOYSA-N 340.814 4.417 0 50 EIAA Cc1cc2c(cn1)CN(C(=O)c1cccc(Oc3ccccc3)c1)C2 1857677821 NUQKHSOZRLCQBD-UHFFFAOYSA-N 330.387 4.338 0 50 EIAA Cc1ccc(-c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)c(F)c1 1875259575 XAOSDNAIGHVMQU-JTQLQIEISA-N 333.750 4.373 0 50 EIAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1 36250 RABKJTLEBBLLFD-UHFFFAOYSA-N 347.370 4.138 0 50 EIAA C[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 87297 IVSIHDBMSUYSAH-SNVBAGLBSA-N 328.462 4.235 0 50 EIAA in-vitro O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccc(F)cc1 612789 BJGJSZUHCLKKLP-HXUWFJFHSA-N 332.378 4.305 0 50 EIAA FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2ccnn12 2747907 ZRWNIQWGJUAZAP-UHFFFAOYSA-N 342.118 4.178 0 50 EIAA CC[C@H](C)c1ccccc1OCCCn1cnc2ccccc2c1=O 3000349 NEZMXCYLOWDBEY-INIZCTEOSA-N 336.435 4.379 0 50 EIAA CC(C)NC(=O)CCc1ccc(-c2ccc(Br)cc2)o1 4542721 POOBKONWCXRICY-UHFFFAOYSA-N 336.229 4.166 0 50 EIAA CCOc1cc2c(cc1OCC)[C@H](c1ccccc1C)CC(=O)N2 7342048 PUPUXRNDOTWCNS-HNNXBMFYSA-N 325.408 4.267 0 50 EIAA OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccc2F)C1 12714078 CDUBNQKRKHMBBP-HXUWFJFHSA-N 347.861 4.296 0 50 EIAA CC(=O)Nc1cccc(NC(=O)Nc2ccccc2Br)c1 13745380 RBCVGQBIQSZKTO-UHFFFAOYSA-N 348.200 4.052 0 50 EIAA CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1 14258100 YGFCOCXWYDWUQO-UHFFFAOYSA-N 346.390 4.137 0 50 EIAA CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1c(C)cc(C)cc1C 14396517 WAFWXAODKWRFTR-SFHVURJKSA-N 327.424 4.417 0 50 EIAA Clc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 19841194 BLENDBNMHUFZHP-UHFFFAOYSA-N 335.278 4.311 0 50 EIAA O=C(c1ccccc1-c1ccccc1)N1CCC(c2ncc[nH]2)CC1 72433714 ZAEMNUMBMBSTMH-UHFFFAOYSA-N 331.419 4.097 0 50 EIAA C[C@H](c1ccc(C(=O)NCc2cccc(Cl)c2)o1)N1CCCCC1 97772763 QYAARRFMQBTAAP-CQSZACIVSA-N 346.858 4.410 0 50 EIAA Cc1c(CSC(C)C)cccc1NC(=O)NC[C@@H]1CCCOC1 173878931 GJYLXYRNHVPQIU-HNNXBMFYSA-N 336.501 4.185 0 50 EIAA CC(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)ccc1C 194242707 UYJOIEXBHDPWNZ-FZKQIMNGSA-N 325.408 4.404 0 50 EIAA CC(C)C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)n1cccc1 263588520 VGGQUEZWKJOJRR-LJQANCHMSA-N 341.430 4.055 0 50 EIAA C[C@H]1CC(c2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)C[C@H](C)C1 329566296 HLJMFMJJCJBRSD-UTJXIGIESA-N 327.428 4.250 0 50 EIAA COc1ccc(-c2cccc(OCCn3ccnc3)c2)c2cccnc12 426401524 BFRFAHTZIMOAHW-UHFFFAOYSA-N 345.402 4.186 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N3CC(N4CCCCC4)C3)cc2)s1 426503033 BRKRHQFQCAPPAJ-UHFFFAOYSA-N 340.492 4.034 0 50 EIAA O=C(c1ccc(O)cc1F)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 436871076 PEFAYXMMAKTTRT-LJQANCHMSA-N 338.382 4.380 0 50 EIAA O=C(Nc1nc2ccc(F)cc2[nH]1)C1(c2cccc(Cl)c2)CC1 488892804 QPQUJNOKORRVHR-UHFFFAOYSA-N 329.762 4.026 0 50 EIAA CCC[C@@H]1CCCN1C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 534584160 MZMOHYDAMGRIFS-MRXNPFEDSA-N 343.858 4.389 0 50 EIAA Cc1cc(NC(=O)N[C@H]2CCCOc3ccccc32)cnc1C(F)F 934610286 RVSUBUXMIIGMMQ-AWEZNQCLSA-N 347.365 4.363 0 50 EIAA Cc1onc(C2CCCCC2)c1C(=O)N1CCSc2ccncc21 1875272412 KSFFVHPGCJDVQM-UHFFFAOYSA-N 343.452 4.178 0 50 EIAA CCN(CC)CC[C@H](C)NC(=O)C12CCC(C(F)(F)F)(CC1)CC2 2325736519 MYHRYXOBVJFVEO-OOHWJJMZSA-N 348.453 4.126 0 50 EIAA CC(C)Cc1noc(CN2CCC[C@@]2(C)Cc2cc(F)ccc2F)n1 2325828033 XAITZVLLZJGFIF-IBGZPJMESA-N 349.425 4.144 0 50 EIAA Cc1cnc(Nc2ccnc3c(C(F)(F)F)cccc23)nc1N(C)C 2356153105 RRVJNFIBKRDHCZ-UHFFFAOYSA-N 347.344 4.162 0 50 EIAA COc1ccc(C2(CNCc3ccccc3)CCCC2)cc1OC 295387 XJDBGVIEIMGMCR-UHFFFAOYSA-N 325.452 4.305 0 50 EIAA COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 300785 QOFYEXZKCKPTFF-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA COc1ccccc1OCc1ccc(C(=O)NC2CCCCCC2)o1 468638 QFZZIDSFNDMMML-UHFFFAOYSA-N 343.423 4.320 0 50 EIAA COc1ccc(CNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 1060341 GGHIGGZFXRRWOW-MRXNPFEDSA-N 325.452 4.314 0 50 EIAA O=C(NCCCCc1ccccc1)c1ccc(Br)cc1 2493600 ANSALYLOORYKNC-UHFFFAOYSA-N 332.241 4.202 0 50 EIAA CCc1cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cs1 2807744 LXJBHPOQGWBSFA-UHFFFAOYSA-N 325.817 4.233 0 50 EIAA COc1cc(CNCc2ccccn2)ccc1OCc1ccc(C)cc1 4413637 BRJYMRLUYAFOOL-UHFFFAOYSA-N 348.446 4.267 0 50 EIAA OCC1(CCCc2ccccc2)CCN(Cc2ccc(F)cc2)CC1 12753561 ZJLGWYOOHDEBHA-UHFFFAOYSA-N 341.470 4.423 0 50 EIAA COc1ccc(-n2ncc([C@@H](C)NCc3ccc(C)s3)c2C)cc1 14976823 VKPNQDBANHPQAA-CQSZACIVSA-N 341.480 4.410 0 50 EIAA CC[C@@H](C)N(Cc1ccncc1)Cc1c(C)nc2ccc(Cl)cn12 55099256 JVAQTNGDMFPCRK-CQSZACIVSA-N 342.874 4.492 0 50 EIAA CCSc1ncc(CN(Cc2ccsc2)Cc2ccco2)cn1 55108823 YGCKXOCAGKWWEQ-UHFFFAOYSA-N 345.493 4.446 0 50 EIAA CCCCOc1c(CNCc2ccc(Cl)nc2)cccc1OC 55360883 CTMIVJUYSINOKD-UHFFFAOYSA-N 334.847 4.212 0 50 EIAA CNC(=O)N(C)C(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C 71770110 BTIMQHBTUQQPGY-UHFFFAOYSA-N 334.460 4.360 0 50 EIAA CSc1ccccc1C(=O)N(C)C[C@H]1CCN(c2ccccc2)C1 85534027 HKNDVCYLHFZOAF-MRXNPFEDSA-N 340.492 4.007 0 50 EIAA O=C(c1sc2cccc(F)c2c1Cl)N1CC(c2cccnc2)C1 91736663 INOHLTYKWDTNSN-UHFFFAOYSA-N 346.814 4.328 0 50 EIAA O=C(Nc1cccc(NC(=O)N2CCC3(CCC3)C2)c1)c1ccccc1 152324505 PDCXQHYMWYFZMZ-UHFFFAOYSA-N 349.434 4.347 0 50 EIAA CC(=O)Nc1cccc(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)c1 170596170 JYHAIRBHCOCLJF-VLIAUNLRSA-N 336.435 4.089 0 50 EIAA CCc1nnc(-c2cccc(NC(=O)c3ccc(Cl)s3)c2)o1 175366573 RBTFTGVSBKMJKK-UHFFFAOYSA-N 333.800 4.266 0 50 EIAA Cc1cc(C)c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)o1 176319815 ZASNCYOLXRDICE-UHFFFAOYSA-N 340.404 4.463 0 50 EIAA Cc1n[nH]c(C)c1NC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 194801131 POWJUYOLIFIHMY-UHFFFAOYSA-N 347.378 4.479 0 50 EIAA Clc1ccc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)o1 215230147 SMAXIFHVVGMYKX-UHFFFAOYSA-N 334.891 4.019 0 50 EIAA Cc1ccnc([C@@H](NC(=O)c2ccc3nc(C)sc3c2)C2CC2)c1 215417222 NFUXLGVAKFONPW-SFHVURJKSA-N 337.448 4.189 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257346362 YSBQFDHILMUWPK-YDLIDXDJSA-N 332.484 4.387 0 50 EIAA Cc1c(CN[C@@H](c2nnc[nH]2)C2CCCCC2)oc2ccc(F)cc12 292182892 OPXGWVGQJUBOOP-GOSISDBHSA-N 342.418 4.410 0 50 EIAA O=C(Nc1scnc1-c1ccccc1)c1ccc(C(F)(F)F)nc1 341694166 HVCHZPCCLHDFKZ-UHFFFAOYSA-N 349.337 4.476 0 50 EIAA C[C@H](C(=O)NCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 534878790 AJGQOQSLVOTFPI-KRWDZBQOSA-N 343.426 4.338 0 50 EIAA CC1(C)C[C@H](c2ccccc2)CN1Cc1ccc(F)cc1C(=O)O 903935345 XDGZILCYYLLXFJ-INIZCTEOSA-N 327.399 4.292 0 50 EIAA C[C@@H](NCc1cc(C2CC2)ccc1F)c1cccc(-n2cnnc2)c1 926502701 RAXDRTUUEIGBQN-CQSZACIVSA-N 336.414 4.135 0 50 EIAA COc1ccc(F)c(CN[C@H](C)c2ccccc2-n2cccn2)c1F 952978344 XNBUVLZZPWZLBH-CYBMUJFWSA-N 343.377 4.010 0 50 EIAA O=c1cc(-c2ccccc2)cnn1Cc1csc(C(F)(F)F)c1 2325821376 JWYAZQFLIHSBJO-UHFFFAOYSA-N 336.338 4.039 0 50 EIAA CCn1/c(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)[nH]c2ccccc21 355677 MNCGGHHFCOUMTH-UHFFFAOYSA-N 349.221 4.429 0 50 EIAA Cc1cc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)no1 425720 GWLIXBDLTXGSGK-UHFFFAOYSA-N 338.150 4.197 0 50 EIAA CCCCOc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 1777880 VDKWHUGMSUTWGY-UHFFFAOYSA-N 329.396 4.135 0 50 EIAA O=C(c1cn(CCOc2ccccc2)c2ccccc12)C(F)(F)F 2488065 HBYBHESWVCHWFV-UHFFFAOYSA-N 333.309 4.465 0 50 EIAA C[C@H]1C[C@@H](C)CN(CC(=O)N2c3ccccc3CCc3ccccc32)C1 4776937 UXMJITOZBAWGQO-HDICACEKSA-N 348.490 4.428 0 50 EIAA CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 22032760 XRYLGRGAWQSVQW-QGZVFWFLSA-N 344.911 4.336 0 50 EIAA in-man CCOC(=O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12 66322697 VJSXOEINEVAOIQ-UHFFFAOYSA-N 337.219 4.449 0 50 EIAA O=C(c1ccccc1O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 71777103 LSJFOZDRURZTCH-AWEZNQCLSA-N 345.389 4.155 0 50 EIAA CN(C)C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 72161044 YLYMHXKJDCESPU-CYBMUJFWSA-N 328.378 4.032 0 50 EIAA Cc1ccc2c(C)c(C(=O)N(C)CCCc3c(C)n[nH]c3C)oc2c1 91562868 WSLZSBFODCFEIQ-UHFFFAOYSA-N 339.439 4.094 0 50 EIAA CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(C(F)(F)F)cc12 95616875 LIDUAVFHEXFKOH-UHFFFAOYSA-N 328.334 4.254 0 50 EIAA Cc1cc([C@@H]2CCCN2Cc2cnn(-c3ccccc3Cl)c2)on1 97346986 QNMHQPWTJFMPSP-KRWDZBQOSA-N 342.830 4.159 0 50 EIAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1nccn1C(F)F 121031300 FZYYKIMXFQDBLA-LLVKDONJSA-N 328.432 4.360 0 50 EIAA CCCN(Cc1ccccc1OCC(OCC)OCC)CC1CC1 170601648 TXBUINMUNFHGBT-UHFFFAOYSA-N 335.488 4.087 0 50 EIAA Cc1cc([C@H]2CCCN2Cc2cnc(C3CCCCC3)nc2)on1 215156060 UNARJEZZWJPGCE-QGZVFWFLSA-N 326.444 4.158 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(-c2cscn2)c1 299773019 CEZYDXCPFUZBAN-INIZCTEOSA-N 345.468 4.233 0 50 EIAA COC[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(C)cc3F)c2)C1 426387837 KPYQJIYILUHYHD-MRXNPFEDSA-N 341.426 4.300 0 50 EIAA C[C@@H](NC[C@H](CCO)c1ccccc1)c1cnc(-c2ccccc2)o1 888099068 VAYSPOUIZJESGA-APWZRJJASA-N 336.435 4.158 0 50 EIAA CC(F)(F)c1cccc(NC(=O)C23CCC(C(=O)O)(CC2)CC3)c1 909693291 HWPLPYLZDRONJR-UHFFFAOYSA-N 337.366 4.162 0 50 EIAA Cc1c(Cl)c(COC(=O)CSC(F)F)nc2ccccc12 917242045 VFHPRXGEBKAULF-UHFFFAOYSA-N 331.771 4.196 0 50 EIAA Cc1cccc([C@H](CN)C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 1875316613 CKKPYIYUUYXTIA-HKUYNNGSSA-N 342.870 4.054 0 50 EIAA O=C(Nc1ccc2ccccc2c1)[C@H]1CC(c2ccc(F)cc2)=NO1 1875346197 WOPPIVBYTNHLQY-LJQANCHMSA-N 334.350 4.111 0 50 EIAA Cn1ncc2cc(CNCc3ccc(C4CCC4)cc3)c(Cl)nc21 2325794755 POOVWAMSHYCDTA-UHFFFAOYSA-N 340.858 4.179 0 50 EIAA CN(Cc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 316976 SOTCFRKCQDYKCC-UHFFFAOYSA-N 328.887 4.436 0 50 EIAA O=C(O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 434535 NIRKPXQVSGHWCH-UHFFFAOYSA-N 329.440 4.492 0 50 EIAA CN(C(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1 446132 GRSQDGOFHUDFQN-UHFFFAOYSA-N 331.371 4.328 0 50 EIAA O=C(CCCCC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 2172326 ZEYBUYQNABFBNB-UHFFFAOYSA-N 348.446 4.270 0 50 EIAA CC(C)(C)c1ccc(C(=O)NCCOc2ccccc2Cl)cc1 2190101 PZWPKZOYHKHIAN-UHFFFAOYSA-N 331.843 4.446 0 50 EIAA CC1=C(C)C[C@H](C(=O)c2ccc(Br)cc2)[C@@H](C(=O)O)C1 2304900 WKBLOZSJOWBALR-KBPBESRZSA-N 337.213 4.079 0 50 EIAA CSc1ccc(-c2nn(-c3ccc(F)cc3F)cc2CO)cc1 2544981 NUNVWIZKTBLPEM-UHFFFAOYSA-N 332.375 4.032 0 50 EIAA Cc1c(C(=O)OC(C)C)oc2c1C(=O)C[C@@H](c1ccccc1F)C2 4520072 UENGLNVUJHUYEW-GFCCVEGCSA-N 330.355 4.205 0 50 EIAA O=C(Nc1cccc(F)c1)C1CCN(Cc2cccc(Cl)c2)CC1 9063301 OAMJDAKOCLFGNO-UHFFFAOYSA-N 346.833 4.330 0 50 EIAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)C2=CCCC2)C1 11873334 ZXUNYVHRRSUEDX-OAHLLOKOSA-N 331.843 4.180 0 50 EIAA CN(Cc1nc(-c2cccs2)no1)[C@@H]1CCCc2ccccc21 12715783 BTHGQLVYPPMODL-OAHLLOKOSA-N 325.437 4.308 0 50 EIAA O=C(c1cccc(Cl)c1)N1CCC[C@H](Nc2ccc(F)cc2)C1 14956786 WKNOHEWTAUNLCC-KRWDZBQOSA-N 332.806 4.196 0 50 EIAA Cc1nn(C)cc1-c1ccnc(NCC2(c3ccccc3)CCCC2)n1 19113097 SNZZKIHVXNTYPX-UHFFFAOYSA-N 347.466 4.109 0 50 EIAA CCCCc1ccc(I)c(Br)c1 65356424 XVOPXMUOYMXGEZ-UHFFFAOYSA-N 339.014 4.396 0 50 EIAA Clc1ccc(-c2cnn3c(-c4ccc5c(c4)OCO5)ccnc23)cc1 71385103 OXHZWVRVIUUFCZ-UHFFFAOYSA-N 349.777 4.445 0 50 EIAA COc1c(F)cccc1C(=O)N1CCC[C@H](CCc2ccccc2)C1 71753708 JIMGHDHGYPVBFC-QGZVFWFLSA-N 341.426 4.319 0 50 EIAA c1ccc2c(N3CCC[C@@H](c4nccn4CC4CC4)C3)ccnc2c1 82099866 MSYSQNVXCJKLRE-QGZVFWFLSA-N 332.451 4.225 0 50 EIAA CC(C)c1nc(CN(C)C(=O)C[C@@H]2CCc3ccccc32)cs1 82107679 KPQWGAQALWERHP-HNNXBMFYSA-N 328.481 4.345 0 50 EIAA O=C(c1c[nH]nc1C1CCCCC1)N1CCc2[nH]c3ccccc3c2C1 92062314 AOFSVGMYAJKXRQ-UHFFFAOYSA-N 348.450 4.137 0 50 EIAA CC(C)[C@H](CO)N(C)C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1 97711766 AIDJHEWJVIKYDL-SFHVURJKSA-N 346.858 4.488 0 50 EIAA CC(C)(C)c1cnc(CCC(=O)N2CCC[C@H]2c2cccc(F)c2)o1 186988740 YPVPUEICYKMFKD-INIZCTEOSA-N 344.430 4.408 0 50 EIAA COc1cccc2[nH]cc(CCN[C@H]3CCCNc4ccccc43)c12 193273367 YJICBOBAKKNPKP-SFHVURJKSA-N 335.451 4.256 0 50 EIAA CCn1ncc2ccc(NC(=O)c3ccccc3Br)cc21 194673238 NDTKDHLTPLPWFA-UHFFFAOYSA-N 344.212 4.071 0 50 EIAA O=C(NCCc1ccccc1C(F)(F)F)[C@H]1CCc2ccccc21 216009742 DCEDPGBTMWGGOV-INIZCTEOSA-N 333.353 4.094 0 50 EIAA COc1ccc(/C=C/C(=O)NCc2cccc3ccccc23)cc1OC 222826043 VEAVCNGGFQJUGW-ACCUITESSA-N 347.414 4.187 0 50 EIAA CCOc1cccc2[nH]cc(CCNC(=O)Nc3ccccc3C)c12 242389490 ZXOGSHWRHSBDNW-UHFFFAOYSA-N 337.423 4.239 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(F)c(Cl)c1Cl 263500699 KTDGCVJCJJVZAF-XDTLVQLUSA-N 346.229 4.350 0 50 EIAA CO[C@H]1CCCN(C(=O)c2ccc(-c3cc(F)ccc3C)cc2)C1 426484796 NSDQPYRJBPRGNN-SFHVURJKSA-N 327.399 4.052 0 50 EIAA Cc1ccc(-c2[nH][nH]c(=NC(=O)c3ccc(C)c(Cl)c3F)c2C)o1 448258400 WAGRMVDXGSUVOE-UHFFFAOYSA-N 347.777 4.062 0 50 EIAA Cc1nsc(N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)n1 853851434 RZOSNRXONBQBDA-CQSZACIVSA-N 346.456 4.293 0 50 EIAA COC(=O)c1sccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 433744 XKCQULCITNGAHQ-JXMROGBWSA-N 343.448 4.484 0 50 EIAA C[C@H](NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCCO2 450922 QYBJXYNRWPYONB-AWEZNQCLSA-N 333.387 4.102 0 50 EIAA Fc1ccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)cc1 2466101 HHMHKWFHWAPSRV-UHFFFAOYSA-N 342.683 4.141 0 50 EIAA CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 6331195 MJVWVXUYPMGSPA-UHFFFAOYSA-N 330.815 4.074 0 50 EIAA Cc1ccc(-c2noc([C@H](C)NC(=O)OCc3ccccc3)n2)cc1 15782920 NUSRCUOADBHZEB-AWEZNQCLSA-N 337.379 4.032 0 50 EIAA CO[C@](F)(C(=O)N(Cc1ccccc1)c1ccccc1)C(F)(F)F 22018469 YMNCTRPAXVNYRG-MRXNPFEDSA-N 341.304 4.094 0 50 EIAA O[C@H](Cc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccco1 65406550 WLBHOJMIUZDLFY-LJQANCHMSA-N 344.414 4.414 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCc4[nH]nc(C5CC5)c4C3)oc2c1C 77437164 WQGYCOVVFPUVCY-UHFFFAOYSA-N 349.434 4.157 0 50 EIAA COC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1F 95100065 HDMZMHJZTRTPSM-UHFFFAOYSA-N 348.736 4.258 0 50 EIAA in-vitro Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCn3ccnc3C2)cc1 126158869 UNGKANIQHACDIZ-MRXNPFEDSA-N 347.418 4.185 0 50 EIAA O=C1C[C@@H](c2noc(-c3cccc(Cl)c3)n2)CN1C1CCCCC1 169762190 KXLFUIJIJJUHJO-CYBMUJFWSA-N 345.830 4.039 0 50 EIAA CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cccc2cn[nH]c12 170626370 SBVRFFIUAPOONT-UHFFFAOYSA-N 327.815 4.267 0 50 EIAA FC(F)(F)COc1cccc(CNc2ncnc3ccccc23)c1 170633311 YENIJOLTOOYWIM-UHFFFAOYSA-N 333.313 4.183 0 50 EIAA C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21 199781964 DRANOGPOHXHUQP-UHFFFAOYSA-N 327.298 4.111 0 50 EIAA CC(C)(C)OC(=O)NCc1ccccc1-c1ccc(C(=O)O)cc1 205497401 MLILKIVMLLNPTC-UHFFFAOYSA-N 327.380 4.077 0 50 EIAA COc1ccccc1-c1ccc(-c2ccc(NC(=O)C(C)C)cc2)nn1 216468836 YQKWOGPXRFIHCJ-UHFFFAOYSA-N 347.418 4.414 0 50 EIAA Cc1ncsc1C(=O)N(C)c1ccc(Br)cc1Cl 241515751 OHSPACPOJDTVMN-UHFFFAOYSA-N 345.649 4.144 0 50 EIAA Oc1nc(CN2CCC[C@H]2/C=C/c2ccccc2)nc2ccsc12 253630340 VCZIARZZSGIXME-HVHJFMEUSA-N 337.448 4.075 0 50 EIAA Nc1c(-c2ncc(C(F)(F)F)cc2Cl)cnn1-c1ccccc1 261494947 WQHLGZRJRGMGEM-UHFFFAOYSA-N 338.720 4.189 0 50 EIAA CSc1cc(C)ccc1CNC(=O)c1ccc(C)nc1C1CC1 455932848 JUSGNTVICTYUFM-UHFFFAOYSA-N 326.465 4.228 0 50 EIAA C[C@@H]1CC(F)(F)CCN1C(=O)Cc1ccc(SC2CC2)cc1 827453201 AWFCRUZYENOFDY-GFCCVEGCSA-N 325.424 4.130 0 50 EIAA O=C(Nc1cnn(C2CCC2)c1)N1CCC(c2cccc(F)c2)CC1 934301151 HRAUNQSCAGTDPW-UHFFFAOYSA-N 342.418 4.159 0 50 EIAA CC(C)Cn1cncc1CNc1nc(-c2ccccc2)nc2c1CCC2 952971362 DAEKEKBMMBPFOZ-UHFFFAOYSA-N 347.466 4.097 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H](C(C)C)O1 1857714762 KSWZGACFMUSKKJ-NVXWUHKLSA-N 346.496 4.352 0 50 EIAA N[C@H]1CCCC12CCN(C(=O)C1(c3cccs3)CCCCC1)CC2 1875292980 YUUWNAKTIXGXCY-INIZCTEOSA-N 346.540 4.070 0 50 EIAA CC[C@H]1C[C@]1(NC(=O)CCSc1ccccn1)c1cccc(C)c1 1875322120 IZEXDSJNLNEEMK-OXJNMPFZSA-N 340.492 4.314 0 50 EIAA O=C(Cn1cnc2c1CCCC2)O[C@@H]1CCCc2ccc(Cl)cc21 2325823735 CCLXBNRRGDUEIU-GOSISDBHSA-N 344.842 4.036 0 50 EIAA CC(C)Oc1ccc2c(NCc3ccc4nc(O)[nH]c4c3)ccnc2c1 2325857579 HHIHXISXZRVHTG-UHFFFAOYSA-N 348.406 4.216 0 50 EIAA CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 1624 MXYUKLILVYORSK-HBMCJLEFSA-N 337.463 4.236 0 50 EIAA biogenic,world COC(=O)c1sccc1NC(=O)c1ccc(Cl)cc1Cl 82780 TZTNJHQHNQQEPB-UHFFFAOYSA-N 330.192 4.094 0 50 EIAA Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Cl)cc1)C3 98293 GFEUEIVFZGADOL-UHFFFAOYSA-N 327.767 4.111 0 50 EIAA O=C(c1cnc2c(c1)COc1ccccc1-2)c1cc(Cl)ccc1O 113120 AVYPRQLKGLXVKV-UHFFFAOYSA-N 337.762 4.231 0 50 EIAA COc1cc(Br)c(CN[C@@H]2CCCC[C@@H]2C)cc1OC 183488 UCXXVXIRWXGCGZ-SMDDNHRTSA-N 342.277 4.135 0 50 EIAA O=C(NCc1ccccc1)c1cc(-c2ccccn2)nc2ccccc12 217207 WOMIFYLETGKIHK-UHFFFAOYSA-N 339.398 4.227 0 50 EIAA COc1cc(CNc2ccc(F)c(Cl)c2)cc(OC)c1OC 280605 UOKIMODGXYGJMC-UHFFFAOYSA-N 325.767 4.117 0 50 EIAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl 295249 SDWHHCLFKOGDNN-UHFFFAOYSA-N 335.734 4.160 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 309731 WWOPONNPKARRIM-UHFFFAOYSA-N 328.170 4.458 0 50 EIAA O=Cc1cc(Br)ccc1OC(=O)c1ccccc1Cl 316828 DAFUAEYBKIWKIK-UHFFFAOYSA-N 339.572 4.134 0 50 EIAA Cc1cc(OCC(=O)Nc2ccc(F)cc2F)cc(C)c1Cl 449775 CDRCZCGPWMRSQK-UHFFFAOYSA-N 325.742 4.253 0 50 EIAA Cc1cccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 452535 VVMWKPWLXYGOPS-UHFFFAOYSA-N 344.461 4.228 0 50 EIAA C[C@H](NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1 818534 SKVIJGBIVSPOOH-HNNXBMFYSA-N 346.430 4.111 0 50 EIAA O[C@@H](Cn1cnc2ccccc21)Cn1c2ccccc2c2ccccc21 2289045 XLVGAHBIKRURIJ-INIZCTEOSA-N 341.414 4.205 0 50 EIAA Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C(C)(C)C)cc1 2561875 HPACZNSFSPHFAV-UHFFFAOYSA-N 343.492 4.434 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 3017340 HVENYFWKAQPGTM-UHFFFAOYSA-N 331.821 4.002 0 50 EIAA CCCCCCOc1cccc(NC(=O)O[C@@H]2CN3CCC2CC3)c1 4566630 IRDQWHHOSOSGMN-LJQANCHMSA-N 346.471 4.288 0 50 EIAA CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1 4828602 SXDATOBDYYMYDY-CYBMUJFWSA-N 348.374 4.371 0 50 EIAA c1ccc(CC2CCN(CCOCCOc3ccccc3)CC2)cc1 4845190 FUEOVTSXYWMYSJ-UHFFFAOYSA-N 339.479 4.037 0 50 EIAA CC[C@@H](C)Nc1ncnc2sc([C@H]3COc4ccccc4O3)cc12 6489063 GBMPWKUUQPHOGO-IAQYHMDHSA-N 341.436 4.414 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)c2ccccc2OC(C)C)c1 9230045 UKKRQKDAVMIXCY-UHFFFAOYSA-N 340.423 4.465 0 50 EIAA COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 10156639 FYWKNJRGGNEUNX-CYBMUJFWSA-N 349.390 4.043 0 50 EIAA CCc1ccccc1NC(=S)Nc1cc(C(=O)OC)ccc1C 13793277 ZHPBAKNNBPBIOQ-UHFFFAOYSA-N 328.437 4.153 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC)o2)cc1 65386702 ITARHCFHRMNKLG-UHFFFAOYSA-N 330.384 4.059 0 50 EIAA CCSCCn1cnc(-c2ccccc2)c1-c1cncn1CC 65404343 MGAHHUYKDPHGAQ-UHFFFAOYSA-N 326.469 4.187 0 50 EIAA Cc1ncsc1CCN(C)C(=O)c1cccc(-c2ccccc2)c1 72407458 KZEIWNOBZBPSFB-UHFFFAOYSA-N 336.460 4.433 0 50 EIAA O=C1C[C@H](c2ccccc2)CN1Cc1ccc(C(F)(F)F)cc1F 95500971 VBSRIYIXPYPPQP-AWEZNQCLSA-N 337.316 4.361 0 50 EIAA O=C(Cc1ccoc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 131525268 GFZSCVOQAKNUAN-UHFFFAOYSA-N 344.798 4.023 0 50 EIAA Cc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c(F)c1 169775525 IJGIFMRHHGNPCC-UHFFFAOYSA-N 347.353 4.385 0 50 EIAA CCCN(Cc1ccc2ncccc2c1)[C@H](C)C(=O)Nc1ccccc1 170591376 LAVSSFRRWSDJNX-QGZVFWFLSA-N 347.462 4.474 0 50 EIAA COc1ccc2nc(C)cc(C(=O)N[C@H](c3ccccc3)C3CC3)c2c1 170638548 QAUXDXXJTMPYSC-OAQYLSRUSA-N 346.430 4.433 0 50 EIAA C[C@H](C(=O)Nc1nc2ccccc2n1C1CCCC1)c1cccnc1 175177624 VKLVBJZZHRUTFP-AWEZNQCLSA-N 334.423 4.289 0 50 EIAA O=C(Nc1ccccc1Oc1cccc(F)c1)[C@H]1CC[C@@H](C(=O)O)C1 263189764 IKKCMVWOGKFGCX-QWHCGFSZSA-N 343.354 4.057 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1csc(-c2ccsc2)n1 299742798 KLZJDTDTUOAAAF-GLQYFDAESA-N 348.493 4.089 0 50 EIAA Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2cccc3cccnc23)s1 359238255 INIXRGDYFFWVJM-ZDUSSCGKSA-N 339.464 4.070 0 50 EIAA Cc1cc(F)ccc1-c1cccc(C(=O)NCCC[C@@H]2CCOC2)c1 426683745 FQWKFYUORXZAGD-MRXNPFEDSA-N 341.426 4.348 0 50 EIAA COC[C@H](C)N(Cc1ccccc1C)Cc1cccc(O)c1Cl 952985978 VFTPLXZTSRQJCS-HNNXBMFYSA-N 333.859 4.391 0 50 EIAA CCC(CC)(CO)CN(C)C(=O)c1ccccc1-c1ccccc1F 952987259 MTGHOZLZRWTNFA-UHFFFAOYSA-N 343.442 4.363 0 50 EIAA CC1=CC2(CCN(C(=O)c3csc4ccccc34)CC2)OCC1 1704301362 WJQDESHVQIRXEP-UHFFFAOYSA-N 327.449 4.243 0 50 EIAA O=C(N1CCC[C@H]1C1(O)CC1)C1(c2ccc(Cl)cc2)CCCCC1 1772808938 GMNYBUVPTJAFKF-KRWDZBQOSA-N 347.886 4.058 0 50 EIAA CC(C)C(=O)Nc1cccc2c1CCCN2C(=O)CC(C)(C)C1CC1 1875254466 UJKMVJXLNUJAAZ-UHFFFAOYSA-N 342.483 4.387 0 50 EIAA Cc1c(C(=O)NCCc2ccc3c(c2)COC3)oc2c(C)cccc12 2325751319 BPVDEBACNOKZHG-UHFFFAOYSA-N 335.403 4.052 0 50 EIAA O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1[C@H]2CCC(F)(F)[C@@H]12 2325789742 JVDYCBSMRONPQH-OWCLPIDISA-N 330.334 4.104 0 50 EIAA Cc1nc2ccc(COC(=O)c3ccc(-n4ccnc4)cc3)cc2s1 2325855622 IISBKJQUJVFVSM-UHFFFAOYSA-N 349.415 4.147 0 50 EIAA CCSc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1 96110 KSXDENRXBDLLTA-UHFFFAOYSA-N 339.464 4.404 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 447527 IIRSLHQMVVGVID-UHFFFAOYSA-N 338.451 4.311 0 50 EIAA COc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1OC 457492 WKLHCGYNSRUAMY-UHFFFAOYSA-N 330.767 4.439 0 50 EIAA CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 574426 COJZECXGZSRRQB-UHFFFAOYSA-N 340.206 4.410 0 50 EIAA Cc1cccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 581978 GSZSBCCJLOMHOR-UHFFFAOYSA-N 337.444 4.391 0 50 EIAA O=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2Cl)s1 618153 BKPRMVXQPHFOEY-UHFFFAOYSA-N 347.802 4.179 0 50 EIAA O=C(NC1CCCCC1)c1ccc(COc2ccc3c(c2)CCC3)o1 2759866 RCPNXGDZTHLPKS-UHFFFAOYSA-N 339.435 4.410 0 50 EIAA O=C1c2ccccc2C(=O)N1c1ccc(OCCc2ccccc2)cc1 4056235 AUMACLYXFRKVLT-UHFFFAOYSA-N 343.382 4.109 0 50 EIAA COc1cccc(CC[C@@H]2CCCN(C(=O)c3ccsc3)C2)c1 11844455 CXZMSJPDNGYOHF-INIZCTEOSA-N 329.465 4.242 0 50 EIAA CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 13326808 ZVAGCUGXBPKDLQ-NSHDSACASA-N 328.437 4.084 0 50 EIAA O=C(NC1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 19770266 SLLFNMDYHZYYNA-UHFFFAOYSA-N 348.490 4.307 0 50 EIAA CCCc1ccc2oc(C(=O)NCCc3c(C)n[nH]c3C)c(C)c2c1 20993004 UYMQTJJNTOPTQW-UHFFFAOYSA-N 339.439 4.006 0 50 EIAA O=C(Nc1ccccc1SCc1ccccc1F)c1ccnnc1 55099564 JOLOIVWJKFCLDD-UHFFFAOYSA-N 339.395 4.160 0 50 EIAA O=C(O)c1ccccc1CN(Cc1ccccc1)Cc1nccs1 55393175 MJHJUFVXOQITES-UHFFFAOYSA-N 338.432 4.044 0 50 EIAA Fc1ccc(-c2ccnc3nc(SCc4ccccc4)nn23)cc1 57530979 SYPQJSICKLBWJK-UHFFFAOYSA-N 336.395 4.223 0 50 EIAA CCCc1noc([C@@H](C)n2ccnc2-c2c(F)cccc2Cl)n1 82134855 LWLYVLCAJGQXGE-SNVBAGLBSA-N 334.782 4.287 0 50 EIAA O=C1C[C@H](c2cccs2)c2ncn(-c3ccc(Cl)cc3)c2N1 95612554 AAZPEQMBLBEXHB-GFCCVEGCSA-N 329.812 4.061 0 50 EIAA Cc1ccc2oc(C(=O)N3CCC[C@@]4(CCCO4)CC3)c(C)c2c1 97527992 QPKKOPAVSRDCCA-HXUWFJFHSA-N 327.424 4.225 0 50 EIAA Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1 155881410 AYEXYMFQEGNOHR-RYUDHWBXSA-N 340.370 4.151 0 50 EIAA O=C(CCc1ccco1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 189685152 JKRDLIFWHXPOFG-LJQANCHMSA-N 349.434 4.356 0 50 EIAA CC(C)(CC(=O)N1CCc2cnccc21)Cc1ccc(Cl)cc1 189912099 QHNSGWFVBLSZJF-UHFFFAOYSA-N 328.843 4.283 0 50 EIAA CCc1c(C(=O)Nc2cc(Cl)ccc2C)nnn1-c1ccccc1 252483356 DZLJGAZHMMIIQF-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA C[C@@H](CNC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1 299803983 OSQNLGZAVMYNII-INIZCTEOSA-N 332.488 4.059 0 50 EIAA Clc1cccc2c1OCCC[C@H]2Nc1ccc2nccnc2n1 302049671 ZTZNMCSVXAGEQR-CYBMUJFWSA-N 326.787 4.004 0 50 EIAA COc1ccc(CN(C)C(=O)[C@H]2CC23CCCCC3)c2cccnc12 426477848 FFBSIGFBESNMPE-QGZVFWFLSA-N 338.451 4.172 0 50 EIAA C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccn1)[C@H](C)c1ccccc1 434227889 LSYLERSYNKWTNZ-RYUDHWBXSA-N 337.345 4.414 0 50 EIAA Cc1nnc(-c2ccc(C(=O)N3CC4(CCC4)[C@@H]3c3ccco3)cc2)o1 456580537 YCOVESZPPUWZQD-KRWDZBQOSA-N 349.390 4.005 0 50 EIAA Cc1[nH]nc2ncc(NCc3ccc(OC(F)F)c(Cl)c3)cc12 463251402 WHDBNHQJGOXPSG-UHFFFAOYSA-N 338.745 4.133 0 50 EIAA C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(C(F)F)nc1 850451795 GOSZYOYHLBVCSR-WBMJQRKESA-N 334.366 4.360 0 50 EIAA OCC1(N(Cc2ccccc2)Cc2csc(Cl)n2)CCCC1 859323126 UHGJCTNAXJVUBL-UHFFFAOYSA-N 336.888 4.104 0 50 EIAA Cc1nc(C(=O)NCCc2ccccc2)c(-c2ccc(F)cc2)s1 888103859 FRVIWCHMZNDTNF-UHFFFAOYSA-N 340.423 4.230 0 50 EIAA COc1ccc(C[C@]2(O)C(=O)CCCC=C3CC[C@H]2C3(C)C)cc1 1501069204 JNMPOENVTSSKQS-GHTZIAJQSA-N 328.452 4.084 0 50 EIAA O=C(N[C@@H](Cc1ccncc1)CC1CCCC1)[C@H]1CC12CCCC2 1875261814 HLKBCGZWRXKTBW-RTBURBONSA-N 326.484 4.270 0 50 EIAA Cc1ccc([C@@]2(O)CCN(Cc3ncc(-c4ccccc4C)o3)C2)cc1 1875320515 SDWSXPDJWXZXMB-JOCHJYFZSA-N 348.446 4.052 0 50 EIAA COc1ccc(C[C@@H]2CCN2C(=O)C2CCC3(CCC3)CC2)cc1 1875333603 DAODEEJJJHSBFD-SFHVURJKSA-N 327.468 4.199 0 50 EIAA COc1ccc([C@H](C)NCc2nc3cc(C)cc(C)c3[nH]2)cc1OC 2325896218 UCLKLZDCZAKNIZ-AWEZNQCLSA-N 339.439 4.048 0 50 EIAA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Cl)cc1 332941 RKZWOQRHZOKRQA-UHFFFAOYSA-N 326.566 4.447 0 50 EIAA O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1cccc2ccccc12 390037 KGDXRSCDQWTXKW-UHFFFAOYSA-N 348.789 4.086 0 50 EIAA Cc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc1 427722 VXCDPSOOJALPSG-OAHLLOKOSA-N 325.408 4.109 0 50 EIAA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1 450404 XBTZBKVJWHSRKU-UHFFFAOYSA-N 348.855 4.254 0 50 EIAA COc1ccc(NC(=S)N2CCCc3cc(C)ccc32)cc1OC 611321 NPFOVFVXJVVJQP-UHFFFAOYSA-N 342.464 4.162 0 50 EIAA C[C@@]1(c2ccc(Br)cc2)NN=C(c2ccccc2)S1 2920297 JWIKUYGTKQWIEZ-OAHLLOKOSA-N 333.254 4.320 0 50 EIAA CCOP(=O)(Cc1ccc(NC(=O)c2ccco2)cc1)OCC 4722268 YIQVXALGMCNSPF-UHFFFAOYSA-N 337.312 4.298 0 50 EIAA O=C(O)[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cccc2ccccc12 4724373 IGZCDZIYCVPQKN-GJZGRUSLSA-N 329.783 4.012 0 50 EIAA O=C(c1ccc(NC(=O)c2ccccc2F)cc1)c1cccs1 4869411 IMQMONRDCQQIIW-UHFFFAOYSA-N 325.364 4.371 0 50 EIAA Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@H](c1ccco1)C2 10156650 WAFBZXFZXKNLPQ-GFCCVEGCSA-N 337.354 4.173 0 50 EIAA CCN(CC)c1ncccc1CNCc1cccc(C(F)(F)F)c1 11873093 BQXZEPATEQKCIO-UHFFFAOYSA-N 337.389 4.236 0 50 EIAA CC(C)CCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 12593615 UDSHPVIQIFRAKS-SFHVURJKSA-N 339.435 4.100 0 50 EIAA O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccccc1F 13680262 IXEKLCCDKHVSKI-UHFFFAOYSA-N 334.199 4.074 0 50 EIAA COc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1C 22860406 JBVBLQNLYNAOND-RBBKRZOGSA-N 342.527 4.233 0 50 EIAA c1ccc(COCc2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)cc1 65371768 MVLRUAWCQVTDCI-FQEVSTJZSA-N 348.446 4.446 0 50 EIAA CCc1ccc(-c2c(-c3ccccc3)ncn2CCn2ccnc2)o1 65425605 POYQFBBVWSGCBR-UHFFFAOYSA-N 332.407 4.269 0 50 EIAA CCc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2cccs2)o1 82135166 KKNALJLDYGYVBK-AWEZNQCLSA-N 332.469 4.234 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 101896792 MSGJBXBPJDFSGP-VDERGJSUSA-N 349.352 4.187 0 50 EIAA Cc1nc2cc(NC(=O)c3cncc(-c4ccccc4)c3)ccc2n1C 133746598 UACKYKRXXBFIOE-UHFFFAOYSA-N 342.402 4.196 0 50 EIAA CCCOc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cn1 156688720 HMVIVUPEAIZYKN-SFHVURJKSA-N 338.451 4.407 0 50 EIAA Cc1cc(C)c(CSCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(C)c1 170615352 QUUWFBLDGZAGRN-RTBURBONSA-N 347.524 4.015 0 50 EIAA CC(F)(F)c1cccc(NC(=O)C[C@H]2OCCc3ccccc32)c1 189376376 OKRDLVZLFAVGPP-QGZVFWFLSA-N 331.362 4.441 0 50 EIAA Clc1ccc2nc([C@H]3CCCN3CCCc3cccnc3)[nH]c2c1 244712668 KUAWBDIMAVFXOI-GOSISDBHSA-N 340.858 4.381 0 50 EIAA CCc1ccc([C@H]2CCCCN2Cc2nc(CC(F)(F)F)no2)o1 331688387 XZYXAHYLKYCPQH-GFCCVEGCSA-N 343.349 4.057 0 50 EIAA CO[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 448656441 OHSJZSXGNRCVRM-RDTXWAMCSA-N 331.843 4.117 0 50 EIAA Cc1ccccc1-n1ncc(NC(=O)N[C@@]23CCC[C@@H]2C3)c1C(F)F 667292438 KLMUJOBHAZZLNA-KZULUSFZSA-N 346.381 4.182 0 50 EIAA CN1CCC(n2cc(NCc3ccccc3-c3ccccc3)cn2)CC1 865703771 MNFDAPRVSDBEBW-UHFFFAOYSA-N 346.478 4.429 0 50 EIAA CCCn1ncc(NC(=O)N[C@](C)(C2CC2)C(F)(F)F)c1C1CC1 933574841 ZQJUOTYIVDAZGS-OAHLLOKOSA-N 344.381 4.023 0 50 EIAA C[C@@H](CCNC(=O)c1ccc(-c2ccccc2Cl)o1)n1ccnc1 952990354 UTTGOVDASINWIZ-ZDUSSCGKSA-N 343.814 4.178 0 50 EIAA CCSCc1nnc2sc(-c3cccc4ccccc34)nn12 1775972120 GQMWHMDXAGELEJ-UHFFFAOYSA-N 326.450 4.259 0 50 EIAA c1ccc2[nH]c(-c3nnc([C@H]4[C@H]5CC[C@@]4(c4ccncc4)C5)o3)cc2c1 1875291062 MXRMLRLFRUEDMX-HLLQZAQXSA-N 342.402 4.448 0 50 EIAA CO[C@@H](c1nc(-c2ccc(C)cc2)nn1CC(C)(C)C)[C@@H]1CCOC1 1875336401 ZJAFNUMPDCJYAH-IAGOWNOFSA-N 343.471 4.024 0 50 EIAA COc1cc2c(cc1OC)[C@@H](c1ccc(C(C)(C)C)cc1)NCC2 34460 CSOOWMINZBTBLR-HXUWFJFHSA-N 325.452 4.236 0 50 EIAA biogenic CSc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 272259 KZEBUFVIMSSWFI-UHFFFAOYSA-N 329.450 4.016 0 50 EIAA CCc1cccc(CC)c1NC(=O)Nc1cc(OC)ccc1OC 398135 QNBFTKCQGCIKEV-UHFFFAOYSA-N 328.412 4.473 0 50 EIAA O=C(NCc1cccnc1)Nc1cc(Cl)c(Cl)cc1Cl 398219 ZZHHYVXECVOFOO-UHFFFAOYSA-N 330.602 4.364 0 50 EIAA Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)ccc1Br 456011 SYVCWJGAIOPKAV-GFCCVEGCSA-N 334.213 4.164 0 50 EIAA CC[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccccc1 1055381 KJGZOPVDFGKVBO-MRXNPFEDSA-N 341.794 4.328 0 50 EIAA Cc1cccc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)c1 2786980 HFFJZBPCXYUFII-UHFFFAOYSA-N 341.798 4.134 0 50 EIAA Ic1ccccc1-c1nc(-c2ccccc2)no1 6704719 BKYODFASOKWLGM-UHFFFAOYSA-N 348.143 4.008 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 9230472 CUXKIFSIJGULGI-SFHVURJKSA-N 340.423 4.077 0 50 EIAA O=C(Nc1ccc(C(=O)c2cc3ccccc3o2)cc1)c1ccncc1 12389479 OWQNJXCZIKHLKJ-UHFFFAOYSA-N 342.354 4.311 0 50 EIAA biogenic Cc1ccccc1Cn1ccc(NC(=S)Nc2ccccc2C)n1 13331062 WHHZIFCQUFKAQR-UHFFFAOYSA-N 336.464 4.357 0 50 EIAA O=C(Nc1nnc(-c2ccncc2)s1)c1cccc2ccccc12 13331275 MWIJPFUSHYTRHX-UHFFFAOYSA-N 332.388 4.006 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1OC 36620903 ZJFDWCPWYCDQMN-QGZVFWFLSA-N 340.423 4.381 0 50 EIAA Cc1cccc(SC2CCN(Cc3ccccc3C(=O)O)CC2)c1 67490374 WYLDGUGJHRPLPK-UHFFFAOYSA-N 341.476 4.450 0 50 EIAA CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 71297091 KSGCNXAZROJSNW-UHFFFAOYSA-N 337.400 4.442 0 50 EIAA investigational CSc1cccc(CN(C)C(=O)Nc2cc(C)nn2C(C)C)c1 96162658 SWJAANMACQHMAD-UHFFFAOYSA-N 332.473 4.158 0 50 EIAA CCc1nc2ccc(NC(=O)N(C)[C@@H](C)c3nc(C)cs3)cc2[nH]1 97117021 VDXJISHWTPNELP-NSHDSACASA-N 343.456 4.115 0 50 EIAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102607100 LKWMEDLWCIVBFH-BLFANLJRSA-N 348.295 4.096 0 50 EIAA Cc1cncc(/C=C/C(=O)OCc2cnc(-c3ccccc3)s2)c1 127405988 BESVALBTGOAVQF-BQYQJAHWSA-N 336.416 4.270 0 50 EIAA O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccc2)cs1 170623624 QYIPEJTUQJKZFQ-UHFFFAOYSA-N 348.427 4.039 0 50 EIAA Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@H](C)c2ccncc2F)cc1 240757072 HWCXYQUEZXKCGI-MDYRTPRTSA-N 328.431 4.348 0 50 EIAA Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 242191269 XEFWHCBIGJEZIM-GDBMZVCRSA-N 328.387 4.066 0 50 EIAA CCO[C@H]1CCCN(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)C1 252490310 KOYXLGPMBAXCMW-AWEZNQCLSA-N 330.350 4.047 0 50 EIAA CC1(C)CCC(S(=O)(=O)Cc2coc(-c3cccs3)n2)CC1 331927048 MZWMIJLIXRZFNF-UHFFFAOYSA-N 339.482 4.287 0 50 EIAA Cc1cc(CNC(=O)N(Cc2ccc(C)s2)C2CCCC2)no1 426548533 OJCMORQRGZJJBW-UHFFFAOYSA-N 333.457 4.007 0 50 EIAA Cc1nc(CNc2ccc(Cl)cc2C(=O)N2CCCC2)c(C)s1 443471539 YZAURKAXMWGVKU-UHFFFAOYSA-N 349.887 4.261 0 50 EIAA O=C(CCCc1ccc(F)cc1)Nc1cccc(CN2CCCC2)c1 828065524 YWUPBBXGJHZAMA-UHFFFAOYSA-N 340.442 4.383 0 50 EIAA COc1ccc2cc([C@@H](C)OC(=O)C[C@H](C)n3ccnc3)ccc2c1 844413732 NFFQAJHSLDZVLQ-LSDHHAIUSA-N 338.407 4.300 0 50 EIAA O=C1CC[C@H](NC2c3ccccc3-c3ccccc32)CCN1CC1CC1 952870363 YFWCYDFBCKIGRX-KRWDZBQOSA-N 346.474 4.137 0 50 EIAA Cc1nc(NC(=O)c2n[nH]c3ccccc23)cc(-c2ccccc2)c1C 1857712386 XWFQBBRRUBGPMV-UHFFFAOYSA-N 342.402 4.494 0 50 EIAA Cc1ccc2cc(CNCc3cnc(C)n3-c3ccccc3)ccc2n1 2325748395 ZETQNBBMIDQINO-UHFFFAOYSA-N 342.446 4.327 0 50 EIAA C[C@H](NC(=O)c1ccc(F)c2ccsc12)c1cnc2n1CCCC2 2325869090 YFFFNAXHFWQMRY-NSHDSACASA-N 343.427 4.064 0 50 EIAA Cc1cc(Br)ccc1OCC(=O)N[C@@H](C)c1ccccc1 37598 OTRALLIMWLKVSH-ZDUSSCGKSA-N 348.240 4.014 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)CCC(=O)O)cc2Cl)cc1 191475 JVHBAHLDGJVMNX-UHFFFAOYSA-N 333.771 4.244 0 50 EIAA Cc1cccc(-c2noc(CNC(=O)CCC3CCCCC3)n2)c1 7759642 KTMXNZPWVCBJRV-UHFFFAOYSA-N 327.428 4.022 0 50 EIAA Cc1nnc(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)s1 9027060 LUJRGWSVSCHHMU-HNNXBMFYSA-N 347.509 4.129 0 50 EIAA Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc1 17949184 LBKOSVJKXJYBCB-MRXNPFEDSA-N 329.403 4.441 0 50 EIAA CC(C)Cc1cc(=O)[nH]c(-c2cccc(CN3CCCCCC3)c2)n1 19744253 KUUDRNBYSMVEEL-UHFFFAOYSA-N 339.483 4.011 0 50 EIAA Cc1ccc(NC2(C(=O)N(C)CCC[C@@H]3CCCO3)CCCC2)cc1 65406367 SSUWGHUCBPEIQY-LJQANCHMSA-N 344.499 4.137 0 50 EIAA C[C@H](c1ccc(-c2ccccc2OCCN(C)C)cc1)N1CCCC1 96140864 JBGMAYYFEUHSQT-GOSISDBHSA-N 338.495 4.451 0 50 EIAA Cc1nc2cc(C(=O)NCCCSC3CCCCC3)ccc2[nH]1 97370508 XJEMXAAGVDICJJ-UHFFFAOYSA-N 331.485 4.057 0 50 EIAA Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)cc1C 100593075 AWPHKCKJSLGFKN-OAHLLOKOSA-N 327.811 4.079 0 50 EIAA CC(=O)Nc1cccc(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)c1 170596169 JYHAIRBHCOCLJF-VBKZILBWSA-N 336.435 4.089 0 50 EIAA C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccccc1Cl 177505723 SQBGEFSJFQOPJB-JTQLQIEISA-N 327.833 4.160 0 50 EIAA O=C(c1ccccc1NCc1cc(F)cc(F)c1)N1CCCCC1 187255146 TZUQTQYPXKLVHN-UHFFFAOYSA-N 330.378 4.203 0 50 EIAA c1csc([C@@H](Nc2ccc(N3CCCCC3)cn2)c2ncc[nH]2)c1 195094174 QUXZIBAIZJXVQA-QGZVFWFLSA-N 339.468 4.058 0 50 EIAA O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@@H]1c1nccs1 221228436 JRXCDCCWKFCJGO-QGZVFWFLSA-N 341.480 4.111 0 50 EIAA CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@]3(CC=CCC3)C2)c1C 230212453 UZAXXIHCJCNMLS-HRAATJIYSA-N 342.483 4.228 0 50 EIAA COc1ccc([C@@H](C)CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 242302220 YQOODWXTJVWMFQ-JXFKEZNVSA-N 327.468 4.148 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257357387 NTIDOCUQWIFRTK-OMKWMAHMSA-N 334.500 4.179 0 50 EIAA Cc1cc(C)c(NC(=O)N2CC(Oc3ccc(F)cc3)C2)c(C)c1 299777918 ODRFQAHRBBUEDR-UHFFFAOYSA-N 328.387 4.046 0 50 EIAA C[C@@H]1C[C@H](NC(=O)N2CCCC3(CCCCC3)CC2)c2nccn21 334068630 FLLWWHBCZOZJJG-CVEARBPZSA-N 330.476 4.035 0 50 EIAA COC1(C(F)(F)F)CCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 416271839 XYPLLPIJYWBNRM-OLZOCXBDSA-N 335.410 4.019 0 50 EIAA CC[C@@H](CC(=O)N1C[C@H](C(=O)O)c2ccccc21)c1ccc(C)cc1 439711580 URKIREIPVSEJFT-YJBOKZPZSA-N 337.419 4.094 0 50 EIAA C[C@H](c1ccc(-c2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1 534676848 AXXBNDRZTBMDNH-CYBMUJFWSA-N 336.357 4.161 0 50 EIAA COc1ccc(-c2nc(CC(F)(F)F)nn2C2CCCC2)cc1 1875322682 AREQBUXUSDNGFY-UHFFFAOYSA-N 325.334 4.174 0 50 EIAA CC1(C)CN(C(=O)Nc2cncc3ccccc23)Cc2ccccc2O1 1875365142 IHYJBIRSGLKLNE-UHFFFAOYSA-N 347.418 4.440 0 50 EIAA COc1ccc(C)cc1/C=C/C(=O)OCc1cncc2ccccc12 2325733078 OAWRYCBCWZVXNQ-CSKARUKUSA-N 333.387 4.308 0 50 EIAA O=C(NCCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 137964 XKIDWVUPWQYMQP-UHFFFAOYSA-N 327.733 4.331 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1C 360587 JMNVEADKZOQNMS-UHFFFAOYSA-N 344.842 4.046 0 50 EIAA CCCCOc1ccc(NC(=O)c2cncc(Br)c2)cc1 1772226 ZZSZPWKGGLUJNF-UHFFFAOYSA-N 349.228 4.275 0 50 EIAA CCCCOc1ccc(C(=O)OCc2ccc(C(=O)OC)cc2)cc1 2838791 JAVAAFIYYLLCBM-UHFFFAOYSA-N 342.391 4.009 0 50 EIAA CCC(CC)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 4512067 AJZNHJWSTPVJHE-UHFFFAOYSA-N 325.368 4.371 0 50 EIAA Clc1cccc(-c2nc(-c3ccc(Br)o3)no2)c1 4602292 UTJADAZVCPXVAW-UHFFFAOYSA-N 325.549 4.413 0 50 EIAA Sc1nnc(-c2csc3c2CCCC3)n1Cc1ccccc1 6557647 JLJGQCJESIHQKC-UHFFFAOYSA-N 327.478 4.222 0 50 EIAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(C)cc1C 7759942 KTDCBILXVCHGBG-UHFFFAOYSA-N 349.434 4.324 0 50 EIAA CC(=O)c1ccc2nc(C)c(CN(C)Cc3ccccc3)c(O)c2c1 8572561 WOWMHEQMIRLQRK-UHFFFAOYSA-N 334.419 4.083 0 50 EIAA COc1ccc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)c(C)c1C 11946388 BWVVGCBBIBNRCN-JOCHJYFZSA-N 342.527 4.010 0 50 EIAA CC(C)(C)Cc1c(-c2ccccc2)ncn1C[C@@H](O)c1cccnc1 65373715 DJGHQQCRKUJOME-LJQANCHMSA-N 335.451 4.267 0 50 EIAA Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccc(O)cc3)C2)cc1 67691672 MGEDQPGACPZYKD-LJQANCHMSA-N 347.462 4.470 0 50 EIAA CCCCc1nc(CN2CCC(Oc3ccccc3Cl)CC2)c[nH]1 72156655 OQKQTMWKWKSMMG-UHFFFAOYSA-N 347.890 4.449 0 50 EIAA Cc1csc([C@@H](C)N(C)C(=O)c2c(-c3ccccc3)noc2C)n1 96131162 MTOJUAKTAIEIHD-GFCCVEGCSA-N 341.436 4.248 0 50 EIAA Cc1ccccc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 152961692 HULGALNWIGKZQM-UHFFFAOYSA-N 330.387 4.244 0 50 EIAA O=C([C@@H]1CCCc2c(O)cccc21)N(Cc1ccccc1F)C1CC1 190041795 IXZFGJDYEDKZAY-GOSISDBHSA-N 339.410 4.142 0 50 EIAA C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC(NC(=O)C2CC2)CC1 195409451 JNDSKGCNYCJSBJ-HNNXBMFYSA-N 328.500 4.036 0 50 EIAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1c(C(F)(F)F)ccnc1Cl 239667204 BPKIMIYFOLDNPK-WCABBAIRSA-N 334.769 4.308 0 50 EIAA c1ccc(Cn2cncc2CN2CCCC[C@H]2c2nccs2)cc1 244601963 DVCVOBNJMJNAGA-SFHVURJKSA-N 338.480 4.115 0 50 EIAA O=C(O)c1ccccc1C1CCN([C@H]2CCc3ccc(F)cc32)CC1 363859244 VVWHNUFTAZVQGG-FQEVSTJZSA-N 339.410 4.391 0 50 EIAA CO[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3SC)cc2)C1 426479727 KHNRVNBAANSUDO-QGZVFWFLSA-N 341.476 4.327 0 50 EIAA CC(=O)c1cnc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)s1 801674222 ITDOUXIJRAYWDZ-LLVKDONJSA-N 346.305 4.014 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1 1506407091 NZJDLPAXIYLHNJ-QGZVFWFLSA-N 340.442 4.341 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H](C(C)C)O1 1529187525 UNIDYWHGQIRTAI-CZUORRHYSA-N 325.399 4.021 0 50 EIAA Oc1cc(F)cc([C@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3)C2)c1 1875348753 BIYKHFKHPODUMG-IFXJQAMLSA-N 349.833 4.098 0 50 EIAA COc1ccc(-c2ccc(CN3CCC[C@@H](OC)C3)c(C)c2)cc1F 2356149532 GJOBAUKLLSKQTG-LJQANCHMSA-N 343.442 4.421 0 50 EIAA CCOc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 112424 MOGOBQBJPFRVBC-UHFFFAOYSA-N 339.464 4.096 0 50 EIAA O=C1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1 254634 JUOUMGCILMRHIX-UHFFFAOYSA-N 329.355 4.066 0 50 EIAA CC(C)C(=O)Nc1cccc(C(=O)OCc2ccccc2Cl)c1 621123 RYIGDWHEZMELIP-UHFFFAOYSA-N 331.799 4.292 0 50 EIAA COc1ccccc1N1C(=O)S/C(=C\c2ccc(C)s2)C1=O 1135166 CKTIARXUFCVGMF-ZROIWOOFSA-N 331.418 4.306 0 50 EIAA COc1ccc(-c2cc([C@H](O)[C@@H]3CCCCN3)c3ccccc3n2)cc1 1608706 PKDJQOGOVQLPPG-UNMCSNQZSA-N 348.446 4.086 0 50 EIAA in-vitro CCN(CC)c1ccc(NC(=O)CCCOc2ccccc2)cc1 1779482 RJLKDFDJFCJJDJ-UHFFFAOYSA-N 326.440 4.331 0 50 EIAA O=C(/C=C/c1ccc(Br)cc1)NCCCc1ccccc1 2774159 XXRGRPRXPWACHE-JLHYYAGUSA-N 344.252 4.211 0 50 EIAA CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(C)(C)C)on1 2789162 NMTDPKZAOITFIL-OAHLLOKOSA-N 330.428 4.385 0 50 EIAA COCCCNCCCOc1ccc(C(C)(C)c2ccccc2)cc1 3462391 LXYASAOAWTZRBQ-UHFFFAOYSA-N 341.495 4.408 0 50 EIAA CCCSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 6702309 ZHRMDWYJGUIIJI-UHFFFAOYSA-N 340.492 4.151 0 50 EIAA CCOCCOc1ccccc1C(=O)Nc1cccc(Cl)c1C 9824893 VJTMSCPYKHGWQD-UHFFFAOYSA-N 333.815 4.316 0 50 EIAA O=C(CCc1ccncc1)N1CCC[C@H](CCc2ccccc2F)C1 11665428 FDFXISDOWJDFKR-GOSISDBHSA-N 340.442 4.025 0 50 EIAA Clc1ccc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)cc1 12430861 XZYAAXKBARVTDG-KRWDZBQOSA-N 338.842 4.088 0 50 EIAA O=C(Cc1noc(-c2cccc(Cl)c2)n1)Nc1ccccc1Cl 16579807 UFZANAKYTIAJGW-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA CCCCN(Cc1ccncc1)C(=O)c1cc(-c2ccccc2)on1 77436435 YGMFGGKKDKROFS-UHFFFAOYSA-N 335.407 4.179 0 50 EIAA Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCc4ccccc43)[nH]n2)o1 82156120 RTELOPQFACSIDA-SFHVURJKSA-N 335.407 4.128 0 50 EIAA Cc1cc(Cl)ccc1C(=O)N1CCC(c2nccn2C(C)C)CC1 91663880 ISXSLDAZZKCUCE-UHFFFAOYSA-N 345.874 4.446 0 50 EIAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN(c2ccc(Cl)cc2)CC1 100416425 QGORDYULERWZAX-QFBILLFUSA-N 330.903 4.454 0 50 EIAA Clc1ccc(N2CCC(c3nc(-c4ccsc4)no3)CC2)nc1 109475504 KDTYVRKKOUJEOO-UHFFFAOYSA-N 346.843 4.231 0 50 EIAA O=C(Nc1ccc(O)c(Cl)c1)c1cnn(-c2cccc(Cl)c2)c1 111666045 VSNWTQVNRKJEKE-UHFFFAOYSA-N 348.189 4.137 0 50 EIAA CC[C@@H]1c2ccsc2CCN1C(=O)Nc1c(C)noc1C1CC1 155030216 BICRSRNMUQANME-CYBMUJFWSA-N 331.441 4.463 0 50 EIAA Cc1csc([C@H](NC(=O)Cc2csc(C(C)(C)C)n2)C2CC2)n1 173397762 NSPNJVVHLTWTHH-CQSZACIVSA-N 349.525 4.016 0 50 EIAA CC(C)(C)C[C@@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(F)(F)F 184661732 MQDNHIOUCWYOGU-CHWSQXEVSA-N 346.397 4.013 0 50 EIAA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 239173895 OWIIOMAKHSFEFP-OMQSBVIBSA-N 345.442 4.233 0 50 EIAA Cc1cc(N2CC[C@@H](OCc3csc(C)n3)C2)c2ccccc2n1 377179899 PQJSLCMIROGBDE-MRXNPFEDSA-N 339.464 4.104 0 50 EIAA COc1cccc(C)c1NC(=O)N[C@@H](C)C1CCC(F)(F)CC1 847177080 LDCRQLHTCKKBAQ-LBPRGKRZSA-N 326.387 4.339 0 50 EIAA Cc1ccccc1-c1cnc(CN2CCC[C@@](O)(c3ccccc3)C2)o1 859586156 HRUILCMFIVBVJZ-QFIPXVFZSA-N 348.446 4.134 0 50 EIAA CC[C@@H](C)Oc1ccccc1CN1CCC(c2ccnc(O)c2)CC1 1772808526 SMXDAZVLVKJQFX-MRXNPFEDSA-N 340.467 4.344 0 50 EIAA COc1cccc2c1OCCN(C(=O)CC[C@@H](C)c1ccccc1)C2 1857533157 YTTYRPWPUGPQSS-MRXNPFEDSA-N 339.435 4.000 0 50 EIAA Cc1nc(-c2ccc([C@H](C)N3CCOCC3)cc2)c2sccc2n1 2100483186 XEYXWXRHMLLRIJ-ZDUSSCGKSA-N 339.464 4.060 0 50 EIAA O=c1ccc(-c2ccc(F)cc2)nn1C[C@H]1CCC[C@@H]1C(F)(F)F 2325772447 VJQWMXOEJFWENS-OCCSQVGLSA-N 340.320 4.028 0 50 EIAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(O)cc1 71941 IWGUVRGRVNTQIM-UHFFFAOYSA-N 336.391 4.478 0 50 EIAA CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 398774 CNRALNQYHMRPAB-UHFFFAOYSA-N 346.235 4.193 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(Cl)cc1 613941 MBYGCRAZAJAMOV-UHFFFAOYSA-N 346.814 4.096 0 50 EIAA CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(OC)c2)C1 2558462 BIUSQWHQAXSDMA-NSHDSACASA-N 330.453 4.106 0 50 EIAA COc1ccccc1CNC(=O)Cc1ccc(-c2ccccc2)cc1 3094206 RDHHIEJZQUWZMR-UHFFFAOYSA-N 331.415 4.221 0 50 EIAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2cccc(F)c2)cc1 4689639 KUDVRPHLPDRQDZ-KRWDZBQOSA-N 343.398 4.069 0 50 EIAA Cc1ccc(Cl)c(-n2nnc(C(=O)Nc3ccccc3C)c2C)c1 8022378 BXTXCVDNDSDYIH-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA Cc1c([C@H](C)NCc2ccccc2)cnn1-c1ccc(F)cc1F 12703823 GYDKQJNBZQMVSF-ZDUSSCGKSA-N 327.378 4.310 0 50 EIAA Cc1ccc(-c2nnc3n2N=C(c2c[nH]c4ccccc24)CS3)cc1 15017302 NCYHIGOAXOZJLN-UHFFFAOYSA-N 345.431 4.093 0 50 EIAA CCC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 18134835 QNNFAFUBOYAIDN-LJQANCHMSA-N 336.435 4.085 0 50 EIAA Cc1nn(-c2ccccc2)c2nc(-c3ccn(C)n3)cc(C(F)F)c12 20616122 RMONWRBYHGCRAT-UHFFFAOYSA-N 339.349 4.067 0 50 EIAA Cc1c[nH]c(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)c1 71575228 PSCKKPHFPFUGIG-CQSZACIVSA-N 332.394 4.086 0 50 EIAA CC(C)C[C@H](O)CNc1ncnc2sc(-c3ccccc3)cc12 170600306 NZJOXWNRLJPMIG-AWEZNQCLSA-N 327.453 4.177 0 50 EIAA CCOc1cccc(CN[C@@H]2COCc3ccccc32)c1OC(F)F 418103155 VVKHCNICTVYUEX-MRXNPFEDSA-N 349.377 4.048 0 50 EIAA C[C@H](c1ccc(-c2ccc(-c3nccn3C)nn2)cc1)N1CCCCC1 426379764 PICZOVYJLIEMIR-MRXNPFEDSA-N 347.466 4.091 0 50 EIAA Cc1nc(C)c([C@H](C)NC(=O)NCc2cc3c(s2)CCCC3)s1 1875253523 XIZLHZGJKKHNKZ-NSHDSACASA-N 349.525 4.261 0 50 EIAA ClC1(Cl)C[C@@H]1CCn1cc(-c2cccc3ccncc23)nn1 2325808569 BPTQYAHRBMECQR-LBPRGKRZSA-N 333.222 4.077 0 50 EIAA O=C(CF)N[C@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 41261 XBEIDLPEMRIGOJ-ZDUSSCGKSA-N 349.620 4.034 0 50 EIAA O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 316130 OWYMDVGYSQWXDJ-FOCLMDBBSA-N 348.446 4.401 0 50 EIAA Cc1cccc(-n2ncc3c(NCCC4=CCCCC4)ncnc32)c1 426476 JQBUSCASPGAGBD-UHFFFAOYSA-N 333.439 4.426 0 50 EIAA CCSc1nnc2c(n1)O[C@@H](c1ccccc1)Nc1ccccc1-2 439744 NRUPHKCFNJQUJV-INIZCTEOSA-N 336.420 4.154 0 50 EIAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccncc2)c2ccccc2)cc1 482461 CETSBWLJAFNWFN-HXUWFJFHSA-N 331.371 4.171 0 50 EIAA CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1 1000920 SNFZZURDWSQOIQ-UHFFFAOYSA-N 332.618 4.424 0 50 EIAA O=c1oc2ccccc2cc1-c1nnc(Nc2ccc(F)cc2)s1 1511548 ZIQQQMGPHIZYTP-UHFFFAOYSA-N 339.351 4.194 0 50 EIAA Cc1ccc(NC(=O)c2ccco2)c(NC(=O)Cc2cccs2)c1 2879948 WEXLHLICTNPAFO-UHFFFAOYSA-N 340.404 4.083 0 50 EIAA COc1cc(CNCc2cccnc2)ccc1OCc1cccs1 4413546 SXGSCRGKOQPVLR-UHFFFAOYSA-N 340.448 4.021 0 50 EIAA O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccco1 4840950 WELJEZHTVIJVNK-UHFFFAOYSA-N 331.327 4.305 0 50 EIAA CCOC(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 4978031 LWFQOCDKPRJZQE-GOSISDBHSA-N 339.435 4.254 0 50 EIAA C[C@H](CCc1ccc(O)cc1)NCc1ccc(Br)cc1 4985443 VENRHWCVGMCFJY-CYBMUJFWSA-N 334.257 4.266 0 50 EIAA COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)CC2=O 5015850 LLWQQZMFDHMPRV-LBPRGKRZSA-N 347.208 4.185 0 50 EIAA Cc1ccc2c(C)nc(N3CCC[C@@H](NC4CCCC4)CC3)nc2c1 12454482 NWQDTIHXYJQQLT-GOSISDBHSA-N 338.499 4.138 0 50 EIAA CCCSc1ccccc1NC(=O)N[C@@H](CC)c1ccnn1C 96180495 KCMAWYSMGGOIMD-ZDUSSCGKSA-N 332.473 4.195 0 50 EIAA CC[C@H](c1ccccn1)N(C)C(=O)c1nc(-c2ccccc2)[nH]c1C 97744975 CFKNUGAQGLCUFL-QGZVFWFLSA-N 334.423 4.003 0 50 EIAA Cc1cccc(NC(=O)N[C@@H](C)c2cccnc2)c1Br 120513807 OQYKYFNQALIHIL-NSHDSACASA-N 334.217 4.035 0 50 EIAA O=C(N[C@@H](c1ccccc1)c1ccncc1)C1CCC(F)(F)CC1 128987136 DPTRLSNIWPDEDE-KRWDZBQOSA-N 330.378 4.113 0 50 EIAA Cc1cc(NC(=O)c2csc(-c3ccoc3)n2)c(C)c(C)c1O 185752425 MBWHSORWPLZNPU-UHFFFAOYSA-N 328.393 4.286 0 50 EIAA O=C(NCc1ccc(Cl)cc1F)c1cccnc1SC(F)F 188659061 STIIDTNSELCOGX-UHFFFAOYSA-N 346.761 4.119 0 50 EIAA Cc1ccc(CN(C)C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)o1 194234654 OAYZGIHXWYHRCB-GFCCVEGCSA-N 335.473 4.245 0 50 EIAA O=C(Nc1c[nH]nc1-c1ccccc1)[C@H]1CCC[C@H](C(F)(F)F)C1 269399661 CAUCCKBDJSHWQO-STQMWFEESA-N 337.345 4.384 0 50 EIAA Cc1cc(NC(=O)NCCCC[C@H]2CCCO2)c(Cl)cc1F 299787962 UYRVMWOOEGVRDX-LBPRGKRZSA-N 328.815 4.258 0 50 EIAA C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccn1)[C@@H](C)c1ccccc1 434227887 LSYLERSYNKWTNZ-NEPJUHHUSA-N 337.345 4.414 0 50 EIAA CC(=O)c1cc(CN2CCC3(CC2)OCCc2ccsc23)cs1 2356159213 QXYKMRXOQPWCRJ-UHFFFAOYSA-N 347.505 4.076 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 35938 SCIMXCMXGZZKTB-UHFFFAOYSA-N 333.409 4.039 0 50 EIAA in-vitro COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 146788 QPBCDNYSOVVKFQ-KPKJPENVSA-N 325.408 4.479 0 50 EIAA COc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 267535 ATPSAYKXQMRVSH-MRXNPFEDSA-N 347.414 4.243 0 50 EIAA COc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1 435507 RTPKWRJHVLNSHT-IZZDOVSWSA-N 332.197 4.110 0 50 EIAA CCc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 456500 NTEKQCROYOUXKD-KPKJPENVSA-N 344.867 4.429 0 50 EIAA COc1ccccc1NC(=O)Nc1nnc(C2CCCCC2)s1 1300731 CYAFKCOXKLEBNJ-UHFFFAOYSA-N 332.429 4.238 0 50 EIAA COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3)n2)c1 3559309 MQUWXORDCVGCPL-UHFFFAOYSA-N 340.404 4.080 0 50 EIAA O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1 4375328 HLWWTYHJCPCGQV-UHFFFAOYSA-N 348.880 4.498 0 50 EIAA COc1cc2c(c(OC)c1)[C@H](c1cccc3ccccc13)CC(=O)N2 4489003 FNMSIFCKCNDAOH-KRWDZBQOSA-N 333.387 4.331 0 50 EIAA O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 6502388 REJVCPOFOFQMRI-UHFFFAOYSA-N 341.763 4.221 0 50 EIAA Cc1nn(C[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C 8714358 HSNFPIYHUDYDJG-VIFPVBQESA-N 340.254 4.390 0 50 EIAA COC(=O)c1c(NC(=S)Nc2cccc(F)c2)sc(C)c1C 17071004 UOBXJYBBKSMVOI-UHFFFAOYSA-N 338.429 4.100 0 50 EIAA CC(C)CN1C[C@@H](c2nc(-c3ccc4ccccc4c3)c[nH]2)CC1=O 23340406 PGHGOEYWASJVJE-SFHVURJKSA-N 333.435 4.202 0 50 EIAA c1cncc(CN(Cc2ccsc2)Cc2cccc3c2OCO3)c1 55341082 FLXRHFPJKGLSRL-UHFFFAOYSA-N 338.432 4.074 0 50 EIAA CN1C(=O)Cn2c(cc3ccccc32)-c2cc(Br)ccc21 71769327 HWHADBMAWGXHOG-UHFFFAOYSA-N 341.208 4.047 0 50 EIAA CC[C@@H](C)N(Cc1ccccc1F)C(=O)c1cc(C(F)(F)F)n[nH]1 97243682 DQMWKYWIRCISGK-SNVBAGLBSA-N 343.324 4.009 0 50 EIAA O=C(Nc1ccn(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1F 119747674 GDDXAXMEPXKAIQ-UHFFFAOYSA-N 349.287 4.283 0 50 EIAA O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccnc1 122128586 OJMIITZOCLVGND-UHFFFAOYSA-N 332.407 4.177 0 50 EIAA O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@@H]1CCCC(F)(F)C1 225704560 HFVPZNUFAYODAL-KWCYVHTRSA-N 345.336 4.086 0 50 EIAA CSc1nnc(CN[C@H](C)c2ccc(SC(F)F)cc2)s1 253418237 XSTCXFIVOWSQFW-MRVPVSSYSA-N 347.481 4.426 0 50 EIAA CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CCCc3occc32)s1 266564955 WANAKTAPQIKANX-GXTWGEPZSA-N 347.484 4.387 0 50 EIAA CC[C@@H]1CN(Cc2ccc(OC)c(O)c2)Cc2ccc(Cl)cc2O1 299798539 SVVNNBFKKOGYBM-MRXNPFEDSA-N 347.842 4.227 0 50 EIAA CC(C)Oc1ccc([C@@H](C)NCc2nnc3ccccn23)cc1Cl 952962873 DMGPFWLTDFPIPY-CYBMUJFWSA-N 344.846 4.021 0 50 EIAA Clc1cccc(-c2nccc(Nc3cnn(-c4ccccn4)c3)n2)c1 1472703886 QDMSJHDEIZETOH-UHFFFAOYSA-N 348.797 4.121 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3c(OC)ccc4ccccc34)C[C@@H]21 1704339541 LKGDZPBYNWDSCC-PIPMEXSNSA-N 339.479 4.221 0 50 EIAA O=C(c1c(O)cccc1F)N1CCCCC[C@@H]1c1cccc(F)c1 1772710769 SBMYGGSALSXPPQ-MRXNPFEDSA-N 331.362 4.428 0 50 EIAA O=C(O)C[C@@H]1CC[C@H](NC(=O)c2csc(C3CCCCC3)c2)C1 1875338520 ABBBTFVFKSVMLZ-DOMZBBRYSA-N 335.469 4.169 0 50 EIAA Cc1cccc(OCCCOC(=O)c2cncnc2-c2ccccc2)c1 2325722493 SCIDRAKUYAONIW-UHFFFAOYSA-N 348.402 4.078 0 50 EIAA OCc1ccc(Cl)cc1NCc1c[nH]nc1-c1c(F)cccc1F 2325734859 OYLPOHRIYMQJSX-UHFFFAOYSA-N 349.768 4.113 0 50 EIAA COc1cc(-c2nc(-c3ccc(Cl)cc3)no2)cc(OC)c1OC 91478 YAHSJBLCNUAXAE-UHFFFAOYSA-N 346.770 4.083 0 50 EIAA CCc1nnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)s1 147116 GMKCSIJQRNMCNS-VOTSOKGWSA-N 328.224 4.059 0 50 EIAA COc1ccccc1/C=C/CN1CCN(c2ccc(Cl)cc2)CC1 216821 HIJMIDGMMRPGDS-GQCTYLIASA-N 342.870 4.184 0 50 EIAA O=C1c2ccccc2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 434791 ZPMCPNUPTWVKHJ-UHFFFAOYSA-N 340.338 4.295 0 50 EIAA CCOc1ccc(OCc2cccc(C(=O)N(CC)CC)c2)cc1 467800 ASYZTKCBDLULEQ-UHFFFAOYSA-N 327.424 4.146 0 50 EIAA O=C(NC(=S)Nc1ccccc1-c1ccccc1)c1ccccc1 619515 VPCKNCJBXDGMQV-UHFFFAOYSA-N 332.428 4.480 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccccc1C 1066464 PRFMSESZNLTJIV-CYBMUJFWSA-N 333.815 4.371 0 50 EIAA CCn1cc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cn1 2806637 DKGSXGGRLSIVDI-UHFFFAOYSA-N 348.450 4.134 0 50 EIAA Cc1cccc(CSc2nnc(NC(=O)c3cccs3)s2)c1 2871352 JIZFXVGRELTXRT-UHFFFAOYSA-N 347.490 4.453 0 50 EIAA COc1ccc(C(=O)n2nc(C)c(Sc3ccccc3)c2C)cc1 3893044 CYNPGUKVDKWVNP-UHFFFAOYSA-N 338.432 4.348 0 50 EIAA Cc1ccc([C@@](O)(c2ccccc2)c2nc3ccccc3n2C)cc1 4115298 YNVSRVMOTYBHLD-QFIPXVFZSA-N 328.415 4.166 0 50 EIAA CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1ccc(C)c2C 4488838 ISYQHBSGJSTZCP-INIZCTEOSA-N 325.408 4.185 0 50 EIAA C[P@@](=O)(O)O[C@@H](c1ccccc1)C(Cl)(Cl)C(F)(F)F 4951976 WNWCGGALCJSDCW-QMMMGPOBSA-N 337.061 4.296 0 50 EIAA CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1C 8587019 DHHHONGAUOAGCT-HXUWFJFHSA-N 333.435 4.076 0 50 EIAA CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 12380810 QRBBTQVVJVLDPR-CQSZACIVSA-N 348.402 4.204 0 50 EIAA CC(C)NC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 12382604 NQDZRONHLGSHAJ-UHFFFAOYSA-N 331.803 4.122 0 50 EIAA CC(C)c1noc([C@H](C)N[C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 65393888 LXCQIVKQRWYIIY-RYUDHWBXSA-N 341.377 4.494 0 50 EIAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(c2nnc(C3CCC3)o2)C1 95359978 SYLVJJGGZOUAEX-CQSZACIVSA-N 345.830 4.090 0 50 EIAA CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@]3(CC=CCC3)C2)c1C 170626898 UZAXXIHCJCNMLS-KKSFZXQISA-N 342.483 4.228 0 50 EIAA Cc1nc(CN(C)Cc2csc(-c3ccc(C(C)C)cc3)n2)no1 183707974 XTUKWDKSGSYMGJ-UHFFFAOYSA-N 342.468 4.257 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)Nc3c(C)cccc3F)C2)cc1 184476811 QCENWJQXSGUPET-OAHLLOKOSA-N 328.387 4.164 0 50 EIAA Cc1nc(=O)c(Cl)c(-c2cccc(OCc3ccccc3F)c2)[nH]1 216139671 PYEMEECZKNMQBU-UHFFFAOYSA-N 344.773 4.117 0 50 EIAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1nncs1 263588555 VRISPFBBCUIUHU-KRWDZBQOSA-N 348.431 4.111 0 50 EIAA CC(C)COc1ccccc1NC(=O)N(C)CC[C@H]1CCCCO1 299792231 FTSRQRAGNVXVIL-MRXNPFEDSA-N 334.460 4.144 0 50 EIAA Cc1cccnc1CNC(=O)NC1CCC(c2ccc(F)cc2)CC1 331505294 ZSFYWYZIZFZRJC-UHFFFAOYSA-N 341.430 4.055 0 50 EIAA CCN(C(=O)c1ccc2nccc(C)c2c1)[C@@H]1CCCc2cccnc21 367676763 ZEGZGOZVOFOMIF-HXUWFJFHSA-N 345.446 4.478 0 50 EIAA CC1(C)C[C@@H](c2nc(-c3ccc4c(c3)CCO4)no2)c2ccccc2O1 904685274 DLUBHQNTDIRUHU-MRXNPFEDSA-N 348.402 4.365 0 50 EIAA CC1(c2cc(NC(=O)N[C@H](c3ccccn3)C3CC3)no2)CCCC1 931132818 TXMFBFQBNJBUGC-KRWDZBQOSA-N 340.427 4.174 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)CCCOc2ccccc2)c(C)c1 952988289 NDEHTQZZYLKDMD-UHFFFAOYSA-N 340.423 4.141 0 50 EIAA c1ccc([C@H](CCNCc2ccc3c(c2)OCCO3)c2ccco2)cc1 952988299 NFUJXTXNMJMCBG-IBGZPJMESA-N 349.430 4.363 0 50 EIAA Nc1cc(Cl)ncc1CN1C[C@H](c2ccccc2)c2ccccc21 1875342092 XGIRTBPCEOWXQR-QGZVFWFLSA-N 335.838 4.469 0 50 EIAA CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 64198 SCFAVHBFZXFMBM-FMIVXFBMSA-N 329.783 4.169 0 50 EIAA COc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 79881 NLIUUSGAAIVMFJ-MRXNPFEDSA-N 333.387 4.331 0 50 EIAA O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccco1 90986 OHVUEZODLPIXQC-UHFFFAOYSA-N 344.750 4.137 0 50 EIAA COc1cc(C2(c3ccc(N)c(OC)c3)CCCCC2)ccc1N 217302 FDEGVVJIAUSFKX-UHFFFAOYSA-N 326.440 4.118 0 50 EIAA CSc1ccc([C@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 221971 XIRDQZVOWARVPD-ZIAGYGMSSA-N 328.466 4.208 0 50 EIAA COc1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 285669 GGNCXDZSPQUNOD-UHFFFAOYSA-N 328.375 4.444 0 50 EIAA CCOC(=O)c1ccc(NC(=O)N(CC)c2cccc(C)c2)cc1 399638 WOVHPHDATONNDM-UHFFFAOYSA-N 326.396 4.230 0 50 EIAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)C1 452288 UUPIJNVUGBXMOQ-MRVPVSSYSA-N 342.675 4.067 0 50 EIAA O=C(c1cnn(-c2ccc(F)cc2)c1)c1ccc2ccccc2c1O 1395038 VZKIPPMFEHDGPW-UHFFFAOYSA-N 332.334 4.101 0 50 EIAA Cc1occc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl 2532393 KZOAAJFQRCGRND-UHFFFAOYSA-N 329.208 4.022 0 50 EIAA CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2ccccc12 2748993 BKJRULZIDVPILP-UHFFFAOYSA-N 339.416 4.259 0 50 EIAA O[C@H]1CCCC[C@H]1C1(NC(=S)Nc2ccccc2)CCCCC1 4333698 PTBLMHUNNYYRFT-SJORKVTESA-N 332.513 4.227 0 50 EIAA Cc1c(Cl)cccc1NC(=O)N1CCN(C2CCCCC2)CC1 4748885 WZBIBCPXHOHVLA-UHFFFAOYSA-N 335.879 4.131 0 50 EIAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(Cl)c1 8160930 LZQCCCYCMFTPRF-QGZVFWFLSA-N 331.799 4.150 0 50 EIAA O=C(CC1=CCCCC1)N[C@@H]1CCCN(CCCc2ccccc2)C1 12197240 CIBLOQWCTKWSDL-OAQYLSRUSA-N 340.511 4.090 0 50 EIAA CC[C@H](C)CN1CCC2(CC1)C[C@H]2C(=O)Nc1ccc(SC)cc1 12200502 HZLYGAAAVCKYAP-YJBOKZPZSA-N 346.540 4.495 0 50 EIAA COc1cc(NC(=S)N[C@@H]2CCCc3ccccc32)cc(OC)c1 13823433 NFXXIEQZLPUQJP-GOSISDBHSA-N 342.464 4.068 0 50 EIAA Cc1cc2ccccc2n1CCC(=O)N(C)[C@H](C)c1nccs1 63848837 LNWPDADCEKKLNI-CQSZACIVSA-N 327.453 4.016 0 50 EIAA COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 64984935 WAAWTGNYKOKJBW-INIZCTEOSA-N 343.427 4.484 0 50 EIAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)CC(C)C)CCO2 67869301 RLJYYHFWZWNGIV-UHFFFAOYSA-N 339.435 4.135 0 50 EIAA CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccccc1C(F)(F)F 96723005 XOGNOVLZABFPOR-LBPRGKRZSA-N 330.350 4.128 0 50 EIAA CCC(CC)n1ncc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c1C 126717979 JGAXCUUJTLHUNX-CQSZACIVSA-N 341.455 4.289 0 50 EIAA Cn1nc(C2CCC2)cc1NC(=O)N(Cc1ccc(F)cc1)C1CC1 153753693 ZPURFKPFNADKSU-UHFFFAOYSA-N 342.418 4.023 0 50 EIAA Cc1cc([C@@H](C)NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(C)s1 182341571 VAZMTLURJLEGMO-WBMJQRKESA-N 332.473 4.086 0 50 EIAA Cc1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3c3cccnc3)o2)cc1 285146047 SXAOORLQOASHBV-PZJWPPBQSA-N 334.419 4.270 0 50 EIAA COc1ccc2cc(CN[C@@H](C)c3cc4n(n3)CCCC4)ccc2c1 842827121 PFOKXPDDUCMVQI-HNNXBMFYSA-N 335.451 4.232 0 50 EIAA COc1ccc2[nH]c(CNCc3ccc([C@H]4CCCCO4)o3)cc2c1 952966356 VMEWXKLOIYRRMD-LJQANCHMSA-N 340.423 4.301 0 50 EIAA CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc(F)c(Cl)c2)c1 952969249 PYWFPBNHTXGNFW-UHFFFAOYSA-N 348.805 4.004 0 50 EIAA CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)NCC2=CCCCC2)C1 1340162140 CUWOZVWBJMKXSW-QGZVFWFLSA-N 344.503 4.028 0 50 EIAA Cc1ccccc1[C@H](NC(=O)c1cccc([S@](C)(=N)=O)c1)C(C)C 1775992281 KWQJARVZFVQSFL-HOYKHHGWSA-N 344.480 4.158 0 50 EIAA CCC(CC)(CCO)CNC(=O)c1[nH]c2cc(C)cc(C)c2c1C 2325793507 XKOFMSCPWJABCZ-UHFFFAOYSA-N 330.472 4.012 0 50 EIAA Cc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c(C)n1 2325854035 LNNBNEHEJSLEBB-UHFFFAOYSA-N 345.251 4.114 0 50 EIAA Cc1cnc2ccccc2c1C(=O)NCc1ccc2ccccc2n1 2325870992 XXCCDNHEVKIDJO-UHFFFAOYSA-N 327.387 4.021 0 50 EIAA CC(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 60677 LVKMFLMMWQQZET-UHFFFAOYSA-N 344.414 4.164 0 50 EIAA O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccco1 127495 YKGKAAYLEKQWPL-UHFFFAOYSA-N 340.766 4.438 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)cc1)c1cc2ccccc2o1 454116 KJZHWEPXSXTTEC-UHFFFAOYSA-N 330.796 4.213 0 50 EIAA O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccco1 1277561 PQBQWBRTEOKIBX-UHFFFAOYSA-N 331.331 4.249 0 50 EIAA Cc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 2761044 OQKBRNKLPOUKHQ-UHFFFAOYSA-N 339.366 4.236 0 50 EIAA C[C@@H](NC(=O)CCc1ccccc1)c1ccc(Br)cc1 4868617 GYTZYMZDVPYUST-CYBMUJFWSA-N 332.241 4.259 0 50 EIAA O[C@]12CCCC[C@@H]1[C@@H](c1cccc(OCc3ccccc3)c1)NCC2 5683304 NXWLYGWIEVOKFF-VSKRKVRLSA-N 337.463 4.221 0 50 EIAA O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCCCC1 6700972 IBKDWRSVVXFYHU-UHFFFAOYSA-N 336.435 4.135 0 50 EIAA CCN(CC)CCNC(=O)c1cc2c(s1)-c1ccccc1SC2 6751973 QZWDDESMBGPGEG-UHFFFAOYSA-N 346.521 4.092 0 50 EIAA Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 12138312 SXILZDSVIOQZOK-UHFFFAOYSA-N 336.435 4.264 0 50 EIAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C2CCOCC2)C1 12303494 LITNMXPYSJKYTE-GOSISDBHSA-N 349.474 4.012 0 50 EIAA CC[C@@H](C)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 12864753 VIWMHGXDQLBZBT-OAHLLOKOSA-N 344.499 4.423 0 50 EIAA CC(C)C(=O)N1CCC(n2c(C3CCC3)nc3cc(F)ccc32)CC1 15069019 DMHXWIHRHNZLFN-UHFFFAOYSA-N 343.446 4.262 0 50 EIAA CC[C@@H](C)N(Cc1ccncc1)C(=O)c1ccccc1OC(F)F 55244146 MUYGIMHQUCWLEL-CYBMUJFWSA-N 334.366 4.124 0 50 EIAA CC(C)(O)CCc1cccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1 72458326 BNVFFAKBMYUVCE-PKOBYXMFSA-N 329.484 4.042 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](COc3ccccc3C)C2)c(F)c1 77378421 YZNBGYVMTDCELK-KRWDZBQOSA-N 341.426 4.374 0 50 EIAA Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1CCN1CCCC1 82106814 LEZYGMUPRHFGPW-QGZVFWFLSA-N 334.891 4.129 0 50 EIAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cn3ccccc3n2)C1 92038893 WQQNHAWZCZMFDB-HXUWFJFHSA-N 325.456 4.209 0 50 EIAA Cc1ccccc1OCCCN(C)CCCOc1ccccc1C 96026736 KQANGXDFZNJCQD-UHFFFAOYSA-N 327.468 4.473 0 50 EIAA O=C(O)[C@H](Cc1ccccc1)NCc1cccc(Oc2ccccc2)c1 170612750 GDEYOOGMSBDULQ-NRFANRHFSA-N 347.414 4.264 0 50 EIAA Clc1cccc(CSc2nnc(-c3cccnc3)n2C2CC2)n1 170644067 VJEYIFKJSJCCCS-UHFFFAOYSA-N 343.843 4.016 0 50 EIAA CCN(Cc1noc(C2CC2)n1)Cc1nc(-c2ccccc2)cs1 823086185 QFFRUYPRHLWGQI-UHFFFAOYSA-N 340.452 4.093 0 50 EIAA CC(=O)N1CCC[C@H](CN[C@@H](C)C[C@@H](C)SC2CCCCC2)C1 888096077 JJLFRFWQGVJMRM-LZLYRXPVSA-N 340.577 4.068 0 50 EIAA Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)nn1 1460402989 HHAIYLPTILCSFQ-QGZVFWFLSA-N 331.419 4.189 0 50 EIAA Cc1ccc(S(=O)(=O)c2nc(C)sc2Oc2ccccc2)cc1 1857800340 CMVOMIWIGCUCOZ-UHFFFAOYSA-N 345.445 4.385 0 50 EIAA CCc1ccc2ccccc2c1Cn1nc(CO)c(C)c1C(F)(F)F 1875322677 ANXLHYIUUPQYRV-UHFFFAOYSA-N 348.368 4.467 0 50 EIAA CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 64400 BEZPESQLRYMCPE-UHFFFAOYSA-N 335.450 4.117 0 50 EIAA C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@@H](C)O1 397254 LLZDCBIOKUESQB-OCAPTIKFSA-N 337.634 4.288 0 50 EIAA O=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 445488 YPXNXBBOBLTDCL-UHFFFAOYSA-N 327.181 4.114 0 50 EIAA biogenic COc1cc(OC)cc(-c2nnc(SCc3ccccc3)o2)c1 582667 AEWHWKPGZKWULH-UHFFFAOYSA-N 328.393 4.046 0 50 EIAA CCOC(=O)c1cnc2c(OC)cccc2c1Oc1ccc(F)cc1 1392831 WRKULZQRIRMLKF-UHFFFAOYSA-N 341.338 4.352 0 50 EIAA Cc1c(S(=O)(=O)c2ccccc2)c(N)n(C2CCCCC2)c1C 4038051 TTWVMMUCFFDVBN-UHFFFAOYSA-N 332.469 4.025 0 50 EIAA COc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 4542821 MDNULXFZTNAMQK-UHFFFAOYSA-N 340.206 4.328 0 50 EIAA Cc1ccc(C)c(CNC(=O)c2ccc3c(c2)nc2n3CC[C@@H](C)C2)c1 8614458 QSTRDRXGJHZKPI-OAHLLOKOSA-N 347.462 4.165 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Nc1ccccc1OC[C@H]1CCCO1 10156013 AYUUEDYHCMOMAV-MRXNPFEDSA-N 345.826 4.079 0 50 EIAA Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCCc3ccccc32)no1 12521741 KSEXDSJYVSEVGF-HXUWFJFHSA-N 347.418 4.116 0 50 EIAA in-vitro Cc1cc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2[nH]1 31721941 BAMZQEIJYUXQNI-UHFFFAOYSA-N 338.791 4.070 0 50 EIAA O=C(c1cccc(O)c1)N1CCC[C@H](CCc2c(F)cccc2F)C1 71751624 APJWRSZXGMXRFI-CQSZACIVSA-N 345.389 4.155 0 50 EIAA CC(C)n1ccnc1[C@H]1CCCN(Cc2ccccc2-n2cccn2)C1 95363194 LRXHMWXUYBKGDA-IBGZPJMESA-N 349.482 4.029 0 50 EIAA CC[C@@H](NC(=O)Nc1cccc2nsnc12)c1nc(C)c(C)s1 96150890 BWTVXQRGSNEZIG-SNVBAGLBSA-N 347.469 4.037 0 50 EIAA O=C(N[C@H]1CCCOCC1)N(Cc1ccccc1)C1CCCCC1 181813602 IMDKUEUNCILODR-SFHVURJKSA-N 330.472 4.100 0 50 EIAA Cc1cnccc1CNC(=O)N(Cc1ccoc1)C1CCCCC1 188304236 KOMWYVKFXBIMRE-UHFFFAOYSA-N 327.428 4.028 0 50 EIAA CO[C@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1ccccc1 193512560 XJHDTARVZRIJRH-SFHVURJKSA-N 338.432 4.064 0 50 EIAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)o1 239309021 HDOHYFBYRAKYJQ-PXNSSMCTSA-N 331.375 4.225 0 50 EIAA CCC(CC)n1nc(C)cc1C(=O)N1CC[C@@H]1c1ccccc1F 252549297 RCSXPGOHDAZSQO-QGZVFWFLSA-N 329.419 4.279 0 50 EIAA CC(C)c1cccc2c1CCN(C(=O)Nc1ccn(C(C)C)n1)C2 280751110 MPNDTGNHTPJUHB-UHFFFAOYSA-N 326.444 4.178 0 50 EIAA Cc1ncc(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c(C2CC2)n1 366956167 SWEGAUJHROZBJD-KSSFIOAISA-N 335.451 4.071 0 50 EIAA CC(C)c1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)nn1 534590797 KPUZUWLVYQQBSY-UHFFFAOYSA-N 345.393 4.138 0 50 EIAA CCC[C@@H](NC(=O)N1CC(Oc2ccc(F)cc2)C1)c1cccs1 584892656 AGNZAHIZVGFKEC-MRXNPFEDSA-N 348.443 4.201 0 50 EIAA Cc1ccc(CN(Cc2ccco2)c2ncc(C(=O)O)s2)s1 1875324201 LWWRANOXVJNHCF-UHFFFAOYSA-N 334.422 4.011 0 50 EIAA CC1(C)Cc2nc[nH]c2[C@@H](NCc2ccc(Oc3ccccc3)nc2)C1 2325803593 PTYFGQLOZWYZAD-KRWDZBQOSA-N 348.450 4.400 0 50 EIAA CC[C@H](C)Nc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 106273 RMSDKVXUYOFYGE-JTQLQIEISA-N 342.468 4.301 0 50 EIAA COC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 227529 QQWJREJKQYXAFQ-UHFFFAOYSA-N 347.411 4.195 0 50 EIAA Cc1cc(=O)oc2cc(OCc3ccccc3Br)ccc12 306557 DSAZECFZNTVVBH-UHFFFAOYSA-N 345.192 4.443 0 50 EIAA COc1ccc(/C=C/C(=O)NCc2ccc(C(C)C)cc2)cc1OC 311721 BSFPDODSYYOVJR-XYOKQWHBSA-N 339.435 4.157 0 50 EIAA Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3cccnc3)c2c1 527681 YOCSGQCZPDZZRG-UHFFFAOYSA-N 340.386 4.253 0 50 EIAA CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 588416 FWUNORGOHJNFHH-AWEZNQCLSA-N 325.408 4.420 0 50 EIAA O=C(OCc1ccccc1F)c1ccc2c(c1)-c1ccccc1C2=O 1075186 QAKLIUVNZBVXFI-UHFFFAOYSA-N 332.330 4.394 0 50 EIAA Sc1nnc(-c2ccc3ccccc3n2)n1-c1ccc(Cl)cc1 1263726 NEUZYMNJUNTSIF-UHFFFAOYSA-N 338.823 4.425 0 50 EIAA aggregator CC(C)(C)Nc1c(-c2ccncc2)nc2ccc(Br)cn12 1304704 ATRDXJAKYCEFGZ-UHFFFAOYSA-N 345.244 4.369 0 50 EIAA O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 9541234 NHVRNNZJIYRAGJ-OAQYLSRUSA-N 341.414 4.011 0 50 EIAA CC[C@@H](C)CN1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc(SC)cc1 12200480 HZLYGAAAVCKYAP-CRAIPNDOSA-N 346.540 4.495 0 50 EIAA COCC[C@@H]1CCCCN1Cc1nc(-c2ccccc2OC)oc1C 15064500 DDIHINILDRXDRK-INIZCTEOSA-N 344.455 4.050 0 50 EIAA O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H]1c1cccc(F)c1 21791446 XHGFJWDJINQRMV-GOSISDBHSA-N 336.366 4.458 0 50 EIAA CC(C)c1csc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)n1 55182503 ZRZOPZUKDHLDBJ-MRXNPFEDSA-N 333.476 4.482 0 50 EIAA Cc1ccc(N[C@@](C)(C(=O)NCc2ccccn2)c2ccccc2)cc1 55226210 ZRQPYCYOKNTTIC-JOCHJYFZSA-N 345.446 4.034 0 50 EIAA O=C(Cc1cnc2ccccc2c1)N1CCC[C@@H]1Cc1ccccc1 129142080 DOUWUFVQUAOHSF-HXUWFJFHSA-N 330.431 4.011 0 50 EIAA Cc1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)N(C)C(C)C 193392598 KMVCDGNQXLJOND-UHFFFAOYSA-N 344.842 4.381 0 50 EIAA Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc(F)nc2F)o1 253424334 DSTSHVRDESFTHN-MFKMUULPSA-N 335.354 4.266 0 50 EIAA Cc1cccnc1[C@H]1CCC[C@@H](Nc2cccc(-c3nncn3C)c2)C1 281650315 PQGSUWHKFZALIF-FUHWJXTLSA-N 347.466 4.324 0 50 EIAA CC(C)c1ccc(CC2CCN(C(=O)c3cccc(O)n3)CC2)cc1 283712521 WOBXEHCAYMFJEW-UHFFFAOYSA-N 338.451 4.006 0 50 EIAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)NCc1cc2ccccc2o1 299791557 GPZYTSUBCBJGJB-ZDUSSCGKSA-N 338.411 4.230 0 50 EIAA C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)C[C@@H]1CCOC1 366519948 ZLFUJKXXHATKGQ-STSQHVNTSA-N 349.474 4.018 0 50 EIAA Cc1cc2cc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc2o1 828264948 RCQKSOAJRBMWBT-UHFFFAOYSA-N 348.402 4.429 0 50 EIAA COc1ccc2cc(CN[C@H](C)c3cc4n(n3)CCCC4)ccc2c1 842827122 PFOKXPDDUCMVQI-OAHLLOKOSA-N 335.451 4.232 0 50 EIAA COCc1ccc([C@H]2CCCN2c2ccc(-c3ccncc3)cn2)o1 893215567 IPTBHUVPZMWHQF-GOSISDBHSA-N 335.407 4.225 0 50 EIAA Cn1cnc2ccc(-n3ccnc3-c3ccc([C@H]4CCCCO4)o3)cc21 1772812933 SOTKUYOIAFBFRS-QGZVFWFLSA-N 348.406 4.261 0 50 EIAA CC[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)cc1Cl 452394 KOBHQSPHTPFPTQ-NSHDSACASA-N 336.284 4.255 0 50 EIAA Cc1cc(-c2ccccc2)nc2cc(C(=O)N3[C@@H](C)CCC[C@@H]3C)nn12 519953 GSTQYWKPVKSOKS-GJZGRUSLSA-N 348.450 4.108 0 50 EIAA CCCCCC(=O)Nc1ccc(I)cc1CC 1846312 CGQXLVHVNFGBRJ-UHFFFAOYSA-N 345.224 4.372 0 50 EIAA Cc1ccccc1NS(=O)(=O)CCCCC(Cl)(Cl)Cl 2697185 USJLZZYFUVLXKA-UHFFFAOYSA-N 344.691 4.277 0 50 EIAA FC(F)(F)[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2ccnn21 2766707 CMGLKEOAMCPSQK-QWRGUYRKSA-N 346.150 4.306 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 2817701 KVKNEPHNDRRFMN-JKSUJKDBSA-N 348.229 4.415 0 50 EIAA Cc1cc(C)cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 3833364 LFCKNGGSTRZVNU-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA CNC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 8723020 QRWRWRAPQYZNGA-UHFFFAOYSA-N 344.823 4.167 0 50 EIAA COc1ccc(OC)c2c1[C@H](c1cccc(N)c1)O[C@H]1CCCC[C@H]21 16652240 BVMLGIDRODFNIZ-QYWGDWMGSA-N 339.435 4.432 0 50 EIAA CSc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19360167 KDKNOYWLNQHKDG-UHFFFAOYSA-N 346.927 4.380 0 50 EIAA COc1ccc(F)c(-c2nc3c(cnn3[C@H](C)C3CC3)[nH]2)c1Cl 20205012 AVPPCCGPWALRDD-MRVPVSSYSA-N 334.782 4.199 0 50 EIAA COc1cc(CN[C@@H](C)CC(C)(C)c2ccc(C)o2)cc(OC)c1 22077587 NDDGNRPPHSAHAL-AWEZNQCLSA-N 331.456 4.451 0 50 EIAA CCC1=NO[C@@H](Cn2ccc(-c3cccc(-c4nccs4)c3)n2)C1 23251717 SWSPGXWBAYPYDQ-MRXNPFEDSA-N 338.436 4.229 0 50 EIAA C[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 55244872 YXXZBIBMCBSIBB-HNNXBMFYSA-N 335.382 4.019 0 50 EIAA CN1CCC(Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 65364397 ZTOIPRUGPOFERQ-UHFFFAOYSA-N 344.842 4.065 0 50 EIAA O=C1C[C@@H](Cn2cnc(-c3ccccc3)c2C2CC2)CN1C1CCCC1 65383939 QSNVGDRHOGQRBR-INIZCTEOSA-N 349.478 4.219 0 50 EIAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]3c3ccco3)cc2)n1 72429776 FFYAMKGJPOFFOQ-LJQANCHMSA-N 349.434 4.119 0 50 EIAA CCCc1nc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)cs1 91526230 KECKGJQEFCKYPL-GFCCVEGCSA-N 334.872 4.379 0 50 EIAA Cc1ccc(C2(C(=O)N[C@@H](C)c3cc(C)oc3C)CCOCC2)cc1 110254110 SCQLPBNSTXUEGH-INIZCTEOSA-N 341.451 4.130 0 50 EIAA Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnc2snc(C)c2c1 153522995 KOBAAJQCRAYPHK-UHFFFAOYSA-N 341.436 4.389 0 50 EIAA O=c1[nH]c2c(s1)[C@H](c1ccc(F)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 239433027 XCRBMTDUYFRNSW-ZMQVJYHMSA-N 333.453 4.228 0 50 EIAA Cc1cc2ncn([C@@H](C)c3nc(-c4cnccn4)cs3)c2cc1C 253416522 NKRJZJJMFGGHGV-ZDUSSCGKSA-N 335.436 4.176 0 50 EIAA C[C@H](C(=O)Nc1nc2cccnc2n1C)c1c(Cl)cccc1Cl 673078209 ZPQRBHGJNCBCDE-VIFPVBQESA-N 349.221 4.017 0 50 EIAA COCc1nccc(N2CCCC[C@@H]2c2nc(C(C)(C)C)cs2)n1 892193097 USAKPQIBUHZKSK-CYBMUJFWSA-N 346.500 4.109 0 50 EIAA CC(C)c1ncsc1NC(=O)N1CCC[C@H]1c1ccc(O)cc1 931669203 UNIDQEOSVRCXBE-AWEZNQCLSA-N 331.441 4.341 0 50 EIAA FC(F)(F)c1ccnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 1318959905 HIONIBLTIPKNPY-LBPRGKRZSA-N 346.356 4.361 0 50 EIAA COc1ccc(-c2ccc(-c3nccn3C[C@@H](C)OC)cc2)cc1F 2356156051 TVVRQQYUJFMMJZ-CQSZACIVSA-N 340.398 4.400 0 50 EIAA CN(C)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 90766 ODIPDNKSGGZOKP-UHFFFAOYSA-N 327.409 4.031 0 50 EIAA Cc1cc(OC(=O)C2CCCCC2)c2c3c(c(=O)oc2c1)CCCC3 91059 AKLSZLKCQCRAKP-UHFFFAOYSA-N 340.419 4.466 0 50 EIAA COc1cccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)c1 133521 QMBFWPDODKWLHP-UHFFFAOYSA-N 327.424 4.319 0 50 EIAA O=C(Nc1nc(-c2ccccc2)cs1)c1coc2ccccc2c1=O 469132 LXJXUOZKBQWHLJ-UHFFFAOYSA-N 348.383 4.169 0 50 EIAA CCC(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 557863 XGARKXCHCGEJKA-UHFFFAOYSA-N 341.461 4.186 0 50 EIAA COc1ccc([C@@H](NC(=O)c2cccc(OC)c2)c2ccccc2)cc1 620123 UIGIQWMSZFKUKI-NRFANRHFSA-N 347.414 4.223 0 50 EIAA O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)on1 815120 VAICQDPUQLXITQ-UHFFFAOYSA-N 334.162 4.296 0 50 EIAA CC(C)(C)SCCNC(=O)CSCc1ccccc1Cl 2993286 XQHQOQQNIQCIPD-UHFFFAOYSA-N 331.934 4.221 0 50 EIAA C[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN12 4854282 PGSOREYYNHHTPA-ZANVPECISA-N 349.253 4.400 0 50 EIAA Cc1ccc(C)c(NC(=O)[C@H](CC(=O)O)[C@@H](C)c2ccccc2)c1 4977234 BEZCBONOOWRFHY-DOTOQJQBSA-N 325.408 4.137 0 50 EIAA CCN(CC)C(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 6593997 ZKHPHYVZMGROLI-UHFFFAOYSA-N 331.419 4.293 0 50 EIAA Cc1csc(NC(=O)CSc2cc(C)c3ccccc3n2)n1 6784466 QTORGKNSMCXCDQ-UHFFFAOYSA-N 329.450 4.039 0 50 EIAA CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 9053501 WAHDXTKESGKDLB-UHFFFAOYSA-N 330.815 4.074 0 50 EIAA O=C(CCc1ccncc1)N1CCC[C@@H](CCc2ccccc2F)C1 11665427 FDFXISDOWJDFKR-SFHVURJKSA-N 340.442 4.025 0 50 EIAA CCCCC/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)CCCC(=O)O 12495894 GFNYAPAJUNPMGH-SWFISBABSA-N 338.488 4.382 0 50 EIAA endogenous,in-man COc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 12584828 NAPKOFMVFHYAKB-AWEZNQCLSA-N 339.414 4.179 0 50 EIAA Cc1ccccc1CN1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 12761755 LDFGEXFIRVWMMU-NRFANRHFSA-N 343.898 4.466 0 50 EIAA O=C(CCC1CCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 16603481 GAHMMAYFGNAOQX-UHFFFAOYSA-N 328.456 4.222 0 50 EIAA Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1Cl 32912982 WYCIUEYBYRSOIT-UHFFFAOYSA-N 325.799 4.146 0 50 EIAA CCc1c(C(=O)N(Cc2cccs2)[C@@H](CC)CO)csc1C 55252529 HTMFRJFDVKDKFH-ZDUSSCGKSA-N 337.510 4.094 0 50 EIAA CC[C@H](C)NC1CCN(c2cccc(-c3csc(C)n3)c2)CC1 63834404 RYRLPWKUYRVJJO-AWEZNQCLSA-N 329.513 4.475 0 50 EIAA CCCN1CC[C@]2(CCCN(C(=O)c3cc4ccccc4s3)C2)C1 67804334 KTVQIMMWKZKOJL-HXUWFJFHSA-N 342.508 4.239 0 50 EIAA O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72433879 JIVBCEOVCXDCNI-LJQANCHMSA-N 349.409 4.168 0 50 EIAA FC(F)(F)c1cccc([C@@H](c2ccccc2)N2CCCNCC2)c1 95470214 PLUYUVZBMJJFKL-GOSISDBHSA-N 334.385 4.090 0 50 EIAA CC(C)c1cc(C(=O)N2CCC(c3ccn[nH]3)CC2)c2ccccc2n1 125153003 BVOCORVLZSXHRZ-UHFFFAOYSA-N 348.450 4.101 0 50 EIAA Cc1ccc(N2C[C@H](c3noc(-c4cc(C)ccc4C)n3)CC2=O)cc1 169755367 CNOFRGQPKLFTSH-MRXNPFEDSA-N 347.418 4.182 0 50 EIAA CC[C@@H](c1ccncc1)N(CC)C(=O)c1occc1Br 177434504 TVKJTMZUOBLMOG-ZDUSSCGKSA-N 337.217 4.051 0 50 EIAA Cc1nc(C(=O)N(Cc2ccccc2)Cc2nccs2)c(C)s1 216225134 UNMROBVONFSYMK-UHFFFAOYSA-N 343.477 4.059 0 50 EIAA CO[C@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1 240465948 GBQRYXNVUHHKSJ-OAQYLSRUSA-N 325.452 4.055 0 50 EIAA CC[C@@H]1CCCC[C@H]1Nc1cccc(C[S@](=O)C2CCOCC2)c1 253369968 KPYLRJIKRKUVRS-PWAGRJGVSA-N 349.540 4.495 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cnc(-c2cccs2)s1 263533620 XXTKDLWLVLBGCD-YUTCNCBUSA-N 348.493 4.089 0 50 EIAA C[C@@H]1CC[C@H](Nc2ccc3nc(C4CC4)oc3c2)[C@@H](n2cncn2)C1 285045722 IGILZVYQJRQFNL-PVUWLOKVSA-N 337.427 4.139 0 50 EIAA C[C@@H](C(=O)Nc1cccc2cnccc12)[C@@H]1OCCc2sccc21 295508965 USETZWGLZHRZTL-XIKOKIGWSA-N 338.432 4.185 0 50 EIAA COc1ccccc1/C=C/c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299747491 DEASHFLQTVFGEP-KBWBKQHASA-N 328.412 4.167 0 50 EIAA CCCC[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1cccnc1 299757329 LRZHKWSMXGYPLL-GOSISDBHSA-N 326.415 4.300 0 50 EIAA COc1cc(Br)ccc1Oc1ncnc2ccsc12 311428049 GKKGSYMAQLWPQL-UHFFFAOYSA-N 337.198 4.255 0 50 EIAA CC1(C)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@@H]1c1ccncc1 329492386 WCCTYZFYVGHAKQ-GOSISDBHSA-N 338.455 4.076 0 50 EIAA Cc1csc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 333849645 PCMYDJJSEKDJRF-AWEZNQCLSA-N 341.440 4.087 0 50 EIAA O=C(Nc1ccc(-c2cc[nH]n2)cc1)Nc1c[nH]nc1-c1ccccc1 352748193 JHAJEEQQPPCHFT-UHFFFAOYSA-N 344.378 4.111 0 50 EIAA CC(C)c1scnc1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 377473600 CEVCYTUHJSCLCQ-LLVKDONJSA-N 336.844 4.425 0 50 EIAA CC(C)c1cc(CNC(=O)N(C/C=C/c2ccccc2)C2CC2)on1 426544651 GQHUKDMHGRJUFA-RMKNXTFCSA-N 339.439 4.185 0 50 EIAA CC1(C)CCc2ccccc2[C@@H](NCc2cc(C(N)=O)cs2)C1 685042344 SIMFYZKNHNYTJA-KRWDZBQOSA-N 328.481 4.040 0 50 EIAA CC1=CC(C)(C)N2C(=O)/C(=C/Nc3ccccn3)c3cc(C)cc1c32 1740816375 BMRBUEHJGXOWTR-SFQUDFHCSA-N 331.419 4.385 0 50 EIAA Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CC[C@H]2CC[C@H]1C2 1875357986 DYUKJIZCXNJSKB-YCPHGPKFSA-N 343.858 4.143 0 50 EIAA O=C(O)C1(c2cc(F)cc(-c3cc(F)cc(OC(F)F)c3)c2)CC1 1875405676 LSWURUHXKYKGTM-UHFFFAOYSA-N 340.272 4.349 0 50 EIAA CCc1ccccc1OCCOCCOc1ccc(C)cc1OC 2985439 IPXHLWAHCQRKMO-UHFFFAOYSA-N 330.424 4.040 0 50 EIAA c1ccc(CCCN[C@@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 11816141 ZITKNBWJDNKWPD-HXUWFJFHSA-N 344.462 4.138 0 50 EIAA COc1cc(NCc2ccc(F)c(Br)c2)cc(OC)c1 19909701 BDMJDKOSKFWLPE-UHFFFAOYSA-N 340.192 4.218 0 50 EIAA Cn1cc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)noc3n2)cn1 20605286 HGGICXZHHIREKC-UHFFFAOYSA-N 344.296 4.309 0 50 EIAA Cc1nc2cc(-c3cccc(-c4ccn(CCCO)n4)c3)ccc2o1 20821591 CRXJVCXUNVBPLU-UHFFFAOYSA-N 333.391 4.049 0 50 EIAA Clc1cncc(Cl)c1CN1CCCC[C@@H]1CCn1cccn1 77407231 GGQKXUHQXMKCGM-CYBMUJFWSA-N 339.270 4.030 0 50 EIAA CCn1ccnc1[C@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 91620860 DBAUVXCWBQTZMD-AWEZNQCLSA-N 346.862 4.276 0 50 EIAA CCOc1ncccc1NC(=O)c1cncc(-c2ccc(C)cc2)c1 120881890 OKWFCSQPMDFSGN-UHFFFAOYSA-N 333.391 4.103 0 50 EIAA CN1CCN([C@@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 221529636 DXJSURSEJATFMU-GOSISDBHSA-N 346.883 4.130 0 50 EIAA CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2nc3ccccc3s2)C1 241466159 NVFGKXYPOQYVPS-PRBDWKGHSA-N 336.526 4.027 0 50 EIAA CN(C(=O)c1cccc(OCc2cccnc2)c1)c1ccccc1F 242106173 WHOIMQKSGHLKQV-UHFFFAOYSA-N 336.366 4.076 0 50 EIAA Cc1nc2ccccc2n1C1CCN(C(=O)CSC(C)(C)C)CC1 279887198 XXHZLMINRQMXMS-UHFFFAOYSA-N 345.512 4.040 0 50 EIAA Cc1nc2ccccc2nc1N[C@H](C)c1cccc(N2CCCC2=O)c1 301133066 XUAWASQBBSUDLQ-CQSZACIVSA-N 346.434 4.238 0 50 EIAA O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCc2cccc(Cl)c21 679468904 YJNLEZJNEGYDED-QGZVFWFLSA-N 341.838 4.437 0 50 EIAA CC1(C)CCC[C@H](OC(=O)c2ccc(Oc3ccccc3)cn2)C1=O 840546192 DLKMAMVFNXHEPT-KRWDZBQOSA-N 339.391 4.179 0 50 EIAA CCn1nc(C(=O)Nc2n[nH]c(C)c2-c2ccc(C)cc2)cc1C1CC1 899552294 SKVMBRIEMJQILQ-UHFFFAOYSA-N 349.438 4.040 0 50 EIAA Cc1cccc(C[C@H](C)NC2CCN(c3ccc(F)cc3C)CC2)n1 1506405148 CKNKVKURAMVJAI-KRWDZBQOSA-N 341.474 4.027 0 50 EIAA Cc1ccc(N2CCC(NCc3ncccc3C)CC2)cc1Cl 1506416013 CQZJUWPYQAFSOR-UHFFFAOYSA-N 329.875 4.110 0 50 EIAA c1cc2c(c(-n3ccnc3-c3ccc([C@@H]4CCCO4)s3)c1)CCO2 1772812549 MYAGKZMPNYBNOL-INIZCTEOSA-N 338.432 4.387 0 50 EIAA c1ccc(-c2nc(NCc3cc(C4CC4)no3)c3ccsc3n2)nc1 1875339683 UAKGGGIXPXDTBT-UHFFFAOYSA-N 349.419 4.231 0 50 EIAA CS[C@H]1C[C@@H](CNC(=O)Nc2cccc(-c3cccnc3)c2)C1 2325810455 LOXAHCNIMUBTAG-XFHMXUHZSA-N 327.453 4.012 0 50 EIAA COc1ccc(-c2cccc(C(=O)N3CCC[C@H]3C3(C)CC3)n2)cc1 2325875561 WLNHYKRBBJVLFF-IBGZPJMESA-N 336.435 4.162 0 50 EIAA CCOc1ccc2nc(NC(=O)[C@@H](C)c3ccccc3)sc2c1 476158 WANCPLBDXGLYJV-LBPRGKRZSA-N 326.421 4.437 0 50 EIAA Nc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccccc2)cs1 1384305 XZORJNLMDFHEHK-UHFFFAOYSA-N 336.395 4.384 0 50 EIAA CCCCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 1770687 XUPZEUYOJBLEME-LLVKDONJSA-N 339.457 4.398 0 50 EIAA COc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 1830098 UTHOAQNMUUCAAM-UHFFFAOYSA-N 328.375 4.444 0 50 EIAA O=S(=O)(Oc1ccc(Nc2ccccc2)cc1)c1ccccc1 3129772 QVQDAVNYWLYLOK-UHFFFAOYSA-N 325.389 4.198 0 50 EIAA Fc1ccccc1COc1ccc(Cl)cc1CNC[C@H]1CCCO1 4657498 KHYABVADLWBZLD-QGZVFWFLSA-N 349.833 4.327 0 50 EIAA COC(=O)c1ccc(CSc2nc(C)cc(-c3ccccc3)n2)o1 4837798 ZMBWLICTSRBSLG-UHFFFAOYSA-N 340.404 4.124 0 50 EIAA Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 5061191 PUVOKOOLZDHBAW-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA CC(=O)OCC[n+]1c(C)cc(-c2ccccc2)cc1-c1ccccc1 5378950 YFOXNFNDMZHXNT-UHFFFAOYSA-N 332.423 4.180 0 50 EIAA CCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CC)C2 5476975 YNQXUBMJZANRIO-JTQLQIEISA-N 325.430 4.008 0 50 EIAA CCCC(=O)Nc1ccc(NC(=O)COc2ccccc2Cl)cc1 9141840 AFINSOGGQRWWMV-UHFFFAOYSA-N 346.814 4.096 0 50 EIAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)on2)c1 13331298 XXSCXWMQMSMHTR-NSHDSACASA-N 336.819 4.340 0 50 EIAA O=C(c1ccccc1Oc1ccccc1)N1CCC2(CCCO2)CC1 71551696 JZJWINPVHGAOHG-UHFFFAOYSA-N 337.419 4.264 0 50 EIAA COc1ccc(-c2nccn2Cc2c(C)noc2C)c2ccccc12 77424732 SPLJDIQMMDHFES-UHFFFAOYSA-N 333.391 4.365 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCCN(c4ccccc4)CC3)oc2c1 91381948 JIXLJQZLUOKJBB-UHFFFAOYSA-N 348.446 4.402 0 50 EIAA CC[C@H](N[C@@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 163820256 GOWLBMWEZWPDJP-KKSFZXQISA-N 340.467 4.441 0 50 EIAA Cc1c(CSC(C)C)cccc1NC(=O)NCc1ccncc1 173876136 WHMZNUSPKRRMQQ-UHFFFAOYSA-N 329.469 4.353 0 50 EIAA O=C(c1csc(C2CC2)n1)N1CCCSc2ccc(F)cc21 190427476 ZYCUDZGEOMLUQS-UHFFFAOYSA-N 334.441 4.302 0 50 EIAA c1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc(OCc2cscn2)c1 194160506 CREWLHZUAQZBJT-KZNAEPCWSA-N 342.464 4.092 0 50 EIAA C[C@H](c1ccncc1)N(C)C(=O)c1ccc(N2CCCC2)c(Cl)c1 219516751 LTSYXBVZBINXEF-CQSZACIVSA-N 343.858 4.168 0 50 EIAA O=C(NCC[C@@H]1CCOC1)c1cccc(-c2cncc3ccccc23)c1 299755814 DDSCTCQAEBQXPU-MRXNPFEDSA-N 346.430 4.058 0 50 EIAA Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3cccc4cc(C)oc34)C2)n1 299791059 CWDNCWWIBICRAC-MRXNPFEDSA-N 338.411 4.033 0 50 EIAA Cc1nc(CNc2cc(C(F)(F)F)cc(Cl)n2)ccc1[C@H](C)O 408522078 COHQOVUBHJSVJP-VIFPVBQESA-N 345.752 4.123 0 50 EIAA COCc1nc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)cs1 449448148 FJYCQKJSGATFET-MRXNPFEDSA-N 340.851 4.323 0 50 EIAA C[C@H](NC[C@H](CCO)c1ccccc1)c1cnc(-c2ccccc2)o1 888099071 VAYSPOUIZJESGA-LPHOPBHVSA-N 336.435 4.158 0 50 EIAA CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 1192755967 GEQGZZNYTWMENV-UHFFFAOYSA-N 339.844 4.020 0 50 EIAA COCc1nnc(-c2cccc(C(=O)Nc3cccc(C4CC4)c3)c2)o1 1857527857 KPOFAPALLCTLIL-UHFFFAOYSA-N 349.390 4.013 0 50 EIAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CC[C@H]1c1ccc(F)cc1 1857740407 HZKBMTHSNZTZLH-KRWDZBQOSA-N 335.382 4.111 0 50 EIAA Cc1nc(-c2noc(CC3CC(c4ccccc4)C3)n2)ncc1Cl 1875330500 ZYPRDNRCXWTKQZ-UHFFFAOYSA-N 340.814 4.225 0 50 EIAA Cc1cccc(C(=O)N(C(=O)c2cccc(C)c2)c2ncccc2C)c1 209624 MQARHDHGDALSGB-UHFFFAOYSA-N 344.414 4.494 0 50 EIAA COc1ccc(CNc2ccc(Br)c(C)c2)cc1OC 263257 HFLZPRUWNHWUQR-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA Cc1ccccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 408272 LJWMAABKXDMCJU-UHFFFAOYSA-N 345.899 4.167 0 50 EIAA CCOc1cc(C=O)cc(Cl)c1OC(=O)c1cccc(Cl)c1 566021 BYUDCWNAHLOHOO-UHFFFAOYSA-N 339.174 4.424 0 50 EIAA S=C(NCc1ccco1)Nc1ccc(Br)cc1Cl 621314 QOWUFLNOKFEYEB-UHFFFAOYSA-N 345.649 4.182 0 50 EIAA CC(=O)c1ccc(N2CCN([C@H](C)CCc3ccccc3)CC2)cc1 5394055 FAUYGUPXHYXWDI-GOSISDBHSA-N 336.479 4.033 0 50 EIAA O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1F 6697715 LUJJEZMEJRYTSQ-UHFFFAOYSA-N 340.398 4.141 0 50 EIAA CCOC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(C)n2)cc1 8614901 FFAWDDGFCIXZTH-UHFFFAOYSA-N 333.391 4.372 0 50 EIAA Cc1oc(-c2ccoc2)nc1CN1CCCC[C@@H]1c1nccs1 12315364 GOGPGBUBUDMXQK-OAHLLOKOSA-N 329.425 4.427 0 50 EIAA CC[C@@H](C)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1 18188966 KKKPEDNKFYNOQP-GFCCVEGCSA-N 340.452 4.202 0 50 EIAA C[C@@H](NCc1cccc(OCc2ccccc2)c1)[C@H](O)c1ccccc1 19871861 PYOXLNRAYGCQDI-JPYJTQIMSA-N 347.458 4.477 0 50 EIAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1c(F)cccc1Cl 46501371 WOEYIVVAWKCOJP-CQSZACIVSA-N 349.789 4.289 0 50 EIAA Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4cc[nH]c4c3)c12 61721962 AXCQZAPSQTWJCF-UHFFFAOYSA-N 347.422 4.134 0 50 EIAA c1cc(C2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)ccn1 65468661 YZXLUSRXQGDWGN-SFHVURJKSA-N 328.481 4.374 0 50 EIAA CC(C)CCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67690453 FGAWFGJVXKHOTR-UHFFFAOYSA-N 334.366 4.205 0 50 EIAA Cc1ccc(CN(C(=O)c2cccc(-n3cccn3)c2)C2CC2)s1 77439189 OIPDEXBRHXWNFN-UHFFFAOYSA-N 337.448 4.047 0 50 EIAA CSc1ccc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)cc1 95378560 LLOVULBLQHXEJO-INIZCTEOSA-N 343.496 4.206 0 50 EIAA Fc1cccc(Cl)c1-c1nc2c(Br)nccc2[nH]1 95829764 CXHFMWJKXXKALI-UHFFFAOYSA-N 326.556 4.180 0 50 EIAA COc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@@H]3C)c(C)o2)cc1 118186928 KUIVCBRDRBPVCD-ZDUSSCGKSA-N 348.402 4.250 0 50 EIAA CC(C)n1nccc1NC(=O)Nc1ccc(Cc2ccncc2)cc1 148063397 SLZSDEITVOHSES-UHFFFAOYSA-N 335.411 4.094 0 50 EIAA Cc1cccc(O)c1NC(=O)c1cc(Cl)ccc1Br 183067058 HNHUXJMJPLCQDX-UHFFFAOYSA-N 340.604 4.369 0 50 EIAA CCCOc1ccc(CN[C@H]2CCCc3c(OC)cccc32)cn1 194887542 UROYQPJKWYMQRW-SFHVURJKSA-N 326.440 4.046 0 50 EIAA CC(C)c1noc([C@@H](C)N[C@@H](CN(C)Cc2ccccc2)C(C)C)n1 225615730 JTCSSKWSNMLIMV-AEFFLSMTSA-N 344.503 4.000 0 50 EIAA Cc1nnc(-c2cccc(NC(=O)c3sccc3C3CC3)c2)o1 363562611 NDRLHJWLRLSRJP-UHFFFAOYSA-N 325.393 4.236 0 50 EIAA CCn1c(SCc2c(Cl)cncc2Cl)nnc1C1CC1 865347982 XLVPCASGYAEEBQ-UHFFFAOYSA-N 329.256 4.170 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)CC(=O)Nc1ccccc1F 1506402512 JBBBRYBVMVUNTB-SFHVURJKSA-N 329.419 4.023 0 50 EIAA C[C@H]1CCc2nc(C(=O)OCC3CC4(C3)CC43CCC3)ccc2C1 1875357861 ZKJRZCBNPMFEPB-VEBLATHCSA-N 325.452 4.334 0 50 EIAA O=C(O)c1cccc(C2CCN(C(=O)C[C@@H]3CCC34CCC4)CC2)c1 2325879929 MMQJKBCQLKVUSJ-SFHVURJKSA-N 341.451 4.061 0 50 EIAA COC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 373355 RDAHUWQQBAUTDL-UHFFFAOYSA-N 345.576 4.061 0 50 EIAA Cc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc1 427721 VXCDPSOOJALPSG-HNNXBMFYSA-N 325.408 4.109 0 50 EIAA COc1cccc(-n2cnc3scc(-c4cccs4)c3c2=O)c1 477021 MZVDIUPFRRXAIT-UHFFFAOYSA-N 340.429 4.184 0 50 EIAA CCOc1ccc(N[C@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 1232450 JKVZTIWSZPZDIB-INIZCTEOSA-N 342.420 4.032 0 50 EIAA O=C(O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1C(F)(F)F 1494963 AOEAEYCNEQBSCN-UHFFFAOYSA-N 325.164 4.077 0 50 EIAA in-vitro CCCCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 1787831 IDEFIQSEBJFWCA-UHFFFAOYSA-N 337.375 4.224 0 50 EIAA CCOc1ccc(OCCOCCOc2ccccc2Cl)cc1 2985431 WKXJEDROICKFOQ-UHFFFAOYSA-N 336.815 4.213 0 50 EIAA COc1cc(NC(=S)Nc2ccccc2F)c(OC)cc1Cl 5041401 FGXAHIRQUXRINA-UHFFFAOYSA-N 340.807 4.305 0 50 EIAA CCOC(=O)C1CCN(c2cc(C)c3cccc(SC)c3n2)CC1 5716843 FPRLMKFKKMRFCD-UHFFFAOYSA-N 344.480 4.045 0 50 EIAA Cc1c(C)n(Cc2ccccc2)c2ncnc(NCc3ccncc3)c12 8993219 SBDMTNILUSDEHB-UHFFFAOYSA-N 343.434 4.104 0 50 EIAA CC(C)CCc1noc(CN(Cc2ccccc2)CC2CCC2)n1 12574649 WPPHLJACYLNABY-UHFFFAOYSA-N 327.472 4.461 0 50 EIAA Cc1c([C@H](C)NCc2cccc(F)c2F)cnn1-c1cccc(F)c1 12582030 VTDFCVFWXIUDSU-LBPRGKRZSA-N 345.368 4.449 0 50 EIAA CC(C)C[C@H](O)c1ccc2c(c1)CN(Cc1cccs1)CCO2 14881236 RETWVTQFLFILQV-SFHVURJKSA-N 331.481 4.222 0 50 EIAA Cc1ccc(-c2nc(N3C[C@H](C)O[C@H](C)C3)c3ccccc3n2)cc1 17995519 XTJUHZVQYUMZEB-IYBDPMFKSA-N 333.435 4.219 0 50 EIAA Cc1csc(Cn2ccc(-c3cccc(-c4ccncc4)c3)n2)n1 20166764 VASGGKDDFFZVRF-UHFFFAOYSA-N 332.432 4.425 0 50 EIAA COc1cccc(NC(=O)CCC2CCN(C3CCCCC3)CC2)c1 20534723 NLDBUIDJWWLTOK-UHFFFAOYSA-N 344.499 4.459 0 50 EIAA O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1C1CCCCC1 40387690 IRKZZOYQSATPCT-UHFFFAOYSA-N 344.418 4.216 0 50 EIAA CCO[C@H]1C[C@@H](N(C)C(=O)/C=C/c2csc(C)n2)C12CCCCC2 170638951 WSJKGXRKSCUVQD-LJFOUZCWSA-N 348.512 4.051 0 50 EIAA C[C@@H](NC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)c1nccs1 182622250 NCTSBIOMGQDEEE-CYBMUJFWSA-N 343.496 4.270 0 50 EIAA c1ccc2sc([C@@H]3CCCN3Cc3ncc(C4CC4)o3)nc2c1 239366875 AGMFMKGAXILCGC-AWEZNQCLSA-N 325.437 4.499 0 50 EIAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(-c2cnn(CC)c2)c1 299769906 KELSMOJQTDJQJQ-FQEVSTJZSA-N 348.450 4.188 0 50 EIAA O=C(O)c1cc2ccccc2n1CCOc1ccccc1C(F)(F)F 1875304726 RYQGNRQMNLDGDP-UHFFFAOYSA-N 349.308 4.437 0 50 EIAA O=C1CS[C@@H](c2ccccc2)N1c1ccc(Br)cc1 179893 YFDZQHSDURAARR-HNNXBMFYSA-N 334.238 4.228 0 50 EIAA Cc1cccc(C[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 281405 HCVCTQQMLAAREH-HNNXBMFYSA-N 327.811 4.079 0 50 EIAA Cc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1O 453391 IUYBMIPFKFOFAC-OAQYLSRUSA-N 346.382 4.482 0 50 EIAA COc1cccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c1OC 1059594 VEHCNYMSNUVVBG-MRXNPFEDSA-N 333.387 4.331 0 50 EIAA COC(=O)c1ccccc1Sc1nc(SC)nc2ccsc12 1394046 GLGWQFOEWVDXSH-UHFFFAOYSA-N 348.474 4.351 0 50 EIAA CCCCOc1ccccc1NC(=O)c1cc2ccccc2oc1=O 1777602 UZHMRLSXRIGSIL-UHFFFAOYSA-N 337.375 4.224 0 50 EIAA CCOc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1 1822878 UGBBSFFHIRXSLS-UHFFFAOYSA-N 345.406 4.017 0 50 EIAA Clc1ccc(Cc2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2785792 UXSAQAVUWOFUFK-UHFFFAOYSA-N 340.839 4.072 0 50 EIAA CC[C@@H](C)c1ccccc1OCCOc1ccc(C=O)cc1OC 2866710 PMJBQRCGZLEKGV-OAHLLOKOSA-N 328.408 4.479 0 50 EIAA CCCN(Cc1ccccc1)C(=O)Nc1ccc2nsnc2c1 3004267 RRTCLVUDIWPQEZ-UHFFFAOYSA-N 326.425 4.135 0 50 EIAA N=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 4256674 QAFDENCSJCLATL-UHFFFAOYSA-N 340.180 4.218 0 50 EIAA CCCCC/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)CCCC(=O)O 4655414 GFNYAPAJUNPMGH-ZCASZMAYSA-N 338.488 4.382 0 50 EIAA endogenous,in-man COc1cc(CNCc2ccncc2)ccc1OCCc1ccccc1 4942977 WNJACQREFQZXLR-UHFFFAOYSA-N 348.446 4.002 0 50 EIAA Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)sc2ncccc12 10010829 XQQGVOZFHLQKIV-UHFFFAOYSA-N 338.219 4.438 0 50 EIAA Cc1ccc(-c2n[nH]cc2CN(C)C[C@H]2Cc3ccccc3O2)cc1C 11664604 AITKBSOTJSGBFH-HXUWFJFHSA-N 347.462 4.129 0 50 EIAA CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 12205162 PEBXTQMMYAQOII-LJQANCHMSA-N 336.479 4.474 0 50 EIAA Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)c(C)c1 18157882 PACPHBIBQHVQKU-AWEZNQCLSA-N 333.391 4.343 0 50 EIAA C[C@@H](CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 19636113 MMDSNOSYGNMGNB-LNYGYFNRSA-N 334.507 4.339 0 50 EIAA CCCN(C/C=C/c1ccccc1)C(=O)c1c(C)nc2sccn12 55393385 YACXRWQTJKLRLO-JXMROGBWSA-N 339.464 4.270 0 50 EIAA COc1ccc2cc([C@@H]3CN(Cc4ncccc4C)CCO3)ccc2c1 71403950 CYTMMBYVOKZFHN-QFIPXVFZSA-N 348.446 4.125 0 50 EIAA CN(C)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 72144909 CPXTUIGORFCUCV-GOSISDBHSA-N 338.451 4.035 0 50 EIAA Cc1nc(C)c(C(=O)N(C)Cc2csc(-c3cccs3)n2)s1 72418023 DEQPAPKICIKYRF-UHFFFAOYSA-N 349.506 4.217 0 50 EIAA Clc1ccc(-c2cc(NCc3ccncc3)nc3[nH]ccc23)nc1 72419116 RTRPAKVAGFUFDB-UHFFFAOYSA-N 335.798 4.285 0 50 EIAA Cc1cc(NCc2c(C)ccc3ncccc23)n2nc(C)c(C)c2n1 72470370 XANLJGMBZOQUHN-UHFFFAOYSA-N 331.423 4.123 0 50 EIAA Cc1cc(C(F)(F)F)n(C[C@@H](C)Cn2ccnc2-c2ccco2)n1 77505571 ABBBDRDARDJWDC-NSHDSACASA-N 338.333 4.003 0 50 EIAA Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)ccn1 82106313 GODVZDZFJQWHGL-LJQANCHMSA-N 332.451 4.019 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1c(C)noc1C 91657345 URKHWTZHLPBXBJ-ZDUSSCGKSA-N 333.457 4.157 0 50 EIAA Clc1cccc(C2(CN[C@H](c3ccccc3)c3ncc[nH]3)CC2)c1 127238056 SRBIBCPZJWKDEL-GOSISDBHSA-N 337.854 4.474 0 50 EIAA Cc1c(C(=O)N2CCC[C@@H]2c2ccco2)n(C)c2ccc(F)cc12 215334162 VRWKNWAITHKADL-MRXNPFEDSA-N 326.371 4.196 0 50 EIAA Cc1ncsc1CN(C)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 253429149 PHAXPMIMKBFZEC-ZBFHGGJFSA-N 347.459 4.068 0 50 EIAA Cc1cc2cc(NC(=O)N3Cc4ccccc4O[C@H](C)C3)ccc2[nH]1 367937420 VJRQGZQEPWUOJV-CQSZACIVSA-N 335.407 4.291 0 50 EIAA Cc1ccsc1-c1nsc(NC(=O)C[C@H]2CCCC2(F)F)n1 897990755 CSNOKTMORXSHGC-SECBINFHSA-N 343.424 4.339 0 50 EIAA COc1cccc(N2CCC(Nc3nc4ccccc4nc3C)CC2)c1 1318026548 ACDLUYNHLGWGNS-UHFFFAOYSA-N 348.450 4.028 0 50 EIAA Cc1ncsc1CCNC(=O)c1c(Cl)cc(Cl)cc1Cl 1468200729 ILGSKXDCSDOICD-UHFFFAOYSA-N 349.670 4.384 0 50 EIAA COc1ccccc1-c1nc(CN[C@@H](C)c2coc3ccccc23)no1 2325878480 QXQPJSTWYLUHSE-ZDUSSCGKSA-N 349.390 4.342 0 50 EIAA CCOc1cccc(-c2nc3ccc(Br)cc3c(=O)o2)c1 103991 XBMZANWFYVNVOV-UHFFFAOYSA-N 346.180 4.016 0 50 EIAA O=C(Nc1ncnc2sc3c(c12)CCCC3)c1ccccc1Cl 112044 CUWWJLSGELEGRM-UHFFFAOYSA-N 343.839 4.476 0 50 EIAA Cc1cccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)n1 114714 UDUCWHQCWKNPCA-NRFANRHFSA-N 343.430 4.199 0 50 EIAA COc1cccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)c1 177093 XSHXZGUPONVCNV-KRWDZBQOSA-N 346.430 4.276 0 50 EIAA O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1 266937 GSKLTHLRBKSFCS-UHFFFAOYSA-N 347.443 4.277 0 50 EIAA O=C1OCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 1111203 RTWXQWVWRRRBND-HNNXBMFYSA-N 337.400 4.416 0 50 EIAA O=C(Nc1nnc(-c2ccc(F)cc2)s1)Nc1ccccc1F 1250909 NZXHZLHVFJTBHF-UHFFFAOYSA-N 332.335 4.127 0 50 EIAA Cc1c(C(=O)Nc2ccc(Br)cn2)oc2ccccc12 1517951 ZPCKPIJFPKBVRV-UHFFFAOYSA-N 331.169 4.151 0 50 EIAA CCCOc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 1903577 AFMDNVLEQOEIBB-UHFFFAOYSA-N 328.393 4.444 0 50 EIAA COc1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2633991 ICYBZEGNGNCUBJ-UHFFFAOYSA-N 339.222 4.366 0 50 EIAA O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1ccccc1)c1ccccc1 2875696 SBJFBNCYLLCAJF-ROUUACIJSA-N 347.505 4.068 0 50 EIAA C/C=C/c1ccc(OCCOCCOc2ccccc2)c(OC)c1 2983687 URTHSEHLOMAVOW-XVNBXDOJSA-N 328.408 4.203 0 50 EIAA OCCCNC(Nc1ccccc1)=C(c1ccccc1)c1ccccc1 3201314 JFAUGXCLAYKTPO-UHFFFAOYSA-N 344.458 4.488 0 50 EIAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2[nH]cnc2c1 4625550 IRRKDASPNFAXCC-UHFFFAOYSA-N 339.704 4.487 0 50 EIAA COc1cccc(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)c1 4999101 CAEDHLPHRQAEBI-UHFFFAOYSA-N 341.480 4.406 0 50 EIAA FC(F)(F)c1ccccc1-n1c(S)nnc1CCc1ccccc1 6402879 AKLGFUXCSBTIAV-UHFFFAOYSA-N 349.381 4.360 0 50 EIAA Fc1cccc(-c2n[nH]c3c2CN(Cc2ccc(F)cc2F)CC3)c1 20537958 SMZQFYQDVBSRMS-UHFFFAOYSA-N 343.352 4.052 0 50 EIAA Nc1ccc(Cc2ccc(N)c(C(F)(F)F)c2)cc1C(F)(F)F 22007528 AWQGKLALEOCQAN-UHFFFAOYSA-N 334.263 4.479 0 50 EIAA Cc1nn(C)c(C)c1CN(C(=O)Cc1cccc2ccccc12)C(C)C 55166998 STLVUNLLDVCBPU-UHFFFAOYSA-N 349.478 4.170 0 50 EIAA Fc1ccc(-c2nccn2[C@H](Cn2cccn2)c2ccccc2)cc1 71735911 WXBBBXNBLZULGP-LJQANCHMSA-N 332.382 4.175 0 50 EIAA CN(Cc1cnc2cc(O)ccc2c1)Cc1cc(-c2ccccc2)no1 72127310 BEXDBASACBTXBK-UHFFFAOYSA-N 345.402 4.227 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc3c(C)cccc23)on1 82091422 WDGRJCMGSSAVMB-KRWDZBQOSA-N 335.407 4.125 0 50 EIAA Cc1cccc2nc(C(=O)N3CCCCC[C@H]3c3ccco3)c(F)n12 91563432 SMNKUPWGFWVZFF-AWEZNQCLSA-N 341.386 4.132 0 50 EIAA CC1(C)[C@H]2CCCC[C@H]2[C@H]1NC1CCN(C(=O)C2CCCCC2)CC1 121908317 REQHQYJJNXKOHS-HSALFYBXSA-N 346.559 4.362 0 50 EIAA Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@H]2c2ccco2)n1 151109605 FSIJJTXYCOEJPD-KRWDZBQOSA-N 336.395 4.143 0 50 EIAA O=C(Nc1ccccc1Oc1ccccc1Cl)[C@@H]1CCCNC1 151900859 GZIIJUFJNFBAHT-CYBMUJFWSA-N 330.815 4.070 0 50 EIAA CC(=O)N1CCc2sc(-c3csc(-c4ccc(C)o4)n3)cc2C1 162449065 RJIVWYHQFSHWDF-UHFFFAOYSA-N 344.461 4.345 0 50 EIAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Cl)cc1 257365558 PSAMANHUXSNCAO-RNRVQEDPSA-N 347.890 4.119 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(-c2ccc(F)cc2)o1 263498813 KHHRUFCKGUPURP-OLMNPRSZSA-N 343.398 4.303 0 50 EIAA Cc1cccnc1[C@H]1CCC[C@H](Nc2cccc(-c3nncn3C)c2)C1 281650322 PQGSUWHKFZALIF-WMZOPIPTSA-N 347.466 4.324 0 50 EIAA Cc1cccc([C@H](NC(=O)CCCc2c[nH]c3ccccc23)C2CC2)n1 299791507 DZBFMVOPTOEKQD-JOCHJYFZSA-N 347.462 4.462 0 50 EIAA CC(=O)Nc1ccc(C(=O)N(c2cc(C)ccc2C)C(C)C)cc1F 408514496 BXRHWXCTYZGUEO-UHFFFAOYSA-N 342.414 4.456 0 50 EIAA CC(C)(C)OC(=O)N1CCC2(CC1)CNc1c(Cl)cccc1C2 409419067 PUMGXAAPXXZGJP-UHFFFAOYSA-N 336.863 4.325 0 50 EIAA O=C(c1conc1-c1ccccc1)N1CCCC[C@H]1c1nccs1 426445687 WIGXJSHYTJTIEJ-HNNXBMFYSA-N 339.420 4.166 0 50 EIAA O=C(Nc1cccc(OCCF)c1)NC1CCC2(CC1)CC2(F)F 666335124 CGWYWMPFTZIFHG-UHFFFAOYSA-N 342.361 4.124 0 50 EIAA Cc1cc(C)n(-c2ccc(NC(=O)C3(C)CC(F)(F)C3)cc2F)n1 874101803 JLEGAYUOYQRTJM-UHFFFAOYSA-N 337.345 4.002 0 50 EIAA Cc1ccc(-c2noc([C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)n2)c(F)c1 1775999553 OMHLNOIGZXXFPF-LPWJVIDDSA-N 342.292 4.007 0 50 EIAA C[C@H](c1cc(F)ccc1F)N1CCC(CN)(c2ccccc2)CC1 1875316845 IZPQMZQAUQEFQS-OAHLLOKOSA-N 330.422 4.018 0 50 EIAA C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)no1)c1cccc(O)c1 1875320409 CBCXNXLQYUBLGL-NSHDSACASA-N 342.782 4.192 0 50 EIAA Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 74774 XMNZHXBBHNKPKV-UHFFFAOYSA-N 345.464 4.208 0 50 EIAA CC(C)Oc1cccc(C(=O)Nc2cccc(Br)c2)c1 309875 MIRIYQNPWAIVJN-UHFFFAOYSA-N 334.213 4.489 0 50 EIAA O=c1oc2ccccc2cc1-c1nnc(NC2CCCCC2)s1 387584 DWEMRXISDOKAPG-UHFFFAOYSA-N 327.409 4.056 0 50 EIAA O=C(COc1cccc(Cl)c1)Nc1ccc(Br)cc1 406236 DVTHZRCXTUZMEB-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA CSc1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 525330 CSMUJGFOINJKSH-UHFFFAOYSA-N 348.427 4.161 0 50 EIAA O=C(Cc1cccs1)Nc1ccc(NC(=O)c2cccs2)cc1 621196 BMNRSASWRDKYSN-UHFFFAOYSA-N 342.445 4.243 0 50 EIAA COc1cccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)c1 1456883 CMKNABCWFGXGCW-UHFFFAOYSA-N 332.403 4.146 0 50 EIAA COc1cccc(-c2nc(N3CCC[C@H](C)C3)c3ccccc3n2)c1O 2225776 QZGLKAPEKDFRMX-AWEZNQCLSA-N 349.434 4.247 0 50 EIAA CCC(NC(=O)Nc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F 3189028 FUOSIOSGQDJGRT-UHFFFAOYSA-N 344.255 4.090 0 50 EIAA biogenic Cc1cc(O)n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1 4989563 RDTGBVNIVOODQB-UHFFFAOYSA-N 328.375 4.010 0 50 EIAA O=C(Cc1noc(-c2ccc(Cl)c(Cl)c2)n1)Nc1ccccc1 16579392 RWERGNRXYHSJGM-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA CC(C)[C@@H](C(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1)N(C)C=O 35243970 OVKNTNIBDGTNQY-SFHVURJKSA-N 346.515 4.333 0 50 EIAA COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1ccccc1Cl 36621116 OLOLATQSFRXYGA-OAHLLOKOSA-N 345.826 4.335 0 50 EIAA CC[C@@H](C)c1ccccc1OCC(=O)N(Cc1cccnc1)C1CC1 54687234 KROPMNIZSUQADI-MRXNPFEDSA-N 338.451 4.165 0 50 EIAA CCn1ccnc1C1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1 91289435 OGKHIPLCPHYDRJ-IBGZPJMESA-N 339.483 4.049 0 50 EIAA O=C(c1ccc(C[C@H]2COc3ccccc3C2)cc1)N1CCCCC1 92064863 BBNPOJTYULPEIK-GOSISDBHSA-N 335.447 4.107 0 50 EIAA Cc1c(-c2nc(N)nc(Nc3ccc(F)cc3)n2)oc2ccccc12 95545430 UXYJKRZHUCDGEH-UHFFFAOYSA-N 335.342 4.058 0 50 EIAA Cc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1C(=O)N(C)C 152035665 MYPRXUQUIJLTSI-UHFFFAOYSA-N 338.451 4.022 0 50 EIAA Cc1c(C(=O)N2CCC[C@H]2c2ccco2)n(C)c2ccc(F)cc12 215334204 VRWKNWAITHKADL-INIZCTEOSA-N 326.371 4.196 0 50 EIAA CC(C)Cc1ccc(CN2CCC(CCn3cccn3)CC2)s1 821459853 KFTNNAURYSCKHG-UHFFFAOYSA-N 331.529 4.445 0 50 EIAA O=C(Nc1ccc(Oc2ccccc2F)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 894788241 WTSKLRGDKOEYIC-BFYDXBDKSA-N 327.355 4.124 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2ccccc2SC)c(C)c1 952977966 JZWBSBYGUJNIEX-UHFFFAOYSA-N 328.437 4.318 0 50 EIAA CCN1CCC(CCn2ccnc2-c2ccc3cccnc3c2)CC1 1857691533 PJKCQOBLGDWPAJ-UHFFFAOYSA-N 334.467 4.220 0 50 EIAA CC(C)c1cc(C(=O)N[C@H](C)C23CCC(CC2)C3)nn1C(C)(C)C 1875355817 ASRLGVYOZINUJQ-ZUIJCZDSSA-N 331.504 4.460 0 50 EIAA Cc1cnc(Cl)cc1NC(=O)N=c1cc(C(C)C)n(C(C)(C)C)[nH]1 2325840544 FMRIFFHOYDGEAA-UHFFFAOYSA-N 349.866 4.184 0 50 EIAA CCOc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 45871 VRSDYVYQTVWMIH-UHFFFAOYSA-N 334.213 4.409 0 50 EIAA CC(C)(C)c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1 71732 GJKPANROBQAVFH-UHFFFAOYSA-N 347.462 4.431 0 50 EIAA O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1O 167830 MJNITMIGRPVYGZ-UHFFFAOYSA-N 333.343 4.010 0 50 EIAA O=c1c2c(nc3n1CCCS3)-c1ccccc1CC21CCCCC1 267378 IMPBOKOHBGPDBD-UHFFFAOYSA-N 338.476 4.164 0 50 EIAA Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 358538 RXSUACICCJIAIB-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(Br)cc2)c1 370692 WILHWLIYWSUAKH-AWEZNQCLSA-N 346.268 4.486 0 50 EIAA c1ccc(Cc2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 383110 ZTXMSLSUPVSRBJ-UHFFFAOYSA-N 332.388 4.190 0 50 EIAA Cc1cc(C(=O)OCC(=O)c2ccc(C)c(C)c2)c2ccccc2n1 453203 TXVBJXVFSNCCOA-UHFFFAOYSA-N 333.387 4.200 0 50 EIAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 455378 KCCFIIGTFQAXJA-UHFFFAOYSA-N 325.742 4.414 0 50 EIAA COc1ccc(/C=C2\SC(=O)N(c3cccc(C)c3)C2=O)cc1 1190569 MCLDGTKCQQMPBX-WJDWOHSUSA-N 325.389 4.245 0 50 EIAA O=C(CSc1nccc(-c2cccs2)n1)c1ccc(F)cc1F 2789497 HNNKQTVOKYMGCS-UHFFFAOYSA-N 348.399 4.458 0 50 EIAA O=C(Nc1ccc(Cl)cn1)[C@@]1(c2ccccc2)CC1(Cl)Cl 2923341 DSWHHIYJBRDEHF-AWEZNQCLSA-N 341.625 4.189 0 50 EIAA Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c(C)c1 4843338 YBUZXLAOBUYXJW-UHFFFAOYSA-N 349.434 4.404 0 50 EIAA Cc1sc(NC(=O)COc2ccccc2F)nc1-c1ccccc1 7800092 FBIUMLKMHJDDEK-UHFFFAOYSA-N 342.395 4.275 0 50 EIAA CCOc1cccc(C(=O)Nc2nnc(-c3ccccc3C)s2)c1 9137966 NXOHCXAAQGDNGI-UHFFFAOYSA-N 339.420 4.165 0 50 EIAA CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 12138464 QXNGQSVUHPKZCJ-ZDUSSCGKSA-N 344.842 4.050 0 50 EIAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NCc1ccsc1 12298062 VZDQPSHHBNAVMM-HNNXBMFYSA-N 344.528 4.468 0 50 EIAA Cc1nn(C)cc1-c1ccnc(N[C@@H](C)c2ccc(Cl)cc2)n1 48066926 NLPGZFFTXNVOBZ-NSHDSACASA-N 327.819 4.012 0 50 EIAA C/C=C(\C)CN1CCC(Oc2ccc3ccccc3c2)(C(=O)O)CC1 72435124 IBQAKJWPCSEKME-HQYXKAPLSA-N 339.435 4.104 0 50 EIAA COc1cccc([C@@H]2CCCN2C(=O)c2ccccc2-c2ncc[nH]2)c1 77286825 CCGAZSFBRSMOJJ-IBGZPJMESA-N 347.418 4.063 0 50 EIAA FC(F)Oc1ccc(CN2CCCC[C@H]2CCN2CCCC2)cc1 77341361 YZKVDMZQMYQGFY-KRWDZBQOSA-N 338.442 4.128 0 50 EIAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 91486880 DYGANXRTBNWMOI-UHFFFAOYSA-N 349.837 4.276 0 50 EIAA O=C(N[C@@H]1CCCc2c(O)cccc21)[C@@H]1C[C@H]1c1ccccc1Cl 170611449 YEAYVLYAQSNVAZ-LZLYRXPVSA-N 341.838 4.343 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N3CCO[C@@H](c4ccco4)C3)oc12 176807545 CMNWOYLMSIBHMC-MRXNPFEDSA-N 339.391 4.165 0 50 EIAA Cc1coc(-c2cccc(NC(=O)N[C@H]3CCOc4ccccc43)c2)n1 177422843 MAPFVUZCZQVSBJ-KRWDZBQOSA-N 349.390 4.295 0 50 EIAA Fc1ccc(OC2CN(Cc3ccc([C@H]4CCCCO4)s3)C2)cc1 216422552 CKNPOWBBLIMRIG-GOSISDBHSA-N 347.455 4.392 0 50 EIAA COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 252444141 CHGMHJXHCWOEEE-ZBFHGGJFSA-N 344.480 4.229 0 50 EIAA COc1ccccc1-c1nc(CN2CCC(F)(F)[C@@H](C)C2)cs1 289841813 PFQFSBARVQPASE-LBPRGKRZSA-N 338.423 4.296 0 50 EIAA c1cc(-c2noc([C@H]3CCn4c(cnc4C4CCCCC4)C3)n2)ccn1 328587257 QHWRZMRAGIYEBT-INIZCTEOSA-N 349.438 4.106 0 50 EIAA C[C@@H](NCc1cccc2ncccc12)c1ccc2c(c1)C(C)(C)C(=O)N2 872124546 OXLCXOVWRJBPPD-CQSZACIVSA-N 345.446 4.315 0 50 EIAA C[C@@H](O)c1cc(NC[C@H](O)c2ccc(Cl)c(Cl)c2)ccc1F 905335080 HGDJZSVLUVZUGQ-ABKXIKBNSA-N 344.213 4.331 0 50 EIAA FC(F)(F)Cc1ccc(-c2nccn2CC[C@@H]2CCCOC2)cc1 1857713051 BEXQIEMRTNGQHG-HNNXBMFYSA-N 338.373 4.472 0 50 EIAA CN(C)c1cccc(Cl)c1CN[C@H]1CCN(C)c2ccccc21 1875259997 VVBWGZPBCKOMBN-KRWDZBQOSA-N 329.875 4.077 0 50 EIAA C[C@H]1CC(C)(C)c2cccc(NC(=O)N[C@H](C)C3CCN(C)CC3)c21 1875319969 AKQXWXNMXGVARF-LSDHHAIUSA-N 343.515 4.323 0 50 EIAA Cc1ccc(NC(=O)c2cc3c(nc2Cl)CCSC3)c(F)c1 1875369740 DQHVKLPHNMGYMY-UHFFFAOYSA-N 336.819 4.224 0 50 EIAA Cc1ccc(-c2nc(N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)cc1 80983 XTJUHZVQYUMZEB-HOTGVXAUSA-N 333.435 4.219 0 50 EIAA O=C1N[C@H](c2ccccc2OCc2ccccc2)Nc2ccccc21 276613 VDPSMZHUXSLURS-HXUWFJFHSA-N 330.387 4.120 0 50 EIAA CCOc1ccc([C@H](C)NC(=O)c2cccc(Br)c2)cc1 305977 RMTKXBKQKHTYRC-LBPRGKRZSA-N 348.240 4.339 0 50 EIAA O=C(COc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 620561 NWEWXBYEWJHBQK-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA C[C@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@@H]1C 4777669 QFUXQRHAJWXPGP-MWRFHTASSA-N 340.375 4.229 0 50 EIAA CN(C)c1ccc(-c2cc(-c3ccc(Cl)cc3)nc3ncnn23)cc1 5569773 DSAIHMIWWPLIBR-UHFFFAOYSA-N 349.825 4.178 0 50 EIAA COc1ccccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 6946044 QSUAFZGUSOOYHO-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA Nc1c(C(=O)Nc2c(Cl)cccc2Cl)sc2ncccc12 10010830 QZSNCUSUDHLMCY-UHFFFAOYSA-N 338.219 4.438 0 50 EIAA COC[C@H]1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 12316295 XNSOIFLKRNEHPJ-KRWDZBQOSA-N 347.462 4.212 0 50 EIAA COc1cc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc(OC)c1 36621093 CMFSDCXWKAUCHW-IBGZPJMESA-N 340.423 4.381 0 50 EIAA CCCCc1ccc(C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)nc1 55384726 JXRNODMGQSGIGC-CQSZACIVSA-N 326.444 4.152 0 50 EIAA Clc1ccccc1OC1CN(Cc2ccc([C@H]3CCCCO3)o2)C1 72153449 JMTOJAIVPFDWGO-GOSISDBHSA-N 347.842 4.438 0 50 EIAA Cc1ncsc1CCC(=O)N(Cc1ccco1)Cc1cccs1 82157836 NLJQTUGRBMRMBX-UHFFFAOYSA-N 346.477 4.268 0 50 EIAA CC(C)[C@H]1C=CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 95379133 PQINCAFJCMPGPX-OAQYLSRUSA-N 343.430 4.333 0 50 EIAA Cc1nc(CN2CCCCc3c(Br)cccc32)oc1C 170594162 DYWSSGNYDKXFQH-UHFFFAOYSA-N 335.245 4.397 0 50 EIAA Cc1cnccc1CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 188313981 RFMCAONEOVMIJX-HXUWFJFHSA-N 335.451 4.142 0 50 EIAA CN1CC[C@@H](CNCc2csc3ccccc23)[C@@H]1c1cccnc1 328626028 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349.430 4.385 0 50 EIAA COc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1OC 186419 NZDWVHYJDTVHRA-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Br)cc1 196526 GXDFCYIUGFHKFJ-CQSZACIVSA-N 349.253 4.208 0 50 EIAA Cn1c(-c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 235703 RSMNBXYHAORXOY-UHFFFAOYSA-N 342.442 4.482 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1 317611 HWRKYYFXRSJTHP-UHFFFAOYSA-N 346.814 4.014 0 50 EIAA Cc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 444953 WVZGBNKGOSAGJW-UHFFFAOYSA-N 337.463 4.164 0 50 EIAA Cc1cc(C)c2c(n1)nn1c(N[C@H](C)c3ccccc3)cc(C)nc21 2326791 RUQYGQDMFFXNHA-OAHLLOKOSA-N 331.423 4.376 0 50 EIAA CN(C(=O)c1cccc(NC(=O)Cc2ccccc2)c1)c1ccccc1 4810077 VJNVNPSOEZFRQN-UHFFFAOYSA-N 344.414 4.144 0 50 EIAA Cc1cccc(Cn2nc(C)c(NC(=O)c3ccccc3C)c2C)c1 4840320 MZXUHAULOZGHSI-UHFFFAOYSA-N 333.435 4.417 0 50 EIAA CC1CCN(C(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)CC1 4866230 ZBZXPCRMFZUVPW-UHFFFAOYSA-N 347.418 4.276 0 50 EIAA Cc1ccc(-c2cnn3c(N4C[C@H](C)C[C@@H](C)C4)cc(C)nc23)cc1 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EIAA CCc1oc2c(NC(=O)NCC[C@@H](C)n3ccnc3)cccc2c1C 299762283 SYIGVLRLYZQZRR-CYBMUJFWSA-N 340.427 4.273 0 50 EIAA CCn1cc(-c2cccc(C(=O)N(C)[C@H](C)c3cccs3)c2)cn1 299767184 HAZBDKYZMPIJAG-CQSZACIVSA-N 339.464 4.465 0 50 EIAA FC(F)c1cnc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 450382591 WOQRGEYCOQTDIX-ZDUSSCGKSA-N 349.772 4.285 0 50 EIAA C[C@H](NC(=O)c1c2ccccc2nn1C)c1cccc(C(F)(F)F)c1 473844522 RKDXJYYSYSKRLD-NSHDSACASA-N 347.340 4.083 0 50 EIAA CCc1nc(C2CCN(Cc3c(Cl)oc4ccccc34)CC2)n[nH]1 682998890 DXIQEAHPMQNZTB-UHFFFAOYSA-N 344.846 4.146 0 50 EIAA CC(=O)c1cc(CN2CCC3(CCc4ccccc43)CC2)cs1 1506419402 ZYGRQOPBDWHRNG-UHFFFAOYSA-N 325.477 4.431 0 50 EIAA Cc1ccc([C@@H](C)c2noc(-c3cc(-c4cccs4)[nH]n3)n2)o1 1875332006 JNGFNJMPFBVTGG-SNVBAGLBSA-N 326.381 4.241 0 50 EIAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(C(C)C)c1 1875334256 HRSOSWMWADJHQM-LJQANCHMSA-N 329.465 4.084 0 50 EIAA COc1cccc(-c2nc(N(C)C[C@H]3C[C@@H]3C)c3ccccc3n2)c1 1875359035 RRFFJAAXPFRESZ-GOEBONIOSA-N 333.435 4.398 0 50 EIAA O=C(O)[C@H]1CCC2(CCC2)N(Cc2ncc(-c3ccccc3)s2)C1 2325798288 GFSPWMAAAHVEBT-HNNXBMFYSA-N 342.464 4.029 0 50 EIAA O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 70038 HOSRWXXLRWQPPH-SFHVURJKSA-N 341.451 4.346 0 50 EIAA COc1cc(C=O)cc2c1O[C@]1(C=C2)N(C)c2ccccc2C1(C)C 238051 SOSWXHDRHCWCDK-NRFANRHFSA-N 335.403 4.037 0 50 EIAA O=C(CCc1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1 357420 XWHTWBWTOGTVPM-UHFFFAOYSA-N 329.399 4.489 0 50 EIAA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccccc1Cl 388865 PSUNKNVCRCEIQX-UHFFFAOYSA-N 339.609 4.405 0 50 EIAA O=c1c2ccccc2ncn1CCCOc1ccc2ccccc2c1 2862599 WZNKUWRBXQUOCB-UHFFFAOYSA-N 330.387 4.019 0 50 EIAA COc1cc(C=O)ccc1OCCCCOc1cccc(Cl)c1 2991415 YAEQYTMBBVZFDE-UHFFFAOYSA-N 334.799 4.399 0 50 EIAA C[C@H]1C[C@@H](C)CN(CCOc2ccc(Br)cc2Cl)C1 4914034 UHCPLTZEQRQLPP-TXEJJXNPSA-N 346.696 4.459 0 50 EIAA Cc1cccc(-c2noc(CN(C(=O)c3ccccc3)C(C)C)n2)c1 6700851 CIHCGLXBPISXML-UHFFFAOYSA-N 335.407 4.096 0 50 EIAA Cc1ccc(Cl)cc1-n1ncc2c(N3CCC(C)CC3)ncnc21 8582975 VWURPNXWVGHVKI-UHFFFAOYSA-N 341.846 4.014 0 50 EIAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 10461599 SYPMORGLIPPKAD-HZPDHXFCSA-N 336.435 4.057 0 50 EIAA OC[C@]1(CCc2ccccc2)CCCN(Cc2cc3ccccc3[nH]2)C1 12439940 JUKABHRZULNBNQ-QHCPKHFHSA-N 348.490 4.375 0 50 EIAA CCOC(=O)C1(CCCc2ccccc2)CCN(C2CCC2)CC1 13594452 ZKCFXDUTZAQVPA-UHFFFAOYSA-N 329.484 4.207 0 50 EIAA CCN(Cc1ccccc1)Cc1ccc(OC)c(Br)c1 23282161 RZTSYMVOZFRRTL-UHFFFAOYSA-N 334.257 4.480 0 50 EIAA O=C(Nc1ccnn1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 28291317 MQBOWRHACVPLHI-UHFFFAOYSA-N 335.451 4.086 0 50 EIAA CCc1cccc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33089083 ARGSFIQGVZRHMZ-CQSZACIVSA-N 346.430 4.242 0 50 EIAA Cn1c(-c2ccccc2OCCCCn2ccnc2)nc2ccccc21 63846516 BIMUJSTVUVCQPE-UHFFFAOYSA-N 346.434 4.296 0 50 EIAA COCc1nn2c(-c3ccccc3)ccnc2c1-c1ccc(F)cc1 67631031 WWYYOVJAUVKGHR-UHFFFAOYSA-N 333.366 4.349 0 50 EIAA COc1ccc(-c2nccn2-c2ccc(Cl)cc2)c(OC)c1OC 67908577 SAVYVFCOQMXKKW-UHFFFAOYSA-N 344.798 4.219 0 50 EIAA CCc1nnc(CN(CC)C(=O)Nc2ccc([C@H](C)CC)cc2)o1 97475444 MXFFBNSCNCJIKD-CYBMUJFWSA-N 330.432 4.200 0 50 EIAA CCCn1c(C)nnc1CN[C@H](C)c1ccc(Cl)cc1Cl 179373414 VVOAEFQJFLMSAP-SNVBAGLBSA-N 327.259 4.154 0 50 EIAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)s1 257365503 FPOYGYCUNRHSFP-RDBSUJKOSA-N 345.468 4.030 0 50 EIAA CCCN1C(=O)c2ccc(Cl)cc2N[C@@]12CCOC1(CCC1)C2 414188040 RAUJCQKYVGPABS-SFHVURJKSA-N 334.847 4.047 0 50 EIAA CCc1cnccc1[C@@H](C)NCc1cn(-c2cccc(F)c2)nc1C 414369285 ULTXCSCRWRJKNV-OAHLLOKOSA-N 338.430 4.128 0 50 EIAA Cc1cc(-c2ccc(C(F)(F)F)cc2CO)ccc1N1CCCC1=O 665211267 QRAQHYKLUPOBCU-UHFFFAOYSA-N 349.352 4.300 0 50 EIAA CC(C)(C)OCc1cccc(NC(=O)[C@H]2CC(=O)c3ccccc32)c1 885619522 UEQJLGNSYFDTJO-SFHVURJKSA-N 337.419 4.310 0 50 EIAA O=C(N[C@@H]1C[C@H]1C1CCCC1)N1CCCCC[C@H]1c1ccncc1 1875335875 JSFWGYVYGXBBNW-OTWHNJEPSA-N 327.472 4.287 0 50 EIAA Cc1ccc(C(C)C)cc1NC(=O)N1CC[C@@H](Oc2ccncc2)C1 2325782021 OPVUUHAVCXHBNQ-GOSISDBHSA-N 339.439 4.199 0 50 EIAA CCOc1ccc([C@@H](C)NC(=O)c2cccc(Br)c2)cc1 305975 RMTKXBKQKHTYRC-GFCCVEGCSA-N 348.240 4.339 0 50 EIAA COc1ccc(-c2ccc(-c3noc(-c4ccco4)n3)c(OC)n2)cc1 498586 CGRRGMGMIIYDOH-UHFFFAOYSA-N 349.346 4.076 0 50 EIAA O=C(Nc1cccnc1)Nc1ccc(Br)cc1Cl 610792 CLEPOBYKPOEYGC-UHFFFAOYSA-N 326.581 4.142 0 50 EIAA Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(C)o3)C2=O)cc1 981552 KIDBBOFKXJCOCK-WJDWOHSUSA-N 343.404 4.012 0 50 EIAA COc1cc(/C=C/C(=O)N[C@H](C)CCCC(C)C)cc(OC)c1OC 2988323 CGJRJQRPRDNBDC-AUECHBEKSA-N 349.471 4.057 0 50 EIAA COc1ccccc1-c1c(C)nn2c(NC3CCCC3)cc(C)nc12 3063623 KHJRMZBZSNFWHX-UHFFFAOYSA-N 336.439 4.376 0 50 EIAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 3097284 IVFTZBNUSRCRLK-MGPLVRAMSA-N 326.223 4.309 0 50 EIAA CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 4217041 LGRKCTFWUWAKON-RRFJAZBJSA-N 330.468 4.450 0 50 EIAA Cc1cc(O)c(NC(=O)COc2ccc(Cl)cc2Cl)cc1C 5008056 UCFAEIMPJBXHJX-UHFFFAOYSA-N 340.206 4.333 0 50 EIAA O=C(Nc1ccc(Br)cc1Br)c1ccco1 5514019 KOVRKJCBOWUMQD-UHFFFAOYSA-N 344.990 4.057 0 50 EIAA O=C(NC[C@H]1CCCN(CCCC2CCCC2)C1)c1cccs1 11661812 HBSBGCUPXKMGFX-QGZVFWFLSA-N 334.529 4.160 0 50 EIAA CCCN1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 11817412 PREMIGFXQTXXKZ-SFHVURJKSA-N 339.439 4.077 0 50 EIAA Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1C 15010272 IMEFNJINYPMJRK-SXGWCWSVSA-N 344.411 4.018 0 50 EIAA Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)nc1 16605501 ORDUBTFRJHUXLP-SNVBAGLBSA-N 325.195 4.103 0 50 EIAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NCc2ccoc2)C1 20540124 OPNLVWSRSUFIQG-SFHVURJKSA-N 339.414 4.408 0 50 EIAA O=C(CCC(F)(F)F)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 20543238 GGXHSAAZNLCFEU-CYBMUJFWSA-N 349.343 4.479 0 50 EIAA COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1 36620597 IKZUPIFPDKDJJJ-GOSISDBHSA-N 344.386 4.212 0 50 EIAA CC(=O)c1c(C)cc(C)c(-c2nccn2[C@H](C)c2cnn(C)c2)c1C 71774427 IHHUNBZQWDIMRP-OAHLLOKOSA-N 336.439 4.021 0 50 EIAA CC(C)CCn1c(CN2CC(c3ccccn3)C2)nc2ccccc21 72134279 FKCFRTOSJIQBMM-UHFFFAOYSA-N 334.467 4.077 0 50 EIAA Clc1ccccc1C1(c2ccnc(-c3ccco3)n2)CCNCC1 72411151 DVGHZVDFEVWAIQ-UHFFFAOYSA-N 339.826 4.060 0 50 EIAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccsc2)cc1 77298629 JSRNQUXICODFQW-GOSISDBHSA-N 328.481 4.177 0 50 EIAA CSc1ccc(CNC(=O)Cc2c(C)[nH]c3c(F)cccc23)cc1 91616717 VUTCOJUMROBKGF-UHFFFAOYSA-N 342.439 4.196 0 50 EIAA c1cc(OCC2CC2)ccc1OCc1csc([C@@H]2CCCO2)n1 153187050 DPUHIIRQUZRATL-KRWDZBQOSA-N 331.437 4.362 0 50 EIAA CSc1ncc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)cn1 223507582 NLLUSDMOCBSCMJ-INIZCTEOSA-N 345.443 4.095 0 50 EIAA CC(C)Oc1cc(O)ccc1NC(=O)CCc1cccc(F)c1F 225463104 JBOMJJBLTIQSPL-UHFFFAOYSA-N 335.350 4.029 0 50 EIAA CC[C@H](c1ccccn1)N(C)CCC(=O)Nc1ccc(F)c(Cl)c1 244724719 MZISUTXIQPSZAE-QGZVFWFLSA-N 349.837 4.286 0 50 EIAA CN(C)C(=O)c1ccc(CN2CCCCC[C@@H]2c2cccc(F)c2)o1 252485268 GPWTTWFKKIDXRM-GOSISDBHSA-N 344.430 4.238 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 253621751 UITNBJRZYAEYLY-DNNXKHSDSA-N 344.495 4.386 0 50 EIAA Fc1cccc(OC(F)(F)F)c1-c1nc2ccc(Cl)nc2[nH]1 790590990 PNSVBSMEWTVYSU-UHFFFAOYSA-N 331.656 4.316 0 50 EIAA FC(F)(F)c1cccc(CCN[C@H]2CCN(c3ccccc3)C2)c1 1506421304 GSKDRVQVXULNBR-KRWDZBQOSA-N 334.385 4.116 0 50 EIAA CC(C)Oc1ccnc(CSCCCCCC2OCCO2)c1 1875332738 ICFFCGRQEPZCGV-UHFFFAOYSA-N 325.474 4.035 0 50 EIAA COc1ccc(C2(N[C@@H]3CCc4cc(F)c(OC)cc43)CCC2)cc1 2325827302 BQQDPJCEHOXXPF-LJQANCHMSA-N 341.426 4.499 0 50 EIAA C[C@](O)(CNCc1ccc2c(c1)CCCC2)C1CCC(F)(F)CC1 2325841988 LNNGARIBOLCJIG-IBGZPJMESA-N 337.454 4.232 0 50 EIAA O=C(CSc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1 42209 JHSDFAZGCITDLN-UHFFFAOYSA-N 334.347 4.139 0 50 EIAA CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 201144 SOQGMJOQWMDRTC-UHFFFAOYSA-N 345.445 4.205 0 50 EIAA CC(C)(C)c1cc(CC(=S)N2CCOCC2)c2c(c1)C(C)(C)CC2 315412 KJAAXRDIMJUPAJ-UHFFFAOYSA-N 345.552 4.410 0 50 EIAA C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@H](C)O1 397256 LLZDCBIOKUESQB-YUMQZZPRSA-N 337.634 4.288 0 50 EIAA COc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 440551 KYOYVZZZFJRLJF-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c1 453999 GLSABRXIGDQOHT-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA CNc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl 482299 ICXBBYCDPXIAGD-UHFFFAOYSA-N 338.190 4.075 0 50 EIAA COc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1OC 616437 YOPOPAVQRJNFSG-UHFFFAOYSA-N 345.398 4.204 0 50 EIAA O=C(NCc1ccc(F)cc1)c1cc(Br)ccc1Cl 621212 VGJNFJHAICDSAV-UHFFFAOYSA-N 342.595 4.172 0 50 EIAA C/C=C/c1ccc(OCCOc2c(OC)cccc2OC)c(OC)c1 4702065 AYVZGRPGWNSTNH-FNORWQNLSA-N 344.407 4.203 0 50 EIAA O=C(CSCc1ccc(Br)cc1)N1CCCCCC1 4813969 SSCGGNDUUVIEMC-UHFFFAOYSA-N 342.302 4.085 0 50 EIAA CNc1c(NC(=O)Nc2ccccc2Cl)c(=O)oc2ccccc12 6747585 DKTHWBWTAXVOKV-UHFFFAOYSA-N 343.770 4.132 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2cccc3ccccc23)CC1 7185178 HKTXRFBWIYRARZ-UHFFFAOYSA-N 330.431 4.111 0 50 EIAA O=C(c1csc2c1CCCC2)N1CCC[C@H](Nc2ccccc2)C1 12204049 HBQOZBUVWVSOPL-INIZCTEOSA-N 340.492 4.344 0 50 EIAA CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(Cc3ccon3)C2)cc1 13594988 DUOVSWSCNLLFBM-INIZCTEOSA-N 326.440 4.067 0 50 EIAA Clc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1 55542965 CMZLSJOICXCPRS-UHFFFAOYSA-N 325.843 4.144 0 50 EIAA Cc1ccccc1-c1ncc(CN2CCC[C@@H]2c2nonc2C)s1 65382850 VTSOXYNRSMFSOY-MRXNPFEDSA-N 340.452 4.147 0 50 EIAA C[C@@H](c1ccc(-c2nccn2-c2ccc3nccnc3c2)cc1)N(C)C 71755204 LIFHMFQXRQLNBS-HNNXBMFYSA-N 343.434 4.105 0 50 EIAA CC[C@H]1CCCCN1C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82160461 FGILLRMXJFZEKI-SFHVURJKSA-N 333.435 4.406 0 50 EIAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@@H]1c1ccccc1 91474924 VZCSYUDFQQJWRL-GOSISDBHSA-N 335.382 4.193 0 50 EIAA C[C@@H](NC(=O)Nc1cnn(Cc2cccc(F)c2)c1)C1=CCCCC1 96130767 YQKYCPPAFWLMEZ-CQSZACIVSA-N 342.418 4.081 0 50 EIAA CCc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)n(C)n1 116513340 MGMHWLPLPRWLTM-OAHLLOKOSA-N 332.835 4.005 0 50 EIAA FC(F)(F)c1cc(CBr)n(-c2ccccc2Cl)n1 118447788 UTUSFZUJDIXUBE-UHFFFAOYSA-N 339.542 4.439 0 50 EIAA CC(C)Oc1cccc(/C=C(/Cc2ccccc2)c2nccc(=O)[nH]2)c1 170610378 KTDUYFNJKTXNRL-RGEXLXHISA-N 346.430 4.340 0 50 EIAA Cc1cccc(CNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)n1 175422687 ORJWNUGCBAJOGX-HXUWFJFHSA-N 335.451 4.142 0 50 EIAA Cc1ccoc1C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 189685247 DLRFNZBVVYAGCE-KRWDZBQOSA-N 335.407 4.346 0 50 EIAA CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O 225398140 XGRVPMCVBKYGMQ-TXTKFYIRSA-N 347.458 4.287 0 50 EIAA O=C(NC1(C(=O)O)CCCC1)c1cc(-c2ccccc2)ccc1Cl 237967138 GKZXTZHXDUHJFJ-UHFFFAOYSA-N 343.810 4.134 0 50 EIAA CCc1ccccc1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O 239259359 ZCBHLUSOQLVXFZ-GUDVDZBRSA-N 333.431 4.322 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2F)n1 257365267 YISLYXFIZCOVDL-UXLLHSPISA-N 344.455 4.448 0 50 EIAA Cc1csc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 333849652 PCMYDJJSEKDJRF-CQSZACIVSA-N 341.440 4.087 0 50 EIAA O=C(NCc1nnc(C2CC2)s1)N1CCCC2(CCCCC2)CC1 333936787 KWBHSZTZBOGQNN-UHFFFAOYSA-N 348.516 4.062 0 50 EIAA Cc1nc(COc2ccccc2/C=C/C(=O)OC2CC(C)C2)cs1 2325737701 AFZPLNAATWSYRW-BQYQJAHWSA-N 343.448 4.385 0 50 EIAA COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2o1 97791 XFUFXCJKHVYTNM-UHFFFAOYSA-N 348.811 4.221 0 50 EIAA CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 250163 RZJSRBWZZRNCTP-CQSZACIVSA-N 325.408 4.057 0 50 EIAA O=C(CSCc1ccccc1Br)Nc1ccccc1 443742 CSGOOKYCKHWZMV-UHFFFAOYSA-N 336.254 4.321 0 50 EIAA CCOc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1 485064 AUWAXOUXXJNYCC-UHFFFAOYSA-N 327.405 4.039 0 50 EIAA O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccccc1F 1163403 DWPRIHPQISOLGV-UHFFFAOYSA-N 343.423 4.206 0 50 EIAA Cc1cc(Br)cc(C)c1NC(=O)COc1ccccc1 1206554 AZPQMAMOGDUMAP-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA Cc1ccc(-c2csc3ncnc(SCCC(=O)O)c23)cc1 1465628 RAOULLCLLOGTDA-UHFFFAOYSA-N 330.434 4.234 0 50 EIAA in-vitro COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 1752678 BUDQQLVTQBQGFA-UHFFFAOYSA-N 340.301 4.367 0 50 EIAA Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 2837636 FZKTTXBSIBLNJJ-UHFFFAOYSA-N 336.254 4.488 0 50 EIAA O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 3064248 WSLZDTPFOQFMDU-UHFFFAOYSA-N 340.593 4.376 0 50 EIAA CSc1nsc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1 4488440 RNBPYJSLODTDQU-ZETCQYMHSA-N 345.902 4.033 0 50 EIAA O=C(O)C[C@H](NC(=O)c1cccs1)c1ccc(Cl)cc1Cl 4743418 GCKPWUAZSXJRCC-NSHDSACASA-N 344.219 4.001 0 50 EIAA CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 4814310 RAJQZYGWFTTXRX-UHFFFAOYSA-N 343.423 4.159 0 50 EIAA O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)Oc1ccccc1 4866558 QGZVPLWJIHVILR-UHFFFAOYSA-N 338.407 4.360 0 50 EIAA CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCC 7538526 FYIKCRFVOKEWLD-UHFFFAOYSA-N 349.858 4.436 0 50 EIAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2)cc1C 11668139 OXKZQQAKJOGENX-QGZVFWFLSA-N 343.858 4.069 0 50 EIAA CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(C)c(Cl)c1 11903310 DGVCKNFXEMPJDG-AWEZNQCLSA-N 335.860 4.256 0 50 EIAA CCCc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccccc1 12274671 ILPMKCJJGNQZMQ-UHFFFAOYSA-N 334.423 4.089 0 50 EIAA CCCNC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 12404372 MEFIPAOMZWUFCD-UHFFFAOYSA-N 331.803 4.124 0 50 EIAA CCCCOc1c(CN(C)[C@@H](C)c2cccnc2)cccc1OC 55211617 OLPFAPXUPDYJTQ-INIZCTEOSA-N 328.456 4.462 0 50 EIAA CCO[C@@H](C)CN(C)C(=O)Nc1cccc(/C=C/c2ccccn2)c1 95502030 DSUREOUEFIRLHM-PCUGXKRQSA-N 339.439 4.141 0 50 EIAA C[C@@H](c1ccc(-c2ncc(F)c(N3CCCC3)n2)cc1)N1CCCC1 97568928 MPDWILASVVQHIY-HNNXBMFYSA-N 340.446 4.040 0 50 EIAA CC[C@H]1CCCC[C@H]1N(C)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 120885476 PBFIIQNKTHMLBE-DZGCQCFKSA-N 339.439 4.070 0 50 EIAA CC(C)(C)n1ccnc1SCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 170607744 HCBLOYMADBKGCC-PJIJBLCYSA-N 349.544 4.061 0 50 EIAA O=C(Nc1ccsc1Cl)N1CCC(Oc2ccccc2)CC1 189347064 PNFMBMFAPYPEKB-UHFFFAOYSA-N 336.844 4.477 0 50 EIAA C[C@H]1C[C@H](NC(=O)N2CCCC3(CCCCC3)CC2)c2nccn21 334068631 FLLWWHBCZOZJJG-HOTGVXAUSA-N 330.476 4.035 0 50 EIAA COc1cccc([C@H](C)NC(=O)c2ccc3nc(C)sc3c2)c1 345677381 PWWPQBGVZZTWCB-NSHDSACASA-N 326.421 4.104 0 50 EIAA O[C@H](c1cccs1)C1CCN(Cc2cc3ccccc3o2)CC1 952978824 YJEJIILUILDSJX-IBGZPJMESA-N 327.449 4.440 0 50 EIAA Cc1cnn(C2CCCC2)c1NC(=O)c1ccc(OC(F)F)cc1 1529112521 MJHIYEDSYDFIHN-UHFFFAOYSA-N 335.354 4.160 0 50 EIAA COC(=O)N(C)c1ccc(Oc2ccnc(-c3ccccc3)n2)cc1 1875255529 APLAZMJSXSFYGT-UHFFFAOYSA-N 335.363 4.139 0 50 EIAA O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)[C@H]1CC[C@]2(C1)CC2(F)F 2325850830 IUUQDJOBFCKIKB-WJWGPLDTSA-N 343.736 4.119 0 50 EIAA C[C@@H](OC(=O)c1cc(OCc2ccccc2)ccc1O)c1ccncc1 2325868655 FBKJKGHMDKGPHE-OAHLLOKOSA-N 349.386 4.284 0 50 EIAA Cc1ccc2cccc(OC(=O)c3ccc(Br)o3)c2n1 181725 VIASPPLZEGJRMT-UHFFFAOYSA-N 332.153 4.118 0 50 EIAA CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 250166 RZJSRBWZZRNCTP-AWEZNQCLSA-N 325.408 4.057 0 50 EIAA O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 251547 AMVWDBWXZAUHFB-AWEZNQCLSA-N 344.625 4.192 0 50 EIAA COc1ccc(C2=NN3[C@H](C)Oc4ccc(Cl)cc4[C@H]3C2)cc1 278072 WANYYFHINYYQKR-APPDUMDISA-N 328.799 4.238 0 50 EIAA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cc2ccccc2o1 359648 WBPLNJZCLOGNNW-UHFFFAOYSA-N 348.786 4.352 0 50 EIAA COc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)c1 476179 BAFSFWKSCRTVJP-UHFFFAOYSA-N 347.436 4.191 0 50 EIAA CC1(C)COC(N(C(=O)NC2CCCCC2)c2cccc(Cl)c2)=N1 528272 NHAGKSUGFUNFOL-UHFFFAOYSA-N 349.862 4.354 0 50 EIAA CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1OCC 618333 UHWQGOWQFBYLRR-UHFFFAOYSA-N 333.815 4.067 0 50 EIAA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccco1 1055015 UACPNLBKMFVBIT-UHFFFAOYSA-N 327.361 4.047 0 50 EIAA COc1ccc(NC(=O)Oc2cccc3c2OC(C)(C)C3)cc1OC 1446458 JUFFWZUMAIYDNY-UHFFFAOYSA-N 343.379 4.028 0 50 EIAA COc1ccc(Cl)cc1C(=O)NCCc1c[nH]c2ccc(C)cc12 4487693 DQMHYDJYVPYCII-UHFFFAOYSA-N 342.826 4.111 0 50 EIAA biogenic Fc1ccc(COc2ccc(Cl)cc2CNC[C@H]2CCCO2)cc1 4657496 GOLFSHFSRMRWQD-GOSISDBHSA-N 349.833 4.327 0 50 EIAA CCOC(=O)c1cnc(SC)nc1Oc1ccc2ccccc2c1 5710704 JXPFBWSUYPAISJ-UHFFFAOYSA-N 340.404 4.321 0 50 EIAA Cc1ccc2c(C)c(C(=O)N(C)CC[C@@H]3CCCCO3)oc2c1C 12476940 XWSWIKGEFDMAIP-INIZCTEOSA-N 329.440 4.389 0 50 EIAA CC(C)=CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 15068272 QBHNPVKZUXNVHN-QGZVFWFLSA-N 341.430 4.107 0 50 EIAA CC(C)c1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 15934218 YPGJQKATOSWMQA-CYBMUJFWSA-N 326.396 4.421 0 50 EIAA Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1Cl)C3 55393837 SKEGTUULKQCGKD-UHFFFAOYSA-N 341.794 4.107 0 50 EIAA aggregator CN(C(=O)c1cccc2ccccc12)[C@@H]1CCN(C2CCCCC2)C1 60106925 IOZFSRPRHQEEJI-LJQANCHMSA-N 336.479 4.319 0 50 EIAA CC(C)c1nccc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)n1 72141926 OQIAMWKSUQVCSU-MRXNPFEDSA-N 343.446 4.030 0 50 EIAA Cc1ccc(C2(C(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 82137146 FNLTTZGLDCJXKT-IBGZPJMESA-N 348.490 4.012 0 50 EIAA CC(=O)c1c(C)cc(C)c(Cn2ccc(=O)c3sccc32)c1C 153497802 MQLAXASXJHLWNM-UHFFFAOYSA-N 325.433 4.239 0 50 EIAA O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 170618167 XGKXOHCEGCXFDV-AWEZNQCLSA-N 328.418 4.394 0 50 EIAA O=C(N[C@H]1CCCc2occc21)N[C@@H]1CCCOc2cc(F)ccc21 180314177 GALHSZDLTXHLRO-JKSUJKDBSA-N 344.386 4.009 0 50 EIAA c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 229967748 PDPGROKNZXOTHB-FPOVZHCZSA-N 327.387 4.324 0 50 EIAA c1cncc(-c2nnc(CN(Cc3ccsc3)C3CCCC3)o2)c1 244887841 YPLCADCQVPWOMR-UHFFFAOYSA-N 340.452 4.138 0 50 EIAA CC[C@H]1C=CCN1C(=O)c1ccc(-c2cc(F)c(OC)c(F)c2)cc1 426497186 ITGROOPOARYXLD-INIZCTEOSA-N 343.373 4.431 0 50 EIAA Cc1ccccc1C1CCN(C(=O)N[C@@H](C)c2cscn2)CC1 661641809 VYDFXUQWFFRQTN-AWEZNQCLSA-N 329.469 4.102 0 50 EIAA CCNC(=O)c1ccc(C)c(NC(=O)c2c(F)ccc(C)c2Cl)c1 952989637 NWOUGHRFHIZMQS-UHFFFAOYSA-N 348.805 4.098 0 50 EIAA N=C1C2=C3Sc4ccccc4N3CCCC2=NN1Cc1ccccc1 1875390539 QPWVYBXIJWCUDI-UHFFFAOYSA-N 346.459 4.453 0 50 EIAA Cc1ccc(-c2ccc(C(=O)O[C@H]3C[C@H](n4ccnc4)C3)s2)o1 2325799052 PSCNEPFRMMKQCW-JOCQHMNTSA-N 328.393 4.074 0 50 EIAA Cc1cc2ncn(C[C@@H](O)COc3ccc(C(C)C)cc3)c2cc1C 242941 QYWWOYGUBPJKTG-GOSISDBHSA-N 338.451 4.216 0 50 EIAA CCOc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 471221 OOTNLLHAHDWISU-UHFFFAOYSA-N 339.313 4.122 0 50 EIAA CCCCOc1ccccc1NC(=O)COc1ccc(C)cc1C 1777475 QMWKRCOTWVGENL-UHFFFAOYSA-N 327.424 4.500 0 50 EIAA COCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807493 FGBPEHLHKHXEBA-UHFFFAOYSA-N 327.815 4.399 0 50 EIAA CCOc1cc(C=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 2866732 KBIGYOUPWWILPE-UHFFFAOYSA-N 326.392 4.415 0 50 EIAA CCCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccccc1-2 2913876 MOVORORECZRLPR-OAHLLOKOSA-N 340.408 4.137 0 50 EIAA COc1ccc2nc(-c3ccccc3)c(CN3CCCC3)c(O)c2c1 8571810 ZLUGJPBVGZDUCF-UHFFFAOYSA-N 334.419 4.212 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 9229955 YOQNFMBUHKZVGG-OAHLLOKOSA-N 340.423 4.140 0 50 EIAA OCC1(Cc2ccccc2Cl)CCN(CCc2ccccc2)CC1 11954613 RLWFNIDPTPYCJY-UHFFFAOYSA-N 343.898 4.200 0 50 EIAA COc1ccc(CC[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1 12431021 HDZRTSFYTIYKJM-MRXNPFEDSA-N 329.465 4.242 0 50 EIAA COc1cc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)ccc1F 15068983 STTWHEQTBDYACW-QGZVFWFLSA-N 332.394 4.050 0 50 EIAA CC(=O)c1cn(CC(=O)NC2CCCCCCC2)c2ccccc12 32103230 BAZHPTUBHNTDIW-UHFFFAOYSA-N 326.440 4.073 0 50 EIAA O=c1oc(-c2ccccc2Br)nc2cccc(Cl)c12 53297420 WXWVDINGZQKMMS-UHFFFAOYSA-N 336.572 4.271 0 50 EIAA COC[C@H](C)C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 55253157 JKKMFFOFMQGERC-SIHNGCNOSA-N 333.516 4.114 0 50 EIAA c1coc(CN2CC[C@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)c1 65394766 MJLQMEAUYOBOJV-KRWDZBQOSA-N 348.402 4.060 0 50 EIAA COc1ccccc1Oc1ncccc1CN[C@@H](C)CC(F)(F)F 67818378 HOTPYSOOEFFSNY-LBPRGKRZSA-N 340.345 4.313 0 50 EIAA Cc1cc(C)c(CN2CCC3(CC2)Nc2ccccc2NC3=O)cc1C 82139173 NKKLNMIFSFFUQV-UHFFFAOYSA-N 349.478 4.011 0 50 EIAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2csc(N(C)C)n2)C1 91769286 GGQNLSBZMPDDIP-SFHVURJKSA-N 335.517 4.084 0 50 EIAA CCCC[C@@H]1C=CCN1C(=O)Nc1cc(NC(=O)CC)ccc1F 97743478 BUVJQACLODSKPX-CQSZACIVSA-N 333.407 4.137 0 50 EIAA O=C(Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1cc(F)cc(F)c1 225744598 AYRKLROBZIUZDL-LRDDRELGSA-N 328.362 4.206 0 50 EIAA Cc1ccc(-c2nnc([C@H](C)N3CCC[C@@H](C(F)(F)F)C3)o2)cc1 229178468 KCYLWFYTAFHEDH-GXTWGEPZSA-N 339.361 4.380 0 50 EIAA Cc1ccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)c(C)c1 252483550 FEPFZLQPEZJDIS-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1scnc1-c1ccccc1 252523249 CEKQRIMBSBQBJH-SJCJKPOMSA-N 336.416 4.313 0 50 EIAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CCCC2(CCOCC2)C1 374184612 UXVKWIKHZTURBN-UHFFFAOYSA-N 332.419 4.128 0 50 EIAA CN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2cccc(F)c2F)cc1 426661376 SJBHONBTIQFUPC-INIZCTEOSA-N 345.389 4.273 0 50 EIAA CO[C@H]1CCCN(c2ccnc3cc(OC(F)(F)F)ccc23)CC1 899877325 RJMHLGGYHZCNAH-LBPRGKRZSA-N 340.345 4.139 0 50 EIAA Cc1cc([C@H]2CCCN(C(=O)c3ccc(Cl)c4occc34)C2)n[nH]1 935853143 XESUAWOWPCVSSW-LBPRGKRZSA-N 343.814 4.138 0 50 EIAA CCCCN(Cc1cccc(Cl)c1)Cc1[nH]cc(C)c(=O)c1C 1529100731 YKPSPIKXQORONK-UHFFFAOYSA-N 332.875 4.447 0 50 EIAA CCn1nc(C)cc1CNc1ccc(-c2cn3ccccc3n2)cc1 1875329029 ZQMWMNXDEINFOB-UHFFFAOYSA-N 331.423 4.138 0 50 EIAA CCOc1ccccc1OCC(=O)Nc1cc(C)c(Cl)cc1OC 145314 XZQYMQRRIJNZPI-UHFFFAOYSA-N 349.814 4.073 0 50 EIAA COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(Cl)c1 241406 FQPHHUOPTPQYHX-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCOC(=O)c1c(C)oc2ccc(OCC(=O)c3ccccc3)cc12 407130 SECHRNUZPXSIHB-UHFFFAOYSA-N 338.359 4.180 0 50 EIAA biogenic Cc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 460341 IEIDZNGIOMLVRZ-UHFFFAOYSA-N 336.435 4.310 0 50 EIAA CCCOc1ccc(/C=C/C(=O)Nc2nnc(C(C)C)s2)cc1 1778054 OCLFLVZWHBMECU-JXMROGBWSA-N 331.441 4.102 0 50 EIAA CCOCCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 2178111 NVXJONJLJBARJK-UHFFFAOYSA-N 333.859 4.435 0 50 EIAA OCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 2862248 WBGGNOZILOTQSC-UHFFFAOYSA-N 341.838 4.154 0 50 EIAA CCCCOC(=O)C(C(=O)OCCCC)c1nc2ccccc2s1 3107021 QGSHJLCNZLNFRV-UHFFFAOYSA-N 349.452 4.067 0 50 EIAA CCCCc1ccc(-c2csc(NC(=O)OC)c2C(N)=O)cc1 4802152 IECGQKXISFNNNZ-UHFFFAOYSA-N 332.425 4.035 0 50 EIAA O=c1c(Oc2ccccc2F)c(C(F)(F)F)oc2cc(O)ccc12 6557535 BHKGZFCTXDOADQ-UHFFFAOYSA-N 340.228 4.449 0 50 EIAA O=C(c1cccs1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 11784553 WLBBZCCGBGZFKW-UHFFFAOYSA-N 337.448 4.158 0 50 EIAA CCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 13325781 SBHYBHYVRNCHRH-UHFFFAOYSA-N 332.709 4.470 0 50 EIAA CC[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1 36563200 HPQBCMJFIZDZEK-VQTJNVASSA-N 339.435 4.126 0 50 EIAA CC(C)c1cc(C2CCN(C(=O)c3nc(C(C)C)cs3)CC2)[nH]n1 67868072 LOJIKEWJHWABQU-UHFFFAOYSA-N 346.500 4.133 0 50 EIAA Cn1c([C@@H]2CCCN2C(=O)c2ccc(Cl)s2)nc2ccccc21 68002928 NWZSEYAVYXXUBK-ZDUSSCGKSA-N 345.855 4.266 0 50 EIAA CC(C)(C)c1cc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)[nH]n1 77298295 OVGPLHLBTVJTAE-INIZCTEOSA-N 341.434 4.060 0 50 EIAA Cc1cccc(OC2CN(C(=O)c3[nH]c4c(C)cc(C)cc4c3C)C2)c1 91616777 XXJPRPWUAFGXSD-UHFFFAOYSA-N 348.446 4.305 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3nc(C)no3)oc2c1 91625602 ANHOTPGBIKUZPR-OAHLLOKOSA-N 339.395 4.108 0 50 EIAA COCC[C@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)ccc1OC 95501477 HUVUSRZOUGBEGE-MRXNPFEDSA-N 348.487 4.416 0 50 EIAA O=C(Nc1ccc(-n2ccnc2)cc1)c1cc(F)c(Cl)cc1F 134359417 FSGUQKSBZPZOJF-UHFFFAOYSA-N 333.725 4.056 0 50 EIAA Cc1ccc(SCC(F)(F)F)c(NC(=O)Nc2[nH]ncc2C)c1 170617006 GQKWGSGVFJXHIZ-UHFFFAOYSA-N 344.362 4.325 0 50 EIAA O=C([C@H](c1ccccc1)C1CC1)N1CCC(OCc2ccccc2)CC1 179558116 YFUZGNDXRCDGRL-JOCHJYFZSA-N 349.474 4.388 0 50 EIAA CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O 242196984 XGRVPMCVBKYGMQ-MIZPHKNDSA-N 347.458 4.287 0 50 EIAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc2cc[nH]c2c1 253396378 BBEAISXQNUXXHY-GOSISDBHSA-N 329.403 4.457 0 50 EIAA biogenic c1nc(N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c2sccc2n1 288702303 BXUIDDMTFHUEQH-CYBMUJFWSA-N 341.440 4.073 0 50 EIAA Cc1ccc(NCc2cccc(O)c2Cl)cc1C(=O)N(C)C(C)C 293296925 PFIFWDOWUUVNJY-UHFFFAOYSA-N 346.858 4.447 0 50 EIAA c1ccc2c(-c3nc4cccnc4n3C3CCNCC3)cccc2c1 299791150 CDMHLEHZBHKPHB-UHFFFAOYSA-N 328.419 4.176 0 50 EIAA O=C(Cc1cc2c(ccc3ccccc32)o1)N1CC[C@H]([C@H]2CCOC2)C1 366853043 JDRCQJWZQAQAPX-IRXDYDNUSA-N 349.430 4.014 0 50 EIAA O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1Cc2ccc(O)cc2C2(CC2)C1 462551557 KPYUOHCVAPHJBK-ATZDWAIDSA-N 339.479 4.373 0 50 EIAA COCc1ncsc1C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 671225379 REXNSTVCXJSIPC-HNNXBMFYSA-N 344.480 4.123 0 50 EIAA Cc1cc([C@H]2CCCN2C(=O)c2cccc(Oc3ccccn3)c2)on1 864883913 FBXQZZWTFWVOSD-QGZVFWFLSA-N 349.390 4.148 0 50 EIAA CCO[C@H](CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)C1CC1 1191928622 MCTJMLLIUNBGAA-HXUWFJFHSA-N 328.431 4.211 0 50 EIAA Cc1cccc(NC(=O)CC(=O)N2CCCCC[C@@H]2c2ccco2)c1 1506414720 RGHUTBDZAWATBP-QGZVFWFLSA-N 340.423 4.061 0 50 EIAA O=C(Nc1ccc(OC2CCCCC2)cc1)N1CCc2ncccc21 1875340957 AKTFUWIOAYXAHV-UHFFFAOYSA-N 337.423 4.388 0 50 EIAA C[C@H]1c2c[nH]nc2CC[C@H]1C(=O)OCc1ccc(C(C)(C)C)cc1 2325854450 FBQZCGKFPXYHSY-CZUORRHYSA-N 326.440 4.117 0 50 EIAA O=C(Nc1ccc(OCCn2ccnc2)cc1)c1cccc(C2CC2)c1 2325855615 IBZUSGSBOKANQX-UHFFFAOYSA-N 347.418 4.092 0 50 EIAA C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 36285 ANKXDSLWSFYJSK-HXOBKFHXSA-N 343.426 4.291 0 50 EIAA Cc1ccccc1NC(=O)CSc1ccc(Br)cc1 361560 OURXGFMJBPCVLO-UHFFFAOYSA-N 336.254 4.488 0 50 EIAA COC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C 581797 PQHCZCCTXLOMKW-UHFFFAOYSA-N 325.408 4.331 0 50 EIAA O=C(Nc1ccc(F)cc1F)OCCOc1ccccc1Cl 2142449 IKQOJZLJOWHZBG-UHFFFAOYSA-N 327.714 4.246 0 50 EIAA CCCCOc1ccccc1NC(=O)c1ccc(Br)o1 2610063 TVIJOVFEWFWTOW-UHFFFAOYSA-N 338.201 4.473 0 50 EIAA Cc1cccc(C)c1NC(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C 2796429 BHADTUSXOBESIN-GFCCVEGCSA-N 339.361 4.102 0 50 EIAA COc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)c(OC)c2)n1 5008612 CCSUQPYCEAMTCO-UHFFFAOYSA-N 336.391 4.145 0 50 EIAA COc1cccc(-c2noc(COc3ccc4ccccc4c3)n2)c1 6729878 XTEPKKTVNBBTMH-UHFFFAOYSA-N 332.359 4.477 0 50 EIAA CCn1nc(C)c(CCN(C)C(=O)Nc2cc(Cl)ccc2C)c1C 8609070 UFONFPQZXVKYJC-UHFFFAOYSA-N 348.878 4.188 0 50 EIAA Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCc3ccco3)nc2C1 10156895 WVJOLRDENPAOME-HNNXBMFYSA-N 347.418 4.211 0 50 EIAA COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)C(C)C)on2)cc1 12120241 MJQMHTDBZOUNQK-SFHVURJKSA-N 342.439 4.450 0 50 EIAA Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 16604040 KOZUOPPDYFIHJV-UHFFFAOYSA-N 336.435 4.182 0 50 EIAA OC1=NC(=S)S/C1=C\c1c[nH]c2ccc(Br)cc12 20119447 NMPUBLCCXWRDAV-KMKOMSMNSA-N 339.239 4.260 0 50 EIAA CC(C)(C)OC(=O)N1CC(Sc2cccc(Br)c2)C1 39325920 XPQDPMFUBASWFD-UHFFFAOYSA-N 344.274 4.161 0 50 EIAA c1ccc(CN(Cc2nccs2)Cc2cccc3c2OCO3)cc1 55154998 RQIPXUIKYPKJBA-UHFFFAOYSA-N 338.432 4.074 0 50 EIAA Cc1occc1C(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 77418956 FFRLTCZZMVAVJH-LJQANCHMSA-N 326.440 4.017 0 50 EIAA CCc1ccc(NC(=O)c2ccc(Oc3ccc(C)nn3)cc2)cc1 82230677 CQDZRXVSMZUYOP-UHFFFAOYSA-N 333.391 4.392 0 50 EIAA O=C(OCc1ccccc1)c1nn(Cc2ccccc2)c2ccccc12 90624601 PBFSDBVIGNCTEE-UHFFFAOYSA-N 342.398 4.442 0 50 EIAA in-vitro Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@@H](C)c1cccs1 153594535 ZUZWTCFFYNLICA-AWEZNQCLSA-N 337.448 4.347 0 50 EIAA CC(C)[C@H]1CCCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 170627040 KPLCZTHZCYHJSP-AWEZNQCLSA-N 328.412 4.083 0 50 EIAA Fc1cc(Cl)cc(Cl)c1NCc1noc(C2CCOCC2)n1 180872335 OBZRWGPGUYEXAF-UHFFFAOYSA-N 346.189 4.022 0 50 EIAA CC(C)CN1Cc2cccc(NC(=O)c3coc(C4CCC4)n3)c2C1 192801041 RKQWXRBXHYPZPB-UHFFFAOYSA-N 339.439 4.166 0 50 EIAA Cc1ccc(Nc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1 243166679 JSJWAMADOPUPRJ-UHFFFAOYSA-N 346.434 4.032 0 50 EIAA CCCN(Cc1cc(F)cc2cccnc12)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252671904 ONZUQFBMUYPLNC-DFQSSKMNSA-N 342.458 4.399 0 50 EIAA CN(CCCc1ccccc1)C(=O)C1CCC(C(F)(F)F)CC1 278354642 WHORQVYWMYYQDT-UHFFFAOYSA-N 327.390 4.446 0 50 EIAA O=C(c1ccccc1NCc1cnc2ccccc2c1)N1CCCCC1 296132680 VXMDZDGAEFWEIW-UHFFFAOYSA-N 345.446 4.473 0 50 EIAA C[C@@H](CN[C@H](C)c1cc(O)ccc1F)c1nc(-c2ccccc2)no1 872051609 LXYPJKLBHALTJJ-QWHCGFSZSA-N 341.386 4.036 0 50 EIAA Cc1cc2c(c(C(=O)N3CC4(CCCC4)[C@@H]3c3ccco3)c1)OCC2 1875405119 TXELVJZULATMBQ-IBGZPJMESA-N 337.419 4.280 0 50 EIAA CCOc1ccccc1-c1nc(-c2ccc(Br)o2)no1 118321 LKOHHMHVCWUQFM-UHFFFAOYSA-N 335.157 4.158 0 50 EIAA FC(F)(F)c1cc(C(F)(F)F)n2ncc(-c3ccccc3)c2n1 310051 QGZOMUVIDLHZOE-UHFFFAOYSA-N 331.219 4.434 0 50 EIAA COC(=O)c1ccc(COC(=O)c2ccccc2-c2ccccc2)cc1 471629 BPIJLZMOHOCXCX-UHFFFAOYSA-N 346.382 4.497 0 50 EIAA CC1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 558371 IEKPIIBVZKPRHN-UHFFFAOYSA-N 335.662 4.232 0 50 EIAA CCCC(=O)Nc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 619914 UQUXDAOSMNFCHF-MRXNPFEDSA-N 338.451 4.176 0 50 EIAA Cc1ccc(Cl)c(OCCCCn2cnc3ccccc3c2=O)c1 5077770 BBDCZJUZHMONEU-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O 5686280 GACSXBPWZFKEQE-UHFFFAOYSA-N 338.359 4.155 0 50 EIAA biogenic C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCCCC2)cc1 10449944 OGAFCYZWJALSLH-QGZVFWFLSA-N 334.463 4.264 0 50 EIAA COc1ccc(-c2cn3c([n+]2-c2ccc(C)cc2)CCCCC3)cc1 15952967 PAPMAGPVCPSESQ-UHFFFAOYSA-N 333.455 4.475 0 50 EIAA CC[C@@H](C)N(Cc1cccnc1)Cc1ccc(OC)c(COC)c1 55369417 FAARIDCMXSNDCL-MRXNPFEDSA-N 328.456 4.037 0 50 EIAA Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1CCN1CCCC1 82106815 LEZYGMUPRHFGPW-KRWDZBQOSA-N 334.891 4.129 0 50 EIAA FC1(F)CCN(c2ccc(C(F)(F)F)cc2Br)C1 169725675 FMXIXEFFLZVLQI-UHFFFAOYSA-N 330.094 4.313 0 50 EIAA Cc1cc2[nH]ncc2cc1NC(=O)Cc1nc(-c2ccccc2)oc1C 170611491 SGLDLYVKEAVYOD-UHFFFAOYSA-N 346.390 4.016 0 50 EIAA O=C(c1cnc2ccccc2c1)c1cccc(Br)c1F 170622783 CSIJBYCKQXRVCG-UHFFFAOYSA-N 330.156 4.367 0 50 EIAA Cc1ccc(NC(=O)c2cnc(-c3ccncc3)s2)c2cccnc12 172740800 QWBUJIXTJBRYAB-UHFFFAOYSA-N 346.415 4.314 0 50 EIAA O=C(c1cccc(-c2ccoc2)c1)N1CCCN(C2CCCC2)CC1 179069138 YOPROKYAJQLGFC-UHFFFAOYSA-N 338.451 4.037 0 50 EIAA CN(Cc1ccc2c(c1)CC(C)(C)O2)Cc1cc(-c2ccncc2)no1 215343454 QKRAAYYSYMVSJE-UHFFFAOYSA-N 349.434 4.082 0 50 EIAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 248246573 MKXGCYXVFZXYOM-AJNGGQMLSA-N 341.373 4.036 0 50 EIAA CN(Cc1ccc2c[nH]nc2c1)[C@@]1(c2ccccc2)CCCCC1=O 660367358 LCPIWUWJZJZAOE-OAQYLSRUSA-N 333.435 4.033 0 50 EIAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)ccn1 935124867 PQUCFNSAYOPGBX-IBGZPJMESA-N 346.434 4.066 0 50 EIAA Cc1ccc(N2CCC(NCCCc3ccccn3)CC2)cc1Cl 1506428889 QRNBHLINMHAIOG-UHFFFAOYSA-N 343.902 4.235 0 50 EIAA CCCCc1ccc(C(=O)N2CCC(c3ccnc(O)c3)CC2)cc1 1772807893 VLSXMWVOTYDENC-UHFFFAOYSA-N 338.451 4.150 0 50 EIAA OC[C@H]1CCC[C@@H](n2ccnc2-c2nc(-c3ccccc3)cs2)C1 1857727271 OPLUWULWJJYEJP-GOEBONIOSA-N 339.464 4.397 0 50 EIAA Fc1ccccc1-c1cccc(CNCCc2nc(C3CC3)no2)c1 1875290964 JZKPAKRNHYOZSQ-UHFFFAOYSA-N 337.398 4.085 0 50 EIAA c1cc([C@H]2CC23CCC3)ccc1-c1ccc(CN2CCNCC2)s1 1875304831 WKLZLQGQQQUYJA-LJQANCHMSA-N 338.520 4.478 0 50 EIAA COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(O)c(C(C)(C)C)c1 1875362655 OEHRDLUZVWBFHG-KRWDZBQOSA-N 339.435 4.116 0 50 EIAA C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)c1cccc2cnccc12 2325713449 OIIBRCVFZZCJKF-ZDUSSCGKSA-N 340.373 4.264 0 50 EIAA Cc1ncn(-c2ccc(NC(=O)[C@]3(F)C[C@H]3c3ccccc3)cc2)c1C 2325840665 KPLCYUPHLKNZMM-FPOVZHCZSA-N 349.409 4.323 0 50 EIAA Cc1ccc(C(=O)N[C@H](Nc2ccccc2)C(=O)c2ccccc2)cc1 226894 ILUGIZKYCSYFEB-NRFANRHFSA-N 344.414 4.046 0 50 EIAA O=C(Nc1ccc(SC(F)F)cc1)c1cc2ccccc2oc1=O 351914 QUGFHLZHHYZDKR-UHFFFAOYSA-N 347.342 4.360 0 50 EIAA Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c1C 413858 MXCCJNYQNHSQIC-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA Cc1ccc(C)c(NC(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)O)c1 4828038 CGIKGPLGAGWVRV-HNNXBMFYSA-N 345.826 4.229 0 50 EIAA COc1ccccc1/C=C/CN1CCN(c2cccc(Cl)c2)CC1 4980870 HNXIOEPDMRTNKL-FNORWQNLSA-N 342.870 4.184 0 50 EIAA C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccccc1Br 13746464 DIGUFAHLVZBLOU-LLVKDONJSA-N 331.213 4.432 0 50 EIAA Nc1c2c(nc3ccc(Br)cc13)N(c1ccccc1)CC2 18276089 DNFFJORSUVCABG-UHFFFAOYSA-N 340.224 4.274 0 50 EIAA CC[C@@H](C)NC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C 20573020 WKDYJNKUFDJADV-LLVKDONJSA-N 334.851 4.122 0 50 EIAA Fc1cccc(Cc2noc(CCCc3c[nH]c4ccccc34)n2)c1 32592921 IQNMPGDNKYVYMS-UHFFFAOYSA-N 335.382 4.456 0 50 EIAA CCCN(CCC)Cc1ccc(C(=O)N(C)[C@H](C)c2ccon2)cc1 55358068 BIIKFYFNCYOFCH-MRXNPFEDSA-N 343.471 4.130 0 50 EIAA CC(C)C(=O)c1ccc(-c2ccccc2CN2CCOCC2)s1 65383822 ZOOZJCYZCRGWAJ-UHFFFAOYSA-N 329.465 4.086 0 50 EIAA Cc1ccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc1 67673610 DKCPAKHOQAFARJ-FCHUYYIVSA-N 345.442 4.139 0 50 EIAA CCc1nc(C)sc1CN1CCC[C@H](C(=O)Cc2ccccc2)C1 72155008 CUDOUXAKMOTBEG-KRWDZBQOSA-N 342.508 4.038 0 50 EIAA CN(C(=O)c1c[nH]nc1-c1cccs1)[C@H]1CCCc2ccccc21 77377790 DNTOQJMPCQCPDS-INIZCTEOSA-N 337.448 4.288 0 50 EIAA Cc1cnc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)o1 127963186 LDLYLLBMVHRXPM-GOSISDBHSA-N 328.799 4.330 0 50 EIAA Cc1c(Cl)cccc1-n1ccnc1SCCCc1cn[nH]c1 170635890 BSGRIOHZSIWOTP-UHFFFAOYSA-N 332.860 4.282 0 50 EIAA COc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2csc(C)n2)c1C 239367111 AHNLKIGTFIVKHJ-MRXNPFEDSA-N 345.468 4.446 0 50 EIAA CC(C)Cc1nc(-c2nc([C@H]3CCOc4ccccc43)no2)cs1 356556862 ZQDWNBNFSCARIO-ZDUSSCGKSA-N 341.436 4.306 0 50 EIAA Cn1cc(CC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cn1 408512849 CFRFKYOFXCLAMI-UHFFFAOYSA-N 343.789 4.061 0 50 EIAA Cc1ccsc1CN(C)C(=O)Cc1ccccc1C(F)(F)F 549193353 ZFJPECFOBMXZSG-UHFFFAOYSA-N 327.371 4.276 0 50 EIAA COc1cccc2ccc(CN3CCC[C@@]4(CCC[C@H]4OC)C3)nc12 1704341464 SNBRRUQSISKVDU-CTNGQTDRSA-N 340.467 4.025 0 50 EIAA C=CC(=O)Nc1cccc(-c2ccnc3c(-c4ccccc4)cnn23)c1 1775997295 FHPHXXQKPBTWSY-UHFFFAOYSA-N 340.386 4.188 0 50 EIAA Fc1cc(C(F)F)cnc1N1CC2(CC(OCc3ccccc3)C2)C1 1875404303 DGMVDOWUFSKWKA-UHFFFAOYSA-N 348.368 4.344 0 50 EIAA O=C(OCc1cc2ccncc2s1)c1cc(Cl)c2n[nH]cc2c1 2325824119 PVSLJEJTWUDWIM-UHFFFAOYSA-N 343.795 4.183 0 50 EIAA Nc1nc2ccccc2nc1N[C@@H]1CCSc2c(F)cccc21 2325826527 DVHLWCRZNUIYHN-GFCCVEGCSA-N 326.400 4.000 0 50 EIAA O=c1c2cc(-c3ccccc3)sc2ncn1CCOc1ccccc1 150930 PFDXQVFXQFMBQN-UHFFFAOYSA-N 348.427 4.204 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)cc1 233417 ZLJCMCLDLPNXDL-INIZCTEOSA-N 336.435 4.262 0 50 EIAA CCOC(=O)[C@H]1CCCCN1Cc1cccc(Oc2ccccc2)c1 293644 RIWWOJCZCXFRRY-HXUWFJFHSA-N 339.435 4.397 0 50 EIAA COC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 475953 XVNLRSYWIAPBMJ-VGOFMYFVSA-N 337.419 4.423 0 50 EIAA Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 4775951 KBTTZNCJIWGRFI-UHFFFAOYSA-N 346.308 4.317 0 50 EIAA S=c1[nH]nc(Cc2noc3ccccc23)n1-c1ccc(Cl)cc1 5757294 QLOIXBFEJTXUNY-UHFFFAOYSA-N 342.811 4.315 0 50 EIAA O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccccc2F)no1 6872735 IOCIXXPKJYTWTO-UHFFFAOYSA-N 332.718 4.092 0 50 EIAA Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 11844616 VJVNEDOTHFQMRN-AWEZNQCLSA-N 348.393 4.055 0 50 EIAA O[C@@H](CNC1CCCCC1)COc1ccccc1-c1ccccc1 12420033 UNLDFROGRAIZON-IBGZPJMESA-N 325.452 4.016 0 50 EIAA c1cn(Cc2cscn2)c(C2CCN(CC3CCCCC3)CC2)n1 92022720 BUVIUQVHPSPLCR-UHFFFAOYSA-N 344.528 4.148 0 50 EIAA O=C(Nc1ccccc1C(F)(F)F)N1CCCC2(CCOCC2)C1 95503993 SFVPWZIWVSMYPY-UHFFFAOYSA-N 342.361 4.130 0 50 EIAA C[C@@H](c1ccc(C(=O)N(C)Cc2ccsc2)o1)N1CCCCC1 97730094 UUQRQUPYSJUFEQ-AWEZNQCLSA-N 332.469 4.160 0 50 EIAA Fc1ccc(-c2csc(N3CCC[C@@H](c4cn[nH]c4)C3)n2)cc1 126678831 MOUWHDHJLONSJS-CYBMUJFWSA-N 328.416 4.056 0 50 EIAA O=C(c1ccc(Cl)s1)N1CCC[C@H]1C[C@H](O)c1cccs1 176224174 BDBDIFWJGBUZGN-QWRGUYRKSA-N 341.885 4.191 0 50 EIAA CNC(=O)c1ccc(Cl)c(NC(=O)c2csc3ccccc23)c1 193315250 IPPCCVGTZJPOFB-UHFFFAOYSA-N 344.823 4.167 0 50 EIAA COc1cc(OC)c(CN(C)[C@H](C)Cc2cc(C)ccn2)cc1Cl 215476008 GATTZLHVYIIXIE-CQSZACIVSA-N 348.874 4.124 0 50 EIAA Cc1ccc(OCCCC(=O)NC[C@H]2CCCC(F)(F)C2)cc1 225707483 VQQLTYGLDCXIBB-HNNXBMFYSA-N 325.399 4.096 0 50 EIAA Cc1ccc([C@@H]2OCCC[C@H]2CN[C@H](C)c2ccncc2F)cc1 240757073 HWCXYQUEZXKCGI-SYNHAJSKSA-N 328.431 4.348 0 50 EIAA Cc1nc([C@@H](C)NC(=O)Cc2ccccc2C(F)(F)F)c(C)s1 299786516 LGZAXCGYBSHOTD-SECBINFHSA-N 342.386 4.199 0 50 EIAA CNc1ccc(Cl)c(C(=O)Nc2cc(C3CCCCC3)nn2C)c1 332652355 KPCKIXMBSWBGRI-UHFFFAOYSA-N 346.862 4.415 0 50 EIAA Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1c(C)n[nH]c1C 390040499 CFMYYTDREFZJEN-UHFFFAOYSA-N 330.432 4.294 0 50 EIAA CCCc1nc(CN(C)C(=O)c2ccc(-c3cccs3)cc2)no1 426506829 PDAOJVNGVJJETR-UHFFFAOYSA-N 341.436 4.023 0 50 EIAA Cn1cncc1-c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 426563121 SJFCMJWRKMQBLR-HXUWFJFHSA-N 345.446 4.107 0 50 EIAA COC(=O)c1ccc2c(c1)NC[C@@H](c1ccc(Cl)cc1Cl)O2 498050550 NDPLWEVRTZYPAT-HNNXBMFYSA-N 338.190 4.326 0 50 EIAA Cn1ncc(CNCc2ccc(Cl)c(C(F)(F)F)c2)c1C1CC1 895766094 AMDHZHHGRNJKPU-UHFFFAOYSA-N 343.780 4.260 0 50 EIAA C[C@@H](NC1=NCCN1Cc1ccccc1)c1ccc2ccccc2c1 2325864292 LNMCYSUOQFCVOM-QGZVFWFLSA-N 329.447 4.362 0 50 EIAA O=C(NCCc1ccc2occc2c1)N[C@H]1C[C@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3 2325879834 JJRDFYAWCKCORT-FQQAFBJJSA-N 338.451 4.099 0 50 EIAA COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1OC 266742 CVEHNQOUYGCTGX-UHFFFAOYSA-N 337.375 4.118 0 50 EIAA CC(C)CC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 322904 RHDDMFSJDMVSAE-UHFFFAOYSA-N 344.267 4.420 0 50 EIAA Cc1ccccc1N1CCN(C(=S)c2ccc(Cl)cc2)CC1 443454 ICRHUACNAMFBAF-UHFFFAOYSA-N 330.884 4.146 0 50 EIAA COc1cccc2cc(C(=O)c3ccc(Br)cc3)oc12 1392928 WURCOFHXXRXUMU-UHFFFAOYSA-N 331.165 4.435 0 50 EIAA CCOc1cc(CN2CCC(Cc3ccccc3)CC2)ccc1O 3684161 DARSOXDQJUTIKL-UHFFFAOYSA-N 325.452 4.246 0 50 EIAA Cc1ccc(C)c([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)c1 10543941 HIWSPZXEFXBIGC-AWEZNQCLSA-N 337.872 4.137 0 50 EIAA CN(CCCC1CCCC1)Cc1nc(Cc2cccc(F)c2)no1 12091827 GZWPLYSQFXHULT-UHFFFAOYSA-N 331.435 4.202 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)NCC[C@H]3CCCCO3)c(C)c2c1 15068342 ONGZHCXCMBZZGQ-CYBMUJFWSA-N 335.831 4.392 0 50 EIAA CC(C)c1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1 16580418 RHVZLMSQZTVXEP-CQSZACIVSA-N 325.408 4.072 0 50 EIAA c1ccc(CN2CCN(CCOc3cccc4ccccc34)CC2)cc1 20118117 OYICGQBIZLMSGL-UHFFFAOYSA-N 346.474 4.036 0 50 EIAA CC[C@@H](C)CCNC1CCN(c2ccc(-n3ccnc3C)cc2)CC1 48371809 KPVGIFRSSADMAI-QGZVFWFLSA-N 340.515 4.175 0 50 EIAA COc1ccc(C2(C(=O)N(C)[C@@H](C)c3ccccn3)CCCC2)cc1 67757623 FFWWGLPFQAKBPK-INIZCTEOSA-N 338.451 4.122 0 50 EIAA Cc1c(Cl)ccc(NC(=O)N2CCC[C@@H](N(C)C)CC2)c1Cl 96137397 JECWQNZZQKTGMW-GFCCVEGCSA-N 344.286 4.250 0 50 EIAA C[C@H](c1ccc(C(=O)N2CCc3ccccc3C2)o1)N1CCCCC1 102539629 CFUFSLQOLJGFOH-MRXNPFEDSA-N 338.451 4.025 0 50 EIAA Cn1c(C(=O)N2CCC[C@@H]2c2ccncc2)ccc1-c1ccccc1 173026412 FHXSDKCANZMPDS-LJQANCHMSA-N 331.419 4.064 0 50 EIAA O=C(NCc1ccccc1-n1ccnc1)c1c(Cl)cccc1Cl 176786276 VVPDCLHGWNRNPP-UHFFFAOYSA-N 346.217 4.109 0 50 EIAA CC1(C)C[C@H](NC(=O)N[C@H](c2ccccc2)c2ccco2)C(C)(C)O1 182249606 WMYAZMGFIKNYLS-DLBZAZTESA-N 342.439 4.014 0 50 EIAA Cc1cc(C)c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)o1 186745706 CHSUGTULHVDTCW-UHFFFAOYSA-N 338.329 4.027 0 50 EIAA O=C(c1csc(CCc2ccccc2)n1)N1C[C@H]2CCC[C@@H](C2)C1 253419173 CBVCJAGJBLJECP-IRXDYDNUSA-N 340.492 4.191 0 50 EIAA Cc1nc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)sc1C 263588490 UTOHHDAOGJDYQW-AWEZNQCLSA-N 331.466 4.241 0 50 EIAA Cc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c2c(C(C)C)noc2n1 291136399 OPRSNGMAZXUKNE-QGZVFWFLSA-N 339.439 4.059 0 50 EIAA Cc1cccc([C@H](NC(=O)CCc2ccccc2Cl)C2CC2)n1 299802482 WZHDVWCXLLJRTK-LJQANCHMSA-N 328.843 4.244 0 50 EIAA Clc1ccc2nc([C@H]3CCCN3c3nc(C4CC4)ns3)[nH]c2c1 330282571 VMMLGHPSZHIGBR-CYBMUJFWSA-N 345.859 4.287 0 50 EIAA O=C(NC12CCC(CC1)C2)c1cc(-c2ccccn2)nc2ccccc12 791139638 KEZMDYTXSMRMCM-UHFFFAOYSA-N 343.430 4.359 0 50 EIAA CC(C)C[C@@H](NC(=O)c1cc(-c2ccccc2)no1)c1cccnc1 821003993 KDWPZCCBGOCORW-QGZVFWFLSA-N 335.407 4.254 0 50 EIAA CC[C@H](C)Oc1ccccc1CN1CCC(c2ccnc(O)c2)CC1 1772808525 SMXDAZVLVKJQFX-INIZCTEOSA-N 340.467 4.344 0 50 EIAA c1ccc(-c2ncc(-c3nccn3C[C@H]3CCCOC3)s2)cc1 1857692821 VZOVMXUXUACRMH-CQSZACIVSA-N 325.437 4.100 0 50 EIAA CCc1n[nH]c(NC(=O)c2cc(C)nc(C)c2)c1-c1ccc(F)cc1 2100537310 MPROPSPJKZYFFW-UHFFFAOYSA-N 338.386 4.042 0 50 EIAA COc1ccc(F)cc1-c1csc(=Nc2cc(F)cc(F)c2)[nH]1 2325879214 MUYOFVGCCCWINZ-UHFFFAOYSA-N 336.338 4.402 0 50 EIAA COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 175930 MUEJIPMUQXCYNL-HXUWFJFHSA-N 330.387 4.466 0 50 EIAA C[C@H]1CCCCN1Cc1coc2c(Cl)cc(Cl)cc2c1=O 216737 URZMWKBAXBZOBV-JTQLQIEISA-N 326.223 4.474 0 50 EIAA Clc1ccc(Cl)c(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 276065 UBHZERDBABAXCJ-UHFFFAOYSA-N 335.146 4.439 0 50 EIAA Cc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1C 311679 GIIBBSKPYLMLRB-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1O 382460 JNBVFKQOOGSQEZ-UHFFFAOYSA-N 340.206 4.495 0 50 EIAA CSc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1 559115 UONFXXDPBZATGA-UHFFFAOYSA-N 338.432 4.123 0 50 EIAA CCCCOC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 1770730 BYGTWAVZCOFYRK-UHFFFAOYSA-N 325.408 4.215 0 50 EIAA COc1cc(OC)cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 4006370 IDKBLYSMKPRUNH-BUBBNXEVSA-N 343.467 4.039 0 50 EIAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1 4663391 QKEQVKLRWZVGRJ-UHFFFAOYSA-N 342.464 4.301 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C)c1 9229939 NDWUNFATFHZITO-UHFFFAOYSA-N 340.423 4.060 0 50 EIAA COC(=O)c1cccc(CSc2cc(-c3ccccc3)ncn2)c1 11903040 VZCILIQXZYJZOE-UHFFFAOYSA-N 336.416 4.223 0 50 EIAA O=C(Nc1cccc(Cl)c1)Nc1ccn(Cc2ccc(F)cc2)n1 20437515 ZOYUJHPJCPQRJO-UHFFFAOYSA-N 344.777 4.368 0 50 EIAA Cc1ccsc1C(=O)Nc1c(C)cnn1Cc1cccc(F)c1 55328006 OZMDIHBXJDMRBQ-UHFFFAOYSA-N 329.400 4.001 0 50 EIAA c1coc(CN2CC[C@@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)c1 65394767 MJLQMEAUYOBOJV-QGZVFWFLSA-N 348.402 4.060 0 50 EIAA O=C(NCc1ccsc1)N(C1CC1)[C@H]1CCCc2ccccc21 175364904 BFMJANKGQROYMC-SFHVURJKSA-N 326.465 4.500 0 50 EIAA O=C(Nc1ccc(SC(F)F)nc1)c1cccnc1C(F)(F)F 189037006 PCNBRPITUQYWAN-UHFFFAOYSA-N 349.284 4.062 0 50 EIAA CCCCc1nc(C)sc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 252486641 HNJFOCWORWENEW-LLVKDONJSA-N 342.468 4.161 0 50 EIAA C[C@@H](O)c1ncc(C(=O)Nc2ccc(Nc3ccccc3)cc2)s1 252507696 WRVPOOCQSZVELG-GFCCVEGCSA-N 339.420 4.192 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)O[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)oc12 252515949 OWUHUINPSMCJFT-FSPWUOQZSA-N 328.408 4.328 0 50 EIAA CSC[C@H](C)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 284592797 HDYKHAGVVIEQCO-JTQLQIEISA-N 340.901 4.079 0 50 EIAA CSc1ccccc1-c1cccc(C(=O)NCC[C@@H]2CCOC2)c1 299782489 SVPHYMCHSKXXKO-OAHLLOKOSA-N 341.476 4.232 0 50 EIAA Cc1ccc(C(=O)NCCc2coc(-c3ccccc3)n2)cc1Cl 1318254604 OGLYAHPMFYPFHZ-UHFFFAOYSA-N 340.810 4.276 0 50 EIAA COc1ccc([C@@H]2CCCC[C@@H](OC(=O)c3cncs3)C2)cc1 2325745673 YTNZQFCLLIFASA-GDBMZVCRSA-N 331.437 4.425 0 50 EIAA C[C@H](c1ccc(-c2ccc(CN(C)C)cc2CO)cc1)N1CCCC1 2356156656 LTEUONWQPLLRDN-QGZVFWFLSA-N 338.495 4.064 0 50 EIAA CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl 434521 IRGIXRWDCMSOGU-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA CCc1cc2c(=O)c(-c3nc(C)cs3)c(C)oc2cc1OC(C)=O 517773 TYTWXYSDYBZJEV-UHFFFAOYSA-N 343.404 4.021 0 50 EIAA biogenic Cc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1C 613818 GLZHEKOZPPIKSB-UHFFFAOYSA-N 330.181 4.234 0 50 EIAA O=C(Nc1ccc(Cl)cc1F)c1c(F)c(F)c(F)c(F)c1F 2754304 KNMPGSVJTAMCIG-UHFFFAOYSA-N 339.622 4.427 0 50 EIAA CC1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1 2978641 DPAVGIUAYPZUPF-UHFFFAOYSA-N 342.675 4.067 0 50 EIAA CN(Cc1ccccc1)C(=O)c1cc(-c2cccc(Cl)c2)on1 3908229 LBGHTSOBJHEZHI-UHFFFAOYSA-N 326.783 4.267 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1nnc(Cc2ccccc2F)s1 9045277 DQMIUQLNYBGULW-UHFFFAOYSA-N 346.362 4.051 0 50 EIAA O=C(C1CCCCCC1)N1CCC(n2cc(C3CCCC3)nn2)CC1 48436186 PPTJHUOBYICBMN-UHFFFAOYSA-N 344.503 4.070 0 50 EIAA CSc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 65365271 XGLAPSBVUXACDC-QGZVFWFLSA-N 349.459 4.377 0 50 EIAA Cc1nc(Cn2ccnc2-c2cnc(-c3ccccc3C)nc2)cs1 71764457 CMJUMRGPPKAZPD-UHFFFAOYSA-N 347.447 4.129 0 50 EIAA COCc1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)o1 71779869 BGDJJSIFFWQUSK-INIZCTEOSA-N 345.414 4.050 0 50 EIAA Cc1cc(-n2cccn2)ccc1-c1nccn1[C@H]1COC2(CCCC2)C1 82136904 PUZRLHRDDXDZDE-GOSISDBHSA-N 348.450 4.318 0 50 EIAA Cc1c(C(=O)N2CCC3(CCCCC3)CC2)cnn1C1CCCC1 121197078 ILGFHIPFNZTGBR-UHFFFAOYSA-N 329.488 4.493 0 50 EIAA C[C@H](C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1cccs1 122913559 OXSWYCIYQMNIHA-IHRRRGAJSA-N 335.494 4.028 0 50 EIAA C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1 170601623 AZNDSWXVZQQKBH-OXQOHEQNSA-N 346.434 4.247 0 50 EIAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N(C)C[C@H]2CCCCO2)c1 220176232 QXZRVHBGPLAVMP-QGZVFWFLSA-N 347.499 4.303 0 50 EIAA CCC[C@@H]1COCCN1C(=O)c1ccc(-c2cc(C)ccc2O)cc1 426574890 KUNKRLBUSIBCNK-GOSISDBHSA-N 339.435 4.009 0 50 EIAA Cc1cc(C)c2cc(CN3CCC[C@@H](N4CCCC4)CC3)[nH]c2c1 481989922 CVYZECWUNQZZOX-LJQANCHMSA-N 325.500 4.235 0 50 EIAA O=C(Nc1c(-c2ccccc2)ncn1C1CC1)[C@@H]1C[C@H]1c1ccncc1 1337011216 AHGQWHPWYBHIJI-ZWKOTPCHSA-N 344.418 4.022 0 50 EIAA C[C@@]12C[C@@H](NC(=O)N1CC1CC1)c1cc(Cl)c3ccccc3c1O2 1875330769 ZKEINYKNMPWELR-VQIMIIECSA-N 342.826 4.468 0 50 EIAA CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc2scc(C)c2[nH]1 2325851164 QZCAHJOBPBAOGH-DIFFPNOSSA-N 346.427 4.183 0 50 EIAA COc1c(C)cnc(CN2CC[C@@H](c3ccccc3)CCC2=O)c1C 2356158599 QLGKDXBYJYFZRZ-SFHVURJKSA-N 338.451 4.003 0 50 EIAA Cc1cc(=O)oc2cc(OCc3cc4c(cc3Cl)OCO4)ccc12 91129 GVJBSEBDYOCFPA-UHFFFAOYSA-N 344.750 4.063 0 50 EIAA CCOC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C 98359 DGZVFKBKGVKNKD-UHFFFAOYSA-N 331.372 4.059 0 50 EIAA Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3nsnc23)c1 104104 PQQMPQCTOCYKRF-UHFFFAOYSA-N 341.436 4.141 0 50 EIAA O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cccs1 180214 WNZWNAZUNNYFNS-UHFFFAOYSA-N 345.445 4.128 0 50 EIAA O=C1c2ccccc2C(=O)N1Cc1cccc(Oc2ccccc2)c1 314344 LDEMGKOKWBTIGY-UHFFFAOYSA-N 329.355 4.275 0 50 EIAA COC(=O)Nc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1 392148 DTOKXUYRMPAQTQ-UHFFFAOYSA-N 335.812 4.493 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c2c1 457472 ILJCFVGMRRJACE-HNNXBMFYSA-N 333.387 4.280 0 50 EIAA O=S(=O)(NCCC1=CCCCC1)c1cc(Cl)ccc1Cl 469014 JUZTYQWOQLKMFR-UHFFFAOYSA-N 334.268 4.162 0 50 EIAA CC(=O)c1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 488485 PGTHPAKSAOZVOR-GOSISDBHSA-N 339.464 4.208 0 50 EIAA biogenic O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1 615145 RLPNGXJXLYEYAS-UHFFFAOYSA-N 345.427 4.288 0 50 EIAA COc1ccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)cc1OC 1009120 XYBFJRVNNBSHLQ-UHFFFAOYSA-N 337.375 4.234 0 50 EIAA Cc1sc(C)c(C2=C(c3c(C)sc(C)c3C)C(=O)NC2=O)c1C 2512319 OHZCQTZIDIVCPI-UHFFFAOYSA-N 345.489 4.227 0 50 EIAA in-vitro CCCCOc1ccc(S(=O)(=O)Oc2cc(C)cc(C)c2)cc1 2837015 LVWLXFLFHVCGHS-UHFFFAOYSA-N 334.437 4.250 0 50 EIAA Cc1sc2ncn(CCCOc3ccc(Cl)cc3)c(=O)c2c1C 2889557 PLIFPMBAAXFVGT-UHFFFAOYSA-N 348.855 4.197 0 50 EIAA O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 4949535 QKBPDVBZTVJMLY-VHSXEESVSA-N 348.613 4.165 0 50 EIAA Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)no1 8327534 OFXNBRZNVNJBKN-UHFFFAOYSA-N 333.800 4.321 0 50 EIAA Cc1ccc(-c2cnnc(NCc3scnc3-c3ccccc3)n2)o1 14949099 QYIGJEBCWXDGQS-UHFFFAOYSA-N 349.419 4.176 0 50 EIAA O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCCC1 20489726 RRMZZWJZKCAFMJ-UHFFFAOYSA-N 327.449 4.094 0 50 EIAA O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Cl)cc1 44916358 MLBHXIKYVLSHTO-MRXNPFEDSA-N 341.798 4.320 0 50 EIAA OCCOc1ccccc1-c1c(-c2ccccc2)ncn1C1CC=CC1 65398018 LWCBVOWMIKHGCW-UHFFFAOYSA-N 346.430 4.479 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N3CC(Oc4ccccc4)C3)c2c1 77504133 JHGMNLTZXXRQFI-UHFFFAOYSA-N 346.430 4.063 0 50 EIAA CCCCCc1ccc(NC(=O)N2CCC[C@@H]2c2nc(C)n[nH]2)cc1 97745147 AAOQKXUXMCZJGS-QGZVFWFLSA-N 341.459 4.215 0 50 EIAA CN1CCc2ccc(NC(=O)N3CC=C(c4ccccc4)CC3)cc21 180211661 VDTBLQCMCNOZTB-UHFFFAOYSA-N 333.435 4.000 0 50 EIAA Cc1cccc2c(CCC(=O)Nc3cnn([C@@H](C)C4CC4)c3)c[nH]c12 186356241 LUKGMYRVWFTOSW-AWEZNQCLSA-N 336.439 4.215 0 50 EIAA C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(N2CCCC2)c(Cl)c1 219516682 LTSYXBVZBINXEF-AWEZNQCLSA-N 343.858 4.168 0 50 EIAA CC[C@H](C)c1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 239173593 OFOLNAZBRRZPJO-XOLUHBSGSA-N 343.467 4.124 0 50 EIAA Fc1ccc2c(c1)Sc1ccc(Cl)cc1[C@@H](N1CCNCC1)C2 252494470 NWROBGNWTKLKBB-INIZCTEOSA-N 348.874 4.133 0 50 EIAA O=C(CCC(F)(F)F)NCc1cnc(-c2ccc(Cl)cc2)s1 253416530 JAVCWXPQMHHNBG-UHFFFAOYSA-N 348.777 4.422 0 50 EIAA CCCN1CCC[C@H]1CNC(=O)Nc1cc(C(F)(F)F)ccc1C 253425139 POHKZEZJYRIXCG-AWEZNQCLSA-N 343.393 4.010 0 50 EIAA Cc1cc(F)ccc1C1CCN(Cc2cccc(C(=O)O)c2)CC1 263394379 GCKRAPUTRRTDMD-UHFFFAOYSA-N 327.399 4.212 0 50 EIAA O=C(Nc1cnccc1-c1ccccc1)[C@H]1CCOc2ccccc21 365358424 DMZHCAGHYJSZAX-SFHVURJKSA-N 330.387 4.253 0 50 EIAA CC(C)c1ccc([C@H](CCO)NC(=O)N(C)Cc2ccsc2)cc1 534660289 WMQMCCNXNJZVRL-SFHVURJKSA-N 346.496 4.137 0 50 EIAA Cn1cc(C(=O)N2CC(C)(C)c3ccccc32)c(-c2ccccc2)n1 678532037 XUNGJMZIRODCSU-UHFFFAOYSA-N 331.419 4.025 0 50 EIAA O=C(NC[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1775976275 PXURGCHUVHGTIS-AITUJVMLSA-N 325.839 4.363 0 50 EIAA C[C@@H]1C[C@@H]1c1ccc(C(=O)N2CC[C@H](c3ccc(Cl)nc3)C2)o1 2325803140 SDZPMWAULBXDSZ-XBFCOCLRSA-N 330.815 4.081 0 50 EIAA COc1cccc([C@@H](CF)NC(=O)c2ccc3nc(C)sc3c2)c1 2325817378 VDUCAZGUUSKJDG-MRXNPFEDSA-N 344.411 4.054 0 50 EIAA O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CC1 137426 BBDUZQBULSTCLR-UHFFFAOYSA-N 327.236 4.389 0 50 EIAA O=C(NC[C@H]1CCCO1)c1sc2cc(Cl)ccc2c1Cl 297944 HFCSBQVBMRLYQE-SECBINFHSA-N 330.236 4.117 0 50 EIAA Cc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)o1 474110 JJNNCBJYWSPDGU-CMDGGOBGSA-N 347.436 4.483 0 50 EIAA Cc1sc(NC(=O)C(Cl)(Cl)Cl)nc1-c1ccccc1 476092 NMGGZWIRNGRCNX-UHFFFAOYSA-N 335.643 4.427 0 50 EIAA CSc1nc(N2CCCCC2)c2c3c(sc2n1)COC(C)(C)C3 477099 SPDGPNFKSVHOOH-UHFFFAOYSA-N 349.525 4.255 0 50 EIAA COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C 562861 MHFMAHYFYRPKMJ-UHFFFAOYSA-N 333.453 4.236 0 50 EIAA O=C(O)COc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1064537 FXBHHXVSQXHCRO-UHFFFAOYSA-N 347.370 4.069 0 50 EIAA CCCOc1ccc(CC(=O)Nc2ccc(C)cc2C)cc1OC 2845877 MCKCKQLQCJZBSX-UHFFFAOYSA-N 327.424 4.282 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2O)on1 3908574 UHAAUQHVJRNMDC-UHFFFAOYSA-N 332.718 4.092 0 50 EIAA Clc1ccc(COc2ccccc2CNC[C@H]2CCCO2)cc1 4657506 CJRWRKQEIPTZKF-GOSISDBHSA-N 331.843 4.188 0 50 EIAA Cc1cccc(C)c1NC(=O)CN1CCC(Cc2ccccc2)CC1 6700072 BVDWCELUQFEINW-UHFFFAOYSA-N 336.479 4.197 0 50 EIAA COc1ccc(CCN2CCC[C@H](CN(C)CC3CCCC3)C2)cc1 11878842 AKADMUNWSXYXGU-OAQYLSRUSA-N 344.543 4.072 0 50 EIAA Cc1cc([C@H]2CCCN2Cc2nc(-c3cccs3)oc2C)no1 27889134 KQYDSFZRGBINOA-OAHLLOKOSA-N 329.425 4.345 0 50 EIAA Clc1ccc([C@@H]2CN(Cc3cc4ccccc4[nH]3)CCO2)cc1 71776585 KWTORMUTXGFMSH-IBGZPJMESA-N 326.827 4.395 0 50 EIAA Cc1c(NC(=O)N(C)C2CCSCC2)cccc1-n1cccc1 95510671 IWBQCTUCFPBUAI-UHFFFAOYSA-N 329.469 4.145 0 50 EIAA O=C(Nc1ccccc1O[C@H]1CCOC1)N1CCC2(CCCCC2)C1 119658880 UAQSQFPXHKBDSX-INIZCTEOSA-N 344.455 4.042 0 50 EIAA CC[C@@H]1CCCC[C@H]1N(C)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 120885294 PBFIIQNKTHMLBE-UKRRQHHQSA-N 339.439 4.070 0 50 EIAA O=C(Nc1ccc(SC(F)F)nc1)c1ccoc1Br 193922950 VLJGAFGHSGZBPM-UHFFFAOYSA-N 349.156 4.004 0 50 EIAA COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1 239475409 AOBGNMLTZIDGHZ-LSTDLKDCSA-N 341.838 4.124 0 50 EIAA CN(Cc1cc2ccccc2o1)C(=O)c1ccc(OC(C)(C)C)cn1 253416332 CHRIEUYYUKCUOK-UHFFFAOYSA-N 338.407 4.277 0 50 EIAA CCc1ccccc1NC(=O)c1nc(C)n(-c2cccc(Cl)c2)n1 261490583 LQXMVTQHSIETNX-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1[nH]c2ccccc2c1Cl 426477670 DKTKEEQBHHAGAG-LBPRGKRZSA-N 332.831 4.043 0 50 EIAA O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1coc(C2CC2)n1 681601301 JIBNURWQFVNMQV-QGZVFWFLSA-N 328.387 4.352 0 50 EIAA O=C(NCc1cc2ccccc2s1)N[C@@H](c1ccncc1)C1CC1 892326196 ZGSHHIJZJNKIPO-GOSISDBHSA-N 337.448 4.247 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccccc3C)CC1)C2 1704329357 SIKCBVULWJFPLB-FGZHOGPDSA-N 342.527 4.245 0 50 EIAA C[C@]1(c2nc([C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)CCC(=O)N1 2325792769 LFYLQYVLMQMNGP-GPCCPHFNSA-N 332.391 4.104 0 50 EIAA CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 443677 SJSWDJHGZOGDOP-UHFFFAOYSA-N 332.831 4.447 0 50 EIAA Cc1cc(OCc2ccc(F)cc2F)c2c3c(c(=O)oc2c1)CCC3 477289 FQAUVBFTWIJOOQ-UHFFFAOYSA-N 342.341 4.447 0 50 EIAA CCC(=O)NC(Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F 2311631 JTZKEZOQKQWFDO-UHFFFAOYSA-N 348.674 4.099 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccncc1 5636397 ARRLGLCWYFHJIH-QWRGUYRKSA-N 339.222 4.033 0 50 EIAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 7057297 NHADPNJLVYWXHQ-CYBMUJFWSA-N 349.452 4.018 0 50 EIAA O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1Cl 10296562 FRYYSLDHAIUOKJ-HNNXBMFYSA-N 331.799 4.150 0 50 EIAA CC[C@@H](C)c1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 12865070 PJKVSXFPDVJJMZ-OAHLLOKOSA-N 344.499 4.423 0 50 EIAA CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)cc1Cl 13520100 NRQGOIMCHGMMFY-UHFFFAOYSA-N 340.279 4.260 0 50 EIAA Cc1cc(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)no1 16604827 IWZFJBFZSYRTDV-UHFFFAOYSA-N 333.800 4.321 0 50 EIAA COc1ccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)cc1 19900159 FRBFOVICXRVYEY-UHFFFAOYSA-N 346.474 4.166 0 50 EIAA Cc1nc([C@@H](C)n2ccnc2C(C)C)n(-c2cccc3cccnc23)n1 63834258 GXOPDLIEXPTBOU-CQSZACIVSA-N 346.438 4.053 0 50 EIAA Cc1cccn2c(CC(=O)N[C@H](C)CC(C)(C)c3ccccc3)cnc12 97601033 OMQIDOHWMAHHCN-QGZVFWFLSA-N 349.478 4.058 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@]3(CCCO3)CC2)c2cccc(C)c2n1 97784882 SQEUVBXIOFCHJI-OAQYLSRUSA-N 338.451 4.027 0 50 EIAA Cc1cc(NC(=O)CCc2cscn2)ccc1Oc1ccncc1 193700258 HXZAMRGMKLRIIT-UHFFFAOYSA-N 339.420 4.210 0 50 EIAA O=C(c1ncccc1C(F)(F)F)N(CC(F)F)c1ccc(F)cc1 193858468 QAJFBFVOKAOFJW-UHFFFAOYSA-N 348.246 4.151 0 50 EIAA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 239173894 OWIIOMAKHSFEFP-CENDIDJXSA-N 345.442 4.233 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CCC21OCCO1 253596589 SXXRMGBMPQWUTB-FZWBFHRNSA-N 332.484 4.053 0 50 EIAA CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1OCc1ccc(F)cc1F 261506840 BLTIXLWYONJJAK-HOTGVXAUSA-N 341.398 4.317 0 50 EIAA CCc1nc(C)c([C@@H](C)Nc2cnn(C3CCOCC3)c2C)s1 296636106 BQZIULDXPDDRFR-LLVKDONJSA-N 334.489 4.043 0 50 EIAA Cc1nc([C@@H]2CCCCN2C(=O)Nc2ccc(C3CCC3)cc2)n[nH]1 374707146 LYKFHTBAXCSBIP-KRWDZBQOSA-N 339.443 4.140 0 50 EIAA O=C1[C@H](SC2=Nc3ccccc3C2)CCN1c1ccccc1Cl 740766423 JXSIQDLHNFVQKL-MRXNPFEDSA-N 342.851 4.465 0 50 EIAA Cc1ccc(-c2noc([C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(F)(F)F)n2)c(F)c1 1775999555 OMHLNOIGZXXFPF-NDBYEHHHSA-N 342.292 4.007 0 50 EIAA c1ccc([C@@H](c2ccccn2)N2CC[C@]3(C2)OCc2ccccc23)cc1 2325799754 WDGDUEVSHSNWLF-XZOQPEGZSA-N 342.442 4.302 0 50 EIAA Cc1cc(C(=O)NCCc2ccccc2F)c2c(c1)[C@@H](C)CCN2 2325842607 BXDKREJNGHGBED-AWEZNQCLSA-N 326.415 4.026 0 50 EIAA Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1ncccn1 85340 DQNPERVIOXSNSZ-CQSZACIVSA-N 341.480 4.196 0 50 EIAA CC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 130405 PKWUCSHYQQZZOD-UHFFFAOYSA-N 338.190 4.214 0 50 EIAA CCOc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 147176 MOEGQGZBBWZBRS-UHFFFAOYSA-N 339.313 4.122 0 50 EIAA COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 205879 KFSBQJHFBFQSQT-SJORKVTESA-N 340.814 4.086 0 50 EIAA COc1ccc(Br)cc1C(=O)Nc1cc(C)cc(C)c1 316589 MRXSIDUWZANXNL-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(OC)c1 434393 CEJBKPOBDUSJOX-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CC1(C)C[C@@H]([C@H](CC(=O)Nc2nccs2)c2ccccc2)CCO1 550248 BIGDMJGRSNELTA-JKSUJKDBSA-N 344.480 4.461 0 50 EIAA Clc1ccccc1CCNC1CCN(Cc2ccccc2)CC1 756989 AAJPBQZZYDBFLT-UHFFFAOYSA-N 328.887 4.137 0 50 EIAA CCCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 1777597 GBSCPORHNYJXSE-UHFFFAOYSA-N 339.844 4.320 0 50 EIAA O=C(O)c1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2814773 AJQDUVANDXBKQI-UHFFFAOYSA-N 343.688 4.309 0 50 EIAA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc(Cl)c1 2815681 YVFLOYNXHBHDKF-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA O=C(NCCOCc1ccccc1)c1ccc(Oc2ccccc2)cc1 3092273 CYVKOJBPLHBTKH-UHFFFAOYSA-N 347.414 4.426 0 50 EIAA COc1ccc2c(c1OC)CN(C)c1c-2ccc2cc3c(cc12)OCO3 4716567 ALZAZMCIBRHMFF-UHFFFAOYSA-N 349.386 4.203 0 50 EIAA biogenic,in-vitro COc1ccccc1-c1n[nH]c(SCc2ccc(Cl)cc2)n1 6702783 LDAXAUOLNIARIA-UHFFFAOYSA-N 331.828 4.426 0 50 EIAA COc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 19360135 FXNDXWYKIGRCAL-UHFFFAOYSA-N 346.474 4.166 0 50 EIAA COc1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 38834207 WCJMSJJICCAKPO-UHFFFAOYSA-N 338.451 4.324 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@@H](c3ccc(O)cc3)O2)C1 40450001 DCQWZNDAHMRGIR-QFBILLFUSA-N 333.428 4.013 0 50 EIAA Cc1ccsc1CN(CC(C)C)C(=O)c1ccc2nccn2c1 55568977 KBNKOHXNSLEBTQ-UHFFFAOYSA-N 327.453 4.003 0 50 EIAA CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 59740785 IMPOGHSJTJMELD-INIZCTEOSA-N 330.472 4.033 0 50 EIAA COc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 64985091 ILOUSGZBNNAHHK-HNNXBMFYSA-N 329.400 4.176 0 50 EIAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 95377276 NMQINKIFEAVHBM-GOSISDBHSA-N 348.450 4.032 0 50 EIAA Cc1c(CNC(=O)N2CCc3sccc3C2)oc2ccccc12 115687606 OVJXNXVUNQJKPS-UHFFFAOYSA-N 326.421 4.071 0 50 EIAA COCc1cccc(N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 173891966 PJGLENJDHOAIIK-QGZVFWFLSA-N 344.842 4.094 0 50 EIAA c1cc(-c2ccc(CN3CCCC[C@H]3c3nccs3)s2)[nH]n1 215392964 ZZMRREJSYBHNBO-AWEZNQCLSA-N 330.482 4.322 0 50 EIAA Cc1nc2ccccn2c1CN(C)Cc1ccc([C@H]2CCCO2)s1 216438829 RYAJCHRXTKIVCV-QGZVFWFLSA-N 341.480 4.188 0 50 EIAA CC(=O)c1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cs1 244795719 RMIPWSLZHNWZRA-MRXNPFEDSA-N 335.856 4.178 0 50 EIAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 248638181 WBGXCVFYIOPODM-FHLIZLRMSA-N 331.415 4.205 0 50 EIAA CO[C@H](C)c1nc(CNc2ccc3cc(Cl)cnc3n2)cs1 892866530 UMIJIZXGFRXWFY-SECBINFHSA-N 334.832 4.059 0 50 EIAA COc1ccccc1-c1ccc(N2C[C@H](C)C[C@@H]2c2cccnc2)nn1 1354155528 FXRPHMOYAOJQEW-DNVCBOLYSA-N 346.434 4.135 0 50 EIAA CCOCCCCNC(=O)Nc1cccc([C@@H](F)C(F)(F)F)c1 1775992420 ZCJTVOFOPWVPNI-CYBMUJFWSA-N 336.329 4.198 0 50 EIAA COc1ccccc1CN1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1875242973 KBPXFLCBDGAQNE-RTWAWAEBSA-N 325.452 4.293 0 50 EIAA C[C@H](c1cccc(Cl)c1)N1CCC(CN)(c2ccccc2)CC1 1875316872 JZXNLDHTBUKCKD-MRXNPFEDSA-N 328.887 4.394 0 50 EIAA CCOC(=O)[C@@H](CC)Sc1ncnc2sc3c(c12)CCCC3 84835 HMFWSHCUHWSKIL-LLVKDONJSA-N 336.482 4.004 0 50 EIAA CCC(NC(=O)Nc1ccccc1C)(C(F)(F)F)C(F)(F)F 290401 LVPRPOQMZMTDQI-UHFFFAOYSA-N 328.256 4.390 0 50 EIAA biogenic CCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 359681 DJIQSLSRDCIMFM-UHFFFAOYSA-N 342.464 4.137 0 50 EIAA Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1 449473 UBGADOICRCRSNE-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA O=C(Nc1cccc(C(=O)NC2CCCCCC2)c1)c1ccccc1 464975 FQEBQEMCEQUARZ-UHFFFAOYSA-N 336.435 4.392 0 50 EIAA O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 620205 SEMMPMQLMKQBQN-OAHLLOKOSA-N 340.379 4.472 0 50 EIAA Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccccc1 1398608 LFUAJHRRAYJVBI-UHFFFAOYSA-N 329.812 4.353 0 50 EIAA CCCOc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 2850128 ILIFAMOHZLQUNK-VBKFSLOCSA-N 341.794 4.473 0 50 EIAA Clc1cccc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 4981343 DHGMGNFVRUHFCL-HXUWFJFHSA-N 326.871 4.020 0 50 EIAA Cc1cc(C(F)F)nc2sc3c(c12)N[C@@H](c1ccccc1)NC3=O 6613245 BHDNMFHCAFPTLB-OAHLLOKOSA-N 345.374 4.396 0 50 EIAA CN(Cc1ccc([C@@H]2CCCO2)s1)Cc1nc2ccccc2n1C 67920572 YPXNLOZDOGHWKE-KRWDZBQOSA-N 341.480 4.118 0 50 EIAA CCCCN(Cc1ccccc1F)C(=O)Cc1nc2ccccc2[nH]1 67983142 IDWPHNPNRIPSOG-UHFFFAOYSA-N 339.414 4.073 0 50 EIAA CC[C@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn12)c1ccccn1 72433246 ASTRKPJBGFBVLP-INIZCTEOSA-N 347.397 4.494 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@H]3c3cc(C)no3)c2c1 77456170 GOGOTJVUDGRASR-SFHVURJKSA-N 349.434 4.434 0 50 EIAA O=C(Nc1ccncc1F)C1(c2ccc(Br)cc2)CCC1 132008385 HBMWCLOQSIYRIQ-UHFFFAOYSA-N 349.203 4.044 0 50 EIAA Cc1cnc([C@@H](NC(=O)c2cnc(-c3ccco3)s2)C2CC2)s1 173576895 CBQMRIPIRBJQON-ZDUSSCGKSA-N 345.449 4.049 0 50 EIAA O=C(C[C@@H]1OCCc2ccccc21)Nc1cncc(Cl)c1Cl 180152954 QSLDEGPTMPOTRH-AWEZNQCLSA-N 337.206 4.031 0 50 EIAA Cc1ccc(-c2nnc([C@@H](C)Nc3cnn(C(C)(C)C)c3)o2)cc1 186260075 MFTDAHYIZMPCOG-CYBMUJFWSA-N 325.416 4.170 0 50 EIAA CC(C)(C)N1CCN(C(=O)c2csc(C3CC3)n2)c2ccccc21 190581437 LPWIHOXOWYEIBU-UHFFFAOYSA-N 341.480 4.286 0 50 EIAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cccc(C(F)(F)F)c1 248233854 CVTBASIDJAHXSE-KNXALSJPSA-N 334.341 4.081 0 50 EIAA N=C(O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)C1 333993321 LSIDVUFFUVRONF-SQNIBIBYSA-N 340.467 4.124 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H]2c2cccn2C)c2nccc(C)c2c1 339838079 MCRROYUVSVXXPQ-IBGZPJMESA-N 333.435 4.167 0 50 EIAA CC1=CCN(C(=O)Nc2ccc(C)c(NC(=O)C3CCCC3)c2)CC1 426628300 OMNNMFPPJROKAH-UHFFFAOYSA-N 341.455 4.308 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cccc2c1CCC2=O 952977097 AUMILSYGCGQDEP-LJQANCHMSA-N 336.435 4.214 0 50 EIAA C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(Cl)c1 1875341750 GAHFSKWLIQJNRQ-NSHDSACASA-N 343.789 4.360 0 50 EIAA Cc1ccc(Cl)c2ccc(N3CCO[C@@H](c4cccnc4)C3)nc12 2325802367 CHQKQWUFTFIXAD-QGZVFWFLSA-N 339.826 4.170 0 50 EIAA CN1CCC[C@@H](CN(C)C(=O)Nc2ccc(C3CC3)c(Cl)c2)C1 2325865289 WAWRFWFWPONGPH-CYBMUJFWSA-N 335.879 4.023 0 50 EIAA Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 43117 CYRWMDIDRVATIQ-MRXNPFEDSA-N 334.824 4.467 0 50 EIAA Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 121391 VFAIFISSECVODE-UHFFFAOYSA-N 345.442 4.400 0 50 EIAA O=C(O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc21 266001 FOPDVSATCFBKCH-UHFFFAOYSA-N 347.326 4.071 0 50 EIAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 427672 XFVXFDRNKKNYAA-LBPRGKRZSA-N 331.799 4.066 0 50 EIAA O=C(COc1ccc2ccccc2c1)NCc1ccccc1Cl 442929 YTGPQJVHLURERW-UHFFFAOYSA-N 325.795 4.188 0 50 EIAA Cn1nc(C(F)(F)F)c(C=O)c1Oc1cccc(C(F)(F)F)c1 2561392 LVCVIYROIVOGBN-UHFFFAOYSA-N 338.207 4.063 0 50 EIAA CCCCOc1ccc(S(=O)(=O)N(CC)CC)c2ccccc12 2884566 NSTYBNALPAXEGK-UHFFFAOYSA-N 335.469 4.049 0 50 EIAA C/C=C/c1ccc(OCCOCCOc2ccccc2F)c(OC)c1 4701964 JKEOTUGASJNUOW-ZZXKWVIFSA-N 346.398 4.342 0 50 EIAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@H](O)Cc1ccccc1 5051361 GEUQJHGDWUFPCL-LAUBAEHRSA-N 334.463 4.047 0 50 EIAA COCCOc1cccc(NC(=O)Cc2cccc3ccccc23)c1 10155107 MOWAYTAKKJPJIL-UHFFFAOYSA-N 335.403 4.046 0 50 EIAA Cc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Br 13326446 PQOBFWBRTWQUPR-LBPRGKRZSA-N 334.213 4.164 0 50 EIAA Clc1ccc(COc2cccc(CNc3ncn[nH]3)c2)c(Cl)c1 13943042 XTEJJMXJCLSVAL-UHFFFAOYSA-N 349.221 4.303 0 50 EIAA CC(C)CCN(C)Cc1ccccc1-c1nc(C(C)C)cc(=O)[nH]1 48307216 BEDCASVMNQRDOY-UHFFFAOYSA-N 327.472 4.038 0 50 EIAA CC[C@H](C)N(Cc1cccnc1)Cc1ccc2c(C)cc(=O)oc2c1 55074665 OPLJGJXGJSOONA-INIZCTEOSA-N 336.435 4.297 0 50 EIAA COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)c(C)c1C 55543450 GQWHBTCHAPRQGX-UHFFFAOYSA-N 344.886 4.288 0 50 EIAA O[C@@H](COC1CCCCC1)Cn1cnc(-c2ccccc2)c1C1CC1 65373303 GXLXLRZFPCAPQL-GOSISDBHSA-N 340.467 4.138 0 50 EIAA Cc1nc(O)cc(C2CCN(Cc3cc4ccccc4s3)CC2)n1 72161829 CVIZXWNVQNIHNH-UHFFFAOYSA-N 339.464 4.085 0 50 EIAA c1ccc(-c2noc(-c3cncnc3NC3CCCCCC3)n2)cc1 169775550 VRKAHFJREKOCJL-UHFFFAOYSA-N 335.411 4.328 0 50 EIAA COC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](C)C2 239105268 IDNGCYIMAWTMQX-OWTLIXCDSA-N 347.480 4.034 0 50 EIAA C[C@H](O)c1ncc(C(=O)Nc2ccc(Nc3ccccc3)cc2)s1 252507697 WRVPOOCQSZVELG-LBPRGKRZSA-N 339.420 4.192 0 50 EIAA COc1cnc(NC(=O)c2ccccc2CCc2ccccc2)s1 253630154 QUQCOKHUIVDDHC-UHFFFAOYSA-N 338.432 4.189 0 50 EIAA CCn1ncc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1C(F)(F)F 333032518 AVCFTQXDXKAVNG-GRYCIOLGSA-N 344.381 4.012 0 50 EIAA Cc1ccc(N(CC2CC2)C(=O)c2cccc(C3OCCO3)c2)cc1 923677660 YVNKMQZXQFJIKY-UHFFFAOYSA-N 337.419 4.097 0 50 EIAA O=C(N[C@H](c1cccs1)C1CC1)c1cccc2nc(C(F)F)[nH]c12 929705648 XTNSODKTSUEJQC-ZDUSSCGKSA-N 347.390 4.443 0 50 EIAA CCc1nccn1C[C@@H](C)NCCc1c(C)[nH]c2ccc(Cl)cc12 1506409113 VHURTGWJIGQCBP-CYBMUJFWSA-N 344.890 4.109 0 50 EIAA CC(=O)c1cc(CN2CCC3(CC2)OCCc2sccc23)cs1 1704359582 TZDCIBNBYGQCDC-UHFFFAOYSA-N 347.505 4.076 0 50 EIAA O=C(O)[C@@H]1CN(Cc2ccc(Cl)cc2)Cc2cc(Cl)ccc21 1875321639 PKUDYYBKJQIFFY-MRXNPFEDSA-N 336.218 4.177 0 50 EIAA CC(=O)c1cc(F)ccc1N1CCC[C@H](c2cccc(O)c2F)C1 2325817649 JGNPLEIPYGRIAD-ZDUSSCGKSA-N 331.362 4.257 0 50 EIAA O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2ccco2)c1 434110 PEVUXFJYQITDFJ-UHFFFAOYSA-N 340.766 4.438 0 50 EIAA Cc1ccc(NC(=O)n2ncc(-c3ccc(Cl)cc3)c2N)cc1C 610653 HZSSGHPITLRBHC-UHFFFAOYSA-N 340.814 4.483 0 50 EIAA CCCCc1ccc(-n2nc3cc(Cl)c(NC(C)=O)cc3n2)cc1 1842088 HGKAONSWXLKIAA-UHFFFAOYSA-N 342.830 4.375 0 50 EIAA CCOC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 2547887 MQRCEVJUXOYQKL-LBPRGKRZSA-N 349.789 4.078 0 50 EIAA in-vitro CC(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1 2854682 KQRUYBBLRKLAAM-UHFFFAOYSA-N 344.239 4.229 0 50 EIAA CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 4695931 POQSZIOMVXPHDP-YXYQAXARSA-N 340.242 4.284 0 50 EIAA Cc1cccnc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1F 12308297 NZJNCQJORWNFIY-LJQANCHMSA-N 348.421 4.368 0 50 EIAA CCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2ccsc2)oc1C 12480292 PQOCOPRSWVNJBE-OAHLLOKOSA-N 348.468 4.019 0 50 EIAA COCc1ccc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)o1 12589615 BCEOCSPVDMGOFP-MRXNPFEDSA-N 345.414 4.050 0 50 EIAA CCCC[C@@H]1C(=O)CC[C@@H]2[C@H](CCCCCCC(=O)O)C(=O)C[C@H]12 27645420 SMKXBJMWSIFUAU-QZWWFDLISA-N 336.472 4.402 0 50 EIAA in-vitro COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c1 36620303 IIEGYUOUBLKTMY-SFHVURJKSA-N 340.423 4.381 0 50 EIAA CCCc1cc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)n(C)n1 82156820 XGSMSMJNMKLPKM-OAHLLOKOSA-N 345.874 4.046 0 50 EIAA CCCc1c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)[nH]c(C)c1C(C)=O 170626848 UDARPIIREVOCPT-NRFANRHFSA-N 342.483 4.441 0 50 EIAA N[C@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)c1ccccc1 178809917 HFTYITPKSVIFLJ-MSOLQXFVSA-N 328.843 4.094 0 50 EIAA Cc1ncsc1CCN(C)Cc1nc(-c2cccs2)oc1C 215961240 JGAZXWAHAOHZTL-UHFFFAOYSA-N 333.482 4.151 0 50 EIAA Cc1noc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 239287472 CWEKHXSSQMBRHH-UQQOHFQVSA-N 327.468 4.320 0 50 EIAA c1ccc([C@H]2N3[C@@H]([C@H]3c3ccccc3)[C@]3(c4ccccc4)ON23)cc1 252489074 JEKWBADSIIAEGZ-NMERGDTBSA-N 326.399 4.225 0 50 EIAA COCCCNc1nc(-c2ccc(Cl)cc2)c2ccccc2n1 253433534 YATKUUZLWZHYLQ-UHFFFAOYSA-N 327.815 4.399 0 50 EIAA O=C(c1cccc(Cl)c1Cl)N1CCC(c2nccs2)CC1 377509474 FICBDOWLBUCVNP-UHFFFAOYSA-N 341.263 4.470 0 50 EIAA Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(F)ccc1C 408526059 UCUCEIWCSJRBDK-UHFFFAOYSA-N 337.354 4.277 0 50 EIAA Cc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1O 468887718 HJQANCJHBFKHNN-UHFFFAOYSA-N 326.421 4.347 0 50 EIAA CC[C@@](C)(NCc1sncc1Br)c1nc(C)cs1 952882415 MFCQKFAOJQUBSR-GFCCVEGCSA-N 346.319 4.086 0 50 EIAA CC1(C)C[C@]1(C(=O)Nc1cccc(-n2cccn2)c1)c1cccs1 952967687 BNUVMTBFJVGCBW-LJQANCHMSA-N 337.448 4.240 0 50 EIAA OC[C@H](c1ccc(F)cc1)n1ccnc1-c1c(F)cccc1Cl 1857729248 BFAZDYUBURZZOO-OAHLLOKOSA-N 334.753 4.063 0 50 EIAA C[C@@H]1c2ccc(O)cc2CCN1C[C@H](O)Cc1ccc2ccccc2c1 1875340688 MZVRHCQZWUAXDJ-OPAMFIHVSA-N 347.458 4.068 0 50 EIAA CCSc1cnccc1C(=O)O[C@H]1C[C@@H](OCc2ccccc2)C1 2325855511 DFEQUTDYOLDNRQ-IYBDPMFKSA-N 343.448 4.098 0 50 EIAA O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccccc1 35104 ZJUAZFQIZDHPIY-UHFFFAOYSA-N 340.382 4.150 0 50 EIAA COc1ccccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 502460 PGNHQFVCQJTROY-UHFFFAOYSA-N 343.386 4.262 0 50 EIAA O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 917739 HUQQLZHUXJNKMR-UHFFFAOYSA-N 336.416 4.182 0 50 EIAA Cc1cc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)no1 1516986 CQEVWHCSUIJWTR-UHFFFAOYSA-N 333.347 4.352 0 50 EIAA O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)C1CCCCC1 4670390 JTJZHSIIXJFESX-UHFFFAOYSA-N 348.402 4.006 0 50 EIAA COc1cc(OC)c(NC(=O)c2ccccc2SC)cc1Cl 4834473 WJWOXJNMMSMDMD-UHFFFAOYSA-N 337.828 4.331 0 50 EIAA CC(C)=CCC[C@@H](C)CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 5528852 LWGWUPUIDWATSH-QRVBRYPASA-N 328.500 4.040 0 50 EIAA O=C1C[C@H](c2ccc(F)cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 8973025 NAAFELFPQNRTIC-CQSZACIVSA-N 341.773 4.343 0 50 EIAA CCCC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 9010405 HYDHDKCNMNJHPY-UHFFFAOYSA-N 348.446 4.165 0 50 EIAA FC(F)Oc1ccccc1CN1CCC[C@@H](Nc2ccccc2)C1 12201863 CTWIZPJYZKAMEP-QGZVFWFLSA-N 332.394 4.365 0 50 EIAA O=C(Nc1c(Cl)cccc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O 12428410 VBCOOIKAFLTMFV-ZACCUICWSA-N 326.223 4.327 0 50 EIAA c1ccc(CCCN2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)cc1 14957508 LCFVBXMLMVRVID-JOCHJYFZSA-N 338.495 4.200 0 50 EIAA COC[C@H](C)NC1CCN(c2ccc(-c3cccc(C)c3)cc2)CC1 19228504 NHMFMOKLGNLTTJ-SFHVURJKSA-N 338.495 4.255 0 50 EIAA O=C(CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 54979038 UTWZEAFHTFHBKG-UHFFFAOYSA-N 344.458 4.235 0 50 EIAA Cc1nc(C)c(C(=O)N(Cc2ccccc2)Cc2nccs2)s1 63835560 RHPSDSNJZFZZBG-UHFFFAOYSA-N 343.477 4.059 0 50 EIAA Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccc(O)c3)C2)cc1 67908946 LAJBYAKEVFHKAJ-LJQANCHMSA-N 347.462 4.470 0 50 EIAA O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@H]1c1ccc(F)cc1 77472076 QAGNCEBCOAFVIZ-FQEVSTJZSA-N 349.409 4.379 0 50 EIAA CCCCc1nc2cc(C(=O)N(C)Cc3c(C)noc3C)ccc2o1 95505125 SCTBIQKZOPGWQP-UHFFFAOYSA-N 341.411 4.047 0 50 EIAA Cc1ccc(SCc2ccc(-c3nc([C@H]4CCOC4)no3)o2)cc1 96151594 TZCZFTNJLYZROQ-ZDUSSCGKSA-N 342.420 4.434 0 50 EIAA C=Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 170595937 UQPJSJSPDAJHLN-LBPRGKRZSA-N 337.354 4.010 0 50 EIAA CCCc1sc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1CC 170636585 AZZJZZHWTDAYGW-XYPHTWIQSA-N 335.513 4.149 0 50 EIAA CSc1cccc(C)c1NC(=O)N1CCO[C@H](c2ccsc2)C1 184956896 SWTUWFYFINUATO-AWEZNQCLSA-N 348.493 4.384 0 50 EIAA Cc1ccc(-c2nn(-c3ccc(Br)cc3)cc2O)cc1 215849968 DQDPDQUYIGQMPG-UHFFFAOYSA-N 329.197 4.316 0 50 EIAA COc1ccccc1CCCN(C)C1CCN(c2ccccc2)CC1 225843894 YYSDNNBRSJFOKK-UHFFFAOYSA-N 338.495 4.229 0 50 EIAA O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1c(Cl)cccc1Cl 239284869 CGSCAGIEIYXAOJ-STQMWFEESA-N 341.282 4.444 0 50 EIAA Cc1cc([C@@H](C)NCc2ccnc(Oc3ccccc3F)c2)no1 252482956 DRDAOKGHOKMCPN-CYBMUJFWSA-N 327.359 4.160 0 50 EIAA Cc1cnc(NC(=O)c2ccc(Cl)s2)nc1-c1ccccc1 253426848 IZEJBBQWZPTBNO-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA CN(Cc1ccoc1)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 330745156 RKZYXVPLMRBMRG-UHFFFAOYSA-N 332.448 4.193 0 50 EIAA COc1ncccc1NC(=O)c1oc2cc(C)c(Cl)cc2c1C 334163339 YYXNUUOKBBWKMW-UHFFFAOYSA-N 330.771 4.359 0 50 EIAA COc1ccc(CN(C)Cc2cc(C3CCCCC3)no2)cc1O 1506429717 WFFOVFMPQKJIIB-UHFFFAOYSA-N 330.428 4.069 0 50 EIAA Fc1cc(Cl)cnc1N[C@H]1CCCN(Cc2cccs2)C1 1529166951 FQFAKHQTSHKRHU-LBPRGKRZSA-N 325.840 4.012 0 50 EIAA C[C@@H](Cc1ccc(F)cc1F)NCc1c[nH]nc1-c1ccccc1 1875322716 CQEBEAPUOGGFKV-ZDUSSCGKSA-N 327.378 4.076 0 50 EIAA Cc1cnnn1-c1ccc(NC(=O)c2cccc3cc(F)ccc23)cc1 1875342278 IHFDEEHEHJQTOH-UHFFFAOYSA-N 346.365 4.120 0 50 EIAA Cc1[nH]c2ccc(CN[C@H](C)c3n[nH]cc3Br)cc2c1C 2325796317 IQNSUQQCBODGLP-LLVKDONJSA-N 347.260 4.121 0 50 EIAA Cc1c(OCC(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 83524 KKRGJXCHMGGFGS-UHFFFAOYSA-N 348.398 4.242 0 50 EIAA Cc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1 361049 AEMKSVMXTJIUNW-UHFFFAOYSA-N 346.455 4.374 0 50 EIAA COc1cccc(-n2c(C)nc3c(Cl)cc(Cl)cc3c2=O)c1 462442 MXXJJVLSIMNZKE-UHFFFAOYSA-N 335.190 4.010 0 50 EIAA CCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1C 468107 JCRHWSGEFFZRMM-UHFFFAOYSA-N 327.277 4.392 0 50 EIAA COc1ccccc1C(=O)Nc1c(C)cc(Br)cc1C 1410876 MBAWOCYLSWCWEY-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA CCCCCC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 1787057 MHMPOFXCANLSQG-ZDUSSCGKSA-N 337.678 4.491 0 50 EIAA CCc1ccccc1NC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 2879364 KMMLFOOZFSUDEZ-AWEZNQCLSA-N 344.414 4.390 0 50 EIAA COc1ccc(-c2c(C(=O)c3ccc(C)cc3)sc3ncnn23)cc1 5928680 OURJPQIGHCWHBR-UHFFFAOYSA-N 349.415 4.006 0 50 EIAA Fc1ccc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cc1 13594701 BTUBPIFSIVWYBB-SFHVURJKSA-N 337.398 4.137 0 50 EIAA COc1ccc(C(=O)Nc2cccc(-c3cscn3)c2)cc1OC 20600890 KOTKNPFQDXESEE-UHFFFAOYSA-N 340.404 4.080 0 50 EIAA COCc1ncc(CN(C)[C@H](CCC(C)C)c2ccccc2)cn1 55036813 SVYRHUNRRNMEQD-LJQANCHMSA-N 327.472 4.232 0 50 EIAA CC(=O)NCC[C@@H]1CCCCN1Cc1ccccc1-c1ccccc1 72143484 WLRPDDANSNLCGK-NRFANRHFSA-N 336.479 4.234 0 50 EIAA Cc1cc([C@H]2CCCCN2C(=O)c2cc3c(s2)CCCC3)no1 91713240 LAGXOMQIHMJPHU-OAHLLOKOSA-N 330.453 4.291 0 50 EIAA Cc1ccc(-n2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1 101039936 CJHLUNCJIYPCEK-UHFFFAOYSA-N 347.237 4.119 0 50 EIAA CC(C)COc1ccc(CC(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1 253418252 MRCYENKZVSQLLZ-AWEZNQCLSA-N 345.414 4.095 0 50 EIAA CN(C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 277301583 PBHREPWJGGSINW-CQSZACIVSA-N 346.858 4.156 0 50 EIAA CC(C)c1ncncc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 298985424 QNJLPSLTJUJKFN-UHFFFAOYSA-N 348.450 4.101 0 50 EIAA Cc1csc(CCC(=O)Nc2cc(C(F)(F)F)ccc2F)n1 435738358 REYKKKDXBYCYOA-UHFFFAOYSA-N 332.322 4.181 0 50 EIAA CSCc1nc(CNC(=O)N2CCC[C@H]2c2ccccc2)cs1 584904093 CSOCDUPGUXINLF-HNNXBMFYSA-N 347.509 4.053 0 50 EIAA CCCCc1ncc(CN[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)[nH]1 952975500 KHUCNJRBVQIWCN-LJQANCHMSA-N 339.487 4.424 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)c2cnoc2-c2ccccc2)c(C)s1 1506421847 WRZBVVSWPKGVHE-LLVKDONJSA-N 341.436 4.248 0 50 EIAA O=C(CCc1cnc2ccccc2c1)O[C@H]1CCC[C@@H]1c1cccnc1 2325743019 RXVOYNXFHBZTNC-CTNGQTDRSA-N 346.430 4.442 0 50 EIAA Cc1cc(C)c2c(c1)N(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)CC2 2325829958 WZGPRYQSUUWWSE-ZWKOTPCHSA-N 344.499 4.358 0 50 EIAA Cc1cc2c(cc1C)[C@H](c1cc3c(cc1Cl)OCO3)CC(=O)N2 88900 RISOLTAHTLTNDH-NSHDSACASA-N 329.783 4.160 0 50 EIAA C[C@@H]1CCCCN1Cc1coc2c(Cl)cc(Cl)cc2c1=O 216743 URZMWKBAXBZOBV-SNVBAGLBSA-N 326.223 4.474 0 50 EIAA CC(C)Cc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 473170 UZIKBQSCOUCYID-UHFFFAOYSA-N 330.240 4.296 0 50 EIAA O=C(c1cnc2c(c1)COc1ccc(Cl)cc1-2)c1ccccc1O 481663 GULSQPXAXMNOQB-UHFFFAOYSA-N 337.762 4.231 0 50 EIAA Cc1ccc(C(=O)N2C3=C(CCCC3)C(=O)NC23CCCCC3)cc1 1443466 YYLVPMMZDJCUIW-UHFFFAOYSA-N 338.451 4.056 0 50 EIAA Cc1cc2c3c(c1)-c1c(ssc1=S)C(C)(C)N3C(=O)C2=O 1752301 RXDNBQWMPNIEBR-UHFFFAOYSA-N 333.459 4.293 0 50 EIAA O=c1c2ccc(Cl)cc2ncn1Cc1c(Cl)cccc1Cl 2544866 QWURMFUUXAEJKY-UHFFFAOYSA-N 339.609 4.405 0 50 EIAA Cc1ccc(NC(=O)[C@@H](C)Cn2nc(C(F)(F)F)cc2C)cc1C 2796381 ZTGCRYFCGOABRX-LBPRGKRZSA-N 339.361 4.102 0 50 EIAA Cc1cc2nc(-c3cccs3)cc(C(F)(F)C(F)(F)F)n2n1 2802785 DMXGLTZSQJKOLO-UHFFFAOYSA-N 333.285 4.420 0 50 EIAA CN(Cc1ccccc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 12372969 WXTGQQQZEGGFQF-UHFFFAOYSA-N 347.340 4.387 0 50 EIAA O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)c1ccccc1 15010599 VRWSQZPBIJVTEW-DQBOXZGESA-N 349.411 4.162 0 50 EIAA Cc1ncnc(NCc2cccnc2Oc2ccc(F)cc2F)c1C 67872941 AEWBFORBOXUITH-UHFFFAOYSA-N 342.349 4.171 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)c2ccc(F)cc2n1 72419407 CFIURXNMUUYXHS-FQEVSTJZSA-N 349.409 4.445 0 50 EIAA COc1cc(-c2nc3c([nH]2)c(C)nn3C(C)C)c(OC)cc1SC 101767347 HBCIIBCUHGFFHM-UHFFFAOYSA-N 346.456 4.055 0 50 EIAA Cc1c(CN2CCC3(CCCN(C)CC3)CC2)[nH]c2c(C)cccc12 216368658 QYYQKDNMTBKRKB-UHFFFAOYSA-N 339.527 4.483 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 257346361 YSBQFDHILMUWPK-NYCPRVGWSA-N 332.484 4.387 0 50 EIAA Cc1c(C(=O)Nc2cc3n(n2)CCCC3)oc2c(Cl)cccc12 286691854 XQZLQFCGPSJOGX-UHFFFAOYSA-N 329.787 4.180 0 50 EIAA CC(C)c1[nH]ccc1C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl 331735559 URTKWFRBZMTOMG-GFCCVEGCSA-N 339.222 4.308 0 50 EIAA C[C@H](C1CC1)n1cc(NC(=O)c2ccc(C(F)(F)F)s2)cn1 671801396 XSDQKKUDDNGGAP-MRVPVSSYSA-N 329.347 4.187 0 50 EIAA O=C(Nc1cnn(Cc2ccccc2)c1)c1scc2c1CCCC2 1529177650 CBSNGXJOMSOWCU-UHFFFAOYSA-N 337.448 4.124 0 50 EIAA O=C1CCCCN1Cc1ccc(-c2nnc(C3CCCCC3)o2)cc1 2325722921 URDLLWVDOASFPO-UHFFFAOYSA-N 339.439 4.297 0 50 EIAA C[C@H](NCc1ccc2c(c1)CCOC2)c1ccc(-c2cncnc2)cc1 2325765067 UNDPIAVIJRVJAZ-INIZCTEOSA-N 345.446 4.067 0 50 EIAA C[C@@H]1CCCN(Cc2ccc(NCc3ccnc4[nH]ccc34)cc2)C1 2325861081 FCTIJXMHTQAIKR-MRXNPFEDSA-N 334.467 4.407 0 50 EIAA CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 35607 AGRYOYJCVQAOGA-NSHDSACASA-N 347.436 4.283 0 50 EIAA COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C 310337 YIXBIIOVOSPJEN-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 367764 VMRYTVHWHZTFML-UHFFFAOYSA-N 340.206 4.333 0 50 EIAA O=C(OCc1ccc(Br)cc1)c1ccc(Cl)cc1 462170 DQFOGBGAQVRHCS-UHFFFAOYSA-N 325.589 4.460 0 50 EIAA CCn1cc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)c(C)n1 1052305 OYVBJXFYRZIYOE-SECBINFHSA-N 326.227 4.009 0 50 EIAA CCCCOc1ccc(NC(=O)COc2cccc(C)c2C)cc1 1779709 KCADYQHYWGECOO-UHFFFAOYSA-N 327.424 4.500 0 50 EIAA O=C(NCc1ccccc1Cl)C1CCN(C[C@@H]2CC=CCC2)CC1 4725438 AIRCSMGVNIKEIC-MRXNPFEDSA-N 346.902 4.025 0 50 EIAA Cc1cc(C)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 12778913 JWOOFYBJPMCMLJ-LJQANCHMSA-N 339.435 4.422 0 50 EIAA O=C(/C=C\c1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 15659787 ITPAVBXTFNDQKP-QXMHVHEDSA-N 332.359 4.184 0 50 EIAA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1c(F)cccc1F 20294471 DONMCAHXENZBFA-UHFFFAOYSA-N 341.361 4.079 0 50 EIAA CC[C@@H](NC1CCN(C(=O)c2ccccc2)CC1)c1cccs1 65370989 KAVKHUFRTLZNSY-QGZVFWFLSA-N 328.481 4.094 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)c2cnoc2C2CC2)cc1C 65490247 BYNPMRYQWYBJMN-UHFFFAOYSA-N 341.411 4.241 0 50 EIAA c1ccc(-c2ccc(CN3CCCC[C@@H]3CCn3ccnc3)cc2)nc1 77505989 BIMFAIGQAXVNNU-OAQYLSRUSA-N 346.478 4.390 0 50 EIAA O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)C1CCOCC1 128238034 YWFGJDGYTZWCHB-GOSISDBHSA-N 347.817 4.111 0 50 EIAA Cc1nc(CSc2ccccc2C(=O)N2CCC2(C)C)cs1 170015056 UAHGCGVNPSZTJV-UHFFFAOYSA-N 332.494 4.368 0 50 EIAA COc1ccc([C@@H]2OC[C@@]3(COC(C)=O)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 239235781 WSCCZHJZVDZUSC-GAMLAWPCSA-N 344.451 4.164 0 50 EIAA CC(C)C(=O)Nc1cccc(NCc2ccc(N(C)C(C)C)nc2)c1 252489808 KBDWDRPWUNKLGJ-UHFFFAOYSA-N 340.471 4.133 0 50 EIAA CC(C)(C)OC(=O)NCC[C@@H](c1ccccc1)c1cccc(N)c1 261508039 PDHDMCJOVMNNGQ-SFHVURJKSA-N 326.440 4.316 0 50 EIAA O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc2nc[nH]c2c1 263588754 XYHJCFKENZVBNC-QGZVFWFLSA-N 336.420 4.044 0 50 EIAA Cc1ccc(CN2CCC(c3[nH]ncc3CCc3ccccc3)CC2)o1 299802764 PDNGDVHYUAVXAN-UHFFFAOYSA-N 349.478 4.476 0 50 EIAA Fc1ccc(-c2noc(-c3cnc4c(F)cccc4c3)n2)cc1F 426441395 FIXWKUSDWCIDNV-UHFFFAOYSA-N 327.265 4.369 0 50 EIAA CCCCOc1cccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c1 426444867 DEFULNJKSUKMNA-UHFFFAOYSA-N 326.440 4.487 0 50 EIAA C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cnc(Cl)s1 864095247 ARLONAZTQMCYHB-SECBINFHSA-N 344.267 4.353 0 50 EIAA Cc1noc(C)c1[C@@H](C)NC[C@@H]1CCN(c2ccccc2Cl)C1 926675053 HJNDGHOITDFLML-DOMZBBRYSA-N 333.863 4.122 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]32)C1 1857524671 MENYRVLDWKVWLK-LWWSSTOXSA-N 334.500 4.322 0 50 EIAA O=C(C1CCC2(CCC2)CC1)N1CCC(CCCn2ccnc2)CC1 1875280663 KIYOLZKHUAZERV-UHFFFAOYSA-N 343.515 4.262 0 50 EIAA Cc1cccn2cc(C(=O)N[C@H]3CC[C@H](Oc4ccccc4)CC3)cc12 1875304941 ADGGERGDLPERKL-KESTWPANSA-N 348.446 4.368 0 50 EIAA COc1ccc([C@H]2CCN(Cc3cncc(-c4cccnc4)c3)C2)cc1 1875330109 OOGNRMRHGRLYJJ-FQEVSTJZSA-N 345.446 4.142 0 50 EIAA O=c1cc(-c2ccccc2)cnn1Cc1cc(F)cc(C(F)(F)F)c1 2325821504 UKFPBFQBHALWQN-UHFFFAOYSA-N 348.299 4.117 0 50 EIAA C[C@H](N)c1nc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)cs1 2325828228 BMHACSGVNUSARR-BONVTDFDSA-N 349.887 4.087 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 129754 AUCWPLDCUAFMOQ-CYBMUJFWSA-N 331.799 4.257 0 50 EIAA COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 181067 VFRCORZQNAZIEC-UHFFFAOYSA-N 343.386 4.491 0 50 EIAA O=C(Nc1ccc(Cl)cc1)Oc1cccc(N2CCCC2=O)c1 354031 CSOMDGBDLFNSND-UHFFFAOYSA-N 330.771 4.078 0 50 EIAA CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(OC)ccc1OC 359092 RNROPNMMDMAYSB-AWEZNQCLSA-N 343.423 4.235 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1 444114 VTHNMFOJMRZOAT-DHZHZOJOSA-N 332.197 4.110 0 50 EIAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1 451919 PCFCEWSQHINEPG-SNVBAGLBSA-N 342.197 4.216 0 50 EIAA O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 610816 BWMJKWDADQQEGC-UHFFFAOYSA-N 325.151 4.366 0 50 EIAA CC(=O)N[C@@H](c1ccc(C)cc1)c1c(OC(C)=O)ccc2ccccc12 856060 KPOQXWVQYGORQU-QFIPXVFZSA-N 347.414 4.299 0 50 EIAA CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)c1 1844613 KLBBAHHQIZLKTJ-UHFFFAOYSA-N 342.464 4.219 0 50 EIAA COC(=O)c1ccc(OCCOc2ccc(Cl)cc2Cl)cc1 2990574 XWMRREVYYUITRN-UHFFFAOYSA-N 341.190 4.238 0 50 EIAA COc1ccc(C)cc1NC(=O)c1sccc1Br 4542010 GANINLBHJUMUFI-UHFFFAOYSA-N 326.215 4.080 0 50 EIAA O=C(CSc1nc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 5731492 FKBUBWVLRATALT-UHFFFAOYSA-N 329.812 4.100 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(C)cc1 7720211 WKKBUJLSXLDLFA-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA c1ccc(Cc2noc(CN3CC[C@H](C4CCCCC4)C3)n2)cc1 12297443 LXRRFZRRYIHCPT-SFHVURJKSA-N 325.456 4.063 0 50 EIAA c1ccc([C@@H]2CCCN2c2nncc(-c3cc4ccccc4o3)n2)nc1 12435482 USSICVMEKWXPIP-KRWDZBQOSA-N 343.390 4.021 0 50 EIAA COC[C@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)oc1C 12456569 SYQVQGJKXXBCHP-MRXNPFEDSA-N 334.847 4.304 0 50 EIAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cc(C)ccc1OC 33270654 YXQGPIRDOKNERF-OAHLLOKOSA-N 343.427 4.231 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCc1cccnc1 39438297 SXRIHUKPZZKZHL-IBGZPJMESA-N 334.394 4.059 0 50 EIAA CN(Cc1cc(-c2ccccc2)on1)C[C@@H]1CCCN2CCCC[C@H]12 55358052 DEJXBUGWCYMJEY-AZUAARDMSA-N 339.483 4.038 0 50 EIAA Cc1ccccc1N1CCN(Cc2ccccc2Br)CC1 55543613 LKCOKVROFQPFFW-UHFFFAOYSA-N 345.284 4.080 0 50 EIAA Cc1cc(C)n(-c2cccc(-c3nccn3Cc3c(C)noc3C)c2)n1 77377755 UQZWSOBGYCVHOX-UHFFFAOYSA-N 347.422 4.006 0 50 EIAA CCCCSc1ccccc1N1CCN([C@H]2CCCC[C@H]2O)CC1 96026569 IRNIUSIEMBTWJH-PKOBYXMFSA-N 348.556 4.004 0 50 EIAA CCC[C@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(Cl)c(Cl)c1 118573170 RPYRPFRXPHYLFM-DOMZBBRYSA-N 345.270 4.001 0 50 EIAA CC(C)(C)[C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)CC1 170602382 XJMHAIDAVBQWPT-JKSUJKDBSA-N 327.472 4.217 0 50 EIAA Cc1nn(-c2ccccc2)c2nc(C(=O)N3[C@@H](C)CCC[C@H]3C)ccc12 171436953 NSTDRZPMQNRPQC-GASCZTMLSA-N 348.450 4.132 0 50 EIAA O=C(CCc1ccccc1Cl)NC[C@H]1CCN(C2CCCCC2)C1 222404973 FQWXLTSBGMKOJH-MRXNPFEDSA-N 348.918 4.043 0 50 EIAA CCC[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(CCO)cc2)cc1 426490709 ZXEAMJXFDVHRGY-OAQYLSRUSA-N 337.463 4.293 0 50 EIAA Cc1ccc(CC(=O)Nc2cccc(OC(F)F)c2)c(Cl)c1 474229830 JEBACBPJPDMQPK-UHFFFAOYSA-N 325.742 4.431 0 50 EIAA CC(C)c1nocc1C(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 1347413662 OVBWWYBCTDVNIG-UHFFFAOYSA-N 337.423 4.299 0 50 EIAA COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 5085 MDMWHKZANMNXTF-UHFFFAOYSA-N 347.414 4.240 0 50 EIAA biogenic,in-vitro O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1cccc2ccccc12 561750 CEVLVWKLFYVNIV-OAHLLOKOSA-N 327.387 4.237 0 50 EIAA C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c2C1 2550728 KKHPGCJBGAERNW-NSHDSACASA-N 347.461 4.420 0 50 EIAA O=C(C[C@](O)(c1ccccc1)C(F)(F)C(F)F)c1cccs1 4197922 NQEQEWWIEDXSKV-AWEZNQCLSA-N 332.318 4.109 0 50 EIAA O=C1C[C@@H](c2ccccc2)Sc2nc(-c3ccc(Cl)cc3)nn21 4268656 DVDBHNUIXBPZFX-AWEZNQCLSA-N 341.823 4.476 0 50 EIAA Cc1c(C)n(Cc2ccncc2)c2ncnc(NCc3ccccc3)c12 9419142 NKQBKUFFNADNNO-UHFFFAOYSA-N 343.434 4.104 0 50 EIAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1cccc(Cl)c1 10156021 NRHVTJLIADHLMQ-OAHLLOKOSA-N 331.799 4.150 0 50 EIAA FC(F)(F)c1ccccc1CCNc1nncc(-c2ccccc2)n1 14966657 WMFFHRKEOYNVJV-UHFFFAOYSA-N 344.340 4.212 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2F)cc1OC 36620624 XYFCGNQLIRRCRA-INIZCTEOSA-N 344.386 4.212 0 50 EIAA COc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)cc1 36621132 MZYUMWIGCPIPCC-SFHVURJKSA-N 329.827 4.255 0 50 EIAA C[C@H]1CCCN1Cc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 65385699 GBFBXUZIJASNEH-INIZCTEOSA-N 345.446 4.471 0 50 EIAA CC[C@H](c1ccncc1)n1ccnc1-c1cnc(-c2cccs2)nc1 71763377 BTSHHWLJNSXCIB-MRXNPFEDSA-N 347.447 4.463 0 50 EIAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 95504618 BTRNDQQBLMALNJ-HNNXBMFYSA-N 331.485 4.073 0 50 EIAA CC[C@H]1CCCC[C@@H]1N(C)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 120885131 PBFIIQNKTHMLBE-ZFWWWQNUSA-N 339.439 4.070 0 50 EIAA O=C(c1csc(-c2ccoc2)n1)N1CC[C@@H](Cc2ccccc2)C1 126084912 JXAFGLRKXSESNO-HNNXBMFYSA-N 338.432 4.108 0 50 EIAA Cc1nc(NC(=O)c2ccnc(Cl)c2)c(-c2ccccc2)s1 170595460 XLEWYVSQUSOQLT-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA CCC(=O)[C@@H]1CCCCN1C(=O)c1cncc(-c2cccc(C)c2)c1 185814643 ICAIHVVSBAIKSY-IBGZPJMESA-N 336.435 4.031 0 50 EIAA CCCC[C@@H](NC(=O)Cc1ccc(SC)cc1)c1cccnc1 223076583 SDYWEJYYVULOLX-GOSISDBHSA-N 328.481 4.394 0 50 EIAA CCCC(=O)Nc1cccc(CNCc2ccc(C)c(OC)c2)c1 239882073 DAEGEJWIMDADGB-UHFFFAOYSA-N 326.440 4.032 0 50 EIAA C[C@H](c1ccccn1)N(C(=O)NC[C@@H]1C[C@H]1c1ccccc1)C1CC1 241738548 QYLCXFPIMIRXQI-AYBZRNKSSA-N 335.451 4.120 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cnc(-c2cccs2)s1 263533617 XXTKDLWLVLBGCD-BNOWGMLFSA-N 348.493 4.089 0 50 EIAA CC[C@H]1CCCN1C(=O)c1cccc(-c2ccc(OC)cc2OC)c1 299786108 VYIQBJDKLFJUDE-KRWDZBQOSA-N 339.435 4.385 0 50 EIAA CC(C)c1nn(C)c(Cl)c1CNC[C@H]1CCO[C@@H]1c1ccccc1 328644947 ZNNILRMEBPKIBN-CRAIPNDOSA-N 347.890 4.064 0 50 EIAA CC1CCN(CCc2cccc(NC(=O)Nc3cccnc3)c2)CC1 354207407 MGLXMGAMRMEYJV-UHFFFAOYSA-N 338.455 4.000 0 50 EIAA C[C@H](CCSc1ccc(F)cc1)NCc1ccc2nc(O)[nH]c2c1 952980364 XASCQGDBBFQBAH-GFCCVEGCSA-N 345.443 4.068 0 50 EIAA Cc1cnc([C@@H](OC(=O)c2ccc(C3CC3)cc2)C(F)(F)F)o1 1875293428 QEIXQGIUTROHFC-CYBMUJFWSA-N 325.286 4.321 0 50 EIAA COc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)cc1Br 117958 APDMHZKESGQPPV-VQHVLOKHSA-N 340.261 4.116 0 50 EIAA CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 145142 AMOMKILEXBLVPX-UHFFFAOYSA-N 343.423 4.090 0 50 EIAA COc1c(Cl)cc(C(=O)Nc2cccc(C(C)=O)c2)cc1Cl 450704 ZINSQRGTUWTBKA-UHFFFAOYSA-N 338.190 4.457 0 50 EIAA O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(=O)ccc2c1 557503 OCKWPOFNUMDBSR-UHFFFAOYSA-N 345.807 4.177 0 50 EIAA O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 620206 SEMMPMQLMKQBQN-HNNXBMFYSA-N 340.379 4.472 0 50 EIAA Cc1cccc(Cn2nc(C)c(NC(=O)c3ccc(F)cc3)c2C)c1 1429200 FREUJVMCLLMBIT-UHFFFAOYSA-N 337.398 4.248 0 50 EIAA CCc1ccc(OCCNC(=O)c2cc(SC)ccc2Cl)cc1 2812369 KWBVOEMFPYSFBS-UHFFFAOYSA-N 349.883 4.433 0 50 EIAA COc1ccc([C@H](CC(=O)NCc2ccco2)c2ccccc2)cc1 2831102 ONNSTQBTSKTCDJ-HXUWFJFHSA-N 335.403 4.127 0 50 EIAA O=C(Cc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 3560964 MSLDZLNDRDCRJS-UHFFFAOYSA-N 334.297 4.248 0 50 EIAA O=C(O)C[C@H](c1cccc2ccccc12)N1Cc2ccccc2C1=O 4014627 RBFUKUAUBFQAIK-LJQANCHMSA-N 331.371 4.012 0 50 EIAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNCc3cnn(C)c3)cc12 11838697 LOVURPIRBYDMQB-UHFFFAOYSA-N 348.425 4.306 0 50 EIAA Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 12429814 GAUQKQBCJZWGHO-HNNXBMFYSA-N 348.393 4.055 0 50 EIAA O=C1C[C@H](c2ccccc2)Cc2nc(Nc3ccc(F)cc3)ncc21 13369953 XLVOZQLTJWGIET-CQSZACIVSA-N 333.366 4.272 0 50 EIAA O=C(NC1CCCCCCC1)C1CCN(Cc2ccccc2)CC1 16607320 ULPSSKRLOJJMMQ-UHFFFAOYSA-N 328.500 4.128 0 50 EIAA Sc1nnc(-c2ccc(OC3CCCC3)cc2)n1Cc1ccco1 17071422 TYJCNMWVMWQLQG-UHFFFAOYSA-N 341.436 4.197 0 50 EIAA O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1c1ccccc1 22206005 OOAKBHCUHNDFNU-UHFFFAOYSA-N 340.338 4.295 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)c(OC)c1 36619748 PPZBHYRFRXZQDL-SFHVURJKSA-N 340.423 4.381 0 50 EIAA OCCCn1cnc(-c2ccccc2)c1-c1coc(-c2ccccc2)n1 65453585 DUGKSHXNCZOYQP-UHFFFAOYSA-N 345.402 4.255 0 50 EIAA O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@H]1c1ccccc1F 110567673 ZDPFMJGASHZKJV-WAOWUJCRSA-N 346.405 4.230 0 50 EIAA COC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 137743001 SDWSZJWFZPCWBL-UHFFFAOYSA-N 347.330 4.078 0 50 EIAA C[C@H](CNC(=O)[C@@H]1CSc2ccccc21)c1ccc(F)cc1F 174324528 MNZOHXGPNRRYQX-IAQYHMDHSA-N 333.403 4.074 0 50 EIAA Fc1ccc(-n2cc(CN3CCCC[C@@H]3c3cccnc3)cn2)cc1 215144687 FODYPYXQIVPOBF-HXUWFJFHSA-N 336.414 4.134 0 50 EIAA Clc1cccc([C@@H](NCc2nnc3n2CCCC3)C2CCCC2)c1 253418052 HYTJCHNDOCSCBL-IBGZPJMESA-N 344.890 4.289 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2F)n1 257365268 YISLYXFIZCOVDL-ZOBUZTSGSA-N 344.455 4.448 0 50 EIAA C[C@@H]1CN(C)CCCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 299756312 LLYLYNXRQQHOLD-OAHLLOKOSA-N 341.430 4.051 0 50 EIAA N=C(O)[C@@H]1CCC[C@@H](C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)C1 333993320 LSIDVUFFUVRONF-KZNAEPCWSA-N 340.467 4.124 0 50 EIAA CSc1cccc(NC(=O)[C@@H](C)N2CCCc3ccccc3C2)c1 498928068 HYVYKPPTTJHWEL-OAHLLOKOSA-N 340.492 4.184 0 50 EIAA COc1cccc([C@@H]2CCN(Cc3cccc(SC)c3)C2)c1OC 1506419809 KARMDGFLEMCSSU-MRXNPFEDSA-N 343.492 4.415 0 50 EIAA Cc1ccc(F)c(-c2noc([C@H](C)n3ccc(C(F)(F)F)n3)n2)c1 1875331546 MSFKDDXBSBCABX-VIFPVBQESA-N 340.280 4.009 0 50 EIAA COc1ccc2c(N3CCCC[C@H]([C@@H]4CCOC4)C3)cc(C)nc2c1 1875408469 XKEZSXMGKTVBPF-DLBZAZTESA-N 340.467 4.195 0 50 EIAA Cc1nc2ccccn2c1C(=O)OCc1cccc(-c2cccnc2)c1 2325855584 GZEUDVLHFFYHPQ-UHFFFAOYSA-N 343.386 4.062 0 50 EIAA Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1 116841 IBDIRAVTSVMOIE-UHFFFAOYSA-N 328.371 4.067 0 50 EIAA COc1cccc(CNc2ccc(Br)c(C)c2)c1OC 263189 XEWRAZKWTVVWOU-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA COc1ccc(CCC(=O)NCc2ccc(Cl)c(Cl)c2)cc1 1200306 LMIOQAXCVIVRCE-UHFFFAOYSA-N 338.234 4.251 0 50 EIAA CCCCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 1770685 XUPZEUYOJBLEME-NSHDSACASA-N 339.457 4.398 0 50 EIAA FC(F)(Br)CC(F)(F)CC(F)(F)Br 2560311 XYMBGGTVDWPIBA-UHFFFAOYSA-N 337.883 4.377 0 50 EIAA in-vitro CC[C@@H](C(=O)Nc1nnc(CC2CCCC2)s1)c1ccccc1 2789415 YNSVFQBJZPHKJW-OAHLLOKOSA-N 329.469 4.403 0 50 EIAA Cc1cc(C)c(OCCCCn2cnc3ccccc3c2=O)c(C)c1 2863212 KQCZXYHWTUJZPY-UHFFFAOYSA-N 336.435 4.181 0 50 EIAA CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1C 4884433 QMNIDUAGRSRELS-UHFFFAOYSA-N 334.419 4.006 0 50 EIAA COc1ccc(OC)c([C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 5028116 JSCVHYBJWHGSCM-JHMRYYBSSA-N 343.467 4.097 0 50 EIAA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1 5720631 KRQXDQYKDADSGO-JXMROGBWSA-N 332.197 4.110 0 50 EIAA c1ccc(COc2cccc(-c3nc(-c4cccnc4)no3)c2)cc1 6729531 LDHPAXOSPYTZIH-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)n1 9224947 DEHBDTRDICBAGS-JTQLQIEISA-N 339.823 4.005 0 50 EIAA FC(F)(F)c1cccc(-c2ccc(CNC[C@@H]3CCCO3)o2)c1 10434612 MTDDKIWXTNQNIX-AWEZNQCLSA-N 325.330 4.234 0 50 EIAA COc1cc(CNC(=O)c2ccccc2SC)ccc1OC(C)C 10542681 CKVWPZMWHYVLHV-UHFFFAOYSA-N 345.464 4.134 0 50 EIAA CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)cc2)c1C 11690228 UHUWCISSMSUAKL-UHFFFAOYSA-N 334.423 4.007 0 50 EIAA C[C@H](Cc1cc(C(=O)NCc2cccc(F)c2)on1)c1ccccc1 12036405 IYAVLDJNHSCZOJ-CQSZACIVSA-N 338.382 4.090 0 50 EIAA Cc1ccccc1[C@@H](CC(=O)NCc1ccncc1)c1ccccc1 12449416 IYWBVZAAQQWHDP-NRFANRHFSA-N 330.431 4.228 0 50 EIAA S=c1[nH]nc(-c2csc3c2CCCCC3)n1C[C@@H]1CCCO1 19737340 YZJULCVAXFVLTL-NSHDSACASA-N 335.498 4.117 0 50 EIAA Cc1c(Cl)ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)c1C 20167179 PSYQTMZSCPLXOX-ZIAGYGMSSA-N 325.880 4.225 0 50 EIAA Cc1ccc(C)c(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 55060283 FRVYTYRUFUFCRO-RMKNXTFCSA-N 349.478 4.166 0 50 EIAA O=C(C[C@H]1C=CCC1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67856792 LHXXLTUZLPRAKV-SFHVURJKSA-N 349.478 4.063 0 50 EIAA Cn1c2c(c3cc(-c4cccc5c4CCNC5)ccc31)CCCC2=O 71758867 XLEBXBNBYZKOPR-UHFFFAOYSA-N 330.431 4.010 0 50 EIAA Cc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c(C)n1 72430369 BIHICJKRUNLRJJ-UHFFFAOYSA-N 329.407 4.249 0 50 EIAA Cc1cccc([C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)c1 72477409 ZNRGNWVTIROSLE-GOSISDBHSA-N 341.524 4.431 0 50 EIAA CCC[C@@]1(CO)CCCN(Cc2ccc(OCC)c(Cl)c2)C1 91254956 GMZWXVWYMISHHW-GOSISDBHSA-N 325.880 4.113 0 50 EIAA O=C1CC2(CCN(C3CCCC3)CC2)CN1Cc1ccc(Cl)cc1 95501341 VNVCVAWCOWRWDB-UHFFFAOYSA-N 346.902 4.097 0 50 EIAA O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC[C@H](c2ccn[nH]2)C1 114898929 KKZLLZICYHDUPB-SFHVURJKSA-N 346.434 4.488 0 50 EIAA O=C(Oc1cccc(Nc2nc(-c3ccccn3)cs2)c1)C1CC1 169849645 DPAUKAWKCZNOTQ-UHFFFAOYSA-N 337.404 4.264 0 50 EIAA O=C(Nc1nccn1-c1ccccc1)c1csc(-c2ccccc2)n1 170614309 ZBDCHTOQSBXRSU-UHFFFAOYSA-N 346.415 4.248 0 50 EIAA C[C@@H](Nc1cc(F)cc(N2CCOCC2)c1)c1ncc(C(C)(C)C)o1 177441573 XPQNRNUQKMRNAZ-CYBMUJFWSA-N 347.434 4.121 0 50 EIAA CN(Cc1cc(-c2ccco2)on1)[C@@H]1CCCN(c2ccccc2)C1 177794842 UNMIUXRVZJUSKW-GOSISDBHSA-N 337.423 4.035 0 50 EIAA CC[C@H](c1cccnc1)N(C)C(=O)c1cnc(C)nc1-c1ccccc1 215793943 KLAFOJBHJUQZSQ-LJQANCHMSA-N 346.434 4.070 0 50 EIAA Cc1cccc(C(C)C)c1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 225696004 XZAOBSOSERQNKI-UHFFFAOYSA-N 346.374 4.266 0 50 EIAA COc1cc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc(OC)c1OC 239433415 XQRWVLYBJVRVPB-IXDOHACOSA-N 333.472 4.161 0 50 EIAA CCN(Cc1ccccc1)C(=O)Nc1cc(CCC(C)C)nn1C 252498458 RCNKIUURMZRCHA-UHFFFAOYSA-N 328.460 4.063 0 50 EIAA CC1(C)[C@@H](C(F)(F)F)CCN1Cc1c(C(=O)O)oc2ccccc12 392281690 SSRXEUKVPBOVIT-ZDUSSCGKSA-N 341.329 4.294 0 50 EIAA C[C@]1(Cc2cc(Cl)cs2)CCCN1Cc1ccoc1C(=O)O 903934130 JROBJCNIQPLADK-MRXNPFEDSA-N 339.844 4.290 0 50 EIAA COc1cc(C(=O)N[C@@]2(C)CC[C@@H](C)C2)ccc1OC1CCCC1 1875356179 IIUGQQFTGVQURN-VLIAUNLRSA-N 331.456 4.325 0 50 EIAA OC[C@@H](Cc1ccccc1)Nc1cc(C(F)(F)F)nc2ccccc12 2325735151 AOCLWDKWHXBZKY-CQSZACIVSA-N 346.352 4.269 0 50 EIAA O[C@@H](c1ccc(-c2cccc(OCCn3ccnc3)c2)cc1)C1CC1 2325755669 UBZKKDZCTDFSHN-NRFANRHFSA-N 334.419 4.073 0 50 EIAA C[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 87293 IVSIHDBMSUYSAH-JTQLQIEISA-N 328.462 4.235 0 50 EIAA in-vitro COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 101561 HALSRJIYUZLPOS-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA biogenic,in-vitro CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 129752 AUCWPLDCUAFMOQ-ZDUSSCGKSA-N 331.799 4.257 0 50 EIAA O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccco1 151129 DDUINLZVLNJUGA-UHFFFAOYSA-N 349.209 4.418 0 50 EIAA Cc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 452919 VJHFIVOAYPTJOT-UHFFFAOYSA-N 326.465 4.419 0 50 EIAA Cc1cc2c3c(c1)[C@@]1(Nc4ccccc4CO1)C(=O)N3C(C)(C)C[C@@H]2C 1063586 PIACQVUHEZGCDQ-FPTDNZKUSA-N 348.446 4.423 0 50 EIAA CCCN(CCC)C(=O)c1ccc(C(=O)N(CCC)CCC)cc1 1225912 UYXVJEPJWPHBQJ-UHFFFAOYSA-N 332.488 4.211 0 50 EIAA CCOCCCNCc1ccccc1OCc1ccc(Cl)cc1 2178110 DHHHXLKGKKHCHV-UHFFFAOYSA-N 333.859 4.435 0 50 EIAA CCc1c(C)sc2ncn3nc([C@@H]4C[C@@H]4c4ccccc4)nc3c12 2805482 WPZNERJASZDRAG-HUUCEWRRSA-N 334.448 4.481 0 50 EIAA COc1ccc(CNc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 4841904 ORVUCIWLWAEVMG-UHFFFAOYSA-N 336.391 4.461 0 50 EIAA COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 4868777 SYLFFWZKDFPKNF-ZDUSSCGKSA-N 333.815 4.371 0 50 EIAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(C)=O)cc1 4868883 DRXMGVMBQMSIIR-UHFFFAOYSA-N 338.190 4.457 0 50 EIAA COc1ccccc1-c1nccn1CC1(c2ccccc2)CCOCC1 71497795 HQPFECSAUJPPDQ-UHFFFAOYSA-N 348.446 4.307 0 50 EIAA CCc1noc(C)c1C(=O)N1CCC(Sc2ccccc2C)CC1 77437842 HRAAQKVQAPCFNF-UHFFFAOYSA-N 344.480 4.251 0 50 EIAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 77520231 GGSSTRZHJFKKJX-SFHVURJKSA-N 343.446 4.218 0 50 EIAA CCCO[C@H]1CCCN(C(=O)Nc2ccc(-c3cscn3)cc2)C1 96180671 SHWWBLVBIIDHOZ-INIZCTEOSA-N 345.468 4.233 0 50 EIAA COc1ccc2[nH]cc(C3CCN(c4ccnc(C5CC5)n4)CC3)c2c1 110272757 UTLIEVNVOGIOMT-UHFFFAOYSA-N 348.450 4.228 0 50 EIAA Cc1ccc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1-c1ncco1 157697280 FFWJFCMMISDFQT-GFCCVEGCSA-N 338.411 4.122 0 50 EIAA COCc1cc(CN(C)[C@H](C)c2ccccc2OC)ccc1OC 230492516 JQSRYRGXKMJBNQ-OAHLLOKOSA-N 329.440 4.043 0 50 EIAA CCc1ccccc1NC(=O)CCN1CCCC[C@@H]1c1cc(C)on1 244758085 OSCSXYDEIFOYPB-LJQANCHMSA-N 341.455 4.101 0 50 EIAA CN(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl 248072254 AZUUCQLAJDDBSG-UHFFFAOYSA-N 342.197 4.170 0 50 EIAA CC[C@H](NC(=O)CCSCc1ccccc1)c1cccc(C)n1 299758829 QGWDBOPJUNUPFG-KRWDZBQOSA-N 328.481 4.281 0 50 EIAA Cc1cccc([C@H]2CCCN(C(=O)Nc3cccc4cn[nH]c34)C2)c1 299766366 DAEMUDLYYGOIDO-KRWDZBQOSA-N 334.423 4.283 0 50 EIAA CSc1ccccc1-c1cccc(C(=O)NCC[C@H]2CCOC2)c1 299782470 SVPHYMCHSKXXKO-HNNXBMFYSA-N 341.476 4.232 0 50 EIAA CCC(C)(C)C1CCC(CC(=O)N2CCC(n3cncn3)CC2)CC1 328586270 LWOAYTOMTHOETN-UHFFFAOYSA-N 346.519 4.074 0 50 EIAA Cc1ccc(-c2cnn(-c3ccc(C(=N)N)c(C(F)(F)F)c3)c2)cc1 328596965 BXLRSNPCWQFBEC-UHFFFAOYSA-N 344.340 4.151 0 50 EIAA CC(C)c1ncc(-c2ccc(C(=O)N(C)Cc3ccon3)cc2)s1 534659658 MMGYWYNVXWTEIL-UHFFFAOYSA-N 341.436 4.194 0 50 EIAA O=C(Cc1cc2ccccc2o1)N[C@@H]1CCCOc2cc(F)ccc21 679069545 CKURJJHDXJEZRL-QGZVFWFLSA-N 339.366 4.145 0 50 EIAA Cc1nc(C(=O)NCc2ccccc2)c(-c2ccc(F)cc2)s1 888103816 AUOPHKZLNTWTLI-UHFFFAOYSA-N 326.396 4.188 0 50 EIAA CC(C)[C@H]1CN(C(=O)c2cccn2C2CC2)C[C@@H](c2ccccc2)O1 1529199164 XKIMFWIMAURFSD-UXHICEINSA-N 338.451 4.061 0 50 EIAA c1cc(OCCn2ccnc2)cc(-c2cccc(N3CCCC3)c2)c1 2325755666 PAMIJRJGFZUKFK-UHFFFAOYSA-N 333.435 4.229 0 50 EIAA C[C@H](SCc1ccc(C(F)(F)F)c(Cl)c1)C(=O)N1CCC1 2325817127 PGDRWPFNYSOQFO-VIFPVBQESA-N 337.794 4.213 0 50 EIAA Cc1cnn2c1CN(c1nc(-c3ccc(C(C)C)cc3)cs1)CC2 2325866587 QKRWSHKREXRNTI-UHFFFAOYSA-N 338.480 4.459 0 50 EIAA CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 55167 QCYWYEQBHUMGAG-UHFFFAOYSA-N 342.445 4.230 0 50 EIAA CCCN(CCC)C(=O)c1c(NC(C)=O)sc2c1CCCCC2 130302 RNFLBZGXXDZDHR-UHFFFAOYSA-N 336.501 4.238 0 50 EIAA CCc1cccc(C)c1NC(=O)COc1ccccc1Br 141194 VUVDVTBZBBVZBR-UHFFFAOYSA-N 348.240 4.337 0 50 EIAA Cc1cc(I)ccc1NC(=O)C1CCCCC1 141594 TZIAVVBQMOEAQI-UHFFFAOYSA-N 343.208 4.118 0 50 EIAA CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 475174 BJXAEPNPZOHHLZ-UHFFFAOYSA-N 338.451 4.073 0 50 EIAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1F 475995 ZSMRCDPTDNUBDG-JTQLQIEISA-N 325.742 4.333 0 50 EIAA COc1cc(Oc2nc(C(F)(F)F)nc3ccccc23)ccc1C=O 1398403 WWAKQRYDUYTNGI-UHFFFAOYSA-N 348.280 4.262 0 50 EIAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 2827572 KBQLUYUDNMUBRO-OAHLLOKOSA-N 331.437 4.042 0 50 EIAA Cc1ccccc1-n1c(/C=C/c2cccnc2)nc2ccccc2c1=O 4018972 NTTMMVLSCIRXNE-OUKQBFOZSA-N 339.398 4.260 0 50 EIAA Cc1cc2c(SCC(=O)Nc3ccc(C)c(C)c3)ncnc2s1 4488372 LUOGQCOJFBXWEO-UHFFFAOYSA-N 343.477 4.347 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(F)c1 6700084 RAVFBMBZWNBAHF-UHFFFAOYSA-N 341.386 4.096 0 50 EIAA COc1ccc(O[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 12380740 JDZXHVGECZMATB-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA COc1ccc(-c2nc(CN3C[C@@H]4CCC[C@H]3C4)c(C)o2)cc1OC 12747028 WEFJKZWIDJTRMJ-ZBFHGGJFSA-N 342.439 4.042 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C=CCC[C@]4(C)[C@@H]3CC[C@]12C 19911695 NYAVTQHXZMLSRY-TWTNYRSZSA-N 328.452 4.084 0 50 EIAA COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccs2)cc1 36360606 YPSIPMZCPCPUTJ-CYBMUJFWSA-N 325.393 4.066 0 50 EIAA O=C(Cn1ccc2cccc(F)c21)Nc1ccnn1C1CCCCC1 48488472 KSGMRZCZLYOGAD-UHFFFAOYSA-N 340.402 4.121 0 50 EIAA Cc1ccc2nc(C)c(C(=O)N(C)[C@H](C)c3c(C)n[nH]c3C)cc2c1 55212095 ZOXGZFUCCORFKJ-OAHLLOKOSA-N 336.439 4.025 0 50 EIAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CN1[C@H](C)c1ccccc1 55345594 BLLGOPLLCDRJQD-OOYAWMOSSA-N 329.484 4.436 0 50 EIAA biogenic,in-vitro Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)cc1O 71745667 JRKHSQGIDRKWOC-INIZCTEOSA-N 341.426 4.325 0 50 EIAA CCCN(Cc1ccsc1)C(=O)[C@@H](c1ccccc1C)N(C)C 95530101 HJKDNYIHTHKQBC-GOSISDBHSA-N 330.497 4.098 0 50 EIAA CCNCCO[C@@H](c1ccccc1)c1ccc(Br)cc1 96027132 RRGIMYFMDSQBKH-KRWDZBQOSA-N 334.257 4.165 0 50 EIAA Cc1c(Cl)ccc(NC(=O)N2CCC[C@H](N(C)C)CC2)c1Cl 96137396 JECWQNZZQKTGMW-LBPRGKRZSA-N 344.286 4.250 0 50 EIAA COc1cc(-c2ccc(CC(=O)N(C)C)cc2)cc(C(F)(F)F)c1 96164959 JGXBKUSAPVFCQC-UHFFFAOYSA-N 337.341 4.012 0 50 EIAA Fc1ccc(COC2CCN(CCc3ccccc3F)CC2)cc1 681119725 LBBUVJDKJZMSTR-UHFFFAOYSA-N 331.406 4.189 0 50 EIAA CN(C)c1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325823794 FEQJPIXHTDFAJN-UHFFFAOYSA-N 330.844 4.090 0 50 EIAA C[C@@H]1Cc2c(Cl)cccc2[C@@H]1NC(=O)c1nnc(C(C)(C)C)s1 2325873678 PRVIWUFFDOKCBV-NOZJJQNGSA-N 349.887 4.152 0 50 EIAA CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1 156831 MXYUKLILVYORSK-HKBOAZHASA-N 337.463 4.236 0 50 EIAA biogenic,in-man Cc1ccc(C(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1 207230 DIRYCBCXYKXNCT-UHFFFAOYSA-N 345.427 4.480 0 50 EIAA Cc1cc(OCC(=O)c2ccc(F)cc2)c2c(C)c(C)c(=O)oc2c1 488568 PJGWSGPSDQMTAR-UHFFFAOYSA-N 340.350 4.119 0 50 EIAA biogenic COc1ccccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 610532 LZCRRBTYEXGIKW-UHFFFAOYSA-N 340.370 4.201 0 50 EIAA COc1ccccc1C(=O)Oc1ccccc1C(=O)Nc1ccccc1 612544 LBCIGCZAEAZVIP-UHFFFAOYSA-N 347.370 4.167 0 50 EIAA CCCCCCOc1ccccc1NC(=O)O[C@H]1CN2CCC1CC2 4566638 IFQNIPQGVPLRDO-IBGZPJMESA-N 346.471 4.288 0 50 EIAA CC[C@@H](C)Sc1nnc(NC(=O)CSc2ccccc2)s1 4731662 ASOLDDZRFSLQEC-SNVBAGLBSA-N 339.511 4.160 0 50 EIAA COc1cc(CNc2ccc(F)c(F)c2)cc(Br)c1O 4989314 BPZFMVYKPPGNMH-UHFFFAOYSA-N 344.155 4.054 0 50 EIAA CCCCN(CC)CCCNC(=O)c1csc2c1CCCCC2 5070440 CZRWBCTYEUGMBD-UHFFFAOYSA-N 336.545 4.259 0 50 EIAA O=C(O)c1ccccc1C1c2ccc(O)cc2Oc2cc(O)ccc21 5847030 MURGITYSBWUQTI-UHFFFAOYSA-N 334.327 4.082 0 50 EIAA biogenic,in-vivo O=C(O)c1cc(Br)ccc1OCc1ccccc1Cl 7604016 PXGMUUNXLCEOBW-UHFFFAOYSA-N 341.588 4.380 0 50 EIAA c1ccc(-c2nn(-c3ccccc3)[n+](-c3cccc4ccccc34)n2)cc1 12358781 YOJRTDXCZANBTO-UHFFFAOYSA-N 349.417 4.364 0 50 EIAA in-vitro CCn1cc(-c2cc(C(=O)NC3CCCC3)c3cc(C)ccc3n2)cn1 32540711 QXAMNLCYDHACNS-UHFFFAOYSA-N 348.450 4.099 0 50 EIAA OCC1(CCc2ccccc2)CCN(c2ccc3ccccc3n2)CC1 67434223 NCTUKXBMYSTPHF-UHFFFAOYSA-N 346.474 4.447 0 50 EIAA Cc1[nH]c2ccccc2c1CCn1ccnc1-c1ccccc1C(=O)O 71439633 UQJYVBCAAKMPES-UHFFFAOYSA-N 345.402 4.281 0 50 EIAA Cc1ccccc1-c1ncc(-c2nccn2CC[C@H]2CCCCO2)cn1 71756996 DTRQNSMQXLBSMZ-GOSISDBHSA-N 348.450 4.275 0 50 EIAA COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccccn3)c(C)o2)cc1 72161148 GNLHYIGCLUNMSU-HXUWFJFHSA-N 349.434 4.391 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)CCc2c[nH]c3ccccc23)c(C)s1 82147645 HIXHITBDQFKVNT-GFCCVEGCSA-N 341.480 4.393 0 50 EIAA Cc1nccc(-c2cccc(NC(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)c2)n1 95499669 XKXXTUCDDVCDBY-IXDOHACOSA-N 348.450 4.176 0 50 EIAA C[C@H](OCc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C 170604752 PCHMLULVPWRESZ-KBPBESRZSA-N 329.827 4.223 0 50 EIAA Cn1ccnc1CN(C(=O)c1ccc(-c2cccc(F)c2)cc1)C1CC1 220417395 OZCGQIOMXHGUIU-UHFFFAOYSA-N 349.409 4.031 0 50 EIAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cc2ccccc2[nH]1 253403313 HBUAVCISAIJFAY-GOSISDBHSA-N 329.403 4.457 0 50 EIAA biogenic CCN(C(=O)c1csc(C(F)(F)F)n1)c1ccc2[nH]ccc2c1 253416515 HSLBMIYEJIMYMA-UHFFFAOYSA-N 339.342 4.310 0 50 EIAA CCCc1nc(C)c(C(=O)N2CCCCC[C@@H]2c2ccncc2)o1 292734058 QEPUEYGRJVFNRD-MRXNPFEDSA-N 327.428 4.088 0 50 EIAA O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@H]1CCCOCC1 368470200 LBPOEKZDHGUZOD-NSHDSACASA-N 336.844 4.219 0 50 EIAA Cc1ccc(C(=O)N(C)Cc2cccc3cnccc23)n1C(F)F 952973848 HYRDSJWXZMTAPV-UHFFFAOYSA-N 329.350 4.012 0 50 EIAA CCSCc1nnc2sc(-c3ccc(C(F)(F)F)cc3)nn12 1772491388 LQOJMXDCAXYMNL-UHFFFAOYSA-N 344.387 4.125 0 50 EIAA O=C(NC[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 1775976284 PXURGCHUVHGTIS-NQYYFHDYSA-N 325.839 4.363 0 50 EIAA O=C(N[C@@H](Cc1ccncc1)CC1CCCC1)[C@@H]1CC12CCCC2 1875261811 HLKBCGZWRXKTBW-MOPGFXCFSA-N 326.484 4.270 0 50 EIAA Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(Cl)c2)s1 91842 NUASWOCHBCTNDY-UHFFFAOYSA-N 347.802 4.437 0 50 EIAA C[C@H]1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C[C@H](C)O1 110859 AVGKSJIJRPKZAM-HOTGVXAUSA-N 346.430 4.151 0 50 EIAA CCOc1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 132024 HWZCWWONCJCWPK-UHFFFAOYSA-N 340.206 4.410 0 50 EIAA COc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 258939 MYVCXBAVIDZXTG-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCOc1ccccc1NS(=O)(=O)c1cc(C(C)C)ccc1C 310527 LFIZPKVCNRWBDM-UHFFFAOYSA-N 333.453 4.318 0 50 EIAA O=C(CCC1CCCC1)Nc1ccc(I)cc1 375268 UOPWYCNNPVNCJB-UHFFFAOYSA-N 343.208 4.200 0 50 EIAA Cc1ccc2oc(-c3cccc(NC(=O)c4ccncc4)c3)nc2c1 451271 UYROPTDDZWWIDQ-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA Cc1nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1C 1440015 YCVXVBSPSLHMID-UHFFFAOYSA-N 343.496 4.030 0 50 EIAA Cc1cccc(-c2noc(CNC(=O)c3cccc4ccccc34)n2)c1 4851040 GMIPUIJGDJCGOP-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2F)CC1 6714601 IISRMIYSLYWBPM-UHFFFAOYSA-N 347.821 4.142 0 50 EIAA CC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C12CC3CC(CC(C3)C1)C2 8326963 CYPGPJKQWSWMHC-BCFZYGEVSA-N 349.906 4.107 0 50 EIAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)c1C 11817263 NEFQKOSNYTYFDP-IBGZPJMESA-N 332.451 4.051 0 50 EIAA Clc1ccccc1[C@H]1CCN(Cc2nc(-c3cccs3)no2)C1 20452560 VKHGZASQUGBVCA-LBPRGKRZSA-N 345.855 4.441 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)c(OC)c1 36619749 PPZBHYRFRXZQDL-GOSISDBHSA-N 340.423 4.381 0 50 EIAA COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1ccccc1Cl 36621117 OLOLATQSFRXYGA-HNNXBMFYSA-N 345.826 4.335 0 50 EIAA CN1C(=O)C(c2ccccc2)(c2ccccc2)C=C1c1ccccc1 38337759 CYNNZUKBFVAPAF-UHFFFAOYSA-N 325.411 4.486 0 50 EIAA COc1ccc(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c(F)c1 67842870 PKQVTVJZAVBHNF-UHFFFAOYSA-N 329.375 4.166 0 50 EIAA Cc1csc(-c2cccc(NC(=O)CC3(C(=O)O)CCCC3)c2)n1 169975544 TYVXGHSSMHUIBO-UHFFFAOYSA-N 344.436 4.092 0 50 EIAA O=C(Nc1ncc(Cc2ccccc2)s1)N[C@H]1C[C@@H]1c1ccccc1 170593188 ZKGYLYBJHATEHU-MSOLQXFVSA-N 349.459 4.412 0 50 EIAA CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 211620108 IVDOZFZZPLFGJK-GFCCVEGCSA-N 326.234 4.174 0 50 EIAA CCCc1nc(C(=O)N(Cc2ccccn2)C2CCCCC2)cs1 215482833 JDJBJPCGZGGGHI-UHFFFAOYSA-N 343.496 4.466 0 50 EIAA CCOCc1ccccc1NC(=O)Nc1cc(CCC(C)C)n[nH]1 240465857 GAVKVAQECHOGSV-UHFFFAOYSA-N 330.432 4.179 0 50 EIAA Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1Cl 243267226 KWNCYVVIXKBXBZ-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA Cc1cc(C(=O)N[C@@H]2CCOc3c(F)cccc32)c(C)n1C(C)C 253393754 ODYNQJYCMCYYAU-QGZVFWFLSA-N 330.403 4.079 0 50 EIAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2CCCc2ccccc2)s1 263574309 NLJVNKWFSNSWGX-OAHLLOKOSA-N 343.448 4.074 0 50 EIAA FC(F)c1nnc(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)o1 292988961 IJYFSGODXIECHP-QMMMGPOBSA-N 349.168 4.005 0 50 EIAA CCCCN(Cc1ccco1)C(=O)c1cccc(-c2cnn(C)c2)c1 426651171 APHBNCCEUDKVRC-UHFFFAOYSA-N 337.423 4.123 0 50 EIAA Cc1c(CNC2CCN(Cc3cccs3)CC2)[nH]c2ccccc12 952986405 ZTSRJKOEKAHDIK-UHFFFAOYSA-N 339.508 4.292 0 50 EIAA CC(C)n1cc(NC(=O)[C@H](C)SCc2ccc(Cl)cc2)cn1 1506404179 BGPOVKCDCQELSW-LBPRGKRZSA-N 337.876 4.378 0 50 EIAA O[C@@H](CN1CCc2ccccc21)Cn1c2ccccc2c2ccccc21 1775967676 GGZYWFSYMQSEIF-SFHVURJKSA-N 342.442 4.218 0 50 EIAA CC(C)N(C(=O)c1nnc2ccccc2c1O)c1ccc(Cl)cc1 1776005649 FHUSGOWREALKJX-UHFFFAOYSA-N 341.798 4.044 0 50 EIAA COc1ccc(C2(N[C@H]3CCc4cc(F)c(OC)cc43)CCC2)cc1 2325827301 BQQDPJCEHOXXPF-IBGZPJMESA-N 341.426 4.499 0 50 EIAA COC(=O)CCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 2325840900 WULRLPMDYGHCOF-IUODEOHRSA-N 330.255 4.172 0 50 EIAA CCN(Cc1cccn2nccc12)[C@H](C)Cc1ccc(F)cc1F 2325878508 RWZCPSJTWCQNFD-CQSZACIVSA-N 329.394 4.066 0 50 EIAA CC[C@H](C)N=c1[nH]nc(S[C@H](C)C(=O)c2cc(C)cc(C)c2)s1 2325898937 FQXXYBDNDTZIDQ-QWHCGFSZSA-N 349.525 4.151 0 50 EIAA COc1cccc(Nc2ncnc3ccc(Br)cc23)c1 99118 OHDCCQWORSBHJT-UHFFFAOYSA-N 330.185 4.145 0 50 EIAA CSc1cc(C)c(OC(=O)Nc2c(C)cccc2C)c(CO)c1 400288 TWBGTMRXYHDLHK-UHFFFAOYSA-N 331.437 4.437 0 50 EIAA CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 611000 NZKAZZXDXRJUAP-UHFFFAOYSA-N 340.448 4.161 0 50 EIAA CC(C)NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 1061338 QEJWEEHIVCFFDO-UHFFFAOYSA-N 331.803 4.122 0 50 EIAA Cc1ccccc1-n1nc(-c2ccc(Br)cc2)cc1N 2566632 HNKASATVUCYWHN-UHFFFAOYSA-N 328.213 4.192 0 50 EIAA Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)c1C 4565091 MVBJAPWJNOFGMS-UHFFFAOYSA-N 337.448 4.424 0 50 EIAA COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 4868775 SYLFFWZKDFPKNF-CYBMUJFWSA-N 333.815 4.371 0 50 EIAA Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)c(O)c1 5635232 NANWEAKYMGHSNN-UHFFFAOYSA-N 338.260 4.313 0 50 EIAA Cc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1C 8021753 AFCWCTLJUVOWSN-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA CC(C)C[C@H](O)c1ccc2c(c1)CN(CCc1ccccc1)CCO2 11882474 VVVHJUNQTPTRNW-NRFANRHFSA-N 339.479 4.203 0 50 EIAA O[C@@H]1C[C@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 25762869 MAOWNDYORGAXCL-OFNKIYASSA-N 328.411 4.250 0 50 EIAA COCCN(Cc1ccc(C)cc1)Cc1cc(Cl)c(O)c(OC)c1 55199621 YCEYDOGATILMAN-UHFFFAOYSA-N 349.858 4.011 0 50 EIAA c1ccc(CCc2n[nH]c(-c3ccc([C@@H]4CCCO4)s3)n2)cc1 65468299 ZMLURZGERLWQOR-AWEZNQCLSA-N 325.437 4.170 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)Cc1ccnn1-c1ccccc1 72122375 IYKPKXWJJHGQJV-UHFFFAOYSA-N 344.418 4.159 0 50 EIAA Cn1ncc2c(NCc3cccc4[nH]ccc34)nc(C3CCCC3)nc21 72425809 FMBRBICTQSZQEU-UHFFFAOYSA-N 346.438 4.114 0 50 EIAA c1ccc2[nH]c(C3CN(Cc4ccc([C@@H]5CCCO5)s4)C3)nc2c1 97117079 SZUAFOZZHZJHCW-KRWDZBQOSA-N 339.464 4.075 0 50 EIAA CC[C@H](c1ccc(OC)cc1)N(C)C(=O)c1cccc(-c2ncc[nH]2)c1 97675455 DJIDGKFLYAOAGB-LJQANCHMSA-N 349.434 4.309 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C 101376198 FVAOBAAJFRWURS-COPLHBTASA-N 330.255 4.456 0 50 EIAA Cc1cccc([C@@H](NC(=O)Nc2ccncc2C)c2ccccn2)c1 121750072 MRPXHZBRDFPDAZ-LJQANCHMSA-N 332.407 4.005 0 50 EIAA Cc1cc(C(=O)N(c2ccccn2)C2CCCC2)nn1-c1ccccc1 154679274 CLYLXQHAPAROMD-UHFFFAOYSA-N 346.434 4.165 0 50 EIAA O=C(Nc1ccsc1)N1CCC(CN2CCc3ccccc32)CC1 157440616 SILGVXJOKWNDFI-UHFFFAOYSA-N 341.480 4.055 0 50 EIAA CCc1cccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1 169775609 MMOSJARVKHSBIT-UHFFFAOYSA-N 343.390 4.500 0 50 EIAA O=C(Nc1ccc(-c2nc(-c3cnccn3)cs2)cc1)c1ccco1 225455156 FUUSMRWCFZCFJT-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA O[C@H](C[C@@H]1CCCCCN1Cc1ncc(C2CC2)o1)c1ccco1 253416133 WJVHRCCVMUSQPT-JKSUJKDBSA-N 330.428 4.013 0 50 EIAA CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2cn(C)nc2C)cc1 534590635 BRZDJSIKEAJQPK-FQEVSTJZSA-N 348.450 4.014 0 50 EIAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCC2(CCCC2)C1 822560096 VIUUPNYAGYQXQW-HNNXBMFYSA-N 328.456 4.078 0 50 EIAA C[C@@]1(C(=O)Nc2ccccc2OCCCc2ccccc2)CCCO1 827660303 VBNNZEIRHMJYEW-NRFANRHFSA-N 339.435 4.206 0 50 EIAA COc1ccc(-c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)no2)cc1 1361000774 AANFGIXPOKRONH-UHFFFAOYSA-N 348.280 4.020 0 50 EIAA Cc1nc(CCC(=O)N2C[C@H](c3ccccc3)c3ccccc32)[nH]c1C 2325773535 RFDQTWQJUALAIU-LJQANCHMSA-N 345.446 4.138 0 50 EIAA CC(=O)c1cccc(NC(=O)c2ccc(C)c(Br)c2)c1 38577 RDIWDMDQXFSDOG-UHFFFAOYSA-N 332.197 4.212 0 50 EIAA CC(=O)c1cccc(N2COc3ccc(Br)cc3C2)c1 111242 UEWLJQVWEQZRTE-UHFFFAOYSA-N 332.197 4.008 0 50 EIAA CCOc1cc(C=O)ccc1OCc1ccc(Br)cc1 151821 USTZMMKVTMZRBK-UHFFFAOYSA-N 335.197 4.239 0 50 EIAA Cc1cccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)c1 241278 NQNINZDZODJNHP-UHFFFAOYSA-N 344.370 4.170 0 50 EIAA CCc1ccc(-n2c(S)nnc2-c2cc(Cl)ccc2OC)cc1 462892 XRMGFBUFGKHEMX-UHFFFAOYSA-N 345.855 4.447 0 50 EIAA O=C(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)OCO2 476734 JCFUIHOFEZVWSM-UHFFFAOYSA-N 333.343 4.460 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1Cl 557852 QLESZPQFMVNLSK-UHFFFAOYSA-N 339.620 4.367 0 50 EIAA CCOC(=O)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 618465 UYZKYYVGZOOYMO-UHFFFAOYSA-N 326.783 4.369 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2875332 OBGSXDOGZGGWDA-UHFFFAOYSA-N 347.383 4.228 0 50 EIAA CCCN(CCC)[C@@H](C)C(=O)NCC1(c2ccccc2)CCCC1 2999423 SODFWAHNAQBQBK-SFHVURJKSA-N 330.516 4.125 0 50 EIAA CCOc1cc(NC(=O)Cc2ccccc2)c(OCC)cc1[N+]#N 4577208 WGPVEGNREDZUQQ-UHFFFAOYSA-O 326.376 4.150 0 50 EIAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 4872944 VFZIWAGASKJDNQ-UHFFFAOYSA-N 349.839 4.232 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)NCC[C@@H]3CCCCO3)c(C)c2c1 15068340 ONGZHCXCMBZZGQ-ZDUSSCGKSA-N 335.831 4.392 0 50 EIAA Cc1ccc(NC(=O)c2ccco2)c(NC(=O)/C=C\c2ccccc2)c1 16285769 WFYLVYPGNRXZIM-BENRWUELSA-N 346.386 4.492 0 50 EIAA Cc1ccc(NC(=O)Cc2noc(/C=C/c3ccccc3)n2)cc1C 16578705 XQIWDRNIACHFTQ-PKNBQFBNSA-N 333.391 4.038 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(C)(C)C)on1 16579971 TVDLOIOIVTUOJJ-UHFFFAOYSA-N 325.368 4.188 0 50 EIAA CCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3ccccc3n2)cn1 20917770 SCHSFCQUGDDDDR-HNNXBMFYSA-N 348.450 4.133 0 50 EIAA CC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\CCCC(=O)O 34961891 NXFSSCYFERVGJQ-SROXAULOSA-N 336.472 4.158 0 50 EIAA in-vitro CCOc1ccccc1CN1CCC[C@H](c2n[nH]cc2CC(C)C)C1 42484224 VCJAUMOYJLFSEV-SFHVURJKSA-N 341.499 4.387 0 50 EIAA C(=C/c1ccccc1)\CN1CCC(n2cc(C3CCCC3)nn2)CC1 55074449 HKKYHSXWRGXASK-RMKNXTFCSA-N 336.483 4.286 0 50 EIAA C[C@@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1-c1ncc[nH]1 67948054 YBUBQICMWGAXBX-HNNXBMFYSA-N 338.455 4.442 0 50 EIAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]3c3ccco3)cc2)n1 72429777 FFYAMKGJPOFFOQ-IBGZPJMESA-N 349.434 4.119 0 50 EIAA Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 95626706 DDLIGBOFAVUZHB-UHFFFAOYSA-N 325.774 4.324 0 50 EIAA fda Cc1ccc([C@H](SCCN2CCOCC2)c2ccccc2)cc1 96026421 UICYDURDBQMCHN-HXUWFJFHSA-N 327.493 4.150 0 50 EIAA C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CCc2c(Cl)cccc21 171779312 IWUYAFGXUGFGGG-XIKOKIGWSA-N 344.842 4.436 0 50 EIAA Clc1cccc([C@@H]2CCN(Cc3cnc(N4CCCC4)s3)C2)c1 216459824 VMQCEJRXCPVXPR-OAHLLOKOSA-N 347.915 4.386 0 50 EIAA COc1ccc(CN[C@H](CC(C)(C)C)c2cccnc2)cc1C(=O)O 952966885 GFVIYODLEWQNSG-QGZVFWFLSA-N 342.439 4.056 0 50 EIAA O=C(Nc1c[nH]c(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21 1772718216 XYAXICYTNADRQB-UHFFFAOYSA-N 348.358 4.074 0 50 EIAA O=C(N[C@H]1CCNC2(CC2)C1)c1cc2sc3ccccc3c2s1 1875287552 OKLODCFNMVPGIQ-NSHDSACASA-N 342.489 4.130 0 50 EIAA Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccccc3)cc12 44933 UMMFGUQCEXUQLH-UHFFFAOYSA-N 347.443 4.325 0 50 EIAA COc1ccc(Cl)cc1NC(=O)COc1c(C)cc(C)cc1C 377895 FIYJTCMDGVCPTA-UHFFFAOYSA-N 333.815 4.291 0 50 EIAA Cc1nc2ccccc2c2c1C[C@@H]([C@@](C)(Cl)Br)O2 436228 HIELOUZGQULWCY-GXTWGEPZSA-N 326.621 4.197 0 50 EIAA CCOc1ccc(S(=O)(=O)Oc2c(Cl)cccc2Cl)cc1 2182590 IQDAMIMALQZWDW-UHFFFAOYSA-N 347.219 4.160 0 50 EIAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 2499088 NYVXBAIZBBHLKO-ZDUSSCGKSA-N 345.826 4.456 0 50 EIAA Cc1nc2nc(NCc3ccc(C(C)C)cc3)nn2c(C)c1Cl 3105624 FAWGFAHCGAIASS-UHFFFAOYSA-N 329.835 4.130 0 50 EIAA Clc1cccc(Cl)c1CNc1ccc(CNc2ncn[nH]2)cc1 5139122 ULOSHRCQRYCNIT-UHFFFAOYSA-N 348.237 4.336 0 50 EIAA COCC[C@@H]1CCCCN1Cc1nc(-c2ccccc2C)oc1C 12315295 QZKLBYVMKOOGPT-KRWDZBQOSA-N 328.456 4.349 0 50 EIAA COCCN(Cc1ccc(C)cc1)Cc1c(Cl)nc2sccn12 55281692 ZVWANBQSVDVLMZ-UHFFFAOYSA-N 349.887 4.006 0 50 EIAA CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 65365272 XGLAPSBVUXACDC-KRWDZBQOSA-N 349.459 4.377 0 50 EIAA CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72463742 JBAKTIYTDLPQNB-LJQANCHMSA-N 340.467 4.008 0 50 EIAA COc1cccc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)on2)c1 77377893 PNMVKSCCGXCZJS-KRWDZBQOSA-N 328.412 4.174 0 50 EIAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1ccc2oc(C)cc2c1 91706893 ZZJUSHOLSPUDRP-UHFFFAOYSA-N 339.395 4.054 0 50 EIAA Cc1cccc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)oc12 95352310 VIZLKBWRUPTEDX-UHFFFAOYSA-N 345.402 4.199 0 50 EIAA c1cc(CNc2ccc(-c3csnn3)cc2)cc(-n2cccn2)c1 119708404 HQMYCPCFNFAZLP-UHFFFAOYSA-N 333.420 4.003 0 50 EIAA O=C(Nc1ccccc1)C1CCN(Cc2cccc3[nH]ccc23)CC1 120825019 RNEYYKFRRKJQHY-UHFFFAOYSA-N 333.435 4.019 0 50 EIAA CC[C@@H](c1ccncc1)N(CC)C(=O)C[C@@H]1OCCc2ccccc21 157101741 VCZUHYUIDNPGGL-PMACEKPBSA-N 338.451 4.085 0 50 EIAA CCc1nnc(-c2cccc(NC(=O)CCc3ccc(F)cc3)c2)o1 175400536 MKRRBBFKCUBUKQ-UHFFFAOYSA-N 339.370 4.009 0 50 EIAA CC[C@@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)c1cccnc1 222502408 ZIWJWTKQZHPQQX-LJQANCHMSA-N 338.451 4.170 0 50 EIAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239331322 KMGBJUJLCHILAK-LFYQSXPISA-N 335.875 4.357 0 50 EIAA CC(C)c1cnc(NC(=O)Nc2cc(-c3cccs3)n[nH]2)s1 242001118 VDCFQECDZJUJNL-UHFFFAOYSA-N 333.442 4.362 0 50 EIAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CCCC[C@H]1c1ncc[nH]1 253429673 UKDXTWFBPVFXEN-INIZCTEOSA-N 328.391 4.185 0 50 EIAA Cc1c([C@H](NCc2cn(C(C)C)nn2)C(C)C)oc2ccccc12 289701650 KQCUPEQQENRGOR-GOSISDBHSA-N 326.444 4.401 0 50 EIAA CC(=O)c1cc(C(=O)N[C@@H]2CCCc3ccc(C)cc32)c(C)nc1C 344691555 HNANBOKNQRDGCH-HXUWFJFHSA-N 336.435 4.017 0 50 EIAA Fc1ccc([C@@H](NCc2nnc(C3CC3)s2)C2CC2)cc1Cl 451360325 YAKVHPONSCVRAU-HNNXBMFYSA-N 337.851 4.449 0 50 EIAA COc1ccc2c(c1)CCN(C(=O)c1ccc(-c3ccc(C)o3)cc1)C2 824751186 OHMPUWRMOFWSMD-UHFFFAOYSA-N 347.414 4.462 0 50 EIAA CCCn1cc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)nn1 902899497 QHARWWMUIGOCTQ-OAHLLOKOSA-N 346.438 4.176 0 50 EIAA C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1coc2ccccc12 924664348 KSCVLZQJBZOACJ-OAHLLOKOSA-N 334.419 4.410 0 50 EIAA Cc1cccc(CN(Cc2sc(C)nc2C)C[C@@H]2CCCO2)c1 1529100437 SKMGLMOWYKPFNY-SFHVURJKSA-N 330.497 4.250 0 50 EIAA COc1cccc([C@@H](CN[C@H]2CCc3ccsc32)N2CCCC2)c1 1875261231 UTQNUSJZLMYDBX-RBUKOAKNSA-N 342.508 4.171 0 50 EIAA CCN1C(=O)c2cccc3c(NC(=O)c4ccc(F)cc4)ccc1c23 102922 BNROFBTVOJRNKR-UHFFFAOYSA-N 334.350 4.211 0 50 EIAA CC(C)(Br)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 336586 MKYMZDFSXVOOIO-UHFFFAOYSA-N 346.224 4.030 0 50 EIAA c1ccc(-c2cc3c(-n4nnc5ccccc54)ncnc3s2)cc1 351217 ZQKHZVQPRSLBOX-UHFFFAOYSA-N 329.388 4.092 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 569599 ANGXXAMZFOUCMU-UHFFFAOYSA-N 326.396 4.075 0 50 EIAA CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1 818325 ADJGNSYBQAYCEK-UHFFFAOYSA-N 340.448 4.461 0 50 EIAA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc2cccnc12 2762309 HCRLCACFDRCPOP-UHFFFAOYSA-N 343.169 4.342 0 50 EIAA CCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 2875224 PWGIOIUKSLMROR-UHFFFAOYSA-N 349.433 4.270 0 50 EIAA COc1ccc(OC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 4542241 OUIVKIQBHIWWGK-UHFFFAOYSA-N 333.387 4.341 0 50 EIAA COc1ccccc1-n1c(/C=C/c2ccco2)nc2ccccc2c1=O 4592518 PBJUJVBDWOHCAE-OUKQBFOZSA-N 344.370 4.158 0 50 EIAA FC(F)(F)c1cccc(N2CCN(CC3CCCCC3)CC2)c1 4981069 CWJKBOKSRNLEFS-UHFFFAOYSA-N 326.406 4.408 0 50 EIAA OCCN(Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1 4988190 GELNUFWDCUMIHY-UHFFFAOYSA-N 347.458 4.260 0 50 EIAA CCCOc1ccccc1C(=O)Nc1cccc(NC(=O)CC)c1 9230867 QYDWRBWFBUQTGR-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA CNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 13831576 YVLFXZBCRFOYJA-UHFFFAOYSA-N 339.398 4.323 0 50 EIAA Cc1ccc(CNC(=S)N2c3ccc(F)cc3CC[C@@H]2C)cc1 17067315 JRCHBQXTWFYJKY-AWEZNQCLSA-N 328.456 4.350 0 50 EIAA CCN1CCN(c2c(Cl)cccc2NC(=O)C2CCCCC2)CC1 41107563 MEVONDZUVRVPBC-UHFFFAOYSA-N 349.906 4.001 0 50 EIAA Cc1noc(C)c1-c1nc(C(C)C)nn1-c1cccc2cccnc12 65436039 MLZUVTHHDKWHDP-UHFFFAOYSA-N 333.395 4.211 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)no1 71759813 SFGCFPPSAPRERC-MRXNPFEDSA-N 344.430 4.422 0 50 EIAA Cc1ccccc1[C@H](NC(=O)c1cc(C(C)C)on1)c1ccncc1 77440284 PIMBPMKXZSPNTN-LJQANCHMSA-N 335.407 4.021 0 50 EIAA CC(C)n1ccnc1C1CCN(C(=O)c2cccc3cnccc23)CC1 91830792 HMZGNRRGZOEVBZ-UHFFFAOYSA-N 348.450 4.032 0 50 EIAA Cc1nc2ccc(NC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2[nH]1 96148175 QFTNOSSVGWVKSY-AUUYWEPGSA-N 326.444 4.304 0 50 EIAA c1ccc(-c2cc(CNc3ccc(O[C@H]4CCOC4)cc3)on2)cc1 132271347 GEHXJOCLDDXNAS-SFHVURJKSA-N 336.391 4.121 0 50 EIAA Fc1cc(Br)ccc1CNc1ncnc2ccccc12 170624894 HDBINDKVTNHXNU-UHFFFAOYSA-N 332.176 4.144 0 50 EIAA O=C(Nc1ccc(NC[C@@H]2CCC=CO2)cc1)N1CCCCCC1 194145321 RNYQSOFBVLKCQS-SFHVURJKSA-N 329.444 4.199 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2 201039221 AKBSLIJZNHJRCT-FQEVSTJZSA-N 330.472 4.052 0 50 EIAA in-vitro C[C@H](Cc1nc(-c2cccc(F)c2)no1)C(=O)c1cccc(F)c1 225437508 FABRFJNTAMWMDA-LLVKDONJSA-N 328.318 4.076 0 50 EIAA C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(F)c(Cl)cc1Cl 225734735 UBAIOXZUGJPSKL-SECBINFHSA-N 345.249 4.330 0 50 EIAA COc1nc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc2ccccc12 230144836 MUWOQKSQYHCFPK-URLQWDBASA-N 338.451 4.284 0 50 EIAA O=C(c1ccoc1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 299799876 UVTVYMPJNCXKQI-UHFFFAOYSA-N 325.408 4.263 0 50 EIAA O=C(NCc1ccc(O)cc1)OCC1c2ccccc2-c2ccccc21 306596454 YTCSYBOJWJDBII-UHFFFAOYSA-N 345.398 4.431 0 50 EIAA C(=C/c1nc(-c2ccccc2)cs1)\c1cn(Cc2cccnc2)nn1 342198234 HKMGXHUUXKVKLL-CMDGGOBGSA-N 345.431 4.015 0 50 EIAA CCC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1ccc2nccnc2c1 408525618 JKYTXZGCRZAGCP-FQEVSTJZSA-N 344.418 4.026 0 50 EIAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)c1cc(Cl)ccc1F 821810323 ZYWZHJNGJOQTNI-UHFFFAOYSA-N 348.805 4.178 0 50 EIAA COc1ccc(CCC(=O)Nc2ccc3oc(C)cc3c2)cc1OC 824736701 DMKILWLFUFHAFR-UHFFFAOYSA-N 339.391 4.330 0 50 EIAA Cc1cc(F)ccc1-c1ccc(CN2CCC[C@@H](CCC(=O)O)C2)o1 901551620 HOOUVGKFZGJBOA-HNNXBMFYSA-N 345.414 4.471 0 50 EIAA O=C(O)C[C@@H](NC(=O)c1cc2ccc(F)cc2s1)c1cccs1 914730852 KUQQGQJYFCXJOH-LLVKDONJSA-N 349.408 4.048 0 50 EIAA O=C(Cc1c(Cl)cccc1Cl)OCCNc1ccc(F)cc1 952876390 OXZGXEDFAGSEGI-UHFFFAOYSA-N 342.197 4.330 0 50 EIAA O=C(O)[C@H]1[C@H]2c3cc(-c4c5c(cc6c4CCC6)CCC5)ccc3C[C@H]21 2325853295 KZBCXTPOFWQBFZ-BAGYTPMASA-N 330.427 4.301 0 50 EIAA O=C(CCCc1ccncc1)O[C@@H]1CCC[C@H]1Oc1cccc(F)c1 2325855134 JIZOJGJDDZHJML-RTBURBONSA-N 343.398 4.087 0 50 EIAA COC(=O)c1ccccc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 42749 HFQAPTUIFKOBRP-GWCFXTLKSA-N 342.222 4.003 0 50 EIAA COc1cccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c1OC 124158 YAHRTZMMRQBGOI-QGZVFWFLSA-N 333.387 4.331 0 50 EIAA Cc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1 286101 HYNHUGWGKHYLLD-UHFFFAOYSA-N 345.196 4.387 0 50 EIAA COc1cc(SC)ccc1C(=O)N[C@H](C)CCc1ccccc1 303570 QZCXXCJYWDPQDQ-CQSZACIVSA-N 329.465 4.168 0 50 EIAA C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1 461245 HANOBIHSLKCFGR-KRWDZBQOSA-N 333.431 4.356 0 50 EIAA CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccc(OCC)cc1 506145 UDVCJZWXLVCGDS-FQEVSTJZSA-N 327.424 4.100 0 50 EIAA COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1 815160 QOYWZABNPYYXPP-UHFFFAOYSA-N 328.755 4.256 0 50 EIAA O=C(Nc1cccc(Cn2cccn2)c1)c1csc2ccccc12 1053475 ZMQOOUUUBNMXME-UHFFFAOYSA-N 333.416 4.398 0 50 EIAA Cc1c([C@H](C)NCc2cc(F)ccc2F)cnn1-c1cccc(F)c1 12021233 KZMPGTDGOXOIOP-LBPRGKRZSA-N 345.368 4.449 0 50 EIAA CCc1[nH]c([C@@H]2CC(=O)N(C(C)C)C2)nc1-c1ccc(Cl)cc1 20775514 KRRXFVNSYNRUCJ-CYBMUJFWSA-N 331.847 4.017 0 50 EIAA O=C(O)c1cc(-c2cccs2)nn1-c1ccc(Br)cc1 25762773 ZUKILYDWEJHKRF-UHFFFAOYSA-N 349.209 4.062 0 50 EIAA Cc1nn(C)cc1-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1 48156035 JTMIXUAWUZZPTH-UHFFFAOYSA-N 348.237 4.104 0 50 EIAA Cc1ncc(C)c(NCc2cccnc2Oc2ccc(F)cc2F)n1 67773923 RASWUSTWCPSTER-UHFFFAOYSA-N 342.349 4.171 0 50 EIAA CCc1nc(C)sc1CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 72161659 NNKGRGXFQRNOMG-MRXNPFEDSA-N 344.459 4.366 0 50 EIAA Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCc4ccccc43)[nH]n2)o1 82156118 RTELOPQFACSIDA-GOSISDBHSA-N 335.407 4.128 0 50 EIAA C[C@H](Cc1ccccn1)NC(=O)c1ccc(-c2ccccc2Cl)o1 91475565 LKUQWQPUVZNGJP-CYBMUJFWSA-N 340.810 4.356 0 50 EIAA c1ccc(CCn2nc(C3CC3)nc2CSc2ccncc2)cc1 95513345 IOTSTJFVENWWOU-UHFFFAOYSA-N 336.464 4.086 0 50 EIAA Cc1ncsc1CCN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 215491489 OAZXBSJXWROFRN-UHFFFAOYSA-N 348.899 4.228 0 50 EIAA COc1ccc(Cl)cc1-c1cccc(C(=O)NCC[C@H](C)OC)c1 299784209 GCRJVJMHFIUQHL-ZDUSSCGKSA-N 347.842 4.170 0 50 EIAA Cc1ncsc1CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1 426359362 BKTIOFKSVXYIQI-UHFFFAOYSA-N 345.855 4.276 0 50 EIAA Cc1cccc(Cl)c1NC(=O)c1cnc(-c2ccccn2)s1 443118618 JAWMUBVXASEGQI-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C(F)F)cc1F 653611906 SJGUMBQDECKLIF-DLBZAZTESA-N 349.352 4.413 0 50 EIAA CC(C)(C)c1cccc2c1OCCN2C(=O)c1coc(C2CCC2)n1 683452270 LEOIOCPTDWIQJT-UHFFFAOYSA-N 340.423 4.279 0 50 EIAA c1nc(SCCCN2CCCCC2)c2c3c(sc2n1)CCC3 1472932879 UAHBRXDCFAWREJ-UHFFFAOYSA-N 333.526 4.148 0 50 EIAA Cc1cccc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1F 1875261541 VUGGFTVUOUNGBM-UHFFFAOYSA-N 338.382 4.070 0 50 EIAA CN(Cc1ccnc2ccccc12)C(=O)c1c(Cl)cncc1Cl 1875342489 UFCSPKNETDHVQI-UHFFFAOYSA-N 346.217 4.209 0 50 EIAA Cc1ccc(Cl)c2ccc(N3CCO[C@H](c4cccnc4)C3)nc12 2325802366 CHQKQWUFTFIXAD-KRWDZBQOSA-N 339.826 4.170 0 50 EIAA Cc1cccc(O[C@@H](C)c2nnc(N(C)C3CC(C)(C)C3)n2C)c1C 2325827487 HRNBODGOSMYAHT-HNNXBMFYSA-N 342.487 4.197 0 50 EIAA Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 200231 LBIMSJOKVRGNBH-CMDGGOBGSA-N 342.395 4.426 0 50 EIAA O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc(Cl)c1 450829 YFFREXSENPOJPN-UHFFFAOYSA-N 339.247 4.049 0 50 EIAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccco2)on1 3908424 QFFKETXJWFDHKS-UHFFFAOYSA-N 338.241 4.086 0 50 EIAA COc1ccc(-c2noc(-c3ccccc3SC)n2)cc1OC 4520264 YLFYOVPWARFHJN-UHFFFAOYSA-N 328.393 4.143 0 50 EIAA CCN(Cc1ccncc1)Cc1nc(-c2cccc(F)c2F)oc1C 12307617 NQSDFMBPPMSZPL-UHFFFAOYSA-N 343.377 4.345 0 50 EIAA Cc1cccnc1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1F 12308296 NZJNCQJORWNFIY-IBGZPJMESA-N 348.421 4.368 0 50 EIAA O=C(C1=CCCCC1)N1CCC[C@](CO)(CCCc2ccccc2)C1 12582489 PMZSHUANAXVCGA-JOCHJYFZSA-N 341.495 4.111 0 50 EIAA Cc1c([C@H](C)NCc2ccc(F)c(F)c2)cnn1-c1ccccc1 12590344 JZBQEEMPOUDLOL-ZDUSSCGKSA-N 327.378 4.310 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCCC[C@@H]1CCn1cccn1 72158516 AJJGWTCBAKJJFB-OAHLLOKOSA-N 346.862 4.322 0 50 EIAA CC[C@H](C)Cc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72429496 KDUDPPADRLJTLQ-HNNXBMFYSA-N 343.902 4.388 0 50 EIAA CC(C)n1ccnc1C1CCN(Cc2ccccc2OC(F)F)CC1 91427159 TZDRAPBGRDETQF-UHFFFAOYSA-N 349.425 4.445 0 50 EIAA FC(F)(F)c1ccccc1NC(=S)N1CCc2ccccc2C1 95912886 TVXFBKSCZCFISK-UHFFFAOYSA-N 336.382 4.461 0 50 EIAA CC[C@H](OC1CCCC1)C(=O)N(C)c1ccc2nc(C)sc2c1 175453222 XVDNYFIBNZTAON-INIZCTEOSA-N 332.469 4.305 0 50 EIAA COc1cc(F)c(CN(C)Cc2cccc3cnccc23)cc1OC 216086480 DTNOMXLQZDTAGB-UHFFFAOYSA-N 340.398 4.023 0 50 EIAA Cc1ncc(C(=O)N(C)C/C=C/c2ccccc2)c(-c2ccccc2)n1 216535679 VUHXSLYGMZTDSH-FMIVXFBMSA-N 343.430 4.237 0 50 EIAA O=C(NCCCNc1cccnc1)c1cccc(-c2ccccc2F)c1 220725021 ICDJCQIRCRUSJG-UHFFFAOYSA-N 349.409 4.120 0 50 EIAA CC(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 225475735 VQFHJWPPRJYXHH-FEUHOPSXSA-N 348.245 4.371 0 50 EIAA CC(C)(C)c1cc(COC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)no1 225855472 BTFOPDJGCRJGCN-RYUDHWBXSA-N 335.350 4.097 0 50 EIAA CCc1ccc([C@@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)cc1 252011142 SDDUJUBMPTYJCA-HUUCEWRRSA-N 342.508 4.107 0 50 EIAA Cn1cc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c(C2CC2)n1 291954563 BYODCBCTAPMMPU-QZTJIDSGSA-N 348.450 4.150 0 50 EIAA Cc1nc([C@@H]2CCOC2)cc(N(Cc2cccs2)CC(C)C)n1 426414825 VVTAMBFDVOJTBJ-OAHLLOKOSA-N 331.485 4.013 0 50 EIAA Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 534591673 GOJFZYBCVLLCRO-KDURUIRLSA-N 347.462 4.301 0 50 EIAA C[C@H](O)c1cc(NC[C@H](O)c2ccc(Cl)c(Cl)c2)ccc1F 905335082 HGDJZSVLUVZUGQ-FVMDXXJSSA-N 344.213 4.331 0 50 EIAA CN(C[C@H]1CC1(C)C)c1noc(-c2ccc(Cl)cc2)c1C(=O)O 1772701123 CBPPCXHRDCUXDO-LLVKDONJSA-N 334.803 4.176 0 50 EIAA c1ccc(-c2ncc(-c3nccn3C[C@@H]3CCCOC3)s2)cc1 1857692820 VZOVMXUXUACRMH-AWEZNQCLSA-N 325.437 4.100 0 50 EIAA OC[C@H](c1ccc(F)cc1)n1ccnc1-c1cccc(Cl)c1F 1857727067 KFOCWSKPUHPGOG-OAHLLOKOSA-N 334.753 4.063 0 50 EIAA c1ccc([C@H]2[N@@]3[C@@H]([C@H]3c3ccccc3)[C@@]3(c4ccccc4)O[N@]23)cc1 1857795328 JEKWBADSIIAEGZ-AMYLDRNJSA-N 326.399 4.225 0 50 EIAA CC1(C)CCC(CC(=O)N[C@@H](CCC(=O)O)Cc2ccccc2)CC1 1875337313 WUYPSXRNOGVPMK-SFHVURJKSA-N 345.483 4.185 0 50 EIAA O=C(c1ccc(Br)cc1)c1ccc(Br)cc1 155194 LFABNOYDEODDFX-UHFFFAOYSA-N 340.014 4.443 0 50 EIAA in-vitro Cc1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 186112 SVWOSTSEORXDRH-UHFFFAOYSA-N 329.393 4.111 0 50 EIAA O=C(COc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 455311 QUKLVMAAKATWJL-UHFFFAOYSA-N 343.854 4.200 0 50 EIAA O=C(NCc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 613681 RZDRDZUWAQVMHI-UHFFFAOYSA-N 348.185 4.030 0 50 EIAA COc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1Cl 859153 QDDVSSFZCIUSJS-XNTDXEJSSA-N 327.767 4.002 0 50 EIAA CCCC(=O)N[C@@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 2666947 NTRMSLNBZSUNGY-CYBMUJFWSA-N 337.678 4.328 0 50 EIAA Cc1ccccc1O[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 4833569 VXLUEAXZNAMPMO-SFHVURJKSA-N 337.463 4.244 0 50 EIAA COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccco1 4869971 SBTGXIHHGAUPIO-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA Cc1cc(-c2nc([C@H]3CC(=O)N(C4CCCC4)C3)[nH]c2C)c(C)s1 23398884 HLSYOHUFNMGTDZ-AWEZNQCLSA-N 343.496 4.322 0 50 EIAA ON1C(c2c(F)cccc2F)=NNc2cc(Cl)c(Cl)cc21 25759658 RKJJEBKIMXVUKT-UHFFFAOYSA-N 330.121 4.255 0 50 EIAA CC(=O)c1ccc(N2CCN(Cc3ccc4ccccc4c3)CC2)cc1 55031588 KJDLWFJGNQURNV-UHFFFAOYSA-N 344.458 4.365 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)ccc1O 71721669 KONBRAGMXSRMIT-QGZVFWFLSA-N 341.426 4.325 0 50 EIAA Cc1nc(C2CC2)ncc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 82120557 ZZYSHLJFSULHOA-SFHVURJKSA-N 339.414 4.169 0 50 EIAA CCCCSc1ccccc1N1CCN([C@@H]2CCCC[C@@H]2O)CC1 96026566 IRNIUSIEMBTWJH-MJGOQNOKSA-N 348.556 4.004 0 50 EIAA O=C(NCc1ccncc1)OCC1c2ccccc2-c2ccccc21 98073096 MWXLAMJPLUPMNO-UHFFFAOYSA-N 330.387 4.120 0 50 EIAA C[C@H](Nc1ncnc2c(F)cccc12)c1cccc(-n2ccnc2)c1 170606595 ANCZUMIJAZINJR-ZDUSSCGKSA-N 333.370 4.128 0 50 EIAA O=C(N[C@@H]1CCCc2c(O)cccc21)[C@@H]1C[C@@H]1c1ccccc1Cl 170611450 YEAYVLYAQSNVAZ-JFIYKMOQSA-N 341.838 4.343 0 50 EIAA FC(F)(F)COc1ccc(OCc2noc3c2CCCC3)cc1 174208586 LUFROZDMZXZRBL-UHFFFAOYSA-N 327.302 4.074 0 50 EIAA O=C(CCc1ccccn1)N1Cc2ccccc2C[C@H]1c1ccccc1 174648546 UQKYSFMVAKVGBF-QFIPXVFZSA-N 342.442 4.340 0 50 EIAA Cc1csc(C2(NC(=O)c3cc4sccc4[nH]3)CCCC2)n1 189001884 YRNXHDRCNPOWMU-UHFFFAOYSA-N 331.466 4.194 0 50 EIAA CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)c2ccccc2)c1 230138497 PTLARXSNPDHMNX-KRWDZBQOSA-N 325.408 4.304 0 50 EIAA CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2Br)C1 238108595 QWFYZASEZUWGCO-LLVKDONJSA-N 326.234 4.174 0 50 EIAA CCOC1CC2(CCN(Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 289177001 ACLHKQHMIBHYRK-UHFFFAOYSA-N 345.817 4.332 0 50 EIAA Cc1cnc(C2CCN(C(=O)c3cc(F)ccc3Cl)CC2)s1 293062058 PZWBJDLOTGQBIU-UHFFFAOYSA-N 338.835 4.264 0 50 EIAA COc1cccc(Cl)c1CN[C@@H](c1nc(C2CC2)no1)C(C)C 330031738 CMGZNLPEJWQOFR-OAHLLOKOSA-N 335.835 4.096 0 50 EIAA Cc1ccc(-c2cnc(NC(=O)C3(CF)CCOCC3)s2)c(C)c1 332607894 AYJHPUHZYNFVMO-UHFFFAOYSA-N 348.443 4.132 0 50 EIAA CN(Cc1ccncc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 348807735 JYPCLZQOMKZVJK-SJLPKXTDSA-N 334.822 4.226 0 50 EIAA Clc1cccc(-c2n[nH]cc2CNc2cccc3c2CCO3)c1 475509971 FDCWYGIPIUGDHH-UHFFFAOYSA-N 325.799 4.277 0 50 EIAA CCCc1nc(C(=O)Nc2ccc3c(c2)nc(C)n3CCC)cs1 952984060 UBIWTVZENQEUIC-UHFFFAOYSA-N 342.468 4.416 0 50 EIAA COc1ccc(/C=C/CNCC2(N3CCCCC3)CCCC2)cc1 952988362 NMUXNIFPSOTXFO-BQYQJAHWSA-N 328.500 4.097 0 50 EIAA C[C@H](c1ccc(F)cc1F)N1CCC(CN)(c2ccccc2)CC1 1875316843 ITNSNQCJRJJALT-OAHLLOKOSA-N 330.422 4.018 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 410314 AVGLVVSMBHLJPM-UHFFFAOYSA-N 337.206 4.228 0 50 EIAA C[C@H]1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)s1 469700 QFOUOWKUVBUCIE-VIFPVBQESA-N 345.848 4.071 0 50 EIAA CCOc1ccc2nc(NC(=O)[C@H](C)c3ccccc3)sc2c1 476159 WANCPLBDXGLYJV-GFCCVEGCSA-N 326.421 4.437 0 50 EIAA COc1ccc(-c2csc(Nc3ncccc3C)n2)cc1OC 613604 QLDLWULSIMIMHS-UHFFFAOYSA-N 327.409 4.274 0 50 EIAA COc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)c(OC)c1 1077586 BLXKOFJYIHVLCV-UHFFFAOYSA-N 339.391 4.248 0 50 EIAA CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12 1225993 KUOGOBFNEMDHFE-LJQANCHMSA-N 347.414 4.200 0 50 EIAA COC(=O)c1ccc(-c2nc(-c3ccc(OC)cc3)cs2)cc1 1397296 MOLKFLZPXWTQBB-UHFFFAOYSA-N 325.389 4.272 0 50 EIAA Cc1c(Br)sc(Br)c1Br 2504557 DTLNXOZXOZCNMX-UHFFFAOYSA-N 334.858 4.344 0 50 EIAA in-vitro Cc1cc(Br)ccc1OCCCN1CCC(C)CC1 3001255 GSGYNZVPLUKBBW-UHFFFAOYSA-N 326.278 4.258 0 50 EIAA CC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 3908275 OXAYESIFIPLOFG-UHFFFAOYSA-N 340.766 4.450 0 50 EIAA c1ccc(CCN2CCC(NC34CC5CC(CC(C5)C3)C4)CC2)cc1 4022115 GRPIFHSQCDTSNH-UHFFFAOYSA-N 338.539 4.252 0 50 EIAA O=C(NC1CCCC1)c1c(NC(=O)C2CCC2)sc2c1CCCC2 4750392 PQGXALYIGFTPQO-UHFFFAOYSA-N 346.496 4.038 0 50 EIAA CC1CCN(C(=O)c2ccccc2NC(=O)Nc2ccccc2)CC1 6728291 JGFPUGHBKKRHQM-UHFFFAOYSA-N 337.423 4.203 0 50 EIAA O=C1CC[C@@H](CCNCc2ccccc2)N1Cc1cccc(Cl)c1 11880756 BQSQJIMGEAXCCF-IBGZPJMESA-N 342.870 4.011 0 50 EIAA c1ccc(CN(Cc2nc(COc3ccccc3)no2)CC2CC2)cc1 12756073 CVDUVVCRACGWFT-UHFFFAOYSA-N 349.434 4.061 0 50 EIAA CN(CCc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)no1 20388344 XGOQPWFJFWOXKZ-UHFFFAOYSA-N 327.815 4.065 0 50 EIAA COc1cc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc(OC)c1 36621150 HNWUSBZGGPVSJD-GOSISDBHSA-N 344.386 4.212 0 50 EIAA c1ccc(CN(Cc2nc3ccccc3[nH]2)Cc2nccs2)cc1 55120268 UHMXJIBVXXJAQG-UHFFFAOYSA-N 334.448 4.222 0 50 EIAA CC(C)c1cc(C2CCN(Cc3cccn3-c3ccncc3)CC2)n[nH]1 67884448 RHKJYDXVOSTUMU-UHFFFAOYSA-N 349.482 4.098 0 50 EIAA CSc1ccc2c(C)cc(N3CCO[C@H](C(F)(F)F)C3)nc2c1 71752125 AGOKDGFIYYPQKZ-AWEZNQCLSA-N 342.386 4.033 0 50 EIAA Cc1ccc2nc(N3CCC[C@H](OCc4cccnc4)C3)sc2c1 77418972 QBBMQEVCRCBVAR-INIZCTEOSA-N 339.464 4.185 0 50 EIAA Cc1ccc2[nH]c(C(=O)N(C)Cc3ccc4nccnc4c3)c(C)c2c1 91746913 RPSMAXAUBDBCMO-UHFFFAOYSA-N 344.418 4.000 0 50 EIAA Cc1cccc(NC(=O)N2CCC(c3nccn3C(C)C)CC2)c1C 91830631 LZFCGCGQZXMUQZ-UHFFFAOYSA-N 340.471 4.492 0 50 EIAA O=C(c1ccc(CN2CCCC2)o1)N1CCCCC[C@@H]1c1ccco1 97553300 VCWSYMWTIFBVNA-QGZVFWFLSA-N 342.439 4.226 0 50 EIAA Cc1cc(OC(F)F)ccc1NC(=O)N[C@H](C)Cc1ncccc1C 97641873 TYHRTXSNQOZCLR-CYBMUJFWSA-N 349.381 4.053 0 50 EIAA Cc1cc(Nc2ccccc2C(=O)O)nc(Nc2cccc(F)c2)n1 170621829 BPBFNFRBPFOTRD-UHFFFAOYSA-N 338.342 4.110 0 50 EIAA Cc1nnc(CC(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)o1 178091811 OMRJUWZTBAJYHK-GOSISDBHSA-N 347.846 4.012 0 50 EIAA CC(=O)N1CCCN(C(=O)c2ccc(C3CCC3)cc2)c2ccccc21 188167287 ZNJCIGMAEIWAAA-UHFFFAOYSA-N 348.446 4.358 0 50 EIAA Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1c1cccc2ccccc12 189719051 WUQLZLFRIGIFHL-LJQANCHMSA-N 334.423 4.251 0 50 EIAA Cc1cccc(Oc2ccc(C(=O)N3CC[C@@H](C(C)(C)O)C3)cc2)c1 219557814 MUMRVFQQORFVER-QGZVFWFLSA-N 339.435 4.020 0 50 EIAA O=C(c1cccc(CN2CCC[C@@H]2c2cccnc2)c1)N1CCCCC1 253420167 VTVAZPTVTCHLQO-OAQYLSRUSA-N 349.478 4.045 0 50 EIAA CC[C@@H]1COCCN1C(=O)c1cccc(-c2nccc3ccccc23)c1 426689084 CDUWMYJGAFYPTI-LJQANCHMSA-N 346.430 4.153 0 50 EIAA COc1ccc(CN=c2ccc3cc(Br)ccc3[nH]2)cc1 524617165 DUHHWJMSFPVVOF-UHFFFAOYSA-N 343.224 4.040 0 50 EIAA C[C@H](NCc1csc(-c2ccc(Cl)cc2)n1)c1ccnn1C 865839840 VDRYRANVKRZODK-NSHDSACASA-N 332.860 4.048 0 50 EIAA O=C(c1c(O)cccc1F)N1CCCCC[C@H]1c1cccc(F)c1 1772710766 SBMYGGSALSXPPQ-INIZCTEOSA-N 331.362 4.428 0 50 EIAA Cn1cnc2ccc(-n3ccnc3-c3ccc([C@@H]4CCCCO4)o3)cc21 1772812932 SOTKUYOIAFBFRS-KRWDZBQOSA-N 348.406 4.261 0 50 EIAA CSc1cccc(N2Cc3cc(Cl)ccc3O[C@@H](C)C2=O)c1 1775972970 IBPKNZAUNYPLBO-NSHDSACASA-N 333.840 4.376 0 50 EIAA Cc1cc(NC(=O)Cc2nc([C@@H]3C[C@@H]3C)no2)c(Cl)cc1C1CC1 1875405770 OBFQSASUOGVEKT-TVQRCGJNSA-N 345.830 4.213 0 50 EIAA COc1ccc(-n2ccn(Cc3ccc(C4CCCC4)cc3)c2=O)cc1 2325864102 GZMBYUSKLDZBSB-UHFFFAOYSA-N 348.446 4.354 0 50 EIAA O=C(NCC[C@@H]1CCc2ccccc21)c1cc(-c2cc[nH]n2)ccc1F 2325864595 SWNFCUVRIVAVLW-HNNXBMFYSA-N 349.409 4.066 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(Nc3ccc(C(N)=O)cc3)cc2)cc1 2356141197 XTNHNJDETWSODH-UHFFFAOYSA-N 345.402 4.090 0 50 EIAA CSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)Nc1ccccc1-2 86218 UKUYZKQYYVGLGL-INIZCTEOSA-N 336.420 4.072 0 50 EIAA COc1cc(Br)c(CNC2CCCCCC2)cc1OC 293473 DHPQBIITAKKENX-UHFFFAOYSA-N 342.277 4.279 0 50 EIAA CCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 341933 LMMGKMLVOKAXSW-UHFFFAOYSA-N 339.420 4.026 0 50 EIAA COc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(OC)c1 382550 GOTHVHNQVTUVAZ-UHFFFAOYSA-N 349.814 4.153 0 50 EIAA CCOC(=O)C(F)(F)Sc1ncc(C(F)(F)F)cc1Cl 1389794 GXQDICKAQVCIKV-UHFFFAOYSA-N 335.681 4.002 0 50 EIAA CC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 1773693 FXCODJZTZBIRHC-UHFFFAOYSA-N 331.799 4.340 0 50 EIAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 2499290 IRSGSBXHXAXJBZ-LBPRGKRZSA-N 343.448 4.397 0 50 EIAA Cc1ccc2cccc(OCCOCCOc3ccccc3F)c2n1 2825161 NCWMPDKVSLSRHJ-UHFFFAOYSA-N 341.382 4.157 0 50 EIAA CCN(CC)CCOC(=O)[C@](C)(c1ccccc1)C1CCCCC1 3609603 KFFUMWAFMBSHHP-OAQYLSRUSA-N 331.500 4.410 0 50 EIAA COc1cc(OC)cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 4006369 IDKBLYSMKPRUNH-JHMRYYBSSA-N 343.467 4.039 0 50 EIAA CCOc1ccccc1NC(=O)c1sccc1Br 4542017 PPKRTBYTAUDFCV-UHFFFAOYSA-N 326.215 4.162 0 50 EIAA Cc1nc(NC(=O)CSc2ccc(Cl)cc2)ccc1Cl 10119512 LOJOHWQGGAKFSL-UHFFFAOYSA-N 327.236 4.428 0 50 EIAA CCc1cc(-c2[nH]nc(C)c2-c2nc(C)cs2)c(O)cc1OC 13126452 UXWVYYGJCPIHGC-UHFFFAOYSA-N 329.425 4.094 0 50 EIAA COc1cc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)ccc1F 15068985 STTWHEQTBDYACW-KRWDZBQOSA-N 332.394 4.050 0 50 EIAA CSc1ccc2cc(CN(C)[C@@H](C)c3ccco3)c(=O)[nH]c2c1 67447374 KRGQEQZBZBXJHN-LBPRGKRZSA-N 328.437 4.036 0 50 EIAA Cc1ccc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nn1 67612533 BVRCVIFTMNGUCU-UHFFFAOYSA-N 332.407 4.398 0 50 EIAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 91663306 TTYLISVQSOYQOS-UHFFFAOYSA-N 349.837 4.276 0 50 EIAA Cc1cccc2[nH]c([C@H]3CCCN(Cc4cncn4C(C)C)C3)nc12 97212974 NVQFZQPJPDQMQM-INIZCTEOSA-N 337.471 4.028 0 50 EIAA COc1ccccc1[C@@H]1C[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 109536961 KLBZFDXRRPJORR-STQMWFEESA-N 328.318 4.295 0 50 EIAA COC(=O)c1c(F)cccc1NC(=O)N1CCC[C@H]1c1cccs1 179222134 WYHNKJVQUDCKHX-ZDUSSCGKSA-N 348.399 4.043 0 50 EIAA C[C@]12CC3(CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@H]2O)OCCO3 257346070 QDULKIPGHAIXOR-INCXTXFYSA-N 334.500 4.133 0 50 EIAA CC(C)n1ncc2cc(CNCc3cc(C4CC4)ccc3F)cnc21 295186129 WOCFPBPCQLYDLD-UHFFFAOYSA-N 338.430 4.319 0 50 EIAA Cc1cc(NC(=O)N(C)Cc2ccncc2C)n(C2CCCCC2)n1 299763782 RUXKJMDQGJNIPU-UHFFFAOYSA-N 341.459 4.064 0 50 EIAA CC[C@H]1C=CCN1C(=O)c1ccc(-c2ccsc2C(C)=O)cc1 534663323 HHRMJFKXHAZXGG-INIZCTEOSA-N 325.433 4.408 0 50 EIAA COc1cccnc1NC(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 930786117 AXLPSHVJHJSUNZ-KRWDZBQOSA-N 335.407 4.015 0 50 EIAA Cc1ccc(N2CCC(NCc3cc(C4CC4)on3)CC2)cc1Cl 1506406708 FUIMJGUFJVFELS-UHFFFAOYSA-N 345.874 4.272 0 50 EIAA FC(F)n1cc(CNCc2noc3c2CCCC3)c2ccccc21 2325774135 DKDOWKNTTPEUEN-UHFFFAOYSA-N 331.366 4.193 0 50 EIAA O=C([C@@H]1CC[C@H]1c1ccc(F)cc1)N1CCCC[C@@H]1C1CCOCC1 2325810445 LDCAHLGFLGNFME-XUVXKRRUSA-N 345.458 4.127 0 50 EIAA CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 246549 YDNMEXKVMQPSIC-UHFFFAOYSA-N 330.236 4.357 0 50 EIAA CCc1cc2c(=O)c(Oc3ccc(F)cc3)coc2cc1OC(C)=O 314883 QXHJAXZLZWIRQD-UHFFFAOYSA-N 342.322 4.212 0 50 EIAA CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(Cl)cc1Cl 452395 KOBHQSPHTPFPTQ-LLVKDONJSA-N 336.284 4.255 0 50 EIAA COc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 463435 DVPWLEMQMJFSEX-AWEZNQCLSA-N 327.424 4.399 0 50 EIAA CCCCOc1ccccc1NS(=O)(=O)c1cc(C)sc1C 2504149 UKVFTXVEVBQQOE-UHFFFAOYSA-N 339.482 4.345 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)CCCOc1ccccc1 2876776 YKEWPCLXERWYRQ-UHFFFAOYSA-N 340.423 4.223 0 50 EIAA CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=N)oc2c1 4635293 HEHBODNCKADTQL-UHFFFAOYSA-N 349.434 4.319 0 50 EIAA Cc1sc(NC(=O)c2cc3c(s2)CCCCC3)c(C(N)=O)c1C 4802628 VVMDCILPAVQECQ-UHFFFAOYSA-N 348.493 4.047 0 50 EIAA O=C(NC(=S)Nc1cccnc1)c1cccc2c(Cl)cccc12 4842959 PQGLSYNFYXUKKY-UHFFFAOYSA-N 341.823 4.015 0 50 EIAA COc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1Cl 4942950 CYGRESWYHLLNNR-UHFFFAOYSA-N 328.799 4.293 0 50 EIAA CCOc1ccc2nc(C)c(CN(C)Cc3ccccc3)c(O)c2c1 8571799 PKCUHGLQEIXMIJ-UHFFFAOYSA-N 336.435 4.280 0 50 EIAA CCN1CCN(CCCCOc2ccc(-c3ccccc3)cc2)CC1 20389905 LPGQEBDZLSJBAW-UHFFFAOYSA-N 338.495 4.150 0 50 EIAA FC(F)(F)c1nc(Nc2ccc3c(c2)OCCO3)c2ccccc2n1 25368985 GUGHIIGWDFTQFU-UHFFFAOYSA-N 347.296 4.163 0 50 EIAA Cc1nsc(NC(=O)N(C)[C@H](CCC(C)C)c2ccccc2)n1 55357811 ZSMMTFRYJUXBNH-OAHLLOKOSA-N 332.473 4.488 0 50 EIAA CSCc1nc(CNc2cc(C(C)C)nc3cc(C)nn23)cs1 72480085 WFPQWQQWUWAWCC-UHFFFAOYSA-N 347.513 4.093 0 50 EIAA Clc1cccc(CN2CCC[C@@H](c3nccn3CC3CC3)C2)c1 82096523 GUHLGSKPTXEWRA-QGZVFWFLSA-N 329.875 4.326 0 50 EIAA CC(C)Cc1cc(C(=O)N[C@H](CC(C)(C)C)c2cccnc2)on1 91645790 MCPKKCXGYGCUCO-MRXNPFEDSA-N 329.444 4.175 0 50 EIAA COc1ccc(CN(C(=O)c2ccc(Cl)o2)c2ccncc2)cc1 151193864 SIPCNEXHVHQDKQ-UHFFFAOYSA-N 342.782 4.184 0 50 EIAA COc1ccc2c(c1NCc1nnc(Cc3ccccc3C)o1)CCC2 190450108 KIFXAPBYMCCMLO-UHFFFAOYSA-N 349.434 4.078 0 50 EIAA CN1CCC[C@@]2(CCCN(Cc3[nH]c4ccccc4c3Cl)C2)C1 215329466 ZRHUYBHJKJAQAK-LJQANCHMSA-N 331.891 4.129 0 50 EIAA C[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 252013288 UBQOCBMGIIMPMR-CLCXKQKWSA-N 336.435 4.114 0 50 EIAA CC(C)(C)OC(=O)NC[C@@H]1CCCN([C@H]2CCCc3ccccc32)C1 252477280 LESKDYXXNAAZAE-LPHOPBHVSA-N 344.499 4.301 0 50 EIAA c1coc(-c2ccnc3nc(CCCc4c[nH]c5ccccc45)nn23)c1 253414599 XXZKWMGRKDRRSI-UHFFFAOYSA-N 343.390 4.041 0 50 EIAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CCCC[C@@H]1c1ncc[nH]1 253429677 UKDXTWFBPVFXEN-MRXNPFEDSA-N 328.391 4.185 0 50 EIAA c1nnc([C@@H](NCc2ccc3sccc3c2)C2CCCCC2)[nH]1 293807920 VJZGVWBHBSANOJ-KRWDZBQOSA-N 326.469 4.431 0 50 EIAA COCCCCC(=O)N1CCC[C@]2(CCCCc3ccccc32)C1 360698468 LMPUJYQESSZXHZ-OAQYLSRUSA-N 329.484 4.090 0 50 EIAA Cc1ncc(C(=O)N2CC[C@@H]2c2cccs2)c(-c2ccccc2)n1 426370224 CAFJSAIGFLBUIF-MRXNPFEDSA-N 335.432 4.101 0 50 EIAA Cc1cnc(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)c(C)c1 780530944 WXGBNMCJYNSEID-OAHLLOKOSA-N 336.439 4.120 0 50 EIAA CCCn1cc(C(=O)N(CCc2ccccc2)C2CCCC2)c(C)n1 952984496 WOJYNHILFBEXIX-UHFFFAOYSA-N 339.483 4.229 0 50 EIAA Cc1cc(CN2CCC[C@@H](C)C2)c(C)c(C(=O)C2CCOCC2)c1 1772813826 WCXYDTWCCJNNCC-OAHLLOKOSA-N 329.484 4.145 0 50 EIAA CC[C@H](NC(=O)c1ccc(O)nc1C(C)C)c1ccc(C)c(C)c1 2356164053 CGTHZFKIIZZNPY-KRWDZBQOSA-N 326.440 4.409 0 50 EIAA CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(c2ccc(Cl)cc2)C1 108436 OVQMLSGVAKAALW-KRWDZBQOSA-N 349.217 4.061 0 50 EIAA O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccco1 358880 GUGVEVJFNHZSOM-UHFFFAOYSA-N 338.388 4.199 0 50 EIAA O=c1cc(-c2ccccc2F)nc(-c2ccc(Br)cc2)o1 457310 WMINFNTZPUKJEF-UHFFFAOYSA-N 346.155 4.270 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)CSc1ccc(C)cc1 615792 XEDMIMVRISGJMA-UHFFFAOYSA-N 342.464 4.464 0 50 EIAA CCCCOc1ccc(OCCNC(=O)c2ccccc2Cl)cc1 2900778 BFJZYUVRXIEUOO-UHFFFAOYSA-N 347.842 4.328 0 50 EIAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nsnc12 4703354 FRMVUJTXWTYUJY-UHFFFAOYSA-N 327.453 4.236 0 50 EIAA CC1(C)S[C@H](c2cccc(Oc3ccccc3)c2)N[C@@H]1C(=O)O 5304857 BBJUNDLJULMHLT-HZPDHXFCSA-N 329.421 4.046 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 6701001 OMTYHOANDAURHW-UHFFFAOYSA-N 330.387 4.120 0 50 EIAA Cc1occc1C(=O)N(Cc1nc(-c2ccccc2)no1)C(C)(C)C 7720702 GITQZHWNRTYFII-UHFFFAOYSA-N 339.395 4.079 0 50 EIAA O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1C[C@@H]1CCCO1 12517384 RNHVANYOFSTJSF-UGSOOPFHSA-N 342.826 4.086 0 50 EIAA O=C(C[C@H](c1cccc(O)c1)c1ccccc1Cl)N1CCCCO1 15063263 NNYYXJRQBHLXIO-QGZVFWFLSA-N 345.826 4.122 0 50 EIAA Cc1ccc(CNC(=S)N2c3ccc(F)cc3CC[C@H]2C)cc1 17067312 JRCHBQXTWFYJKY-CQSZACIVSA-N 328.456 4.350 0 50 EIAA C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1 21948292 VYUQPZHRDKLOPX-FQEVSTJZSA-N 342.486 4.272 0 50 EIAA in-vitro CC[C@H](C)N(Cc1ccncc1)C(=O)c1ccccc1OC(F)F 55244150 MUYGIMHQUCWLEL-ZDUSSCGKSA-N 334.366 4.124 0 50 EIAA O=C(c1ccccc1O)N1CCC[C@@H](CCc2ccccc2F)C1 71416131 FMTBCTOEQAJOSW-HNNXBMFYSA-N 327.399 4.016 0 50 EIAA Clc1ccccc1C1(c2ccnc(C3CCCC3)n2)CCNCC1 72407716 KRVFAVZKYJIXLS-UHFFFAOYSA-N 341.886 4.457 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1c(C)nn(CC)c1C 96138349 MSHSBOQPIPJDFV-KRWDZBQOSA-N 343.475 4.310 0 50 EIAA Cc1c(CN(C)Cc2cc(CN(C)C)cs2)[nH]c2ccccc12 97674472 MJMYOTIVQZIGNH-UHFFFAOYSA-N 327.497 4.231 0 50 EIAA O=C(NC[C@@H]1Cc2ccccc21)c1ccccc1C(=O)c1cccs1 170651155 HEYMXLFDQQDHRU-HNNXBMFYSA-N 347.439 4.049 0 50 EIAA CCC1(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)CCC1 176918573 VSAJIKPENBVVHO-OAHLLOKOSA-N 342.483 4.386 0 50 EIAA Cc1cc([C@@H](C)NCc2nc(Cc3ccccc3)no2)c(C)s1 194561726 HAOIQKYFCSVMTH-CYBMUJFWSA-N 327.453 4.190 0 50 EIAA COc1ccc(CNCc2ccc(Sc3ccccn3)o2)cc1 239351921 AANVGNGBMSXVSO-UHFFFAOYSA-N 326.421 4.124 0 50 EIAA CCc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)cc1 245232379 UROVDZPMWWQYQT-UAFMIMERSA-N 335.447 4.265 0 50 EIAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)C1 263340708 RVKJXRGBHORECB-GLBZDCTLSA-N 347.480 4.033 0 50 EIAA Cc1cnc([C@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cn1 328596458 RGROLLZTPMGMHG-RYUDHWBXSA-N 325.334 4.095 0 50 EIAA COc1cc(SC)ccc1NC(=O)Nc1ccc(NC(C)=O)cc1 408514960 OGACITFUXJIRTC-UHFFFAOYSA-N 345.424 4.020 0 50 EIAA Cn1cc(CCCN[C@@H](Cc2ccccc2)C2CCCCC2)cn1 481916282 NNAGXEUMYYSBPV-NRFANRHFSA-N 325.500 4.134 0 50 EIAA CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc(O)ccc1F)CCO2 872062634 IFWRIXLURSTFGV-SGTLLEGYSA-N 331.387 4.104 0 50 EIAA O[C@@H]1CCC[C@@]12CCCN(Cc1ccc3c(c1)Cc1ccccc1-3)C2 1704344980 YSPAXOSYXFLSKX-PKTZIBPZSA-N 333.475 4.385 0 50 EIAA CC[C@@H](C)c1ccc(NC(=O)CSc2ccccc2C(N)=O)cc1 1875257154 DAFVMJASIWAOQY-CYBMUJFWSA-N 342.464 4.030 0 50 EIAA COc1cc2c(cc1OC)C(=Cc1ccc(C(C)C)cc1)C(=O)OC2 2049251965 ZNIBPUJCPPWAJD-UHFFFAOYSA-N 338.403 4.425 0 50 EIAA biogenic Cc1cc(C2CCN(C(=O)c3cc4c(F)cccc4s3)CC2)on1 2325817910 DITKTCRCWKRAHD-UHFFFAOYSA-N 344.411 4.357 0 50 EIAA O=C(NC(=S)Nc1ccc(SC(F)F)cc1)c1cccs1 134697 SHFJLDPXHQDEAL-UHFFFAOYSA-N 344.433 4.190 0 50 EIAA CN(CCOC(=O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1 302273 JGEBLVBRCHWJFQ-UHFFFAOYSA-N 325.452 4.273 0 50 EIAA CC(C)CN(CC(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl 376643 OKJNRUDRZLDDMO-UHFFFAOYSA-N 338.300 4.296 0 50 EIAA O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 425719 OSNQPJXDSVNGJF-UHFFFAOYSA-N 334.162 4.296 0 50 EIAA CCCOc1ccccc1NC(=O)OCC1(N(C)C)CCCCC1 3130191 GVZQYYCGSKCYOI-UHFFFAOYSA-N 334.460 4.288 0 50 EIAA CCCCC/C=C/C[C@@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 4543697 VNYSSYRCGWBHLG-WERGIWLVSA-N 336.472 4.158 0 50 EIAA in-vitro O=C1N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 4702374 HSRADUMVIIQKMR-NTEUORMPSA-N 333.174 4.091 0 50 EIAA Cc1ccc(-c2nnc(S[C@H](CC(=O)O)c3ccccc3)[nH]2)cc1 5730548 ZMIRBLYNPOSRPX-OAHLLOKOSA-N 339.420 4.088 0 50 EIAA Cc1cccc(NC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 6703580 YYEUPEDKQCHEBN-UHFFFAOYSA-N 343.390 4.349 0 50 EIAA Cc1ccccc1CSCc1nnc(S)n1-c1ccccc1F 6789677 QHTVQBLQUIUJPG-UHFFFAOYSA-N 345.468 4.437 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 12404268 YHKUWZDOZNPDMN-GOSISDBHSA-N 340.423 4.140 0 50 EIAA CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 14255816 SWGOBHHTJRRWBH-NSHDSACASA-N 325.380 4.279 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 16604493 GFVJQGUHUZKRRQ-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1C 21787117 SMRZGNRSVHRIMP-FQEVSTJZSA-N 347.462 4.467 0 50 EIAA Clc1ccc([C@H]2CN(Cc3cc4ccccc4[nH]3)CCO2)cc1 71776587 KWTORMUTXGFMSH-LJQANCHMSA-N 326.827 4.395 0 50 EIAA Cc1ccc(-c2cc(NCc3ccncc3)nc3[nH]ccc23)c(C)n1 72421633 VMPQYOWEEYJRDB-UHFFFAOYSA-N 329.407 4.249 0 50 EIAA CCCc1cc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)no1 77408199 FMQURGQJIRKJPI-FQEVSTJZSA-N 349.434 4.158 0 50 EIAA Cc1cccc2[nH]c([C@@H]3CCCN(Cc4cncn4C(C)C)C3)nc12 97212973 NVQFZQPJPDQMQM-MRXNPFEDSA-N 337.471 4.028 0 50 EIAA CC[C@@H]1CCCC[C@H]1Nc1cccc(C[S@@](=O)C2CCOCC2)c1 170593314 KPYLRJIKRKUVRS-WSCWJOSJSA-N 349.540 4.495 0 50 EIAA O=C(c1ccc2ncsc2c1)N(Cc1ccco1)c1ccccn1 193147205 ZHEISNOHGKPOJN-UHFFFAOYSA-N 335.388 4.131 0 50 EIAA CC(C)[C@@H](NC(=O)Cn1ccc2ccccc21)c1nc2ccccc2[nH]1 223235162 RQKPEPLLORMRBX-HXUWFJFHSA-N 346.434 4.031 0 50 EIAA Cc1nnc([C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)s1 241926492 UGOZZNSPLGEZMR-OUJBWJOFSA-N 337.518 4.351 0 50 EIAA Cc1cc(-c2ncccc2NC(=O)NCc2cnc(C)s2)cs1 446434789 OWODRDVZEIMJNY-UHFFFAOYSA-N 344.465 4.205 0 50 EIAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)CC1CCCC1 828072065 GBXNIHVFFVSPPK-OAHLLOKOSA-N 328.456 4.220 0 50 EIAA Cc1nc([C@H]2CCCN2c2ncnc3ccc(C(C)C)cc23)[nH]c1C 895198165 YUHOADXTUNASSK-GOSISDBHSA-N 335.455 4.435 0 50 EIAA Cc1nnc(N[C@@H]2CCCN(Cc3cccs3)C2)c2ccccc12 1529185478 NCYGCMLYRRESDL-OAHLLOKOSA-N 338.480 4.076 0 50 EIAA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C)oc2cc1OC(C)=O 314896 SORUWZANIAKOGY-UHFFFAOYSA-N 340.350 4.395 0 50 EIAA CC1(C)C[C@](CCNCc2ccc(O)cc2)(c2ccccc2)CCO1 2478707 SUYSFVCOGZNFRU-JOCHJYFZSA-N 339.479 4.399 0 50 EIAA biogenic O=C(C[C@@H](Nc1cccc(Cl)c1Cl)C(=O)O)c1ccccc1 4593158 DKFMYTUWVPWBLF-CYBMUJFWSA-N 338.190 4.132 0 50 EIAA Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)cc2C)c1 4803577 QKKKGFUGQNAMOJ-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA O=C1C[C@H](c2c(Cl)cccc2Cl)c2cc3c(cc2N1)OCO3 4986625 KRSGWOWKIQTHTJ-VIFPVBQESA-N 336.174 4.196 0 50 EIAA O=C(Nc1ccc(Br)cc1)Nc1ccc(Cl)cn1 6740981 AZNFYGDETUVKPW-UHFFFAOYSA-N 326.581 4.142 0 50 EIAA Cc1cccc(C)c1NC(=O)c1nnn(-c2c(C)cccc2C)c1C 11690641 YXEMIHLOYSFGTP-UHFFFAOYSA-N 334.423 4.062 0 50 EIAA CSc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1 19832107 WBKSZQMTFQHZQJ-UHFFFAOYSA-N 326.509 4.035 0 50 EIAA Fc1ccc(F)c(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 39769834 RBMDUBBCLOBBET-UXHICEINSA-N 334.454 4.194 0 50 EIAA Cc1ccc2c(c1)CS(=O)(=O)C(Cl)(Cl)c1cc(C)ccc1-2 45069333 KDUZHRQWCJNIOA-UHFFFAOYSA-N 341.259 4.487 0 50 EIAA CN(C(=O)c1ccc(-c2nnc(S)o2)cc1)C1CCC(C)(C)CC1 127817251 PFVBMAQZCFUBDB-UHFFFAOYSA-N 345.468 4.066 0 50 EIAA C[C@@H](C1CC1)n1nccc1NC(=O)N1CC=C(c2cccs2)CC1 156881589 DBZYHZZQJUNJLF-ZDUSSCGKSA-N 342.468 4.237 0 50 EIAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc(O)c1 230514747 LQUUNKTXHCYDQN-UHFFFAOYSA-N 349.452 4.024 0 50 EIAA CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)o1 252475388 ZOBKBGDOCLCIIY-OTWHNJEPSA-N 338.451 4.484 0 50 EIAA CC(C)c1cc(C(=O)N2CC[C@@H]2c2ccccc2F)nn1C(C)(C)C 252570780 XDSIOWVEAXSGOX-QGZVFWFLSA-N 343.446 4.488 0 50 EIAA CO[C@H](C)c1nc(C)c(C(=O)N[C@]2(C)CCCc3ccccc32)s1 331887742 DGLPJERZYRFIBB-BFUOFWGJSA-N 344.480 4.140 0 50 EIAA O=C(c1cc2n(n1)CCCC2)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 333534625 JTFRYMILAQRBIC-HXUWFJFHSA-N 348.450 4.068 0 50 EIAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(OCCc2ccccc2)CC1 411696193 JKUPKPLZWPICBG-YADHBBJMSA-N 349.474 4.040 0 50 EIAA COC[C@@H](NCc1ccc(Oc2ccccc2)nc1)C1CCCC1 446838216 GCGWYNNYHFARGH-LJQANCHMSA-N 326.440 4.169 0 50 EIAA OC[C@@H](c1ccc(F)cc1)n1ccnc1-c1cccc(Cl)c1F 1857727065 KFOCWSKPUHPGOG-HNNXBMFYSA-N 334.753 4.063 0 50 EIAA COc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O 107154 GAJRDPXTPVNZLH-UHFFFAOYSA-N 347.370 4.313 0 50 EIAA O=C(NCCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 128820 SVBMHGLUEORUAY-UHFFFAOYSA-N 341.414 4.202 0 50 EIAA Clc1ccc(Cl)c(CSc2nnnn2-c2ccccc2)c1 306584 BWPHSBODKPYOHW-UHFFFAOYSA-N 337.235 4.261 0 50 EIAA COc1ccc(-c2cnn(-c3nc(-c4ccccc4)cs3)c2N)cc1 1386155 HAXRQXZAPYRWTO-UHFFFAOYSA-N 348.431 4.254 0 50 EIAA Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccccc2)Nc2ncnn21 2471854 OTQCYDBKAMGLKK-LSDHHAIUSA-N 328.778 4.217 0 50 EIAA CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccccn4)[nH]c(=O)c23)C1 4095180 HTHSBHISHCZYDD-NSHDSACASA-N 339.464 4.198 0 50 EIAA Nc1ccccc1SCC(=O)NC(c1ccccc1)c1ccccc1 6399213 VBJNJWKHKKQWMP-UHFFFAOYSA-N 348.471 4.267 0 50 EIAA CC(=O)Nc1ccc(NC(=O)c2ccccc2SC(C)C)cc1 8040831 MYXOAKRUOLOKFG-UHFFFAOYSA-N 328.437 4.398 0 50 EIAA CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1nccs1 11907429 WPIKFUJJCORBAU-ZDUSSCGKSA-N 329.450 4.201 0 50 EIAA CCCCC[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O 12495719 SYAWGTIVOGUZMM-LLZJRKGESA-N 338.488 4.382 0 50 EIAA endogenous,in-man S=C(NCCCc1ccccc1)Nc1ccc(Br)cc1 13817328 HHFIYMMAHNFHNS-UHFFFAOYSA-N 349.297 4.368 0 50 EIAA Cc1ccc(CNC[C@@](O)(c2ccccc2)c2ccc(F)cc2)cc1 20365940 AXYNUDBMBNQRFC-JOCHJYFZSA-N 335.422 4.160 0 50 EIAA COC(=O)[C@]12N=NC(c3ccccc3)(c3ccccc3)[C@@]1(C)C2(C)C 22014328 BNLSWDBNYNFCTH-TZIWHRDSSA-N 334.419 4.354 0 50 EIAA CO[C@@](F)(C(=O)N(Cc1ccccc1)c1ccccc1)C(F)(F)F 22018465 YMNCTRPAXVNYRG-INIZCTEOSA-N 341.304 4.094 0 50 EIAA Cc1cc2ccccc2n1CCC(=O)N(C)[C@@H](C)c1nccs1 63848836 LNWPDADCEKKLNI-AWEZNQCLSA-N 327.453 4.016 0 50 EIAA OC[C@@]1(CCc2ccccc2)CCCN(c2ccc3ccccc3n2)C1 67714836 JLCUDRFLTQDLQS-HSZRJFAPSA-N 346.474 4.447 0 50 EIAA OCc1ccc(-c2nccn2-c2ccc(/C=C/c3ccccn3)cc2)o1 71405549 YQJBUPFPKPSZBS-QPJJXVBHSA-N 343.386 4.190 0 50 EIAA Fc1ccc([C@H]2CN(Cc3c(Cl)cncc3Cl)CCO2)cc1 71762982 PZTPBWNNZXQKIR-MRXNPFEDSA-N 341.213 4.101 0 50 EIAA Cc1ccc([C@H](Cn2ccnc2-c2cccc(F)c2F)N(C)C)o1 72419998 IARVUPQUWTYGAR-HNNXBMFYSA-N 331.366 4.033 0 50 EIAA COc1cccc([C@H]2CCCN2C(=O)c2ccccc2-c2ncc[nH]2)c1 77286827 CCGAZSFBRSMOJJ-LJQANCHMSA-N 347.418 4.063 0 50 EIAA Cc1ccsc1-c1nccn1C[C@@H](c1ccco1)N1CCCC1 77358432 KOPOGCJMZSVBEN-HNNXBMFYSA-N 327.453 4.350 0 50 EIAA C[C@@H](c1ccon1)N(C)C(=O)Nc1cccc(OC2CCCC2)c1 95521345 NQWPYTJXXSKEIT-ZDUSSCGKSA-N 329.400 4.221 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1c(C)nn(CC)c1C 96138350 MSHSBOQPIPJDFV-QGZVFWFLSA-N 343.475 4.310 0 50 EIAA COc1cc(F)c(NCc2cc(-c3ccccc3)no2)cc1OC 114452532 DYJGIBPERKTZCG-UHFFFAOYSA-N 328.343 4.110 0 50 EIAA Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1COc2ccccc21 182132616 DPCWLJVWXJBGTI-OAHLLOKOSA-N 336.416 4.233 0 50 EIAA O=C(CCc1ccsc1)N(Cc1ccsc1)c1cccnc1 193508393 CVVQOGASLBJSGQ-UHFFFAOYSA-N 328.462 4.371 0 50 EIAA CCCN(Cc1cc(F)cc2cccnc12)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 252671906 ONZUQFBMUYPLNC-RLLQIKCJSA-N 342.458 4.399 0 50 EIAA Cc1nc(C)c(CNc2ccc(C(=N)O)c(N3CCCCC3)c2)s1 330032678 QNBJHZUZQPWTJK-UHFFFAOYSA-N 344.484 4.246 0 50 EIAA C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ncccc1C(=O)O 652429170 ADLXOYYRZREAJT-OLZOCXBDSA-N 332.831 4.057 0 50 EIAA Cc1cc(C(=O)N2CCC(C3(O)CC3)CC2)sc1-c1ccccc1 655162707 BIRBNHBNLJHQSO-UHFFFAOYSA-N 341.476 4.101 0 50 EIAA CCc1ccc(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)s1 834681437 FRCGQCHRALSSKW-UHFFFAOYSA-N 328.359 4.040 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)Nc3c(C)noc3C(C)C)C2)cc1 932870907 MTJJUQQVWXVXKR-OAHLLOKOSA-N 343.427 4.136 0 50 EIAA CC(C)CNC(=O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 952962992 MZJCQUBPHMBQIH-UHFFFAOYSA-N 343.427 4.126 0 50 EIAA Cc1ccccc1SC1CCN(Cc2nccn2C2CC2)CC1 1506416612 CVHGVOZKEKLBFO-UHFFFAOYSA-N 327.497 4.283 0 50 EIAA CCCOc1ccc([C@H](CC)Nc2ncc(C(C)=O)c(C)n2)cc1 1772701710 NYFBCZRVAPHYTR-SFHVURJKSA-N 327.428 4.340 0 50 EIAA c1ncc([C@@]23CC[C@@H](C2)[C@H]3c2nc([C@@H]3CCCCS3)no2)s1 1875338632 FFRKEDLIBWAGFP-XALPAYFRSA-N 333.482 4.320 0 50 EIAA CCOc1c(CNc2ccc(N3CCCC3)cc2)cccc1OC 360232 PKAPTHADUVSHGO-UHFFFAOYSA-N 326.440 4.306 0 50 EIAA COc1ccccc1CNC(=O)c1sc2ccccc2c1Cl 464061 CMXYFBKSUOIHPD-UHFFFAOYSA-N 331.824 4.493 0 50 EIAA CC(=O)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 610121 WUPWNVBDAPCJAX-UHFFFAOYSA-N 337.301 4.308 0 50 EIAA COC(=O)[C@H](C(=O)Nc1cccc(Cl)c1C)C1CCCCCC1 616292 DRSJUWFJYSNEFF-INIZCTEOSA-N 337.847 4.347 0 50 EIAA Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)CCCC4)ccc12 621213 ICKGLSXDWKLCSS-UHFFFAOYSA-N 348.398 4.242 0 50 EIAA CC(C)(C)Nc1nc(N)c(C(=O)c2ccc(Cl)cc2Cl)s1 1402581 LKDLDUKXZNPBMD-UHFFFAOYSA-N 344.267 4.474 0 50 EIAA CCCCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1 1779287 AKRNKDOFEUDAKA-IZZDOVSWSA-N 339.391 4.246 0 50 EIAA CCCCn1c(NCc2nc3ccccc3n2C)nc2ccccc21 1793028 PQTJWXKIIHMDGW-UHFFFAOYSA-N 333.439 4.335 0 50 EIAA O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1cccnc1 1977912 GJRFRRYDQIAMGP-UHFFFAOYSA-N 343.338 4.074 0 50 EIAA CCOC(=O)c1cc(NC(=O)CSc2ccccc2)ccc1Cl 5041896 CSBYKYOPGDBWDC-UHFFFAOYSA-N 349.839 4.248 0 50 EIAA C[C@@H](c1ccccc1)c1cc(C(=O)NCc2ccccc2Cl)on1 12154381 ZRFQUZRNTOSJHF-ZDUSSCGKSA-N 340.810 4.410 0 50 EIAA COc1ccc(CN2CCN(c3ccccc3C)CC2)c2ccccc12 19633838 DSFKKSILLCYFBF-UHFFFAOYSA-N 346.474 4.479 0 50 EIAA Cn1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 20604953 PGXHVFMESBUNIE-UHFFFAOYSA-N 343.255 4.256 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1ccccn1 72463199 GEVHSOVUQLLJIP-QGZVFWFLSA-N 333.391 4.022 0 50 EIAA C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 137963213 BELVIBPWPXRFLQ-LRDDRELGSA-N 347.867 4.461 0 50 EIAA Fc1cccc2[nH]c(/C(Cl)=C/c3nccn3CC(F)(F)F)nc12 171542055 HZOGLWWVQVTSDY-VURMDHGXSA-N 344.699 4.198 0 50 EIAA Cc1cc2ncn([C@H](C)c3nc(-c4cnccn4)cs3)c2cc1C 253416521 NKRJZJJMFGGHGV-CYBMUJFWSA-N 335.436 4.176 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)n1 257365265 XRKSPDTYAZJJOC-BBWFWOEESA-N 344.455 4.448 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 280642221 BGYQVIDDFYTYBA-FZKQIMNGSA-N 344.434 4.298 0 50 EIAA O=C(NCCCOC1CCCC1)c1ccc(-c2cccs2)cc1 299794836 KAIWOAUGZIKLKT-UHFFFAOYSA-N 329.465 4.494 0 50 EIAA CC(C)CCN(C(=O)c1coc(Br)c1)C1CCCC1 378964153 AIWLCXCNTQLKNN-UHFFFAOYSA-N 328.250 4.473 0 50 EIAA Cc1cc2cc(CN3CC[C@](C(=O)O)(c4ccccc4)C3)oc2cc1C 901830119 XEMVRIIEAADQLY-JOCHJYFZSA-N 349.430 4.278 0 50 EIAA COc1ccc(F)c2[nH]c(C(=O)N[C@H](C)c3cccc(C)c3C)cc12 1146226257 LRLNVLLIMOKUJN-CYBMUJFWSA-N 340.398 4.423 0 50 EIAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 1506418080 OHBQJRKBFHYCSM-OZIPEELISA-N 347.458 4.140 0 50 EIAA CCCC[C@@H]1CN(C(=O)Nc2ccc(OC)cc2C)C[C@H](C(C)C)O1 1857732854 KKBAZWCFCVPLRE-IEBWSBKVSA-N 348.487 4.451 0 50 EIAA CC(C)Cn1nc(-c2ccccn2)nc1Cc1c[nH]c2ccccc12 2325875092 FVWGSHGNDTVMPD-UHFFFAOYSA-N 331.423 4.068 0 50 EIAA Cc1c(NC(=O)Cc2ccccc2)cccc1-c1nc2ncccc2o1 46843 RNXADKBONYTVPV-UHFFFAOYSA-N 343.386 4.379 0 50 EIAA Cc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 77580 UUITWLDYQXQBOA-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccc(F)cc1 108547 PAHOYNMTEPZYQS-UHFFFAOYSA-N 325.318 4.356 0 50 EIAA Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 303447 FMZRGVFDEOGNEU-QGZVFWFLSA-N 338.451 4.082 0 50 EIAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@H]1C(=O)O 335960 KLHJWYMUYRHVIZ-VHSXEESVSA-N 349.736 4.188 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1F 452622 WODUNJXYYYUMCD-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA Cc1ccnc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 456353 AIDXBLCPVVCOJI-UHFFFAOYSA-N 347.443 4.184 0 50 EIAA CC(=O)c1cccc(NC(=O)N2CCC(Cc3ccccc3)CC2)c1 610151 VISMFSTTYKBIFP-UHFFFAOYSA-N 336.435 4.376 0 50 EIAA C[C@H]1CCCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)C1 2735145 TWIGODQZHWZWPP-HNNXBMFYSA-N 340.433 4.402 0 50 EIAA O=C(Nc1ccc(F)cc1F)c1cccc(OC(F)(F)C(F)F)c1 2760977 YBOOZCPIHSOXMA-UHFFFAOYSA-N 349.230 4.454 0 50 EIAA CCOc1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2774493 GHXBASKWDHGWLN-UHFFFAOYSA-N 331.240 4.033 0 50 EIAA COc1ccc(-c2cc(-c3ccc(Cl)cc3)n3ncnc3n2)cc1 2827942 UURBAEACRGNSJS-UHFFFAOYSA-N 336.782 4.120 0 50 EIAA CC1CCN(CCOCCOc2ccc(Cl)c(Cl)c2)CC1 3003188 IIFAYBSJYULNSP-UHFFFAOYSA-N 332.271 4.121 0 50 EIAA Cc1ccc(NC(=O)CSc2nc(C)nc3ccccc23)c(C)c1 4241392 GSORPALQBMQNOF-UHFFFAOYSA-N 337.448 4.286 0 50 EIAA Cc1cc(OC[C@H](O)CN[C@H](C)c2ccccc2)ccc1C(C)C 5073663 FEHSPDGIMNPGSF-IEBWSBKVSA-N 327.468 4.209 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1C 7720115 WQSNURNVOBXTFS-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA COc1cc(Nc2nc(C(F)(F)F)nc3ccccc23)cc(OC)c1 8393090 FGNPIIWIZPFLFO-UHFFFAOYSA-N 349.312 4.409 0 50 EIAA O=C(Cc1ccccc1)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 9487307 NHVRNNZJIYRAGJ-NRFANRHFSA-N 341.414 4.011 0 50 EIAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccnc2)C1 12304727 MWTZCJSNENNJGD-INIZCTEOSA-N 348.368 4.195 0 50 EIAA Cc1ccccc1[C@H](CC(=O)NCc1ccncc1)c1ccccc1 12449417 IYWBVZAAQQWHDP-OAQYLSRUSA-N 330.431 4.228 0 50 EIAA Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2cccc(O)c2)c1C 12596959 FPXZRTYLVRLCBT-HXUWFJFHSA-N 347.462 4.362 0 50 EIAA O=C(CCc1nc2ccccc2s1)Nc1ccnn1C1CCCC1 60390732 UQDXEWVMTTVZFT-UHFFFAOYSA-N 340.452 4.179 0 50 EIAA Cc1[nH]cnc1-c1nccn1CC[C@H](c1ccccc1)c1ccco1 71615072 JTTCBTCOBBSQAW-QGZVFWFLSA-N 332.407 4.397 0 50 EIAA CC(=O)c1ccccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72481543 LCXYRCXPTKJMJY-UHFFFAOYSA-N 342.402 4.440 0 50 EIAA O=C(c1cccc([C@@H]2CCCNC2)c1)N1CCC[C@H]1c1ccccc1 97758050 ZRUYRBJAQNAVCP-RTWAWAEBSA-N 334.463 4.131 0 50 EIAA Cc1ccc([C@H]2CCCN2C(=O)Cc2sc(=S)[nH]c2C)s1 114707807 QILOOYIIPDQEJA-LLVKDONJSA-N 338.523 4.390 0 50 EIAA O=C(NCC1([C@H](O)c2ccccc2)CC1)c1occc1-c1ccccc1 155858916 SOQQFMSPZZBILA-HXUWFJFHSA-N 347.414 4.190 0 50 EIAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cnccn1 155867997 ISMPOPFDBBZPCZ-UHFFFAOYSA-N 342.358 4.051 0 50 EIAA O=C(CCCC(=O)c1ccccc1)Nc1ccc(Cl)c(C(=O)O)c1 170583370 BPCPEUZXKQSNFB-UHFFFAOYSA-N 345.782 4.030 0 50 EIAA O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCOC2(CCCC2)C1 220650624 WVFAPPWAWSANLJ-UHFFFAOYSA-N 347.764 4.144 0 50 EIAA CCc1ccc([C@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)cc1 252011147 SDDUJUBMPTYJCA-LSDHHAIUSA-N 342.508 4.107 0 50 EIAA Cc1ccoc1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F 253396898 NHTPAGFBDRPUFI-UHFFFAOYSA-N 331.265 4.311 0 50 EIAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(O)C(C)=O)[C@@]2(C)CC1 257355397 AMLZABRDYNLKCX-QZKGNRECSA-N 344.495 4.410 0 50 EIAA COc1ccc([C@H](NCc2nnc(C(C)(C)C)s2)C2CC2)c(F)c1 421845738 QWDBEMFWCLHXSB-MRXNPFEDSA-N 349.475 4.224 0 50 EIAA NC[C@@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)cc2)C1 426387688 NCKOZOBSUISYGG-LBPRGKRZSA-N 349.261 4.081 0 50 EIAA Cc1ccc(N[C@H](c2ccccc2)c2nc[nH]n2)cc1C(F)(F)F 675906137 WTOILAPBQTXOTJ-OAHLLOKOSA-N 332.329 4.333 0 50 EIAA CC1(C)C[C@@H](c2ccccc2)CN1Cc1ccc(F)cc1C(=O)O 903935346 XDGZILCYYLLXFJ-MRXNPFEDSA-N 327.399 4.292 0 50 EIAA Cn1cc(NC(=O)Nc2cnn(C3CCC3)c2)c(C2CCCCC2)n1 931585045 UCVCLBWHZKUMLM-UHFFFAOYSA-N 342.447 4.033 0 50 EIAA CC(=O)c1[nH]c(C)c(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1C 952964378 LPRKOYRTSFVKOP-UHFFFAOYSA-N 349.434 4.120 0 50 EIAA c1ccc(C2(Cc3noc(-c4cc(-c5cccs5)[nH]n4)n3)CC2)cc1 1875331752 BENLKBPLBIOZGQ-UHFFFAOYSA-N 348.431 4.463 0 50 EIAA CC(C)C1CCC([C@](C)(O)CNCc2ccc3c(c2)CCC3)CC1 2325842223 RRXGPHVQLGUKAB-FQUBMZHMSA-N 329.528 4.478 0 50 EIAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 168829 YWRGKJJANHXWLB-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA CCOc1ccc(NC(=O)Nc2nnc(-c3cccs3)s2)cc1 1252147 WMPKLLUCKFAEHB-UHFFFAOYSA-N 346.437 4.309 0 50 EIAA CC(C(=O)Nc1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F 2313787 TVFLSZBAFBVCBX-UHFFFAOYSA-N 342.264 4.366 0 50 EIAA biogenic COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 2994716 MODIIDIOQSARQX-UHFFFAOYSA-N 335.856 4.012 0 50 EIAA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc2c(c1)OCO2 4196742 GEAMHMBWFNQRTB-UHFFFAOYSA-N 342.395 4.365 0 50 EIAA CCOC(=O)c1sc(NC(=O)c2csc3ccccc23)nc1C 13745813 CKXQMMAYSSPZDG-UHFFFAOYSA-N 346.433 4.095 0 50 EIAA Cc1ccc(Cl)c(OC(C)(C)C(=O)Nc2ccc(Cl)cn2)c1 17071071 OYHMTBLFTJDTKC-UHFFFAOYSA-N 339.222 4.493 0 50 EIAA O=C(NCc1cccnc1Oc1ccccc1F)c1ccsc1 20472748 MRZRCSOXUOKWDC-UHFFFAOYSA-N 328.368 4.005 0 50 EIAA Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)C[C@H]3c2ccoc2)c1 65369980 OFWZAOVCJKRJMW-SFHVURJKSA-N 346.386 4.314 0 50 EIAA CC(C)c1cc(NCc2cccnc2N(C)Cc2ccccc2)ncn1 67894816 VGEAUSVHGYTODN-UHFFFAOYSA-N 347.466 4.244 0 50 EIAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCc1cccs1 77379007 RGUHHXXXTYINAU-OAHLLOKOSA-N 343.448 4.104 0 50 EIAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(F)c2)cc1 77520633 CHIZGQHQQSMYKE-HXUWFJFHSA-N 340.442 4.255 0 50 EIAA COc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(F)c2)cc1 102592622 XHEKTXVBXVZYAX-GGPHIMKMSA-N 339.410 4.385 0 50 EIAA Cc1cc(C)n(-c2cccc(NC(=O)C[C@@H](C)c3ccncc3)c2)n1 130436193 AUBOLBBPFLKQAQ-CQSZACIVSA-N 334.423 4.016 0 50 EIAA C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 137963308 BELVIBPWPXRFLQ-WBMJQRKESA-N 347.867 4.461 0 50 EIAA c1ccc([C@H]2CN(Cc3ccc(-c4ccccn4)cc3)CCO2)cc1 141832358 AFRZZFTXBCQSHJ-JOCHJYFZSA-N 330.431 4.322 0 50 EIAA CCN(CC(C)(C)O)c1nc(C2CC2)nc2sc3c(c12)CCCC3 170626710 WBQVOESZAUEEQH-UHFFFAOYSA-N 345.512 4.045 0 50 EIAA Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc3ccn(C)c3c2)s1 173806920 NTDQSFDPQWIRNF-GFCCVEGCSA-N 342.468 4.477 0 50 EIAA c1ccc(CN(Cc2ccccn2)Cc2ccc3ccccc3n2)nc1 196024102 PARCAHNXSXUOOE-UHFFFAOYSA-N 340.430 4.227 0 50 EIAA CN(Cc1ccncc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 348807732 JYPCLZQOMKZVJK-FUHWJXTLSA-N 334.822 4.226 0 50 EIAA Cc1cc(C)cc([C@H](NC2CCC(N(C)C)CC2)c2cccnc2)c1 796758392 DPPJUFQMVUUXPH-LZBANZJXSA-N 337.511 4.250 0 50 EIAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)CCCc2cccs2)cc1 828052286 QFLXEVCJVWATHN-CQSZACIVSA-N 342.464 4.225 0 50 EIAA CCCN(Cc1cccc(OC)c1)C(=O)c1ccc(C)n1C(F)F 1506420101 ULYIOEAFTICMLF-UHFFFAOYSA-N 336.382 4.253 0 50 EIAA Fc1ccc(-c2csc(O[C@H]3CCOC3)n2)cc1OC(F)(F)F 1875317464 ZIAIIIPOEVHLRV-VIFPVBQESA-N 349.305 4.016 0 50 EIAA O=C(O[C@H]1C[C@@H](Sc2ccccc2)C1)c1cncc2c1CCC2 2325855190 LPIYYGCSCIENHN-FZNQNYSPSA-N 325.433 4.050 0 50 EIAA Cc1sc(NC(=O)c2ccc(F)cc2)c(C(=O)OC(C)C)c1C 433094 BPZYEXWOQXQNLZ-UHFFFAOYSA-N 335.400 4.322 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 859294 VHTJHRSKPVPAGM-DHZHZOJOSA-N 328.799 4.340 0 50 EIAA CCOc1ccc([C@@H]2C[C@H](c3ccc(C)c(C)c3)Nc3ncnn32)cc1 2870741 KMNZVUHMUWNSPV-UXHICEINSA-N 348.450 4.440 0 50 EIAA O=C(Nc1ccc(C(=O)O)cc1)Nc1cc(Cl)ccc1Cl 4776748 MQKSQWKLLSIFQL-UHFFFAOYSA-N 325.151 4.336 0 50 EIAA O=C(O)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 6741703 CBWMJWGSUPREGW-UHFFFAOYSA-N 335.812 4.295 0 50 EIAA COc1ccccc1CN1CCC(CN(CC(C)C)C2CCC2)CC1 14974145 ZORXYYJUWAVWGM-UHFFFAOYSA-N 344.543 4.418 0 50 EIAA CC(C)CN(C)C(=O)c1cc(-c2cn[nH]c2)nc2cc(Cl)ccc12 20149216 HEZPZJYZXHOBKO-UHFFFAOYSA-N 342.830 4.006 0 50 EIAA C[C@H](CCCC(C)(C)O)CCNC[C@@H]1CCN(c2ccccc2)C1 32582125 HVSLWNDFMZVPDM-MOPGFXCFSA-N 332.532 4.070 0 50 EIAA CCc1ccc(CN(C)C(=O)c2cc(C)nc3c(C)cccc23)nc1 63856670 YULJSNFYGFCZBN-UHFFFAOYSA-N 333.435 4.081 0 50 EIAA COc1ccc(Oc2cc(CN3CCCC3)ccc2OC)cc1C 67921687 BVGGLNQJSGCUOK-UHFFFAOYSA-N 327.424 4.400 0 50 EIAA O=C(c1ccc2ncccc2c1)N1CCC(OCc2ccccc2)CC1 77320447 OKQBSSFAFHGJEQ-UHFFFAOYSA-N 346.430 4.056 0 50 EIAA COCC[C@@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)ccc1OC 95501478 HUVUSRZOUGBEGE-INIZCTEOSA-N 348.487 4.416 0 50 EIAA Clc1cccc(Cl)c1-c1nc2ncnc(Br)c2[nH]1 95829762 CPHQYGWOXFTDEY-UHFFFAOYSA-N 343.999 4.089 0 50 EIAA Oc1nc2ccccc2cc1CNc1ccc(CN2CCCC2)cc1 121598372 NUKLAUNHMPGYDQ-UHFFFAOYSA-N 333.435 4.148 0 50 EIAA CC(C)n1ccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 179069173 NELMUHYLEZKRQD-IBGZPJMESA-N 340.858 4.392 0 50 EIAA c1ccc(C2CC(Nc3ccc(Cc4nnc5n4CCC5)cc3)C2)cc1 188598508 IVDMHBFYZYEAMY-UHFFFAOYSA-N 344.462 4.173 0 50 EIAA CCCc1cc(=O)[nH]c(/C(=C/c2cccc(C(=O)O)c2Cl)CC)n1 193618225 SCLKGVDMYOJIOG-PKNBQFBNSA-N 346.814 4.025 0 50 EIAA Cc1oncc1-c1csc(-c2ccc(NC(=O)C3CC3)cc2)n1 194940604 STEYWKYYRIBCJC-UHFFFAOYSA-N 325.393 4.122 0 50 EIAA CCOc1ccc(-c2ccc(CN(C)[C@H](C)c3ccncn3)o2)cc1 216455579 CTYGLOPCFMEHPH-OAHLLOKOSA-N 337.423 4.328 0 50 EIAA CC(C)c1c(NCc2nncs2)cnn1-c1ccccc1Cl 902044488 BDGBDVDGVISBFG-UHFFFAOYSA-N 333.848 4.113 0 50 EIAA Cc1cccn2ncc(C(=O)N(Cc3ccsc3)C3CCCC3)c12 1772700249 AIRCISKAUYTFIP-UHFFFAOYSA-N 339.464 4.289 0 50 EIAA C[C@H](N[C@@H](c1ncc[nH]1)C1CCCCC1)c1nc(C(C)(C)C)no1 1775985315 OFSMQDCCQCWMTM-GXTWGEPZSA-N 331.464 4.062 0 50 EIAA CC[C@@H]1C[C@H](n2ccnc2-c2cnc(-c3ccccc3)s2)CCN1 1857677879 PLJNILZIOFJLHY-HZPDHXFCSA-N 338.480 4.377 0 50 EIAA CSc1nnc2c(n1)O[C@H](c1ccc(C)s1)Nc1ccccc1-2 86661 LQOCHDSDUKJFDW-CQSZACIVSA-N 342.449 4.134 0 50 EIAA COc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1O 197417 AARKQWCTGNOAHP-UHFFFAOYSA-N 346.430 4.426 0 50 EIAA biogenic Cc1cc(OCC(=O)Nc2cc(Cl)ccc2O)cc(C)c1Cl 466999 DXQBZKIRLKRBGR-UHFFFAOYSA-N 340.206 4.333 0 50 EIAA CC(=O)c1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 488484 PGTHPAKSAOZVOR-SFHVURJKSA-N 339.464 4.208 0 50 EIAA biogenic CSc1ccccc1NC(=O)c1ccc(Br)s1 1052223 KSOFDXSGHKZFFC-UHFFFAOYSA-N 328.256 4.485 0 50 EIAA NC(=O)c1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1 1305269 VBCHCNYAJPREEN-UHFFFAOYSA-N 340.386 4.139 0 50 EIAA CCCCCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 2171916 QBTKJSXLXYLTTK-UHFFFAOYSA-N 327.380 4.237 0 50 EIAA Cc1ccc(-c2n[nH]cc2CN(C)CC[C@H]2CCCCO2)cc1C 11663769 XMWAPFUIXRKGLC-LJQANCHMSA-N 327.472 4.085 0 50 EIAA Cc1cccc(C)c1NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 11690468 IQFKJUWCHALFHI-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 11996575 NCMZQTLCXHGLOK-XUJUZBCESA-N 330.468 4.450 0 50 EIAA Cc1ccc(CNc2nc(C)c(-c3ccn(CC4CC4)n3)s2)o1 12134755 LEUKYBQJETYWHE-UHFFFAOYSA-N 328.441 4.239 0 50 EIAA Cc1cccc(NC(=O)CCC2CCN(C(=O)C3=CCCC3)CC2)c1 12701556 WDXVAIKTTPJCLY-UHFFFAOYSA-N 340.467 4.063 0 50 EIAA Cc1cccnc1-c1cccc(-c2ccn(Cc3cccnc3)n2)c1 20453571 SREMSCCXPLXIKZ-UHFFFAOYSA-N 326.403 4.364 0 50 EIAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(C2CCCCC2)no1 33269841 ABUIXBNSBRCOTK-INIZCTEOSA-N 343.427 4.304 0 50 EIAA Cc1nn(C)cc1-c1ccnc(N(C)Cc2cc3ccccc3s2)n1 48488698 XYHLTNMNVPFYJV-UHFFFAOYSA-N 349.463 4.037 0 50 EIAA Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(OCC(F)(F)F)c1 135815773 XTZANLVDUITUDE-UHFFFAOYSA-N 341.333 4.035 0 50 EIAA O=C(Nc1ccc(OC2CCCC2)cc1)c1coc(CC2CC2)n1 170597800 NVQBOPABXYWMAH-UHFFFAOYSA-N 326.396 4.201 0 50 EIAA O=C(N[C@H]1CCCOCC1)N(Cc1ccccc1F)C1CCCCC1 181753372 LBGATCAGECDCMZ-KRWDZBQOSA-N 348.462 4.239 0 50 EIAA CCc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2C(C)=O)cc1 225782162 AVUMMCKSKHFTQA-NRFANRHFSA-N 335.451 4.013 0 50 EIAA COc1cccc([C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)c1 252481504 CNEYRWFECUDEHF-FQEVSTJZSA-N 334.419 4.014 0 50 EIAA Cc1ccc([C@H](CNC(=O)c2sccc2C2CC2)N2CCCC2)o1 337724800 SJLJQNNMMYUQAX-INIZCTEOSA-N 344.480 4.094 0 50 EIAA CC(C)n1ncc2c1C[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)CC2 657990702 VTLQDTRPAQHIDJ-DOMZBBRYSA-N 334.414 4.005 0 50 EIAA CC(=O)c1cnc(N[C@@H]2CC3(CCCC3)Oc3ccccc32)nc1C 1772701567 NZEKDJDPDMTRCJ-QGZVFWFLSA-N 337.423 4.236 0 50 EIAA O=C(O)CC1(c2ccc(Br)cc2)CCC(F)(F)CC1 1772718262 BZMHOVKAKJISKM-UHFFFAOYSA-N 333.172 4.371 0 50 EIAA CC1(c2ccc(NC(=O)N3CCC(C)(N4CCCC4)CC3)cc2)CC1 2325769550 WGHXVPMACSANEO-UHFFFAOYSA-N 341.499 4.220 0 50 EIAA CC(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 82853 ZZBZHKRMPYPASA-GFCCVEGCSA-N 342.778 4.470 0 50 EIAA Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1C 266048 CJWSWVFYPKDMSX-UHFFFAOYSA-N 339.420 4.084 0 50 EIAA O=C(Nc1cc(Cl)ccc1Cl)OCc1ccc2c(c1)OCO2 396579 RLSMXDZXKDAQKG-UHFFFAOYSA-N 340.162 4.471 0 50 EIAA CC(=O)O[C@H](C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 406491 NWRDCPRKMXFJGF-HNNXBMFYSA-N 338.190 4.236 0 50 EIAA COc1ccc(-c2cc([C@@H](O)[C@H]3CCCCN3)c3ccccc3n2)cc1 1608705 PKDJQOGOVQLPPG-IFMALSPDSA-N 348.446 4.086 0 50 EIAA in-vitro Cc1cccc(-n2c(/C=C/c3cccnc3)nc3ccccc3c2=O)c1 4859630 UDXOKVRGXFJGFJ-VAWYXSNFSA-N 339.398 4.260 0 50 EIAA CC[C@H](C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1)c1ccccc1 7759531 NJSPVSLYJJJCJD-SFHVURJKSA-N 349.434 4.197 0 50 EIAA COc1cc(CNC(=O)c2ccccc2Cl)ccc1OC(C)C 10542665 TYCYGZSVCADQEC-UHFFFAOYSA-N 333.815 4.066 0 50 EIAA CC[C@H](C)NC(=O)c1csc2nc(-c3ccccc3Cl)cn12 12298307 JCPZEQRAROCUOQ-JTQLQIEISA-N 333.844 4.245 0 50 EIAA COc1ccc(CC[C@@H](C)Nc2cc(OC)c(OC)c(OC)c2)cc1 12383441 XNAXAQOSEYQXIF-CQSZACIVSA-N 345.439 4.154 0 50 EIAA c1cc(OC2CCCC2)ccc1CN1CCC[C@H](N2CCCC2)C1 19787864 JWEOVNMKXJXZKD-IBGZPJMESA-N 328.500 4.068 0 50 EIAA O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@@H]1c1ccco1 21525378 OHPSXRUVXIBLPV-OAHLLOKOSA-N 326.327 4.051 0 50 EIAA CCc1n[nH]c(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)c1C 72432450 LXAZPYUHPZSUEB-UHFFFAOYSA-N 349.434 4.345 0 50 EIAA Cn1c2ccccc2c2ccc(CN3CCCC[C@@H]3CC(=O)O)cc21 97797247 FYPZETOFAFUUQB-MRXNPFEDSA-N 336.435 4.161 0 50 EIAA C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 100772606 TWERYHRCEGDWKB-LRDDRELGSA-N 347.336 4.389 0 50 EIAA CC(C)c1nc2ccc(NC(=O)N[C@H]3CCOC(C)(C)C3)cc2s1 163539008 BPCJKNADKYDNML-ZDUSSCGKSA-N 347.484 4.499 0 50 EIAA Cc1ccc([C@@H](CNc2ncnc3c2oc2ccccc23)N(C)C)cc1 170596179 GVIZXJUYNPQQDB-QGZVFWFLSA-N 346.434 4.399 0 50 EIAA COC[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccco1 186215006 YZVYLHCCYVJSPE-LBPRGKRZSA-N 347.720 4.069 0 50 EIAA CC(=O)N(C)c1ccccc1NCc1cc(-c2ccc(C)cc2)no1 225420988 PDSIMDDOOHDZRG-UHFFFAOYSA-N 335.407 4.245 0 50 EIAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1(C)C 239782421 COKKROBPINNDRC-YIYPIFLZSA-N 335.410 4.017 0 50 EIAA C[C@@H]1CCCC[C@@H]1OCCN(Cc1cccs1)C[C@H]1CCCO1 248038925 UJBUNJBNRVMAAW-LMMKCTJWSA-N 337.529 4.324 0 50 EIAA CC(=O)Nc1ccc(NC(=O)CSC(C)(C)C)c(C(F)(F)F)c1 248169886 RKDDVLDQQXWBAJ-UHFFFAOYSA-N 348.390 4.134 0 50 EIAA CCC[C@H](C)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 295608696 MCYXNEQXLIXTRC-JTQLQIEISA-N 334.407 4.304 0 50 EIAA CN(CCC(C)(C)O)C(=O)c1cccc(-c2ccc(F)c(Cl)c2)c1 426431187 XLBGTMXXAHQIAZ-UHFFFAOYSA-N 349.833 4.379 0 50 EIAA CCOCc1nc(C)c(C(=O)N(C)Cc2cc3ccccc3o2)s1 450030399 YYFGWOHQIDQTJR-UHFFFAOYSA-N 344.436 4.006 0 50 EIAA O=C(CCCc1nc(-c2ccc(Cl)cc2Cl)no1)C1CC1 453176996 MVEIEOOYPMJXPA-UHFFFAOYSA-N 325.195 4.345 0 50 EIAA CC(C)c1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1 1529099164 RXGCQZNGSGRJBJ-FGYAAKKASA-N 328.500 4.001 0 50 EIAA COc1cc(OC)cc(C(=O)OCc2ccc(C(C)(C)C)cc2)c1 150953 DMCDNAVAEFKXED-UHFFFAOYSA-N 328.408 4.358 0 50 EIAA Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1 246465 YIURYXHWOANFKY-UHFFFAOYSA-N 328.462 4.297 0 50 EIAA COc1ccc2nc(NC(=O)c3cc4c(s3)CCCC4)sc2c1 401040 YINIWXOQZYFNHQ-UHFFFAOYSA-N 344.461 4.498 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1 401888 XSHQIVYUCNYQRT-UHFFFAOYSA-N 340.608 4.450 0 50 EIAA Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl 516055 KVAVWPCKQDCIAK-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA O=C(c1cc(Br)ccc1Cl)N1CCc2ccccc21 621013 ABQAZHMSIQEYIG-UHFFFAOYSA-N 336.616 4.305 0 50 EIAA O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CCC1 1002536 GFJCCASFXVKFKJ-UHFFFAOYSA-N 337.242 4.311 0 50 EIAA CCCOc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C 2869423 MURSIFQQHZZYFB-INIZCTEOSA-N 347.480 4.132 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1 2877930 JCAMPSIRKCINNF-UHFFFAOYSA-N 343.308 4.415 0 50 EIAA O=C1C[C@H](c2ccccc2Cl)Cc2nc(NC3CCCC3)ncc21 4741295 NKUZPBUFQXYRIH-GFCCVEGCSA-N 341.842 4.397 0 50 EIAA O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(F)c1 4814337 CSVZGOFIZDQCPA-UHFFFAOYSA-N 348.377 4.008 0 50 EIAA Cc1cc(OCc2ccc(C(=O)N3CCCC3)cc2)ccc1Cl 4855981 QAZNMTSUVGBHDM-UHFFFAOYSA-N 329.827 4.463 0 50 EIAA COc1ccc(-n2ncc([C@H](C)NCc3ccc(C)s3)c2C)cc1 14976826 VKPNQDBANHPQAA-AWEZNQCLSA-N 341.480 4.410 0 50 EIAA C[C@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 15724363 BBJFXYAQZMJWIG-LPHOPBHVSA-N 327.468 4.075 0 50 EIAA O=C(Cc1noc(-c2cc(Cl)ccc2Cl)n1)Nc1ccccc1 16577822 KXCSKUFAFZTKTC-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA CC[C@@H](C)N(Cc1ccncc1)C(=O)c1cc(F)c(F)cc1Cl 55154284 YREMDHRUPUNEHO-LLVKDONJSA-N 338.785 4.454 0 50 EIAA CCN(C(=O)c1cc2cc(C)ccc2nc1C)[C@H]1CCOC(C)(C)C1 55254101 JBMLNYKYIGQIDM-KRWDZBQOSA-N 340.467 4.271 0 50 EIAA Cc1ccc(NC(=O)CN[C@@H](CC(C)(C)C)c2cccnc2)c(C)c1 65370505 YCTSEBSOLPCRRO-IBGZPJMESA-N 339.483 4.404 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H]1c1ccccn1 72463200 GEVHSOVUQLLJIP-KRWDZBQOSA-N 333.391 4.022 0 50 EIAA Cc1c(Cn2cc([C@@H]3CCOC(C)(C)C3)nn2)oc2ccccc12 91645592 VESLZIQQOZFYRP-CQSZACIVSA-N 325.412 4.054 0 50 EIAA Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cnc1Cl 121858605 GOAYJVSMUVGLOH-UHFFFAOYSA-N 331.734 4.090 0 50 EIAA O=C(NCCC[C@H]1CCCCO1)Nc1ccccc1-c1ccncc1 170595368 VXXBXPCLEKNBLG-QGZVFWFLSA-N 339.439 4.219 0 50 EIAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)c1cccc(O)c1 194955693 RGKVBYGSOFLQSW-QWRGUYRKSA-N 341.377 4.180 0 50 EIAA CCOc1ccc([C@H](CC)NC(=O)c2ccc(COC)s2)cc1 215511821 IKJNIXYSHPUXNN-INIZCTEOSA-N 333.453 4.174 0 50 EIAA O=C1C[C@H](c2ccccc2)C(=O)N1C(c1ccccc1)c1ccccc1 218909927 GPQKKSSPMZEKHL-HXUWFJFHSA-N 341.410 4.319 0 50 EIAA CC(C)[C@@H](NC(=O)c1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 223222443 ZMYHYAQJFJLIOT-LJQANCHMSA-N 346.434 4.182 0 50 EIAA FC(F)(F)c1cc(Br)c(Cl)c(Br)n1 238564873 JAYBRSIEXNYICA-UHFFFAOYSA-N 339.336 4.279 0 50 EIAA COc1ccc([C@@H](C)CN[C@H](c2ccccc2)C(C)(C)CO)cc1 242302221 YQOODWXTJVWMFQ-OXJNMPFZSA-N 327.468 4.148 0 50 EIAA O=C(CCSCc1ccccc1)N1CCC(c2ccncc2)CC1 244795974 RQQNPPBLOYDFCX-UHFFFAOYSA-N 340.492 4.111 0 50 EIAA O=C(c1ccccc1)N1CC[C@@H](CSC2=Nc3ccccc3C2)C1 253397772 AQEVXILNYGYJBJ-OAHLLOKOSA-N 336.460 4.168 0 50 EIAA CCOP(=O)(Cc1cccc(C(=O)N2CCCCC2)c1)OCC 1776004163 LVCRNUCGSZDJEY-UHFFFAOYSA-N 339.372 4.079 0 50 EIAA C[C@@H](C(=O)NCc1cccc(C2CC2)c1)c1cc2ccccc2nc1O 1875342765 GJCLZCVQFMHINN-CQSZACIVSA-N 346.430 4.238 0 50 EIAA O=C(Cc1cc(Cl)cc(Cl)c1)N(CC1CC1)c1cccnc1 2325758388 YIQCMYIXFGSWJV-UHFFFAOYSA-N 335.234 4.374 0 50 EIAA O=C(NCc1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl 61838 UQUCTANHHAXWHB-UHFFFAOYSA-N 345.807 4.213 0 50 EIAA O=C(Nc1cccnc1)c1cccc(-c2cc3ccccc3oc2=O)c1 539522 KNCCBDFDBNPWBA-UHFFFAOYSA-N 342.354 4.107 0 50 EIAA COc1cccc(OC)c1OCCCOc1cccc2cccnc12 2985701 YGSVCBJIMCQDCK-UHFFFAOYSA-N 339.391 4.100 0 50 EIAA Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc(F)c2)S3)c1 4268671 LBGSPNZGLOXFFU-OAHLLOKOSA-N 339.395 4.270 0 50 EIAA CCN(CC)CCC[C@H](C)NC(=O)Nc1cccc2ccccc12 5715181 RIYZFSVCQTXEPM-INIZCTEOSA-N 327.472 4.472 0 50 EIAA COc1ccc(NC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 6742630 BQNKRBKRVGLUPE-UHFFFAOYSA-N 339.439 4.325 0 50 EIAA O=C(c1cc2ccccc2o1)N1CCc2[nH]c3ccc(F)cc3c2C1 12390928 TXAMUDJGIMGSDX-UHFFFAOYSA-N 334.350 4.252 0 50 EIAA C[C@H]1CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C[C@@H](C)O1 16602696 YPNFDDQZGLSLBY-DTORHVGOSA-N 344.263 4.458 0 50 EIAA Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 28291499 YXNWDXDZDZMYCQ-SFHVURJKSA-N 342.508 4.260 0 50 EIAA FC(F)(F)c1nc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 49545207 UBONHJUPEZYONS-UHFFFAOYSA-N 340.308 4.477 0 50 EIAA O=C(c1ccsc1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72410666 GAVZTDPUSZLAOI-HNNXBMFYSA-N 329.400 4.131 0 50 EIAA CCN(C(=O)c1cc(C)nc2cc(F)ccc12)[C@H]1CCOC(C)(C)C1 82146280 MUTLKAHXYXQBJB-HNNXBMFYSA-N 344.430 4.102 0 50 EIAA c1ccc(C2(c3ccccc3)CCCN(Cc3ncccn3)C2)cc1 95505515 DEYPTFIDQKGIIX-UHFFFAOYSA-N 329.447 4.059 0 50 EIAA O=C(C1CCN(Cc2cccc(-c3ccccc3)c2)CC1)N1CCCC1 122503476 SHOSZGDQOILKOH-UHFFFAOYSA-N 348.490 4.188 0 50 EIAA CN(C)c1ccc(Cl)cc1NC(=O)N1CCc2sccc2C1 151364852 JTIXIRPSAMOSFD-UHFFFAOYSA-N 335.860 4.058 0 50 EIAA Cc1cc(=O)c(C(=O)Nc2ccc(SC(C)(C)C)cc2C)c[nH]1 172740695 SHJCCYQUBHVSGW-UHFFFAOYSA-N 330.453 4.135 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 185867969 FITDDRPTVJYQSX-CQSZACIVSA-N 343.402 4.096 0 50 EIAA Cc1cccc([C@@H](NC(=O)c2cc(C3CC3)[nH]c(=O)c2)C(C)(C)C)c1 186034770 VIMMDCVKNNMLNE-LJQANCHMSA-N 338.451 4.078 0 50 EIAA O=C(Nc1ccc(Oc2ccccc2)nc1)c1coc(C2CCC2)n1 194076692 SFAUSGPRPBPJFB-UHFFFAOYSA-N 335.363 4.382 0 50 EIAA C[C@@H](c1ccon1)N(C)Cc1ccc(-c2nc3ccccc3n2C)o1 215298076 SACBPZJKWCYLIK-ZDUSSCGKSA-N 336.395 4.014 0 50 EIAA COc1ccc(Cl)cc1-c1cccc(C(=O)N2CCSCC2)c1 299758209 PKUKVVHPOQLDAJ-UHFFFAOYSA-N 347.867 4.205 0 50 EIAA O=C(c1cccc(-c2cc[nH]n2)c1)N1CC=C(c2ccc(F)cc2)CC1 426398264 YTJINSGUDUBCDW-UHFFFAOYSA-N 347.393 4.145 0 50 EIAA Cc1noc(C)c1[C@@H](C)CC(=O)N1CCc2cccc(Cl)c2C1 458008914 FJTQVWMZAOSCCS-NSHDSACASA-N 332.831 4.023 0 50 EIAA Cc1csc([C@@H](C)C(=O)N2CCC(c3ccccc3F)CC2)n1 668912555 INQGONVRUSBISV-CYBMUJFWSA-N 332.444 4.100 0 50 EIAA COc1ccc(-c2cc(C(C)(C)C)nc(NCc3cccnc3)n2)cc1 824692036 XGKXCBWRMXGEDP-UHFFFAOYSA-N 348.450 4.457 0 50 EIAA CN(CC[C@H]1CCCCO1)C(=O)NCc1ccc(Cl)cc1Cl 825520480 ZVVWXUACFLAOKW-CQSZACIVSA-N 345.270 4.094 0 50 EIAA COc1ccc(CN(C)Cc2cccc(SC)c2)cc1CN(C)C 1506423093 SKVMDKWUCLQXQW-UHFFFAOYSA-N 344.524 4.111 0 50 EIAA Cc1cccn2cc(-c3ccc(N[C@@H](C)c4ccn(C)n4)cc3)nc12 1875328771 MAFOJWZFXIFHLH-HNNXBMFYSA-N 331.423 4.216 0 50 EIAA Cc1cnc(Cl)cc1NC(=O)N=c1cc(C[C@H](C)C(C)(C)C)[nH][nH]1 2325840433 ABYPZXNEYKURIU-NSHDSACASA-N 349.866 4.057 0 50 EIAA COc1cccc(CNCc2ccc(C(F)(F)F)cc2)c1OC 172175 UIJWECOFUIJXGE-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA CC[C@@H](C)Oc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 470557 MDNIWHCKACEEBU-UHCBGPFTSA-N 327.468 4.418 0 50 EIAA COC(=O)c1c(-c2ccco2)csc1NC(=O)c1sccc1C 473907 FYEZFXUMINYWKR-UHFFFAOYSA-N 347.417 4.417 0 50 EIAA Cc1ccc(NC(=O)CC[C@H]2COc3ccccc3O2)cc1Cl 529192 WJFOBLRITGGHBF-AWEZNQCLSA-N 331.799 4.207 0 50 EIAA O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCCCC1 815135 UIJCGIVRGPFIFI-UHFFFAOYSA-N 325.195 4.275 0 50 EIAA O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc(O)c2)on1 3908317 XDKVJIZLGVXFRD-UHFFFAOYSA-N 348.280 4.318 0 50 EIAA aggregator Cc1ccc(-c2noc(CNC(=O)CCC3CCCCC3)n2)cc1 7759644 FDQMTENWQGKXKZ-UHFFFAOYSA-N 327.428 4.022 0 50 EIAA COc1ccc(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)cc1C 11879873 MOLJMXAXTIBCCY-CYBMUJFWSA-N 341.411 4.148 0 50 EIAA Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCCc3ccccc32)no1 12521740 KSEXDSJYVSEVGF-FQEVSTJZSA-N 347.418 4.116 0 50 EIAA in-vitro CC(C)=CCC[C@H](C)CN1CCc2nnc(-c3ccccc3)n2CC1 15005083 GZNUXWUPCHSEKC-SFHVURJKSA-N 338.499 4.186 0 50 EIAA O=C(NCc1ccccc1)c1cc(-c2cccnc2)nc2ccccc12 16647488 MXEGPTCOKYLVPF-UHFFFAOYSA-N 339.398 4.227 0 50 EIAA CC(C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccco3)nc21 20603455 OJKYMTCYNHOUTI-UHFFFAOYSA-N 337.351 4.233 0 50 EIAA COc1ccc(CN2CCC[C@H](c3[nH]ncc3CC(C)C)C2)c(F)c1 20997497 ZKQVNEURHANVFR-INIZCTEOSA-N 345.462 4.136 0 50 EIAA CC[C@@H](C)N(Cc1ccsc1)C(=O)c1ccc(OC)cc1OC 55227507 ZDIYQMVJXSTXKD-CYBMUJFWSA-N 333.453 4.206 0 50 EIAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1cc(C(C)C)on1 55252752 PTGWRRPHEHMXRK-UHFFFAOYSA-N 343.427 4.487 0 50 EIAA CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 59740781 IMPOGHSJTJMELD-MRXNPFEDSA-N 330.472 4.033 0 50 EIAA Cc1ccc(-c2c(-c3ccccc3)ncn2[C@H]2CN3CCC2CC3)o1 65370638 WSOQWXNXXCVECJ-SFHVURJKSA-N 333.435 4.385 0 50 EIAA Cc1ccc(CN2CCC(OCc3cccnc3)CC2)c(C)c1F 67675389 CZMZVAHCMWAWCV-UHFFFAOYSA-N 328.431 4.019 0 50 EIAA COc1ccc(Oc2cccc(NC(C)=O)c2)cc1CN1CCCC1 67771384 VTLWXGWOAAAAOU-UHFFFAOYSA-N 340.423 4.042 0 50 EIAA c1ccc(OCCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1 67871873 VTFXPJPIQQMMNU-UHFFFAOYSA-N 330.391 4.019 0 50 EIAA Cn1nc(CN2CCC(c3ccncc3)CC2)c2c(Cl)cccc21 72469753 JQIWGKZPPMTPBR-UHFFFAOYSA-N 340.858 4.001 0 50 EIAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccs2)cc1 77407997 ONLSHIILBNWDOY-QGZVFWFLSA-N 328.481 4.177 0 50 EIAA CCNc1nc(C)c(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)s1 95507921 BIXGVBKDAKQOOT-LJQANCHMSA-N 343.496 4.077 0 50 EIAA c1ccc(Cn2cccn2)c(CN2CCCC[C@H]2c2nccs2)c1 216519683 LOVBQYNSRHQRTN-SFHVURJKSA-N 338.480 4.115 0 50 EIAA CC(C)c1cc(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)no1 274449367 KMSIFUJYWIMGBQ-HNNXBMFYSA-N 349.818 4.057 0 50 EIAA Cc1cc([C@@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)nn1C 281926977 ATYKIOOSWNVACE-OAHLLOKOSA-N 335.455 4.101 0 50 EIAA CSc1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)COC3)C2 299770011 OEWXFWFBAGPUOV-UHFFFAOYSA-N 340.448 4.029 0 50 EIAA O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(-c2cccnc2)nc2ccccc12 838264202 NVFVPTUZPRSOOW-CFLQYTFWSA-N 343.430 4.215 0 50 EIAA COc1cccc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)O2)n1 1857523989 CFZAABLSPYFHIG-VQTJNVASSA-N 330.387 4.350 0 50 EIAA Fc1cc2nc(C(Cl)=Cc3cc4n(n3)CCCC4)[nH]c2cc1F 1857530935 PTCNONNYZGEAGC-UHFFFAOYSA-N 334.757 4.111 0 50 EIAA Cc1cccc([C@@H]2[C@H](C)CN2C(=O)C[C@@H]2CC[C@@H]3COCC[C@H]3C2)c1 1875405669 LPZWOXNPMFCRJA-AGLNEOCTSA-N 341.495 4.357 0 50 EIAA CN(Cc1cc(Cl)cc(Cl)c1)C1=NC[C@H](c2ccccc2)N1 2325863929 AJNPBANFMNCUSD-MRXNPFEDSA-N 334.250 4.126 0 50 EIAA S=C1NC(c2ccccc2)=C[C@@H](c2ccc(Br)cc2)N1 85824 KQCZHXHDFFWTQL-HNNXBMFYSA-N 345.265 4.009 0 50 EIAA Oc1ccc(Br)cc1-c1nnc2ccc3ccccc3n12 86361 UVNMTZSUVDFUPA-UHFFFAOYSA-N 340.180 4.018 0 50 EIAA CCC[C@@H](C)c1c(O)nc(SCc2ccccc2)n(CC)c1=O 216634 FKFBENWGMLIKSM-CYBMUJFWSA-N 332.469 4.165 0 50 EIAA Cc1sc2nc(-c3ccc(Br)cc3)oc(=O)c2c1C 305080 DSTBWTBWHVNMMR-UHFFFAOYSA-N 336.210 4.296 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccccc2Br)c(C)c1 362538 TVUDYAAMXOKBKD-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 427718 GIEPUPNZIWNCPV-AWEZNQCLSA-N 339.435 4.320 0 50 EIAA CCOC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 433874 MRGBSQKPEHIUEV-SNVBAGLBSA-N 325.430 4.007 0 50 EIAA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1 466736 FJQMNGXJVJMRTI-GFCCVEGCSA-N 349.814 4.072 0 50 EIAA COc1cc(OC)c(C(=O)Nc2ccccc2C(C)(C)C)cc1OC 496507 NYNYGCKXTIAFQQ-UHFFFAOYSA-N 343.423 4.262 0 50 EIAA Cc1ccc2cccc(NC(=O)COc3ccccc3Cl)c2n1 6697587 OGEALEWTEAIZEN-UHFFFAOYSA-N 326.783 4.214 0 50 EIAA Fc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1 13114085 ZNNKJRBVULVEPT-UHFFFAOYSA-N 338.205 4.152 0 50 EIAA aggregator Cc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCC(C)CC2)c1 15860271 MDYBOYSXIKVSHQ-IBGZPJMESA-N 340.467 4.099 0 50 EIAA O=C(Nc1ccc(Br)cc1)Nc1ccc(F)cc1F 18176732 BPZWIFLZCJLYTA-UHFFFAOYSA-N 327.128 4.371 0 50 EIAA Cc1cccc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1 20616045 NMLIEDUGPGDSKE-UHFFFAOYSA-N 339.342 4.214 0 50 EIAA CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)no1 35511383 RMUKNILPXSKSCR-HNNXBMFYSA-N 335.354 4.445 0 50 EIAA Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2c2cccnc2)c1C 55403952 PMHPHPHUQQOJKB-IBGZPJMESA-N 338.451 4.139 0 50 EIAA CCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccc(C)c(F)c1 65384144 FOABOTLQKBUHEG-HNNXBMFYSA-N 342.370 4.177 0 50 EIAA C[C@@H]1CCCN1Cc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 65385698 GBFBXUZIJASNEH-MRXNPFEDSA-N 345.446 4.471 0 50 EIAA COc1ccc(Cl)cc1C(=O)N(C)Cc1cccc2ncccc12 77408176 QPZNPOIOMPYBFA-UHFFFAOYSA-N 340.810 4.169 0 50 EIAA Cc1cc([C@H]2CCCN2C(=O)c2cc(C)nc3c(C)cccc23)on1 82091421 WDGRJCMGSSAVMB-QGZVFWFLSA-N 335.407 4.125 0 50 EIAA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102607103 LKWMEDLWCIVBFH-MRBYEJRBSA-N 348.295 4.096 0 50 EIAA Cc1cscc1-c1nc(-c2ccc(N3CCCCC3)nc2)no1 178631302 DFMUKAFKNCROBW-UHFFFAOYSA-N 326.425 4.159 0 50 EIAA Cc1cnccc1NC(=O)N1CCC(=Cc2ccccc2F)CC1 271164383 WTNGGMMSMHDLOO-UHFFFAOYSA-N 325.387 4.240 0 50 EIAA C[C@H]1CCCN(c2cc(-c3nc([C@@H]4CCC(F)(F)C4)no3)ccn2)C1 291146328 YXLOOLDOJCEUBI-GXTWGEPZSA-N 348.397 4.271 0 50 EIAA C[C@H](NC1CCC2(CC1)C(O)=Nc1ccccc12)c1ccncc1F 328776447 FOPMDFGMRDFAHC-LTQQYIGLSA-N 339.414 4.354 0 50 EIAA Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC2(CCC2)c2ccccc21 364933722 ZFLUIXIPEXLXDN-ZDUSSCGKSA-N 339.439 4.046 0 50 EIAA C[C@H](NC(=O)c1cccc(-c2cnn3cccnc23)c1)C1=CCCCC1 426399204 KHTRSLVHRXBFOB-HNNXBMFYSA-N 346.434 4.015 0 50 EIAA Cc1ccc([C@H](C)NC(=O)N(C)CCCSc2ccccc2)cn1 426628651 AEAPQYCORVNBAK-INIZCTEOSA-N 343.496 4.275 0 50 EIAA C[C@@H](NCc1ccc(OCC(F)F)cc1)c1nc2c(s1)CCC2 459652858 QYAYVVZVHITKPC-LLVKDONJSA-N 338.423 4.127 0 50 EIAA C[C@@H](CCc1ccccc1)NC1CCN(Cc2cccs2)CC1 821831565 RYZNXHBELIGDNP-KRWDZBQOSA-N 328.525 4.323 0 50 EIAA CCCO[C@@H]1CCCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C1 952969616 BWEXAPGIWSZVGN-LJQANCHMSA-N 345.462 4.019 0 50 EIAA Cc1cc(C(=O)Nc2cc(-c3ccccc3)c(C)c(C)n2)cc(O)n1 1857722153 PRVVCALIHGCOIG-UHFFFAOYSA-N 333.391 4.027 0 50 EIAA CC1(C)CO[C@@H](C(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)C1 1875358149 LIMACIVEWXPWDA-NHCUHLMSSA-N 349.474 4.170 0 50 EIAA COc1ccc(OC)c(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c1 2325704990 OWYSUPLZPSPCGQ-UHFFFAOYSA-N 347.827 4.041 0 50 EIAA Cc1ccc2c(c1)SCCCN2Cc1cnn(C2CCOCC2)c1 2325779725 ZZQZMSADUVGGIJ-UHFFFAOYSA-N 343.496 4.045 0 50 EIAA O=C(CC1(C(=O)O)CCCCC1)N1CCCCC[C@H]1c1ccco1 2325841314 OESVWNSTYNTWKV-HNNXBMFYSA-N 333.428 4.149 0 50 EIAA CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cn1 69597 MDTFXBUMKNQYQM-CYBMUJFWSA-N 347.827 4.386 0 50 EIAA Nc1nc(SCCc2ccccc2)nc2sc3c(c12)CCC3 85709 FKDYGVAQWVNMSS-UHFFFAOYSA-N 327.478 4.097 0 50 EIAA c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 289195 YVPZEKGOFQQVJJ-UHFFFAOYSA-N 346.438 4.349 0 50 EIAA CCN(CC)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 610147 BNHSSNPUYSNWFJ-UHFFFAOYSA-N 325.412 4.379 0 50 EIAA Cc1cc(C(C)(C)C)ccc1OCCOCCN1CCC[C@@H](C)C1 2823941 ROWMGARRALLJRX-QGZVFWFLSA-N 333.516 4.420 0 50 EIAA CCCN(CCC)c1ncnc2c1cnn2-c1ccc(Cl)cc1 3912228 DPBJYYIKYGSBIY-UHFFFAOYSA-N 329.835 4.095 0 50 EIAA Cc1c(Cl)cccc1-n1c(S)nnc1CCc1ccccc1 6399486 KXENIWRBFYGZCJ-UHFFFAOYSA-N 329.856 4.303 0 50 EIAA CCSc1ncc(Cl)c(C(=O)Nc2ccccc2Cl)n1 6810435 RXHVOGPLKXDUNU-UHFFFAOYSA-N 328.224 4.148 0 50 EIAA Fc1ccc(CN(Cc2ccc(Cl)nc2)C[C@@H]2CCCO2)cc1 55371229 TXOLCDCXYOLKLU-KRWDZBQOSA-N 334.822 4.055 0 50 EIAA Cc1nn(C)c(C)c1CN(Cc1c(Cl)cncc1Cl)C(C)C 63833624 ZESQKVFGKIBWDR-UHFFFAOYSA-N 341.286 4.149 0 50 EIAA Fc1ccc([C@@H](CCNc2nnc(C3CC3)o2)c2ccco2)cc1 91707693 JFDFGJRIEGUYMZ-OAHLLOKOSA-N 327.359 4.313 0 50 EIAA O=C(CC(=O)c1ccc(Cl)cc1)CC(=O)c1ccc(Cl)cc1 100099849 JVGXKNGROPICAX-UHFFFAOYSA-N 335.186 4.408 0 50 EIAA C[C@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 112040359 JVKPHYKYPBKHNU-MRXNPFEDSA-N 348.446 4.413 0 50 EIAA CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc2c(c1)CCO2 130007476 GDVLTJYQLIKHAY-UHFFFAOYSA-N 337.350 4.297 0 50 EIAA Clc1cccc(-c2nnc(CN3CCc4ccsc4C3)o2)c1 132822491 QGLOETNOZPZTHV-UHFFFAOYSA-N 331.828 4.010 0 50 EIAA CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3sncc3c2)C1 170609542 ZSSCLGOPEOEKRM-TZMCWYRMSA-N 335.498 4.482 0 50 EIAA CCO[C@H]1C[C@H](N(C)C(=O)/C=C/c2csc(C)n2)C12CCCCC2 170638949 WSJKGXRKSCUVQD-AFYXXPPBSA-N 348.512 4.051 0 50 EIAA COc1ccc(-c2nsc(NC(=O)c3c(C)cccc3C)n2)cc1 175189580 YASALOPJMUWCHT-UHFFFAOYSA-N 339.420 4.083 0 50 EIAA Cc1ncsc1CCN(C)C(=O)[C@@H](c1ccccc1)C1CCCC1 215108742 QCQFHACBHAXFTQ-IBGZPJMESA-N 342.508 4.426 0 50 EIAA Cc1noc([C@H]2CCCCN2Cc2cc(C3CCCCC3)no2)n1 244874136 WVABYEDNHVVDHM-QGZVFWFLSA-N 330.432 4.141 0 50 EIAA Cc1cc(NC(=O)c2cc(-c3cccnc3)on2)cc(C(F)(F)F)c1 252511155 ZVEJYWYPAZEDNZ-UHFFFAOYSA-N 347.296 4.316 0 50 EIAA Cc1csc([C@H]2CCCCN2Cc2nc(C3CCCC3)no2)n1 328617290 UAOFDCHXPQOEJI-CQSZACIVSA-N 332.473 4.219 0 50 EIAA Fc1cccc(Oc2ccc(CN[C@@H]3CCC34CCOCC4)cn2)c1 374326358 OVZWWNNLBSOIJG-GOSISDBHSA-N 342.414 4.062 0 50 EIAA CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C3CCCCC3)cc2)C1 492795649 YVKAACLMYYBRFH-SFTDATJTSA-N 340.511 4.291 0 50 EIAA C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C(C)(C)C)CC1 1169307445 VDIMXQRFXWHQEQ-CQSZACIVSA-N 336.907 4.103 0 50 EIAA O=C([C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)N1CCC[C@H]1c1ncc(-c2ccccc2)[nH]1 1775985417 SHWIZSUZPHWCJO-QEYSWXTQSA-N 347.462 4.032 0 50 EIAA CC(C)C1CCC([C@](C)(O)CNCc2ccc3c(c2)CCOC3)CC1 2325842131 PELUPMBRXJYYBF-FQUBMZHMSA-N 345.527 4.062 0 50 EIAA Cc1scnc1[C@@H](C)Nc1nccc(-c2ccc(N(C)C)cc2)n1 2356143517 LHRJWBYKROANMF-GFCCVEGCSA-N 339.468 4.148 0 50 EIAA C[C@@H](NC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 239588 BNGOECDWXLLTOM-MRXNPFEDSA-N 344.414 4.430 0 50 EIAA CCN(CC)c1ncnc2scc([C@@H]3COc4ccccc4O3)c12 249397 LUURBQJWILSPPZ-HNNXBMFYSA-N 341.436 4.050 0 50 EIAA O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 277252 YJUKWTYRJQOSHV-VAWYXSNFSA-N 329.359 4.475 0 50 EIAA COc1ccc(C(=O)[C@@H](OC(=O)c2ccco2)c2ccccc2)cc1 453370 YTLJHKXSFWBNEN-IBGZPJMESA-N 336.343 4.069 0 50 EIAA O=C(OCc1ccc(F)cc1)c1ccc2c(c1)-c1ccccc1C2=O 1115849 KABDJWAOCUDBSI-UHFFFAOYSA-N 332.330 4.394 0 50 EIAA CCCCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1 2109219 HTBUQHQMFMYKKY-ROUUACIJSA-N 329.440 4.415 0 50 EIAA CCOC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 2574218 MQRCEVJUXOYQKL-GFCCVEGCSA-N 349.789 4.078 0 50 EIAA in-vitro Cc1c(Cl)cccc1NC(=O)CCN1CCc2ccccc2C1 4685590 VCYTVOGZPDNTHO-UHFFFAOYSA-N 328.843 4.035 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1 10112657 OULTYNINUJRITF-UHFFFAOYSA-N 331.437 4.117 0 50 EIAA COc1ccc(O)c(-c2cc(-c3cccc(Br)c3)[nH]n2)c1 13126645 AMXKDIKRDYCVLR-UHFFFAOYSA-N 345.196 4.220 0 50 EIAA O=C(CCc1ccccc1F)N[C@H]1CCCN(C2CCCCCC2)C1 14968764 BHDBPGZSBFYIOJ-SFHVURJKSA-N 346.490 4.062 0 50 EIAA O=C1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 25692854 KAEAITWIXLBOTC-VJBWXMMDSA-N 328.411 4.415 0 50 EIAA CCCCC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)O 27642911 VNYSSYRCGWBHLG-GEWAPNICSA-N 336.472 4.158 0 50 EIAA in-vitro,metabolite CCc1ccc([C@H](CNC(=O)c2ccccc2C)N2CCCC2)cc1 28293172 CEEUMIPRIZIOFK-NRFANRHFSA-N 336.479 4.124 0 50 EIAA CCn1c2ccccc2c2cc(CNCCCn3ccnc3)ccc21 35268956 NDKZDNJKHAOIRA-UHFFFAOYSA-N 332.451 4.191 0 50 EIAA Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@H]2C2CC2)c(C(F)F)n1 38248381 XQJQCBDIXRIYRP-QWHCGFSZSA-N 331.366 4.124 0 50 EIAA in-vivo C1=[N+](C23CC4CC(CC(C4)C2)C3)CCN1C12CC3CC(CC(C3)C1)C2 44583746 RGROCAXBDFXGOA-UHFFFAOYSA-N 339.547 4.280 0 50 EIAA in-vitro COCCC[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 82120540 WTZZSMMRZRUOBX-HNNXBMFYSA-N 329.362 4.127 0 50 EIAA CCn1c(C)cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1C 91746959 ZJQYYUMSYCPKFW-UHFFFAOYSA-N 342.458 4.359 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 95529184 XVNHCZWKLBFSDE-OAQYLSRUSA-N 339.483 4.220 0 50 EIAA CCc1cnc(CCNc2ncc(Cl)cc2Br)s1 170603446 SOXKDCSAUYNSFC-UHFFFAOYSA-N 346.681 4.171 0 50 EIAA C[C@H](c1ccccn1)N(C)Cc1cc(CN2CCCCC2)cs1 215722566 SKMJBBNAOACBJT-MRXNPFEDSA-N 329.513 4.322 0 50 EIAA C[C@H]1CN(Cc2cc(-c3cccs3)on2)C[C@@H](c2ccccc2)O1 229775810 LEVAYHYETPBUAI-KSSFIOAISA-N 340.448 4.365 0 50 EIAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)C1(C)C 229793911 VINKXWSOYAMQEJ-ZCNNSNEGSA-N 346.559 4.195 0 50 EIAA CCc1noc(C)c1NC(=O)N(Cc1c(F)cccc1F)C1CC1 252487358 HVDJHNAJZPQQAL-UHFFFAOYSA-N 335.354 4.020 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(C(F)(F)F)ccc1F 263536952 ZVSPQHSVBITLPQ-ONERCXAPSA-N 345.336 4.062 0 50 EIAA Cc1cc2occ(CC(=O)N(C)C[C@H]3CCCCO3)c2c(C)c1Cl 299772967 CCYIZKHVNREKPL-OAHLLOKOSA-N 349.858 4.273 0 50 EIAA CC[C@@H](NC(=O)N(Cc1ccsc1)CC(C)C)c1cccnc1 534653825 SGIQBPGVXVQFDE-QGZVFWFLSA-N 331.485 4.462 0 50 EIAA CC(C)CC[C@H](NC(=O)c1ccc(C(F)(F)F)c(O)n1)C(C)(C)C 668813500 HLVIXTLWJLMHFK-ZDUSSCGKSA-N 346.393 4.387 0 50 EIAA Cc1ccc(-c2csc(NC(=O)c3ccn(C(F)F)n3)n2)s1 678837390 XBGSHUOCKZUMPV-UHFFFAOYSA-N 340.380 4.024 0 50 EIAA CCN(CC)[C@@H]1CCN(C(=O)N2CCCc3cc(C(C)C)ccc32)C1 1875357951 CUTPHLBLKOLJOQ-LJQANCHMSA-N 343.515 4.099 0 50 EIAA COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 104484 YJNKDFDUTXAYNJ-HXUWFJFHSA-N 330.387 4.466 0 50 EIAA CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccccc1OC 141421 WUHOXDILPHYRMX-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccs2)n1 213249 JBYLXXPLZBHCAH-UHFFFAOYSA-N 325.315 4.429 0 50 EIAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(O)c3)cc12 463775 VLEKUAHIZAVEHJ-UHFFFAOYSA-N 349.415 4.353 0 50 EIAA O=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccccc2)cc1 467029 JGJOCGGZCJCKRX-UHFFFAOYSA-N 333.343 4.429 0 50 EIAA CC1(C)C[C@H](NC(=O)C[C@H](c2ccc(F)cc2)c2ccco2)CCO1 472379 ASBIGRMSMVGJFG-IAGOWNOFSA-N 345.414 4.015 0 50 EIAA Cc1cccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1C 473371 PCACQHJEESSEMD-UHFFFAOYSA-N 336.479 4.389 0 50 EIAA CCCCOC(=O)c1ccc(NC(=O)CCOc2ccccc2)cc1 1808105 IUSBYOOVIDYVNA-UHFFFAOYSA-N 341.407 4.051 0 50 EIAA biogenic CCc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 2362316 ODEKCVVWLLAWKU-UHFFFAOYSA-N 347.823 4.218 0 50 EIAA CCOc1cc(CNCc2ccncc2)ccc1OCc1ccccc1 4413581 VUTCCNWMRHTAJB-UHFFFAOYSA-N 348.446 4.349 0 50 EIAA CCOc1ccc(NC(=O)/C=C/c2cccc(OC)c2Cl)cc1 4542625 SVAULIWKZJWSEW-KPKJPENVSA-N 331.799 4.399 0 50 EIAA Cc1cc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)no1 4750063 LXQRKLCMRBEWNY-UHFFFAOYSA-N 343.452 4.160 0 50 EIAA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 7308935 JWXCAQZLNBVHDG-QMMMGPOBSA-N 336.265 4.094 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)cn1 11937911 KGMDILVESRNOMI-FQEVSTJZSA-N 337.467 4.230 0 50 EIAA Cc1cccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)n1 12319748 FXRSVCJYTMRVIJ-MRXNPFEDSA-N 328.843 4.138 0 50 EIAA Cc1ccc(-c2cnnc(N3CC[C@H](c4cccc(Cl)c4)C3)n2)o1 12752059 CFJNWSWIMPJVJE-AWEZNQCLSA-N 340.814 4.087 0 50 EIAA Fc1ccc(N[C@@H]2CCCN(Cc3cccc4ncccc34)C2)cc1 15073923 OKGRZUQCAVNMNS-LJQANCHMSA-N 335.426 4.450 0 50 EIAA Cc1cc(=O)[nH]c(SCCCOc2ccc(C(C)C)c(C)c2)n1 16362259 FHFBCMSUENCLMC-UHFFFAOYSA-N 332.469 4.071 0 50 EIAA Cc1noc(-c2ccccc2NC(=O)c2ccc(OC(C)C)cc2)n1 22459884 IZGWUHLRCCAKPC-UHFFFAOYSA-N 337.379 4.085 0 50 EIAA O=C(Nc1cccc(CN2CCCC2)c1)c1c(F)cccc1Cl 47452098 KTSHJAVHVOJVOF-UHFFFAOYSA-N 332.806 4.327 0 50 EIAA CCc1noc(C)c1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71755383 GXKJBXPCJTXEGT-MRXNPFEDSA-N 344.430 4.170 0 50 EIAA Cc1cccc(OC2CN(C(=O)c3cc(C)nc4c(C)cccc34)C2)c1 82106621 BHNANPMCGCLDLG-UHFFFAOYSA-N 346.430 4.063 0 50 EIAA Cc1nn(C)c2nc(N3CCC[C@H](c4ccccc4)CC3)sc12 95509017 IPLMZQCRINFNED-HNNXBMFYSA-N 326.469 4.112 0 50 EIAA Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCn4ccnc4C3)cc2)c1 178469742 SMHGNFQMRGOMMY-INIZCTEOSA-N 347.418 4.185 0 50 EIAA CCc1onc(C)c1NC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 183542530 JTZUDGPCYBQPTN-UHFFFAOYSA-N 341.455 4.433 0 50 EIAA C[C@H](Sc1ccc2ccccc2n1)C(=O)N[C@H]1CCCC[C@H]1C 248001217 SSUDPGGFIUOSAD-YCPHGPKFSA-N 328.481 4.410 0 50 EIAA O=C(O)c1ccc(CN2CCC[C@@H]2Cc2ccccc2Cl)cc1 263573822 MXFCRKCFGCIYFC-QGZVFWFLSA-N 329.827 4.245 0 50 EIAA CN(C)CCCN(C)C(=O)Nc1ccc(Oc2ccccc2F)cc1 299801275 YLHHDFCVOBACBW-UHFFFAOYSA-N 345.418 4.033 0 50 EIAA CCn1ncc(CN(C)C(=O)[C@@H](c2ccccc2)C2CCCC2)c1C 426621613 JMNPYBQRHXVWTQ-FQEVSTJZSA-N 339.483 4.144 0 50 EIAA Cc1nc(C2(NCCSCc3ccccc3)CCCCC2)no1 430762039 ANFJAEIBWRTTAF-UHFFFAOYSA-N 331.485 4.060 0 50 EIAA c1cc2c(c(-n3ccnc3-c3ccc([C@H]4CCCO4)s3)c1)CCO2 1772812550 MYAGKZMPNYBNOL-MRXNPFEDSA-N 338.432 4.387 0 50 EIAA Brc1ccc2c(NCCc3ccncc3)nccc2c1 2325855404 XVBVMBFQZDRAMT-UHFFFAOYSA-N 328.213 4.047 0 50 EIAA C/C=C/C[C@H](NC(=O)c1cc2sc3ccccc3c2s1)C(=O)O 2325877138 KCZNLXVUHPRDKX-VUDBWIFFSA-N 345.445 4.265 0 50 EIAA COc1ccc(-c2csc(CN3CCC[C@@H](OC)C3)c2)cc1F 2356170240 TVVNGCYYEWCWEV-OAHLLOKOSA-N 335.444 4.174 0 50 EIAA Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2)[C@H]3CCC1 296547 GZXAOPQXHYOCQM-FQEVSTJZSA-N 330.431 4.483 0 50 EIAA biogenic O=C(CSC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 451150 MJAOURQTBONHLV-UHFFFAOYSA-N 339.338 4.218 0 50 EIAA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Cl)cc1O 455123 FEHYFYPSGYSSHT-UHFFFAOYSA-N 342.565 4.153 0 50 EIAA CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2C)c1 471197 UMJLDGPZQCCWGX-UHFFFAOYSA-N 346.814 4.014 0 50 EIAA O=C1NN=C(c2ccc(Cl)cc2)C[C@H]1c1c(F)cccc1Cl 1397714 DHUWLJNUMMLFFB-NSHDSACASA-N 337.181 4.140 0 50 EIAA CCCCOc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 1839842 GRGRITPWAFYSCT-UHFFFAOYSA-N 327.468 4.420 0 50 EIAA COc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1C 2835715 TYQNXCFVFUXPKE-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA CCOc1ccc(OCCOCCOc2cccc(Cl)c2)cc1 2991093 BXOSGXKEFGUBLM-UHFFFAOYSA-N 336.815 4.213 0 50 EIAA C[C@H]1CCCCN1C(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 4840625 JPOQVBXAJXEOHC-HNNXBMFYSA-N 347.418 4.418 0 50 EIAA CC(C)(C)c1ccc(C2=NNC(=O)[C@@H](c3c[nH]c4ccccc34)C2)cc1 5187543 VJFZZNIMQBQZRE-QGZVFWFLSA-N 345.446 4.473 0 50 EIAA Cc1cccc(NC(=O)COCc2cc(-c3cccs3)on2)c1C 6876586 LXWUNIKBVXIAKH-UHFFFAOYSA-N 342.420 4.175 0 50 EIAA CCCCc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 12864703 MOGBCNYIGJNIOO-UHFFFAOYSA-N 344.499 4.252 0 50 EIAA O=C(NCC1CCOCC1)c1ccccc1Cc1ccc(Cl)cc1 55309395 DOXPYYPNOMSPCO-UHFFFAOYSA-N 343.854 4.087 0 50 EIAA c1ccc(NCCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)cc1 65452005 BKZIJOYBHMZCCQ-SFHVURJKSA-N 333.435 4.166 0 50 EIAA Clc1ccc([C@@H]2CN(CCc3ccccn3)CCO2)cc1Cl 71751278 SHECAWJMNGSQEB-KRWDZBQOSA-N 337.250 4.004 0 50 EIAA COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc2cnccc12 73075395 DNVYXCQIOATDOL-IBGZPJMESA-N 332.403 4.221 0 50 EIAA O=C(c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1 100495199 CTUQBZGKHZPYJF-UHFFFAOYSA-N 328.367 4.251 0 50 EIAA biogenic CCSc1nnc(SCCCOCc2ccccc2)s1 170594899 QUMCJLPRADVTER-UHFFFAOYSA-N 326.512 4.349 0 50 EIAA CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1cscn1 195060958 ZQYBLYXBMORKME-UHFFFAOYSA-N 329.252 4.041 0 50 EIAA CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1CCC[C@H](O)C1 218804936 FPFPXYQBMHBKJH-RYUDHWBXSA-N 337.872 4.064 0 50 EIAA C[C@@H](NC(=O)NCc1noc2c1CCCC2)c1cccc2ccccc12 287295487 WGEWSJMFPKKRIU-CQSZACIVSA-N 349.434 4.267 0 50 EIAA N=C(O)c1csc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1 328587941 KEOCIVUJQLMEEY-INIZCTEOSA-N 348.427 4.424 0 50 EIAA Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 329498839 FKPOFNQXPDRTNG-CZUORRHYSA-N 341.455 4.332 0 50 EIAA CO[C@@H]1CCCN(C(=O)c2ccc(-c3nccc4ccccc34)cc2)C1 426567136 SPNDHZWWZPYLMB-LJQANCHMSA-N 346.430 4.153 0 50 EIAA CC(C)(C)[C@H](Cn1ccnc1)NCc1ccc2cc(Cl)ccc2n1 952868343 LAPLRUFBNBUZOY-SFHVURJKSA-N 342.874 4.289 0 50 EIAA CC[C@@H](C)NC(=O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 952963508 ULEZVDJOFOPZJE-GFCCVEGCSA-N 343.427 4.268 0 50 EIAA COc1ccc(Oc2ccc(NC(=O)c3c(C)ncnc3C)cc2)cc1 952971894 RAHZNOLUMUXUES-UHFFFAOYSA-N 349.390 4.147 0 50 EIAA CO[C@H](C)c1ccc(-c2cc(C(C)=O)ccc2N2CCOCC2)cc1 1506399073 ACAZTQZTEVCNPV-MRXNPFEDSA-N 339.435 4.100 0 50 EIAA CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(S(=O)(=O)O)cc1 2299912205 KESPDISUXFUMBI-QZTJIDSGSA-N 334.437 4.326 0 50 EIAA Cc1cc(NC(=O)N2CCc3c(N)cccc3C2)ccc1C(F)(F)F 2325773016 JWUCOCVNCFDWRF-UHFFFAOYSA-N 349.356 4.186 0 50 EIAA CC1=NO[C@H](CC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C1 2325826762 LZBNSRSVWFIBBH-INIZCTEOSA-N 347.434 4.088 0 50 EIAA Fc1ccccc1N1CCN(c2nc(-c3ccccc3)cs2)CC1 106819 OWNDPKJGUDTIPW-UHFFFAOYSA-N 339.439 4.276 0 50 EIAA Cc1nc2ccccc2c2c1C[C@H]([C@](C)(Cl)Br)O2 436229 HIELOUZGQULWCY-OCCSQVGLSA-N 326.621 4.197 0 50 EIAA CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(OCC)c1 442702 VOUSMHXBOWFNLN-UHFFFAOYSA-N 347.436 4.138 0 50 EIAA O=C(COc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 449278 DFJNDMHVDSRILI-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 611927 ZUZZUDPJSVITLP-UHFFFAOYSA-N 332.400 4.120 0 50 EIAA CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Br 1060798 MMISKBSTOVACSM-AWEZNQCLSA-N 332.241 4.200 0 50 EIAA O=C(NCCOc1ccccc1Cl)c1cccc2ccccc12 2870279 BPQZSBZUZUIFHX-UHFFFAOYSA-N 325.795 4.302 0 50 EIAA CCOc1ccc(C(=O)C[C@H](C(=O)O)c2c[nH]c3ccccc23)cc1 3107787 UXQQZCARNHZPPL-INIZCTEOSA-N 337.375 4.008 0 50 EIAA CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C)CC3 5533908 JGEMVOKQRNOKBH-NSHDSACASA-N 342.489 4.294 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 7185493 WMRDZQKDNDURFY-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA CCN(C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12)C(C)C 63857172 PUSLTYHXFONDSE-UHFFFAOYSA-N 348.450 4.179 0 50 EIAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1(C)C 170636642 COKKROBPINNDRC-ZOBORPQBSA-N 335.410 4.017 0 50 EIAA CCO[C@H]1C[C@H](Nc2ccc3oc(C4CC4)nc3c2)C12CCOCC2 186455050 FYXMRTXCAAZQJT-ROUUACIJSA-N 342.439 4.091 0 50 EIAA COC[C@@H](C)Oc1ccc(Cl)cc1NCc1cnc(C)s1 189684241 KDNIVSVKVSZYFR-SNVBAGLBSA-N 326.849 4.131 0 50 EIAA COc1ccccc1-c1nc(Cn2ccc3ccccc3c2=O)cs1 193570169 ZHTMOIMPNRACCC-UHFFFAOYSA-N 348.427 4.182 0 50 EIAA Cc1ccccc1-c1ccc(C(=O)N2CCCCCC2)c(N(C)C)n1 200548402 AABHGUCXRUDGFM-UHFFFAOYSA-N 337.467 4.139 0 50 EIAA COC(=O)[C@H](c1ccccc1Cl)N1CCC[C@H]1c1ccsc1 247835651 MFSRWAFJAJFPNV-HOTGVXAUSA-N 335.856 4.453 0 50 EIAA COCCN1C(=O)CC[C@@H]1c1c(-c2ccccc2)n(C)c2ccccc12 334163427 ROIKAMVLDYUGIZ-LJQANCHMSA-N 348.446 4.155 0 50 EIAA Cc1cc(Cl)cc2c1OCCC[C@@H]2NCc1cnc2n1CCCC2 375266687 GPHRMJWMVCCIJV-KRWDZBQOSA-N 345.874 4.185 0 50 EIAA Cc1nc(Cc2nc(-c3cccc(-c4cscn4)c3)no2)cs1 390833359 GPFMIROFHNTCTD-UHFFFAOYSA-N 340.433 4.216 0 50 EIAA COc1ccc(-c2noc([C@@H](C)N3CCCC4(CCCC4)C3)n2)cc1 445837815 OVCYBOXROTYACW-OAHLLOKOSA-N 341.455 4.462 0 50 EIAA COc1ccccc1-c1ncc(CN(C)[C@@H](C)c2cccnc2)s1 952986448 YBLZBJIXIAZNFM-AWEZNQCLSA-N 339.464 4.407 0 50 EIAA O=C(Cc1ccccc1Cl)N[C@@H]1CCC[C@@H](CN2CCCCC2)C1 2100534433 IAOZVSWGAUBROW-SJLPKXTDSA-N 348.918 4.043 0 50 EIAA CCC(CC)n1nc(-c2ccncc2)nc1[C@H]1CCN2CCC[C@@H]2C1 2325849235 JFUYGZJKMWSMOF-FUHWJXTLSA-N 339.487 4.043 0 50 EIAA CCCCN(C(=O)[C@@H]1COc2ccc(Cl)cc21)c1cccnc1 2325850253 RGGWHORWTORBIO-MRXNPFEDSA-N 330.815 4.044 0 50 EIAA CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(Cc2cccnc2)n1 2332237378 GTPPSRBDVANXHW-UHFFFAOYSA-N 349.438 4.268 0 50 EIAA CC(C)c1ccc(-c2c3c(nc4ncnn24)-c2ccccc2C3=O)cc1 98800 PDZLSGLMGQSDCJ-UHFFFAOYSA-N 340.386 4.126 0 50 EIAA Cc1nc2ccccc2n1C[C@@H](O)COc1ccc([C@@H]2C=CCC2)cc1 253538 PHVULJJAKOZNEN-IEBWSBKVSA-N 348.446 4.218 0 50 EIAA COc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 278496 AQLIQOWLNIVJQK-UHFFFAOYSA-N 333.387 4.380 0 50 EIAA COc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1C 300271 OHXGJKBHBRGJMN-UHFFFAOYSA-N 329.252 4.413 0 50 EIAA Cc1ccc(SCc2nnc(NC(=O)c3cccs3)s2)cc1 618286 NDZNSRFFWWCCDA-UHFFFAOYSA-N 347.490 4.453 0 50 EIAA Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccccc2)CC1 2562093 ILWXJCHWTLCZAM-UHFFFAOYSA-N 345.899 4.167 0 50 EIAA CC(=O)Nc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 4867712 IRAQLBCZUYPXSY-UHFFFAOYSA-N 334.828 4.029 0 50 EIAA c1ccc(CN2CC[C@H](n3nc4ccccc4n3)c3ccccc32)cc1 5331655 LCTCEQKNYPLVQP-QFIPXVFZSA-N 340.430 4.431 0 50 EIAA CC[C@@H]1CN(C(=O)c2ccc(F)cc2)Cc2ccc(Cl)cc2O1 12160415 CHJHTWSYEIIMFB-MRXNPFEDSA-N 333.790 4.293 0 50 EIAA Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)cc1C 12194734 MWOIKTNQSBQPPZ-IBGZPJMESA-N 344.405 4.298 0 50 EIAA Cc1cnc(C)c(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)n1 23379786 IEMLZZWVHBJKPY-UHFFFAOYSA-N 341.418 4.067 0 50 EIAA Cc1ccc(CN2C[C@H](c3nc(-c4ccccc4)c(C)[nH]3)CC2=O)cc1 23428941 DUYOYRSZZDALJJ-LJQANCHMSA-N 345.446 4.210 0 50 EIAA O=C(O)c1ccccc1CN1CCCC[C@@H]1CCc1ccc(O)cc1 55119838 SNYSYTUGGRUQDD-GOSISDBHSA-N 339.435 4.078 0 50 EIAA CC[C@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CCN1C(C)C 72165235 NEVNKQZKEMJKRR-LBPRGKRZSA-N 331.287 4.004 0 50 EIAA Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3Cl)cc2)nn1 72437206 ZMRDLWURGIQCBF-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA CCc1cc(NCc2cccc(OC(F)F)c2)n2nc(C)c(C)c2n1 72462883 OZOHPTOGPFLHBD-UHFFFAOYSA-N 346.381 4.122 0 50 EIAA c1ccc2sc([C@H]3CCCN3Cc3cccc4nonc34)nc2c1 77320051 RIGZUVYMMRKONX-OAHLLOKOSA-N 336.420 4.170 0 50 EIAA COc1ccc(F)c(F)c1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77505689 IZXUNXCQYLCOBW-OAHLLOKOSA-N 349.352 4.480 0 50 EIAA CC[C@H](C)N(Cc1ccccc1F)C(=O)c1cc(C(F)(F)F)n[nH]1 97243684 DQMWKYWIRCISGK-JTQLQIEISA-N 343.324 4.009 0 50 EIAA CCc1nc(CSCc2cc(-c3ccc(Cl)cc3)no2)no1 123057812 WUAAMUZBZJVWFB-UHFFFAOYSA-N 335.816 4.374 0 50 EIAA Cc1c(C(=O)Nc2nccc3sccc23)cnn1C1CCCC1 129030388 SKXHEJNLOUNUMS-UHFFFAOYSA-N 326.425 4.169 0 50 EIAA Cc1nnc(CN[C@H](Cc2ccccc2Cl)c2ccccc2)o1 181601186 QVNYQNJIPZAXPM-QGZVFWFLSA-N 327.815 4.105 0 50 EIAA CSc1cccc(C)c1NC(=O)N1CCC[C@H](n2cc(C)cn2)C1 184941731 ACEABCCFDHHNKS-HNNXBMFYSA-N 344.484 4.091 0 50 EIAA C[Si](C)(C)CCOCn1ccc2cc(Br)cnc21 202784847 QEPDJKHFBYDQLU-UHFFFAOYSA-N 327.298 4.111 0 50 EIAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCC[C@H]1C(F)(F)F 225433754 XSGUNYGKISHMIP-QLFBSQMISA-N 347.421 4.353 0 50 EIAA CC(C)(C)[C@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 334161478 BFJJLKYIUNHFBD-MRXNPFEDSA-N 335.407 4.254 0 50 EIAA CCCN1C(=O)c2ccccc2[C@@H]1c1c(N(C)C)n(C)c2ccccc12 334163445 SIYHDPXATVHDRM-HXUWFJFHSA-N 347.462 4.200 0 50 EIAA C[C@@H]1CN(c2ccc(N[C@H](C)c3ccc(C(F)F)nc3)cc2)CCO1 850457885 PLKNEQSMSJVHLD-ZIAGYGMSSA-N 347.409 4.417 0 50 EIAA COc1ncccc1CNCC[C@@H](c1ccc(F)cc1)c1ccco1 952967103 HAAAXOFOMWLNTG-SFHVURJKSA-N 340.398 4.134 0 50 EIAA CCCCN(Cc1cccc(Cl)c1)C(=O)c1c(C)cc(C)nc1O 1506431412 ZLKIZIHWCJTPHG-UHFFFAOYSA-N 346.858 4.500 0 50 EIAA CC(C)C[N@@]1C[C@@H]1COc1ccc(-c2coc3ccccc3c2=O)cc1 1875384994 KRPGAJJTXUHBFM-HXOBKFHXSA-N 349.430 4.179 0 50 EIAA Cn1nc(C(F)(F)F)c(C=O)c1SCc1ccc(Cl)cc1 168548 VQFJCAGUPWZIKZ-UHFFFAOYSA-N 334.750 4.197 0 50 EIAA biogenic COc1ccc(NC(=O)c2cc3ccccc3cc2OC)c(OC)c1 309974 MHKAYCGARQJFBE-UHFFFAOYSA-N 337.375 4.118 0 50 EIAA Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 426487 DTCXRHJKKJDRFW-UHFFFAOYSA-N 349.825 4.389 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 450432 WIUHFQYMRLVZIC-VIFPVBQESA-N 326.179 4.105 0 50 EIAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(F)cc1 455912 HEWRQFUAKVLUQW-XCVCLJGOSA-N 334.803 4.006 0 50 EIAA CCOC(=O)N1CCC(N[C@H](C)c2cccc3ccccc23)CC1 757248 BNWRZOMRNJYPHD-OAHLLOKOSA-N 326.440 4.111 0 50 EIAA CCCOc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1OC 1817341 JHWGOXBHJAQYEN-HXUWFJFHSA-N 336.435 4.200 0 50 EIAA biogenic O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccco1 4805536 HPQFFRIOZASXDR-UHFFFAOYSA-N 328.437 4.456 0 50 EIAA COc1ccc(Oc2ccc3c(c2)c2c4n3CCN[C@@H]4CCC2)cc1 4817340 LTMIZKVXZVNXNW-LJQANCHMSA-N 334.419 4.423 0 50 EIAA O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccccn2)cs1 6790490 TWCJLHWEKZGKHD-UHFFFAOYSA-N 347.802 4.179 0 50 EIAA COc1ccccc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 8488249 NPUZIHKAPUOTJU-UHFFFAOYSA-N 340.810 4.028 0 50 EIAA CN(Cc1ccc(F)cc1)Cc1nc(Cc2ccccc2Cl)no1 11816373 NXBRNZLAXJZENY-UHFFFAOYSA-N 345.805 4.085 0 50 EIAA Cc1ccc(CN2CCC(CNC(=O)Nc3ccccc3)CC2)cc1 16622634 OPHJOKWSRWREDX-UHFFFAOYSA-N 337.467 4.029 0 50 EIAA Cc1cc(NC(=O)c2cc(C(C)C)no2)ccc1NC(=O)C(C)(C)C 55576189 PVZSJEYSDCALOV-UHFFFAOYSA-N 343.427 4.343 0 50 EIAA COc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2ccccc2)s1 91364883 MTLOHQJCXUUVFZ-INIZCTEOSA-N 344.480 4.088 0 50 EIAA CC(C)c1nc(CN2CCC(c3nc4ccccc4o3)CC2)co1 97547483 UHBWMHBRNOLDDW-UHFFFAOYSA-N 325.412 4.319 0 50 EIAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 100652206 UZFDRFFDCWYPFY-HZVDNRATSA-N 347.414 4.323 0 50 EIAA COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccccc1F 113698573 ISELQDXAOGXIAD-UHFFFAOYSA-N 328.265 4.497 0 50 EIAA Cc1ccnc(NCc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 121517543 HOYOPZFLFVLUPL-UHFFFAOYSA-N 328.366 4.083 0 50 EIAA c1cc(-c2nnc(SC3CCOCC3)n2C2CCCCC2)ccn1 128877098 ABXARUKCAORPSO-UHFFFAOYSA-N 344.484 4.116 0 50 EIAA Cc1ccc(-c2c(C)n(O)c(C)c(-c3ccc(F)cc3)[n+]2=O)cc1 136930069 KNGQVYNPDQRFJL-UHFFFAOYSA-N 325.363 4.038 0 50 EIAA Cc1ncsc1CCN[C@H](c1cccc(Cl)c1)c1ccccn1 179070128 PKCHRUQDEUKPNS-GOSISDBHSA-N 343.883 4.422 0 50 EIAA Cc1c(NC(=O)c2ccc(C(C)C)s2)cccc1N1CCOC1=O 186084521 LHKXANKSPZKYJV-UHFFFAOYSA-N 344.436 4.389 0 50 EIAA CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2nc3ccccc3s2)C1 221902249 NVFGKXYPOQYVPS-OTSWZTIHSA-N 336.526 4.027 0 50 EIAA O=C(c1ccc(CO)cc1)N1CCCCC[C@@H]1c1cccc(F)c1 223572698 RGJVBBOASDLYAN-LJQANCHMSA-N 327.399 4.076 0 50 EIAA C[C@@H]1C[C@H](NCC(C)(C)C2(O)CCOCC2)C[C@@H](c2ccccc2)C1 417381910 NCYSIYOSSVQXAC-IHPCNDPISA-N 345.527 4.116 0 50 EIAA CC1(C)CCC[C@H](OC(=O)c2cccc(Oc3nccs3)c2)C1=O 840230143 FMSFQZGWCXRVHO-AWEZNQCLSA-N 345.420 4.240 0 50 EIAA O=C(O)c1ccc(COc2ccccc2CN2CCCCCC2)cc1 902047472 GSSJQKBILZAKKE-UHFFFAOYSA-N 339.435 4.340 0 50 EIAA Cc1ccc([C@H](NCc2nc(C(C)C)ns2)c2ccccn2)cc1 930279593 NLLOLSACRPANGW-SFHVURJKSA-N 338.480 4.244 0 50 EIAA COc1ccc(CN2C[C@H]3C[C@@]3(C)C2)cc1OCc1ccccc1F 1772814482 BQYGVLSVQRUCAG-UTKZUKDTSA-N 341.426 4.255 0 50 EIAA CN(C)[C@@H]1CCC[C@H]1n1ccnc1-c1ccc2cccc(Cl)c2n1 1857707715 YVUAOSWMIIBWCS-IAGOWNOFSA-N 340.858 4.407 0 50 EIAA CC(C)N(C(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 80860 TZNFKMCZZGZZSM-UHFFFAOYSA-N 325.437 4.097 0 50 EIAA Cc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C 92088 QGMRPTYHBNYZHX-UHFFFAOYSA-N 347.340 4.311 0 50 EIAA CCOc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 127346 LZJWJODISJLFFH-UHFFFAOYSA-N 342.398 4.451 0 50 EIAA CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1Cl 130193 WLAKMIIMUOJSRD-UHFFFAOYSA-N 330.815 4.074 0 50 EIAA O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1cccs1 310925 CFYHJEWESVWKSP-UHFFFAOYSA-N 337.400 4.043 0 50 EIAA Nc1c(Br)cc2c(c1Br)Cc1ccccc1-2 394862 LHRWVIZWZMXYPI-UHFFFAOYSA-N 339.030 4.365 0 50 EIAA CCCCc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 2228292 JTYCYMIEOUDDSQ-UHFFFAOYSA-N 333.229 4.439 0 50 EIAA Cc1ccccc1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1 2532428 YFBFCXHYATWCIU-UHFFFAOYSA-N 326.465 4.419 0 50 EIAA C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4097376 LKAJKIOFIWVMDJ-IYRCEVNGSA-N 328.500 4.118 0 50 EIAA endogenous,world Cc1c(CCC(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5235538 RSZGOILSNWBLCB-UHFFFAOYSA-N 328.364 4.162 0 50 EIAA CCc1ccccc1NC(=O)N1CCC[C@@H]1c1c(C)noc1CC 33270637 KLTDGZOKFZVNRV-MRXNPFEDSA-N 327.428 4.477 0 50 EIAA CN(C)P1Oc2cccc3c2C2(CC3)CCc3cccc(c32)O1 43277607 RIDZEECIONITMW-UHFFFAOYSA-N 325.348 4.425 0 50 EIAA Cc1ccc(-c2c(-c3ccccc3)ncn2[C@@H]2CN3CCC2CC3)o1 65370637 WSOQWXNXXCVECJ-GOSISDBHSA-N 333.435 4.385 0 50 EIAA CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2ccc(Cl)cc2)C1 65373070 NOSVYIFDHRPAFF-AABGKKOBSA-N 343.854 4.308 0 50 EIAA COc1ccc(-c2ccc(-c3nc(C(C)C)no3)cn2)c2cccnc12 72150822 UNCIMABZRYSZPQ-UHFFFAOYSA-N 346.390 4.479 0 50 EIAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 77300682 ZZHGZBRIEAETFY-KRWDZBQOSA-N 341.838 4.004 0 50 EIAA CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(=O)[nH]1 77440746 GQTMKFGSTJCBMS-SFHVURJKSA-N 342.414 4.005 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@H]3c3ccccn3)[nH]c12 91892840 HGPMVYHXLUHUOM-QGZVFWFLSA-N 333.435 4.465 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 101896797 MSGJBXBPJDFSGP-XOUADPBQSA-N 349.352 4.187 0 50 EIAA CCC[C@H](NC(=O)N1CCC[C@H]1CO)c1ccc(Cl)c(Cl)c1 118573173 RPYRPFRXPHYLFM-WFASDCNBSA-N 345.270 4.001 0 50 EIAA CC(=O)Nc1cccc([C@H](C)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 191860394 KDFMCXUBKDVLCS-ZRCAFCQKSA-N 338.451 4.073 0 50 EIAA Fc1ccccc1N1CCN(Cc2ccc([C@@H]3CCCO3)s2)CC1 215412515 QOEOVFIEGBCHIX-SFHVURJKSA-N 346.471 4.061 0 50 EIAA CC(C)[C@@H](C(=O)NC[C@@H](C)Sc1ccccc1)c1ccncc1 225749325 CNHFHXXIQKDOJJ-CRAIPNDOSA-N 328.481 4.118 0 50 EIAA C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc2ccccc12 247622879 UAXNCBTXCBJXSP-PSAKCFHXSA-N 338.451 4.158 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(-c2ccc(F)cc2)o1 263498815 KHHRUFCKGUPURP-WBAXXEDZSA-N 343.398 4.303 0 50 EIAA O=C(c1csc2ccccc12)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 452952848 DTRKYLYGBVBCSS-SJORKVTESA-N 341.476 4.323 0 50 EIAA CC1(C)C[C@@]1(CNC(=O)c1ccc(-c2cnco2)cc1)c1ccccc1 670441972 RUQYZXKYWWAXJE-JOCHJYFZSA-N 346.430 4.439 0 50 EIAA O=C(N[C@@H]1CCC[C@@H]2C[C@H]21)c1cc(-c2cccnc2)nc2ccccc12 843717340 NVFVPTUZPRSOOW-WIBUTAKZSA-N 343.430 4.215 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(CCOc1ccccc1C(C)C)C2 1704297701 VIROJYHWEHAZHP-NHCUHLMSSA-N 331.500 4.470 0 50 EIAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2ncccn2)CC1 2325895273 QFQCPXVQPRQQNJ-SHTZXODSSA-N 341.480 4.077 0 50 EIAA O=C(CSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 51824 DLXJERLLAURAAJ-UHFFFAOYSA-N 326.248 4.402 0 50 EIAA Cc1ccc(NC(=O)COc2cccc(C)c2C)c(Br)c1 122286 LLYDPAVINSJRQY-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CCc1cc2c(=O)c(Oc3ccccc3)c(C)oc2cc1C(=O)OC 407430 RQTVHVWORSVNMM-UHFFFAOYSA-N 338.359 4.243 0 50 EIAA CC(=O)N(C)c1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 610201 WOCVXRFJFPZWAM-UHFFFAOYSA-N 347.871 4.440 0 50 EIAA CCOc1ccccc1-c1nc2ccc(Br)cc2c(=O)o1 1064558 ZDDNIOQKENOXGP-UHFFFAOYSA-N 346.180 4.016 0 50 EIAA COc1cc(NC(=O)CCCOc2ccccc2)c(OC)cc1Cl 1779462 QHKOCSQJAZNTAH-UHFFFAOYSA-N 349.814 4.155 0 50 EIAA COc1ccc(OC)c(-c2cc(C(=O)O)c3cccc(Cl)c3n2)c1 2526075 MLGPTQXMWWXLTH-UHFFFAOYSA-N 343.766 4.271 0 50 EIAA CCOc1ccc(OCc2ccc(C(=O)Oc3ccccc3)o2)cc1 2750969 JGWWRLUEQAUIEL-UHFFFAOYSA-N 338.359 4.477 0 50 EIAA COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2)c2ccccc2)cc1 2751237 CGOOKUDEQSWKAU-NRFANRHFSA-N 346.382 4.476 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(O)cc2)on1 3907786 UWJJQJKYLTYOLE-UHFFFAOYSA-N 348.280 4.318 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1N1CCCCC1 4755752 XCNBYHOAAZGGTI-UHFFFAOYSA-N 343.858 4.473 0 50 EIAA O=C1CCCC[C@@]1(C/C=C/c1ccccc1)n1nc2ccccc2n1 6594545 IQEYIOLAVACVOR-MAIVGLDJSA-N 331.419 4.373 0 50 EIAA CSc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 6763525 CLEXMFYPGWFGTK-JTQLQIEISA-N 349.839 4.282 0 50 EIAA Cc1cnnn1-c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 9764011 MXEXDDOFLUGCAE-UHFFFAOYSA-N 347.205 4.135 0 50 EIAA C[C@H](NCc1ccc(OCc2ccccc2)cc1)[C@H](O)c1ccccc1 20312644 BYJGOCWNKCACRL-MBSDFSHPSA-N 347.458 4.477 0 50 EIAA CC[C@H](C)n1nc(C)c2[nH]c(-c3ccc(OC)c(C)c3OC)nc21 20449445 KFXYZROWGNCXPU-JTQLQIEISA-N 328.416 4.031 0 50 EIAA Cc1ccc(CN(CCN(C)C)Cc2nc(C(C)C)cs2)s1 55358413 YPQYJISTRKNLNV-UHFFFAOYSA-N 337.558 4.200 0 50 EIAA C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1[C@H]1CCN(C)C1=O 65409408 KQAXZPSHKNITIY-DUVHGLKDSA-N 347.418 4.107 0 50 EIAA CC(C)NC(=O)c1cc(N[C@@H](CC(C)(C)C)c2cccnc2)ccn1 72156395 NTXHRUBECQZWLM-SFHVURJKSA-N 340.471 4.204 0 50 EIAA Cc1cccc(N2C[C@H](C)N(Cc3c(F)cccc3Cl)CC2=O)c1 82087727 MCJZNSUKNWTNPG-AWEZNQCLSA-N 346.833 4.025 0 50 EIAA Cn1cnc2cc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)ccc21 129128559 SUHCITPJFACPAY-UHFFFAOYSA-N 349.409 4.185 0 50 EIAA O=C(N[C@H]1CCOC2(CCCC2)C1)N[C@H]1CCSc2ccccc21 132984991 NGFSGFVIHZBPBS-HOCLYGCPSA-N 346.496 4.015 0 50 EIAA C[C@H](c1nc(C(C)(C)C)no1)N1CCc2[nH]c3ccc(F)cc3c2C1 171621267 BIIYIRKLLMWVCR-LLVKDONJSA-N 342.418 4.107 0 50 EIAA CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)n1 219869171 OMVFUQJDKJZAJY-ZDUSSCGKSA-N 344.440 4.103 0 50 EIAA C[C@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)C1CCCC1 253429562 NRSUBNLZIYBFNZ-QGZVFWFLSA-N 347.466 4.168 0 50 EIAA CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1nc(C)sc1C 353552965 ABOGEGXZIVDQQA-ZHALLVOQSA-N 330.497 4.201 0 50 EIAA COc1ccc(NC(=O)N(C)Cc2csc(C(C)C)n2)c(F)c1 426410497 KQKQBBFPXGUNGE-UHFFFAOYSA-N 337.420 4.078 0 50 EIAA C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)c2cncs2)C1 822416777 MCZUBHAJOYZUIM-LLVKDONJSA-N 335.860 4.285 0 50 EIAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc2c1CCC2=O 825205158 JNFAZKORPMLYKX-SFHVURJKSA-N 349.430 4.156 0 50 EIAA COC(=O)c1cc(-c2cccs2)n([C@H]2CCOC3(CCCC3)C2)n1 871963458 IGOCPEZCRJUCJW-ZDUSSCGKSA-N 346.452 4.063 0 50 EIAA Cc1cc(NC(=O)c2ccc3sc(C)nc3c2)n([C@@H](C)C2CC2)n1 1529144266 VICJXZROFFYPEB-NSHDSACASA-N 340.452 4.333 0 50 EIAA COc1cccc(-c2nc3ccccc3c(=NC3CC(C)(F)C3)[nH]2)c1 1875307209 XLXHAGUTSUXLEV-UHFFFAOYSA-N 337.398 4.030 0 50 EIAA CC(C)N(C(=O)c1ccccc1[Si](C)(C)[Si](C)(C)C)C(C)C 2332241376 QWKHFWYNZNYPSQ-UHFFFAOYSA-N 335.640 4.278 0 50 EIAA CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 35608 AGRYOYJCVQAOGA-LLVKDONJSA-N 347.436 4.283 0 50 EIAA Cc1cc(NC(=S)NC2CCCCC2)ccc1Br 110345 AWRPXTSAWIUVMQ-UHFFFAOYSA-N 327.291 4.377 0 50 EIAA Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)cc2)c1C 144580 NGMGBHWSVVOKLD-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)o1 433680 KFLKCCLSDIKUML-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c(C)c1 453667 ZCAUUNCMWIIENO-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA COc1cccc(-n2cnc3scc(-c4ccccc4)c3c2=O)c1 516874 XDERZRSFWFMGJW-UHFFFAOYSA-N 334.400 4.123 0 50 EIAA C[C@H](CN1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1 550705 IZESOZHYTXOOBW-GOSISDBHSA-N 337.463 4.236 0 50 EIAA COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 859762 NLSRBLJZGTYLJE-CQSZACIVSA-N 343.448 4.042 0 50 EIAA CCCCN(C(=O)c1cc(C)cc(C)c1)C1C[C@@H]2CC[C@H](C1)N2C 2024842 JUCATHYIAFFXBH-YOFSQIOKSA-N 328.500 4.171 0 50 EIAA O=C(CSc1ccccc1)NCCSc1ccc(Cl)cc1 2985443 MYAPBCTXVZTWDQ-UHFFFAOYSA-N 337.897 4.341 0 50 EIAA C[C@H](O)CNCc1cc2ccc(Cl)cc2nc1-c1ccsc1 12242990 YZOUMUNKMFINNK-NSHDSACASA-N 332.856 4.087 0 50 EIAA COc1ccc(CN2CCC[C@H](c3[nH]ncc3CC(C)C)C2)cc1C 12246343 LEMKJYBDROFACD-SFHVURJKSA-N 341.499 4.305 0 50 EIAA OC[C@@]1(CCc2ccccc2)CCCN(Cc2cc3ccccc3[nH]2)C1 12439939 JUKABHRZULNBNQ-HSZRJFAPSA-N 348.490 4.375 0 50 EIAA Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 13475083 QNAZTOHXCZPOSA-UHFFFAOYSA-N 328.408 4.187 0 50 EIAA biogenic,investigational CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 16383345 DBUDKEAFTCJSCZ-UHFFFAOYSA-N 345.830 4.362 0 50 EIAA CCC1=NO[C@H](Cn2ccc(-c3cccc(-c4cccc(C)n4)c3)n2)C1 20472567 RRQTUUZZNVYFLY-IBGZPJMESA-N 346.434 4.475 0 50 EIAA CC1(C)[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@]1(C)C(=O)O 22779924 ILDYKPGXKROROM-HWPZZCPQSA-N 344.238 4.459 0 50 EIAA OCCCn1cnc(-c2ccccc2)c1-c1ccnc2ccccc12 65375782 FLSXBEIAERPTCW-UHFFFAOYSA-N 329.403 4.148 0 50 EIAA COCc1nn2c(-c3ccco3)ccnc2c1-c1ccc(Cl)cc1 67630573 LZOIIDKCJXGFNP-UHFFFAOYSA-N 339.782 4.456 0 50 EIAA COc1ccc([C@H](NCc2nc(C)cs2)c2ccc(F)cc2)cc1 117384116 XSFKDUNHNCZJSM-LJQANCHMSA-N 342.439 4.478 0 50 EIAA COc1cc([C@@H](C)NCCN2CCCCC2)ccc1SC(F)F 128276680 LFIHOMMHUZROBY-CYBMUJFWSA-N 344.471 4.146 0 50 EIAA CN(CCC1CCOCC1)C(=O)c1cccc(-c2ccc(F)cc2)c1 223277743 CGGOYBWKZCLEJD-UHFFFAOYSA-N 341.426 4.381 0 50 EIAA C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1coc(C2CCCCC2)n1 328711282 BCYPSQIRDDRPCI-CQSZACIVSA-N 342.439 4.131 0 50 EIAA O=C(C1CCC2(CC1)CC2)N1CCC(Oc2ccc(F)cc2)CC1 668810265 ZXCPRJNBWJIYED-UHFFFAOYSA-N 331.431 4.166 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)N3CCCC3(C)C)[C@@H]2C)cc1F 1875358215 NGWMWJHUYRPJQX-UKRRQHHQSA-N 334.435 4.007 0 50 EIAA COc1ccccc1CNC(=O)CCSc1ccc(Cl)cc1 381678 BUARJFNKMZTYNL-UHFFFAOYSA-N 335.856 4.147 0 50 EIAA O=C(Nc1ccc(C(=O)O)cc1)Nc1cccc(Cl)c1Cl 397448 NAYPZJCZFQLJIL-UHFFFAOYSA-N 325.151 4.336 0 50 EIAA C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 450916 SXEKPDRDRXKZLC-AWEZNQCLSA-N 339.435 4.246 0 50 EIAA Fc1cccc(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 572911 CSJCCQFXNBTWJH-OAHLLOKOSA-N 338.386 4.103 0 50 EIAA Cc1cc(Br)ccc1NC(=O)CSc1ccccc1 577905 WXRDLTPJNNJBQM-UHFFFAOYSA-N 336.254 4.488 0 50 EIAA O=C(Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)c1ccccc1 1978164 DMUCSNPSVOVJMD-UHFFFAOYSA-N 332.311 4.272 0 50 EIAA O=C(CSc1ccc(Br)cc1)Nc1ccccc1F 2838705 TUPOSZLYQQQWIG-UHFFFAOYSA-N 340.217 4.319 0 50 EIAA Cc1cc2ncn(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2cc1C 3905910 HNCQNBPYTXICMT-UHFFFAOYSA-N 342.464 4.188 0 50 EIAA O=C(NC1CCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 4852179 RSWRUSMWCJPGHA-UHFFFAOYSA-N 333.391 4.076 0 50 EIAA CCCC[C@H](CC)C(=O)NC[C@H](C)NC(=O)[C@@H](CC)CCCC 4894206 NQBVGWKSYOLZMJ-ULQDDVLXSA-N 326.525 4.040 0 50 EIAA COc1ccc(CN(C(=O)c2ccc(C)cc2)c2cccc(N)c2)cc1 5798801 VMSSSILCYRIIKX-UHFFFAOYSA-N 346.430 4.433 0 50 EIAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)s1 12465959 GKDZPIIXQCOSBN-KRWDZBQOSA-N 341.476 4.436 0 50 EIAA Clc1ccc(-c2nnc3sc(/C=C/c4cccnc4)nn23)cc1 15083093 LXJIZLQKTVQLNJ-FPYGCLRLSA-N 339.811 4.072 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)[C@H](CC)n2cccc2)cc1Cl 55269584 JJRQKIIFSXDFAV-HNNXBMFYSA-N 333.819 4.080 0 50 EIAA CCCCN(C(=O)OC(C)(C)C)c1ccc(Br)cn1 74934326 JFYHNENQXVHJSF-UHFFFAOYSA-N 329.238 4.386 0 50 EIAA in-vitro Cc1c(C(=O)Nc2ccccc2F)n[nH]c1-c1ccc(Cl)cc1 132414781 LUIPOGDDBISVMA-UHFFFAOYSA-N 329.762 4.430 0 50 EIAA CC(C)c1nc(/C=C/c2cnc(C(C)(C)C)s2)ncc1C(=O)O 169992396 MCNNEPQWKHADIR-VOTSOKGWSA-N 331.441 4.223 0 50 EIAA C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OCc1ccc(Cl)cc1 170604750 PCHMLULVPWRESZ-UONOGXRCSA-N 329.827 4.223 0 50 EIAA CCn1nc(C)c(NC(=O)c2oc3c(Cl)cccc3c2C)c1C 172817365 GYDHKLKQKDJLHM-UHFFFAOYSA-N 331.803 4.480 0 50 EIAA c1cnn(CCC2CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)c1 215625392 DGBPKTLXPJHIAB-GOSISDBHSA-N 345.512 4.098 0 50 EIAA Cc1cc(=O)c(C(=O)N2CCC[C@@H](C)c3ccccc32)cn1C1CC1 283375096 JSTMJZRCDNUEGM-CQSZACIVSA-N 336.435 4.036 0 50 EIAA Cc1cccc(-c2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)n1 299793033 HZAQPGZQAWVOLV-UHOSZYNNSA-N 346.434 4.133 0 50 EIAA CCCc1ncncc1C(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1 299797201 PEKNCBAIAYTPON-HNNXBMFYSA-N 343.858 4.102 0 50 EIAA CC(C)c1ccc(-c2ccc(C(=O)N(C)Cc3nccn3C)cc2)cc1 426407688 RPSVGCJZQAAPIC-UHFFFAOYSA-N 347.462 4.483 0 50 EIAA Clc1ccc2nc(-c3nccn3C[C@H]3CCCOC3)ccc2c1 1857706588 MNPLMJJHUXHMKN-CYBMUJFWSA-N 327.815 4.178 0 50 EIAA Cc1cc(C(=O)N(C2CC2)C2CC(c3ccccc3C)C2)ccc1N 1875264124 BCFDNRQPDJNTID-UHFFFAOYSA-N 334.463 4.436 0 50 EIAA O=C(NCc1nc(Cl)cs1)Nc1ccc([C@H]2CC2(F)F)cc1 2325799315 LTQLZVPLMDUGSC-SNVBAGLBSA-N 343.786 4.241 0 50 EIAA COC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 409029 UKBOZPMNFQPXGU-UHFFFAOYSA-N 339.178 4.424 0 50 EIAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 452161 QNOJCRJFQUCFTF-GFCCVEGCSA-N 330.428 4.466 0 50 EIAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C1CCCCC1 1057049 ROWVRPIYRRNYFJ-UHFFFAOYSA-N 327.428 4.054 0 50 EIAA CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)cc1 1150167 DMVSXOXLYSQGPG-SDNWHVSQSA-N 348.490 4.346 0 50 EIAA C[C@H]1CCCCN1CCCNC(=O)Nc1c(Cl)cccc1Cl 2171834 OAAGFPCQIUVWSN-LBPRGKRZSA-N 344.286 4.379 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1OC 2818579 IFEMQMIMMSOYIZ-UHFFFAOYSA-N 344.386 4.215 0 50 EIAA COc1cccc(CNCc2cccc(C(F)(F)F)c2)c1OC 4997077 JZMAWYSOCHOABF-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 5073651 BBJFXYAQZMJWIG-QFBILLFUSA-N 327.468 4.075 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)s1 11773713 JRCVERAIOAOWCK-GFCCVEGCSA-N 349.402 4.070 0 50 EIAA CCCN1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 12199438 HOHWMPCMYYABCF-HXUWFJFHSA-N 338.451 4.175 0 50 EIAA CC[C@H](C)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 12864760 VIWMHGXDQLBZBT-HNNXBMFYSA-N 344.499 4.423 0 50 EIAA CN(Cc1ccsc1)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 14969339 BEGNAAVRACAHSA-GOSISDBHSA-N 334.529 4.141 0 50 EIAA Cn1c(CCc2ccccc2)nnc1SCc1ccccc1F 17067064 YGKZFLWRSLJSHR-UHFFFAOYSA-N 327.428 4.032 0 50 EIAA CCc1ccccc1NC(=O)N1CCN(c2ccccc2Cl)CC1 17071786 HSEPYCJHOFZOCM-UHFFFAOYSA-N 343.858 4.257 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2F)cc1OC 36620623 XYFCGNQLIRRCRA-MRXNPFEDSA-N 344.386 4.212 0 50 EIAA Cc1cc(F)ccc1C(=O)N(Cc1ccsc1)C[C@H]1CCCO1 55568912 AOMMIMVIDQUDTE-MRXNPFEDSA-N 333.428 4.017 0 50 EIAA Cc1nc([C@H](C)n2ccnc2C(C)C)n(-c2cccc3cccnc23)n1 63834260 GXOPDLIEXPTBOU-AWEZNQCLSA-N 346.438 4.053 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)c1[nH]c2c(C)ccc(C)c2c1C 91625758 AONKZOSZTBHWPH-INIZCTEOSA-N 328.456 4.124 0 50 EIAA CCc1cc([C@H](C)n2cc(-c3ccccc3-c3ccco3)nn2)on1 91643250 NOBCMNQFKYLWDW-ZDUSSCGKSA-N 334.379 4.365 0 50 EIAA Cc1cccnc1[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C 170628798 YVVSNTFLDLMVRX-QQABJKMWSA-N 341.499 4.355 0 50 EIAA COCc1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)s2)o1 193881363 BHVAAWQHAANRCW-CYBMUJFWSA-N 339.844 4.047 0 50 EIAA C[C@@H]1CN(Cc2cc(-c3cccs3)on2)C[C@@H](c2ccccc2)O1 229775803 LEVAYHYETPBUAI-KDOFPFPSSA-N 340.448 4.365 0 50 EIAA CC[C@H](NC(=O)c1cccc2c1O[C@@H](C)[C@H]2C)c1ccc(OC)cc1 248251161 PLQXICAWNYECQA-TYILLQQXSA-N 339.435 4.461 0 50 EIAA COCc1ccc(CNc2ccc(C(=O)Nc3ccccc3)cc2)o1 252489054 JECDOKDJJZKRHK-UHFFFAOYSA-N 336.391 4.290 0 50 EIAA C=Cc1ccc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1 253416239 GMWLNRHUQSUNPM-UHFFFAOYSA-N 334.419 4.126 0 50 EIAA CN(Cc1ccc2cn[nH]c2c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273510729 QXAKRJUXUJCLIM-ICSRJNTNSA-N 339.414 4.054 0 50 EIAA Cc1cc(NCc2cc(-c3cnn(C)c3C)no2)c(Cl)cc1F 285246908 WJHAGLVAZSVVFB-UHFFFAOYSA-N 334.782 4.097 0 50 EIAA CCc1ccccc1-c1noc(Cc2csc([C@H](C)OC)n2)n1 328593818 NHYFCSKOHFUNJZ-NSHDSACASA-N 329.425 4.054 0 50 EIAA Cc1nc([C@@H]2CCCN(Cc3cccc(-c4ccccc4)c3)C2)n[nH]1 355173125 JADOKJXIZHFFKH-HXUWFJFHSA-N 332.451 4.160 0 50 EIAA Cc1ncsc1CCNC(=O)N1CCCC[C@@H]1c1cccc(F)c1 426510461 VMFZRWBCIMUQOK-MRXNPFEDSA-N 347.459 4.070 0 50 EIAA CC(C)c1ccc(-c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)cc1 1239626032 RFFHCXRDODVDHS-UHFFFAOYSA-N 343.370 4.143 0 50 EIAA Cc1ccc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)c(F)c1F 1458148740 RIFCOQKPRLEYEE-ZDUSSCGKSA-N 331.240 4.129 0 50 EIAA CN(C)c1ccc(CNc2ccc(-c3cn4ccccc4n3)cc2)cn1 1875255775 GBNMFFCCMPMPOJ-UHFFFAOYSA-N 343.434 4.074 0 50 EIAA O=C(OCCc1cccc(Cl)c1Cl)c1ccc2cncn2c1 2325855371 VCELKLSPCMSSIR-UHFFFAOYSA-N 335.190 4.041 0 50 EIAA Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 451899 BDHODAABNLQWFB-SNVBAGLBSA-N 325.195 4.103 0 50 EIAA COc1ccc([C@@H](NC(=O)c2cccc(F)c2)c2ccccc2)cc1 468564 KPQJDFNOCVRQKH-FQEVSTJZSA-N 335.378 4.354 0 50 EIAA O=C(CSc1ccccn1)NC(c1ccccc1)c1ccccc1 468611 YZIMKZZUGFXRQS-UHFFFAOYSA-N 334.444 4.080 0 50 EIAA COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 546800 JHQMHGWUDYGACW-UHFFFAOYSA-N 342.395 4.134 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)cc1 1513801 CFZNVWNPKMDGHT-UHFFFAOYSA-N 337.242 4.037 0 50 EIAA COc1ccc([C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 5028115 BESJGHIAONTJHR-BUBBNXEVSA-N 343.467 4.097 0 50 EIAA Fc1ccc(CSCc2nnc(S)n2-c2cccc(F)c2)cc1 6402329 HEYLKTIPKTUTPB-UHFFFAOYSA-N 349.431 4.268 0 50 EIAA COc1ccc(-c2csc(CNC(=O)c3ccccc3)n2)cc1C 6658315 DHWIUSCYWBYVCW-UHFFFAOYSA-N 338.432 4.057 0 50 EIAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 6668226 IAOHTVXMLUTPEE-GJZGRUSLSA-N 341.407 4.141 0 50 EIAA Cc1cc(CN(C)C(=O)C[C@H](c2ccccc2)c2ccccc2C)n[nH]1 11819052 MBCKQSGEVUIFHA-OAQYLSRUSA-N 347.462 4.207 0 50 EIAA Cc1cc(N(C)C)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1 13628328 KBPLFMJFBQUHDH-UHFFFAOYSA-N 335.238 4.386 0 50 EIAA CCOc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)OC3)cc1 17888506 IEJNSGVYJIOYRR-SFHVURJKSA-N 339.416 4.155 0 50 EIAA Clc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1 19156866 SOPFZSFWVNVFTB-UHFFFAOYSA-N 328.887 4.090 0 50 EIAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)NCC2 20506847 WEKALSXFBRPZOT-IBGZPJMESA-N 331.843 4.373 0 50 EIAA CC(C)[C@H](C)NC1CCN(c2ccc(-c3cscn3)cc2)CC1 48155939 VCMHLIJQDWMGHD-HNNXBMFYSA-N 329.513 4.413 0 50 EIAA CC(C)(C)Cc1c(-c2ccccc2)ncn1C[C@H](O)c1cccnc1 65373714 DJGHQQCRKUJOME-IBGZPJMESA-N 335.451 4.267 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N(C)[C@H](C)c3cncs3)[nH]c12 91382302 PWSJUZCNZSITTP-CYBMUJFWSA-N 327.453 4.383 0 50 EIAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 100626807 XVOWXCZBOOULSU-LSOMNZGLSA-N 333.387 4.014 0 50 EIAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100800554 KMLOBSGHLLHBMB-UWVGGRQHSA-N 331.721 4.038 0 50 EIAA CSc1cccc(N(C(=O)c2occc2C)C2CCN(C)CC2)c1 112248010 RUHMGZCQCBEJNF-UHFFFAOYSA-N 344.480 4.051 0 50 EIAA Cc1cc(F)ccc1-c1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)o1 151495495 QLGFENMQWDVSSR-QPJJXVBHSA-N 347.349 4.196 0 50 EIAA O=C(CCc1cc(Cl)cs1)Nc1ncn(C2CCCCC2)n1 182691911 GENWZNUOOAISCH-UHFFFAOYSA-N 338.864 4.070 0 50 EIAA COc1ccc([C@H]2CCN(C(=O)Nc3c(C)cccc3F)C2)cc1 184476794 QCENWJQXSGUPET-HNNXBMFYSA-N 328.387 4.164 0 50 EIAA CC[C@@H](C)Oc1cc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)ccn1 186310238 BZQFGNJQXVEMQC-ZIAGYGMSSA-N 340.423 4.119 0 50 EIAA CCc1cccc(OC2CN(C(=O)c3cc4cccc(C)c4o3)C2)c1 214973038 JELXYUZTDQMHNW-UHFFFAOYSA-N 335.403 4.207 0 50 EIAA CC(C)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)n1C 215997331 VSSNIIRQJFNWCD-UHFFFAOYSA-N 347.462 4.386 0 50 EIAA Oc1cccc(C2CCN(Cc3cncn3Cc3ccccc3)CC2)c1 244626601 FOUXVAIAKRFXMC-UHFFFAOYSA-N 347.462 4.017 0 50 EIAA COc1ccc(CNc2ncc(C)c(C)n2)c(OC2CCCC2)c1 301861287 CHEXVMAAQDPTKA-UHFFFAOYSA-N 327.428 4.036 0 50 EIAA Cc1cc(Cl)c2ccccc2c1NC(=O)N1CC[C@](C)(C(=O)O)C1 417793384 OWSDNUHCWBIHHR-SFHVURJKSA-N 346.814 4.130 0 50 EIAA Cc1ccc2snc(C(=O)N[C@H](C)CCc3ccc(O)cc3)c2c1 480541627 PMRYOYFUXPYKET-CYBMUJFWSA-N 340.448 4.061 0 50 EIAA CC(C)N(C(=O)c1ccccc1-c1cccc(CC(=O)O)c1)C(C)C 534585043 NWHVEAVNWLCPTH-UHFFFAOYSA-N 339.435 4.240 0 50 EIAA CC(F)(F)c1ccccc1NC(=O)NC[C@H]1CCC2(CCCC2)O1 654105775 VDJUEBXXYSJNSP-CYBMUJFWSA-N 338.398 4.412 0 50 EIAA COCc1nc(-c2nnc(-c3cc4c(s3)CCCCC4)o2)cs1 1322857940 PRAWVEYTJHCUQF-UHFFFAOYSA-N 347.465 4.337 0 50 EIAA CC(C)(CCO)Nc1ccc(Br)c(C(F)(F)F)c1 1501020856 RGHFMUBEOXYTJH-UHFFFAOYSA-N 326.156 4.041 0 50 EIAA CC1(C)C=Cc2cccc(NC(=O)C(F)(F)c3cncs3)c2O1 2325769922 RQGCJZWYWCUQGG-UHFFFAOYSA-N 336.363 4.058 0 50 EIAA CC[C@H](C)n1ncc(Nc2ncnc3[nH]c(C(F)F)nc23)c1C1CC1 2325873946 ZRSAOUMFZROSHF-QMMMGPOBSA-N 347.373 4.079 0 50 EIAA CCOC(=O)c1ccc(NC(=S)NCc2ccccc2Cl)cc1 56306 BDQLCRGNQWBCSU-UHFFFAOYSA-N 348.855 4.003 0 50 EIAA CC1=C(OC(=O)c2ccccc2)C(C)(C)[C@@H](c2ccccc2)OC1=O 87358 UXXMZHQXFIACTH-GOSISDBHSA-N 336.387 4.442 0 50 EIAA CCC(=O)Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 151087 QMTSDLZJBKOCHB-UHFFFAOYSA-N 328.751 4.429 0 50 EIAA O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1ccccc1 214390 QATGAJKFEGQIIS-UHFFFAOYSA-N 345.398 4.258 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1Br 254931 XGNGHBOHTQZFLE-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA COc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1Cl 435920 KBBWWQPXLDIYQK-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA O=C1CCCC[C@H]1Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 443238 XIUMQLWTQYNHNZ-LJQANCHMSA-N 334.371 4.351 0 50 EIAA biogenic Cc1nnc(SC(=O)Cn2c3ccccc3c3ccccc32)s1 2282496 YVTHJGSLPNSGNX-UHFFFAOYSA-N 339.445 4.273 0 50 EIAA O=c1c2cc(Cl)ccc2ncn1Cc1c(Cl)cccc1Cl 2544865 HPDXHEKBTFCZDO-UHFFFAOYSA-N 339.609 4.405 0 50 EIAA C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCCc1ccccc1 2738359 XRBFODXBZXCQRR-HNNXBMFYSA-N 331.843 4.246 0 50 EIAA O=C(COc1c(Cl)cc(Cl)cc1Cl)NCc1ccccc1 3183335 GSTHXYJETNNSMT-UHFFFAOYSA-N 344.625 4.342 0 50 EIAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4081725 FRQMUZJSZHZSGN-SPRSAMODSA-N 344.495 4.084 0 50 EIAA biogenic CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 4094504 MTQITLUMPNUEFZ-OAHLLOKOSA-N 344.842 4.082 0 50 EIAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)cc1)CC(=O)N2 4488940 HBVFYMWGFQQJMX-AWEZNQCLSA-N 329.371 4.097 0 50 EIAA CCc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 9436541 QWYCSDVTEZWIJJ-UHFFFAOYSA-N 325.437 4.165 0 50 EIAA CO[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 12300475 QZKWQDXNBQDDJD-OAQYLSRUSA-N 347.462 4.355 0 50 EIAA COc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc1 18037011 VIIHGHFHDNAICO-OAHLLOKOSA-N 345.402 4.142 0 50 EIAA CCCO[C@@H]1CCCN(Cc2c[nH]nc2-c2cc3ccccc3o2)C1 20992805 WLZGUDQGGDIPGB-QGZVFWFLSA-N 339.439 4.214 0 50 EIAA CCC1=NO[C@H](Cn2ccc(-c3cccc(-c4nccs4)c3)n2)C1 23251720 SWSPGXWBAYPYDQ-INIZCTEOSA-N 338.436 4.229 0 50 EIAA O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)N1C1CCCCC1 37246090 IRYDNJWLTHHGAO-PMACEKPBSA-N 333.431 4.138 0 50 EIAA c1ccc(CCc2c(-c3ccccc3)ncn2Cc2ccon2)cc1 65406306 KOOKVZGFNSKTAG-UHFFFAOYSA-N 329.403 4.372 0 50 EIAA COc1cc2ncc(C(=O)c3ccc(F)cc3)c(Cl)c2cc1OC 71775253 BBWNADIDPYPTPI-UHFFFAOYSA-N 345.757 4.276 0 50 EIAA COc1ccc(NC(=O)N[C@@H](CC(C)C)c2cccnc2)c(F)c1 97436914 KEJYCICNYORPOW-KRWDZBQOSA-N 331.391 4.138 0 50 EIAA BrCCOc1ccc(Br)c2ccccc12 145833147 LEQRBFFCXRFKFX-UHFFFAOYSA-N 330.019 4.376 0 50 EIAA Cc1cc(Br)cc(N[C@@H](c2cccnc2)c2ncc[nH]2)c1 195122443 WDVJDCSZFCJHOW-HNNXBMFYSA-N 343.228 4.077 0 50 EIAA Cc1cccc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 240902745 IVAGFFGKILMRMR-GOEBONIOSA-N 332.444 4.017 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN[C@H](C)c1ccccc1 252438243 JTFAPYUEBOLXAA-XGAGZNTDSA-N 333.516 4.176 0 50 EIAA COC[C@@H]1CCCN(C(=O)Nc2cccc(-c3csc(C)n3)c2)C1 299779186 DISNRRBFMWYNEH-CQSZACIVSA-N 345.468 4.009 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H]2c2cccn2C)c2nccc(C)c2c1 339838082 MCRROYUVSVXXPQ-LJQANCHMSA-N 333.435 4.167 0 50 EIAA Fc1cc(Cl)cnc1N1CCC2(CC1)OCCc1ccsc12 485192324 YUTVXVLOBSQVGA-UHFFFAOYSA-N 338.835 4.004 0 50 EIAA O=C(c1cccc2nc(C(F)F)[nH]c12)N1CCCC[C@@H]1c1ccco1 932983274 YAEGAXAEOIITGP-CYBMUJFWSA-N 345.349 4.461 0 50 EIAA O=C(c1cccnc1NCc1ccc(-c2ccccc2)o1)N1CCCC1 1704304449 ROWYUMDGMBDERT-UHFFFAOYSA-N 347.418 4.190 0 50 EIAA O=C1[C@H](Nc2cccc(/C=C/C(F)(F)F)c2)CCN1c1ccccc1 1875337638 YMCFNOATCBEXLV-QXLXQBSBSA-N 346.352 4.480 0 50 EIAA O=C(N[C@@H]1CC[C@H]2CC[C@H]1C2)c1nc(-c2ccccc2)ncc1Cl 1875357895 AZAVKJYBLZFTLU-IVMMDQJWSA-N 341.842 4.106 0 50 EIAA CCC1=C(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)SCCO1 2325806495 BUGQUTZTCHIEKU-UHFFFAOYSA-N 340.448 4.381 0 50 EIAA COc1cc(C(=O)Nc2ccccc2C(C)C)cc(OC)c1OC 44857 VNKUUKSPNWBREU-UHFFFAOYSA-N 329.396 4.088 0 50 EIAA Cc1cc(NC(=O)c2cccc(N(C)C)c2)ccc1Br 60790 USYVDJYOCDRQCV-UHFFFAOYSA-N 333.229 4.076 0 50 EIAA COc1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1 289915 ZRLGTPSYMYZWHQ-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA CCc1ccc(OC(=O)c2ccc(OC)cc2)c(Br)c1 358947 ACKMHJVKZXZOLK-UHFFFAOYSA-N 335.197 4.239 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 448775 VEXUWRSKVKVOAF-UHFFFAOYSA-N 344.414 4.177 0 50 EIAA Clc1ccc(CSc2nnnn2-c2ccccc2)cc1Cl 468535 HGZBMWHXOJJEBX-UHFFFAOYSA-N 337.235 4.261 0 50 EIAA O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccccc1)CCCCC3 1248416 HBAIXEBNGLFMGN-UHFFFAOYSA-N 342.489 4.438 0 50 EIAA COc1cc(Cl)cc(/C=C/c2ccc3cccc(O)c3n2)c1O 5586364 UZJPUZNTEPYHII-SOFGYWHQSA-N 327.767 4.478 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccccc1F)NCCc1ccccn1 12307530 OULMLNFYJYAKPI-HXUWFJFHSA-N 348.421 4.102 0 50 EIAA O=C(CSc1ccccc1)N[C@H]1CCCN(C2CCCCCC2)C1 12455629 YKJSKIVKRQGNCL-KRWDZBQOSA-N 346.540 4.082 0 50 EIAA CCCN1CCC(NC(=O)c2cc(C)c(-c3ccccc3)s2)CC1 13326419 PPTRNPPKIIBROW-UHFFFAOYSA-N 342.508 4.328 0 50 EIAA Cc1nc(-c2cccnc2)sc1C(=O)NCCC1=CCCCC1 16625781 MSRZGLYOWJUCDX-UHFFFAOYSA-N 327.453 4.134 0 50 EIAA Clc1cccc(CCNC2CCN(CCc3ccccc3)CC2)c1 16663231 YFJINUVHQPWVGD-UHFFFAOYSA-N 342.914 4.179 0 50 EIAA C[C@@H](c1cccs1)n1ccnc1-c1ccccc1Cn1cccn1 71721671 RWXNFYFXCKULEH-HNNXBMFYSA-N 334.448 4.466 0 50 EIAA CCc1noc(C)c1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71755384 GXKJBXPCJTXEGT-INIZCTEOSA-N 344.430 4.170 0 50 EIAA c1ccc(Cn2cc(-c3cccc4c3oc3ccccc34)nn2)nc1 91894055 DIEQHJMCMDZUIL-UHFFFAOYSA-N 326.359 4.288 0 50 EIAA CCCCn1ccnc1[C@@H]1CCCN(c2cc(CCC)nc(C)n2)C1 95502968 XUKSKSSBSSRXMX-QGZVFWFLSA-N 341.503 4.118 0 50 EIAA CCOP(=O)(OCC)OC1=C(C(=O)OC)[C@H]2CC[C@@]1(C)C2(C)C 101082767 KLRJIRHCALLJQF-BDJLRTHQSA-N 346.360 4.067 0 50 EIAA O=C(Cc1ccncc1)N[C@@H](c1ccc(Cl)cc1)c1cccs1 121313378 VNDPTWZYSDQXIB-SFHVURJKSA-N 342.851 4.245 0 50 EIAA CC(C)(C)n1cc(NC(=O)N2CCC(c3ccsc3)CC2)cn1 187218984 CODMILCOPWFEOY-UHFFFAOYSA-N 332.473 4.111 0 50 EIAA O=C(Nc1ccc(NC(=O)c2ccoc2Cl)cc1)c1cccs1 192298399 IBKUXHYJURMPBI-UHFFFAOYSA-N 346.795 4.499 0 50 EIAA CC[C@H](O)c1cc2n(n1)CCN(CCC1=C(C)CCCC1(C)C)C2 220518286 ZNEDTYRSHDWUAE-IBGZPJMESA-N 331.504 4.059 0 50 EIAA C[C@H](NC(=O)[C@H]1CCCN1c1ccccc1)c1ccccc1Cl 252571295 XRPBSMHGDOZYBZ-KBXCAEBGSA-N 328.843 4.186 0 50 EIAA Cc1nnc(N(C)C(=O)CC(c2ccccc2)c2ccccc2)s1 328596306 FMFXBNSGHFVYRG-UHFFFAOYSA-N 337.448 4.032 0 50 EIAA CO[C@H](C)c1nc(C)c(C(=O)N[C@@]2(C)CCCc3ccccc32)s1 331887796 DGLPJERZYRFIBB-YJYMSZOUSA-N 344.480 4.140 0 50 EIAA C[C@H](C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1cccc(F)c1 460671958 FURQZAABNSXMLA-AWEZNQCLSA-N 349.409 4.121 0 50 EIAA CC(C)CCc1ccc(NC(=O)N2CCC(c3ccon3)CC2)nc1 667209688 FMRRTXJJXQDBPO-UHFFFAOYSA-N 342.443 4.070 0 50 EIAA C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(C(F)F)nc1 850451793 GOSZYOYHLBVCSR-LRDDRELGSA-N 334.366 4.360 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Nc1ccc(F)c(Cl)c1)C2 1704326503 YIXAZWBGCUQPJT-WBVHZDCISA-N 340.826 4.292 0 50 EIAA O=C(/C=C/c1cccc(Br)c1)OCCCc1cccnc1 2325705779 JDRCQCLBUREWLD-CMDGGOBGSA-N 346.224 4.033 0 50 EIAA O=C(Nc1ccccc1)N1CC[C@]2(c3ccccc3)[C@@H](C1)C2(F)F 2325756056 BUJSEJOGEHZFCY-AEFFLSMTSA-N 328.362 4.127 0 50 EIAA CCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C(C)(C)C 2325871657 UBVNUZKYDGUJDN-UHFFFAOYSA-N 347.480 4.492 0 50 EIAA C[C@@H](c1ccc(-c2ccc(CN(C)C)cc2CO)cc1)N1CCCC1 2356156655 LTEUONWQPLLRDN-KRWDZBQOSA-N 338.495 4.064 0 50 EIAA CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 110830 UVRJQTZXCTVUQI-FZMZJTMJSA-N 343.398 4.330 0 50 EIAA CCOc1ccccc1C(=O)Nc1cc(OC)c(Cl)cc1OC 259120 AQOGVHHGZJVEII-UHFFFAOYSA-N 335.787 4.008 0 50 EIAA Fc1cccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)c1 300010 FLUMIAOKKHCCFW-UHFFFAOYSA-N 331.354 4.212 0 50 EIAA CSc1nsc(NC(=O)c2ccccc2-c2ccccc2)n1 471536 IFJONNKHLZBEJH-UHFFFAOYSA-N 327.434 4.179 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1 471844 WLCQMULIYMKSKI-SFHVURJKSA-N 340.423 4.221 0 50 EIAA Clc1ccc(Cn2ncc3c(NC4CCCCC4)ncnc32)cc1 521268 LZALKPBCUKWXMY-UHFFFAOYSA-N 341.846 4.273 0 50 EIAA CCCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 1252163 DIJCKRTZTNLMOA-UHFFFAOYSA-N 331.228 4.441 0 50 EIAA CCn1c(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)nc2ccccc21 2761306 VSFPZBAVSUHQBU-UHFFFAOYSA-N 346.434 4.417 0 50 EIAA COCCCNC(=O)c1cc(-c2ccccc2)nc2c(C)cc(C)cc12 2839706 IVUFVCKUNRRGBS-UHFFFAOYSA-N 348.446 4.285 0 50 EIAA Cc1ccc(C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)cc1 4809854 QQLVTSREXHKOTA-UHFFFAOYSA-N 328.751 4.282 0 50 EIAA Cc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1 4997707 UMZVQGFCESCERS-UHFFFAOYSA-N 348.494 4.443 0 50 EIAA CN1C(=O)c2ccccc2C12c1ccccc1CCc1ccccc12 5208804 NGMFSGAQSFCZQT-UHFFFAOYSA-N 325.411 4.163 0 50 EIAA O=C(O)CSc1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 8829937 FQTRIPHZPZEULK-UHFFFAOYSA-N 345.807 4.438 0 50 EIAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 13678149 OAMRQKIHYVJPOS-MRXNPFEDSA-N 338.451 4.013 0 50 EIAA COc1cccc(CSc2nnc(-c3csc(C)c3C)n2C)c1 17072032 VEZIBYOJTBGWLR-UHFFFAOYSA-N 345.493 4.461 0 50 EIAA c1ccc(Cc2cn(C3CCN(C4CCCCCC4)CC3)nn2)cc1 48067003 UANHBPHPEGFZNV-UHFFFAOYSA-N 338.499 4.229 0 50 EIAA COc1cccc([C@@H]2CCCCN2Cc2ccnc(C(C)C)n2)c1 72412454 BQSYPTUOJIIZRS-IBGZPJMESA-N 325.456 4.336 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N(C)[C@H](C)c3cncs3)c2c1 77304059 QAKOLRQSBVTQIC-CQSZACIVSA-N 339.464 4.450 0 50 EIAA Cc1cccc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)c1 77554265 ONIMJANDVBHYFZ-FQEVSTJZSA-N 335.447 4.049 0 50 EIAA CCNc1nc(C)cc(Nc2ccc(NC(=O)C(CC)CC)cc2)n1 82230367 SLNWTHMPLCFJTA-UHFFFAOYSA-N 341.459 4.335 0 50 EIAA Cc1cc(CN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)on1 91974091 GKLNOCOALHIOIM-UHFFFAOYSA-N 330.771 4.169 0 50 EIAA CC(C)Oc1cncc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 120906888 PVOUDKSHYQLZNX-AWEZNQCLSA-N 338.407 4.448 0 50 EIAA Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1c(C)noc1C1CC1)CCC2 129153210 ZNVOIAVELCDFIL-ZDUSSCGKSA-N 346.456 4.167 0 50 EIAA Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cnc3ccccc3n2)o1 173550155 LXPKEYWXTVYTLL-UGSOOPFHSA-N 335.407 4.145 0 50 EIAA CC[C@@H](c1ccccn1)N(C)CCC(=O)Nc1ccc(F)c(Cl)c1 244724718 MZISUTXIQPSZAE-KRWDZBQOSA-N 349.837 4.286 0 50 EIAA C[C@H](NC(=O)[C@H]1C[C@H]1c1cccnc1)c1cccc(C(F)(F)F)c1 248233858 CVTBASIDJAHXSE-UVBJJODRSA-N 334.341 4.081 0 50 EIAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccncc1 286477057 OEEBSQFDLZKZEW-YOEHRIQHSA-N 325.412 4.095 0 50 EIAA C[C@H]1CCN(C(=O)Nc2cccc3c2CCO3)[C@H](c2ccco2)C1 408397431 VILLGVUJCVRJOC-BBRMVZONSA-N 326.396 4.220 0 50 EIAA ClC1(Cl)C[C@@H]1CCOc1cccc(Oc2ncccn2)c1 818077839 TVFJHVOSMXKRDB-NSHDSACASA-N 325.195 4.232 0 50 EIAA Cc1cnc(OC(C)C)c(NC(=O)c2ccsc2C(F)F)c1 820929429 YQKVPKBLHIUEIR-UHFFFAOYSA-N 326.368 4.429 0 50 EIAA CCCc1nc(C)c(CNC(=O)C[C@H]2CCc3ccccc32)s1 823015160 GTWBORWATQZGSR-OAHLLOKOSA-N 328.481 4.140 0 50 EIAA CCOc1ccc2c(c1)[C@H](N[C@H](C)c1cc(O)ccc1F)CCO2 872062633 IFWRIXLURSTFGV-KZULUSFZSA-N 331.387 4.104 0 50 EIAA CSc1ncc(CN2CCCC[C@H]2CCc2cccs2)cn1 952968588 FNGYAFNPJRYPHF-HNNXBMFYSA-N 333.526 4.247 0 50 EIAA Cc1cc(Oc2cccc(-n3ccnc3)c2)nc(-c2cccs2)n1 1472702270 VZFBARKCLDUJJJ-UHFFFAOYSA-N 334.404 4.492 0 50 EIAA O=C(C[C@@H]1CCCC1(F)F)Nc1nc(-c2ccsc2)ns1 1776000116 PCAHDNKTKJXTMO-VIFPVBQESA-N 329.397 4.031 0 50 EIAA Cc1cc2occ(CC(=O)N[C@H]3CCCCCC[C@@H]3O)c2cc1Cl 1857666868 GZOBYFDVKIVSPM-IRXDYDNUSA-N 349.858 4.137 0 50 EIAA c1ccc(-c2ncc(-c3nccn3C[C@@H]3C[C@@H]4CC[C@H]3O4)s2)cc1 1857738171 UZPRWYPWRAGUGL-HRCADAONSA-N 337.448 4.241 0 50 EIAA C[C@H](Oc1ccccc1)c1noc([C@H](C)Oc2ccc(Cl)nc2)n1 1875259507 TYEIUNLFRUVHCT-RYUDHWBXSA-N 345.786 4.398 0 50 EIAA O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(F)cc1 95862 PLYJFDUOKSRODE-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA Cc1nn(C(=O)c2ccc(Cl)cc2Cl)c(N)c1-c1ccccc1 106487 HNMNEUMFXLSCPG-UHFFFAOYSA-N 346.217 4.436 0 50 EIAA COc1cc(CNCc2ccc(OC)c3ccccc23)cc(OC)c1 172243 HMFZPNSTJNRDDL-UHFFFAOYSA-N 337.419 4.155 0 50 EIAA O=C(Nc1ccc2c(c1)C(=O)OC2)Nc1ccc(Cl)cc1Cl 282071 IJOKRLSVHQWRMR-UHFFFAOYSA-N 337.162 4.308 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@H](C)C2)cc1 462330 ATFLHKCVMXMZJL-INIZCTEOSA-N 336.435 4.119 0 50 EIAA COc1ccc2c(c1)Cc1sc(NC(=O)c3cccs3)nc1-2 463985 ICJHKBYQTSPGFA-UHFFFAOYSA-N 328.418 4.037 0 50 EIAA O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 1326670 FWEZFVDOUXUMNH-UHFFFAOYSA-N 336.460 4.245 0 50 EIAA CCC(CC)c1nnc(NC(=O)COc2cccc(Cl)c2)s1 2889500 IYHJFRGHRVRWAQ-UHFFFAOYSA-N 339.848 4.113 0 50 EIAA O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 12561355 DNORKYIRALUIAA-MAUKXSAKSA-N 342.826 4.086 0 50 EIAA O=C(NCc1ccncc1)c1cc(-c2ccccc2)nc2ccccc12 13282169 MFVDNSCXDWSHLN-UHFFFAOYSA-N 339.398 4.227 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 16228397 DYTXFWIRKLEHFE-UHFFFAOYSA-N 328.387 4.077 0 50 EIAA O=C(Cc1noc(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1 16579505 HEFFLNBGBGIBEX-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA CN1CCC(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 65364890 KUGNZWHTDMEFHM-UHFFFAOYSA-N 344.842 4.065 0 50 EIAA Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1 67880811 HONGZFVMIKOHBP-LJQANCHMSA-N 332.451 4.160 0 50 EIAA C[C@H](c1cccs1)n1ccnc1-c1ccccc1Cn1cccn1 71721672 RWXNFYFXCKULEH-OAHLLOKOSA-N 334.448 4.466 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2ncccc2c1 72478784 RGSRGDXVWRGPPO-UHFFFAOYSA-N 343.386 4.162 0 50 EIAA Cn1cnc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cc21 96152114 MAQBAMFBXLOXFD-MRXNPFEDSA-N 338.411 4.316 0 50 EIAA CCCN(C)c1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)cc1 170599492 VEZXQFPVUKOGIS-GOSISDBHSA-N 343.496 4.275 0 50 EIAA CC(=O)[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 215964232 TWQVXDHJCLPJQC-MNWLTOSCSA-N 342.864 4.427 0 50 EIAA Cc1nc(-c2ccc(Cl)cc2Cl)sc1-c1ccnc(N)n1 221597225 PGZKUNZIYWDNIL-UHFFFAOYSA-N 337.235 4.465 0 50 EIAA O=C(O)C1CCC(NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 263394996 GHAZHIONWVAMOU-OGOZRWHJSA-N 342.266 4.330 0 50 EIAA CCOc1ccc2nc(NC(=O)[C@H]3CCC(F)(F)C3)sc2c1 331787968 ROJIRUDXMHFMLA-VIFPVBQESA-N 326.368 4.069 0 50 EIAA C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)cc2)C[C@@H](C)O1 426465334 WPDQFCFACQUYAM-BETUJISGSA-N 347.817 4.396 0 50 EIAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@H]1CC[C@@H]2CCC[C@@H]21 1857671994 BKJQEQSNRKUCFM-KKXDTOCCSA-N 341.430 4.001 0 50 EIAA CC(C)c1cc(Nc2ccc(S(N)(=O)=O)cc2)cc(C(C)C)c1O 245116 VBGHTWOMKJPMDR-UHFFFAOYSA-N 348.468 4.030 0 50 EIAA Cc1nnc(C)c2c(C)n(-c3ccc(Br)cc3)c(C)c12 313256 GMBUCLWZLPOFGJ-UHFFFAOYSA-N 330.229 4.417 0 50 EIAA CCc1cc(Br)ccc1NC(=S)NCc1ccco1 609570 WHUFERPRTSHTNA-UHFFFAOYSA-N 339.258 4.091 0 50 EIAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC(C)CC3)c2c1 1459716 PNHRUNJIZRGQDH-UHFFFAOYSA-N 345.446 4.477 0 50 EIAA CC(C)c1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1 2465734 BCOPPGVHRUCORH-UHFFFAOYSA-N 345.143 4.091 0 50 EIAA N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 4899416 TWOOKPVYHBSXIU-IBGZPJMESA-N 336.460 4.039 0 50 EIAA in-vitro COc1cccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 12457901 PTTVNFBUYDNYSE-CQSZACIVSA-N 339.414 4.179 0 50 EIAA Cc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 12652810 CEAXSYZYUDMPEZ-UHFFFAOYSA-N 344.414 4.429 0 50 EIAA CCc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 19788813 FKFSAKPNFITZIS-UHFFFAOYSA-N 328.887 4.220 0 50 EIAA CCCn1cc(-c2ccnc(N[C@H]3CCc4ccccc4C3)n2)c(C)n1 48057159 AWDKQTKIKYPWOU-SFHVURJKSA-N 347.466 4.028 0 50 EIAA COc1ccc(OC)c([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)c1 71767157 TWZHQIAQMJDYBM-VXKWHMMOSA-N 349.430 4.138 0 50 EIAA CCN(CC(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1C 96167075 USKGSFDPJMDHIX-UHFFFAOYSA-N 329.366 4.011 0 50 EIAA Cc1nc([C@H]2CCCN2Cc2ccc(-c3ccccc3Cl)o2)n[nH]1 97713705 JBGXJKCDQMJWIR-MRXNPFEDSA-N 342.830 4.364 0 50 EIAA Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3)n2C)n1 119238433 FKQZCXGXKUIXPA-FQEVSTJZSA-N 345.446 4.373 0 50 EIAA C[C@@H](CN(C)C(=O)c1ccccc1)c1nc(-c2cccn2C)cs1 182177859 KDONOMCVNUKCMS-AWEZNQCLSA-N 339.464 4.024 0 50 EIAA COc1cccc(-c2cccc(C(=O)NCCCc3cccnc3)c2)c1 220610640 XQRFKIUKCFDEPP-UHFFFAOYSA-N 346.430 4.120 0 50 EIAA Cc1cccc(C)c1OC[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1 239539191 AVTOQKCDIIRURG-PMACEKPBSA-N 343.442 4.019 0 50 EIAA CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H]2c2ccsc2)c1C 252458451 INIZFICLLUGPQC-BBRMVZONSA-N 344.480 4.304 0 50 EIAA COc1ccccc1-c1nc(CN2CCC(F)(F)[C@H](C)C2)cs1 289841811 PFQFSBARVQPASE-GFCCVEGCSA-N 338.423 4.296 0 50 EIAA CSc1ccc(NC(=O)N(C)[C@H](CN(C)C)c2ccccc2)cc1 299768184 GXXJUGUDWSLYPE-GOSISDBHSA-N 343.496 4.175 0 50 EIAA CSc1ccsc1C(=O)NCCc1c[nH]c2cc(F)ccc12 337270381 ZTCWCEBBPPYYDU-UHFFFAOYSA-N 334.441 4.063 0 50 EIAA COc1ccc([C@@H](NCc2nnc(C(C)(C)C)s2)C2CC2)c(F)c1 421845737 QWDBEMFWCLHXSB-INIZCTEOSA-N 349.475 4.224 0 50 EIAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc2c(C)ccc(F)c2o1 935123601 GVTRFVVTPWOUHN-HNNXBMFYSA-N 341.386 4.198 0 50 EIAA CC(C)n1cc([C@@H]2C[C@@H]2c2nc([C@H]3CCCC(F)(F)C3)no2)cn1 2325789768 LMPCGYLWSBLLQR-UBHSHLNASA-N 336.386 4.411 0 50 EIAA CCc1ccc(-c2noc(-c3ccc4c(c3)CCC[C@H]4N)n2)c(F)c1 2325822017 WTNBRCRFDPLNMX-GOSISDBHSA-N 337.398 4.441 0 50 EIAA O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cn1 50981 HZNIZUOHOUIRGH-UHFFFAOYSA-N 335.841 4.076 0 50 EIAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cn1 307494 JSQZSISVCHYYPB-FPYGCLRLSA-N 337.604 4.149 0 50 EIAA O=C(c1ccc(Br)o1)N1CCC(Cc2ccccc2)CC1 373820 RNEUUPHTAIURHH-UHFFFAOYSA-N 348.240 4.137 0 50 EIAA Clc1ccc(-c2nnc3sc(-c4ccco4)nn23)c(Cl)c1 520457 JHRHJCCSUZSRSV-UHFFFAOYSA-N 337.191 4.420 0 50 EIAA aggregator O=C1CC[C@H](CCNCc2ccccc2F)N1CCC1=CCCCC1 14994134 LMZBVRYDNILKMW-LJQANCHMSA-N 344.474 4.187 0 50 EIAA CC[C@@H]1CCCCN1C(=S)Nc1ccc2c(C)cc(=O)oc2c1 17067846 NHQWWOZGKYMEMX-CQSZACIVSA-N 330.453 4.063 0 50 EIAA Cc1csc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)n1 20537153 ZNXASVRBGVXIJI-UHFFFAOYSA-N 338.461 4.487 0 50 EIAA COc1ccc(CNCCc2ccc(Cl)cc2Cl)c(OC)c1 23258733 PSRJFLXGMZJYKF-UHFFFAOYSA-N 340.250 4.343 0 50 EIAA CCCCC/C=C\C/C=C\C=C\C=C\[C@H](O)[C@@H](O)CCCC(=O)O 25722203 UVZBUUTTYHTDRR-WAQVJNLQSA-N 336.472 4.158 0 50 EIAA in-vitro,metabolite Cn1cc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cn1 63856668 LNYQLUYQLCMNFM-UHFFFAOYSA-N 348.450 4.088 0 50 EIAA CCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1cccnc1 65406967 LASBAUOPNIGANU-UHFFFAOYSA-N 343.434 4.267 0 50 EIAA CN1CCC(c2c(-c3ccccc3)ncn2Cc2ccc(O)cc2)CC1 65459352 OUPHBOQLWZWNQM-UHFFFAOYSA-N 347.462 4.113 0 50 EIAA Fc1cnccc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71774656 ITUWYMVJGZSMJA-OAHLLOKOSA-N 327.186 4.105 0 50 EIAA CCc1ccc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cc1 77285938 AXZXBZFKZBCORE-NRFANRHFSA-N 349.474 4.303 0 50 EIAA CC(C)c1ccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)cc1 109851271 QKGSRJJCNSPFHJ-UHFFFAOYSA-N 340.471 4.002 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 170631330 ACSWWXKIMLTEIZ-GRIAEXQCSA-N 348.531 4.096 0 50 EIAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@H]2C1 239038848 FASWWPQUJBMJRU-YSGRDPCXSA-N 349.430 4.191 0 50 EIAA CC(C)(C)n1nc(C(=O)N2CC[C@H]2c2ccccc2F)cc1C1CC1 252537515 LMMLIDSDFXCOQP-KRWDZBQOSA-N 341.430 4.242 0 50 EIAA Cc1nc2ccccc2c(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1C(C)C 253416403 ALJOYNZCCASUHW-DLBZAZTESA-N 348.450 4.142 0 50 EIAA FC(F)c1nnc(N2CCC(F)(c3ccccc3Cl)CC2)o1 367911723 QBQOYZBVCFGLMB-UHFFFAOYSA-N 331.725 4.126 0 50 EIAA COc1ccc(-c2ccc([C@@H](C)N3CCCCC3)cc2)cc1CO 534581972 XOFZFCLFMQABPB-MRXNPFEDSA-N 325.452 4.401 0 50 EIAA Cc1noc2nc(-c3ccccc3)cc(C(=O)NC34CCC(CC3)C4)c12 784355938 VCVUSSUODLDXJY-UHFFFAOYSA-N 347.418 4.261 0 50 EIAA Cc1nccn1Cc1ccccc1NC(=O)c1csc(C(C)C)n1 828207936 SDILTPVLBDCZPF-UHFFFAOYSA-N 340.452 4.072 0 50 EIAA O=C(N[C@@H]1CCOc2c(F)cccc21)N[C@@H](c1cccs1)C1CC1 891692391 MVMIWKNCWGOBJP-GDBMZVCRSA-N 346.427 4.161 0 50 EIAA Cc1cc(C(=O)N2C[C@@H](CCC(=O)O)Cc3ccccc32)c(C)s1 902827408 LLNFQRJZOUZWKS-AWEZNQCLSA-N 343.448 4.049 0 50 EIAA CN(CC1(CO)CCCC1)C(=O)c1ccc(-c2ccccc2Cl)o1 952979498 IXCQIGALOOEZEG-UHFFFAOYSA-N 347.842 4.225 0 50 EIAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@]2(F)c2ccccc2)c2c(O)cccc21 1447356710 DSZORXKEUBBECI-PSGMQZRDSA-N 325.383 4.117 0 50 EIAA COc1cc(NC(=O)c2c(-c3ccccc3)ccnc2C)ccc1O 1506399163 ZYEXWWUSZXTNEB-UHFFFAOYSA-N 334.375 4.024 0 50 EIAA CC(C)SCc1nnc2sc(Cc3ccc(Cl)cc3)nn12 1776111051 QHTJGBYMXFQSDC-UHFFFAOYSA-N 338.889 4.072 0 50 EIAA CC(=O)c1cc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cs1 1857712184 MMHIEQQCLNZKIL-RBUKOAKNSA-N 341.476 4.303 0 50 EIAA Cc1c(N[C@H](C)c2csc(C(C)(C)C)n2)cnn1C1CCOCC1 1875284665 FHCNOCWLVKCNLH-GFCCVEGCSA-N 348.516 4.470 0 50 EIAA O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 101261 YTACCJMZGUDUFH-UHFFFAOYSA-N 336.627 4.448 0 50 EIAA COc1cc(OC)cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 193964 VVKGZHLRJNAQMJ-UHFFFAOYSA-N 348.811 4.219 0 50 EIAA COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 266029 YUCLAHIHYACTCU-UHFFFAOYSA-N 347.411 4.195 0 50 EIAA CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC(C)=O 409406 LIXMHCHSXSILBY-UHFFFAOYSA-N 331.966 4.151 0 50 EIAA C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 536335 DAHFBNNQAHMNQB-JTQLQIEISA-N 333.313 4.073 0 50 EIAA COc1ccccc1NC(=S)N1CCC(Cc2ccccc2)CC1 541811 OAPHKQPQWBAYMP-UHFFFAOYSA-N 340.492 4.347 0 50 EIAA Cc1ccc(C(F)(F)F)cc1NC(=S)NC(=O)c1ccccc1 1394273 XYYPELJMTBGMHW-UHFFFAOYSA-N 338.354 4.141 0 50 EIAA COc1ccc(CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 3551918 FWQDEBFXWSLDSY-UHFFFAOYSA-N 333.815 4.237 0 50 EIAA Cc1occc1C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 8908247 YSGGHTYISDAUQS-UHFFFAOYSA-N 346.342 4.009 0 50 EIAA COc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)cc1OC 16662506 CXQWOFBSDBXZHK-UHFFFAOYSA-N 335.447 4.264 0 50 EIAA COC(=O)c1cc(-c2cccs2)nc2c(-c3ccccc3)c(C)nn12 20615397 HSQLZLJOHLHWRX-UHFFFAOYSA-N 349.415 4.220 0 50 EIAA CSc1ccccc1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl 33026166 XGDAROGKNOKYRQ-UHFFFAOYSA-N 349.765 4.067 0 50 EIAA CS[C@H](C)Cc1c(-c2ccccc2)ncn1CCc1ccccn1 65469514 VUYVZTNNJKOBFD-MRXNPFEDSA-N 337.492 4.482 0 50 EIAA CC[C@@H]1C[C@H](NC(=O)c2ccccc2)C[C@H](CCc2ccccc2)O1 65501930 FDJHFSGKQHUNHE-HBMCJLEFSA-N 337.463 4.375 0 50 EIAA CCc1ccc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 71375493 XJZYKGJFQKAFMJ-UHFFFAOYSA-N 330.431 4.416 0 50 EIAA CSc1cccc(NC(=O)N2CCCC[C@@H]2CCn2cccn2)c1 72164630 RMDRTROFZPLQLQ-MRXNPFEDSA-N 344.484 4.082 0 50 EIAA CCCn1nc(C)cc1NC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 95524082 ACPWBMSMPVUGJD-OAHLLOKOSA-N 346.862 4.276 0 50 EIAA C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc(O)c1 112458047 ZSHISBYKWKHFDU-KXBFYZLASA-N 339.439 4.175 0 50 EIAA CCC(C)(C)[C@@H]1CCCN1C(=O)Cc1csc(-c2ccccn2)n1 133497236 DKYGFZXVCNQPHI-INIZCTEOSA-N 343.496 4.175 0 50 EIAA CC(C)(C)C[C@@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(F)(F)F 184661763 MQDNHIOUCWYOGU-QWHCGFSZSA-N 346.397 4.013 0 50 EIAA CN(Cc1ccccn1)[C@@H]1CCCN(Cc2cccc3cc[nH]c23)CC1 275806957 TXVUOLQVHORPEW-OAQYLSRUSA-N 348.494 4.049 0 50 EIAA CCN(C(=O)c1cc(C(C)=O)c(C)nc1C)c1ccccc1Cl 362538418 UZRHLNRMDDTALH-UHFFFAOYSA-N 330.815 4.221 0 50 EIAA CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(-c3ccccc3)on2)c1 437210907 AQLSBNNENCGICH-ZWKOTPCHSA-N 348.402 4.026 0 50 EIAA FC(F)(F)c1nccc(NCCc2c(Cl)cccc2Cl)n1 670429346 UGTNNLBXTZCNFJ-UHFFFAOYSA-N 336.144 4.457 0 50 EIAA O=C(Nc1nc(CCO)cs1)c1csc(C2CCCCC2)c1 820180282 CPENOBIHTBZBLT-UHFFFAOYSA-N 336.482 4.039 0 50 EIAA CC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCc3cccc(O)c32)c1 885618166 PXYOVZVQJSJMEU-QGZVFWFLSA-N 339.435 4.376 0 50 EIAA CCc1nc(C)sc1CNC1CCN(c2ccc(C)cc2)CC1 1506399081 YLENEOLQWJDOKS-UHFFFAOYSA-N 329.513 4.081 0 50 EIAA c1ccc(CC[C@H]2CCCCN2Cc2cccc(-n3cccn3)c2)nc1 1506427123 VFKQGCBBZKKZLN-OAQYLSRUSA-N 346.478 4.255 0 50 EIAA CC(C)COc1ccc(NC(=O)/C=C/c2cncs2)cc1Cl 2325748907 SQNHSMSSUGOVLN-GQCTYLIASA-N 336.844 4.483 0 50 EIAA C[C@@H](c1ccc(Br)cc1)N1CCc2ccccc2[C@@H](O)C1 2325828129 ZOXVKPJDQOMRTJ-UGSOOPFHSA-N 346.268 4.102 0 50 EIAA Cc1ccc(Cl)c(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 243128 AGJJHWAJNKGRRD-OAHLLOKOSA-N 344.842 4.055 0 50 EIAA CCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 433864 SQMZBRGFDWGSDA-UHFFFAOYSA-N 337.448 4.261 0 50 EIAA O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 503273 SPIIQZHASBRWMQ-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA O=C(O)c1cc(-c2ccccc2)nn1-c1ccc(Br)cc1 732362 SKTSJINMYBCNEB-UHFFFAOYSA-N 343.180 4.000 0 50 EIAA CCOc1cccc(OCCOCCOc2ccc(C)c(C)c2)c1 2986793 WVVFCVQLOFYUHD-UHFFFAOYSA-N 330.424 4.177 0 50 EIAA C[C@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 5912036 FVGFBPCNUYQRDN-AVRDEDQJSA-N 347.458 4.444 0 50 EIAA Cc1ccc([C@H]2C[C@H]2c2nnc(S)n2-c2ccc(F)cc2)cc1 6533848 VUDWBEWIOGNWKC-HZPDHXFCSA-N 325.412 4.275 0 50 EIAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccccc1C 7720107 AVAOMMIPXHNAQC-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA CC(=O)N1CCC[C@H]1c1ccc(C(=O)NCCC2=CCCCC2)s1 19770910 PCTOYDNKRCIUOR-INIZCTEOSA-N 346.496 4.052 0 50 EIAA CC[C@@H](C)n1nc(C)c2[nH]c(-c3ccc(OC)c(C)c3OC)nc21 20449442 KFXYZROWGNCXPU-SNVBAGLBSA-N 328.416 4.031 0 50 EIAA CCCC[C@H](CC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20582177 UNSIDJBKRBHJGF-JTPHSUOKSA-N 328.500 4.060 0 50 EIAA Cc1cc(C)c(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)cc1C 67654488 CWXREIKBXVWYRZ-UHFFFAOYSA-N 343.430 4.225 0 50 EIAA c1cn(-c2ccc3c(c2)OCO3)c(-c2ccc([C@@H]3CCCO3)s2)n1 67947855 GLJORPYVVSLZAX-AWEZNQCLSA-N 340.404 4.181 0 50 EIAA CC[C@H](c1cccs1)n1ccnc1-c1cc2ccccc2[nH]c1=O 71589520 FGCNVJDESHSXBL-MRXNPFEDSA-N 335.432 4.453 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](c2ccccc2C)C1 91304754 VBAOKLAXJPBPAH-QGZVFWFLSA-N 339.483 4.355 0 50 EIAA CC(C)N(CCCc1ccccc1)C(=O)c1cccc2nccnc12 97635043 VKMBRVRGIAVGOJ-UHFFFAOYSA-N 333.435 4.113 0 50 EIAA Cc1cnccc1NC(=O)NCc1ccccc1OC1CCCC1 121785888 MXKOSIJYRALEFI-UHFFFAOYSA-N 325.412 4.033 0 50 EIAA Fc1cccnc1N1CCN(C2c3ccccc3-c3ccccc32)CC1 170687013 QLQFRVFUOVPDGT-UHFFFAOYSA-N 345.421 4.113 0 50 EIAA C[C@@H](NC(=O)c1cccc2cc[nH]c12)c1nc(C2CCCCC2)no1 173223621 TXICJQBRTBGPTI-GFCCVEGCSA-N 338.411 4.090 0 50 EIAA O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1c[nH]nc1C1CC1 190617477 SNZZGFKXPMXZCC-QGZVFWFLSA-N 327.403 4.088 0 50 EIAA CCC[C@@H](C)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 245264327 CTYCVTCPTXYFKF-ACJLOTCBSA-N 348.537 4.062 0 50 EIAA C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cn(C)nc1C(C)(C)C 331830074 QYMWPKHNWAHLGQ-CYBMUJFWSA-N 339.439 4.297 0 50 EIAA COc1cccc([C@H]2CCCN2C(=O)c2cccc(-n3cccc3)c2)c1 346012388 LPESQPKDMDCYFU-OAQYLSRUSA-N 346.430 4.463 0 50 EIAA Brc1ccc2c(c1)[C@H](c1c[nH]c3ccccc13)NCC2 526055994 KHLGLGAFUULBJR-QGZVFWFLSA-N 327.225 4.166 0 50 EIAA CCc1nccc(CNCC[C@@H](c2ccc(F)cc2)c2ccco2)n1 952974782 FQDAKNLRAKWZSG-SFHVURJKSA-N 339.414 4.083 0 50 EIAA CC(C)Cc1ccc(C(=O)N2CCC(c3ccnc(O)c3)CC2)cc1 1772810842 OCKQPBTYELODLW-UHFFFAOYSA-N 338.451 4.006 0 50 EIAA CC(C)c1nc(O)ccc1C(=O)N(Cc1ccccc1)CC1CCC1 1940197322 HJTUVBUHGBBDOS-UHFFFAOYSA-N 338.451 4.353 0 50 EIAA C[C@@H](c1ccc(Cl)cc1Cl)n1cc(-c2ccc(N)cc2)nn1 2325839881 HUUBGPQQRDVRHR-JTQLQIEISA-N 333.222 4.443 0 50 EIAA CCCc1cc(C(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)cc(O)n1 2325865618 JMRZGMQUHMCLEI-RDJZCZTQSA-N 329.440 4.279 0 50 EIAA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 29052 UIRYEEVYDFFADV-UHFFFAOYSA-N 345.240 4.302 0 50 EIAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 37336 LXBJYZZMIIFFAG-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA C[C@@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 143662 YZNXZMZUADGCIU-LLVKDONJSA-N 344.867 4.285 0 50 EIAA COc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 303012 DMHFFGIVDLZASZ-UHFFFAOYSA-N 333.391 4.325 0 50 EIAA Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 303108 FTYJSFNHSZULMN-MRXNPFEDSA-N 336.435 4.110 0 50 EIAA COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 318052 NUFVDXGHFPLDKE-OAQYLSRUSA-N 346.382 4.476 0 50 EIAA COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 514225 IUWXCNCSRFYKRF-UHFFFAOYSA-N 339.416 4.163 0 50 EIAA CC(C)Oc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 1791415 IWBZRYKOWKSDBA-UHFFFAOYSA-N 339.420 4.245 0 50 EIAA CC(C)OCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2877783 FGIUWGXAQLGKCC-UHFFFAOYSA-N 348.446 4.447 0 50 EIAA Cc1ccc2[nH]c(SCc3nc(-c4cccs4)no3)nc2c1 4385887 OLNMRMBNJWZUJP-UHFFFAOYSA-N 328.422 4.275 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 5091510 RLTCWLVVKXXRSV-UHFFFAOYSA-N 337.297 4.134 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C)ccc1C 7759972 VYCPPUBBIVJFRK-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CCCC2)CC1 12596073 SOCYVFOTOXULPR-UHFFFAOYSA-N 349.902 4.470 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1c1nccc(-c2c(C)nn(C)c2C)n1 23159325 CIKVDHLYFOGLRA-IBGZPJMESA-N 347.466 4.144 0 50 EIAA COC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 47218855 GKYGIFOXNSWSCX-UHFFFAOYSA-N 330.181 4.384 0 50 EIAA Cc1nc([C@@H](C)N(C)Cc2nnc(-c3ccccc3)o2)c(C)s1 77299333 NRWIAFALJREVFS-LLVKDONJSA-N 328.441 4.003 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3c3cc(C)on3)c2c1 77356522 GEBUVSWUZFICTH-FQEVSTJZSA-N 349.434 4.379 0 50 EIAA CCCCn1ccnc1[C@H]1CCCN(c2nnc(C(C)C)s2)C1 95360711 QOAIGCDLUYYXIY-AWEZNQCLSA-N 333.505 4.042 0 50 EIAA O=C(c1ccnc(-c2cc(F)cc3cccnc23)c1)N1CCCCC1 97088542 ABVYRKUHWDLFNE-UHFFFAOYSA-N 335.382 4.062 0 50 EIAA O=C(NNc1ccccc1)c1cccc(Oc2ccc(Cl)cc2)n1 135857312 SSQNUWPWIKVBDH-UHFFFAOYSA-N 339.782 4.284 0 50 EIAA Cc1oc2nc(CN[C@@H](CC(C)C)c3ccccc3)nc(N)c2c1C 170591649 ZJDXDWJRJBTLIB-INIZCTEOSA-N 338.455 4.299 0 50 EIAA COc1cc(C2(C(=O)Nc3ncc(C(C)C)s3)CC2)ccc1C 170640612 CWKQSKAEBQITEO-UHFFFAOYSA-N 330.453 4.254 0 50 EIAA Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1 229341823 UAAVEAIJYMCTAH-UHFFFAOYSA-N 331.771 4.036 0 50 EIAA Oc1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)nc2ccsc12 253535063 CIRSXJYEJGVAJR-JTQLQIEISA-N 328.290 4.475 0 50 EIAA CCC(CC)C(=O)Nc1nc2ccccc2n1CCc1ccccn1 468321125 QZPBXHQZHILIGT-UHFFFAOYSA-N 336.439 4.049 0 50 EIAA CCn1c(C)cc2cc(NC(=O)c3cc(CC(C)C)on3)ccc21 823582643 VASXGCRKFBDGAQ-UHFFFAOYSA-N 325.412 4.408 0 50 EIAA O=C(Cc1ccc(F)cc1Cl)Nc1ccccc1CN1CCCC1 827848331 ANGYWWLEZNYVND-UHFFFAOYSA-N 346.833 4.256 0 50 EIAA C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCN2 926148564 WPQQWADUVYHGHM-FOIQADDNSA-N 335.451 4.455 0 50 EIAA COc1cccc2ccc(NCCN3CCCc4ccccc43)nc12 1529191680 BLJQAOIHCJAOEZ-UHFFFAOYSA-N 333.435 4.108 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2csc(CCC)n2)C[C@H](C(C)C)O1 1857713855 UUZYHEOPTZICLM-GDBMZVCRSA-N 338.517 4.151 0 50 EIAA CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(S(=O)(=O)O)cc1 2299912209 KESPDISUXFUMBI-ROUUACIJSA-N 334.437 4.326 0 50 EIAA COc1cncc(/C=C/C(=O)O[C@H]2C[C@@H](c3cccc(Cl)c3)C2)c1 2325735957 JTBXIRKVXDSULO-XORFASSUSA-N 343.810 4.246 0 50 EIAA CN1CCCc2ccc(NCc3csc(-c4ccco4)n3)cc2C1 2325798974 MCEKXPUBWAEKBY-UHFFFAOYSA-N 339.464 4.393 0 50 EIAA COc1ccc(/C=C/C(=O)Oc2ccc(C(C)C)cc2)cc1OC 48257 FZTUFQFZVCQYBE-WUXMJOGZSA-N 326.392 4.446 0 50 EIAA biogenic Cc1ccc(C[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 261243 UPSVPVGJAUEQSF-AWEZNQCLSA-N 347.336 4.136 0 50 EIAA COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c1 450799 OJAANQZRIAHETK-AWEZNQCLSA-N 341.451 4.492 0 50 EIAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCC3)c2C(N)=O)C1 2762069 PXMOGMDLQYFPQV-GFCCVEGCSA-N 348.512 4.127 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc(Cl)cc1Cl)OC2=O 2882978 MTEKMBMHBCVBJU-CVEARBPZSA-N 343.206 4.021 0 50 EIAA CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccccc21 3876657 MXXLOVSZWRZIFC-UHFFFAOYSA-N 328.415 4.340 0 50 EIAA COc1ccccc1-c1nnc2sc(/C=C/c3ccccc3)nn12 4664939 JADMJTVBUOYYAZ-VAWYXSNFSA-N 334.404 4.032 0 50 EIAA COc1ccc(Oc2ccc3c(c2)c2c4n3CCN[C@H]4CCC2)cc1 4817341 LTMIZKVXZVNXNW-IBGZPJMESA-N 334.419 4.423 0 50 EIAA CCCCCCNC(=O)c1ccc(C(=O)NCCCCCC)cc1 4827545 NNGQKAZLMMHZDR-UHFFFAOYSA-N 332.488 4.307 0 50 EIAA CCC(CC)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 4842993 XQXXPGVOGRWPGW-UHFFFAOYSA-N 336.391 4.230 0 50 EIAA CCCC[C@@H](CC)CNC(=O)CCC(=O)NC[C@H](CC)CCCC 4904891 HFROAVSQZYUARR-QZTJIDSGSA-N 340.552 4.432 0 50 EIAA CCCC[C@H]1C(=O)CC[C@H]2[C@@H]1CC(=O)[C@@H]2C/C=C\CCCC(=O)O 8716759 CGCZPIJMGKLVTQ-KYKMUFIXSA-N 334.456 4.178 0 50 EIAA in-man Fc1ccc(Cc2noc(CCCc3c[nH]c4ccccc34)n2)cc1 19225991 JUMBUYZKZAPFPP-UHFFFAOYSA-N 335.382 4.456 0 50 EIAA Cc1ncnc(N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1C 91965625 REPJUZQJCKABPF-OAHLLOKOSA-N 339.487 4.307 0 50 EIAA O=C(O)c1ccc(-c2ccc(F)cc2OCc2ccccc2)c(O)c1 95495522 VWIZTVSPLFTPRO-UHFFFAOYSA-N 338.334 4.476 0 50 EIAA Cc1cc(N)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1 95836192 MNUPHINLCXJKEZ-UHFFFAOYSA-N 348.487 4.479 0 50 EIAA in-vitro O=C(c1ccc(CN2CCCC2)o1)N1CCCCC[C@H]1c1ccco1 97553299 VCWSYMWTIFBVNA-KRWDZBQOSA-N 342.439 4.226 0 50 EIAA CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](C)[C@H]1[C@@H]2C 100529317 KPUIORAMYKZOGW-IMDBMMJGSA-N 329.440 4.489 0 50 EIAA CC1=NN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C(=O)[C@@H]1C 102572671 KCTJXIXQTQGIAE-SSDOTTSWSA-N 340.235 4.476 0 50 EIAA O=C(c1cccc(C(F)F)c1)N1C[C@@H]2CCCN2Cc2ccccc21 171545424 ZTYSGBUQIGAQEZ-KRWDZBQOSA-N 342.389 4.249 0 50 EIAA Cc1occc1-c1cc(=NC(=O)N2CCC[C@H]2c2cccs2)[nH]o1 328588794 WPGTWKCMVBGTIR-ZDUSSCGKSA-N 343.408 4.095 0 50 EIAA Clc1ccc2nc([C@@H]3CCCN3c3nc(C4CC4)ns3)[nH]c2c1 330282572 VMMLGHPSZHIGBR-ZDUSSCGKSA-N 345.859 4.287 0 50 EIAA CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1 461245129 KRKIULWAKBKLKZ-MRXNPFEDSA-N 341.430 4.036 0 50 EIAA Cc1sc2ncnc(Nc3cccc([C@@H]4CCC(=O)N4)c3)c2c1C 665750540 VTONHDZKRWYACV-AWEZNQCLSA-N 338.436 4.003 0 50 EIAA Cc1ccc2c(CC(=O)N3CCC[C@H]3c3ccc(O)cc3)c[nH]c2c1 726191859 VWRDGXJUNFCIKE-FQEVSTJZSA-N 334.419 4.088 0 50 EIAA C[C@H](Cc1ccccn1)N(C)Cc1cc(CN2CCCCC2)cs1 823648965 CWALIMLAVBHANF-QGZVFWFLSA-N 343.540 4.192 0 50 EIAA Cc1cc(NC(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)ccc1N 850776689 WWJQSBZQZXRUKX-QGZVFWFLSA-N 339.414 4.474 0 50 EIAA Cn1ncc(C2CC2)c1C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 888904055 HCQLNTHKIBOAGN-AEFFLSMTSA-N 337.467 4.144 0 50 EIAA CC(=O)c1cc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)cs1 1506420571 JKZWULGWRAVGNB-HXUWFJFHSA-N 341.476 4.391 0 50 EIAA Cc1ncsc1C(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1529190000 CREWYPYBGBAFJX-JKSUJKDBSA-N 344.480 4.080 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CC(C)(C)c1ccccc1)C2 1704298961 MCFNFGVXGWGPLJ-WIYYLYMNSA-N 329.484 4.162 0 50 EIAA O=C(Nc1nnc(CC2CCCC2)o1)c1ccc(-c2ccccc2)nc1 1875349798 NBVJPWIEQFMOSP-UHFFFAOYSA-N 348.406 4.117 0 50 EIAA C[C@@H]1C[C@H]2CCCC[C@@H]2N(C(=O)c2cccc(-c3ccncc3)n2)C1 2325791699 RHHNJUUHNSXQTP-MDYRTPRTSA-N 335.451 4.184 0 50 EIAA CCc1ccc(-c2ccc(C(=O)N(Cc3cnn(C)c3)C3CC3)o2)cc1 2325821649 HKVZSAVICBPJSK-UHFFFAOYSA-N 349.434 4.047 0 50 EIAA Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)c(Br)c1 43956 WQANERVOCXDDSH-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA O=C(NCc1ccco1)c1cc(-c2cccs2)nc2ccccc12 475942 KVZLHDHHFIYJQN-UHFFFAOYSA-N 334.400 4.486 0 50 EIAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1 2985286 DJVPSWYPRYIIFT-UHFFFAOYSA-N 346.427 4.131 0 50 EIAA O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1CCc1ccccc1 4316832 YXWBUEYSWMJULC-UHFFFAOYSA-N 335.790 4.332 0 50 EIAA c1ccc(-c2noc(CSc3nnc(-c4ccccc4)o3)n2)cc1 4686512 GHTNGWWLUPFGQK-UHFFFAOYSA-N 336.376 4.079 0 50 EIAA Cc1nnc(SCC(=O)c2c[nH]c3ccccc23)n1-c1ccccc1 4758285 PXEHQKBJZXRZFY-UHFFFAOYSA-N 348.431 4.032 0 50 EIAA O[C@]12CCCC[C@H]1[C@@H](c1cccc(OCc3ccccc3)c1)NCC2 5683301 NXWLYGWIEVOKFF-BDTNDASRSA-N 337.463 4.221 0 50 EIAA O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)cc1 10296585 TXVIFRSUYCUAQQ-QGZVFWFLSA-N 331.799 4.150 0 50 EIAA CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 11177901 ANWIAKCDUNNIKO-UHFFFAOYSA-N 334.375 4.347 0 50 EIAA O=C1C/C(=C\c2ccc(Br)cc2)c2nc3ccccc3n21 13640670 JZNCYAOSTMSPJZ-FMIVXFBMSA-N 339.192 4.383 0 50 EIAA Cc1nc([C@H](C)N(C)Cc2nc(-c3cccs3)no2)c(C)s1 23338828 MIFPXESWLUPLNI-VIFPVBQESA-N 334.470 4.064 0 50 EIAA Cc1cc(C)n(C[C@H](C)n2ccnc2-c2coc(-c3ccccc3)n2)n1 71751221 ZKVPVLCBJUKQHS-INIZCTEOSA-N 347.422 4.280 0 50 EIAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 100237535 FPFRIIVGTRKFAQ-HOJOPBEUSA-N 348.229 4.251 0 50 EIAA O=c1cc(CNc2cccc(-c3cccs3)c2)nc2ccccn12 225531727 NPPHXWJOFLEJKV-UHFFFAOYSA-N 333.416 4.035 0 50 EIAA O[C@@H](C[C@@H]1CCCCCN1Cc1ncc(C2CC2)o1)c1ccco1 253416131 WJVHRCCVMUSQPT-HOTGVXAUSA-N 330.428 4.013 0 50 EIAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C3CCCCC3)cc2)C1 492795636 YVKAACLMYYBRFH-LEWJYISDSA-N 340.511 4.291 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)c2cnn(C(C)C)c2)cc1C 822815974 MOCXWHCWRDDYAG-UHFFFAOYSA-N 342.443 4.153 0 50 EIAA Cc1cc2cc(CN3CC[C@@](C(=O)O)(c4ccccc4)C3)oc2cc1C 901830122 XEMVRIIEAADQLY-QFIPXVFZSA-N 349.430 4.278 0 50 EIAA O=Cc1ncc(Br)cc1OCc1cccc2ccccc12 1473096066 FECRKXMNDGFVHX-UHFFFAOYSA-N 342.192 4.389 0 50 EIAA Cc1cc(Oc2ccccc2)nc(N2CCC[C@H]2Cc2cccnc2)n1 1875333636 FKFGXPWNHNNVBZ-SFHVURJKSA-N 346.434 4.184 0 50 EIAA O=C([C@@H]1CCC2(CCC2)CN1)N1CC[C@@H](c2cccc3ccccc23)C1 2325870483 ZBUZCQRBSAYWTF-NQIIRXRSSA-N 348.490 4.078 0 50 EIAA COc1cc2c(C)nc3c(c(C)nn3Cc3ccccc3)c2cc1OC 187703 LDCYLRMYDDBHPD-UHFFFAOYSA-N 347.418 4.267 0 50 EIAA COc1ccc(C)cc1NC(=O)COc1ccc(Cl)cc1Cl 299559 IGMFJPPHHDEBAR-UHFFFAOYSA-N 340.206 4.328 0 50 EIAA CCOc1ccc(N[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 1227440 DPWPLOZELCBIPD-MRXNPFEDSA-N 342.420 4.032 0 50 EIAA FC(F)(F)[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ccnn21 2526597 CMGLKEOAMCPSQK-MNOVXSKESA-N 346.150 4.306 0 50 EIAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SC 2881502 AEYILBKXYYXNNE-CYBMUJFWSA-N 342.464 4.189 0 50 EIAA COc1ccccc1OCCOCCOc1ccc2ccccc2c1 2985086 UINTXWQVVIFMGL-UHFFFAOYSA-N 338.403 4.323 0 50 EIAA Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cs1 4749811 AXJVOMZQEJUETI-UHFFFAOYSA-N 331.828 4.207 0 50 EIAA Cc1cc(NC(=O)c2cccc(Cl)c2)nn1Cc1ccc(F)cc1 4857552 HCVIPJLEHAXENZ-UHFFFAOYSA-N 343.789 4.285 0 50 EIAA Cc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 5324688 FDUHCXLTQNLILM-UHFFFAOYSA-N 346.356 4.324 0 50 EIAA Clc1ccc(COc2ccccc2CNCC2CCNCC2)cc1 10434544 HPBPXCFUMLDGGG-UHFFFAOYSA-N 344.886 4.008 0 50 EIAA COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 11665391 USUXWUNBKVDFLD-QGZVFWFLSA-N 344.842 4.065 0 50 EIAA Cc1cc(C)c(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)o1 11666809 OZOKUTKRMHAFKF-GOSISDBHSA-N 326.440 4.230 0 50 EIAA CCOC(=O)C1(CCc2ccccc2)CCN([C@H](C)CSC)CC1 12023459 BMTXMHDMHDVELH-QGZVFWFLSA-N 349.540 4.016 0 50 EIAA C[C@H](c1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1)N1CCOCC1 67459770 MFZDZXIPVMOZGR-CYBMUJFWSA-N 345.826 4.098 0 50 EIAA COc1ccc(OC)c([C@@](C)(O)[C@H](c2ccccc2)c2ccccn2)c1 71767158 TWZHQIAQMJDYBM-FGZHOGPDSA-N 349.430 4.138 0 50 EIAA Cc1cc(N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)nc2ccccc12 72143320 NLPHWDXHQGZTAO-QFIPXVFZSA-N 343.430 4.034 0 50 EIAA Cc1ccc(Oc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)nn1 72442337 XEBFOOKQRZOHAE-OAHLLOKOSA-N 333.391 4.068 0 50 EIAA Cc1c(C(=O)N2CCCC[C@@H]2c2ncon2)oc2ccc(Cl)cc12 123854331 FBPAPZZUUVKRKG-CYBMUJFWSA-N 345.786 4.145 0 50 EIAA Cn1ccnc1-c1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1 136813776 PECKGTONKMFSEW-UHFFFAOYSA-N 347.752 4.271 0 50 EIAA Cc1ccc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)cc1-c1ncco1 157697420 FFWJFCMMISDFQT-LBPRGKRZSA-N 338.411 4.122 0 50 EIAA COc1cccc2cc([C@H](C)Nc3cccc(C[S@](C)=O)c3)oc12 170592773 JHZINDINNQXVGC-RZFZLAGVSA-N 343.448 4.493 0 50 EIAA O=C(Nc1cccc(Oc2cccnn2)c1)c1cccc2ncccc12 175914883 ZOFIPXKHVKBJNR-UHFFFAOYSA-N 342.358 4.069 0 50 EIAA Cc1ccnc(Oc2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)n1 177353645 LPWYTUSEAGSTNQ-UHFFFAOYSA-N 344.374 4.311 0 50 EIAA COc1ccc2cccc(CC(=O)Nc3ccc(C)c(O)c3C)c2c1 178774725 VULCYLKTSDOWFY-UHFFFAOYSA-N 335.403 4.352 0 50 EIAA CC(C)n1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cn1 191385458 XJMCTIDCJNKZSS-LJQANCHMSA-N 336.439 4.313 0 50 EIAA C[C@@H](c1ccccn1)N(C)Cc1cc(CN2CCCCC2)cs1 215722514 SKMJBBNAOACBJT-INIZCTEOSA-N 329.513 4.322 0 50 EIAA C[C@@H](Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cccc(F)c1 225482838 YQHIKZBNTHNYNS-CQSZACIVSA-N 348.849 4.484 0 50 EIAA CC[C@H](OC(=O)c1ccc(Br)o1)c1ccnc(Cl)c1 240225425 DHSFWSUGGADFDQ-VIFPVBQESA-N 344.592 4.399 0 50 EIAA O=C(CCc1ccncc1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 280733957 RHYOQCGAILDRQA-JCNLHEQBSA-N 348.368 4.095 0 50 EIAA CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1nc(C)sc1C 353552966 ABOGEGXZIVDQQA-ZIFCJYIRSA-N 330.497 4.201 0 50 EIAA O[C@@H]1c2ccc(-c3ccc(F)cc3Cl)cc2OC[C@H]1N1CCCC1 426387868 MXJUJXRYQBKQMP-IEBWSBKVSA-N 347.817 4.036 0 50 EIAA CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c(O)n1 426493097 DQKLLNVGKHPLBC-KRWDZBQOSA-N 338.451 4.176 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1 480065592 FSJLMTSPAJGRJV-OAHLLOKOSA-N 336.435 4.169 0 50 EIAA Cc1ccc2nc([C@H](NC(=O)c3cccn3C3CC3)C(C)C)[nH]c2c1 670437124 HJPCOFSTEAWXJX-GOSISDBHSA-N 336.439 4.135 0 50 EIAA COCc1ccnc(NC(=O)N2CC3(CC=CC3)[C@H]2c2ccccc2)c1 931833186 ZKVRRYIRSBPMBQ-LJQANCHMSA-N 349.434 4.153 0 50 EIAA C[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1F)C1CCC(F)(F)CC1 1775984736 IUWOKZWMFGUHMW-LYRGGWFBSA-N 340.389 4.135 0 50 EIAA CCc1cc2c(N[C@H](c3nccc(C)n3)C3CC3)nc(C)nc2s1 1775994676 NTDINFLCMPYNCU-HNNXBMFYSA-N 339.468 4.224 0 50 EIAA Cc1cc(F)cc([C@H](C)NC[C@](C)(Cc2ccccc2)[C@H](C)O)c1 1875334658 YAAKWNBPKNBFBY-FIKGOQFSSA-N 329.459 4.415 0 50 EIAA CC1(C)C[C@H]([C@@H](CC(=O)N2CCCC2)Cc2ccccc2)CCO1 209090 DOBZPVKBUDODLJ-RTBURBONSA-N 329.484 4.063 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)o1 2532416 AAWMBROGCMAZMI-UHFFFAOYSA-N 329.208 4.022 0 50 EIAA COc1cc(C(=O)Nc2ccccc2SC)ccc1OC(F)F 2796962 SVBASRFRNXPFHW-UHFFFAOYSA-N 339.363 4.271 0 50 EIAA C(=C/c1nn2c(CCc3ccccc3)nnc2s1)\c1ccccc1 4850781 WJUNJCMVSMNTFV-WYMLVPIESA-N 332.432 4.141 0 50 EIAA CCCCC(=O)Nc1cc(C)c(O)c(-c2nc3ncccc3o2)c1 7505088 MXNFHJAKVGOHRD-UHFFFAOYSA-N 325.368 4.033 0 50 EIAA Cc1ccc(-c2n[nH]cc2CN(C)CC[C@@H]2CCCCO2)cc1C 11663768 XMWAPFUIXRKGLC-IBGZPJMESA-N 327.472 4.085 0 50 EIAA CSCCCN1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 12432787 VIVXTILINCRPEU-KRWDZBQOSA-N 335.513 4.122 0 50 EIAA O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1C[C@H]1CCCO1 12517387 RNHVANYOFSTJSF-ACJLOTCBSA-N 342.826 4.086 0 50 EIAA Clc1cc(Cl)c2c(c1)C=C1CCCC[C@]1(N1CCOCC1)O2 19770713 COSRWYZDVXYLOJ-KRWDZBQOSA-N 340.250 4.372 0 50 EIAA COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](C)[C@@H]2C)ccc1O 34646124 TZAAYUCUPIYQBR-JGRMJRGVSA-N 328.408 4.075 0 50 EIAA biogenic,in-vitro CCN(C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12)C1CC1 67843398 QEGNKFYDQAUYGQ-UHFFFAOYSA-N 345.855 4.341 0 50 EIAA CCCCCc1ccc(NC(=O)N2CCC[C@H]2c2nc(C)n[nH]2)cc1 97745150 AAOQKXUXMCZJGS-KRWDZBQOSA-N 341.459 4.215 0 50 EIAA COc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1Cl 111942102 VKHGJRDJIBTMII-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA COc1ccc2nc(CN3CCC[C@@H](c4nccs4)C3)sc2c1 186910163 DGBASDKAAHXSII-GFCCVEGCSA-N 345.493 4.141 0 50 EIAA CC(F)(F)c1cccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)c1 187011328 CXQMFCFOXZFINS-DOMZBBRYSA-N 340.414 4.371 0 50 EIAA Fc1ccccc1CN1CC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)C[C@@H]21 213208968 AEMFAUOVPSOGLJ-KNQAVFIVSA-N 349.453 4.013 0 50 EIAA Cc1oc2ncnc(NC(=O)c3ccc(C(F)(F)F)cc3)c2c1C 225398380 NWNAERIFBKIXHS-UHFFFAOYSA-N 335.285 4.111 0 50 EIAA O=C1CCCc2occ(C(=O)N3C[C@@H](c4ccccc4)C4(CCC4)C3)c21 334013859 XLWGKQCIKKESGP-KRWDZBQOSA-N 349.430 4.209 0 50 EIAA O=C(c1onc2c1CCCC2)N1CCCC[C@@H]1c1ccc(F)cc1 426649688 NVNGOXUNUOUIFA-QGZVFWFLSA-N 328.387 4.060 0 50 EIAA O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)C1[C@H]2CCC[C@H]12 480528161 OBERLKIETFLNQH-XXXFQYIFSA-N 343.470 4.446 0 50 EIAA Cc1cccc(CN(C(=O)CCc2ccnn2C)C2CCCCC2)c1 952984314 ZRPHSPAUYTWDHG-UHFFFAOYSA-N 339.483 4.023 0 50 EIAA C[C@@H](C[C@H]1CCOC1)Sc1nnc(-c2c[nH]c3ccccc23)o1 1775990172 DDNPIZIDIFLPIJ-NWDGAFQWSA-N 329.425 4.125 0 50 EIAA O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccccc1 450536 GCPZDBLRLGVPCD-UHFFFAOYSA-N 331.331 4.249 0 50 EIAA Cc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)nc(N)c12 451279 TUTAVQRNEOKAHD-UHFFFAOYSA-N 345.427 4.480 0 50 EIAA CC[C@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)c1ccccc1 1456543 CVBBTBMWVMHGNS-FQEVSTJZSA-N 336.479 4.146 0 50 EIAA COc1cccc(OCCOc2ccc(Cl)c3cccnc23)c1 2862844 IBTADYYQDADMQH-UHFFFAOYSA-N 329.783 4.355 0 50 EIAA CCOC(=O)C[C@H](NC(=O)c1ccccc1C)c1ccccc1Cl 3627307 XGSIMTSKONAKOZ-KRWDZBQOSA-N 345.826 4.073 0 50 EIAA CCOC(=O)c1cc(CC)sc1NC(=O)/C=C/c1ccccc1 4815389 UOSKZNGUTMIADD-ZHACJKMWSA-N 329.421 4.139 0 50 EIAA O=S(=O)(Cc1ccccc1F)Nc1cccc(Cl)c1Cl 16578149 INSKCQULOQINFT-UHFFFAOYSA-N 334.199 4.074 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 40450013 JOLUJGJHYSSPCF-OAQYLSRUSA-N 344.499 4.300 0 50 EIAA CC(C)Nc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1 67754351 GOHXTJANVPDENJ-GOSISDBHSA-N 337.467 4.312 0 50 EIAA COc1ccc(F)c(CN(C)[C@@H](C)c2c(C)n[nH]c2C)c1Cl 67880059 JHXMJTQXNLWUTF-NSHDSACASA-N 325.815 4.021 0 50 EIAA Cc1[nH]c2ccc(CNC(=O)c3ccccc3-c3ncc[nH]3)cc2c1C 71613915 UZTVEDFUGOQFQT-UHFFFAOYSA-N 344.418 4.105 0 50 EIAA Cc1ccnc([C@@H](Nc2nccc(CCC(F)(F)F)n2)C2CC2)c1 71751560 LSKSVSOYZLJKTP-HNNXBMFYSA-N 336.361 4.238 0 50 EIAA Cc1ncsc1CCC(=O)N1CCCC[C@H]1c1cccc(F)c1 77386149 ULRSYRIREAATKP-INIZCTEOSA-N 332.444 4.277 0 50 EIAA Cc1ccc2[nH]c(C(=O)N3CC[C@H](Cc4ccccc4)C3)c(C)c2c1 92047066 UMJASCPPICSAJR-GOSISDBHSA-N 332.447 4.490 0 50 EIAA Cc1cc(NC(=O)NCCC2=CCCCC2)ccc1N1CCCC1=O 97698686 WFFJHFFKEBTAQO-UHFFFAOYSA-N 341.455 4.134 0 50 EIAA CCOc1cccc([C@H](C)Nc2cccc(N3CCCNC3=O)c2)c1 170592797 WLDBDZMBENLGMQ-HNNXBMFYSA-N 339.439 4.178 0 50 EIAA c1ccc([C@@H]2C[C@H]2Sc2nnc(C3CC3)n2Cc2ccco2)cc1 170598595 NOGGOYIMPGMKMK-DLBZAZTESA-N 337.448 4.445 0 50 EIAA CCC(CC)n1nc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1C 184684671 FZOXVGIJVRDULO-UHFFFAOYSA-N 337.467 4.240 0 50 EIAA Cc1ccc(SCCCN(C)C(=O)c2cc(C)nc(C)c2)cc1 215936183 UFXWCPOMJFTBAR-UHFFFAOYSA-N 328.481 4.261 0 50 EIAA O=C(Nc1ccc(Br)cn1)Oc1ccc(Cl)cc1 242498796 BTNOKOKMPOMELE-UHFFFAOYSA-N 327.565 4.108 0 50 EIAA CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C)c1C 245326509 KYPBUMIKKBOXAK-UAGQMJEPSA-N 329.440 4.166 0 50 EIAA c1ccc2c(c1)OC[C@@H]2CNCc1cnc(C2CCCCC2)s1 952845977 XHGBHJFAXOLKSW-HNNXBMFYSA-N 328.481 4.457 0 50 EIAA CCc1ccc(-c2n[nH]c(SCC(=O)c3cccc(F)c3)n2)cc1 952874677 XDNOWZBEZOHZFB-UHFFFAOYSA-N 341.411 4.148 0 50 EIAA CCOC[C@H]1CCCN1C(=O)C1(Nc2ccc(C)cc2)CCCCC1 1506397713 WSKOJFPGEMVQGL-LJQANCHMSA-N 344.499 4.137 0 50 EIAA CCOc1ccc(CC(=O)Nc2ccnn2[C@@H](C)c2ccccc2)cc1 1529189844 ALLRKXJVMGVIBG-INIZCTEOSA-N 349.434 4.072 0 50 EIAA Cc1ccc([C@]2(C)CC(C)(C)N3C(=O)C(=O)c4cc(C)cc2c43)cc1 1738810566 KNCBTDVBPNKTBH-QFIPXVFZSA-N 333.431 4.321 0 50 EIAA Cc1cnc(N(C)C(=O)c2ccncc2N[C@@H]2CCC(C)(C)C2)s1 1875405796 ORCCBUYWFNSFEZ-CYBMUJFWSA-N 344.484 4.114 0 50 EIAA COc1cc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)cc(OC)c1O 276286 GJUFSXOBEOSZIF-MRXNPFEDSA-N 349.386 4.302 0 50 EIAA O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ncccc3o2)c1 277264 YIHCAFSMEGLULR-CMDGGOBGSA-N 331.331 4.135 0 50 EIAA O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccs1 440255 VXEFOKJKKJMUKV-UHFFFAOYSA-N 328.418 4.314 0 50 EIAA Oc1cc(OCc2cccc(C(F)(F)F)c2)ccc1-c1cc[nH]n1 1402223 CIQZYAIUOPAMHV-UHFFFAOYSA-N 334.297 4.380 0 50 EIAA O=C(O[C@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1ccccc1 1406530 SOHOEVQNGGLRPU-GRTQGXPSSA-N 337.394 4.118 0 50 EIAA CCCCc1cc(=O)oc2c(C)c(O[C@@H]3CCCCC3=O)ccc12 2204690 OURGENADILWNDO-GOSISDBHSA-N 328.408 4.335 0 50 EIAA Cc1ccccc1Cn1nc(C)c(NC(=O)C2CCCCC2)c1C 2760249 ZRMZLIZUDDYDQT-UHFFFAOYSA-N 325.456 4.375 0 50 EIAA CCCCOc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 2989626 ILZICKMKYVHDLH-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA CCCCOc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 2998581 UHUJELKFFKSHTR-UHFFFAOYSA-N 329.396 4.135 0 50 EIAA COc1ccccc1Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 4412643 LSMXTIRUEKAOPB-HNNXBMFYSA-N 345.402 4.142 0 50 EIAA C[C@H](NC(=O)CCc1ccccc1)c1ccc(Br)cc1 4868615 GYTZYMZDVPYUST-ZDUSSCGKSA-N 332.241 4.259 0 50 EIAA CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 6215046 ATVKKVDUMSXPLG-UHFFFAOYSA-N 328.437 4.228 0 50 EIAA CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10335053 CWOXFLIEIKARDT-UHFFFAOYSA-N 338.451 4.324 0 50 EIAA Cc1cccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)n1 12206985 AYBYXNMCZRGXGZ-INIZCTEOSA-N 342.870 4.447 0 50 EIAA c1ccc(-c2cc(-c3nn4cnnc4s3)c3ccccc3n2)cc1 12391378 FRBJKUJYZRTTAL-UHFFFAOYSA-N 329.388 4.068 0 50 EIAA CC(C)c1cc(C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)[nH]n1 67841664 HOPGVKMXEJYXHN-UHFFFAOYSA-N 342.468 4.096 0 50 EIAA CN(C)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)CC1 72478634 KESSECKHIYOSHN-QGZVFWFLSA-N 338.451 4.035 0 50 EIAA CC(C)(O)c1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 170090166 ZDKBFXDORCTWBG-UHFFFAOYSA-N 342.826 4.161 0 50 EIAA O=C(C1CC=CC1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 186282568 CXOVSOYJAPUORA-OAHLLOKOSA-N 338.220 4.218 0 50 EIAA COCC[C@@H]1CCCN(C(=O)c2cccc(-c3ccccc3F)c2)C1 219297078 SDFRJWKTBSTPCN-INIZCTEOSA-N 341.426 4.381 0 50 EIAA CC(C)Cc1ccccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 252488783 IYWOFCFEJCRVBO-UHFFFAOYSA-N 336.435 4.030 0 50 EIAA O=C(Nc1cccc(CN2CCCCC2)c1)N[C@@H]1C[C@H]1c1ccccc1 299791307 CWEIKODHBCQVLF-LEWJYISDSA-N 349.478 4.350 0 50 EIAA Cc1ccc2nc([C@H](NC(=O)N(C)CC3CCC3)C(C)C)[nH]c2c1 426719828 IMRKHXLRSNXSRG-QGZVFWFLSA-N 328.460 4.010 0 50 EIAA Cc1ccnc(CNC(=O)N2CCCC[C@@H]2CCc2ccccc2)c1 458837314 WVKXBXXSSORUSS-HXUWFJFHSA-N 337.467 4.087 0 50 EIAA Cc1ccc(CCC(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)cc1 828065403 IOXUSZMSSVEWEB-MRXNPFEDSA-N 336.435 4.082 0 50 EIAA CCCSCc1nnc2sc(-c3cc4ccccc4o3)nn12 1776110973 CXHVBDCWNSKTJR-UHFFFAOYSA-N 330.438 4.242 0 50 EIAA C[C@H]1CCC2(CC2)N(C(=O)c2ccc(-c3ccccc3CN)cc2)C1 1875304721 RQTWZRJFSCVNJE-INIZCTEOSA-N 334.463 4.217 0 50 EIAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1Nc1ccccc1 207905 LFBDRDBSOCWZDH-HOTGVXAUSA-N 338.407 4.260 0 50 EIAA Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 456618 FHHYTZRMCSGONZ-UHFFFAOYSA-N 342.464 4.125 0 50 EIAA CC(C)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 466164 CVQLOVVOQDJIOJ-UHFFFAOYSA-N 339.258 4.091 0 50 EIAA O=C(Cc1cccs1)Nc1nnc(SCc2ccccc2)s1 621724 KJESADKHWXCONQ-UHFFFAOYSA-N 347.490 4.073 0 50 EIAA Cc1ccc(C)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 2079309 USPMNARKUQMTKJ-UHFFFAOYSA-N 331.220 4.378 0 50 EIAA S=C(c1ccc(OCCOc2ccccc2)cc1)N1CCCCC1 2845827 DZJXPDOBWZNDQU-UHFFFAOYSA-N 341.476 4.306 0 50 EIAA O=[S@](CCSc1nc2ccccc2s1)Cc1ccccc1 4144124 ROKMRFAJWFSTNB-NRFANRHFSA-N 333.503 4.337 0 50 EIAA O=C(Nc1nccs1)c1cccc(-c2cc3ccccc3oc2=O)c1 4841570 QCSMFHBJLKLJSD-UHFFFAOYSA-N 348.383 4.169 0 50 EIAA O=C(COc1ccccc1)Nc1ccc(C(F)(F)F)cc1Cl 4869039 AOUOLBSHBPEUGL-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA Cc1cccc2c(C(=O)Nc3ccncc3)cc(-c3cccnc3)nc12 6789533 TZPIUWHRKKKKQA-UHFFFAOYSA-N 340.386 4.253 0 50 EIAA COc1ccc2c(c1)O[C@@H](C)CN(Cc1ccc(SC)cc1)C2 11910186 QCRCNJJXQPNRJO-AWEZNQCLSA-N 329.465 4.200 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)N3CCC[C@@H](CCCO)C3)c(C)c2c1 12058392 UMIBJQWESSRFNZ-AWEZNQCLSA-N 349.858 4.328 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c(OC)c1 36620815 ATXBRXMFFBGCBD-QGZVFWFLSA-N 344.386 4.212 0 50 EIAA Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccnc3)C2)cc1 67880814 HONGZFVMIKOHBP-IBGZPJMESA-N 332.451 4.160 0 50 EIAA c1cn(-c2ccc3c(c2)OCO3)c(-c2ccc([C@H]3CCCO3)s2)n1 67947856 GLJORPYVVSLZAX-CQSZACIVSA-N 340.404 4.181 0 50 EIAA CSc1ccc2nc(N3CCC([C@H](C)N(C)C)CC3)cc(C)c2c1 96163217 WBIUOLSHVLRTHB-HNNXBMFYSA-N 343.540 4.432 0 50 EIAA C[C@@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 112040357 JVKPHYKYPBKHNU-INIZCTEOSA-N 348.446 4.413 0 50 EIAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(O)c1F 129449531 ANPVGRLFZSNYRR-LBPRGKRZSA-N 331.387 4.235 0 50 EIAA COc1ccccc1C(=O)N(C)c1nc2c(Cl)cccc2s1 170617651 SHJQDWRMRKEDEX-UHFFFAOYSA-N 332.812 4.235 0 50 EIAA O=C(c1cc[nH]c1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 175511544 VNKCLPVIPJGVBM-CYBMUJFWSA-N 339.222 4.005 0 50 EIAA CCN(Cc1ccc([C@H]2CCCCO2)s1)Cc1c(C)nn(C)c1C 215958269 VKCHLEFHUKMDDL-GOSISDBHSA-N 347.528 4.362 0 50 EIAA Cc1nc([C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)no1 253433188 SYZBYJDISOKIEO-ZETCQYMHSA-N 340.330 4.193 0 50 EIAA Cc1cc(C)nc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 282938125 IMNSSVZVPQXHMP-CYBMUJFWSA-N 341.377 4.285 0 50 EIAA COCCN(Cc1ccsc1)Cc1cc2cc(C)ccc2n1C 824405407 CRCZMTKUZXOVIK-UHFFFAOYSA-N 328.481 4.197 0 50 EIAA Cc1cccc(-c2ncc(CN3CCC[C@@H]3c3cccnc3)cn2)c1 825224762 DZVLSFMVAOMOAN-HXUWFJFHSA-N 330.435 4.184 0 50 EIAA CC(C)c1cc(C(=O)N(C(C)C)[C@H]2CCCc3cccnc32)on1 952845064 SHXBRGOMULTUFZ-INIZCTEOSA-N 327.428 4.121 0 50 EIAA CC(=O)Nc1ccc(C)cc1NC(=O)c1cc2cccc(C)c2n1C 952989376 UBCPKLFUUXOVGA-UHFFFAOYSA-N 335.407 4.006 0 50 EIAA CCO[C@H]1COC[C@@H]1n1ccnc1-c1ccc2c(c1)Cc1ccccc1-2 1857675462 ACNMRAZDUNNZSH-SFTDATJTSA-N 346.430 4.098 0 50 EIAA c1ccc(SCCCc2nc(-c3ccn4cncc4c3)no2)cc1 2325750206 XZLXCFFJHUZMFI-UHFFFAOYSA-N 336.420 4.109 0 50 EIAA CN(Cc1ccc(Br)cc1)c1cc(O)nc2ccccc12 2325825039 ATYWLOILNKCCRD-UHFFFAOYSA-N 343.224 4.339 0 50 EIAA O=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1 106345 PPEXQJAGOHHQOR-UHFFFAOYSA-N 329.359 4.071 0 50 EIAA Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 441623 PGCULNYMDLOJPI-GFCCVEGCSA-N 338.234 4.386 0 50 EIAA CC(=O)c1cccc(NC(=S)NC(=O)c2cccc3ccccc23)c1 455001 IBIGDOYFUFVUNR-UHFFFAOYSA-N 348.427 4.169 0 50 EIAA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 459008 OSPGLDHZBFALNV-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 533497 FTRGKXDQXIEDQM-HNNXBMFYSA-N 336.387 4.368 0 50 EIAA O=C(NCc1ccc(F)cc1)c1cc(-c2ccccc2Cl)on1 1126439 PNCQUAFKJIKVMI-UHFFFAOYSA-N 330.746 4.064 0 50 EIAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1 2053724 YLSIQDQNVLDDFT-UHFFFAOYSA-N 342.464 4.301 0 50 EIAA CCCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C)c1C 2102775 NFVPXRCNUNFQNT-UHFFFAOYSA-N 331.437 4.492 0 50 EIAA O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)OCO3 4866332 QEHOYJBMHNOLTA-JTQLQIEISA-N 336.174 4.196 0 50 EIAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 11789667 BTCAZSBHECJVBP-QGZVFWFLSA-N 336.483 4.469 0 50 EIAA CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(C)c(Cl)c1 11903308 DGVCKNFXEMPJDG-CQSZACIVSA-N 335.860 4.256 0 50 EIAA CSc1ccc2cc(CNC[C@@H](C)O)c(-c3cccs3)nc2c1 12056836 QUIHLEWJYYSWAN-GFCCVEGCSA-N 344.505 4.156 0 50 EIAA Cc1ncc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)s1 12474409 KCPSVMFGWGPOMD-UHFFFAOYSA-N 343.496 4.082 0 50 EIAA O=c1cc(O)c2sc3nc4c(c(-c5ccccc5)c3c2[nH]1)CCCC4 39932547 VTDNPWKZDWSDGD-UHFFFAOYSA-N 348.427 4.389 0 50 EIAA CCN(C(=O)c1cc2cc(C)ccc2nc1C)[C@@H]1CCOC(C)(C)C1 55254098 JBMLNYKYIGQIDM-QGZVFWFLSA-N 340.467 4.271 0 50 EIAA c1cncc(-c2cn(C3CCN(C4CCCCCCC4)CC3)nn2)c1 63848841 KREHLNATBJXMMF-UHFFFAOYSA-N 339.487 4.090 0 50 EIAA Cc1ncnc(NCc2cccnc2Oc2ccc(F)c(F)c2)c1C 67805699 MMVUSBJKVYFFDG-UHFFFAOYSA-N 342.349 4.171 0 50 EIAA Cc1ccc(C)c(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCC4)[C@H]3C2=O)c1 101838855 FTDFAQZXFNEJEE-CPLUKWAASA-N 333.431 4.095 0 50 EIAA Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 117149878 JCNBBRKFVJOINT-GGPKGHCWSA-N 337.419 4.080 0 50 EIAA O=c1ccnc(/C(=C\c2ccc(Cl)c(F)c2)Cc2ccccc2)[nH]1 170612944 ZSDTTWVVPMWHMM-PTNGSMBKSA-N 340.785 4.346 0 50 EIAA O=C(CCc1ccccn1)N1Cc2ccccc2C[C@@H]1c1ccccc1 174648560 UQKYSFMVAKVGBF-JOCHJYFZSA-N 342.442 4.340 0 50 EIAA O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc(C2CCCCC2)no1 193167508 DEPPCURHJLMLOE-QGZVFWFLSA-N 339.439 4.024 0 50 EIAA Cc1c(Br)ccc(I)c1Cl 221443795 ONVJQGQREQCKKJ-UHFFFAOYSA-N 331.378 4.016 0 50 EIAA C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cn1 225551919 REGRFAAJAQGOST-ZWNOBZJWSA-N 344.381 4.049 0 50 EIAA O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@H]1c1ccncc1 247797101 CZNMJPQFBVTUFJ-KURKYZTESA-N 326.827 4.202 0 50 EIAA CN(Cc1cccs1)C(=O)c1ccc(CN2CCCCC2)cc1 274250120 XBUSTSSBNHKACA-UHFFFAOYSA-N 328.481 4.006 0 50 EIAA C[C@@H](O)c1cnc(-c2ccc(-c3cccc(C(=O)O)c3)cc2)s1 844206222 ZJNGMUQBRVFYRI-LLVKDONJSA-N 325.389 4.229 0 50 EIAA CC(C)c1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c(O)n1 934374751 NMGGHYWCEPRPAO-AWEZNQCLSA-N 344.377 4.152 0 50 EIAA Cc1ccnc(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1354969554 LGYRNYHUCAZEEE-LSDHHAIUSA-N 332.350 4.042 0 50 EIAA CC[C@@H]1C[C@H](n2ccnc2-c2cccc(OC(F)(F)F)c2)CCN1 1857731161 MCLDNDIUAYVDHX-ZIAGYGMSSA-N 339.361 4.152 0 50 EIAA COc1cc(C(=O)N[C@]2(C)CC[C@@H](C)C2)ccc1OC1CCCC1 1875356177 IIUGQQFTGVQURN-JLTOFOAXSA-N 331.456 4.325 0 50 EIAA Cc1csc(/C=C/C(=O)Nc2ccc(Oc3ccncc3)cc2)n1 2325747742 IGYOBUYJDDDKRS-VOTSOKGWSA-N 337.404 4.291 0 50 EIAA Cc1cc(N[C@H](C)c2ccc(-n3cncn3)cc2)c2ccc(O)cc2n1 2325872185 LKVCYJSZCLMSHQ-CQSZACIVSA-N 345.406 4.003 0 50 EIAA CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 48078 WIELOPPOHTVXTM-UHFFFAOYSA-N 341.407 4.004 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCOCC1 56324 HBLSSUBOZZILQD-UHFFFAOYSA-N 349.352 4.392 0 50 EIAA CC(=O)c1ccc(N2CCN(C[C@@H](C)CCC=C(C)C)CC2)cc1 216301 LEMKHULUOQCJCB-SFHVURJKSA-N 328.500 4.394 0 50 EIAA CC(C)COc1ccc(CC(=O)NCc2ccccc2)cc1Cl 258223 RVFHAXHGIRWVMY-UHFFFAOYSA-N 331.843 4.234 0 50 EIAA Cc1ccccc1NC(=S)N1CCN(c2ccccc2Cl)CC1 271933 FBDXJTMJDJGBLQ-UHFFFAOYSA-N 345.899 4.167 0 50 EIAA O=c1c2cc(Cl)ccc2ncn1Cc1ccc(Cl)c(Cl)c1 390087 ZSWRVEFFFGHLBC-UHFFFAOYSA-N 339.609 4.405 0 50 EIAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1noc2c1CCCCC2 426576 PQEQGYHNRPSIEI-UHFFFAOYSA-N 340.301 4.094 0 50 EIAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2Cl)c1 454430 LOHNMYUERXTUHZ-UHFFFAOYSA-N 348.855 4.254 0 50 EIAA Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)c(C)c1 4015846 JYCRFHOUJNWOOZ-TZRIAGMCSA-N 335.447 4.319 0 50 EIAA CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)c(C)c1 4310984 KIDCKXHFAZDGNI-UHFFFAOYSA-N 334.419 4.006 0 50 EIAA O=C(O)CC/C(=C\c1cccc(O)c1)c1nc2ccccc2s1 7141208 QVUIHLRLVUWZMV-JLHYYAGUSA-N 325.389 4.407 0 50 EIAA CCN(C(=O)C1CCCCC1)[C@H](C)c1nc(-c2ccccc2)no1 10537069 OGLLTDFSZWFHGM-CQSZACIVSA-N 327.428 4.226 0 50 EIAA CC(=O)c1cccc(Nc2nc(N3CCCC3)c3ccccc3n2)c1 41148156 PGBMBAJVIFKAPL-UHFFFAOYSA-N 332.407 4.176 0 50 EIAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1c(F)cccc1Cl 46501370 WOEYIVVAWKCOJP-AWEZNQCLSA-N 349.789 4.289 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N(C)Cc3cc(C(C)C)no3)[nH]c12 91691682 HMDBCJAVGJMYRH-UHFFFAOYSA-N 339.439 4.477 0 50 EIAA CCCSc1ccc(NC(=O)N(C)Cc2nccn2CC)cc1 96160354 SJRSVNPJQGPGIV-UHFFFAOYSA-N 332.473 4.069 0 50 EIAA COc1cccc2cc([C@H](C)Nc3cccc(C[S@@](C)=O)c3)oc12 170592775 JHZINDINNQXVGC-RKNYENMMSA-N 343.448 4.493 0 50 EIAA COc1cccc(Cl)c1C(=O)Nc1nc(-c2ccccc2)ns1 225414640 UOQBEADSSSSOIW-UHFFFAOYSA-N 345.811 4.119 0 50 EIAA CC(C)[C@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)CCS1 225431714 INYCIUFDNWJISO-OAHLLOKOSA-N 347.509 4.415 0 50 EIAA COCc1ncsc1C(=O)Nc1ccc2c(Cl)ccc(C)c2n1 225811777 SWBCGNONSNUAJD-UHFFFAOYSA-N 347.827 4.052 0 50 EIAA COC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](C)C2 239105269 IDNGCYIMAWTMQX-UHXUPSOCSA-N 347.480 4.034 0 50 EIAA CCC(CC)n1ncc(C(=O)N[C@@H]2COc3c(Cl)cccc32)c1C 252550333 SJKHEHFXISNUEY-MRXNPFEDSA-N 347.846 4.070 0 50 EIAA Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C2 252693862 GHWUZZCCPXLMSI-VNZWKAMASA-N 328.500 4.135 0 50 EIAA biogenic CC(=O)N1CCC[C@@H](c2nc(C3(c4ccccc4)CC3)c(C)s2)C1 290023919 XJYRGKBSCFIOOK-MRXNPFEDSA-N 340.492 4.257 0 50 EIAA N=C(O)CN(CCC1CCCCC1)C(=O)[C@@H]1CCCC(F)(F)C1 330382416 OLDDLKRKURCXDW-CQSZACIVSA-N 330.419 4.146 0 50 EIAA CCCC[C@H](NC(=O)COc1ccccc1Cl)c1cccnc1 822830954 ZFVYSKBGCNVPRQ-INIZCTEOSA-N 332.831 4.162 0 50 EIAA CCc1noc(C)c1C(=O)Nc1cc(NC(=O)CC(C)C)ccc1C 823565529 JKGBJJCIBGAXGT-UHFFFAOYSA-N 343.427 4.091 0 50 EIAA O=C(N[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccc(CSc2ccccn2)cc1 828157758 KJNALDKXXJXUSI-BPQIPLTHSA-N 338.476 4.292 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCC4(CC4)C3)[C@@H]2C)cc1F 1875308965 JWXQANQDLPBHBG-FVQBIDKESA-N 331.431 4.119 0 50 EIAA Cc1c(C(=O)O[C@@H]2CCc3c(F)cccc32)nc(O)c2ccccc12 1875359818 QODAMGCPYWHKRH-QGZVFWFLSA-N 337.350 4.232 0 50 EIAA CCOc1ccc(C2(NC[C@H]3CCC4(CCC4)CO3)CCC2)cc1 1875405472 GUJIGIIJFYJPRO-LJQANCHMSA-N 329.484 4.403 0 50 EIAA Cc1cc(F)sc1C(=O)N1CCC[C@@H]1c1cc(F)ccc1F 2325818438 BLAGHXQLTQXWRM-CYBMUJFWSA-N 325.355 4.451 0 50 EIAA CCC1CCC([C@@](C)(O)CNCc2ccc3ncccc3c2)CC1 2325842244 SCIWDWOMRJFGQQ-IOYBJCICSA-N 326.484 4.292 0 50 EIAA O=C1c2ccccc2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 249007 TWSFLJDMCCNHAB-UHFFFAOYSA-N 341.581 4.270 0 50 EIAA CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(O)cc3)nc12 448290 TZPQSGYXPJUXAC-UHFFFAOYSA-N 348.450 4.003 0 50 EIAA COc1ccc(OC)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 452372 BGCJNQSQFSMLBR-QGOAFFKASA-N 349.386 4.476 0 50 EIAA Cc1sc(-c2cccc(C(F)(F)F)c2)nc1OC(=O)C1CC1 1385763 JPRSPAWAJNEUDJ-UHFFFAOYSA-N 327.327 4.453 0 50 EIAA Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 2551995 MMKBUBXLROXDGR-UHFFFAOYSA-N 336.435 4.310 0 50 EIAA COc1ccc(Br)cc1-c1noc(-c2ccccc2)n1 2886041 QCQIQOCVUHFHCT-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1 2984382 VXLQGXWCBGIKGV-UHFFFAOYSA-N 346.427 4.131 0 50 EIAA CC1CCN(CCCCOc2cccc(Br)c2)CC1 3460911 SRSJAHDVWZQQKC-UHFFFAOYSA-N 326.278 4.340 0 50 EIAA CSc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 4843106 JPOVPKVLXDJPTF-CQSZACIVSA-N 348.265 4.449 0 50 EIAA CSc1cccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1 8558684 JMFVQJPFTLJCQD-UHFFFAOYSA-N 343.477 4.324 0 50 EIAA CSc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 9667345 FOLIEAHZKHQPGD-JTQLQIEISA-N 342.489 4.498 0 50 EIAA Cc1cccc(C)c1OCc1cc(C(=O)NCC2CCCCC2)no1 12440059 MRFMPRPHGDCFSU-UHFFFAOYSA-N 342.439 4.181 0 50 EIAA CCc1[nH]c2ccc(CNCc3ccc(F)c(OC)c3)cc2c1C 12596610 GXXPFAWSMMMTSH-UHFFFAOYSA-N 326.415 4.476 0 50 EIAA Oc1cc(-c2ccccn2)cc2c1OCCN(C[C@H]1CC=CCC1)C2 14981277 YZOUFOBQFRXQOQ-INIZCTEOSA-N 336.435 4.005 0 50 EIAA C/C(=C\c1ccccc1)[C@H]1CC(=O)Nc2[nH]nc(-c3cccnc3)c21 65386071 ICZFRGNWVFGFDX-QSOAKEGCSA-N 330.391 4.001 0 50 EIAA COc1ccc(OC)c(Oc2cccc(CN3CCCC3)c2F)c1 67774964 ARFRKZSVWVFSJF-UHFFFAOYSA-N 331.387 4.231 0 50 EIAA Clc1cccnc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72167809 LUZBIYVUYGTHOM-UHFFFAOYSA-N 335.798 4.285 0 50 EIAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 156513811 QNUCZLMIWJTLHR-HZPDHXFCSA-N 349.459 4.280 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257357385 NTIDOCUQWIFRTK-LXLNTTORSA-N 334.500 4.179 0 50 EIAA C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)Cc2cccnc2)C1 822416772 JFJUDOBHPXCUMD-CQSZACIVSA-N 343.858 4.153 0 50 EIAA O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccccc1 70192 SELRREFXULUALP-UHFFFAOYSA-N 342.354 4.107 0 50 EIAA CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 181475 FOPRQQCECIMJTG-UHFFFAOYSA-N 342.489 4.356 0 50 EIAA FC(F)(F)c1cc(-c2cccs2)nc(NCc2cccnc2)n1 213304 RPFJVIDKDUQOND-UHFFFAOYSA-N 336.342 4.231 0 50 EIAA COC(=O)c1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 310969 UUFIOPQHDRCUCM-GOSISDBHSA-N 331.371 4.101 0 50 EIAA C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)C1 452287 UUPIJNVUGBXMOQ-QMMMGPOBSA-N 342.675 4.067 0 50 EIAA S=C(NCc1cccnc1)Nc1ccc(Nc2ccccc2)cc1 534851 JTMBWMSNMAKSKN-UHFFFAOYSA-N 334.448 4.312 0 50 EIAA COc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1OC 611939 CAUKCSZSERRMAN-MRXNPFEDSA-N 342.464 4.068 0 50 EIAA Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1 2151825 UMVZSFNFQNVLAC-UHFFFAOYSA-N 337.448 4.318 0 50 EIAA C[C@H]1CCC[C@H](C)N1CCCNC(=O)c1csc2c1CCCCC2 5070466 DRXWSZZXLAXBAT-HOTGVXAUSA-N 348.556 4.400 0 50 EIAA CN(Cc1nc(-c2cccs2)no1)[C@H]1CCCc2ccccc21 12715786 BTHGQLVYPPMODL-HNNXBMFYSA-N 325.437 4.308 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)C[C@@H]2C)cc1 13320317 IGQINDVIZBAPQK-INIZCTEOSA-N 341.430 4.185 0 50 EIAA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)NC1CCCC1 13331636 JBDOUANGOHXJSL-UHFFFAOYSA-N 346.862 4.266 0 50 EIAA CCc1ccc(CN2CCN(Cc3ccc(SC)cc3)CC2)cc1 19842329 MDFLWFCFFITZCN-UHFFFAOYSA-N 340.536 4.289 0 50 EIAA Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)nn1 72437979 FPCNOGQKCUIGAT-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H](c2ncc[nH]2)C1 75555954 XWIATFINYPKAGL-KRWDZBQOSA-N 347.418 4.222 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@H]3c3cc(C)on3)c2c1 77355437 IDDQCBJOHORKLY-IBGZPJMESA-N 349.434 4.434 0 50 EIAA C[C@H]1CCN(Cc2nc(-c3cccnc3)no2)c2ccccc2S1 120490303 JJDKVGPBPWFMSL-ZDUSSCGKSA-N 338.436 4.023 0 50 EIAA CC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)nc1 131004273 DDPZUBQXWFVKMM-UHFFFAOYSA-N 340.379 4.404 0 50 EIAA CC(C)N1CCC[C@@H](SCc2ncc(Cl)cc2Cl)C1=O 180541452 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4.054 0 50 EIAA COc1ccc(C)cc1N1CCCN(c2cc(C)ccc2OC)C1=O 45040 BHFLLKKPCKQLOU-UHFFFAOYSA-N 340.423 4.157 0 50 EIAA COc1ccc(Br)cc1C(=O)Nc1ccc(C)c(C)c1 447761 XGLOTNGXVMCNOK-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA CC(C)(C)C(=O)COC(=O)c1ccc(CNc2ccccc2)cc1 460767 ASMAVZNKUNWUSX-UHFFFAOYSA-N 325.408 4.071 0 50 EIAA CC1(C)CC(=O)c2cnc(NC(=O)c3cccc4ccccc34)nc2C1 534437 BRJFYIAMJRMJHP-UHFFFAOYSA-N 345.402 4.037 0 50 EIAA O=c1c2ccccc2ncn1CCCOc1c(Cl)cccc1Cl 2862831 JKIWYMFNKXOQDP-UHFFFAOYSA-N 349.217 4.172 0 50 EIAA Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C 2886299 KHUSZUDYRREQEA-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA O=c1c2ccccc2ncn1CCCSc1ccc(Cl)cc1 3000538 WBTFXNQZJDGMPM-UHFFFAOYSA-N 330.840 4.232 0 50 EIAA Cc1c(C(=O)OC(C)C)oc2c1C(=O)C[C@H](c1ccccc1F)C2 4520073 UENGLNVUJHUYEW-LBPRGKRZSA-N 330.355 4.205 0 50 EIAA CC(C)(C)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)no1 12381586 AFBHTBSPASAOGR-UHFFFAOYSA-N 343.210 4.296 0 50 EIAA CC(C)CCNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 12593619 UDSHPVIQIFRAKS-GOSISDBHSA-N 339.435 4.100 0 50 EIAA Cc1ccccc1CN1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 12761750 LDFGEXFIRVWMMU-OAQYLSRUSA-N 343.898 4.466 0 50 EIAA CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C)s1 16606003 UDNNGURQBZILJT-UHFFFAOYSA-N 327.409 4.230 0 50 EIAA Cc1ccc(CN2CCC(C(=O)NC(C(C)C)C(C)C)CC2)cc1 16607548 KQYLIQPQZJZARF-UHFFFAOYSA-N 330.516 4.004 0 50 EIAA Fc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1Cl 57354901 NIDXGZXAMUSPLV-UHFFFAOYSA-N 346.789 4.303 0 50 EIAA CCCO[C@H]1CCCN(C(=O)Nc2cc(C)c(Cl)cc2OC)C1 62649116 YVVCKQNMPPWGMF-ZDUSSCGKSA-N 340.851 4.080 0 50 EIAA Cn1ccnc1-c1nccn1Cc1csc2ccc(Cl)cc12 72433526 DDVAMDZOAHSLOI-UHFFFAOYSA-N 328.828 4.200 0 50 EIAA Cc1cc(C(=O)N2CC(Oc3ccccc3)C2)c2ccc(C)c(C)c2n1 77319235 BXSXBGYIAKGVHR-UHFFFAOYSA-N 346.430 4.063 0 50 EIAA CN(C)c1ccccc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 77504128 ODXKOSCGVLVDPP-SFHVURJKSA-N 326.415 4.259 0 50 EIAA CCO[C@@H](C)c1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1 97604209 NPFAUGNLGUGTFC-INIZCTEOSA-N 338.451 4.472 0 50 EIAA Cc1ncsc1CCN(C)C(=O)[C@H](c1ccccc1)C1CCCC1 215108788 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4.416 0 50 EIAA CC[C@]1(O)CCC[C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]21 2356148896 ZHBHRULJVTXFQW-UAGQMJEPSA-N 327.390 4.078 0 50 EIAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C)c(C)c1 361391 LROYBKRTIWCFGX-UHFFFAOYSA-N 348.855 4.092 0 50 EIAA CCN(C(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 4810476 SSYUBVPLRSGPFZ-UHFFFAOYSA-N 334.375 4.199 0 50 EIAA CC1(C)CC(NC(=S)Nc2cccc3ccccc23)CC(C)(C)N1 4818747 YNPHGOXZVYZRFM-UHFFFAOYSA-N 341.524 4.435 0 50 EIAA Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1C 11938588 ZACVCRIYQGVGDH-IBGZPJMESA-N 326.415 4.159 0 50 EIAA CCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 19536787 TWFBQVYJVVPGEV-UHFFFAOYSA-N 330.859 4.270 0 50 EIAA CC(C)n1c(CN(C/C=C/c2ccccc2)CCO)nc2ccccc21 55401838 FASJZFBKKNAEOH-DHZHZOJOSA-N 349.478 4.125 0 50 EIAA O=C(NCc1cccnc1Oc1ccccc1)[C@H]1CCc2ccccc21 67446914 LSGGJIMKHNVMPL-FQEVSTJZSA-N 344.414 4.220 0 50 EIAA CN(Cc1cccc2ncccc12)C(=O)CCCOCc1ccccc1 77522813 HUWYWAQPLBCMJH-UHFFFAOYSA-N 348.446 4.190 0 50 EIAA O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCc2cnccc21 118639022 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C[C@@H]1CCCC[C@H]1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 1775971316 NFPIWQGYLSUJCJ-MBOZVWFJSA-N 336.479 4.324 0 50 EIAA CCc1ccc(-c2nc([C@@H]3CCC4(CC4)C3)n(-c3ccn(C)n3)n2)cc1 1875348534 UPJSFTYDHFZUBU-QGZVFWFLSA-N 347.466 4.278 0 50 EIAA Oc1nc(N2CCC[C@H](CCCc3ccccc3)C2)ncc1Cl 2325724081 PTLQYWDQRVONFZ-HNNXBMFYSA-N 331.847 4.075 0 50 EIAA Cc1nc(-c2ccc(OC(=O)/C=C/c3cncs3)c(F)c2)cs1 2325748874 DTWJDYSDTNLETM-HWKANZROSA-N 346.408 4.333 0 50 EIAA O=C(CSCCCn1ccnc1)c1cc2cc(Cl)ccc2[nH]1 2325772645 JSXHNLJMJGAPAO-UHFFFAOYSA-N 333.844 4.024 0 50 EIAA CC(C)(C)c1cnc(C(=O)N2CCC[C@@H]2c2cc(F)ccc2F)o1 2325777489 GRNLNFGUGXCTOK-CQSZACIVSA-N 334.366 4.228 0 50 EIAA CC(C)(O)[C@H](NC(=O)Nc1ccc(F)cc1C1CC1)c1ccccc1 2325794901 WDVPMJBYHPANTI-GOSISDBHSA-N 342.414 4.337 0 50 EIAA Cc1ccc(-c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 121376 JGPMTGXWZTTZRX-UHFFFAOYSA-N 331.415 4.357 0 50 EIAA Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c(C)c1 150372 CONRWDBCPFRZIS-ZDUSSCGKSA-N 348.240 4.472 0 50 EIAA Cc1ccc(OCC(=O)Nc2cccc(Br)c2)c(C)c1 445038 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22018364 IICMWMFSPXWSSV-QGZVFWFLSA-N 338.234 4.246 0 50 EIAA C1=CCN(C2CCN(c3ccc(-c4cscn4)cc3)CC2)CC1 23368752 IGJSENXQIKLRFN-UHFFFAOYSA-N 325.481 4.041 0 50 EIAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)on1 33269980 HQBACURLLNGQCO-CQSZACIVSA-N 341.367 4.023 0 50 EIAA CC[C@@H](C)N(Cc1ccncc1)Cc1ccc(-c2ccn[nH]2)s1 55358208 YMZJFARGYILQHK-CQSZACIVSA-N 326.469 4.334 0 50 EIAA O=C(O)c1ccccc1-c1c(-c2ccccc2)ncn1C[C@H]1CCCO1 65394498 XGTJFANUFSFSNO-MRXNPFEDSA-N 348.402 4.094 0 50 EIAA Cc1cc(F)c2c(c1)CCCN2Cc1csc([C@@H]2CCCO2)n1 136035293 PEOUYKMKQIQRFJ-INIZCTEOSA-N 332.444 4.395 0 50 EIAA C[C@H](CNC(=O)[C@H]1CSc2ccccc21)c1ccc(F)cc1F 174324554 MNZOHXGPNRRYQX-ABAIWWIYSA-N 333.403 4.074 0 50 EIAA CC(=O)N1CCCN(Cc2csc(C(C)(C)C)n2)c2ccccc21 174869982 MTHRESHVXJZQAP-UHFFFAOYSA-N 343.496 4.204 0 50 EIAA CCC[C@](C)(CC)C(=O)Nc1ccc(OCc2nccn2C)cc1 225416403 WPHPJJICQRJWME-IBGZPJMESA-N 329.444 4.154 0 50 EIAA CN(Cc1cccc(C(=O)O)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 263397785 HDNJNNHQUTUYGW-MOPGFXCFSA-N 339.435 4.063 0 50 EIAA CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C(C)=O)o2)o1 331652903 RCODZFLEFPDTRJ-IUODEOHRSA-N 329.396 4.251 0 50 EIAA O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCCc2nc[nH]c21 366816093 BOMJCDLOCGWCIB-OAHLLOKOSA-N 343.858 4.069 0 50 EIAA C[C@H](NCc1ccnn1C1CCCC1)c1ccc(OC(F)F)cc1 449077799 YUFXIHCVBSEMLA-ZDUSSCGKSA-N 335.398 4.450 0 50 EIAA Cc1ccccc1[C@@H](C)c1noc(-c2ccc(P(C)(C)=O)cc2)n1 904024962 JNSJSQMASREKNQ-CQSZACIVSA-N 340.363 4.445 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cccc3cc(C)oc13)C2 1704340388 HZKMGAZZIMETMZ-YLJYHZDGSA-N 327.424 4.163 0 50 EIAA CCc1ccc(-c2cc(NC(=O)[C@H](OC)c3ccccc3)on2)cc1 1875258270 WKLDQOFONXLENP-LJQANCHMSA-N 336.391 4.230 0 50 EIAA Cc1noc2c1c(C(F)(F)F)cc(=O)n2Cc1sccc1Cl 1875332490 VEWOINDUWZSLKB-UHFFFAOYSA-N 348.733 4.080 0 50 EIAA O=C([C@@H]1Cc2ccncc2C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 2325707210 XYSLCRRAXBUOFY-DYESRHJHSA-N 345.446 4.032 0 50 EIAA Cc1ccc(C2CCN(c3cncc(-c4ccc(F)cc4)n3)CC2)cn1 2325731840 URVMASIVPAEOGA-UHFFFAOYSA-N 348.425 4.370 0 50 EIAA Cc1ccc(F)c(C(=O)NCc2cccc3ncsc23)c1Cl 2356156562 HXQLNYXNBMDHRY-UHFFFAOYSA-N 334.803 4.327 0 50 EIAA Cc1cc(C)c(NC(=O)COc2ccccc2Br)c(C)c1 141197 VURJZMLGDIGVRI-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CCOc1ccccc1OCC(=O)Nc1c(C)cc(C)cc1Cl 145287 OPJAVBHGBIVHQT-UHFFFAOYSA-N 333.815 4.373 0 50 EIAA CCOc1ccc(OCC)c(NC(=O)Nc2ccc(OC)cc2)c1 401533 NQOWVJALEGFHBQ-UHFFFAOYSA-N 330.384 4.137 0 50 EIAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccncc2)c2ccccc2)cc1C 461813 QRSYOEGUYLIBNI-OAQYLSRUSA-N 345.398 4.479 0 50 EIAA CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 529184 LELIVFDUMJCPKY-UHFFFAOYSA-N 339.844 4.156 0 50 EIAA O=C1N[C@](c2ccccc2)(C(F)(F)F)SC2=CCCCCN12 3145505 IWJPJJGWCQBIIU-AWEZNQCLSA-N 328.359 4.185 0 50 EIAA COc1cccc(NC(=O)Nc2nnc(-c3ccc(C)cc3)s2)c1 4456247 TXIQWIRHPVHOEH-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA Cc1cccc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)c1 4615215 BVPNDFWJALSJJZ-VAWYXSNFSA-N 328.371 4.458 0 50 EIAA CC(=O)Nc1c(C)ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1C 4717206 UBMUQOIKALRVBB-DOTOQJQBSA-N 328.456 4.439 0 50 EIAA COC(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 5064352 ODCDOLIIUSOBHK-UHFFFAOYSA-N 327.424 4.018 0 50 EIAA Cc1ccccc1CC(=O)Nc1c(F)cc(F)cc1Br 6698855 KKNQHVARUVTLKH-UHFFFAOYSA-N 340.167 4.217 0 50 EIAA CCOC(=O)C1CCN(CCCSc2ccc(Cl)cc2)CC1 6704071 KMHCWJDROUBKMS-UHFFFAOYSA-N 341.904 4.097 0 50 EIAA Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1C 6737002 FOMBJDWLPIFOOW-UHFFFAOYSA-N 349.434 4.404 0 50 EIAA O=C(NCc1ccc2c(c1)OCO2)N(c1ccccc1)c1ccccc1 8714534 FPDLFCAEPYSYAF-UHFFFAOYSA-N 346.386 4.463 0 50 EIAA CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@H]2C 12660501 OPDBPJWZYLLHKS-IQEWSEQYSA-N 344.451 4.141 0 50 EIAA biogenic Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cccnc2)C1 14979758 BTHNGCPSLGVCOF-HXUWFJFHSA-N 336.479 4.194 0 50 EIAA Cc1ccc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 55060411 XRTMGOWYFBOQIC-RMKNXTFCSA-N 349.478 4.166 0 50 EIAA CC(=O)c1c(C)cc(C)c(-c2nccn2C[C@H]2CCCCO2)c1C 71730260 GPROXHZUVMNUIM-QGZVFWFLSA-N 326.440 4.247 0 50 EIAA c1ccc(C2(c3ccccc3)C[C@@H]2CN2CC(c3ccccn3)C2)cc1 72152882 UXKKMGNGWMFCSX-JOCHJYFZSA-N 340.470 4.487 0 50 EIAA CN(Cc1ccc(Oc2ccccc2)cc1)c1nc(CO)cs1 95520765 QMLVULLTOUZXKW-UHFFFAOYSA-N 326.421 4.064 0 50 EIAA CN(C)[C@H]1CCN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)C1 96139878 MACIGAUTVKOLTK-SFHVURJKSA-N 343.858 4.175 0 50 EIAA O=C(Nc1cccc(Oc2cccnn2)c1)c1cc2c(s1)CCC2 155153891 GCZSVPSINUUPFS-UHFFFAOYSA-N 337.404 4.071 0 50 EIAA Cc1n[nH]c2ncc(NC(=O)c3ccc(CCC(F)(F)F)cc3)cc12 161897712 MPZXEQREQZNHPQ-UHFFFAOYSA-N 348.328 4.014 0 50 EIAA C[C@@H](CNc1ncnc2sc3c(c12)CCC3)Oc1ccccc1 170626632 HMJFCZXMVYFXIP-LBPRGKRZSA-N 325.437 4.059 0 50 EIAA CC(=O)[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 215964284 TWQVXDHJCLPJQC-FOPMIJGASA-N 342.864 4.427 0 50 EIAA CCOc1ccc(N[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1OCC 248243479 IEPCTAASJNVZPT-BZUAXINKSA-N 348.487 4.074 0 50 EIAA C(=C/c1ccccc1)\CN(Cc1cc(C2CC2)on1)C[C@@H]1CCCO1 252494459 NWHXFTFMAKFQGJ-BFSLETRISA-N 338.451 4.246 0 50 EIAA COCCN1C(=O)CC[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 334163290 NNXDTVCOJFXELS-LJQANCHMSA-N 348.446 4.453 0 50 EIAA Cc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)cc1Oc1ccncc1 359900554 YGALXGSEQXXHFP-UHFFFAOYSA-N 344.374 4.311 0 50 EIAA O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1occc1-c1ccccc1 680304831 BXYCOSICRUBWJR-OAHLLOKOSA-N 341.313 4.088 0 50 EIAA C[C@@H](c1ccccc1)N(C(=O)c1ccnn1C1CCC1)c1ccccn1 906110935 ICETVPYBNAUTRX-INIZCTEOSA-N 346.434 4.411 0 50 EIAA Cc1cc(C)c2cc(CN3CCC[C@](O)(C(F)(F)F)CC3)[nH]c2c1 952846313 ZHCKNGFRRWSROM-QGZVFWFLSA-N 340.389 4.064 0 50 EIAA CC(=O)c1ccc(NCC[C@H]2CCCCN2Cc2ccccc2)nc1 952989563 WFXUJYUCYKBYCZ-HXUWFJFHSA-N 337.467 4.141 0 50 EIAA CC(=O)c1[nH]c(C)c(C(=O)N(Cc2ccsc2)CC(C)C)c1C 1506408268 WNAXOAZPOBNPSE-UHFFFAOYSA-N 332.469 4.194 0 50 EIAA CC[C@@H]1CN(Cc2ccc(C(F)(F)F)c(F)c2)CCN1C(C)C 1529099441 XMTHABUVMBJUJE-CQSZACIVSA-N 332.385 4.149 0 50 EIAA CC(C)Cc1ccccc1CN1CC[C@H](CO)[C@H](c2ccccc2)C1 1875344369 IMOYNSYYMKEUGZ-PKTZIBPZSA-N 337.507 4.483 0 50 EIAA Cc1cc(COC(=O)c2cnc(-c3ccncc3)s2)ccc1F 2325855049 FWQNFQAUACZXCD-UHFFFAOYSA-N 328.368 4.010 0 50 EIAA O=C1C[C@@H](C(=O)Nc2cccc3ccccc23)[C@H](c2ccccc2)O1 185797 PNQDRKCQFACHSQ-XLIONFOSSA-N 331.371 4.083 0 50 EIAA CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(OCC)c1 205038 OPQKIVHATIKTHV-UHFFFAOYSA-N 337.375 4.397 0 50 EIAA Cc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 468311 WSTVZVQKZMWOOU-UHFFFAOYSA-N 338.457 4.393 0 50 EIAA COc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2C)c1 1049322 MVHJVCIKELXMJJ-UHFFFAOYSA-N 345.855 4.436 0 50 EIAA CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 1071758 YZBVUCNRGXUOAA-UHFFFAOYSA-N 339.313 4.365 0 50 EIAA O=C(c1ccc(Br)cc1)N1CC[C@@H](c2ccccc2)C1 1192005 OLAPHVAMBPXOKK-OAHLLOKOSA-N 330.225 4.079 0 50 EIAA Cc1cc(CNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1 1423679 XFKHETVUDNLUKG-UHFFFAOYSA-N 344.336 4.492 0 50 EIAA O=C(NC1CCCCCC1)c1ccn(COc2ccc(Cl)cc2)n1 2786915 KNOMYFNACFXDDJ-UHFFFAOYSA-N 347.846 4.026 0 50 EIAA S=C(Nc1cnn(Cc2ccccc2Cl)c1)N1CCCCCC1 2802494 CYZVGWDZWWKQJB-UHFFFAOYSA-N 348.903 4.158 0 50 EIAA C[C@@H](CN1CCC(C(=O)NC2CCCCCC2)CC1)c1ccccc1 4600386 DMLPBHVBMDDOKI-SFHVURJKSA-N 342.527 4.341 0 50 EIAA O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccc(Cl)cc1 4625247 IECOWZJRNDEAQQ-UHFFFAOYSA-N 339.704 4.487 0 50 EIAA C[C@H]1C[C@H](C)CN(CCOc2ccc(Br)cc2Cl)C1 4914037 UHCPLTZEQRQLPP-RYUDHWBXSA-N 346.696 4.459 0 50 EIAA CC[C@@H]1CCc2sc(C(=O)Nc3nnc(C4CC4)s3)cc2C1 6489390 YXBVKVOAQRVLHN-SECBINFHSA-N 333.482 4.244 0 50 EIAA Clc1ccc(Cl)c(-c2nn3c(-c4ccccn4)nnc3s2)c1 10312373 CJZUCEYZCKSYFI-UHFFFAOYSA-N 348.218 4.222 0 50 EIAA Cc1noc(C)c1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 11934197 UMDFJPMEVHLKMU-SFHVURJKSA-N 341.455 4.132 0 50 EIAA Cc1cc(CN[C@H](C)c2cnn(-c3cccc4ccccc34)c2C)[nH]n1 12300383 KMZBDQWWQNVTGF-OAHLLOKOSA-N 345.450 4.216 0 50 EIAA CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1cc(C)on1 13331813 YNZLUQDERWLJMT-LLVKDONJSA-N 329.183 4.086 0 50 EIAA CCc1ccc(-c2nc(NC(=O)c3cc(C)on3)sc2C)cc1 16605137 DABREEXPIIXWQX-UHFFFAOYSA-N 327.409 4.230 0 50 EIAA COc1ccccc1N1CCN(C/C(Cl)=C/c2ccccc2)CC1 19633041 CFHPSOXPAURQOR-SDXDJHTJSA-N 342.870 4.097 0 50 EIAA Clc1ccccc1CN1CCN(C2C3CC4CC(C3)CC2C4)CC1 19771269 NLPCUMAYTDJPMJ-UHFFFAOYSA-N 344.930 4.282 0 50 EIAA C[C@H]1CN(CCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 20167649 QGNHCJSZAPKCOJ-ROUUACIJSA-N 325.452 4.232 0 50 EIAA c1ccc(-n2nc(C3CC3)nc2CCCN2Cc3ccccc3C2)cc1 65382035 FJQGNGIUNDZXBO-UHFFFAOYSA-N 344.462 4.093 0 50 EIAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ccccc1O 67756973 QKQJQZAVIAVWKS-UHFFFAOYSA-N 348.402 4.126 0 50 EIAA Cc1n[nH]c(C)c1CCn1cnc(-c2ccccc2)c1-c1ccco1 67771274 GLONYJXIPWBXHU-UHFFFAOYSA-N 332.407 4.393 0 50 EIAA C[C@@H](O)c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c1 72144527 HJVUNWCBIYHENN-CQSZACIVSA-N 344.418 4.290 0 50 EIAA COc1nc(C(=O)Nc2cnc3ccccc3c2)cc2ccccc12 170594225 GHYDBOPWTKSHDG-UHFFFAOYSA-N 329.359 4.044 0 50 EIAA Cc1nc2c(C)cccc2cc1C(=O)N(C)[C@H](c1ccccn1)C1CC1 215915819 YUCIPKYTBNWZPV-NRFANRHFSA-N 345.446 4.470 0 50 EIAA CC[C@H](NC(=O)c1ccccc1-c1ccc(F)cc1)c1ccnn1C 219882924 TUXGKDZHZZBUBJ-SFHVURJKSA-N 337.398 4.107 0 50 EIAA Fc1cc(Br)cc(OC(F)(F)F)c1Br 263623207 FQHUDMXHDSLRLU-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA CN(CC1(CO)CCC1)C(=O)Nc1cccc(Oc2ccccc2)c1 299762423 WCEFNMNMQRWFFP-UHFFFAOYSA-N 340.423 4.105 0 50 EIAA CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccnc(O)c1 328594551 SZEMICCQAIORLV-UHFFFAOYSA-N 330.815 4.049 0 50 EIAA Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 329498840 FKPOFNQXPDRTNG-XJKSGUPXSA-N 341.455 4.332 0 50 EIAA O=C(/C=C/c1sc2ccccc2c1Cl)N1CC([C@H]2CCOC2)C1 366850507 SEPADEKTRNOBAR-FYJFLYSWSA-N 347.867 4.063 0 50 EIAA Cc1cc(F)ccc1-c1cccc(C(=O)N2CCO[C@@H](C3CC3)C2)c1 426612584 QIEFDTGWFBLYCU-HXUWFJFHSA-N 339.410 4.052 0 50 EIAA COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(O)c1 443571710 ZWTMMAKUBRVFGK-UHFFFAOYSA-N 335.359 4.445 0 50 EIAA CN(Cc1cnc2ccccc2n1)[C@]1(c2ccccc2)CCCCC1=O 660365669 MNIGAEYGGDAEHM-QFIPXVFZSA-N 345.446 4.100 0 50 EIAA Cc1nc([C@@H](C)NCc2ccc(-c3ccco3)cc2F)c(C)n1C 2325809849 SWUWOYQKVPONKM-GFCCVEGCSA-N 327.403 4.287 0 50 EIAA Cc1ccc(CC(=O)NCc2ccccc2-c2cccnc2)cc1C 2325823356 PEDDDDPBSOCUBH-UHFFFAOYSA-N 330.431 4.224 0 50 EIAA C[C@H](C(=O)NCC1CCCCC1)N1Cc2cccc3c2[C@H](CCC3)C1 2325828037 XCOIWMXZAQPSCS-OXQOHEQNSA-N 340.511 4.007 0 50 EIAA O=C(Cc1ccccc1)Nc1ccccc1NC(=O)Cc1ccccc1 70338 WJQGWZVBBHTSER-UHFFFAOYSA-N 344.414 4.049 0 50 EIAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 72375 JNCSQROSIMRUQO-QZTJIDSGSA-N 339.391 4.308 0 50 EIAA COC(=O)Oc1ccc2c(=O)c(Oc3ccc(C)cc3)coc2c1 90619 DIENRFWKHKTZHF-UHFFFAOYSA-N 326.304 4.039 0 50 EIAA Cc1ccc(C(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc1 363046 KKPMMNYJMLVWMT-UHFFFAOYSA-N 331.371 4.467 0 50 EIAA C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 407953 OPTWRDFVXQQSTK-MRXNPFEDSA-N 339.460 4.139 0 50 EIAA COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1 466735 FJQMNGXJVJMRTI-LBPRGKRZSA-N 349.814 4.072 0 50 EIAA COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 555039 XJZIQNCERSNNBQ-AWEZNQCLSA-N 343.448 4.209 0 50 EIAA Cc1cc(OCc2c(F)cccc2F)c2c3c(c(=O)oc2c1)CCC3 611501 BVXXHQJKQARMMP-UHFFFAOYSA-N 342.341 4.447 0 50 EIAA CCn1c(SCCOc2ccc(OC)cc2)nc2ccccc21 2088929 BCZNMUBVWKUVJQ-UHFFFAOYSA-N 328.437 4.236 0 50 EIAA CO[C@](F)(C(=O)Nc1cccc(Nc2ccccc2)c1)C(F)(F)F 2192061 OQKYCBDKBXPKBF-OAHLLOKOSA-N 342.292 4.243 0 50 EIAA Cc1ccc(SCC(=O)Nc2nnc(-c3cccs3)s2)cc1 2846827 JFWLSRIJPSEHSP-UHFFFAOYSA-N 347.490 4.306 0 50 EIAA Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c1 4488149 HIDPMUKPGBXRPG-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA C[C@@H]1C[C@@H](C)CN(CCOc2ccc(Cl)cc2Br)C1 4914391 PGSAWZZSNKSORV-VXGBXAGGSA-N 346.696 4.459 0 50 EIAA CCn1c(S)nnc1-c1cnn(-c2ccccc2)c1-c1ccccc1 5679318 PSXAOQALXBDAKI-UHFFFAOYSA-N 347.447 4.106 0 50 EIAA C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl 6787883 YWAPWTMIBYCKAR-SNVBAGLBSA-N 330.236 4.033 0 50 EIAA Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 10460582 AVRNHGHRAWDNGP-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA COCc1ccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)o1 12580273 XKYKDEIQEXVBEH-OAHLLOKOSA-N 347.842 4.174 0 50 EIAA CCc1c(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)csc1C 13328815 FLSFJOUAIRXVSJ-LLVKDONJSA-N 333.453 4.127 0 50 EIAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)CCCC(=O)O 64859607 VPXVODYVPILPRC-NWUQEUHQSA-N 336.472 4.158 0 50 EIAA in-vitro COc1cccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)c1 64984975 OMTLPJJZLUAMKB-INIZCTEOSA-N 329.400 4.176 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)cc1O 71745666 JRKHSQGIDRKWOC-MRXNPFEDSA-N 341.426 4.325 0 50 EIAA COc1cccc([C@H]2CCCN2Cc2cncn2C2CCCC2)c1 72151853 PWFQAQQALLDCRZ-HXUWFJFHSA-N 325.456 4.344 0 50 EIAA O=C(Cc1ccccc1)[C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 72447791 UEQXIIHLXOAPPX-HXUWFJFHSA-N 332.447 4.192 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)CCC2 72459083 OPRNEYJVYVWYLY-UHFFFAOYSA-N 332.403 4.103 0 50 EIAA Cc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)c2c(C)noc2n1 95391236 WFAPREHDRDAPMA-HNNXBMFYSA-N 339.395 4.190 0 50 EIAA COc1cccc([C@H]2CCN2Cc2ccc(-n3cccn3)cc2C)c1 215344046 RTQRGHPNPOEJGU-OAQYLSRUSA-N 333.435 4.136 0 50 EIAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(O)C(C)=O)[C@@]2(C)CC1 257355398 AMLZABRDYNLKCX-VTJFTLGMSA-N 344.495 4.410 0 50 EIAA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)NCc1ccccc1 263586217 RJAOPZWJJGLMQC-LJQANCHMSA-N 349.434 4.053 0 50 EIAA biogenic C[C@H]1CCCN(C(=O)c2cc(Cc3cccc4ccccc34)no2)C1 299758586 JRRSSFOEWXDHGB-HNNXBMFYSA-N 334.419 4.291 0 50 EIAA O=C(c1ncoc1C1CC1)N1CCCC[C@H]1c1nc2ccccc2o1 328951308 XEWAMZGWBBLAGT-AWEZNQCLSA-N 337.379 4.061 0 50 EIAA COCc1cc(Cl)ccc1NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C 425747190 FKYDQAXKMXGCPC-DIFFPNOSSA-N 346.814 4.130 0 50 EIAA CC(C)(C)OC(=O)N1Cc2ccc(Br)cc2C1(C)C 575631119 ZCYBWOWJMOPMEM-UHFFFAOYSA-N 326.234 4.435 0 50 EIAA CCCN(Cc1cccc(OC)c1)C(=O)c1ccc2scnc2c1 952966513 WYEGSYODJUYADF-UHFFFAOYSA-N 340.448 4.357 0 50 EIAA CC(C)(CNc1ncc(F)c(-c2ccsc2)n1)c1cccnc1 1875339073 VJCNDVUQHYSDGJ-UHFFFAOYSA-N 328.416 4.129 0 50 EIAA Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)c1C 34799 FGFIVSXFFWDIPQ-UHFFFAOYSA-N 337.448 4.236 0 50 EIAA CCOc1cc(C=O)cc(Cl)c1OC(=O)c1ccccc1Cl 316600 PIFBPKXRBYBMPR-UHFFFAOYSA-N 339.174 4.424 0 50 EIAA CC(=O)c1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)cc1 373724 MGUADVWJUIKAFC-UHFFFAOYSA-N 331.799 4.177 0 50 EIAA Cc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)c(C)c1 582656 MJYBENKZIWRDSD-UHFFFAOYSA-N 341.835 4.062 0 50 EIAA Cc1c(C)n(Cc2ccccc2)c2ncnc(Nc3cccnc3)c12 5345853 BRWAMZLZFYBJOD-UHFFFAOYSA-N 329.407 4.235 0 50 EIAA Cc1ccc2[nH]c(=O)c(CN3CCCCC3)c(-c3ccccc3)c2c1 9186793 YBUYQLBYQGZSCZ-UHFFFAOYSA-N 332.447 4.489 0 50 EIAA CC(C)n1cc(CN[C@@H]2CCCc3nc(-c4ccccc4)ncc32)cn1 14957562 DFLZNZDGCCUNFR-LJQANCHMSA-N 347.466 4.088 0 50 EIAA N=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccccc1 19757650 SWYHDLMPLNYQRF-UHFFFAOYSA-N 343.430 4.050 0 50 EIAA COc1cc2c(cc1OC)CN(CC[C@H](C)c1ccccc1)CC2 23281265 UVQUJLCPUSGRBU-INIZCTEOSA-N 325.452 4.256 0 50 EIAA O=C1OC[C@@H](CNC2CCCCC2)C1(c1ccccc1)c1ccccc1 39304780 YFCLRZJYPZKELV-HXUWFJFHSA-N 349.474 4.068 0 50 EIAA COc1ccc(-c2n[nH]cc2-c2nc3cc(Cl)ccc3[nH]2)c(F)c1 72474688 FOVHVSLEFRQJCA-UHFFFAOYSA-N 342.761 4.421 0 50 EIAA CC[C@@H](C(=O)N(Cc1ccsc1)C1CCCCC1)n1cccn1 91562699 WWJFUHNFUBNXSZ-KRWDZBQOSA-N 331.485 4.257 0 50 EIAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(O)cc3)on2)C1 101652033 SVTHTSHUNWSKNN-VBKZILBWSA-N 340.423 4.088 0 50 EIAA CC(C)(C)NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 170611633 YTAXHVDTAXEBFX-UHFFFAOYSA-N 328.359 4.357 0 50 EIAA COc1ccc(/C=C/c2ccc3c(Cl)c(O)ccc3n2)cc1O 170612955 XYJHVBNMYJYHHR-DUXPYHPUSA-N 327.767 4.478 0 50 EIAA COc1cccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c1F 192938363 QDNRHSXOCMMULD-UHFFFAOYSA-N 339.414 4.090 0 50 EIAA ClC(Cl)(Cl)CCCCCCC[Sn] 198563112 PNLYGADSOPWXOO-UHFFFAOYSA-N 335.270 4.284 0 50 EIAA CCn1ccc2ccc(CN3CCC(Oc4cccnc4)CC3)cc21 215343744 LVVZDOCHQPGCEW-UHFFFAOYSA-N 335.451 4.100 0 50 EIAA CCCCOc1ccc(C(=O)Cn2ccc(=O)c3sccc32)cc1 225442523 OMAGJPNHSITAMR-UHFFFAOYSA-N 341.432 4.125 0 50 EIAA Cc1ccc(-c2nnc(N(Cc3ccccc3)C(C)C)n2C)s1 225688512 ABTNJDPBGVIAIX-UHFFFAOYSA-N 326.469 4.267 0 50 EIAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 239125195 KBSWKXKTLUQVDA-CCKFTAQKSA-N 335.403 4.405 0 50 EIAA CC[C@H](NC(=O)N1CCCC[C@@H]1c1nccn1CC)c1cccs1 239637133 BJADIHHUXHXIOK-LSDHHAIUSA-N 346.500 4.352 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN[C@@H](C)c1ccccc1 252438242 JTFAPYUEBOLXAA-KZEVZHLLSA-N 333.516 4.176 0 50 EIAA C[C@]12CC3(CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12)OCCO3 257346069 QDULKIPGHAIXOR-FLIUJYPFSA-N 334.500 4.133 0 50 EIAA COC(=O)Nc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1 263639672 CZPWRPINTZIUGD-UHFFFAOYSA-N 337.710 4.056 0 50 EIAA CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2cc[nH]c2c1 338144041 XPUUQSDDZROGSS-UHFFFAOYSA-N 348.324 4.339 0 50 EIAA Cc1cc(NC(=O)c2cccc(F)c2Cl)n(-c2ccccc2)n1 463547837 OZXJJOVFEXVFIL-UHFFFAOYSA-N 329.762 4.226 0 50 EIAA CC(C)(C)OC(=O)N1CCC(COc2cccc3cnccc23)CC1 526056119 YMGMAZSZLVSXMK-UHFFFAOYSA-N 342.439 4.261 0 50 EIAA O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cc(-c2cccnc2)nc2ccccc12 843717339 NVFVPTUZPRSOOW-JNAXZKDPSA-N 343.430 4.215 0 50 EIAA Cc1ccc([C@H]2CCN(c3cc(N4CCCCC4)ncn3)C2)c(C)c1 1875362475 HCLUSXIRFFMUPV-SFHVURJKSA-N 336.483 4.078 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N[C@@H](C)c3nc(C)c(C)[nH]3)s2)o1 2325730977 KSZVBMWYKUKKBC-LBPRGKRZSA-N 329.425 4.147 0 50 EIAA Cc1sc(CCN[C@@H]2CCc3ncccc32)nc1-c1ccccc1 2325777788 DTVFGHQOLJGPNT-GOSISDBHSA-N 335.476 4.333 0 50 EIAA CN(Cc1ccc(Cl)c(Cl)c1)C1=NC[C@@H](c2ccccc2)N1 2325864257 KFUUBGILXOLRPA-INIZCTEOSA-N 334.250 4.126 0 50 EIAA COc1ccc(-c2ccccc2CN2CCC[C@@H](OC)C2)cc1F 2356169035 JRCZDTFWGJABQD-QGZVFWFLSA-N 329.415 4.112 0 50 EIAA CC(=O)c1cc(C2CCCCC2)ccc1OC[C@@H](O)CNC(C)(C)C 155484 YDNFNBFOFLARHO-SFHVURJKSA-N 347.499 4.065 0 50 EIAA O=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 317905 HJODLVAQTMIKPN-UHFFFAOYSA-N 339.572 4.134 0 50 EIAA CCc1cc2c(=O)c(Oc3ccccc3F)coc2cc1OC(C)=O 396043 LZEXBBGUJAIENL-UHFFFAOYSA-N 342.322 4.212 0 50 EIAA CSc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 612175 TWOIGBPNBNSURY-UHFFFAOYSA-N 348.427 4.161 0 50 EIAA O=C(Cc1cccs1)Nc1ccc(Br)cc1Cl 1054135 HBDQCFWCJCQNGN-UHFFFAOYSA-N 330.634 4.345 0 50 EIAA Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](c1ccc(Br)cc1)N2 2785986 NMPNSWXPMITRFR-RYUDHWBXSA-N 342.187 4.317 0 50 EIAA O=C1c2ccccc2C(=O)N1CC[C@@H](c1ccc(F)cc1)c1ccco1 2866323 ZCUIAOVCAOGBLQ-INIZCTEOSA-N 349.361 4.237 0 50 EIAA COc1ccc2c3c(c(=O)oc2c1OCc1ccccc1)CCCC3 3132217 TULIVNKNJBRMND-UHFFFAOYSA-N 336.387 4.259 0 50 EIAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@H](O)Cc1ccccc1 5051355 GEUQJHGDWUFPCL-DYESRHJHSA-N 334.463 4.047 0 50 EIAA Cc1nc(-c2cccnc2)sc1C(=O)NC1CCCCCCC1 16652283 LZDKCKJNCGZWCO-UHFFFAOYSA-N 329.469 4.356 0 50 EIAA O=C(Nc1ccc2ccccc2c1)c1ccc(Cn2ccnc2)cc1 38834153 YQRGQLXOLNHPJP-UHFFFAOYSA-N 327.387 4.337 0 50 EIAA CCOC(=O)c1sc(Oc2cccc3ccc(C)nc23)nc1C 40457288 SLHLLZIZHLBRLH-UHFFFAOYSA-N 328.393 4.277 0 50 EIAA COCc1ncc(CN(C)[C@@H](CCC(C)C)c2ccccc2)cn1 55036811 SVYRHUNRRNMEQD-IBGZPJMESA-N 327.472 4.232 0 50 EIAA O=C(O)c1ccccc1[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C1 72165693 DPVPMDVZDPYIJJ-INIZCTEOSA-N 348.402 4.029 0 50 EIAA COc1cccc2ccc(CN3CC[C@@H](c4ccccc4F)C3)nc12 72480058 WSJPQTQNOUHHNR-MRXNPFEDSA-N 336.410 4.372 0 50 EIAA CC(=O)Nc1ccc(N[C@H](c2ccccc2)c2ncc[nH]2)c(Cl)c1 129607558 JXCXTXRXADCZNR-QGZVFWFLSA-N 340.814 4.223 0 50 EIAA Cc1cccn2cc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(C(C)C)cc3)nc12 170636892 BZNQECARXFWASC-WOJBJXKFSA-N 347.462 4.186 0 50 EIAA O=C(Nc1cccc2[nH]ccc12)N(CCO)[C@H]1CCCc2ccccc21 175365381 CNIVAAIPEQKDJC-FQEVSTJZSA-N 349.434 4.072 0 50 EIAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCC(F)(F)CC1 178994044 TZRQPMZBACXSLG-UHFFFAOYSA-N 335.316 4.489 0 50 EIAA Fc1ccccc1Cc1cnc(NCc2cccc3nccn23)s1 185945230 PXLNQWFOMGJZOS-UHFFFAOYSA-N 338.411 4.133 0 50 EIAA CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@@H]2c2csc(C)n2)ccn1 187126657 XQZLXFKKTMKTLE-MLGOLLRUSA-N 345.468 4.001 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)Nc1ccccc1OCC1CC1 191843326 CSFWXFUXCSILNN-UHFFFAOYSA-N 342.464 4.445 0 50 EIAA CSc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1C 242140811 WPLLCXRJEUIJIH-HNNXBMFYSA-N 330.457 4.199 0 50 EIAA Cc1cccc2nc(CNC(=O)[C@@H](c3ccccc3)C3CCCC3)cn12 244716062 LHRXRFSRLXDBGO-NRFANRHFSA-N 347.462 4.233 0 50 EIAA CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1cc(C)ccn1 244748734 ONGVDTVNLPUAQY-OAHLLOKOSA-N 334.872 4.403 0 50 EIAA Cc1cc(C)c(OCC(O)COc2c(C)cc(C)cc2C)c(C)c1 263619740 QAMIBKBKPRWTHA-UHFFFAOYSA-N 328.452 4.356 0 50 EIAA CCc1nc(C)sc1C(=O)N1CCCC[C@@H]1CCc1ccccn1 299760719 JMTJUICBAWMCDQ-MRXNPFEDSA-N 343.496 4.036 0 50 EIAA CN(CCc1ccccn1)C(=O)c1ccc(-c2cccc(F)c2)cc1 826618790 FYVHIVRDAJAMCA-UHFFFAOYSA-N 334.394 4.202 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCCc1cccs1 827802424 KPSRBNRWDOWVQF-KRWDZBQOSA-N 325.433 4.222 0 50 EIAA Cc1occc1-c1cc(NC(=O)Nc2cnn(C3CCCC3)c2)no1 931109958 MPVYAQFZNMAJTE-UHFFFAOYSA-N 341.371 4.199 0 50 EIAA O=C(Nc1cnn(C2CCC2)c1)Nc1cscc1Br 931627700 TYLQNXKHVLJDJS-UHFFFAOYSA-N 341.234 4.076 0 50 EIAA O=C1CC[C@@H](NC2c3ccccc3-c3ccccc32)CCN1CC1CC1 952870364 YFWCYDFBCKIGRX-QGZVFWFLSA-N 346.474 4.137 0 50 EIAA COc1ccc(Nc2cc(C3CC3)ncn2)cc1OCC(F)(F)F 1162037725 IZVUGKJLXBOWIZ-UHFFFAOYSA-N 339.317 4.047 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(c3ccnc4cc(Cl)ccc34)C[C@@H]21 1704305684 MWGWRCTXMRDUTN-ACWOFJMJSA-N 330.859 4.266 0 50 EIAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1occc1C1CC1 1875305307 PMOGKTUGSGPKJO-JCNLHEQBSA-N 325.408 4.277 0 50 EIAA CCc1ccc(-c2nc([C@H]3CCC4(CC4)C3)n(-c3ccn(C)n3)n2)cc1 1875348533 UPJSFTYDHFZUBU-KRWDZBQOSA-N 347.466 4.278 0 50 EIAA Cc1cnc(CN(C)C(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)[nH]1 2325770166 MROSICAPWZXHDW-INIZCTEOSA-N 333.863 4.160 0 50 EIAA Cc1ccccc1C[C@H](NC[C@H](CO)Cc1ccccc1C)C1CC1 2325841306 NSCNDRLVIRJWPJ-XXBNENTESA-N 337.507 4.065 0 50 EIAA CCCCc1oc2ccccc2c1C(=O)N[C@@H]1CCN(CC)[C@@H](C)C1 2325863152 XNRYZSZJRSIHGX-JKSUJKDBSA-N 342.483 4.378 0 50 EIAA COC(=O)c1cc(CSc2ncc(C(C)C)[nH]2)c(Cl)s1 2325863255 BOOGMPQNIPMKCH-UHFFFAOYSA-N 330.862 4.327 0 50 EIAA Cc1cc(Br)ccc1NC(=O)C(Cl)(Cl)Cl 73326 WECVLLMKVSLPFK-UHFFFAOYSA-N 331.424 4.066 0 50 EIAA CCOc1cc(-c2ccc3c(c2)OCO3)cc(=O)c2c(C)oc(C)c12 277989 LYIUCQVJIILKHM-UHFFFAOYSA-N 338.359 4.204 0 50 EIAA biogenic C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 351888 ZQIYXRXFRWIRJA-JTQLQIEISA-N 327.277 4.251 0 50 EIAA C[C@@H]1CCC[C@H](N2CCN(C(=O)c3cccc4ccccc34)CC2)C1 355273 NHCIWPSEWAAMFH-MJGOQNOKSA-N 336.479 4.176 0 50 EIAA Cc1ccccc1-c1cc(C(=O)Nc2nncs2)c2ccccc2n1 433647 YIOJVXBKLKWJSH-UHFFFAOYSA-N 346.415 4.314 0 50 EIAA O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1 456928 SZGVMIJNIDFWRL-UHFFFAOYSA-N 339.247 4.049 0 50 EIAA CC(=O)c1ccccc1OC(=O)COc1ccc(Cl)cc1Cl 477339 ORVZBBJVPMUNRE-UHFFFAOYSA-N 339.174 4.180 0 50 EIAA O=S(=O)(Nc1c(F)cccc1F)c1cc(Cl)ccc1Cl 609542 HGTSQGGTMHZYGN-UHFFFAOYSA-N 338.162 4.072 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccs2)on1 2465669 DBMYXIJPDXKJJC-UHFFFAOYSA-N 334.784 4.317 0 50 EIAA Cc1cc(C)n(C(=O)c2ccc(COc3cccc(Cl)c3)o2)n1 2764480 CCCYUGAHSZEGHM-UHFFFAOYSA-N 330.771 4.014 0 50 EIAA COCCCNC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12 2868150 JHYDRGXPNPBRLY-UHFFFAOYSA-N 348.446 4.285 0 50 EIAA Cc1nc(S[C@H](C(=O)O)c2ccccc2)cc(-c2ccccc2)n1 4279262 OMWZPDYSDWZBQJ-SFHVURJKSA-N 336.416 4.370 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1SC 4734883 ZPGVBOLHMUCJIH-UHFFFAOYSA-N 328.437 4.399 0 50 EIAA O=C(Nc1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 5515959 SLHFRHAKYLNUFK-UHFFFAOYSA-N 343.858 4.126 0 50 EIAA O=C(CSc1ncccn1)Nc1cc(Cl)c(Cl)cc1Cl 6725461 OCUYXFSJEQYGNN-UHFFFAOYSA-N 348.642 4.168 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC[C@H]2CCCO2)cc1 8160895 WLTQMCAXRKFCAI-GOSISDBHSA-N 345.826 4.079 0 50 EIAA CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 18154545 HXSCJYPVJVLMTR-CQSZACIVSA-N 333.391 4.288 0 50 EIAA C[C@@H](CCCC(C)(C)O)NC1CCN(c2cccc(Cl)c2)CC1 20535878 LUMVIHUIJWMMDI-HNNXBMFYSA-N 338.923 4.228 0 50 EIAA Cc1nc(NC(=O)NC(c2ccccc2)c2ccccc2)nn1C(C)C 48121717 HFBAIAIHOGHIGC-UHFFFAOYSA-N 349.438 4.079 0 50 EIAA O=C(c1ccccc1O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71730596 GMPYLIUIBVMGHQ-AWEZNQCLSA-N 345.389 4.155 0 50 EIAA Cc1ccnc([C@@H](Nc2nccc(-c3ccc(C)nc3C)n2)C2CC2)c1 71759683 ICQREOXKRUJJEH-FQEVSTJZSA-N 345.450 4.422 0 50 EIAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 77376163 QRYIBEPNASXKOD-QGZVFWFLSA-N 348.446 4.408 0 50 EIAA CCN1C[C@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 91494368 IQOUMVXCXXPKLM-JOCHJYFZSA-N 349.522 4.173 0 50 EIAA Cc1oncc1C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91548807 NQYYERBTHODLKB-UHFFFAOYSA-N 346.430 4.205 0 50 EIAA CCOc1ccc(C(C)=O)cc1NC(=O)NCCc1ccc(C)s1 96152813 DPJZSMITWZMVBJ-UHFFFAOYSA-N 346.452 4.022 0 50 EIAA CC(=O)N1CCc2sc(-c3csc(-c4ccco4)n3)cc2C1 162431219 AKGVUVNCMAVAPI-UHFFFAOYSA-N 330.434 4.036 0 50 EIAA O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CS1 170613059 VDBHJIDVRJXMJY-ZDUSSCGKSA-N 345.811 4.349 0 50 EIAA Cc1ccc(-c2nnc([C@H](C)N3CC(C)(C)OC(C)(C)C3)o2)cc1C 190557893 ZYIDJRSHXRWFDW-HNNXBMFYSA-N 343.471 4.304 0 50 EIAA Cc1cc(Nc2ncnc3onc(C)c23)ccc1Oc1cccnc1 195510840 RGPSYPNIQMCKJL-UHFFFAOYSA-N 333.351 4.166 0 50 EIAA CCOc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1 253416274 NSFYFZGGZYZVRY-UHFFFAOYSA-N 336.416 4.370 0 50 EIAA C[C@H](c1cc2ccccc2o1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O 277993146 UQVDDDILKVZXDD-XOUADPBQSA-N 338.407 4.089 0 50 EIAA O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@@H](C(F)(F)F)C1 278206985 GRPNRZYDZSUPGH-OPRDCNLKSA-N 337.794 4.306 0 50 EIAA CCO[C@H](CC)CNC(=O)c1ccc(-c2cc(C)c(O)c(C)c2)cc1 426465350 YCJVGRJMYUAMLR-LJQANCHMSA-N 341.451 4.221 0 50 EIAA CC[C@@H](NC(=O)NC1(CO)CCCCCC1)c1ccc(C)c(C)c1 584885430 BUVSOPPFMDPVAK-GOSISDBHSA-N 332.488 4.139 0 50 EIAA COCCN(C)C(=O)c1cccc(-c2cc(F)c(C)cc2Cl)c1 584895938 CYIBBJOYIAESOD-UHFFFAOYSA-N 335.806 4.173 0 50 EIAA COc1ccc2c(C)cc(N3CCCN(C4CCCC4)CC3)nc2c1 1506429242 RUPJRKQTVIFTOG-UHFFFAOYSA-N 339.483 4.007 0 50 EIAA C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2O 1857525327 QIOYEDVDPAWRGZ-ROMHJBHXSA-N 332.484 4.053 0 50 EIAA c1ccc(-c2nc(-c3nccn3Cc3cc(C4CC4)on3)co2)cc1 1857681469 KQJCPCMNBIAAEW-UHFFFAOYSA-N 332.363 4.119 0 50 EIAA O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 35846 JEUYPXDMAWIMOG-UHFFFAOYSA-N 328.165 4.363 0 50 EIAA biogenic,in-vitro CSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)Nc1ccccc1-2 86221 UKUYZKQYYVGLGL-MRXNPFEDSA-N 336.420 4.072 0 50 EIAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 119711 FTNCGCKNCUXZGZ-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA COc1ccc(-c2ccccc2)cc1N1C(=O)c2ccc(F)cc2C1=O 246973 UGYCOPYSXGDLEU-UHFFFAOYSA-N 347.345 4.302 0 50 EIAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1C(=O)O 367685 VTNVBDZQFCXGDC-CQSZACIVSA-N 341.407 4.224 0 50 EIAA COc1ccccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 447592 PIKPAIYEHOYVBB-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccc(C(=O)[C@@H](OC(=O)c2cccnc2)c2ccccc2)cc1C 461186 GGWDYEQRIUCCLI-NRFANRHFSA-N 345.398 4.479 0 50 EIAA CSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 6697999 CUIMOCIPPJWCAK-UHFFFAOYSA-N 328.224 4.066 0 50 EIAA CCCC(=O)N1CCC(n2c(-c3ccccn3)nc3ccccc32)CC1 12246517 XCOIWJMMVGAEHN-UHFFFAOYSA-N 348.450 4.062 0 50 EIAA COc1ccc(CCNCc2c[nH]nc2-c2ccc(C)c(C)c2)cc1 12316594 ZKIFCZISMZAUPK-UHFFFAOYSA-N 335.451 4.034 0 50 EIAA COCc1ccc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)o1 15064309 KUOYJJYMNHKRLA-HNNXBMFYSA-N 347.842 4.174 0 50 EIAA COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1 21719078 HCWAPAJDGAHYMM-GOSISDBHSA-N 342.439 4.103 0 50 EIAA CCOP(=O)(C[C@H](CC)P(=O)(OCC)OCC)OCC 22016805 YJOBFGNCVKJFQK-LBPRGKRZSA-N 330.298 4.297 0 50 EIAA CN(C)Cc1ccccc1Oc1ccc(C(=O)N2CCCCC2)cc1 67909758 VJSFOJDQNMMNRX-UHFFFAOYSA-N 338.451 4.167 0 50 EIAA Cc1n[nH]c(C)c1CCn1ccnc1-c1ccc(-c2ccccn2)cc1 71750831 XOBFPTWXVLIWEA-UHFFFAOYSA-N 343.434 4.195 0 50 EIAA COc1cccc(-c2ccc(NC(=O)N3CCC[C@@H](OC)C3)cc2)c1 95500107 LETDJBXBTPIVNS-LJQANCHMSA-N 340.423 4.005 0 50 EIAA CC(=O)N1CC[C@@H](Nc2ccnc3ccccc23)c2ccc(F)cc2C1 185251326 IDDAEFXFKNYPRF-OAQYLSRUSA-N 349.409 4.279 0 50 EIAA Cc1sc2nc([C@H](C)N[C@@H]3CCC[C@@H](C)[C@@H]3C)[nH]c(=O)c2c1C 216230616 ARUUIBKLJBLXSB-IUCKATPISA-N 333.501 4.077 0 50 EIAA CCn1ccc(CN(C)C(=O)N[C@H](C)c2cc3ccccc3o2)c1 239807535 CSUSUHGGDUKFHT-CQSZACIVSA-N 325.412 4.157 0 50 EIAA Fc1cc(OC(F)(F)F)c(Br)cc1Br 263622939 CHAFRTBSKONUNC-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA O=C(C[C@@H]1CCCOC1)NCc1ccc(-c2ccc(Cl)cc2)o1 299772795 AEYJLNRNDHKRRZ-ZDUSSCGKSA-N 333.815 4.033 0 50 EIAA O=C(Cc1cc2c(ccc3ccccc32)o1)N1CC[C@@H]([C@H]2CCOC2)C1 366853044 JDRCQJWZQAQAPX-SJORKVTESA-N 349.430 4.014 0 50 EIAA CCN1C(=O)c2ccc(Cl)cc2NC12CCC1(CCOCC1)CC2 414178333 JSOCVYSTESPKNI-UHFFFAOYSA-N 348.874 4.295 0 50 EIAA CC(C)(C)c1nnc(CNc2ccc3cc(Cl)cnc3n2)s1 892900203 QYHWHJXRNVCUDS-UHFFFAOYSA-N 333.848 4.044 0 50 EIAA CC(C)Cc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1 1529169332 VYBIJZDMPXBBRG-FXELSEDVSA-N 342.527 4.076 0 50 EIAA O=C(CC1(C(=O)O)CCCCC1)N1CCCCC[C@@H]1c1ccco1 2325841315 OESVWNSTYNTWKV-OAHLLOKOSA-N 333.428 4.149 0 50 EIAA CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2 127224 BXMNXJVDBHPWPD-UHFFFAOYSA-N 334.828 4.101 0 50 EIAA COc1ccc(C(=O)Oc2c(C)cc(Br)cc2C)cc1 149113 UXJITMNHCFRCCC-UHFFFAOYSA-N 335.197 4.294 0 50 EIAA COc1ccc(CCNC(=S)Nc2ccc(Cl)cc2C)cc1 307404 SLTXQJIXYDIZQB-UHFFFAOYSA-N 334.872 4.186 0 50 EIAA CC1(C)C[C@H](N(Cc2cccs2)C(=O)c2ccc(F)cc2)CCO1 520515 GOFJTJLZOBIDNW-MRXNPFEDSA-N 347.455 4.487 0 50 EIAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1 6502328 QBDFSLJIFSOPSE-LBPRGKRZSA-N 347.436 4.008 0 50 EIAA O=C(Nc1cccc(-c2noc(-c3cccnc3)n2)c1)c1cccs1 6729479 OUPQTHMGRGUYHU-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1C[C@@H]1CCCO1 12517383 RNHVANYOFSTJSF-SCLBCKFNSA-N 342.826 4.086 0 50 EIAA CC(C)n1ncc2c(C(=O)Nc3ccccc3F)cc(C3CC3)nc21 12918204 OUSSAHZLUHTTJH-UHFFFAOYSA-N 338.386 4.281 0 50 EIAA CCN1CCC[C@@H](c2nnc3cc(C)c4ccc(Cl)cc4n23)C1 32537478 RCMNRMPLGWKLLI-CYBMUJFWSA-N 328.847 4.044 0 50 EIAA Nc1c(C(=O)c2ccc(Br)cc2)sc2ccccc12 34468267 LBVLINWFTPHELL-UHFFFAOYSA-N 332.222 4.477 0 50 EIAA O=C(NCc1ccccn1)c1ccc(-c2ccccc2Cl)s1 40287211 CMILJDIPJSOOPL-UHFFFAOYSA-N 328.824 4.394 0 50 EIAA Cc1cccc(N2CCN(Cc3c(C)[nH]c4ccccc34)CC2)c1C 55543256 XQLVZCDEIBELLA-UHFFFAOYSA-N 333.479 4.415 0 50 EIAA COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 64984934 WAAWTGNYKOKJBW-MRXNPFEDSA-N 343.427 4.484 0 50 EIAA Cc1cc(C)c(NC(=O)c2ccc(CN3CCC[C@H]3C)cc2)c(C)n1 65406506 ARYQMEASKUQLJF-MRXNPFEDSA-N 337.467 4.243 0 50 EIAA Cc1cccc(O)c1NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl 179560350 NXXXYPFRKDIROF-UHFFFAOYSA-N 346.814 4.201 0 50 EIAA Brc1cccc(C2(CNC3CCCC3)CCOCC2)c1 236777591 OBUPSMADYWEHCQ-UHFFFAOYSA-N 338.289 4.030 0 50 EIAA C[C@H](NC(=O)N1Cc2cccc(Cl)c2C1)c1ccc2n[nH]cc2c1 886084563 JMFDZKWLHDJARC-NSHDSACASA-N 340.814 4.003 0 50 EIAA CCCCOc1ccc([C@@H](C)NC(=O)[C@H]2CCC3(C2)N=N3)cc1OC 1776006479 QISHTOZWFWBRFE-HIFRSBDPSA-N 345.443 4.014 0 50 EIAA COc1ccc(C=O)cc1OC(=O)c1cc(Cl)ccc1Cl 312476 QUBWBBNRCMIMKW-UHFFFAOYSA-N 325.147 4.034 0 50 EIAA Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 387143 GHDOOYGJEYIRQF-MRXNPFEDSA-N 329.465 4.225 0 50 EIAA CCOc1ccc(NC(=O)CCCc2ccc(OC)cc2C)cc1 454616 AGGNSMAGRCOUBD-UHFFFAOYSA-N 327.424 4.364 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)c1 3005118 BXJHVPSBFHLQBP-QGZVFWFLSA-N 348.229 4.343 0 50 EIAA CCn1ccnc1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1C 12316707 DCUKYUAMQHXSIV-FQEVSTJZSA-N 347.462 4.050 0 50 EIAA CCOC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 15836757 MYTSFGKLUDUZTP-YPKPFQOOSA-N 332.403 4.424 0 50 EIAA COc1ccccc1C(Br)(C(F)(F)F)C(F)(F)F 16158596 UZUVKUZDUBHAOK-UHFFFAOYSA-N 337.057 4.410 0 50 EIAA Cc1ccc(NC(=O)Cc2noc(-c3ccc(F)cc3)n2)cc1Cl 16578709 BHUNNQGSYLZFJC-UHFFFAOYSA-N 345.761 4.019 0 50 EIAA C[C@H](O)c1cccc(Nc2nc(N3CCCC3)c3ccccc3n2)c1 41148150 DLKUCXDHTSIPEX-AWEZNQCLSA-N 334.423 4.027 0 50 EIAA CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CO[C@@H]1C2 43772228 XXHSKVZXPIQTFH-QMKAFUJPSA-N 348.483 4.112 0 50 EIAA in-vitro Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nn1 72117372 ZZHIIFVORURZNP-UHFFFAOYSA-N 338.342 4.360 0 50 EIAA N[C@@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)C(=O)O 141241503 CJBYSVCUTWXVBN-IBGZPJMESA-N 333.387 4.100 0 50 EIAA CC(C)(C)n1nc(C(=O)NC2(c3ccccc3)CCC2)cc1C1CC1 170641344 ASIJLYWZMYDBCQ-UHFFFAOYSA-N 337.467 4.325 0 50 EIAA CCOC(=O)c1cccnc1-c1ccc(NC(=O)OC(C)(C)C)cc1 200756626 FQIVYYMIMHSYOC-UHFFFAOYSA-N 342.395 4.272 0 50 EIAA Fc1cccc(F)c1-c1ccc(CNCc2cnc3n2CCCC3)o1 376729410 PWVKMHVFEANAAW-UHFFFAOYSA-N 343.377 4.047 0 50 EIAA CCCc1ccc(-c2ccc(NC(=O)Cc3nnc(C)o3)cc2)cc1 408512939 HVTQBFQQUPSULN-UHFFFAOYSA-N 335.407 4.179 0 50 EIAA Cc1cc(O)c(C(C)C)cc1C(=O)NCCc1c[nH]c2ccccc12 436812655 FULOODHIXAASPV-UHFFFAOYSA-N 336.435 4.278 0 50 EIAA C[C@H](c1ccccc1)N(C(=O)c1cc(C2CC2)nn1C)c1ccccn1 906110012 DLGOGCADARGVRR-OAHLLOKOSA-N 346.434 4.101 0 50 EIAA O=C(Nc1c(-c2ccccc2)[nH]c2ccccc12)N[C@@H]1C[C@H]2CC[C@@H]1O2 933822993 FWKIQRWNGCVGFB-OLMNPRSZSA-N 347.418 4.276 0 50 EIAA CCSCc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 1772491441 STJLNTQBLLHDAI-UHFFFAOYSA-N 345.280 4.413 0 50 EIAA COc1ccc2c(c1)nc(-c1ccc3c(c1)CCCO3)n2CC1CC1 1875290576 QSKFOLHDUCMQBX-UHFFFAOYSA-N 334.419 4.447 0 50 EIAA Cc1ccccc1Oc1ncccc1NC(=O)/C=C/c1ccncc1 2325736901 UULWXRFHNKBNCB-CMDGGOBGSA-N 331.375 4.229 0 50 EIAA CCC(CC)n1nc(-c2ccncc2)nc1[C@@H]1CCN2CCC[C@@H]2C1 2325849236 JFUYGZJKMWSMOF-SJLPKXTDSA-N 339.487 4.043 0 50 EIAA O=C(NCC[C@H]1CCc2ccccc21)c1cc(-c2cc[nH]n2)ccc1F 2325864596 SWNFCUVRIVAVLW-OAHLLOKOSA-N 349.409 4.066 0 50 EIAA O=C(Cn1cnc2cc(Cl)ccc2c1=O)c1cccc2ccccc12 38335 URERKEJKWNDINY-UHFFFAOYSA-N 348.789 4.086 0 50 EIAA CC(=O)Oc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 195685 IEGMWQLRFHQMCY-IBGZPJMESA-N 331.371 4.239 0 50 EIAA CO[C@@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 454214 BUWMWJYAAHQHOX-OAHLLOKOSA-N 334.213 4.084 0 50 EIAA COc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1OC 611937 CAUKCSZSERRMAN-INIZCTEOSA-N 342.464 4.068 0 50 EIAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(Cl)c1Cl 2585840 KGXWCCCBQSYUKL-SNVBAGLBSA-N 334.199 4.034 0 50 EIAA C[C@H]1C[C@@H](C)CN(CCOCCSc2ccc(Cl)cc2)C1 2824022 SFMLQAVQSGBTMM-GASCZTMLSA-N 327.921 4.427 0 50 EIAA O=S(=O)(NCCSC1CCCCC1)c1ccc2ccccc2c1 2864399 FABXURYFYDAPCH-UHFFFAOYSA-N 349.521 4.184 0 50 EIAA CCCc1ccc(Oc2coc3cc(OC(C)=O)ccc3c2=O)cc1 3898230 CJOKWYXSBVVMHL-UHFFFAOYSA-N 338.359 4.463 0 50 EIAA biogenic O=C(NCCc1c[nH]c2ccccc12)C1(c2ccccc2)CCCC1 4997319 UJDUIINQWWXFMQ-UHFFFAOYSA-N 332.447 4.339 0 50 EIAA Cc1ccsc1C(=O)N1CCC[C@H](C(=O)c2cc(F)ccc2F)C1 11662194 NAFPTVAGDVXQFR-LBPRGKRZSA-N 349.402 4.070 0 50 EIAA Cc1c([C@@H](C)NCc2ccc(F)c(F)c2)cnn1-c1cccc(F)c1 12478346 IVOBDYVSOPXRJP-GFCCVEGCSA-N 345.368 4.449 0 50 EIAA Cc1ccc(CN2CCOc3ccc([C@H](O)C(C)C)cc3C2)cc1 14885257 BAZCVXXSDFWEAL-OAQYLSRUSA-N 325.452 4.079 0 50 EIAA Cc1c(Cl)ccc(OCCCCN2C[C@H](C)O[C@H](C)C2)c1C 16247456 PSYQTMZSCPLXOX-OKILXGFUSA-N 325.880 4.225 0 50 EIAA CN1CCC(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 16603142 IZIQUHCQWHXDIB-UHFFFAOYSA-N 343.279 4.032 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCC[C@@H](C)C3)cc2)n1 48441272 DGHDQSCGOAHSQJ-MRXNPFEDSA-N 339.483 4.011 0 50 EIAA FC(F)(F)c1ccccc1CC[C@@H]1CCCN(Cc2ncc[nH]2)C1 71388557 ZWAORUUMRQRCMK-AWEZNQCLSA-N 337.389 4.273 0 50 EIAA CC(C)CCC[C@H]1CN(C(=O)c2c(O)ccc3ccccc23)CCO1 71736420 YWOOMMBZWYVNET-KRWDZBQOSA-N 341.451 4.213 0 50 EIAA O=C(c1ccc(C[C@@H]2COc3ccccc3C2)cc1)N1CCCCC1 92064861 BBNPOJTYULPEIK-SFHVURJKSA-N 335.447 4.107 0 50 EIAA Cc1nc2ccc(NC(=O)N[C@H](c3ccccn3)C(C)C)cc2nc1C 96150449 GRIFWFRTOWSXNN-IBGZPJMESA-N 349.438 4.160 0 50 EIAA CC(C)c1cc(CN(C)Cc2ccc(CN3CCCCC3)s2)no1 97729599 OLAAGPBAGLVNBZ-UHFFFAOYSA-N 347.528 4.477 0 50 EIAA Cc1cc(C2CCC2)nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 426492813 MTEKOINBKGBJBD-MRXNPFEDSA-N 337.467 4.113 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1CCN=c1[nH]c2c(s1)CCc1ccccc1-2 1875338859 NZGCZLQVJJXIRS-HUUCEWRRSA-N 341.524 4.005 0 50 EIAA C[C@@H](c1ccc(-c2nc(C(F)(F)F)n(C)n2)cc1)N1CCCCC1 2100484005 YKPBSTQKZNWTAL-LBPRGKRZSA-N 338.377 4.048 0 50 EIAA Cc1n[nH]c(C)c1Sc1ccccc1Nc1ccc(CCO)cc1 2356145141 CTASWVARENKVFA-UHFFFAOYSA-N 339.464 4.456 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 32828 IUDAMXRXVKGJIC-UHFFFAOYSA-N 337.297 4.134 0 50 EIAA COc1cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC 145248 SCPLVOAMHCFWOM-UHFFFAOYSA-N 349.814 4.235 0 50 EIAA Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 859988 FQMYNMQZTWONHE-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA O=C(Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 1075258 ONIZEJKBFDCWCB-UHFFFAOYSA-N 334.350 4.330 0 50 EIAA CCn1cc([C@H](C)NC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1 2758686 UDHQPPIHSXBJBR-HNNXBMFYSA-N 349.434 4.495 0 50 EIAA CCOCCOc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 2885238 VGDIEAZXLQNTRR-HXUWFJFHSA-N 341.451 4.229 0 50 EIAA CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1SC 2885371 FUECJQLJULCSRJ-UHFFFAOYSA-N 342.464 4.191 0 50 EIAA COc1cccc(-c2csc(NC(=O)CCc3ccccc3)n2)c1 4425148 OXUATKFOYCHZCV-UHFFFAOYSA-N 338.432 4.390 0 50 EIAA COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)OCC2 4788747 YRVUMXDFQMCLIE-QGZVFWFLSA-N 349.224 4.128 0 50 EIAA CCN(CC)CCC[C@@H](C)NC(=O)Nc1cccc2ccccc12 5715176 RIYZFSVCQTXEPM-MRXNPFEDSA-N 327.472 4.472 0 50 EIAA COc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3[nH]2)cc1 6470200 XMAOPBYRWQHENV-UHFFFAOYSA-N 343.386 4.491 0 50 EIAA COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)OCCO2 6515537 WTOPNAVCZWSENI-UHFFFAOYSA-N 341.407 4.016 0 50 EIAA CC1=CC(C)(C)N(C(=O)CSc2nccn2C)c2ccc(C)cc21 9421664 AQRKDBPXVXLNPM-UHFFFAOYSA-N 341.480 4.049 0 50 EIAA O=C(O)/C=C/c1ccc(OCc2ccccc2)c(Br)c1 11949706 WXXQCNGAXBAMTE-VQHVLOKHSA-N 333.181 4.126 0 50 EIAA O=C(CCc1ccccc1F)N[C@@H]1CCCN(C2CCCCCC2)C1 14968760 BHDBPGZSBFYIOJ-GOSISDBHSA-N 346.490 4.062 0 50 EIAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NCCCc1ccccc1 15064624 WQENKDDTTSYRQO-INIZCTEOSA-N 332.451 4.130 0 50 EIAA Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc3c(c2)OCO3)c1 17067291 JKHRRKXCSOGVAB-CYBMUJFWSA-N 328.437 4.080 0 50 EIAA O=C(c1cc2ccccc2o1)N1CCc2onc(-c3ccccc3)c2C1 19642362 BIGOTSVTQTXIBC-UHFFFAOYSA-N 344.370 4.286 0 50 EIAA Cc1ccnc(C[C@H](C)N(C)Cc2c(C)nn(C(C)(C)C)c2C)c1 55385176 IGFAFWUVQSDLJG-HNNXBMFYSA-N 328.504 4.021 0 50 EIAA COc1cc(Oc2ccc(CN3CCCC3)cc2)cc(OC)c1OC 67790797 NGVIQCUJIOQTDH-UHFFFAOYSA-N 343.423 4.101 0 50 EIAA Cc1cc(C(=O)N(C)[C@@H](c2ccccn2)C2CC2)c2cccc(C)c2n1 82092399 CQODBBGZWYCDTK-OAQYLSRUSA-N 345.446 4.470 0 50 EIAA Cc1cc([C@@H]2CCCCN2Cc2cnn(-c3cccc(F)c3)c2)no1 97463646 PFWMBWUVTPFKDB-IBGZPJMESA-N 340.402 4.035 0 50 EIAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@H]1C=C[C@H]2CC1 100199421 IYWXNCONOXNVSJ-ZULIPRJHSA-N 329.399 4.055 0 50 EIAA Cc1cccc(-c2nnc([C@H](C)N3CCO[C@@H](c4ccccc4)C3)o2)c1 229133149 BNXJYAOVTSFBDA-QFBILLFUSA-N 349.434 4.180 0 50 EIAA C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1Cl 237651805 TWCYVCOKCSXSIR-ZBEGNZNMSA-N 337.250 4.261 0 50 EIAA CC[C@H](c1ccccc1OC)N(C)c1cc(C)nc(-c2ccncc2)n1 241965588 UUBOFRLXTKVMOQ-GOSISDBHSA-N 348.450 4.443 0 50 EIAA CC(C)[C@@H](C)N(Cc1ccco1)Cc1cc(-c2ccncc2)no1 244734919 NNZCPTUOYUFZDZ-OAHLLOKOSA-N 325.412 4.376 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cnc(-c2cccs2)s1 263533619 XXTKDLWLVLBGCD-XBFCOCLRSA-N 348.493 4.089 0 50 EIAA Cc1c[nH]nc1CN[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 289400480 AFIYFNAYKNJSFQ-AWEZNQCLSA-N 342.443 4.148 0 50 EIAA CCc1c(C(=O)N2CCc3ccsc3C2)cnn1C(CC)CC 359908847 IFDCIBPRHGKWDM-UHFFFAOYSA-N 331.485 4.067 0 50 EIAA CCc1c(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)cnn1CC(C)C 678467519 SLRSLNZVMOYLPJ-OAHLLOKOSA-N 332.492 4.146 0 50 EIAA CO[C@@H](C)c1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1 1506397710 GQDXEEDAOXZQJK-AWEZNQCLSA-N 330.391 4.166 0 50 EIAA O=C1C[C@@H](c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)CN1 1857715210 HDJCDJSOYSFHKC-LLVKDONJSA-N 340.732 4.024 0 50 EIAA CC(C)c1nc(O)ccc1C(=O)NCc1ccc(Cl)c(Cl)c1 2100547609 LUUKIKJFJZERKX-UHFFFAOYSA-N 339.222 4.147 0 50 EIAA c1ccc(-c2ncc(CNCc3ccc4c(c3)CCCC4)s2)nc1 2325774308 GUTRLIHFFDTDTE-UHFFFAOYSA-N 335.476 4.374 0 50 EIAA COc1cc(C(F)(F)F)ccc1-c1cc2c3c(c1)CC(=O)N3CCC2 2325776369 FFUNYCVTYJVSPU-UHFFFAOYSA-N 347.336 4.216 0 50 EIAA Cc1nn(C(=O)c2ccc(C(C)(C)C)cc2)c(N)c1-c1ccccc1 106471 JPLICXZPFLQUQY-UHFFFAOYSA-N 333.435 4.427 0 50 EIAA O=C(Oc1ccc(-c2nc(-c3ccccn3)no2)cc1)c1ccccc1 447252 XNTSMZKXUMZXID-UHFFFAOYSA-N 343.342 4.018 0 50 EIAA aggregator Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1 468558 YVGNCJAUWRIDLU-UHFFFAOYSA-N 343.839 4.111 0 50 EIAA COc1ccc([C@H](C)NC(=O)c2ccc(OCC(C)C)cc2)cc1 475804 VEUMDLHPRIVMAS-HNNXBMFYSA-N 327.424 4.221 0 50 EIAA C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 619428 ZVFUKBNUUDHJRR-AWEZNQCLSA-N 334.375 4.023 0 50 EIAA Cc1nn(C)c2nc(-c3ccc(F)cc3)cc(C(F)(F)Cl)c12 2741155 XKCADYWYRMVJOF-UHFFFAOYSA-N 325.721 4.371 0 50 EIAA CCCCc1ccc(NC(=O)COc2ccc(C)cc2OC)cc1 4542822 LLHCZQCMBPUPDZ-UHFFFAOYSA-N 327.424 4.364 0 50 EIAA O=C(NC[C@@H](O)c1ccc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 5777924 WPNVLNPYVNXQQI-YYAZDPENSA-N 349.474 4.206 0 50 EIAA Cc1csc(NC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)n1 11907438 UNEZKWBLZQXROM-LBPRGKRZSA-N 343.477 4.427 0 50 EIAA O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc(Cl)c1 44900833 DNVAEJJNFQADCA-INIZCTEOSA-N 341.798 4.320 0 50 EIAA Cc1occc1C(=O)Nc1ccc(C(=O)NC2(C)CCCCC2)cc1 55169059 KHPURFCQRBNXFE-UHFFFAOYSA-N 340.423 4.293 0 50 EIAA Cc1ccoc1C(=O)Nc1c(C)cnn1Cc1ccc(Cl)cc1 55281452 LZGANGVPZWQUSD-UHFFFAOYSA-N 329.787 4.047 0 50 EIAA COCCNc1cc(-c2cccc(C(F)(F)F)c2)c2cc[nH]c2n1 72153997 JXIHMAWATHRPSA-UHFFFAOYSA-N 335.329 4.307 0 50 EIAA CCOc1ccccc1-c1nc(-c2ccc(CNC(C)=O)o2)cs1 120774915 BHCUYEKSUUYBDJ-UHFFFAOYSA-N 342.420 4.105 0 50 EIAA CCN1CCN([C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 155473815 VLYARPNINCLKOB-CQSZACIVSA-N 333.863 4.002 0 50 EIAA C[C@@H](NC(=O)c1snnc1C(C)(C)C)c1cc2ccccc2o1 170607866 GWYWZQMDUIZNHP-SNVBAGLBSA-N 329.425 4.073 0 50 EIAA CC(C)OC1CCC(NC(=O)Nc2ccc3ccn(C)c3c2)CC1 178787724 ODYRVJBCPSBHIE-UHFFFAOYSA-N 329.444 4.036 0 50 EIAA Cc1cc([C@@H](C)NC(=O)N(C)C[C@H](C)c2nccs2)c(C)s1 182169378 FLQDGWXUZZOPKL-CMPLNLGQSA-N 337.514 4.328 0 50 EIAA CCCc1ccccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 184041929 RFJZJAMYRKYWTO-NRFANRHFSA-N 336.435 4.302 0 50 EIAA Cc1cnc2c(C)cccc2c1N1CC[C@@H](OCc2ccncc2)C1 192907871 MYYZFOFDVQTSTH-GOSISDBHSA-N 333.435 4.042 0 50 EIAA Cc1cccc(CSCCCNC(=O)c2cc(C)nc(C)c2)c1 215549144 GQEYAUJWDHHMNM-UHFFFAOYSA-N 328.481 4.060 0 50 EIAA C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccsc2Cl)C1 282039663 UJPOHAAPVTYDTL-XWUBHJNHSA-N 342.892 4.195 0 50 EIAA c1nc(N2CCCC[C@H]2c2nnc(C3CCC3)o2)c2sccc2n1 288702310 BXUIDDMTFHUEQH-ZDUSSCGKSA-N 341.440 4.073 0 50 EIAA CC(C)c1nnc(N2CCC(c3nc4ccccc4o3)CC2)s1 301688973 MXAKQNSEEOWPIX-UHFFFAOYSA-N 328.441 4.187 0 50 EIAA c1cc(-c2nc(CN3CC4(CCC4)[C@H]3C3CCOCC3)cs2)co1 425552261 KSKNMVVVWSHSRO-QGZVFWFLSA-N 344.480 4.184 0 50 EIAA O=C(c1cc2c(s1)CCOC2)N1CC[C@H](c2cccc(Cl)c2)C1 496806751 UEKRKLRNYNEQHC-ZDUSSCGKSA-N 347.867 4.104 0 50 EIAA CCOc1cccc([C@@H](C)NC(=O)c2ccc3ncsc3c2)c1 498964103 MGSZETRTADVOIG-GFCCVEGCSA-N 326.421 4.186 0 50 EIAA Cc1nccnc1[C@@H](C)Nc1ccnc2cc(OC(F)(F)F)ccc12 899875831 YXWXAMCBUNDZJR-LLVKDONJSA-N 348.328 4.405 0 50 EIAA CCn1nc(C)c([C@H](C)NCC2=Cc3cc(Cl)ccc3OC2)c1C 1506418517 QJHLYONORHZQML-LBPRGKRZSA-N 345.874 4.300 0 50 EIAA Cc1cc(NC(=O)Cc2nc([C@H]3C[C@H]3C)no2)c(Cl)cc1C1CC1 1875405769 OBFQSASUOGVEKT-RNCFNFMXSA-N 345.830 4.213 0 50 EIAA Cc1ccc(C)c([C@@H](O)COc2ccc(OCc3ccncc3)cc2)c1 2325705572 JFQBQTOHOKDKGN-QFIPXVFZSA-N 349.430 4.390 0 50 EIAA Cc1c(-c2nnc(CCN(C)c3ccccc3)o2)oc2ccccc12 2325722934 IRABTSNMGZXAOI-UHFFFAOYSA-N 333.391 4.470 0 50 EIAA OC1([C@@H]2CCCN(Cc3cccc(OCc4ccccc4)c3)C2)CC1 2325824899 UXWNSPYRMXVZKR-HXUWFJFHSA-N 337.463 4.003 0 50 EIAA C[C@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)O 139484 SVGBNTOHFITEDI-QMMMGPOBSA-N 328.151 4.033 0 50 EIAA Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1 253036 SKJJIFRWCCSXGL-UHFFFAOYSA-N 343.370 4.431 0 50 EIAA in-vitro Cc1c(Cl)cccc1N1C(=O)C[C@@H](Cc2ccc(Cl)cc2)C1=O 281401 XJFOGXZKJDUBSP-CYBMUJFWSA-N 348.229 4.424 0 50 EIAA Fc1ccc(CSc2nncn2NCc2ccc(Cl)cc2)cc1 359855 GONQIRWKPLMRMF-UHFFFAOYSA-N 348.834 4.107 0 50 EIAA COc1ccc(C(=O)[C@@H](CN(O)C(C)(C)C)c2ccccc2)cc1 404998 DEQYDDCZONKOHI-SFHVURJKSA-N 327.424 4.151 0 50 EIAA COc1ccccc1NC(=O)CSc1cc(C)c2ccccc2n1 421426 OBHCVVJUFCKSLA-UHFFFAOYSA-N 338.432 4.283 0 50 EIAA O=C1C[C@H](c2c(F)cccc2Cl)c2c(c3ccccc3oc2=O)O1 1427229 OFEPHWCLJBGWBJ-SNVBAGLBSA-N 344.725 4.027 0 50 EIAA CCOc1cccc(OCCOc2ccc(Br)cc2)c1 2985113 UWORLUJADLCWFN-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA CC(C)(C)NCCOCCOc1ccc(Cl)cc1C(C)(C)C 3000756 BAOXFXFMVYUFFF-UHFFFAOYSA-N 327.896 4.421 0 50 EIAA CC(C)NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 4810792 HPHIPWDRPVPXKC-UHFFFAOYSA-N 331.803 4.122 0 50 EIAA Cc1cc(C)cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 6715173 HIZFJSWNUJAJSJ-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA Cc1ccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)o1 6846655 ZEBKBKAAUYQXTE-UHFFFAOYSA-N 332.153 4.264 0 50 EIAA COC(=O)c1c(NC(=S)Nc2ccccc2F)sc(C)c1C 7637116 VQCUNPUQZYFRIM-UHFFFAOYSA-N 338.429 4.100 0 50 EIAA CN(Cc1ccc(F)cc1)N1C(=O)[C@H](c2ccccc2)c2ccccc21 71767329 WDEVAXZJCYZEKG-OAQYLSRUSA-N 346.405 4.351 0 50 EIAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCC[C@H]1c1ccco1 120756636 IASQMYJPLIQMTJ-AWEZNQCLSA-N 332.787 4.237 0 50 EIAA Cc1nn(C)cc1CN[C@@H](c1ccccc1)c1cc2ccccc2o1 179057311 IGKYJZZHUKXUNC-NRFANRHFSA-N 331.419 4.354 0 50 EIAA O=S(=O)(Nc1cc(Cc2ccccc2)ccc1O)C1=CCCCC1 253426407 ZUSGACYAVPQPOV-UHFFFAOYSA-N 343.448 4.183 0 50 EIAA CC[C@@H](NCc1c(C)nc2scc(C3CC3)n12)c1ccncc1 298341255 JGTYFTQBHOKNQE-OAHLLOKOSA-N 326.469 4.218 0 50 EIAA COc1ccc([C@H](C)NCc2scnc2C2CC2)c(C)c1OC 342289125 VUMRFQAHTQIVAI-LBPRGKRZSA-N 332.469 4.197 0 50 EIAA C[C@@H]1CCN(C(=O)Nc2cccc3c2CCO3)[C@@H](c2ccco2)C1 408397433 VILLGVUJCVRJOC-CZUORRHYSA-N 326.396 4.220 0 50 EIAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(F)cc1 826583259 SXWACJKUGMFUEX-AWEZNQCLSA-N 340.398 4.093 0 50 EIAA COc1ccc(N[C@H](C)c2ncc(-c3ccccc3)n2C)cc1OC 834704656 AMCHETNFYLMRKT-CQSZACIVSA-N 337.423 4.277 0 50 EIAA O=C(c1ccc(-c2cccc(F)c2)cc1)N1Cc2ccccc2[C@H](O)C1 952983902 XBEFTYWYOKOHJV-OAQYLSRUSA-N 347.389 4.182 0 50 EIAA CCOc1ccc(CC(=O)Nc2ccnn2[C@H](C)c2ccccc2)cc1 1529189846 ALLRKXJVMGVIBG-MRXNPFEDSA-N 349.434 4.072 0 50 EIAA COc1cc([C@@H]2CC[C@H](OC(=O)c3ccncc3C)C2)cc(F)c1F 2325855473 BXGQHNRIGREQDS-OCCSQVGLSA-N 347.361 4.170 0 50 EIAA Cc1cccc(C)c1OC(=O)COc1ccc(Br)cc1 129516 NOAQIZVYMIWXHU-UHFFFAOYSA-N 335.197 4.050 0 50 EIAA O=C(CCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 142117 HCCKVCSQGHSKQX-UHFFFAOYSA-N 337.206 4.351 0 50 EIAA Cc1sc2ncn(Cc3c(Cl)cccc3Cl)c(=O)c2c1C 144638 CGVAFOORZCSWHW-UHFFFAOYSA-N 339.247 4.430 0 50 EIAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 335968 KLHJWYMUYRHVIZ-ZJUUUORDSA-N 349.736 4.188 0 50 EIAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2C)c1 342137 OQCGBYRYRJZYIM-LBPRGKRZSA-N 342.464 4.341 0 50 EIAA CC(=O)Nc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1 612900 ZOAZSWUOGVAQQG-UHFFFAOYSA-N 325.393 4.218 0 50 EIAA CN1C[C@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2ccc(F)cc2)C1 4489436 OAJSJXJVFWZAFZ-KBPBESRZSA-N 335.781 4.146 0 50 EIAA C[C@@H]1C[C@@H](C)CN(CCOCCOc2cccc3ccccc23)C1 4907332 WRHRLSUFTVSSCS-QZTJIDSGSA-N 327.468 4.213 0 50 EIAA CCCCC[C@H](C)NC(=S)Nc1sc(C)cc1C(=O)OC 6635321 IGFOGTYPFWCNCC-JTQLQIEISA-N 328.503 4.098 0 50 EIAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc(C)n1 6697757 OQLNERMRFGAOSZ-UHFFFAOYSA-N 348.468 4.021 0 50 EIAA Cc1oc(-c2cccs2)nc1CN(C)Cc1nc2ccccc2o1 11958616 NSWRSCOHELPDHW-UHFFFAOYSA-N 339.420 4.485 0 50 EIAA CCOC(=O)c1sc2nc(C)ccc2c1NC(=O)c1cccs1 12413694 JZMSTRLVWFTPIZ-UHFFFAOYSA-N 346.433 4.095 0 50 EIAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 78807626 NCMZQTLCXHGLOK-IJKWGBFBSA-N 330.468 4.450 0 50 EIAA CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1noc2c1CCCC2 97568830 POGWPWHZSHQCRA-GOSISDBHSA-N 330.428 4.020 0 50 EIAA Cc1ccc(-c2nc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2C)cc1 101669905 KPZDCXZHTWBGGQ-HUUCEWRRSA-N 340.448 4.107 0 50 EIAA Cc1noc(C)c1[C@H](C)CNC(=O)N1CCCCC[C@@H]1c1ccco1 151562882 FFJZKSJDKHHJML-CZUORRHYSA-N 345.443 4.315 0 50 EIAA Cc1ccc([C@@H]2CN(Cc3cc(-c4ccco4)on3)CCO2)c(C)c1 170645414 CZQFIWADVVRWGX-FQEVSTJZSA-N 338.407 4.125 0 50 EIAA CC(C)N1CCC(NC(=O)N[C@H](C)c2cc3ccccc3s2)CC1 171543549 FUYYXFOJEMANHG-CQSZACIVSA-N 345.512 4.134 0 50 EIAA Fc1ccc(-c2noc(-c3ncoc3[C@H]3CCCO3)n2)c(Cl)c1 225466871 WKUSUEXUDLYKBQ-LLVKDONJSA-N 335.722 4.036 0 50 EIAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1Cl 248080495 PLCBAAFOBRUHFI-VQIMIIECSA-N 340.854 4.097 0 50 EIAA CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1sccc1SC 271421234 FJBARZIPNQGGJY-YGRLFVJLSA-N 339.457 4.115 0 50 EIAA CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC(C)(C)c1ccc(C)nc1 330841625 ZXTNOQVMUXOUNE-QGTPRVQTSA-N 332.488 4.115 0 50 EIAA O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1CCC(F)(F)C1 376449907 RYEVUCJELSTIEZ-SECBINFHSA-N 343.280 4.048 0 50 EIAA C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1cccc(Cl)c1 426295654 UZLMHPBWIYCIPX-CYBMUJFWSA-N 326.827 4.043 0 50 EIAA Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCC[C@@H](N)CC2)cc1 426387184 ZKISVKIYIUQBRJ-GOSISDBHSA-N 342.870 4.269 0 50 EIAA Cc1csc([C@H](C)NC(=O)N[C@]2(c3ccccc3)CC2(C)C)n1 663952371 VXGYHWQBYAUTJQ-UGSOOPFHSA-N 329.469 4.137 0 50 EIAA CC(C)(C)c1csc(CNc2ccc3c(c2)CCCC(=O)N3)n1 865503380 WGEQTXOWBPYVOK-UHFFFAOYSA-N 329.469 4.328 0 50 EIAA Cc1c(CNC(=O)NCc2nc(C(C)(C)C)co2)oc2ccccc12 893027720 CZEMFSLACMHEAU-UHFFFAOYSA-N 341.411 4.026 0 50 EIAA Cn1cnc2ccc(-n3ccnc3-c3c(Cl)cncc3Cl)cc21 1775983711 RVCFFHUHYIYOGS-UHFFFAOYSA-N 344.205 4.128 0 50 EIAA Cc1ccc2cc(-c3nccn3CC[C@H]3CCCCO3)c(O)nc2c1 1857689045 CMQNGIMDPRIHOE-MRXNPFEDSA-N 337.423 4.072 0 50 EIAA Cc1ncc2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cn12 2325706654 SABOVVCYJPBVNP-NSHDSACASA-N 347.340 4.153 0 50 EIAA Cc1cccc(O[C@H](C)c2nnc(N(C)C3CC(C)(C)C3)n2C)c1C 2325827488 HRNBODGOSMYAHT-OAHLLOKOSA-N 342.487 4.197 0 50 EIAA C/C=C/C[C@@H](NC(=O)c1cc2sc3ccccc3c2s1)C(=O)O 2325877137 KCZNLXVUHPRDKX-KXMPLOMGSA-N 345.445 4.265 0 50 EIAA Cc1ccc(C(=O)N2CCCc3ccccc32)cc1Br 45952 JMHMYBJOXDFLNH-UHFFFAOYSA-N 330.225 4.351 0 50 EIAA O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(F)(F)F 62640 LASKFGKVOJKTNF-UHFFFAOYSA-N 327.689 4.072 0 50 EIAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCc1ccco1 131134 GIOITSVZHKTQGT-JLHYYAGUSA-N 333.387 4.188 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1[C@H](C)CCC2 151131 YGHLPASPMBXVGU-SNVBAGLBSA-N 333.409 4.210 0 50 EIAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 335963 KLHJWYMUYRHVIZ-NXEZZACHSA-N 349.736 4.188 0 50 EIAA C[C@@H]1CN(C)[C@H](C)C[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 4011371 STYAGPHRIVPVTJ-MBOZVWFJSA-N 337.463 4.090 0 50 EIAA C[C@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@H](c2ccc3c(c2)OCO3)[C@@H]1C 4098804 QFUXQRHAJWXPGP-IIBDXVJDSA-N 340.375 4.229 0 50 EIAA biogenic,in-vitro CCOc1ccccc1NC(=O)COc1c(Cl)cccc1Cl 4542105 PFKHEPLZKCNSAW-UHFFFAOYSA-N 340.206 4.410 0 50 EIAA Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C 6698619 MGJKKBUOIIITQR-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA O=C(Cc1cccc2ccccc12)Nc1ccnn1Cc1cccs1 7793715 JDHBJXLJIZWRRP-UHFFFAOYSA-N 347.443 4.327 0 50 EIAA O=C(NC[C@H]1CCCCO1)c1ccc2nc(C3CCCCC3)oc2c1 12001848 SNNDHQDWPPDTBP-MRXNPFEDSA-N 342.439 4.174 0 50 EIAA Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)C(C)C)C2)c1 14886937 BYKRTVXWQIUROS-GOSISDBHSA-N 337.467 4.122 0 50 EIAA Cc1nc(C)c(-c2cccc(-c3ccn(C[C@@H]4CCCO4)n3)c2)s1 20514296 FSAXPIJOPSSENJ-KRWDZBQOSA-N 339.464 4.469 0 50 EIAA Cc1cccc(N2CCC(N[C@@H](C)CCCC(C)(C)O)CC2)c1C 20560913 MKNMLRUTIALSAR-KRWDZBQOSA-N 332.532 4.192 0 50 EIAA Cc1cc2cccc(NC(=O)c3ccc([C@H]4CCCN4)s3)c2o1 23619671 WQMAXCMPWKXWLY-CYBMUJFWSA-N 326.421 4.480 0 50 EIAA CCCn1cc(-c2ccnc(N[C@@H](C)c3ccc(F)cc3)n2)c(C)n1 48393852 XDJYHSGGVZIBMK-ZDUSSCGKSA-N 339.418 4.371 0 50 EIAA O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(-c2cnco2)cc1 54774448 JJKOUEISSQXNOI-UHFFFAOYSA-N 347.418 4.190 0 50 EIAA c1ccc(-c2ncn(CCc3cn4ccccc4n3)c2C2CC2)cc1 65453999 SHDDKDWCXLFEJH-UHFFFAOYSA-N 328.419 4.318 0 50 EIAA Oc1ccc(-c2ccc(-c3nc(CCc4ccccc4)no3)cn2)cc1 72167488 HEHPLUVLVWORDK-UHFFFAOYSA-N 343.386 4.289 0 50 EIAA FC(F)Oc1cccc(CN2CCCC[C@H]2CCN2CCCC2)c1 77341816 QRDHPWGAYNEPGU-KRWDZBQOSA-N 338.442 4.128 0 50 EIAA COC1(OC)[C@H]2C=C[C@H]1[C@H]1C3c4ccccc4C(c4ccccc43)[C@H]21 101044637 BJDCWSGFUAZUJG-ROLQGWSDSA-N 330.427 4.315 0 50 EIAA c1cc2c(s1)CCN(c1ccc(NCC3CCOCC3)cc1)C2 127579629 OKKXTDHSILYLED-UHFFFAOYSA-N 328.481 4.149 0 50 EIAA Fc1ccc(C2(CNc3nccc(C(F)(F)F)n3)CCC2)cc1 170607668 AFZSZAWHHUJQNP-UHFFFAOYSA-N 325.309 4.168 0 50 EIAA C[C@@H](C1CC1)n1cc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 186339677 UGTSLJLESIJSRQ-AWEZNQCLSA-N 336.439 4.297 0 50 EIAA Clc1csc(CNc2nnc(CCOc3ccccc3)o2)c1 192752803 RFOKVCHSWLOCFW-UHFFFAOYSA-N 335.816 4.018 0 50 EIAA Cc1cccnc1[C@@H](NC(=O)c1cc(O)c2ccccc2c1)C(C)C 241132741 JLIYJWAUWIUDHD-IBGZPJMESA-N 334.419 4.376 0 50 EIAA O=C(OCc1cnccc1Cl)c1cnc(-c2ccccc2)s1 253424529 HOMKVHXNNDVDCC-UHFFFAOYSA-N 330.796 4.216 0 50 EIAA O=C1CCC(O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 261508898 YBEJFEAUNCBJTA-UHFFFAOYSA-N 326.236 4.055 0 50 EIAA Cc1cc2cc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)oc2cc1C 263464572 CKIPSYKSFMODJM-JLSDUUJJSA-N 327.424 4.267 0 50 EIAA Fc1cc(Br)cc(Br)c1OC(F)(F)F 263623676 JPMKZQSQQMAUCD-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA O=C1CC[C@H](CCNCc2ccccc2)N1Cc1ccc(Cl)cc1 299770878 NRFTWJDRVXQOOK-LJQANCHMSA-N 342.870 4.011 0 50 EIAA O=[S@@](Cc1cccc(Nc2ncnc3[nH]ccc23)c1)c1ccccc1 360357331 ZUIOGUZZXJZSHF-VWLOTQADSA-N 348.431 4.009 0 50 EIAA Cc1ncc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c(C2CC2)n1 366956166 SWEGAUJHROZBJD-KDOFPFPSSA-N 335.451 4.071 0 50 EIAA Cc1cnc(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cn1 374744813 TYDFYUQIEQLHSN-UHFFFAOYSA-N 348.233 4.021 0 50 EIAA Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1cnc2n1CCCC2 375266688 GPHRMJWMVCCIJV-QGZVFWFLSA-N 345.874 4.185 0 50 EIAA CC1(C)C[C@@H](NC(=O)c2[nH]c3ccc(F)cc3c2Cl)C(C)(C)O1 408138515 JXGOLGWQQBVEAF-GFCCVEGCSA-N 338.810 4.036 0 50 EIAA O=C(CCCC(F)(F)F)N1CCCC[C@H]1c1nc2ccccc2[nH]1 456697966 OFYSBJBTGCHLQP-AWEZNQCLSA-N 339.361 4.349 0 50 EIAA O=C(CSc1ccncc1)N[C@@H]1CCCC[C@H]1c1ccccc1 500903069 QUYWBBHUNSXOKU-ZWKOTPCHSA-N 326.465 4.016 0 50 EIAA C[C@H](N)c1ccc(C(=O)N2CCC3(CCc4ccccc4C3)CC2)cc1 653178705 JPONROUCUPXYQK-KRWDZBQOSA-N 348.490 4.118 0 50 EIAA CCn1cc(N(CC(C)C)C(=O)c2ccc(F)c3occc23)cn1 821933953 ACZCUNOOSWHMHR-UHFFFAOYSA-N 329.375 4.091 0 50 EIAA CC(C)(NC(=O)Nc1nc2ccc3scnc3c2s1)C(F)F 934015227 SZNQRPOIVSGNTF-UHFFFAOYSA-N 342.396 4.071 0 50 EIAA Clc1ccncc1CNC[C@H](c1ccccc1)N1CCCCCC1 952863913 GTMHCNQXSFUGOA-HXUWFJFHSA-N 343.902 4.442 0 50 EIAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CC[C@H]1c1cccs1 952971624 UVEHPKROCLITAR-AWEZNQCLSA-N 348.855 4.012 0 50 EIAA Oc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc1Cl 1857686427 WIFLDOVTWLFFIM-DOTOQJQBSA-N 345.874 4.174 0 50 EIAA Cc1[nH]c2ccc(CN[C@@H](C)c3n[nH]cc3Br)cc2c1C 2325796318 IQNSUQQCBODGLP-NSHDSACASA-N 347.260 4.121 0 50 EIAA CC[C@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 37591 QGSYKXHKLKHRJM-ZDUSSCGKSA-N 333.815 4.490 0 50 EIAA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(F)cc1 38198 LCULPVJSPYZTPH-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA COc1ccc(OC)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 82269 OMUMGPUBJZQKFV-UHFFFAOYSA-N 340.301 4.367 0 50 EIAA O=C(COc1ccccc1Br)Nc1cccc(Cl)c1 141212 BBWPJWLRUJTXJW-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA CC(=O)c1ccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 210853 PHASBTRHBCCVFZ-UHFFFAOYSA-N 336.479 4.335 0 50 EIAA Cc1c(OC(=O)c2cccs2)ccc2c3c(c(=O)oc12)CCCC3 316555 FERMBOISUMTLDM-UHFFFAOYSA-N 340.400 4.261 0 50 EIAA COc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1OC 364253 LICXZRUDIRJVDU-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccco1 375989 RWJHKSYMLVIAJY-LBPRGKRZSA-N 328.418 4.394 0 50 EIAA COc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1OC 818056 IAJFNCNVJVKECD-OAQYLSRUSA-N 349.434 4.465 0 50 EIAA CCCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 1906249 MVHJYAJSVUOJKK-INIZCTEOSA-N 333.435 4.357 0 50 EIAA Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 2469421 XOVSCQKRPUJKGX-ZDUSSCGKSA-N 345.826 4.454 0 50 EIAA O=C(OCC(=O)c1cccc2ccccc12)c1ccc2ccccc2n1 3310626 JGXPUYUCYSJVAR-UHFFFAOYSA-N 341.366 4.428 0 50 EIAA COc1ccc(C(C(=O)O)(c2ccccc2)c2ccccc2)cc1OC 4342561 MASNQQWEUQCPGQ-UHFFFAOYSA-N 348.398 4.123 0 50 EIAA CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 6010568 JDZAMXMKWJLERB-AWEZNQCLSA-N 348.402 4.204 0 50 EIAA CCc1ccc(NC(=S)Nc2sc(C)cc2C(=O)OC)cc1 6283938 RSSIABDSBBDVDY-UHFFFAOYSA-N 334.466 4.214 0 50 EIAA CCCSc1nnc(NC(=O)c2oc3ccccc3c2C)s1 11692730 CGFMITDCMZWNRO-UHFFFAOYSA-N 333.438 4.347 0 50 EIAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(O)cc3)C2)cc1 14960729 HFGABUYPFWXEFG-KRWDZBQOSA-N 341.476 4.209 0 50 EIAA COc1ccc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)cn1 19939908 CCLDMHVONKSESZ-UHFFFAOYSA-N 342.402 4.064 0 50 EIAA CC(C)c1cccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1 33321047 GVAYTZMTCWMJGT-UHFFFAOYSA-N 345.752 4.468 0 50 EIAA COc1ccc(Oc2cccc(C(C)=O)c2)cc1CN1CCCC1 67491153 OSXUMGFHKHQBTI-UHFFFAOYSA-N 325.408 4.286 0 50 EIAA O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@H]23)cc1 103544482 VUIVNIRTYXJXCX-XOKHGSTOSA-N 329.783 4.283 0 50 EIAA O=C(O)CCCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 132574082 LUQGEJMOFJWQSU-SFHVURJKSA-N 329.827 4.304 0 50 EIAA O=C(Cc1c[nH]c2ccccc12)NCC1(c2cccc(Cl)c2)CC1 154823470 MYYVTJYICGPOJE-UHFFFAOYSA-N 338.838 4.212 0 50 EIAA CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc3sncc3c2)C1 170609543 ZSSCLGOPEOEKRM-OCCSQVGLSA-N 335.498 4.482 0 50 EIAA C[C@@H](CNc1nnc(-c2ccccn2)s1)Oc1ccc(Cl)cc1 302168783 SSJDKKPBZSTXSG-NSHDSACASA-N 346.843 4.133 0 50 EIAA Cc1ccc([C@@H](C)NC(=O)N(C)CCCSc2ccccc2)cn1 426628655 AEAPQYCORVNBAK-MRXNPFEDSA-N 343.496 4.275 0 50 EIAA Oc1nc(/C=C/c2cnn(CC3CCC3)c2)nc2cccc(Cl)c12 899389517 MCWYOPLCRBOZNM-BQYQJAHWSA-N 340.814 4.156 0 50 EIAA Cc1ccc(N2CCC(NCCC[C@@H]3CCOC3)CC2)cc1Cl 1506400525 NNOWZBCHVXGNAO-MRXNPFEDSA-N 336.907 4.024 0 50 EIAA CC(=O)c1cc(CC(=O)Nc2onc(-c3ccccc3)c2C)cs1 1529172859 QNKSVJVIRZFGFQ-UHFFFAOYSA-N 340.404 4.095 0 50 EIAA Cc1ccc(-c2cc(NC(=O)c3ccc(-c4ccncc4)cc3)n[nH]2)o1 1875339313 ZWQWIVGZQYVPFJ-UHFFFAOYSA-N 344.374 4.292 0 50 EIAA C[C@@]12CC3(F)CC(NCc4nc(C5CCC5)no4)(C1)C[C@](C)(C3)C2 2325802522 MDZJVLORAHXUCH-LPOKXYRGSA-N 333.451 4.268 0 50 EIAA Cc1ccc(S(=O)(=O)NN(c2ccccc2)c2ccccc2)cc1 102367 KXAFXMXACBYLEC-UHFFFAOYSA-N 338.432 4.027 0 50 EIAA COc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1OC 193517 FNZZIPSTWXYXLG-UHFFFAOYSA-N 342.420 4.183 0 50 EIAA COc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2C(C)=O)c1 312650 CXYJOYPGFKKTAE-UHFFFAOYSA-N 325.408 4.448 0 50 EIAA Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 358832 KPOGXGKCFHKLFX-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1Cl 472272 WVPCOUOKACFGGJ-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccccc1Cl 1059351 LIXMNTAWQWKLCQ-UHFFFAOYSA-N 345.761 4.100 0 50 EIAA O=S(=O)(Nc1cccc2cccnc12)c1ccc2ccccc2c1 1137799 MAZMYJGUAOTQGL-UHFFFAOYSA-N 334.400 4.189 0 50 EIAA CN(C)CCC[C@@]1(O)c2ccccc2Sc2ccc(Cl)cc21 5019318 YJINNJOMTOJZBH-GOSISDBHSA-N 333.884 4.382 0 50 EIAA CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cccs2)s1 8739711 CXFSQEUKDVWRAW-GFCCVEGCSA-N 329.450 4.394 0 50 EIAA CCc1nn(-c2ccccc2)c2ncc3cc(OC)c(OC)cc3c12 19809366 QTOCDEJRYSXXCT-UHFFFAOYSA-N 333.391 4.153 0 50 EIAA OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccsc2)CC1 72147457 LYMVDCHVHXSEPD-UHFFFAOYSA-N 341.398 4.251 0 50 EIAA c1ccc2sc(-c3nccn3Cc3nnc4n3CCCCC4)cc2c1 72447882 NTLAGLMGCFLZLK-UHFFFAOYSA-N 349.463 4.131 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)CCCOc2ccccc2)c(C)s1 91987327 ZMVQYFJQYXVJMS-ZDUSSCGKSA-N 332.469 4.139 0 50 EIAA Cc1cc2cc(C(=O)N[C@@H]3CCCc4sc(C)nc43)ccc2o1 92098218 YLBWPBATBWTAAS-CQSZACIVSA-N 326.421 4.314 0 50 EIAA CCCCn1ccnc1[C@H]1CCCN(c2cc(CCC)nc(C)n2)C1 95502969 XUKSKSSBSSRXMX-KRWDZBQOSA-N 341.503 4.118 0 50 EIAA CCCn1ccc2cc(NC(=O)[C@@H](OC)c3ccc(O)cc3)ccc21 170596519 FEZGKPKKIPJRBH-IBGZPJMESA-N 338.407 4.083 0 50 EIAA O=C(N[C@@H]1CCCOc2ccccc21)N1CCC[C@@]2(CC=CCC2)C1 170626925 ZPXKPVZRUPWLKM-NQIIRXRSSA-N 340.467 4.432 0 50 EIAA CCCC[C@@H](C)C(=O)N1CCC(c2nccc(C(F)(F)F)n2)CC1 225703125 GYCIQVZZTQIYQQ-GFCCVEGCSA-N 343.393 4.028 0 50 EIAA C[C@@H]1CC[C@@H](Sc2nnc(-c3ccncc3)n2CC(F)(F)F)C1 272375954 CQMNCCWEBQXMRJ-ZYHUDNBSSA-N 342.390 4.183 0 50 EIAA CSc1ccccc1-c1ccc(C(=O)NC[C@H]2CCCOC2)cc1 426523481 NDOQQUKIRMDBQI-OAHLLOKOSA-N 341.476 4.232 0 50 EIAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1cc2sccc2[nH]1 828146932 GZUQKBAGYFGQKX-GFCCVEGCSA-N 342.420 4.040 0 50 EIAA CC(C)(C)c1nccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)n1 888100843 AQOSXTBWIUZCAY-GHMZBOCLSA-N 329.366 4.081 0 50 EIAA C[C@@H](NCc1ccc2c[nH]nc2c1)c1cc(Cl)cc2c1OCC2 922986738 KSPDCPSQGHKPNW-LLVKDONJSA-N 327.815 4.002 0 50 EIAA CN1C[C@@H]2C[C@H](N(C)Cc3ccccc3-c3ccccc3)C[C@@H]2CC1=O 1529168822 MTNUWCJPXUMJEH-QHAWAJNXSA-N 348.490 4.042 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1c(C)cc(C)cc1C)C2 1704298311 JKAWMMCZZAYUTG-YLJYHZDGSA-N 330.472 4.425 0 50 EIAA CC(=Cc1cccc(C(=O)O)c1Cl)c1nc(O)c2ccsc2n1 1857530025 AKXOFMDQVZJOJZ-UHFFFAOYSA-N 346.795 4.309 0 50 EIAA CC1(C)CCC[C@H]1c1noc(-c2cc3nccc(C(F)F)n3n2)n1 2325774460 GYIQJDVNRCOYJC-VIFPVBQESA-N 333.342 4.011 0 50 EIAA COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1Cl 374356 SGNGUDXRUQKQAB-UHFFFAOYSA-N 327.714 4.202 0 50 EIAA COc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1 454693 CIBMUAHWEUGSLV-UHFFFAOYSA-N 347.370 4.313 0 50 EIAA O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)cc1F 475815 SCBRSZILLDINDD-FPYGCLRLSA-N 338.151 4.379 0 50 EIAA Cn1c([C@@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 561753 DOHMKENCDAVGRQ-MRXNPFEDSA-N 341.414 4.247 0 50 EIAA COc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1180435 OOXLGKHDXVGDJJ-CQSZACIVSA-N 341.451 4.492 0 50 EIAA O=C(COc1ccccc1Cl)Nc1ccccc1C(F)(F)F 2172818 SOYOPPQBMLGNJK-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA CCC(C(=O)Nc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F 2831423 OYXMHTIPIZXYCE-UHFFFAOYSA-N 329.240 4.155 0 50 EIAA biogenic O=C(N[C@H]1Sc2ccccc2N=C1c1ccccc1)c1ccco1 5091826 PWZDPVKOKZGYAB-IBGZPJMESA-N 334.400 4.262 0 50 EIAA COc1cccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)c1 5516425 UINHIYRGCUWIDQ-UHFFFAOYSA-N 330.391 4.457 0 50 EIAA FC(F)(F)c1cccc(Cc2nnc(S)n2-c2ccccc2)c1 5687920 AYAYMNNHDDTQDQ-UHFFFAOYSA-N 335.354 4.166 0 50 EIAA CCCc1sc(C(=O)NCc2cccs2)cc1Br 6636441 QPYMPLMFASICAD-UHFFFAOYSA-N 344.299 4.455 0 50 EIAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc2ccccc12 6662122 HJTBOMBCRYFWSW-UHFFFAOYSA-N 343.386 4.162 0 50 EIAA CC(C)c1nc2cc(C(=O)NCc3ccc(F)cc3F)ccc2o1 12577828 VFOYSIWMUAVYEE-UHFFFAOYSA-N 330.334 4.159 0 50 EIAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)C(C)(C)C 14968964 JSORHHWLNQTDED-INIZCTEOSA-N 339.483 4.357 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)sc2c1 16603701 VONLGAFYRRFQAJ-QWRGUYRKSA-N 337.872 4.367 0 50 EIAA COC[C@@H](C)NC1CCN(c2ccc(-c3cccc(C)c3)cc2)CC1 19228502 NHMFMOKLGNLTTJ-GOSISDBHSA-N 338.495 4.255 0 50 EIAA COc1ccc(-c2cccc(-c3ccn(Cc4nccs4)n3)c2)cn1 19229155 YHTLMYOYVRZNKP-UHFFFAOYSA-N 348.431 4.126 0 50 EIAA Cc1cccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)c1 19831799 ZVTJTYCVECEWJS-UHFFFAOYSA-N 344.458 4.106 0 50 EIAA COc1ccc2nc(NC(=O)c3ccc(CSC)o3)sc2c1 20864095 BYAGLKUSJVKNJX-UHFFFAOYSA-N 334.422 4.013 0 50 EIAA C[C@@H](CCCC(C)(C)O)CCNC[C@@H]1CCN(c2ccccc2)C1 32582123 HVSLWNDFMZVPDM-OALUTQOASA-N 332.532 4.070 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)c2scnc2C)CC1 77354603 QNGYEYSLTVBMBJ-UHFFFAOYSA-N 332.494 4.157 0 50 EIAA CC(=O)c1cc(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cs1 77422533 LPWGBNVGVOKBJI-KRWDZBQOSA-N 345.439 4.386 0 50 EIAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)cc1 77520631 CHIZGQHQQSMYKE-FQEVSTJZSA-N 340.442 4.255 0 50 EIAA COc1cccc([C@@H]2CCCCN2C(=O)c2ccc3nccnc3c2)c1 77537496 VOVKGOSGHCHLQM-FQEVSTJZSA-N 347.418 4.006 0 50 EIAA c1ccc2c(N3CCC[C@H](c4nccn4CC4CC4)C3)nccc2c1 82166414 IFQUTTNFERMKSX-SFHVURJKSA-N 332.451 4.225 0 50 EIAA Cc1cc(C)c(NC(=O)N[C@H](C)c2nncn2C(C)C)c(Cl)c1 96139198 LTQUSQASNZDQAF-GFCCVEGCSA-N 335.839 4.012 0 50 EIAA O=C(C[C@@H]1CCOc2ccccc21)Nc1ccccc1N1CCCC1 117577644 JXEJJCIBAWQMRX-INIZCTEOSA-N 336.435 4.182 0 50 EIAA C[C@H](c1nc(-c2ccccc2)cs1)N(C)Cc1ncc(Cl)n1C 170602817 JIYQYCGLUCZERG-GFCCVEGCSA-N 346.887 4.390 0 50 EIAA CSc1cccc(F)c1C(=O)N[C@H](C)c1nc(C2CCCC2)no1 241409042 NEAYVXZKUFPWKP-SNVBAGLBSA-N 349.431 4.079 0 50 EIAA Cc1csc(=Nc2ccccc2)n1CC(=O)c1ccc(F)cc1 254517279 QTFHPXBOMWAHMU-UHFFFAOYSA-N 326.396 4.112 0 50 EIAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)C1 263340709 RVKJXRGBHORECB-OLLMXWKRSA-N 347.480 4.033 0 50 EIAA C[C@H](CC(=O)N(Cc1ccncc1)C1CC1)c1c[nH]c2ccccc12 278463712 PKDSCYSBQMRSHX-OAHLLOKOSA-N 333.435 4.248 0 50 EIAA CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCc4ccccc43)cc2[nH]1 426486027 ULZHROXXLDHYDS-MRXNPFEDSA-N 334.423 4.495 0 50 EIAA Cn1ncc(C2CCC2)c1C(=O)Nc1cccc(Oc2ccccc2)n1 889470494 ZLENFNZJEVHPMQ-UHFFFAOYSA-N 348.406 4.127 0 50 EIAA CCCn1c(C)nc2cc(NC(=O)c3cccc(OC)c3F)ccc21 952974421 NXJVIINIVKNWBT-UHFFFAOYSA-N 341.386 4.155 0 50 EIAA COc1ccc(F)c2[nH]c(C(=O)N[C@@H](C)c3cccc(C)c3C)cc12 1146226263 LRLNVLLIMOKUJN-ZDUSSCGKSA-N 340.398 4.423 0 50 EIAA Cc1cccnc1[C@@H](C)NC(=O)Nc1ccc(Nc2ccccc2)cn1 1467061808 VJSBOOOBDDADGR-OAHLLOKOSA-N 347.422 4.411 0 50 EIAA COc1c(C)cc(Nc2ccc(O)c(-c3nnc(C)o3)c2)cc1C 2356143958 DMPVBIAVSYWNII-UHFFFAOYSA-N 325.368 4.120 0 50 EIAA CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccco3)s2)cc1 51901 GEXJGTYCWDBRFP-UHFFFAOYSA-N 327.409 4.348 0 50 EIAA COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)C23CCCC3)cc1 111938 KNCCXERJPCMRDH-LJQANCHMSA-N 337.419 4.352 0 50 EIAA biogenic CCc1cccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 145586 XAHUZLWSEAYFDQ-UHFFFAOYSA-N 338.451 4.257 0 50 EIAA Cc1ccc(Cl)c(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 243131 AGJJHWAJNKGRRD-HNNXBMFYSA-N 344.842 4.055 0 50 EIAA Cc1ccc(Cn2/c(=N/C(=O)C3CCCCC3)[nH]c3ccccc32)cc1 315370 FQLOBXYQZKLUSW-UHFFFAOYSA-N 347.462 4.334 0 50 EIAA COc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 333047 JDFHIKIRIASUFG-KRWDZBQOSA-N 346.430 4.276 0 50 EIAA OCc1cc(Cl)ccc1OCc1ccc(Br)cc1 473343 UWUBCPWUVWHEMV-UHFFFAOYSA-N 327.605 4.174 0 50 EIAA COC(=O)[C@@H](C(=O)Nc1cccc(Cl)c1C)C1CCCCCC1 616291 DRSJUWFJYSNEFF-MRXNPFEDSA-N 337.847 4.347 0 50 EIAA CCOc1ccc([C@H]2C[C@H](c3ccc(CC)cc3)Nc3ncnn32)cc1 616871 FVYQPYUIAUUJQU-WOJBJXKFSA-N 348.450 4.386 0 50 EIAA CCOC(=O)c1ccc(NC(=S)NCc2cccc(Cl)c2)cc1 2851369 PKMSPCFDXRQZET-UHFFFAOYSA-N 348.855 4.003 0 50 EIAA Cc1cc(=O)oc2cc(OC(=O)c3oc4ccccc4c3C)ccc12 3017256 ZSMQECHALKAQPP-UHFFFAOYSA-N 334.327 4.375 0 50 EIAA CCOc1ccccc1NC(=O)CSc1ccc2ccccc2n1 5627387 KCRDTKNZUZJPCL-UHFFFAOYSA-N 338.432 4.364 0 50 EIAA CC(C)c1nnc(SCc2csc(-c3ccccc3)n2)n1C 5977387 QECOFOBOCMTVNH-UHFFFAOYSA-N 330.482 4.354 0 50 EIAA COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccccc2)n1 6464094 AYPJWSDBHRDTJL-UHFFFAOYSA-N 331.828 4.426 0 50 EIAA c1ccc(COc2ccc(-c3noc(-c4cccnc4)n3)cc2)cc1 6697913 YQEIMRWVIJAOTH-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA Cc1ccc(-c2noc(CN(C)C(=O)Nc3ccccc3C)n2)cc1 6745595 SEKQJOLJSZBPTG-UHFFFAOYSA-N 336.395 4.017 0 50 EIAA CCOC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18106435 YNNAVLGZRMNKDA-UHFFFAOYSA-N 327.767 4.025 0 50 EIAA in-vitro CCc1cnc(-c2cccc(-c3ccn(Cc4ccncc4)n3)c2)nc1 19146772 XGKIKQZXSNKESW-UHFFFAOYSA-N 341.418 4.013 0 50 EIAA O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2ccccc2)s1 24022175 KTRYFZBQYYWOOE-UHFFFAOYSA-N 327.434 4.396 0 50 EIAA CN(C)C(=O)CCc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 30766102 OMKBCJCTZORRTK-UHFFFAOYSA-N 345.830 4.005 0 50 EIAA Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2ccnc2)cc1 38849646 INAHZWDLEUMVQE-UHFFFAOYSA-N 325.799 4.146 0 50 EIAA Cc1cccc(-c2ncc(CN[C@@H](C)c3cn4ccsc4n3)cn2)c1 55211574 OPGLTOHHOUIKHE-AWEZNQCLSA-N 349.463 4.012 0 50 EIAA CC[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CCCC2)c1 55385060 HEJXKECMXYEEDX-GOSISDBHSA-N 328.456 4.220 0 50 EIAA CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 67567276 JFKSOPVUOHNOJJ-FUHWJXTLSA-N 337.423 4.021 0 50 EIAA CC1(C)C[C@H](c2nccn2CC2CCN(C3CCCC3)CC2)CCO1 71747976 GVLVEVRYBBGOFZ-GOSISDBHSA-N 345.531 4.210 0 50 EIAA Cc1cc(OC(C)(C)c2nc([C@H]3CCOC3)no2)cc(C)c1Cl 96180861 LVBAIXRMYWFGEE-LBPRGKRZSA-N 336.819 4.158 0 50 EIAA CSC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 97446927 QZIQYWKJCCBVCW-GFCCVEGCSA-N 349.887 4.495 0 50 EIAA Cc1ccc(C[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 100452419 UPSVPVGJAUEQSF-CQSZACIVSA-N 347.336 4.136 0 50 EIAA CO[C@@H](C)c1nc(COc2ccc(C(C)=O)cc2Cl)cs1 119555807 MVGYZTFCMIUUNQ-JTQLQIEISA-N 325.817 4.286 0 50 EIAA c1ccc(-n2ccnc2CNc2cccc(OC[C@H]3CCCO3)c2)cc1 191064123 XGLAWDKRUBHPAJ-HXUWFJFHSA-N 349.434 4.042 0 50 EIAA O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 215067542 ZWASSPWNXPSMPY-FQEVSTJZSA-N 338.426 4.403 0 50 EIAA O=C(CC1CCC2(CC1)OCCO2)N1CCCC[C@@H]1c1ccccc1 276495273 WLDCMAQBYWOPAB-LJQANCHMSA-N 343.467 4.064 0 50 EIAA CC(C)c1nc([C@H]2CCCCCN2c2cnc3ccccc3n2)no1 329370834 IVJWOQDTCCUDFJ-MRXNPFEDSA-N 337.427 4.258 0 50 EIAA Cc1nc2cc(CNCc3ccc([C@@H]4CCCCO4)o3)ccc2n1C 952968472 CIHKZNLPLMVAQY-IBGZPJMESA-N 339.439 4.006 0 50 EIAA Cc1ccc(CN(C(=O)[C@H]2CCCCCN2C)C2CCCC2)s1 952973734 AFVWEVQOKRGHIP-GOSISDBHSA-N 334.529 4.202 0 50 EIAA CCCCc1ncc(CNCCCc2nc3ccc(Cl)cc3[nH]2)[nH]1 952977184 XFYMCOVZMFIEBZ-UHFFFAOYSA-N 345.878 4.004 0 50 EIAA COc1cccc([C@@H](C)N(C)Cc2cncn2Cc2ccccc2)c1 1529189807 YSACTRWLBYKLET-QGZVFWFLSA-N 335.451 4.133 0 50 EIAA Fc1cccc2ccc(-c3nccn3CCCNc3cccnc3)nc12 1857691561 QESCVHSOVGECLB-UHFFFAOYSA-N 347.397 4.135 0 50 EIAA Cc1ccc2cccc(OS(=O)(=O)c3cc(C)c(C)cc3C)c2n1 1875317515 ANCYWMRYAQFJPZ-UHFFFAOYSA-N 341.432 4.236 0 50 EIAA Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)ccn2)cc1 114897 ICHWMYZYOBOOGZ-UHFFFAOYSA-N 327.387 4.065 0 50 EIAA CCN1C(=O)c2cccc3c(NC(=O)c4ccccc4C)ccc1c23 138944 LSYXIDLMMVCHPB-UHFFFAOYSA-N 330.387 4.381 0 50 EIAA S=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1Cl 450646 GDDUNLMSMXLCLV-UHFFFAOYSA-N 329.856 4.350 0 50 EIAA Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2cccc3ccccc23)n1 621514 AEHYRVFQSRZYHZ-AWEZNQCLSA-N 337.448 4.366 0 50 EIAA Cc1ccc(S(=O)(=O)CCCCCCCCCCCO)cc1 2867292 UTMQQROFQLQDMQ-UHFFFAOYSA-N 326.502 4.272 0 50 EIAA CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3ncnn32)cc1 2870739 KMNZVUHMUWNSPV-PMACEKPBSA-N 348.450 4.440 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 2995434 XQGVAKBBLAGSJZ-UHFFFAOYSA-N 341.407 4.293 0 50 EIAA CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)O 5978183 HYBPXYQCXNOTFK-JLNUFZAQSA-N 340.504 4.296 0 50 EIAA in-vitro CC(=O)Nc1cccc(NC(=O)CSCc2ccccc2Cl)c1 6701709 APOIJEFPZFHXDG-UHFFFAOYSA-N 348.855 4.170 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1C 6701993 OKVQGMKMGTXMJS-UHFFFAOYSA-N 336.395 4.099 0 50 EIAA O=C(CCc1cccnc1)N1CCC[C@H](CCc2cccc(F)c2)C1 11818055 IARURWYKLLHIAV-LJQANCHMSA-N 340.442 4.025 0 50 EIAA O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H]1c1cccc(F)c1 21791442 XHGFJWDJINQRMV-SFHVURJKSA-N 336.366 4.458 0 50 EIAA c1csc(CN2CCCN(Cc3cc4ccccc4o3)CC2)c1 72163301 YEJFEZOEEHDPIA-UHFFFAOYSA-N 326.465 4.202 0 50 EIAA Cc1cccc([C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)c1 72477410 ZNRGNWVTIROSLE-SFHVURJKSA-N 341.524 4.431 0 50 EIAA C[C@H](Cc1cncs1)NC(=O)c1ccc(-c2ccccc2Cl)o1 91586611 JTHLZELXHGZQCA-LLVKDONJSA-N 346.839 4.418 0 50 EIAA Cc1c(Cl)cc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1Cl 92019516 DTRLNVGPIZDQKY-CYBMUJFWSA-N 330.255 4.333 0 50 EIAA Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)[nH]c2ccccc12 146412332 KRZQOYODMFAQMZ-UHFFFAOYSA-N 346.308 4.108 0 50 EIAA C[C@H](Nc1cc(Cl)cc2c1OCC2)c1nnc(-c2ccccc2)o1 164402648 IYBREVLNLHXQQA-NSHDSACASA-N 341.798 4.498 0 50 EIAA Cc1cc2c(cc1NC(=O)N1CCC[C@@H]1c1cccs1)OCO2 180084514 ORVMMDCNTROPHE-CYBMUJFWSA-N 330.409 4.154 0 50 EIAA CSc1cccc(C)c1NC(=O)N[C@@H]1CCOC2(CCCC2)C1 184945689 OYWJXJAXGJYMAH-CQSZACIVSA-N 334.485 4.330 0 50 EIAA C[C@@H](Sc1cccc(O)c1)C(=O)N1CCC[C@H]1c1cccs1 185683350 RINRAXJFCGPUTC-DOMZBBRYSA-N 333.478 4.298 0 50 EIAA Cn1cc(C2CCN(Cc3ccc(F)c(Cl)c3Cl)CC2)cn1 225465139 ZAWBQNIHFZXBNI-UHFFFAOYSA-N 342.245 4.246 0 50 EIAA CC[C@H](C)c1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 239173590 OFOLNAZBRRZPJO-FXELPECLSA-N 343.467 4.124 0 50 EIAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1(C)C 239782419 COKKROBPINNDRC-RFQIPJPRSA-N 335.410 4.017 0 50 EIAA O=C(Nc1ccc(Nc2ncccn2)cc1)c1cccc(C(F)F)c1 444420256 QQVCTEDTEGBJCR-UHFFFAOYSA-N 340.333 4.410 0 50 EIAA COc1cc(C)c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1C 444610087 PHMLGJPTWWDTCQ-UHFFFAOYSA-N 349.434 4.367 0 50 EIAA O=C(CCCC1CCCC1)N1C[C@H](n2cccn2)Cc2ccccc21 464421934 SUABIDQBENQBDA-LJQANCHMSA-N 337.467 4.374 0 50 EIAA Cc1nc2cc(NC(=O)N[C@@H]3CCc4c(O)cccc43)ccc2s1 781490155 CEPGURCSCKINKK-CQSZACIVSA-N 339.420 4.119 0 50 EIAA CCCn1ncc(NC(=O)N[C@@](C)(CC)C(F)(F)F)c1C1CC1 933518402 FEOHWBRBOFLOFN-AWEZNQCLSA-N 332.370 4.023 0 50 EIAA Nc1sc(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cc1 1875343045 OELPXROMQIUZMH-UHFFFAOYSA-N 329.812 4.298 0 50 EIAA CCOC(=O)[C@H]1CCCN(c2cc(C)c3cccc(SC)c3n2)C1 228045 IAVVTAZPWSYZIU-AWEZNQCLSA-N 344.480 4.045 0 50 EIAA O=C(CSc1nc2cc(Cl)ccc2s1)NC1CCCCC1 271455 VJKFGXIRNIFJEJ-UHFFFAOYSA-N 340.901 4.491 0 50 EIAA Cc1oc2ccc(O)cc2c1C(=O)c1ccc(Br)cc1 446183 BQJQUXCHZULJOI-UHFFFAOYSA-N 331.165 4.440 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(C)c1 566812 SZEVDMYSUJIKCL-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA Clc1ccc(Cc2nc(-c3ccc(Br)o3)no2)cc1 1426576 MVLYIGAEXWUWPZ-UHFFFAOYSA-N 339.576 4.336 0 50 EIAA CC(=O)Nc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1 2948221 SZFDNRMZJMHRQQ-UHFFFAOYSA-N 325.799 4.210 0 50 EIAA CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 4623738 VNYSSYRCGWBHLG-AMOLWHMGSA-N 336.472 4.158 0 50 EIAA endogenous,investigational CCc1c(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)csc1C 4750192 IJBDLLCYCVNXJE-UHFFFAOYSA-N 343.427 4.255 0 50 EIAA Cc1nc2c(-c3ccccc3)cnn2c(NCc2ccccn2)c1C 5271601 SKCOLJKOMWJADE-UHFFFAOYSA-N 329.407 4.020 0 50 EIAA Cc1ccc(-c2n[nH]cc2CN[C@@H](C)Cc2ncccc2C)cc1C 19774028 CBACZDMNUFOHFW-KRWDZBQOSA-N 334.467 4.118 0 50 EIAA O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(F)cc1 20138192 YNZLPBPOCVQQGD-UHFFFAOYSA-N 345.757 4.484 0 50 EIAA CC[C@H](CO)N(Cc1ccsc1)C(=O)c1cccc(C)c1Cl 55132517 IQSUIXDYYOTRDC-CQSZACIVSA-N 337.872 4.123 0 50 EIAA Cc1nnc(-c2cccc(-c3ccc([C@@H](C)N4CCOCC4)cc3)c2)o1 67935239 QSHBNPCHGPYYNS-OAHLLOKOSA-N 349.434 4.105 0 50 EIAA CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)s1 77321637 VTWYRAFRDXSTCU-HNNXBMFYSA-N 331.412 4.457 0 50 EIAA Cc1cc2cc(C(=O)N(C/C=C/c3ccccc3)CCCO)ccc2o1 91440012 QVDFUINSIRKJIJ-WEVVVXLNSA-N 349.430 4.279 0 50 EIAA O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[C@@H]2OCCC[C@H]2C1 121582224 HHYPIMYFPZHHBA-KXBFYZLASA-N 344.455 4.041 0 50 EIAA CNc1nc(CN2CCc3c([nH]c4ccccc34)[C@@H]2C(C)C)cs1 243914738 BKECJOMOFOIXOO-SFHVURJKSA-N 340.496 4.422 0 50 EIAA O=C(Nc1cc(F)ccc1OCC1CC1)c1cccc2ncccc12 252498886 ROYHMRPKFRRKKD-UHFFFAOYSA-N 336.366 4.415 0 50 EIAA O=c1ccn(CC[C@@H]2CCCO2)c2ccc(Oc3ccccc3)cc12 289494548 ZJOIFCZKKNLPFS-INIZCTEOSA-N 335.403 4.363 0 50 EIAA O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1CCCOCC1 368470199 LBPOEKZDHGUZOD-LLVKDONJSA-N 336.844 4.219 0 50 EIAA Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)n2ncnc21 925099392 WJCSJCFOMPAYRF-XIRDDKMYSA-N 338.480 4.227 0 50 EIAA Brc1cccc2sc(I)cc12 953066068 KYUIIXSJHDBAFB-UHFFFAOYSA-N 338.995 4.268 0 50 EIAA O=C(O)CC(=Cc1cncs1)c1nc2cc(Cl)ccc2s1 1857530049 HKZNQPUUDZVTFE-UHFFFAOYSA-N 336.825 4.422 0 50 EIAA COC1(C(F)(F)F)CC(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 1875353842 HYJPSDRYFQQZRC-UHFFFAOYSA-N 341.251 4.001 0 50 EIAA Cc1ccc(-n2nc3c(c2N)[C@@H]2Sc4ccccc4N2CCC3)cc1 1875390585 VUJXHVCYZDWONP-FQEVSTJZSA-N 348.475 4.320 0 50 EIAA CN(CCCn1ccnc1)c1ncc(-c2ccc(Cl)cc2)s1 2325855377 VNKJCOPWLQPWOG-UHFFFAOYSA-N 332.860 4.187 0 50 EIAA Cn1ccc(CSc2ccccc2C(=O)N[C@H]2CC[C@H](C)CC2)n1 2325895293 TWXQFACPFAIBJL-SHTZXODSSA-N 343.496 4.021 0 50 EIAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F 64301 ISSDLEBCNDPLKV-SOFGYWHQSA-N 335.281 4.086 0 50 EIAA O=C1N[C@H](c2cccc(OCc3ccccc3)c2)Nc2ccccc21 410054 UFQXXOKTNXKMSO-HXUWFJFHSA-N 330.387 4.120 0 50 EIAA COc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1OC 442647 PNQWWDMWMZTVAY-UHFFFAOYSA-N 340.379 4.107 0 50 EIAA COC(=O)c1ccc(C)c(NC(=O)CSc2ccc(Cl)cc2)c1 478886 NCRMBFPOSIYWRU-UHFFFAOYSA-N 349.839 4.166 0 50 EIAA Cc1nn2c(N3CCCCC3)c3c(nc2c1-c1ccccc1)CCC3 2334123 NLWDXLULQPRVBM-UHFFFAOYSA-N 332.451 4.184 0 50 EIAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1 4840190 XAGXWRFEDFUBLN-LBPRGKRZSA-N 334.213 4.164 0 50 EIAA CC(C)(C)c1cc(CN2CCCC[C@@H]2CO)cc(C(C)(C)C)c1O 4948521 MELWRIWLVQKXIU-MRXNPFEDSA-N 333.516 4.334 0 50 EIAA Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(C(C)C)cc1 6816580 GLABOFHGNDSVAZ-UHFFFAOYSA-N 338.386 4.091 0 50 EIAA COc1cccc(C(=O)[C@@H]2CCCN(C(=O)CC3CCCCC3)C2)c1 11767604 HQBVTLBZVKKCRR-GOSISDBHSA-N 343.467 4.087 0 50 EIAA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1cc(C)on1 13331814 YNZLUQDERWLJMT-NSHDSACASA-N 329.183 4.086 0 50 EIAA COc1cc(Nc2ncnc3sc(C)cc23)c(OC)cc1Cl 16649258 BNQWKFVVZJHIQS-UHFFFAOYSA-N 335.816 4.414 0 50 EIAA O=C(CSc1ncnc2cc(Cl)ccc12)Nc1ccccc1 16661487 FHTAZKDSHAMVMN-UHFFFAOYSA-N 329.812 4.014 0 50 EIAA FC(F)(F)c1ccccc1[C@@H](c1ccccc1)N1CCCNCC1 22028441 BVUVQBAYRZKXCJ-GOSISDBHSA-N 334.385 4.090 0 50 EIAA in-vitro Cc1ccc2ncccc2c1CN1CCN(Cc2cccc(F)c2)CC1 72163000 YYBXYVKJYOLOFA-UHFFFAOYSA-N 349.453 4.000 0 50 EIAA CCOc1ccc(-c2ccnc(-c3ccc(F)cc3)n2)cc1C(=O)O 77470194 IRIVVCWGQTUIQZ-UHFFFAOYSA-N 338.338 4.047 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N(C)Cc3cnc4ccccn34)[nH]c12 92046306 GFROMYMKDUDAOF-UHFFFAOYSA-N 346.434 4.013 0 50 EIAA Cc1ccc2c(NC(=O)NCCCC[C@H]3CCCO3)cccc2n1 96151473 BDRNADCLIQBDSM-HNNXBMFYSA-N 327.428 4.014 0 50 EIAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 253424901 SEFCAIHZWIRMKB-ARLHZHEUSA-N 337.467 4.225 0 50 EIAA COc1ncc(Cl)c(N2CCC[C@@H]2c2nc3ccccc3s2)n1 301682820 KJSJIBDUZRZITF-GFCCVEGCSA-N 346.843 4.090 0 50 EIAA CCc1nnc(COc2cc(C(F)F)nc3ccc(Cl)cc23)o1 408516853 WLCUYSCXZNDXTO-UHFFFAOYSA-N 339.729 4.350 0 50 EIAA COc1cccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1F 534875063 UXUIXQCCJBLDFK-AWEZNQCLSA-N 329.415 4.321 0 50 EIAA CCOc1ccccc1O[C@@H]1CCN(C(=O)C2CCC3(CC2)CC3)C1 1875334697 ZZTCTKLQWQTKKQ-QGZVFWFLSA-N 343.467 4.035 0 50 EIAA O=C(NC1C[C@H]2CC[C@H](C1)C2)c1nc(-c2ccccc2)ncc1Cl 1875358189 MPVVYFWXFHIFTP-STQMWFEESA-N 341.842 4.106 0 50 EIAA COc1cccc(-c2nc(N(C)C[C@@H]3C[C@@H]3C)c3ccccc3n2)c1 1875359036 RRFFJAAXPFRESZ-HOCLYGCPSA-N 333.435 4.398 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 303473 XWIYZKIKPBDAHC-UHFFFAOYSA-N 340.423 4.465 0 50 EIAA Cc1cc(C)cc(C[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 435525 LIMAMPGWZLQTOH-INIZCTEOSA-N 341.838 4.387 0 50 EIAA O=C(NCCc1ccccc1)c1cc(Br)ccc1Cl 621206 XIDZPHYYTSNUIO-UHFFFAOYSA-N 338.632 4.075 0 50 EIAA Nc1cc(-c2ccc(Br)cc2)nn1-c1ccc(F)cc1 1390560 MSYLCFULVALFQN-UHFFFAOYSA-N 332.176 4.023 0 50 EIAA CC(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 3908269 ARFBHIMKCQVSAZ-UHFFFAOYSA-N 340.766 4.450 0 50 EIAA CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1C 4717208 UBMUQOIKALRVBB-WBVHZDCISA-N 328.456 4.439 0 50 EIAA CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(OC)cc3)c2c1 6570122 BNOSFKGYYSUPRM-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA C[C@@H]1CCCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 6698768 CWDSOGKEOLANEU-SNVBAGLBSA-N 334.769 4.172 0 50 EIAA CN1CCC(CN(CCc2ccccc2)Cc2ccccc2F)CC1 12204251 MKLVPHLDYFLQBG-UHFFFAOYSA-N 340.486 4.212 0 50 EIAA CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccccc2Cl)no1 21719104 VCZRBNSQNSFSHD-MRXNPFEDSA-N 332.831 4.358 0 50 EIAA CC1(C)Cc2cc(-c3nnc4ccc(C(F)(F)F)cn34)ccc2O1 32553323 JFSIBEUNJJFJCN-UHFFFAOYSA-N 333.313 4.129 0 50 EIAA Fc1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 55060443 PSYKXUXIGBKBCZ-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2cc(CC)no2)cc1 64984986 IGBNVZNXHIFSKX-INIZCTEOSA-N 329.400 4.005 0 50 EIAA Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCCc2ccncc2)n1 67834217 YEBQKNHUFOFZMK-UHFFFAOYSA-N 343.434 4.276 0 50 EIAA Cc1nc2cc(NC(=O)N(Cc3nccs3)C3CC3)ccc2s1 95505389 RQNGOQPUBPZXCS-UHFFFAOYSA-N 344.465 4.258 0 50 EIAA O=C(Nc1cccc(-c2cscn2)c1)N[C@H]1COC2(CCCC2)C1 96140278 VCFLGMFRDIMMFX-OAHLLOKOSA-N 343.452 4.033 0 50 EIAA O=C(NC1CC1)c1ccc(-c2cc(OC(F)(F)F)ccc2Cl)o1 96140562 BEESMFHTZVITJY-UHFFFAOYSA-N 345.704 4.391 0 50 EIAA O=C(Nc1ccc(-c2ccccc2)nn1)c1sccc1OC(F)F 150848447 WUGQPBVTRAJFBY-UHFFFAOYSA-N 347.346 4.059 0 50 EIAA Cc1oc(-c2ccco2)nc1CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C 170609365 OXAKBRGURSBQMR-GJZGRUSLSA-N 341.407 4.321 0 50 EIAA CS[C@H](C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1 172400406 XEXNDCVODSNILC-SFHVURJKSA-N 340.448 4.004 0 50 EIAA Cc1nc(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cs1 225519313 QBJARUFDZOOAEF-UHFFFAOYSA-N 348.431 4.351 0 50 EIAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Oc2cnccn2)c1 247228742 XLNGBONCGZQDRH-IIDMSEBBSA-N 337.423 4.062 0 50 EIAA Fc1c(F)c(Cl)c(Cl)c(I)c1F 263624385 PYTNLOITFVMGRR-UHFFFAOYSA-N 326.870 4.015 0 50 EIAA Clc1cccc([C@H](Cc2cccnc2)NCC2CCOCC2)c1 425944997 ZXDPUSRWGXIGGN-IBGZPJMESA-N 330.859 4.035 0 50 EIAA C[C@@H](NCc1ccnn1C1CCCC1)c1ccc(OC(F)F)cc1 449077798 YUFXIHCVBSEMLA-CYBMUJFWSA-N 335.398 4.450 0 50 EIAA FC(F)(F)c1nc2ccccn2c1-c1nc(-c2ccccc2)no1 904238481 SIOQHQFYQWUCRU-UHFFFAOYSA-N 330.269 4.070 0 50 EIAA COc1ccc(CN(C)C(=O)[C@H]2CC[C@@H]3CCC[C@@H]32)c2cccnc12 1857671411 WJRVATRVAIYCJX-ZVZYQTTQSA-N 338.451 4.028 0 50 EIAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)c1ccccc1F 1875249299 QTAPEARWZFUMFN-UHFFFAOYSA-N 343.789 4.285 0 50 EIAA C[C@@H]1C[C@@H]1[C@H](c1csc2ccccc12)N(C)C(=O)/C=C/CN(C)C 1875376073 YIOMOPWCEXBRPZ-XNVOCGRLSA-N 342.508 4.175 0 50 EIAA CN(C)C(=O)Cc1ccc(Nc2ccccc2Oc2cccnc2)cc1 2100545060 OXKIWNYCMOWXBC-UHFFFAOYSA-N 347.418 4.248 0 50 EIAA Cc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCCCC2)c1C 67772 IMBFFURBOOXTPI-UHFFFAOYSA-N 342.464 4.243 0 50 EIAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2ccc(F)cc2)cc1 118181 AYRWCDNBMWRZPK-KRWDZBQOSA-N 343.398 4.069 0 50 EIAA CCc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 274048 ZLEQAEQVPOGAEY-UHFFFAOYSA-N 338.432 4.390 0 50 EIAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 393493 ORHVEVGCWUVFNC-MSOLQXFVSA-N 335.488 4.371 0 50 EIAA C[C@@H](Oc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 442298 IKRGYWILLXMXJG-QGZVFWFLSA-N 331.415 4.360 0 50 EIAA CC[C@@H](C(=O)N(C)c1nnc(-c2ccccc2)s1)c1ccccc1 460608 IUSDZMBLIQWQBF-MRXNPFEDSA-N 337.448 4.362 0 50 EIAA Cc1ccc(O)c([C@H](CC(=O)NCc2ccco2)c2ccccc2)c1 477284 BLGBSCFPHWVUTD-GOSISDBHSA-N 335.403 4.132 0 50 EIAA CN(C(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 615363 XQIUGFFUTMQJQF-UHFFFAOYSA-N 339.247 4.145 0 50 EIAA COc1ccc(-c2c(C)nc3c(-c4ccc(F)cc4)cnn3c2N)cc1 1394938 OHTPSXSLYSUEHE-UHFFFAOYSA-N 348.381 4.102 0 50 EIAA CCCOc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1OC 1817340 JHWGOXBHJAQYEN-FQEVSTJZSA-N 336.435 4.200 0 50 EIAA biogenic COc1ccc(Br)cc1COC(=O)c1ccc(C)cc1 2534524 FVIMWJODVKKLOH-UHFFFAOYSA-N 335.197 4.123 0 50 EIAA CCOc1cc(C=O)ccc1OCc1cccc(Br)c1 2558336 KFFGCOXRVKICFK-UHFFFAOYSA-N 335.197 4.239 0 50 EIAA Cc1cccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c1C 2905067 ZCUUPXUEIDPQQJ-UHFFFAOYSA-N 327.383 4.356 0 50 EIAA COCCCNCCCCOc1ccc(OCc2ccccc2)cc1 4845300 WRKNSUKDZOPSOP-UHFFFAOYSA-N 343.467 4.051 0 50 EIAA CCOc1ccc([C@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5041952 IXHFLVNNWBUZKB-HILYYZTDSA-N 342.483 4.414 0 50 EIAA CCCc1cc(NCc2cccnc2)n2ncc(-c3ccccc3)c2n1 5307928 HFJMSYUTXMDYSH-UHFFFAOYSA-N 343.434 4.356 0 50 EIAA CC(C)c1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1 10315340 GMAQZZPVCCHWAV-UHFFFAOYSA-N 336.479 4.091 0 50 EIAA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C 13783392 IMONTRJLAWHYGT-IBJQYKMBSA-N 340.463 4.063 0 50 EIAA biogenic CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1OC 17072597 NTCWGWCJGDFRML-CYBMUJFWSA-N 349.452 4.018 0 50 EIAA C[C@@H](OC(=O)Cc1ccc(F)cc1F)C(Cl)=C(Cl)Cl 23115371 GGUGGJKTOXEQNT-ZCFIWIBFSA-N 329.557 4.325 0 50 EIAA Cc1oc(-c2ccc(C(C)C)cc2)nc1CN1CCC(C(=O)O)CC1 32917003 REBMVORBGGRHID-UHFFFAOYSA-N 342.439 4.070 0 50 EIAA CC(C)CN(C/C=C/c1ccccc1)C(=O)c1ncc(F)cc1F 55183137 BAMPTBVKMXPHDC-RMKNXTFCSA-N 330.378 4.171 0 50 EIAA C[C@H](c1nccs1)N(C)C(=O)c1cccc(-c2ccc(O)cc2)c1 55308777 AMAWKRPAMGECOJ-CYBMUJFWSA-N 338.432 4.349 0 50 EIAA CC[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCC1CCN(C)CC1 55568975 MQKVADBLZGXTRV-SFHVURJKSA-N 330.516 4.244 0 50 EIAA CCSc1ccccc1NC(=O)[C@@H]1CCCN(c2ccccn2)C1 55704608 BCBKIJNISQBUOU-OAHLLOKOSA-N 341.480 4.049 0 50 EIAA C[C@@H](c1cccs1)N(C)C(=O)c1coc(COc2ccccc2)n1 67919705 XRNLGYTXFZVTTF-ZDUSSCGKSA-N 342.420 4.148 0 50 EIAA Cc1cc(C)c(C[S@](=O)Cc2cn3c(C)cccc3n2)c(C)c1 155218785 CLXYYSRHUZKKNQ-QHCPKHFHSA-N 326.465 4.017 0 50 EIAA Cc1cccnc1[C@@H](NC(=O)N[C@@H]1CCc2cc(F)ccc21)C(C)C 172067273 XOYMHSKGLCGDHJ-MSOLQXFVSA-N 341.430 4.213 0 50 EIAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)C1(C)C 229793923 VINKXWSOYAMQEJ-XUVXKRRUSA-N 346.559 4.195 0 50 EIAA CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@@H]3CCCC[C@H]32)n1 239654174 BMUYXTMMALAHED-DZGCQCFKSA-N 335.879 4.438 0 50 EIAA CCOc1ccc([C@@H](CC)NC(=O)c2ccccc2-c2ncc[nH]2)cc1 670438242 LWKKUWGNJMHIPI-LJQANCHMSA-N 349.434 4.357 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cccc(C(F)(F)F)c1)C2 1704312269 HXNFRHIMOQJTOY-WBVHZDCISA-N 341.373 4.127 0 50 EIAA CCCCCc1nc([C@@H]2C[C@@H]3CC[C@H]2O3)n(Cc2ccccc2)n1 1857734188 NDQVTOKUOWKALW-RCCFBDPRSA-N 325.456 4.094 0 50 EIAA COc1cccc(CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)n1 1875243021 LUOCHDSQUXWBTP-RBUKOAKNSA-N 340.467 4.078 0 50 EIAA CP(C)(=O)c1cccc(OCCCOc2ccc(Cl)cc2)c1 1875298590 GXRCESSVVSBBQA-UHFFFAOYSA-N 338.771 4.436 0 50 EIAA CCCc1ccc([C@H](C)NC[C@@H](CO)Cc2ccccc2C)cc1 2325842467 ZOCCDHRDNSDTAQ-ICSRJNTNSA-N 325.496 4.449 0 50 EIAA COc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1 70350 HUIYILRULRCHPX-UHFFFAOYSA-N 345.196 4.099 0 50 EIAA CCN(C(=O)c1sc2nc(C)cc(C)c2c1N)c1ccccc1 149924 NWVWFOLYVICZOV-UHFFFAOYSA-N 325.437 4.162 0 50 EIAA O=C(COc1ccc(Cl)cc1Cl)N1CCCc2ccccc21 209569 FJEOANIMHFDVJF-UHFFFAOYSA-N 336.218 4.352 0 50 EIAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1C(=O)O 367687 VTNVBDZQFCXGDC-AWEZNQCLSA-N 341.407 4.224 0 50 EIAA COC(=O)c1cc2ccc1CCc1ccc(cc1Br)CC2 409610 GFVVTNBNUMBUID-UHFFFAOYSA-N 345.236 4.120 0 50 EIAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2F)c1 2810306 IUBPESGADYNYAG-UHFFFAOYSA-N 346.427 4.131 0 50 EIAA Cc1ccccc1OCCC(=O)Nc1ccc(OC(F)(F)F)cc1 2828106 SJJDJTKTBHAXJP-UHFFFAOYSA-N 339.313 4.301 0 50 EIAA Cc1ccc(-c2noc(CN(C(=O)c3ccccc3C)C(C)C)n2)cc1 4838521 RNPGGVJKSJCLET-UHFFFAOYSA-N 349.434 4.404 0 50 EIAA CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(OC)cc2)C1 6119480 BWZWUTJHOOOXMM-LLVKDONJSA-N 330.453 4.106 0 50 EIAA COc1ccc(C[C@H](C)NCc2cccc(Br)c2)cc1 19637252 BRGAIGSKBSRAFP-ZDUSSCGKSA-N 334.257 4.179 0 50 EIAA CC/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\CCCC(=O)O 34961895 DNPZYIPMAWRQQE-LZVBJOTISA-N 336.472 4.158 0 50 EIAA in-vitro Cc1ccc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)nn1 65365738 HAXOJAZTLFOHER-UHFFFAOYSA-N 337.358 4.312 0 50 EIAA Cc1nc(CN(C)C(=O)[C@H](C)Oc2ccc3ccccc3c2)cs1 91575401 XGSMNAWXAQYYTR-ZDUSSCGKSA-N 340.448 4.031 0 50 EIAA O=C(c1ccon1)N1CCc2c([nH]c3ccccc23)[C@H]1C1CCCCC1 95497331 NTZHRROVIMOCND-HXUWFJFHSA-N 349.434 4.476 0 50 EIAA COc1c(C)ccc(NC(=O)N2CCC(c3ccncc3)CC2)c1C 191845418 KTODNYLBOCNIHZ-UHFFFAOYSA-N 339.439 4.119 0 50 EIAA O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@H]1c1nccs1 221228484 JRXCDCCWKFCJGO-KRWDZBQOSA-N 341.480 4.111 0 50 EIAA CC(C)N(/C=C(/C(=O)O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 224133886 FWJNZDBWTJMHDD-GXDHUFHOSA-N 339.819 4.411 0 50 EIAA in-vitro CCN(Cc1cccnc1)C(=O)[C@]1(c2ccccc2)CC12CCCC2 244647000 GTGCPNXHTZPTCO-JOCHJYFZSA-N 334.463 4.332 0 50 EIAA O=C(c1ccc2c(c1)N=S=N2)N(CC(F)(F)F)c1ccccn1 253425941 VDYBPWCRLIXCRC-UHFFFAOYSA-N 338.314 4.017 0 50 EIAA CCc1ccc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)cn1 352765058 IQDLVOIEWMBSRU-UHFFFAOYSA-N 332.451 4.456 0 50 EIAA CC(C)c1nnc(Cn2nccc2-c2ccc(F)c(Cl)c2)s1 418899701 OGVPYTWDSBFYOI-UHFFFAOYSA-N 336.823 4.366 0 50 EIAA CCCN(CCOC)C(=O)c1ccc(-c2ccccc2C(C)=O)cc1 426443391 NZKLRRRANSROOE-UHFFFAOYSA-N 339.435 4.055 0 50 EIAA C[C@H](c1ccccn1)N(C)C(=O)NCCCSC1CCCCC1 584899169 XZERKJMRTDJIMP-OAHLLOKOSA-N 335.517 4.240 0 50 EIAA Cc1ccc(N2CCC(NCCC[C@H]3CCOC3)CC2)cc1Cl 1506400523 NNOWZBCHVXGNAO-INIZCTEOSA-N 336.907 4.024 0 50 EIAA COc1ccccc1-c1c(NC(=O)c2ccc(C)s2)n[nH]c1C 1875248446 QTYJUGJFWLADFA-UHFFFAOYSA-N 327.409 4.016 0 50 EIAA CC[C@H](C(=O)Nc1c(Cl)nn(C)c1C(F)(F)F)c1ccccc1 1875275040 RQDSMIWCMSNKSE-JTQLQIEISA-N 345.752 4.225 0 50 EIAA Cc1cnc2ccc(C(=O)N(C)[C@H]3CC[C@H](c4ccccc4)CC3)cn12 1875341308 OIJLUXVAIJODII-KESTWPANSA-N 347.462 4.441 0 50 EIAA CN(C)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 43963 NNVUWMNSPHOFBR-ZDUSSCGKSA-N 337.250 4.024 0 50 EIAA COc1ccc(OC)c(NC(=O)COc2ccccc2C(C)(C)C)c1 133618 SDJYFXPJSZNOHP-UHFFFAOYSA-N 343.423 4.019 0 50 EIAA O=c1c2c3c(sc2ncn1Cc1ccc(Cl)cc1)CCCC3 143655 QIDUHRZFEQAPHW-UHFFFAOYSA-N 330.840 4.039 0 50 EIAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1 150782 XPWHEXNKJNHRJJ-SFHVURJKSA-N 345.442 4.480 0 50 EIAA CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OCC)cc12 313990 SBIXFKIMHHZCGL-UHFFFAOYSA-N 327.380 4.166 0 50 EIAA C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cccc(Cl)c1 611993 LWTQFQXTPGCSHD-JTQLQIEISA-N 331.828 4.336 0 50 EIAA CCOC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1 1063676 GRXRZCDKHAGUIK-UHFFFAOYSA-N 331.799 4.202 0 50 EIAA COc1ccccc1NC(=O)c1cccc(COCC(F)(F)F)c1 2835747 VOSSSZUUNIYDFK-UHFFFAOYSA-N 339.313 4.026 0 50 EIAA CN(C)CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3099943 OMLNFJPOANEAKR-UHFFFAOYSA-N 349.515 4.025 0 50 EIAA CCN(CC)CCOC(=O)[C@@](C)(c1ccccc1)C1CCCCC1 3609601 KFFUMWAFMBSHHP-NRFANRHFSA-N 331.500 4.410 0 50 EIAA COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 5050099 SBROAMKCNQQEEB-UHFFFAOYSA-N 330.815 4.201 0 50 EIAA O=C(Nc1cccc(F)c1)[C@H]1CC12CCN(C[C@H]1CC=CCC1)CC2 14995418 OSHGBSDQLVGQEE-QFBILLFUSA-N 342.458 4.223 0 50 EIAA CC(C)c1ccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 15934217 YPGJQKATOSWMQA-ZDUSSCGKSA-N 326.396 4.421 0 50 EIAA Cc1cc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)ccn1 19853129 XSKNDPFFNIYDCG-UHFFFAOYSA-N 326.403 4.364 0 50 EIAA CC(C)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 33088846 KVIMPGXSKHMNKW-AWEZNQCLSA-N 346.430 4.494 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCC(C)CC3)cc2)n1 48482859 QSGMXDMRUCUIES-UHFFFAOYSA-N 339.483 4.011 0 50 EIAA Cc1noc([C@H]2CCCN2Cc2cnc(-c3ccccc3C)s2)n1 65395646 IQNANGOAIYFRPI-MRXNPFEDSA-N 340.452 4.147 0 50 EIAA Cc1cccc(C(C)C)c1NC(=O)CNCc1cnc2ccccc2c1 65397195 OHDBMFRHBLFKJC-UHFFFAOYSA-N 347.462 4.395 0 50 EIAA CC[C@H]1COCCN1C(=O)Nc1ccc(Oc2ccccc2)cc1 77318918 VZJODXFHKOOHJZ-INIZCTEOSA-N 326.396 4.122 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N(C)Cc3cc(C4CC4)on3)c2c1 77556354 JJDLOLWJTOAXDC-UHFFFAOYSA-N 349.434 4.243 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccno1 95528538 HCUJKLFHDMCBGG-SFHVURJKSA-N 340.810 4.166 0 50 EIAA COCCCOc1cccc(NC(=O)c2ccc3c(c2)CCC=C3)c1 170614660 XCHZNOMMNNOBMF-UHFFFAOYSA-N 337.419 4.314 0 50 EIAA CC(C)C1(CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1 176355516 RFRHHYGUJRECJA-UHFFFAOYSA-N 341.455 4.153 0 50 EIAA FC(F)(F)c1ccccc1[C@@H](NCc1ccccn1)C(F)(F)F 183346941 XTZYTWOJEIPWMT-CYBMUJFWSA-N 334.263 4.494 0 50 EIAA Cc1[nH]c2ccc(C(=O)N3CC[C@](C)(O)[C@H](CC(C)C)C3)cc2c1C 211570793 JGAMOVZJIWNDKV-UTKZUKDTSA-N 342.483 4.044 0 50 EIAA CCCN(C(=O)c1cccc(CNC(C)=O)c1)c1ccc(Cl)cc1 408514611 FGGOOGQNQXIJQG-UHFFFAOYSA-N 344.842 4.033 0 50 EIAA CCO[C@@H](CC)CNC(=O)c1ccc(-c2cc(C)c(O)c(C)c2)cc1 426465349 YCJVGRJMYUAMLR-IBGZPJMESA-N 341.451 4.221 0 50 EIAA COc1ccc(Cn2cc(-c3ccc(CN4CCCC4)cc3)cn2)cc1 426641475 HMZPNPNZESDHTA-UHFFFAOYSA-N 347.462 4.203 0 50 EIAA O=C(NC1(C2CCCCC2)CC1)N1CCC(c2ccncc2)CC1 534591460 HQAGJBLEUOAADS-UHFFFAOYSA-N 327.472 4.084 0 50 EIAA CC[C@@H]1C=CCN1C(=O)c1cccc(-c2nn(C)c3cccc(C)c23)c1 534643986 BOWNNHUAHXPPGH-GOSISDBHSA-N 345.446 4.339 0 50 EIAA CO[C@H](C)c1nnc(NC(=O)C2(c3ccccc3)CCCCC2)s1 1506423292 HDCNVEKRLCZGHM-CYBMUJFWSA-N 345.468 4.086 0 50 EIAA CC[C@@H](C)N=c1[nH]nc(S[C@H](C)C(=O)c2cc(C)cc(C)c2)s1 2325898935 FQXXYBDNDTZIDQ-CHWSQXEVSA-N 349.525 4.151 0 50 EIAA CC[C@H](C)NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 136859 BKLBVBJIIRVHCU-INIZCTEOSA-N 325.452 4.306 0 50 EIAA O=C(Nc1nncs1)[C@H](Sc1ccccc1)c1ccccc1 432900 XZHYNIDBYPHYSS-CQSZACIVSA-N 327.434 4.010 0 50 EIAA COc1ccc(C(=O)CCNc2cc(OC)c(Cl)cc2OC)cc1 732299 AAQOYUNGKPPVIC-UHFFFAOYSA-N 349.814 4.051 0 50 EIAA Cc1ccccc1-c1nnc(NC(=O)Nc2ccc(F)cc2)s1 1251209 NAMYRLJWTLAVDO-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2)n1 2877174 UZTJPXJEHHSJCV-UHFFFAOYSA-N 335.432 4.183 0 50 EIAA C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 10941145 LIMPCWVDVQZJIH-SNVBAGLBSA-N 334.828 4.116 0 50 EIAA Clc1ccccc1[C@@H]1CCN(Cc2nc(-c3cccs3)no2)C1 20452558 VKHGZASQUGBVCA-GFCCVEGCSA-N 345.855 4.441 0 50 EIAA COc1ccc(CN[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 20535165 JRESHMHIWXYLIT-LJQANCHMSA-N 344.886 4.103 0 50 EIAA CCOC(=O)[C@H]1CCCN(c2cc(C)c3ccc(SC)cc3n2)C1 23634833 HJDFBPCQUGOYOL-AWEZNQCLSA-N 344.480 4.045 0 50 EIAA CCCC[C@H]1C(=O)CC[C@@H]2[C@H](CCCCCCC(=O)O)C(=O)C[C@@H]21 64857874 SMKXBJMWSIFUAU-TWMKSMIVSA-N 336.472 4.402 0 50 EIAA in-vitro COc1cc(Oc2ccccc2CO)cc(Cl)c1CN1CCCC1 67756487 VXJVFQMVTJFHFB-UHFFFAOYSA-N 347.842 4.229 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3F)cc2)nn1 72442144 CTPMYQQBCSYIOV-UHFFFAOYSA-N 341.317 4.108 0 50 EIAA Cc1nc(-c2cccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)c2)no1 120883492 CDRDOLIXTRNDEX-QGZVFWFLSA-N 348.406 4.066 0 50 EIAA CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2C)CC1 166195470 QTVCZKXTTIXGRA-UHFFFAOYSA-N 336.479 4.055 0 50 EIAA CC(C)(C)c1cccc(NC(=O)c2cccnc2C(F)(F)F)c1O 185840123 OHTKQFMHHVBUSZ-UHFFFAOYSA-N 338.329 4.356 0 50 EIAA CC(C)OCc1ccc(N[C@H](C)c2nnnn2C2CCCCC2)cc1 189793421 FCBJAGREUZMOIJ-OAHLLOKOSA-N 343.475 4.276 0 50 EIAA COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 245238417 NPIJXUGEZHABCE-IXDBCEGASA-N 345.489 4.097 0 50 EIAA aggregator Cc1cc(NC(=O)N2CC[C@@H](c3ccccn3)C2)cc(C(F)(F)F)c1 799229066 IBSFKLMNXBFHTC-CYBMUJFWSA-N 349.356 4.430 0 50 EIAA Cc1nc(CN2Cc3c[nH]nc3[C@H](C)C2)oc1-c1ccc(Cl)cc1 931459258 NFMMMPPWDKERGX-LLVKDONJSA-N 342.830 4.146 0 50 EIAA CCCn1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)c(C)n1 952989281 IGHVIURVJNCEPY-MRXNPFEDSA-N 345.512 4.291 0 50 EIAA Cc1sc2ncnc(NCCn3cncc3-c3ccccc3)c2c1C 1307177502 HEOJKRCKHUURHM-UHFFFAOYSA-N 349.463 4.284 0 50 EIAA CCc1nccn1C[C@H](C)NCCc1c(C)[nH]c2ccc(Cl)cc12 1506409133 VHURTGWJIGQCBP-ZDUSSCGKSA-N 344.890 4.109 0 50 EIAA Cc1nc(NC(=O)c2nc3ccccc3[nH]2)cc(-c2ccccc2)c1C 1857732683 AVCJQIXAEYSDOX-UHFFFAOYSA-N 342.402 4.494 0 50 EIAA CC(C)(COC(=O)c1coc2c(F)c(Cl)ccc12)n1ccnc1 2325854725 RNAMAMWJMOGMJE-UHFFFAOYSA-N 336.750 4.014 0 50 EIAA CCOc1ccc(NC(=O)Nc2nnc(C3CCCC3)s2)cc1 1301858 QPWGVNMHJKKVLL-UHFFFAOYSA-N 332.429 4.238 0 50 EIAA COC(=O)CCCCCc1ccc(CCCCCC(=O)OC)cc1 4557319 QBMSXUVHIGAAHA-UHFFFAOYSA-N 334.456 4.238 0 50 EIAA Cc1oc(-c2ccco2)nc1CN(C)Cc1nc2ccccc2s1 19841095 TWJRWOBEAIVGRK-UHFFFAOYSA-N 339.420 4.485 0 50 EIAA O=C(c1cccc(-c2ccc(O)cc2)c1)N(Cc1cccnc1)C1CC1 55120625 YWHYJMZMTIARHY-UHFFFAOYSA-N 344.414 4.259 0 50 EIAA COc1cccc(N2CCN(Cc3ccc4ccccc4c3)CC2)c1 55291881 PHKGLPLDEZRZMW-UHFFFAOYSA-N 332.447 4.171 0 50 EIAA Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 72119389 JPUUMRISLHSZQY-UHFFFAOYSA-N 336.435 4.182 0 50 EIAA Fc1ccc(CN2CCCN(Cc3cccs3)CC2)c(Cl)c1 72143763 RPTBTLXNDSQZBD-UHFFFAOYSA-N 338.879 4.249 0 50 EIAA CC(C)c1nc(CN(C)Cc2ccc([C@H]3CCCCO3)s2)no1 77376626 NQGCYONFXZFLES-CQSZACIVSA-N 335.473 4.128 0 50 EIAA CC(C)n1cc(-c2cn(C[C@H](C)c3ccc(Cl)cc3)nn2)cn1 91665431 ZBYIDHWEEVEAKM-ZDUSSCGKSA-N 329.835 4.180 0 50 EIAA CC(=O)c1cc(C(=O)NCCCSC2CCCCC2)cs1 96148872 AGWLZHXJLXCCMI-UHFFFAOYSA-N 325.499 4.137 0 50 EIAA CC1(C)C(=O)[C@@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]1C2 100768533 IAOSELDKXQRXRF-XXFAHNHDSA-N 326.223 4.327 0 50 EIAA BrC1(Br)[C@@H]2C[C@@]34C=C[C@@]3(CC=CC4)C[C@H]21 101038083 RQEXXEWMZPALII-KKOKHZNYSA-N 330.063 4.405 0 50 EIAA CC[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 130964220 CICJAYODXXQZQZ-LLVKDONJSA-N 338.238 4.051 0 50 EIAA O=C(c1nccc2ccccc12)N1CC[C@@H](c2c(F)cccc2F)C1 186172078 FVGSPCLDRFVFNX-CQSZACIVSA-N 338.357 4.143 0 50 EIAA COc1ccc2c(c1)CCN(Cc1ccc([C@H]3CCCCO3)o1)C2 216295291 FKPTYKWYLAZMCY-LJQANCHMSA-N 327.424 4.088 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1csc(-c2ccsc2)n1 299742797 KLZJDTDTUOAAAF-DFBGVHRSSA-N 348.493 4.089 0 50 EIAA O[C@@H](c1ccc2c(c1)CNCCO2)C(c1ccccc1)c1ccccc1 299762288 SZVBOFQIFJXCQA-QHCPKHFHSA-N 345.442 4.034 0 50 EIAA Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C2 409413709 GHWUZZCCPXLMSI-VOBCLVGFSA-N 328.500 4.135 0 50 EIAA CCC[C@@H](C(=O)Nc1ccc(NC(=O)CC)cc1C)n1cccc1 952978650 SLMFSHTWBBNMHV-KRWDZBQOSA-N 327.428 4.125 0 50 EIAA Cc1cc(N2CCC3(CCOCC3)CC2)nc2cc3c(cc12)CCC3 1704312326 PMQTYSBVKKCDJX-UHFFFAOYSA-N 336.479 4.429 0 50 EIAA O=C(N1CCC[C@@H]1C1(O)CC1)C1(c2ccc(Cl)cc2)CCCCC1 1772808939 GMNYBUVPTJAFKF-QGZVFWFLSA-N 347.886 4.058 0 50 EIAA Cc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c(F)c1 1857690445 DAXDPCICRIPSKO-QFBILLFUSA-N 327.447 4.262 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2cccc3cccnc23)C[C@H](C(C)C)O1 1857713198 KSCHOJSMRBLKIE-IEBWSBKVSA-N 340.467 4.291 0 50 EIAA COc1ccc(C2CC2)c(CNC[C@]2(C)CCOC3(CCC3)C2)c1 1875344658 OIPHGKXMGQHDMT-HXUWFJFHSA-N 329.484 4.402 0 50 EIAA Cc1ccc(C2(O)CCCC2)c(-c2ccc(N=S(C)(C)=O)cn2)c1 1875394942 CLGFPVAZEIWUIW-UHFFFAOYSA-N 344.480 4.178 0 50 EIAA CC(C)(C)c1cncc(COC(=O)c2ccc(-c3cccnc3)cn2)c1 2325855936 VKNPTSLMUHZZGK-UHFFFAOYSA-N 347.418 4.193 0 50 EIAA O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 37688 KVTUADMJZMXXIO-UHFFFAOYSA-N 343.379 4.419 0 50 EIAA CC1(C)C(c2ccccc2)=N[C@@H](c2ccc(Br)cc2)N1O 275594 DKJVLZWBRSUBKC-MRXNPFEDSA-N 345.240 4.420 0 50 EIAA CCOc1ccccc1C(=O)Nc1ccc(C)cc1Br 311818 UZNNDYBIRFNAAS-UHFFFAOYSA-N 334.213 4.409 0 50 EIAA O=C(/C=C/c1cccs1)Nc1ccc(Br)cc1F 375481 JVKZKJHGFSUDBQ-GQCTYLIASA-N 326.190 4.302 0 50 EIAA O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccnc1 848959 FYJBDFFURQSBMY-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA COc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC2(CCCCC2)[C@]31C 4343070 ZZADIDGAGAJHPR-IBGZPJMESA-N 340.423 4.103 0 50 EIAA CC(C)c1ccc(O[C@@H](C)c2nnc(SC(=O)C3CC3)n2C)cc1 6390385 GEZCPTDVTSQFLF-LBPRGKRZSA-N 345.468 4.107 0 50 EIAA Cc1c(Cl)ccc2c(C(=O)n3cccn3)cc(-c3cccnc3)nc12 6527115 JACRDVWEGJPRCF-UHFFFAOYSA-N 348.793 4.144 0 50 EIAA CC(=O)c1cccc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1 12593018 BGKPRPDSCVBWBW-SFHVURJKSA-N 344.405 4.244 0 50 EIAA c1cc(-c2ccn(C[C@H]3CCCCO3)n2)cc(-c2nccs2)c1 20540173 YXTISXLTXFLAGV-MRXNPFEDSA-N 325.437 4.243 0 50 EIAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)cc1F 33087357 NHXBBANFRXACEE-CQSZACIVSA-N 335.354 4.193 0 50 EIAA Cc1cc(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c2cccc(C)c2n1 55309468 CEMYNAGRSAOOHW-HNNXBMFYSA-N 336.439 4.025 0 50 EIAA COc1cccc(-c2nccn2-c2cccc(-c3cnco3)c2)c1OC 72428574 YZRJNTHPQWOJEP-UHFFFAOYSA-N 347.374 4.212 0 50 EIAA COc1cccc([C@@H]2CCCN2C(=O)c2ccccc2SC)c1 77457812 WEDIOQFTBQLVAB-KRWDZBQOSA-N 327.449 4.394 0 50 EIAA O=C(c1ccc(Cl)s1)N1CCC(c2nccn2CC2CC2)CC1 82098339 DAFZPHFYHUTMCH-UHFFFAOYSA-N 349.887 4.028 0 50 EIAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@@H]4[C@H]3C2=O)c(C)c1 101137299 JYCRFHOUJNWOOZ-PIKOESSRSA-N 335.447 4.319 0 50 EIAA CN(CCC1CCOCC1)Cc1c(-c2ccccc2)nc2ccccn12 120577153 NNGAKUZBDPGZOO-UHFFFAOYSA-N 349.478 4.250 0 50 EIAA O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCC2(CCC2)C1 152844727 JNDZOVZVFPLEHQ-MRXNPFEDSA-N 344.455 4.042 0 50 EIAA Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)O)cc2)s1 170044204 XZZFVAOCBYNECK-INIZCTEOSA-N 343.448 4.051 0 50 EIAA COc1cccc(F)c1NC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 186151016 VMSQOHJXUNDUET-CYBMUJFWSA-N 349.431 4.141 0 50 EIAA CSC[C@@H](C)C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 284592801 HDYKHAGVVIEQCO-SNVBAGLBSA-N 340.901 4.079 0 50 EIAA C[C@H]1CCN(C(=O)Nc2cccc3c2CCO3)[C@@H](c2ccco2)C1 408397434 VILLGVUJCVRJOC-XJKSGUPXSA-N 326.396 4.220 0 50 EIAA CCCCc1oc2ccccc2c1C(=O)N[C@H](CCC)CC(=O)OC 2325862974 PBYKSEXOHYXBOH-CQSZACIVSA-N 345.439 4.237 0 50 EIAA O=C(NCCc1ccccc1)C1c2ccccc2Oc2ccccc21 67892 GXJBSTGPKOHKEC-UHFFFAOYSA-N 329.399 4.283 0 50 EIAA COC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(C)cc2)c1 555114 YGGNJCCETLSDGF-UHFFFAOYSA-N 343.448 4.211 0 50 EIAA CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1Cl 1015717 CWEMXVIAVUNPHN-TVNQGELYSA-N 325.817 4.183 0 50 EIAA Cc1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1 3592190 WHWBSESHAVXJAU-UHFFFAOYSA-N 332.812 4.276 0 50 EIAA CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12 3948099 UACOXBQBNWQWOK-UHFFFAOYSA-N 340.333 4.453 0 50 EIAA biogenic COC(=O)c1c(-c2ccccc2)cn2c(-c3ccccn3)cccc12 4542999 UMAHPZBYZIBOHU-UHFFFAOYSA-N 328.371 4.455 0 50 EIAA CC(=O)Nc1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4740413 XQOYCFNZGVWRJB-UHFFFAOYSA-N 346.814 4.095 0 50 EIAA CC(C)C[C@H](NC1=NC(C)(C)Cc2c1ccc1ccccc21)C(=O)O 4837751 IGNOZCFUWMJJSJ-SFHVURJKSA-N 338.451 4.010 0 50 EIAA C[C@H]1C[C@@H](C)CN(CCOc2ccc(Cl)cc2Br)C1 4914382 PGSAWZZSNKSORV-TXEJJXNPSA-N 346.696 4.459 0 50 EIAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(C)s3)C2)cc1 14951521 ANRSDSQEEIUXHV-OAHLLOKOSA-N 346.521 4.268 0 50 EIAA COc1ccc(-c2nc(Cn3ccnc3C)c(C)o2)c2ccccc12 67788282 VTVZIWSJWQTEMT-UHFFFAOYSA-N 333.391 4.365 0 50 EIAA O=C(c1cnn(-c2ccccc2)c1)N1CCCC[C@H]1c1cccc(F)c1 77426871 OSARAEYICPWIDE-FQEVSTJZSA-N 349.409 4.379 0 50 EIAA CC(C)Cc1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)on1 91321783 UIGJAHMEYNNFEO-YJBOKZPZSA-N 344.430 4.153 0 50 EIAA O=c1cc(CSc2ccc(Cl)cc2)[nH]c2nc3ccccc3n12 100129204 ZHKHBTGCVYXPAO-UHFFFAOYSA-N 341.823 4.122 0 50 EIAA CCOc1cccc2[nH]cc(CC(=O)N(Cc3ccccc3)C3CC3)c12 188102722 WUNZOVYINIUJJM-UHFFFAOYSA-N 348.446 4.300 0 50 EIAA COc1cc(OC)c(NCc2ccn(-c3ccccc3)n2)cc1Cl 225447573 QLFXXFZTBFAWQD-UHFFFAOYSA-N 343.814 4.155 0 50 EIAA Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 238936943 SPTDNUYDNPCVID-LXFSFDBISA-N 329.490 4.397 0 50 EIAA CC(C)N(C)c1ccc(CN[C@H]2CCCOc3c(F)cccc32)cn1 239807511 CSOZRPDYXKLMDU-SFHVURJKSA-N 343.446 4.069 0 50 EIAA Cc1csc([C@@H](C)NC(=O)Nc2cccc3c2OC(C)(C)C3)n1 252484325 FUIXHZDCTQJHMX-LLVKDONJSA-N 331.441 4.048 0 50 EIAA CCC(CC)n1nc(C)cc1C(=O)N1CC[C@H]1c1ccccc1F 252549296 RCSXPGOHDAZSQO-KRWDZBQOSA-N 329.419 4.279 0 50 EIAA CC(=O)CCCC(=O)Nc1ccc(Oc2nc(C)cs2)c(F)c1 408515606 GWWUNJWAAAEZCM-UHFFFAOYSA-N 336.388 4.081 0 50 EIAA CO[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 448656440 OHSJZSXGNRCVRM-KSSFIOAISA-N 331.843 4.117 0 50 EIAA CC1(CC(F)(F)F)CN(C(=O)c2nc3cc(Cl)ccc3s2)C1 454349877 BCUPEXVGKHEASE-UHFFFAOYSA-N 348.777 4.364 0 50 EIAA COc1ccc(-c2cc(Nc3ncnc4c3CCC4)ccc2OC)cc1 1318460157 VSLOFLICBYDQRV-UHFFFAOYSA-N 347.418 4.393 0 50 EIAA COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1Br 38370 FCTUZBZCBPDQGD-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA CCc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 150409 BSMUCHJHFXXPMM-ZDUSSCGKSA-N 338.476 4.194 0 50 EIAA Cc1cc(C)c(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(C)c1 242875 GHUPYNYAWPEQBT-SFHVURJKSA-N 338.451 4.018 0 50 EIAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 427686 CTDJJVSXAQPXCB-NSHDSACASA-N 331.799 4.066 0 50 EIAA Cc1sc(NC(=O)Cc2ccccc2)c(C(=O)OC(C)C)c1C 476944 QINUCMHKASBSFZ-UHFFFAOYSA-N 331.437 4.111 0 50 EIAA Cc1ccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc1 540733 WKIVZXHIUHLILC-INIZCTEOSA-N 344.418 4.134 0 50 EIAA O=C(Nc1cccnc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 541458 NVFKZYJETULGEA-UHFFFAOYSA-N 342.354 4.107 0 50 EIAA Brc1cccc(OCCCCN2CCCCCC2)c1 2839818 YUGZWPCOYGEVRA-UHFFFAOYSA-N 326.278 4.484 0 50 EIAA Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 2879847 HPNJVECNLJPBJK-LBPRGKRZSA-N 334.213 4.164 0 50 EIAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(C)cc1)CC(=O)N2 4488950 WOOYGDDWCXAJFR-HNNXBMFYSA-N 325.408 4.267 0 50 EIAA Cc1[nH]c2ccc(Br)cc2c(=O)c1CC=C(Cl)Cl 4730359 FOQBKYFEXRUTTD-UHFFFAOYSA-N 347.039 4.461 0 50 EIAA Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccccc3O)c12 4934796 UROOABAURSDPCX-UHFFFAOYSA-N 334.379 4.139 0 50 EIAA CC(C)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 12382877 FAUGYHPOHDKBGO-UHFFFAOYSA-N 342.508 4.266 0 50 EIAA Fc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1Cl 35268964 PDXIQCSKFVFUCK-UHFFFAOYSA-N 333.794 4.116 0 50 EIAA CCCn1cc(C(=O)N(Cc2ccccc2F)[C@H](C)CC)c(C)n1 55244090 KTLQQDODINBWOJ-CQSZACIVSA-N 331.435 4.182 0 50 EIAA COCCOC1CCN(Cc2ccc(-c3ccccc3)s2)CC1 93339529 BEYIJKWPVPZAMT-UHFFFAOYSA-N 331.481 4.043 0 50 EIAA CN(CC[C@H]1CCCCO1)C(=O)Nc1ccccc1C(F)(F)F 96723006 XOGNOVLZABFPOR-GFCCVEGCSA-N 330.350 4.128 0 50 EIAA COc1ccc(Oc2cc(CN[C@@H](C)c3ccccn3)ccn2)cc1 158688304 VZLZJAFYCULNKJ-HNNXBMFYSA-N 335.407 4.128 0 50 EIAA C[C@@H](Nc1ccc2c(c1)C(=O)NC2)c1cccc(-c2ccncc2)c1 170592619 UOGUHIRIPRRQPC-CQSZACIVSA-N 329.403 4.165 0 50 EIAA CCc1ccccc1C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 178185207 IEPZNJOHDDIWLA-GOSISDBHSA-N 335.407 4.229 0 50 EIAA CC(C)c1noc([C@H]2CCCCN2C(=O)c2cc3sccc3[nH]2)n1 219869216 OMVFUQJDKJZAJY-CYBMUJFWSA-N 344.440 4.103 0 50 EIAA COc1ccc(OC)c2c1[C@H](c1cccc(N)c1)O[C@@H]1CCCC[C@@H]21 242437260 BVMLGIDRODFNIZ-ZOCZFRKYSA-N 339.435 4.432 0 50 EIAA C[C@H](Nc1ncnc2c1ncn2C1CC1)c1nc(C(C)(C)C)cs1 330306124 RFOJHEDJSLGKJF-JTQLQIEISA-N 342.472 4.088 0 50 EIAA COc1ccccc1[C@H]1CCCN1c1nc2ccc(F)cc2n1C 431425047 AZCXWKZHBBBTAX-MRXNPFEDSA-N 325.387 4.063 0 50 EIAA COc1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1O 494148563 JPGJBKKXGSIWFX-UHFFFAOYSA-N 335.359 4.445 0 50 EIAA Cc1cc(NC(=O)c2cccc(C)c2Cl)ccc1N1CCCC1=O 828264891 HKCXZKNBTPVUHF-UHFFFAOYSA-N 342.826 4.336 0 50 EIAA C[C@@H](CN[C@@H](C)c1cc(O)ccc1F)c1nc(-c2ccccc2)no1 872051610 LXYPJKLBHALTJJ-STQMWFEESA-N 341.386 4.036 0 50 EIAA O=C(O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)cc2)cc1 1245667434 NPSKJSGYIVHAPI-UHFFFAOYSA-N 330.339 4.389 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc3nc(C)sc3c1)C2 1704344058 OCKCZRVAYPRDDB-IEBWSBKVSA-N 344.480 4.026 0 50 EIAA Fc1ccc(-c2csc(N3CCC(C4CCNCC4)CC3)n2)cc1 1857672010 DGZRAQYMGHSKCA-UHFFFAOYSA-N 345.487 4.165 0 50 EIAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc(C)c1C 89573 ULFXUQARNWBNLJ-HUUCEWRRSA-N 343.448 4.284 0 50 EIAA Cc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)C(F)F)cc1 101762 NMOAUEHGMHQMEE-UHFFFAOYSA-N 331.771 4.066 0 50 EIAA O=C(Nc1ccc(Br)cn1)c1cc(Cl)ccc1Cl 306241 CSNIZAFXWFXDKS-UHFFFAOYSA-N 346.011 4.403 0 50 EIAA CC(=O)Nc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 395197 NSLBFNOXPLOUBN-UHFFFAOYSA-N 348.200 4.052 0 50 EIAA COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 434891 OZBQDKIFIYHBDV-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA COc1c(C)cc(Br)cc1C(=O)Nc1cccc(F)c1 558548 MFHFLQADSRECHT-UHFFFAOYSA-N 338.176 4.158 0 50 EIAA Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 578900 WYGOXTNSMJHDGA-UHFFFAOYSA-N 346.430 4.490 0 50 EIAA Cc1ccc(Cn2nc(C)c(NC(=O)NC3CCCCC3)c2C)cc1 2762906 TZNKJEAFJOZPMK-UHFFFAOYSA-N 340.471 4.311 0 50 EIAA C[C@@H](Oc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1 4539390 LZIRRUQYBGTFJI-CQSZACIVSA-N 338.432 4.140 0 50 EIAA c1ccc(OCCn2c(CN3CCCCC3)nc3ccccc32)cc1 6745995 JTWZTGJNTXMLDU-UHFFFAOYSA-N 335.451 4.101 0 50 EIAA Cc1ccc(NC(=S)Nc2ccc(Br)cc2)c(O)c1 17070832 UEWWRELIWUEQKK-UHFFFAOYSA-N 337.242 4.272 0 50 EIAA Clc1cc(-c2ccccc2)ccc1OCCCN1CCOCC1 31540242 UXHRUDKGYGPMIE-UHFFFAOYSA-N 331.843 4.108 0 50 EIAA in-man CC(C)CNc1nc(C(=O)N2CCC(c3ccccc3)CC2)cs1 61721612 RVYZCKSROOLMLY-UHFFFAOYSA-N 343.496 4.231 0 50 EIAA CCOc1ccc(-c2ccnc(CCc3ccccc3)n2)cc1C(=O)O 77524234 ZHDUFGHMJXGLPF-UHFFFAOYSA-N 348.402 4.026 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@@]4(CCCO4)CC3)c(C)c2c1 97514318 KEBBZTBUFVHGIZ-OAQYLSRUSA-N 340.467 4.268 0 50 EIAA Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc2ccccc2s1 116691776 HAHZFOLRIMMULP-QHCPKHFHSA-N 343.473 4.341 0 50 EIAA COc1cc(OC)c(OC)cc1CN(C)Cc1cc2ccccc2o1 135153634 HNGSLWCTECRIBP-UHFFFAOYSA-N 341.407 4.091 0 50 EIAA Oc1nc2cc(Cl)ccc2c(-c2ccccc2)c1N1CCOCC1 170619462 PBXPSIRSRXDOOY-UHFFFAOYSA-N 340.810 4.097 0 50 EIAA Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(Cl)c(F)c1 229346845 OQJCGXQQIQVLSJ-UHFFFAOYSA-N 331.771 4.036 0 50 EIAA Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1 229713942 HAXVMUZEKPPLPJ-ROUUACIJSA-N 340.492 4.080 0 50 EIAA COc1ccccc1-c1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 417218395 GNQWMVYARRZPQT-OAHLLOKOSA-N 336.391 4.438 0 50 EIAA CSCCCN1CCC(c2n[nH]cc2-c2ccccc2C)CC1 824896113 TWSUSNWVUXRTDO-UHFFFAOYSA-N 329.513 4.318 0 50 EIAA COc1cc(F)c(-c2nccn2-c2ccc3c(c2)C[C@@H](C)O3)c(F)c1 1772706919 NXUFSUCIEYAGEW-LLVKDONJSA-N 342.345 4.150 0 50 EIAA COc1ncccc1[C@H](C)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 1875328678 GQXVILHDKLAUKQ-HNNXBMFYSA-N 348.450 4.463 0 50 EIAA Cn1nc(C2CC2)cc1CNc1ccc(-c2cn3ccccc3n2)cc1 1875328944 UODPEOATNGPNBY-UHFFFAOYSA-N 343.434 4.224 0 50 EIAA CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(F)c(O)c1)CCO2 2325773822 ISBLXJMSBLQQSB-PXAZEXFGSA-N 331.387 4.104 0 50 EIAA O=C(NCCc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 455253 WBUBDEBDYKYXFF-UHFFFAOYSA-N 327.186 4.497 0 50 EIAA CCOC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 615949 YNRXIIBKQUEFCN-UHFFFAOYSA-N 332.212 4.004 0 50 EIAA C[C@@H](NC(=O)c1cn(C2CCCCC2)nn1)c1cccc2ccccc12 11771557 DLTIELLVAGRZLT-OAHLLOKOSA-N 348.450 4.428 0 50 EIAA O=C(c1ccc2ncccc2c1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 11821719 SZVJEXULJYSYPZ-LJQANCHMSA-N 349.409 4.091 0 50 EIAA CN(CC1CCN(CCc2ccccc2F)CC1)C[C@H]1CC=CCC1 12194423 NQTLBBDMWXJRJB-IBGZPJMESA-N 344.518 4.368 0 50 EIAA Clc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 12430860 XZYAAXKBARVTDG-QGZVFWFLSA-N 338.842 4.088 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)C[C@H]2C)cc1 13320316 IGQINDVIZBAPQK-MRXNPFEDSA-N 341.430 4.185 0 50 EIAA O=C(NCc1ccc(Cl)cc1)Nc1ccccc1Br 13745456 ZAJGPRTUGRCCGB-UHFFFAOYSA-N 339.620 4.424 0 50 EIAA CCCn1nc(C)c2c(C(=O)Nc3cc(C)ccc3C)cc(C)nc21 13961112 QWMLRVXIPMFKPA-UHFFFAOYSA-N 336.439 4.327 0 50 EIAA CC[C@H]1CN(Cc2cc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 14983490 DWBLMVMWKKKLSX-SFHVURJKSA-N 336.435 4.350 0 50 EIAA c1ccc(-c2noc(-c3ccccc3-c3nc(C4CC4)n[nH]3)n2)cc1 67771212 PJOWAUPNQKTDKE-UHFFFAOYSA-N 329.363 4.066 0 50 EIAA CCCc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)no1 82086533 XLGDVQMESXJAGW-OAHLLOKOSA-N 341.436 4.214 0 50 EIAA Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)c1 95385261 ZWRDZUCKWSSZIA-KRWDZBQOSA-N 325.456 4.101 0 50 EIAA O=C(NCc1ccc(O)cc1)N(CCc1ccccc1)C1CCCC1 124876190 SREROCDDBWBVSB-UHFFFAOYSA-N 338.451 4.089 0 50 EIAA C[S@](=O)c1cccc(N[C@@H](c2ccccc2)c2ccc(F)cn2)c1 170594423 LYCQSKLLUKYIPA-CYFREDJKSA-N 340.423 4.160 0 50 EIAA Cc1ccc([C@H]2CCCCN2Cc2cc(=O)n3cccc(C)c3n2)cc1 170639798 UOMBQCQJCNOGIY-HXUWFJFHSA-N 347.462 4.039 0 50 EIAA CC1(C)C[C@H](NC(=O)Nc2ccccc2-c2ccncc2)C(C)(C)O1 181720341 NTPPTTGHKHOTLA-KRWDZBQOSA-N 339.439 4.216 0 50 EIAA CC(=O)Nc1cccc(-c2nc(-c3ccncc3Cl)cs2)c1 225456070 FDXDTIJKHBDRAT-UHFFFAOYSA-N 329.812 4.484 0 50 EIAA COc1ccc(C(C)(C)C(=O)OCc2cc(C)cc(Cl)n2)cc1 225857327 DGWWAACAXPMAKM-UHFFFAOYSA-N 333.815 4.073 0 50 EIAA Oc1nc(CN2CCC[C@@H]2/C=C/c2ccccc2)nc2ccsc12 253630341 VCZIARZZSGIXME-XVJNWHFHSA-N 337.448 4.075 0 50 EIAA O=c1c2ccc(F)cc2ncn1CCCOc1cccc2ccccc12 261375098 RUTFJWPSIAUEKW-UHFFFAOYSA-N 348.377 4.158 0 50 EIAA CC(C)n1ccc(NC(=O)N2CC=C(c3cccc(Cl)c3)CC2)n1 280448852 GRHPMRRZWGZODL-UHFFFAOYSA-N 344.846 4.439 0 50 EIAA Cc1cc(C(=O)N(Cc2cccnc2)C2CC2)c2nccc(C)c2c1 284679315 ZSPHDZJCMYCTNH-UHFFFAOYSA-N 331.419 4.051 0 50 EIAA OC[C@@H]1C[C@@H](N[C@@H]2CCCOc3cc4c(cc32)CCC4)c2ccccc21 364924602 BAANNAJBSCDOKI-MTNREXPMSA-N 349.474 4.200 0 50 EIAA Cc1nc([C@H]2CCCCN2C(=O)Nc2ccc(C3CCC3)cc2)n[nH]1 374707147 LYKFHTBAXCSBIP-QGZVFWFLSA-N 339.443 4.140 0 50 EIAA CCc1ccsc1C(=O)N1CCC(c2ccccc2C(=O)O)CC1 375367984 QNSOXYDQNUBAGJ-UHFFFAOYSA-N 343.448 4.029 0 50 EIAA CC(C)SCC(=O)NCC[C@]1(c2ccccc2)CCOC(C)(C)C1 426518340 OZUHKAQVRINNCG-FQEVSTJZSA-N 349.540 4.161 0 50 EIAA Cc1cc(N[C@@H](C)c2ccc(C(F)F)nc2)ccc1N1CCOCC1 850460057 OBCUAKFPLPDHSD-AWEZNQCLSA-N 347.409 4.337 0 50 EIAA CCc1nc(C)c(CN(Cc2ccccc2)Cc2scnc2C)[nH]1 1506403675 NOENLCYMVNUDJY-UHFFFAOYSA-N 340.496 4.248 0 50 EIAA COC[C@H](c1ccccn1)N(C)Cc1cc(F)ccc1C(F)(F)F 1506407947 LOLSWYOEVZHBHB-MRXNPFEDSA-N 342.336 4.059 0 50 EIAA Cc1cc(Cl)cc(-c2c[nH]c3ncccc23)c1OC1CCNCC1 1875330171 QVYJPBIWMZOFHS-UHFFFAOYSA-N 341.842 4.323 0 50 EIAA COc1cc(SC)ccc1C(=O)n1cnc2cc(C)c(C)cc21 38919 ZKOMYGLZUBFGAN-UHFFFAOYSA-N 326.421 4.072 0 50 EIAA O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 123175 CHGVIJIPGRMWAC-UHFFFAOYSA-N 336.627 4.448 0 50 EIAA O[C@@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@H]1CCc1ccccc1 169817 BBKPDCPIJZWWPW-HKUYNNGSSA-N 347.380 4.204 0 50 EIAA c1ccc(-c2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1 237068 HSLIZPQWURTGJV-UHFFFAOYSA-N 329.447 4.071 0 50 EIAA COc1cc(OC)cc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 238311 LUKVZOHDWSUNBD-UHFFFAOYSA-N 333.387 4.208 0 50 EIAA biogenic c1csc(CNc2nc3ccccc3n2CCN2CCCCC2)c1 305242 JGHFPOBBWUMJAW-UHFFFAOYSA-N 340.496 4.196 0 50 EIAA Cc1cccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1O 482479 XNPZDCRHZMBPSC-UHFFFAOYSA-N 339.174 4.047 0 50 EIAA CCn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)c(OC)c3)nc21 2732622 XJXZXBSFDXMHJS-UHFFFAOYSA-N 347.365 4.381 0 50 EIAA CC[C@@H]1CCCCN1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 4159473 BKXIJSTVKQIFLU-VEQMMRKXSA-N 349.559 4.235 0 50 EIAA COc1ccc(-c2ccnc3c(-c4ccccc4)c(C)nn23)cc1OC 6661539 OLAZJBJOQRVCND-UHFFFAOYSA-N 345.402 4.389 0 50 EIAA O=C(Nc1nccs1)c1cc(-c2ccccn2)nc2ccccc12 9909047 VHMPRQAQSRKCDH-UHFFFAOYSA-N 332.388 4.006 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CC=C(c2ccc(F)cc2)CC1 72128338 UBZKLGPACVBUQR-UHFFFAOYSA-N 348.377 4.410 0 50 EIAA COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2ccco2)cc1 82106837 CEXRSTTVNNUJFW-GOSISDBHSA-N 327.424 4.368 0 50 EIAA COc1ccc([C@H]2CCCCN2C(=O)CCc2scnc2C)cc1 82121781 BUASRRJYFLPPIP-QGZVFWFLSA-N 344.480 4.147 0 50 EIAA COc1ccc(Cl)cc1CC(=O)Nc1cnccc1OC(C)(C)C 131865382 YVSXHKRLSAAPJZ-UHFFFAOYSA-N 348.830 4.102 0 50 EIAA O=C(Nc1ccc(CO)c(Cl)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 170083299 BPLIEVNMYHWMFG-CABCVRRESA-N 336.218 4.228 0 50 EIAA Cc1cc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(C)o1 186736213 FDPDFBMJYPGHAU-UHFFFAOYSA-N 338.329 4.027 0 50 EIAA COc1ccc(C(=O)Nc2nc(C)ccc2OC)cc1-c1ccccc1 225440157 UYZDFTHOHGEURD-UHFFFAOYSA-N 348.402 4.327 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 280642217 BGYQVIDDFYTYBA-ACJLOTCBSA-N 344.434 4.298 0 50 EIAA CCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 372720955 WDEOWASDKJHVEB-HNNXBMFYSA-N 327.428 4.331 0 50 EIAA Cc1ccc2nc([C@@H]3CCCN3c3ncnc4sccc34)[nH]c2c1 675112641 PEFNTGHJNDVVDV-HNNXBMFYSA-N 335.436 4.218 0 50 EIAA CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1nc2ccccc2n1C 823717564 QPEDTFZUJVMBJB-GOSISDBHSA-N 339.439 4.040 0 50 EIAA COc1c(C)ccc(NS(=O)(=O)c2cscc2C(F)F)c1C 901850733 OTERSAZCBKWDOG-UHFFFAOYSA-N 347.408 4.112 0 50 EIAA Cc1cc(NC(=O)N2CCC[C@@]2(C)Cc2cccs2)nn1C(C)C 931779658 NQQWVHSCKLVERO-SFHVURJKSA-N 346.500 4.463 0 50 EIAA CCC[C@@]1(C(F)(F)F)CCCN1C(=O)c1cnc(C(C)(C)C)nc1 952845990 ZPIRODYFGRTCPF-INIZCTEOSA-N 343.393 4.111 0 50 EIAA CC[C@H](NC1CCN(c2ccc(F)cc2C)CC1)c1ccncc1 1506431449 KRYAFVAKJMRYLJ-IBGZPJMESA-N 327.447 4.239 0 50 EIAA Cc1ccc2c(NC[C@H]3CC(=O)N(C4CCCC4)C3)ccnc2c1C 1529103651 GFFVNPODNPDFJD-MRXNPFEDSA-N 337.467 4.055 0 50 EIAA Cc1nccn1-c1ccccc1Cn1ccnc1-c1coc(C(C)C)n1 1857692895 YYAQGJYPSKGUQQ-UHFFFAOYSA-N 347.422 4.204 0 50 EIAA O=C(NCc1ccccc1C1CC1)c1c[nH]nc1-c1ccccc1F 1875349323 UASIQPGKNGCNJQ-UHFFFAOYSA-N 335.382 4.023 0 50 EIAA Cc1coc([C@@H]2CCCN2c2ccc(Cl)c(C(F)(F)F)n2)n1 1875392515 GRZQZNUSNHFKAC-JTQLQIEISA-N 331.725 4.392 0 50 EIAA COc1ccccc1N1C(=O)c2cccc3c(Cl)ccc(c23)C1=O 96997 OODCZOSKGSOHOM-UHFFFAOYSA-N 337.762 4.302 0 50 EIAA CC(C)(C)c1ccc(OCC(=O)Nc2cccc3nsnc23)cc1 104114 OYWFCCDMGUNAAE-UHFFFAOYSA-N 341.436 4.006 0 50 EIAA O=c1c2c(-c3ccccc3)csc2ncn1CCc1ccccc1 144780 GXMJLXANQFAIAW-UHFFFAOYSA-N 332.428 4.368 0 50 EIAA CCOC(=O)[C@@H]1CCCCN1Cc1cccc(Oc2ccccc2)c1 293645 RIWWOJCZCXFRRY-FQEVSTJZSA-N 339.435 4.397 0 50 EIAA COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 454239 LRSHYPNHUWBDGG-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA CC(=O)Oc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1062860 NKNNHVIWLRIARB-UHFFFAOYSA-N 345.398 4.383 0 50 EIAA CCc1ccc(OCCCC(=O)Nc2cc(C)ccc2OC)cc1 1777386 NSZBRBBYYBERLN-UHFFFAOYSA-N 327.424 4.364 0 50 EIAA CCCCSc1nc2ccccc2c(=O)n1-c1ccccc1OC 2302274 COZBRSIOMRIGKS-UHFFFAOYSA-N 340.448 4.287 0 50 EIAA Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 2438044 XFBPUROHNUDMQB-UHFFFAOYSA-N 329.831 4.003 0 50 EIAA CC(=O)CCc1oc2ccc(NC(C)=O)cc2c1-c1ccc(C)o1 3846774 RUPPQKVARAUKRQ-UHFFFAOYSA-N 325.364 4.481 0 50 EIAA biogenic CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(Cc3ccccn3)C2)cc1 12306440 IMAMXMWDWGJOIV-SFHVURJKSA-N 336.479 4.474 0 50 EIAA C[C@H]1CN(CCCOc2ccc(Cl)c3ccccc23)C[C@@H](C)O1 16247540 LBXLFNZMNYGFSZ-GASCZTMLSA-N 333.859 4.371 0 50 EIAA CCO[C@@H](C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1 32601034 BOWMTRHOSGVIPZ-SFTDATJTSA-N 325.452 4.228 0 50 EIAA COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)c(OC)c1 71282928 VEJMEGQQXKNWNH-HNNXBMFYSA-N 341.411 4.139 0 50 EIAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccs2)cc1 77407996 ONLSHIILBNWDOY-KRWDZBQOSA-N 328.481 4.177 0 50 EIAA Cc1ccc2c(c1)[C@@H](n1ccnc1-c1ccc(CO)o1)CC(C)(C)O2 77505478 TWAPYFLBTOOLIM-INIZCTEOSA-N 338.407 4.094 0 50 EIAA Cc1cc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2n1 82109106 YJUXLLZQIZRZBV-LJQANCHMSA-N 338.357 4.409 0 50 EIAA CCCc1nc(C(=O)N2CCC3(CCc4ccccc43)CC2)cs1 91468887 KQDSRQGTRNNNSY-UHFFFAOYSA-N 340.492 4.216 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@H](c2nccc(-c3cccs3)n2)C1 96032170 NYNIBOUKVXPVBR-ZDUSSCGKSA-N 345.468 4.320 0 50 EIAA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)c2cccnc12 159435537 QQNLTPMMFSTMAD-CYBMUJFWSA-N 344.842 4.110 0 50 EIAA CC[C@@H](N[C@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 163820617 GOWLBMWEZWPDJP-IIBYNOLFSA-N 340.467 4.441 0 50 EIAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1nc2c(s1)CCCC2 242292548 YNENUNKJWJQQIM-LLVKDONJSA-N 347.406 4.217 0 50 EIAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2c2nccs2)cc1 257365077 NEKVEZQTFNOVPO-ULQDDVLXSA-N 342.464 4.009 0 50 EIAA Cc1ccc(Br)cc1Cn1c(C(=O)O)cc2ccccc21 313599742 SAFBUIPGQOGVQU-UHFFFAOYSA-N 344.208 4.459 0 50 EIAA O=C(NCc1ccccc1CN1CCCCCC1)NC1CCCCC1 497716432 DCNRCMLEJYZRAN-UHFFFAOYSA-N 343.515 4.195 0 50 EIAA CC(C)c1nc([C@@H]2CCCN2Cc2c(Cl)cncc2Cl)no1 876664647 XUQWJZWBYIWHOX-ZDUSSCGKSA-N 341.242 4.232 0 50 EIAA CC[C@@H]1C=CCN1C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 952869228 GMEQBMDHBCFQGJ-JOCHJYFZSA-N 346.474 4.036 0 50 EIAA COc1cc(F)c(C(=O)N(Cc2ccc(C)s2)C2CC2)c(F)c1 952981781 YHOYBYVOTKTWHS-UHFFFAOYSA-N 337.391 4.148 0 50 EIAA C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1cc2ccccc2nn1 1219265279 MXSLEELYHJMMFJ-XOBRGWDASA-N 346.434 4.465 0 50 EIAA COc1ccccc1-c1ccc(N2C[C@@H](C)C[C@@H]2c2cccnc2)nn1 1354155534 FXRPHMOYAOJQEW-HNAYVOBHSA-N 346.434 4.135 0 50 EIAA C[C@H](C[C@H]1CCOC1)Sc1nnc(-c2c[nH]c3ccccc23)o1 1775990179 DDNPIZIDIFLPIJ-VXGBXAGGSA-N 329.425 4.125 0 50 EIAA C[C@@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O 1857525077 USGKSIJYOHEDEV-VDWQKOAOSA-N 330.468 4.261 0 50 EIAA Cc1cc(C[C@H](C)n2ccnc2-c2ccc(CC(F)(F)F)cc2)n[nH]1 1857681826 BQEXXPQHHMIFLL-ZDUSSCGKSA-N 348.372 4.490 0 50 EIAA COc1ccc([C@@H]2CCCN2c2nc3c(s2)CCCC3)c(OC)c1 1875308117 ZKYXVUUTQRJFMA-INIZCTEOSA-N 344.480 4.381 0 50 EIAA O=C(N[C@@H]1CCCCc2ccccc21)c1c[nH]nc1-c1ccsc1 1875348870 FPHWQQBMTFYCSG-QGZVFWFLSA-N 337.448 4.336 0 50 EIAA CC(C)n1cc2c(n1)C[C@H](NCc1ccc(-c3ccncc3)cc1)CC2 2325783822 FEVJBMYCZMAZIN-OAQYLSRUSA-N 346.478 4.173 0 50 EIAA CC[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CN(C)CCC3)CC1 2325842587 BIYDJTDENNZJKD-RZDIXWSQSA-N 329.488 4.155 0 50 EIAA COc1ccc(CC(=O)Nc2cc(Cl)ccc2Cl)cc1OC 361833 UROTUCYVFGHQJA-UHFFFAOYSA-N 340.206 4.192 0 50 EIAA Cc1ccc(NC(=O)N2CCCCC2)cc1NC(=O)N1CCCCC1 395036 PPWYBOCLKAIBDX-UHFFFAOYSA-N 344.459 4.031 0 50 EIAA CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccnc1 422172 WRJWGCQIMBEWFF-UHFFFAOYSA-N 330.844 4.306 0 50 EIAA CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)O 2541544 PEWJDQQVFVOSHC-UHFFFAOYSA-N 327.380 4.077 0 50 EIAA O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCc2ccccc2C1 3908261 NAJQHTKPOFNDMR-UHFFFAOYSA-N 338.794 4.194 0 50 EIAA COc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 4019002 WTQAHYBCTLFAJH-UHFFFAOYSA-N 334.331 4.349 0 50 EIAA Cc1ccc2cc(CN[C@@H](C)CO)c(-c3cccc(Cl)c3)nc2c1 12047896 IQRWSNKZFVHRJL-AWEZNQCLSA-N 340.854 4.334 0 50 EIAA CCCC(=O)Nc1ccc(NC(=O)c2ccccc2OCC)cc1 12138502 LGARZHJXEUOGEK-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 19144198 DTWVFQMWENAJRN-GOSISDBHSA-N 339.866 4.402 0 50 EIAA COc1ccccc1Oc1ncccc1CN[C@H](C)CC(F)(F)F 67818379 HOTPYSOOEFFSNY-GFCCVEGCSA-N 340.345 4.313 0 50 EIAA Cc1[nH]c2ccccc2c1CC(=O)NCC1(c2ccccc2F)CC1 126635427 WPSUGCDXDJVLTL-UHFFFAOYSA-N 336.410 4.006 0 50 EIAA CCn1cc(C2CCN(C(=O)Nc3ccsc3Cl)CC2)cn1 189306048 CZLNIUCGHWNPBD-UHFFFAOYSA-N 338.864 4.029 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C 245319000 YZZLWRCPCIMEHR-XRNRSJMDSA-N 325.537 4.088 0 50 EIAA Cc1cccc([C@@H](NC(=O)CCc2ccccc2Cl)C2CC2)n1 299802481 WZHDVWCXLLJRTK-IBGZPJMESA-N 328.843 4.244 0 50 EIAA Cc1cccnc1[C@@H]1CCC[C@@H](Nc2cccc(C[S@](C)=O)c2)C1 390834476 ZMKSZCBQXQCCAS-YJLYGGOZSA-N 342.508 4.407 0 50 EIAA O=C1CC[C@H](c2ccc(OCCCOc3ccc(Cl)cc3)cc2)N1 902785593 UETNKRBWPQYZGL-GOSISDBHSA-N 345.826 4.139 0 50 EIAA CC(C)c1ccc(S(=O)(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cc1 1210228982 NHSDBQCJWDCJOM-HNAYVOBHSA-N 329.465 4.192 0 50 EIAA CCCCOc1ccccc1C(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1 1704301324 UYUPVXMYAJHHNN-CTNGQTDRSA-N 345.483 4.287 0 50 EIAA Cc1ccn(-c2cccc(NCc3cc(-c4ccccc4)n[nH]3)c2)n1 1875317387 WBDQIQFKSOIDHJ-UHFFFAOYSA-N 329.407 4.183 0 50 EIAA O=C(Nc1nc(C2CC2)cs1)c1cccn1Cc1ccccc1F 2325871579 QSUSZXNPSIFPOK-UHFFFAOYSA-N 341.411 4.262 0 50 EIAA Cn1c([C@@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 233910 GUWSKXXRBBBLSP-NRFANRHFSA-N 344.414 4.234 0 50 EIAA Cc1ccc(C)c(OCC(=O)Nc2ccccc2Br)c1 316925 HRCSURTYFQMNDW-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA COC(=O)c1ccccc1NC(=S)Nc1cccc2ccccc12 406021 HKDUIEFWPJMIRJ-UHFFFAOYSA-N 336.416 4.435 0 50 EIAA Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1 1073465 PIDNBKLJZIQIGV-UHFFFAOYSA-N 344.374 4.154 0 50 EIAA CCCCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 2103405 KOKDEVGTARXNRJ-UHFFFAOYSA-N 335.469 4.322 0 50 EIAA COc1cc(C=O)ccc1OCCOc1c(C)cc(Cl)cc1C 2984215 QZPPQJVJLFQHHD-UHFFFAOYSA-N 334.799 4.236 0 50 EIAA COc1cc(CNC(C)(C)C)cc(Cl)c1OCc1cccnc1 4999712 LOVNQOCOTWVXCU-UHFFFAOYSA-N 334.847 4.211 0 50 EIAA O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(F)c1F 5051040 YKMQTPDOXVKKMY-UHFFFAOYSA-N 325.786 4.317 0 50 EIAA CN(Cc1ccon1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12306601 RQEKUALRHCOODG-UHFFFAOYSA-N 344.418 4.364 0 50 EIAA O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1ccc(F)cc1 26807163 SSBWRKWRSIHULV-OAHLLOKOSA-N 326.327 4.051 0 50 EIAA O=C(O)/C=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 32919342 IHDWVHDNOMJBOO-VOTSOKGWSA-N 348.446 4.438 0 50 EIAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1c[nH]nc1C1CC1 55309238 QSYHQEIFJWGWKM-HXUWFJFHSA-N 348.450 4.164 0 50 EIAA C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 63871190 SGGNNQXFZPQLFK-GASCZTMLSA-N 348.450 4.038 0 50 EIAA COc1ccc(F)c(CN(C)[C@H](C)c2c(C)n[nH]c2C)c1Cl 67880057 JHXMJTQXNLWUTF-LLVKDONJSA-N 325.815 4.021 0 50 EIAA CCCc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)no1 71721682 KAGNZALMOTZBKM-MRXNPFEDSA-N 344.430 4.251 0 50 EIAA COc1ccc(-c2nc(CN3CCC(F)CC3)c(C)o2)c(C)c1C 71748269 GYWSRDJPOQZFJD-UHFFFAOYSA-N 332.419 4.209 0 50 EIAA CCN1CC2(CCC1=O)CCN(Cc1ccc(C(C)C)cc1)CC2 91526682 KCLHPNTYHHOBBG-UHFFFAOYSA-N 328.500 4.035 0 50 EIAA C[C@@H]1[C@H]2C=C[C@@H](C2=C2CCCC2)[C@H]1C(=O)N(C=O)Cc1ccccc1 103216844 MIWDHVWXSSWBNK-XLNTUCKNSA-N 335.447 4.110 0 50 EIAA CC(C)n1c([C@@H](C)NC(=O)c2cc3occc3[nH]2)nc2ccccc21 132235975 YJKHBIVMVYOUQJ-GFCCVEGCSA-N 336.395 4.183 0 50 EIAA Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(CSC(F)F)o1)N2 153708818 IYZVTFKPJROCAE-CQSZACIVSA-N 338.379 4.240 0 50 EIAA CCc1ncc(NC(=O)c2csc(-c3ccc(C)cc3C)n2)cn1 155502719 KDXYGKGSKGIWCL-UHFFFAOYSA-N 338.436 4.032 0 50 EIAA Cc1ncc(C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)c(C)n1 180065848 PLZCMAAORWWSIU-UHFFFAOYSA-N 338.238 4.065 0 50 EIAA Cc1ccc(-c2nnc([C@H](C)Nc3cnn(CC4CC4)c3)o2)cc1C 186364091 RRHBQERYXQQFJR-AWEZNQCLSA-N 337.427 4.133 0 50 EIAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)C1(C)C 230153239 VINKXWSOYAMQEJ-AQNXPRMDSA-N 346.559 4.195 0 50 EIAA CCCC1(CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)CCC1 241693931 QIWZNWJDAMMHEU-UHFFFAOYSA-N 327.472 4.218 0 50 EIAA CSc1ccc(O[C@H](C)C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1 252516733 WGGFEESJCVWXHD-HWEKDVCVSA-N 345.508 4.117 0 50 EIAA CC(C)c1cc(CN(C)C(=O)Nc2ccc3scnc3c2)on1 299770364 QMIZRAVFLJUJHV-UHFFFAOYSA-N 330.413 4.072 0 50 EIAA C[C@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc2n(n1)CCC2 414108106 LHBVOWAGKCKOAG-HNNXBMFYSA-N 347.466 4.202 0 50 EIAA CC(C)c1nc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)cs1 828207923 KKPVKPLXIXKYGN-CYBMUJFWSA-N 346.452 4.077 0 50 EIAA CCc1ccccc1NC(=O)N(C)C[C@H]1CCN(c2ccccc2)C1 1506403994 YHRRJHYHFZGDAK-QGZVFWFLSA-N 337.467 4.239 0 50 EIAA COc1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c2ccc(C)nc12 1506406317 GVBWAEQSWKQTKQ-UHFFFAOYSA-N 349.434 4.173 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)[C@H]3CCC4(CC4)C3)[C@H]2C)cc1F 1875308964 JWXQANQDLPBHBG-CWRNSKLLSA-N 331.431 4.119 0 50 EIAA O=C(Nc1cncc2ccccc12)[C@H]1CCOc2ccc(Cl)cc21 2325735289 QRUNNMAOPKEFMJ-HNNXBMFYSA-N 338.794 4.393 0 50 EIAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1Cl 456879 CAPPPCNZPYNFGD-FNORWQNLSA-N 336.174 4.374 0 50 EIAA COc1ccc2[nH]cc(CCNC(=O)Nc3cc(C)cc(C)c3)c2c1 6809389 UNHQYILZFIUVJF-UHFFFAOYSA-N 337.423 4.158 0 50 EIAA CC(=O)c1ccc(C2=NNc3cc(Cl)c(Cl)cc3N2O)cc1 6832294 OBUHGMMKKOHBCT-UHFFFAOYSA-N 336.178 4.179 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 9230832 YTYOUSJVUBBIPN-GFCCVEGCSA-N 346.814 4.095 0 50 EIAA c1ccc(OCc2noc(CN3CC[C@H](C4CCCCC4)C3)n2)cc1 11934732 IFZYJCGFVUXDFS-KRWDZBQOSA-N 341.455 4.051 0 50 EIAA CN(Cc1nc2ccccc2o1)C(=O)c1ccc2nc(C3CC3)oc2c1 12387624 FVHRRKLSLORYFP-UHFFFAOYSA-N 347.374 4.119 0 50 EIAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@H]1CO 19954105 CBVBUSOUBNXZDH-FQEVSTJZSA-N 348.446 4.274 0 50 EIAA O=C(Nc1cnc2n1CCCC2)c1ccccc1Oc1ccccc1 67820935 ICXQQRLORQEKSX-UHFFFAOYSA-N 333.391 4.264 0 50 EIAA Cc1cccc(Nc2nc(-c3ccccc3)cc(N3CCOCC3)n2)c1 144473838 HWIIBBOIDMYYNG-UHFFFAOYSA-N 346.434 4.032 0 50 EIAA CO[C@@](C)(C(=O)N(C)Cc1cc2ccccc2o1)c1ccccc1F 192367082 NUQFTPMMYGOMIJ-HXUWFJFHSA-N 341.382 4.092 0 50 EIAA CO[C@H]1CCN(Cc2cccc(OCc3c(F)cccc3Cl)c2)C1 215088060 LUCZTZXMPHRMHA-INIZCTEOSA-N 349.833 4.279 0 50 EIAA CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499605 LGGHTNIMFTVTOB-CSDDPEKQSA-N 345.527 4.061 0 50 EIAA biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC2=O 257346083 QGISYVREUUQQKE-VOSWSFSHSA-N 332.484 4.341 0 50 EIAA Cc1cscc1C(=O)N1CCCc2cc(Br)ccc21 408513084 ITUHNYKVPDZSKD-UHFFFAOYSA-N 336.254 4.412 0 50 EIAA CC[C@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1ncc(C)[nH]1 584902362 JLABQKRLUWSTLO-INIZCTEOSA-N 346.500 4.385 0 50 EIAA O=C(Nc1cc(-c2ccc(F)cc2)no1)[C@H]1C[C@H]1c1cccc(F)c1 1775975432 AUAREVAWIFTILQ-HOTGVXAUSA-N 340.329 4.362 0 50 EIAA Cc1c(C(=O)O[C@H]2CCc3c(F)cccc32)nc(O)c2ccccc12 1875359817 QODAMGCPYWHKRH-KRWDZBQOSA-N 337.350 4.232 0 50 EIAA CCc1ncsc1C(=O)OCc1ccc(Oc2cccnc2)cc1 2325748998 KXCKDIVYCKDWPN-UHFFFAOYSA-N 340.404 4.250 0 50 EIAA COc1ccccc1-c1ccc([C@H](C)NC[C@@H](N)CC(C)C)cc1 2325821952 OSQGIJZFUDWCIV-LPHOPBHVSA-N 326.484 4.386 0 50 EIAA c1ccc(-n2c(SCc3ccncc3)nnc2-c2ccco2)cc1 90807 GEJJPSVVUSHNMK-UHFFFAOYSA-N 334.404 4.215 0 50 EIAA Cc1cccc(C)c1NC(=O)COc1ccccc1Br 137213 RAJIJHIHKCOBQW-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA COC(=O)c1sccc1NC(=S)Nc1ccc(F)c(Cl)c1 256803 XIJNWZUFTPFSCA-UHFFFAOYSA-N 344.820 4.136 0 50 EIAA COc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1 272085 IDYMCUARKJZHCW-UHFFFAOYSA-N 330.434 4.056 0 50 EIAA Cc1cc(C)n(C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)n1 376029 LWPAONGDUZOBRX-UHFFFAOYSA-N 331.375 4.305 0 50 EIAA O=C(O)c1ccc(N2C(=S)c3cccc4cccc(c34)C2=S)cc1 389351 AWATZEYWNRZITM-UHFFFAOYSA-N 349.436 4.409 0 50 EIAA O=C(Nc1cccnc1)c1cccc2c(Br)cccc12 434144 OUQPNFNSAAUJSK-UHFFFAOYSA-N 327.181 4.250 0 50 EIAA Fc1cnc(N2CCc3ccccc32)nc1N1CCc2ccccc21 515567 RQFFCEPEXOAEFN-UHFFFAOYSA-N 332.382 4.004 0 50 EIAA Cc1ccc(C(C)(C)C)c(OCCOCCN2CCC[C@H](C)C2)c1 2822301 VWTNKHSTHINGEN-SFHVURJKSA-N 333.516 4.420 0 50 EIAA CC(=O)Nc1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 2880081 HUMZBSMIXUXDMC-ZDUSSCGKSA-N 328.437 4.073 0 50 EIAA Clc1cccc(CSc2nnc3c(n2)[nH]c2ccccc23)c1 5731720 ULGFBOKTDGAJFR-UHFFFAOYSA-N 326.812 4.452 0 50 EIAA CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F 6746157 LIBLQTOTOWYKFO-AWEZNQCLSA-N 325.742 4.414 0 50 EIAA Cc1cccc(-c2noc(CN(C)C(=O)Nc3ccccc3C)n2)c1 6746904 WMSVNCRIZKDTCS-UHFFFAOYSA-N 336.395 4.017 0 50 EIAA CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 13330131 KCMRDYNQAJGGTH-OAHLLOKOSA-N 344.263 4.423 0 50 EIAA COc1cccc(NC(=O)Nc2ccc(CN3CCCCC3)cc2)c1 16551478 ZMHBIWJVVDGUGF-UHFFFAOYSA-N 339.439 4.325 0 50 EIAA O[C@@H](COc1ccccc1Cl)Cn1c(C2CC2)nc2ccccc21 16903135 BETAEDPCXMNEQH-CQSZACIVSA-N 342.826 4.007 0 50 EIAA O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1 19597529 RFMHQGJRWXPKJH-UHFFFAOYSA-N 345.446 4.190 0 50 EIAA Cc1cccnc1C[C@H](C)NC(=O)CSCc1ccccc1Cl 55119989 NVDRDKDGZPYFMQ-AWEZNQCLSA-N 348.899 4.024 0 50 EIAA Cc1noc(-c2ccnc(-c3cccc([C@@H](C)N4CCCC4)c3)c2)n1 65526104 ROWSEBVEBRZIPT-CQSZACIVSA-N 334.423 4.264 0 50 EIAA CCC[C@@H](C)N(CC)Cc1ccccc1-c1nc(C(F)F)cc(=O)[nH]1 67947561 WQMMQKZFQNPIND-CYBMUJFWSA-N 349.425 4.385 0 50 EIAA CC[C@H](CC(=O)Nc1nc(-c2nccn2C)cs1)c1ccccc1 119112110 DAUVKVQVKSBNPL-CYBMUJFWSA-N 340.452 4.066 0 50 EIAA Cc1[nH]c2ccc(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)cc2c1C 152951946 TYTAVJHVWNRREG-RXVVDRJESA-N 348.446 4.435 0 50 EIAA Cc1cc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)no1 172054201 WSZSQARTVHUMLT-KRWDZBQOSA-N 346.839 4.146 0 50 EIAA Cc1nc([C@H]2CCCN2Cc2ccc(SC3CCCCC3)o2)n[nH]1 215741760 JDNHHZISDILUPX-MRXNPFEDSA-N 346.500 4.468 0 50 EIAA Cc1nc2c(c(-c3ccccc3C(=O)N(C(C)C)C(C)C)n1)CCC2 216096183 CHJJLUCEUOMPSF-UHFFFAOYSA-N 337.467 4.200 0 50 EIAA Cn1nc(CN2CCCC[C@@H]2c2cccnc2)c2c(Cl)cccc21 216275648 PKEYBKQTAYUPFX-QGZVFWFLSA-N 340.858 4.349 0 50 EIAA Cc1nnc(-c2cccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)c2)o1 230154615 PNSDEEYSQQRVPW-DOPJRALCSA-N 339.439 4.086 0 50 EIAA CCCc1occc1C(=O)Nc1ccc(Sc2nncs2)cc1 240278375 DQUMJXZBAUXHCA-UHFFFAOYSA-N 345.449 4.487 0 50 EIAA O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1Cl 247800299 VAACTTPNVPNLFH-STQMWFEESA-N 341.282 4.444 0 50 EIAA Cc1cc(C)c2c(N)c(-c3nc(-c4cccs4)no3)sc2n1 253426812 RJPALVYSIFJDMM-UHFFFAOYSA-N 328.422 4.274 0 50 EIAA CC[C@@H](NCc1nc(-c2cc(C)ccn2)no1)c1cccc(Cl)c1 296398499 VNRNILAGKPJRGB-OAHLLOKOSA-N 342.830 4.334 0 50 EIAA COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl 303309443 RRBLKRXMHGCZIP-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCc1ccco1 534653829 WUSHQPVGEYUONM-UHFFFAOYSA-N 340.345 4.073 0 50 EIAA CC(C)CN(Cc1ccsc1)C(=O)Cc1ccc(O)c(Cl)c1 1506398058 JGHNTPAFMAGLNC-UHFFFAOYSA-N 337.872 4.334 0 50 EIAA Cc1onc(-c2ccc(F)cc2)c1-c1cccc([C@@H]2COCCN2)c1 1875291544 CVROHHONFJPKHI-SFHVURJKSA-N 338.382 4.117 0 50 EIAA C[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 127540 PFSNGPDENSYBKM-AWEZNQCLSA-N 334.375 4.023 0 50 EIAA COc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1C 293936 BAQNWBRNGNXDHX-UHFFFAOYSA-N 344.886 4.288 0 50 EIAA COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2OC)cc1 366328 FLNWSUUTXOMSMN-UHFFFAOYSA-N 333.815 4.319 0 50 EIAA O=C(Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccccc1 383176 LDHWSFNVZYGNHP-UHFFFAOYSA-N 334.249 4.031 0 50 EIAA CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C(C)C 469451 LTTJMQKWRHXAGZ-UHFFFAOYSA-N 341.407 4.039 0 50 EIAA O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1ccccc1 618407 GTKBBAFNRBSWTB-UHFFFAOYSA-N 331.371 4.377 0 50 EIAA COc1ccc(C(=O)Oc2cccc(C)c2C)cc1Br 1067745 YSJCETJNDUHMKW-UHFFFAOYSA-N 335.197 4.294 0 50 EIAA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)c1ccccc1 2572443 ACUYZILXZGMZSY-KRWDZBQOSA-N 325.408 4.005 0 50 EIAA in-vitro COc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 2926382 DQHHQMBYZOHYKZ-UHFFFAOYSA-N 335.856 4.012 0 50 EIAA O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccnc1 4728031 AZXWOEKJGXKDTF-UHFFFAOYSA-N 349.337 4.476 0 50 EIAA CCCCN(CCCC)C(=S)SCn1nnc2ccccc21 5309072 FXICKTKKCCRIDM-UHFFFAOYSA-N 336.530 4.309 0 50 EIAA Brc1ccc(CSc2nnc(-c3ccncc3)o2)cc1 5375854 GYJQIJVEIAFBGY-UHFFFAOYSA-N 348.225 4.186 0 50 EIAA CC(C)N(C)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 12387094 DPTCKRFBBMMPDQ-KRWDZBQOSA-N 342.449 4.300 0 50 EIAA O=C(Nc1cccc(F)c1)[C@@H]1CC12CCN(C[C@H]1CC=CCC1)CC2 14995416 OSHGBSDQLVGQEE-LPHOPBHVSA-N 342.458 4.223 0 50 EIAA C[C@H]1CCC[C@@H](C)N1C(=S)Nc1ccc(Br)cc1 17066938 WAROPAWZKNHESM-PHIMTYICSA-N 327.291 4.409 0 50 EIAA Cn1cncc1Cn1ccc(-c2cccc(-c3ccccc3F)c2)n1 19853260 OHQHMZVAEQOSQJ-UHFFFAOYSA-N 332.382 4.138 0 50 EIAA COc1ccc(C[C@]2(O)C(=O)CCC/C=C3\CC[C@H]2C3(C)C)cc1 34557735 JNMPOENVTSSKQS-IWCNAMSWSA-N 328.452 4.084 0 50 EIAA c1cn(-c2ccc3c(c2)OCO3)c(-c2ccc([C@H]3CCCCO3)o2)n1 67695769 CNULQTKLPUJYPG-CQSZACIVSA-N 338.363 4.103 0 50 EIAA Cc1cccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 67982063 YUDURBGKWDLABH-FCHUYYIVSA-N 345.442 4.139 0 50 EIAA Fc1cccc(COc2ccc(I)cc2)c1 70130658 ODRZCUCRDMZDRC-UHFFFAOYSA-N 328.124 4.009 0 50 EIAA CN(C(=O)c1cccc(Cn2cccn2)c1)[C@@H]1CCCc2ccccc21 77375964 UMEXMSPHCHJCAK-OAQYLSRUSA-N 345.446 4.081 0 50 EIAA COc1ncccc1N(C)C(=O)c1ccc(-c2ccccc2F)s1 133030858 ZLZWASOURXCTPI-UHFFFAOYSA-N 342.395 4.234 0 50 EIAA C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(F)c(O)c(F)c2)C2CC2)o1 170651471 PUDSOADDYNRFPC-YGRLFVJLSA-N 347.361 4.192 0 50 EIAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2cnc3ccccc3c2)n1 178568634 MHOXEQHDGPMNKM-IBGZPJMESA-N 332.407 4.307 0 50 EIAA Clc1ccc(Cl)c(OCCn2nc(C3CC3)nc2C2CC2)c1 181721238 RAQJWWSCLONULX-UHFFFAOYSA-N 338.238 4.419 0 50 EIAA Cc1cc(-c2noc([C@H](C)Nc3cnn(C(C)(C)C)c3)n2)ccc1F 186266494 YSAIJVLNWDKXRU-LBPRGKRZSA-N 343.406 4.309 0 50 EIAA Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 188667398 PTVIDKFTZPEUOF-CQSZACIVSA-N 348.830 4.089 0 50 EIAA CC[C@H]1[CH]C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1cccc(C(F)(F)F)c1 204901185 GWHOWGVJOVWBFN-BMTUUNNOSA-N 341.393 4.166 0 50 EIAA Cc1nc(C2CC2)oc1C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 242191272 XEFWHCBIGJEZIM-ZBFHGGJFSA-N 328.387 4.066 0 50 EIAA CC[C@H](c1ccc(OC)cc1)N(C)Cc1cc(-c2cccnc2)no1 252496809 PSDDNZCWUIFYMY-HXUWFJFHSA-N 337.423 4.328 0 50 EIAA Cc1c(NC(=O)N(C)CCC[C@H]2CCCO2)cccc1N1CCCC1 299771727 XCPMXAVJRQCHCX-KRWDZBQOSA-N 345.487 4.018 0 50 EIAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CC[C@@H](n2cc(Cl)cn2)C1 377817409 SQKBQCZYFANGKB-CQSZACIVSA-N 348.809 4.032 0 50 EIAA C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 732544385 PVRXVQZNEUMIOU-VIFPVBQESA-N 334.206 4.361 0 50 EIAA O=C(Nc1ccc(NCCC(F)(F)F)cc1)N1CCCCCC1 888101085 ANPBYLFFEWJLPW-UHFFFAOYSA-N 329.366 4.459 0 50 EIAA C[C@H](NC(=O)C12CCC(C(=O)O)(CC1)C2)c1cc2ccccc2s1 910252588 UXQVNBNWQNSOKI-RMEHTXHKSA-N 343.448 4.114 0 50 EIAA Cc1nc(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)cs1 1529168835 NLEDHPSRYLKGAE-DLBZAZTESA-N 344.480 4.080 0 50 EIAA CC1CCC([C@](C)(O)CNCc2cc(F)cc3cccnc23)CC1 2325841522 YKIPWQCPBFPUKE-CODVMQSSSA-N 330.447 4.041 0 50 EIAA C[C@@H]1CC[C@H]2CN=C(N[C@H](C)c3ccc(Cl)c(Cl)c3)N2C1 2325863634 QNECPOOAQWUSNE-WZRBSPASSA-N 326.271 4.114 0 50 EIAA CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1 1376 OEGDFSLNGABBKJ-UHFFFAOYSA-N 325.452 4.223 0 50 EIAA in-man COc1ccccc1CNC(=O)C(c1ccccc1)c1ccccc1 299764 FVNAUHWJLODSEC-UHFFFAOYSA-N 331.415 4.144 0 50 EIAA O=C(O)CCCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 476410 NKHKSUHYIBBXHZ-UHFFFAOYSA-N 340.404 4.157 0 50 EIAA CCOc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 2846496 TUMZLROMNYYTSU-UHFFFAOYSA-N 333.453 4.120 0 50 EIAA COc1ccc(-c2ccc(CNCc3cccnc3)o2)cc1Cl 4710708 XMZHTITWRBZTJX-UHFFFAOYSA-N 328.799 4.293 0 50 EIAA Cc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc1 7720200 NVGVKZDHYOSKOZ-UHFFFAOYSA-N 349.434 4.486 0 50 EIAA O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccon1 15062701 KKYLFIWTKCZYAO-GOSISDBHSA-N 340.810 4.166 0 50 EIAA O=C1CC[C@@H]2CN(C3CCCCC3)CC[C@@H]2N1CC1CCCCC1 20534297 YGHSAQBPEJMKNA-QUCCMNQESA-N 332.532 4.212 0 50 EIAA CC(=O)c1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1 72140303 NCAGZKZYMBVFLK-UHFFFAOYSA-N 327.399 4.072 0 50 EIAA CCCN(CC1CC1)C(=O)Nc1cccc(-c2nnc(C)s2)c1 96147943 PCCWPWHHLQBMHE-UHFFFAOYSA-N 330.457 4.167 0 50 EIAA C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ncc(-c2ccccc2)o1 125606470 INYPECXVDNBHRE-ZDUSSCGKSA-N 331.375 4.314 0 50 EIAA Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@@H]2c2ccco2)n1 151109549 FSIJJTXYCOEJPD-QGZVFWFLSA-N 336.395 4.143 0 50 EIAA CC(C)[C@@H]1CCCN(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1 170627039 KPLCZTHZCYHJSP-CQSZACIVSA-N 328.412 4.083 0 50 EIAA Fc1ccc([C@@H]2CN(Cc3cccc(-c4cccnc4)c3)CCO2)cc1 179427242 IJTXODCUFRTECU-QFIPXVFZSA-N 348.421 4.461 0 50 EIAA COc1cc(CNCc2cccc(O)c2)ccc1OCCC(C)C 237115443 GRJMHTNWSIPFBJ-UHFFFAOYSA-N 329.440 4.116 0 50 EIAA CCc1noc(C)c1NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 241231097 KRYWCFUSXMJTIP-LBPRGKRZSA-N 349.381 4.235 0 50 EIAA Cc1ccc(-c2cccc(NC(=O)N3CCC[C@@]4(CCNC4)C3)c2)cc1 299755040 AKRUJWLZNYLVEN-QFIPXVFZSA-N 349.478 4.269 0 50 EIAA COc1ncc(Cl)c(N2CCC[C@H]2c2nc3ccccc3s2)n1 301682821 KJSJIBDUZRZITF-LBPRGKRZSA-N 346.843 4.090 0 50 EIAA CCc1ccc2occ(C(=O)N3CCC[C@H]3c3cn(C)nc3C)c2c1 368614983 OUDFQIINEGHYJF-SFHVURJKSA-N 337.423 4.014 0 50 EIAA C[C@@H](NC(=O)c1ccccc1OC(F)F)c1c(F)cccc1F 496818756 VHEMGBFNRKRYEC-SECBINFHSA-N 327.277 4.057 0 50 EIAA O[C@H](CNc1nccc(Oc2ccccc2)n1)c1cccc(Cl)c1 788535179 CQULWFSLTOYRDF-MRXNPFEDSA-N 341.798 4.068 0 50 EIAA COc1ccc(CN2C[C@@H]3C[C@]3(C)C2)cc1OCc1ccccc1F 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c1ccc(-c2cc(-c3ccccc3)o/c(=N/[n+]3ccccc3)c2)cc1 5490913 JPSLMERLZKGJGL-GHVJWSGMSA-N 325.391 4.265 0 50 EIAA Cc1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)o1 15011015 VAXNTNIPFQQXKW-VBKFSLOCSA-N 327.405 4.257 0 50 EIAA CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 16605885 QKXKNZVCVNPWEA-UHFFFAOYSA-N 336.435 4.127 0 50 EIAA CCOC(=O)C1(CCc2ccccc2)CCN(CCCSC)CC1 20450714 XLVXUGLSZOFQMY-UHFFFAOYSA-N 349.540 4.018 0 50 EIAA OC[C@@H]1CCCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 20599444 NIXRKYWDBAUDGD-NRFANRHFSA-N 347.462 4.091 0 50 EIAA Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cccc3ccccc23)n1 20606809 SETYTIIJQYBGKA-CQSZACIVSA-N 336.439 4.111 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)Nc1cccc2cc(C(=O)O)[nH]c12 44126950 FSFCPHYWSUCKBO-UHFFFAOYSA-N 347.733 4.303 0 50 EIAA CNCCCn1cnc(-c2ccccc2)c1/C=C/c1ccc(F)cc1 65424853 ZQKGAZKDRGJDFX-JLHYYAGUSA-N 335.426 4.469 0 50 EIAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1Cn1cnc(C2CC2)n1 67908480 RGSYAYRWAYLAEP-UHFFFAOYSA-N 348.328 4.186 0 50 EIAA COc1ccc(-c2nc(CN3CCC[C@H]3c3ccccn3)c(C)o2)cc1 72161149 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Cc1ccc2c(C)c(C(=O)N3CC(OCc4ccccc4)C3)oc2c1 91651115 OEIHVAGIXIGTLW-UHFFFAOYSA-N 335.403 4.091 0 50 EIAA CCCc1cc(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)[nH]n1 91693545 PYDHIMDIVZSPFN-UHFFFAOYSA-N 333.435 4.301 0 50 EIAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CC(F)(F)F)c1ccccn1 155881518 AYEXYMFQEGNOHR-VXGBXAGGSA-N 340.370 4.151 0 50 EIAA Cc1cccn2cc(CNC(=O)[C@@H]3C[C@H]3c3ccc(C(C)C)cc3)nc12 170636895 BZNQECARXFWASC-VQTJNVASSA-N 347.462 4.186 0 50 EIAA Cc1ccc(C(=O)O)cc1NC(=O)C1(c2ccc(F)cc2F)CCC1 190872974 ZUBKBWIULBPMRD-UHFFFAOYSA-N 345.345 4.032 0 50 EIAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@@H]1c1ccccc1 276968451 QBZYPQYWBBEXBU-JQVVWYNYSA-N 333.431 4.091 0 50 EIAA Cc1cc(NC(=O)N(C)Cc2ccc(C)s2)n([C@@H](C)C2CC2)n1 299776787 CUZSOHFRHDOKQT-ZDUSSCGKSA-N 332.473 4.196 0 50 EIAA Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c(O)c1 675589433 VNEJNZJARQCOFJ-INIZCTEOSA-N 336.391 4.209 0 50 EIAA Cc1noc(C)c1C[C@@H](C)Nc1cccc(-n2cnc3ccccc32)n1 892614135 FXWWGUWDQYQFCI-CYBMUJFWSA-N 347.422 4.068 0 50 EIAA Cc1cc(OCC2CC2)ccc1-c1cc(C)c2[nH]nc(C(=O)O)c2c1 1875354752 NRFYXUBAPKGHDP-UHFFFAOYSA-N 336.391 4.334 0 50 EIAA CN(Cc1ccc2cc[nH]c2c1)Cc1csc([C@H]2CCCO2)n1 2325761147 NLSAYUUAXAETAM-QGZVFWFLSA-N 327.453 4.108 0 50 EIAA O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1CCCC[C@@H]1C1CCOCC1 2325810444 LDCAHLGFLGNFME-VAMGGRTRSA-N 345.458 4.127 0 50 EIAA O=C(CN1C2=NCCCN2c2ccccc21)c1cccc2ccccc12 186904 XRXHYGKBZDIWQM-UHFFFAOYSA-N 341.414 4.109 0 50 EIAA CC(=O)c1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 310000 GQFCRYKMHGGRFP-UHFFFAOYSA-N 343.382 4.373 0 50 EIAA C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Br)cc1 455165 ZDUVVAWZLCQKSN-ZDUSSCGKSA-N 332.241 4.200 0 50 EIAA C[C@H](CCc1ccccc1)NC(=O)c1ccc(Br)cc1 455166 ZDUVVAWZLCQKSN-CYBMUJFWSA-N 332.241 4.200 0 50 EIAA CCOc1ccccc1Oc1c(C)oc2cc(OC)ccc2c1=O 465987 UTNOCTIBEHKTHL-UHFFFAOYSA-N 326.348 4.301 0 50 EIAA CC1(C)CC(NC(=O)c2ccccc2-c2ccccc2)CC(C)(C)N1 5013706 RQNIWVZVNBPWBF-UHFFFAOYSA-N 336.479 4.393 0 50 EIAA COc1ccc([C@H]2CN(C)C[C@H]2C(=O)c2ccc(C)cc2)cc1Cl 6922810 GJASQCPZJSUPBP-IAGOWNOFSA-N 343.854 4.185 0 50 EIAA Fc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 8687357 KJFDGACHNSDKAG-UHFFFAOYSA-N 325.206 4.397 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCCc1ccccn1 12307529 OULMLNFYJYAKPI-FQEVSTJZSA-N 348.421 4.102 0 50 EIAA CCCCOc1c(CN[C@H](C)c2ncccc2C)cccc1OC 55310118 PPIWPJFOKZUKJI-MRXNPFEDSA-N 328.456 4.428 0 50 EIAA CCCN(Cc1ccccn1)C(=O)c1oc2cc(OC)ccc2c1C 65399371 YBMMDNYPYFMTLR-UHFFFAOYSA-N 338.407 4.197 0 50 EIAA Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1nc(-c2ccccc2)oc1C 65428166 LSDFWASRQPHJBR-HNNXBMFYSA-N 334.375 4.138 0 50 EIAA CCCN(C(=O)c1csc2nc(-c3ccccc3)cn12)C1CC1 67817873 JSOACOYVSOHJGW-UHFFFAOYSA-N 325.437 4.077 0 50 EIAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccccn1)CCO2 67886498 OZQJKVXVPJLQDJ-UHFFFAOYSA-N 346.430 4.157 0 50 EIAA Cc1nc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cs1 71774919 YMZBGCKFPQVAIN-HNNXBMFYSA-N 343.279 4.332 0 50 EIAA Cc1ccc2nc(N3CCC[C@@H](OCc4cccnc4)C3)sc2c1 77418974 QBBMQEVCRCBVAR-MRXNPFEDSA-N 339.464 4.185 0 50 EIAA CC[C@H]1C=CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 95366670 XGVFAJNPQAJOCL-INIZCTEOSA-N 329.403 4.087 0 50 EIAA Cc1c(C[C@@H](O)CNC(C)C)nc2ccccc2c1-c1ccccc1 96027643 LKWFDWARCBJHLY-GOSISDBHSA-N 334.463 4.112 0 50 EIAA Cc1nc(CN[C@@H](c2ccccc2)c2nc3ccccc3n2C)oc1C 125975023 GBVQGSZVTMEJSE-FQEVSTJZSA-N 346.434 4.057 0 50 EIAA Cc1c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)[nH]c2ccccc12 146365683 KBXWFJYZPSGLEK-UHFFFAOYSA-N 347.201 4.396 0 50 EIAA CCC(C)(C)C1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 170638174 KXLYYJSGANPOQI-ZKLCHKPXSA-N 336.520 4.094 0 50 EIAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 239046359 FPFRIIVGTRKFAQ-WVATUKLVSA-N 348.229 4.251 0 50 EIAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 239235607 WHSLRMIXNXZNST-IQGAEYHTSA-N 345.398 4.099 0 50 EIAA O=C(c1cccc2ccccc12)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 247832328 LMLLCMMSOREGRM-ICSRJNTNSA-N 348.490 4.176 0 50 EIAA Cn1c(SCc2cc(C(C)(C)C)on2)nnc1-c1ccc(F)cc1 253433080 ROMFUEPTOYIYLW-UHFFFAOYSA-N 346.431 4.199 0 50 EIAA CCCOc1ccc(NC(=O)c2cnc(C(C)=O)s2)cc1Cl 411526257 DFVAJOBXNLOIDU-UHFFFAOYSA-N 338.816 4.040 0 50 EIAA Cc1ccccc1-c1nsc(N2CCC[C@@H]2c2nc(C)c(C)[nH]2)n1 895197063 OMCZRHSVCBMNDN-OAHLLOKOSA-N 339.468 4.195 0 50 EIAA C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1cc2ccccc2nn1 1219265278 MXSLEELYHJMMFJ-VLIAUNLRSA-N 346.434 4.465 0 50 EIAA CC(C)(C)OC(=O)c1cc(N2CCCC3(CC2)CC3)c(C2CC2)nn1 2325823737 CEHLBLKRGDXTPS-UHFFFAOYSA-N 343.471 4.080 0 50 EIAA CCC1CCC([C@](C)(O)CNCc2cnc3c(F)cccc3c2)CC1 2325841817 GZYCCYFLNALYLC-ZYKWQNGHSA-N 344.474 4.431 0 50 EIAA Fc1cccc(Cl)c1[C@@H]1CN(c2ccnc3cnccc23)CCO1 2325855096 HPULGPMLGYECLC-KRWDZBQOSA-N 343.789 4.000 0 50 EIAA Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 97504 RKQMAPDBPWKFGD-UHFFFAOYSA-N 342.402 4.290 0 50 EIAA O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccco1 243071 MFTZJKMJSBSQII-UHFFFAOYSA-N 330.727 4.031 0 50 EIAA O=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 454366 QBTVTKLDIBALGW-UHFFFAOYSA-N 325.147 4.083 0 50 EIAA CCOC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1 2520661 MBUXRFNLZCQKJX-UHFFFAOYSA-N 340.810 4.429 0 50 EIAA Cc1cc(C)cc(OCn2ccc(C(=O)Nc3cccc(C)c3C)n2)c1 2798750 NLZDTZLBTYZRPB-UHFFFAOYSA-N 349.434 4.406 0 50 EIAA CCN(CC)CCCCOc1ccc(C(=O)c2ccccc2)cc1 3003759 GWSRIUFFKGTYNR-UHFFFAOYSA-N 325.452 4.418 0 50 EIAA Clc1cc(Br)ccc1OCCCN1CCCCC1 3003903 CNBYXWYKCZWKRM-UHFFFAOYSA-N 332.669 4.357 0 50 EIAA CC(C)C[C@H](O)c1ccc2c(c1)CN(Cc1ccc(F)cc1)CCO2 12035285 UPDSSFQPDHZPET-FQEVSTJZSA-N 343.442 4.300 0 50 EIAA Cc1c[nH]c(CN(C)C(=O)C[C@H](c2ccccc2)c2ccccc2C)n1 12446163 AJIRRWDLUUCTKI-HXUWFJFHSA-N 347.462 4.207 0 50 EIAA CC(C)c1n[nH]/c(=N/C(=O)Nc2ccc(Cl)cc2Cl)s1 18100203 DVNDONFSHJUTMV-UHFFFAOYSA-N 331.228 4.034 0 50 EIAA COc1ccc2c(C)cc(N3Cc4cnc(C(C)(C)C)nc4C3)nc2c1 67756299 NDJZTPRAHHUHCP-UHFFFAOYSA-N 348.450 4.160 0 50 EIAA O=C(C1CC1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 71315491 HFLOYTCUINEZAG-UHFFFAOYSA-N 343.430 4.038 0 50 EIAA COc1c(C)cnc(CN(C)C(=O)c2ccc3oc(C)cc3c2)c1C 91645236 YCUYNCCWCBAXKT-UHFFFAOYSA-N 338.407 4.034 0 50 EIAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 101856126 UZFDRFFDCWYPFY-IQGAEYHTSA-N 347.414 4.323 0 50 EIAA CC(C)n1c([C@H]2CCCN(C(=O)C3=CCCC3)C2)nc2ccccc21 120697593 RPWPRSKWRFUDOJ-KRWDZBQOSA-N 337.467 4.434 0 50 EIAA Cc1ccc2[nH]cc(CCC(=O)Nc3cnn([C@H](C)C4CC4)c3)c2c1 186426288 PQSCGZQKKQRZAK-CQSZACIVSA-N 336.439 4.215 0 50 EIAA COC[C@@H](c1ccccn1)N(C)Cc1ccccc1OC1CCCC1 216192524 UHRRQQMKQPRIOP-FQEVSTJZSA-N 340.467 4.223 0 50 EIAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(Cl)cc1)c1cccnc1 230156907 LAFBKDIAPSSYEF-ZHALLVOQSA-N 340.854 4.329 0 50 EIAA CN[C@@H](C)Cc1noc(-c2sc3cc(Cl)ccc3c2Cl)n1 261871726 VINFBGNABZQIOP-ZETCQYMHSA-N 342.251 4.409 0 50 EIAA CCCn1c(C)cc(-c2csc(NC(=O)c3cncs3)n2)c1C 288162024 QBXCLYVYFCMWAL-UHFFFAOYSA-N 346.481 4.347 0 50 EIAA CO[C@@H](C)c1nc(C)c(C(=O)N[C@]2(C)CCCc3ccccc32)s1 331887792 DGLPJERZYRFIBB-ORAYPTAESA-N 344.480 4.140 0 50 EIAA CCC(CC)(C(=O)N[C@@H](C)Cc1ccc(O)cc1)c1ccccc1 427711085 ROHALCNVWRROFU-INIZCTEOSA-N 325.452 4.197 0 50 EIAA COc1ccc(N(C)C(=O)Cc2csc3ccccc23)cc1F 466913240 HKLXMGUFXMUYOW-UHFFFAOYSA-N 329.396 4.255 0 50 EIAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccc2ncccc2c1 952975417 YHFJFMFQHJEVKJ-QGZVFWFLSA-N 348.402 4.045 0 50 EIAA O=C(NC[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1775976282 PXURGCHUVHGTIS-JCHJZTRSSA-N 325.839 4.363 0 50 EIAA CCOc1ccc(-c2nccn2C[C@H]2CCC[C@@H](N)C2)cc1Cl 1857740604 LYIVLUYYXRCSPR-DZGCQCFKSA-N 333.863 4.120 0 50 EIAA Cc1cc2cccc(CN3C[C@H](c4ccccc4)[C@@H](C(=O)O)C3)c2o1 1875283588 XAIRFXQFSJXCFL-MOPGFXCFSA-N 335.403 4.041 0 50 EIAA CC1(C)CO[C@H](C(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)C1 1875358150 LIMACIVEWXPWDA-RTWAWAEBSA-N 349.474 4.170 0 50 EIAA Cc1cc(C(=O)N2CC[C@H]3CC[C@]32c2cccs2)cc2nc[nH]c12 1875408559 ZGCAOGOPYMWKDR-AUUYWEPGSA-N 337.448 4.084 0 50 EIAA C[C@@H](NCc1cncc(C(C)(C)C)c1)c1ccnn1-c1ccccc1 2325773970 KDRBPQSUQMPLIL-MRXNPFEDSA-N 334.467 4.416 0 50 EIAA OCc1ncc(C(F)(F)F)n1Cc1ccccc1-c1ccccc1 2325821283 BDDFATITIZFJLD-UHFFFAOYSA-N 332.325 4.110 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 443194 RJDFCMORLZFHBB-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1OCC 505326 NRMCIOQJRMCQHL-UHFFFAOYSA-N 333.815 4.067 0 50 EIAA Cc1cc(C)nc(NC(=O)CC(c2ccccc2)c2ccccc2)n1 535317 IWWJXFWDAARAHZ-UHFFFAOYSA-N 331.419 4.254 0 50 EIAA CCCOC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C 2109118 ZNGRTGUGYHZAMS-UHFFFAOYSA-N 346.452 4.075 0 50 EIAA O=C(N1CCCCCC1)n1c(Cc2ccccc2)nc2ccccc21 4136542 VJWIPWNYNSKZMP-UHFFFAOYSA-N 333.435 4.471 0 50 EIAA Cc1c(Cl)cccc1NC(=S)NC1CC(C)(C)NC(C)(C)C1 4682539 HQJFKKJKISLGTF-UHFFFAOYSA-N 339.936 4.244 0 50 EIAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccs1 4985809 VHBZUJPDUTTYBR-OAHLLOKOSA-N 337.444 4.499 0 50 EIAA C[C@H](NC[C@H](O)COc1ccccc1C(C)(C)C)c1ccccc1 5073881 QCDAHAHOFXFTEW-WMZOPIPTSA-N 327.468 4.075 0 50 EIAA O=C(Nc1ccccn1)Nc1ccc(Br)cc1Cl 6715144 SAZIWOGPTOUJPU-UHFFFAOYSA-N 326.581 4.142 0 50 EIAA Cc1cc(SCC(=O)N2CCCCCC2)nc2c(C)cccc12 12000310 GUUUAXVVBQMEIP-UHFFFAOYSA-N 328.481 4.346 0 50 EIAA CSc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 16985215 GKMOBJAVGSZFOZ-UHFFFAOYSA-N 327.449 4.095 0 50 EIAA FC(F)(F)c1nn2c(-c3cc(Cl)cc(Cl)c3)nnc2s1 36357277 GBBMIRKZCHYPFI-UHFFFAOYSA-N 339.129 4.178 0 50 EIAA C[C@H](c1cccc2ccccc12)N(C)c1cc(C2CCNCC2)ncn1 67674219 SEHQRCSMXFBKDC-MRXNPFEDSA-N 346.478 4.294 0 50 EIAA CC(C)(C)n1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 67726176 CIUMPZJEDQZIFA-QGZVFWFLSA-N 346.858 4.110 0 50 EIAA CC[C@@H](C)C(=O)N1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67965348 REXZSFSNHRIKDE-GFCCVEGCSA-N 345.464 4.196 0 50 EIAA Cc1ccc([C@@H](C)CCN(C)Cc2cc(-c3cccnc3)no2)o1 77354712 YFJUIGBUUQFECM-AWEZNQCLSA-N 325.412 4.264 0 50 EIAA O=C(c1cccc(-n2cccn2)c1)N1CCCCC[C@H]1c1ccco1 82121231 MMERAQYGYAKLCG-SFHVURJKSA-N 335.407 4.223 0 50 EIAA c1ccc2c(c1)Sc1cccc(-c3nc4c([nH]3)CCNC4)c1S2 95391288 BVBHDIKNKKPKSB-UHFFFAOYSA-N 337.473 4.338 0 50 EIAA Cc1ccc(C)c(NC(=O)c2cc(C(C)C)n(-c3ccccn3)n2)c1 120006307 MIKJYKZEIMYWGX-UHFFFAOYSA-N 334.423 4.260 0 50 EIAA Cc1cc(F)ccc1[C@@H]1CC(=O)CCN1C(=O)OCc1ccccc1 139442158 YDYUSCAHHHPNHK-IBGZPJMESA-N 341.382 4.177 0 50 EIAA C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1 170601624 AZNDSWXVZQQKBH-OXJNMPFZSA-N 346.434 4.247 0 50 EIAA COC[C@H](NCCc1coc(-c2ccc(F)cc2)n1)c1ccccc1 225634540 AWIJRQAEDGCWHS-IBGZPJMESA-N 340.398 4.001 0 50 EIAA CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc3c2CN(C)C3)c1 225746605 SVTYXZCFNRGOQM-OAHLLOKOSA-N 338.451 4.161 0 50 EIAA Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)n1 257365591 VUTUWMYMQLCZQA-VNQPRFMTSA-N 344.455 4.100 0 50 EIAA CC(C)n1cc2ccc(NC(=O)c3occc3Br)cc2n1 408513388 ROGGACBEUHOCKL-UHFFFAOYSA-N 348.200 4.225 0 50 EIAA C[C@H](c1ccc(F)nc1)N1CCC(OCc2ccccc2F)CC1 863950180 AKNPQGRDAVBELT-CQSZACIVSA-N 332.394 4.102 0 50 EIAA COc1cc(F)c(-c2nccn2-c2ccc3c(c2)C[C@H](C)O3)c(F)c1 1772706937 NXUFSUCIEYAGEW-NSHDSACASA-N 342.345 4.150 0 50 EIAA COc1cccc(-c2cc(C(=O)OCCc3cncs3)c(C)o2)c1 2325855136 JKDAZCOTFUVKBE-UHFFFAOYSA-N 343.404 4.120 0 50 EIAA O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2cccc(F)c2)o1 194265 IGQZFVMAFNPJMF-UHFFFAOYSA-N 342.713 4.303 0 50 EIAA CNCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 259200 LONQMTMXWBIVQT-UHFFFAOYSA-N 338.354 4.054 0 50 EIAA OCc1cc(Br)ccc1OCc1ccc(Cl)cc1 475084 FOPJYZHOZCSTTK-UHFFFAOYSA-N 327.605 4.174 0 50 EIAA Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1Cl 617075 ZRSNPSSERMAFTP-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA CCc1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1 857466 ZJUXIBXMHQLVNH-GOSISDBHSA-N 346.430 4.192 0 50 EIAA CC(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1 1397708 NORXSDZZFKXNPM-KRWDZBQOSA-N 326.827 4.471 0 50 EIAA CCN(CC)CCSCC(=O)Nc1ccc(Cl)cc1Cl 2161804 WEZHKAHYMWYMBD-UHFFFAOYSA-N 335.300 4.007 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccccc2F)s1 9041782 DBXAJSVAVQSLID-UHFFFAOYSA-N 332.335 4.127 0 50 EIAA COc1ccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1 11933261 QHNDYILRHJRKBR-QGZVFWFLSA-N 343.854 4.444 0 50 EIAA CCCCc1nc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c[nH]1 12307283 BJCVKFQHEBTFMQ-HNNXBMFYSA-N 348.441 4.107 0 50 EIAA CCOc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 19788217 YCCKHBGJOREDRL-UHFFFAOYSA-N 344.886 4.057 0 50 EIAA CCN(Cc1ccccc1F)C(=O)c1cccc(CCC(C)(C)O)c1 72411953 BRUVWQJPMSMTEX-UHFFFAOYSA-N 343.442 4.192 0 50 EIAA O=C(c1ccsc1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72427068 QFGBERLWDISRFH-CMKODMSKSA-N 341.476 4.041 0 50 EIAA CCc1ccc(C(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 72434114 PWSFFEOPFDWPIP-UHFFFAOYSA-N 332.407 4.343 0 50 EIAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2noc(-c3ccco3)n2)C1 91665462 ZVBQICNGRZPSCD-IBGZPJMESA-N 343.427 4.205 0 50 EIAA O=C(c1cnc2c(c1)CCCC2)N(Cc1ccc2[nH]ccc2c1)C1CC1 97776246 QTFAUOYPMIMRRU-UHFFFAOYSA-N 345.446 4.247 0 50 EIAA COc1cc(N)c(Cl)cc1C(=O)Nc1nc2ccc(C)cc2s1 237293772 UTEMXOLLGBCSDA-UHFFFAOYSA-N 347.827 4.101 0 50 EIAA CC[C@@H](C)[C@@H](CO)NC(=O)CCCc1cn(C(C)C)c2ccccc12 253398544 CERKVALIJLRKOE-VQIMIIECSA-N 344.499 4.068 0 50 EIAA biogenic Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cn(C(C)C)cn1 253431415 QANKFBXSHLGOJK-UHFFFAOYSA-N 348.450 4.010 0 50 EIAA CC(=O)N(C)c1ccc(C(=O)N(c2cc(C)ccc2C)C(C)C)cc1 278720963 MDUFQYSNOATBEG-UHFFFAOYSA-N 338.451 4.341 0 50 EIAA Cc1nn(C)c(C)c1C(=O)Nc1cc(Cl)ccc1OC1CCCC1 283747959 IDQYJXSQRGNSJK-UHFFFAOYSA-N 347.846 4.264 0 50 EIAA Cc1ncc([C@@H](C)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c(C)n1 332605646 KGDOQLTVRXUULX-CYBMUJFWSA-N 337.471 4.451 0 50 EIAA O=C1CCc2ccc(OCc3csc(C4CCCC4)n3)cc2N1 333347596 VBQIFMLPCYMYRV-UHFFFAOYSA-N 328.437 4.264 0 50 EIAA CC(C)(C)OC(=O)Nc1cc(Cl)ccc1C(=O)[C@H]1CCCO1 407986140 GBNBJXZHERHRKB-CYBMUJFWSA-N 325.792 4.049 0 50 EIAA COc1cccc(NC(=O)c2cc3cccc(C)c3nc2Cl)c1 408517040 VWAHCZITRFPNOD-UHFFFAOYSA-N 326.783 4.458 0 50 EIAA O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1Cc2ccc(O)cc2C2(CC2)C1 462551560 KPYUOHCVAPHJBK-ZYSHUDEJSA-N 339.479 4.373 0 50 EIAA CC1(C)CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CCN1 477343281 UWJKNNGXCXSKHB-UHFFFAOYSA-N 343.279 4.032 0 50 EIAA CC1=C(c2ccccc2)[C@@H]1C(=O)NC1CCN(c2cccc(C)c2)CC1 670470532 KJFWLGMVHRSVMK-JOCHJYFZSA-N 346.474 4.184 0 50 EIAA Cc1ccc(CCC(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)cc1 828065402 IOXUSZMSSVEWEB-INIZCTEOSA-N 336.435 4.082 0 50 EIAA CN(Cc1ccns1)c1nc(-c2ccccc2)nc2ccccc12 1472827826 BLSBFOXZQOXKIF-UHFFFAOYSA-N 332.432 4.390 0 50 EIAA Cc1cc(F)ccc1C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1857717695 UDZNBQKREZYTBF-UXHICEINSA-N 341.426 4.372 0 50 EIAA C[C@H]1CCc2nc(C(=O)N[C@@H](CC(F)(F)F)C(C)(C)C)ccc2C1 1875355800 ADCKAAMKZCTBEZ-NHYWBVRUSA-N 342.405 4.303 0 50 EIAA Cc1noc2ccnc(N[C@H](C)c3cnn(-c4ccccc4)c3C)c12 2325821285 BIIAXUTZYXCBDR-GFCCVEGCSA-N 333.395 4.198 0 50 EIAA O=C(Nc1nc2ccc(Br)cc2s1)c1cccs1 106524 PBTDVLHIEJPHGQ-UHFFFAOYSA-N 339.239 4.373 0 50 EIAA COC(=O)c1ccccc1OC(=O)Nc1cccc(Cl)c1Cl 400362 YDPILRXZNZTJID-UHFFFAOYSA-N 340.162 4.391 0 50 EIAA O=c1c2cc(Cl)ccc2ncn1Cc1ccc(Cl)cc1Cl 2529394 RWRXQBFAWYLYBA-UHFFFAOYSA-N 339.609 4.405 0 50 EIAA Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2cccs2)S3)c1 4268650 AAWCONOXRYSKCP-CYBMUJFWSA-N 327.434 4.192 0 50 EIAA Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2ccc(F)cc12 4982041 KAFFJADXEIPMNZ-UHFFFAOYSA-N 339.389 4.148 0 50 EIAA Cc1cccc(OCc2nnc(NC(=O)Nc3ccccc3)s2)c1 8771476 GVHYOGRJVUFUBQ-UHFFFAOYSA-N 340.408 4.070 0 50 EIAA Cc1c(-c2nnc(-c3ccco3)o2)nnn1-c1ccc(C(C)C)cc1 12274021 LWGAFXXLAWYILY-UHFFFAOYSA-N 335.367 4.009 0 50 EIAA COc1cc(Cl)cc(/C=C/c2cc(=O)c3ccccc3[nH]2)c1O 15016954 ACRGDUZLCAUDCT-VOTSOKGWSA-N 327.767 4.066 0 50 EIAA O=c1[nH]c(=S)[nH]c2scc(-c3ccc(Br)cc3)c12 18183439 NTAJPZDBKREMIK-UHFFFAOYSA-N 339.239 4.077 0 50 EIAA Fc1cccc(F)c1CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 22876369 YQXOABLFXYUKNB-WOJBJXKFSA-N 334.454 4.194 0 50 EIAA COCC(=O)Nc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 29170305 ZEQQGXGBLAZPQK-UHFFFAOYSA-N 346.471 4.063 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 43759612 NCMZQTLCXHGLOK-ZBGUWCLVSA-N 330.468 4.450 0 50 EIAA in-vitro CC(C)NC(=O)c1cc(N[C@H](CC(C)(C)C)c2cccnc2)ccn1 72156396 NTXHRUBECQZWLM-GOSISDBHSA-N 340.471 4.204 0 50 EIAA CSc1ccccc1C(=O)N(C)Cc1cc(-c2ccccc2)no1 72429154 CYFNKVSLVALLAQ-UHFFFAOYSA-N 338.432 4.336 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N(C)[C@@H](C)c3cncs3)c2c1 77515890 LWDITWNNRGBGIB-ZDUSSCGKSA-N 339.464 4.395 0 50 EIAA CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 170631326 ACSWWXKIMLTEIZ-OITRNQOZSA-N 348.531 4.096 0 50 EIAA Cc1ncc(-c2ccc(NC(=O)C[C@H](C)c3c(C)n[nH]c3C)cc2)o1 179441024 LMKJSUQPNSABOH-NSHDSACASA-N 338.411 4.122 0 50 EIAA COc1cc(N)c(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 237277262 XUMZAGCQCYRUAD-UHFFFAOYSA-N 344.720 4.202 0 50 EIAA O=C(Cc1ccc(O)cc1)NCc1ccc(-c2cccc(Cl)c2)o1 1772815468 MAICGORVGCUKEQ-UHFFFAOYSA-N 341.794 4.165 0 50 EIAA O=C(Nc1ccc([C@@H](F)C(F)(F)F)cn1)c1cccc2c1CCC2 1875342397 PKPCXRCLVGLLNT-OAHLLOKOSA-N 338.304 4.396 0 50 EIAA N[C@H]1[C@@H]2[C@@H]1CCCCN2Cc1cccc(Oc2ccc(Cl)cc2)c1 2325826729 KSZWLDQHTJGZAS-AQNXPRMDSA-N 342.870 4.444 0 50 EIAA CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)cc1 1062834 PJUHEBLSRYDPFV-UHFFFAOYSA-N 335.494 4.334 0 50 EIAA CO[C@@](F)(C(=O)Nc1cccc(Nc2ccccc2)c1)C(F)(F)F 2192060 OQKYCBDKBXPKBF-HNNXBMFYSA-N 342.292 4.243 0 50 EIAA C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCCc1ccccc1 2738360 XRBFODXBZXCQRR-OAHLLOKOSA-N 331.843 4.246 0 50 EIAA CCCOc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1 3464540 BMOSZJPAEIZPFD-UHFFFAOYSA-N 333.771 4.079 0 50 EIAA CCc1cccc2c(C(C)=O)cn(CC(=O)Nc3cccc(C)c3)c12 4757822 JNTRCQMAIOQTKI-UHFFFAOYSA-N 334.419 4.353 0 50 EIAA CCOc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 4843233 WJYIDGXCYCXILL-UHFFFAOYSA-N 326.179 4.350 0 50 EIAA O=C(Nc1ccccc1Nc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 5800116 QNLYWGYEWJQRBR-JKSUJKDBSA-N 336.391 4.036 0 50 EIAA Cc1nn2c(-c3ccc4c(c3)OCO4)ccnc2c1-c1ccccc1 6662129 VKMXVJQQDOQYET-UHFFFAOYSA-N 329.359 4.100 0 50 EIAA CSc1ncc(Cl)c(C(=O)Oc2cc(C)c(Cl)c(C)c2)n1 6697369 CYAJEWQULUNUQL-UHFFFAOYSA-N 343.235 4.341 0 50 EIAA Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1-c1nc2ccccc2s1 8817721 FSNNTQWGVTYNTP-UHFFFAOYSA-N 337.404 4.381 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(CC)cc2)c1 9230874 IJTKSUMQNZWRRB-AWEZNQCLSA-N 340.423 4.004 0 50 EIAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C[C@@H]1CC=CCC1 12301619 MHQJBGLWYMNCRC-HXUWFJFHSA-N 344.518 4.368 0 50 EIAA CCCCc1nc(Cl)c(CN2CCC(c3n[nH]cc3CC)CC2)[nH]1 77406848 PUKFNZHYGJSKSR-UHFFFAOYSA-N 349.910 4.071 0 50 EIAA COc1ccc(OC)c([C@@H]2CCN(c3ccc4ccccc4n3)C2)c1 77565799 GMRJISLETRTRME-MRXNPFEDSA-N 334.419 4.246 0 50 EIAA CCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 91304397 TVGZKAMMYWXSDF-QFIPXVFZSA-N 349.522 4.173 0 50 EIAA Cc1ccc([C@@H]2CN(Cc3ccc(F)cc3Cl)C[C@H]2N(C)C)cc1 95497148 IJTXOTJFNVHVAI-AZUAARDMSA-N 346.877 4.317 0 50 EIAA Cc1cc(F)cc2[nH]c(C(=O)N3C[C@@H]4CCC(=O)c5cccc3c54)cc12 183809072 DZXOWKZGXJKKTP-LBPRGKRZSA-N 348.377 4.336 0 50 EIAA C[C@H](NC(=O)NC1CCOCC1)c1ccc(Cl)c2ccccc12 185518818 HHOAZWRNRALIIF-LBPRGKRZSA-N 332.831 4.032 0 50 EIAA O=C(Cc1ccc(Cl)s1)NC[C@H]1CCCO[C@@H]1c1ccccc1 193499299 QFFQWRMLZQDMNT-RDTXWAMCSA-N 349.883 4.228 0 50 EIAA Cc1cccc(Oc2ccc(NC(=O)Cc3c(C)n[nH]c3C)cc2)c1 193503950 YNRKOTPNRQBFCH-UHFFFAOYSA-N 335.407 4.308 0 50 EIAA Oc1cn(-c2ccc(F)cc2)nc1-c1ccc(Br)cc1 215850644 DGIFZUIWUVRIGZ-UHFFFAOYSA-N 333.160 4.147 0 50 EIAA CCc1nc(C)c(CNC(=O)CCCc2c[nH]c3ccccc23)s1 219533837 OTBLFNQCCVSSKY-UHFFFAOYSA-N 341.480 4.134 0 50 EIAA CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(OC(F)F)cc2)C1 221902008 RUCICVQYYCWHHY-QKNZJWGPSA-N 345.455 4.018 0 50 EIAA O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl 263639941 PFOLWORQHVFIOV-UHFFFAOYSA-N 349.139 4.337 0 50 EIAA COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)c1ncoc1C1CC1 297851731 SAQSBEZOYYWHCM-CZUORRHYSA-N 340.423 4.317 0 50 EIAA COc1ccccc1[C@@H]1C[C@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 328587259 QPVDKGJDSUFTAM-MPTYRVRUSA-N 342.439 4.268 0 50 EIAA CCOCc1nc(C)c(-c2nc(-c3ccsc3Cl)no2)s1 420500999 GMKPKUCHDOJOEY-UHFFFAOYSA-N 341.845 4.420 0 50 EIAA Cc1cc(-c2ncccc2NC(=O)Cn2cc3ccccc3n2)cs1 436871488 NMFZRKPCFREVHI-UHFFFAOYSA-N 348.431 4.107 0 50 EIAA c1coc(-c2cc(CN[C@H]3CC4(CCC4)Oc4ccccc43)no2)c1 932218208 REPHTMQYVJWGML-INIZCTEOSA-N 336.391 4.471 0 50 EIAA CC(=O)c1cc(CN2CCc3c([nH]c4ccccc34)[C@H]2C(C)C)n(C)c1 952984051 YTTWWUDAYYQZNC-JOCHJYFZSA-N 349.478 4.464 0 50 EIAA Cc1ccc2c(C)cc(N3CCC[C@H](CCC(=O)O)C3)nc2c1C 1704309383 RSHWPDRPMTZOGW-MRXNPFEDSA-N 326.440 4.241 0 50 EIAA O=C(c1cccc(-n2cccc2)c1)N1CC2(CC2)Oc2ccccc21 1775997213 YCKIAWDAPARCKS-UHFFFAOYSA-N 330.387 4.049 0 50 EIAA C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccc2cc[nH]c12 1875348929 HIRBARWQKBFZSV-LBPRGKRZSA-N 348.381 4.188 0 50 EIAA CN(C)c1nc2sc(C(=O)NC[C@H]3CCCC4(CC4)C3)cc2s1 2325823803 FMVFXYYVHMHONX-NSHDSACASA-N 349.525 4.124 0 50 EIAA COc1cc(OC)cc(C(=O)Nc2ccc(OC)c3ccccc23)c1 120968 FWCIXCGOQJVVHX-UHFFFAOYSA-N 337.375 4.118 0 50 EIAA CSc1nc(-c2ccccc2)c2cc3c(cc2[n+]1C(C)C)OCO3 398933 TYGRKOTZPQREPJ-UHFFFAOYSA-N 339.440 4.221 0 50 EIAA C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 4422829 DWQQRTJQHUWCPX-KRWDZBQOSA-N 331.415 4.041 0 50 EIAA biogenic CCCc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 4834714 ZAJYSNMYGLUQJX-UHFFFAOYSA-N 341.889 4.265 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 8023185 QHIAQCCEKSRZBJ-UHFFFAOYSA-N 336.479 4.255 0 50 EIAA Cc1ccc(NC(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 8738686 ZPPDIZKTDFIVBQ-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA CN(C)CCCn1ccc(-c2cccc(-c3ncccc3Cl)c2)n1 20109779 YTERBXLKMOKJLL-UHFFFAOYSA-N 340.858 4.217 0 50 EIAA Cc1ccnc(C[C@@H](C)N(C)Cc2c(C)nn(C(C)(C)C)c2C)c1 55385172 IGFAFWUVQSDLJG-OAHLLOKOSA-N 328.504 4.021 0 50 EIAA CCOc1ccc(NC(=O)N(CC)[C@H]2CCOC(C)(C)C2)c(F)c1 97360252 MLKPMCGDTFIHMY-ZDUSSCGKSA-N 338.423 4.036 0 50 EIAA c1ccc(CN(Cc2nc3ccccc3o2)CC2CCOCC2)cc1 111261167 KHKFRLKXJMQQEI-UHFFFAOYSA-N 336.435 4.257 0 50 EIAA Cc1ccc(-c2cccc(CN[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 170612748 SDWBTUDEBIWZFW-QFIPXVFZSA-N 345.442 4.448 0 50 EIAA Cc1nc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)cs1 174956204 JZDSPHVSWVKPEW-UHFFFAOYSA-N 349.459 4.267 0 50 EIAA C/C=C/[C@H]1OC[C@@]2(COC(=O)NCCCC)[C@H](C)C=C(C)[C@H]1[C@H]2C 252694442 KQNWOQWLNRLDSK-XATBEGJYSA-N 335.488 4.322 0 50 EIAA biogenic Cc1ccccc1[C@@H](CC(F)(F)F)NC1CCC(C(=O)O)CC1 263431711 SJTMAZOFLWQYEO-SSDMNJCBSA-N 329.362 4.222 0 50 EIAA Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@@H]3C3CC3)cc2F)n1 368983446 IUGWLBCQMXYATA-QGZVFWFLSA-N 342.418 4.035 0 50 EIAA Cc1cccnc1[C@H]1CCC[C@H](Nc2ccc3c(c2)NC(=O)CC3)C1 374187583 LUYWSCGPXFQPHP-IRXDYDNUSA-N 335.451 4.413 0 50 EIAA O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl 485411626 IHKGSGHYTCLXNI-UHFFFAOYSA-N 338.162 4.072 0 50 EIAA Cc1noc(C)c1-c1ccc(OC(=O)CCCc2cccnc2)cc1 850987788 BCPDNWQVRCAATK-UHFFFAOYSA-N 336.391 4.282 0 50 EIAA CCc1ccc(-c2noc([C@H]3CCCN3C(=O)C(C)(C)C)n2)cc1 952880559 BWYVJSLLNIMQBC-OAHLLOKOSA-N 327.428 4.009 0 50 EIAA Cc1cccc([C@@H](CN)C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 1875316614 CKKPYIYUUYXTIA-IEBWSBKVSA-N 342.870 4.054 0 50 EIAA c1ncc([C@@]23CC[C@@H](C2)[C@H]3c2nc([C@H]3CCCCS3)no2)s1 1875338631 FFRKEDLIBWAGFP-NGOBNIPXSA-N 333.482 4.320 0 50 EIAA CC(C)c1ccc(C[C@@H]2CCN(c3nc4cnccc4n3C)C2)cc1 2325854572 KONAQDZPPOJPLB-KRWDZBQOSA-N 334.467 4.161 0 50 EIAA COc1ccccc1Nc1ncnc2ccc(Br)cc12 37962 DQIMOXIZLFEENS-UHFFFAOYSA-N 330.185 4.145 0 50 EIAA CSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)Nc1ccccc1-2 86656 LQOCHDSDUKJFDW-AWEZNQCLSA-N 342.449 4.134 0 50 EIAA COc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 116556 PSNRACTVUUDUCH-UHFFFAOYSA-N 333.387 4.380 0 50 EIAA COc1cc(CNc2ccc(Br)cc2C)cc(OC)c1 293260 HBXCOXDFXRCEKL-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA O=Cc1cc(Br)ccc1OCc1ccccc1Cl 453606 KSQWNQYGMMPIHG-UHFFFAOYSA-N 325.589 4.494 0 50 EIAA Cc1ccc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)cc1C 2796382 ZTGCRYFCGOABRX-GFCCVEGCSA-N 339.361 4.102 0 50 EIAA Cc1cccc(-c2nnc(-c3cccc(NC(=O)C(F)(F)F)c3)o2)c1 4841880 WUWPIWUNUFDNBS-UHFFFAOYSA-N 347.296 4.213 0 50 EIAA Cc1cc2nc(SCC(=O)N[C@H](C)c3ccccc3)[nH]c2cc1C 5065668 UBOFJUBPHYWDCB-CQSZACIVSA-N 339.464 4.149 0 50 EIAA N=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 5102069 SDLBXIXTAMAVRD-SDQBBNPISA-N 339.203 4.392 0 50 EIAA COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 6946042 QSUAFZGUSOOYHO-JTQLQIEISA-N 340.206 4.408 0 50 EIAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 8614863 FRQMUZJSZHZSGN-KGESJLRISA-N 344.495 4.084 0 50 EIAA Cc1ccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C2CC2)cc1 16649873 LJABWEUJHOARBV-UHFFFAOYSA-N 343.390 4.170 0 50 EIAA COc1cc(NC(=S)Nc2ccc3c(c2)CCC3)cc(OC)c1 17067279 JMFOJEARJVRPOX-UHFFFAOYSA-N 328.437 4.001 0 50 EIAA CC[C@H](O)CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67691144 BXGINNRSQKCSJM-IBGZPJMESA-N 348.446 4.138 0 50 EIAA Cc1nc(C2CC2)ncc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 82120556 ZZYSHLJFSULHOA-GOSISDBHSA-N 339.414 4.169 0 50 EIAA C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 91643688 NPHJFAGNEBQPJS-LBPRGKRZSA-N 341.798 4.223 0 50 EIAA CSc1cccc(N(C)C(=O)CCc2ncc(C(C)(C)C)o2)c1 193574803 HGKIZPBEGVNDNF-UHFFFAOYSA-N 332.469 4.290 0 50 EIAA O=C(c1coc(CC2CC2)n1)N(CC1CCCCC1)c1ccccn1 193801103 LQQQCVWDLWNNJW-UHFFFAOYSA-N 339.439 4.249 0 50 EIAA Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 298951052 KONQNSVEXCHEAL-UHFFFAOYSA-N 341.842 4.478 0 50 EIAA C[C@H]1CN(C(=O)c2cccc(-c3ccc4occc4c3)c2)C[C@@H](C)O1 426620247 OOAJSAWMDMBICO-GASCZTMLSA-N 335.403 4.349 0 50 EIAA CC(C)c1ccc(-c2nc(CN3C[C@@H](CN)C[C@H]3C)cs2)cc1 442768443 OFJUTFQIISWESL-HUUCEWRRSA-N 329.513 4.103 0 50 EIAA CCN(C(=O)c1cncc(C(F)(F)F)c1)[C@@H]1CCCc2cccnc21 888093175 IQMXGVGQDNHXFJ-OAHLLOKOSA-N 349.356 4.035 0 50 EIAA CN(CC1CCC1)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 1338252927 MFBLOSWAKHAMOE-UHFFFAOYSA-N 345.446 4.411 0 50 EIAA Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2C)c1 70637 VOWSTAALHHOXLB-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA COc1ccc(CSCC(=O)Nc2ccccc2SC)cc1 382743 FRAJQPFWPDNJDV-UHFFFAOYSA-N 333.478 4.289 0 50 EIAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N(C)C)c2ccccc12 1170342 CKKLRDOBTWMHHT-HNNXBMFYSA-N 334.419 4.312 0 50 EIAA COC(C(=O)Nc1ccc(F)cc1)(c1ccccc1)c1ccccc1 2749485 KXCNBPQXDFBRDD-UHFFFAOYSA-N 335.378 4.354 0 50 EIAA O=C(NCc1ccco1)c1ccc(-c2ccccc2C(F)(F)F)o1 2878035 ITLGLDLDUVUPTN-UHFFFAOYSA-N 335.281 4.488 0 50 EIAA C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 3907672 DREHREGIKWPENN-GFCCVEGCSA-N 326.783 4.486 0 50 EIAA CC1(C)Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 5500052 RWOGTWULDJEHBL-CYBMUJFWSA-N 347.212 4.322 0 50 EIAA O=CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 8698431 ZIJJNHMJIHJFSI-UHFFFAOYSA-N 346.382 4.226 0 50 EIAA Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1 10460624 WVRPQMSNKTZSDB-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccccc1 10773352 MZMYSVYROXVAJP-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA Nc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 33996907 RCJCNSQHHMJLRL-UHFFFAOYSA-N 325.415 4.306 0 50 EIAA CCCO[C@@H]1CCCN(C(=O)Nc2cc(C)c(Cl)cc2OC)C1 67529079 YVVCKQNMPPWGMF-CYBMUJFWSA-N 340.851 4.080 0 50 EIAA O=c1oc2cc(Cl)c(Cl)cc2n1CCCN1CCCCCC1 71769282 COZAXICZKXNFSV-UHFFFAOYSA-N 343.254 4.167 0 50 EIAA COc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3ccccn3)oc2c1 91587141 PFYAPKLYWUVDRW-QGZVFWFLSA-N 336.391 4.122 0 50 EIAA Cc1nnc([C@H](C)Sc2nnc(C)n2[C@H]2CCC[C@@H](C)C2)s1 241926491 UGOZZNSPLGEZMR-NRUUGDAUSA-N 337.518 4.351 0 50 EIAA CC(C)[C@@H]1C=CCN1C(=O)c1ccc(-c2ccc(Cl)cn2)cc1 299757566 HCSQJHNCCYKRSG-SFHVURJKSA-N 326.827 4.439 0 50 EIAA Cc1ccc2cc(CNCCc3ccc(F)cc3)c(N(C)C)nc2c1 299758140 DFUMCKABONKBLN-UHFFFAOYSA-N 337.442 4.081 0 50 EIAA FC(F)(F)c1cc(Br)cnc1OCc1ccccc1 309655079 IPPBAERYUXSEFU-UHFFFAOYSA-N 332.119 4.442 0 50 EIAA Cc1cc(NC(=O)c2cc(O)nc(Cl)c2)cc(C(F)(F)F)c1 1196181722 JOHXUTZPHVWDJA-UHFFFAOYSA-N 330.693 4.020 0 50 EIAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(=O)Nc1cnn(C(C)C)c1 1529172097 IGRREIAHXQAJFP-INIZCTEOSA-N 336.439 4.312 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H](C2CC2)O1 1857711850 GRPORWCGHWDBJT-VQIMIIECSA-N 327.424 4.243 0 50 EIAA O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(F)cc1 172807 RYUQJGLSSXOAMM-UHFFFAOYSA-N 340.379 4.392 0 50 EIAA O[C@@H]1CCCC[C@H]1C1(NC(=S)Nc2ccccc2)CCCCC1 267941 PTBLMHUNNYYRFT-IAGOWNOFSA-N 332.513 4.227 0 50 EIAA CC(C)(C)c1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1 275651 BXJMANFSCOASFD-UHFFFAOYSA-N 346.477 4.395 0 50 EIAA CC(=O)Nc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1 311124 NHGDSDMVXMEAQP-UHFFFAOYSA-N 334.404 4.083 0 50 EIAA CCOc1ccc(-c2nn3c(-c4ccc(C)cc4)nnc3s2)cc1 383168 SPASDMRFEORSJG-UHFFFAOYSA-N 336.420 4.227 0 50 EIAA O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(Cl)cc1 408183 DNWRHDZZBAPKNA-UHFFFAOYSA-N 344.823 4.289 0 50 EIAA O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 422569 IVIMGPLKOOLYCD-UHFFFAOYSA-N 330.796 4.365 0 50 EIAA O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccs1 451394 GSFWZWWFEPUGLQ-UHFFFAOYSA-N 331.249 4.182 0 50 EIAA CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2555374 AXGUBXVWZBFQGA-UHFFFAOYSA-N 339.218 4.181 0 50 EIAA in-vitro CCC(=O)Oc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 4869844 FKQNAYHBLUCFIO-UHFFFAOYSA-N 337.297 4.273 0 50 EIAA CC(=O)Nc1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1 8567668 ZNVSLGNGHMWDNG-UHFFFAOYSA-N 340.423 4.322 0 50 EIAA Cc1sc(NC(=O)c2cc(Cl)cc(Cl)c2)c(C(N)=O)c1C 10373975 RYXOVPQGOLMERK-UHFFFAOYSA-N 343.235 4.023 0 50 EIAA Cc1cc(Cl)cc(Cl)c1OCCCN1C[C@H](C)O[C@@H](C)C1 20167299 PSZZCODPUZXXGE-STQMWFEESA-N 332.271 4.180 0 50 EIAA CC(C)=CC(=O)N1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67895474 VZLMMHMVYNIONF-UHFFFAOYSA-N 343.448 4.116 0 50 EIAA O=C(CCc1cc(Cl)no1)N1CCCC[C@H]1c1ccc(F)cc1 77287278 DLTXIMQBIFAQKW-HNNXBMFYSA-N 336.794 4.154 0 50 EIAA Cc1nc(C)c(CC(=O)N(Cc2ccncc2)C2CCCCC2)s1 97499560 OIRDOFLDWKGBBM-UHFFFAOYSA-N 343.496 4.059 0 50 EIAA CC(C)(C(=O)Nc1ccc(N2CCCCC2)cn1)c1cccs1 115068711 GRKPNPXCEXHEIC-UHFFFAOYSA-N 329.469 4.050 0 50 EIAA Cc1coc(-c2cccc(NC(=O)N3CC[C@H]4CCCC[C@H]43)c2)n1 158304929 ZWNYAPZMIZGXTF-RHSMWYFYSA-N 325.412 4.446 0 50 EIAA COc1cccc([C@@H](NCCCOc2ccccc2)c2ccccn2)c1 225387142 AOMHIHOFRRQREH-JOCHJYFZSA-N 348.446 4.238 0 50 EIAA Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)c(C)c1 239328973 JYCRFHOUJNWOOZ-HNBVOPMISA-N 335.447 4.319 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)n1 257365270 ZJRTUZYOHIHLBJ-ULQDDVLXSA-N 326.465 4.309 0 50 EIAA Cc1cc(-c2ccc(C(=O)N3CCCCCCC3)cc2)c(O)nc1C 534588174 NPCOBKQGNGVQPH-UHFFFAOYSA-N 338.451 4.477 0 50 EIAA Cc1ncc(C(=O)Oc2ccc(-c3cscn3)cc2)c(C2CC2)n1 1344519118 QEZLAVXYUJYLMT-UHFFFAOYSA-N 337.404 4.005 0 50 EIAA Cc1ccc2c(NC[C@@H]3CC(=O)N(C4CCCC4)C3)ccnc2c1C 1529103649 GFFVNPODNPDFJD-INIZCTEOSA-N 337.467 4.055 0 50 EIAA CC(C)(C)c1ncc(CNc2ccccc2N=S(C)(C)=O)s1 1775990398 FOSIRKLAWUEVQM-UHFFFAOYSA-N 337.514 4.412 0 50 EIAA CC[C@H](c1ncccc1C)n1ccnc1-c1ccnn1-c1ccccc1 1857690783 SSNSSIFXFCBKBY-GOSISDBHSA-N 343.434 4.439 0 50 EIAA O=C(O)[C@H]1CCC2(CCC2)N(Cc2cnc(-c3ccccc3)s2)C1 2325798356 UVUGWGNRDFSZCS-HNNXBMFYSA-N 342.464 4.029 0 50 EIAA CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl 1402 VMZUTJCNQWMAGF-UHFFFAOYSA-N 342.855 4.204 0 50 EIAA biogenic,world Cc1ccccc1CSc1nc2c([nH]c3ccccc32)c(=O)n1C 213995 SWNBJELAZWFUEX-UHFFFAOYSA-N 335.432 4.016 0 50 EIAA Cc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 291595 GCDOUWBECPFKDT-HNNXBMFYSA-N 341.461 4.319 0 50 EIAA O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1F 328665 NBQHOSAFLRRYCX-UHFFFAOYSA-N 349.321 4.388 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 614771 UCAXLYCZHBTLOL-UHFFFAOYSA-N 347.383 4.228 0 50 EIAA O=C(COc1ccc2ccc(=O)oc2c1)c1ccc2ccccc2c1 2995638 PMWQLEFKEHXJHB-UHFFFAOYSA-N 330.339 4.208 0 50 EIAA biogenic CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1C 4884469 ITIMGUDVHUHJFD-UHFFFAOYSA-N 334.419 4.006 0 50 EIAA COc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 4955907 QMVSIWSXZWDYER-GJZGRUSLSA-N 336.218 4.221 0 50 EIAA COc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1OC 13820326 VGNFEIWQVRCNAJ-CQSZACIVSA-N 344.480 4.012 0 50 EIAA CC[C@@H](C)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(O)c1 15768854 ONAJLRGEMFPPIK-GFCCVEGCSA-N 329.396 4.175 0 50 EIAA c1ccc(CNCCN(Cc2ccccc2)Cc2ccccc2)cc1 19366740 HMOBWUSEOFAAAA-UHFFFAOYSA-N 330.475 4.479 0 50 EIAA C[C@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)c1cccnc1 29550747 NPQAWCNDVWTXAM-XQBPLPMBSA-N 338.495 4.361 0 50 EIAA COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccccc1C 36620770 AMNKLXMYZAGIFX-OAHLLOKOSA-N 344.436 4.212 0 50 EIAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccsc2)cc1 77298627 JSRNQUXICODFQW-SFHVURJKSA-N 328.481 4.177 0 50 EIAA Cc1c(Cl)cc(C(=O)N(C)CCC[C@H]2CCCO2)cc1Cl 92019518 DTRLNVGPIZDQKY-ZDUSSCGKSA-N 330.255 4.333 0 50 EIAA O=C(O)CCCN1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 132574295 LUQGEJMOFJWQSU-GOSISDBHSA-N 329.827 4.304 0 50 EIAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2c2cccs2)cn1 189647178 WLXYWCXKZFCQPY-SWLSCSKDSA-N 330.457 4.285 0 50 EIAA CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3cc[nH]c3c2)cc1 194236455 OQUNJUXBVUTBQS-UHFFFAOYSA-N 338.367 4.380 0 50 EIAA Cc1nc2cc(NC(=O)CCSCc3ccccc3)ccc2o1 225400834 UNUWMILWAXCYSL-UHFFFAOYSA-N 326.421 4.398 0 50 EIAA O=C1[C@H]2C[C@H](c3ccccc3)CC[C@H]2C(=O)N1c1ccc(Cl)cc1 226393285 ZHROHXUSNRXPSJ-OLMNPRSZSA-N 339.822 4.413 0 50 EIAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1(C)C 239782420 COKKROBPINNDRC-XDQVBPFNSA-N 335.410 4.017 0 50 EIAA O=C(c1cccc([C@H]2CCOC2)c1)N(c1ccccn1)C1CCCC1 270640009 KCQJHBAMJNRJHF-SFHVURJKSA-N 336.435 4.175 0 50 EIAA C[C@H](c1cccc(-c2ccc3c(c2)CN(C)C(=O)N3)c1)N1CCCC1 534587723 CPWSTSPHMWNPRA-OAHLLOKOSA-N 335.451 4.488 0 50 EIAA Cc1ccc(-c2ccc(C(=O)NCCCc3c(C)noc3C)cc2)o1 825197872 UMNOGIIUSQFUNX-UHFFFAOYSA-N 338.407 4.222 0 50 EIAA CC[C@@]1(C)OC(=O)N(Cc2ccc(Cl)c(C(F)(F)F)c2)C1=O 853725678 RRMZQRBBNFQKDP-CYBMUJFWSA-N 335.709 4.006 0 50 EIAA Cc1cc(C(=O)Nc2cnn(C(C)C)c2)c(NC(=O)C(C)(C)C)s1 1506401293 PWYQVYJZZXUZDI-UHFFFAOYSA-N 348.472 4.071 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(Cc1cccc(OC(F)(F)F)c1)C2 1704300034 SUFGGIGUUWKTND-IAGOWNOFSA-N 343.389 4.366 0 50 EIAA Cc1c(F)cccc1C(=O)Nc1ccc(-n2ccnc2C)c(F)c1 1875342286 JAYDFWDDEQENDW-UHFFFAOYSA-N 327.334 4.020 0 50 EIAA CCCc1nc([C@H]2Cc3ccncc3C2)n(-c2c(C)cc(C)cc2C)n1 1875348028 GFVPCBNRILTYHN-SFHVURJKSA-N 346.478 4.422 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 74869 CVPPZHNHAZQCIE-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA Cc1ccc(C)c(N2CCN(C(=S)Nc3ccccc3C)CC2)c1 459120 WYAQQKNWNSKEMV-UHFFFAOYSA-N 339.508 4.131 0 50 EIAA COc1ccccc1Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 463406 WBVUWWZPLHVZDN-UHFFFAOYSA-N 345.354 4.288 0 50 EIAA O=C(c1ccccc1F)N(Cc1cccs1)c1ccc(O)cc1 782904 KCNGWORSDMUOHB-UHFFFAOYSA-N 327.380 4.440 0 50 EIAA CCCc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3)no2)cc1 1213192 UKJPJXMOKJAAOF-UHFFFAOYSA-N 338.407 4.297 0 50 EIAA COc1ccccc1-c1cc(C(F)(F)F)n2ncc(Cl)c2n1 2770822 YWVCWSZEFQVQOY-UHFFFAOYSA-N 327.693 4.077 0 50 EIAA O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](C(F)(F)F)C1 3893089 YXECZWSOBWZBCL-QMMMGPOBSA-N 326.145 4.408 0 50 EIAA CSc1ccc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 4745053 UJMGAFPUWWQSRS-SFHVURJKSA-N 346.540 4.023 0 50 EIAA COc1ccc(C(c2ccc(OC)cc2)n2nc3ccccc3n2)cc1 5359539 PGOFFTQMRWTEPU-UHFFFAOYSA-N 345.402 4.086 0 50 EIAA Cc1cc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)c2c(C)noc2n1 13642171 OLGRQDBTJJHWMD-CYBMUJFWSA-N 337.423 4.454 0 50 EIAA COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 35476502 IFXNLFBKUIPHHU-OAHLLOKOSA-N 344.436 4.212 0 50 EIAA Nc1c(Br)c(Cl)c(F)c(Cl)c1Br 36532706 QNZIDLFPKIGVCV-UHFFFAOYSA-N 337.801 4.240 0 50 EIAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3cc(N)ncn3)cc12 71763478 YRTRJQJWADTSCF-UHFFFAOYSA-N 347.397 4.267 0 50 EIAA CCc1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)on1 77505921 FKETYYKSMOQYHJ-UHFFFAOYSA-N 336.391 4.302 0 50 EIAA CN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(SC(F)(F)F)c1 95500714 IJMSATNDXZDUMF-LBPRGKRZSA-N 348.390 4.331 0 50 EIAA CC(=O)N1CC[C@H](Nc2ccnc3ccccc23)c2ccc(F)cc2C1 185251310 IDDAEFXFKNYPRF-NRFANRHFSA-N 349.409 4.279 0 50 EIAA Cc1cc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)co1 189063449 SFXNOPNTPLDGLP-UHFFFAOYSA-N 335.285 4.045 0 50 EIAA CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCc2cnccn2)cc1 253428729 LBXWNAVTGDQORK-FQEVSTJZSA-N 337.467 4.286 0 50 EIAA O=C(O)[C@H]1CC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)CC1 262992582 VQYSTVCRLNXZQW-SHTZXODSSA-N 339.391 4.308 0 50 EIAA Cc1ccc(CN(C(=O)Nc2cccnc2O)C2CCCC2)cc1 299793548 HDGIZNSHOAVLHW-UHFFFAOYSA-N 325.412 4.072 0 50 EIAA COc1ccc(C2(c3nc([C@H]4CCCO4)no3)CC3(CCC3)C2)cc1 375686561 DELVZLRYPPUJTA-MRXNPFEDSA-N 340.423 4.180 0 50 EIAA Cc1cccc2c(CCNC(=O)Nc3cccc4ccn(C)c34)c[nH]c12 471901086 SMNPWMKXXSFXNI-UHFFFAOYSA-N 346.434 4.332 0 50 EIAA C[C@H](NC[C@@H](CCO)c1ccccc1)c1cc(-c2ccccc2)no1 863982493 PDQUMURNBHKMTF-QFBILLFUSA-N 336.435 4.158 0 50 EIAA O=C(Nc1cccc(-n2cccn2)c1)c1cc2c(Cl)cccc2[nH]1 952860359 NGKGNDVHZWWIJN-UHFFFAOYSA-N 336.782 4.259 0 50 EIAA Fc1ccccc1C1(CNC2CSCCSC2)CCCC1 1506398928 HRUVJNPGVAHKPC-UHFFFAOYSA-N 325.518 4.076 0 50 EIAA CCCC[C@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@@H](C2CC2)O1 1615723600 IPNLTWMGBNNKIP-HOCLYGCPSA-N 337.410 4.083 0 50 EIAA O[C@@H]1CCC[C@H](n2ccnc2-c2ccc3cc(Cl)ccc3n2)C1 1857672704 XNXJPPPRVQZTQV-LSDHHAIUSA-N 327.815 4.228 0 50 EIAA COc1ccc2c(N3CCCC[C@@H]([C@H]4CCOC4)C3)cc(C)nc2c1 1875408472 XKEZSXMGKTVBPF-SJORKVTESA-N 340.467 4.195 0 50 EIAA C[C@H](c1ccc(-c2cnc3cc(F)ccc3c2)cc1)N1CCOCC1 2100482446 ZZSXYTFLKBDJAY-OAHLLOKOSA-N 336.410 4.434 0 50 EIAA C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1 161695 ILRBYLNWMLZZKG-GFCCVEGCSA-N 329.400 4.356 0 50 EIAA CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C(=O)OC)cc1 505689 VQMUEINBGKKCTI-CQSZACIVSA-N 341.407 4.004 0 50 EIAA COc1cccc(NC(=O)Nc2nnc(C3CCCCC3)s2)c1 1297892 HIEOMPJGIZIDBK-UHFFFAOYSA-N 332.429 4.238 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 2979386 HWHGFCODKQCZQM-UHFFFAOYSA-N 342.464 4.165 0 50 EIAA S=C(NCc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 5049776 PGEUPHCPTIVPMT-UHFFFAOYSA-N 334.916 4.273 0 50 EIAA C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c[nH]1)c1ccccc1 5060354 DAOBRQIMNHBMOL-CQSZACIVSA-N 337.448 4.046 0 50 EIAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1cccc(Cl)c1 16649393 MIANPKRKEADPLK-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA C[C@H](NCc1cccc(OCc2ccccc2)c1)[C@@H](O)c1ccccc1 19871859 PYOXLNRAYGCQDI-FDDCHVKYSA-N 347.458 4.477 0 50 EIAA O=c1c2ccc(-c3cc4ccccc4o3)nc2[nH]n1-c1ccccc1 31818910 DOBUHJBHEPUISJ-UHFFFAOYSA-N 327.343 4.127 0 50 EIAA CCOc1cc(CN2CCCC2)ccc1Oc1cnc2ccccc2n1 67490349 ZPVSXHHUHWKNQT-UHFFFAOYSA-N 349.434 4.417 0 50 EIAA COc1ccc(-c2ccnc3c(-c4ccccc4)cnn23)cc1OC 67630651 BLBIQGOAZNMCMU-UHFFFAOYSA-N 331.375 4.081 0 50 EIAA C[C@@H](c1cncs1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67842792 NLUGHSNEJUWNRD-AWEZNQCLSA-N 349.463 4.046 0 50 EIAA CC(C)c1cc(C2CCN(Cc3cccn3-c3cccnc3)CC2)n[nH]1 67908778 BSUJNFQOUUKTSR-UHFFFAOYSA-N 349.482 4.098 0 50 EIAA Fc1ccccc1CN1CCC[C@H](c2nccn2CC2CCC2)C1 95366436 MJEGEYCIPOSDFE-SFHVURJKSA-N 327.447 4.202 0 50 EIAA Cc1nc2ccc(NC(=O)NCc3cc(CC(C)C)no3)cc2s1 95528749 WAOWFVLCRZXARM-UHFFFAOYSA-N 344.440 4.113 0 50 EIAA Cc1cccc([C@H](NC(=O)Nc2ccncc2C)c2ccccn2)c1 121749905 MRPXHZBRDFPDAZ-IBGZPJMESA-N 332.407 4.005 0 50 EIAA Cc1csc([C@H](C)N(C)C(=O)c2c(C)c3cc(F)ccc3n2C)n1 215371200 PCZUTBQMYOEBCA-LBPRGKRZSA-N 345.443 4.224 0 50 EIAA COCCN(Cc1ccc(C)s1)C(=O)c1[nH]c2ccccc2c1C 216448226 GSZPLULDYOAYII-UHFFFAOYSA-N 342.464 4.135 0 50 EIAA Cc1ccc(-c2ccc(Cl)cc2NC(=O)Cc2cccnc2)o1 253432373 YBVOPGJUGPNMRV-UHFFFAOYSA-N 326.783 4.485 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257346360 YSBQFDHILMUWPK-BRLQAUDHSA-N 332.484 4.387 0 50 EIAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@@](C)(O)C[C@]12C 257357094 LZCICCXBBYHFCF-AKORGSRHSA-N 346.511 4.164 0 50 EIAA O=C(O)CCOc1cccc(/C=C(\Cl)c2nc3ccccc3o2)c1 746684463 QHENAUMJSHBZHS-KAMYIIQDSA-N 343.766 4.418 0 50 EIAA CC(C)(C)[C@@H](Cn1ccnc1)NCc1ccc2cc(Cl)ccc2n1 952868342 LAPLRUFBNBUZOY-GOSISDBHSA-N 342.874 4.289 0 50 EIAA O=c1ccc(-c2ccc(F)cc2)nn1C[C@@H]1CCC[C@@H]1C(F)(F)F 2325772446 VJQWMXOEJFWENS-JSGCOSHPSA-N 340.320 4.028 0 50 EIAA O=C(NCCCc1cccnc1)[C@@H]1C[C@H]1c1c(Cl)cccc1Cl 2325781337 GHWBKZROKFTPEN-ZIAGYGMSSA-N 349.261 4.241 0 50 EIAA COC(=O)c1c(NC(=O)C(F)(F)F)sc(C)c1-c1ccccc1 371282 SUYDCQKDEFYJIF-UHFFFAOYSA-N 343.326 4.011 0 50 EIAA CCCCCc1nnc(NC(=O)CCCOc2ccccc2)s1 2852868 VCEAQKNWXVLDOK-UHFFFAOYSA-N 333.457 4.069 0 50 EIAA O=C(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CCCCC1 2880903 JHQPNMZKWLVODC-UHFFFAOYSA-N 333.391 4.030 0 50 EIAA CCc1nnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1 4538951 MTMPERLLLMDHIZ-UHFFFAOYSA-N 345.449 4.238 0 50 EIAA CC(=O)Nc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 4841549 OWIXZFANNSTTHA-LBPRGKRZSA-N 346.814 4.013 0 50 EIAA O=P(Oc1ccccc1)(Oc1ccccc1)N1CCSCC1 5737642 UUCGOVIOOXXCEM-UHFFFAOYSA-N 335.365 4.301 0 50 EIAA CCn1ccnc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1C 12316708 DCUKYUAMQHXSIV-HXUWFJFHSA-N 347.462 4.050 0 50 EIAA Cc1ccc2c(C)c(-c3nc(CC4CCN(C)CC4)no3)oc2c1C 77376416 NPOWAQLVAIWOLJ-UHFFFAOYSA-N 339.439 4.292 0 50 EIAA O=C1CCC2(CCN(CC3CCCC3)CC2)CN1Cc1ccccc1 91526149 RKSFJWCFPXCOLY-UHFFFAOYSA-N 340.511 4.081 0 50 EIAA C[C@H](NC(=O)C1CCC(n2cccc2)CC1)c1csc(C2CC2)n1 169985225 FSYTXXAYMGAEAA-HLIUYOAVSA-N 343.496 4.431 0 50 EIAA Cc1cc(C(=O)N2CCCCC[C@H]2CC(C)C)nc(C(F)(F)F)n1 188209244 BKCDQVQSUKNOPW-ZDUSSCGKSA-N 343.393 4.235 0 50 EIAA O=C(c1nc2ccccn2c1F)N(Cc1ccsc1)C1CCCC1 215368124 PTUXXWOVPBGVQG-UHFFFAOYSA-N 343.427 4.120 0 50 EIAA c1ccc(CCc2nc(CNCc3ccc4cn[nH]c4c3)cs2)cc1 236757793 OOXAGUJHZUOPCI-UHFFFAOYSA-N 348.475 4.094 0 50 EIAA CC[C@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1cccc(Br)c1 245605291 QUEQOOMYXCPJLE-VZAMPYOESA-N 326.278 4.446 0 50 EIAA CCc1oc2c(NC(=O)NCC[C@H](C)n3ccnc3)cccc2c1C 299762285 SYIGVLRLYZQZRR-ZDUSSCGKSA-N 340.427 4.273 0 50 EIAA CCOc1cccc2cc([C@@H](C)NC(=O)N3CCC=C(C)C3)oc12 332250243 BMRGCFRYLHKTNF-CQSZACIVSA-N 328.412 4.254 0 50 EIAA CCCCN(Cc1cccc(Cl)c1)C(=O)c1cccc(CN)c1 534649372 TURKVVROSPJPIK-UHFFFAOYSA-N 330.859 4.241 0 50 EIAA Cc1ccc2nc([C@@H](NC(=O)c3cccn3C3CC3)C(C)C)[nH]c2c1 670437125 HJPCOFSTEAWXJX-SFHVURJKSA-N 336.439 4.135 0 50 EIAA Cc1ccc(-c2ncccc2NC(=O)C2SCCCS2)s1 841192449 GFIVGKJMYNIMJX-UHFFFAOYSA-N 336.507 4.253 0 50 EIAA COC[C@@H]1CCC[C@@H]1NC(=O)CCc1ccc(-c2ccccc2)cc1 1074622196 OIDPXBLKPLAELC-SFTDATJTSA-N 337.463 4.218 0 50 EIAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)n[nH]2)o1 1290744561 VYWLERHRKNHFIA-ZIAGYGMSSA-N 329.444 4.313 0 50 EIAA C[C@@H](c1cccc(-c2nccn2-c2cccc3c2CCO3)c1)N(C)C 1772813856 XAMHXJHKDNDLBQ-HNNXBMFYSA-N 333.435 4.097 0 50 EIAA CCOCCCCNC(=O)Nc1cccc([C@H](F)C(F)(F)F)c1 1775992421 ZCJTVOFOPWVPNI-ZDUSSCGKSA-N 336.329 4.198 0 50 EIAA Cc1ccc(Cc2nn3c(CSC(C)C)nnc3s2)cc1C 1776111061 RZKRZDJCODQTMV-UHFFFAOYSA-N 332.498 4.035 0 50 EIAA Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c(F)c1 1875263233 YTHGTTQVBXZHRA-UHFFFAOYSA-N 338.382 4.070 0 50 EIAA O=C(C1CCC(F)(F)CC1)N1CCC(c2ccc(F)cc2F)CC1 1875298216 RWMHYTGPCBVEKB-UHFFFAOYSA-N 343.364 4.496 0 50 EIAA COc1ccccc1-c1nc(CNc2ccccc2-n2cccn2)co1 1875317184 QAFRVZSNCCLYBZ-UHFFFAOYSA-N 346.390 4.148 0 50 EIAA O=C1[C@@H](Nc2cccc(/C=C/C(F)(F)F)c2)CCN1c1ccccc1 1875337574 YMCFNOATCBEXLV-KAMXEHQASA-N 346.352 4.480 0 50 EIAA CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 39451 LPEPZZAVFJPLNZ-GOSISDBHSA-N 340.375 4.019 0 50 EIAA biogenic,in-vitro Cc1ccc(OCC(=O)N(c2ccccn2)C2CCCCC2)c(C)c1 76038 RQMOPCGWPMUCBH-UHFFFAOYSA-N 338.451 4.443 0 50 EIAA Cc1ccccc1C(=O)NC(=S)Nc1ccc2c3c(cccc13)CC2 309439 FWDOPOYQPMEVTA-UHFFFAOYSA-N 346.455 4.374 0 50 EIAA COc1cc(Br)ccc1NC(=O)/C=C/c1ccccc1 315994 XQSGMUXDFGGTRR-JXMROGBWSA-N 332.197 4.110 0 50 EIAA O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(Cl)c1Cl 455668 WKIWGBXVGBFWDF-VOTSOKGWSA-N 341.219 4.113 0 50 EIAA CCOc1cc(C=O)ccc1OCc1ccccc1Br 1056986 FWJFMBAJXRPHSG-UHFFFAOYSA-N 335.197 4.239 0 50 EIAA C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F 4185464 FLBSBKOPWWPZAZ-JTQLQIEISA-N 327.277 4.251 0 50 EIAA O=C(CCc1ccccc1Br)Nc1ccc(F)cc1F 4542939 XBNGAOYZKNXRLW-UHFFFAOYSA-N 340.167 4.299 0 50 EIAA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(F)c1 4843023 WMVDTKXNNIALSO-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA Brc1ccccc1CNCCc1c[nH]c2ccccc12 19720606 QFHXYQKTLIINHH-UHFFFAOYSA-N 329.241 4.263 0 50 EIAA Cc1nc(-c2c(-c3ccccc3)ncn2CCOc2ccccc2)c[nH]1 65381485 PYMPYQKYXDMBKR-UHFFFAOYSA-N 344.418 4.328 0 50 EIAA CSCC[C@H]1CC(=O)Nc2c1c(C(C)C)nn2-c1ccccc1 65461674 QFHIHEUXEADYTG-ZDUSSCGKSA-N 329.469 4.175 0 50 EIAA COc1ccccc1-c1cccc(-c2cccc3c2O[C@@H](CN)C3)c1 67850567 INTPKKBZTGRWTF-GOSISDBHSA-N 331.415 4.291 0 50 EIAA C[C@@H]1CCCN1Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3=O)c1 67886135 OTMCXIZKYVTFKY-OAHLLOKOSA-N 348.446 4.052 0 50 EIAA CCc1nc(C)c(-c2nccn2[C@H](CC)c2nc3cc(C)ccc3[nH]2)[nH]1 71388565 KVNZRKNLCSDYGT-MRXNPFEDSA-N 348.454 4.328 0 50 EIAA CCc1nccc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)n1 71758810 COSSIWMQLOQEEY-HNNXBMFYSA-N 345.437 4.162 0 50 EIAA CCCCCN1CCC2(CC1)CCN(C(=O)c1cccs1)CC2 72162697 BTJKORIIVOIXCS-UHFFFAOYSA-N 334.529 4.257 0 50 EIAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 95377277 NMQINKIFEAVHBM-SFHVURJKSA-N 348.450 4.032 0 50 EIAA O=C(CN1CCc2ccccc2C1)n1c2c(c3ccccc31)CCCC2 95883200 UEBSRNFBVVUCPE-UHFFFAOYSA-N 344.458 4.219 0 50 EIAA COCC[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 96151389 RXHQYEPMJZOPOH-LBPRGKRZSA-N 348.340 4.267 0 50 EIAA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102607097 LKWMEDLWCIVBFH-ZPFDUUQYSA-N 348.295 4.096 0 50 EIAA COc1ccccc1[C@H]1C[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 109536963 KLBZFDXRRPJORR-OLZOCXBDSA-N 328.318 4.295 0 50 EIAA CCc1ccc([C@@H]2CCCCN2C(=O)Cc2nc(C)sc2C)o1 158709328 IKZSYCPNIAEXLC-INIZCTEOSA-N 332.469 4.212 0 50 EIAA Cc1ccc(OCCC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c(C)c1 170594666 KZWADBPSBYWHMG-VQIMIIECSA-N 338.451 4.077 0 50 EIAA C[C@H](C(=O)Nc1cccc(Oc2cccnn2)c1)c1ccccc1F 175913737 KQBFLIAHANHWSY-ZDUSSCGKSA-N 337.354 4.150 0 50 EIAA C[C@@H]1c2cccn2CCN1Cc1cccc(OCc2ccccn2)c1 179569483 MFIVGCYHXAVTDP-QGZVFWFLSA-N 333.435 4.039 0 50 EIAA O=C(Cc1ccoc1)Nc1c(Cl)cc(F)cc1Br 193618481 MTPWSMHQSQRENB-UHFFFAOYSA-N 332.556 4.016 0 50 EIAA COC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1 215849148 SQWSYZPBTKRBAM-UHFFFAOYSA-N 326.783 4.038 0 50 EIAA in-vitro CCn1c([C@H](C)NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)nc2ccccc21 228345622 YEYLITBABVPTKD-HDMKZQKVSA-N 339.483 4.472 0 50 EIAA Cc1cc(-n2cccn2)ccc1CN(C)Cc1csc(C(C)C)n1 823709319 YKUOCFHRSBECGQ-UHFFFAOYSA-N 340.496 4.393 0 50 EIAA C[C@@H](NC(=O)N1Cc2cccc(Cl)c2C1)c1ccc2n[nH]cc2c1 886084562 JMFDZKWLHDJARC-LLVKDONJSA-N 340.814 4.003 0 50 EIAA Cc1c(Cl)cccc1NC(=O)Nc1nnc(C(F)(F)F)s1 1775988753 GITFVXBBFLDONQ-UHFFFAOYSA-N 336.726 4.163 0 50 EIAA CCCCc1nc(-c2nccn2CC[C@@H]2CCCOC2)c(Cl)[nH]1 1857697006 HXHQPCJWIOKOCU-ZDUSSCGKSA-N 336.867 4.086 0 50 EIAA Cc1cc2cc(CNC(=O)NCc3cc(Cl)cs3)ccc2n1C 1875337541 XMWLMQOZAUSGFF-UHFFFAOYSA-N 347.871 4.201 0 50 EIAA CCN1CCN=C1NCc1ccc(-c2ccc3ccccc3c2)cc1 2325864052 FODGSXJQPDZGNK-UHFFFAOYSA-N 329.447 4.288 0 50 EIAA COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 555040 XJZIQNCERSNNBQ-CQSZACIVSA-N 343.448 4.209 0 50 EIAA Cc1cccc2c(C(=O)N3CCC[C@@H](C)C3)cc(-c3cccnc3)nc12 1460016 JQSFYIVZAZNLAN-OAHLLOKOSA-N 345.446 4.477 0 50 EIAA Cc1cc(O[C@@H](C)C(=O)N2CCc3ccccc32)cc(C)c1Cl 1460640 RZOLZJNPNUMYIM-AWEZNQCLSA-N 329.827 4.313 0 50 EIAA CCOc1ccccc1Oc1cncnc1-c1ccc(OC)cc1O 2408537 UXWMATYTJKRVJX-UHFFFAOYSA-N 338.363 4.049 0 50 EIAA biogenic CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 3907702 BEXGGKKRZWZHPI-UHFFFAOYSA-N 340.766 4.450 0 50 EIAA Cc1cc(Br)cc(C)c1OCCN1CCCCCC1 4985970 YOOWMMCGVKHNAC-UHFFFAOYSA-N 326.278 4.321 0 50 EIAA Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4ccncc4)nc3c12 6760567 VSPBBUCOJJZVKM-UHFFFAOYSA-N 346.438 4.263 0 50 EIAA FC(F)(F)c1cccc(-c2ccc(CNCC3CCNCC3)o2)c1 10434540 DOCSKHCYVWRZOO-UHFFFAOYSA-N 338.373 4.055 0 50 EIAA CCCCc1ccc(-n2nnc(-c3nnc(-c4ccco4)o3)c2C)cc1 12274305 BYNCZYATTOMSGD-UHFFFAOYSA-N 349.394 4.228 0 50 EIAA COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)c1 36620304 IIEGYUOUBLKTMY-GOSISDBHSA-N 340.423 4.381 0 50 EIAA Fc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 55543521 MHUBRQCEZKWULV-UHFFFAOYSA-N 338.348 4.167 0 50 EIAA O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 56344214 PERVUHHJWHZHOX-MRXNPFEDSA-N 334.778 4.085 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 77505881 HIPJGSBIQMVJII-UHFFFAOYSA-N 343.496 4.238 0 50 EIAA CC(C)Cc1cc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)no1 95501522 WWUNOGQSKJWKIO-FQEVSTJZSA-N 326.440 4.067 0 50 EIAA CCC(=O)O[C@H](c1ccccc1)[C@H](Cc1ccccc1)CN(C)C 96027120 XYISHAFTUAWSFR-TZIWHRDSSA-N 325.452 4.101 0 50 EIAA Cc1noc(-c2ccccc2)c1NC(=O)N1CCC[C@@H]1c1ccncc1 126359507 MJRZOWXPJTUXID-QGZVFWFLSA-N 348.406 4.414 0 50 EIAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C[C@@H](C)c1ccc(F)cc1 157007470 NMTCPWBJASHGAZ-SJKOYZFVSA-N 329.419 4.023 0 50 EIAA Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cnc3ccccc3n2)o1 173550163 LXPKEYWXTVYTLL-SCLBCKFNSA-N 335.407 4.145 0 50 EIAA Cc1cc([C@H](C)NCc2nc(Cc3ccccc3)no2)c(C)s1 194561742 HAOIQKYFCSVMTH-ZDUSSCGKSA-N 327.453 4.190 0 50 EIAA Cc1ccc2c(CN3CCC=C(c4cccnc4)C3)cc(=O)oc2c1C 241774023 RMJOQNJRNBZJLM-UHFFFAOYSA-N 346.430 4.094 0 50 EIAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@@]12C 257357096 LZCICCXBBYHFCF-PHHBAXLXSA-N 346.511 4.164 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257357386 NTIDOCUQWIFRTK-OFSZZEKASA-N 334.500 4.179 0 50 EIAA Cc1ccc2c(c1)CC[C@@H](c1nc(-c3c(C)nsc3C)no1)O2 330226979 PACUPTYKFNQNFK-AWEZNQCLSA-N 327.409 4.185 0 50 EIAA Cc1cc(O)nc2cc(C(=O)Nc3ccccc3N3CCCC3)ccc12 361028243 NVJSIVATTZDARP-UHFFFAOYSA-N 347.418 4.101 0 50 EIAA O=c1cnc(-c2ccccc2)cn1CC1CCC(C(F)(F)F)CC1 419025440 AMUUYMAXOIHPIW-UHFFFAOYSA-N 336.357 4.279 0 50 EIAA Cc1nc(C)c(C(=O)N[C@@H](C)c2cc(Cl)cc(Cl)c2F)o1 830382062 YMYJQZNIDXXVQF-LURJTMIESA-N 331.174 4.228 0 50 EIAA Cc1nccnc1[C@@H](C)NCc1nc2c(s1)C(C)(C)CC(C)(C)C2 931617885 KQUSWXHJZRJLHS-CYBMUJFWSA-N 344.528 4.342 0 50 EIAA CCCCc1nc(C)c(CC(=O)N2CC(Cc3ccsc3)C2)s1 1148780262 CEYQAHGPMLQVCA-UHFFFAOYSA-N 348.537 4.099 0 50 EIAA O=C(c1cccc(Cl)c1)N1CCC(c2ccc(Cl)cn2)CC1 1263881208 HVQNGLADIVXQOM-UHFFFAOYSA-N 335.234 4.408 0 50 EIAA Oc1ccc(-c2cnn(Cc3ccccc3)c2)cc1OC(F)(F)F 1772805361 MADZAWQXLKXIIQ-UHFFFAOYSA-N 334.297 4.203 0 50 EIAA Cc1c(NC(=O)c2ccc3c(c2C)CCC3)cccc1-c1nnco1 1875321883 ZVUSJEIBCCCZSQ-UHFFFAOYSA-N 333.391 4.094 0 50 EIAA CC(C)(C)C1CCC(OC(=O)[C@@H]2CC(=O)O[C@H]2c2ccccc2)CC1 185902 RTCZJYLOKUHTJO-WXVPWVKJSA-N 344.451 4.439 0 50 EIAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccncc1 267577 ZOJBCCCEFJXDFD-UHFFFAOYSA-N 336.778 4.218 0 50 EIAA CC(=O)c1c(N2CCCCC2)nc(=S)n(-c2ccccc2)c1C 441339 PNKGZSUSUOQDNL-UHFFFAOYSA-N 327.453 4.103 0 50 EIAA O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1cccs1 451134 CSEWPXCTYNDARK-UHFFFAOYSA-N 331.249 4.182 0 50 EIAA CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccs1 472475 UYBBSBLQQHPZEC-UHFFFAOYSA-N 335.841 4.070 0 50 EIAA O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1Cl 858419 OAAGNVBDLHBTPF-UHFFFAOYSA-N 335.142 4.319 0 50 EIAA biogenic C/C=C/c1ccc(OCCOc2cc(C=O)ccc2OC)c(OC)c1 2983889 XLPBKHVUZAVGFN-SNAWJCMRSA-N 342.391 4.007 0 50 EIAA COC[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 12316294 XNSOIFLKRNEHPJ-QGZVFWFLSA-N 347.462 4.212 0 50 EIAA CC(C)(C)c1ccc(OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 12384134 ZSRIPNTZZHHAPN-VQTJNVASSA-N 330.424 4.011 0 50 EIAA CCN(CCCCO)C(=O)c1ccccc1Cc1ccc(Cl)cc1 55198253 KMYUMYJHUYUJKP-UHFFFAOYSA-N 345.870 4.165 0 50 EIAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccccn1 55523615 ISJXTXQGXVMNOI-GOSISDBHSA-N 349.459 4.106 0 50 EIAA Cc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3F)cc2)nn1 72434183 LCQGESHODQYXOS-UHFFFAOYSA-N 340.333 4.059 0 50 EIAA CC(C)c1nc(CN(C)Cc2c[nH]c(CC3CCCC3)n2)cs1 77422620 WJNIBRXHUQAFIV-UHFFFAOYSA-N 332.517 4.354 0 50 EIAA C[C@H](CN1CCCCC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 96028127 YJNFZIRUSJRKOH-WIYYLYMNSA-N 336.479 4.280 0 50 EIAA CC(C)(C)C(=O)c1ccsc1NC(=O)Cc1noc2ccccc12 118627224 ASEBUECVRREDQC-UHFFFAOYSA-N 342.420 4.299 0 50 EIAA O=C(Nc1cnccc1-c1cccc(F)c1)[C@H]1CCOc2ccccc21 177545509 WMIHRRCZTULXIZ-SFHVURJKSA-N 348.377 4.393 0 50 EIAA O=C(c1ccc(Oc2ncncc2-c2ccccc2)cc1)N1CCCC1 432164720 CVBNWAHBMQMKRW-UHFFFAOYSA-N 345.402 4.172 0 50 EIAA Fc1cc(F)c2c(c1)OC[C@H]2Nc1nc(-c2ccccc2)ns1 681237463 CFDNPUDHPFVDME-GFCCVEGCSA-N 331.347 4.029 0 50 EIAA Clc1cccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1 1857686104 IEZWMZHNDLNUDZ-FUHWJXTLSA-N 329.875 4.468 0 50 EIAA CC(C)(C1=N[C@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1 39431 JTNVCJCSECAMLD-ROUUACIJSA-N 334.419 4.353 0 50 EIAA in-vitro C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=S)N(c1nc3ccccc3s1)N2 197222 XYQIHLDLNHFALM-PIGZYNQJSA-N 346.525 4.038 0 50 EIAA CC(C)(C)c1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 532800 KXCHFZCDQKLOBB-UHFFFAOYSA-N 335.436 4.212 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 2753429 XTLQGZWRRAOALZ-QPJJXVBHSA-N 343.251 4.043 0 50 EIAA c1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 5014049 HJMOIPLRBPPKKP-UHFFFAOYSA-N 340.430 4.224 0 50 EIAA COC(=O)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 5064849 JUKBKNATMZLVBA-UHFFFAOYSA-N 327.424 4.018 0 50 EIAA O=C(N[C@H]1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl 6321054 SBBSYDJACJBNAS-NSHDSACASA-N 326.204 4.112 0 50 EIAA Cc1cc(S[C@@H](C)C(=O)NC2CCCCC2)nc2ccccc12 11907447 YLJSGNXWIUWHHA-AWEZNQCLSA-N 328.481 4.473 0 50 EIAA Cc1cc2c(=O)n(CCc3cccc(Cl)c3)c(=S)[nH]c2s1 17070819 NCGMHPSLVMACEY-UHFFFAOYSA-N 336.869 4.325 0 50 EIAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccoc2)C1 19111118 VFJKEFKAKRPMQH-OAHLLOKOSA-N 337.341 4.393 0 50 EIAA CCc1cc(=O)[nH]c(-c2ccccc2CN(C)C2CCCCCC2)n1 48072031 INQHNMLNHFZEAF-UHFFFAOYSA-N 339.483 4.154 0 50 EIAA CC(C)c1cc(C2CCN(Cc3ccnn3-c3ccccc3)CC2)n[nH]1 67756452 DKKDFCCALLYDNJ-UHFFFAOYSA-N 349.482 4.098 0 50 EIAA Cc1ccc(Oc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nn1 72441561 PERNNORAZPFGQQ-HNNXBMFYSA-N 333.391 4.068 0 50 EIAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 95512851 ZGBQGVNWABUPRO-OAHLLOKOSA-N 344.434 4.234 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1CCC[C@](O)(c1ccccc1)c1cccnc1 102196803 NPQAWCNDVWTXAM-KNKQGSTJSA-N 338.495 4.361 0 50 EIAA Cc1coc(-c2cc(NC(=O)Cc3c(C)noc3Cl)ccc2C)n1 129848946 JAMHRLMRTMPSNB-UHFFFAOYSA-N 345.786 4.089 0 50 EIAA O=C(NC1CCN(C2CCCCC2)CC1)c1cc(Cl)ccc1F 177262369 HJCDMHVDWNCGMO-UHFFFAOYSA-N 338.854 4.006 0 50 EIAA Cc1ccccc1NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1 225456076 VOABQIFBYDXOHY-UHFFFAOYSA-N 329.762 4.430 0 50 EIAA Fc1ccc2c(c1)Sc1ccc(Cl)cc1[C@H](N1CCNCC1)C2 252494471 NWROBGNWTKLKBB-MRXNPFEDSA-N 348.874 4.133 0 50 EIAA COc1cc(F)c([C@H](C)Nc2ncnc3ccc(F)cc23)cc1OC 301280775 MLLMOIZUGOVVPW-JTQLQIEISA-N 345.349 4.098 0 50 EIAA O=C(N[C@@H]1CC[C@H]2C[C@@H]2C1)c1cc(-c2ccncc2)nc2ccccc12 843738629 FJEAKJNXNOFWJW-GVDBMIGSSA-N 343.430 4.215 0 50 EIAA Cc1ccc2cc(-c3nccn3-c3ccc4c(c3)COC4)c(O)nc2c1 1772806745 KDJZBIJVLGTPQE-UHFFFAOYSA-N 343.386 4.132 0 50 EIAA Cc1cc(CN[C@H](C)c2cccc(-c3ccncc3)c2)ccc1CO 1875338999 SJXTWBQWGASINW-QGZVFWFLSA-N 332.447 4.400 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)c1ccc2ccccc2n1 2325742184 AAUXTNCIOGCQQS-ZWKOTPCHSA-N 334.463 4.045 0 50 EIAA CN(Cc1cc(Cl)cc(Cl)c1)C1=NC[C@@H](c2ccccc2)N1 2325863928 AJNPBANFMNCUSD-INIZCTEOSA-N 334.250 4.126 0 50 EIAA CCCc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 148960 JJIQSDGTPQUNLY-UHFFFAOYSA-N 337.448 4.261 0 50 EIAA Cc1nc2sccn2c1-c1csc(Nc2cccc(O)c2)n1 209938 CQZXUEPELDEJAW-UHFFFAOYSA-N 328.422 4.277 0 50 EIAA CC[C@@H](C)[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O 237079 YCUGYQJADWATHB-ABAIWWIYSA-N 341.436 4.270 0 50 EIAA COc1ccccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 309807 SQLRNIOERKXGOP-UHFFFAOYSA-N 339.416 4.163 0 50 EIAA CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 463147 LQODJMHXTIXKSN-ZDUSSCGKSA-N 333.815 4.453 0 50 EIAA CC[C@@H](Oc1ccccc1)c1nnc(NC(=O)c2cccs2)s1 618208 HUNMAGQDAZCRDQ-GFCCVEGCSA-N 345.449 4.382 0 50 EIAA Cc1cc(C)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c(=O)[nH]1 1408070 LLCLLHPSJQCGNC-UHFFFAOYSA-N 345.324 4.135 0 50 EIAA O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C1CCCCC1 2552527 LDDYZWRTNJEAQQ-UHFFFAOYSA-N 326.392 4.158 0 50 EIAA CCc1nn2c(NCc3ccccn3)cc(C)nc2c1-c1ccccc1 5243390 RTSSRIAAVPFIAQ-UHFFFAOYSA-N 343.434 4.274 0 50 EIAA CC(C)c1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)n[nH]1 12306617 OTHKIYSDVBLHIH-OAHLLOKOSA-N 345.874 4.281 0 50 EIAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cccs2)c1C 12714320 QNFIRLDJVUZTML-CYBMUJFWSA-N 325.437 4.042 0 50 EIAA CCC(=O)Nc1cccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1 48345305 MBMWQWJIAXEYGG-OXQOHEQNSA-N 328.456 4.076 0 50 EIAA CC(C)c1csc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)n1 55360825 GTOMAVDIEWFSGX-UHFFFAOYSA-N 344.459 4.428 0 50 EIAA Oc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1Cl 71614144 QXDJSUYQHRJWDW-QGZVFWFLSA-N 338.234 4.273 0 50 EIAA COc1ccc(O)cc1CN1CCC[C@H](CCc2ccc(F)cc2)C1 71736534 KSKJWNDJMPZQIC-QGZVFWFLSA-N 343.442 4.385 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CCCC[C@@H]1c1cccnc1 72125314 FUCPTLGTUVIZDY-GOSISDBHSA-N 333.391 4.104 0 50 EIAA CNC(=O)c1cccc(-n2ccnc2-c2ccccc2-c2ccco2)c1 72427308 FWIAXNZDKGVELQ-UHFFFAOYSA-N 343.386 4.159 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2c1 77470068 ZRJLCDQKVXFJST-OAQYLSRUSA-N 345.446 4.470 0 50 EIAA CC(C)Cc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)on1 91876432 GDYUPACHBYKJKF-UHFFFAOYSA-N 340.345 4.164 0 50 EIAA FC(F)C(F)(F)CCN1CCC[C@@H](c2nccn2CC2CCC2)C1 95355098 WWLHRMSNFIDJHQ-CQSZACIVSA-N 347.400 4.153 0 50 EIAA CCCSc1ccccc1NC(=O)N(C)Cc1nc(C2CC2)no1 96161477 GACQRMSJIUSRPJ-UHFFFAOYSA-N 346.456 4.113 0 50 EIAA c1ccc(-c2n[nH]cc2CN2CCC3(CC2)CNc2ccccc23)cc1 97619260 UKIFZITVEBJHRB-UHFFFAOYSA-N 344.462 4.036 0 50 EIAA c1ccc(COc2ccccc2-c2noc([C@@H]3CCCOC3)n2)cc1 113720847 LNRGKUYTPFSEOI-MRXNPFEDSA-N 336.391 4.210 0 50 EIAA CC[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 130964435 CICJAYODXXQZQZ-NSHDSACASA-N 338.238 4.051 0 50 EIAA COCCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C1CC1 189441442 KMQQESMTVPYWGZ-FQEVSTJZSA-N 338.451 4.018 0 50 EIAA C[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cn1 225551945 REGRFAAJAQGOST-GWCFXTLKSA-N 344.381 4.049 0 50 EIAA Nc1nc(Cl)cc(Nc2cccc(OCc3ccccc3)c2)n1 309834097 TXQBWQKMXHSMNR-UHFFFAOYSA-N 326.787 4.035 0 50 EIAA C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(C(F)F)nc1 850456245 CCJMGBHZYGNXAW-KGLIPLIRSA-N 347.409 4.417 0 50 EIAA CCCCn1ncc(NC(=O)N[C@@H]2CCOC23CCCC3)c1C(C)C 931077060 NELQRKVHZUDYIP-MRXNPFEDSA-N 348.491 4.030 0 50 EIAA Nc1nc2cc(-c3ccc(O)c(OC(F)(F)F)c3)ccc2s1 1772707749 ZHQOMPWYALNBQQ-UHFFFAOYSA-N 326.299 4.150 0 50 EIAA CSc1cccc(N2Cc3cc(Cl)ccc3O[C@H](C)C2=O)c1 1775972969 IBPKNZAUNYPLBO-LLVKDONJSA-N 333.840 4.376 0 50 EIAA CCCc1nc(-c2cc3ccccc3cn2)nn1-c1cccc(OC)c1 1875349477 YSHZRKFRXGNUKX-UHFFFAOYSA-N 344.418 4.444 0 50 EIAA Cc1ccc(-c2csc(NC(=O)c3cccc(C(=O)O)c3)n2)cc1 2325825611 WWQXJJLYWIGMAJ-UHFFFAOYSA-N 338.388 4.069 0 50 EIAA CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 186228 NVJDCTFFEITRAB-UHFFFAOYSA-N 328.437 4.228 0 50 EIAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1Br 442173 OOPPIYWBHOTCGE-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCc2ccccc21 469829 XMZSTNCQKGKKCX-UHFFFAOYSA-N 341.476 4.486 0 50 EIAA Cc1nc2ccccc2nc1OCc1ccc(Br)cc1 523621 FGOMYRAYECOKBB-UHFFFAOYSA-N 329.197 4.280 0 50 EIAA CCc1ccc(NC(=S)Nc2sc(CC)cc2C(=O)OC)cc1 6283939 NOFHKCKWEYLBBL-UHFFFAOYSA-N 348.493 4.468 0 50 EIAA O=C(NCc1ccc(C(=O)O)cc1)Nc1ccc(Cl)cc1Cl 17071068 HJTGTNADPJXBAM-UHFFFAOYSA-N 339.178 4.013 0 50 EIAA CC(C)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 33088847 KVIMPGXSKHMNKW-CQSZACIVSA-N 346.430 4.494 0 50 EIAA O=C1C[C@@H](c2cc(Cl)ccc2F)c2cnn(C3CCCC3)c2N1 72117255 KJXNFXJLKDAMOY-LBPRGKRZSA-N 333.794 4.265 0 50 EIAA O=C(NCC[C@@H]1CCCOC1)c1ccc(-c2ccccc2Cl)o1 91950690 NIXRVHBRHCOMAY-ZDUSSCGKSA-N 333.815 4.147 0 50 EIAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)ccc2F)c1 122512637 UYROSPYUHMPAQI-UHFFFAOYSA-N 334.778 4.388 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 185867989 FITDDRPTVJYQSX-AWEZNQCLSA-N 343.402 4.096 0 50 EIAA Cc1nc(CC2CCN(Cc3cccc(Cl)c3Cl)CC2)no1 216508651 CRACAIFUCFECGB-UHFFFAOYSA-N 340.254 4.140 0 50 EIAA Cc1csc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1Cl 239672621 BUGBQSLLKGYCEK-UHFFFAOYSA-N 348.899 4.104 0 50 EIAA CC(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)c(C)nc1C 362419632 CRMWCLJHCLOSIN-ODXCJYRJSA-N 336.435 4.269 0 50 EIAA CCCO[C@@H](C)CNC(=O)c1ccc(-c2nccc3ccccc23)cc1 426746127 RFBIQBJZUDIVEE-INIZCTEOSA-N 348.446 4.447 0 50 EIAA COc1c(C)cc([C@@H](C)NC2CC(N3CCCCC3)C2)cc1Cl 796979568 GRBIJXOORNHALS-ODIFPOPNSA-N 336.907 4.325 0 50 EIAA Cc1ncccc1CN1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 1529172335 KMPJIDJQHAEUBH-HSZRJFAPSA-N 349.522 4.268 0 50 EIAA Cc1nnc2ccc(-c3nc(CC(C)(C)C)nn3C3CC3)cc2c1C 1875348692 ZHRRWMKWANNFSG-UHFFFAOYSA-N 335.455 4.429 0 50 EIAA CC(C)(C)c1ccc(C2(CNC(=O)c3cccc4cncn34)CC2)cc1 2325854957 BFLXOGMQAMKRGE-UHFFFAOYSA-N 347.462 4.093 0 50 EIAA COc1ccccc1OCc1ccc(C(=O)N(C)c2ccccc2)o1 115383 DEVKSROCDFPFBZ-UHFFFAOYSA-N 337.375 4.144 0 50 EIAA COc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 333051 JDFHIKIRIASUFG-QGZVFWFLSA-N 346.430 4.276 0 50 EIAA COc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1 450231 STFWTHVOHZPUMH-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)cc1C 581874 ZZDKDTQYVMOEPX-UHFFFAOYSA-N 341.835 4.062 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 2817699 KVKNEPHNDRRFMN-HZPDHXFCSA-N 348.229 4.415 0 50 EIAA Cc1cc(-c2ccccc2)nc(SCc2ccc(C(=O)O)o2)n1 2885384 BGDDHMHJHBCPSA-UHFFFAOYSA-N 326.377 4.036 0 50 EIAA O=P(Nc1ccccn1)(Nc1ccccn1)Oc1ccccc1 4342558 RALIMGIGWJNRRW-UHFFFAOYSA-N 326.296 4.188 0 50 EIAA CCN(CC)CCn1c2ccccc2n2cc(-c3ccccc3)nc12 4786120 HMPKOXQVGWHRCO-UHFFFAOYSA-N 332.451 4.298 0 50 EIAA COc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1 4868467 STEJQCGSPCNAPX-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCC1CCCC1 4943872 GKAYCQZRFAHMSR-UHFFFAOYSA-N 347.846 4.319 0 50 EIAA Cc1c(NCc2cccnc2)cccc1C(=O)N(C)[C@@H](C)c1ccco1 55088849 MIODOQXNBVJHGR-INIZCTEOSA-N 349.434 4.428 0 50 EIAA O=C(Nc1ccccc1Cl)c1cccc(Oc2ncccn2)c1 82230624 LCFDAMUDFBDVPX-UHFFFAOYSA-N 325.755 4.175 0 50 EIAA CC(C)c1nc(CCN2C[C@@](C)(c3ccccc3)CCC2=O)cs1 91602993 SCOFKKFFAWOEMT-FQEVSTJZSA-N 342.508 4.389 0 50 EIAA Cc1cc(C)c(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cn1 91650555 UUCIWZHDJLKRJY-SFHVURJKSA-N 338.451 4.032 0 50 EIAA CCc1c(C(=O)N(C)CCCN2CCCCCC2)[nH]c2ccccc12 97155636 FNUNTEKZFWJPHO-UHFFFAOYSA-N 341.499 4.068 0 50 EIAA CCCCOc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 100103854 POIXPRUCJNVKRG-ROUUACIJSA-N 327.424 4.101 0 50 EIAA CCCOc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c(C)c1 117625201 JZONQJVHKZJEBI-UHFFFAOYSA-N 335.407 4.222 0 50 EIAA O=C(Nc1cccc2[nH]ccc12)N(CCCO)[C@@H]1CCc2ccccc21 126231017 SREPJRNGZQSXBB-HXUWFJFHSA-N 349.434 4.072 0 50 EIAA O=C(C1CCC(F)(F)CC1)N1CC[C@@H](CSc2ccccc2)C1 136512284 NWGVQJWWSFMXMA-CQSZACIVSA-N 339.451 4.453 0 50 EIAA C[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc(Cl)cc1Cl 147192626 NKMRDMHAHZINGL-SECBINFHSA-N 344.267 4.353 0 50 EIAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(CC=CCC4)C3)[nH]n2)cc1 170626863 LJYAUBKPCBZSHT-NRFANRHFSA-N 335.451 4.348 0 50 EIAA O=C(CCc1nnc(C2CCCC2)o1)N1CCC=Cc2ccccc21 190106092 XJYLCSWLJDIIOB-UHFFFAOYSA-N 337.423 4.110 0 50 EIAA COCc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)s2)o1 193881348 BHVAAWQHAANRCW-ZDUSSCGKSA-N 339.844 4.047 0 50 EIAA Cn1ccc2cc(CN3CCC([C@@H](O)c4cccs4)CC3)ccc21 216113301 VDZILAYETSUTRJ-HXUWFJFHSA-N 340.492 4.185 0 50 EIAA O=C(C[C@H]1CCCN1C(=O)c1ccoc1C1CC1)c1cccs1 241588008 OYWVWUUBWIJPSF-CYBMUJFWSA-N 329.421 4.096 0 50 EIAA C[C@@H](CO)CN(Cc1ccccc1)Cc1cc(C2CCCCC2)no1 252491944 MABQOHKMIVRYPL-QGZVFWFLSA-N 342.483 4.353 0 50 EIAA C[C@H](N[C@H](C)c1ccc2c(c1)COC(C)(C)O2)c1ccncc1F 253416001 IZUOULLTUYRLRB-OLZOCXBDSA-N 330.403 4.278 0 50 EIAA O=C(c1cccc2c[nH]nc12)N1CCCC[C@H]1c1ccc(F)cc1F 354999832 CFMNNDCFZDPHTN-KRWDZBQOSA-N 341.361 4.209 0 50 EIAA COCc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 411075021 XDPMIKOSQQCTRP-LJQANCHMSA-N 349.434 4.077 0 50 EIAA Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H](C(=O)O)c2ccccc21 669434899 MRALLWAECHCWGX-MAUKXSAKSA-N 337.419 4.094 0 50 EIAA Clc1ccc(OCCCOc2ccccc2-c2nnco2)cc1 678943558 CVVJRJVEFNLJBW-UHFFFAOYSA-N 330.771 4.238 0 50 EIAA Cc1cc(Cc2nc(C(C)(C)Cc3ccc(Cl)cc3)no2)no1 904086287 NCSOBQRWUPHSNK-UHFFFAOYSA-N 331.803 4.131 0 50 EIAA O=C(NC1(c2ccccc2Br)CC1)OCc1ccccc1 1083104377 REHJVNIUODISBY-UHFFFAOYSA-N 346.224 4.365 0 50 EIAA c1ccc2c(c1)CCC[C@H]2NCc1ccc(Oc2cnccn2)cc1 1461800147 WGFYEODTSMTHRM-HXUWFJFHSA-N 331.419 4.436 0 50 EIAA C[C@H](c1cccc(-c2nccn2-c2cccc3c2CCO3)c1)N(C)C 1772813857 XAMHXJHKDNDLBQ-OAHLLOKOSA-N 333.435 4.097 0 50 EIAA Cc1cc(SCc2ccccc2N(C)C)nc(-c2ccccn2)n1 1875288355 XYHUAOLKTSQMKR-UHFFFAOYSA-N 336.464 4.205 0 50 EIAA Cc1cnc([C@H](OC(=O)c2ccc(C3CC3)cc2)C(F)(F)F)o1 1875293429 QEIXQGIUTROHFC-ZDUSSCGKSA-N 325.286 4.321 0 50 EIAA Nc1nc(SCC2C[C@H]3C[C@@H]3C2)nc2sc3c(c12)CCCC3 1875354755 NUBQJNYUMVOZBL-QWRGUYRKSA-N 331.510 4.291 0 50 EIAA COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 190831 HYQRHKWYLDADJU-OVCLIPMQSA-N 348.185 4.347 0 50 EIAA COc1ccc(Cl)cc1C(=O)Nc1nnc(CC(C)(C)C)s1 475140 MOHLYAORIYKCGW-UHFFFAOYSA-N 339.848 4.041 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1F 476429 GPFBUIBKMNADKN-UHFFFAOYSA-N 328.170 4.458 0 50 EIAA COc1cccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 527065 JEIACBXBTZPWOF-OAHLLOKOSA-N 349.434 4.146 0 50 EIAA COc1ccccc1CNC(=O)c1ccccc1CCc1ccccc1 1065040 NCSKSVGXEPKURG-UHFFFAOYSA-N 345.442 4.410 0 50 EIAA COc1cc(NC(=O)Cc2ccccc2Cl)c(OC)cc1Cl 3333477 MKXRIILFHFBYPE-UHFFFAOYSA-N 340.206 4.192 0 50 EIAA Sc1nnc(CCc2ccccc2)n1Cc1ccc(Cl)cc1 6829483 PAKBXIXBSVVOFN-UHFFFAOYSA-N 329.856 4.054 0 50 EIAA O=C(COCc1cc(-c2cccs2)on1)Nc1ccccc1Cl 6876590 PVIFQIYSEISRLQ-UHFFFAOYSA-N 348.811 4.212 0 50 EIAA COc1cc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc(OC)c1 36620498 CIMYFVMWMQREMV-LJQANCHMSA-N 340.423 4.381 0 50 EIAA Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)nn1 72442085 JSHWBERCSOLEAT-UHFFFAOYSA-N 341.317 4.108 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H]2C(F)(F)F)c2ccc(C)c(C)c2n1 77287605 KXTYXUAVFSQSKG-HNNXBMFYSA-N 336.357 4.327 0 50 EIAA Fc1ccc(-c2n[nH]cc2CN2CC[C@@H]2c2ccc(F)cc2)cc1 97729515 NPTQMTIQEHHWGJ-GOSISDBHSA-N 325.362 4.302 0 50 EIAA Cc1ccc2ncccc2c1CN1CCCC[C@H]1CCn1ccnc1C 97822927 FZIHAERSFBXDIM-IBGZPJMESA-N 348.494 4.493 0 50 EIAA O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[C@H]2OCCC[C@H]2C1 121582080 HHYPIMYFPZHHBA-HNAYVOBHSA-N 344.455 4.041 0 50 EIAA Clc1ccc2c(c1)C=C(CN[C@H](c1nccs1)C1CC1)CO2 174549954 VHFQIKJMEDDCNH-INIZCTEOSA-N 332.856 4.313 0 50 EIAA CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC(F)(F)C1 332106672 FAEGPOFGJSIRGG-UHFFFAOYSA-N 334.370 4.004 0 50 EIAA O=C(Nc1nc(C2CCOCC2)cs1)N[C@H]1C[C@@H]1C1CCCCC1 332832338 SUMORCWBVPCTPR-CABCVRRESA-N 349.500 4.127 0 50 EIAA CCn1c(C)cc2cc(NC(=O)CCc3c(C)noc3C)ccc21 823582642 UUXWFHBQAHUJBF-UHFFFAOYSA-N 325.412 4.146 0 50 EIAA Cc1cc(NC(=O)c2coc(CC3CC3)n2)ccc1-c1cccnc1 1875295699 OETGDEOCAGNHPO-UHFFFAOYSA-N 333.391 4.250 0 50 EIAA O=C(c1cc2c(cc1O)CCCC2)N1Cc2ccccc2C2CC1C2 1875362419 DFCGNWOIEBANBZ-UHFFFAOYSA-N 333.431 4.173 0 50 EIAA NC(=O)CCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325731321 FCBZWCJZQWPWTH-UHFFFAOYSA-N 341.411 4.111 0 50 EIAA COc1cccc(CN2CC[C@@H](c3ccccc3)CCC2=O)c1OC 2356145911 XNQGQBQIKTZEDI-KRWDZBQOSA-N 339.435 4.000 0 50 EIAA O=C1CCCCCN1Sc1c(-c2ccccc2)nc2sccn12 101719 GBBJELJBXGBMRC-UHFFFAOYSA-N 343.477 4.473 0 50 EIAA COc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 190915 PRGLVPHVMLHJGP-UHFFFAOYSA-N 328.368 4.210 0 50 EIAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 335966 KLHJWYMUYRHVIZ-UWVGGRQHSA-N 349.736 4.188 0 50 EIAA CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C 433675 ZOWLSIPACNYHEW-UHFFFAOYSA-N 337.466 4.498 0 50 EIAA CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2C)cc1 469939 ADKSPVCEFKPQNP-ZDUSSCGKSA-N 341.407 4.224 0 50 EIAA CN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2F)C1=O 1172743 SIKVUQGPNWCUJH-YBEGLDIGSA-N 343.379 4.071 0 50 EIAA CCCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 2081098 RLZUHPNGSHKASZ-BOPFTXTBSA-N 341.794 4.473 0 50 EIAA COc1cccc(OCCCOc2cccc(Br)c2)c1 2983674 VYZWRSVUBLIXIJ-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA CCc1c(C)nc2c(Br)cccc2c1SCC(=O)O 4805317 LBXQSISQLVHKRT-UHFFFAOYSA-N 340.242 4.045 0 50 EIAA COc1ccc(-n2ncc3c2C[C@@H](c2ccc(C)cc2)CC3=O)cc1 6661698 KIXNMYMRKBAGPG-MRXNPFEDSA-N 332.403 4.102 0 50 EIAA Cc1sc(NC(=O)c2ccncc2)nc1-c1cccc(Cl)c1 16603360 VJIYYYSFBSGQJN-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA COc1cc2c(cc1OC)CN([C@H](C)CCc1ccccc1)CC2 23283592 PAAGEPWOGWIBJB-MRXNPFEDSA-N 325.452 4.083 0 50 EIAA Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 27916751 FCYJRWYCRJIMOC-UHFFFAOYSA-N 336.435 4.182 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)c2ccncc2Cl)cc1 55071401 SSXGFTYSHWCICW-UHFFFAOYSA-N 331.803 4.116 0 50 EIAA COc1ccc2c(c1)O[C@H](C)CN(Cc1ccc3cccnc3c1)C2 55575529 UNOKSTIGPVDRMJ-OAHLLOKOSA-N 334.419 4.027 0 50 EIAA c1ccc2c(c1)CCN(C1CCN(c3ccc4ccccc4n3)CC1)C2 77302467 GJONFOHYZDAJLA-UHFFFAOYSA-N 343.474 4.262 0 50 EIAA Cc1ccc(C)c([C@@H](c2cccnc2)n2cc(-c3nccs3)nn2)c1 95358081 ZIAQVLSQWHNOCG-GOSISDBHSA-N 347.447 4.051 0 50 EIAA C[C@@H](NC(=O)c1ccccc1OC(F)F)c1cccc(F)c1F 155838560 YJFAXJRRAFGHEV-SECBINFHSA-N 327.277 4.057 0 50 EIAA CCO[C@@H]1C[C@H](Nc2ccc3oc(C4CC4)nc3c2)C12CCOCC2 186455030 FYXMRTXCAAZQJT-ZWKOTPCHSA-N 342.439 4.091 0 50 EIAA Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O 226392834 OWIIOMAKHSFEFP-OMZCGLGVSA-N 345.442 4.233 0 50 EIAA COCc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2F)cc1 241439945 NNQSZRPBNYLVEW-UHFFFAOYSA-N 332.375 4.403 0 50 EIAA C[C@]12CCC3(CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12)OCCO3 253596346 QIOYEDVDPAWRGZ-UXXOSCIKSA-N 332.484 4.053 0 50 EIAA Cc1nc(C(C)C)oc1C(=O)N1C[C@H](C)Oc2c(Cl)cccc21 293722701 VSPAQCRYNRSGMU-JTQLQIEISA-N 334.803 4.188 0 50 EIAA C[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)c2c(O)cccc21 469293797 QCYJPTYQHOZBTF-KEQGGVEFSA-N 333.431 4.137 0 50 EIAA CCCC[C@H]1CN(C(=O)c2c(F)cccc2F)C[C@@H](C(C)C)O1 1615953685 XTNSKJPRRAYANR-BBRMVZONSA-N 325.399 4.021 0 50 EIAA C[C@H](NCCn1ccc2cc(Cl)ccc21)c1cccc2c1OCO2 2325870066 IETKIVNYKWIVDY-ZDUSSCGKSA-N 342.826 4.374 0 50 EIAA CC(C)n1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21 95064 IEIFUBMIQMWUTL-LDADJPATSA-N 345.402 4.320 0 50 EIAA FC(F)(F)c1cc(-c2ccccc2)nc(NCc2cccnc2)n1 213193 JUYPHOHITMKBLE-UHFFFAOYSA-N 330.313 4.170 0 50 EIAA COc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 318051 NUFVDXGHFPLDKE-NRFANRHFSA-N 346.382 4.476 0 50 EIAA CC1=CC(C)(C)N(C(=S)NC(=O)c2ccccc2)c2ccccc21 433733 UBJFPFQKRMHHQT-UHFFFAOYSA-N 336.460 4.403 0 50 EIAA O=C(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C1CC1 457457 MCIXXAILVOMKQO-UHFFFAOYSA-N 340.762 4.429 0 50 EIAA Cc1ccnc(N(C(=O)c2cccs2)C(=O)c2cccs2)c1 457790 FVYUHSFOGCQNPC-UHFFFAOYSA-N 328.418 4.000 0 50 EIAA Cc1ccc(C(C)(C)C)c(SCC(=O)Nc2nnc(C)s2)c1 2504101 ITYRBLPCBQVJAP-UHFFFAOYSA-N 335.498 4.183 0 50 EIAA CCOc1cc(CNCc2cccnc2)ccc1OCc1ccccc1 4413443 AJMWBZUYOWVWOF-UHFFFAOYSA-N 348.446 4.349 0 50 EIAA CC(C)(c1cc(Cl)cc(Cl)c1)N1C(=O)C2=C(CCCC2)[C@H]1O 12381823 NCZAYYXHAQQZGF-OAHLLOKOSA-N 340.250 4.260 0 50 EIAA CCCC(=O)N1CCC(n2c(C3CCC3)nc3cc(F)ccc32)CC1 14984866 RAPGDVQLAKOBPL-UHFFFAOYSA-N 343.446 4.407 0 50 EIAA Cc1ccc(-c2[nH]c([C@H]3CC(=O)N(C4CCCC4)C3)nc2C)c(C)c1 19837200 LGKYPTLDTWNVJY-INIZCTEOSA-N 337.467 4.260 0 50 EIAA Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(Cl)cc3)c2n1 37866304 HREVLIWZBBVYHV-UHFFFAOYSA-N 349.825 4.365 0 50 EIAA CCCn1cc(-c2ccnc(N[C@@H]3CCc4ccccc43)n2)c(C)n1 48488524 IVBNDKUYYONSFM-GOSISDBHSA-N 333.439 4.158 0 50 EIAA FC(F)(F)CCc1ccnc(NCc2cnc3ccccc3c2)n1 71575397 CDCSSDYJCCEFRJ-UHFFFAOYSA-N 332.329 4.132 0 50 EIAA Cc1ccnc(-c2ccc(NC(=O)N[C@@H](C)c3cccc(O)c3)cc2)n1 115772613 JJSHVOIDNHBBPY-AWEZNQCLSA-N 348.406 4.040 0 50 EIAA c1ccc(Cn2cccn2)c(CN2CCCC[C@@H]2c2nccs2)c1 216519639 LOVBQYNSRHQRTN-GOSISDBHSA-N 338.480 4.115 0 50 EIAA 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CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 201148 UVBKROMQBJINJM-UHFFFAOYSA-N 349.408 4.035 0 50 EIAA Cc1cc(C)c(CSc2nnc(-c3ccccc3O)n2C)c(C)c1 311352 MRKJFNBPRUUYHQ-UHFFFAOYSA-N 339.464 4.405 0 50 EIAA COc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3C)cc2c1 469403 QFYMNJFLRYIYCZ-UHFFFAOYSA-N 343.766 4.016 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 473775 BVFCTUBOCXXKFH-LJQANCHMSA-N 326.440 4.329 0 50 EIAA CCN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 1425201 OIXNLUWRQCBQAK-UHFFFAOYSA-N 325.433 4.051 0 50 EIAA CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc1 4912088 DFKVXOJOLQKMBS-INIZCTEOSA-N 339.435 4.363 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 5046938 YGSAREZRQXGFLB-UHFFFAOYSA-N 330.387 4.120 0 50 EIAA CCN(CC)C1=N[C@@H]2Nc3ccccc3N(CC)[C@@H]2[C@H]1c1ccccc1 6499468 FEAZVMDHAGNEQZ-NJYVYQBISA-N 348.494 4.171 0 50 EIAA C[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 13745064 HJULTMIQQUKODZ-SECBINFHSA-N 338.816 4.055 0 50 EIAA COc1ccc(-n2c(Cc3c[nH]c4ccccc34)n[nH]c2=S)cc1 33808202 PMVVWOXBPQMCRK-UHFFFAOYSA-N 336.420 4.011 0 50 EIAA Cc1nc([C@@H](C)N(C)Cc2cccn2-c2nccs2)c(C)s1 65375147 JNHDRFOJITXRQK-LLVKDONJSA-N 332.498 4.200 0 50 EIAA Clc1cccnc1NCc1cccnc1-n1cnc2ccccc21 67739480 ZDVBVFDCWWZUCO-UHFFFAOYSA-N 335.798 4.081 0 50 EIAA Fc1c(Br)cc(Br)cc1Br 138782487 CRHDGBZNQSKBRS-UHFFFAOYSA-N 332.792 4.113 0 50 EIAA Cc1nnc([C@H](C)OC(=O)c2cccc3c4c([nH]c23)CCCCC4)o1 170625762 DKADJYVLCJRQMK-NSHDSACASA-N 339.395 4.046 0 50 EIAA Cn1c(S[C@H]2CCCCc3ccccc32)nnc1-c1ccncc1 177179773 BIMAQYBTPSXPTR-KRWDZBQOSA-N 336.464 4.437 0 50 EIAA CC(C)Oc1cccc(CC(=O)N2Cc3ccccc3C3(CC3)C2)c1 184676972 RIXPHAUFJMOZIH-UHFFFAOYSA-N 335.447 4.090 0 50 EIAA Cc1cc(NC(=O)NCCCC[C@@H]2CCCO2)c(Cl)cc1F 299787957 UYRVMWOOEGVRDX-GFCCVEGCSA-N 328.815 4.258 0 50 EIAA O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nccs2)CC1 377510570 JWPJWXXTIMMONQ-UHFFFAOYSA-N 340.370 4.182 0 50 EIAA CCN(C(=O)C[C@@H]1CCOC1)[C@@H](c1ccccc1)c1ccc(F)cc1 408512946 GRVYLEDUTATSLS-KKSFZXQISA-N 341.426 4.190 0 50 EIAA Cc1ccc(-c2noc(C[C@H]3CCCOC3)n2)c(OC2CCCC2)c1 809427954 NFNJLNRMBOQEOY-OAHLLOKOSA-N 342.439 4.336 0 50 EIAA CCn1nc(C)c([C@@H](C)NC(=O)CCCc2ccc(Cl)cc2)c1C 823593461 WBJNUPIBRASGOI-CYBMUJFWSA-N 347.890 4.373 0 50 EIAA C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(C(F)F)nc1 850451792 GOSZYOYHLBVCSR-BLLLJJGKSA-N 334.366 4.360 0 50 EIAA CCCOc1c(Cl)cccc1NC(=O)C[C@@H](C)n1ccnc1C 1506412819 FEIDFYXZNLUZHW-GFCCVEGCSA-N 335.835 4.224 0 50 EIAA CCC(=O)c1cc(OC)c2oc(-c3ccccc3)c(CC(=O)O)c2c1 1848442783 JGDJRAZVVYOCIK-UHFFFAOYSA-N 338.359 4.328 0 50 EIAA Clc1cnccc1-c1noc([C@H]2CCCN2Cc2ccccc2)n1 1857531001 QXBWLXYJFNLHOT-MRXNPFEDSA-N 340.814 4.122 0 50 EIAA O=C(NC[C@H]1C[C@H]1c1cccs1)c1cc(-c2ccc(F)cc2)on1 1857799263 UCGRMTNQONRTOI-TZMCWYRMSA-N 342.395 4.076 0 50 EIAA CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@H]1[C@H]2C 2084292138 ABFSDSQOZYJGJO-FEBARNBZSA-N 347.455 4.320 0 50 EIAA Cc1ccncc1C(=O)Nc1ccc(OCc2ccco2)c(Cl)c1 2325736618 PBBBGVAPTXLDQS-UHFFFAOYSA-N 342.782 4.468 0 50 EIAA COc1cc([C@H]2CC[C@@H](OC(=O)c3ccncc3C)C2)cc(F)c1F 2325855471 BXGQHNRIGREQDS-GXTWGEPZSA-N 347.361 4.170 0 50 EIAA CC(C)c1nc(O)ccc1C(=O)N[C@@H](CC(C)(C)C)c1cccnc1 2356133980 QRRUXAOHHBDXQW-INIZCTEOSA-N 341.455 4.213 0 50 EIAA CCc1nc2snc(Nc3cccc(-n4cccn4)c3)c2cc1C 2356163053 QLQFETGEZXVOCH-UHFFFAOYSA-N 335.436 4.491 0 50 EIAA CCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC 55459 OGYZPWONPFHXSP-UHFFFAOYSA-N 344.367 4.193 0 50 EIAA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(C(=O)O)cc2)c1 133533 YLVWPINLMKSMQG-UHFFFAOYSA-N 341.407 4.008 0 50 EIAA Nc1c2c(nc3ccc(Br)cc13)N(C1CCCCC1)CC2 198578 BMOFDWJMFBXXDG-UHFFFAOYSA-N 346.272 4.275 0 50 EIAA O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 226303 ZMOJBMXRDLNHAM-GFCCVEGCSA-N 334.202 4.116 0 50 EIAA O=C(NC(=S)Nc1ccccc1F)c1ccc(Cl)c(Cl)c1 397754 PIKCJPRMBUKWAP-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA COc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 452558 MVBDTIBXSPQFTN-LBPRGKRZSA-N 335.856 4.146 0 50 EIAA Cc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c1O 453390 IUYBMIPFKFOFAC-NRFANRHFSA-N 346.382 4.482 0 50 EIAA Cc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)OCO2 587089 SSRRGKQBXMIRIW-UHFFFAOYSA-N 348.196 4.047 0 50 EIAA NC(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 1400037 TURPWZFZBYFPPS-UHFFFAOYSA-N 331.681 4.037 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 2065098 UCGIAGQSHHYVBL-UHFFFAOYSA-N 347.798 4.168 0 50 EIAA CCOC(=O)c1ccc(NC(=O)/C(Cl)=C\c2ccccc2)cc1 4466048 AXLAIGLUQMKDLK-FOWTUZBSSA-N 329.783 4.082 0 50 EIAA CCc1cc(C)cc(OCc2nnc(S)n2-c2ccccc2)c1 5686743 BKKWJVRBKCXDMO-UHFFFAOYSA-N 325.437 4.006 0 50 EIAA c1ccc(COc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1 6698051 IYVDSDSDTPUXJV-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA Fc1cccc(F)c1CC[C@H]1CCCN(CCc2ccccn2)C1 72123874 JDISSOVVDULLOW-MRXNPFEDSA-N 330.422 4.247 0 50 EIAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 100652208 UZFDRFFDCWYPFY-SLUIBLPYSA-N 347.414 4.323 0 50 EIAA C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1nc(C2CCCCC2)no1 127281605 WXDFZQKTGAJHSV-KBPBESRZSA-N 327.428 4.098 0 50 EIAA O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(C(F)(F)F)c1 140781057 OSWBRYKWBOQDHI-UHFFFAOYSA-N 343.688 4.309 0 50 EIAA CC(C)c1nc(C(=O)N(C)Cc2ccccc2-c2ccccc2)c[nH]1 170638205 IUIFKLLVRDLFDO-UHFFFAOYSA-N 333.435 4.472 0 50 EIAA CCCN1Cc2cccc(NC(=O)c3ccccc3SC)c2C1 171309547 KPKQVVCUNALDJT-UHFFFAOYSA-N 326.465 4.386 0 50 EIAA c1csc([C@H](Nc2ccc(N3CCCCC3)cn2)c2ncc[nH]2)c1 195094163 QUXZIBAIZJXVQA-KRWDZBQOSA-N 339.468 4.058 0 50 EIAA CCOc1ccc(NC(=O)Nc2ccc(-n3cccn3)cc2C)cc1 242273701 YFEVZARFMIKMFE-UHFFFAOYSA-N 336.395 4.223 0 50 EIAA O=C(/C=C/c1ccc2c(c1)CCO2)N1CCCCC[C@@H]1c1ccco1 303881513 QZXGKTHJXRIKKB-XSFOEPMVSA-N 337.419 4.372 0 50 EIAA Cc1cc(F)ccc1-c1cccc(C(=O)NCCC[C@H]2CCOC2)c1 426683742 FQWKFYUORXZAGD-INIZCTEOSA-N 341.426 4.348 0 50 EIAA Cc1nc(-c2ccc([C@@H]3CCCO3)s2)n(Cc2ccccc2)n1 670456697 YZXVDUINDYKIDG-HNNXBMFYSA-N 325.437 4.215 0 50 EIAA C/C=C(\C)C(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 770457897 YXNVEWRMAWWQPG-MTDDYQMPSA-N 339.222 4.441 0 50 EIAA CCc1nc2cc(NC(=O)c3ccc(C)n3C(F)F)ccc2n1CC 952987454 MFZSCMYUGNZTMU-UHFFFAOYSA-N 346.381 4.376 0 50 EIAA CC(=O)N1c2ccccc2C(COc2ccccc2C=O)=CC1(C)C 1857526081 JDUTVJZAENDOSB-UHFFFAOYSA-N 335.403 4.107 0 50 EIAA N[C@H]1CCCC12CCN(C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)CC2 1875292377 GHWOBNUDKQFAFB-AQNXPRMDSA-N 340.511 4.080 0 50 EIAA Cc1ccc(S(=O)(=O)N(c2c(C)cccc2C)C(F)F)cc1 307750 ORFBITGIBWBHNH-UHFFFAOYSA-N 325.380 4.030 0 50 EIAA O=Cc1cc(Br)ccc1OC(=O)c1cccc(Cl)c1 316923 SQKYAAVHSAHEDR-UHFFFAOYSA-N 339.572 4.134 0 50 EIAA Cc1ccc(-c2csc(NC(=O)COc3ccc(F)cc3)n2)cc1 463124 GQRKQGSIFPVQRW-UHFFFAOYSA-N 342.395 4.275 0 50 EIAA CC(C)COc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 469466 CRANKYFWKSGYOT-UHFFFAOYSA-N 327.468 4.276 0 50 EIAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccccc1F 2762777 NEFKDSFPGZIIDC-UHFFFAOYSA-N 341.361 4.079 0 50 EIAA CC[C@H](C)c1ccc(OCCCn2cnc3ccccc3c2=O)cc1 3461026 QGIAPDIXIDHOJM-INIZCTEOSA-N 336.435 4.379 0 50 EIAA O=C1CC[C@H](CCNCc2ccc(F)cc2)N1C1CCCCCCC1 11872710 GHBUSUCDSRWZHQ-HXUWFJFHSA-N 346.490 4.409 0 50 EIAA CCCNC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 12404138 FVDWUWLTUMDQLP-UHFFFAOYSA-N 331.803 4.124 0 50 EIAA CCCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 13744238 MWQILTSFTAENKZ-UHFFFAOYSA-N 336.479 4.218 0 50 EIAA O=C(NCc1cccc2[nH]ccc12)Nc1ccnn1C[C@@H]1CC=CCC1 96164131 LPIDUOMUQRVCGH-OAHLLOKOSA-N 349.438 4.042 0 50 EIAA O=C(O)[C@@H](CCCC(F)(F)F)Cc1cccc(Br)c1 133933082 DGHZZJYVAQASRA-JTQLQIEISA-N 339.151 4.425 0 50 EIAA CC(=O)N(Cc1ccc(NCc2c(F)cccc2F)cc1)C(C)C 150953718 TYGRIHOYSIGNBO-UHFFFAOYSA-N 332.394 4.334 0 50 EIAA CC(=O)c1ccc(F)cc1NC(=O)c1sccc1Br 184864999 SHSQGLBPRHRABA-UHFFFAOYSA-N 342.189 4.105 0 50 EIAA Cc1cnccc1CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 188314004 RFMCAONEOVMIJX-FQEVSTJZSA-N 335.451 4.142 0 50 EIAA COC[C@H]1CCC[C@H]1NC(=O)CCc1ccc(-c2ccccc2)cc1 223675314 OIDPXBLKPLAELC-NHCUHLMSSA-N 337.463 4.218 0 50 EIAA O=C(NCCF)c1ccc(CSc2nc3ccccc3s2)cc1 225496707 QVHGQXCSXCFGFR-UHFFFAOYSA-N 346.452 4.288 0 50 EIAA CN(CCO)Cc1cc(NCc2ccc(Cl)s2)ccc1Cl 225836188 IRUJBQPGRBLBSU-UHFFFAOYSA-N 345.295 4.091 0 50 EIAA O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@@H]1CC12CCNCC2 238121922 GTKYYKZFLPERDL-SFHVURJKSA-N 346.430 4.428 0 50 EIAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(OC[C@H]2CCCO2)c1 247878993 UZPJQMKWIOVIIQ-IUVQAAGXSA-N 329.440 4.009 0 50 EIAA CC1CCN(Cc2ccc(NC(=O)C[C@@H](O)CC(C)(C)C)cc2)CC1 253431822 UDYBVQQXIHJJMC-LJQANCHMSA-N 346.515 4.044 0 50 EIAA CC(C)c1ccc(-c2nc(-c3cccc(-n4ccnc4)n3)no2)cc1 762204159 WYLWVMMDJJQBBR-UHFFFAOYSA-N 331.379 4.108 0 50 EIAA O=C(Nc1ccccc1OCCCc1ccccc1)C1CCOCC1 827763918 XCECUAFKPQWPQC-UHFFFAOYSA-N 339.435 4.063 0 50 EIAA Fc1ccc(OC[C@@H]2CCCO2)c(-c2cccc3nsnc23)c1 952847880 BHJLKRHJZLUPGQ-LBPRGKRZSA-N 330.384 4.055 0 50 EIAA CC(C)(C)c1ccc(C(=O)CCCN2CC[C@@H]3NCCC[C@@H]3C2)cc1 1857711290 RODANVNUPXQZJJ-QUCCMNQESA-N 342.527 4.021 0 50 EIAA O=C(OCc1c(Cl)cccc1Cl)c1cc2ccccc2oc1=O 618077 MLIAWESLSNYHGM-UHFFFAOYSA-N 349.169 4.457 0 50 EIAA Cc1ccccc1-c1noc(CCC(=O)Nc2cccc(C)c2C)n1 1063811 ZAFCCXGHEHPDQI-UHFFFAOYSA-N 335.407 4.233 0 50 EIAA O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1c1ccccc1 4456164 OMOHASILCPADTJ-SFQUDFHCSA-N 348.333 4.183 0 50 EIAA CCc1ccccc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 4485992 VTUQNAVKDNLIMU-UHFFFAOYSA-N 325.437 4.165 0 50 EIAA C[C@@H]1CN(C(=O)c2ccccc2SCc2ccccc2)C[C@@H](C)O1 4834582 ULLHRASTDCNIGW-HZPDHXFCSA-N 341.476 4.228 0 50 EIAA CSCCCN1CCOc2c(O)cc(-c3cccs3)cc2C1 14991127 YEGFYPXXHDWIEI-UHFFFAOYSA-N 335.494 4.068 0 50 EIAA COCCN(C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 15068960 MITNICREWJABLW-UHFFFAOYSA-N 349.478 4.234 0 50 EIAA c1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)nc1 19794563 YENWASZMJDZILZ-OAQYLSRUSA-N 329.403 4.304 0 50 EIAA CCc1ccc(CN(C)C(=O)c2[nH]c3c(C)cc(C)cc3c2C)nc1 92078336 FEHPVWQFQVBLRK-UHFFFAOYSA-N 335.451 4.323 0 50 EIAA CN(C[C@H]1CCCCO1)C(=O)Nc1cccc(SC(F)(F)F)c1 95500715 IJMSATNDXZDUMF-GFCCVEGCSA-N 348.390 4.331 0 50 EIAA Cc1cnn(C2CCCC2)c1NC(=O)N(C)Cc1cc(C(C)C)on1 97532134 MZINYNNYQXJSMS-UHFFFAOYSA-N 345.447 4.082 0 50 EIAA C[C@H]1CCCN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)C1 169680772 WHXMWXGPFQEMKH-JBMMNVDBSA-N 347.462 4.171 0 50 EIAA COc1cc2c(cc1CN[C@@H]1CCCC[C@H]1C(F)(F)F)O[C@@H](C)C2 229733197 KNQCITVAWDNUOT-NILFDRSVSA-N 343.389 4.229 0 50 EIAA Cc1ccc(Cn2c[n+](Cc3ccc(F)cc3)c3ccccc32)cc1 261490722 XDGSANZPMLUOKY-UHFFFAOYSA-N 331.414 4.473 0 50 EIAA Cc1c([C@@H](NCc2cn(C(C)C)nn2)C(C)C)oc2ccccc12 289701659 KQCUPEQQENRGOR-SFHVURJKSA-N 326.444 4.401 0 50 EIAA O=C(c1cscc1-c1ccccc1)N1CCC(OCC2CC2)CC1 377891294 AJQDJYWHFHSXOR-UHFFFAOYSA-N 341.476 4.446 0 50 EIAA CCOc1cc(C(N)=O)ccc1OCc1c(Cl)cccc1Cl 409416651 KVSONKJSKQCJQR-UHFFFAOYSA-N 340.206 4.070 0 50 EIAA Cc1ccnc2ccc(C(=O)N(C)c3cc(-c4ccccc4)[nH]n3)cc12 1875255478 CVOWTWCLDBZFII-UHFFFAOYSA-N 342.402 4.210 0 50 EIAA Cc1coc2ccc(NC(=O)NCc3ccc(CN(C)C)s3)cc12 2325769462 GKHXWZLPBXQFEU-UHFFFAOYSA-N 343.452 4.186 0 50 EIAA CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1 56587 AGGRGODMKWLSDE-UHFFFAOYSA-N 334.485 4.490 0 50 EIAA in-vitro COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 104482 YJNKDFDUTXAYNJ-FQEVSTJZSA-N 330.387 4.466 0 50 EIAA COc1ccccc1Cc1noc(COc2cccc3ccccc23)n1 259644 JXUATQVQSAJSSD-UHFFFAOYSA-N 346.386 4.401 0 50 EIAA Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(Cl)cc3)C2)cc1 1414085 GJPMHQYGBHVAIX-MRXNPFEDSA-N 329.856 4.043 0 50 EIAA CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 4840138 DDUQRBXGZUDEKI-UHFFFAOYSA-N 330.815 4.074 0 50 EIAA CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 5051508 BYLDBWHPCZAAHK-UHFFFAOYSA-N 330.387 4.216 0 50 EIAA CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 10287295 CAMUXIGPJVSTFG-CYBMUJFWSA-N 326.396 4.075 0 50 EIAA OC[C@@]1(Cc2ccccc2)CCCN(Cc2cccc3cccnc23)C1 12297572 NZLDOEGINURESY-HSZRJFAPSA-N 346.474 4.052 0 50 EIAA C[C@@H]1CCCCN1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 14193806 UQQJOQYYLGMZDC-GFCCVEGCSA-N 349.887 4.276 0 50 EIAA Cc1ccc(C)c([C@H](NC(=O)c2ccccc2F)c2cccnc2)c1 15839871 RLCNFDFYONHOQC-HXUWFJFHSA-N 334.394 4.357 0 50 EIAA Cc1cc(-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)cc(C)n1 20538062 HZMZEAHNVDTDIG-UHFFFAOYSA-N 343.434 4.011 0 50 EIAA O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Br)s1 71214728 FHBRCFYLWUIGMG-UHFFFAOYSA-N 337.242 4.121 0 50 EIAA in-vitro COC1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1 71766925 WLPOQACKODSWMA-AZWPUGGCSA-N 342.479 4.474 0 50 EIAA COCCC[C@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 77456525 SIDDZSXCBCLAFZ-QGZVFWFLSA-N 331.504 4.163 0 50 EIAA COC[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C 96137001 ITJSAKXQLVLIRP-ZDUSSCGKSA-N 340.851 4.160 0 50 EIAA CC(=O)c1cc(CC(=O)N2CCC[C@H]2c2ccccc2C)cs1 97775667 BUMGYNXEJRWRKC-KRWDZBQOSA-N 327.449 4.165 0 50 EIAA CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 100717291 CVTXGQVFZVMYEC-INIZCTEOSA-N 338.411 4.195 0 50 EIAA COCc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1F 121113589 YJZJMCDQXWZIGE-KRWDZBQOSA-N 331.387 4.323 0 50 EIAA Cc1nc(CN[C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)no1 184944501 UPJKSIHYSHYVEV-SECBINFHSA-N 348.859 4.314 0 50 EIAA C[C@H](N[C@@H](c1nccs1)C1CC1)c1ccc(Br)o1 192903536 LFNIXJMWPSWJLE-QPUJVOFHSA-N 327.247 4.301 0 50 EIAA CC[C@@H](OC(=O)c1ccc(Br)o1)c1ccnc(Cl)c1 240225424 DHSFWSUGGADFDQ-SECBINFHSA-N 344.592 4.399 0 50 EIAA Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)c2)cs1 252670814 LSXSSVCSNNMGSR-VNHYZAJKSA-N 329.469 4.145 0 50 EIAA C[C@H](Nc1cc(C(F)F)nc2ccc(Cl)cc12)c1ncnn1C 289780681 WWUHBQPXJOGVCN-QMMMGPOBSA-N 337.761 4.127 0 50 EIAA CC(C)C1(C)CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 330312664 OJCHHSMCBCGYMQ-UHFFFAOYSA-N 339.439 4.167 0 50 EIAA Cc1c(C2CCCCC2)noc1NC(=O)c1cncc(OC(C)C)c1 332718046 WKKNVSVLTQRKEG-UHFFFAOYSA-N 343.427 4.465 0 50 EIAA CC(C)c1nnc([C@H]2COCCN2C2CCC(C(C)(C)C)CC2)o1 374994407 JFSCOWYZBGIEAI-UYSNPLJNSA-N 335.492 4.171 0 50 EIAA CC(C)N(C(=O)c1ccccc1-c1cnc(N)c(Cl)c1)C(C)C 426544634 FBQPBSBTJAUZLE-UHFFFAOYSA-N 331.847 4.243 0 50 EIAA CCSc1ccccc1NC(=O)C1CCN(Cc2ccco2)CC1 952871724 CKVJZWXHHCLKRY-UHFFFAOYSA-N 344.480 4.242 0 50 EIAA CC[C@H](c1ccc(N)cc1)[C@H](CC)c1ccc(S(=O)(=O)O)cc1 2299912195 JWAHHMRQTMJQAJ-QZTJIDSGSA-N 333.453 4.203 0 50 EIAA Cc1ccn2c(CNCc3csc(C(F)(F)F)c3)cnc2c1 2325758171 VORAMCPUDIACSR-UHFFFAOYSA-N 325.359 4.013 0 50 EIAA CSc1ccc(CCCC(=O)OCCc2ccncc2F)cc1 2325854477 GGMJVOYJCTVJPU-UHFFFAOYSA-N 333.428 4.051 0 50 EIAA COc1ccc(-c2ccc(-c3nccn3C[C@@H](C)OC)s2)cc1F 2356146161 UZYVTQWDPSHQMO-GFCCVEGCSA-N 346.427 4.461 0 50 EIAA CCO[C@]1(C)C(=O)c2ccccc2N1Nc1ccccc1C(=O)CC 78692 OFXGCVBGXKIUNO-HXUWFJFHSA-N 338.407 4.062 0 50 EIAA COC(=O)c1scc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 82082 NGSFDYBIHIRFEG-UHFFFAOYSA-N 331.437 4.393 0 50 EIAA CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1 275242 KZFUMWVJJNDGAU-UHFFFAOYSA-N 347.418 4.193 0 50 EIAA biogenic CN(C)CC(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 394250 UGIJYMCHZFLGRU-UHFFFAOYSA-N 339.222 4.286 0 50 EIAA CC(C)COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 454005 USTWQZIXLLZCKU-QGZVFWFLSA-N 325.452 4.473 0 50 EIAA CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12 1225992 KUOGOBFNEMDHFE-IBGZPJMESA-N 347.414 4.200 0 50 EIAA COc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1C 2837014 AHADDMWPSIVRIF-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA CCCc1ncc([C@@](O)(c2ccccc2)c2cc(C)ccc2C)n1C 4663982 PLRIJQYABADXAE-JOCHJYFZSA-N 334.463 4.274 0 50 EIAA CCN(C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 4833696 TZDKZTJKHMUBFV-OAHLLOKOSA-N 346.298 4.388 0 50 EIAA O=c1c(Oc2ccccc2Br)coc2cc(O)ccc12 5731326 CAUVAHLBBURONH-UHFFFAOYSA-N 333.137 4.053 0 50 EIAA biogenic C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 6678010 LXUFZDKBJGDCHM-LBPRGKRZSA-N 339.395 4.118 0 50 EIAA Cc1ccc(C)c(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)c1 6767422 GIXUTTQGVXDIJX-UHFFFAOYSA-N 342.801 4.368 0 50 EIAA Cc1oc(-c2ccc(F)cc2)nc1CN(C)[C@H](C)c1nccs1 11934005 OLKZCNWBQSKZAQ-LLVKDONJSA-N 331.416 4.439 0 50 EIAA CCCc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccccc1 12274053 TYTXZAMBLOSSJD-UHFFFAOYSA-N 340.814 4.126 0 50 EIAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(Cl)cc4)cn1c23 33088858 KMFLACBMGDOPPB-LLVKDONJSA-N 338.794 4.024 0 50 EIAA CC(C)=CCN1CCN(CCC2=C(C)CCCC2(C)C)C[C@H]1CCO 38149455 KBOQGQJBPSLCKG-HXUWFJFHSA-N 348.575 4.238 0 50 EIAA CC(=O)c1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1 41148159 RQDXWVVVOHNWBQ-UHFFFAOYSA-N 332.407 4.176 0 50 EIAA CC(C)=C1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 101052929 KHKQQNDOVDMPPG-QHGPXBFDSA-N 345.442 4.115 0 50 EIAA C[C@H](Sc1nnc(-c2ccccc2O)[nH]1)c1nc2ccccc2o1 194589059 KRNXJWZFKUXSJQ-JTQLQIEISA-N 338.392 4.172 0 50 EIAA Cc1cnccc1NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 252480709 CDWOFJQIMKXMFU-CYBMUJFWSA-N 331.366 4.080 0 50 EIAA CC(C)c1ccc(-c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H]3C4)c2)nn1 299765249 KUYIVECLPMAUGD-PTSWNOGYSA-N 335.451 4.185 0 50 EIAA Cc1ccc(-c2cccnc2)cc1NC(=O)NCC(F)(F)C(F)F 374714769 JNULAZNKVAYVOX-UHFFFAOYSA-N 341.308 4.079 0 50 EIAA Cc1nc(C2(NCCSCc3ccccc3)CCCCCC2)no1 430753208 HEEQWNWCHLHBLC-UHFFFAOYSA-N 345.512 4.451 0 50 EIAA Cc1csc([C@H](C)NC(=O)N[C@@]2(c3ccccc3)CC2(C)C)n1 663952369 VXGYHWQBYAUTJQ-SCLBCKFNSA-N 329.469 4.137 0 50 EIAA Cc1ccccc1NC(=O)CCN[C@H](C)CCc1c[nH]c2ccccc12 821175193 FJSHCGXMXBCWBG-QGZVFWFLSA-N 349.478 4.416 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cc(Cl)cc(Cl)c1)C2 1704337022 QJLCMMDNAUVOOT-WBVHZDCISA-N 342.266 4.415 0 50 EIAA Cc1ccc(-c2nc(-c3ccn(C(C)(C)C)c3)n([C@@H]3CCOC3)n2)o1 1772807572 PHWYFNGDBYNAAA-OAHLLOKOSA-N 340.427 4.031 0 50 EIAA Cc1cccc(Cl)c1-c1nccn1[C@@H]1CCOC2(CCOCC2)C1 1857728305 WJRXDJFRLSEFAX-OAHLLOKOSA-N 346.858 4.413 0 50 EIAA O=c1cc(-c2ccccc2)ncn1Cc1ccc(F)c(C(F)(F)F)c1 2325821562 YSHSWRDWUAQVJK-UHFFFAOYSA-N 348.299 4.117 0 50 EIAA COc1ccccc1[C@@H](O)c1nc2ccccc2n1Cc1ccccc1 266690 BQBITIRKQSSNFH-OAQYLSRUSA-N 344.414 4.175 0 50 EIAA CC(C)OC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 371684 IQHRMTMCKBIZFH-UHFFFAOYSA-N 329.421 4.054 0 50 EIAA O=C(Nc1ccc(Cl)cc1Cl)OCc1ccc2c(c1)OCO2 396218 AQQSLTBESBZRDU-UHFFFAOYSA-N 340.162 4.471 0 50 EIAA Cc1ccc(C(C)C)c(OCCn2c(=O)oc3ccc(C)cc32)c1 610469 GQXUVRYICOKHND-UHFFFAOYSA-N 325.408 4.414 0 50 EIAA O=C(Nc1nncs1)c1sc2cc(Cl)ccc2c1Cl 1053383 ZHCINPLNPROYAP-UHFFFAOYSA-N 330.221 4.312 0 50 EIAA CCSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2s1 2328295 RGNZILPUYZWQIP-UHFFFAOYSA-N 342.445 4.021 0 50 EIAA Clc1cc(Br)ccc1OCCNCc1ccccc1 2823697 IUQGQZIHDSVEHO-UHFFFAOYSA-N 340.648 4.271 0 50 EIAA CCCCOc1ccc(C(=O)NCCOc2ccccc2Cl)cc1 2873326 HDDLXYUIMZODHS-UHFFFAOYSA-N 347.842 4.328 0 50 EIAA C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)ON1C 3125700 LJAMJJBEGUHOSV-CXAGYDPISA-N 345.830 4.138 0 50 EIAA O=C1OCC(c2ccccc2)=C1c1ncc(C(F)(F)F)cc1Cl 4073427 GFKHBMLTCNLWSX-UHFFFAOYSA-N 339.700 4.221 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1 6741395 AOLWEGDAALZQCW-UHFFFAOYSA-N 333.391 4.467 0 50 EIAA Fc1cccc(F)c1-c1cn[nH]c1[C@H]1CCCN(Cc2ccoc2)C1 20919893 ROZVVIDFSRLQBJ-AWEZNQCLSA-N 343.377 4.328 0 50 EIAA Cc1ccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nn1 67613113 QHKIPVWMFSAZDH-UHFFFAOYSA-N 338.798 4.434 0 50 EIAA c1cn(-c2ccc3cn[nH]c3c2)c(-c2ccc([C@@H]3CCCO3)s2)n1 67678944 ZZMCOQFOCLXHHM-HNNXBMFYSA-N 336.420 4.329 0 50 EIAA c1ccc2sc(N3CCC(c4nccn4CC4CC4)CC3)nc2c1 82121667 JCEHNVROAVFUAW-UHFFFAOYSA-N 338.480 4.287 0 50 EIAA Nc1cc(Br)ccc1-c1ccc(Br)cc1N 86012961 KZDMFBDNQPKWNM-UHFFFAOYSA-N 342.034 4.043 0 50 EIAA in-vitro CN(Cc1cccc2cnccc12)C(=O)C1(c2ccc(F)cc2)CC1 91469046 UHBVLTFREBMMIY-UHFFFAOYSA-N 334.394 4.064 0 50 EIAA CC(C)Cn1ccnc1CN[C@H]1CCCOc2cc3c(cc21)CCC3 122476084 LUTCHGWVLCGNNS-IBGZPJMESA-N 339.483 4.031 0 50 EIAA Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCc2cc(C(C)C)no2)c1 134755664 RARGQLBINRZYLZ-IBGZPJMESA-N 341.455 4.462 0 50 EIAA O=C(NCc1cc2ccccc2o1)Nc1cnc(-c2ccccc2)nc1 170594787 BRRQXJCXVSGWSS-UHFFFAOYSA-N 344.374 4.212 0 50 EIAA NCc1cc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)co1 187289995 RYBMUEAOZZLHJL-HXUWFJFHSA-N 346.386 4.004 0 50 EIAA C[C@@H](c1ccc(CN(C)Cc2ccccc2CN(C)C)cc1)N(C)C 215201587 LTEYKKQVMWWNRW-SFHVURJKSA-N 339.527 4.003 0 50 EIAA Fc1cc(CN2CCC(OCc3ccccn3)CC2)ccc1Cl 216020753 ATVAJIZAUZRYAV-UHFFFAOYSA-N 334.822 4.055 0 50 EIAA CC(C)c1ccoc1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 253416605 QVCOWQTWPGPDSE-UHFFFAOYSA-N 349.452 4.228 0 50 EIAA Fc1ccc(-c2csc(N3CCC[C@@H](N4CCCC4)C3)n2)cc1 301992755 QVZRBOQFJFAUAU-MRXNPFEDSA-N 331.460 4.014 0 50 EIAA O=C(c1cc2ccccc2s1)N1CCC(c2nccs2)CC1 370775908 VGIODPCOLWBMRS-UHFFFAOYSA-N 328.462 4.378 0 50 EIAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cncc(C(C)C)c1 888238374 NDPWTEBEOMFYHB-CYBMUJFWSA-N 345.468 4.116 0 50 EIAA C[C@H](c1ccccc1)N(C(=O)c1ccnn1C1CCC1)c1ccccn1 906110939 ICETVPYBNAUTRX-MRXNPFEDSA-N 346.434 4.411 0 50 EIAA CC(=O)O[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 1500997237 BBOKJENTPRWCBO-XGFHXOJWSA-N 334.500 4.322 0 50 EIAA Cc1ccc([C@H](C)n2ccnc2-c2ccnn2-c2ccccc2)cn1 1857685359 SHZYOXBOONIFIM-INIZCTEOSA-N 329.407 4.049 0 50 EIAA O=C(Nc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc(C(F)(F)F)cc1 1875247131 XPEAYNHPPJYPIB-UHFFFAOYSA-N 349.287 4.487 0 50 EIAA Cc1nc(C)c([C@@H](C)NC(=O)NCc2cc3c(s2)CCCC3)s1 1875253522 XIZLHZGJKKHNKZ-LLVKDONJSA-N 349.525 4.261 0 50 EIAA CC(C)c1ccc(-c2csc(N3CCc4nccnc4C3)n2)cc1 2325866169 CGIFYYXISCCZIG-UHFFFAOYSA-N 336.464 4.286 0 50 EIAA CC[C@H](CC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1)C1CCC1 2325879812 IVEAETZFPGQZEE-GOEBONIOSA-N 331.456 4.193 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@@H](C)C2 89031 ATMZAMBLRZHMQT-SNVBAGLBSA-N 347.436 4.203 0 50 EIAA O=C1c2cc(Br)ccc2-c2ccc(Br)cc21 135201 CWGRCRZFJOXQFV-UHFFFAOYSA-N 337.998 4.423 0 50 EIAA in-vitro COc1cccc(C(=O)Oc2c(C)cc(Br)cc2C)c1 149573 ZOAZJMBEVMVGAF-UHFFFAOYSA-N 335.197 4.294 0 50 EIAA CC1(C)[C@H](C(=O)Nc2ccc3ccccc3c2)CC[C@]1(C)C(=O)O 190248 CLINVXMMKYZOKG-OXJNMPFZSA-N 325.408 4.305 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 239067 NKZHGVWUFZATPU-UHFFFAOYSA-N 348.490 4.444 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2C)cc1 397529 PDWLPNFBCHOOIE-UHFFFAOYSA-N 332.787 4.469 0 50 EIAA Cc1ccccc1OCC(=O)Nc1c(C)cc(Br)cc1C 452312 GNEFYNFGNIHGSE-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA Cc1ccc(C)c(C(=O)COC(=O)c2ccc(Br)cc2)c1 453281 LFIMWMJFAACQII-UHFFFAOYSA-N 347.208 4.106 0 50 EIAA CN(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 471991 ZIHQXWBHPHTLBE-UHFFFAOYSA-N 344.414 4.308 0 50 EIAA COc1cccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1OC 1059596 VEHCNYMSNUVVBG-INIZCTEOSA-N 333.387 4.331 0 50 EIAA Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 1207959 AMPJLEPJMJVDFK-UHFFFAOYSA-N 346.365 4.120 0 50 EIAA Cc1nn2c(N3CCCC3)c3c(nc2c1-c1ccccc1)CCCC3 2237896 XTMUCOHWBSAJAP-UHFFFAOYSA-N 332.451 4.184 0 50 EIAA Cc1ccc(O)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 3907690 NCHUOXHFMFHTQL-UHFFFAOYSA-N 328.755 4.261 0 50 EIAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1cccs1 4721129 NOLHRVJOKZYDSZ-UHFFFAOYSA-N 346.411 4.008 0 50 EIAA CC(C)(C)c1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1 15722421 CLGIJQBECRHKQV-LGMDPLHJSA-N 336.460 4.246 0 50 EIAA Cc1ccc(NC(=O)Cc2noc(-c3ccccc3Cl)n2)cc1C 16578949 KDQLQGGAFYDUSV-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA CCN(CC)[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 23374027 CEWHECCTAGHYFT-KRWDZBQOSA-N 347.890 4.220 0 50 EIAA CC(C)(C)OC(=O)n1ccc2cc(Br)nc(Cl)c21 38534093 ZTHJWXDIQUDVFC-UHFFFAOYSA-N 331.597 4.235 0 50 EIAA in-vitro CCOc1ccc(CC(=O)Nc2c(C)cnn2C(CC)CC)cc1 55212062 UGWMIBKRWUDPGG-UHFFFAOYSA-N 329.444 4.133 0 50 EIAA FC(F)(F)c1ccc2[nH]c(-c3ccc(Br)nc3)nc2c1 144055130 GWUOSTSOCYGODX-UHFFFAOYSA-N 342.118 4.406 0 50 EIAA CC(=O)c1csc(C(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)c1 170069974 PSKLMDZOHRIWCC-HNNXBMFYSA-N 345.468 4.048 0 50 EIAA O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H](c1ccccc1)n1cccc1 253411882 PFQGZAPPMOAAJE-MRXNPFEDSA-N 345.324 4.130 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](N)(=O)c1ccc(N(C)C)cc1 263621487 OOJHUUWPPUDIFV-YMYXXHFHSA-N 338.432 4.007 0 50 EIAA Fc1ccc2[nH]cc(C3CCN(c4nnc(C(F)F)o4)CC3)c2c1 292909963 CJHPJSFMSNAEOE-UHFFFAOYSA-N 336.317 4.012 0 50 EIAA CCOC(=O)N[C@@H](Cc1ccccc1)c1csc([C@@H]2CCCO2)n1 408523985 OYVVJWLDHGYDKG-HOCLYGCPSA-N 346.452 4.025 0 50 EIAA CCOc1ccc(-c2nccn2CC[C@@H]2CCCOC2)cc1Cl 1857676471 IEDCZDQPQJYFFM-AWEZNQCLSA-N 334.847 4.419 0 50 EIAA C[S@](=O)c1ccc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1F 1875264544 MMDWAGMTZYTBNI-CYULLINESA-N 335.419 4.450 0 50 EIAA O=C1Nc2ccccc2C1=CNCC(c1ccccc1)c1ccccc1 2049309076 PRHZAVSESKVCCV-UHFFFAOYSA-N 340.426 4.401 0 50 EIAA FC(F)(F)c1noc(Cn2c(-c3ccccc3)nc3ccccc32)n1 2325821380 KBXRUDRDJBAENW-UHFFFAOYSA-N 344.296 4.153 0 50 EIAA Cc1c(CN2CCC[C@]23CCCN(C(C)C)C3=O)oc2ccccc12 2356162844 MKEPKMLHJSIBMM-OAQYLSRUSA-N 340.467 4.107 0 50 EIAA CCOC(=O)c1c(C)oc2c(F)c(C(F)(F)F)c(F)c(F)c12 300965 FNMAXERNSCKHHW-UHFFFAOYSA-N 326.192 4.354 0 50 EIAA biogenic C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2s1 306946 UKLQFIPWZBRUBP-JTQLQIEISA-N 332.812 4.356 0 50 EIAA C/C=C(\C)c1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 618200 LTLUTSGUDQFTNQ-YCRREMRBSA-N 339.873 4.346 0 50 EIAA CC(C)(C)c1cc(/C=C2\SC(=O)NC2=O)cc(C(C)(C)C)c1O 1493320 VMWQYEAAXYPFCW-LCYFTJDESA-N 333.453 4.311 0 50 EIAA CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C 1530769 XLMALTXPSGQGBX-GCJKJVERSA-N 339.479 4.276 0 50 EIAA biogenic,fda COc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(OC)cc1Cl 2069171 AJALOVWJXGIFRK-STQMWFEESA-N 331.799 4.099 0 50 EIAA COc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)n1ccnc1 4997715 OBJCXONGSPAMNV-UHFFFAOYSA-N 336.435 4.048 0 50 EIAA CCOc1ccc(Nc2cc(C)nc3ccc(C(=O)OC)cc23)cc1 5980332 FEAYFZPIUOIJEG-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)C[C@@H]2C)cc1 6714350 WHWUYWZTOTZVFY-AWEZNQCLSA-N 345.393 4.016 0 50 EIAA CCC(=O)N(Cc1cccc(OCc2ccccc2F)c1)C1CC1 12034715 MDCAJNRRFCARTE-UHFFFAOYSA-N 327.399 4.306 0 50 EIAA CN(C(=O)c1cccc(NC(=O)c2ccccc2F)c1)c1ccccc1 12404384 SGXQREFCGORHLN-UHFFFAOYSA-N 348.377 4.355 0 50 EIAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 17986678 KBSWKXKTLUQVDA-MDASCCDHSA-N 335.403 4.405 0 50 EIAA CC(C)c1ncc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)cn1 97742648 QLPUAKAUMZEZMH-GOSISDBHSA-N 335.455 4.204 0 50 EIAA CCCCOc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@H]3C2=O)cc1 100103852 POIXPRUCJNVKRG-HDICACEKSA-N 327.424 4.101 0 50 EIAA O=C(Cn1ccc2ccccc21)N[C@H]1CCCc2c1[nH]c1ccccc21 170622113 HJCDDLIVGFYOCG-IBGZPJMESA-N 343.430 4.316 0 50 EIAA Cc1nnc([C@@H](C)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)s1 366914599 WZNFTQQAWGWXJL-LLVKDONJSA-N 344.459 4.408 0 50 EIAA CCS[C@H](C)c1noc(Cc2nc(-c3ccccc3)oc2C)n1 408514079 KUTNQHYIVHCQKX-GFCCVEGCSA-N 329.425 4.438 0 50 EIAA O=C(c1cc2ccccc2c(=O)o1)N(CC(F)(F)F)c1ccccc1 408515026 MHZNJGOVIGTNFC-UHFFFAOYSA-N 347.292 4.002 0 50 EIAA Cc1cccnc1CCNC(=O)N1CCCC[C@H]1c1cccc(F)c1 426399248 PGGRKHJDKPZHFF-IBGZPJMESA-N 341.430 4.008 0 50 EIAA C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1nc(C(=O)O)cs1 652429382 NMIRGJPJIFWECU-MNOVXSKESA-N 338.860 4.119 0 50 EIAA Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1ccc(C(F)F)nc1 657941216 ZADCIDZBQVICSN-AWEZNQCLSA-N 347.409 4.337 0 50 EIAA Cc1cc2nc(N[C@H](C)c3c(F)cncc3F)c3ccccc3n2n1 804839557 MSPFKJJLWJDELG-LLVKDONJSA-N 339.349 4.037 0 50 EIAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(-c2ccc(C)o2)c1 1857671532 HDLMDHXQQSUSMR-DSKINZAPSA-N 339.435 4.021 0 50 EIAA O=S(=O)(Nc1ccc(F)c(Cl)c1)c1coc2ccccc12 1875359333 AQOYKVSTZOJBAG-UHFFFAOYSA-N 325.748 4.026 0 50 EIAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 150779 VMHWBFIKVYLAAB-QGZVFWFLSA-N 331.415 4.437 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1 342118 VOFSBOPAHFEVOO-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA O=C(NCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2oc1=O 434107 XOIYNPKBLLUCTA-UHFFFAOYSA-N 348.185 4.030 0 50 EIAA CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 453461 NELARAWHQUUMMT-UHFFFAOYSA-N 346.235 4.193 0 50 EIAA Cc1c([C@H](C)NC(=S)Nc2cc(Cl)ccc2Cl)cnn1C 2782197 WEGWMWBNUHRPAT-QMMMGPOBSA-N 343.283 4.083 0 50 EIAA O=C(COc1ccc(Br)cc1)c1c[nH]c2ccccc12 4857266 BJFKSFYGJPDTJV-UHFFFAOYSA-N 330.181 4.192 0 50 EIAA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1O 6519572 VIXXUZHVFLAEGH-UHFFFAOYSA-N 346.386 4.222 0 50 EIAA COc1ccccc1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 39307350 SIXZSFXOVTUIRR-UHFFFAOYSA-N 346.430 4.263 0 50 EIAA Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(NC2CCCC2)n1 48284530 VVSGTAPEYBNXRC-UHFFFAOYSA-N 333.439 4.301 0 50 EIAA Cc1nc(CCNC(=O)CC23CC4CC(CC(C4)C2)C3)sc1C 55225904 DQSSCHWGPCNXSL-UHFFFAOYSA-N 332.513 4.025 0 50 EIAA Cc1cc2c(cc1O)NC(=O)C[C@H]2c1ccc(Oc2ccccc2)nc1 65395126 FTGSGWLDWRXCOF-INIZCTEOSA-N 346.386 4.362 0 50 EIAA Fc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 100819376 ODAYXBPFOWIGTE-INIZCTEOSA-N 326.762 4.127 0 50 EIAA CC(C)(C)OC(=O)N1CC[C@H](c2cccc(Br)c2)C1 211620029 IVDOZFZZPLFGJK-LBPRGKRZSA-N 326.234 4.174 0 50 EIAA Cc1ccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)cc1C 252507360 WJCZKSFFYHIKAZ-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA Cc1cc(C)cc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 273329451 TXNMPJKWMVFOQI-VQTJNVASSA-N 341.426 4.435 0 50 EIAA Cc1nc(CC(C)C)c(NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)s1 287150572 PSGRIRPZUISUEC-OAHLLOKOSA-N 347.488 4.132 0 50 EIAA c1cnc2[nH]cc(-c3csc(-c4ccc5c(c4)OCCO5)n3)c2c1 351853976 QASOWWOLLHTPAZ-UHFFFAOYSA-N 335.388 4.125 0 50 EIAA CC(C)(C(=O)N1CCC[C@@H]1/C=C/c1ccccc1)C1CCOCC1 376562105 QCDQCUNXXCDIJB-GNISGLHKSA-N 327.468 4.144 0 50 EIAA CC[C@H](C)[C@H](NC(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 409413158 DTIMJGYGBDYIEF-KSSFIOAISA-N 336.439 4.150 0 50 EIAA CCCO[C@H](C)CNC(=O)c1ccc(-c2nccc3ccccc23)cc1 426746128 RFBIQBJZUDIVEE-MRXNPFEDSA-N 348.446 4.447 0 50 EIAA CCOc1nn(C)c2ccc(NC(=O)Nc3cc(C)ccc3C)cc12 675028625 VYYYKELOJKAAJW-UHFFFAOYSA-N 338.411 4.233 0 50 EIAA CC[C@H]1CC[C@@H](C)N(C(=O)c2ncccc2-n2ncc3ccccc32)C1 952845360 ALBSNDIWVIBUFM-CVEARBPZSA-N 348.450 4.071 0 50 EIAA Cc1ccc(-c2ccc(CN(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)o2)cc1 1704280426 ALRWKPXKCFYRBG-QGFMHUBQSA-N 325.452 4.236 0 50 EIAA COc1cc(C(C)=O)cc2c(CC(=O)O)c(-c3ccc(C)cc3)oc12 1848443118 VYSIZOPPMUBUMW-UHFFFAOYSA-N 338.359 4.247 0 50 EIAA C[S@@](=N)(=O)c1ccc(OCCCOc2ccc(Cl)cc2)cc1 1875280929 HFZQRPSKNWYOHU-JOCHJYFZSA-N 339.844 4.223 0 50 EIAA CCOc1ccc2nc(-c3ccc(NC(=O)N(C)C)cc3)sc2c1 2325731124 YHRTVIKTPBQLJB-UHFFFAOYSA-N 341.436 4.456 0 50 EIAA O=c1cc(-c2ccccc2)ncn1Cc1csc(C(F)(F)F)c1 2325821442 OYHWYPFRYBVNCM-UHFFFAOYSA-N 336.338 4.039 0 50 EIAA COc1ccc(N(CC2CC2)C(=O)Cc2cc(C)cc(F)c2)cc1 2325870397 WCPQFDCYVPUBCQ-UHFFFAOYSA-N 327.399 4.128 0 50 EIAA Cn1cc(CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C2CC2)cn1 2325879572 ZSJRQDSWXBJNDC-UHFFFAOYSA-N 349.409 4.031 0 50 EIAA COC(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 111624 NJMHHRNQJNSFTI-UHFFFAOYSA-N 330.723 4.259 0 50 EIAA biogenic Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)o1 205001 PJDQCOBHWQSBSN-UHFFFAOYSA-N 332.153 4.264 0 50 EIAA Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(-c2ccccc2)o1 308303 PCWZFXIPNGZCNM-UHFFFAOYSA-N 335.359 4.279 0 50 EIAA O=C(NC1CCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 425702 RTXLIYJWVAMJIT-UHFFFAOYSA-N 325.195 4.321 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Oc1ccc(Br)cc1 466843 IXMJLAJRNXEJTQ-UHFFFAOYSA-N 325.589 4.251 0 50 EIAA CC(C)C(=O)NCCc1nc2ccccc2n1CCC1CCCCC1 560830 ZINDADNBOCUNCM-UHFFFAOYSA-N 341.499 4.321 0 50 EIAA COc1ccc(C(=O)Oc2ccc3c(c2C)CCCC3)cc1OC 621645 IAOYEGXRNGOCFH-UHFFFAOYSA-N 326.392 4.110 0 50 EIAA CCCCCC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 1787058 MHMPOFXCANLSQG-CYBMUJFWSA-N 337.678 4.491 0 50 EIAA O=c1c2ccccc2ncn1CCOc1ccc(-c2ccccc2)cc1 1847998 XZZKSZKORULQSR-UHFFFAOYSA-N 342.398 4.143 0 50 EIAA Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1 4700623 FNTQSSOSKVXVBV-GOSISDBHSA-N 336.479 4.084 0 50 EIAA Fc1ccc(COc2ccc3ccccc3c2CNc2ncn[nH]2)cc1 5019152 RRCPXVLMIQGOHM-UHFFFAOYSA-N 348.381 4.288 0 50 EIAA COc1ccccc1Nc1ncnc2c1c(C)c(C)n2-c1cccnc1 5348886 IQDVGZFYOGYAIQ-UHFFFAOYSA-N 345.406 4.185 0 50 EIAA Cc1cc(SCC(=O)Nc2nccs2)nc2c(C)cccc12 12000306 VUXXTSGKTGLGLX-UHFFFAOYSA-N 329.450 4.039 0 50 EIAA CCN(CC)CCNC(=O)N1c2ccccc2Sc2ccccc21 12404224 QSJQKFPGHYDDTM-UHFFFAOYSA-N 341.480 4.341 0 50 EIAA Cc1cccc(N(O)C(=O)Oc2cccc(NC(=O)OC(C)C)c2)c1 22015127 XEEOTTTVAKNONB-UHFFFAOYSA-N 344.367 4.347 0 50 EIAA c1ccc(COc2cccc(-c3cn(C4CCCCC4)nn3)c2)nc1 91535241 JOCDYFIIMSDABP-UHFFFAOYSA-N 334.423 4.424 0 50 EIAA CC[C@H](C(=O)N(Cc1ccsc1)C1CCCCC1)n1cccn1 91562700 WWJFUHNFUBNXSZ-QGZVFWFLSA-N 331.485 4.257 0 50 EIAA CCCSc1ccccc1NC(=O)N[C@H](C)Cc1ccncc1 96179519 LHNNRKSTXPUDQB-CQSZACIVSA-N 329.469 4.336 0 50 EIAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2ccc3nsnc3c2)C1 101319890 CQAGVGCWZANQSU-YVEFUNNKSA-N 330.457 4.124 0 50 EIAA CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnc(S)o2)cc1 127876680 KLKCPMLNKXCYQH-HNNXBMFYSA-N 345.468 4.066 0 50 EIAA CN(C)C(=O)c1cccc(CNC(C)(C)c2cccc(Cl)c2F)c1 186888363 IOHRWDGNCVXBEF-UHFFFAOYSA-N 348.849 4.206 0 50 EIAA COC[C@H](C)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 191517753 WBEBSTZYOOAVBH-AWEZNQCLSA-N 346.496 4.033 0 50 EIAA C[C@H](C(=O)N1CC=C(c2ccc(F)cc2)CC1)n1cnc2ccccc21 193089336 HNBGDWUWVHZGJN-OAHLLOKOSA-N 349.409 4.052 0 50 EIAA Cc1cc(C)n2ncc(CN3CCC[C@@H](c4ccccc4C)C3)c2n1 216499480 SJMXBLOJSICKPF-GOSISDBHSA-N 334.467 4.034 0 50 EIAA O=C(NCCCCc1ccc(Cl)s1)[C@@H]1C[C@@H]1c1cccnc1 252500234 SPVFYESNXFYTHB-HUUCEWRRSA-N 334.872 4.039 0 50 EIAA C[C@H](c1nc(O)c2ccccc2n1)N1CCC[C@H]1c1ccsc1 253531055 HXWMAALAZFAZQD-WBMJQRKESA-N 325.437 4.295 0 50 EIAA Fc1cc(Br)c(Br)c(OC(F)(F)F)c1 263624872 UVIWIBICMBORNK-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA CCCc1c(NC(=O)[C@@H](C)c2cccnc2)cnn1-c1ccccc1C 277057560 JBLIBBKRSMMNPI-INIZCTEOSA-N 348.450 4.270 0 50 EIAA CO[C@@H](c1nc(CCCOc2cccc3ccccc23)no1)C1CC1 289067147 ZERINZVDBUPDOZ-LJQANCHMSA-N 338.407 4.332 0 50 EIAA CCc1oc(C(=O)N[C@@H](C)C2=CCCCC2)cc1CN1CCCC1 823570733 MIAUXDUNEADICK-HNNXBMFYSA-N 330.472 4.057 0 50 EIAA Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)n2ncnc21 925099391 WJCSJCFOMPAYRF-PVAVHDDUSA-N 338.480 4.227 0 50 EIAA C[C@@H](NCc1cnc2c(-c3ccccc3)cnn2c1)C1=CCCCC1 952873918 QQEZTRXEFUEBLP-MRXNPFEDSA-N 332.451 4.375 0 50 EIAA Cc1cccc(-n2cc(CN(C)[C@H](C)c3nc(C)sc3C)cn2)c1 952968165 IPCJHKZMMCIWSJ-CQSZACIVSA-N 340.496 4.447 0 50 EIAA COc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)cc1C 1875319326 XMZFLOLOHCCDBQ-UHFFFAOYSA-N 341.432 4.266 0 50 EIAA Cc1cc(-c2cc(Cl)cc(C)c2OC2CCNCC2)c(C)cn1 1875329993 NSCLHKDEYRXIRV-UHFFFAOYSA-N 330.859 4.458 0 50 EIAA CN(C(=O)c1csc(-c2ncccc2Cl)n1)C1(C)CCCC1 2325744371 ACLZHXWLGLQTEJ-UHFFFAOYSA-N 335.860 4.263 0 50 EIAA O=C(/C=C/c1cncs1)Nc1ccc(-n2cnc3ccccc32)cc1 2325748775 LRWSPZQFIFLGPB-MDZDMXLPSA-N 346.415 4.134 0 50 EIAA CC(C)(C)c1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1 34803 YITVNTKWKUCSCF-UHFFFAOYSA-N 347.422 4.014 0 50 EIAA CC(=O)Oc1ccc2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2c1 189002 ZEPYCDOISJALIA-UHFFFAOYSA-N 337.375 4.078 0 50 EIAA COc1ccc(OC)c(NC(=O)CSc2ccc(Cl)cc2)c1 379553 NTXUJHDNSXDJFH-UHFFFAOYSA-N 337.828 4.088 0 50 EIAA CC(=O)Nc1ccc2c(c1)Cc1c-2cc(Cl)c(NC(C)=O)c1Cl 398913 JZFFDBVYIQKCHZ-UHFFFAOYSA-N 349.217 4.481 0 50 EIAA Cc1ccc(C(C)C)c(OC(=O)Cn2c(=O)sc3ccccc32)c1 405471 LQJZZLHKRZVYFX-UHFFFAOYSA-N 341.432 4.100 0 50 EIAA COc1cc2c(cc1O)[C@@H](CCc1ccc(Cl)cc1)N(C)CC2 1998269 DSTWURHEHMZWEI-QGZVFWFLSA-N 331.843 4.216 0 50 EIAA in-vitro CCCCOc1ccc(OC(=O)Nc2ccc(OC)cc2OC)cc1 2173752 YPQCVABSXCDQLB-UHFFFAOYSA-N 345.395 4.494 0 50 EIAA Cc1cc(C)c(OCCCn2cnc3ccccc3c2=O)c(Cl)c1 2863133 CGJSTLUSSXWXCV-UHFFFAOYSA-N 342.826 4.136 0 50 EIAA O=C(CSc1ncnc2c1oc1ccccc12)c1cccs1 4301709 OFQHSVSIMICVEF-UHFFFAOYSA-N 326.402 4.413 0 50 EIAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)OCCO2 4504461 KKTCXUAQKSTMFO-UHFFFAOYSA-N 327.424 4.003 0 50 EIAA O=C(Nc1cccc(Cn2cccn2)c1)c1cc(F)c(F)cc1Cl 4750446 HMUFKNGQTTYTGE-UHFFFAOYSA-N 347.752 4.115 0 50 EIAA O=c1[nH]c(-c2ccc(OCc3ccccc3F)cc2)nc2ccccc12 4997716 RSSAOPSMMVVUBV-UHFFFAOYSA-N 346.361 4.308 0 50 EIAA O=c1[nH]c(-c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 5072882 SZSRWEWXSDVBAP-UHFFFAOYSA-N 328.415 4.472 0 50 EIAA C[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1 6698999 VVSIWXOUQGWQBU-VIFPVBQESA-N 331.641 4.366 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1ccc(CN2CCCCC2)cc1 6731023 NFMTUIFQPLPMEC-UHFFFAOYSA-N 327.403 4.456 0 50 EIAA C[C@@H](c1ccccc1)n1c(CCNC(=O)C(C)(C)C)nc2ccccc21 7546508 MLSSRHCCRFUSMP-INIZCTEOSA-N 349.478 4.350 0 50 EIAA CCCc1ccc(C(=O)N(C)CC2CCN(CC(C)C)CC2)cc1 20455763 QXYBRPVHMAQMRZ-UHFFFAOYSA-N 330.516 4.079 0 50 EIAA Fc1ccc(-c2n[nH]cc2CN(Cc2ccsc2)C2CC2)cc1 55211482 UZJAUEYABABZIA-UHFFFAOYSA-N 327.428 4.442 0 50 EIAA c1ccc(Cn2ccnc2-c2ccc([C@@H]3CCCCO3)s2)nc1 67642592 SDPCAMQHYNAKMC-HNNXBMFYSA-N 325.437 4.297 0 50 EIAA CC(C)N(Cc1ccccc1)C[C@H](O)Cc1ccc2ccccc2n1 71767408 LDPYHPSUJRODNP-OAQYLSRUSA-N 334.463 4.049 0 50 EIAA COc1ccc2c(c1)CC(C)(C)C/C2=C\CC1(C)C(=O)CCC1=O 71770357 UPPLNLFWWLEKPN-NTEUORMPSA-N 326.436 4.379 0 50 EIAA Oc1cccc(-c2ccc(-c3nc(Cc4ccccc4)no3)cn2)c1 72163027 APHKZOWUWDBUCY-UHFFFAOYSA-N 329.359 4.095 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@@H]1c1ccccn1 72424827 KRCGRRPOVRYERM-OAHLLOKOSA-N 329.469 4.337 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 132728573 KASHSFMMHQPVAQ-INIZCTEOSA-N 348.805 4.393 0 50 EIAA CC1(C)Cc2ccc(C(=O)N3CCC[C@]4(CC=CCC4)C3)c(O)c2O1 170626941 MENAOTRHNHJPPC-OAQYLSRUSA-N 341.451 4.068 0 50 EIAA Cc1ncsc1CCN[C@@H](c1cccc(Cl)c1)c1ccccn1 179070117 PKCHRUQDEUKPNS-SFHVURJKSA-N 343.883 4.422 0 50 EIAA O=C(CC[C@@H]1CCCCO1)N(Cc1ccsc1)c1cccnc1 193517032 YKNRCUNKYAVLNQ-KRWDZBQOSA-N 330.453 4.026 0 50 EIAA Fc1c(Br)cc(OC(F)(F)F)cc1Br 263623408 HDQFGKLNEHUGIX-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 333531701 QGHMYPVCVCBMAC-OKZBNKHCSA-N 344.503 4.089 0 50 EIAA CCc1onc(C)c1NC(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 421080332 DNZLOSKWKDDLNH-IBGZPJMESA-N 345.418 4.314 0 50 EIAA CC[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1F 764747343 HHCMMOAIRPEFBU-IRXDYDNUSA-N 325.786 4.393 0 50 EIAA CC(C)c1scnc1NC(=O)N1CCC[C@H]1c1ccc(O)cc1 931455477 YUDPJQOPIIORTN-AWEZNQCLSA-N 331.441 4.341 0 50 EIAA Cc1ccc([C@H](CC(F)(F)F)NCc2cnc3[nH]ccnc2-3)cc1 1775986396 ISQYGQOOYMBWDU-AWEZNQCLSA-N 334.345 4.001 0 50 EIAA COc1cnc(C)cc1C(=O)N1CCCCC[C@H]1c1cccc(F)c1 1857679021 QKYIZOBNQGRQCK-SFHVURJKSA-N 342.414 4.295 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N[C@H](C)c3nc(C)c(C)[nH]3)s2)o1 2325730976 KSZVBMWYKUKKBC-GFCCVEGCSA-N 329.425 4.147 0 50 EIAA O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(F)cc1 48540 IKMWWDMIVJQTHN-UHFFFAOYSA-N 345.395 4.252 0 50 EIAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C(=O)OC)cc1 359060 ZPJBBEDDHMJYNS-CQSZACIVSA-N 341.407 4.004 0 50 EIAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1c(C)cccc1C 361394 XXKSWETWJDNFDD-UHFFFAOYSA-N 348.855 4.092 0 50 EIAA Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(cc12)CCCC3 377330 RMYFMVGTJBNZOG-UHFFFAOYSA-N 341.411 4.149 0 50 EIAA COc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 433801 UYWJBYFBDVIUOF-UHFFFAOYSA-N 328.368 4.210 0 50 EIAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCC2)cc1 455027 GJTUKVRTKUVCTI-UHFFFAOYSA-N 345.446 4.474 0 50 EIAA Cc1cc(Nc2ccccc2C(F)(F)F)nc(-n2nc(C)cc2C)n1 494599 VVPQPQDIJWZNJJ-UHFFFAOYSA-N 347.344 4.350 0 50 EIAA Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 1002013 DSKMNQVYQXWPOT-CYBMUJFWSA-N 348.240 4.472 0 50 EIAA CCOc1ccc(N2C(=O)S/C(=C\c3ccc(C)o3)C2=O)cc1 1208232 KBCLZVDWGSRIKN-GDNBJRDFSA-N 329.377 4.228 0 50 EIAA CCCOc1cccc(C(=O)Nc2sc(CC)cc2C(=O)OC)c1 2750414 IOIZBUMOEFNMLA-UHFFFAOYSA-N 347.436 4.138 0 50 EIAA O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(Cl)c1 3003004 QIDBWAGVHNTILV-ZSOIEALJSA-N 331.780 4.287 0 50 EIAA C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1nccs1 4841897 IPIBGGXEZRHJOX-SNVBAGLBSA-N 347.490 4.386 0 50 EIAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 4991536 PZZKJZYWFMWDJO-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA O=C(NCc1ccccc1)c1cccnc1-c1nc2ccccc2s1 5427152 QJGJNIBUNIGZIK-UHFFFAOYSA-N 345.427 4.288 0 50 EIAA CCOC(=O)C1CCN(CCCOc2cccc(C(C)(C)C)c2)CC1 6703157 MFLKJEKZZPDPTF-UHFFFAOYSA-N 347.499 4.028 0 50 EIAA Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 6715756 UZTUJTJKFIWIHZ-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA O=C(O)CCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 25761644 VMLJRLMYIOMLFC-UHFFFAOYSA-N 326.783 4.210 0 50 EIAA in-vitro CC[C@H](C)N(Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 55245014 GDXYWPDMZSRMDA-KRWDZBQOSA-N 348.450 4.465 0 50 EIAA CC[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCC1CCN(C)CC1 55568974 MQKVADBLZGXTRV-GOSISDBHSA-N 330.516 4.244 0 50 EIAA c1ccc(-c2csc(-c3nccn3CCc3ccccn3)n2)cc1 67447206 MCGZNQFQPRLBBH-UHFFFAOYSA-N 332.432 4.311 0 50 EIAA Fc1cccc(F)c1CC[C@@H]1CCCN(Cc2nnc(C3CC3)o2)C1 72119570 ZXKLXUMTDGHMNJ-ZDUSSCGKSA-N 347.409 4.070 0 50 EIAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(O)C(C)=O)[C@]2(C)CC1 257355396 AMLZABRDYNLKCX-LYSZKAAZSA-N 344.495 4.410 0 50 EIAA O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc2[nH]ccc2c1 329339062 NMYJLSHGVTTWHY-LJQANCHMSA-N 348.450 4.287 0 50 EIAA CCc1cnccc1-c1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 420483919 BXUBWNDKGUCTFF-INIZCTEOSA-N 335.407 4.387 0 50 EIAA CCc1nccn1CCC(=O)N(Cc1sccc1C)C1CCCC1 823557233 HNZDTWZHFPSNIG-UHFFFAOYSA-N 345.512 4.177 0 50 EIAA Cc1cc2c(cc1O)CCN(c1nc(C(F)F)nc3ccccc13)C2 1875275985 ZFRIAJNQQWHVMS-UHFFFAOYSA-N 341.361 4.144 0 50 EIAA CC(CNC(=O)N1CC2(CCC2)C1)(c1ccccc1)c1ccccc1 1875335641 APXJNPOFFMNJRG-UHFFFAOYSA-N 334.463 4.188 0 50 EIAA O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCCc2scnc21 2325773562 XQBPHJLJZZFNFW-QEJZJMRPSA-N 346.883 4.279 0 50 EIAA Cn1c(Cc2ccccc2)cnc1CN[C@H]1CCCc2sccc21 2325777507 HZIRTFHGORTCIC-SFHVURJKSA-N 337.492 4.240 0 50 EIAA O=C(O)c1cc(-n2nc(C3CC3)cc2-c2ccc(F)cc2)ccc1F 2325817751 SKXADSZSQUVHFH-UHFFFAOYSA-N 340.329 4.393 0 50 EIAA COc1ccccc1Nc1ncc(F)c(Nc2ccccc2OC)n1 184195 JLNHPQLRAKTOOH-UHFFFAOYSA-N 340.358 4.120 0 50 EIAA c1ccc(Cc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 256974 JVILBDMHOAUOCG-UHFFFAOYSA-N 334.448 4.199 0 50 EIAA COc1ccc(CNc2ccc(C)cc2Br)cc1OC 293472 LSGSVYPQKBZSHJ-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Br)o1 462233 UZQDGKQGCUZNHO-UHFFFAOYSA-N 336.229 4.483 0 50 EIAA Brc1ccc(-c2noc(CCc3ccccc3)n2)cc1 468639 CJXSDDWCGWOEPN-UHFFFAOYSA-N 329.197 4.284 0 50 EIAA COc1ccc(CNC(=O)c2sc3ccccc3c2Cl)cc1 476024 GWJXZBIXJZBIFD-UHFFFAOYSA-N 331.824 4.493 0 50 EIAA CCOc1ccc(NC(=O)CCc2cccc(OC)c2Cl)cc1 4542832 XHIZYZVOJFOSRS-UHFFFAOYSA-N 333.815 4.319 0 50 EIAA CCCN(Cc1cc(Br)c(OC)cc1OC)CC1CC1 4988625 GLQROGMOZWQQMM-UHFFFAOYSA-N 342.277 4.088 0 50 EIAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2cccc(O)c2)C1 12300066 RGFSVZWCNHXBLS-MRXNPFEDSA-N 329.827 4.141 0 50 EIAA c1cncc(CN(CC2CC2)C[C@@H]2CCCN(C3CCCCC3)C2)c1 12320875 SFPJFERMKJCDCN-NRFANRHFSA-N 341.543 4.338 0 50 EIAA CC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)c1cccnc1 12382850 LDEXCPCDMOUZOA-UHFFFAOYSA-N 332.425 4.084 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccon1 15062700 KKYLFIWTKCZYAO-SFHVURJKSA-N 340.810 4.166 0 50 EIAA CC(C)Oc1ccc(C(=O)Nc2cccc(CN3CCCC3)c2)cc1 43808890 LWAWRLIYBPASPL-UHFFFAOYSA-N 338.451 4.322 0 50 EIAA Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 51498734 YCGLVVANDSNOQD-UHFFFAOYSA-N 330.387 4.500 0 50 EIAA OCCn1cnc(-c2ccccc2)c1-c1ccc(C(F)(F)F)cc1 65393450 DIGPEXOWBFHMGE-UHFFFAOYSA-N 332.325 4.228 0 50 EIAA c1ccc2[nH]c(C3CCC(Cn4ccnc4-c4ncc[nH]4)CC3)nc2c1 72423810 RRFRBJISQRASGA-UHFFFAOYSA-N 346.438 4.124 0 50 EIAA O=C(Cc1ccccc1)[C@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 72447792 UEQXIIHLXOAPPX-FQEVSTJZSA-N 332.447 4.192 0 50 EIAA Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3cccc(F)c3)cn12 77353816 NRFMYEFBLSGVID-SFHVURJKSA-N 337.398 4.149 0 50 EIAA CCN(CC)C[C@@H]1CCCN1C(=O)c1[nH]c2c(C)cc(C)cc2c1C 92077948 ZGXZWJAYCQKTCS-KRWDZBQOSA-N 341.499 4.040 0 50 EIAA CCCSc1ccccc1NC(=O)N[C@H](CC)c1nc(C)c[nH]1 96132591 RTXXMCWHZAHVRF-CYBMUJFWSA-N 332.473 4.493 0 50 EIAA O=C(CC1CCC2(CC1)OCCO2)N1CCCCC[C@H]1c1ccco1 170607150 LTZGCPHUDDIGAG-KRWDZBQOSA-N 347.455 4.047 0 50 EIAA CC1(C)CN(C(=O)Nc2cnn(C(C)(C)C)c2)CC[C@@H]1C(F)(F)F 192292267 UTBCKPFICINRBN-LBPRGKRZSA-N 346.397 4.080 0 50 EIAA C[C@@H](C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccnc1 241301061 LPZYWAYLIYLJKN-SRCQZFHVSA-N 348.368 4.266 0 50 EIAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCc2[nH]c3ccc(F)cc3c2C1 248513012 COHAUEQNKNJNRV-IHRRRGAJSA-N 326.415 4.018 0 50 EIAA CC[C@@H](NC(=O)CCSCc1ccccc1)c1cccc(C)n1 299758830 QGWDBOPJUNUPFG-QGZVFWFLSA-N 328.481 4.281 0 50 EIAA CCC(CC)n1ncc(C)c1NC(=O)N(Cc1nccs1)C1CC1 299763485 XCDNJWSZEPJEPA-UHFFFAOYSA-N 347.488 4.206 0 50 EIAA c1ccc(-c2ccc(Cn3ccnc3)cc2)c(C[C@@H]2CCCCN2)c1 665211901 JQJBUOCIGYGWPT-NRFANRHFSA-N 331.463 4.283 0 50 EIAA Fc1cccc(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)c1 1775973567 JZMHWSSAKSMNCG-SEIRJHJZSA-N 340.486 4.221 0 50 EIAA CC(C)(Nc1ccccc1)C(=O)N[C@H]1CCNc2ccc(Cl)cc21 1875326952 NHKJTLPNKRKWLD-KRWDZBQOSA-N 343.858 4.204 0 50 EIAA C[C@H]1CC[C@@H]2CN=C(N[C@H](C)c3ccc(Cl)c(Cl)c3)N2C1 2325863631 QNECPOOAQWUSNE-DMDPSCGWSA-N 326.271 4.114 0 50 EIAA CCC(=O)N(CC[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 102359 RORFEHRCSGKUHD-INIZCTEOSA-N 333.472 4.029 0 50 EIAA biogenic Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccccc2)cs1 104184 CSEZLBZKPUGTMO-UHFFFAOYSA-N 338.432 4.444 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Br)c1 288641 NGANGRQIBYIQOO-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1 398448 VWGAAELMIVKTEY-UHFFFAOYSA-N 348.786 4.169 0 50 EIAA Cc1ccc(C(=O)O)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 467693 OFONRPXSRGADHE-UHFFFAOYSA-N 341.407 4.008 0 50 EIAA Cc1cc(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1Cl 2764734 JSGSLXHBQPXTQO-KBPBESRZSA-N 329.827 4.394 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 2982968 CBZIBXBCJSWDEJ-UHFFFAOYSA-N 330.428 4.295 0 50 EIAA COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1OC 4140775 NISRURWXXKDTGV-VQHVLOKHSA-N 337.375 4.137 0 50 EIAA CC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 12138244 KDXSNPOVAUJRMF-LBPRGKRZSA-N 330.815 4.121 0 50 EIAA CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(C)cc1 14897429 VBCUEKRRLMVFEB-FQEVSTJZSA-N 333.435 4.076 0 50 EIAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NCc1cccs1 14956912 FAMKRRMBEBUCPX-HNNXBMFYSA-N 344.528 4.468 0 50 EIAA Cc1ccsc1C(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 15073864 IOHFISHLCMXEOK-KRWDZBQOSA-N 349.459 4.321 0 50 EIAA CC(=O)Oc1c(C)cc(CN2CCC[C@@H]2c2c(C)noc2C)cc1C 55037023 UXXXSRPVQPZZPV-GOSISDBHSA-N 342.439 4.171 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc(Cl)s1 72430045 AIBNPVNMPWUZAU-UHFFFAOYSA-N 332.812 4.329 0 50 EIAA Fc1ccc(-c2csc(N3CCC(c4ncc[nH]4)CC3)n2)cc1 72478432 AHIKEXZPDFEDMF-UHFFFAOYSA-N 328.416 4.056 0 50 EIAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H](C)CCCC(C)(C)O 91563407 FASBJKQAJMDOJS-HNNXBMFYSA-N 344.499 4.082 0 50 EIAA c1cc(CN2CCC[C@@H]2c2nc3ccccc3[nH]2)c2c(c1)OCCCO2 170606901 VSPFZGUZXMPLSP-GOSISDBHSA-N 349.434 4.061 0 50 EIAA Cc1cc(-c2csc(CCN3CCOC3=O)n2)c(C)c(C)c1C 170641267 UMQZXNJRLNPWTC-UHFFFAOYSA-N 330.453 4.038 0 50 EIAA Cc1ccc(-c2cnc(CNC(=O)c3cc(Cl)ccc3F)o2)cc1 225425686 DBDKIUUNEZVYSS-UHFFFAOYSA-N 344.773 4.373 0 50 EIAA C[C@H](N[C@@H](C)c1nnc(-c2cccc(F)c2)s1)c1cccc(O)c1 241371278 MMBXREIUGNSRPO-RYUDHWBXSA-N 343.427 4.462 0 50 EIAA C[C@@]12CCC3(C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 257345756 IDOHVJIGNBUAFN-SLOHPKBISA-N 334.500 4.133 0 50 EIAA COc1ccc(C(C)(C)C)cc1NC(=O)N(C)Cc1ccnc(C)c1 299771074 RTFWKVIIJCLKOJ-UHFFFAOYSA-N 341.455 4.360 0 50 EIAA O=C(c1coc2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1 303488571 ABNJXAADOSSCSK-UHFFFAOYSA-N 340.810 4.049 0 50 EIAA CC[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nc(C)cs1 355146101 LXHKKJXDWWUNKT-GFCCVEGCSA-N 330.787 4.264 0 50 EIAA COC1(C(F)(F)F)CCN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 416271838 XYPLLPIJYWBNRM-CHWSQXEVSA-N 335.410 4.019 0 50 EIAA CSc1cccc(CN(C(=O)c2cc(C)nc(C)c2)C(C)C)c1 952968473 HDTBUBAPPHPYHZ-UHFFFAOYSA-N 328.481 4.471 0 50 EIAA O=C(Nc1ccc2scnc2c1)c1ccc([C@H]2CCCO2)s1 952984338 ZWTCKGBAYISWDI-GFCCVEGCSA-N 330.434 4.462 0 50 EIAA Cc1cccc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)c1F 1529178194 KHDLHSIEGXECOC-RBUKOAKNSA-N 339.410 4.126 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCc1ccccc1Cl)C2 1704343623 LLMOEFMFAPYGGI-MJGOQNOKSA-N 335.875 4.080 0 50 EIAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N[C@@H]1CCC[C@@H](CO)C1 2356144633 GQVDWKGVCYMDAW-ZIAGYGMSSA-N 347.842 4.189 0 50 EIAA COc1ccc(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 149114 QQGPREOKOKNKTG-UHFFFAOYSA-N 347.370 4.167 0 50 EIAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 182178 IYLHLBFZNQRKTO-FNORWQNLSA-N 335.281 4.086 0 50 EIAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 427700 GBKRMVIUPYKTPX-OAHLLOKOSA-N 325.408 4.049 0 50 EIAA COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 442797 URQFSFUSXWWPTM-UHFFFAOYSA-N 342.192 4.451 0 50 EIAA CCOc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1 451252 LUIZIFLCPBYQFB-GFCCVEGCSA-N 348.240 4.339 0 50 EIAA COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 452559 MVBDTIBXSPQFTN-GFCCVEGCSA-N 335.856 4.146 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)C(C)C)c1 464863 FAWJCLLZEJUCDI-UHFFFAOYSA-N 346.814 4.195 0 50 EIAA O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccnc1 609566 UQLAYVNUGNVSBQ-UHFFFAOYSA-N 346.386 4.476 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCC[C@@H]1C 1008075 FVAOBAAJFRWURS-MJVIPROJSA-N 330.255 4.456 0 50 EIAA Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@H](c1ccco1)C3 2350538 HEYHTKDNMRRVIW-OAHLLOKOSA-N 343.386 4.210 0 50 EIAA CCCCOC(=S)NC(=O)c1sc2ccccc2c1Cl 2874925 IRZLKGUEQKQZAJ-UHFFFAOYSA-N 327.858 4.386 0 50 EIAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1 2991298 LGCUYACLYAMDAB-UHFFFAOYSA-N 342.464 4.301 0 50 EIAA COc1cc(OC)c(NC(=O)Oc2ccccc2C(C)=O)cc1Cl 3086123 UIXIQYXAYIPIPI-UHFFFAOYSA-N 349.770 4.171 0 50 EIAA Cc1ccc(SN(c2ccc(C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 4833596 IVWCLHIQSWZPPE-KRWDZBQOSA-N 345.489 4.128 0 50 EIAA Cc1ccc(-c2noc(CN(C(=O)CC(C)(C)C)C(C)C)n2)cc1 4866137 IJVUEPVDTSQMCA-UHFFFAOYSA-N 329.444 4.218 0 50 EIAA O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 5737147 WLFCVFXMWRXDSJ-NRFANRHFSA-N 331.415 4.166 0 50 EIAA Brc1ccc(OCc2nc(-c3cccs3)no2)cc1 6728984 ISJOHUDMZYWVPE-UHFFFAOYSA-N 337.198 4.140 0 50 EIAA Cc1cc(OCCCCN2CCN(C)CC2)c(Cl)c(C)c1Cl 20639495 LBFJIAJOYZWTDT-UHFFFAOYSA-N 345.314 4.017 0 50 EIAA C[C@@H](Cc1cccs1)NC(=O)c1csc(Cc2ccccc2)n1 25300531 GIUJSSMJCVMNGT-ZDUSSCGKSA-N 342.489 4.156 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@@H](c3ccc(O)cc3)O2)C1 40450000 DCQWZNDAHMRGIR-LPHOPBHVSA-N 333.428 4.013 0 50 EIAA CC(C)Oc1ccc2ccccc2c1CNCCOc1ccccn1 57356048 XOEDYIGLUFHKJZ-UHFFFAOYSA-N 336.435 4.191 0 50 EIAA CCCN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67641894 SJWXRNCYRVZQOX-UHFFFAOYSA-N 340.448 4.273 0 50 EIAA O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@H](c2ncc[nH]2)C1 77386421 MWWMWQSBYFHTKH-IBGZPJMESA-N 331.419 4.097 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)N3CC(Oc4ccccc4C)C3)c2c1 77553560 PWLQJFWLUORQSM-UHFFFAOYSA-N 346.430 4.063 0 50 EIAA CC1(C)CN(C(=O)Nc2ccccc2-c2ccccc2)CC[C@]1(C)O 91459714 UBGBBKBGLYYMRR-NRFANRHFSA-N 338.451 4.368 0 50 EIAA CCOc1ccc(NC(=O)N2CCCC[C@H]2c2ccccn2)cc1 96166743 WDBUOTBGPHZKPI-SFHVURJKSA-N 325.412 4.239 0 50 EIAA Cc1ccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1C 169762208 VQECUHOVCOGSCK-MRXNPFEDSA-N 339.439 4.002 0 50 EIAA c1ccc(-c2noc([C@H]3CCCN3c3ncnc4sccc34)n2)cc1 193137217 QPVKIZZIFUKJCL-CQSZACIVSA-N 349.419 4.083 0 50 EIAA Cc1ccsc1CN(Cc1cc(-c2ccncc2)no1)C1CC1 244873246 WMLQWCGSYFNFDZ-UHFFFAOYSA-N 325.437 4.271 0 50 EIAA CSc1ccccc1C(=O)N1CCC2(CC1)CNc1ccccc12 299774470 ITSSALYANGATCI-UHFFFAOYSA-N 338.476 4.008 0 50 EIAA Cc1nc2ccc(C(=O)N3CC[C@H](C)C[C@H]3c3ccco3)cc2n1C 408312780 CINSYBLJPLSUBM-UGSOOPFHSA-N 337.423 4.088 0 50 EIAA COCc1cc(Cl)ccc1NC(=O)N[C@H]1c2ccccc2O[C@H]1C 425747183 FKYDQAXKMXGCPC-APPDUMDISA-N 346.814 4.130 0 50 EIAA Cc1cccc(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccnc(O)c1 664961264 HLQIEEGZOANFGP-RDJZCZTQSA-N 339.439 4.012 0 50 EIAA CC1=CC2(CCN(C3CCN(c4ccc(C)cc4)CC3)CC2)OCC1 1704358461 NIHLNJYZQSSCNO-UHFFFAOYSA-N 340.511 4.165 0 50 EIAA O=c1sc(-c2ccsc2)nn1CC1(Cc2ccccc2)CC1 1875405514 IATDEFGUNMWUGA-UHFFFAOYSA-N 328.462 4.056 0 50 EIAA Clc1cccc2ccc(N3CCC(Cn4ccnc4)CC3)nc12 2325790882 SCXJQIIJJPFMAH-UHFFFAOYSA-N 326.831 4.001 0 50 EIAA CCN(Cc1cccn2nccc12)[C@@H](C)Cc1ccc(F)cc1F 2325878507 RWZCPSJTWCQNFD-AWEZNQCLSA-N 329.394 4.066 0 50 EIAA FC(F)(F)c1ccccc1CN1CC2(COc3ccccc3C2)C1 2356169675 GXWDRVYRPHYREP-UHFFFAOYSA-N 333.353 4.143 0 50 EIAA CSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 201147 GSPZNVBLUCJDOM-UHFFFAOYSA-N 345.445 4.205 0 50 EIAA Brc1ccc(-c2noc(COc3ccccc3)n2)cc1 205785 QYBJZQAWRTYESV-UHFFFAOYSA-N 331.169 4.078 0 50 EIAA COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 610080 JOOTVQWLGUFWKO-LLVKDONJSA-N 349.839 4.246 0 50 EIAA CC(C)(C)c1csc(NC(=O)c2ccc(Br)o2)n1 3263865 IPNCFWPSMJZXFO-UHFFFAOYSA-N 329.219 4.048 0 50 EIAA Cc1ccc(-c2noc(CN(C(=O)C3CCCCC3)C(C)C)n2)cc1 4384540 KWBKAPAMFCJNRN-UHFFFAOYSA-N 341.455 4.362 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1O 4512096 YWTWYAIVGOFHLW-UHFFFAOYSA-N 328.755 4.261 0 50 EIAA O=C(O)CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 6333023 DFVOYHWUCJVJHC-UHFFFAOYSA-N 335.812 4.295 0 50 EIAA COc1cc(OC)c(NC(=O)c2cccc(OC(C)C)c2)cc1Cl 6697943 DROKRSHFYBPBAB-UHFFFAOYSA-N 349.814 4.397 0 50 EIAA Cc1ccc(CN2CCC(CN(C)CCCc3ccccc3)CC2)o1 12073521 QETSFJBHTFFGFS-UHFFFAOYSA-N 340.511 4.365 0 50 EIAA Cc1ccc(N[C@@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)cc1 32579466 SRJVAFATISVCIM-ZDUSSCGKSA-N 344.484 4.333 0 50 EIAA C[C@H](Cc1cccn1C)SCCS[C@H](C)Cc1cccn1C 34133933 KEGBAOOLUARJQD-HZPDHXFCSA-N 336.570 4.392 0 50 EIAA CC[C@@H](C)N(Cc1cccnc1)Cc1ccc2c(C)cc(=O)oc2c1 55074661 OPLJGJXGJSOONA-MRXNPFEDSA-N 336.435 4.297 0 50 EIAA Cc1cc(N2CCC[C@H](c3nccn3C)C2)nc2cc(Cl)ccc12 82166389 NLHWUHJSGKHKPQ-AWEZNQCLSA-N 340.858 4.314 0 50 EIAA CCc1nc(C)sc1CN1CCC[C@H](c2nccn2C(C)C)C1 95387248 NTEYONVMOZBHPP-HNNXBMFYSA-N 332.517 4.171 0 50 EIAA Cc1nn(CCc2nc(C3CC3)nn2C2CCCCC2)c(C)c1C 96139034 CHNDRLDHUXVTCX-UHFFFAOYSA-N 327.476 4.025 0 50 EIAA CCO[C@H](C)CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 96149073 SMNOBKGLJPCBIO-OAHLLOKOSA-N 328.412 4.368 0 50 EIAA COc1ccc(-c2ccc([C@@H](C)NC(C)=O)cc2)c2ccc(C)nc12 96161900 DUFALGCJFZXCNM-CQSZACIVSA-N 334.419 4.416 0 50 EIAA COc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@H]3C)c(C)o2)cc1 118186929 KUIVCBRDRBPVCD-CYBMUJFWSA-N 348.402 4.250 0 50 EIAA Fc1cc(Br)ccc1C(Br)Br 140124175 IWJXZHAXIPORHB-UHFFFAOYSA-N 346.819 4.377 0 50 EIAA CCO[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2csc(C)n2)C12CCCCC2 170638950 WSJKGXRKSCUVQD-PIIXRYACSA-N 348.512 4.051 0 50 EIAA COc1ccc2c(c1)CCN(Cc1ccc([C@@H]3CCCCO3)o1)C2 216295241 FKPTYKWYLAZMCY-IBGZPJMESA-N 327.424 4.088 0 50 EIAA CC(C)[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1C(C)C 252507292 WGFZGDYWWBKNPG-QGZVFWFLSA-N 325.412 4.337 0 50 EIAA C[C@@]12CCC3(C[C@@H]1[C@@H](O)C[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 257345754 IDOHVJIGNBUAFN-DJQWEKKZSA-N 334.500 4.133 0 50 EIAA O=C(c1cnc2c(F)cccc2c1)N1CC[C@H](c2cccc(F)c2)C1 339984477 YVSRRWHEKZDLTJ-HNNXBMFYSA-N 338.357 4.143 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2ccncc2C)cc1 426628209 JWHYEMMCOGOUSA-LJQANCHMSA-N 338.451 4.088 0 50 EIAA CC(C)COC[C@H](NCc1ccnn1C1CCCC1)c1ccco1 449106525 IIYZXJGRJTYVFX-SFHVURJKSA-N 331.460 4.095 0 50 EIAA Cc1noc([C@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)n1 804907139 TYMAJPIUJYXDCO-LLVKDONJSA-N 347.827 4.223 0 50 EIAA COC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)s1 824197932 CRTWHZUAHSZKOJ-LBPRGKRZSA-N 348.424 4.277 0 50 EIAA O=C(C[C@@H]1CCc2ccccc21)Nc1cccc(CN2CCCC2)c1 827807434 SZDVIRQQWMPTBQ-IBGZPJMESA-N 334.463 4.341 0 50 EIAA Cc1cnc(CCN[C@H](C)c2cc3c(Cl)nccc3o2)c(C)c1 866384145 IDUCSARMJDZUAS-CYBMUJFWSA-N 329.831 4.386 0 50 EIAA O=C([C@@H]1CCC[C@H](O)C1)N(CCC1=CCCCC1)Cc1ccccc1 1074566441 GSDCRYGIIISHHJ-RTWAWAEBSA-N 341.495 4.457 0 50 EIAA Cc1ncc2c(n1)[C@@]1(CCCN(c3cc(C)c4ccccc4n3)C1)CC2 1704311309 DVZLRHJNJNTOCU-QFIPXVFZSA-N 344.462 4.126 0 50 EIAA Cc1ccccc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 74844 YCPIPXDJRPLUJK-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA CCc1cccc(CC)c1NC(=O)c1cncc(Br)c1 145171 YUAYDBIWIZLROG-UHFFFAOYSA-N 333.229 4.221 0 50 EIAA COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 205883 KFSBQJHFBFQSQT-DLBZAZTESA-N 340.814 4.086 0 50 EIAA Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(cc12)CCC3 207932 DSSZVKQNSQZUPQ-UHFFFAOYSA-N 328.824 4.252 0 50 EIAA COc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)cc1 456317 VYKCRRXFKVASHV-UHFFFAOYSA-N 349.415 4.324 0 50 EIAA C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Br)cc1 470943 XDXOOKATNDGUSI-RISCZKNCSA-N 342.302 4.236 0 50 EIAA O=C(COc1ccc(OCC(=O)c2ccccc2)cc1)c1ccccc1 572118 FNPIZYZBLSYMQM-UHFFFAOYSA-N 346.382 4.210 0 50 EIAA Nc1ccccc1SCC(=O)Nc1ccc(Cl)cc1Cl 1406190 XBNQGBQBXLPHNC-UHFFFAOYSA-N 327.236 4.306 0 50 EIAA O=C(COc1ccc(Br)cc1)Oc1ccc(Cl)cc1 2678184 SUQCCGAMJGYZDC-UHFFFAOYSA-N 341.588 4.087 0 50 EIAA Cc1cccc(C)c1NC(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C 2796428 BHADTUSXOBESIN-LBPRGKRZSA-N 339.361 4.102 0 50 EIAA O=C(Nc1ccccc1Br)c1ccc(F)cc1Cl 6729043 MMZOGGNXZCUPTP-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA CCCC[C@H]1CN(Cc2c(C)nn(CC)c2C)Cc2ccccc2O1 14879837 ZBONGPBQLXPHKD-IBGZPJMESA-N 341.499 4.473 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccncc1 32088953 TUCCUDYZQWGKBU-UHFFFAOYSA-N 342.358 4.051 0 50 EIAA COc1ccc(F)cc1-c1nccn1C[C@@H](OC)c1cccs1 71714478 RMJRBBFEDPKOPT-OAHLLOKOSA-N 332.400 4.147 0 50 EIAA CC(C)=C1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 101052925 KHKQQNDOVDMPPG-GRAQCLFMSA-N 345.442 4.115 0 50 EIAA O=C(O)[C@H](CCCC(F)(F)F)Cc1cccc(Br)c1 133932854 DGHZZJYVAQASRA-SNVBAGLBSA-N 339.151 4.425 0 50 EIAA Cc1cnn(CCCCC[S@@](=O)Cc2cccc3ccccc23)c1 170643306 DOCUBIVCIDPPCL-XMMPIXPASA-N 340.492 4.464 0 50 EIAA Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CCOc2c(Cl)cccc21 188667423 PTVIDKFTZPEUOF-AWEZNQCLSA-N 348.830 4.089 0 50 EIAA COc1cc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)ccc1OC(F)F 252444292 SWRBZYJWFWQSBW-DGXTUMSLSA-N 337.410 4.211 0 50 EIAA Fc1c(Br)cc(Br)cc1OC(F)(F)F 263623192 FMLJKUIYPRYCGD-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA COc1ccc2c(c1)[C@H](C)N(C(=O)c1nc(C(C)C)cs1)CC2 299769560 NXIMWGFHNAMYNO-LBPRGKRZSA-N 330.453 4.035 0 50 EIAA CSc1ccsc1C(=O)NC[C@H](O)c1ccc2ccccc2c1 303979643 DVGOKLQUWMPCMZ-HNNXBMFYSA-N 343.473 4.087 0 50 EIAA Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C[C@H](N)c2ccccc2)cc1 448237844 FSJRMKRTMAHZGJ-AGHHOFFYSA-N 336.479 4.385 0 50 EIAA Oc1cccc(CNC[C@H](OC2CCCC2)C(F)(F)F)c1Cl 657587620 FTGULEZIYIUKMK-ZDUSSCGKSA-N 337.769 4.025 0 50 EIAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc2c(C)ccc(F)c2o1 935123602 GVTRFVVTPWOUHN-OAHLLOKOSA-N 341.386 4.198 0 50 EIAA O=C(c1ccncc1Cl)N1CCCC[C@H]1CCc1cccs1 952974841 WWJJQVPOFUYMIQ-ZDUSSCGKSA-N 334.872 4.424 0 50 EIAA O=C(Nc1cccc(Oc2ccccn2)c1)c1c[nH]nc1-c1ccco1 1465453742 ARZGLPKPYQVLSD-UHFFFAOYSA-N 346.346 4.109 0 50 EIAA CC(C)(C)C[C@H](Nc1ncc(F)c(N2CCCC2)n1)c1cccnc1 1529195935 ROMIXIIRCTYDHR-INIZCTEOSA-N 343.450 4.200 0 50 EIAA O=C(CSc1ncnc2sc3c(c12)CCC3)c1ccc(F)cc1 114459 XPMQEUVCORQRDX-UHFFFAOYSA-N 344.436 4.294 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 358766 JQRWKYQNXHWDBW-UHFFFAOYSA-N 332.403 4.004 0 50 EIAA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccnc1 359607 NTZOFAMAIQTCCJ-UHFFFAOYSA-N 331.586 4.059 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 438496 UNJRFYXXMVLQNN-OAHLLOKOSA-N 349.814 4.153 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1F 459775 URBJXJHHKAFKNQ-UHFFFAOYSA-N 342.595 4.423 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1 1207559 VOQKEGQDQUGDQP-UHFFFAOYSA-N 347.798 4.168 0 50 EIAA CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1C 2101955 LIGZAIBAHBOINH-UHFFFAOYSA-N 347.436 4.193 0 50 EIAA Cc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1 2552501 RUISDDYRWSGNRL-UHFFFAOYSA-N 334.371 4.199 0 50 EIAA biogenic COc1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1 2877354 HLBUMZBPZJCAGZ-UHFFFAOYSA-N 348.811 4.219 0 50 EIAA CCCSc1nnc(NC(=O)Cc2coc3ccc(C)cc23)s1 2877615 RBSIVDBIACDDIK-UHFFFAOYSA-N 347.465 4.276 0 50 EIAA Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 2987987 QSXASPMUQWYKBR-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1ccc(C)c2C 4488837 ISYQHBSGJSTZCP-MRXNPFEDSA-N 325.408 4.185 0 50 EIAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccccc2F)s1 6604132 XTJYKPPXYMFBGQ-UHFFFAOYSA-N 338.429 4.045 0 50 EIAA Nc1c(C(=O)Nc2cccc(Cl)c2Cl)sc2ncccc12 8788343 PYSAXMUAZRPZIC-UHFFFAOYSA-N 338.219 4.438 0 50 EIAA COc1ccc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)c(C)c1C 11946392 BWVVGCBBIBNRCN-QFIPXVFZSA-N 342.527 4.010 0 50 EIAA CCCCc1nc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c[nH]1 12307282 BJCVKFQHEBTFMQ-OAHLLOKOSA-N 348.441 4.107 0 50 EIAA Cc1cc(Cl)c(OCCOCCN2CCC(C)CC2)c(Cl)c1 22184637 CFBZBNNODNMASA-UHFFFAOYSA-N 346.298 4.429 0 50 EIAA CC(C)n1cc(CN(Cc2cccnc2)Cc2ccsc2)cn1 55270826 RQXJWOPQSGPGRN-UHFFFAOYSA-N 326.469 4.123 0 50 EIAA CC1(C)Cc2c(sc3nc(=S)n(-c4ccccc4)c(O)c23)CO1 136152735 QHHDCOKYRSCUMW-UHFFFAOYSA-N 344.461 4.373 0 50 EIAA COCc1ccc([C@@H]2CCCN2C(=O)c2cc3c(F)cccc3[nH]2)o1 137500437 PZVGQQQRQHZUBM-KRWDZBQOSA-N 342.370 4.024 0 50 EIAA Cc1csc(N(C(=O)c2ccnc(NC3CCCC3)c2)C2CC2)n1 170646918 USBYRJUIOQOZDK-UHFFFAOYSA-N 342.468 4.010 0 50 EIAA Cc1nn(C)cc1CN[C@H](c1ccccc1)c1cc2ccccc2o1 179057323 IGKYJZZHUKXUNC-OAQYLSRUSA-N 331.419 4.354 0 50 EIAA CCc1noc(CC)c1CN[C@H](C)c1ccc(Br)o1 192945403 NJCDBFMIJGRZCQ-SECBINFHSA-N 327.222 4.006 0 50 EIAA CSCC1CCN(C(=O)c2cc(C)nc3c(Cl)cccc23)CC1 215466626 PHEIPWSUFAHFKN-UHFFFAOYSA-N 348.899 4.412 0 50 EIAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)O)cc1 263581904 XUHWDNIXGOQNIN-ACJLOTCBSA-N 345.826 4.000 0 50 EIAA Cc1sc2nc(CN[C@H](c3ccccc3)C(F)F)nc(O)c2c1C 292824539 SYQJENWQYAYIKZ-CQSZACIVSA-N 349.406 4.110 0 50 EIAA CCOc1ccc2nc(NC(=O)[C@@H]3CCC(F)(F)C3)sc2c1 331787967 ROJIRUDXMHFMLA-SECBINFHSA-N 326.368 4.069 0 50 EIAA O=C(CCC1CCCCC1)N1C[C@@H](n2cccn2)Cc2ccccc21 464419218 USDXRZFBWIVDKG-IBGZPJMESA-N 337.467 4.374 0 50 EIAA Oc1cccc2c1CCC[C@H]2NCc1cccc(OC2CC2)c1F 657448902 XKPOWDLTKAAQEJ-QGZVFWFLSA-N 327.399 4.240 0 50 EIAA Cc1cccc(Cl)c1NC(=O)CSc1nc2ncccc2s1 1189913048 TVPBGVHMLMNLDZ-UHFFFAOYSA-N 349.868 4.384 0 50 EIAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cccc(C(C)C)c1 1875334255 HRSOSWMWADJHQM-IBGZPJMESA-N 329.465 4.084 0 50 EIAA COc1ccc(Cc2cnc(NC(=O)c3ccc(C)cc3)s2)cc1 121084 JVQNRUDQJNHIAK-UHFFFAOYSA-N 338.432 4.303 0 50 EIAA CC1(C)C[C@@H](NC(=O)C[C@@H](c2ccc(F)cc2)c2ccco2)CCO1 472374 ASBIGRMSMVGJFG-IRXDYDNUSA-N 345.414 4.015 0 50 EIAA Cc1sc2ncnc(SCc3nc4ccccc4[nH]3)c2c1C 529999 OIHKLCXEMYNLMV-UHFFFAOYSA-N 326.450 4.477 0 50 EIAA COC(=O)c1cc(NC(=O)CCSc2ccccc2)ccc1Cl 621383 RSUZPAHVHFHIRQ-UHFFFAOYSA-N 349.839 4.248 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 1064727 IDNLLMZOCREZNH-UHFFFAOYSA-N 327.858 4.171 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(F)cc1 2660917 CKXVPYYAPJTPPC-UHFFFAOYSA-N 344.773 4.373 0 50 EIAA CCCCOc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1 2810877 ORPSPLIVVGCCSE-UHFFFAOYSA-N 337.427 4.202 0 50 EIAA O=C(O)C[C@H](NC(=O)CCC1CCCCC1)c1cccc(Cl)c1 4686707 YMVNPSUJBNXZRA-INIZCTEOSA-N 337.847 4.333 0 50 EIAA CSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 6697488 WSEVYHCTIKGDIB-UHFFFAOYSA-N 348.642 4.411 0 50 EIAA COc1cc(C[C@@H](C)NCc2ccc3[nH]c(C)c(C)c3c2)ccc1O 11957349 ZULLUKANCNLRJT-CYBMUJFWSA-N 338.451 4.220 0 50 EIAA Cc1ccc([C@H](C)NCC(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 13323143 KXGBTFHDEVFSQZ-OALUTQOASA-N 338.495 4.448 0 50 EIAA CCCc1cc(=O)[nH]c(SCc2ccc(Cl)cc2Cl)n1 13465952 PMGYPBPEIVVXSQ-UHFFFAOYSA-N 329.252 4.322 0 50 EIAA CCCn1cc(-c2ccnc(NCc3ccc(C)c(C)c3)n2)c(C)n1 48319776 DHGOMALCGOOMNF-UHFFFAOYSA-N 335.455 4.287 0 50 EIAA CN(C(=O)c1cccc2ccccc12)[C@H]1CCN(C2CCCCC2)C1 60106926 IOZFSRPRHQEEJI-IBGZPJMESA-N 336.479 4.319 0 50 EIAA COc1ccc2cc([C@H]3CN(Cc4ncccc4C)CCO3)ccc2c1 71403951 CYTMMBYVOKZFHN-JOCHJYFZSA-N 348.446 4.125 0 50 EIAA CCc1cc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)on1 71759709 WRUIDCFNKKZENE-AWEZNQCLSA-N 334.410 4.360 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)ccc1Cl 95511713 QDMFITRTDZLKAN-INIZCTEOSA-N 345.874 4.446 0 50 EIAA O=C([C@H]1C[C@H]2CC[C@H]1O2)N(c1cccc2cccnc12)C1CCCC1 110606546 OMNZHHALRRVDMB-ZIFCJYIRSA-N 336.435 4.078 0 50 EIAA O=C(c1cc(-c2ccccc2)no1)N1CCCc2c(F)ccc(F)c21 119353468 OXJWUFDHTVAIJU-UHFFFAOYSA-N 340.329 4.213 0 50 EIAA CCCOc1cc(S(=O)(=O)NC2CCCCCC2)ccc1Cl 170615074 IHVJEUSDDYJYRM-UHFFFAOYSA-N 345.892 4.130 0 50 EIAA C[C@H](CCc1ccccc1)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 248194369 NUKGCHMUQSQOOQ-VYJXUSGSSA-N 327.512 4.317 0 50 EIAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1cccc(F)c1 248244085 KTYVXFQVIQOKJT-FHWLQOOXSA-N 339.410 4.302 0 50 EIAA CCc1nnc(CN[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)o1 253417238 CMTHNOUOBAIFOH-KGLIPLIRSA-N 339.361 4.077 0 50 EIAA C[C@H](NC(=O)N1CC(c2ccncc2)C1)c1ccc(C(C)(C)C)cc1 426526518 WLZLYJHCDZOIJR-HNNXBMFYSA-N 337.467 4.249 0 50 EIAA COc1cc(OC)c(N[C@H](C)c2ccc3c(c2)OCCCO3)cc1F 777704785 SYBADUHPLCCTPB-GFCCVEGCSA-N 347.386 4.177 0 50 EIAA CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)s2)C1 864097152 OGRPZKRFTCYWNW-AWEZNQCLSA-N 334.872 4.113 0 50 EIAA C[C@@H](c1cccnc1)N(C)C1CCN(c2ccc(Cl)cc2)CC1 952869198 GCIXMUYTPHSOPJ-HNNXBMFYSA-N 329.875 4.397 0 50 EIAA Cc1cccnc1CC(=O)N1CCCC[C@H]1CCc1cccs1 1506417136 ODGVOAKTQFVAGY-INIZCTEOSA-N 328.481 4.008 0 50 EIAA O[C@@H]1CCC[C@]12CCCN(CC(c1ccccc1)c1ccccc1)C2 1704331787 UWGQZQBZWLGDPV-DHIUTWEWSA-N 335.491 4.446 0 50 EIAA CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CCC2 64394 RSWMHRCFYRXRCI-UHFFFAOYSA-N 331.393 4.024 0 50 EIAA COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 77664 HZVJVHZLRVIAHC-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA CCOC(=O)c1cnc2c(Cl)cccc2c1NCc1ccco1 141067 BVGFJTHUJAKGNX-UHFFFAOYSA-N 330.771 4.270 0 50 EIAA CC[C@@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1 363225 ZCFSFLGJXDDBTA-CYBMUJFWSA-N 333.815 4.490 0 50 EIAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 427695 BYWSFZUESSMLHH-HNNXBMFYSA-N 337.419 4.335 0 50 EIAA CC(=O)Nc1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1 467052 OIEYFERJBIFJJB-UHFFFAOYSA-N 338.190 4.309 0 50 EIAA Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)nc1 616484 MFHQCJZFAVCQTC-UHFFFAOYSA-N 336.391 4.033 0 50 EIAA aggregator Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)c1 1077563 URXIMWYTVPYVGI-UHFFFAOYSA-N 346.386 4.205 0 50 EIAA CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 2823831 PUIBBAKFMGFSIO-UHFFFAOYSA-N 331.843 4.246 0 50 EIAA Cc1nc2ccccc2c(C(=O)O)c1C(=O)Nc1ccccc1Cl 3865732 HNQIHLWBNQDYQL-UHFFFAOYSA-N 340.766 4.147 0 50 EIAA Cc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O 4225225 WVVPBBXVRCAFIY-LBPRGKRZSA-N 325.799 4.045 0 50 EIAA CCOc1ccc(CN2CCC(N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 4745722 KGURGDPFABWGJD-HDICACEKSA-N 330.516 4.028 0 50 EIAA CCN(C(=O)C1CCCCC1)[C@@H](C)c1nc(-c2ccccc2)no1 10537068 OGLLTDFSZWFHGM-AWEZNQCLSA-N 327.428 4.226 0 50 EIAA CC(C)C[C@@H](O)c1ccc2c(c1)CN(Cc1ccccc1F)CCO2 12100307 LKCDGSLARWWGNJ-HXUWFJFHSA-N 343.442 4.300 0 50 EIAA CC(C)(c1cc(Cl)cc(Cl)c1)N1C(=O)C2=C(CCCC2)[C@@H]1O 12381824 NCZAYYXHAQQZGF-HNNXBMFYSA-N 340.250 4.260 0 50 EIAA Fc1ccc(-c2nccn2[C@@H](Cn2cccn2)c2ccccc2)cc1 71735914 WXBBBXNBLZULGP-IBGZPJMESA-N 332.382 4.175 0 50 EIAA Cc1ccccc1-c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2O)c1 96130516 AQVOWUPFFLPGIE-UXHICEINSA-N 338.451 4.429 0 50 EIAA O=S(=O)(c1ccccc1)N(CCc1ccccc1)c1ccccc1 146186255 WAGZQZORBRZHQQ-UHFFFAOYSA-N 337.444 4.125 0 50 EIAA c1ccc(CN2CCC[C@@]3(CCCN(Cc4cscn4)C3)C2)cc1 215976767 OTKWZAVLSGAOPW-HXUWFJFHSA-N 341.524 4.021 0 50 EIAA Cc1ncsc1CCN(C)Cc1cc(CN2CCCCC2)cs1 216318486 XRMFHFMRMVDKJJ-UHFFFAOYSA-N 349.569 4.173 0 50 EIAA O=C(CSc1ccncc1)N1CCCCC[C@@H]1c1cccc(F)c1 219410432 YEKQDCMSLDYMAT-GOSISDBHSA-N 344.455 4.457 0 50 EIAA CCc1cnc(CN(C)C(=O)Nc2ccc(C3CC3)c(F)c2)s1 252495465 OQVUJGNIJONHKJ-UHFFFAOYSA-N 333.432 4.386 0 50 EIAA CC1(C)[C@H]2CC[C@]1(C)C1=C2[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 257358671 VSHZRTNKMMJCAE-ZHYWGLLZSA-N 347.458 4.195 0 50 EIAA Cc1nc(-c2cc3c(s2)CCN(c2nnc(C4CC4)o2)C3)cs1 278192483 DOXDMLFGKUGWIF-UHFFFAOYSA-N 344.465 4.003 0 50 EIAA CC[C@H](NC(=O)CSCc1ccccc1C)c1cc(C)ccn1 299772257 UIGSFUIMZBOUKS-KRWDZBQOSA-N 328.481 4.199 0 50 EIAA CNC(=O)[C@H]1CC[C@H](CNc2cc(C)c3ccc(C)c(C)c3n2)CC1 1704335579 BSYHPGVFZGYAIU-QAQDUYKDSA-N 339.483 4.124 0 50 EIAA Cn1cnc2ccc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc21 1875341136 HSSNLDVAXTZMGO-UHFFFAOYSA-N 349.434 4.491 0 50 EIAA COC(=O)[C@@H](OC(=O)c1ccc2c(c1)CCC=C2)c1cccc(C)c1 2325870634 ICYWJULOXATGHJ-IBGZPJMESA-N 336.387 4.026 0 50 EIAA CCc1ccc(OC(=O)COc2ccc(Br)cc2C)cc1 38625 IYOUXMBBJVVSMD-UHFFFAOYSA-N 349.224 4.304 0 50 EIAA CC(C)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 341335 WDEDOHGLFMLSEF-UHFFFAOYSA-N 334.213 4.489 0 50 EIAA CCCc1cc(C(=O)OC)c(NC(=O)c2cccc(OCC)c2)s1 355458 HQIAPSTUEAPGPC-UHFFFAOYSA-N 347.436 4.138 0 50 EIAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(C)c2)c1 456720 LHBNHNPVFNCZLL-CYBMUJFWSA-N 342.464 4.341 0 50 EIAA Cc1cccc(N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1C 1457057 KCXMPMOZZBHQGA-SFHVURJKSA-N 336.479 4.146 0 50 EIAA CCCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 2503964 RMHZJYLUIHDEQN-UHFFFAOYSA-N 327.453 4.234 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)COc1cccc(C)c1C 4734808 XKSIGKOEGMSAIJ-UHFFFAOYSA-N 340.423 4.060 0 50 EIAA Cc1c(Cl)cccc1NC(=O)COCc1cc(-c2ccco2)on1 6876678 SZHYPQBJTCIBOX-UHFFFAOYSA-N 346.770 4.052 0 50 EIAA CCOc1ccccc1-c1nc(CN2CCCC[C@H]2COC)c(C)o1 11815048 KANNDGAOGXSFSP-INIZCTEOSA-N 344.455 4.050 0 50 EIAA Cc1oc(-c2ccc(F)cc2F)nc1CN(C)[C@H](C)c1ccon1 12438866 UOZSQHQTDOWLMC-SNVBAGLBSA-N 333.338 4.109 0 50 EIAA COCC1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 12466584 NMUGBBWRJVTKSF-UHFFFAOYSA-N 334.847 4.162 0 50 EIAA O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 12985947 RQEOFDOXFRRFQL-UHFFFAOYSA-N 344.458 4.234 0 50 EIAA in-vivo Cc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C)nn(C(C)C)c2n1 13961342 YHKNGXYBJVIEME-UHFFFAOYSA-N 344.365 4.160 0 50 EIAA c1ccc(-c2ncn(CCNc3cccnc3)c2-c2ccncc2)cc1 65395291 IDNCNHHROKFMIM-UHFFFAOYSA-N 341.418 4.119 0 50 EIAA COc1ccc(C)cc1NC(=O)N(C)[C@H](C)c1nc(C)sc1C 72173985 MAPRLSDNTHRATN-LLVKDONJSA-N 333.457 4.302 0 50 EIAA Cc1ccc(NC(=O)c2ccc(Oc3ccc(C)nn3)cc2)c(C)c1 72437853 NLYPSEGCDDHDBY-UHFFFAOYSA-N 333.391 4.446 0 50 EIAA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CN1CC1 118913464 YAZNTOPQJPATQT-FAWMDMTCSA-N 331.544 4.466 0 50 EIAA biogenic O=C(NCCCC[C@@H]1CCCO1)c1cccc(-c2ccsc2)c1 299759609 PHMORPYVUXLSRZ-GOSISDBHSA-N 329.465 4.494 0 50 EIAA C1=C(c2ccccc2)CCN(Cc2cccc(OC3CCNCC3)c2)C1 299788844 TYCWCZGFWVMAQI-UHFFFAOYSA-N 348.490 4.107 0 50 EIAA Cc1cc(-c2csc(NC(=O)[C@H]3CCSC3)n2)c(F)cc1F 475057735 GOSOFQAUKLDUGN-VIFPVBQESA-N 340.420 4.088 0 50 EIAA Cc1cc(-c2csc(-c3ccncn3)n2)c(C)n1CC(F)(F)F 1875267403 OZBWJKVFALGVKA-UHFFFAOYSA-N 338.358 4.248 0 50 EIAA Cc1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)nc(C)c1C 2356149498 DHEOWWWIILCEOV-UHFFFAOYSA-N 325.456 4.328 0 50 EIAA CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 64030 WOXPIIRNNLSPCB-LFYBBSHMSA-N 329.783 4.169 0 50 EIAA COc1ccc2c(=O)/c(=C\c3ccc(Cl)cc3)oc3cccc1c32 178482 WCMHSORMJOMLBX-WOJGMQOQSA-N 336.774 4.156 0 50 EIAA CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1OCC 205276 SJLCOXCDYDYDPF-UHFFFAOYSA-N 337.375 4.397 0 50 EIAA Cc1c(Br)cccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 409459 RNOVAHXPFCDWLS-UONOGXRCSA-N 330.225 4.500 0 50 EIAA O=C(CSCc1ccccc1)Nc1ccccc1Br 443202 DHLLSPCSTRKKLZ-UHFFFAOYSA-N 336.254 4.321 0 50 EIAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1F 464411 KRWHBWJQXCXLRG-LBPRGKRZSA-N 330.428 4.466 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1 471843 WLCQMULIYMKSKI-GOSISDBHSA-N 340.423 4.221 0 50 EIAA O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccncc1 900587 PFDCOZXELJAUTR-GOSISDBHSA-N 338.794 4.069 0 50 EIAA biogenic,in-vitro O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)on1 3907657 HBMVFZCGRSJBQU-UHFFFAOYSA-N 330.746 4.064 0 50 EIAA C[C@H](NC[C@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 4477670 HXFPAKGMNBNTBT-VHBXLISGSA-N 333.516 4.320 0 50 EIAA CC(C)SCCCOc1ccc(I)cc1 4949253 JFOWHAXLEJFMSU-UHFFFAOYSA-N 336.238 4.202 0 50 EIAA CC[C@H](NC(=O)c1nn(C)c(C)c1Cl)C12CC3CC(CC(C3)C1)C2 6489236 CYPGPJKQWSWMHC-ZBUUCQELSA-N 349.906 4.107 0 50 EIAA Cc1c([C@H](C)NCc2ccc(F)cc2F)cnn1-c1cccc(F)c1 12199838 FSSBORPFQHRNAB-LBPRGKRZSA-N 345.368 4.449 0 50 EIAA COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)cc1 12302669 QSKRYUVRZFCFDD-IBGZPJMESA-N 338.451 4.029 0 50 EIAA O=c1cc(/C=C/c2cc(O)ccc2Br)[nH]c2ccccc12 15016955 HXQGITWDUUPJTD-AATRIKPKSA-N 342.192 4.167 0 50 EIAA CC1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 20112945 BFFABHBGJZQZFF-UHFFFAOYSA-N 328.456 4.078 0 50 EIAA CCOc1ccccc1CN(CC)C(=O)c1ccc(C(C)=O)s1 55393148 KGOKFGCUBIPKHN-UHFFFAOYSA-N 331.437 4.012 0 50 EIAA CC[C@H](COC)n1cnc(-c2ccccc2)c1-c1cccc2nonc12 65384465 TWNJMYPWNMQFMW-OAHLLOKOSA-N 348.406 4.351 0 50 EIAA COC[C@H]1CCCN(Cc2nc(-c3ccccc3Cl)oc2C)C1 72410912 OFDGXSYSBPCOTD-AWEZNQCLSA-N 334.847 4.162 0 50 EIAA Cc1ccc(C2(C(=O)N(C)Cc3cccc4ncccc34)CC2)cc1 77455092 BCKNXFNEMKXZNL-UHFFFAOYSA-N 330.431 4.233 0 50 EIAA Fc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 100819377 ODAYXBPFOWIGTE-MRXNPFEDSA-N 326.762 4.127 0 50 EIAA COc1cccc2c(C)c(C(=O)Nc3ccc(O)c(Cl)c3)oc12 111667294 JWHLUBBNAFCVTK-UHFFFAOYSA-N 331.755 4.361 0 50 EIAA c1ccc([C@H]2C[C@@H]2Sc2nnc(C3CC3)n2Cc2ccco2)cc1 170598594 NOGGOYIMPGMKMK-SJORKVTESA-N 337.448 4.445 0 50 EIAA CC[C@@H](NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1)c1ccncc1 170611090 DIWMRKDGQNEQDU-ZIAGYGMSSA-N 343.393 4.153 0 50 EIAA Cc1nc(-c2ccco2)ccc1C(=O)NC1(c2ccccc2)CCC1 170616259 FWTRCIZFBJMHJI-UHFFFAOYSA-N 332.403 4.459 0 50 EIAA O=C(CCc1cscn1)N1Cc2ccccc2C[C@H]1c1ccccc1 174654604 ZMGCAHDXZQZFPN-FQEVSTJZSA-N 348.471 4.402 0 50 EIAA CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 222204451 HDQJQWKFHNGHRA-QGTPRVQTSA-N 348.487 4.125 0 50 EIAA COCc1cc(Cl)ccc1NC(=O)N[C@@H]1c2ccccc2O[C@H]1C 425747196 FKYDQAXKMXGCPC-GTNSWQLSSA-N 346.814 4.130 0 50 EIAA Cc1ccc(CN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C2CC2)o1 676168022 TVHPXOQNLJHFMF-INIZCTEOSA-N 346.471 4.144 0 50 EIAA CC(=O)N1CCC[C@@H](c2noc(-c3ccccc3CC(C)(C)C)n2)C1 904013012 FARCNYBQJQPTQK-MRXNPFEDSA-N 341.455 4.051 0 50 EIAA CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1ccco1 71817 AEMUKNJUDGSTEO-UHFFFAOYSA-N 340.379 4.015 0 50 EIAA Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1 274053 VKZHXBNQPRYKTD-UHFFFAOYSA-N 338.432 4.444 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cccc(F)c1 361368 TZSQKWRUTNSCDA-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA CCC[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 433866 KUYYOXODJIMUIN-SNVBAGLBSA-N 348.493 4.066 0 50 EIAA aggregator CCCCc1[nH]c(SCC(=O)N[C@@H](C)c2ccccc2)nc1C 4632232 HGXSOOMXYKFNDL-ZDUSSCGKSA-N 331.485 4.030 0 50 EIAA COc1ccc(C(=O)Nc2cccc3nc(C)ccc23)cc1Cl 4842287 BVEVBEKPYZHDAM-UHFFFAOYSA-N 326.783 4.458 0 50 EIAA Cc1cccc(NC(=O)c2nnn(-c3cc(Cl)ccc3C)c2C)c1 8022118 HYIKNCJPDIBBNC-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(OC[C@H]2CCCO2)c1 10469414 VKNSUUCABXMJTB-GOSISDBHSA-N 345.826 4.079 0 50 EIAA O=C(c1cccc2ccccc12)[C@H]1CCCN(Cc2cccnc2)C1 11821363 UIURJAPONCETKF-IBGZPJMESA-N 330.431 4.330 0 50 EIAA Cc1ccc(-c2n[nH]cc2CNCCCc2scnc2C)cc1C 12302564 XBQGXEAJBPZLOO-UHFFFAOYSA-N 340.496 4.181 0 50 EIAA CC(=O)c1ccc(F)cc1-c1ccc([C@@H](C)N2CCOCC2)cc1 67846954 OSWOLLHLKNIMKP-CQSZACIVSA-N 327.399 4.089 0 50 EIAA Cc1ccccc1OC[C@@H]1CCCN(Cc2ccnc(C(C)C)n2)C1 72153982 YKVWCDWMOAGJFE-GOSISDBHSA-N 339.483 4.199 0 50 EIAA Clc1ccccc1-c1noc(C[C@@H]2OCCc3ccccc32)n1 115179296 PREBEUPQYCHLHU-INIZCTEOSA-N 326.783 4.247 0 50 EIAA O=C(c1cc2ccccc2o1)N(c1cccc(F)c1)C1CCOCC1 150973497 CDPQMPOXIGJKAV-UHFFFAOYSA-N 339.366 4.398 0 50 EIAA COC[C@H](NC(=O)Nc1c(C)noc1C1CC1)c1ccc(Cl)cc1 193657969 PHNCOEKRUCKWJD-AWEZNQCLSA-N 349.818 4.023 0 50 EIAA Cc1noc(C)c1[C@H](C)CC(=O)N(CC(F)F)c1ccc(F)cc1 193858806 HXUYZXOURHQQHS-SNVBAGLBSA-N 340.345 4.222 0 50 EIAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 253424908 SEFCAIHZWIRMKB-KKSCNQFASA-N 337.467 4.225 0 50 EIAA Cc1nc(-c2cccc(C(=O)Nc3c(C(F)F)n[nH]c3C)c2)cs1 355612483 AQGVPZLSAQBAPE-UHFFFAOYSA-N 348.378 4.340 0 50 EIAA COc1cccc(C(=O)Nc2ccccc2CN2CCCCC2)c1C 824795712 SJBDMNLTSCEUHF-UHFFFAOYSA-N 338.451 4.242 0 50 EIAA O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1cc(-n2cccc2)ccc1Cl 831410698 MQCQRLZEPUMYDU-GXFFZTMASA-N 342.748 4.059 0 50 EIAA Cc1ccc(-c2cccc(CN(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)c2)o1 1529162100 VSWYPTRXJFPFCI-FGYAAKKASA-N 325.452 4.236 0 50 EIAA CC(=O)N1CCCc2ccc(NCc3ccc(F)c4cccnc34)cc21 2325821721 VETJSYCKECPZLV-UHFFFAOYSA-N 349.409 4.285 0 50 EIAA COC(=O)c1nc(N2CCCCCCCCC2)c2sccc2n1 2325863599 POUUGLJYTKRCTR-UHFFFAOYSA-N 333.457 4.029 0 50 EIAA COC(=O)Nc1cccc(C)c1CNc1cccn2c(C)c(C)nc12 6152 NZQTVUWEPPDOKK-UHFFFAOYSA-N 338.411 4.050 0 50 EIAA investigational Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1F 54654 ZMUBYZHADYNPMC-UHFFFAOYSA-N 328.170 4.458 0 50 EIAA COC(=O)[C@H](C)N(C(=O)c1ccc(Cl)cc1)c1c(C)cccc1C 297730 KVZAQTXIZNXDEJ-AWEZNQCLSA-N 345.826 4.165 0 50 EIAA CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c2ccccc12 384554 XKQPOCQFHUNOGR-UHFFFAOYSA-N 347.480 4.192 0 50 EIAA COc1ccccc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 2850605 HOFSWVXMVQPZEZ-UHFFFAOYSA-N 331.371 4.179 0 50 EIAA O=C(C[C@@](O)(c1ccccc1)C(F)(F)C(F)F)c1cccs1 4197923 NQEQEWWIEDXSKV-CQSZACIVSA-N 332.318 4.109 0 50 EIAA Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 11662195 NAFPTVAGDVXQFR-GFCCVEGCSA-N 349.402 4.070 0 50 EIAA OCC1(CCc2ccccc2)CCN(C/C=C/c2ccccc2)CC1 12507574 CUVQZAIOURJFLM-KPKJPENVSA-N 335.491 4.407 0 50 EIAA Cc1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 13744455 UDBWCNOHEPNEML-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA Cc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)s1 21806054 WWWXOSPQCQCFAA-UHFFFAOYSA-N 335.841 4.481 0 50 EIAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 36621039 DZTJLIHWBNOVJA-LJQANCHMSA-N 340.423 4.463 0 50 EIAA Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C 63847503 ZEGDGNODCCQDKV-UHFFFAOYSA-N 348.450 4.134 0 50 EIAA c1ccc(-c2cnn3cc(CN4CC[C@@H]4c4ccccc4)cnc23)cc1 97681908 WXNHFOFJPISDNA-OAQYLSRUSA-N 340.430 4.343 0 50 EIAA Cc1nc(C(F)(F)F)ccc1C(=O)NCCc1cc2ccccc2o1 170635395 FRJXWWDOWMPZMZ-UHFFFAOYSA-N 348.324 4.128 0 50 EIAA CCn1nc(C)c(NC(=O)c2ccc(OC)c(-c3ccccc3)c2)c1C 172816636 PSNCHJSHJSWSSW-UHFFFAOYSA-N 349.434 4.448 0 50 EIAA CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(F)c(Cl)cc1F 179292365 SUYHEOMTGPMBED-UHFFFAOYSA-N 338.741 4.137 0 50 EIAA CCCC1CCC(N(C)C(=O)c2cnc(-c3ncccn3)s2)CC1 192268414 JVFVHTCKMHKCDJ-UHFFFAOYSA-N 344.484 4.031 0 50 EIAA Cc1ccc(-c2n[nH]c(NC(=O)c3c(F)cccc3Cl)c2C)o1 192483625 AFSQVIZPEHWXMO-UHFFFAOYSA-N 333.750 4.331 0 50 EIAA CSc1ccccc1[C@@H](C)NC(=O)c1cc2ccccc2c(O)n1 241316929 LWDMZHHRIAKWOH-GFCCVEGCSA-N 338.432 4.153 0 50 EIAA O=C(O)C1CCC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 263402650 IPJPKVXJAAFLQU-VMBOVVBDSA-N 329.440 4.056 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(-c2cscn2)c1 299773022 CEZYDXCPFUZBAN-MRXNPFEDSA-N 345.468 4.233 0 50 EIAA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CCCCCCC1 426643095 ZTPIACYWUVHFHD-LJQANCHMSA-N 341.430 4.286 0 50 EIAA CSc1cccc(CN(Cc2cc(C(C)=O)cn2C)C(C)C)c1 952966677 IZWLNKAOSNDAJR-UHFFFAOYSA-N 330.497 4.360 0 50 EIAA CC(C)Oc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 1254941082 BTPWKHJAJPBZDJ-UHFFFAOYSA-N 343.807 4.067 0 50 EIAA O=C(c1ccc(Br)o1)N(c1ccccn1)C1CCCCC1 101557 NMAUUIUCAARPKO-UHFFFAOYSA-N 349.228 4.417 0 50 EIAA COC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@H](C)C2 118429 VNUGIQBEUNAZPX-LBPRGKRZSA-N 343.448 4.220 0 50 EIAA COc1ccccc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 295964 PDJORDMDCIAWPH-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA CC(C)OC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCCC2 355237 MKUDCUWKHLHVJB-UHFFFAOYSA-N 335.469 4.321 0 50 EIAA O=C(Nc1cc(F)ccc1F)Oc1ccc(Br)cc1 398351 CNTIPTJSENVKEW-UHFFFAOYSA-N 328.112 4.338 0 50 EIAA O=C(Nc1cccc2ccccc12)N1CCN(c2ccccc2)CC1 493998 QECIJZFCOJQWJS-UHFFFAOYSA-N 331.419 4.194 0 50 EIAA Cc1ccc(F)cc1NC(=O)CSc1cccc2cccnc12 858633 AEAHAJZYVSDVFE-UHFFFAOYSA-N 326.396 4.413 0 50 EIAA COC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 1001785 XLXHZMFEMMSZJE-UHFFFAOYSA-N 345.398 4.244 0 50 EIAA Cc1cc2ccccc2c[n+]1CCC[n+]1cc2ccccc2cc1C 1668749 MNCOEKAQWWNOIP-UHFFFAOYSA-N 328.459 4.275 0 50 EIAA CC1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 2497142 DWCNCCZAHJEFIA-UHFFFAOYSA-N 330.255 4.411 0 50 EIAA CCCCNC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C 2497414 QCNWMSNWHRFYJJ-UHFFFAOYSA-N 330.453 4.147 0 50 EIAA COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc(OC)c1 2762589 FJGSDMOHZQUDDT-GFCCVEGCSA-N 349.814 4.072 0 50 EIAA COc1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)cc1 2900775 BPYGXSWYYYXKCG-INIZCTEOSA-N 336.218 4.149 0 50 EIAA NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 3133320 ZPTXFEWSANANEN-LJQANCHMSA-N 349.817 4.188 0 50 EIAA CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 3907652 OYHXBOMDNOHTRI-UHFFFAOYSA-N 326.783 4.267 0 50 EIAA O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1F 4542192 DRORUYSFJMPVBY-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA C[C@H](CN1CCC(C(=O)NC2CCCCCC2)CC1)c1ccccc1 4600387 DMLPBHVBMDDOKI-GOSISDBHSA-N 342.527 4.341 0 50 EIAA COc1ccc([C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 5028114 BESJGHIAONTJHR-JHMRYYBSSA-N 343.467 4.097 0 50 EIAA O=C(NC(=S)Nc1cccc(SC(F)F)c1)c1cccs1 5571669 LZSKUOWVLOJSBQ-UHFFFAOYSA-N 344.433 4.190 0 50 EIAA Sc1nnc(-c2cccnc2)n1-c1ccc(Oc2ccccc2)cc1 5927495 DUGDLGOKUQHIQV-UHFFFAOYSA-N 346.415 4.410 0 50 EIAA CC[C@H](C)Nc1ncnc2sc([C@H]3COc4ccccc4O3)cc12 6489583 GBMPWKUUQPHOGO-XHDPSFHLSA-N 341.436 4.414 0 50 EIAA COc1ccccc1Cc1nc(-c2ccc(Br)cc2)no1 6697467 YWVIBUPHJUJEOB-UHFFFAOYSA-N 345.196 4.099 0 50 EIAA C[C@H](Cc1cc(C(=O)N2CCOc3ccccc32)on1)c1ccccc1 12124385 MICCCVUXLKGBFE-OAHLLOKOSA-N 348.402 4.060 0 50 EIAA O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 12561357 DNORKYIRALUIAA-YJBOKZPZSA-N 342.826 4.086 0 50 EIAA COCc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)o1 12714169 SSEIGXNOMPDGOK-OAHLLOKOSA-N 345.414 4.050 0 50 EIAA CCOC(=O)C1CCN(Cc2cc(C(C)C)c(O)c(C(C)C)c2)CC1 12859798 KOFRYHLEOWESOL-UHFFFAOYSA-N 347.499 4.414 0 50 EIAA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1C 16606131 FASBWTLYPBWEJS-ZDUSSCGKSA-N 339.222 4.493 0 50 EIAA CCSc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1 17028255 SHZFHKHQNDVPTN-UHFFFAOYSA-N 349.412 4.302 0 50 EIAA O=C(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 34742349 HCYKJGWQCCFTNV-UHFFFAOYSA-N 348.189 4.260 0 50 EIAA CCN(Cc1ccncc1)C(=O)CSCc1ccccc1Cl 55166412 JETQHNNZBPFEHP-UHFFFAOYSA-N 334.872 4.017 0 50 EIAA CCCCn1ccnc1C1CCN(C(=O)Nc2ccc(F)cc2)CC1 91871815 HFEIIEBTLCIBJY-UHFFFAOYSA-N 344.434 4.234 0 50 EIAA Cn1nccc1C(=O)N(CCC1=CCCCC1)Cc1ccc(F)cc1 97569010 VIROUINBNUQLEN-UHFFFAOYSA-N 341.430 4.092 0 50 EIAA Cc1cc(C(=O)Nc2cnn(-c3ccccc3)c2)c(Cl)cc1F 121403985 RKXOQQSOZXLXMV-UHFFFAOYSA-N 329.762 4.226 0 50 EIAA CN1C(=O)CCc2cc(-c3csc(-c4cccc(O)c4)n3)ccc21 133532649 PUCCABDXLQZZBM-UHFFFAOYSA-N 336.416 4.092 0 50 EIAA Cc1[nH]c2ccc(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)cc2c1C 152951834 TYTAVJHVWNRREG-NQIIRXRSSA-N 348.446 4.435 0 50 EIAA Cn1c([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 170623214 OZJNEMVQBXNKFY-KRWDZBQOSA-N 337.423 4.187 0 50 EIAA CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccc(F)c(F)c1 172876455 NJNRDLRPAOCGDU-UHFFFAOYSA-N 326.346 4.247 0 50 EIAA Cc1cc(C(=O)N2CCCCC[C@@H]2CC(C)C)nc(C(F)(F)F)n1 188209222 BKCDQVQSUKNOPW-CYBMUJFWSA-N 343.393 4.235 0 50 EIAA CC(C)(C)SCCCC(=O)Nc1ccc(-c2nncs2)cc1 241338575 MBXYISAWVKVWKO-UHFFFAOYSA-N 335.498 4.456 0 50 EIAA Fc1ccc(CCN2CCC(OCc3ccccc3)CC2)cc1F 490055834 FVXQJYAPMNBEKM-UHFFFAOYSA-N 331.406 4.189 0 50 EIAA CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(O)c1F)CCO2 872062897 LNTGNQMQZCIEEA-WBMJQRKESA-N 331.387 4.104 0 50 EIAA FC1(F)CCC(Cc2noc(-c3nncc4ccccc34)n2)CC1 904164987 RETJMNCAQLUSLO-UHFFFAOYSA-N 330.338 4.048 0 50 EIAA CC(C)c1cnc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)s1 931085880 XCUYDFIBARSUIT-AWEZNQCLSA-N 331.441 4.341 0 50 EIAA COc1ccc2nc(SCC3([C@@H]4CCCCO4)CC3)sc2n1 1875408006 MHEIBJIBSJVUEP-LBPRGKRZSA-N 336.482 4.141 0 50 EIAA COC(=O)c1nc(N2CCCCCCCCCC2)c2sccc2n1 2325863239 BGDSKCMPEHOPJM-UHFFFAOYSA-N 347.484 4.419 0 50 EIAA O=C([C@@H]1CCNC12CCCC2)N1CC[C@@H](c2cccc3ccccc23)C1 2325870384 VMWXYTSKHFSKBA-NQIIRXRSSA-N 348.490 4.078 0 50 EIAA CCOc1cc(C=O)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 316487 AGPNXGCNVOGDJG-UHFFFAOYSA-N 339.174 4.424 0 50 EIAA C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)s2)CC(C)(C)C1 376615 DFYTWDOEZSZJGX-NXEZZACHSA-N 330.291 4.455 0 50 EIAA CCOC(=O)c1ccc(OC(=O)Nc2ccc(F)c(Cl)c2)cc1 400342 DFAAEWSBUZJKDF-UHFFFAOYSA-N 337.734 4.267 0 50 EIAA O=C(NCc1ccccn1)c1ccc(CSc2ccccc2)cc1 452536 NNPXFRFECJHVQV-UHFFFAOYSA-N 334.444 4.304 0 50 EIAA CCOc1ccc(Br)cc1C(=O)N[C@H](C)c1ccccc1 617456 MIKGXKORVQITLI-GFCCVEGCSA-N 348.240 4.339 0 50 EIAA COc1cccc(OC)c1OCCOc1cc(C)c(Cl)cc1C 2985633 OKDOEGDWEIGSNU-UHFFFAOYSA-N 336.815 4.432 0 50 EIAA CC(C)(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 4841224 JUSUNOBGWKKTCV-UHFFFAOYSA-N 347.484 4.041 0 50 EIAA COC(=O)c1cc(NC(=O)c2ccccc2SC)ccc1Cl 5050954 LWRZZLIBWJOQKP-UHFFFAOYSA-N 335.812 4.101 0 50 EIAA CCOC(=O)c1c(-c2ccccc2)c2oc3ccccc3c2[nH]c1=O 13596721 GGKFVOOJBIBBBR-UHFFFAOYSA-N 333.343 4.118 0 50 EIAA COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c1 13744473 KDABDOUJRXKEOG-GFCCVEGCSA-N 349.814 4.072 0 50 EIAA Cc1cc(C)c(NC(=O)[C@@H](C)NC2C3CC4CC(C3)CC2C4)c(C)c1 16663586 RJKNNLUENODBCD-SPZRFILISA-N 340.511 4.353 0 50 EIAA CC1=C(C[C@H]2CC(=O)NCc3nc4sccn4c32)C(C)(C)CCC1 65405400 PBUKFLKOBHUETC-ZDUSSCGKSA-N 343.496 4.416 0 50 EIAA CCc1c(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)[nH]c2ccccc12 67921717 BDAGVGAPZGXXIV-KRWDZBQOSA-N 347.462 4.220 0 50 EIAA CC(C)c1nnsc1CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 72171316 DHUREVGVMLJRKZ-AWEZNQCLSA-N 345.447 4.014 0 50 EIAA c1ccc2sc([C@@H]3CCCN3Cc3cccc4nonc34)nc2c1 77320049 RIGZUVYMMRKONX-HNNXBMFYSA-N 336.420 4.170 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2csc(C(C)=O)c2)c1 77420406 LSINEKLGEWCXGY-QGZVFWFLSA-N 343.448 4.327 0 50 EIAA Cc1ccc(C)c(C(=O)N2CCC(c3nccn3C(C)C)CC2)c1 91519368 NAGVEILVJQJJPA-UHFFFAOYSA-N 325.456 4.101 0 50 EIAA CCC(CC)CN1CCC[C@@H](c2nccn2Cc2cscn2)C1 95355024 SWNPVJSGHHGCAU-MRXNPFEDSA-N 332.517 4.004 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N3CCC[C@@]4(CCCO4)CC3)cc2)o1 97076249 YFESKOPTMQSUSV-OAQYLSRUSA-N 339.435 4.430 0 50 EIAA Clc1cccc(-c2noc(C[C@@H]3OCCc4ccccc43)n2)c1 115178024 FQUCCRPYASVZJL-INIZCTEOSA-N 326.783 4.247 0 50 EIAA O=C(Nc1cccc(Cl)c1Cl)N(C[C@@H]1CCOC1)C1CC1 123074411 MRHJWKVIFIBIOX-JTQLQIEISA-N 329.227 4.026 0 50 EIAA Cc1cc(C)c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c(C)n1 128506398 VAVNGGJAWZYPBK-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCCC[C@@H]1c1ncon1 184176732 PMWJUPVICPVVIB-YLFCFFPRSA-N 331.460 4.120 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2 201039181 AKBSLIJZNHJRCT-HXUWFJFHSA-N 330.472 4.052 0 50 EIAA in-vitro CCc1ccc(CN(C)Cc2ccc(CN3CCCCC3)s2)nc1 216484528 WKSFALWAMSLPJY-UHFFFAOYSA-N 343.540 4.323 0 50 EIAA COc1cc2c(cc1CN[C@@H]1CCCC[C@H]1C(F)(F)F)O[C@H](C)C2 252517522 KNQCITVAWDNUOT-KCPJHIHWSA-N 343.389 4.229 0 50 EIAA CC(C)c1cc(CN(C)C(=O)Cc2ccccc2C(F)(F)F)on1 299767433 KZFFMJLJCHQROG-UHFFFAOYSA-N 340.345 4.018 0 50 EIAA CC(C)(C)OC(=O)N(Cc1cc(F)cc(Br)c1)C1CC1 382677788 ZRPBTQDUAREUAF-UHFFFAOYSA-N 344.224 4.488 0 50 EIAA CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(O)n1 426493100 DQKLLNVGKHPLBC-QGZVFWFLSA-N 338.451 4.176 0 50 EIAA C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C(C)(C)C)CC1 1169307444 VDIMXQRFXWHQEQ-AWEZNQCLSA-N 336.907 4.103 0 50 EIAA CN(C)C(=O)Cc1ccc(Nc2ccc(Oc3ccccc3)nc2)cc1 1176375930 WQBHKPKCJWZKDK-UHFFFAOYSA-N 347.418 4.248 0 50 EIAA CCCCN(Cc1ccsc1)C(=O)c1cccc2c1CCC2=O 1506427580 NMWFEWMQNPSVEZ-UHFFFAOYSA-N 327.449 4.320 0 50 EIAA OC[C@H](c1ccccc1)n1ccnc1-c1cccc(CC(F)(F)F)c1 1857703049 GOUZLSLZMKMOPI-QGZVFWFLSA-N 346.352 4.237 0 50 EIAA Cn1c(O)nc2ccc(-c3cccc(C4(CN)CCCCC4)c3)cc21 1875349841 PBRHPOCWODSTQR-UHFFFAOYSA-N 335.451 4.107 0 50 EIAA Cc1cc(C)cc(NC(=O)CSc2nccn2-c2ccccc2)c1 427345 VHRGGTDGARUYFT-UHFFFAOYSA-N 337.448 4.220 0 50 EIAA CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 452876 FNZZQXQATJDDAR-UHFFFAOYSA-N 349.434 4.030 0 50 EIAA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1Cl 453449 JYARWOCDTXUWMR-UHFFFAOYSA-N 348.855 4.174 0 50 EIAA CCn1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cn1 2806620 OJAWLNYCFYYEOY-OAHLLOKOSA-N 348.450 4.133 0 50 EIAA COc1ccc(-c2noc(CCSCc3ccccc3)n2)cc1 6697089 XEVUUTUMISSOHQ-UHFFFAOYSA-N 326.421 4.221 0 50 EIAA Cc1ccc(-c2noc(CNC(=O)Nc3ccc(Cl)cc3)n2)cc1 6698007 XPRWDBCCFHLEQF-UHFFFAOYSA-N 342.786 4.020 0 50 EIAA CN(Cc1cccs1)N1C(=O)[C@H](c2ccccc2)c2ccccc21 44125131 LAFAJOAOESQLLN-LJQANCHMSA-N 334.444 4.274 0 50 EIAA CCc1cc([C@@H](C)NC(=O)CSCc2ccccc2Cl)on1 55413712 HVNZIWNSVIJCPR-LLVKDONJSA-N 338.860 4.001 0 50 EIAA CC[C@@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CCN1C(C)C 72165234 NEVNKQZKEMJKRR-GFCCVEGCSA-N 331.287 4.004 0 50 EIAA Cc1nc(CN2CCC(c3n[nH]cc3-c3ccccc3C)CC2)co1 77439552 HCJHALTZEOGRDC-UHFFFAOYSA-N 336.439 4.061 0 50 EIAA Cc1cc(C)n([C@@H]2CCN(c3nc(-c4ccc(F)cc4)cs3)C2)n1 77503829 TYLMYIULZMWSOP-MRXNPFEDSA-N 342.443 4.214 0 50 EIAA Cc1cc2cccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2o1 91644097 VBQYWQRAZQJAIP-UHFFFAOYSA-N 345.402 4.199 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCC(Nc4ccccn4)CC3)oc2c1 91746067 ZWXTYKDBRYAULZ-UHFFFAOYSA-N 349.434 4.161 0 50 EIAA CCn1nc(C2CCOCC2)nc1-c1ccc(Oc2ccccc2)o1 96141858 GNBOIOYVQVLUJR-UHFFFAOYSA-N 339.395 4.244 0 50 EIAA COc1ccc(-c2nc(C(=O)N(C)c3ccccc3F)c(C)o2)cc1 118218935 SDYPFEOKJFHWJZ-UHFFFAOYSA-N 340.354 4.074 0 50 EIAA Cc1ccc(OC2CCN(C(=O)C3CCC(F)(F)CC3)CC2)cc1 135030839 HTICJMRRJYWYRC-UHFFFAOYSA-N 337.410 4.190 0 50 EIAA Cc1ccc(C)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c1 169755500 KNDCZSGBDSHGQM-UHFFFAOYSA-N 346.434 4.151 0 50 EIAA C[C@@H](CNC(=O)C1(C)CCCCCC1)c1nc(-c2ccccc2)no1 181093418 GPBLPCQKWCLBOS-HNNXBMFYSA-N 341.455 4.317 0 50 EIAA Cc1ccc2cc(CNc3ccc4c(c3)CCC(=O)N4C)ccc2n1 189395410 NJFMAAJIZNSOFQ-UHFFFAOYSA-N 331.419 4.064 0 50 EIAA C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 239038942 FDZKCQHNVWZCIJ-PUWNRTSRSA-N 345.442 4.172 0 50 EIAA Fc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c(F)c1 239426002 VOXCPUZBKUNEOO-PMACEKPBSA-N 334.454 4.194 0 50 EIAA Cc1cccc(-c2cc(NC(=N)S)n(-c3ccc(F)cc3)n2)c1 328579170 XTWJGWWCEDKOKC-UHFFFAOYSA-N 326.400 4.263 0 50 EIAA in-vitro O=C(NC[C@H](c1ccccc1)C1CCCC1)N1CC(c2ccncc2)C1 534637353 BKQNSRJHGDIQQK-OAQYLSRUSA-N 349.478 4.164 0 50 EIAA c1cncc([C@H]2CCCN2Cc2cc(CN3CCCCC3)cs2)c1 820414279 ZZWOYYBUIOKKNV-HXUWFJFHSA-N 341.524 4.466 0 50 EIAA O=C(N[C@@H](c1ccncc1)C1CC1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 894574139 AAWYACKCUFMYJV-RCCFBDPRSA-N 341.842 4.041 0 50 EIAA CNc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 1775976011 IDKVSNUQPZFREL-UHFFFAOYSA-N 344.827 4.153 0 50 EIAA COc1cnc(C)cc1C(=O)N1CCCCC[C@@H]1c1cccc(F)c1 1857679020 QKYIZOBNQGRQCK-GOSISDBHSA-N 342.414 4.295 0 50 EIAA O=C(CCc1cncs1)NCCCc1ccc(Cl)c(Cl)c1 2325746556 YXYOZVNVQPXDGQ-UHFFFAOYSA-N 343.279 4.132 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCC2 98191 XCSWZLAAVVFVNO-UHFFFAOYSA-N 343.448 4.283 0 50 EIAA Cc1cc(OCC(=O)Nc2ccc(N(C)C)cc2)ccc1C(C)C 142427 UPDSGCSYWKPKIW-UHFFFAOYSA-N 326.440 4.202 0 50 EIAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1 191636 ACLUEOBQFRYTQS-JTQLQIEISA-N 347.436 4.443 0 50 EIAA in-vitro CCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 239292 MNPKPPLLEWKFAS-UHFFFAOYSA-N 330.859 4.061 0 50 EIAA Cc1cccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1Cl 301864 PLDXHJTUGWOGCX-CYBMUJFWSA-N 348.229 4.424 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)C)c2)c1 304121 XKYUPHCCEIRFAK-UHFFFAOYSA-N 340.423 4.465 0 50 EIAA COc1ccc(C(NC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 337609 GLLOENVYNPGGNE-UHFFFAOYSA-N 347.414 4.223 0 50 EIAA O=C(Cc1ccccc1)Oc1ccc(Cl)cc1Br 586813 MMLOXHYYIQPWBA-UHFFFAOYSA-N 325.589 4.251 0 50 EIAA CSc1nnc(NC(=O)c2oc3ccc(Cl)cc3c2C)s1 615670 WTVDPCBYYLETSU-UHFFFAOYSA-N 339.829 4.220 0 50 EIAA CSc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1 2383609 MGWPZAIUUGOQSU-DHZHZOJOSA-N 336.460 4.262 0 50 EIAA O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 2841317 KHCHUMLGEKVZQI-UHFFFAOYSA-N 327.380 4.294 0 50 EIAA CCCCOCCCNC(=O)C1c2ccccc2Oc2ccccc21 2991652 HILFERQWKQLJLJ-UHFFFAOYSA-N 339.435 4.247 0 50 EIAA O=C(O)Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1 3750821 MJIBFVVTWAHLOE-UHFFFAOYSA-N 348.398 4.472 0 50 EIAA CC1(C)CC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)N1 4619774 FYQRCRGUPBVYTH-UHFFFAOYSA-N 344.286 4.424 0 50 EIAA CCCCC[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O 4655426 SYAWGTIVOGUZMM-UMIKWQAVSA-N 338.488 4.382 0 50 EIAA endogenous,in-man Fc1ccccc1-c1nnc2sc(/C=C/c3cccs3)nn12 4838347 DITJWMMARQWHLR-BQYQJAHWSA-N 328.397 4.224 0 50 EIAA Cc1cc(C)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 6715792 IZNKLNMJMUPBIS-UHFFFAOYSA-N 342.870 4.228 0 50 EIAA CSc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 13669383 ZQRITGLUGXKTEZ-AWEZNQCLSA-N 335.494 4.065 0 50 EIAA CC[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CCCC2)c1 55385063 HEJXKECMXYEEDX-SFHVURJKSA-N 328.456 4.220 0 50 EIAA c1ccc(-c2ccc(-c3nccn3CCc3cnccn3)s2)cc1 71765406 SQFFIVUPMRCFRO-UHFFFAOYSA-N 332.432 4.311 0 50 EIAA CCc1nc(CCn2ccnc2-c2oc3ccc(C)cc3c2C)no1 77452727 ZMEZPWXDMXGCRD-UHFFFAOYSA-N 336.395 4.101 0 50 EIAA Cc1nc2cc(C(=O)N[C@@H](c3ncccc3C)C3CC3)ccc2s1 97632171 GXSIKXCBIUMREP-GOSISDBHSA-N 337.448 4.189 0 50 EIAA CC(=O)c1cc(CC(=O)N2CCC[C@@H]2c2ccccc2C)cs1 97775670 BUMGYNXEJRWRKC-QGZVFWFLSA-N 327.449 4.165 0 50 EIAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2cnn(C)c2C)ccc1F 102735572 ABBUJGWWVISJGR-GGPHIMKMSA-N 327.447 4.087 0 50 EIAA COc1cc([C@H](C)NCCN2CCCCC2)ccc1SC(F)F 128276465 LFIHOMMHUZROBY-ZDUSSCGKSA-N 344.471 4.146 0 50 EIAA Cc1ccc(C)c([C@H]2CCCN2C(=O)NCc2cc(C(C)C)no2)c1 134755687 RARGQLBINRZYLZ-LJQANCHMSA-N 341.455 4.462 0 50 EIAA CCN(C(=O)c1ccc(-c2cncnc2)cc1F)c1ccccc1C 185712807 SNQPKWDLJAZQJB-UHFFFAOYSA-N 335.382 4.258 0 50 EIAA C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cn1 225551888 REGRFAAJAQGOST-MFKMUULPSA-N 344.381 4.049 0 50 EIAA O=C(c1ccoc1)N1CCC(Nc2ccc(C3CC3)c(F)c2)CC1 252490739 KZZRZNJNQWGUTG-UHFFFAOYSA-N 328.387 4.013 0 50 EIAA CC(C)(C)n1nc(C(=O)N2CC[C@@H]2c2ccccc2F)cc1C1CC1 252537516 LMMLIDSDFXCOQP-QGZVFWFLSA-N 341.430 4.242 0 50 EIAA O=C(Cc1cccc(C(F)F)c1)N(CC(F)(F)F)c1ccccn1 253430241 VVNVIXFGSIKAOW-UHFFFAOYSA-N 344.283 4.157 0 50 EIAA O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccn1C1CC1 299782273 SKELROUNFHKHPT-KRWDZBQOSA-N 336.435 4.389 0 50 EIAA C[C@@H](c1cccc(F)c1)N1CCC(c2ccccc2C(=O)O)CC1 375365462 GNCGFVNCOJIVFG-AWEZNQCLSA-N 327.399 4.465 0 50 EIAA COc1cccc(C2(F)CCN(C(=O)c3cc[nH]c3C3CC3)CC2)c1 375822229 DJXYMFGZHONOHD-UHFFFAOYSA-N 342.414 4.002 0 50 EIAA O=C(O)C/C(=C\c1scnc1C1CC1)c1nc2ccccc2o1 447364946 FGWIMKJYABCQIW-YRNVUSSQSA-N 326.377 4.177 0 50 EIAA Cc1cc(F)ccc1N1CCC(NCc2cc(C(C)C)on2)CC1 1506403917 PMTVZTBYMHCGEA-UHFFFAOYSA-N 331.435 4.004 0 50 EIAA O=C1O[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)O)c2ccccc21 153458 BDWDJDAQUSMMIO-KGLIPLIRSA-N 337.158 4.073 0 50 EIAA COc1ccc(CN[C@@H]2CC(C)(C)OC[C@@H]2Cc2ccccc2)cc1 197361 YXAXNNGFZSMSET-PZJWPPBQSA-N 339.479 4.211 0 50 EIAA CC1(C)Cc2ccccc2-c2nnc(-c3ccc4ccccc4n3)n21 241521 JVNXINFPUCFCFH-UHFFFAOYSA-N 326.403 4.452 0 50 EIAA O=c1c2c(nc3n1CCCCC3)-c1ccccc1CC21CCCCC1 330295 DTKMVWZKEUHMRJ-UHFFFAOYSA-N 334.463 4.395 0 50 EIAA biogenic COc1ccc(C(=O)O)cc1COc1cccc(Cl)c1Cl 373443 NONUROIRQJYEIL-UHFFFAOYSA-N 327.163 4.279 0 50 EIAA O=C(CSCc1c(Cl)cccc1Cl)Nc1cccnc1 555147 CGUDBVFGZLGGMF-UHFFFAOYSA-N 327.236 4.260 0 50 EIAA CCc1cc(OCCOCCN2C[C@H](C)C[C@@H](C)C2)ccc1Cl 2823027 QRLNFGUEUKAUKK-HZPDHXFCSA-N 339.907 4.276 0 50 EIAA COc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 2881759 VQYTYFLLLMWANP-UHFFFAOYSA-N 325.195 4.324 0 50 EIAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCCCC1 5573314 DBTYDRUKBWZSOY-UHFFFAOYSA-N 333.391 4.030 0 50 EIAA COc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1OC 11692732 PKVKTJFYCVAZML-UHFFFAOYSA-N 325.364 4.319 0 50 EIAA CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cc(CC)no1 64985082 WXNUTMAYTHILQV-HNNXBMFYSA-N 329.400 4.005 0 50 EIAA COc1ccccc1CCNc1nc(C(F)(F)F)nc2ccccc12 71195428 GYHVSZLZLSEAMT-UHFFFAOYSA-N 347.340 4.312 0 50 EIAA c1csc(-c2ncc(-c3nccn3CC[C@@H]3CCCCO3)cn2)c1 71771727 FPCWXRLXZDKQAT-HNNXBMFYSA-N 340.452 4.028 0 50 EIAA Clc1ccccc1OC1CN(Cc2ccc([C@@H]3CCCCO3)o2)C1 72153448 JMTOJAIVPFDWGO-SFHVURJKSA-N 347.842 4.438 0 50 EIAA CCCc1nc(C(=O)N2CCCC[C@H]2c2cccc(OC)c2)cs1 77469877 QDDCSNZGMBQZEW-KRWDZBQOSA-N 344.480 4.472 0 50 EIAA COc1ccc2cc(-c3n[nH]cc3CN3C[C@H]4CC[C@H]3C4)ccc2c1 101497547 WUIXRGKKXYDCBL-LIRRHRJNSA-N 333.435 4.223 0 50 EIAA CN(C)c1ccccc1N(C)C(=O)c1ccc2ccc(Cl)cc2n1 128863153 SEEPBIOOHDZMTC-UHFFFAOYSA-N 339.826 4.231 0 50 EIAA CSc1cccc(C)c1NC(=O)N[C@H]1CCOC2(CCCC2)C1 184945708 OYWJXJAXGJYMAH-AWEZNQCLSA-N 334.485 4.330 0 50 EIAA Cc1cnc(CNc2cccc(C[S@](=O)c3ccccc3)c2)s1 194733862 HXYOCINVDOGESL-QHCPKHFHSA-N 342.489 4.371 0 50 EIAA O=C(c1cc2cc(Cl)ccn2n1)N1CCC[C@H]1c1cccs1 225797946 LMKKTQXDZKCRFP-AWEZNQCLSA-N 331.828 4.027 0 50 EIAA O=C(Nc1ccc(-c2ccco2)cc1F)N[C@@H]1CCO[C@@H](C2CC2)C1 253432012 ILWULWURFSINEV-RDTXWAMCSA-N 344.386 4.165 0 50 EIAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 408557493 NBLBCZLUMNTSJP-UHFFFAOYSA-N 339.844 4.156 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)c1ccccc1C(F)F 2325842387 WVCWYZQBRQPUDF-JKSUJKDBSA-N 333.422 4.434 0 50 EIAA O=C(Nc1cncc(Cl)c1)c1ccnc(SCC(F)(F)F)c1 2325875760 BIGQNEVUMCXNKE-UHFFFAOYSA-N 347.749 4.037 0 50 EIAA O=C(Nc1ccccn1)[C@H]1CC2c3ccccc3C1c1ccccc12 327376 WKPBIALGYQFOJI-SCCNAQOGSA-N 326.399 4.317 0 50 EIAA CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccncc1 422461 ZJOWVRUGKJZBDP-UHFFFAOYSA-N 348.834 4.445 0 50 EIAA CC(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1 457566 LOFOEHRRHUEIPY-UHFFFAOYSA-N 328.751 4.347 0 50 EIAA CC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 476468 GOYPCSNMECNXHX-INIZCTEOSA-N 348.240 4.095 0 50 EIAA Fc1cccc(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 610030 KOCCBWMKLHSYAN-UHFFFAOYSA-N 328.456 4.477 0 50 EIAA Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 1002012 DSKMNQVYQXWPOT-ZDUSSCGKSA-N 348.240 4.472 0 50 EIAA COc1cccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)c1 1384261 HQWXNSULELFKFF-UHFFFAOYSA-N 341.720 4.386 0 50 EIAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)(C)C 4487177 BSDILMXDTBLHQK-UHFFFAOYSA-N 335.835 4.173 0 50 EIAA O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cccc2ccccc12 4724372 IGZCDZIYCVPQKN-LSDHHAIUSA-N 329.783 4.012 0 50 EIAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cc(C)cc(C)c1 7759911 GDJKLUPAROOUQY-UHFFFAOYSA-N 349.434 4.324 0 50 EIAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(O)cc3)C2)cc1 14960725 HFGABUYPFWXEFG-QGZVFWFLSA-N 341.476 4.209 0 50 EIAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 18247380 KMLOBSGHLLHBMB-AOOOYVTPSA-N 331.721 4.038 0 50 EIAA CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cccc2nonc12 65384462 TWNJMYPWNMQFMW-HNNXBMFYSA-N 348.406 4.351 0 50 EIAA Cc1c([C@H]2CC(=O)Nc3c2c(C2CC2)nn3C)sc2ccccc12 65526258 TUTOGDBSMDVCLH-ZDUSSCGKSA-N 337.448 4.295 0 50 EIAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(CSC)o2)c1 77419567 PVUHFIKJRHTVNM-INIZCTEOSA-N 331.437 4.129 0 50 EIAA C[C@@H](c1cncs1)N(C)C(=O)COc1ccc(Cl)cc1Cl 91535326 HWXIMBUASNVTFQ-VIFPVBQESA-N 345.251 4.048 0 50 EIAA N[C@@H](CC1CCCCC1)c1cccc(I)c1 125898369 WHIYTFODUFBWGA-AWEZNQCLSA-N 329.225 4.261 0 50 EIAA COc1ccccc1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 225503254 GNDDHLMCITYLCB-MRXNPFEDSA-N 327.428 4.073 0 50 EIAA C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](C(F)(F)F)C1 229679916 FAYQCTPDKHVNEW-DGCLKSJQSA-N 325.334 4.072 0 50 EIAA Cc1cc(C)nc(CN(C)CCC(=O)Nc2ccccc2C(C)C)c1 244884135 YGBGLFVDBBVXTK-UHFFFAOYSA-N 339.483 4.282 0 50 EIAA Cc1noc(C)c1-c1cccc(C(=O)N(Cc2ccncc2)C2CC2)c1 299787107 OXYGGBOMHGNBBQ-UHFFFAOYSA-N 347.418 4.158 0 50 EIAA Cc1noc(C)c1[C@H](C)CNC(=O)N1CC2(CCC2)c2ccccc21 364933720 ZFLUIXIPEXLXDN-CYBMUJFWSA-N 339.439 4.046 0 50 EIAA COc1cccc([C@H]2C[C@H](N(C)C(=O)CCCC(F)(F)F)C2)c1 456921794 LGUMJDIXPXQRMN-HDJSIYSDSA-N 329.362 4.132 0 50 EIAA C[C@@H](CNC(=O)c1ccccc1)c1noc(C2CCCCCC2)n1 680779501 JAQHCPWWATXLRY-AWEZNQCLSA-N 327.428 4.041 0 50 EIAA CC[C@@H](NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1ccc(C)cc1 822655554 WORFGHDNHRCPCG-LJQANCHMSA-N 340.467 4.462 0 50 EIAA Cc1ccc(NC2(C(=O)NCc3ccncc3C)CCCCC2)cc1 952965590 SCPRUGAJWABGLH-UHFFFAOYSA-N 337.467 4.130 0 50 EIAA Cn1cc(-c2cccc(NCc3cc(-c4ccccc4)n[nH]3)c2)cn1 1875317061 OBGWRPMSXMDVCK-UHFFFAOYSA-N 329.407 4.089 0 50 EIAA C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)O 139487 SVGBNTOHFITEDI-MRVPVSSYSA-N 328.151 4.033 0 50 EIAA CCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 188878 PMJWJSGUSGWHGJ-UHFFFAOYSA-N 330.236 4.357 0 50 EIAA Cc1nnc(C)c2c(C)n(-c3cc(Br)ccc3O)c(C)c12 313715 RSZAMZFGILJBHJ-UHFFFAOYSA-N 346.228 4.122 0 50 EIAA Cc1csc(NC(=O)c2cc(Br)c(C)c(C)c2C)n1 453298 TVGOXCCYBOWUTL-UHFFFAOYSA-N 339.258 4.392 0 50 EIAA O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(F)cc1 472701 JHYVTVUWIOUKPT-UHFFFAOYSA-N 348.377 4.008 0 50 EIAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)OC)c1ccccc1CC2 499852 DVDVCFMNPGWLAQ-UHFFFAOYSA-N 340.379 4.258 0 50 EIAA biogenic Cc1ccc(-c2nc(NC(=O)c3cn(C)nc3C)sc2C)cc1C 2765337 MYFYHBPQVIMONN-UHFFFAOYSA-N 340.452 4.030 0 50 EIAA Cc1ccc([C@@H](C)NC(=O)c2ccn(COc3ccccc3)n2)c(C)c1 2800437 GPEHKRCXWIVZQB-QGZVFWFLSA-N 349.434 4.027 0 50 EIAA CCCOc1cccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1 2849955 NUBFSYCEJJCALV-BOPFTXTBSA-N 341.794 4.473 0 50 EIAA O=C(Nc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 14002798 OPIJPZOPNKIGJM-UHFFFAOYSA-N 337.423 4.347 0 50 EIAA CCCCCC(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 48422299 KVSXQUQQUTVGHI-UHFFFAOYSA-N 332.492 4.070 0 50 EIAA Cc1oc(-c2ccco2)nc1Cn1c([C@@H]2CCCO2)nc2ccccc21 67758770 PWOORPPMNAJVHF-KRWDZBQOSA-N 349.390 4.493 0 50 EIAA COc1ccc([C@@H](C)NC(=O)Nc2c(C)cc(C)nc2C)cc1F 95506498 NWBCBQJFIDULBT-GFCCVEGCSA-N 331.391 4.037 0 50 EIAA O=C(c1ccc(F)c2ccccc12)N1CCC(N2CCCCC2)CC1 241371306 MMIYHKDVGBPDRR-UHFFFAOYSA-N 340.442 4.069 0 50 EIAA O[C@]1(c2ccccc2)CC[C@H](c2ccccc2)[C@]1(O)c1ccccc1 248070137 XQYDCDIWHVZGRN-XPWALMASSA-N 330.427 4.340 0 50 EIAA CC(C)[C@@H](NC(=O)c1ccc2ccn(C)c2c1)c1nc2ccccc2[nH]1 252491261 LJWYWTKUEKESOE-LJQANCHMSA-N 346.434 4.182 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 253498110 MENYRVLDWKVWLK-KPFOFQKXSA-N 334.500 4.322 0 50 EIAA CN(Cc1cccc(C(=O)O)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 263397788 HDNJNNHQUTUYGW-OALUTQOASA-N 339.435 4.063 0 50 EIAA CSc1ccc(CNC(=O)N2CCCC[C@H]2c2cccnc2)cc1 426465113 GGWZSZVKETZVQP-SFHVURJKSA-N 341.480 4.240 0 50 EIAA CCNCc1ccccc1NC(=O)N1CCC(C)(C)CC(C)(C)C1 659017682 AGODULCJSSJGMN-UHFFFAOYSA-N 331.504 4.476 0 50 EIAA O=C(C[C@H]1CCc2ccccc21)Nc1cccc(CN2CCCC2)c1 827807435 SZDVIRQQWMPTBQ-LJQANCHMSA-N 334.463 4.341 0 50 EIAA Cc1cnc(NC(=O)c2nc(C)sc2-c2ccc(F)cc2)s1 888104065 YXYIPNNMAYMGIP-UHFFFAOYSA-N 333.413 4.275 0 50 EIAA CCn1ncc(-c2nc(-c3cccc(Cl)c3OC)no2)c1C1CC1 904186637 RSQCSHXCINHJSO-UHFFFAOYSA-N 344.802 4.159 0 50 EIAA Cc1cc2oc(C(=O)Nc3cc(F)c(F)c(F)c3)cc(=O)c2cc1C 1857799584 MJWPGPHVDOOJDT-UHFFFAOYSA-N 347.292 4.079 0 50 EIAA O=C(N[C@@H]1CCNC2(CC2)C1)c1cc2sc3ccccc3c2s1 1875287551 OKLODCFNMVPGIQ-LLVKDONJSA-N 342.489 4.130 0 50 EIAA C[C@@H]1CCc2nc(C(=O)OCC3CC4(C3)CC43CCC3)ccc2C1 1875357860 ZKJRZCBNPMFEPB-UMRPUCSYSA-N 325.452 4.334 0 50 EIAA CC(C)Oc1cnccc1C(=O)OCc1ccc(OCC2CC2)cc1 2325742977 FYTZYRRPDYEJQL-UHFFFAOYSA-N 341.407 4.015 0 50 EIAA O=S(=O)(c1ccccc1-c1ccccc1)N1CC(C2CCCC2)C1 2325870431 XYHTYZVBQLSRJU-UHFFFAOYSA-N 341.476 4.164 0 50 EIAA CCNC(=S)Nc1ccc(OCc2nc3ccccc3s2)cc1 386508 HRGDKPJSKKORCR-UHFFFAOYSA-N 343.477 4.182 0 50 EIAA Cc1ccc(N2C(=O)c3ccccc3[C@]2(O)Cc2ccccc2)cc1 611455 GSUQJDDJNCUTFI-JOCHJYFZSA-N 329.399 4.043 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2oc3ccc(F)cc3c2C)cc1 1057181 JWXTZYUOZPQIRP-UHFFFAOYSA-N 341.338 4.309 0 50 EIAA COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1OC(F)F 2800486 MEKAPUJTOASBGH-UHFFFAOYSA-N 327.714 4.202 0 50 EIAA COc1cc(OC)c(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1Cl 2881266 UIZSUDLUEMOWSX-GFCCVEGCSA-N 349.814 4.072 0 50 EIAA COc1cc2c(cc1OC)CN(Cc1cccc3ccccc13)CC2 4834210 BBCSRHLFAPAGES-UHFFFAOYSA-N 333.431 4.415 0 50 EIAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 7308936 JWXCAQZLNBVHDG-MRVPVSSYSA-N 336.265 4.094 0 50 EIAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 14979755 BTHNGCPSLGVCOF-FQEVSTJZSA-N 336.479 4.194 0 50 EIAA N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1Cl 17068494 WBTYWWRKCZPDSM-UHFFFAOYSA-N 333.174 4.471 0 50 EIAA Cc1cnccc1Cn1ccc(-c2cccc(-c3nccnc3C)c2)n1 23542469 NPPQSEPLUFDXIT-UHFFFAOYSA-N 341.418 4.067 0 50 EIAA c1ccc([C@@H](NC2CCC3(CCNCC3)CC2)c2ccncc2)cc1 67854802 DVSQIXQVCROMIX-OAQYLSRUSA-N 335.495 4.073 0 50 EIAA CC(C)Cc1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)no1 95501521 WWUNOGQSKJWKIO-HXUWFJFHSA-N 326.440 4.067 0 50 EIAA O=C(N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1)N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1 102970377 OCLJVESFZXJORW-DUZKCHJRSA-N 328.500 4.223 0 50 EIAA COC(=O)[C@]12N=NC(c3ccccc3)(c3ccccc3)[C@]1(C)C2(C)C 103604878 BNLSWDBNYNFCTH-PZJWPPBQSA-N 334.419 4.354 0 50 EIAA Cc1cccc2c1OCC[C@H]2NCc1cc(Cl)c2c(c1)OCCO2 188877140 SDMRGVIRZIVONH-MRXNPFEDSA-N 345.826 4.033 0 50 EIAA COC[C@@H](NC(=O)Nc1c(C)noc1C1CC1)c1ccc(Cl)cc1 193657985 PHNCOEKRUCKWJD-CQSZACIVSA-N 349.818 4.023 0 50 EIAA C[Si](C)(C)c1cc2c(s1)-c1sc([Si](C)(C)C)cc1C2=O 198553154 DACCRRMOIJDULI-UHFFFAOYSA-N 336.630 4.111 0 50 EIAA Fc1ccccc1N1CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 215412563 QOEOVFIEGBCHIX-GOSISDBHSA-N 346.471 4.061 0 50 EIAA CN(C)Cc1ccc([C@@H]2CCCN2Cc2ccncc2Cl)cc1 215648518 MLTCTFXQUXSSEC-IBGZPJMESA-N 329.875 4.134 0 50 EIAA Cc1cccc(Oc2ccc(C(=O)N3CC[C@H](C(C)(C)O)C3)cc2)c1 219557898 MUMRVFQQORFVER-KRWDZBQOSA-N 339.435 4.020 0 50 EIAA CCc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 239415235 UAPMFWFLFBRFLV-VXKWHMMOSA-N 326.528 4.478 0 50 EIAA CC[C@H](C)c1ccc(NC(=O)CN(Cc2ccccn2)C2CC2)cc1 252487804 IBSNWTRVBPIJNQ-INIZCTEOSA-N 337.467 4.198 0 50 EIAA CCCc1nc(C)c(C(=O)N2CCCCC[C@H]2c2ccncc2)o1 292734051 QEPUEYGRJVFNRD-INIZCTEOSA-N 327.428 4.088 0 50 EIAA Cc1ccc(F)c(NC(=O)Cc2cccs2)c1Br 408515376 KWTRAQRFDOFSLI-UHFFFAOYSA-N 328.206 4.139 0 50 EIAA C[C@@H](NC(=O)c1c2ccccc2nn1C)c1cccc(C(F)(F)F)c1 473844519 RKDXJYYSYSKRLD-LLVKDONJSA-N 347.340 4.083 0 50 EIAA Cc1cc2cc(CNC(C)(C)C(=O)NCC(C)(C)C)oc2cc1C 1461355348 ARZUQHMKVCGJNL-UHFFFAOYSA-N 330.472 4.080 0 50 EIAA C[C@@H]1CCCC[C@H]1NC[C@H](O)Cn1c2ccccc2c2ccccc21 1775971312 NFPIWQGYLSUJCJ-FUHIMQAGSA-N 336.479 4.324 0 50 EIAA CC(C)(C)c1cc(-c2noc(CSc3cccc(F)c3)n2)[nH]n1 1875332489 VCCLXYOQTGYQQW-UHFFFAOYSA-N 332.404 4.189 0 50 EIAA Cc1ccncc1/C=C/C(=O)N(CCc1ccccc1)c1nccs1 2325732498 COLWJLRLXUSKAF-BQYQJAHWSA-N 349.459 4.136 0 50 EIAA CCOc1ccccc1NC(=O)c1c(N)sc2c1CCCCC2 233409 ZQGSEYYFJVLQJI-UHFFFAOYSA-N 330.453 4.250 0 50 EIAA COc1cc(OC)c(CNc2cccc(F)c2)cc1Br 280477 JFUSQBWCFWEZIT-UHFFFAOYSA-N 340.192 4.218 0 50 EIAA CCOc1cc(C=O)c(Br)cc1OCc1ccccc1 333633 HVGMDKGPKDVBGS-UHFFFAOYSA-N 335.197 4.239 0 50 EIAA Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 455995 VMQGXHCCRYKYTR-UHFFFAOYSA-N 342.464 4.259 0 50 EIAA Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)cc1C 464279 YFWJXEWWJLBUHS-CYBMUJFWSA-N 348.240 4.472 0 50 EIAA CCCC(=O)N[C@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 2054235 LORZAPZAPFWUCO-ZDUSSCGKSA-N 337.678 4.328 0 50 EIAA Cc1cc(C)n(C(=O)CCCOc2ccc(Cl)cc2Cl)n1 2069262 KEUZUSWFDDTHQZ-UHFFFAOYSA-N 327.211 4.306 0 50 EIAA CCCCOc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 2997298 WEQNTIQHOWFFSY-UHFFFAOYSA-N 349.452 4.065 0 50 EIAA COc1ccc(-c2n[nH]c3cccc4c(OC)ccc2c34)cc1OC 4547409 KHVGJDSHXSUFAB-UHFFFAOYSA-N 334.375 4.409 0 50 EIAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 6668227 IAOHTVXMLUTPEE-HUUCEWRRSA-N 341.407 4.141 0 50 EIAA O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 9306353 KQPKMQBCJRRQNU-UHFFFAOYSA-N 332.447 4.192 0 50 EIAA Cc1ccccc1[C@H]1CCCN1c1nccc(-c2c(C)nn(C)c2C)n1 23159329 CIKVDHLYFOGLRA-LJQANCHMSA-N 347.466 4.144 0 50 EIAA CCc1ccc(CN(Cc2cccnc2)Cc2ccccc2OC)nc1 55183297 SDDMEKUEVKMRIV-UHFFFAOYSA-N 347.462 4.250 0 50 EIAA c1cncc(CN(Cc2ccsc2)Cc2nc3ccccc3[nH]2)c1 55414854 NPLNEJMJUBQTFB-UHFFFAOYSA-N 334.448 4.222 0 50 EIAA Clc1cccc(-c2ccc(CNCCOc3ccccn3)o2)c1 57354898 KJSHKHNPNKIJKU-UHFFFAOYSA-N 328.799 4.164 0 50 EIAA COc1ccccc1-c1cccc(C(=O)N[C@@H](C)Cc2ccccn2)c1 65490425 PNSKNBFRXHNVKS-INIZCTEOSA-N 346.430 4.118 0 50 EIAA CC(C)(C)n1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 67726174 CIUMPZJEDQZIFA-KRWDZBQOSA-N 346.858 4.110 0 50 EIAA CCCSc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1 95503176 CZYZWISLWRCRNF-UHFFFAOYSA-N 327.453 4.215 0 50 EIAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-c2cn[nH]c2)c1 96153500 OQHJOQWVEPEWDT-HXUWFJFHSA-N 331.419 4.362 0 50 EIAA Cc1cscc1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 176233902 JWYLBWQIFHMYFB-HNNXBMFYSA-N 327.409 4.037 0 50 EIAA CC(C)(C)C[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(F)(F)F 184661717 MQDNHIOUCWYOGU-OLZOCXBDSA-N 346.397 4.013 0 50 EIAA Cc1nn(C)cc1NC(=O)N1CCC[C@H]1c1cccc2ccccc12 189719066 WUQLZLFRIGIFHL-IBGZPJMESA-N 334.423 4.251 0 50 EIAA O=C(NCc1cccnc1)OCC1c2ccccc2-c2ccccc21 219035735 HIELIWLCJOQJFQ-UHFFFAOYSA-N 330.387 4.120 0 50 EIAA Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1ccc(F)cc1)C(=O)CCC2 221202694 WRVQNUYYDVQQAZ-OAHLLOKOSA-N 341.382 4.223 0 50 EIAA C[C@@H](Cc1nc(-c2cccc(F)c2)no1)C(=O)c1cccc(F)c1 225437547 FABRFJNTAMWMDA-NSHDSACASA-N 328.318 4.076 0 50 EIAA CCN(CC)C1=N[C@@H]2Nc3ccccc3N(CC)[C@H]2[C@H]1c1ccccc1 249684761 FEAZVMDHAGNEQZ-HKBOAZHASA-N 348.494 4.171 0 50 EIAA CC(C)[C@@H]1C[C@H](Nc2cccc(CN3CCC[C@H]3C(=N)O)c2)CS1 331380851 IQQKRJCOWHHCOJ-BZSNNMDCSA-N 347.528 4.128 0 50 EIAA CC[C@H](CC(=O)N1C[C@H](C(=O)O)c2ccccc21)c1ccc(C)cc1 439711579 URKIREIPVSEJFT-QAPCUYQASA-N 337.419 4.094 0 50 EIAA Cc1cnccc1CN(C)C(=O)NCc1ccc(C(C)(C)C)cc1 670450476 ITCXDJOJVPWHPS-UHFFFAOYSA-N 325.456 4.029 0 50 EIAA CCSc1nc(C)c([C@H](CC)C(=O)N(C)Cc2cccnc2)s1 952994482 VVELEZIVCYEBSR-AWEZNQCLSA-N 349.525 4.111 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C)cc1F 1875298386 ZBMCFEPCZFMVJX-BMFZPTHFSA-N 331.431 4.119 0 50 EIAA CCC(C)(C)CCCC(=O)N1CCN[C@H](c2ccc(Cl)cc2)C1 1875329695 DKTIFIRUXGZTBT-KRWDZBQOSA-N 336.907 4.419 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(C)cc2s1 35356 ZGWIFYYJEIUPRL-HNNXBMFYSA-N 326.421 4.401 0 50 EIAA COc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c(OC)c1 480617 LEEKCYRUTITOHF-QGZVFWFLSA-N 333.387 4.331 0 50 EIAA O=C(CSc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 618065 KQOSSLIVNGBZHF-UHFFFAOYSA-N 343.429 4.043 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)NCc3ccncc3)sc2c1 2761258 IQKHHKYMJBQBGE-UHFFFAOYSA-N 330.840 4.442 0 50 EIAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc1C 2879792 DSUIVLHMRSDAQF-HNNXBMFYSA-N 344.414 4.444 0 50 EIAA Cc1ccc(SCCNC(=O)CSc2ccc(C)cc2)cc1 2982807 GXAUUDMNOLPIAJ-UHFFFAOYSA-N 331.506 4.304 0 50 EIAA Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2ccccc2F)nc1 4917040 IOONNOOWDVYRQR-LJQANCHMSA-N 333.366 4.300 0 50 EIAA aggregator CCCCOc1ccccc1C(=O)Nc1cc(OC)ccc1OC 6729474 WGSJSTONHCEKMB-UHFFFAOYSA-N 329.396 4.135 0 50 EIAA Cc1ncsc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 11820763 FFQRYCRKKGDSBA-KRWDZBQOSA-N 343.496 4.292 0 50 EIAA Cc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798839 OYUMHDXXDPXMLY-UHFFFAOYSA-N 338.430 4.389 0 50 EIAA CCN(CC)[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 23374024 CEWHECCTAGHYFT-QGZVFWFLSA-N 347.890 4.220 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCCC[C@@H]3C)cc2)n1 48435644 ZKBSSPPZVQFFPS-INIZCTEOSA-N 339.483 4.154 0 50 EIAA CC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)on1 67805995 GCULYUFBGDPNHL-UHFFFAOYSA-N 347.422 4.175 0 50 EIAA Cc1cc(CNC(=O)c2cccc(F)c2F)c2[nH]c(C)c(C)c2c1 77320608 AHZXHPZJKDBAAN-UHFFFAOYSA-N 328.362 4.301 0 50 EIAA CCOc1ccc(Cl)cc1CN(C)C(=O)c1cc(C(C)C)on1 82156456 ILKYYLWIEFNUEI-UHFFFAOYSA-N 336.819 4.122 0 50 EIAA CC(C)=CCC[C@@]1(C)CCC(=O)N(CCCNc2cccnc2)C1 91434107 RZGKQWDKTLFEBC-FQEVSTJZSA-N 329.488 4.259 0 50 EIAA Cc1c(C(=O)N(C)Cc2csc(C(C)C)n2)[nH]c2c(F)cccc12 91664231 LMWIQLCROKVTJL-UHFFFAOYSA-N 345.443 4.468 0 50 EIAA CC(C)(C)Oc1ccncc1NC(=O)Cc1c(F)cccc1Cl 131992082 BYQSEYIAGKERBO-UHFFFAOYSA-N 336.794 4.233 0 50 EIAA C[S@](=O)Cc1cc(NCc2cc(F)c(F)cc2F)ccc1Cl 170594054 PSQDDELVWWHCAO-QFIPXVFZSA-N 347.789 4.248 0 50 EIAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc2[nH]ccc2c1 253410450 NJCTWJBEBOUAMW-IBGZPJMESA-N 329.403 4.457 0 50 EIAA biogenic Cc1noc(C)c1NC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 287016699 NVSXXJKNOHVBNH-LJQANCHMSA-N 327.428 4.267 0 50 EIAA CCCN(Cc1ccccc1F)C(=O)Cc1ccc(O)c(Cl)c1 1506418124 NXDSKEBHDCSHNQ-UHFFFAOYSA-N 335.806 4.166 0 50 EIAA Cc1ccccc1N1CCCN(Cc2cccc(O)c2Cl)CC1 1506422368 SFCRIPHVKLMCAO-UHFFFAOYSA-N 330.859 4.066 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)Cc1ccc(C(C)C)cc1)C2 1704299319 IWHICRKNZMWCEF-TZIWHRDSSA-N 329.484 4.160 0 50 EIAA CCOc1ccc(C=C(C)c2nc(O)c3ccsc3n2)cc1F 1857533398 MAAYBCBXTDAINI-UHFFFAOYSA-N 330.384 4.495 0 50 EIAA CC[C@@H](C)NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 136856 BKLBVBJIIRVHCU-MRXNPFEDSA-N 325.452 4.306 0 50 EIAA C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Br)cc1 470942 XDXOOKATNDGUSI-FZMZJTMJSA-N 342.302 4.236 0 50 EIAA COc1ccc([C@H](CC(=O)N2CCCCC2)c2ccc(F)cc2)cc1 2453332 LRBAKYKKRLTDMJ-HXUWFJFHSA-N 341.426 4.369 0 50 EIAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(C2CC2)on1 2465704 AWMAAIMLDYHTFT-UHFFFAOYSA-N 330.693 4.477 0 50 EIAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 2852560 DTQVLGFOSYSMOX-UHFFFAOYSA-N 331.803 4.116 0 50 EIAA COc1ccccc1OCCCOc1ccccc1Br 2904321 RAOIILRYYQJGRU-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA Cc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)s1 3389198 WLYLXMCFOFKOEV-ZCFIWIBFSA-N 348.280 4.273 0 50 EIAA Cc1cccc(C)c1Nc1c(-c2ccccc2O)nc2ncccn12 4734102 UHVZCRPMVVRTEY-UHFFFAOYSA-N 330.391 4.462 0 50 EIAA O[C@]12CCCC[C@@H]1[C@H](c1cccc(OCc3ccccc3)c1)NCC2 5683309 NXWLYGWIEVOKFF-FSSWDIPSSA-N 337.463 4.221 0 50 EIAA Cc1ccc2nc(NC(=O)c3ccc(Br)o3)sc2c1 9015898 HGFPAJKGVAMTFY-UHFFFAOYSA-N 337.198 4.213 0 50 EIAA O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCCCC2)cc1 10434077 HGAXETDDODALNM-UHFFFAOYSA-N 330.378 4.203 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2ccccc2SC)c(C)c1 10446412 KZNVRQXHBIBCCA-UHFFFAOYSA-N 329.421 4.146 0 50 EIAA CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(C3CC3)nc21 20603970 SMZKSYCCEFKRMP-SSDOTTSWSA-N 325.384 4.240 0 50 EIAA O=c1[nH]c(=S)n(C2CCCC2)c2nc(C3CC3)cc(C(F)F)c12 20615138 UYADQNUUJMKLBK-UHFFFAOYSA-N 337.395 4.384 0 50 EIAA CC(C)CCC(=O)Nc1ccccc1-c1nc(-c2ccccn2)no1 22463159 ZCHSMIRMYLPPDX-UHFFFAOYSA-N 336.395 4.173 0 50 EIAA Nc1cc(Cl)c(OC(F)(F)[C@H](F)C(F)(F)F)cc1Cl 33997026 PIANCHDAVNRLDV-SSDOTTSWSA-N 328.039 4.448 0 50 EIAA FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ncc[nH]3)C2)c1 71735495 KZNDHRIFEROQJX-HNNXBMFYSA-N 337.389 4.273 0 50 EIAA CSc1ccc(-c2nc(CN(C)Cc3cc(C)no3)c(C)o2)cc1 72474163 JOJPZNDPGPYHMJ-UHFFFAOYSA-N 343.452 4.300 0 50 EIAA CCCCN(Cc1ccccc1C)C(=O)c1ccc2nc(C)cn2c1 82091658 BWFFJLWAHYHDTC-UHFFFAOYSA-N 335.451 4.394 0 50 EIAA O=C(N[C@@H]1CCCOCC1)N(Cc1ccccc1)C1CCCCC1 181813584 IMDKUEUNCILODR-GOSISDBHSA-N 330.472 4.100 0 50 EIAA COc1ccccc1-c1cccc(C(=O)NCc2nccn2C(C)C)c1 223361387 NXXXQUDBZSAPPG-UHFFFAOYSA-N 349.434 4.070 0 50 EIAA O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@H]1CCCC(F)(F)C1 225704585 HFVPZNUFAYODAL-FPMFFAJLSA-N 345.336 4.086 0 50 EIAA Cc1ccc(C2=NN3[C@H](c4ccccn4)Oc4ccccc4[C@H]3C2)o1 239305894 GECVBFAJZDIADU-XLIONFOSSA-N 331.375 4.225 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)no1 241470688 NXALZTGYIYYABN-ZOBUZTSGSA-N 330.815 4.104 0 50 EIAA Cc1nc([C@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 252484031 FMMFXSOZIOFIBL-XPTSAGLGSA-N 325.334 4.199 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253500101 WGYHVQYXJNPQAA-YNGMDASDSA-N 332.484 4.099 0 50 EIAA biogenic O=C(c1cnc2c(F)cccc2c1)N1CC[C@@H](c2ccccc2F)C1 340032517 GGGKJOBYIRIOTA-CQSZACIVSA-N 338.357 4.143 0 50 EIAA Cc1ccc(C2(C(=O)Nc3ccc(N4C(=O)CC[C@@H]4C)cc3)CC2)cc1 952990169 GUZWTCKGQVUPAY-INIZCTEOSA-N 348.446 4.181 0 50 EIAA Cc1sc(C)c(-c2noc([C@H]3CCCO3)n2)c1Br 1776005751 IXANFLNYDAGLMY-MRVPVSSYSA-N 329.219 4.029 0 50 EIAA Cc1cc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)on1 1875329107 DXMGVRKYYDVQTE-RBUKOAKNSA-N 340.467 4.394 0 50 EIAA NC(=O)c1cccc(Nc2cccc(-c3nc4ccccc4o3)c2)c1 2356158157 YMBSITKBYDCWRY-UHFFFAOYSA-N 329.359 4.337 0 50 EIAA Cc1ccc(C)c(OCC(=O)Nc2nc3ccccc3s2)c1C 77079 WNTSDBMLRMSIEU-UHFFFAOYSA-N 326.421 4.239 0 50 EIAA CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(F)cc3)c12 82587 IPLAJSCZLDIWBH-UHFFFAOYSA-N 340.350 4.065 0 50 EIAA Cc1sc2ncnc(SCC(=O)OC3CCCCC3)c2c1C 84900 VDBMJSHOAHDAPD-UHFFFAOYSA-N 336.482 4.276 0 50 EIAA O=C(CSc1nnc2sc3ccccc3n12)c1ccc(F)cc1 89241 SYDXXKGZMNUACT-UHFFFAOYSA-N 343.408 4.058 0 50 EIAA COc1cccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2C)c1 149574 MDKUXJUFGDBRKG-UHFFFAOYSA-N 346.382 4.454 0 50 EIAA COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)C)cc1 303507 VMIMSHNIQDHSAK-UHFFFAOYSA-N 333.815 4.490 0 50 EIAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 427671 XFVXFDRNKKNYAA-GFCCVEGCSA-N 331.799 4.066 0 50 EIAA Clc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1 533525 JIRYKPLMCWVTQX-UHFFFAOYSA-N 342.811 4.085 0 50 EIAA CC(C)C(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 1004232 LIBAFWXHIPSMMP-UHFFFAOYSA-N 330.771 4.448 0 50 EIAA CC1(C)C[C@](CNCc2ccc(O)cc2)(c2ccccc2)CCO1 2109315 VVBVCEGVOQDTJC-OAQYLSRUSA-N 325.452 4.009 0 50 EIAA biogenic COc1cc(C=O)ccc1OCCOc1ccc(Cl)c(C)c1C 4701924 CBVDKHPSHONREH-UHFFFAOYSA-N 334.799 4.236 0 50 EIAA COc1ccc(CCN[C@@H](C)CC(C)(C)c2ccc(C)o2)cc1OC 5020455 IFRIVNSINOMKHH-HNNXBMFYSA-N 345.483 4.494 0 50 EIAA O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccc(Cl)cc1)CCC3 17072480 ATCMLEZLXPDJGU-UHFFFAOYSA-N 348.880 4.311 0 50 EIAA Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1 34997445 WTKBRPXPNAKVEQ-UHFFFAOYSA-N 339.439 4.105 0 50 EIAA in-vitro O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccccc1Cl 35476396 PICLNQMUQNVWNZ-OAHLLOKOSA-N 329.783 4.046 0 50 EIAA CCCn1ncc(CN(Cc2cccnc2)Cc2ccsc2)c1C 55035858 URJRIPLDJIAHKV-UHFFFAOYSA-N 340.496 4.260 0 50 EIAA O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F 62139075 BZSQSUOORMKBNL-UHFFFAOYSA-N 337.297 4.005 0 50 EIAA CCc1ccccc1-c1c(-c2ccccc2)ncn1CCC(=O)OC 65396734 JUZDSVZSMXZVNK-UHFFFAOYSA-N 334.419 4.343 0 50 EIAA CCc1ncc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 71746853 QJCCQCYKZUDUGV-OAHLLOKOSA-N 345.437 4.162 0 50 EIAA c1csc(-c2ncc(-c3nccn3CC[C@H]3CCCCO3)cn2)c1 71771728 FPCWXRLXZDKQAT-OAHLLOKOSA-N 340.452 4.028 0 50 EIAA Cc1cccc(-c2cccc(NC(=O)N3CCC[C@@H](N(C)C)C3)c2)c1 96150210 JTUHTIAYEZFLGM-HXUWFJFHSA-N 337.467 4.220 0 50 EIAA CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](C)Oc1ccccc1)CCC2 119220222 BLFVSOJESGSMGB-CZUORRHYSA-N 344.480 4.009 0 50 EIAA COCCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 189441463 KMQQESMTVPYWGZ-HXUWFJFHSA-N 338.451 4.018 0 50 EIAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)C1(C)C 230153246 VINKXWSOYAMQEJ-VAMGGRTRSA-N 346.559 4.195 0 50 EIAA Cc1cc(-c2ccccc2)nc(CN2CCC[C@@H]2c2nccs2)n1 244605582 FBGDRLPZAOZRRJ-QGZVFWFLSA-N 336.464 4.246 0 50 EIAA Cc1ccc(C(=O)[C@H]2CCC[C@@H](C(=O)c3ccc(C)cc3)C2=O)cc1 252571468 XXWTWUUZRHVHSH-KDURUIRLSA-N 334.415 4.354 0 50 EIAA CC(C)c1ccoc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 287073030 LGENPUJSMOUYRD-CYBMUJFWSA-N 347.484 4.344 0 50 EIAA Cc1csc2ncnc(NCc3ccccc3-c3cnn(C)c3)c12 375632905 VPKRCPAJDNBDBZ-UHFFFAOYSA-N 335.436 4.012 0 50 EIAA CCC(=O)c1ccc(Cl)c(NC(=O)c2cc(C(C)=O)cs2)c1 408515308 XHDQCRWQZWRDMR-UHFFFAOYSA-N 335.812 4.449 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)Cc1coc2cc(C)c(Cl)cc12 952992102 WWFQPEBFRJCJDI-HNNXBMFYSA-N 349.858 4.355 0 50 EIAA Cc1cc(N2CCO[C@H](c3ccc(Cl)s3)C2)nc(C2CCC2)n1 1458209560 ZKRKTKBZZNZHKT-ZDUSSCGKSA-N 349.887 4.345 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)NCCCc2nc(C)c(C)s2)cc1 1506411289 PTAUYQKHLDHYJY-UHFFFAOYSA-N 345.512 4.008 0 50 EIAA CN(C)Cc1ccc([C@H]2CCCN2c2ncc(Cl)cc2F)cc1 1529155347 RFUUYCZBMOLDKG-QGZVFWFLSA-N 333.838 4.277 0 50 EIAA C[C@@](O)(CNCc1ccc2c(c1)CCCC2)C1CCC(F)(F)CC1 2325841989 LNNGARIBOLCJIG-LJQANCHMSA-N 337.454 4.232 0 50 EIAA COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 28125 MVTZKUDPRAMDHZ-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA Cc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1Br 73328 RUQPMRUFNGMYNF-UHFFFAOYSA-N 331.424 4.066 0 50 EIAA CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 466110 WHUSFACGUFWXHB-UHFFFAOYSA-N 334.778 4.326 0 50 EIAA Cc1nc(NC(=O)c2cccc(Cl)c2)ccc1Br 561764 OKOBZSAOYAZCHT-UHFFFAOYSA-N 325.593 4.058 0 50 EIAA COc1ccc2nc(NC(=O)C[C@H](C)c3ccccc3)sc2c1 860492 WVYNMIOBQNQHKR-LBPRGKRZSA-N 326.421 4.437 0 50 EIAA Cc1cccc(OCC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1 1164378 CHIJTYDCSDATTQ-UHFFFAOYSA-N 345.398 4.244 0 50 EIAA Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 2749418 IXLRNWZMUYULBJ-UHFFFAOYSA-N 331.372 4.115 0 50 EIAA CCCCCn1cc(C(=O)C(=O)NCc2ccccc2)c2ccccc21 2875851 XGGRNZWRVJYGJE-UHFFFAOYSA-N 348.446 4.331 0 50 EIAA Cc1ccc(CC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 4851174 CKVAVXPXWSLKCY-UHFFFAOYSA-N 349.434 4.025 0 50 EIAA C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 13745066 HJULTMIQQUKODZ-VIFPVBQESA-N 338.816 4.055 0 50 EIAA Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCOCC2)cc1 14400084 UOHHTYZXBFOKCN-UHFFFAOYSA-N 338.451 4.207 0 50 EIAA CCN(CC)C(=O)NP(=O)(Oc1ccccc1)Oc1ccccc1 15636633 JMBCUOGHDIDVRP-UHFFFAOYSA-N 348.339 4.304 0 50 EIAA CC(=O)c1ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 55292281 IUYYBYRYCHDOLL-UHFFFAOYSA-N 346.833 4.004 0 50 EIAA CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCNC(C)C 68202907 JKCSODVERGVDLT-UHFFFAOYSA-N 336.435 4.198 0 50 EIAA in-vitro CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cc(Cl)ccc1F 82161619 RLGKKANKVIHRKZ-CQSZACIVSA-N 346.833 4.078 0 50 EIAA CN(Cc1ccc2ccccc2n1)C(=O)C[C@H]1CCc2ccccc21 91460558 HWNONUUXVXNCRE-GOSISDBHSA-N 330.431 4.313 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)CCC[C@H]3CCCO3)c(C)c2c1 91997425 QVXUOTXHCIESMH-INIZCTEOSA-N 328.456 4.124 0 50 EIAA O=C(C[C@@H](c1cccs1)n1cccc1)NCCc1ccc(F)cc1 170607837 AOUAXHFDKFBTOZ-KRWDZBQOSA-N 342.439 4.027 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)Cc1sc(C)nc1C 215279163 OZUZQWMGFWKFAE-INIZCTEOSA-N 331.485 4.087 0 50 EIAA Cc1cc(O)ccc1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F 225429584 FCSJRQJDNDBFCU-UHFFFAOYSA-N 344.386 4.077 0 50 EIAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(OC[C@H]2CCCO2)c1 247878995 UZPJQMKWIOVIIQ-YIOZNXECSA-N 329.440 4.009 0 50 EIAA CC(=O)N[C@@H](CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cccs1 252680166 WUHGQARSDWIAGE-QHHYFVSCSA-N 349.496 4.073 0 50 EIAA CCn1c(SCc2sccc2Cl)nnc1-c1cccnc1 253417753 HGSGLWUWAMMTKQ-UHFFFAOYSA-N 336.873 4.367 0 50 EIAA O=C(NC1(c2ccc(F)cc2F)CCCC1)c1ocnc1C1CC1 288881808 ZOWXYVINTAZTQC-UHFFFAOYSA-N 332.350 4.030 0 50 EIAA O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2cccnc2)nc2ccccc12 737580704 BPDFFMWAYPAAIN-AVYPCKFXSA-N 343.430 4.215 0 50 EIAA O=C(c1ccc2c(c1)CCO2)N1CCCC[C@@H]1CCc1cccs1 952985158 DASFACHYOCOICG-QGZVFWFLSA-N 341.476 4.311 0 50 EIAA Clc1cccc(C2(NC3CCN(Cc4ccco4)CC3)CC2)c1 1506397627 FMRCRHRLKVZAEJ-UHFFFAOYSA-N 330.859 4.176 0 50 EIAA CCn1nc(C)c([C@@H](C)NCC2=Cc3cc(Cl)ccc3OC2)c1C 1506418515 QJHLYONORHZQML-GFCCVEGCSA-N 345.874 4.300 0 50 EIAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@@]2(CCC[C@H]2O)C1 1704297256 XEZLTDDLNOTODU-GGAORHGYSA-N 349.474 4.050 0 50 EIAA O=C(Nc1ccc2ccnc(O)c2c1)c1cccc(-c2cscn2)c1 1875361784 BKSIBZZFBSCKGZ-UHFFFAOYSA-N 347.399 4.316 0 50 EIAA Cc1cc(-c2ccccc2)nc(SCc2cc(Cl)n(C)n2)n1 2325819336 AZKSCXZDYGLREU-UHFFFAOYSA-N 330.844 4.131 0 50 EIAA Cc1nc(-n2cccc2)sc1C(=O)Nc1cncc(C(C)(C)C)c1 2325854604 MHGMXMIXTQCYJM-UHFFFAOYSA-N 340.452 4.187 0 50 EIAA O=C1C[C@@H](Sc2ccc3ccccc3c2)C(=O)N1c1ccccc1 101220 LFKHHRYKUTZWBT-GOSISDBHSA-N 333.412 4.264 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 126100 PNQOWLBQRDWOCA-UHFFFAOYSA-N 347.411 4.195 0 50 EIAA O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1cccs1 273091 RAAXADPLMZBAEC-GFCCVEGCSA-N 349.670 4.286 0 50 EIAA COc1ccccc1COc1ccc2c3c(c(=O)oc2c1C)CCC3 307902 AWJGDZWHOLOYIO-UHFFFAOYSA-N 336.387 4.178 0 50 EIAA biogenic COc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 444311 KPKKRFCIGAEYIY-JXMROGBWSA-N 332.197 4.110 0 50 EIAA Clc1cccc(-c2nnc3sc(COc4ccccc4)nn23)c1 532820 NOUMUPOFNHOMPA-UHFFFAOYSA-N 342.811 4.085 0 50 EIAA COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1 1773589 CTQLLEWZIZLORX-UHFFFAOYSA-N 349.814 4.155 0 50 EIAA CCn1cc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c(C)n1 2763723 LQOYPBZLMIRUFW-UHFFFAOYSA-N 349.390 4.372 0 50 EIAA CC(C)N(C(=O)c1ccccc1C(=O)N(C(C)C)C(C)C)C(C)C 3145551 BTZKEKFIYZQZKV-UHFFFAOYSA-N 332.488 4.205 0 50 EIAA CCOc1ccc(-c2nc(NC(=O)c3ccco3)sc2C)cc1 3554335 ZAGLMUAWQIDGBE-UHFFFAOYSA-N 328.393 4.363 0 50 EIAA O=C(Nc1cccc(Cl)c1OC[C@@H]1CCCO1)c1cccs1 4809818 DUYMUKVSJVRYJK-NSHDSACASA-N 337.828 4.212 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 12138839 WSJIMPVIWVXJHO-AWEZNQCLSA-N 340.423 4.465 0 50 EIAA Cc1c([C@@H](C)NCc2ccccc2)cnn1-c1ccc(F)cc1F 12703818 GYDKQJNBZQMVSF-CYBMUJFWSA-N 327.378 4.310 0 50 EIAA CCCOc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 13858137 CWESBHZCSBYKQS-UHFFFAOYSA-N 336.391 4.087 0 50 EIAA COc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O 15052537 ADFOLUXMYYCTRR-OKILXGFUSA-N 330.424 4.172 0 50 EIAA biogenic,in-vitro Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)c1 44905897 ANCFDGNRCWBZBB-SFHVURJKSA-N 336.479 4.390 0 50 EIAA Cc1nc[nH]c1CSCCn1ccnc1-c1ccnc2ccccc12 72430543 FTNBFIOWMVQHAH-UHFFFAOYSA-N 349.463 4.063 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)c2ccc(C)c(C)c2n1 77287604 KXTYXUAVFSQSKG-OAHLLOKOSA-N 336.357 4.327 0 50 EIAA CCCc1nc(C(=O)N2CCCC[C@@H]2c2cccc(OC)c2)cs1 77469876 QDDCSNZGMBQZEW-QGZVFWFLSA-N 344.480 4.472 0 50 EIAA Cc1oc(-c2ccc(F)cc2)nc1Cc1ccccc1C(=O)N(C)C 82086981 CTYMKRALKJWYQY-UHFFFAOYSA-N 338.382 4.082 0 50 EIAA C[C@H]1Cc2cc(NC(=O)NCCCSCc3ccco3)ccc2O1 95519433 XOOZNYIIUPQFHG-ZDUSSCGKSA-N 346.452 4.048 0 50 EIAA C[C@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)C1CC1 279244394 UIJBSJNYYUFGRS-KRWDZBQOSA-N 349.474 4.210 0 50 EIAA C[C@@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)C1CC1 279244395 UIJBSJNYYUFGRS-QGZVFWFLSA-N 349.474 4.210 0 50 EIAA Cc1ccccc1-c1ccc(NC(=O)N2CCC[C@@]3(CCNC3)C2)cc1 299789001 UZAOJAUOFRGBHE-QFIPXVFZSA-N 349.478 4.269 0 50 EIAA Cc1cc(N[C@H](C)c2ccc(C(F)F)nc2)ccc1N1CCOCC1 850460058 OBCUAKFPLPDHSD-CQSZACIVSA-N 347.409 4.337 0 50 EIAA C[C@H](NC[C@H](CCO)c1ccccc1)c1cc(-c2ccccc2)no1 863982492 PDQUMURNBHKMTF-LPHOPBHVSA-N 336.435 4.158 0 50 EIAA CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1cc(O)cc(F)c1)CCO2 926208850 BEBIRDNZPXJOTO-XIKOKIGWSA-N 331.387 4.104 0 50 EIAA O=S(=O)(Nc1cccc(SC(F)(F)F)c1)c1cccs1 1250916271 OREVSVNWFPETJE-UHFFFAOYSA-N 339.385 4.161 0 50 EIAA Cc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1cccc3cc[nH]c13)CCO2 1875348782 CIGCRMQJXCLPOO-HNNXBMFYSA-N 349.434 4.142 0 50 EIAA Cn1nc(C(F)(F)F)c(C=O)c1SCc1ccccc1Cl 168244 ZBYWFEYHWDELQE-UHFFFAOYSA-N 334.750 4.197 0 50 EIAA biogenic Cc1nc2ccccc2n1C[C@H](O)COc1ccc([C@@H]2C=CCC2)cc1 253528 PHVULJJAKOZNEN-MJGOQNOKSA-N 348.446 4.218 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1 617062 LTWKYQOKFBYEAD-HNNXBMFYSA-N 345.468 4.382 0 50 EIAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc(F)c1 1152866 SPZSTYUKMXWVJO-UHFFFAOYSA-N 347.802 4.174 0 50 EIAA Cc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1Cl 1187378 HFXJUIQCMSJOOL-AWEZNQCLSA-N 332.812 4.286 0 50 EIAA C[C@H]1CCCCN1CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 2164618 QQWVYTCJSIMTRC-LBPRGKRZSA-N 344.286 4.379 0 50 EIAA Cc1cccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)c1 2532576 DHPWHKVMKVCEIB-UHFFFAOYSA-N 328.213 4.192 0 50 EIAA COC(=O)c1c(NC(=S)Nc2ccccc2C)sc(C)c1C 5941988 FGXNRTQIYROQTQ-UHFFFAOYSA-N 334.466 4.269 0 50 EIAA CCc1ccc(CNCc2cccnc2N(C)C2CCCCC2)o1 12193127 MCCOWTKOAJMRLY-UHFFFAOYSA-N 327.472 4.296 0 50 EIAA CCn1c(CN2CCCCC2)nc2cc(NC(=O)CC(C)C)ccc21 16648210 OHIQESGUBGGREE-UHFFFAOYSA-N 342.487 4.027 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 35597941 GCXMWRBXGQNUNI-UHFFFAOYSA-N 348.406 4.180 0 50 EIAA COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 36620640 DVKDINLVDPTAOK-SFHVURJKSA-N 338.407 4.151 0 50 EIAA Fc1cccc(Cl)c1-c1nc2c(cnn2Cc2cccs2)[nH]1 48101453 MRNSDMPGXZZWHC-UHFFFAOYSA-N 332.791 4.329 0 50 EIAA Cc1ccccc1N1CCN(Cc2ccccc2C(F)(F)F)CC1 55543220 AMKWZHHRNBGWPM-UHFFFAOYSA-N 334.385 4.336 0 50 EIAA O=C(c1cccc2cnccc12)N1CCC(Cc2ccc(F)cc2)CC1 73062442 YZEOVNWPFMIUAB-UHFFFAOYSA-N 348.421 4.469 0 50 EIAA CCNCCO[C@H](c1ccccc1)c1ccc(Br)cc1 96027133 RRGIMYFMDSQBKH-QGZVFWFLSA-N 334.257 4.165 0 50 EIAA CC(C)Cn1ncc(C(=O)Nc2cnc3ccccc3c2)c1C1CC1 133182502 HUTAQPZQGNWZDD-UHFFFAOYSA-N 334.423 4.217 0 50 EIAA COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O 146883754 YPPFWRWCZNXINO-UHFFFAOYSA-N 335.281 4.351 0 50 EIAA in-vitro O=C(Nc1cc(Br)cc(F)c1F)OCc1ccccc1 216708248 CWZFFXRPVFUSPM-UHFFFAOYSA-N 342.139 4.476 0 50 EIAA C[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 245965995 YQXGPJZCNVPVFB-NDHIBRFCSA-N 333.497 4.110 0 50 EIAA CC(C)c1nnc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)s1 263587750 KURGISGDMNUANV-ZDUSSCGKSA-N 346.481 4.143 0 50 EIAA O=C(c1ccc2c(c1)N=C(O)C2)N1CCC[C@@H]1/C=C/c1cccs1 328587927 KCEYETHBRHSHPF-MVGZEHJDSA-N 338.432 4.210 0 50 EIAA O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc2cccnn12 774359443 CCELAALXPCBYFO-UHFFFAOYSA-N 339.704 4.259 0 50 EIAA CCN(Cc1ccc(OCc2ccccn2)cc1)C[C@H]1CCCCO1 1506419854 KUGXXNMIVMNNQA-OAQYLSRUSA-N 340.467 4.052 0 50 EIAA CCN1CC[C@H](Cn2ccnc2-c2ccc3cccc(Cl)c3n2)C1 1857688629 UEOIQWNYZILUNJ-AWEZNQCLSA-N 340.858 4.094 0 50 EIAA COc1ccc(C2CC2)c(CNC[C@@]2(C)CCOC3(CCC3)C2)c1 1875344657 OIPHGKXMGQHDMT-FQEVSTJZSA-N 329.484 4.402 0 50 EIAA Cc1cc2oc(=O)cc(CSCCCn3ccnc3)c2cc1Cl 2325760020 JLUYDLMLWUVWHO-UHFFFAOYSA-N 348.855 4.275 0 50 EIAA COc1ccc(-c2ccccc2-c2nccn2C[C@H](C)OC)cc1F 2356137118 GCMULCKANBLEBT-AWEZNQCLSA-N 340.398 4.400 0 50 EIAA O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cccc(Cl)c1 137651 FUHDAQUBYJKQNH-UHFFFAOYSA-N 340.762 4.154 0 50 EIAA CC(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 450808 WZENCNNNIVJLDL-UHFFFAOYSA-N 342.445 4.230 0 50 EIAA Cc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3O)cn2)cc1 1395040 VOUFSVWPQYVGIH-UHFFFAOYSA-N 328.371 4.271 0 50 EIAA aggregator CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1OC 2820355 UWCBMFDHVJIADB-UHFFFAOYSA-N 344.386 4.215 0 50 EIAA Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccs2)S3)c1 4268653 AAWCONOXRYSKCP-ZDUSSCGKSA-N 327.434 4.192 0 50 EIAA CCOC(=O)c1cn(-c2ccccc2C(C)C)c(C)c1C(=O)OCC 4542466 AOIZVPNOPKBKCH-UHFFFAOYSA-N 343.423 4.263 0 50 EIAA C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12 4763533 AQZMEAUHWOEKTM-OAHLLOKOSA-N 348.402 4.093 0 50 EIAA COc1ccccc1CN1CCC(Nc2ccccc2Cl)CC1 4810622 LNQQZWAZHLMTPC-UHFFFAOYSA-N 330.859 4.425 0 50 EIAA COc1ccc(CN2CCc3c([nH]c4ccccc34)C2)c(OC)c1C 4990326 WNPVLKRCYNABSL-UHFFFAOYSA-N 336.435 4.052 0 50 EIAA O=C(N/C(=C/c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 5042102 JTRYWBLMSLZKNJ-HMMYKYKNSA-N 339.398 4.491 0 50 EIAA CC[C@H](Nc1nncc(-c2ccc(OC)cc2)n1)c1ccc(C)cc1 14960701 UTDYIIFYYVMBEH-SFHVURJKSA-N 334.423 4.419 0 50 EIAA Cc1csc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1 20539269 QSPKKZSHXKOCBL-UHFFFAOYSA-N 332.432 4.425 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(Cl)c1 71384976 FXZUBRKXBVKMLY-UHFFFAOYSA-N 342.826 4.137 0 50 EIAA Cc1n[nH]c(-c2ccc(-n3ccnc3[C@@H](C)c3ccccc3)cc2)n1 71753997 OQDQQQCKXXGDCS-AWEZNQCLSA-N 329.407 4.118 0 50 EIAA CCCN(Cc1nccn1C)C(=O)Nc1ccccc1SC(C)C 96165809 QNUVDNUJJMEEEE-UHFFFAOYSA-N 346.500 4.365 0 50 EIAA O=C(CSCc1c(F)cccc1Cl)N[C@@H]1C[C@H]2CC[C@H]1C2 101352388 SBAGARNROXJDSI-ZIBATOQPSA-N 327.852 4.017 0 50 EIAA Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@H]2c2ccncc2)s1 135478332 ZNZRUDKVXVMCHQ-INIZCTEOSA-N 344.484 4.414 0 50 EIAA Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCCCC[C@@H]1c1ccco1 151562810 FFJZKSJDKHHJML-XJKSGUPXSA-N 345.443 4.315 0 50 EIAA COC(=O)CCCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 170617928 XEVXOYVOYQYFOT-UHFFFAOYSA-N 345.370 4.290 0 50 EIAA Oc1ccc(Nc2nc(Nc3ccc(Cl)cc3)ncc2F)cc1 170621802 HMAFJPBVEXXFCW-UHFFFAOYSA-N 330.750 4.462 0 50 EIAA CCn1ccc2ccc(CN3CCN(Cc4cccs4)CC3)cc21 216550432 OWADSXGFRPQZNN-UHFFFAOYSA-N 339.508 4.041 0 50 EIAA COCC1(Cc2noc([C@H]3C[C@H]3c3c(F)cccc3Cl)n2)CC1 225600266 TUEQFEQSUDWWDQ-MNOVXSKESA-N 336.794 4.102 0 50 EIAA CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)c2ccccc12 261490656 TXQWVSIUAFLZKX-UHFFFAOYSA-N 341.432 4.348 0 50 EIAA CSc1ccc(CN(C(=O)Nc2cccc(CN)c2)C2CC2)cc1 299799310 REEZDDGJNYVTBB-UHFFFAOYSA-N 341.480 4.064 0 50 EIAA Cc1ccc(-c2ccc(C)c(NC(=O)N3CCOC(C)(C)C3)c2)o1 408395188 PTHSXKZYGRFPNY-UHFFFAOYSA-N 328.412 4.206 0 50 EIAA CCN(CCCc1ccccc1)C(=O)c1ccc(-c2nccn2C)cc1 426667377 LBYSXEYLSROAPM-UHFFFAOYSA-N 347.462 4.182 0 50 EIAA O=C(Nc1ccc(N2CCCC2)cc1)Nc1nc2c(s1)CCCC2 920928679 BVWNXVDCNUVGQC-UHFFFAOYSA-N 342.468 4.266 0 50 EIAA O=C(c1sccc1Cl)N1CCC([C@H](O)c2cccs2)CC1 1506431712 WIMIDTKPYICUMA-ZDUSSCGKSA-N 341.885 4.049 0 50 EIAA CC(=O)N1CCCc2ccc(NCc3cccc4cccnc34)cc21 2325854253 VFBSWZKBTCLPHU-UHFFFAOYSA-N 331.419 4.146 0 50 EIAA O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cccc(F)c1 176354 FJVCLMSUOJKATD-AUWJEWJLSA-N 336.149 4.477 0 50 EIAA Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 407844 IXNPJPYVTDJMHQ-HOTGVXAUSA-N 328.778 4.217 0 50 EIAA CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cccnc1 523933 SUNUBAQSFIJCAE-UHFFFAOYSA-N 348.834 4.445 0 50 EIAA COc1ccc(-c2csc(N(C)c3ccc(O)cc3)n2)cc1OC 613509 DTWWQBHMIUQWJM-UHFFFAOYSA-N 342.420 4.301 0 50 EIAA COc1ccc(NC(=S)Nc2ccccc2SC)c(OC)c1 13519178 WBIJZIRNVLZQHN-UHFFFAOYSA-N 334.466 4.235 0 50 EIAA COc1ccc([C@H](O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 16675875 CHSNMVQHOCHPDK-OAHLLOKOSA-N 334.828 4.051 0 50 EIAA O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccccc2)CC1 44932983 UNKWLUYKBRHNMK-JOCHJYFZSA-N 348.490 4.092 0 50 EIAA Cc1ccccc1Cc1nnc(NC(=O)C/C=C/c2ccccc2)s1 55393660 JDTCJIBBQAHINK-YRNVUSSQSA-N 349.459 4.479 0 50 EIAA CCOc1ccccc1N1CCN(Cc2ccccc2Cl)CC1 55542892 YBRSKUJQOBWWSL-UHFFFAOYSA-N 330.859 4.061 0 50 EIAA COc1cc2c(cc1-c1nccn1[C@@H](C)c1nc(C)cs1)CCC2 71763402 FQSQTHGJFKKOJM-ZDUSSCGKSA-N 339.464 4.422 0 50 EIAA c1ccc(CNc2cc(-c3nc4ccccc4[nH]3)c3cc[nH]c3n2)nc1 72429160 KCTWMECIQWRCLB-UHFFFAOYSA-N 340.390 4.113 0 50 EIAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)[C@@H](C)c1cncs1 91486803 ZXOOSWAYWBUYED-AWEZNQCLSA-N 341.480 4.312 0 50 EIAA COc1cccc(-c2ccc(NC(=O)N3CCC[C@H](OC)C3)cc2)c1 95500106 LETDJBXBTPIVNS-IBGZPJMESA-N 340.423 4.005 0 50 EIAA Cc1ccc(NC(=O)c2cc(C)n(-c3nccs3)c2C)c(C)c1 119776187 MXLSLHVXOCTWGR-UHFFFAOYSA-N 325.437 4.420 0 50 EIAA CC[C@@H](NC(=O)N[C@@H]1CCCc2sccc21)c1c(C)noc1C 130547685 GVBCDQXCOQOVTI-ZIAGYGMSSA-N 333.457 4.181 0 50 EIAA CC(C)(C)c1cnc(CNC(=O)N[C@H]2CC(C)(C)c3ccccc32)o1 151328454 BEWPXLODUAUTLE-HNNXBMFYSA-N 341.455 4.194 0 50 EIAA C[C@H]1C[C@@H](Nc2cccc(C[S@@](=O)C3CCOCC3)c2)CC[C@H]1C 170597129 CUIDCZRJSDFRHC-NLITVAFESA-N 349.540 4.351 0 50 EIAA CC(=O)c1sccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1 170598299 YNRJUKWRRFTAKD-UHFFFAOYSA-N 331.437 4.266 0 50 EIAA CC[C@@H](NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1)c1cccs1 177435147 JHFQKAQWDOPFOT-OLZOCXBDSA-N 348.472 4.252 0 50 EIAA O=C(c1ccc(-c2ccco2)cc1)N1CCO[C@H](c2ccccc2)C1 219330692 NHDNJRSYLYPSCL-FQEVSTJZSA-N 333.387 4.160 0 50 EIAA CCC[C@@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 252463370 DSDSXWCTEZRXQP-CRAIPNDOSA-N 342.508 4.325 0 50 EIAA CC(C)(C)OCc1nc(Cc2csc(-c3ccccc3)n2)no1 273840951 ZUWUZDORGLWPKS-UHFFFAOYSA-N 329.425 4.099 0 50 EIAA O=C(CSc1ccncc1)N1CCC[C@@H]1c1ccc(Cl)cc1 298284851 KEKPSGFGTCTREN-MRXNPFEDSA-N 332.856 4.191 0 50 EIAA CCc1cc(CC)c(NC(=O)N2CC(c3ccccn3)C2)c(CC)c1 299764460 GTURGSRTWQLKRA-UHFFFAOYSA-N 337.467 4.400 0 50 EIAA Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2snc(O)c2Cl)o1 407995602 IPDVHTHRHXIMRN-WCBMZHEXSA-N 340.832 4.017 0 50 EIAA C[C@@H](NCc1noc(-c2ccoc2)n1)c1cccc(Cl)c1Cl 408513800 INXIPJMXDVXKFW-SECBINFHSA-N 338.194 4.487 0 50 EIAA CCN(C)C(=O)c1cccc(N[C@H](C)c2ccc(C(F)F)nc2)c1 658014086 KGQXQOUEUVDQCK-GFCCVEGCSA-N 333.382 4.284 0 50 EIAA CCCC[C@H](NC(=O)CCN1CCCCCCC1)c1cccnc1 822830886 BODHKAXVCWSDEV-IBGZPJMESA-N 331.504 4.085 0 50 EIAA CC(C)n1cc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)nn1 925729681 KVBBXGCWIDHFJR-HNNXBMFYSA-N 346.438 4.347 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2ccccc2OC(F)F)c(C)c1 952989107 HHPYSNCOYSLBSH-UHFFFAOYSA-N 348.349 4.197 0 50 EIAA CCCCOc1ccc([C@H](C)NC(=O)[C@H]2CCC3(C2)N=N3)cc1OC 1776006481 QISHTOZWFWBRFE-ZFWWWQNUSA-N 345.443 4.014 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)c1nccc2ccccc12 2325735404 KQJPTRBFHDLSRZ-QZTJIDSGSA-N 334.463 4.045 0 50 EIAA CC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1 123013 YNCSWZUYXNYUGA-UHFFFAOYSA-N 333.391 4.392 0 50 EIAA CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)Cc1ccccc1 350035 OVZAYBRHDMUPIT-UHFFFAOYSA-N 343.839 4.203 0 50 EIAA COc1cc(OC)c(NC(=O)N(C)Cc2ccccc2)cc1Cl 400418 GNYYIPMKVVVTBU-UHFFFAOYSA-N 334.803 4.021 0 50 EIAA Cc1c(Br)cccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 409460 RNOVAHXPFCDWLS-KGLIPLIRSA-N 330.225 4.500 0 50 EIAA CC(C)NC(=O)c1cccc(COc2ccccc2Br)c1 468171 YIJXTYUOWAWETF-UHFFFAOYSA-N 348.240 4.166 0 50 EIAA CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 471034 CYBWQZLBDLDTMO-NSHDSACASA-N 348.855 4.418 0 50 EIAA CC1(C)C[C@@](CC(=O)N2CCCC2)(c2ccc(Cl)cc2)CCO1 532569 BZLAFTCERFGMIZ-LJQANCHMSA-N 335.875 4.179 0 50 EIAA COc1ccc(CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 1055841 TZHIGIYKTSZVPY-UHFFFAOYSA-N 345.468 4.166 0 50 EIAA Cc1cc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1Cl 2764732 JSGSLXHBQPXTQO-KGLIPLIRSA-N 329.827 4.394 0 50 EIAA CCCCOc1ccc(S(=O)(=O)N(CC)C2CCCCC2)cc1 2821418 WIUGADKHDURATA-UHFFFAOYSA-N 339.501 4.209 0 50 EIAA Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)cc1C 2879791 DSUIVLHMRSDAQF-OAHLLOKOSA-N 344.414 4.444 0 50 EIAA O=C1CS[C@H](c2ccccc2)N1CC12CC3CC(CC(C3)C1)C2 4015952 YSCLQAMGKQCFAQ-JCFBCRGFSA-N 327.493 4.477 0 50 EIAA CCC(=O)Oc1ccc(C(=O)Nc2cccc(Br)c2)cc1 4842435 XKWDFPKEAUAACY-UHFFFAOYSA-N 348.196 4.017 0 50 EIAA COCC[C@@H]1CCCCN1Cc1c[nH]nc1-c1ccc(C)c(C)c1 11936478 VLOKMWRWODVLAF-IBGZPJMESA-N 327.472 4.085 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 12380851 OKABUNOCPYSJOG-OAHLLOKOSA-N 333.387 4.448 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 14566714 WQPWYZVROLKMCV-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA CCc1ccc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)o1 14953914 KLEVJYPJAAFBPZ-HXUWFJFHSA-N 347.886 4.313 0 50 EIAA Cc1cc(F)ccc1NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 17071513 GRCZRSVMIAJRJW-UHFFFAOYSA-N 342.395 4.358 0 50 EIAA Cc1nnc(CN(C)Cc2nc(-c3cccc4ccccc34)oc2C)o1 20210379 KVPHXPXXTBXBMZ-UHFFFAOYSA-N 348.406 4.127 0 50 EIAA FC(F)(F)c1cnc(C[C@@H]2NCCc3ccccc32)c(Cl)c1 20389248 WOCFRHHBLPZBOD-AWEZNQCLSA-N 326.749 4.183 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)[C@@H](CC)n2cccc2)cc1Cl 55269586 JJRQKIIFSXDFAV-OAHLLOKOSA-N 333.819 4.080 0 50 EIAA CSc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1 55543719 LHQUBNUVCPNSBA-UHFFFAOYSA-N 326.509 4.348 0 50 EIAA C[C@H]1CN(Cc2nc3ccccc3n2C)Cc2cc(Cl)ccc2O1 67842460 REFYOOHJMHKOBL-ZDUSSCGKSA-N 341.842 4.010 0 50 EIAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 77298217 ZYRHLJIJHJDXBA-QGZVFWFLSA-N 348.446 4.408 0 50 EIAA CC(C)n1ccnc1[C@H]1CCCN(Cc2ccccc2OC(F)F)C1 95358403 XMWWZUTZKILZME-INIZCTEOSA-N 349.425 4.445 0 50 EIAA Clc1ccccc1-c1cc(CNc2nnc(C3CCC3)o2)no1 95386522 CQOGRJKLZBHQTM-UHFFFAOYSA-N 330.775 4.258 0 50 EIAA OCCc1ccccc1OCc1nc(-c2c(F)cccc2F)cs1 170616282 RYLNKBTVVVPTRJ-UHFFFAOYSA-N 347.386 4.202 0 50 EIAA COc1ccc(C)nc1NC(=O)c1cccc(-c2csc(C)n2)c1 174797623 ODHHZYCVNKPCTH-UHFFFAOYSA-N 339.420 4.083 0 50 EIAA CC(=O)c1ccc(C(=O)N(Cc2ccsc2)c2cccnc2)cc1 193513722 UGVOACDOXLFBHH-UHFFFAOYSA-N 336.416 4.193 0 50 EIAA CCC[C@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1N(C)C 212893740 BKOTUAKAVRJRFH-FZMZJTMJSA-N 344.286 4.187 0 50 EIAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1nc2ccccc2s1 241277692 LIJLJZKPKBZBHI-LLVKDONJSA-N 343.374 4.491 0 50 EIAA Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2cn(C(C)C)nc2c1 338965099 GSPSKYRHGKCBBK-LBPRGKRZSA-N 340.427 4.354 0 50 EIAA CO[C@H](C)c1nsc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 369334538 LHNKNQZCOMXVKK-ZYHUDNBSSA-N 346.481 4.197 0 50 EIAA C[C@H]1C[C@H](c2ccccc2)C[C@H](NCC(C)(C)C2(O)CCOCC2)C1 417381915 NCYSIYOSSVQXAC-YSIASYRMSA-N 345.527 4.116 0 50 EIAA CCCn1c(C)cc(-c2csc(NC(=O)[C@@H]3CCCCO3)n2)c1C 435066907 XAKBCXJNPWDTOK-INIZCTEOSA-N 347.484 4.146 0 50 EIAA COc1cc(OC)c2nc(N3CCc4sccc4C3)cc(C)c2c1 1529198885 OCKQHBRROVWRON-UHFFFAOYSA-N 340.448 4.185 0 50 EIAA O=C(Nc1cccc(CN2CCCCC2)c1)N[C@H]1C[C@@H]1c1ccccc1 1565530953 CWEIKODHBCQVLF-RTWAWAEBSA-N 349.478 4.350 0 50 EIAA CC(C)[C@H](NC(=O)C1CC2(CC(C(=O)O)C2)C1)c1ccc(Cl)cc1 1875277716 AENWKYSVUBMQMU-BCMXSRJDSA-N 349.858 4.044 0 50 EIAA Cc1nc(NC(=O)C[C@H](Cc2ccccc2)c2ccco2)nc(C)c1C 2100483755 MGNDSWYBOKNOEA-SFHVURJKSA-N 349.434 4.350 0 50 EIAA CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 110822 UVRJQTZXCTVUQI-BXUZGUMPSA-N 343.398 4.330 0 50 EIAA Cc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12 305972 FAZRYKLZTULDHS-UHFFFAOYSA-N 345.192 4.443 0 50 EIAA COc1cccc(CN(CC(C)C)C(=O)NC2CCCCC2)c1OC 528442 ZSFHZVXSSKULFZ-UHFFFAOYSA-N 348.487 4.204 0 50 EIAA O=C(NCCCCc1ccccc1)c1cccc(Br)c1 2493709 CMRFUBZKCBYNRV-UHFFFAOYSA-N 332.241 4.202 0 50 EIAA Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)cc1C 2969265 AWPHKCKJSLGFKN-HNNXBMFYSA-N 327.811 4.079 0 50 EIAA Cc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)nc1 6699924 WDRKSZIODIPMEU-UHFFFAOYSA-N 340.608 4.450 0 50 EIAA CCN(CC=C(C)C)C[C@H]1CCCN(CCc2cccc(F)c2)C1 12442650 JHTMWRWEWLSFKH-HXUWFJFHSA-N 332.507 4.368 0 50 EIAA COc1cccc(CN2Cc3cc(Cl)ccc3O[C@H](C)C2)c1OC 12512606 CBROCQDWLBLKJL-CYBMUJFWSA-N 347.842 4.140 0 50 EIAA Cc1ccc(CN2C[C@@H](c3nc(-c4ccccc4F)c[nH]3)CC2=O)cc1 23478577 UHAHLJLSNGSNBQ-INIZCTEOSA-N 349.409 4.040 0 50 EIAA OCc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 39177476 ALKSWZHEZLKIDO-UHFFFAOYSA-N 340.426 4.216 0 50 EIAA Cc1cc(N2CCCC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40217010 KTUVPCSRCBUSOU-UHFFFAOYSA-N 326.831 4.267 0 50 EIAA COC[C@@H](C)C1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 55253160 JKKMFFOFMQGERC-NEFAXPCMSA-N 333.516 4.114 0 50 EIAA Fc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 55543993 YDTDJVLCFAPVPV-UHFFFAOYSA-N 338.348 4.167 0 50 EIAA C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1[C@@H]1CCN(C)C1=O 65409407 KQAXZPSHKNITIY-FDPSAONLSA-N 347.418 4.107 0 50 EIAA COc1ccc(CN2CCCC2)cc1Oc1ccc(NC(C)=O)cc1 67883540 FBWCAECDIGJRSE-UHFFFAOYSA-N 340.423 4.042 0 50 EIAA COc1ccccc1-c1nccn1[C@H](Cn1ccnc1)c1ccccc1 71479695 BOVDETTWMULPNB-LJQANCHMSA-N 344.418 4.045 0 50 EIAA CC(=O)Nc1cccc(-n2ccnc2-c2cccc3cnccc23)c1 72122308 TXFISFDOPCKCQL-UHFFFAOYSA-N 328.375 4.046 0 50 EIAA Cc1ccc2c(C)c(C(=O)N(C)Cc3noc4c3CCCC4)oc2c1 91678981 QMRXSSWBZCYUDP-UHFFFAOYSA-N 338.407 4.189 0 50 EIAA c1ccc(COc2ccccc2-c2noc([C@H]3CCCOC3)n2)cc1 113720849 LNRGKUYTPFSEOI-INIZCTEOSA-N 336.391 4.210 0 50 EIAA CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(C)C 116995885 RQPOPPFIUCDWTE-UHFFFAOYSA-N 339.439 4.396 0 50 EIAA CC(C)c1cccc(CN2CCO[C@H](c3ccc(F)cc3F)C2)n1 187315181 MXRJKAQBSVFVMO-IBGZPJMESA-N 332.394 4.057 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1csc(C(C)=O)c1 215034008 LAGWWIVNHOJNGS-MRXNPFEDSA-N 330.453 4.349 0 50 EIAA Oc1ccc(Cl)c(CN2CCC3(CCOCC3)CC2)c1Cl 215739233 SJJFIGQGIYMMNK-UHFFFAOYSA-N 330.255 4.092 0 50 EIAA CCOC(=O)c1c(CN(C)[C@H]2CCC[C@H]2SC)oc2ccccc12 252669301 HCEUSORQMVIKQK-WMLDXEAASA-N 347.480 4.325 0 50 EIAA O=C(C1CCSCC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 275065023 ZGQBIRBLXMFVBD-QRVBRYPASA-N 329.509 4.314 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)Nc2ccc(C3CC3)cn2)n1 933953363 DPSJRCSSPYGUBP-HNNXBMFYSA-N 342.468 4.483 0 50 EIAA FC(F)(F)c1cccc([C@H](NCc2nc[nH]n2)C2CCCCC2)c1 1350377006 NLORJKGCDSJCCV-MRXNPFEDSA-N 338.377 4.235 0 50 EIAA C[C@@H]1CCc2nc(C(=O)N[C@H](CC(F)(F)F)C(C)(C)C)ccc2C1 1875355799 ADCKAAMKZCTBEZ-IAQYHMDHSA-N 342.405 4.303 0 50 EIAA C[C@@H](c1ccc(-c2cnc3cc(F)ccc3c2)cc1)N1CCOCC1 2100482445 ZZSXYTFLKBDJAY-HNNXBMFYSA-N 336.410 4.434 0 50 EIAA O=C(COc1ccc(Cl)c(F)c1)O[C@H]1CCC[C@@H]1c1cccnc1 2325717012 DLANKNPNJDAJSA-PBHICJAKSA-N 349.789 4.132 0 50 EIAA CN(Cc1cccc(O)n1)Cc1cc(Cl)c(Cl)cc1Cl 2325824610 JGSYSGVDYLRMSZ-UHFFFAOYSA-N 331.630 4.379 0 50 EIAA O=C(Nc1ncc(C2CC2)s1)c1cccn1Cc1ccccc1F 2325871277 GEFUIQKFYGBVRF-UHFFFAOYSA-N 341.411 4.262 0 50 EIAA C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1 161693 ILRBYLNWMLZZKG-LBPRGKRZSA-N 329.400 4.356 0 50 EIAA FC(F)(F)c1ccccc1CNC1CCN(Cc2ccccc2)CC1 212548 UCEHXIKITZDDGN-UHFFFAOYSA-N 348.412 4.460 0 50 EIAA CC1(C)C[C@@H](C(=O)NCC[C@@H](c2ccccc2)c2ccco2)CCO1 215879 ARBAYEJQTAMILF-ROUUACIJSA-N 341.451 4.123 0 50 EIAA biogenic COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 222196 LHMPORLAEDKRHM-IAGOWNOFSA-N 340.814 4.086 0 50 EIAA Cc1ccccc1C(=O)NC(=S)Nc1ccccc1C(F)(F)F 342113 UVLMPIQMLOTXAL-UHFFFAOYSA-N 338.354 4.141 0 50 EIAA CC(=O)Nc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 4834705 FEXMRZLUEHUDRY-UHFFFAOYSA-N 348.855 4.419 0 50 EIAA Cc1cc(C)nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 8548820 PYQVJJZTFRNSNW-NSHDSACASA-N 339.222 4.411 0 50 EIAA c1ccc(CCCN[C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 11816142 ZITKNBWJDNKWPD-FQEVSTJZSA-N 344.462 4.138 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 12380850 OKABUNOCPYSJOG-HNNXBMFYSA-N 333.387 4.448 0 50 EIAA CSc1ccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 20994904 XQOHQBPNPHAOTQ-GOSISDBHSA-N 344.499 4.302 0 50 EIAA CCn1nccc1[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1Cl 21791766 WSNRPCAHDAQWNJ-HNNXBMFYSA-N 332.835 4.234 0 50 EIAA OC(Cn1ccc(-c2ccccc2)n1)(c1ccccc1)c1ccccc1 71767429 NIBBTWIJPGWHGC-UHFFFAOYSA-N 340.426 4.486 0 50 EIAA OCCCCN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 72121673 ASOZNSONVFRYFY-HNNXBMFYSA-N 329.406 4.123 0 50 EIAA Cc1c[nH]c(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)c1 72164932 IKANKDOPKHXPQY-GOSISDBHSA-N 325.456 4.163 0 50 EIAA O=C(Nc1nc2ccccc2s1)c1ccc(Oc2ncccn2)cc1 72437433 HYHCXRWBKMRQKZ-UHFFFAOYSA-N 348.387 4.131 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)c2ncoc2C2CC2)CC1 77379610 RKCOCSKVKKQPSJ-UHFFFAOYSA-N 342.464 4.257 0 50 EIAA CC[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1nc(C)c(C)s1 82091453 ASTADGHVDXAPJF-CQSZACIVSA-N 341.436 4.296 0 50 EIAA O=C(Nc1ccc(-c2cnco2)cc1)c1ccccc1OC(F)F 133254240 MTPCVMSAORTVNB-UHFFFAOYSA-N 330.290 4.195 0 50 EIAA Cc1ccc([C@H]2CN(Cc3cc(-c4ccco4)on3)CCO2)c(C)c1 170645416 CZQFIWADVVRWGX-HXUWFJFHSA-N 338.407 4.125 0 50 EIAA Cc1c(CN2CC(Oc3ccccc3F)C2)[nH]c2ccc(F)cc12 216050171 ACYRKWPIFMYTCW-UHFFFAOYSA-N 328.362 4.018 0 50 EIAA Cc1nn(C)c(C)c1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 271372770 HAEQMJRWGWPAAY-OAHLLOKOSA-N 332.835 4.059 0 50 EIAA c1ccc2cc(OCc3noc([C@H]4CC45CCOCC5)n3)ccc2c1 377506740 IQZQBULIALGIKE-QGZVFWFLSA-N 336.391 4.086 0 50 EIAA O[C@@H]1CCCC[C@H]1Oc1ccc(Nc2ncnc3sccc23)cc1 440545309 CNMBIFQKVJISLH-HZPDHXFCSA-N 341.436 4.117 0 50 EIAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccnc2cc(Cl)ccc12 935044280 ZKCKDILOIPQEAE-JTQLQIEISA-N 343.814 4.027 0 50 EIAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1ccsc1 1875246006 WWOINAWKZVPIEB-UHFFFAOYSA-N 331.828 4.207 0 50 EIAA COC(=O)CCCN[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 2325840901 WULRLPMDYGHCOF-SWLSCSKDSA-N 330.255 4.172 0 50 EIAA COc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 46247 DGZFZMKYWJIQAI-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C(C)=O)cc1 359065 ZGGURFOFDBUFAE-AWEZNQCLSA-N 325.408 4.420 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 441561 PMAZHOZHGDETRJ-UHFFFAOYSA-N 345.704 4.256 0 50 EIAA COC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CC[C@H](C)C2 483972 XDYCFCOAZXAOBK-JTQLQIEISA-N 349.496 4.280 0 50 EIAA Cc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1 1063187 KQPVABWVPDJCLC-UHFFFAOYSA-N 335.432 4.330 0 50 EIAA FC(F)(F)c1cc(C2CC2)c2c(n1)nn1c(-c3ccco3)ccnc21 2788437 XXHXQTWLWFSNBF-UHFFFAOYSA-N 344.296 4.434 0 50 EIAA COc1cc(C=O)cc(Cl)c1OCCCOc1ccc(C)cc1 2866716 BFEFDRRXZQQQDD-UHFFFAOYSA-N 334.799 4.317 0 50 EIAA O=C(O)C[C@@H](c1cccc2ccccc12)N1Cc2ccccc2C1=O 4014628 RBFUKUAUBFQAIK-IBGZPJMESA-N 331.371 4.012 0 50 EIAA CCCCC(=O)Nc1ccc(NCc2cccc(OC)c2)cc1OC 4661535 HFQUCQSMLBBSSW-UHFFFAOYSA-N 342.439 4.445 0 50 EIAA CCCCN(CCCC)CCNC(=O)Nc1ccc(OCC)cc1 4908477 AWYVEPKNYWZIKU-UHFFFAOYSA-N 335.492 4.109 0 50 EIAA C=C(Br)n1c(COc2ccccc2)nc2ccccc21 5092042 UIHSGDWBWOGDNP-UHFFFAOYSA-N 329.197 4.438 0 50 EIAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cccc(C)n3)C2)cc1 12441374 HCAGJSDZCSBDSS-KRWDZBQOSA-N 340.492 4.207 0 50 EIAA CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1c(C)cc(C)cc1C 14396515 WAFWXAODKWRFTR-GOSISDBHSA-N 327.424 4.417 0 50 EIAA Cc1ccc(-c2nc(NC(=O)c3cc(C)on3)sc2C)c(C)c1 16602614 XIVWDVIYXUJALK-UHFFFAOYSA-N 327.409 4.284 0 50 EIAA Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)nc2ccccc12 22109197 KNVSFXAIZSBAGH-JXMROGBWSA-N 343.474 4.379 0 50 EIAA CCOc1ccc([C@@H](C)Nc2nc(C)nc3ncccc23)cc1F 95374743 XTYAFQGPRGFWSA-LLVKDONJSA-N 326.375 4.044 0 50 EIAA CC(C)[C@@H](C)n1nccc1NC(=O)NCc1ccc(Cl)s1 97713727 DWUTXRNZZWPNTH-SNVBAGLBSA-N 326.853 4.137 0 50 EIAA O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@]2(CC=CCC2)C1 170626903 NOCYJKGZGBTHMZ-HXUWFJFHSA-N 343.492 4.126 0 50 EIAA Cc1ncsc1CCCNC(=O)C1c2ccccc2-c2ccccc21 219224929 MOTOWCXYAJFNTB-UHFFFAOYSA-N 348.471 4.313 0 50 EIAA CN(Cc1ccc2ccccc2n1)C(=O)C1(c2ccccc2F)CC1 221321347 YQTYANHSGQOFNN-UHFFFAOYSA-N 334.394 4.064 0 50 EIAA CC(C)[C@H](NC(=O)C1CCC(C(=O)O)CC1)c1ccc(Cl)cc1 262696823 GRKRAVAOZQMTTN-XUJLQICISA-N 337.847 4.044 0 50 EIAA CC(C)n1cc(NC(=O)N(Cc2ccccn2)C2CCCCC2)cn1 426549097 GRDJTNWEQXAQIE-UHFFFAOYSA-N 341.459 4.226 0 50 EIAA Clc1ccncc1CNC[C@@H](c1ccccc1)N1CCCCCC1 952863899 GTMHCNQXSFUGOA-FQEVSTJZSA-N 343.902 4.442 0 50 EIAA CCCn1nc(C)c(NC(=O)CCCc2c[nH]c3ccccc23)c1C 1529114188 MHGDZEWTTQQOEG-UHFFFAOYSA-N 338.455 4.353 0 50 EIAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1ccc2[nH]ccc2c1 1875305043 DMJUXSLGQNCCPJ-UAPYVXQJSA-N 334.419 4.288 0 50 EIAA COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 70072 REVGNIDTOSRNDP-OAQYLSRUSA-N 344.414 4.462 0 50 EIAA Cc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1C 122278 JQURSXRKGOWVAU-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA c1ccc(CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 200213 XCHZJXXJXZTARJ-UHFFFAOYSA-N 333.435 4.191 0 50 EIAA COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 457289 JBJCACOSDDMLRN-UHFFFAOYSA-N 340.404 4.080 0 50 EIAA CC(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 514027 KTXOPIYQMOYREV-UHFFFAOYSA-N 342.464 4.102 0 50 EIAA Cc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2C)cc1 1077308 WJYBIPNTZWDZBH-UHFFFAOYSA-N 334.213 4.332 0 50 EIAA S=c1[nH]nc(-c2csc3c2CCCCC3)n1C[C@H]1CCCO1 19737341 YZJULCVAXFVLTL-LLVKDONJSA-N 335.498 4.117 0 50 EIAA CCOc1cccc(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)c1 20406986 HSROPUUNMBYMID-OAHLLOKOSA-N 348.450 4.097 0 50 EIAA Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1ccccn1 55342682 KNAYWDJATVHLCK-UHFFFAOYSA-N 340.810 4.276 0 50 EIAA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1CCCc1cccnc1 67742253 ISXFDYBANWLXKM-UHFFFAOYSA-N 343.434 4.276 0 50 EIAA COc1cccc(SCc2nc(C3CC3)nn2CC(F)(F)F)c1 96179706 QQVKETIMWRUIIO-UHFFFAOYSA-N 343.374 4.019 0 50 EIAA C[C@H]1[C@H]2C=C[C@@H](C2=C2CCCC2)[C@@H]1C(=O)N(C=O)Cc1ccccc1 103216836 MIWDHVWXSSWBNK-YGWPLHOASA-N 335.447 4.110 0 50 EIAA Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1c(C)nn(C)c1C 125963224 TVNYOYLHYJOPTC-UHFFFAOYSA-N 344.459 4.304 0 50 EIAA O=C(c1ccn(C2CCCC2)n1)N(CC(F)F)c1ccc(F)cc1 193847327 NDFJSGBXGNYSCX-UHFFFAOYSA-N 337.345 4.049 0 50 EIAA COc1ccc(N2C(=O)c3ccccc3N[C@]23C[C@@H]2CC=C[C@H]23)cc1 229955790 LCYMPMHYRUSCCD-FIKMYACPSA-N 332.403 4.060 0 50 EIAA C[C@@H](Oc1ccc(C(=O)NCCc2cccnc2)cc1)c1ccccc1 252485680 HBPHUHJCFDBCFT-QGZVFWFLSA-N 346.430 4.194 0 50 EIAA C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1scnc1-c1ccccc1 252523248 CEKQRIMBSBQBJH-PXAZEXFGSA-N 336.416 4.313 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(F)c(Cl)c1Cl 263500688 KTDGCVJCJJVZAF-BIMULSAOSA-N 346.229 4.350 0 50 EIAA Cc1noc(C2CCC(N[C@@H]3CCCc4c(F)cc(F)cc43)CC2)n1 333060663 DSZKBXVUOVWZOI-OOKWDQIISA-N 347.409 4.350 0 50 EIAA C[C@H](NC(=O)N1CCC12CCCCC2)c1nc(C2CCCCC2)no1 365580995 GRLLPVCUOPCTBR-AWEZNQCLSA-N 346.475 4.297 0 50 EIAA CCCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C)cc2F)c1 822752121 NUYGWILUZQAXTQ-UHFFFAOYSA-N 328.387 4.433 0 50 EIAA CCN(C(=O)c1cnn(C(C)C)c1Cl)c1ccc(F)c(F)c1 858402337 ZFWWMOZLLBHNRL-UHFFFAOYSA-N 327.762 4.062 0 50 EIAA Cc1nc2cccc(Cl)c2cc1C(=O)OCCc1cncs1 2325855351 UANBYUSVSNSSOV-UHFFFAOYSA-N 332.812 4.053 0 50 EIAA Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2C)c1 37602 VBEHYVVAOCQSEI-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA COc1ccccc1NC(=O)NCc1ccc(Cl)c(Cl)c1 401731 XDVAAWHAUIOBIB-UHFFFAOYSA-N 325.195 4.324 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)n2)cc1 448778 FWNNKYMQKVWJGF-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA Cc1ccc(C)c(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 859112 GQFOWJYZOWCLKD-UHFFFAOYSA-N 337.463 4.164 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)NCc3ccccn3)sc2c1 2761561 XVBJIHDPVCRTCX-UHFFFAOYSA-N 330.840 4.442 0 50 EIAA Cc1cc(Cl)cc(C)c1OCCOCCNCc1ccccc1 2822228 WZBJENIOBSYDSR-UHFFFAOYSA-N 333.859 4.142 0 50 EIAA O=C(NCCOCc1ccccc1)c1ccccc1-c1ccccc1 2870324 FASHZQPTYAFPAV-UHFFFAOYSA-N 331.415 4.300 0 50 EIAA COc1ccc(NC(=S)Nc2cnc3ccccc3c2)c(OC)c1 2883016 QTVNERJCMPZHFE-UHFFFAOYSA-N 339.420 4.061 0 50 EIAA COc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1OC 3120155 JHEHNXNTFNLQKP-UHFFFAOYSA-N 343.766 4.271 0 50 EIAA Cc1ccc(COc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 4056234 JLCDLDCLJGJJFT-UHFFFAOYSA-N 343.382 4.375 0 50 EIAA CCCCN1C(=O)S/C(=C\c2ccc(OCC)cc2OCC)C1=O 4873213 BWGURAFRDWGTCX-WJDWOHSUSA-N 349.452 4.320 0 50 EIAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl 7249362 IBBSOQGEICXJOR-VIFPVBQESA-N 348.226 4.172 0 50 EIAA Cc1nc(NCc2c(F)cccc2Cl)sc1-c1ccn(C)n1 12135553 OQITVNBMPKXOMS-UHFFFAOYSA-N 336.823 4.257 0 50 EIAA CCCCNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 12138245 YVJOVVOHYYAFNE-UHFFFAOYSA-N 330.815 4.122 0 50 EIAA O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 12138603 KSVDCFRMHHEOPG-UHFFFAOYSA-N 337.423 4.347 0 50 EIAA O=C(C1CC1)N1CCC(n2c(C3CCC3)nc3cc(F)ccc32)CC1 12243540 SSOJHEQPAGZQJQ-UHFFFAOYSA-N 341.430 4.016 0 50 EIAA Cc1ccc(-c2n[nH]cc2CN[C@H](C)CCCC(C)(C)O)cc1C 15065940 YFAQXHGTSZPHNN-MRXNPFEDSA-N 329.488 4.113 0 50 EIAA Cc1ccc([C@@H](NC(=O)Cc2ccccc2C)c2cccnc2)cc1C 15839805 SROOZJZDJWVJKO-HSZRJFAPSA-N 344.458 4.455 0 50 EIAA Cc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 19842005 ASGIRKYLSSSJHE-UHFFFAOYSA-N 344.458 4.106 0 50 EIAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)NCC2 20506848 WEKALSXFBRPZOT-LJQANCHMSA-N 331.843 4.373 0 50 EIAA O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1ccco1 21525380 OHPSXRUVXIBLPV-HNNXBMFYSA-N 326.327 4.051 0 50 EIAA O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1ccccc1F 36621211 WAPKLVLRGRGPQB-OAHLLOKOSA-N 326.327 4.051 0 50 EIAA CCc1[nH]c2c(CNc3nccc(N(C)CC)n3)cc(C)cc2c1C 71749715 XMDPYJHCJZHQJZ-UHFFFAOYSA-N 337.471 4.205 0 50 EIAA Cc1cc(C(=O)N(C)[C@H](C)c2cncs2)c2cccc(C)c2n1 82097322 JCTZYPHSYFYAGJ-CYBMUJFWSA-N 325.437 4.141 0 50 EIAA CC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccnn1C 91908165 WAQCTZZWQQWZOY-AWEZNQCLSA-N 343.814 4.215 0 50 EIAA C[C@H](Nc1ccc2c(c1)C(=O)NC2)c1cccc(-c2ccncc2)c1 170592618 UOGUHIRIPRRQPC-AWEZNQCLSA-N 329.403 4.165 0 50 EIAA Clc1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)c(Cl)n1 170616877 ZAMRVEATOKUMRL-GOSISDBHSA-N 349.261 4.062 0 50 EIAA CC[C@H](NC(=O)c1cc[nH]c1C1CC1)c1nc(-c2ccccc2)c[nH]1 239882332 DBFDKEHIHISMKW-INIZCTEOSA-N 334.423 4.163 0 50 EIAA O=C(Nc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 269399655 CAUCCKBDJSHWQO-CHWSQXEVSA-N 337.345 4.384 0 50 EIAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccncc2)cc1 426443119 YESPIFHWGZULIA-FQEVSTJZSA-N 338.451 4.170 0 50 EIAA CN(Cc1cccc2cccnc12)C(=O)C1(c2ccccc2F)CC1 1506419963 OENCEDLIXKYRIN-UHFFFAOYSA-N 334.394 4.064 0 50 EIAA CCCOC1CCN([C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 2325805981 JVVUUEATIGWBEQ-IAGOWNOFSA-N 346.515 4.418 0 50 EIAA CC1=CC2(CCN(C(=O)CCc3ccccc3Cl)CC2)OCC1 2356152797 AXAMLRUUCNNLPT-UHFFFAOYSA-N 333.859 4.000 0 50 EIAA Cc1nc2sccn2c1-c1csc(Nc2ccc(O)cc2)n1 89081 QGUFVUUIPQGHAJ-UHFFFAOYSA-N 328.422 4.277 0 50 EIAA CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCCC2 179211 QATJUZVPPXRKRQ-UHFFFAOYSA-N 328.437 4.146 0 50 EIAA FC(F)(F)c1ccccc1CN1CCC(N2CCCCC2)CC1 276866 VDPWWRWQRXFKRO-UHFFFAOYSA-N 326.406 4.156 0 50 EIAA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2cc1OC 301942 JWOVUMCNDIDFQQ-UHFFFAOYSA-N 346.386 4.217 0 50 EIAA COc1ccc(-c2c(C)oc3c(C)c(OC(C)=O)ccc3c2=O)cc1 310526 JXTRJSOQESQEJC-UHFFFAOYSA-N 338.359 4.011 0 50 EIAA Cc1ccccc1SCc1nnc(S)n1Cc1ccccc1 381956 DPURKJKBWFERDJ-UHFFFAOYSA-N 327.478 4.216 0 50 EIAA Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1C 455615 LQWZKSQGXLNDQJ-UXBLZVDNSA-N 344.867 4.483 0 50 EIAA COC(=O)c1sccc1NC(=O)c1ccc(Cl)c(Cl)c1 460577 CDTZBYYMQZLWLC-UHFFFAOYSA-N 330.192 4.094 0 50 EIAA Cc1cccc(C2=N/C(=C/c3c(C)[nH]c4ccc(C)cc34)C(=O)O2)c1 460681 QNIZLEBVWQADSP-YBFXNURJSA-N 330.387 4.438 0 50 EIAA CCn1c(NCc2cccc(Br)c2)nc2ccccc21 619851 NIUYYDQIMRVSCV-UHFFFAOYSA-N 330.229 4.431 0 50 EIAA CCc1cc(=O)oc2cc(OC(=O)c3cccs3)c(Cl)cc12 858616 ZVLONQCJDLILCQ-UHFFFAOYSA-N 334.780 4.290 0 50 EIAA Cc1cc(C)cc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 1904915 OKTFFXLPWWUVRR-UHFFFAOYSA-N 325.452 4.410 0 50 EIAA CCCOC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1CC 2102033 PETLIDDSWJEWBY-UHFFFAOYSA-N 331.437 4.438 0 50 EIAA COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2C=O)cc1 2557888 XPBSSEDTORFOLN-UHFFFAOYSA-N 326.783 4.073 0 50 EIAA Cc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3)c2C)cc1C 2698858 RAXMGIPQHVALMR-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA O=C(C(=O)N1CCCCC1)c1c(-c2ccccc2)[nH]c2ccccc12 3627988 VGZLFDCJSLGJOG-UHFFFAOYSA-N 332.403 4.030 0 50 EIAA O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1cccs1 3672232 WCFZKEPYTJJKDL-UHFFFAOYSA-N 329.402 4.448 0 50 EIAA COc1ccccc1C(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 4839676 AQYJAJCOIISKME-UHFFFAOYSA-N 349.434 4.118 0 50 EIAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1 6502327 QBDFSLJIFSOPSE-GFCCVEGCSA-N 347.436 4.008 0 50 EIAA COc1ccc(-c2noc(-c3ccc(OC(C)C)cc3)n2)cc1OC 6743934 WBINVHKNONUHED-UHFFFAOYSA-N 340.379 4.208 0 50 EIAA CCCCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O 8860447 UXGXCGPWGSUMNI-BVHTXILBSA-N 336.472 4.158 0 50 EIAA endogenous,in-man Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)s1 11773709 JRCVERAIOAOWCK-LBPRGKRZSA-N 349.402 4.070 0 50 EIAA CCOC(=O)c1cnc2c(C)cc(Br)cc2c1Cl 19438427 GUZLBLXLNXZMGX-UHFFFAOYSA-N 328.593 4.136 0 50 EIAA in-vitro Cc1noc(-c2ccccc2NC(=O)c2ccc3ccccc3c2)n1 22463679 UCHBUZAKXSBYFE-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA Cc1cc([C@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)on1 53400686 SSDCASCLPNARTR-GFCCVEGCSA-N 345.449 4.145 0 50 EIAA CC[C@H](NC(=O)CCn1c(C)cc2ccccc21)c1cc(C)ccn1 55061094 QUWWOZDXSLAQTP-SFHVURJKSA-N 335.451 4.311 0 50 EIAA COc1cccc2c(C)cc(N3CCN(c4ccccc4C)CC3)nc12 55425326 FXTHSMWCQSBHKN-UHFFFAOYSA-N 347.462 4.187 0 50 EIAA O=C(C1CCC(F)(F)CC1)N1CC[C@H](CSc2ccccc2)C1 136512318 NWGVQJWWSFMXMA-AWEZNQCLSA-N 339.451 4.453 0 50 EIAA O=C(Cc1cccc(Cl)c1Cl)N1CCCC[C@@H]1c1ncc[nH]1 193956159 MAEMDFHVSZJUQP-CYBMUJFWSA-N 338.238 4.013 0 50 EIAA Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1 225745302 HVJJFHCJADKZQH-UHFFFAOYSA-N 332.741 4.082 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 280642224 BGYQVIDDFYTYBA-SCLBCKFNSA-N 344.434 4.298 0 50 EIAA Cc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)c1c(C)noc1C)CCC2 288544070 HROIVONHLRFQIG-KRWDZBQOSA-N 326.440 4.071 0 50 EIAA O=C(CCc1cccc(C(F)(F)F)c1)NC1CCC(F)(F)CC1 463585157 CDKMLUKFYWDYQE-UHFFFAOYSA-N 335.316 4.332 0 50 EIAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2cccnc2)nc2ccccc12 737580703 BPDFFMWAYPAAIN-AUSJPIAWSA-N 343.430 4.215 0 50 EIAA Cc1c(F)ncnc1N1CCC(c2nc3cc(Cl)ccc3o2)CC1 872415515 LAFLRACVKRGTDI-UHFFFAOYSA-N 346.793 4.103 0 50 EIAA Cc1cnn(C)c1NC(=O)N[C@H](C)c1cc(Cl)cc(Cl)c1F 931890055 DPDKFFKYBCFEEP-MRVPVSSYSA-N 345.205 4.057 0 50 EIAA CCn1cncc1[C@H]1CCCCN1C(=O)c1cc(F)cc2ccoc12 936024899 RIIBHEPLTZRZER-MRXNPFEDSA-N 341.386 4.156 0 50 EIAA Cc1nc(NC(=O)c2cc(C3CC3)[nH]n2)cc(-c2ccccc2)c1C 1857717157 MWDCLQXEKKUECR-UHFFFAOYSA-N 332.407 4.218 0 50 EIAA CCc1ccc([C@@H](Nc2ncnc3c2ncn3CC)C(C)(C)C)o1 1875264977 TZOVRNIJSJCWFQ-OAHLLOKOSA-N 327.432 4.201 0 50 EIAA CN(C)c1ccc(-c2nc([C@H]3CC[C@H](C)CC3)n(CCF)n2)c(F)c1 1875347663 BJFQQRYBNQXISL-HDJSIYSDSA-N 348.441 4.413 0 50 EIAA CC(C)c1ccc(-c2nc(CN[C@@H](CO)C3CCC3)cs2)cc1 1875354027 OQYLGCBYFWOAFT-SFHVURJKSA-N 330.497 4.184 0 50 EIAA Cc1cnc(C)c(NC2CC(c3ccc(Br)cn3)C2)c1 2325827721 OJKVXYJNDCIVKY-UHFFFAOYSA-N 332.245 4.214 0 50 EIAA Cc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 97510 YSTKWLBWTBOJFJ-UHFFFAOYSA-N 342.402 4.290 0 50 EIAA O=C(c1cccs1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 99836 RYAVPGRPUUVYAH-UHFFFAOYSA-N 341.263 4.017 0 50 EIAA Cc1cc(C)c(S(=O)(=O)Nc2cccc3ccc(C)nc23)c(C)c1 194584 QJQDSFCSQRJGDC-UHFFFAOYSA-N 340.448 4.269 0 50 EIAA O=C1N[C@@H](c2ccccc2OCc2ccccc2)Nc2ccccc21 276611 VDPSMZHUXSLURS-FQEVSTJZSA-N 330.387 4.120 0 50 EIAA CC[C@H](C)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 445505 CDBFFWTWKMYOMB-ZDUSSCGKSA-N 343.423 4.478 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N(c1ccccc1)c1ccccc1)OC2=O 2172655 UOAFRVOULZECKY-YADHBBJMSA-N 349.430 4.473 0 50 EIAA Cc1cccc(NC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 2762811 WIKJSBYYHRXTFU-UHFFFAOYSA-N 337.423 4.265 0 50 EIAA N=c1oc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1Cl 4949734 NUJAWWSIWURETA-UHFFFAOYSA-N 333.174 4.471 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)N(C)CC3CCOCC3)c(C)c2c1 12021961 JBORZDLDAMXOBJ-UHFFFAOYSA-N 335.831 4.202 0 50 EIAA O=C(c1csc2nc(-c3cccc(F)c3)cn12)N1CCCCCC1 12431537 YDZFYCQPRYGGLJ-UHFFFAOYSA-N 343.427 4.218 0 50 EIAA Cc1c([C@@H](C)NCc2cc(F)cc(F)c2)cnn1-c1cccc(F)c1 12613315 XQPGQISYTKQIEZ-GFCCVEGCSA-N 345.368 4.449 0 50 EIAA C/C=C(\C)CN1CCC[C@@H](CNC(=O)c2cccc3ccccc23)C1 12712813 NFFMUUDELKWIJT-KAKVSTIOSA-N 336.479 4.248 0 50 EIAA CC(C)CN1CCC[C@H]1c1ccc(C(=O)Nc2cccnc2)s1 23251323 SCKSUSVTTVNSRX-HNNXBMFYSA-N 329.469 4.188 0 50 EIAA CC[C@@H](c1ccc(OC)cc1)N(CC)C(=O)C1CCC(OC)CC1 55196059 ZQVMMSIAMBQTRS-KVZIAJEVSA-N 333.472 4.200 0 50 EIAA CCCc1nc(C)c(CNC(=O)c2sc(C(C)C)nc2C)s1 92065931 IZWUPJRDFZVTPV-UHFFFAOYSA-N 337.514 4.222 0 50 EIAA Cc1ccc(Cl)c(NC(=O)NC2CCN(C3CCCC3)CC2)c1 120567768 DDIXAMJDVBCXCB-UHFFFAOYSA-N 335.879 4.177 0 50 EIAA COc1ccccc1NC(=O)c1n[nH]c(-c2ccc(Cl)cc2)c1C 131349109 AHOYJKTVNXQEBH-UHFFFAOYSA-N 341.798 4.299 0 50 EIAA Cc1noc(-c2ccccc2)c1NC(=O)N(Cc1ccccn1)C1CC1 185462581 DGKUAMGMWUOVHI-UHFFFAOYSA-N 348.406 4.242 0 50 EIAA CCCOc1ccc(CNCc2c(C)nn(CCC)c2C)c(C)c1 252485195 GOYHOXDESMTOML-UHFFFAOYSA-N 329.488 4.297 0 50 EIAA C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(C(F)(F)F)s2)cn1 671801399 XSDQKKUDDNGGAP-QMMMGPOBSA-N 329.347 4.187 0 50 EIAA Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(Cl)c2occc12 935793003 CFFYKACJTGLBPY-MRXNPFEDSA-N 343.814 4.187 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 1775975385 APLLLLFBWCVNOK-CHWSQXEVSA-N 332.856 4.418 0 50 EIAA C[C@H](SCCCn1ccnc1)c1nnc(-c2ccccc2F)s1 2325760015 BLOFZMNLBQCFSZ-LBPRGKRZSA-N 348.472 4.425 0 50 EIAA Cc1nc(NC(=O)N2Cc3c(F)cccc3C(C)(C)C2)sc1C 2325828302 DFYNFJKMICDYGV-UHFFFAOYSA-N 333.432 4.224 0 50 EIAA O=C1C[C@@H](c2ccc(Cl)cc2)Sc2nc(-c3ccccc3)nn21 67873 WRXONHLFILKZQE-AWEZNQCLSA-N 341.823 4.476 0 50 EIAA O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 72370 JNCSQROSIMRUQO-ZWKOTPCHSA-N 339.391 4.308 0 50 EIAA Cc1sc(NC(=O)c2cc(Cl)ccc2Cl)c(C(N)=O)c1C 474963 OJQNSYNKWMSTPV-UHFFFAOYSA-N 343.235 4.023 0 50 EIAA COc1ccccc1NC(=O)CSCc1c(F)cccc1Cl 581836 VQLGPCOLENOHLC-UHFFFAOYSA-N 339.819 4.360 0 50 EIAA COc1cc(-c2noc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 1191077 VALPMGZHFZNLJD-UHFFFAOYSA-N 346.770 4.083 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1C 1219050 PVXNXBHYLJUXKY-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA O=C(Nc1ccccc1)OCCCCOC(=O)Nc1ccccc1 1634176 GCORSUUCQDCPOM-UHFFFAOYSA-N 328.368 4.264 0 50 EIAA CC(C)OC(=O)NC(C)(C)COC(=O)Nc1cccc2ccccc12 2819949 WDGBIRNWQGFDAK-UHFFFAOYSA-N 344.411 4.302 0 50 EIAA CCCCC/C=C/C[C@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 4543698 VNYSSYRCGWBHLG-KQQZWENBSA-N 336.472 4.158 0 50 EIAA in-vitro Clc1ccccc1COc1ccccc1CNC[C@@H]1CCCO1 4657509 QSMRCCPFFQKYGZ-KRWDZBQOSA-N 331.843 4.188 0 50 EIAA CC(=O)N1N=C(c2ccccc2)O[C@@]1(C)C12CC3CC(CC(C3)C1)C2 4721526 WCGKVOSPIUCGCL-FFWRVTDESA-N 338.451 4.160 0 50 EIAA Cc1ccc(N2C(=O)C(=N)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 4795899 AIFHOMDDGSJIOK-UHFFFAOYSA-N 348.189 4.252 0 50 EIAA COc1ccc([C@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 4903828 IBSGQZGWUCTPMN-HILYYZTDSA-N 327.468 4.479 0 50 EIAA CCCc1sc(C(=O)Nc2cccc(C)n2)cc1Br 5946885 FGHBUHMTGWOWTL-UHFFFAOYSA-N 339.258 4.419 0 50 EIAA CC(C)(C)[C@H](Cn1cccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2 6386716 YOUUKIQHCANRAF-QQABJKMWSA-N 343.515 4.021 0 50 EIAA CCCCOc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 6730127 MBLLGGVEEQZARU-UHFFFAOYSA-N 340.423 4.101 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 7185152 PRZAJBXBEQIAOE-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA Sc1nc(-c2ccccc2Cl)n(-c2nc3ccccc3s2)n1 9008041 OTGOPMGKJGRQAL-UHFFFAOYSA-N 344.852 4.486 0 50 EIAA Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 10156531 SIMYCGQLTJFJOA-INIZCTEOSA-N 329.403 4.441 0 50 EIAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)C2=CCCCC2)C1 12298333 DXOFPPWEPPKYAE-INIZCTEOSA-N 331.843 4.262 0 50 EIAA CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 12404427 LKQPPZFOMSRRIB-UHFFFAOYSA-N 342.414 4.340 0 50 EIAA COc1ccc(-n2ncc([C@H](C)NCc3ccsc3)c2C)cc1 12707627 LQNVJTQPIMNKOO-ZDUSSCGKSA-N 327.453 4.102 0 50 EIAA Cc1ccc(SCCCN2CCN(Cc3ccccc3)CC2)cc1 20500107 FYAGEUWIKIDQSD-UHFFFAOYSA-N 340.536 4.295 0 50 EIAA CC[C@H](C)CCNC1CCN(c2ccc(-n3ccnc3C)cc2)CC1 48371812 KPVGIFRSSADMAI-KRWDZBQOSA-N 340.515 4.175 0 50 EIAA COc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1ccccc1C)n2C 91951991 RARWLLJSBBGFSY-FQEVSTJZSA-N 348.446 4.473 0 50 EIAA O=C(c1ccccc1-c1ncc[nH]1)N1CCCCC[C@H]1c1ccco1 95357884 VVVLKVQRKFJUDT-KRWDZBQOSA-N 335.407 4.427 0 50 EIAA O=C(c1cnc2c(c1)CCCC2)N(Cc1ccccn1)C1CCCCC1 97600973 VWBFLIBEGYXBKI-UHFFFAOYSA-N 349.478 4.331 0 50 EIAA CN(Cc1cccs1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101173572 LAFAJOAOESQLLN-IBGZPJMESA-N 334.444 4.274 0 50 EIAA CC(C)c1noc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 179069379 UTKIHLBTMQLCNQ-KRWDZBQOSA-N 342.830 4.121 0 50 EIAA Cc1cc([C@@H]2CCCCN2C(=O)CCCOCc2ccccc2)no1 223084996 WPDHTOXAGBARHZ-IBGZPJMESA-N 342.439 4.034 0 50 EIAA CO[C@H](CSCc1noc(-c2scnc2C)n1)c1ccccc1 252496356 PHNJDMDRQPYTCM-CYBMUJFWSA-N 347.465 4.122 0 50 EIAA C[C@]12CCC3(C[C@H]1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)CCC[C@H]12)OCCO3 253592461 ZQDFDIIVEXMNKF-NUBKVZTMSA-N 332.484 4.341 0 50 EIAA C[C@@]12CCC[C@@H]1[C@H]1CC[C@H]3CC4(CC[C@]3(C)[C@@H]1C(=O)C2)OCCO4 253592465 ZQDFDIIVEXMNKF-XPWCJWLUSA-N 332.484 4.341 0 50 EIAA Cc1nc2ccc(NCc3nnc(C4CC4)n3C3CC3)cc2s1 272813986 IRDXKQQEOBKPEI-UHFFFAOYSA-N 325.441 4.021 0 50 EIAA CC[C@H]1CN(Cc2cccc3cccnc23)Cc2cc(OC)ccc2O1 299767053 BLOUNCBUOBHQQZ-IBGZPJMESA-N 348.446 4.417 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)c2c(C)oc3c2C(=O)CCC3)c(C)s1 299792756 GWYSJSVSQFHCQB-SECBINFHSA-N 346.452 4.014 0 50 EIAA O=C(N[C@@H](CCCO)c1ccccc1)c1c(Cl)cccc1Cl 305148562 OHLHJGCJLHTZLZ-HNNXBMFYSA-N 338.234 4.237 0 50 EIAA CC(C)C[C@H](NC(=O)CCCc1ccc(F)cc1)c1cccnc1 821004061 NFQXKFDECKJVRD-IBGZPJMESA-N 328.431 4.447 0 50 EIAA CC[C@]1(C)OC(=O)N(Cc2ccc(Cl)c(C(F)(F)F)c2)C1=O 853725684 RRMZQRBBNFQKDP-ZDUSSCGKSA-N 335.709 4.006 0 50 EIAA Cc1c(Cl)cncc1NC(=O)N1CCC[C@@H]1c1ccc(O)cc1 931580501 QEAGELBPQJQOQI-MRXNPFEDSA-N 331.803 4.118 0 50 EIAA Cc1ccc(N(C(=O)c2cc(C(F)F)ncn2)C2CCCCC2)nc1 1775994591 VZJLQBZTRYYOQV-UHFFFAOYSA-N 346.381 4.097 0 50 EIAA Cc1cccc(C)c1OCc1nn2c(CSC(C)C)nnc2s1 1776111046 PRHOKKADLDCSHK-UHFFFAOYSA-N 348.497 4.023 0 50 EIAA O=C(OCCCc1cn[nH]c1)c1ccc(-c2cccs2)cc1F 2325717493 PGPUKXDGZAWONU-UHFFFAOYSA-N 330.384 4.067 0 50 EIAA COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 70067 REVGNIDTOSRNDP-NRFANRHFSA-N 344.414 4.462 0 50 EIAA Fc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 234545 JDOHALNZXSRDPZ-UHFFFAOYSA-N 338.348 4.167 0 50 EIAA COc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 442259 OFJBVFAZWRBKDM-NSHDSACASA-N 339.313 4.120 0 50 EIAA COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 458998 HHOWNBGUOWCTCQ-UHFFFAOYSA-N 341.190 4.368 0 50 EIAA C[C@@H]1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)s1 469701 QFOUOWKUVBUCIE-SECBINFHSA-N 345.848 4.071 0 50 EIAA COC(=O)Nc1ccc(-c2ccc(NC(=O)OC)c(C)c2)cc1C 473876 ZHIIOTCIPVLYDH-UHFFFAOYSA-N 328.368 4.327 0 50 EIAA Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1C 482235 SALHCMLXWUQHBC-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA Cc1ccc(N2C[C@H](C(=O)Oc3cccc4ccccc34)CC2=O)cc1 993451 YHPRCNIJTJYYLY-QGZVFWFLSA-N 345.398 4.107 0 50 EIAA Fc1ccccc1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 3684285 PHCYKCCSITZFJO-UHFFFAOYSA-N 338.348 4.167 0 50 EIAA COC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1 4052945 QOOCDPCPQKGZOH-UHFFFAOYSA-N 338.310 4.164 0 50 EIAA N=c1sc(Cc2cccc(Cl)c2)cn1CC(=O)c1ccccc1 5091067 TWSSDNZWYAPPQU-UHFFFAOYSA-N 342.851 4.156 0 50 EIAA Cc1cc(C)cc(NC(=O)CSc2nc(C)c3c(n2)CCCC3)c1 6746800 ADCDQKDPYQWXMN-UHFFFAOYSA-N 341.480 4.011 0 50 EIAA Cn1nc(-c2ccccc2)c([C@@H](O)c2ccc(Cl)cc2)c1Cl 6925449 YHDAICFSKYFDPB-INIZCTEOSA-N 333.218 4.476 0 50 EIAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)cc1 12308403 PPWDDPPLBIBBPL-OAHLLOKOSA-N 328.378 4.165 0 50 EIAA c1ccc(CCCN2CCC[C@]3(CCN(Cc4ccco4)C3)C2)cc1 14957512 LCFVBXMLMVRVID-QFIPXVFZSA-N 338.495 4.200 0 50 EIAA COc1ccc(Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)cc1 23312061 SKAIITBYXMTTTN-UHFFFAOYSA-N 342.402 4.064 0 50 EIAA COc1ccc(OC)c2c(C)cc(NCc3ccc(F)cc3)nc12 23550132 MNKSIUBRHVVTRO-UHFFFAOYSA-N 326.371 4.312 0 50 EIAA Cc1c(NCc2ccccn2)cccc1C(=O)N1Cc2ccccc2C1 55211540 HYQQUCMRXUPSAW-UHFFFAOYSA-N 343.430 4.158 0 50 EIAA COc1c(C)cnc(CN(C)C(=O)Nc2cccc(SC)c2)c1C 58601303 NHDBDFNZTBGORA-UHFFFAOYSA-N 345.468 4.093 0 50 EIAA Oc1ccccc1CCCn1cnc(-c2ccccc2)c1-c1ncc[nH]1 67967972 WFNKJOIGNMVHTR-UHFFFAOYSA-N 344.418 4.279 0 50 EIAA Cc1nc2c(C(=O)N3CCC[C@H](CCc4ccccc4)C3)cccc2[nH]1 71763176 JTKCCJITVQHFAL-GOSISDBHSA-N 347.462 4.356 0 50 EIAA CCCCn1ccnc1C1CCN(c2ccc(CSC)cn2)CC1 95507228 KYAPAGHQXFFSCM-UHFFFAOYSA-N 344.528 4.325 0 50 EIAA Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(Cl)cn1)CCC2 175868919 HSGBQRQCIYTJOY-LBPRGKRZSA-N 336.848 4.041 0 50 EIAA Cc1noc(C)c1[C@@H]1CCCN1Cc1nn(C)c2cccc(Cl)c12 215899851 LOSARWKUEQHMPS-INIZCTEOSA-N 344.846 4.169 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)c2cc(Cl)ccc2F)c(C)s1 223648452 GNOPTXDFVITLBV-QMMMGPOBSA-N 326.824 4.386 0 50 EIAA Cc1cccc(-c2nnc([C@@H](C)N3CCO[C@@H](c4ccccc4)C3)o2)c1 229133141 BNXJYAOVTSFBDA-VQIMIIECSA-N 349.434 4.180 0 50 EIAA CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)sc2C1 252517893 UJUNZKSXDGBDCI-VHDGCEQUSA-N 341.480 4.185 0 50 EIAA Cc1ccccc1C1CC(N(C(=O)CCC2CCNCC2)C2CC2)C1 263248398 PNRBAHITHQJBKE-UHFFFAOYSA-N 340.511 4.012 0 50 EIAA Cc1ccc(NC(=O)N2CCC(Oc3ccncc3)CC2)c(Cl)c1 299764746 DLNJCCJQBIOWID-UHFFFAOYSA-N 345.830 4.119 0 50 EIAA Cn1ncc(C2CC2)c1C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 888904058 HCQLNTHKIBOAGN-WMZOPIPTSA-N 337.467 4.144 0 50 EIAA Cc1cc(CN2CCC([C@H](CC(=O)O)c3ccccc3)CC2)c(C)o1 901603586 QGNOUXCGSVVMFE-HXUWFJFHSA-N 341.451 4.367 0 50 EIAA O=C(c1cccc(-c2ccccc2CO)c1)N1C[C@H]2CCC[C@@H](C2)C1 1565525928 NBNJWCYTCGGDSV-IRXDYDNUSA-N 335.447 4.108 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccccc1NCC(C)C)C2 1704302543 OXBPQOSFVNRVHB-TZIWHRDSSA-N 344.499 4.176 0 50 EIAA c1ccc2sc(N3CCC4(CC3)OCCc3sccc34)nc2c1 1704331308 QVXDNNIZELMLIJ-UHFFFAOYSA-N 342.489 4.426 0 50 EIAA O=C(NC(=S)Nc1ccc(Nc2ccccc2)cc1)c1ccco1 170909 OPEMLMNLXRBGKG-UHFFFAOYSA-N 337.404 4.150 0 50 EIAA O=C(COc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 316032 PPHDHXGRUSEPCN-UHFFFAOYSA-N 335.378 4.110 0 50 EIAA CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1 367871 NZJKSMWOYLWTRB-UHFFFAOYSA-N 341.407 4.090 0 50 EIAA CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 454092 RYTIFNGSKACZGY-UHFFFAOYSA-N 333.435 4.330 0 50 EIAA COc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 454566 AFJWAVCRWVMZOP-WEVVVXLNSA-N 336.218 4.332 0 50 EIAA O=C(Nc1ccccc1OC(F)F)c1ccccc1Br 556085 FMMWAUCEILXWRM-UHFFFAOYSA-N 342.139 4.303 0 50 EIAA COc1cc(NC(=O)Nc2ccc(F)cc2F)c(OC)cc1Cl 610072 KLARYKCRYPKQGM-UHFFFAOYSA-N 342.729 4.279 0 50 EIAA CN(C(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 615368 LNTOHJUGFTWPBS-UHFFFAOYSA-N 326.465 4.135 0 50 EIAA COc1cc2c(cc1OC)[C@H](c1cccc3ccccc13)CC(=O)N2 1461151 YTQWNWFQZKCQPK-INIZCTEOSA-N 333.387 4.331 0 50 EIAA O=C(NN1CCCCC1)c1cccc(COc2ccc(Cl)cc2)c1 2759986 WFZFRDAPIDGGDH-UHFFFAOYSA-N 344.842 4.050 0 50 EIAA Cc1cc(O[C@H](C)C(=O)N2CCc3ccccc3C2)cc(C)c1Cl 2764771 IFUJJPWGDUNZTH-OAHLLOKOSA-N 343.854 4.309 0 50 EIAA FC(F)(F)[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ccnn21 2766709 CMGLKEOAMCPSQK-WDEREUQCSA-N 346.150 4.306 0 50 EIAA O=C(Nc1cccc2ccccc12)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 4724375 IGZCDZIYCVPQKN-CABCVRRESA-N 329.783 4.012 0 50 EIAA Cc1cc(Cl)cc(Br)c1OCCCCn1ccnc1 4841113 RWCHRHXWHAEJEL-UHFFFAOYSA-N 343.652 4.467 0 50 EIAA Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccccc3)[nH]c2cc1C 5065667 UBOFJUBPHYWDCB-AWEZNQCLSA-N 339.464 4.149 0 50 EIAA O=C(c1ccc2ncccc2c1)N1CCC[C@H](Nc2ccc(F)cc2)C1 11821720 SZVJEXULJYSYPZ-IBGZPJMESA-N 349.409 4.091 0 50 EIAA O=C(CC1=CCCCC1)N1CCc2onc(-c3ccccc3F)c2C1 12704404 QNYCQJVVLURCIW-UHFFFAOYSA-N 340.398 4.256 0 50 EIAA CCCCC[C@@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(=O)O 27640598 HYBPXYQCXNOTFK-UQBGWGGYSA-N 340.504 4.296 0 50 EIAA in-vitro COc1ccc(-c2ccnc3nc(SCc4ccccc4)nn23)cc1 57530976 NJNXPRYYMFIASR-UHFFFAOYSA-N 348.431 4.092 0 50 EIAA Cc1c(CN2CCC[C@H](Cn3ccnc3)C2)[nH]c2c(Cl)cccc12 72149770 CHPLHPLBHHJHHV-HNNXBMFYSA-N 342.874 4.238 0 50 EIAA Clc1ccc(C2=C[C@@H](c3ccccc3Cl)n3nnnc3N2)cc1 100819095 WYJBKNZRBZFJQW-HNNXBMFYSA-N 344.205 4.036 0 50 EIAA CCCCc1noc(CNc2ccccc2N2CCCCCC2)n1 120423607 OZXUDDODVQIMNJ-UHFFFAOYSA-N 328.460 4.405 0 50 EIAA Fc1ccccc1Nc1nnc(SCCc2cccnc2)s1 134297646 HLABTRQHVHTNNU-UHFFFAOYSA-N 332.429 4.151 0 50 EIAA COc1ccc(CNc2ncnc3ccccc23)cc1Br 170614834 RIOJOLNYUFRCDG-UHFFFAOYSA-N 344.212 4.013 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1csc(CCC)n1 216194201 DWOWYDQLFSGWDL-MRXNPFEDSA-N 331.485 4.494 0 50 EIAA Nc1nc2ccccc2cc1C(=O)Nc1cccc(Cl)c1Cl 252510213 ZEKMBALHKZRJAT-UHFFFAOYSA-N 332.190 4.376 0 50 EIAA COc1cccc(Cl)c1CNC1(c2noc(C3CC3)n2)CCCC1 253392380 ORCOYNCUERDZLM-UHFFFAOYSA-N 347.846 4.168 0 50 EIAA CC1(C)CN(Cc2cnc([C@@H]3CCCO3)s2)Cc2ccccc2O1 290156826 LMSLNAYJSPBTBN-KRWDZBQOSA-N 344.480 4.168 0 50 EIAA O=C(c1ncoc1C1CC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 293484476 SQIGNQKGMWXGNW-QGZVFWFLSA-N 335.407 4.401 0 50 EIAA CC1(C)C[C@@H](C(=O)NCc2ccc(-c3cccc(Cl)c3)o2)CCO1 299766910 COHTVNGGCWIXDA-AWEZNQCLSA-N 347.842 4.421 0 50 EIAA Cc1ccccc1C1CC(N(Cc2ccc(C(N)=O)cc2)C2CC2)C1 353664679 ILKGBYXCPDKIGU-UHFFFAOYSA-N 334.463 4.005 0 50 EIAA Cc1cc(Cl)c(C(=O)N2CC[C@H](C(=O)O)c3ccccc32)cc1C 669434214 NSGBXKRGCMBKBJ-AWEZNQCLSA-N 343.810 4.176 0 50 EIAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 822376141 SAFSZMKDBPXELQ-NSHDSACASA-N 346.789 4.247 0 50 EIAA Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cnc(CC(C)C)s1 935449447 ZMHDFQDDIHYEIX-UHFFFAOYSA-N 340.452 4.292 0 50 EIAA Cc1cc(C)c2c(CC(=O)Nc3cnn(C(C)C)c3)coc2c1C 1506415975 FNIXSBMUBTXGLO-UHFFFAOYSA-N 325.412 4.317 0 50 EIAA CC(C)Cc1ccccc1CN1CC[C@@H](CO)[C@@H](c2ccccc2)C1 1875344370 IMOYNSYYMKEUGZ-XZOQPEGZSA-N 337.507 4.483 0 50 EIAA C[C@H](N)c1nc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cs1 1875361835 DKIXLOSYTNGLGQ-ZDUSSCGKSA-N 349.459 4.033 0 50 EIAA CC1=CC2(CCN(C(=O)c3cccc4cc(C)oc34)CC2)OCC1 2356158310 XXHCQNOSICISTN-UHFFFAOYSA-N 325.408 4.083 0 50 EIAA COc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3C)cc2c1 105727 LVFJEUXYMAWTPD-UHFFFAOYSA-N 343.766 4.016 0 50 EIAA CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 184316 PDGANVYYXNXAIL-UHFFFAOYSA-N 342.489 4.107 0 50 EIAA COc1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 240188 JDYXFMUXYCXJMQ-KRWDZBQOSA-N 327.453 4.014 0 50 EIAA biogenic CCOc1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1 434317 WKRQHLDTMZAEHG-UHFFFAOYSA-N 329.396 4.135 0 50 EIAA O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cccnc3)nc2c1 444613 SKYMIPRUFZVPAX-SOFGYWHQSA-N 331.331 4.135 0 50 EIAA COc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CCC4)c1 2229832 KWELEOXREJXIRK-UHFFFAOYSA-N 336.387 4.178 0 50 EIAA CN(C)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 2814194 LYZRBDSKXOVSKP-UHFFFAOYSA-N 349.459 4.033 0 50 EIAA O=C(CSCc1c(Cl)cccc1Cl)NCc1ccco1 2842240 XOUFKGCCLXGSOM-UHFFFAOYSA-N 330.236 4.136 0 50 EIAA COCCCNCCCCOc1ccc(Cl)cc1C(C)(C)C 3460430 PPWQCKQADHNRKZ-UHFFFAOYSA-N 327.896 4.423 0 50 EIAA O=[S@@](NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 4293920 OBXHPMFEIMRIAU-CBMNVYQQSA-N 325.477 4.421 0 50 EIAA O=C(O)c1cccc2cccc(S[C@@H](C(=O)O)c3ccccc3)c12 5048017 QLPGTEJBJMAWBB-QGZVFWFLSA-N 338.384 4.456 0 50 EIAA CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1 6729369 QJTVSCFKGFIVGF-UHFFFAOYSA-N 341.798 4.052 0 50 EIAA CC1CCN(C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)CC1 10460786 NFLBFWKUYUVNDX-UHFFFAOYSA-N 343.471 4.013 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1 12138333 ZXEYBZQQUVPSTD-UHFFFAOYSA-N 330.815 4.260 0 50 EIAA Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(F)cc2F)o1 13641003 HBFLFOSYEXLOTP-UHFFFAOYSA-N 332.306 4.006 0 50 EIAA Cc1nc([C@@H](C)N(C)Cc2cc(-c3ccccn3)no2)c(C)s1 77298793 GSXJYKGZBNNPRL-LLVKDONJSA-N 328.441 4.003 0 50 EIAA Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)s1 82107150 SCPFVHRSOFSEFR-MRXNPFEDSA-N 344.480 4.093 0 50 EIAA COCC1=CCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 186934733 INARISRNFISGTQ-UHFFFAOYSA-N 334.485 4.388 0 50 EIAA C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H]1c1ccsc1 241132999 JNXFHXBIGYBAHO-DOMZBBRYSA-N 326.425 4.091 0 50 EIAA CC[C@@H](c1ccccc1OC)N(C)c1cc(C)nc(-c2ccncc2)n1 241965589 UUBOFRLXTKVMOQ-SFHVURJKSA-N 348.450 4.443 0 50 EIAA CC(C)Cn1c([C@H]2CCCN2C(=O)c2ccccn2)nc2ccccc21 252533115 FWANYMWVCKPSFY-LJQANCHMSA-N 348.450 4.065 0 50 EIAA O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1ccc2nc[nH]c2c1 263588753 XYHJCFKENZVBNC-KRWDZBQOSA-N 336.420 4.044 0 50 EIAA Fc1cc(Br)c(OC(F)(F)F)cc1Br 263625373 ZHLYLBPCOYPKRE-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA CN(C(=O)CCc1cccs1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273295153 LTEKCGOCSZNKCN-WMZOPIPTSA-N 347.455 4.199 0 50 EIAA Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)n1C(F)F 299802555 ZJCUFTTWPZKDPH-GFCCVEGCSA-N 338.785 4.475 0 50 EIAA CC1=CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1 426596439 FVHCDPPSGUGGKO-UHFFFAOYSA-N 329.403 4.089 0 50 EIAA COc1cc(NC(=O)CCC=Cc2ccccc2)ccc1NC(C)=O 1857529321 PGYFVRUUPPNACL-UHFFFAOYSA-N 338.407 4.086 0 50 EIAA O=C(Nc1ccccc1)c1ccc(NCc2cccn3nccc23)cc1 1875319441 CEYWKROPOZICSU-UHFFFAOYSA-N 342.402 4.199 0 50 EIAA Cc1cc2c(cc1O)CCN(Cc1csc(CCC(C)C)n1)C2 2325827294 BLGYEOPDJPLOKT-UHFFFAOYSA-N 330.497 4.304 0 50 EIAA Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)nc1 183864 KOESYZMZZLNARK-UHFFFAOYSA-N 327.771 4.259 0 50 EIAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 240730 AIGKNZVPDLBPRX-UHFFFAOYSA-N 335.734 4.160 0 50 EIAA CC[C@@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccccc1 471130 LHARHZCZERPTRQ-CYBMUJFWSA-N 327.453 4.024 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(OC)cc2s1 617991 DUUDRJFXWBHQOK-HNNXBMFYSA-N 342.420 4.101 0 50 EIAA Cc1ccc(-c2cc(C(=O)O)n(-c3ccc(F)c(Cl)c3)n2)cc1 732373 RRFLWZIATTXXTA-UHFFFAOYSA-N 330.746 4.338 0 50 EIAA O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccco1 1886716 RIHXYSMDEFEDPP-UHFFFAOYSA-N 328.195 4.062 0 50 EIAA O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccn1 2434398 ZPWYTGYTGKRUPY-UHFFFAOYSA-N 345.424 4.075 0 50 EIAA O=c1oc(-c2cccc(Br)c2)nc2cc(Cl)ccc12 2876692 MBQAJJKSHUMHHH-UHFFFAOYSA-N 336.572 4.271 0 50 EIAA CC(=O)c1c(C)n(CC(=O)N2CCCc3ccccc32)c2ccccc12 2877769 CHOHCEITGWKYRK-UHFFFAOYSA-N 346.430 4.132 0 50 EIAA CCOc1cccc(OCCOCCOc2cc(C)ccc2C)c1 2983547 DTFRECHAXPLEPA-UHFFFAOYSA-N 330.424 4.177 0 50 EIAA OC(c1ccccc1)(c1ccccc1)c1ccnn1-c1ccccc1 5093628 DJPDXNKBLLAZIV-UHFFFAOYSA-N 326.399 4.157 0 50 EIAA COc1ccccc1CNC(=O)c1ccccc1Oc1ccccc1 5460280 OVGACPKUUQQBHM-UHFFFAOYSA-N 333.387 4.418 0 50 EIAA COc1c(C)cc(C(=O)[C@H]2CCCN(C3CCSCC3)C2)cc1C 11753561 GZSABPQTELBHGH-INIZCTEOSA-N 347.524 4.102 0 50 EIAA COc1cc(C(=O)O)ccc1OCc1ccc(Cl)c(Cl)c1 11945110 GGXSVUIRHBNBFW-UHFFFAOYSA-N 327.163 4.279 0 50 EIAA CCn1cc(CN2Cc3ccccc3O[C@@H](c3ccccc3)C2)c(C)n1 14993315 FCZFQXHWQOBTHG-JOCHJYFZSA-N 347.462 4.347 0 50 EIAA COc1ccc(C[C@H](C)NCc2ccc(Br)cc2)cc1 35335378 IEUBBLOCLWLOKT-ZDUSSCGKSA-N 334.257 4.179 0 50 EIAA O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@@H]32)cc1 35360521 VUIVNIRTYXJXCX-COXVUDFISA-N 329.783 4.283 0 50 EIAA CC(C)c1nc(CN(C)Cc2ccc3cccc(Cl)c3n2)no1 77339642 QGWHUPCNZCNCMF-UHFFFAOYSA-N 330.819 4.027 0 50 EIAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCCCCc3ccccn3)c2c1 91504703 BEKHVKADSNEQOW-UHFFFAOYSA-N 349.478 4.170 0 50 EIAA Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c1 95385262 ZWRDZUCKWSSZIA-QGZVFWFLSA-N 325.456 4.101 0 50 EIAA Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2)c(Cl)c1 155025528 QULKRULVYGGVKH-UHFFFAOYSA-N 347.752 4.365 0 50 EIAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2c2cccs2)cn1 189647200 WLXYWCXKZFCQPY-IUODEOHRSA-N 330.457 4.285 0 50 EIAA c1ccc([C@@H]2OCC[C@H]2CNC2CCN(C3CCCCC3)CC2)cc1 191852969 GNASTVXSULYUEZ-UGKGYDQZSA-N 342.527 4.151 0 50 EIAA Cc1nc(Cc2ccccc2)sc1C(=O)OCCCCC(C)(C)O 241231060 KRQUSKFRCFQFTR-UHFFFAOYSA-N 347.480 4.140 0 50 EIAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1Sc1ccccc1 245253754 MZOGGJRUPLRDAB-YXUGBTPSSA-N 347.439 4.149 0 50 EIAA c1ccc(Oc2ccc(-c3noc([C@@H]4CC45CCOCC5)n3)cn2)cc1 252480700 CDPSIVUVOLYRIJ-INIZCTEOSA-N 349.390 4.208 0 50 EIAA Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)c2)cs1 252670813 LSXSSVCSNNMGSR-KCQAQPDRSA-N 329.469 4.145 0 50 EIAA Fc1c(F)c(I)c(Cl)c(F)c1Cl 263623885 LPEUQNJEWVWHDS-UHFFFAOYSA-N 326.870 4.015 0 50 EIAA COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3cc[nH]c3n2)cc1 329265177 FEGXJMDIICCGTN-IBGZPJMESA-N 349.434 4.329 0 50 EIAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CC[C@H](n2cc(Cl)cn2)C1 377817408 SQKBQCZYFANGKB-AWEZNQCLSA-N 348.809 4.032 0 50 EIAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccc(-c4ccccn4)cc3)C[C@H]2C1 1704344988 SHDLTOIVZPONPC-COPRSSIGSA-N 349.522 4.299 0 50 EIAA CC[C@@H]1CCc2sc(C(=O)N3CC[C@H](c4ccccn4)C3)cc2C1 2325738153 VDPQDGAVYSTUJH-CABCVRRESA-N 340.492 4.288 0 50 EIAA CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(Cc2ccccn2)n1 2332237414 BXHBNQQXGDMURY-UHFFFAOYSA-N 349.438 4.268 0 50 EIAA CCc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 129362 FRJANWSNUYTMBG-UHFFFAOYSA-N 334.213 4.029 0 50 EIAA CCOc1ccc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 147180 CFZKPGOLTWHSQN-UHFFFAOYSA-N 349.814 4.073 0 50 EIAA COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 302224 GNVMZKDWEZYNCI-JTQLQIEISA-N 340.206 4.408 0 50 EIAA COc1ccc2c(Cl)c(C(=O)N3CCCC3)sc2c1Cl 312750 RGXSCEVYDZTZKJ-UHFFFAOYSA-N 330.236 4.453 0 50 EIAA Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1C 482321 FJPNEBRDRKXQIN-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA CCc1ccc(OCC(=O)c2ccc(O)cc2O)c(C(C)(C)C)c1 1792416 BOVKJFXWZNMQGL-UHFFFAOYSA-N 328.408 4.219 0 50 EIAA O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)[C@@H]1CCCO1 2879498 GTVDSOSBNNLNHW-INIZCTEOSA-N 342.782 4.266 0 50 EIAA CCCn1cc([C@H]2CC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 2884725 SKXUDWGRSSYDLH-GOSISDBHSA-N 346.430 4.407 0 50 EIAA CC(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 4841550 OWIXZFANNSTTHA-GFCCVEGCSA-N 346.814 4.013 0 50 EIAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1 5800112 QNLYWGYEWJQRBR-CVEARBPZSA-N 336.391 4.036 0 50 EIAA O=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1 13517273 GTMDLXPVEQZQLA-DHDCSXOGSA-N 345.807 4.243 0 50 EIAA COc1cc(NC(=O)c2ccco2)ccc1NC(=O)C1CCCCC1 16527395 VUBQFBXNXJNMRG-UHFFFAOYSA-N 342.395 4.059 0 50 EIAA C[C@@H](CO)CN(Cc1ccccc1)Cc1c(Cl)cncc1Cl 55131376 BKKFUAHCNZHVTP-CYBMUJFWSA-N 339.266 4.019 0 50 EIAA FC(F)(F)C[C@](Cl)(Br)C(F)(F)Br 71790206 ZAHDQTLNNTTYBI-UWTATZPHSA-N 340.311 4.257 0 50 EIAA Oc1ccc(-c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)cc1 72164719 NJPIYXIXHQQKQP-UHFFFAOYSA-N 347.349 4.234 0 50 EIAA COc1ccc(-c2nsc(NC(=O)c3csc(C)c3C)n2)cc1 180123350 FBHNWMOZHIPHBW-UHFFFAOYSA-N 345.449 4.144 0 50 EIAA CCCN(Cc1sc(C)nc1C(F)(F)F)C[C@H]1CCCCO1 183611526 XWKAMMOLKBVQBZ-GFCCVEGCSA-N 336.423 4.251 0 50 EIAA CC(C)(C(=O)Nc1ccsc1Cl)c1ccc2c(c1)OCCO2 186963615 WQMRVHRZUAWWRJ-UHFFFAOYSA-N 337.828 4.089 0 50 EIAA CC1(C)CCCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 187285032 KAYVWYYOHLMHND-UHFFFAOYSA-N 331.419 4.311 0 50 EIAA NCc1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)co1 187289975 RYBMUEAOZZLHJL-FQEVSTJZSA-N 346.386 4.004 0 50 EIAA Cc1c(NC(=O)CCc2ccccc2C(=O)O)sc2c1CCCC2 262159701 KKABQCFENHFGQI-UHFFFAOYSA-N 343.448 4.205 0 50 EIAA OCC[C@@H](N[C@H]1CCCOc2cc3c(cc21)CCCC3)c1ccco1 376881870 KBOSVJXWVYBVSQ-RBUKOAKNSA-N 341.451 4.085 0 50 EIAA CC(C)n1ncc2cc(CN(C)Cc3ccc4cc[nH]c4c3)cnc21 877769204 AIQIEKLPXXGSHF-UHFFFAOYSA-N 333.439 4.126 0 50 EIAA O[C@H](c1nc(C2(c3ccncc3)CCC2)no1)C1CCCCCCC1 904102037 GIXYIZZMNSGDOK-KRWDZBQOSA-N 341.455 4.329 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)c2ccc(-c3cnco3)cc2)c(C)s1 952969705 GQXPBFUFJISBLK-LLVKDONJSA-N 341.436 4.248 0 50 EIAA CCN(CC)C(=O)c1cccc(-c2nc(C)nc3ccsc23)c1 1240048229 GCGLVFPNYOFEJV-UHFFFAOYSA-N 325.437 4.149 0 50 EIAA Cc1noc(C)c1Cn1ccnc1-c1cccc(CC(F)(F)F)c1 1857678867 BQJYPORAHTXFNC-UHFFFAOYSA-N 335.329 4.308 0 50 EIAA CCNc1nccnc1N1Cc2ccccc2[C@H](c2ccccc2)C1 1875342065 WAZNFQDFBWASMX-IBGZPJMESA-N 330.435 4.061 0 50 EIAA Cc1cc(F)cc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)c1 1875343108 QIFABLNGWYZNIM-UHFFFAOYSA-N 346.365 4.325 0 50 EIAA O=c1cnc(Br)cn1Cc1ccc(C2CCCCC2)cc1 2325864463 PJYZZLUKLRVZTF-UHFFFAOYSA-N 347.256 4.102 0 50 EIAA Cc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 333338 DELAWIHBMPRLAU-UHFFFAOYSA-N 347.237 4.180 0 50 EIAA C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cccc(Cl)c1 611994 LWTQFQXTPGCSHD-SNVBAGLBSA-N 331.828 4.336 0 50 EIAA O=C(Cc1ccccc1)Nc1nnc(CSc2ccccc2)s1 618169 PSBJXWPJBOHGQS-UHFFFAOYSA-N 341.461 4.012 0 50 EIAA COc1cc(C)ccc1S(=O)(=O)Oc1cc(Cl)ccc1Cl 2835212 ZDEINQLVMRKXRQ-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)s1 4750180 DZEZYWHJXDMNDQ-UHFFFAOYSA-N 348.855 4.280 0 50 EIAA Cc1ccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)cc1 18086607 CCGQLCQNDIVZCC-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA FC(F)(F)c1ccc(-c2noc(CCCN3CCCCC3)n2)cc1 20455593 WOEPEEHHLLXOPK-UHFFFAOYSA-N 339.361 4.174 0 50 EIAA Fc1ccc(F)c(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c1 22876377 RBMDUBBCLOBBET-WOJBJXKFSA-N 334.454 4.194 0 50 EIAA CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccccc2Cl)on1 33270078 WUCFJJCUJTVIEH-MRXNPFEDSA-N 332.831 4.358 0 50 EIAA OCc1ccc(Cn2cnc(-c3ccccc3)c2-c2ccncc2)cc1 65536438 FQAMPHGAZNCMCU-UHFFFAOYSA-N 341.414 4.153 0 50 EIAA CN(Cc1ccc(-n2ccnc2)cc1)Cc1cccc2cnccc12 67784954 RGXYXUIGHCIZLW-UHFFFAOYSA-N 328.419 4.053 0 50 EIAA CC1=C(Cc2cn([C@H](C)c3nncn3C(C)C)nn2)C(C)(C)CCC1 67816972 DQYVPEOAKPGWNI-OAHLLOKOSA-N 342.491 4.129 0 50 EIAA Oc1cccc(-c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)c1 72142111 QOTYMVLZZXKVRY-UHFFFAOYSA-N 347.349 4.234 0 50 EIAA CC(C)c1noc([C@@H]2CCCN2Cc2cncn2C2CCCCC2)n1 77285634 IODCLVHHPUABOC-KRWDZBQOSA-N 343.475 4.232 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N[C@H](CC)c3nc(C)c[nH]3)c2c1 77504982 IBXOLEANPQJQQK-QGZVFWFLSA-N 336.439 4.018 0 50 EIAA COCCC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2C)C1 95354155 FNAAWIQDBRMKPO-AWEZNQCLSA-N 343.389 4.293 0 50 EIAA COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ccccc3C)n(C)c2c1 97505637 CXQGSTCPBPAMEO-LJQANCHMSA-N 348.446 4.473 0 50 EIAA Cc1cccc(C[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 100561288 MFZPHGWZLSLFLL-ZDUSSCGKSA-N 348.229 4.424 0 50 EIAA NCc1ccc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)cc1 154454215 OPBKZTHYVYWOOP-UHFFFAOYSA-N 348.450 4.253 0 50 EIAA O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1)c1ccccc1 170623667 JBMRWXPNUOHHQS-UHFFFAOYSA-N 349.337 4.476 0 50 EIAA CCOc1ccc2c(c1)[C@H](NCc1nc(-c3ccccc3)c[nH]1)CCO2 194423388 JTEKPMLVCMGOBN-GOSISDBHSA-N 349.434 4.089 0 50 EIAA Cc1[nH]c2c(CN(C)Cc3cc(-c4cccnc4)no3)cccc2c1C 216394760 BXZPLIBJAVCXMW-UHFFFAOYSA-N 346.434 4.467 0 50 EIAA Cc1cccc(C)c1NC(=O)N(C)CCCOCc1ccccc1 242001089 VCWXWKSOBMYNAR-UHFFFAOYSA-N 326.440 4.374 0 50 EIAA COc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)C(C)C)cc1)C2 888093955 OBTCTAHTIMNKFF-UHFFFAOYSA-N 338.407 4.082 0 50 EIAA CC(=O)c1ccc(NCC[C@@H]2CCCCN2Cc2ccccc2)nc1 952989562 WFXUJYUCYKBYCZ-FQEVSTJZSA-N 337.467 4.141 0 50 EIAA O=C([C@@H]1CCNC12CCCC2)N1CC[C@H](c2cccc3ccccc23)C1 2325870385 VMWXYTSKHFSKBA-RXVVDRJESA-N 348.490 4.078 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccccc2Br)cc1C 303270 ZTHQAQBCTFJWGU-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA COc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(F)cc1 304950 VOMFICHRSAVFTJ-UHFFFAOYSA-N 345.439 4.185 0 50 EIAA Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 342090 RLFBOLRDTDPNOJ-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 442164 OXTSDYLFAQJSSL-NYYWCZLTSA-N 337.297 4.246 0 50 EIAA COC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 610079 JOOTVQWLGUFWKO-NSHDSACASA-N 349.839 4.246 0 50 EIAA C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 3783617 LVVHEFJXPXAUDD-BULFRSBZSA-N 345.527 4.323 0 50 EIAA in-vivo Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)C[C@H]2C)cc1 6714354 WHWUYWZTOTZVFY-CQSZACIVSA-N 345.393 4.016 0 50 EIAA C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(C(C)(C)C)cc1 10111910 LURAPBBGKUNDAO-KUHUBIRLSA-N 339.435 4.001 0 50 EIAA CCc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 19359637 WYKLMLBMHDEGJT-UHFFFAOYSA-N 333.479 4.048 0 50 EIAA Brc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1 19376167 HPHJFDGJKPJDGN-MRXNPFEDSA-N 327.225 4.166 0 50 EIAA biogenic CC[C@@H](C)[C@@H](c1nc(C(C)(C)C)no1)N1Cc2ccccc2C1=O 19794383 UHEVAIAAMLCHAK-DOMZBBRYSA-N 327.428 4.110 0 50 EIAA Cc1cc2cc(CNC[C@@]3(c4cccc(F)c4)CCOC3)ccc2[nH]1 20997863 NPWZAWNPIMGBGP-NRFANRHFSA-N 338.426 4.063 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)ccc1Cl 95511714 QDMFITRTDZLKAN-MRXNPFEDSA-N 345.874 4.446 0 50 EIAA Fc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100644943 GHHSBIVITWSINB-MRXNPFEDSA-N 326.762 4.127 0 50 EIAA CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 120885040 PBFIIQNKTHMLBE-HIFRSBDPSA-N 339.439 4.070 0 50 EIAA C[C@H](NC(=O)c1cccc2cc[nH]c12)c1nc(C2CCCCC2)no1 173223606 TXICJQBRTBGPTI-LBPRGKRZSA-N 338.411 4.090 0 50 EIAA COCCCCC(=O)N1CCC[C@@]2(CCCCc3ccccc32)C1 360698465 LMPUJYQESSZXHZ-NRFANRHFSA-N 329.484 4.090 0 50 EIAA C[C@H]1CCN(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccn2)C1 408513138 NFQNNNOMBYWWPJ-LBPRGKRZSA-N 349.356 4.199 0 50 EIAA CC[C@@H]1C=CCN1C(=O)c1ccc(-c2cc(F)c(OC)c(F)c2)cc1 426497188 ITGROOPOARYXLD-MRXNPFEDSA-N 343.373 4.431 0 50 EIAA CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1cc(O)cc(F)c1)CCO2 926208847 BEBIRDNZPXJOTO-KPZWWZAWSA-N 331.387 4.104 0 50 EIAA C[C@H](NC(=O)C1CCN(CC2CC2)CC1)c1cccc2ccccc12 1875261844 XGUGBRQSCYKJGX-INIZCTEOSA-N 336.479 4.139 0 50 EIAA C[C@@H](CC1CCCCC1)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 1875357330 BSEYGDSYMHPGII-ZDUSSCGKSA-N 331.456 4.194 0 50 EIAA COc1ccc(-c2cccc(-c3nccn3C[C@H](C)OC)c2)cc1F 2356153812 VZQPLWDKPGCSMW-AWEZNQCLSA-N 340.398 4.400 0 50 EIAA CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 21406 MEHHCBRCXIDGKZ-UHFFFAOYSA-N 338.359 4.086 0 50 EIAA biogenic,in-vivo CCSc1nnc2c(n1)O[C@@H](c1cccs1)Nc1ccccc1-2 197584 HIGDTZJREZTXSH-AWEZNQCLSA-N 342.449 4.215 0 50 EIAA CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 303675 BNVLFOYMODMEPH-UHFFFAOYSA-N 344.842 4.050 0 50 EIAA COc1ccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2C)cc1 452733 DGVYQOPTGWTJJW-UHFFFAOYSA-N 348.354 4.396 0 50 EIAA biogenic C[C@@H]1CN(C(=S)c2cccc(Oc3ccccc3)c2)C[C@@H](C)O1 521791 LGGSQRDRCNFPEL-HUUCEWRRSA-N 327.449 4.264 0 50 EIAA COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)C(C)C 556322 SKCICDWRZLNWSJ-UHFFFAOYSA-N 346.814 4.195 0 50 EIAA Cc1cc(C)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 615859 VMXUXUGIQGMNBO-UHFFFAOYSA-N 342.870 4.228 0 50 EIAA CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCCCC1 1055187 DBIAHYROHIOCPR-UHFFFAOYSA-N 346.452 4.090 0 50 EIAA Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)cs1 1055426 MBILNBCBYUIXFV-UHFFFAOYSA-N 332.169 4.350 0 50 EIAA CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 3607375 FWIHQEHBPKZJHA-ZDUSSCGKSA-N 331.799 4.257 0 50 EIAA Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1C 4314912 OYTKJMCGULBSBG-UHFFFAOYSA-N 333.435 4.200 0 50 EIAA CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 10287308 CAMUXIGPJVSTFG-ZDUSSCGKSA-N 326.396 4.075 0 50 EIAA C[C@H](Cc1cc(C(=O)NC2(c3ccccc3)CC2)on1)c1ccccc1 14992289 VGLWTWLOXJFXCI-MRXNPFEDSA-N 346.430 4.440 0 50 EIAA c1cc(OC2CCCC2)ccc1CN1CCC[C@@H](N2CCCC2)C1 19787862 JWEOVNMKXJXZKD-LJQANCHMSA-N 328.500 4.068 0 50 EIAA CCOC(=O)[C@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1 23634749 YPASYGZUCOLYIW-AWEZNQCLSA-N 344.480 4.045 0 50 EIAA CC(C)n1ccnc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72149580 GUZLZDLTFUPORS-UHFFFAOYSA-N 332.411 4.014 0 50 EIAA CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 91620859 DBAUVXCWBQTZMD-CQSZACIVSA-N 346.862 4.276 0 50 EIAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2csc(N(C)C)n2)C1 91769284 GGQNLSBZMPDDIP-GOSISDBHSA-N 335.517 4.084 0 50 EIAA Cc1nc(C)c(C(=O)NC[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)o1 156616762 KLDKNKWNIQNGHI-GWCFXTLKSA-N 339.222 4.132 0 50 EIAA Cn1c(=O)c(/C=C/c2ccc(Cl)c(Cl)c2)nc2ccccc21 170612656 OMOLKYOONCUDOK-VQHVLOKHSA-N 331.202 4.411 0 50 EIAA Cc1ccccc1[C@H](C)CNC(=O)c1cc(-c2cccs2)on1 227155291 FVRLPBDHCCRLBL-CYBMUJFWSA-N 326.421 4.245 0 50 EIAA O=C(O)c1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1 263480842 ANCXUIJFZDQHMS-UHFFFAOYSA-N 343.810 4.058 0 50 EIAA CC[C@H](c1cccnc1)N(C)C(=O)Nc1cc(C)nn1C1CCCC1 299761820 YMNKXRZKVZJIDT-QGZVFWFLSA-N 341.459 4.317 0 50 EIAA O=C(c1cccs1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 371426484 XROLYWDDEHITGE-GFCCVEGCSA-N 340.370 4.225 0 50 EIAA Cc1cc(Br)oc1C(=O)Nc1cccc(-c2cnco2)c1 377173359 IVSNIDKCFUGPLM-UHFFFAOYSA-N 347.168 4.258 0 50 EIAA COc1cc(NC(=O)c2cc(C)oc2C)ccc1NC(=O)CC(C)C 824596788 YBCSCRPPUKQSJW-UHFFFAOYSA-N 344.411 4.142 0 50 EIAA Cc1ccc2c(C)cc(N[C@@H]3COC[C@H]3Cc3ccncc3)nc2c1C 1704298242 IJEFYLQASIJQQQ-UYAOXDASSA-N 347.462 4.225 0 50 EIAA CC(C)Cc1ccc(CN2CCC(c3ccnc(O)c3)CC2)s1 1772809607 YPEGXIUFKOJLHS-UHFFFAOYSA-N 330.497 4.427 0 50 EIAA Cc1cc(C(F)(F)F)ccc1NC(=O)NCCc1scnc1C 1875265770 YWLKRPLWDNWLES-UHFFFAOYSA-N 343.374 4.143 0 50 EIAA C=CC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 1875383790 DZELAGUPZLFERW-HNNXBMFYSA-N 340.732 4.145 0 50 EIAA Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 145411 LAYALERPAFCWPK-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 250155 MDJJZAXKYICMIN-LLVKDONJSA-N 331.437 4.118 0 50 EIAA COc1ccc(-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1 464860 ROHSXYKNRZDETL-UHFFFAOYSA-N 347.370 4.313 0 50 EIAA Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 2125313 MXMUCBOWNHPSIX-UHFFFAOYSA-N 338.864 4.003 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(Cl)c1 2823473 PXMXXHNOUDTDJV-UHFFFAOYSA-N 330.815 4.495 0 50 EIAA COc1cc(C)ccc1OCCOCCOc1ccc(Cl)cc1 4702063 QHOYEDIMHYMPEA-UHFFFAOYSA-N 336.815 4.131 0 50 EIAA O=C(COc1ccc(Cl)cc1)c1ccc(Br)cc1 4776278 APRUEVWBRFNKAI-UHFFFAOYSA-N 325.589 4.364 0 50 EIAA CCOc1cc(CNCc2ccccn2)ccc1OCc1ccccc1 4935190 FWCGEZGDTJLLJS-UHFFFAOYSA-N 348.446 4.349 0 50 EIAA Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C(C)C)c(=O)[nH]c12 9010406 IKOUNWQCSKMNSP-UHFFFAOYSA-N 348.446 4.021 0 50 EIAA Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 22606240 QOENBVUFYRDFKB-LLVKDONJSA-N 341.411 4.144 0 50 EIAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cc(C)ccc1OC 33270653 YXQGPIRDOKNERF-HNNXBMFYSA-N 343.427 4.231 0 50 EIAA Cc1ccc(N[C@@](C)(C(=O)NCc2ccncc2)c2ccccc2)cc1 55212033 CEJFHCQLYOLHLB-JOCHJYFZSA-N 345.446 4.034 0 50 EIAA CC(C)Nc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 67754349 GOHXTJANVPDENJ-SFHVURJKSA-N 337.467 4.312 0 50 EIAA COc1cc2c(cc1-c1nccn1Cc1nc3ccccc3o1)CCC2 71498034 GSMHSZAOSBEVAJ-UHFFFAOYSA-N 345.402 4.237 0 50 EIAA Cc1c(O)cccc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71746181 ZGBOXXQJXIETAS-QGZVFWFLSA-N 341.426 4.325 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)no1 71759814 SFGCFPPSAPRERC-INIZCTEOSA-N 344.430 4.422 0 50 EIAA Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@@H](O)C2)c1 72480984 LGRFNPSVXWLGEP-OAQYLSRUSA-N 346.474 4.475 0 50 EIAA CSc1ccccc1C(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 85534025 HKNDVCYLHFZOAF-INIZCTEOSA-N 340.492 4.007 0 50 EIAA O=C1Nc2ccccc2/C1=C/NCC(c1ccccc1)c1ccccc1 100523230 PRHZAVSESKVCCV-PGMHBOJBSA-N 340.426 4.401 0 50 EIAA CC(=O)Nc1ccc(N[C@@H](c2ccccc2)c2ncc[nH]2)c(Cl)c1 129607320 JXCXTXRXADCZNR-KRWDZBQOSA-N 340.814 4.223 0 50 EIAA Cn1c(NC(=O)c2cncc(-c3ccccc3)c2)nc2cc(F)ccc21 133691536 AFMICBSOPLNPRD-UHFFFAOYSA-N 346.365 4.027 0 50 EIAA CC(C)N(Cc1cnc(C2OCCO2)s1)[C@H](C)c1ccccc1 292882773 XZZDXUFDCYHYRA-CQSZACIVSA-N 332.469 4.160 0 50 EIAA CCC(CC)(C(=O)N1CC(C2CCC2)C1)c1ccc(OC)c(OC)c1 952962066 YXNFHVQNHIHOOL-UHFFFAOYSA-N 345.483 4.020 0 50 EIAA COC[C@@H](c1ccccn1)N(C)Cc1cc(F)ccc1C(F)(F)F 1506407939 LOLSWYOEVZHBHB-INIZCTEOSA-N 342.336 4.059 0 50 EIAA Fc1cccc(F)c1-c1nccn1C[C@@H]1CCCN2CCCC[C@H]12 1857687168 PJSCISUMNJBMMK-WMLDXEAASA-N 331.410 4.093 0 50 EIAA CN1CCC[C@@H](n2ccnc2-c2ccccc2OC2CCCC2)C1 1857708802 NXZBWSGWLIOASM-MRXNPFEDSA-N 325.456 4.138 0 50 EIAA Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc3c(=O)ccoc3c2)c1 2325701030 VWLZCWRQXUUFPE-OAHLLOKOSA-N 335.403 4.243 0 50 EIAA CCCC(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C 201034 XUBPYAJRGUTUJR-UHFFFAOYSA-N 349.478 4.160 0 50 EIAA CC(=O)c1ccc(N2CCN(C[C@H](C)CCC=C(C)C)CC2)cc1 216306 LEMKHULUOQCJCB-GOSISDBHSA-N 328.500 4.394 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 252741 AESRKWUVCJXRRL-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA COc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2)cc1 262067 XKODNPXLQQBINQ-NYYWCZLTSA-N 333.181 4.077 0 50 EIAA biogenic Nc1nccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 1383799 LAMKPYKCCSEZKX-UHFFFAOYSA-N 329.762 4.097 0 50 EIAA COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2SC)c1 2877270 BYIPQVLZKGFXQE-UHFFFAOYSA-N 335.812 4.101 0 50 EIAA CC(C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 8971459 HRKUGDRGFCGVFI-UHFFFAOYSA-N 326.421 4.437 0 50 EIAA O=C(Nc1ccc(C(=O)Nc2ccccc2F)cc1)c1ccccc1 10461533 CVFLYIHNQZBTCX-UHFFFAOYSA-N 334.350 4.330 0 50 EIAA COc1ccc(N[C@H]2CCCN(C(=O)C3(C)CCCCC3)C2)cc1 11937094 JNPKOHLNIZJFBY-KRWDZBQOSA-N 330.472 4.069 0 50 EIAA Cc1c([C@H](C)NC2CCSCC2)cnn1-c1ccc(F)cc1F 12026748 YPXMQRXZKRNLBC-NSHDSACASA-N 337.439 4.005 0 50 EIAA CCCCOc1ccccc1NC(=O)c1ccc(OCCOC)cc1 12137930 XOUYYZZNGLTZLM-UHFFFAOYSA-N 343.423 4.143 0 50 EIAA CC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)c1 12710429 HLORNTWUWPMJKN-GOSISDBHSA-N 341.476 4.354 0 50 EIAA CCc1cc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2s1 17070818 ZPBGVKNZYOPKDN-UHFFFAOYSA-N 336.869 4.385 0 50 EIAA CCN(Cc1ccncc1)[C@H]1CCCN(Cc2ccc(Cl)s2)C1 22912987 QPSKFCOVMSTLNG-INIZCTEOSA-N 349.931 4.283 0 50 EIAA Brc1ccc(-c2cnn3c(-c4ccco4)ccnc23)cc1 71375484 CQTOHQPRXCLUPZ-UHFFFAOYSA-N 340.180 4.419 0 50 EIAA Fc1ccc(-c2[nH]ncc2CN2CCc3[nH]c4ccccc4c3C2)cc1 77505133 JHDMXZQXZUMTCJ-UHFFFAOYSA-N 346.409 4.255 0 50 EIAA COc1ccccc1Oc1ccc(NC(=O)c2ccncc2F)cc1 78075309 WCIGNEPAKPOACU-UHFFFAOYSA-N 338.338 4.274 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N1CC[C@H](c2ccccc2Cl)C1 91693556 HRFSBWFWADYSGE-AWEZNQCLSA-N 345.874 4.310 0 50 EIAA Cc1cc(F)ccc1-c1nc(CCn2c(C)nc3ccccc32)no1 170595970 CWCRIXXGXJQJEQ-UHFFFAOYSA-N 336.370 4.085 0 50 EIAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 189647217 WLXYWCXKZFCQPY-WFASDCNBSA-N 330.457 4.285 0 50 EIAA COc1cc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)ccc1OC(F)F 252444293 SWRBZYJWFWQSBW-OLMNGRFOSA-N 337.410 4.211 0 50 EIAA CC(C)C[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)n1cccc1 253413163 TZPFWTCUOSCOLC-MRXNPFEDSA-N 340.452 4.233 0 50 EIAA Cc1ncsc1CN(C)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 253429138 PHAXPMIMKBFZEC-GDBMZVCRSA-N 347.459 4.068 0 50 EIAA COCOCCCC1=C[C@@]2(C)[C@@H](O[C@H]3CCCCO3)C[C@H]1C2(C)C 257355779 CQTREKVZRJXWPL-LXZJYRNTSA-N 338.488 4.291 0 50 EIAA CCOc1cccc([C@@H](C)NC(=O)c2c(Cl)cncc2Cl)c1 292870659 XEKHYBFMWBAYGL-SNVBAGLBSA-N 339.222 4.278 0 50 EIAA CCc1cnc(CN(C)c2nc(C(F)F)nc3ccccc23)s1 301452721 AQMCLEPEAUMQRR-UHFFFAOYSA-N 334.395 4.223 0 50 EIAA CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)[nH]1 331550334 INHRXWXTKHSLGF-IBGZPJMESA-N 338.451 4.492 0 50 EIAA Cc1ccc2oc(C(=O)Nc3nc4c(s3)CCC4(C)C)cc2n1 333734369 LMDRIDROUPOAHV-UHFFFAOYSA-N 327.409 4.069 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc2)nn1 426360184 NSFUPXMNRRDBMI-LPHOPBHVSA-N 335.451 4.104 0 50 EIAA CCC[C@H]1CCCN1C(=O)c1ccc(-c2ccc(CCO)cc2)cc1 426490708 ZXEAMJXFDVHRGY-NRFANRHFSA-N 337.463 4.293 0 50 EIAA Cc1cccc(-c2cccc(C(=O)N3CC[C@H](O)CC34CCC4)c2)c1 911198877 RNCXBKHYZKLHNC-FQEVSTJZSA-N 335.447 4.182 0 50 EIAA Cc1c(Cl)cncc1NC(=O)N(Cc1ccccn1)CC(C)C 931580680 UZLJYLVPJMZQCB-UHFFFAOYSA-N 332.835 4.129 0 50 EIAA CCC[C@@H](Nc1ncccc1C(=O)N1CCCC1)c1cccs1 1704280203 UBUFUHVPHWVPLF-OAHLLOKOSA-N 329.469 4.332 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cccc(Cl)c1Cl)C2 1704337903 HPRNNOUTMHTPMU-RHSMWYFYSA-N 342.266 4.415 0 50 EIAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CC[C@@H]1c1ccc(F)cc1 1857740408 HZKBMTHSNZTZLH-QGZVFWFLSA-N 335.382 4.111 0 50 EIAA CC(C)Cc1n[nH]c2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc12 1875340754 QDKDZUZSFUHFOY-UHFFFAOYSA-N 345.446 4.301 0 50 EIAA Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2[nH]1 96710 BOIRCGBYRPDJFB-UHFFFAOYSA-N 331.828 4.256 0 50 EIAA Cc1cccn2cc(-c3cccc(NC(=O)Cc4ccccc4)c3)nc12 203141 YRFWCNHTXPUIIS-UHFFFAOYSA-N 341.414 4.491 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 262253 QOOXVVJHEQYBMQ-UHFFFAOYSA-N 344.370 4.382 0 50 EIAA biogenic O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1 266856 RVHYOXFQWPZBMG-UHFFFAOYSA-N 347.399 4.316 0 50 EIAA CC(=O)C[C@@](O)(c1ccc2c(c1)c1ccccc1n2C)C(F)(F)F 554203 MSGSUQDUDXCKAI-QGZVFWFLSA-N 335.325 4.061 0 50 EIAA COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@@]2(C)C1=CC[C@H]2OC(C)=O 1405905 LRTUTQVESNZNCY-RHZWSATBSA-N 340.419 4.292 0 50 EIAA COc1ccc(-c2cc([C@H](O)[C@H]3CCCCN3)c3ccccc3n2)cc1 1608704 PKDJQOGOVQLPPG-IRLDBZIGSA-N 348.446 4.086 0 50 EIAA in-vitro Cc1nn(C)cc1C(CC(=O)c1ccccc1)CC(=O)c1ccccc1 2783920 XFEVPVTYUZLDSX-UHFFFAOYSA-N 346.430 4.358 0 50 EIAA CSc1ccccc1NC(=O)c1cc(-c2ccc(O)cc2)on1 3907791 VHXQRLMSXAIGGX-UHFFFAOYSA-N 326.377 4.021 0 50 EIAA COCc1ccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)o1 15064308 KUOYJJYMNHKRLA-OAHLLOKOSA-N 347.842 4.174 0 50 EIAA Cc1ccc(CNC[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1 20365942 AXYNUDBMBNQRFC-QFIPXVFZSA-N 335.422 4.160 0 50 EIAA Cc1oc(-c2ccsc2)nc1CN(CC1CCC1)C[C@H]1CCCO1 20821407 SXVKJCAAIVUXHO-QGZVFWFLSA-N 346.496 4.493 0 50 EIAA C[C@]12CC=C3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 22001466 MCNZISFQKMPWRJ-ORDMVQLLSA-N 338.447 4.290 0 50 EIAA Fc1ccccc1-c1cn[nH]c1[C@H]1CCCN(Cc2ccco2)C1 23129672 LRUIPOAQDPURNE-AWEZNQCLSA-N 325.387 4.188 0 50 EIAA Cc1cccc(-n2cc(-c3ccnc(NCc4cccs4)n3)cn2)c1 23541174 SIPYTCLLLIRICB-UHFFFAOYSA-N 347.447 4.311 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1OC 36620611 WQUBBHWXUXEOFC-MRXNPFEDSA-N 344.386 4.212 0 50 EIAA c1cc(CN(Cc2ccsc2)C[C@@H]2CCCO2)c2[nH]ccc2c1 55153296 NPTDEIAIILWLEJ-SFHVURJKSA-N 326.465 4.411 0 50 EIAA C[C@@H](c1ccc(C(=O)NCc2cc(F)ccc2F)o1)N1CCCCC1 55255140 RSDKMKMMFSUWJH-ZDUSSCGKSA-N 348.393 4.035 0 50 EIAA CC1=C(C[C@@H]2CC(=O)NCc3nc4sccn4c32)C(C)(C)CCC1 65405399 PBUKFLKOBHUETC-CYBMUJFWSA-N 343.496 4.416 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)c(O)c1 71419476 JOEHMTRLKKWRAJ-INIZCTEOSA-N 341.426 4.325 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)c2ccc(F)cc2n1 82115954 HBMLWTCTAWUWQY-MRXNPFEDSA-N 341.411 4.116 0 50 EIAA CC1(C)CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC[C@]1(C)O 91974238 PDCXODGMMBMUQF-NRFANRHFSA-N 341.426 4.116 0 50 EIAA C[C@H](c1ccccn1)N(C)CCN(C(=O)OC(C)(C)C)C(C)(C)C 225514863 HXMFEOSWDLRNJD-OAHLLOKOSA-N 335.492 4.110 0 50 EIAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]1c1ccc(Cl)cc1 241371254 MLRXYOFCYPMGIW-KSZLIROESA-N 341.838 4.426 0 50 EIAA O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc[nH]c1C1CC1 241587901 OYBJZIKSECXHGN-UHFFFAOYSA-N 346.434 4.344 0 50 EIAA C[C@@H]1CCCC[C@H]1OCCN(Cc1cccs1)C[C@H]1CCCO1 248038928 UJBUNJBNRVMAAW-ZHALLVOQSA-N 337.529 4.324 0 50 EIAA CC1CCN(Cc2ccc(NC(=O)C[C@H](O)CC(C)(C)C)cc2)CC1 253431820 UDYBVQQXIHJJMC-IBGZPJMESA-N 346.515 4.044 0 50 EIAA CC[C@H](NCc1c(C)nc2scc(C3CC3)n12)c1ccncc1 298341246 JGTYFTQBHOKNQE-HNNXBMFYSA-N 326.469 4.218 0 50 EIAA CC(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)c(C)nc1C 362419631 CRMWCLJHCLOSIN-MPBGBICISA-N 336.435 4.269 0 50 EIAA CSc1ccc(CNC(=O)N2CCCC[C@@H]2c2cccnc2)cc1 426465112 GGWZSZVKETZVQP-GOSISDBHSA-N 341.480 4.240 0 50 EIAA CCc1ocnc1C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 523492521 ZXBDLYKTJGQWCL-UHFFFAOYSA-N 338.363 4.290 0 50 EIAA CCOc1ccccc1-c1nnc(SCCCc2cccnc2)o1 916149380 COHSUFBHAGNBCG-UHFFFAOYSA-N 341.436 4.255 0 50 EIAA CC(=O)Nc1ccc(-c2nnc(-c3cc(C)nc4ccccc34)o2)cc1 1322745509 AJCUVXDESAQFFW-UHFFFAOYSA-N 344.374 4.219 0 50 EIAA CCCC[C@H]1CN(C(=O)c2cccc(F)c2F)C[C@@H](C(C)C)O1 1615736118 UNIDYWHGQIRTAI-BBRMVZONSA-N 325.399 4.021 0 50 EIAA COc1cc2c(cc1-c1nccn1C[C@@H]1CC[C@H]3CCC[C@H]31)OCO2 1857715838 KSWGVAFPTVLEBE-QLFBSQMISA-N 340.423 4.114 0 50 EIAA Cn1c(=O)cc(Sc2ncc(-c3ccccc3)[nH]2)c2ccccc21 2325821282 BBYASOQSEYTFKX-UHFFFAOYSA-N 333.416 4.080 0 50 EIAA COC(=O)N[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 404179 XKZUAVPCBIFLIB-FQEVSTJZSA-N 347.414 4.020 0 50 EIAA O=C(Nc1ccc2c(c1)OCCO2)C(c1ccccc1)c1ccccc1 439202 DSXJMOVDODYWOY-UHFFFAOYSA-N 345.398 4.228 0 50 EIAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCc2ccccc2)c1C 575912 WSASNOMINZAQBK-UHFFFAOYSA-N 331.481 4.079 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(C)c1 4843319 BIIYNEKCHWUEJT-UHFFFAOYSA-N 336.395 4.099 0 50 EIAA O=C(O)[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 4844824 FODAYZOULDVYKJ-NXEZZACHSA-N 348.613 4.165 0 50 EIAA COC(=O)c1sccc1Oc1ccc(NC(=O)C(C)(C)C)cc1 8887755 KBKPVQWPRJDHFT-UHFFFAOYSA-N 333.409 4.312 0 50 EIAA C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1cccc2ccccc12 11771550 DLTIELLVAGRZLT-HNNXBMFYSA-N 348.450 4.428 0 50 EIAA c1ccc(Cc2noc(CN(Cc3ccccc3)CC3CC3)n2)cc1 12585350 NWQYDCWWEPNDLZ-UHFFFAOYSA-N 333.435 4.073 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)Cc1noc(-c2ccccc2F)n1 16577809 ZEZOQMRZUBKLBE-UHFFFAOYSA-N 345.761 4.019 0 50 EIAA COc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1OC 16662664 ZJIUFYJJNHXLNQ-UHFFFAOYSA-N 327.399 4.132 0 50 EIAA Cc1ccc(-c2[nH]c([C@H]3CC(=O)N(C4CCCC4)C3)nc2C)cc1C 19225717 JOOLIKCRRFDCQQ-KRWDZBQOSA-N 337.467 4.260 0 50 EIAA Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 33087331 HVRGIIZBIIRETE-CQSZACIVSA-N 337.782 4.453 0 50 EIAA CC[C@H](C)c1ccccc1OCC(=O)N(Cc1cccnc1)C1CC1 54687238 KROPMNIZSUQADI-INIZCTEOSA-N 338.451 4.165 0 50 EIAA CC(C)c1nc(CN(C)Cc2cccc(Cn3cccn3)c2)cs1 77358040 RVUUESBRBHQPRM-UHFFFAOYSA-N 340.496 4.143 0 50 EIAA COc1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)c1 77519549 QZYGWDBVINGYQW-GOSISDBHSA-N 347.817 4.394 0 50 EIAA CC(C)n1ccnc1C1CCN(C(=O)c2cnc3ccccc3c2)CC1 91321891 TUTBCWRFRGULPT-UHFFFAOYSA-N 348.450 4.032 0 50 EIAA Cc1ccc([C@@H](C)CCN2CCC(Cc3noc(C4CC4)n3)CC2)o1 97570878 WHRFFOWZKQGMFJ-AWEZNQCLSA-N 343.471 4.297 0 50 EIAA COC(=O)c1sc2ccc(Br)cc2c1C(F)(F)F 136073365 ZINISNQPSKGMKN-UHFFFAOYSA-N 339.132 4.469 0 50 EIAA CCc1nnc(CNc2cnn(-c3ccccc3Cl)c2C(C)C)o1 192724856 VBBXESZXSOHWPR-UHFFFAOYSA-N 345.834 4.207 0 50 EIAA Clc1ccc2nccc(N3CC[C@H](OCc4ccncc4)C3)c2c1 192907187 AXKCDIOOULXQDC-INIZCTEOSA-N 339.826 4.079 0 50 EIAA COc1c(OCc2ccccc2)ccc([C@@H](O)NC(C)(C)C)c1Cl 214474550 UTTFFDDKYSSEND-GOSISDBHSA-N 349.858 4.307 0 50 EIAA C[C@H](NC[C@H]1CCCN(C)[C@H]1c1cccs1)c1cncc(F)c1 248149333 QNWGPYRIGBWJJF-PMUMKWKESA-N 333.476 4.016 0 50 EIAA O=C(O)C[C@@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 275279600 KWYSYOABSHMTEH-INIZCTEOSA-N 338.407 4.131 0 50 EIAA C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccn1)[C@H](C)c1ccccc1 434227888 LSYLERSYNKWTNZ-NWDGAFQWSA-N 337.345 4.414 0 50 EIAA CCNC(=O)Cc1ccc(-c2cccc([C@@H](C)N3CCCC3)c2)cc1 534575238 YFJNEOPCEUOZRF-QGZVFWFLSA-N 336.479 4.189 0 50 EIAA C[C@@H](NCc1ccc(C(=O)O)cc1)c1csc(C(F)(F)F)c1 905788388 BKBCJPFPXVTCMC-SECBINFHSA-N 329.343 4.316 0 50 EIAA c1cc2c(cc1-c1ccc3c(c1)CCC1(CCNCC1)O3)CCCN2 1875336891 JIACDTUXJSFGSK-UHFFFAOYSA-N 334.463 4.159 0 50 EIAA CC(C)OC(=O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 999900 RSLXVZIIGDWZGS-UHFFFAOYSA-N 343.448 4.444 0 50 EIAA COc1ccc(-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1 2870610 CJHXUCDYFYHAIN-UHFFFAOYSA-N 345.402 4.389 0 50 EIAA CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nc(C)cs2)cc1 4815832 MEIOKIDEFLNFNP-UHFFFAOYSA-N 331.441 4.079 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cc(C)cc(C)c1 7759915 USPOEOKACGGAFY-UHFFFAOYSA-N 349.434 4.324 0 50 EIAA CCCOC(=O)c1ccc(NC(=S)Nc2cccc(C)c2)cc1 13796414 GVTMKWJDDYXYTH-UHFFFAOYSA-N 328.437 4.371 0 50 EIAA Fc1ccccc1Cc1noc(CCCc2c[nH]c3ccccc23)n1 32541634 NNZGNOGZAOEKKD-UHFFFAOYSA-N 335.382 4.456 0 50 EIAA CCCn1ncc(-c2ccnc(N[C@@H](C)c3cccs3)n2)c1C 48214416 SOYDKDOMLHCWAS-LBPRGKRZSA-N 327.457 4.293 0 50 EIAA Cc1nc(C)c(Cn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)s1 65371276 KJENXDKCURTRPS-MRXNPFEDSA-N 339.464 4.176 0 50 EIAA C[C@H](c1cccs1)N(C)C(=O)c1coc(COc2ccccc2)n1 67919706 XRNLGYTXFZVTTF-CYBMUJFWSA-N 342.420 4.148 0 50 EIAA FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2ncc[nH]2)C1 71388558 ZWAORUUMRQRCMK-CQSZACIVSA-N 337.389 4.273 0 50 EIAA Cc1cc(-n2ccnc2-c2cccnc2)ccc1NC(=O)c1ccco1 77376000 LOAXWALMJLDMTE-UHFFFAOYSA-N 344.374 4.088 0 50 EIAA CC(C)[C@@H]1C=CCN1C(=O)Nc1ccc(OCc2ccccn2)cc1 97657391 ANBJIRNMCTXHTI-IBGZPJMESA-N 337.423 4.089 0 50 EIAA CC(C)(C)OC(=O)N1CCCc2ccc(NCC3=CCCOC3)cc21 132222778 AZBYITDTRVPJPX-UHFFFAOYSA-N 344.455 4.133 0 50 EIAA O=C(N[C@H]1CCOC2(CCCC2)C1)N[C@@H]1CCSc2ccccc21 132984773 NGFSGFVIHZBPBS-GOEBONIOSA-N 346.496 4.015 0 50 EIAA CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)CC1 170602381 XJMHAIDAVBQWPT-HZPDHXFCSA-N 327.472 4.217 0 50 EIAA O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1C(F)(F)F 239667418 BPWMLMWDYULNKD-UHFFFAOYSA-N 348.324 4.306 0 50 EIAA Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 263618332 SKZDAZOQJWNABQ-GOSISDBHSA-N 347.418 4.331 0 50 EIAA C[C@]1(C(=O)NCc2ccc(-c3ccccc3Cl)o2)CCCCO1 299766454 JDRSRDUVSHTVMF-GOSISDBHSA-N 333.815 4.175 0 50 EIAA O=C(CSc1ccccc1)Nc1ccccc1[C@@H](O)C(F)(F)F 408513850 AAIWVXKAHWKEPC-OAHLLOKOSA-N 341.354 4.013 0 50 EIAA Cc1ccc2cc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)[nH]c2c1 668104701 MBAKIMCCSCVCSR-SFHVURJKSA-N 348.494 4.389 0 50 EIAA C[C@@H]1CC[C@H](O)CN1C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 933822749 AQYORPXRDZNDLT-ZBFHGGJFSA-N 349.434 4.212 0 50 EIAA Cc1cc(CN2CCCCC2)cc(C)c1OC[C@H]1CC2CCN1CC2 1857692310 YTNDCUCNMPFFBX-OAQYLSRUSA-N 342.527 4.152 0 50 EIAA CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C 131741 XARJLASQFUDACG-UHFFFAOYSA-N 330.453 4.099 0 50 EIAA Cc1ccc(C)c(OCC(=O)Nc2cccc(Br)c2)c1C 144579 NSVJTKXCUODDDO-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA O=C(CSc1nc2cc(C(F)(F)F)ccc2s1)N1CCCC1 381991 JOFFOCMIDADOSR-UHFFFAOYSA-N 346.399 4.030 0 50 EIAA Cc1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1 2766729 AQRSNXWYNJTEFE-UHFFFAOYSA-N 345.246 4.498 0 50 EIAA CCCCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 3900165 HKXOSQFFMYLOBC-UHFFFAOYSA-N 336.435 4.319 0 50 EIAA biogenic COc1cc(CNCc2ccc(C(F)(F)F)cc2)cc(OC)c1 5512307 QKUCKBUUXZZVEW-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA Cc1ccc(-c2[nH]c([C@@H]3CC(=O)N(C4CCCC4)C3)nc2C)cc1C 19225720 JOOLIKCRRFDCQQ-QGZVFWFLSA-N 337.467 4.260 0 50 EIAA COc1ccccc1CCN[C@H](C)Cc1cccc(C(F)(F)F)c1 23280666 YNWXGDYKFPKTME-CQSZACIVSA-N 337.385 4.477 0 50 EIAA COc1cccc([C@H]2CCCN2C(=O)c2ccccc2SC)c1 77457817 WEDIOQFTBQLVAB-QGZVFWFLSA-N 327.449 4.394 0 50 EIAA Cc1ccc([C@H](C)CCN2CCC(Cc3noc(C4CC4)n3)CC2)o1 97570879 WHRFFOWZKQGMFJ-CQSZACIVSA-N 343.471 4.297 0 50 EIAA Cc1c(C[S@@](C)=O)cccc1NC(=O)c1csc2ccccc12 116691466 ONCXDHSGGPKXIN-QHCPKHFHSA-N 343.473 4.341 0 50 EIAA C[C@@H](CNC(=O)[C@H]1CSc2ccccc21)c1ccc(F)cc1F 174324542 MNZOHXGPNRRYQX-NHYWBVRUSA-N 333.403 4.074 0 50 EIAA Cc1cnc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)s1 185458197 AICQPHZKPNOQEQ-LJQANCHMSA-N 348.475 4.217 0 50 EIAA O=C(c1ccco1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccs1 225781007 DZRZNOJFNMZXHF-OAHLLOKOSA-N 340.379 4.472 0 50 EIAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cccc(F)c1 248244087 KTYVXFQVIQOKJT-OTWHNJEPSA-N 339.410 4.302 0 50 EIAA O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCCCC[C@H]1c1ncon1 248493707 PMWJUPVICPVVIB-NXOAAHMSSA-N 331.460 4.120 0 50 EIAA CCCc1c(NC(=O)[C@H](C)c2cccnc2)cnn1-c1ccccc1C 277057563 JBLIBBKRSMMNPI-MRXNPFEDSA-N 348.450 4.270 0 50 EIAA CCN(C(=O)C[C@H]1CCOC1)[C@H](c1ccccc1)c1ccc(F)cc1 408512945 GRVYLEDUTATSLS-IIBYNOLFSA-N 341.426 4.190 0 50 EIAA Cc1ccc(CNC(=O)N(Cc2sccc2C)C2CC2)cc1F 426503193 ZOPYQLMKYBDNNW-UHFFFAOYSA-N 332.444 4.378 0 50 EIAA COCCCN(C)C(=O)c1ccc(-c2ccc(F)c(Cl)c2)cc1 426503450 SHEOSESEGFILFS-UHFFFAOYSA-N 335.806 4.255 0 50 EIAA CCS(=O)(=O)c1ccc(-c2cccc([C@H](C)N3CCCC3)c2)s1 534636276 GNJORBFMFIHHKW-AWEZNQCLSA-N 349.521 4.366 0 50 EIAA CC(C)(O)Cn1nc(C2CC2)nc1Cc1ccc(-c2ccccc2)cc1 670448697 QLOPLAUYVLQJNB-UHFFFAOYSA-N 347.462 4.184 0 50 EIAA CCCOc1c(Cl)cccc1NC(=O)c1nn(C)c(C)c1Cl 952976665 TYYGCQMSCNJYSV-UHFFFAOYSA-N 342.226 4.076 0 50 EIAA CCC[C@H](C(=O)Nc1ccc(NC(=O)CC)cc1C)n1cccc1 952978654 SLMFSHTWBBNMHV-QGZVFWFLSA-N 327.428 4.125 0 50 EIAA c1ccc(COc2ccccc2Cn2cnc(-c3nccs3)n2)cc1 2325865194 RIMJRSGXAYGGLE-UHFFFAOYSA-N 348.431 4.029 0 50 EIAA CCc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)s2)cc1 2325879642 CBTBJFDHGFWQGQ-UHFFFAOYSA-N 344.461 4.173 0 50 EIAA O=C(Cc1cccs1)Nc1nnc(Cc2ccc(Cl)cc2)s1 74056 TYHBCSQKSXFLDH-UHFFFAOYSA-N 349.868 4.025 0 50 EIAA COc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1OC 1053630 NHESUWFJCXPHOX-UHFFFAOYSA-N 331.437 4.287 0 50 EIAA Cc1cc(Cl)cc(Br)c1OCCCn1ccnc1 4841384 YIBNIEFMCMBLRQ-UHFFFAOYSA-N 329.625 4.077 0 50 EIAA O=C(O)[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 4844823 FODAYZOULDVYKJ-UWVGGRQHSA-N 348.613 4.165 0 50 EIAA Cc1cccc(C)c1OC(=O)CSc1nnc(-c2cccs2)o1 8587388 ZYIJBEIEWBNORC-UHFFFAOYSA-N 346.433 4.113 0 50 EIAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)cc1C 12194731 MWOIKTNQSBQPPZ-LJQANCHMSA-N 344.405 4.298 0 50 EIAA O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@H](Nc2ccccc2)C1 12448549 JXLBKHSUBURBHH-FQEVSTJZSA-N 349.478 4.004 0 50 EIAA Cc1cc(Cl)c(OCCCCn2ccnc2)c(Br)c1 22310127 CMIJOJVARSXIPV-UHFFFAOYSA-N 343.652 4.467 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@@]2(CC[C@H](c3ccc(O)cc3)O2)C1 40449999 DCQWZNDAHMRGIR-VQIMIIECSA-N 333.428 4.013 0 50 EIAA O=C1C[C@H](c2ccncc2F)c2ccc(Oc3ccccc3)cc2N1 65432947 RFCNFQMEGVUWGB-QGZVFWFLSA-N 334.350 4.487 0 50 EIAA c1cc(C2CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)ccn1 65468665 YZXLUSRXQGDWGN-GOSISDBHSA-N 328.481 4.374 0 50 EIAA COc1cccc([C@H]2CCCN2Cc2ccc(-c3cc[nH]n3)s2)c1 72475755 PMNVVXVETCVCGR-GOSISDBHSA-N 339.464 4.484 0 50 EIAA Cc1nc2n(n1)[C@H](c1ccccc1Cl)C=C(c1ccc(F)cc1)N2 100716855 APDZLMQBVSPXOO-KRWDZBQOSA-N 340.789 4.435 0 50 EIAA Cc1ccc(OCCC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c(C)c1 170594668 KZWADBPSBYWHMG-APWZRJJASA-N 338.451 4.077 0 50 EIAA O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@H](N2CCCC2)C1 170627495 VCBHKISVLGILGC-HNNXBMFYSA-N 342.270 4.086 0 50 EIAA CCc1c(NCC(=O)Nc2cccc(C)c2)cnn1C(CC)CC 225389704 PUYFMFKQXYHFKA-UHFFFAOYSA-N 328.460 4.166 0 50 EIAA CSc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1ncc(C)s1 241371430 MNNHFVZKSKKANP-VXGBXAGGSA-N 335.498 4.295 0 50 EIAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 242047799 VQFHJWPPRJYXHH-YHAQOWFVSA-N 348.245 4.371 0 50 EIAA O=C(Cc1ccncc1)Nc1ccc(Oc2ccncc2)c(Cl)c1 355146348 WTMZOKVPLSZHTR-UHFFFAOYSA-N 339.782 4.104 0 50 EIAA Cc1ccc(CN(C(=O)c2ccc(-c3cnccn3)cc2)C2CC2)s1 426526314 WJCNRTBSYWEHAS-UHFFFAOYSA-N 349.459 4.318 0 50 EIAA CN(CCN1CCCC1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1 426535012 BOIIHFWRYPLWOL-UHFFFAOYSA-N 347.462 4.003 0 50 EIAA CCN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)Sc1ccc(C)cc1 823038920 ZCZGPSRKRCCQJY-INIZCTEOSA-N 345.512 4.302 0 50 EIAA O=C(Nc1cccc(CN2CCCC2)c1)c1cc(-c2ccccc2)no1 828231232 LIDDVMOESRSXGY-UHFFFAOYSA-N 347.418 4.190 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)c2cccc(Oc3ccccn3)c2)on1 864883912 FBXQZZWTFWVOSD-KRWDZBQOSA-N 349.390 4.148 0 50 EIAA COc1ccc(-c2onc(N[C@@H](C)C3CCCCC3)c2C(=O)O)cc1 1704309305 QKRWCQHSNUKSCE-LBPRGKRZSA-N 344.411 4.429 0 50 EIAA O=C(O)CCOc1cccc(C=C(Cl)c2nc3ccccc3o2)c1 1857530040 QHENAUMJSHBZHS-UHFFFAOYSA-N 343.766 4.418 0 50 EIAA C[C@H](NCc1cc(C2OCCO2)ccc1F)c1coc2ccccc12 2325774047 YLINGSRFQBZFCA-ZDUSSCGKSA-N 341.382 4.468 0 50 EIAA CCCN1CCC[C@]2(CCCN2Cc2ccc(C(C)C)cc2)C1=O 2356167664 XJTUYFATYHBQMZ-NRFANRHFSA-N 328.500 4.177 0 50 EIAA COc1cc(C)c(/C=C2/N=C(c3ccccc3)OC2=O)cc1C(C)C 32640 LRXOBEAOHKQOMG-LDADJPATSA-N 335.403 4.472 0 50 EIAA COC(=O)Nc1ccc(SCC(=O)c2ccc(Cl)cc2)cc1 48369 CBEIJCVUDUFZLL-UHFFFAOYSA-N 335.812 4.493 0 50 EIAA O=c1oc(-c2ccccc2Cl)nc2ccc(Br)cc12 182057 ACKNAPMIQMNYPS-UHFFFAOYSA-N 336.572 4.271 0 50 EIAA Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12 459362 FVWAAOMTWGZPCD-UHFFFAOYSA-N 345.192 4.443 0 50 EIAA biogenic S=C(NC[C@H]1CCCO1)Nc1ccccc1Sc1ccccc1 1410634 MVHYAAMPLJSLJF-CQSZACIVSA-N 344.505 4.303 0 50 EIAA Cc1cc(Cl)cc(C)c1OCCCn1cnc2ccccc2c1=O 2863220 VUPXVGLDUOPNAZ-UHFFFAOYSA-N 342.826 4.136 0 50 EIAA Brc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1 4942902 ITNPZTLDJCPSBZ-UHFFFAOYSA-N 343.224 4.394 0 50 EIAA FC(F)(F)c1cccc(CCNc2nncc(-c3ccccc3)n2)c1 12073510 FVZCQFDGYRBULT-UHFFFAOYSA-N 344.340 4.212 0 50 EIAA Cc1ccc2oc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c(C)c2c1 19852284 HJIDFIGOTQJNRG-ZDUSSCGKSA-N 333.391 4.417 0 50 EIAA COc1cc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc(OC)c1 36620489 DLDNFCCPEXOJHR-IBGZPJMESA-N 340.423 4.381 0 50 EIAA CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccc(CO)o1 39499940 MWIBYGLUVKLSAV-HXUWFJFHSA-N 338.451 4.399 0 50 EIAA COc1cccc([C@@H]2CCCN2Cc2cccc(Cn3cccn3)c2)c1 72422756 NESKCLXIDZJXQF-QFIPXVFZSA-N 347.462 4.277 0 50 EIAA Cc1ccc2nc(N3CCC(CCn4cccn4)CC3)sc2c1 77408350 LPFPUJRIILLHKV-UHFFFAOYSA-N 326.469 4.108 0 50 EIAA CCCn1cc(C(=O)N(Cc2ccccc2Cl)C2CC2)c(C)n1 91872752 OUAHINMZBMCLEE-UHFFFAOYSA-N 331.847 4.060 0 50 EIAA COCCC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 97619149 NSAORUCKFJWZQA-LBPRGKRZSA-N 328.815 4.150 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C 101847512 YZZLWRCPCIMEHR-UEDNIHKISA-N 325.537 4.088 0 50 EIAA CCCC[C@H](CC)C(=O)NC[C@H](C)NC(=O)[C@H](CC)CCCC 101897947 NQBVGWKSYOLZMJ-YESZJQIVSA-N 326.525 4.040 0 50 EIAA COCCN(Cc1cccc2c1oc1ccccc12)C[C@@H]1CCCO1 215066659 NUPCFGZWHPLKQO-KRWDZBQOSA-N 339.435 4.213 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 245238634 XBSQQVJXPODPRW-LBCMOLISSA-N 344.495 4.386 0 50 EIAA Cc1c(NC(=O)N[C@H](C)c2ccc(O)cc2)cccc1N1CCCC1 299777665 CLYSJHGTAYRTSJ-OAHLLOKOSA-N 339.439 4.184 0 50 EIAA Cc1ccc2nc([C@@H]3CCCN(C(=O)N(C)C4CCCC4)C3)[nH]c2c1 328789536 KTOQELZOKZTXDS-OAHLLOKOSA-N 340.471 4.045 0 50 EIAA C[C@@H](c1ccc(-c2cc(CC(=O)O)ccc2O)cc1)N1CCCCC1 534631813 USNUEDDHVRICFF-HNNXBMFYSA-N 339.435 4.233 0 50 EIAA CCCCc1ccc(C(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)cc1 952968014 JAAULSYZJAWRRB-CYBMUJFWSA-N 337.423 4.211 0 50 EIAA COc1ccc(CN[C@@H](C)CC(C)(C)c2ccccc2)cc1C(=O)O 952981720 JWQJUUSVZNZFNK-HNNXBMFYSA-N 341.451 4.239 0 50 EIAA O=C(Nc1ccc2scnc2c1)c1ccc([C@@H]2CCCO2)s1 952984342 ZWTCKGBAYISWDI-LBPRGKRZSA-N 330.434 4.462 0 50 EIAA O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cc(-n2cccn2)ccc1Cl 1857680192 DUGGOPJSWRQGKK-LZWOXQAQSA-N 343.858 4.082 0 50 EIAA Cc1cc(C(=O)O)c(F)cc1NC(=O)c1csc2ccccc12 1875335238 XXEYCJPWCRQIRX-UHFFFAOYSA-N 329.352 4.299 0 50 EIAA Cc1cnc(CN(C)C(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)[nH]1 2325770167 MROSICAPWZXHDW-MRXNPFEDSA-N 333.863 4.160 0 50 EIAA CC(C)c1ccc(CC(=O)NCCc2ccn(C3CCCC3)n2)cc1 2325865140 OUBKPSODZLSKDE-UHFFFAOYSA-N 339.483 4.023 0 50 EIAA C[C@H]1C[C@@H](NC(=O)c2ccc(Br)s2)CC(C)(C)C1 376614 DFYTWDOEZSZJGX-VHSXEESVSA-N 330.291 4.455 0 50 EIAA COc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 1165126 HVUKOKZXRBXULU-UHFFFAOYSA-N 339.174 4.042 0 50 EIAA O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1 1404970 UBODBGNVTZRUBH-UHFFFAOYSA-N 326.739 4.288 0 50 EIAA Clc1ccc(Nc2nc(Cn3nnc4ccccc43)cs2)cc1 5777760 FGRWHDBFWQOCPQ-UHFFFAOYSA-N 341.827 4.333 0 50 EIAA CCCCn1nc(C)c2c(C(F)F)cc(-c3cn(C)nc3C)nc21 8782660 LWTCSAAFJXWZGR-UHFFFAOYSA-N 333.386 4.186 0 50 EIAA COc1cccc(C[C@]2(CO)CCCN(CCCC3CCCC3)C2)c1 12589905 QCLKEQMJODSKTP-JOCHJYFZSA-N 345.527 4.283 0 50 EIAA O=C(CCC1CCN(C[C@H]2CC=CCC2)CC1)Nc1ccccc1 12711641 HWGZDUYRHJJCNN-IBGZPJMESA-N 326.484 4.474 0 50 EIAA C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@@H]1CCCO1 13324302 KJKARWKNWLOOHS-SNRMKQJTSA-N 341.476 4.204 0 50 EIAA O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1cccc(F)c1 15836215 BUKHNDQCLIJOCW-OAHLLOKOSA-N 326.327 4.051 0 50 EIAA C[C@@H](c1cccnc1)N(C)C(=O)CCSCc1ccc(F)cc1 55168006 GWXFVTCZELHZNL-AWEZNQCLSA-N 332.444 4.064 0 50 EIAA COc1ccccc1CN(Cc1ccccc1)C[C@@H]1CCCCC1=O 55525084 HKAWHAJMTVHDDV-IBGZPJMESA-N 337.463 4.457 0 50 EIAA COc1ccc(-c2nc(Cn3cnc4ccccc43)c(C)o2)c(F)c1 67908607 DLJFBYMWMXTCBL-UHFFFAOYSA-N 337.354 4.196 0 50 EIAA CC(C)c1nc(CN(C)C(=O)c2ccc(N3CCCC3)cc2)cs1 82092375 XGZYZJSAYWISAG-UHFFFAOYSA-N 343.496 4.139 0 50 EIAA Cc1cc2cc(C(=O)NCc3ccc(-n4ccnc4C)cc3)ccc2o1 91562715 UAEBHNILBBUHIF-UHFFFAOYSA-N 345.402 4.165 0 50 EIAA CCc1cc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)cs1 95360042 AFPNLTMQKPPFGL-AWEZNQCLSA-N 331.485 4.108 0 50 EIAA O=C(Nc1ccccc1-c1ccccc1)N(C[C@@H]1CCOC1)C1CC1 123507062 OHKKNCKMRDLZFS-INIZCTEOSA-N 336.435 4.386 0 50 EIAA FC(F)(F)c1ccnc(SCc2ccc(Cl)nc2Cl)n1 170617580 SESVZJKVSPUTHF-UHFFFAOYSA-N 340.157 4.490 0 50 EIAA Cc1cc(C)c2nc(NC(=O)c3cnc(C)nc3C(C)C)sc2c1 172095335 NTVIJVJKFPOVDF-UHFFFAOYSA-N 340.452 4.387 0 50 EIAA CCCn1c(NC(=O)c2ccncc2C(F)(F)F)nc2ccccc21 193054980 CHBMNDMAUVWJHK-UHFFFAOYSA-N 348.328 4.112 0 50 EIAA CN(Cc1cc(F)cc(F)c1)Cc1ccccc1CN1CCCC1 216338563 MJFHPNQVFMUHMV-UHFFFAOYSA-N 330.422 4.193 0 50 EIAA O=C(c1ccc(CO)cc1)N1CCCCC[C@H]1c1cccc(F)c1 223572761 RGJVBBOASDLYAN-IBGZPJMESA-N 327.399 4.076 0 50 EIAA c1cc(NCc2cnc3ccccc3c2)cc(OC[C@@H]2CCCO2)c1 265210066 RFPZTYHZPYNTJY-FQEVSTJZSA-N 334.419 4.405 0 50 EIAA CCc1ccc2occ(C(=O)N3CCC[C@@H]3c3cn(C)nc3C)c2c1 368614980 OUDFQIINEGHYJF-GOSISDBHSA-N 337.423 4.014 0 50 EIAA COc1ccc(CN(C)C(=O)[C@@H]2CC23CCCCC3)c2cccnc12 426477847 FFBSIGFBESNMPE-KRWDZBQOSA-N 338.451 4.172 0 50 EIAA Cc1nccn1Cc1ccccc1NC(=O)c1ccccc1Cl 828180150 OQOPFDMFEKXMOW-UHFFFAOYSA-N 325.799 4.146 0 50 EIAA O=C(CC1(Cn2cccc2)CCCCC1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 888103945 MYPPXOGXJJTZRS-FHWLQOOXSA-N 326.484 4.157 0 50 EIAA COC(C)(C)[C@H](C)NC1CCN(c2cccc(C(F)(F)F)c2)CC1 952845227 HHNLKUQYPMGMSG-ZDUSSCGKSA-N 344.421 4.077 0 50 EIAA CC(C)c1ccc(-c2nc(CN[C@H](CO)C3CCC3)cs2)cc1 1875354026 OQYLGCBYFWOAFT-GOSISDBHSA-N 330.497 4.184 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)N3CCCC3(C)C)[C@H]2C)cc1F 1875358213 NGWMWJHUYRPJQX-DZGCQCFKSA-N 334.435 4.007 0 50 EIAA C[C@@H]1C[C@@H]1c1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)nc3)C2)o1 2325803137 SDZPMWAULBXDSZ-BNOWGMLFSA-N 330.815 4.081 0 50 EIAA C[C@H](N)c1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cs1 2325828230 BMHACSGVNUSARR-ZUZCIYMTSA-N 349.887 4.087 0 50 EIAA CCCCc1oc2ccccc2c1C(=O)NCC[C@@H](C(C)C)N(C)C 2325862697 DQSSJOLYFSFWKC-KRWDZBQOSA-N 344.499 4.482 0 50 EIAA C[C@@H]1CCc2cc(NC(=O)NC[C@H]3CC(C(C)(C)C)=NO3)ccc2C1 2325865130 ONBGYLDMEOPBGK-CXAGYDPISA-N 343.471 4.124 0 50 EIAA Cc1cc(C)cc(OCC(=O)Nc2cccc(Br)c2)c1 129357 ZYXVLPKNZIJFDQ-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA O=C(Oc1cccc2cccnc12)c1ccc(Br)cc1 175269 NIMPOVGNJNEPNX-UHFFFAOYSA-N 328.165 4.217 0 50 EIAA COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 210742 NWSKMHOHFISWIT-UHFFFAOYSA-N 347.414 4.474 0 50 EIAA C[C@H](NC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 213910 DGWITJVKJIVNMH-KRWDZBQOSA-N 326.459 4.183 0 50 EIAA CCOc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 450664 VYQYSKSWXDUNGZ-UHFFFAOYSA-N 342.464 4.336 0 50 EIAA COC(=O)c1sccc1Oc1ncc(-c2ccc(Cl)cc2)cn1 1383866 RTDIICAKVUAMMG-UHFFFAOYSA-N 346.795 4.437 0 50 EIAA Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)c1 1770381 MODNSYZNDXQXCK-UHFFFAOYSA-N 338.234 4.419 0 50 EIAA CCCOc1ccc(S(=O)(=O)NC2CCCCC2)c2ccccc12 2883809 JVJILDDPCMAEBM-UHFFFAOYSA-N 347.480 4.240 0 50 EIAA COc1cc(C)ccc1OCCOCCOc1cccc(Cl)c1 2984914 BKMXFLOJODYXLQ-UHFFFAOYSA-N 336.815 4.131 0 50 EIAA CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl 2993537 QSPUVBFDRSNMLS-LLVKDONJSA-N 345.270 4.265 0 50 EIAA O=C(O)C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1Cl 4743421 GCKPWUAZSXJRCC-LLVKDONJSA-N 344.219 4.001 0 50 EIAA O=C(NC1CCCCC1)c1ccc(NC(=O)c2cccs2)cc1 4821070 PXXZEJZNUXEGKH-UHFFFAOYSA-N 328.437 4.063 0 50 EIAA C[C@@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 5954495 FVGFBPCNUYQRDN-GCJKJVERSA-N 347.458 4.444 0 50 EIAA COC(=O)c1ccccc1NC(=S)Nc1cccc(Cl)c1C 6545642 DXBGUQJNIUUUHW-UHFFFAOYSA-N 334.828 4.244 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)COc2ccccc2Cl)c1 9141910 WZAPSKNNJKXPSB-UHFFFAOYSA-N 346.814 4.096 0 50 EIAA CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)O)cc1O2 11766681 WANGOBMTSMKKGJ-UHFFFAOYSA-N 346.423 4.090 0 50 EIAA COc1cc(C[C@H](C)NCc2ccc3[nH]c(C)c(C)c3c2)ccc1O 11957356 ZULLUKANCNLRJT-ZDUSSCGKSA-N 338.451 4.220 0 50 EIAA COc1ccc(C[C@H](C)N2CCN(c3cccc(Cl)c3)CC2)cc1 12383612 ZGOBGUXYDWORCM-INIZCTEOSA-N 344.886 4.102 0 50 EIAA Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)oc2ccccc12 15425559 GIAJWUQRSVNGMP-UHFFFAOYSA-N 348.446 4.136 0 50 EIAA C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 22001458 MCNZISFQKMPWRJ-DOYHNPMNSA-N 338.447 4.290 0 50 EIAA in-vitro Cc1ccccc1-c1noc(CNC(=O)Nc2cccc(Cl)c2)n1 41152431 ALKSDLILNMKWCI-UHFFFAOYSA-N 342.786 4.020 0 50 EIAA Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)C[C@@H]3c2ccoc2)c1 65369979 OFWZAOVCJKRJMW-GOSISDBHSA-N 346.386 4.314 0 50 EIAA Cc1ccsc1-c1nc(CN(C)Cc2noc(C(C)C)n2)c(C)o1 67967240 IYSHKCAMDXKVMK-UHFFFAOYSA-N 346.456 4.158 0 50 EIAA CCc1cc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)on1 71759708 WRUIDCFNKKZENE-CQSZACIVSA-N 334.410 4.360 0 50 EIAA Sc1nc2c(Br)cc(Br)cc2s1 74934305 RIBNBUOCHKVMAZ-UHFFFAOYSA-N 325.050 4.110 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)c2cnccc2C)CC1 77385611 IELRGDGBPFGIQY-UHFFFAOYSA-N 326.465 4.095 0 50 EIAA Cc1ccc(F)c(-c2nccn2Cc2cncn2C2CC2)c1Cl 82086619 HZDRJROULZDQKU-UHFFFAOYSA-N 330.794 4.231 0 50 EIAA CCc1cc([C@@H](C)n2cc(-c3ccccc3-c3ccco3)nn2)on1 91643249 NOBCMNQFKYLWDW-CYBMUJFWSA-N 334.379 4.365 0 50 EIAA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 100199417 IYWXNCONOXNVSJ-QGZVKYPTSA-N 329.399 4.055 0 50 EIAA c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](NCCc2cccs2)C3)cc1 248408638 CFQKSPRNMVTUEI-REPLKXPHSA-N 326.509 4.076 0 50 EIAA CCC(CC)(CNCc1ccc(OCc2ccccc2)cc1)C(=O)O 263046363 JVLUSTUARODVGD-UHFFFAOYSA-N 341.451 4.246 0 50 EIAA O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC[C@H](C(F)(F)F)C1 278206983 GRPNRZYDZSUPGH-IVZWLZJFSA-N 337.794 4.306 0 50 EIAA Cc1cc(CN[C@@H]2CCCc3nn(C)cc32)ccc1Oc1cccnc1 282146868 AAVDKPBMYHXMQZ-LJQANCHMSA-N 348.450 4.083 0 50 EIAA CC(C)c1ccc(-c2nc(CN3C[C@H](CN)C[C@H]3C)cs2)cc1 442768433 OFJUTFQIISWESL-CABCVRRESA-N 329.513 4.103 0 50 EIAA Cc1cc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc(C)n1 817559932 FXZJBKPKSXRULD-UHFFFAOYSA-N 339.386 4.204 0 50 EIAA C[C@@H](O)c1cccc(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)n1 893873600 BJVAWFNYCGOGKR-CYBMUJFWSA-N 339.414 4.139 0 50 EIAA Cc1cc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)ccn1 1344050462 WQOHQWMQQPBINA-UHFFFAOYSA-N 337.379 4.161 0 50 EIAA c1ccc([C@H]2[N@@]3[C@@H]([C@H]3c3ccccc3)[C@]3(c4ccccc4)O[N@@]23)cc1 1857795331 JEKWBADSIIAEGZ-XIOQGWQRSA-N 326.399 4.225 0 50 EIAA O=C(NCCCOc1ccncc1)Nc1ccc(-c2ccccc2)cc1 2325739587 RDDFPZDWZVUKSP-UHFFFAOYSA-N 347.418 4.339 0 50 EIAA CN(C)c1ccc(-c2ccnc(NC3CCC(F)(F)CC3)n2)cc1 2356167947 JSQHFYLACNGUEK-UHFFFAOYSA-N 332.398 4.199 0 50 EIAA Cc1nc(=O)c(-c2ccccc2)c(C)n1CCc1c[nH]c2ccccc12 199122 ZSZUCINQLCLTJY-UHFFFAOYSA-N 343.430 4.251 0 50 EIAA O=C(Oc1ccc(Br)cc1Cl)c1ccc(F)cc1 358975 GLGQCDPFPPDLSA-UHFFFAOYSA-N 329.552 4.461 0 50 EIAA O=C1N(c2cccc3ccccc23)[C@H](c2ccccc2)N2CCCN12 382235 IRDJPCKOSDLCKU-HXUWFJFHSA-N 329.403 4.401 0 50 EIAA CN(C)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 434334 KQCYGVUXUDXVEO-UHFFFAOYSA-N 330.431 4.272 0 50 EIAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 464198 CKMJNYFBHZQUPE-CYBMUJFWSA-N 333.815 4.371 0 50 EIAA COc1ccccc1-c1nn2c(-c3ccccc3Cl)nnc2s1 525184 GINQEEWVWWQYPF-UHFFFAOYSA-N 342.811 4.182 0 50 EIAA COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1C 558540 PEGYXNAWMNJLTK-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccncc1 1054578 BJAUMUDTXQRDLB-AWEZNQCLSA-N 330.387 4.197 0 50 EIAA O=C(COc1ccc(-c2ccccc2)cc1)N1CCc2ccccc2C1 1459175 RRFIQQWGKPAUPR-UHFFFAOYSA-N 343.426 4.317 0 50 EIAA COc1ccc([C@@H](CC(=O)N2CCCCC2)c2ccc(F)cc2)cc1 2453331 LRBAKYKKRLTDMJ-FQEVSTJZSA-N 341.426 4.369 0 50 EIAA CCCCC/C=C/C[C@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 3869368 VNYSSYRCGWBHLG-FPDMURTPSA-N 336.472 4.158 0 50 EIAA in-vitro CSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2C)n1 6730290 ANHRIBPRRUVYAL-UHFFFAOYSA-N 328.224 4.066 0 50 EIAA CSc1ccccc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 13284730 SLPFBXWQZYIDAU-UHFFFAOYSA-N 343.477 4.324 0 50 EIAA CCc1noc(C)c1C(=O)Nc1ccc(Br)c(Cl)c1 13325664 LEEPGPWUJJJSAH-UHFFFAOYSA-N 343.608 4.214 0 50 EIAA CC(C)(c1ccccc1)c1ccc(OCCCN2CCOCC2)cc1 20118714 KKUTULFASXHEGQ-UHFFFAOYSA-N 339.479 4.114 0 50 EIAA Cc1ccc(NC2(c3nc(CN(C)C)no3)CCCCC2)cc1C 67655053 BCJUPUVVWXFIGH-UHFFFAOYSA-N 328.460 4.020 0 50 EIAA Cc1cc(C(=O)N2CC(c3ccccn3)C2)sc1-c1ccccc1 72158555 OYMBJOKACHGQQA-UHFFFAOYSA-N 334.444 4.358 0 50 EIAA CCCNc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 170614795 UYINLAHLWGHDAY-CQSZACIVSA-N 346.858 4.246 0 50 EIAA Cc1ccc2c(c1)[C@H](NC(=O)N1CCn3cccc3[C@@H]1C)CCS2 170622303 VQQZRCRMFBIODJ-GOEBONIOSA-N 341.480 4.120 0 50 EIAA Nc1c(-c2ccc(Br)cc2)cnn1-c1ccc(F)cc1 215851964 AZJKPSHVSUKAGL-UHFFFAOYSA-N 332.176 4.023 0 50 EIAA COc1cc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc(OC)c1OC 239433416 XQRWVLYBJVRVPB-YESZJQIVSA-N 333.472 4.161 0 50 EIAA CCc1ccsc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273295312 LWMKZGRFQSLXEV-DLBZAZTESA-N 347.455 4.442 0 50 EIAA Cc1c(C(=O)Nc2ccc3oc(=O)ccc3c2)oc2ccc(F)cc12 334161493 BJRFOPBAIMFTOW-UHFFFAOYSA-N 337.306 4.239 0 50 EIAA Cc1[nH]nc(CN2CCCC[C@@H]2c2ccc(CN(C)C)cc2)c1Cl 952979761 FRQWORBTIWDBJG-GOSISDBHSA-N 346.906 4.160 0 50 EIAA C[C@@H](NC(=O)c1ccc2cccnc2c1)c1cccc(OC(F)F)c1 1353618542 FHICDVFRVKLCPQ-GFCCVEGCSA-N 342.345 4.327 0 50 EIAA C[C@H](O)[C@]1(C)CCCN1C(=O)Nc1ccc2c(c1)oc1ccccc12 1875317438 XLKWBAZYSLTUTL-RBZFPXEDSA-N 338.407 4.353 0 50 EIAA CC(C)C[N@@]1C[C@H]1COc1ccc(-c2coc3ccccc3c2=O)cc1 1875384995 KRPGAJJTXUHBFM-SBUREZEXSA-N 349.430 4.179 0 50 EIAA O=C(C/C=C/c1cccc(F)c1)N1CCC[C@H](c2ccncc2)CC1 2325774229 SBGCTDUDVLVVRR-SRSGJAESSA-N 338.426 4.420 0 50 EIAA O=C(NC(=S)Nc1ccc2c(c1)-c1ccccc1C2)c1ccccc1 262221 VXUQGMLAONEGJP-UHFFFAOYSA-N 344.439 4.385 0 50 EIAA Cc1ccccc1NC(=O)COc1ccc(Br)cc1C 311135 LLDGOXCYXJVWJN-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA C/C(Cl)=C/Cc1c(C)[nH]c2ccc(Br)cc2c1=O 345921 GQSFVVFEQSSPDF-BAQGIRSFSA-N 326.621 4.284 0 50 EIAA biogenic COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccccc2C)cc1Cl 364951 XULGCCYBOWBLBJ-GFCCVEGCSA-N 349.814 4.072 0 50 EIAA O=C(Nc1cc(Cl)ccc1O)c1ccc(Br)cc1 433348 USJDPHSLXXILDF-UHFFFAOYSA-N 326.577 4.060 0 50 EIAA O=c1oc2cc(OCc3c(F)cccc3F)ccc2c2c1CCC2 609888 ISOSKIYVPLFDHX-UHFFFAOYSA-N 328.314 4.139 0 50 EIAA COCCSc1ccccc1C(=O)NCc1ccc(Cl)cc1 2865318 FPVZVKSEJHMBHY-UHFFFAOYSA-N 335.856 4.009 0 50 EIAA Cc1cccc(-c2noc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 6811175 AYFCDWRHOAVTDP-UHFFFAOYSA-N 349.434 4.273 0 50 EIAA Cc1ccc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)o1 15073229 DXDXLCUAZPRURO-GOSISDBHSA-N 341.451 4.470 0 50 EIAA FC(F)(F)c1ccccc1CN1CCN(C2CCCCC2)CC1 19831825 NRIGHZKBHDKEFW-UHFFFAOYSA-N 326.406 4.156 0 50 EIAA c1cncc(-c2cccc(-c3ccn(CCCN4CCCCC4)n3)c2)c1 20861471 DFUGMGZWAUUISK-UHFFFAOYSA-N 346.478 4.488 0 50 EIAA COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 36619735 IRAAXXHLKAQGAK-OAHLLOKOSA-N 344.436 4.212 0 50 EIAA Cc1ccc(NC2(C(=O)NCc3ccc(Cl)nc3)CCCC2)cc1 55325227 IHBRVWWRJHWFBE-UHFFFAOYSA-N 343.858 4.085 0 50 EIAA CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1noc2c1CCCC2 97568829 POGWPWHZSHQCRA-SFHVURJKSA-N 330.428 4.020 0 50 EIAA C[C@H](c1ccc(C(=O)N(C)Cc2ccsc2)o1)N1CCCCC1 97730095 UUQRQUPYSJUFEQ-CQSZACIVSA-N 332.469 4.160 0 50 EIAA c1ccc([C@@H]2CN(Cc3ccc(-c4ccccn4)cc3)CCO2)cc1 141832156 AFRZZFTXBCQSHJ-QFIPXVFZSA-N 330.431 4.322 0 50 EIAA CN(C(=O)Nc1cnn(-c2ccccc2)c1)C1CCCCCCC1 170637804 KGSRCOGXAXKUAO-UHFFFAOYSA-N 326.444 4.449 0 50 EIAA O=C(CSC[C@@H]1CCCCO1)Nc1scnc1-c1ccccc1 171062274 OXGKAUWNMUSCNX-AWEZNQCLSA-N 348.493 4.051 0 50 EIAA CN(CCCOc1cccc(Cl)c1)C(=O)c1cccn1C1CC1 180819279 FQCPRHGJKUTWDS-UHFFFAOYSA-N 332.831 4.018 0 50 EIAA CC(=O)N(c1nc(CN[C@H](C)CC2CCCCC2)cs1)C1CC1 193274333 ZUYJHHNSEHPHBZ-CYBMUJFWSA-N 335.517 4.107 0 50 EIAA CCN(Cc1ccccc1)C(=O)CN1CC[C@@H]1c1ccc(Cl)cc1 253417352 ZQRITCWEIXBLEF-LJQANCHMSA-N 342.870 4.136 0 50 EIAA CC(=O)c1cc(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)cs1 670459214 CGSQGEKXXSNSSJ-LJQANCHMSA-N 327.449 4.048 0 50 EIAA Cc1cccc(C(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)c1F 1463336033 NVFDNYMQZKEDDJ-UHFFFAOYSA-N 346.365 4.325 0 50 EIAA Cc1ccccc1-c1ncc(-c2nccn2CC[C@H]2C[C@@H](O)C2)s1 1857706692 NLOGZFUTEPUWON-GASCZTMLSA-N 339.464 4.143 0 50 EIAA O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cnsc1 1875335313 BDJGRRWOHDBPLW-UHFFFAOYSA-N 346.358 4.144 0 50 EIAA CCCOC1CCN([C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 2325805980 JVVUUEATIGWBEQ-DLBZAZTESA-N 346.515 4.418 0 50 EIAA CN1CCN(C(=O)Nc2ccc(C3CCCCC3)cc2)CC12CC2 2325871754 XYKRQUMHKQYPRF-UHFFFAOYSA-N 327.472 4.046 0 50 EIAA O=C(Nc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 33487 SHEZDWIKSSIDGB-UHFFFAOYSA-N 344.827 4.426 0 50 EIAA CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2 103371 UQPKPUXSKIITOS-UHFFFAOYSA-N 348.493 4.033 0 50 EIAA S=C(NCCc1ccccc1)N1CCC(Cc2ccccc2)CC1 467786 ZCSMAIMVKPHKME-UHFFFAOYSA-N 338.520 4.058 0 50 EIAA COc1cccc(NC(=O)c2c(N)sc3c2CCCCCC3)c1 2558520 NHJCPOBRZVCUMZ-UHFFFAOYSA-N 330.453 4.250 0 50 EIAA Cc1nc(C)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)s1 2862431 VXUMRZLQTNIODP-UHFFFAOYSA-N 347.421 4.031 0 50 EIAA OCCN(Cc1ccccc1)C(=S)Nc1cccc2ccccc12 3140832 ATEDMLYUAVCCTM-UHFFFAOYSA-N 336.460 4.031 0 50 EIAA Cc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)c1Cl 4674834 GOENUIKRCHXARD-UHFFFAOYSA-N 347.886 4.421 0 50 EIAA CCCCC[C@H](NC(=S)c1ccccc1)n1nnc2ccccc21 5308888 FBEMLILGZUTPBV-GOSISDBHSA-N 338.480 4.476 0 50 EIAA COc1ccc(F)c(-c2nc(CN(C)C(C3CC3)C3CC3)c(C)o2)c1 12386022 CGVOTSKDAQLRTB-UHFFFAOYSA-N 344.430 4.418 0 50 EIAA OC[C@]1(Cc2ccccc2)CCCN(Cc2ccc(F)cc2Cl)C1 12430836 PDNDSRQTMGQSOZ-FQEVSTJZSA-N 347.861 4.296 0 50 EIAA C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 16247025 MVPZIIXKEANFCY-GRYCIOLGSA-N 330.255 4.265 0 50 EIAA COc1cc2c(cc1O)NC(=O)C[C@@H]2c1oc2ccc(C)cc2c1C 65526074 MUDHBVVRSSCPAH-AWEZNQCLSA-N 337.375 4.238 0 50 EIAA CN1CCC=C([C@@H]2CCCCN2C(=O)c2cc3ccccc3s2)C1 67677055 HHKWVUWLUWFRHA-KRWDZBQOSA-N 340.492 4.158 0 50 EIAA Cc1cccc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)c1 77339239 BDFRNZTVJUQHBU-NRFANRHFSA-N 336.479 4.424 0 50 EIAA O=C(c1cnn2ccccc12)N1CCCC[C@@H]1CCc1cccs1 82092382 FFWXCSVXPRILQX-OAHLLOKOSA-N 339.464 4.023 0 50 EIAA Cc1nnc([C@@H](C)OC(=O)c2cc(C(C)C)cc(C(C)C)c2O)o1 140643739 PXHPLBLUPCFCAP-LLVKDONJSA-N 332.400 4.248 0 50 EIAA Cc1c(NC(=O)c2cc3ccccc3n2C)cnn1-c1ccccc1F 153415840 FIAZKYWBSXKGOZ-UHFFFAOYSA-N 348.381 4.064 0 50 EIAA CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cccnc1)CCC2 153720592 RTYCLVFVKBMLOT-HXUWFJFHSA-N 337.467 4.424 0 50 EIAA COCc1cccc(N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 173891978 PJGLENJDHOAIIK-KRWDZBQOSA-N 344.842 4.094 0 50 EIAA Cc1ncsc1C(=O)Nc1cc(F)c(Br)cc1Cl 241144890 JTYOGXVKRYBLHR-UHFFFAOYSA-N 349.612 4.259 0 50 EIAA CSC(C)(C)C[C@H](C)N[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 244774066 PNGUVYVHUKQZPF-SIGCRHPSSA-N 325.562 4.216 0 50 EIAA C[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1cccc2ccccc12 247622884 UAXNCBTXCBJXSP-VVHHDAOASA-N 338.451 4.158 0 50 EIAA CC(C)c1ccc(NC(=O)N(C)CCc2cnccn2)c(C(C)C)c1 271607730 VKDBCZAALJXBPJ-UHFFFAOYSA-N 340.471 4.430 0 50 EIAA CN(CC1(CO)CCC1)C(=O)c1cccc(-c2ccccc2Cl)c1 299787195 VQNPEDPECITYRJ-UHFFFAOYSA-N 343.854 4.242 0 50 EIAA COc1cc(-c2noc(-c3sc([C@@H](C)OC)nc3C)n2)ccc1F 328593751 DYLVJDUOVAUNQV-SECBINFHSA-N 349.387 4.024 0 50 EIAA COC1([C@H](C)NCc2cccc(Oc3ccccc3)c2)CCOCC1 453056893 HDMRSYCPKRPXTI-KRWDZBQOSA-N 341.451 4.153 0 50 EIAA C[C@@H](NC(=O)NC[C@H]1CCOC1(C)C)c1cc(Cl)ccc1Cl 660505977 WYOBHWOJJGJXKQ-GHMZBOCLSA-N 345.270 4.169 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)c(C)o1 1506427829 SYBFHEBVBACOFE-QGZVFWFLSA-N 327.424 4.230 0 50 EIAA CSc1cc(C)c(-c2nc(-c3cccc4ncc(O)cc34)no2)o1 1875335923 MBUCCMJVOCQCKY-UHFFFAOYSA-N 339.376 4.281 0 50 EIAA CCN1CCN=C1NCc1cccc(Oc2cccc3ccccc23)c1 2325863964 BEYJPDOWQRXHJV-UHFFFAOYSA-N 345.446 4.413 0 50 EIAA CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 32016 ARULSDQRCKOYIO-UHFFFAOYSA-N 338.451 4.073 0 50 EIAA O=C(Nc1cccc2nsnc12)C(c1ccccc1)c1ccccc1 104078 ZSOGKPXLDWFNNG-UHFFFAOYSA-N 345.427 4.462 0 50 EIAA O=C(COc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 129233 WFDMZLILPAPQLM-UHFFFAOYSA-N 333.387 4.283 0 50 EIAA O=C(Nc1cccc(NC(=O)c2ccccc2F)c1)c1ccccc1 172571 DUKFKTSSZCBNTG-UHFFFAOYSA-N 334.350 4.330 0 50 EIAA Ic1cccc(-c2nnc(-c3ccccc3)o2)c1 197821 FBBKOHNAHPCMBF-UHFFFAOYSA-N 348.143 4.008 0 50 EIAA COc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1 432249 FGRMHATUCKBIJV-NRFANRHFSA-N 344.414 4.175 0 50 EIAA Cc1ccccc1Cc1nnc(NC(=O)c2ccccc2Cl)s1 618132 DFOYFAUXOHRVOO-UHFFFAOYSA-N 343.839 4.343 0 50 EIAA COC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc(C)c1C 1054187 MHQCBEHDHHKVCM-UHFFFAOYSA-N 343.404 4.458 0 50 EIAA O=C(C[C@H](C(=O)O)c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 4488159 BDBNNQMGNNSGQB-SFHVURJKSA-N 347.414 4.488 0 50 EIAA CCOc1ccc(CN2CCC(N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 4745730 KGURGDPFABWGJD-ROUUACIJSA-N 330.516 4.028 0 50 EIAA O=C(Nc1ccc(Br)cc1Cl)c1cccc(F)c1 4841686 MYSSKYXTSKIOOW-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1 4843261 RJDKPYMMDWRRQI-UHFFFAOYSA-N 325.437 4.219 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2ccon2)C1 12594090 KZYDKSLLIYWNQK-HXUWFJFHSA-N 346.430 4.437 0 50 EIAA O=C(CC1=CCCCC1)N1CCC[C@@](CO)(CCc2ccccc2)C1 15064734 RXFDIXMITAOZKD-JOCHJYFZSA-N 341.495 4.111 0 50 EIAA COc1ccc(/C=C2\SC(=N)N(c3cc(C)ccc3C)C2=O)cc1 15799149 DURNUFXUOGQRPD-JWZKOSBISA-N 338.432 4.368 0 50 EIAA CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccccc2Cl)on1 33270077 WUCFJJCUJTVIEH-INIZCTEOSA-N 332.831 4.358 0 50 EIAA COc1cccc2c(N)c(C(=O)c3ccc(Br)cc3)oc12 38986222 XQCPZEFOVPVXSI-UHFFFAOYSA-N 346.180 4.017 0 50 EIAA Cc1nc2cc(C(=O)N3CCC[C@H](c4ccccc4C)C3)ccc2[nH]1 77394259 IKLIDMMIGQFAFG-KRWDZBQOSA-N 333.435 4.200 0 50 EIAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@H]2c2cccc(F)c2)c1C 77422375 IBHLHMUSEHIDDO-KRWDZBQOSA-N 342.414 4.341 0 50 EIAA Cc1cccc([C@H]2CCCN(C(=O)c3ccccc3-c3ncc[nH]3)C2)c1 77503251 WGZBVHJFGZTREK-SFHVURJKSA-N 345.446 4.405 0 50 EIAA CN(Cc1cccc2cnccc12)C(=O)C1=Cc2ccccc2OC=C1 82136699 PCUOHTVLXQFUHA-UHFFFAOYSA-N 342.398 4.183 0 50 EIAA O=C(CCCN1CC=C(Oc2ccc(F)cc2)CC1)c1ccccc1 95918164 WXBHXOVUYJHQCG-UHFFFAOYSA-N 339.410 4.457 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(-c2cnco2)c1 188627018 YRAWBNRPBCQJLM-UHFFFAOYSA-N 339.420 4.311 0 50 EIAA CC(=O)N1CCC[C@@H](c2nc(Cc3ccccc3Cl)cs2)C1 225745855 HVMYHTHYJLAUFT-CQSZACIVSA-N 334.872 4.113 0 50 EIAA CCOc1cccc([C@H](C)NC(=O)c2c(Cl)cncc2Cl)c1 292870658 XEKHYBFMWBAYGL-JTQLQIEISA-N 339.222 4.278 0 50 EIAA O=C(CCn1ccc(-c2cccs2)n1)Nc1ccc(Cl)cc1 432249929 HDILATQUXWMUJH-UHFFFAOYSA-N 331.828 4.294 0 50 EIAA CC(=O)N[C@@H](C)c1ccc(-c2cc(OC(F)(F)F)ccc2O)cc1 1772710998 XXCFRWJVVOXPTI-JTQLQIEISA-N 339.313 4.155 0 50 EIAA O=C(OCC(F)F)c1cn(Cc2ccccc2)nc1-c1ccccc1 1875360942 MNQMVOPXDPPNHG-UHFFFAOYSA-N 342.345 4.020 0 50 EIAA C[C@@H]1C[C@H]2CCCC[C@H]2N(C(=O)c2cccc(-c3ccncc3)n2)C1 2325791702 RHHNJUUHNSXQTP-WRWLIDTKSA-N 335.451 4.184 0 50 EIAA O=C(O[C@H]1C[C@@H](OCc2ccccc2)C1)c1cccc2ccncc12 2325821553 YGHWWTNIEJXAGJ-HDICACEKSA-N 333.387 4.139 0 50 EIAA O=C(CSc1ccc(Cl)cc1)Nc1cccc2nsnc12 1076291 DNUDMQUDLNSECY-UHFFFAOYSA-N 335.841 4.076 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1 2748810 MEJAANYFULFWMK-INIZCTEOSA-N 338.234 4.467 0 50 EIAA Cc1ccccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 3481301 LGWFRGAAUFCXOU-UHFFFAOYSA-N 336.391 4.431 0 50 EIAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cn1 4749708 KNVOCVZOVURAIR-SNVBAGLBSA-N 325.195 4.103 0 50 EIAA CCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2nc1CC 5674253 LCENDJDSICBLPH-UHFFFAOYSA-N 336.391 4.334 0 50 EIAA Cc1[nH]c2ccc(-c3nnc(S)n3Cc3ccccc3)cc2c1C 8830251 GMUBRDAIMBJLTR-UHFFFAOYSA-N 334.448 4.380 0 50 EIAA Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)SCC(=O)N2 20893021 NZUCDXDLBLFSHH-INIZCTEOSA-N 341.461 4.017 0 50 EIAA FC(F)Oc1cc(Br)cc(Br)c1Cl 36532730 CXVQXPYVMOVNAK-UHFFFAOYSA-N 336.357 4.466 0 50 EIAA CCC[C@H](C)NC1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 63855970 GESVFJUFKRFAAI-INIZCTEOSA-N 338.499 4.199 0 50 EIAA Cc1nc[nH]c1[C@H]1CC(=O)Nc2cc3c(cc21)CCc1ccccc1N3 65404338 ANKPBXQZVUOSJF-INIZCTEOSA-N 344.418 4.034 0 50 EIAA OCC1(CCc2ccccc2)CCN(c2nccc3occc23)CC1 67695124 IMNUEKBAYFKDFA-UHFFFAOYSA-N 336.435 4.040 0 50 EIAA O=C(c1cccc(O)c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71759611 PJWJCMJKTABNPD-INIZCTEOSA-N 327.399 4.016 0 50 EIAA CC(C)c1noc([C@H]2CCCN2Cc2cncn2C2CCCCC2)n1 77285639 IODCLVHHPUABOC-QGZVFWFLSA-N 343.475 4.232 0 50 EIAA CC(=O)c1oc2ccccc2c1NC(=O)C[C@H](C)c1c(C)noc1C 153995243 LHUJVJKZCBKSKD-JTQLQIEISA-N 340.379 4.373 0 50 EIAA Cc1ccc(OC(F)F)c(CNc2nnc(CCC(C)C)o2)c1 170592355 LQFCHBWPNXVLFU-UHFFFAOYSA-N 325.359 4.180 0 50 EIAA CC[C@@H](NC(=O)c1ccccc1-c1ccc(F)cc1)c1ccnn1C 219882894 TUXGKDZHZZBUBJ-GOSISDBHSA-N 337.398 4.107 0 50 EIAA C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 241171099 KEDBRAGCGPOSJY-INMHGKMJSA-N 328.456 4.121 0 50 EIAA Cc1sc2nc([C@H](C)N[C@@H]3CCC[C@@H](C)[C@H]3C)nc(O)c2c1C 253534295 ARUUIBKLJBLXSB-KOXOONSLSA-N 333.501 4.489 0 50 EIAA CSCCCNC(=O)c1cccc(-c2cnc(C(C)C)s2)c1 534656714 UDQWDBFMDSUPQN-UHFFFAOYSA-N 334.510 4.416 0 50 EIAA C[C@H](O)c1cnc(-c2ccc(-c3cccc(C(=O)O)c3)cc2)s1 844206223 ZJNGMUQBRVFYRI-NSHDSACASA-N 325.389 4.229 0 50 EIAA C[C@@H](NC(=O)c1cnn(C2CCC2)c1)c1ccc(-c2ccncc2)cc1 933946325 LFYHOWMZOIAGMD-OAHLLOKOSA-N 346.434 4.161 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@H](C2CC2)O1 1529190409 IPNLTWMGBNNKIP-GDBMZVCRSA-N 337.410 4.083 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)[C@H]1C[C@H]1c1ccc(Cl)cc1 1775975393 APLLLLFBWCVNOK-STQMWFEESA-N 332.856 4.418 0 50 EIAA CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@H]1[C@H]2C 2084292141 ABFSDSQOZYJGJO-XXFFEUEESA-N 347.455 4.320 0 50 EIAA Clc1cc2ncc(N[C@H]3C[C@H](Cn4ccnc4)C3)nc2cc1Cl 2325855918 UYZCXZZPTVLNHB-XYPYZODXSA-N 348.237 4.024 0 50 EIAA Cc1ccc(OCC(=O)Oc2ccccc2C)c(Br)c1 38918 VTRRCRAMYICPLX-UHFFFAOYSA-N 335.197 4.050 0 50 EIAA O=C(O)c1cc(-c2ccccc2)nc(Nc2nc3ccccc3s2)n1 317939 CSCCBPNUEAMTRJ-UHFFFAOYSA-N 348.387 4.195 0 50 EIAA Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)o1 461458 ZAMFUATVXPLHTJ-UHFFFAOYSA-N 337.198 4.213 0 50 EIAA CC[C@H](C)Oc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 470558 MDNIWHCKACEEBU-YEVHIBAUSA-N 327.468 4.418 0 50 EIAA COc1cccc(OC)c1C(=O)Nc1ccc2c3c(cccc13)CC2 578867 BMLRTFXQKZQZPB-UHFFFAOYSA-N 333.387 4.208 0 50 EIAA Cc1ccc(NC(=S)c2nc3ccccc3[nH]2)c(Br)c1 1151940 GMUSLACOJWBWER-UHFFFAOYSA-N 346.253 4.421 0 50 EIAA CCOC(=O)N[C@@H](c1ccccc1F)[C@H]1CCc2ccccc2C1=O 1394508 DSIBFIVRUVDNPE-AEFFLSMTSA-N 341.382 4.058 0 50 EIAA CCOC(=O)N[C@@H](c1ccccc1F)[C@@H]1CCc2ccccc2C1=O 1394510 DSIBFIVRUVDNPE-WMZOPIPTSA-N 341.382 4.058 0 50 EIAA Nn1c(SC/C=C/c2ccccc2)nnc1-c1cccc(Cl)c1 2386481 IMALNBUQZZSNJU-VMPITWQZSA-N 342.855 4.118 0 50 EIAA O=C(CSc1nccc(-c2ccc(F)cc2)n1)Nc1ccccc1 2806950 WGVSIXWYPJFXSR-UHFFFAOYSA-N 339.395 4.014 0 50 EIAA C[C@@H](CCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 2894577 KOJKMUBHIZWCBP-ZDUSSCGKSA-N 346.377 4.348 0 50 EIAA Cc1ccc(CSCCNC(=O)CSc2ccc(C)cc2)cc1 2983130 KPPZOHNJYQKTTI-UHFFFAOYSA-N 345.533 4.445 0 50 EIAA FC(F)(F)c1nc(N2CCOCC2)sc1-c1ccc(Cl)cc1 4825445 CHMLOZLFWRAGNK-UHFFFAOYSA-N 348.777 4.319 0 50 EIAA C[C@@H](NCCCCc1ccccc1)[C@H](O)c1ccc2c(c1)CCS2 6036932 FJLRGFADCXTJNV-IERDGZPVSA-N 341.520 4.369 0 50 EIAA in-man c1ccc(OC2CCCC2)c(CN2CCC[C@@H](N3CCCC3)C2)c1 23372921 POEKYZFOASKQSP-LJQANCHMSA-N 328.500 4.068 0 50 EIAA c1ccc2c(c1)CC(N1CCC[C@H](NCc3cc4ccccc4o3)C1)C2 39364517 ALIREJNBQSBZQT-FQEVSTJZSA-N 346.474 4.154 0 50 EIAA O=C(O)c1ccccc1[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)C1 72165694 DPVPMDVZDPYIJJ-MRXNPFEDSA-N 348.402 4.029 0 50 EIAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCC(F)(F)F)cc1 77407116 RSSKKHOEBDHICC-MRXNPFEDSA-N 342.405 4.144 0 50 EIAA Clc1ccccc1[C@H]1CCN(c2nccc(-c3ccccn3)n2)C1 96132388 AVYZUFWTUQZLJN-AWEZNQCLSA-N 336.826 4.186 0 50 EIAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCCC2)c1 101664948 ITDWWELSBGGRPZ-USNOLKROSA-N 347.458 4.486 0 50 EIAA CCN(Cc1cc(Cl)cc(OC)c1OC)[C@@H]1CCOC(C)(C)C1 102537569 IBAICDOMYCLAAG-OAHLLOKOSA-N 341.879 4.137 0 50 EIAA C[C@@H](c1nc(-c2ccccc2)cs1)N(C)Cc1ncc(Cl)n1C 170602816 JIYQYCGLUCZERG-LBPRGKRZSA-N 346.887 4.390 0 50 EIAA CCc1ccc([C@@H]2COCCN2C[C@@H]2CCC3(CCCCC3)O2)o1 170604679 XSLFRLVTTYVSDH-ROUUACIJSA-N 333.472 4.097 0 50 EIAA OC[C@H]1CCCC[C@@H]1Nc1ncnc2sc(-c3ccccc3)cc12 170636473 NLCLRTRBEQXZQN-ZBFHGGJFSA-N 339.464 4.321 0 50 EIAA Cc1cc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)no1 172013101 RPXDRFOHCWTKTH-KRWDZBQOSA-N 346.839 4.146 0 50 EIAA C[C@@H](c1cccnc1)N(C)CCc1cc(Cl)c2c(c1)OCCCO2 179626131 LFQYHQIMQAJREG-AWEZNQCLSA-N 346.858 4.132 0 50 EIAA C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(C)Cc1cscn1 195177170 UPWHYMMBABGKSI-AWEZNQCLSA-N 331.485 4.041 0 50 EIAA CC(C)(C)N(Cc1ccccn1)C(=O)c1cc(F)cc2cccnc12 253416620 RVPUFDYSUMRXME-UHFFFAOYSA-N 337.398 4.210 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CCC[C@H]1/C=C/c1ccccc1 253433169 STXUVPZYKUDEST-FLVLSHQESA-N 338.455 4.253 0 50 EIAA CC[C@H]1C[C@@H](CC(=O)NCc2nc(-c3ccccc3)cs2)CCO1 272722123 AGLAZOCELLDHRM-HOCLYGCPSA-N 344.480 4.022 0 50 EIAA C[C@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C(F)F)nc1 657933273 QILVBNFPFCEJQT-OLZOCXBDSA-N 343.381 4.012 0 50 EIAA CCc1c(NC(=O)N2CC[C@H](C)C3(CCC3)C2)cnn1CC(C)C 678467517 SLRSLNZVMOYLPJ-HNNXBMFYSA-N 332.492 4.146 0 50 EIAA CC(C)(C(=O)COc1ncncc1-c1ccccc1)c1ccccc1 888095936 FQAVQUCNUYNUNA-UHFFFAOYSA-N 332.403 4.069 0 50 EIAA c1ccc2c(c1)OC[C@H]2CNCc1cnc(C2CCCCC2)s1 952845978 XHGBHJFAXOLKSW-OAHLLOKOSA-N 328.481 4.457 0 50 EIAA CCCc1cc(CNCc2cnc(-c3cccc(OC)c3)s2)on1 952978797 ZTZQFMDKUPUPJP-UHFFFAOYSA-N 343.452 4.049 0 50 EIAA CC[C@@H]1c2ccccc2CCN1C(=O)c1cnn(CC2CCCC2)c1 1444142978 ZEZVKVPDHOHJHR-HXUWFJFHSA-N 337.467 4.223 0 50 EIAA Cc1cc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccs2)cc2nc[nH]c12 1875408562 ZGCAOGOPYMWKDR-LIRRHRJNSA-N 337.448 4.084 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CC[C@H](c4ccccc4)[C@H](O)C3)oc2c1 2100539556 NXJDGPQQCGRVDB-RTBURBONSA-N 349.430 4.040 0 50 EIAA CN(Cc1cnn(-c2ccccc2F)c1)Cc1cccc2[nH]ccc12 2325738348 ROHKHQBLRFALFK-UHFFFAOYSA-N 334.398 4.125 0 50 EIAA O=C(Nc1nc2ccccc2s1)c1ccc(Br)cc1 121370 ZENZLVABFRDYLF-UHFFFAOYSA-N 333.210 4.311 0 50 EIAA CCOc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1Cl 384727 NWUSWVQVPQQPCB-UHFFFAOYSA-N 339.844 4.102 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1 444554 VXRNZZQITRRJGV-UHFFFAOYSA-N 329.359 4.071 0 50 EIAA O=C(NCCN1CCCc2ccccc21)Nc1cccc2ccccc12 492771 QSBRCPGMAKKMCD-UHFFFAOYSA-N 345.446 4.414 0 50 EIAA CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 588415 FWUNORGOHJNFHH-CQSZACIVSA-N 325.408 4.420 0 50 EIAA COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1OC 610278 NJBYHKDORQODGK-UHFFFAOYSA-N 340.301 4.367 0 50 EIAA COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)c1C 619148 FLDRWRPKWDYQPW-UHFFFAOYSA-N 339.844 4.075 0 50 EIAA O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)Cc1ccccc1-2 1125349 SBVPWGPTDKGGMP-UHFFFAOYSA-N 339.391 4.198 0 50 EIAA CCCCCC(=O)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl 2702030 XWCFDPIVYVFZTA-ZDUSSCGKSA-N 338.662 4.458 0 50 EIAA O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1 2722792 UTSHGZQBIUTCMS-UHFFFAOYSA-N 335.388 4.107 0 50 EIAA O=C(NCCSCc1ccco1)c1ccc(Cl)cc1Cl 2989320 BPCQYVWFESPSJC-UHFFFAOYSA-N 330.236 4.250 0 50 EIAA CCCC[C@H](CC)C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)CCCC 4894204 NQBVGWKSYOLZMJ-IKGGRYGDSA-N 326.525 4.040 0 50 EIAA COC(=O)/C=C/c1ccc(OCCCSc2ccccc2)cc1 5669506 JJZOIRJICXJDRC-JLHYYAGUSA-N 328.433 4.434 0 50 EIAA CC(C)COc1ccc(-c2nnc(S)n2-c2ccccc2)cc1 6213946 KPKZZNORBQLNMO-UHFFFAOYSA-N 325.437 4.258 0 50 EIAA C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 6703270 SXMMEOVYOLWFFJ-CQSZACIVSA-N 334.375 4.023 0 50 EIAA O=c1[nH]c2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1 10315374 ORHSAEUEUGOHMC-UHFFFAOYSA-N 345.402 4.047 0 50 EIAA C=C1C[C@H]2[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]3(O)C(C)=O)[C@]2(C)CCC(=O)C=C12 12379270 JKPFAFOFFYRBDB-CJBPLUAASA-N 342.479 4.005 0 50 EIAA COc1cccc(C[C@@]2(CO)CCCN(CCCC3CCCC3)C2)c1 12589899 QCLKEQMJODSKTP-QFIPXVFZSA-N 345.527 4.283 0 50 EIAA CCCc1cc(C(=O)Nc2ccc(Br)cn2)cs1 13746824 YSJGSXPGPBDNSC-UHFFFAOYSA-N 325.231 4.110 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1cccs1 22461575 NXGMYSVWZUAQFP-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA COc1nc2ccccc2cc1-c1ccc(-c2nc(C(C)C)no2)cn1 72157286 RGIBDAOWMIBXRH-UHFFFAOYSA-N 346.390 4.479 0 50 EIAA Fc1ccc2nc(CN3CCCC[C@H]3CCN3CCCC3)ccc2c1 77470868 CTTWJLSHUFTWHK-FQEVSTJZSA-N 341.474 4.214 0 50 EIAA COCC1(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)CCC1 82138700 IIMNCZOJJSTGMD-UHFFFAOYSA-N 339.435 4.254 0 50 EIAA CC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(C)no1 92037175 NPAHONVGQVWPBP-ZDUSSCGKSA-N 345.786 4.173 0 50 EIAA Cc1ccccc1CN[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 128433700 FKRDKACRRHGBPC-MRXNPFEDSA-N 346.356 4.011 0 50 EIAA CC(=O)c1cc(C(=O)N(Cc2ccccn2)C2CCCCC2)cs1 215903707 SYMCCCRVXBGIMH-UHFFFAOYSA-N 342.464 4.321 0 50 EIAA C[C@H](Cc1cnccn1)NC(=O)Nc1ccc(C2CCCCC2)cc1 299796968 QITCAFZXXRCGMH-OAHLLOKOSA-N 338.455 4.277 0 50 EIAA Cc1ccc2nc([C@H]3CCCN3c3ncnc4sccc34)[nH]c2c1 675112642 PEFNTGHJNDVVDV-OAHLLOKOSA-N 335.436 4.218 0 50 EIAA O[C@H](CN1CC[C@H](CSc2ccccc2)C1)c1c(F)cccc1F 743860011 OGDKVGUIRDBRTL-KBXCAEBGSA-N 349.446 4.112 0 50 EIAA CP(C)(=O)c1ccc(-c2nc(-c3ccc4c(c3)CCC4)no2)cc1 904078915 VZABBMRKDIFOLG-UHFFFAOYSA-N 338.347 4.140 0 50 EIAA O=C(Nc1cc(-c2ccc(F)cc2)no1)[C@@H]1C[C@@H]1c1cccs1 1177531464 WYEXVZYRLSCPRP-QWHCGFSZSA-N 328.368 4.284 0 50 EIAA CC(C)c1nc(O)ccc1C(=O)N1CCC2(C=Cc3ccccc32)CC1 1875239952 AXZWDAVPVYAILA-UHFFFAOYSA-N 348.446 4.111 0 50 EIAA Fc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1 614794 VJFCUJMKCQVGTP-UHFFFAOYSA-N 349.159 4.217 0 50 EIAA C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccncc1 1054580 BJAUMUDTXQRDLB-CQSZACIVSA-N 330.387 4.197 0 50 EIAA CCN(CC)C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 2830150 CDZZPKDZQAWDMJ-UHFFFAOYSA-N 331.799 4.412 0 50 EIAA CCOC(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 2838706 VGYFMAGLCPMKGR-UHFFFAOYSA-N 343.448 4.293 0 50 EIAA Brc1ccc(OCCCCCN2CCCCC2)cc1 2880464 KVHUCMHFJPVQQW-UHFFFAOYSA-N 326.278 4.484 0 50 EIAA Cc1cc(Cl)c(OCCCN2CCCC2)c(Br)c1 3003283 DTHKTGUSBKGECI-UHFFFAOYSA-N 332.669 4.276 0 50 EIAA CC(C)(C)NCc1cc(Br)ccc1OCc1cccnc1 12381485 GOFLVHKTAKFLMK-UHFFFAOYSA-N 349.272 4.311 0 50 EIAA COc1ccc(C[C@@H](C)NCc2cccc(Br)c2)cc1 19637249 BRGAIGSKBSRAFP-CYBMUJFWSA-N 334.257 4.179 0 50 EIAA O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(O)cc1 20356336 WOHFQACLNNVKQX-SXGWCWSVSA-N 336.372 4.114 0 50 EIAA COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2onc(C)c12 20605635 XSRBAACDKFXPHQ-UHFFFAOYSA-N 337.162 4.292 0 50 EIAA Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2nc1C 55540908 VSYWOCDAYOGRAN-HXUWFJFHSA-N 349.409 4.363 0 50 EIAA c1ccc(NCCn2cnc(-c3ccccc3)c2-c2cncnc2)cc1 65409776 XCXPJFTYEFPOIC-UHFFFAOYSA-N 341.418 4.119 0 50 EIAA Oc1ccc(CN2CCC([C@H](O)c3cccs3)CC2)c(Cl)c1 67691268 ZTCWZJWPPGVEDI-KRWDZBQOSA-N 337.872 4.053 0 50 EIAA Cc1ccc(N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)nn1 91943851 URONLIRQSXQRIJ-GOSISDBHSA-N 333.439 4.077 0 50 EIAA CN(C)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 170637475 LVAAWWYKLOMOOV-DLBZAZTESA-N 329.831 4.084 0 50 EIAA COc1cccc(-c2cccc(C(=O)N(C)[C@@H](C)c3ccon3)c2)c1 214994772 OUYJWTRBEQRISP-AWEZNQCLSA-N 336.391 4.183 0 50 EIAA CCC(CC)n1ncc(C(=O)Nc2cc(OC)ccc2Cl)c1C 408513667 JGASKKRAJBNOAU-UHFFFAOYSA-N 335.835 4.467 0 50 EIAA O=C(CCc1ccncc1)N1CCCC[C@@H]1CCc1cccs1 952978590 AYTZNKNZAZVZJG-QGZVFWFLSA-N 328.481 4.090 0 50 EIAA Cc1cccc(-c2ccc(CN(C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)cc2)c1 1704299677 QFGCRVPBNXMANC-BHIFYINESA-N 348.490 4.009 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccc3nc(C)sc3c1)C2 1704339779 OCKCZRVAYPRDDB-MJGOQNOKSA-N 344.480 4.026 0 50 EIAA COc1cccc([C@H](CN[C@H]2CCc3ccsc32)N2CCCC2)c1 1875261230 UTQNUSJZLMYDBX-OALUTQOASA-N 342.508 4.171 0 50 EIAA CCc1ccc(OS(=O)(=O)c2cc(C(C)C)c(C)cc2OC)cc1 1875317859 LAGXVWZTYRXNIL-UHFFFAOYSA-N 348.464 4.457 0 50 EIAA O=C(N=c1[nH]oc2c1CCCC2)C1(CC2CCCC2)CCCCC1 1875357313 BGBSTTZQPPAMOJ-UHFFFAOYSA-N 330.472 4.445 0 50 EIAA CC1(C)CO[C@H](C(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)C1 1875358151 LIMACIVEWXPWDA-SFTDATJTSA-N 349.474 4.170 0 50 EIAA CN(Cc1cccc(Cl)c1Cl)C1=NC[C@@H](c2ccccc2)N1 2325864479 PVTSCSMVRXJVNP-HNNXBMFYSA-N 334.250 4.126 0 50 EIAA O=C([C@H]1CCNC12CCCC2)N1CC[C@H](c2cccc3ccccc23)C1 2325870383 VMWXYTSKHFSKBA-GHTZIAJQSA-N 348.490 4.078 0 50 EIAA CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 35635 MKNWTOFJRUXOLJ-UHFFFAOYSA-N 335.787 4.008 0 50 EIAA Cc1cc(-c2ccccc2)nc2cc(C(=O)N3[C@H](C)CCC[C@H]3C)nn12 519954 GSTQYWKPVKSOKS-HUUCEWRRSA-N 348.450 4.108 0 50 EIAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(F)cc1 1125614 YDOXYWRBLKBMSV-CQSZACIVSA-N 329.415 4.207 0 50 EIAA C[C@H]1CCCN(CCOCCOc2ccc(Cl)c(Cl)c2)C1 2825131 XSKHKJBWMOZMEE-ZDUSSCGKSA-N 332.271 4.121 0 50 EIAA CCc1ccc(OCCOCCOc2cccc3cccnc23)cc1 2985456 JUUQDVLKFMDVQK-UHFFFAOYSA-N 337.419 4.272 0 50 EIAA CCCCSc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 3668664 WVFOHLNVTVGIKM-UHFFFAOYSA-N 346.477 4.140 0 50 EIAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1occ2c1OCCO2 4708336 OKHYKIQYSUMUKU-UHFFFAOYSA-N 336.347 4.047 0 50 EIAA Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n1 5520659 AIIYXIGIHQOWFB-UHFFFAOYSA-N 340.386 4.253 0 50 EIAA Cc1cccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 7720167 GLZQPNVGGSPINF-UHFFFAOYSA-N 349.434 4.486 0 50 EIAA O=C(NC[C@H]1CCCN(CCCC2CCCC2)C1)c1ccc(F)cc1 12453826 AYJQCQCOPGDUCF-GOSISDBHSA-N 346.490 4.238 0 50 EIAA CC(C)C[C@H](C)NC(=O)c1ccccc1C(=O)N[C@H](C)CC(C)C 15776929 CZQFDOWOGQWTSG-IYBDPMFKSA-N 332.488 4.015 0 50 EIAA O=C(CCC1CCCCC1)NC1CCN(Cc2ccccc2)CC1 16602324 SKXAYPNVGUXEJS-UHFFFAOYSA-N 328.500 4.128 0 50 EIAA Clc1cccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c1 19360189 BFRBUBBAYOZRQM-UHFFFAOYSA-N 339.870 4.139 0 50 EIAA Cc1nc([C@@H](C)N(C)Cc2nc(-c3cccs3)no2)c(C)s1 23338826 MIFPXESWLUPLNI-SECBINFHSA-N 334.470 4.064 0 50 EIAA O=C(c1ccc(CN2CCCCCC2)cc1)N1CCc2ccccc2C1 38835919 QECPIQXKAZWEPV-UHFFFAOYSA-N 348.490 4.261 0 50 EIAA Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nn1 65364183 AFCKYVLIRYSYKE-UHFFFAOYSA-N 337.358 4.312 0 50 EIAA CCC[C@@H](C)c1c(-c2ccccc2)ncn1Cc1nnc2n1CCC2 65409885 ZGHBPTJPJABHPO-OAHLLOKOSA-N 335.455 4.040 0 50 EIAA CCc1nc(C)c(-c2nccn2Cc2cccc(C(F)(F)F)c2)[nH]1 67588645 LZJLSLMTQXKPRJ-UHFFFAOYSA-N 334.345 4.211 0 50 EIAA c1cnn(CCC2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)c1 215625341 DGBPKTLXPJHIAB-SFHVURJKSA-N 345.512 4.098 0 50 EIAA CC1(C)CCc2ccccc2[C@H](NC(=O)Cc2c[nH]c3ncccc23)C1 225656235 PWLAYXQFSRBIFJ-LJQANCHMSA-N 347.462 4.325 0 50 EIAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](C(F)(F)F)C1 229679908 FAYQCTPDKHVNEW-WCQYABFASA-N 325.334 4.072 0 50 EIAA CC1(C)[C@H]2C[C@@H](Sc3nnn(-c4ccccc4)n3)[C@@](C)(Cl)C[C@H]21 230188483 SSQSSYIXOVMRJG-CFAJVAMVSA-N 348.903 4.187 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(C(F)(F)F)ccc1F 263536953 ZVSPQHSVBITLPQ-VQISRLSMSA-N 345.336 4.062 0 50 EIAA CSCCCN(C)C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 281520926 XZZCIXXXKZGRHU-UHFFFAOYSA-N 348.472 4.077 0 50 EIAA O=C(NCCOc1ccccc1F)N1CCCCC[C@H]1c1ccco1 426597368 GMIITBAJTAANRI-INIZCTEOSA-N 346.402 4.124 0 50 EIAA Cc1csc(C2(NC(=O)c3cnc4ccccc4c3)CCCC2)n1 654969379 CIBZZXXQPSKDPN-UHFFFAOYSA-N 337.448 4.199 0 50 EIAA CC(C)c1nsc(CN(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 930635091 YRXUBMUASWNNQT-JTQLQIEISA-N 349.891 4.384 0 50 EIAA CC1(C)C[C@]1(c1cccs1)c1nc(C2CCCC2)nn1CCCO 1857681381 BWZQNNPOGVKBKQ-IBGZPJMESA-N 345.512 4.096 0 50 EIAA Cc1ccc([C@]2(O)CCN(Cc3ncc(-c4ccccc4C)o3)C2)cc1 1875320516 SDWSXPDJWXZXMB-QFIPXVFZSA-N 348.446 4.052 0 50 EIAA CN(C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1 95 NUNIWXHYABYXKF-QGZVFWFLSA-N 334.257 4.117 0 50 EIAA world O=C(Nc1c(Cl)cccc1Cl)OCc1ccc2c(c1)OCO2 398011 MQVBTDSOYVOCTG-UHFFFAOYSA-N 340.162 4.471 0 50 EIAA Cc1ccc(C)c(C(=O)COC(=O)c2cccc(Br)c2)c1 454429 RGGQWBPNGYDPSO-UHFFFAOYSA-N 347.208 4.106 0 50 EIAA O=C(OCC(=O)c1ccccc1Cl)c1cc2ccccc2cc1O 460782 JBWIWDXGTIELIZ-UHFFFAOYSA-N 340.762 4.239 0 50 EIAA C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)[C@@H]1CCCO1 477178 QKVDQSBBZZFHKS-BTYIYWSLSA-N 346.430 4.199 0 50 EIAA CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(C(C)=O)c2)cc1 611269 NDGDHTINJWGVGJ-CYBMUJFWSA-N 342.464 4.336 0 50 EIAA Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(F)cc1 1398621 BGVKBUUIIGAUDB-UHFFFAOYSA-N 347.802 4.492 0 50 EIAA CCCCCOc1ccc(-c2n[nH]c(=O)cc2NCCC(C)C)cc1 2506167 TXVZASBDLRFAGW-UHFFFAOYSA-N 343.471 4.464 0 50 EIAA O=C1S/C(=C\c2cccs2)C(=O)N1CCCc1ccccc1 2813091 FCJVIBAXNUJYNY-QINSGFPZSA-N 329.446 4.417 0 50 EIAA Cc1cc(O)n(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)n1 6556537 MTKMURLUJHAMEV-UHFFFAOYSA-N 328.375 4.010 0 50 EIAA COc1cc(NC(=O)c2ccccc2SC)c(OC)cc1Cl 6703854 OUEWAYVQWYLNEH-UHFFFAOYSA-N 337.828 4.331 0 50 EIAA CCc1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 6714829 QCOWDQGQNCRMSE-UHFFFAOYSA-N 343.858 4.257 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)c2ccccc2OCC)c1 9229981 DJUNZEZNXQGMRS-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA COC[C@H](C)NCc1cc2cc(C)ccc2nc1-c1ccc(F)cc1 11995930 MMNAVASCNLZGFW-HNNXBMFYSA-N 338.426 4.474 0 50 EIAA CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 12404143 PLLAMBQXFBSSSI-UHFFFAOYSA-N 345.830 4.466 0 50 EIAA CCCCC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O)O 12495891 GFNYAPAJUNPMGH-GMKBZGQBSA-N 338.488 4.382 0 50 EIAA endogenous,in-man O=c1c2c3c(sc2[nH]c(=S)n1Cc1cccs1)CCCC3 17070543 JXRYEPWKRMEYHK-UHFFFAOYSA-N 334.491 4.109 0 50 EIAA CCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1 67805184 SXXXGCWFYPYSSI-UHFFFAOYSA-N 331.441 4.202 0 50 EIAA Cc1ccc(Oc2ncccc2CNc2cc(C(C)C)ncn2)cn1 67819930 KGPLVECJDXIAPR-UHFFFAOYSA-N 335.411 4.103 0 50 EIAA O=C(c1ccccc1Oc1ccccc1)N1CCC(c2ncc[nH]2)CC1 72454679 QVVFKYNEKFMRHO-UHFFFAOYSA-N 347.418 4.222 0 50 EIAA COc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 91364882 MTLOHQJCXUUVFZ-MRXNPFEDSA-N 344.480 4.088 0 50 EIAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)[C@@H](C)c1nccs1 91830033 FTCBYXGGUNDYPI-AWEZNQCLSA-N 341.480 4.312 0 50 EIAA Cc1ccc(C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C)cc1 100617628 JEPUGZUKMWWDRO-CXAGYDPISA-N 327.811 4.017 0 50 EIAA C1=C[C@@H]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1 169817505 SHHIQDXWGMPYFB-XMMPIXPASA-N 340.542 4.267 0 50 EIAA Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1cnc(C(C)(C)C)s1)CC2 170633482 ZBSXWKVOVSUMSK-JXMROGBWSA-N 345.420 4.253 0 50 EIAA COc1cccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c1O 170642088 RHYLZNMFRSRZNO-QGZVFWFLSA-N 325.408 4.158 0 50 EIAA O=C(Nc1cccnc1)Nc1cccc(NC(=O)C2CCCCC2)c1 176435059 OEKSICQWQQIEBP-UHFFFAOYSA-N 338.411 4.244 0 50 EIAA CC(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ncc[nH]1 225837996 IVZGRIQJMIMVFX-LBPRGKRZSA-N 327.215 4.235 0 50 EIAA C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O 239038941 FDZKCQHNVWZCIJ-GZBSGOROSA-N 345.442 4.172 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]32)C1 253498111 MENYRVLDWKVWLK-VOVZHTNUSA-N 334.500 4.322 0 50 EIAA CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(-c2cscn2)cc1 299774644 IMMCRYNHROKJRJ-INIZCTEOSA-N 345.468 4.233 0 50 EIAA CC(C)(C)OC(=O)n1cccc1C(=O)OCc1ccc(Cl)cc1 575442777 ZVWSVEQQFZWMIB-UHFFFAOYSA-N 335.787 4.282 0 50 EIAA CCc1ccc(-c2n[nH]c(SCC[C@H](O)c3ccccc3)n2)cc1 1323543876 BKSDYHGGQLRJCC-KRWDZBQOSA-N 339.464 4.250 0 50 EIAA CCOc1cc(C)c(S(=O)(=O)Oc2cc(C)ccc2C)cc1C 1776004592 VPXDOZKKEVCQPM-UHFFFAOYSA-N 334.437 4.087 0 50 EIAA C[C@H](c1cccc(-c2ccc(CN(C)C)cc2CO)c1)N1CCCC1 2356158749 XXJUNLBTAOGYLL-QGZVFWFLSA-N 338.495 4.064 0 50 EIAA Cc1cc(C)c(C(N)=O)c(Nc2ccc(Oc3ccccc3)cc2)n1 198135 KLNRJWZZMRVORP-UHFFFAOYSA-N 333.391 4.333 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)CCCC2 199455 RQJLDSHSQPYIBG-UHFFFAOYSA-N 339.420 4.238 0 50 EIAA Cc1oc2ccc(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C 276971 XUTJAKJBFJPXPM-UHFFFAOYSA-N 328.320 4.119 0 50 EIAA CCOc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1 351483 LBRFXMSIYZNWDJ-UHFFFAOYSA-N 332.359 4.044 0 50 EIAA CC(C)c1ccc(OCC(=O)NC2CCCC2)c(Br)c1 470113 DKKKVKWMGHHPJE-UHFFFAOYSA-N 340.261 4.010 0 50 EIAA O=C(Nc1ccc2c(c1)OCO2)c1ccccc1CCc1ccccc1 1064741 LYHVDTZEFIYSHB-UHFFFAOYSA-N 345.398 4.453 0 50 EIAA Brc1c(I)ccc2ccccc12 1631235 JUMJPYBBRSXJBU-UHFFFAOYSA-N 332.966 4.207 0 50 EIAA CCCCCNc1ncnc2c1cnn2Cc1ccc(Cl)cc1 2520453 DRZJMPYNSZDOHS-UHFFFAOYSA-N 329.835 4.130 0 50 EIAA CCc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3)c2C)cc1 2713327 KDSLQNHDZKZZSI-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA CCCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 2855528 RDPFLYPKHJKCCH-UHFFFAOYSA-N 336.435 4.014 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2C)CC1 7793059 RMBIJYVPULFERT-UHFFFAOYSA-N 334.419 4.012 0 50 EIAA O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C1CCCCC1 8567396 MRBPDWDVIIYBHI-OAHLLOKOSA-N 337.847 4.417 0 50 EIAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)[C@H]1CCCO1 12384999 LLCUSVLXASIFOR-XFQXTVEOSA-N 336.435 4.144 0 50 EIAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 13399416 XNJOZXWLEFEFEX-FLIUJYPFSA-N 334.500 4.133 0 50 EIAA biogenic COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc(OC)c1 36620490 DLDNFCCPEXOJHR-LJQANCHMSA-N 340.423 4.381 0 50 EIAA CCN(C/C=C/c1ccccc1)C(=O)c1ccc([C@@H]2CCCN2)s1 55153984 RYRKAELOCSVUKZ-JEJOPICUSA-N 340.492 4.348 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2cc3sccc3[nH]2)cc1Cl 55324816 CUUXJDCRXLFZPT-UHFFFAOYSA-N 347.827 4.484 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@H]1c1ccccn1 72424828 KRCGRRPOVRYERM-HNNXBMFYSA-N 329.469 4.337 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3c3cc(C)no3)c2c1 77287685 SZBHOQNPDQGMDY-LJQANCHMSA-N 349.434 4.379 0 50 EIAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccs2)cc1 77469991 NHZPFAVJOMSYAJ-LJQANCHMSA-N 342.508 4.106 0 50 EIAA CC[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1nc(C)c(C)s1 82091451 ASTADGHVDXAPJF-AWEZNQCLSA-N 341.436 4.296 0 50 EIAA COCOCCCC1=C[C@@]2(C)[C@H](O[C@@H]3CCCCO3)C[C@H]1C2(C)C 104308359 CQTREKVZRJXWPL-MLYOOKFZSA-N 338.488 4.291 0 50 EIAA O=C(C[C@H](c1cccs1)n1cccc1)NCCc1ccc(F)cc1 170607838 AOUAXHFDKFBTOZ-QGZVFWFLSA-N 342.439 4.027 0 50 EIAA CCc1c(NC(=O)c2ccncc2Cl)cnn1-c1ccccc1C 192136294 SYLGQOWQUICBIX-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA Cn1ccnc1[C@@H](NC(=O)c1ccccc1-c1ccc(F)cc1)C1CC1 218970791 DFSBYJXHTPUTNC-IBGZPJMESA-N 349.409 4.107 0 50 EIAA CCN(C(=O)c1cc(C)nc(C(F)(F)F)n1)c1ccccc1Cl 274963688 ARTLXVFQWVMQPD-UHFFFAOYSA-N 343.736 4.124 0 50 EIAA Cc1cc(-c2csc(NC(=O)[C@@H]3CCSC3)n2)c(F)cc1F 475057734 GOSOFQAUKLDUGN-SECBINFHSA-N 340.420 4.088 0 50 EIAA COc1cc(C)nc(N[C@H](C)c2ccc(Oc3cccnc3)cc2)n1 673488821 FGRHSEJWZVEBRN-CQSZACIVSA-N 336.395 4.154 0 50 EIAA CC(C)Oc1ccc(NC(=O)[C@H](c2ccncc2)C(C)C)c(F)c1 952845182 GWKBONUHGWTFPP-SFHVURJKSA-N 330.403 4.386 0 50 EIAA CSCc1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn12 1775972271 QOWHPFYTXWBBPC-UHFFFAOYSA-N 338.461 4.383 0 50 EIAA CC[C@H](NC(=O)C[C@@](C)(O)c1ccccc1)c1cccc2cc[nH]c12 1875320313 PCHRGARDVPPVNW-GHTZIAJQSA-N 336.435 4.033 0 50 EIAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccs1 170904 XEBRNERQSCQYKA-UHFFFAOYSA-N 334.404 4.043 0 50 EIAA COc1ccc2nc(NC(=O)C[C@@H](C)c3ccccc3)sc2c1 860493 WVYNMIOBQNQHKR-GFCCVEGCSA-N 326.421 4.437 0 50 EIAA COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1Cl 2873249 OWILVWXBJKCZOO-UHFFFAOYSA-N 339.844 4.273 0 50 EIAA Cc1c(C)c2cc(Cl)c(OC(=O)c3ccccc3)cc2oc1=O 6690907 ZBESYFBDIGRAOQ-UHFFFAOYSA-N 328.751 4.282 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1nnc(/C=C/c2ccccc2)s1 9334212 MIFUMXQTEOORCG-IZZDOVSWSA-N 340.383 4.492 0 50 EIAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1 12299827 VSQLXOHWYRWRCV-QFIPXVFZSA-N 342.446 4.347 0 50 EIAA CCOc1ccc(-c2nc(-c3cccnc3Cl)no2)cc1OCC 12412245 UECCMYFLPZWPRZ-UHFFFAOYSA-N 345.786 4.249 0 50 EIAA CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccs3)nc21 20605452 MLEMUJNBHPIWPU-UHFFFAOYSA-N 339.392 4.140 0 50 EIAA Fc1cnccc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71774655 ITUWYMVJGZSMJA-HNNXBMFYSA-N 327.186 4.105 0 50 EIAA Cc1nccn1C[C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 72172751 QVUUMSSGKDDHOF-FQEVSTJZSA-N 346.478 4.166 0 50 EIAA CC(C)c1nc(CN(C)Cc2cnn(-c3cccc(F)c3)c2)cs1 77299538 LOATWTSTQCNSKT-UHFFFAOYSA-N 344.459 4.223 0 50 EIAA CN(Cc1cc(C2CC2)on1)C(=O)c1csc(-c2cccs2)n1 82148036 IXLSBPZWXOGLHX-UHFFFAOYSA-N 345.449 4.009 0 50 EIAA COc1ccccc1[C@@H]1C[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 109536966 KLBZFDXRRPJORR-QWHCGFSZSA-N 328.318 4.295 0 50 EIAA O=C(Nc1cccc(CCC(F)(F)F)c1)[C@H]1OCCc2ccccc21 124205804 AFBYASDKIWADIC-KRWDZBQOSA-N 349.352 4.434 0 50 EIAA CN(Cc1cccc(OC2CCCC2)c1)Cc1nccn1C(F)F 154979810 MFUNTLIWDDMDPK-UHFFFAOYSA-N 335.398 4.232 0 50 EIAA O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1cncc(F)c1 160370673 ZVNQBKSTQQARFZ-UHFFFAOYSA-N 328.293 4.418 0 50 EIAA CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCOC(C)(C)C3)cc2s1 163538907 BPCJKNADKYDNML-CYBMUJFWSA-N 347.484 4.499 0 50 EIAA CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(-n2nccn2)cc1 170637513 XTHOYGJWQUGJEP-GOSISDBHSA-N 341.459 4.090 0 50 EIAA O=C(CSC1=Nc2ccccc2C1)Nc1cccc2c1N=S=N2 172488807 COAAKQXGKILKOD-UHFFFAOYSA-N 340.433 4.371 0 50 EIAA O=C(NCc1ccsc1)N(C1CC1)[C@@H]1CCCc2ccccc21 175364923 BFMJANKGQROYMC-GOSISDBHSA-N 326.465 4.500 0 50 EIAA Brc1ccc(CN[C@@H](c2ccccc2)c2nccs2)o1 190908664 KFMUKBDBTQQLKO-AWEZNQCLSA-N 349.253 4.378 0 50 EIAA Fc1ccc(CN2CCO[C@@H](c3ccco3)C2)c(Cl)c1Cl 225465535 SISLUSNWKFJSSM-CYBMUJFWSA-N 330.186 4.299 0 50 EIAA CC(=O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1 225828083 KLMBKUWIWGELDM-UHFFFAOYSA-N 347.296 4.036 0 50 EIAA O=C(O)c1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)o1 238042284 KOFMHCWFACSSHC-UHFFFAOYSA-N 343.285 4.175 0 50 EIAA Cc1cc(NC(=O)c2ccccc2CC(C)C)ccc1C(=O)N(C)C 252488825 IZTVIRCFMIPUNS-UHFFFAOYSA-N 338.451 4.148 0 50 EIAA C[C@@H](Oc1ccccc1NCc1nnc2n1CCCC2)c1ccccc1 278651285 DHKCZMCPVDQTMJ-MRXNPFEDSA-N 348.450 4.367 0 50 EIAA Cc1cc(=O)c(C(=O)N2CCC[C@H](C)c3ccccc32)cn1C1CC1 283375091 JSTMJZRCDNUEGM-AWEZNQCLSA-N 336.435 4.036 0 50 EIAA Cc1c(Cl)ccc(NC(=O)N(C)C[C@@H]2CCCCO2)c1Cl 299774421 CXURITGDEZDWFZ-NSHDSACASA-N 331.243 4.335 0 50 EIAA COc1cc(NC(=O)N[C@H](CC(C)C)c2cccnc2)ccc1C 299798947 TYUCGCTTZUREEC-QGZVFWFLSA-N 327.428 4.308 0 50 EIAA COCCCN(Cc1ccc(C)cc1)C(=O)N[C@H](C)c1cccs1 426401731 HEAASZDAPCACED-MRXNPFEDSA-N 346.496 4.366 0 50 EIAA c1cnc(-c2ncc(CN(CC3CCCCC3)C3CC3)s2)cn1 2325719588 PISZDPQQEDGJBO-UHFFFAOYSA-N 328.485 4.145 0 50 EIAA CC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 148012 FJKRCBVJIUJMSB-UHFFFAOYSA-N 344.750 4.207 0 50 EIAA biogenic,in-vitro CC1(C)C[C@H]([C@H](CC(=O)Nc2nccs2)c2ccccc2)CCO1 550249 BIGDMJGRSNELTA-HZPDHXFCSA-N 344.480 4.461 0 50 EIAA CC1=CC(C)(C)N(C(=O)c2ccc(F)cc2)c2cc3c(cc21)OCO3 1432194 ORUDRXPDWGMAOM-UHFFFAOYSA-N 339.366 4.397 0 50 EIAA CCCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C)c1C 2101753 RVVMXQWDTBYVJO-UHFFFAOYSA-N 335.400 4.323 0 50 EIAA Cc1ccc(-n2ncc3c(N[C@H](C)c4ccccc4)ncnc32)cc1 4354988 AXFRDGWJMVXSNR-OAHLLOKOSA-N 329.407 4.297 0 50 EIAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccco2)C1 6396168 WFGHWOHVQMGWHC-GFCCVEGCSA-N 346.496 4.394 0 50 EIAA Cc1ccc2c(C)nc(N3CCC[C@H](NC4CCCC4)CC3)nc2c1 12454484 NWQDTIHXYJQQLT-SFHVURJKSA-N 338.499 4.138 0 50 EIAA COc1cc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)ccc1F 12764401 LKXJRTYPFIKUAZ-AWEZNQCLSA-N 339.414 4.179 0 50 EIAA Cc1ccc2occ(CN3CCc4c([nH]c5ccccc45)C3)c(=O)c2c1 19634140 XEQHHCPXXLCBHN-UHFFFAOYSA-N 344.414 4.141 0 50 EIAA O=C(NCCc1ccccc1)N1CCC[C@H]1c1ccc(Cl)cc1 31042451 JLOWAANIVDBKBM-SFHVURJKSA-N 328.843 4.429 0 50 EIAA CC(CN1Cc2ncccc2C1=O)(c1ccccc1)c1ccccc1 65381407 JEOIHUWWLJDDKB-UHFFFAOYSA-N 328.415 4.044 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H](CSC)C3)c2c1 96140186 SZMRWCILFWJSMP-INIZCTEOSA-N 342.508 4.321 0 50 EIAA Cc1nc2ccc(NC(=O)N[C@@H](c3ccccn3)C(C)C)cc2nc1C 96150448 GRIFWFRTOWSXNN-LJQANCHMSA-N 349.438 4.160 0 50 EIAA CC(C)(COCC(F)F)C(=O)Nc1nc2c(s1)CCCCCC2 170604972 UWVMWLWYORIJBP-UHFFFAOYSA-N 346.443 4.049 0 50 EIAA CCCSc1ccccc1NC(=O)N(C)CCc1c(C)n[nH]c1C 299765654 PLOGNSJTYLHJJS-UHFFFAOYSA-N 346.500 4.235 0 50 EIAA O=C(C[C@@H]1CCCC1(F)F)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 931596904 AEDJXNFYMYDXEE-ZDUSSCGKSA-N 346.381 4.113 0 50 EIAA CCN1CCN(c2ccc(NCc3cc4ccccc4[nH]3)cc2C)CC1 2325746883 YVGVNEFXMYBODU-UHFFFAOYSA-N 348.494 4.230 0 50 EIAA O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccccc1 59664 ZOOCKISDWQRWER-HNNXBMFYSA-N 334.238 4.228 0 50 EIAA Cc1ccc(C)c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 342104 DBJYBCFBLHOMPK-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccs1 526232 WNJFIVGBJDQDSS-UHFFFAOYSA-N 331.466 4.327 0 50 EIAA CC1(C)C[C@](CC(=O)N2CCCC2)(c2ccc(Cl)cc2)CCO1 532568 BZLAFTCERFGMIZ-IBGZPJMESA-N 335.875 4.179 0 50 EIAA COC(=O)c1cn(CCOc2ccc(Cl)c(C)c2)c2ccccc12 555876 QJIJPDSOQMWNIK-UHFFFAOYSA-N 343.810 4.469 0 50 EIAA CCC(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12 560800 FDDMVYMPTYAURJ-UHFFFAOYSA-N 326.440 4.073 0 50 EIAA O=C(Nc1ccccc1-c1ccccc1)[C@@H]1COc2ccccc2O1 800469 WOEPEUPWXFJIHW-FQEVSTJZSA-N 331.371 4.132 0 50 EIAA O=C(NC1CCCC1)c1cc(-c2ccc(Cl)cc2Cl)on1 815128 INGNTKMAQQRVRF-UHFFFAOYSA-N 325.195 4.321 0 50 EIAA O=C(Oc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccccc1 2519691 IQHCQDYMDIKLAR-UHFFFAOYSA-N 329.566 4.435 0 50 EIAA CCOC(=O)c1ccc(NCc2ccc(Br)cc2)cc1 4759752 IDAJVDGUSVDZEB-UHFFFAOYSA-N 334.213 4.238 0 50 EIAA COc1cc(CNC(C)C)c(Br)cc1OC1CCCC1 5013862 NJIPGYWUMQPJEH-UHFFFAOYSA-N 342.277 4.277 0 50 EIAA C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Nc1ccc3nccnc3c1)C2 5050014 ZXAOAHPHTKLYRR-IPYPFGDCSA-N 340.496 4.083 0 50 EIAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc1 13594566 NTJAQIVRFUGDAI-CQSZACIVSA-N 345.489 4.205 0 50 EIAA CC(C)C(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 20271481 OXMFAYNLBIEOTQ-CQSZACIVSA-N 335.856 4.144 0 50 EIAA c1ccc(Cn2ccnc2-c2ccc([C@H]3CCCCO3)s2)nc1 67642593 SDPCAMQHYNAKMC-OAHLLOKOSA-N 325.437 4.297 0 50 EIAA Cc1cccc(C(C)(C)C)c1NC(=O)N1CCO[C@@H](C(F)(F)F)C1 71738400 DEGBGQGUOLEGMK-CYBMUJFWSA-N 344.377 4.088 0 50 EIAA COc1ccccc1OC1CN(Cc2ccc(-c3ccccn3)cc2)C1 72129734 OMZISKPGSVOEGH-UHFFFAOYSA-N 346.430 4.020 0 50 EIAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1nccs1 82120846 FXXQYVVMMSTLEK-LLVKDONJSA-N 347.490 4.305 0 50 EIAA Cc1ccc2nc(CCCNC(=O)C[C@@H]3CCc4ccccc43)oc2c1 91270475 SESUPFGSYOJISJ-KRWDZBQOSA-N 348.446 4.305 0 50 EIAA COc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc2n1 97604067 BRZMUMOHQHEGQT-IBGZPJMESA-N 347.418 4.006 0 50 EIAA Fc1cc(NCc2cc(-c3ccccc3)[nH]n2)ccc1-n1ccnc1 121381281 WCWKWUOVYKDTOO-UHFFFAOYSA-N 333.370 4.014 0 50 EIAA COc1ccc(N(C)C(=O)c2[nH]c3ccc(C)cc3c2C)cc1F 155867660 UANOLXFNSMITPE-UHFFFAOYSA-N 326.371 4.209 0 50 EIAA COc1cccc(F)c1NC(=O)N(C)[C@H]1CCCc2nc(C)sc21 186151033 VMSQOHJXUNDUET-ZDUSSCGKSA-N 349.431 4.141 0 50 EIAA CC(=O)c1sc(N(C(C)=O)c2cccc(C(F)(F)F)c2)nc1C 221621206 AJCFAPFLXPJZEK-UHFFFAOYSA-N 342.342 4.358 0 50 EIAA Fc1ccc(CN2CCC(n3ccnc3)CC2)c(Cl)c1Cl 253430738 FSSFFUKCCHVZJT-UHFFFAOYSA-N 328.218 4.166 0 50 EIAA Cc1csc(C2(NCc3ccc(C)c(Cl)c3)CCOCC2)n1 253432277 YAAJDAJLHPCFHG-UHFFFAOYSA-N 336.888 4.209 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257345961 NTIDOCUQWIFRTK-GNFVNJEZSA-N 334.500 4.179 0 50 EIAA CC[C@@H](NC(=O)c1ccc(N2CCCC2)cc1)c1nc(C)c(C)s1 299786603 WMCFOWAKWCOXPT-QGZVFWFLSA-N 343.496 4.241 0 50 EIAA C[C@H]1C[C@@H](NC(=O)N2CCCC3(CCCCC3)CC2)c2nccn21 334068633 FLLWWHBCZOZJJG-JKSUJKDBSA-N 330.476 4.035 0 50 EIAA C[C@H](Cc1nc(-c2c[nH]c3ncccc23)cs1)n1cc(Cl)cn1 342411820 IQEGIPDPHFXCGB-SNVBAGLBSA-N 343.843 4.340 0 50 EIAA COc1ccc2c(c1)OC(C)(C)CN(c1ncc(C3CCC3)o1)C2 2325841095 CKHMELQEJVMHSX-UHFFFAOYSA-N 328.412 4.128 0 50 EIAA O=C(O)CSc1ccc(Br)c2cccc(Cl)c12 292546 OIRJMYHBXQNNLA-UHFFFAOYSA-N 331.618 4.432 0 50 EIAA COC(=O)c1ccc(C)c(NC(=O)[C@H](C)SCc2ccccc2)c1 859764 NLSRBLJZGTYLJE-AWEZNQCLSA-N 343.448 4.042 0 50 EIAA O=C(O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 1044178 GLJDZZQQPFAEPQ-RORBGTHESA-N 330.268 4.193 0 50 EIAA CCOc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 4841016 BCHOLVLZVFOXDB-UHFFFAOYSA-N 326.179 4.350 0 50 EIAA Brc1cccc(-c2noc(COc3ccccc3)n2)c1 4868380 SKOFSYNJOWARPJ-UHFFFAOYSA-N 331.169 4.078 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1C 12630770 ANCVZUUPAYRLIO-UHFFFAOYSA-N 345.855 4.266 0 50 EIAA Clc1ccc2c(c1)c1cc(Cl)ccc1n2CN1CCOCC1 19861802 RDTNUOVFSGNLIP-UHFFFAOYSA-N 335.234 4.391 0 50 EIAA C[C@@H](CNCc1ccccc1)C(O)(c1ccccc1)c1ccccc1 33874964 FMRUBXQQSIIGPL-IBGZPJMESA-N 331.459 4.348 0 50 EIAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c1C 77422371 IBHLHMUSEHIDDO-QGZVFWFLSA-N 342.414 4.341 0 50 EIAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 95374310 JVUSTMGPYWROST-KRWDZBQOSA-N 348.450 4.032 0 50 EIAA Cc1nc(C(=O)N(Cc2ccccc2)Cc2scnc2C)cs1 96130282 XQHWLQSRVQCYPG-UHFFFAOYSA-N 343.477 4.059 0 50 EIAA CCCCSc1ncc(CN2CCCC[C@@H]2c2cc(C)on2)cn1 97505836 DRADBHBDYDRTSK-QGZVFWFLSA-N 346.500 4.392 0 50 EIAA C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccccc1-c1ncc[nH]1 97532491 XUHKXWHGHDYHCL-AWEZNQCLSA-N 344.418 4.391 0 50 EIAA Cc1nc2cc(C(=O)N[C@H](c3ncccc3C)C3CC3)ccc2s1 97632172 GXSIKXCBIUMREP-SFHVURJKSA-N 337.448 4.189 0 50 EIAA CN(Cc1cnc(CC2CCCC2)[nH]1)Cc1cccc2cccnc12 97654165 XDKVBEHCEHIWGZ-UHFFFAOYSA-N 334.467 4.323 0 50 EIAA Cn1nc(CN2CCC[C@@H]2c2nccs2)c2c(Cl)cccc21 216359580 UMLJACAVDMJOCQ-CQSZACIVSA-N 332.860 4.020 0 50 EIAA COCc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 239672522 BTOCUIJURPFASJ-OAHLLOKOSA-N 335.403 4.392 0 50 EIAA Fc1ccc([C@@H]2CCCN2Cc2cncn2Cc2ccccc2)cc1 252501500 UGQHRYCMYJUKMN-NRFANRHFSA-N 335.426 4.408 0 50 EIAA c1ccc(-c2ccc(-c3noc([C@@H]4OC[C@@H]5COCC[C@@H]54)n3)cc2)cc1 289786631 LOWSTUDCOHDGEC-GBESFXJTSA-N 348.402 4.128 0 50 EIAA Fc1cccc(Oc2ccc(CN[C@H]3CCC34CCOCC4)cn2)c1 374326359 OVZWWNNLBSOIJG-SFHVURJKSA-N 342.414 4.062 0 50 EIAA Cc1ccc(Cn2ncnc2[C@@H]2CCCCN2Cc2ccccc2)cc1 670447504 GZSBXIZLJQMCMJ-NRFANRHFSA-N 346.478 4.362 0 50 EIAA CC(C)(C)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)on1 1875359400 CCJMBEHMFJBLEV-UHFFFAOYSA-N 349.239 4.080 0 50 EIAA O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 109874 OHMNZXDXOKJCME-UXHICEINSA-N 349.430 4.385 0 50 EIAA CN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 310523 SUCTVSUKTNHEDG-UHFFFAOYSA-N 339.416 4.304 0 50 EIAA O=C(NC1CCCCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O 384543 GUKBXPHLRLWVRQ-UHFFFAOYSA-N 340.206 4.162 0 50 EIAA O=C(/C=C/c1ccco1)Nc1ccccc1NC(=O)/C=C/c1ccco1 438087 MJODVAOBVHVUME-WGDLNXRISA-N 348.358 4.176 0 50 EIAA Cc1cc(Br)ccc1NC(=O)[C@@H](C)Oc1ccccc1 456930 BURFHMZXWOSNMP-GFCCVEGCSA-N 334.213 4.164 0 50 EIAA O=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 2522105 XPPZROKRJUKLHM-UHFFFAOYSA-N 342.391 4.026 0 50 EIAA CCOC(=O)C(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)OCC 2669353 ULPWUPKFTMMECB-UHFFFAOYSA-N 348.782 4.110 0 50 EIAA Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)ccc1Cl 4843148 DEFRBDMGTACPLR-SNVBAGLBSA-N 325.742 4.333 0 50 EIAA CC1=NN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C(=O)[C@H]1C 5090960 KCTJXIXQTQGIAE-ZETCQYMHSA-N 340.235 4.476 0 50 EIAA CC[C@@H](Nc1nncc(-c2ccccc2)n1)c1nc2cc(C)ccc2[nH]1 11664293 FAYHTWYTKGKAAM-OAHLLOKOSA-N 344.422 4.287 0 50 EIAA CN(c1ncccc1CNC[C@@H]1CCOC(C)(C)C1)C1CCCCC1 11873149 RPMDOCDBPZXXIH-QGZVFWFLSA-N 345.531 4.145 0 50 EIAA CC[C@H]1CN(Cc2ccc(O)c(Cl)c2)Cc2cc(OC)ccc2O1 14973939 FSIUEYRBRPIHOA-HNNXBMFYSA-N 347.842 4.227 0 50 EIAA Cn1ccnc1CC[C@H]1CCCCN1Cc1cc(F)ccc1Cl 77470010 PMTCUPGOLKYAGF-MRXNPFEDSA-N 335.854 4.200 0 50 EIAA CCc1ccccc1OC1CN(C(=O)c2[nH]c3ccc(C)cc3c2C)C1 82135014 PXUYTSWVPWWYSK-UHFFFAOYSA-N 348.446 4.251 0 50 EIAA COc1ccc2[nH]cc(C3=CCN(C(=O)C(F)=C(C)C)CC3)c2c1 123644549 DIKKMRNVBQMNPG-UHFFFAOYSA-N 328.387 4.056 0 50 EIAA Cn1c(Cl)nc(Cl)c1CNc1ccc2nc(C3CC3)oc2c1 152510903 RXYYQQUPFZFNSH-UHFFFAOYSA-N 337.210 4.358 0 50 EIAA O=C(c1ccnn1CC(F)F)N1CCCCC[C@H]1C1CCCCC1 239366916 AGSVAVBAPFPGDL-HNNXBMFYSA-N 339.430 4.113 0 50 EIAA CSc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1C 242140812 WPLLCXRJEUIJIH-OAHLLOKOSA-N 330.457 4.199 0 50 EIAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(F)cc1Br 248127808 XOMHVCZHUORLPF-ISTVAULSSA-N 328.225 4.143 0 50 EIAA CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@H]2c2cccnc2)o1 252475387 ZOBKBGDOCLCIIY-FHWLQOOXSA-N 338.451 4.484 0 50 EIAA Cc1cc(C)nc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 282938130 IMNSSVZVPQXHMP-ZDUSSCGKSA-N 341.377 4.285 0 50 EIAA COc1cc(NC(=O)N[C@@H](CC(C)C)c2cccnc2)ccc1C 299798941 TYUCGCTTZUREEC-KRWDZBQOSA-N 327.428 4.308 0 50 EIAA Cc1ccc(-c2cc(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)n[nH]2)o1 355072096 HCJXGYSIABDXEF-IBGZPJMESA-N 347.418 4.270 0 50 EIAA Cc1ncc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)s1 372545571 MXIDIGRSKIEFJT-UHFFFAOYSA-N 341.411 4.001 0 50 EIAA CCC[C@H]1C=CCN1C(=O)c1ccc(-c2cc(C)c(C)nc2O)cc1 534671687 XWXCNDYBOIPPIL-SFHVURJKSA-N 336.435 4.252 0 50 EIAA C[C@@H](Nc1cc(C(F)F)ncn1)c1ccc(N2CCCCC2=O)cc1 893923626 NMWVOVWGMBCDGK-GFCCVEGCSA-N 346.381 4.104 0 50 EIAA CC(C)Oc1cccc(CNC(=O)N(C)[C@H](C)c2cccs2)c1 918225730 QGUQMWFAZZCMSV-CQSZACIVSA-N 332.469 4.438 0 50 EIAA Cc1ccc2c(CN3CCC[C@@H](c4ccncc4)CC3)cc(=O)oc2c1 1875281666 OXYMLWZRDLYNJL-QGZVFWFLSA-N 348.446 4.266 0 50 EIAA COc1ccc(COC(=O)[C@]2(C)C[C@@H]2F)cc1SC(F)(F)F 1875309442 SYUKJDQASNSRQK-WCQYABFASA-N 338.322 4.098 0 50 EIAA O=C(NCc1nc(Cl)cs1)Nc1ccc([C@@H]2CC2(F)F)cc1 2325799314 LTQLZVPLMDUGSC-JTQLQIEISA-N 343.786 4.241 0 50 EIAA COC(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 199082 IQGCOXYXEBQPQF-UHFFFAOYSA-N 344.823 4.215 0 50 EIAA Cn1c([C@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21 201098 LDEUBYHHIMLMQC-KRWDZBQOSA-N 335.451 4.019 0 50 EIAA Cc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCC2)cc1 240862 IXAMFJHLLOPSJF-UHFFFAOYSA-N 344.462 4.360 0 50 EIAA Cn1cnnc1-c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 310279 HSPJTPVLMSYOMR-UHFFFAOYSA-N 347.205 4.041 0 50 EIAA O=C(O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCC2 313859 YELQSDOGDAXFQK-UHFFFAOYSA-N 337.400 4.341 0 50 EIAA aggregator O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)[C@@H]1CCCO1 367907 BXJOSLTZPOCOMF-INIZCTEOSA-N 342.782 4.266 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 452731 STIRDZLYTHMDPI-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA CCOC(=O)c1c(C(C)C)csc1NC(=O)c1cccc(F)c1 477035 NMXJRGACBUIVJW-UHFFFAOYSA-N 335.400 4.440 0 50 EIAA CSc1ccccc1NC(=O)CC(=O)Nc1ccccc1SC 2876531 OTXSKTMBTIAPLD-UHFFFAOYSA-N 346.477 4.098 0 50 EIAA COc1cc(C=O)cc(Br)c1OC/C=C/c1ccccc1 2877656 MDXLBEVOYJPNID-VMPITWQZSA-N 347.208 4.362 0 50 EIAA CCCCOc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1 2881254 CTNRCQVVJUUAQY-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA COc1ccc(OCCCOc2ccccc2Br)cc1 2904849 NVQOTEIOFFEIDD-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 7800823 BNSIHWPDNJNSLJ-MRVPVSSYSA-N 331.224 4.164 0 50 EIAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2ccsc2)c1C 12441267 HQBGWLXYULJONG-ZDUSSCGKSA-N 325.437 4.042 0 50 EIAA COc1ccc(NC(=O)Nc2nnc(CC3=CCCCC3)s2)cc1 17145505 NJSKAKWRNMFWLW-UHFFFAOYSA-N 344.440 4.234 0 50 EIAA Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 44933447 HLRUYZKEMHHGNX-SFHVURJKSA-N 336.479 4.084 0 50 EIAA CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 64858249 VNYSSYRCGWBHLG-WBPWTJHMSA-N 336.472 4.158 0 50 EIAA in-vitro Cc1cc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cs1 77459694 WIRBXUGEFBTBMA-KRWDZBQOSA-N 341.476 4.111 0 50 EIAA Cc1nn(C(C)C)c(C)c1CN1CCCN(CC2CC2)[C@@H](C(C)C)C1 107021551 AYIHNVOHDOMBBE-OAQYLSRUSA-N 346.563 4.023 0 50 EIAA C[C@H](Nc1cc(F)cc(N2CCOCC2)c1)c1ncc(C(C)(C)C)o1 177441554 XPQNRNUQKMRNAZ-ZDUSSCGKSA-N 347.434 4.121 0 50 EIAA Cc1c(C(=O)N(C)[C@H](c2ccccn2)C2CC2)n(C)c2c(C)cccc12 215082005 MVLBIVJDFRVVSF-NRFANRHFSA-N 347.462 4.413 0 50 EIAA COc1cc(-c2ccccc2)ccc1CNc1ccc(C(N)=O)c(C)c1 225498367 HPGMIFBLFDJIGT-UHFFFAOYSA-N 346.430 4.382 0 50 EIAA Cc1cccc(NC[C@H]2CCN([C@H](C)c3ncc(C(C)(C)C)o3)C2)n1 245482001 YZQISDCRRPFKCR-HZPDHXFCSA-N 342.487 4.171 0 50 EIAA CC(C)c1ccccc1N(C)C(=O)c1ccc(-n2cccn2)c(F)c1 408516811 CVQVXVOMARIMOQ-UHFFFAOYSA-N 337.398 4.411 0 50 EIAA Cc1cc(C)c(-c2ccc(C(=O)N3CCSCC3)cc2)cc1C 426689318 UKBRYHPLAMKQAD-UHFFFAOYSA-N 325.477 4.468 0 50 EIAA C[C@H](NCc1cc(C2CC2)ccc1F)c1cccc(-n2cnnc2)c1 926502700 RAXDRTUUEIGBQN-AWEZNQCLSA-N 336.414 4.135 0 50 EIAA CSc1cccc(CN(C)C(=O)c2c[nH]nc2C2CCCCC2)c1 1506423249 XDVBSQCOWPVILF-UHFFFAOYSA-N 343.496 4.452 0 50 EIAA CN(C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 2325822528 AHPLMEXKAIOCAU-UHFFFAOYSA-N 348.368 4.436 0 50 EIAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C 2325871538 PLKYBXVQYGOULM-UHFFFAOYSA-N 347.480 4.492 0 50 EIAA CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(OC)c1 141424 VFVRMEKUZGALET-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA O=c1c2ccccc2nc(-c2ccco2)n1-c1nc2ccccc2s1 527823 WMPVJERGEVCOGK-UHFFFAOYSA-N 345.383 4.255 0 50 EIAA Cc1c(Br)ccc(NC(=O)c2ccc3c(c2)OCO3)c1C 617594 JWGQXZZNQYCEHK-UHFFFAOYSA-N 348.196 4.047 0 50 EIAA O=C(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 1326710 UYABHGHMKPALKK-UHFFFAOYSA-N 339.826 4.236 0 50 EIAA Cc1cc(C(C)(C)C)ccc1OCCOCCN1CCC[C@H](C)C1 2823943 ROWMGARRALLJRX-KRWDZBQOSA-N 333.516 4.420 0 50 EIAA COCCSc1ccccc1C(=O)N1CCCc2ccccc21 2865302 BKTDGAXGMBSPJC-UHFFFAOYSA-N 327.449 4.018 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)on1 20911874 DPGXRBWAQAHNBS-AWEZNQCLSA-N 332.831 4.471 0 50 EIAA Cc1ccsc1-c1nc(CN(C)Cc2nc(C(C)C)no2)c(C)o1 67490703 KALYMIMIUMSJCP-UHFFFAOYSA-N 346.456 4.158 0 50 EIAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)cc1 77407115 RSSKKHOEBDHICC-INIZCTEOSA-N 342.405 4.144 0 50 EIAA CCn1ccnc1[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 91452087 BYATUTZXMXUBNJ-OAHLLOKOSA-N 337.389 4.301 0 50 EIAA CCCc1nc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)cs1 91526229 KECKGJQEFCKYPL-LBPRGKRZSA-N 334.872 4.379 0 50 EIAA Cc1cc(OC(F)F)ccc1NC(=O)N[C@@H](C)Cc1ncccc1C 97641875 TYHRTXSNQOZCLR-ZDUSSCGKSA-N 349.381 4.053 0 50 EIAA CC1(C)[C@@H]2C[C@@H](Sc3nnn(-c4ccccc4)n3)[C@@](C)(Cl)C[C@H]21 230188476 SSQSSYIXOVMRJG-WBOJAVRRSA-N 348.903 4.187 0 50 EIAA CCCOc1ccc(NC(=O)Cc2sc(C)nc2C)cc1Cl 822983447 ZAQLAWZARPYDLX-UHFFFAOYSA-N 338.860 4.383 0 50 EIAA Cc1cscc1NC(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 1350060843 BWJAMVNEBNSPIR-AWEZNQCLSA-N 346.500 4.420 0 50 EIAA Fc1ccc2nc(C3CCN(Cc4ccc(Cl)o4)CC3)[nH]c2c1 1506413070 GQGMSGIBFMJKMF-UHFFFAOYSA-N 333.794 4.328 0 50 EIAA Cc1cc(Cc2nc(C3(c4cccc(C(F)(F)F)c4)CC3)no2)on1 1775994317 KBWPNNWMZFIDPU-UHFFFAOYSA-N 349.312 4.056 0 50 EIAA C[C@H]1C[C@@H](C)C[C@H](CNC(=O)c2cc(O)nc(-c3ccccc3)c2)C1 1875336967 LVUNGQOQCXEBPZ-ZSHCYNCHSA-N 338.451 4.256 0 50 EIAA Cc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)Cc2ccccc2-3)cc1 399238 ONLPUFUBUBWAEK-UHFFFAOYSA-N 349.455 4.391 0 50 EIAA C[C@H](NC(=O)CSc1nc2ccccc2s1)c1ccccc1 446016 KYOHXHIBPMMHRS-LBPRGKRZSA-N 328.462 4.266 0 50 EIAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1F 475996 ZSMRCDPTDNUBDG-SNVBAGLBSA-N 325.742 4.333 0 50 EIAA O=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 732144 PJIWMIUCRHRIPQ-UHFFFAOYSA-N 327.181 4.114 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 2969274 GTTVVUIEHNGUHV-UHFFFAOYSA-N 341.407 4.293 0 50 EIAA O=C(CCc1ccncc1)N1CCC[C@@H](CCc2cccc(F)c2)C1 12435571 MQFMZIHXEJLDJS-IBGZPJMESA-N 340.442 4.025 0 50 EIAA COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c(OC)c1 13745110 CCNDRHUOVUIHPQ-VIFPVBQESA-N 340.832 4.301 0 50 EIAA Cc1ccc(-n2cccn2)c(CN2CCC[C@@H](Nc3ccccc3)C2)c1 15062965 MKGPXSDMTYPBPO-OAQYLSRUSA-N 346.478 4.257 0 50 EIAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(F)c(F)cc1Cl 33269885 ULHRXWGPPPWMMT-AWEZNQCLSA-N 340.757 4.200 0 50 EIAA Cc1cccc2c1c(-c1c(-c3ccccc3)ncn1CCO)cn2C 65527402 ABTBVGFBCBSIII-UHFFFAOYSA-N 331.419 4.010 0 50 EIAA Cc1cc(C(=O)N2CC(Oc3c(C)cccc3C)C2)c2ccccc2n1 82092341 JQXANPPAIKAQEK-UHFFFAOYSA-N 346.430 4.063 0 50 EIAA Cc1ncsc1CCNC(=O)c1ccc(-c2ccccc2Cl)o1 91713547 IQYSBACSUPUNAD-UHFFFAOYSA-N 346.839 4.337 0 50 EIAA CC(C)c1nnc([C@H](C)NC(=O)Nc2cc(Cl)ccc2Cl)o1 97447093 XVAISCSFZQQHJF-QMMMGPOBSA-N 343.214 4.383 0 50 EIAA CCCOc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cn1 156688584 HMVIVUPEAIZYKN-GOSISDBHSA-N 338.451 4.407 0 50 EIAA COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 169616132 NPIJXUGEZHABCE-RCZQDCHWSA-N 345.489 4.097 0 50 EIAA aggregator C[C@H](NC(=O)Nc1nc2c(s1)CCCCCC2)c1ccccn1 194521379 BBKKTDPNOXXIMI-LBPRGKRZSA-N 330.457 4.080 0 50 EIAA C[C@@H](NC(=O)N1CC2(CCCC2)c2c(F)cccc21)c1ccncc1 194777474 SDEDGOGGVJBWRN-CQSZACIVSA-N 339.414 4.323 0 50 EIAA CC1(C)CN(C(=O)c2cc(-c3cccnc3)on2)[C@@H]1c1cccs1 288482629 VQSNUKFGSXSEHG-MRXNPFEDSA-N 339.420 4.021 0 50 EIAA COc1ccc(CNCc2ccccn2)cc1OCc1cccs1 299782324 VPCQKMFNXSNFQB-UHFFFAOYSA-N 340.448 4.021 0 50 EIAA COc1ccc(CNc2nc(C)cc(C)n2)c(OC2CCCC2)c1 301475108 AOTUQLBUKSGSGJ-UHFFFAOYSA-N 327.428 4.036 0 50 EIAA CN(C(=O)[C@H]1CCOc2ccc(Cl)cc21)C1CCC(F)(F)CC1 377423956 VTSPTCNEGFEHSW-ZDUSSCGKSA-N 343.801 4.242 0 50 EIAA O=C(CCCC(F)(F)F)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 456697969 OFYSBJBTGCHLQP-CQSZACIVSA-N 339.361 4.349 0 50 EIAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NCCCC(C)(C)C 534634852 JVCVZAUDOAOVEN-UHFFFAOYSA-N 346.450 4.184 0 50 EIAA C[C@H](NC(=O)c1ccc2cccnc2c1)c1cccc(OC(F)F)c1 1353618545 FHICDVFRVKLCPQ-LBPRGKRZSA-N 342.345 4.327 0 50 EIAA Fc1ccc(Cn2cc(OCc3ccccc3OC(F)F)cn2)cc1 1875327657 DVWDPYONNUKNQL-UHFFFAOYSA-N 348.324 4.251 0 50 EIAA COc1ccccc1CN(C(=O)[C@H]1c2ccccc2C2CC1C2)C1CC1 1875331769 BZYOUVUSZRAVIG-CNXQINBVSA-N 347.458 4.477 0 50 EIAA COC[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC12CCCC2 1875404360 GJSYXWNJMCCRMD-KZNAEPCWSA-N 335.438 4.174 0 50 EIAA C[C@H](NCc1cncc(C(C)(C)C)c1)c1ccnn1-c1ccccc1 2325773969 KDRBPQSUQMPLIL-INIZCTEOSA-N 334.467 4.416 0 50 EIAA COc1cccc(CN2CC[C@H](c3ccccc3)CCC2=O)c1OC 2356145912 XNQGQBQIKTZEDI-QGZVFWFLSA-N 339.435 4.000 0 50 EIAA COc1cccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)c1 60051 PCDDKDJQBZUEQW-UHFFFAOYSA-N 334.371 4.493 0 50 EIAA biogenic Cc1nc(NC(=O)COc2ccc(Cl)cc2Cl)sc1C 476267 GUNKVYBKAKQKGU-UHFFFAOYSA-N 331.224 4.084 0 50 EIAA CC1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1 559738 KOLXDKNIPKAYCR-UHFFFAOYSA-N 329.831 4.224 0 50 EIAA O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCCC1 614906 MIBPKOFRCFCING-MRXNPFEDSA-N 329.827 4.190 0 50 EIAA CC(C)OC(=O)c1ccc(COC(=O)c2ccccc2Cl)cc1 618335 QMFFSMUCXQEOHU-UHFFFAOYSA-N 332.783 4.262 0 50 EIAA CSc1ncc(Cl)c(C(=O)Nc2cccc3ccccc23)n1 3163862 FXIUWRHUNXGBBS-UHFFFAOYSA-N 329.812 4.257 0 50 EIAA aggregator COc1cccc(NC(=O)COc2c(Cl)cccc2Cl)c1 4542103 WNGVKRHMLBKUKC-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA CN(C(=O)c1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 12404470 GALWTWAEQIRZFU-UHFFFAOYSA-N 348.377 4.355 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccon1 12439004 QILQULRSUHVKTA-SFHVURJKSA-N 340.810 4.166 0 50 EIAA CN(CC1CCCC1)CC1CCN(CCc2cccc(F)c2)CC1 12572426 RRMALLDOYFBGGW-UHFFFAOYSA-N 332.507 4.202 0 50 EIAA CC[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 13330192 AMQFZLIKWKPCOW-OAHLLOKOSA-N 346.814 4.384 0 50 EIAA Cc1nn(C(C)C)c2[nH]c(-c3cn[nH]c3-c3ccc(Cl)cc3)nc12 19853040 SUYGVUIRAYMERL-UHFFFAOYSA-N 340.818 4.359 0 50 EIAA c1cncc(-c2cccc(-c3ccn(CCN4CCCCC4)n3)c2)c1 23232324 QNRUDASAUVMEHY-UHFFFAOYSA-N 332.451 4.098 0 50 EIAA Cc1n[nH]c(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 50896734 KWTOKYBSNNUABZ-UHFFFAOYSA-N 346.312 4.051 0 50 EIAA Cc1ccc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)s1 55119480 IWRZMCCKABAGTL-KRWDZBQOSA-N 336.464 4.076 0 50 EIAA c1cncc(-c2nccn2-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 71415662 IBRNFQOPOKBKGO-UHFFFAOYSA-N 337.386 4.478 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1C 169755730 MKCMDBUCEHRWRY-SFHVURJKSA-N 347.418 4.331 0 50 EIAA CC(C)c1nc(COC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cs1 170621038 UEDSXVCMYQBEOK-CXTCDGGRSA-N 349.496 4.031 0 50 EIAA CNC(=O)c1ccc(NCc2ccc(-c3ccccc3)cc2OC)cc1 195068729 MXTZMLDBALUKET-UHFFFAOYSA-N 346.430 4.334 0 50 EIAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2ccsc2)cc1 248181066 DJAUCSVNUQQSTQ-KSZLIROESA-N 327.449 4.224 0 50 EIAA CCc1c(C(=O)Nc2cccc(Cl)c2C)cnn1-c1ccccn1 252500788 TVJJXDBMQYTKAK-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)C(F)F)c1 328587428 QOZOEZCARCYPMK-IRXDYDNUSA-N 331.362 4.018 0 50 EIAA CCC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1ccc2nccnc2c1 408525619 JKYTXZGCRZAGCP-HXUWFJFHSA-N 344.418 4.026 0 50 EIAA Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)CCc1ccc(O)cc1 456836894 ILSALWDIQGAWOX-IBGZPJMESA-N 327.399 4.136 0 50 EIAA Fc1ccccc1CN1CCC[C@H](NCc2cccc3cc[nH]c23)C1 952972106 WJOLDFUTJOCQJH-IBGZPJMESA-N 337.442 4.061 0 50 EIAA CC[C@@]1(CC(=O)Nc2cc(C)cc(O)c2)CC(=O)c2ccccc2C1 1875268766 DEANUAJWQQHMGJ-NRFANRHFSA-N 337.419 4.255 0 50 EIAA Cc1cc(F)cc([C@H](C)NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1 1875334657 YAAKWNBPKNBFBY-CSODHUTKSA-N 329.459 4.415 0 50 EIAA Cc1cc(CN[C@@H](C)c2cccc(-c3ccncc3)c2)ccc1CO 1875338998 SJXTWBQWGASINW-KRWDZBQOSA-N 332.447 4.400 0 50 EIAA Cn1ccc(COc2ccc(-c3ccc4c(c3)NCCCC4)cc2)n1 2325852584 LOQCVDXKMKZFQT-UHFFFAOYSA-N 333.435 4.414 0 50 EIAA O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(-c2ccccc2)cc1 250103 CPOYFTVHLJLICB-UHFFFAOYSA-N 349.337 4.476 0 50 EIAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1 332426 NNNHMOVWKHEDIH-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OC(F)F 374301 JGFSZNKFKYWEQG-UHFFFAOYSA-N 333.334 4.038 0 50 EIAA COc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 403723 ZEWOHZKPMUYUJB-UHFFFAOYSA-N 336.387 4.178 0 50 EIAA biogenic COC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 613657 MYKRUZTYVRRDGX-UHFFFAOYSA-N 344.208 4.239 0 50 EIAA CCOC(=O)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O 1058826 RXZPASDVZYHKLB-UHFFFAOYSA-N 342.778 4.214 0 50 EIAA COc1ccc2c(c1)c1nc(C)sc1n2CCN1CCCCC1 2331090 MVGLWBPAGWXFDB-UHFFFAOYSA-N 329.469 4.054 0 50 EIAA CCCc1cc(C(=O)OC)c(NC(=O)c2ccc(Cl)cc2)s1 2760837 HAOLTLXMZKGPHK-UHFFFAOYSA-N 337.828 4.393 0 50 EIAA Cc1ccc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)c(C)c1 2796370 SBLXYFVOVPGIEC-GFCCVEGCSA-N 339.361 4.102 0 50 EIAA COc1cc(/C=C/c2ccc3cccc(O)c3n2)c(Cl)cc1O 4123971 CTUDGWOENTVUBX-SOFGYWHQSA-N 327.767 4.478 0 50 EIAA C(=C/c1nn2c(CCc3ccccc3)nnc2s1)\c1cccs1 4540236 JHJIDTRKYPMOJM-PKNBQFBNSA-N 338.461 4.203 0 50 EIAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc(Cl)c1 4655870 SCEZAXXCJQMQEX-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA CCc1cc(Br)ccc1NC(=O)c1c(CC)noc1C 13325682 UKGXYQBRGFHCPY-UHFFFAOYSA-N 337.217 4.123 0 50 EIAA COc1cc(NC(=S)N[C@H]2CCCc3ccccc32)cc(OC)c1 13823435 NFXXIEQZLPUQJP-SFHVURJKSA-N 342.464 4.068 0 50 EIAA COc1cccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)c1 19360241 QPOFHUPNONBSEE-UHFFFAOYSA-N 346.474 4.166 0 50 EIAA Cc1ccccc1-c1noc([C@H]2CCCCN2C(=O)c2ccccc2)n1 19810485 DSKODYPJJSZUPC-GOSISDBHSA-N 347.418 4.412 0 50 EIAA O=C(c1cccc(-c2ccccc2)c1)N1CCC(c2ncc[nH]2)CC1 74828320 DONFJKKFDCEPCK-UHFFFAOYSA-N 331.419 4.097 0 50 EIAA COc1ccc(COCc2cccn2Cc2ccc(OC)cc2)cc1 95217974 UXZHTBCTIGKBDG-UHFFFAOYSA-N 337.419 4.270 0 50 EIAA in-vitro CC(C)N(CCOC(=O)[C@@H](c1cccs1)[C@H]1C=CCC1)C(C)C 96028070 WQQMRGJZJZVYOZ-FUHWJXTLSA-N 335.513 4.460 0 50 EIAA CCc1nc([C@H](C)N(C)CC2(O)CCCC2)oc1-c1ccccc1 152007116 FBQVSQGVCAJDHE-HNNXBMFYSA-N 328.456 4.202 0 50 EIAA CC(C)(O)[C@H]1CCCN1Cc1csc(-c2ccc(Cl)cc2)n1 179429894 XIZFMGDWLKYTLY-OAHLLOKOSA-N 336.888 4.199 0 50 EIAA Cc1ccc(-c2cc(NC(N)=S)n(-c3ccc(Cl)cc3)n2)cc1 215855017 UQWZVOMNLXURSY-UHFFFAOYSA-N 342.855 4.157 0 50 EIAA COc1ccccc1-c1ccc(-c2cccc(-c3ccn[nH]3)c2)nn1 216096942 VCIWZHKDKGZDPS-UHFFFAOYSA-N 328.375 4.209 0 50 EIAA Fc1ccc(-c2noc(-c3[nH]c4ccc(F)cc4c3Cl)n2)nc1 359011560 ULPOJAYFJJHSPP-UHFFFAOYSA-N 332.697 4.212 0 50 EIAA CC(=O)Nc1cc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)ccc1C 929727378 HPTNEYKDDIQBKZ-GOSISDBHSA-N 341.386 4.071 0 50 EIAA CCc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)s1 952980022 TUGPAQSWISWHNT-CYBMUJFWSA-N 331.437 4.121 0 50 EIAA Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)CC3CC3)n[nH]2)o1 1875341634 ALGYTKPPIHUFAQ-UHFFFAOYSA-N 335.407 4.031 0 50 EIAA O=C(C[C@@H]1CCCC2(CCC2)O1)Nc1cncc(-c2nccs2)c1 2325784425 DHXVPGNXNCQSPM-HNNXBMFYSA-N 343.452 4.026 0 50 EIAA CCc1c(C(=O)N2CCc3cc(O)ccc3[C@@H]2C)oc2ccccc12 2325828973 XBKRXZZXTZWYGT-ZDUSSCGKSA-N 335.403 4.460 0 50 EIAA Cc1oc2ccc(OCC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C 86251 OSGLAOKZVGVMSI-UHFFFAOYSA-N 332.396 4.300 0 50 EIAA biogenic O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccc(F)cc1 208635 XTJHFKSNZJEXJD-UHFFFAOYSA-N 345.377 4.341 0 50 EIAA COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)c1 423687 LJAMWFFEEBMQCA-UHFFFAOYSA-N 328.755 4.256 0 50 EIAA COc1ccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 442260 OFJBVFAZWRBKDM-LLVKDONJSA-N 339.313 4.120 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1OCC 466930 PWYKECOFYAKFEA-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA O=C(/C=C/c1ccccc1)NCCSCc1ccccc1Cl 2924176 UJUDROGGRVOKAW-ZHACJKMWSA-N 331.868 4.403 0 50 EIAA O=c1c2ccc(Cl)cc2ncn1Cc1ccc(C(F)(F)F)cc1 3131453 HXQXOSTZRBQARD-UHFFFAOYSA-N 338.716 4.117 0 50 EIAA CCOc1cccc(OCCOCCOc2cccc(Cl)c2)c1 4702114 KWQNGOPSFDWUQH-UHFFFAOYSA-N 336.815 4.213 0 50 EIAA Cc1csc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)n1 11907384 VKBPYEFDJIFEIU-NSHDSACASA-N 329.450 4.119 0 50 EIAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cccc(O)c2)C1 12300068 RGFSVZWCNHXBLS-INIZCTEOSA-N 329.827 4.141 0 50 EIAA Cc1ccccc1[C@@H](CC(=O)NCc1ccccn1)c1ccccc1 12429228 WSPGTYBGYQQASG-NRFANRHFSA-N 330.431 4.228 0 50 EIAA COc1ccc(O)cc1CN1CCC[C@@H](CCc2ccccc2F)C1 71760087 FQWAYGGKTJDJMO-INIZCTEOSA-N 343.442 4.385 0 50 EIAA O=C(Nc1cccc(Cl)c1O)c1sccc1Br 172110707 YWNDVXLWQRSPNC-UHFFFAOYSA-N 332.606 4.122 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)N1CCCc2cc(F)c(F)cc21 188525061 MXORYWRAAYFFRE-UHFFFAOYSA-N 348.418 4.275 0 50 EIAA COc1ccc(C(=O)O)nc1-c1ccc([C@@H](C)N2CCCCC2)cc1 223624707 WZBZBRHSAMSFFV-CQSZACIVSA-N 340.423 4.002 0 50 EIAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1snc(O)c1Cl 241144848 JTPPWIAFIXCFBD-UHFFFAOYSA-N 345.811 4.498 0 50 EIAA COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)C(F)F)c1 328587426 QOZOEZCARCYPMK-DLBZAZTESA-N 331.362 4.018 0 50 EIAA Cc1cccc(-c2cccc(C(=O)N3CC[C@@H](O)CC34CCC4)c2)c1 911198879 RNCXBKHYZKLHNC-HXUWFJFHSA-N 335.447 4.182 0 50 EIAA Cc1ccc(Oc2ccc(C(=O)OCc3cncc(F)c3)nc2)cc1 2325771006 LXTINDBGYWIMJB-UHFFFAOYSA-N 338.338 4.073 0 50 EIAA Cc1ccccc1NC(=O)CSc1ncnc2sc(C)c(C)c12 102760 GYRYHURELXURJF-UHFFFAOYSA-N 343.477 4.347 0 50 EIAA COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 205882 KFSBQJHFBFQSQT-IAGOWNOFSA-N 340.814 4.086 0 50 EIAA CC(C)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1 271804 AVXFDACQSAZBAP-UHFFFAOYSA-N 332.241 4.500 0 50 EIAA Cc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)sc2=S)cc1 465914 IGLSHWMWSSCOLX-UHFFFAOYSA-N 347.509 4.221 0 50 EIAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C(F)(F)F 472415 OASNRMGWHRRAIK-UHFFFAOYSA-N 349.355 4.154 0 50 EIAA Cc1cccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)c1C 2658219 BQPWFDSYFALDMC-UHFFFAOYSA-N 334.419 4.012 0 50 EIAA CCOc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 2886442 NNKZRRJFEXXVOD-UHFFFAOYSA-N 349.452 4.018 0 50 EIAA COc1cccc(OC)c1OCCCOc1c(C)ccc(C)c1C 2983819 NWROSKJQAPLTPU-UHFFFAOYSA-N 330.424 4.477 0 50 EIAA CCOc1cccc(OCCOCCOc2ccccc2CC)c1 2985650 HTSMQIBNYANNMA-UHFFFAOYSA-N 330.424 4.122 0 50 EIAA COc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1 3000441 KQRHPHLTUVANPH-UHFFFAOYSA-N 339.479 4.419 0 50 EIAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cccc(F)c1 4841604 CFWMYLDYXPIQCW-CQSZACIVSA-N 340.398 4.093 0 50 EIAA COC(=O)c1ccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1 4906701 WMHWAZKFZDUMSP-XYOKQWHBSA-N 347.370 4.117 0 50 EIAA CCOc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1O 4987002 HEUNAZINVISTLU-UHFFFAOYSA-N 327.399 4.219 0 50 EIAA COc1cc(CNC2CCCC2)cc(Cl)c1OCc1cccnc1 4999716 MXHMFZRJPUFKSJ-UHFFFAOYSA-N 346.858 4.355 0 50 EIAA CC(=O)c1ccc(N2CCN([C@@H](C)CCc3ccccc3)CC2)cc1 5393998 FAUYGUPXHYXWDI-SFHVURJKSA-N 336.479 4.033 0 50 EIAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19782213 FIDUAGYGRUSWBF-OAHLLOKOSA-N 333.426 4.266 0 50 EIAA Fc1cccc(F)c1CC[C@@H]1CCCN(CCc2ccccn2)C1 72123875 JDISSOVVDULLOW-INIZCTEOSA-N 330.422 4.247 0 50 EIAA Cc1cc(C(=O)N[C@@H](c2ncccc2C)C2CC2)c2ccc(F)cc2n1 82097000 ZNMRETWZYWOOLW-HXUWFJFHSA-N 349.409 4.267 0 50 EIAA CCc1nc(C)c(C(=O)N(C)CCSc2ccc(C)cc2)s1 97370591 GXVPAANHMSMIAE-UHFFFAOYSA-N 334.510 4.187 0 50 EIAA CC(C)c1cccc(CSc2nnc(-c3ccccc3F)n2C)n1 122794369 LGWKQIUVBOJKHK-UHFFFAOYSA-N 342.443 4.432 0 50 EIAA O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC[C@@H]1C1CCCC1 124509427 BPLFMDLKNMKEAN-CQSZACIVSA-N 336.819 4.255 0 50 EIAA CNc1nnc(SCc2ncc(-c3ccccc3Cl)o2)s1 173026679 RTHZYWQOJTXIRE-UHFFFAOYSA-N 338.845 4.181 0 50 EIAA CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC[C@H]3C)ccc21 173152588 UAZZQHXPFZBVJR-LLVKDONJSA-N 339.361 4.261 0 50 EIAA Cc1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)co1 188189781 FRWBLLLOJNDNJQ-SFHVURJKSA-N 325.408 4.246 0 50 EIAA CCC(CC)(C(=O)N1CCC2(CCOCC2)CC1)c1ccccc1 793487587 HVTOKDFPFNMBKV-UHFFFAOYSA-N 329.484 4.164 0 50 EIAA C[C@H](c1ccc(Br)cc1)N1CCc2ccccc2[C@@H](O)C1 2325828126 ZOXVKPJDQOMRTJ-ACJLOTCBSA-N 346.268 4.102 0 50 EIAA CC1(c2cc(C(=O)N[C@H]3CC[C@H](c4cccc(Cl)c4)C3)[nH]n2)CC1 2325840352 YUIKHEAMKJNYSK-ZFWWWQNUSA-N 343.858 4.181 0 50 EIAA C[C@H](OC(=O)c1cc(OCc2ccccc2)ccc1O)c1ccncc1 2325868654 FBKJKGHMDKGPHE-HNNXBMFYSA-N 349.386 4.284 0 50 EIAA CC[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cn1 69594 MDTFXBUMKNQYQM-ZDUSSCGKSA-N 347.827 4.386 0 50 EIAA CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3C)c(C)oc2c1C 457751 KODXAKKJSJTHNX-UHFFFAOYSA-N 338.359 4.436 0 50 EIAA CCOC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1SC 1403338 BSUNJQOXPNXWJQ-UHFFFAOYSA-N 325.480 4.475 0 50 EIAA Fc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 1432782 PPMZUJUKVKKXEX-UHFFFAOYSA-N 338.260 4.474 0 50 EIAA COc1ccc(-c2cc(C3CC3)nc3sc4c(N)ncnc4c23)cc1 1510106 MOPSYKYLGFNDKW-UHFFFAOYSA-N 348.431 4.375 0 50 EIAA COc1cccc(Nc2ncccc2C(=O)Nc2ccccc2OC)c1 2866254 NGGJMFDOFHRUBM-UHFFFAOYSA-N 349.390 4.095 0 50 EIAA CCOc1cc2c(cc1OCC)[C@@H](c1cccc(F)c1)CC(=O)N2 4986638 QPBPUBCWWWQLJN-CQSZACIVSA-N 329.371 4.097 0 50 EIAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1 6697787 FMNJFBHPYJKREK-UHFFFAOYSA-N 336.395 4.179 0 50 EIAA Cc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C 6714691 ULQZGEPSRJSFQB-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA CCCn1cc(C(=O)CSc2nnc(C)s2)c2ccccc21 10480533 ZYHBOOATFXFHBB-UHFFFAOYSA-N 331.466 4.186 0 50 EIAA CCOc1ccc(-c2nc(CN(C)Cc3nccs3)c(C)o2)cc1 12468166 GMWMETWNNBDCHM-UHFFFAOYSA-N 343.452 4.137 0 50 EIAA COc1ccc(CCN(CC2CCCC2)CC2CCN(C)CC2)cc1 14954927 YTUKMUZYSITZHJ-UHFFFAOYSA-N 344.543 4.072 0 50 EIAA O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccccc1F 15839937 VPMOIOCFTZMLEG-GOSISDBHSA-N 340.785 4.394 0 50 EIAA Cc1ccc(-c2cnn3c(N4C[C@@H](C)C[C@@H](C)C4)cc(C)nc23)cc1 18100442 KANMRAOPCDEPFF-IYBDPMFKSA-N 334.467 4.495 0 50 EIAA Cc1ccc(-c2nc(CN3CCC[C@H]3c3nonc3C)c(C)o2)s1 23130238 AJVZXYBADPLGRI-AWEZNQCLSA-N 344.440 4.048 0 50 EIAA CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 59740135 FPKJSRZOIPXKGI-OAHLLOKOSA-N 330.472 4.033 0 50 EIAA CN(Cc1ccc(F)cc1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101357825 WDEVAXZJCYZEKG-NRFANRHFSA-N 346.405 4.351 0 50 EIAA CCc1cc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)n(C)n1 116513342 MGMHWLPLPRWLTM-HNNXBMFYSA-N 332.835 4.005 0 50 EIAA Cc1ccc2c(c1)[C@H](NC(=O)c1occc1COc1ccccc1)CO2 156371797 YFZHCMJVGULHBH-GOSISDBHSA-N 349.386 4.031 0 50 EIAA CCCCc1nc(Cl)c(CN2CCC(c3ccncc3)CC2)[nH]1 215621271 XHMCREHVKVNCBD-UHFFFAOYSA-N 332.879 4.180 0 50 EIAA Cc1ccccc1-c1ccccc1C(=O)N[C@H](C)c1cn(C)nc1C 215886599 GYXBAJIDKJWMGG-OAHLLOKOSA-N 333.435 4.195 0 50 EIAA CN(CC1(CO)CCCC1)C(=O)c1ccc(-c2cccc(F)c2)cc1 220362732 GBXOLVDUSGUWAL-UHFFFAOYSA-N 341.426 4.117 0 50 EIAA O=C(Nc1c(F)cc(F)cc1Cl)c1ncccc1Br 225409419 DLJYBLUQRLWFRW-UHFFFAOYSA-N 347.546 4.028 0 50 EIAA C[C@@H](CN(C)C(=O)NCC1CC(c2ccccc2)C1)c1nccs1 240756929 HVMPFIZPDFRJLK-UQPPLGOBSA-N 343.496 4.082 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CCC[C@](C)(c2ccccc2)C1 241338587 MCBFQGGSGUOHSV-FQEVSTJZSA-N 340.471 4.129 0 50 EIAA Cc1cc(C)n([C@H]2CCN(C(=O)Nc3cccc4cc(C)oc34)C2)n1 299791036 CWDNCWWIBICRAC-INIZCTEOSA-N 338.411 4.033 0 50 EIAA Fc1cccc(C=C2CCN(Cc3nnc(-c4ccco4)o3)CC2)c1 328594254 JRVTWWLZKVPOEZ-UHFFFAOYSA-N 339.370 4.148 0 50 EIAA O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)[C@@H]1CCCO1 411113093 MWADAIRIXWFZMU-VIFPVBQESA-N 328.117 4.130 0 50 EIAA O=C(CCc1cncs1)Nc1ccc(COc2ccccc2)cc1 497723071 HQVTWQORBQIODD-UHFFFAOYSA-N 338.432 4.293 0 50 EIAA COc1cccc(C(=N)NOCc2c(Cl)cccc2Cl)c1 742363877 KAOBEIZGVBKTDP-UHFFFAOYSA-N 325.195 4.049 0 50 EIAA Cc1ccc2c(C(=O)N[C@H](C)c3noc(C(F)F)n3)c(C)ccc2c1 822512519 AKPITHOROBICLO-LLVKDONJSA-N 345.349 4.268 0 50 EIAA CCOc1ccc(CN(C)Cc2noc(C3CCC3)n2)cc1Cl 823383212 GMQFRDZLQQWKOL-UHFFFAOYSA-N 335.835 4.021 0 50 EIAA C[C@H](NC[C@@H](CCO)c1ccccc1)c1cnc(-c2ccccc2)o1 888099072 VAYSPOUIZJESGA-QFBILLFUSA-N 336.435 4.158 0 50 EIAA CCCN(C(=O)[C@H](C)c1nnc(O)c2ccccc12)C1CCCCC1 952986097 JNKYDPZPISFVIU-CQSZACIVSA-N 341.455 4.010 0 50 EIAA O=S(=O)(Nc1ccc2sccc2c1)c1ccc(F)c(Cl)c1 1254959179 MXDJQLTUMZSROJ-UHFFFAOYSA-N 341.816 4.495 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(Cc1c(Cl)ccc(O)c1Cl)C2 1704302825 DHSPPRMOWQRDIB-NVXWUHKLSA-N 344.282 4.480 0 50 EIAA Cc1ccccc1-c1ccc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1 1704339683 WKTGKNQHUPNXCC-QHAWAJNXSA-N 348.490 4.009 0 50 EIAA Cc1ccncc1[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)o2)C1 2325764528 ATRGVBMKKHKUTH-CQSZACIVSA-N 340.814 4.087 0 50 EIAA CC12CC(c3nc(-c4cc5cc(Cl)ccc5[nH]4)no3)(CCO1)C2 2325783611 LQQNNZPBBZKAFM-UHFFFAOYSA-N 329.787 4.082 0 50 EIAA Cc1ccc(-c2cc(CN3CC[C@@H](c4ccccc4)[C@H](O)C3)on2)cc1 2356149499 DHINTESHDPYJPL-RBBKRZOGSA-N 348.446 4.000 0 50 EIAA CC1=CC(C)(C)N(C(=O)CSc2nccc(C)n2)c2ccccc21 75711 DUUWRROLRVAMQR-UHFFFAOYSA-N 339.464 4.106 0 50 EIAA COc1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 143895 HQGJUVQQXSWLBA-UHFFFAOYSA-N 349.434 4.132 0 50 EIAA CCOc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc12 193751 WIEMMWUTFXAPGM-HUUCEWRRSA-N 347.480 4.190 0 50 EIAA Cc1ccc(SCC(=O)Nc2ccccc2Br)cc1 288000 UETOTOMUJOLZES-UHFFFAOYSA-N 336.254 4.488 0 50 EIAA Cc1ccc(S(=O)(=O)N(c2ccc(C)cc2C)C(F)F)cc1 307547 NUEUSBXAHZYCJZ-UHFFFAOYSA-N 325.380 4.030 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccccc1O)NCc1ccccc1 454783 LECPPUWLQNRGJR-HXUWFJFHSA-N 331.415 4.231 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1 456445 DLUYFXXMLZVOID-UHFFFAOYSA-N 337.444 4.356 0 50 EIAA O=C(NCc1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1 1056259 WKGOSRJDSAYJSH-OAQYLSRUSA-N 327.427 4.309 0 50 EIAA Cc1c(Cl)cccc1NC(=O)Nc1ccc(Br)cn1 2858850 SEKHGUZPXRMYPT-UHFFFAOYSA-N 340.608 4.450 0 50 EIAA Cc1cc(Cl)ccc1OC[C@H](O)CNC(C)(C)CC(C)(C)C 2940436 GJXGWWYASKEQEX-OAHLLOKOSA-N 327.896 4.193 0 50 EIAA O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1 3893090 YXECZWSOBWZBCL-MRVPVSSYSA-N 326.145 4.408 0 50 EIAA CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 4039126 ZXCNBPBAEBSWRS-OAHLLOKOSA-N 343.423 4.280 0 50 EIAA CC1(C)CC(NC(=S)Nc2ccc(F)c(Cl)c2)CC(C)(C)N1 4506742 UCWHVPCJJWTGEL-UHFFFAOYSA-N 343.899 4.075 0 50 EIAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2oc(=O)ccc2c1 5064093 NCYDHYUTGBCVEA-UHFFFAOYSA-N 337.419 4.338 0 50 EIAA CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc(C)c1C 8680608 JMHSNITUKIQCAQ-UHFFFAOYSA-N 334.466 4.351 0 50 EIAA aggregator O=C(Nc1ccc(F)cc1)Nc1nnc(CC2=CCCCC2)s1 9170730 YIFMHYHMVLMBEE-UHFFFAOYSA-N 332.404 4.364 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1C 12054493 SPNYIIIHYJLTJW-LJQANCHMSA-N 326.415 4.159 0 50 EIAA O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2ccccc2oc1=O 12062412 YOGVLUPIWSBAKT-UHFFFAOYSA-N 334.158 4.352 0 50 EIAA CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)cc2C)c1C 16606214 BCKAHCIWJMGQPZ-UHFFFAOYSA-N 348.450 4.316 0 50 EIAA Cc1nn(C)cc1-c1ccnc(N[C@H](C)c2ccc(Cl)cc2)n1 48066928 NLPGZFFTXNVOBZ-LLVKDONJSA-N 327.819 4.012 0 50 EIAA CSc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 55543553 NGJPWGIUWAMKND-UHFFFAOYSA-N 332.900 4.384 0 50 EIAA CC(=O)c1cccc(NC(=O)c2ccc(CN3CCC[C@H]3C)cc2)c1 65505038 UPIXDTFEOMDLPO-OAHLLOKOSA-N 336.435 4.126 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)ccc1F 77486840 BMIAZHHBVJUBFC-OAHLLOKOSA-N 345.389 4.204 0 50 EIAA Cc1ccc2c(c1)[C@H](n1ccnc1-c1ccc(CO)o1)CC(C)(C)O2 77505477 TWAPYFLBTOOLIM-MRXNPFEDSA-N 338.407 4.094 0 50 EIAA CCCc1cc(C(=O)N(Cc2ccccc2)Cc2cccc(C)n2)no1 77523194 KQGUYURAYORFSE-UHFFFAOYSA-N 349.434 4.173 0 50 EIAA C[C@@H]1CCCN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)C1 169680771 WHXMWXGPFQEMKH-NKHMXISVSA-N 347.462 4.171 0 50 EIAA CC(=O)Nc1cccc(C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)c1 170596168 JYHAIRBHCOCLJF-JLTOFOAXSA-N 336.435 4.089 0 50 EIAA Fc1cccc2c(Nc3ccc(NC4CCOCC4)cc3)ncnc12 241809989 SCFRBIZSENPQDA-UHFFFAOYSA-N 338.386 4.103 0 50 EIAA CC(=O)N1CCC[C@@H](c2nc(C3CCC(F)(F)CC3)cs2)C1 277387028 NKWCWTKIQIRTIS-CYBMUJFWSA-N 328.428 4.162 0 50 EIAA CCc1nc(C)c(-c2nc(C3(c4cc(F)ccc4C)CC3)no2)o1 293265459 HCQGZSWMTJKUCL-UHFFFAOYSA-N 327.359 4.123 0 50 EIAA O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1 299791095 CKUQFXNFCHSGKM-NRFANRHFSA-N 349.478 4.446 0 50 EIAA O=C(Nc1ccc(N2CCCCC2)nc1)c1cccn1C1CCCC1 484784523 KEBAJQLCWJBELI-UHFFFAOYSA-N 338.455 4.241 0 50 EIAA COc1ccccc1-c1ncc(CN(C)[C@H](C)c2cccnc2)s1 952986463 YBLZBJIXIAZNFM-CQSZACIVSA-N 339.464 4.407 0 50 EIAA C[S@](=O)c1ccc(N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1F 1875264545 MMDWAGMTZYTBNI-HMFCALDFSA-N 335.419 4.450 0 50 EIAA CCOC(=O)c1cnc2c(C)cccc2c1NCCc1ccccc1 97649 PEGVBWFXTSLDNL-UHFFFAOYSA-N 334.419 4.375 0 50 EIAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CC1 181306 QUHFIVWCHTVEIH-UHFFFAOYSA-N 329.421 4.249 0 50 EIAA Cc1cccc(NC(=O)COc2ccc(Br)cc2)c1C 299160 WWHGGUOFJJMGKL-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA COc1cccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 450778 KDNPLUTUQPAXOS-UHFFFAOYSA-N 340.206 4.328 0 50 EIAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1C 466663 PLEJRJJRWGEWBP-ZDUSSCGKSA-N 348.240 4.472 0 50 EIAA COc1cc(NC(=O)Nc2ccccc2OC)c(OC)cc1Cl 1732593 ZPOBPNSXHXGUOQ-UHFFFAOYSA-N 336.775 4.010 0 50 EIAA O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccccc2)on1 2794173 BEMOOJHEVXNGRT-UHFFFAOYSA-N 330.290 4.195 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 2989107 SEQLFRBFHVBWRA-UHFFFAOYSA-N 325.408 4.215 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 4866644 KDGAANSFHPBMOJ-UHFFFAOYSA-N 331.297 4.143 0 50 EIAA C[C@H]1C[C@@H](C)CN(CCOCCOc2cccc3ccccc23)C1 4907330 WRHRLSUFTVSSCS-HDICACEKSA-N 327.468 4.213 0 50 EIAA Cc1cccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1C 6715648 VETQZGOIAALEBU-UHFFFAOYSA-N 346.833 4.058 0 50 EIAA O=C(Nc1ccccc1Cl)NC1CCN(Cc2ccccc2)CC1 6725595 QDCXPAKUSGOSOB-UHFFFAOYSA-N 343.858 4.126 0 50 EIAA COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 11636465 UEKKUGBMYVPLPR-LLVKDONJSA-N 339.313 4.120 0 50 EIAA CCOc1ccc(NC(=O)Nc2nnc(-c3ccccc3)s2)cc1 18059901 WVQSKJGDQZTXAO-UHFFFAOYSA-N 340.408 4.248 0 50 EIAA Cc1ccc(O)c(CN(Cc2ccccn2)Cc2sccc2C)n1 55358463 YZXFMYSNKWGBQM-UHFFFAOYSA-N 339.464 4.063 0 50 EIAA CC(C)Cc1cc(C(F)(F)F)c2c(n1)sc1c(O)cc(=O)[nH]c12 67622406 SSQKBUUOPNHKRI-UHFFFAOYSA-N 342.342 4.061 0 50 EIAA c1cn(-c2ccc3cn[nH]c3c2)c(-c2ccc([C@H]3CCCO3)s2)n1 67678947 ZZMCOQFOCLXHHM-OAHLLOKOSA-N 336.420 4.329 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)[nH]n1 71707782 SUVHJNKKDRHTDB-HNNXBMFYSA-N 343.446 4.157 0 50 EIAA CCc1ccc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc1 77285943 AXZXBZFKZBCORE-OAQYLSRUSA-N 349.474 4.303 0 50 EIAA COc1cc2c(cc1C(=O)N(C)Cc1csc(C(C)C)n1)CCC2 91476269 ZWZYUEBDKBVHCR-UHFFFAOYSA-N 344.480 4.036 0 50 EIAA C[C@@H](NC(=O)c1ccc2ncccc2c1)c1cccc(OC(F)F)c1 121291375 YMERFRGDNNKHIY-GFCCVEGCSA-N 342.345 4.327 0 50 EIAA CCOCc1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 155062541 LFPXDVOITPSSQP-UHFFFAOYSA-N 349.434 4.278 0 50 EIAA CC(C)c1csc(C(=O)NCc2nc3ccccc3n2C(C)C)n1 216128003 GTOGELVXDSHPMU-UHFFFAOYSA-N 342.468 4.127 0 50 EIAA O=C(Nc1cccc(N2CCCCC2)c1)c1ccoc1Br 252483986 FLQYQELUUCFAJT-UHFFFAOYSA-N 349.228 4.285 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 253500719 NCMZQTLCXHGLOK-HJRPSSTNSA-N 330.468 4.450 0 50 EIAA Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c(Cl)c1 427114699 OBRHQGUKHRXXQD-UHFFFAOYSA-N 325.799 4.395 0 50 EIAA CCn1nc(C)c([C@H](C)NC(=O)CCCc2ccc(Cl)cc2)c1C 823593462 WBJNUPIBRASGOI-ZDUSSCGKSA-N 347.890 4.373 0 50 EIAA Cc1cc(-c2nc(C(C)(C)c3ccncc3)no2)oc1Br 904150627 ROMDBLKOXVUCKS-UHFFFAOYSA-N 348.200 4.121 0 50 EIAA O=C(Nc1cnc2c(F)cccc2c1)[C@H]1CCOC2(CCCC2)C1 912408489 DUVKYDLCSNVOGJ-AWEZNQCLSA-N 328.387 4.052 0 50 EIAA C[C@H]1c2cccn2CCN1Cc1cc(CN2CCCCC2)cs1 952871748 DDJPBZHCQBIOQC-INIZCTEOSA-N 329.513 4.112 0 50 EIAA COc1ccc(-c2oc3c(C)cc(C(C)=O)cc3c2CC(=O)O)cc1 1848443381 LXVIUTIXIZDFGY-UHFFFAOYSA-N 338.359 4.247 0 50 EIAA O=C(O)C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 1875306595 LLAZOFIZRYZTGI-OTVXOJSOSA-N 349.858 4.112 0 50 EIAA Cc1ccc(-c2cccnc2)cc1NC(=O)c1cc[nH]c2nccc1-2 1875341184 JXSPDYVNADZFHX-UHFFFAOYSA-N 328.375 4.137 0 50 EIAA Cc1cc(C)cc(OCCN(C)c2cc(Nc3ccccc3)ncn2)c1 1875362866 WVQALILIJGZHLP-UHFFFAOYSA-N 348.450 4.352 0 50 EIAA CC[C@@H](OC(=O)c1cc(CC(C)C)[nH]n1)c1cc(C)ccc1OC 2325853128 DSWCYHIEKIVVAH-QGZVFWFLSA-N 330.428 4.233 0 50 EIAA CC(C)(C)[C@@H]1CC[C@@H](NC(=O)c2c[nH]nc2-c2cccc(F)c2)C1 2325875380 POYPRVZXGUGPBT-UKRRQHHQSA-N 329.419 4.160 0 50 EIAA CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl 445660 OIVHYHXOGOWUEM-UHFFFAOYSA-N 335.787 4.008 0 50 EIAA COc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1OC 446514 DBYPZNYGJKOYRR-UHFFFAOYSA-N 328.393 4.277 0 50 EIAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 460252 OYABWWLARBANJE-UHFFFAOYSA-N 344.414 4.177 0 50 EIAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 470815 SKBRBBFYHHGKGG-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA COc1cc(OC)c(-c2nc(-c3ccc(Cl)cc3)no2)cc1OC 496498 LZLXEZNEOKMVDG-UHFFFAOYSA-N 346.770 4.083 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1C 2546563 BPHWXEVVLWJWPQ-VQHVLOKHSA-N 346.224 4.418 0 50 EIAA CCc1ccccc1NC(=O)C(=O)NC1CCC(C(C)(C)CC)CC1 2812075 QJYNHOKABDVJJW-UHFFFAOYSA-N 344.499 4.299 0 50 EIAA COc1ccc(/C=C/c2nc3sc4c(c3c(=O)o2)CCCC4)cc1 4147679 WZZIVJSZVVAYNL-DHZHZOJOSA-N 339.416 4.307 0 50 EIAA Cc1ccc(C)c(NC(=O)C[C@H](C(=O)O)[C@H](C)c2ccccc2)c1 5277190 CBSPWPMVKJUHTL-WBVHZDCISA-N 325.408 4.137 0 50 EIAA O=C(Nc1nnc(CCCc2ccccc2)s1)c1cccs1 6702497 SILAVPFHHSRROX-UHFFFAOYSA-N 329.450 4.027 0 50 EIAA Cc1nn(CCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C 8714346 WGVBUUGTDLEBOI-UHFFFAOYSA-N 326.227 4.144 0 50 EIAA O=C1NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S1 15055857 URGOMEUIOHDRCV-DHDCSXOGSA-N 345.807 4.243 0 50 EIAA Cc1ccsc1CN1CC[C@@]2(CCCN(C(=O)CC(C)(C)C)C2)C1 67788669 OCXMFVKRFUDQDQ-FQEVSTJZSA-N 348.556 4.307 0 50 EIAA COc1ccc(C(=O)N2CCC[C@H](c3ccccc3C)C2)c(F)c1F 77337097 OJVDSDRBSUFEOH-AWEZNQCLSA-N 345.389 4.302 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)c(C)c1 77358483 YQUCSWWWHXVITD-FQEVSTJZSA-N 349.474 4.358 0 50 EIAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@H]1c1ccccc1 91474922 VZCSYUDFQQJWRL-SFHVURJKSA-N 335.382 4.193 0 50 EIAA Cn1nc(C2CCC2)cc1NC(=O)N(Cc1cccc(F)c1)C1CC1 153917748 YKDOXSCROXZBAE-UHFFFAOYSA-N 342.418 4.023 0 50 EIAA Cc1ccccc1[C@H]1CCCN1C(=O)CCN1CCc2ccccc2C1 170597812 BOLDPZYHKDUMPI-JOCHJYFZSA-N 348.490 4.107 0 50 EIAA Cc1nc(CN[C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)no1 184944518 UPJKSIHYSHYVEV-VIFPVBQESA-N 348.859 4.314 0 50 EIAA CCO[C@H]1C[C@H](NCc2ccc(CSC(F)F)o2)C12CCC2 236987480 YWMPIMYNRMSNPP-KBPBESRZSA-N 331.428 4.173 0 50 EIAA Cc1nc2ccc(C(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)cc2n1C 408312777 CINSYBLJPLSUBM-ACJLOTCBSA-N 337.423 4.088 0 50 EIAA Nc1ccnc(-c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1 426405202 WSTNQKLQAGRYIR-UHFFFAOYSA-N 347.462 4.029 0 50 EIAA O=C(NCc1cc(-c2ccccc2Cl)on1)N1CCCCCC1 584896769 USNQWPVMXUOYJC-UHFFFAOYSA-N 333.819 4.081 0 50 EIAA CCn1c(C)cc2cc(NC(=O)c3cc(CC(C)C)no3)ccc21 952986831 IRJFNQIHGHNMJX-UHFFFAOYSA-N 325.412 4.408 0 50 EIAA COc1cc(C)c(C)cc1S(=O)(=O)Oc1cccc2ccccc12 1776004950 TYSZUKUZLMZVJJ-UHFFFAOYSA-N 342.416 4.233 0 50 EIAA CC(=O)c1cc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cs1 1857692917 ZXCHSSMGQAQNFD-DOTOQJQBSA-N 343.496 4.079 0 50 EIAA O=C(Cc1ccc(Cl)cc1)NCc1ccccc1-c1cccnc1 2325823278 MIGNXKFJPUKZOT-UHFFFAOYSA-N 336.822 4.261 0 50 EIAA C[C@H](NC(=O)N1CCOC[C@@H](C(C)(C)C)C1)c1cc2ccccc2o1 2325869075 XXLDCFVIHDVTAM-HOCLYGCPSA-N 344.455 4.198 0 50 EIAA O=C(O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 151335 QYPRFQYRWZPJSM-UHFFFAOYSA-N 333.269 4.090 0 50 EIAA CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C)oc2c1 162670 RHILJJYQHLUIJZ-UHFFFAOYSA-N 344.750 4.472 0 50 EIAA biogenic Cc1cc(C)c2nc(SCC(=O)N3CCCCC3)cc(C)c2c1 416371 ZTSZNHMSQXKLPI-UHFFFAOYSA-N 328.481 4.265 0 50 EIAA COc1ccc(NC(=O)COc2ccccc2Cl)cc1Cl 436006 ZLFPQVZJKOLLST-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA CCOc1ccc(-n2c(SCC)nnc2-c2ccccc2)cc1 469434 KHVOLJPMPWICEO-UHFFFAOYSA-N 325.437 4.445 0 50 EIAA O=C(NCc1ccco1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 472439 JYZNVLNKOOBNDJ-UHFFFAOYSA-N 335.281 4.488 0 50 EIAA O=C(Nc1cccc(Cn2cccn2)c1)c1cc2c(s1)CCCC2 1053855 RHCWLYDYCDESNI-UHFFFAOYSA-N 337.448 4.124 0 50 EIAA N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)S1 5102136 RSWOXSWQFUGUFQ-DHDCSXOGSA-N 344.823 4.058 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1nnc(CCc2ccccc2)s1 8914176 PEAGAVFGTFBQLD-UHFFFAOYSA-N 342.399 4.106 0 50 EIAA CCN1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 12385638 VKTXEJIEKRIODC-UHFFFAOYSA-N 342.414 4.288 0 50 EIAA CCC(C)(C)[C@H]1CCCN1C(=O)Cc1csc(-c2ccccn2)n1 133497448 DKYGFZXVCNQPHI-MRXNPFEDSA-N 343.496 4.175 0 50 EIAA O=C(CCCn1cccc1)N1CCC[C@H]1c1nc2ccccc2s1 158706705 CGOICQIXQFVYFZ-INIZCTEOSA-N 339.464 4.242 0 50 EIAA O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@@H]1C1CCC1 170620937 IXSJNEYYCPAXND-QGZVFWFLSA-N 329.831 4.135 0 50 EIAA CC[C@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1c(C)noc1C 187293167 HHAROSJLFJKTKE-DZGCQCFKSA-N 348.472 4.054 0 50 EIAA CN(c1ccccc1)c1ccc(CN2CCC[C@H](CCCO)C2)cc1 216260517 CHXLIGNDBDMSME-LJQANCHMSA-N 338.495 4.439 0 50 EIAA CC[C@@H](NC(=O)c1ccc(-c2cccc(F)c2)cc1)c1nc(C)no1 223415931 FWYKRJBBOSLJBG-QGZVFWFLSA-N 339.370 4.065 0 50 EIAA CC(C)N(C)c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cn1 239807510 CSOZRPDYXKLMDU-GOSISDBHSA-N 343.446 4.069 0 50 EIAA C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2Br)CCC[C@H]1C 248127806 XOMHVCZHUORLPF-BFVZDQMLSA-N 328.225 4.143 0 50 EIAA Cc1csc([C@H](NC(=O)Nc2c(C)cccc2C)C(F)(F)F)n1 296720161 BVLSAKOQRWYCKT-LBPRGKRZSA-N 343.374 4.493 0 50 EIAA Cc1cc(NC(=O)NCCCOC2CCCC2)c(Cl)cc1F 299769594 OBFYRRXTSLHRIY-UHFFFAOYSA-N 328.815 4.258 0 50 EIAA O=C(Nc1cnccc1-c1ccccc1)c1ccc(C(F)(F)F)nc1 344217874 NMCOPIUDGGMCGH-UHFFFAOYSA-N 343.308 4.415 0 50 EIAA CC(=O)Nc1cccc([C@@H](C)NCCCc2cncc3ccccc23)c1 408525540 UACCZXIMDGZUMR-MRXNPFEDSA-N 347.462 4.477 0 50 EIAA Cc1cc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)c(Cl)cc1F 534590031 VAOMUUSIDODQIG-UHFFFAOYSA-N 348.849 4.088 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(F)c2F)c(C)c1 952975952 MGHBGFHSHQSXSL-UHFFFAOYSA-N 336.313 4.013 0 50 EIAA CC(C)c1ccncc1NC(=O)[C@H]1CCOc2ccc(Cl)cc21 1875312078 HDVIHSHBHMLFNR-AWEZNQCLSA-N 330.815 4.363 0 50 EIAA O=C(Nc1ccc(Cl)c2ncccc12)N[C@H]1C[C@@H]2CSC[C@@H]2C1 2325865332 YSJBRPWHTPQEDX-GDNZZTSVSA-N 347.871 4.151 0 50 EIAA CC[C@H](C)Cc1nc(-c2ccnn2C(C)C)n(Cc2cccs2)n1 2356161445 WGPUPHOGONVMGU-AWEZNQCLSA-N 343.500 4.421 0 50 EIAA COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCCC2 130328 HSPLHVOLFSLZIZ-UHFFFAOYSA-N 343.448 4.364 0 50 EIAA CCSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 197582 HIGDTZJREZTXSH-CQSZACIVSA-N 342.449 4.215 0 50 EIAA C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2s1 306948 UKLQFIPWZBRUBP-SNVBAGLBSA-N 332.812 4.356 0 50 EIAA CCOC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)nc1C 483089 VQFCJGMDPFWWJK-UHFFFAOYSA-N 332.425 4.004 0 50 EIAA O=C1C[C@H](c2ccccc2)Cc2nc(N3CCc4ccccc43)ncc21 540143 XWKHRPYKFJBBTB-QGZVFWFLSA-N 341.414 4.084 0 50 EIAA C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 619429 ZVFUKBNUUDHJRR-CQSZACIVSA-N 334.375 4.023 0 50 EIAA O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1COc2ccccc2O1 3554077 IOUKAASEODZPSG-HXUWFJFHSA-N 347.370 4.257 0 50 EIAA C[C@@H]1CCc2c(-c3nnc(S)n3Cc3ccccc3)csc2C1 6556192 OUYIHEQAPFOZLC-GFCCVEGCSA-N 341.505 4.468 0 50 EIAA Cc1cccc(C)c1NC(=O)c1nc(SC(C)C)ncc1Cl 6748064 KUKNTWNRWLTOFW-UHFFFAOYSA-N 335.860 4.500 0 50 EIAA Cc1ccccc1CNC(=O)c1cc(C[C@@H](C)c2ccccc2)no1 14878590 NQGPXPKOFQGXLE-MRXNPFEDSA-N 334.419 4.259 0 50 EIAA CSc1cccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)c1 20774850 OYVPQXHFSKHAOD-SFHVURJKSA-N 344.499 4.302 0 50 EIAA CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc(F)c(F)cc1Cl 55154287 YREMDHRUPUNEHO-NSHDSACASA-N 338.785 4.454 0 50 EIAA Cc1ncsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71753439 HIAAXFQAFFGUFQ-HNNXBMFYSA-N 332.444 4.076 0 50 EIAA CCc1nccc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)n1 71758809 COSSIWMQLOQEEY-OAHLLOKOSA-N 345.437 4.162 0 50 EIAA CC(C)OC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 96026440 DMDYLVAVEWWUGG-HNNXBMFYSA-N 330.255 4.472 0 50 EIAA C[S@@](=O)c1cccc(N[C@H](c2ccccc2)c2ccc(F)cn2)c1 170594424 LYCQSKLLUKYIPA-NTKDMRAZSA-N 340.423 4.160 0 50 EIAA CC(C)COc1ccc(CNc2cccc3c2OCC[C@@H]3O)cc1 184061789 XIXZIRRZVWRKFB-IBGZPJMESA-N 327.424 4.149 0 50 EIAA CC(C)n1ccnc1CNC(=O)c1cc(C(F)(F)F)ccc1Cl 223037607 UPEPDIZQZGZWHN-UHFFFAOYSA-N 345.752 4.066 0 50 EIAA CC(C)CCn1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)n1 242106184 WHSIVBGFYTYUFU-LBPRGKRZSA-N 346.397 4.124 0 50 EIAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 248246578 MKXGCYXVFZXYOM-XQLPTFJDSA-N 341.373 4.036 0 50 EIAA CC[C@@H]1C[C@H](CC(=O)NCc2nc(-c3ccccc3)cs2)CCO1 272722121 AGLAZOCELLDHRM-GDBMZVCRSA-N 344.480 4.022 0 50 EIAA CC(=O)N1CCC[C@H](c2nc(C3(c4ccccc4)CC3)c(C)s2)C1 290023915 XJYRGKBSCFIOOK-INIZCTEOSA-N 340.492 4.257 0 50 EIAA OC[C@@H]1C[C@@H](N[C@H]2CCCOc3cc4c(cc32)CCC4)c2ccccc21 364924600 BAANNAJBSCDOKI-BULFRSBZSA-N 349.474 4.200 0 50 EIAA O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)[C@H]1CCCO1 411113092 MWADAIRIXWFZMU-SECBINFHSA-N 328.117 4.130 0 50 EIAA CC[C@H](NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1cccs1 822662130 FHZUMSIMDLGVHW-HNNXBMFYSA-N 332.469 4.215 0 50 EIAA O=C(c1ccncc1Cl)N1CCCC[C@@H]1CCc1cccs1 952974817 WWJJQVPOFUYMIQ-CYBMUJFWSA-N 334.872 4.424 0 50 EIAA Cc1ncc2c(n1)[C@]1(CCCN(c3cc(C)c4ccccc4n3)C1)CC2 1704311308 DVZLRHJNJNTOCU-JOCHJYFZSA-N 344.462 4.126 0 50 EIAA c1ccc([C@H]2[N@@]3[C@@H]([C@H]3c3ccccc3)[C@]3(c4ccccc4)O[N@]23)cc1 1857795330 JEKWBADSIIAEGZ-UPEGVSDWSA-N 326.399 4.225 0 50 EIAA NC(=O)c1cccc(Nc2ccc3oc(-c4ccccc4)nc3c2)c1 2356147489 YMCOKIOAFHLLDI-UHFFFAOYSA-N 329.359 4.337 0 50 EIAA COc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCCC2)cc1OC 104886 HRSMIQMZIVNWLC-UHFFFAOYSA-N 343.398 4.293 0 50 EIAA O=C(CSCc1cccc(Br)c1)NC1CCCCC1 192742 MQAGPUACXJXLEE-UHFFFAOYSA-N 342.302 4.131 0 50 EIAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2F)c1 456024 PCZDEHRLCIPLFJ-LLVKDONJSA-N 346.427 4.172 0 50 EIAA CSc1nnc2c(n1)O[C@@H](c1ccccc1C)Nc1ccccc1-2 457987 MTNQYPOREHIBEJ-INIZCTEOSA-N 336.420 4.072 0 50 EIAA Cc1cccc(O[C@@H](C)C(=O)Oc2ccc(Br)cc2)c1C 463915 QIHCFUCCMFLHIS-ZDUSSCGKSA-N 349.224 4.439 0 50 EIAA CCOc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1 464833 SRQGFLFHMYMJOB-UHFFFAOYSA-N 326.348 4.383 0 50 EIAA biogenic COc1ccc(Cl)cc1C(=O)Nc1cc(C)nc2ccccc12 2749709 QBAOWZNXRIJTKD-UHFFFAOYSA-N 326.783 4.458 0 50 EIAA CCOc1ccc(NCc2cc(Br)ccc2OC)cc1 2817959 ZFFRYAYKFFDCBG-UHFFFAOYSA-N 336.229 4.469 0 50 EIAA CC1=C(C)C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C(=O)O)C1 2942792 LYWUAZCAWKLZHC-ZIAGYGMSSA-N 341.329 4.091 0 50 EIAA CN1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1 5224245 MXYUKLILVYORSK-PCCBWWKXSA-N 337.463 4.236 0 50 EIAA biogenic,in-vitro Cc1ccccc1-c1noc(CNC(=O)c2ccc(C(C)(C)C)cc2)n1 6702350 GVZRQSOLEAMQJK-UHFFFAOYSA-N 349.434 4.273 0 50 EIAA Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc[nH]1 12305765 TVQPCUOFOFCYBD-JOCHJYFZSA-N 342.446 4.347 0 50 EIAA COc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(C)c(C)c2)C1 12308623 DDCXWWDXJMMEOA-SFHVURJKSA-N 338.451 4.029 0 50 EIAA Cc1ccccc1-c1nnc(NC(=O)Nc2ccccc2F)s1 13550365 TVCXJCSYKNVSDJ-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA Cc1noc(C)c1Cn1ccc(-c2cccc(-c3nccs3)c2)n1 20907824 PGBLKSXIZRNMNA-UHFFFAOYSA-N 336.420 4.327 0 50 EIAA COc1cccc([C@H]2CCCCN2Cc2ccnc(C(C)C)n2)c1 72412453 BQSYPTUOJIIZRS-LJQANCHMSA-N 325.456 4.336 0 50 EIAA O=C(c1ccc2cccc(F)c2n1)N1CCCC[C@H]1c1cccnc1 91931592 JSERMHBVDBOQKX-SFHVURJKSA-N 335.382 4.136 0 50 EIAA CCN(CC)CCSc1ccccc1NC(=O)c1ccccc1 96028054 UJFAIJZADRKNAO-UHFFFAOYSA-N 328.481 4.373 0 50 EIAA c1ccc(-c2ccnc(NCCCc3nc4ccccc4s3)n2)nc1 97815255 VNEOQJAQPPIRMP-UHFFFAOYSA-N 347.447 4.193 0 50 EIAA Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(F)cc1C)CCC2 111709815 HUFBXVIIWPIQQI-HNNXBMFYSA-N 333.432 4.440 0 50 EIAA Cc1oc(-c2ccco2)nc1CS(=O)(=O)[C@H](C)c1ccccc1F 195043347 ZQTSQBACEYIDNB-GFCCVEGCSA-N 349.383 4.058 0 50 EIAA C1=C[C@H]2[C@@H]3C[C@H](C[C@@H]3OCCO[C@@H]3C[C@H]4C[C@H]3[C@@H]3C=CC[C@@H]34)[C@H]2C1 253596307 PSUKSRYRAXNSIY-QYOYCMEZSA-N 326.480 4.221 0 50 EIAA CC(C)c1csc([C@@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 263576957 QYZYNHFVBZWFMB-MRXNPFEDSA-N 344.480 4.344 0 50 EIAA Cc1nnc([C@H](C)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)s1 366914600 WZNFTQQAWGWXJL-NSHDSACASA-N 344.459 4.408 0 50 EIAA CCn1cc(CNC(=O)N(Cc2ccsc2)C2CCCCC2)cn1 426535208 QQRHLMZULISDQP-UHFFFAOYSA-N 346.500 4.009 0 50 EIAA CN(Cc1cnc2ccccc2n1)[C@@]1(c2ccccc2)CCCCC1=O 660365544 MNIGAEYGGDAEHM-JOCHJYFZSA-N 345.446 4.100 0 50 EIAA COc1cc(OC)c(N[C@@H](C)c2ccc3c(c2)OCCCO3)cc1F 777704786 SYBADUHPLCCTPB-LBPRGKRZSA-N 347.386 4.177 0 50 EIAA C[C@H]1CC(F)(F)CCN1C(=O)Cc1ccc(SC2CC2)cc1 827453202 AWFCRUZYENOFDY-LBPRGKRZSA-N 325.424 4.130 0 50 EIAA CC(C)(C)NC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)o1 1772814933 AFRZPGLNOLQBHL-UHFFFAOYSA-N 343.301 4.079 0 50 EIAA COc1ccc(-c2ccccc2Nc2ncc(C)c(N(C)C)n2)cc1 2100543508 SJQFBJYDQWYMCG-UHFFFAOYSA-N 334.423 4.270 0 50 EIAA Cc1cc2ccc(-c3noc([C@@H]4C[C@H]4c4ccncc4F)n3)cn2c1 2325854483 GMVNBHLPCWMBGA-JKSUJKDBSA-N 334.354 4.103 0 50 EIAA OCC1(Cc2cccc(-c3cc(F)cc(Cn4ccnc4)c3)c2)CC1 2325855898 SYOVFVFOQNDTDX-UHFFFAOYSA-N 336.410 4.053 0 50 EIAA Cc1ccc(NC(=O)COc2ccccc2Br)cc1C 141182 SYHTYAFSZQYSSQ-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA O=C(OCc1ccccc1)c1ccc(OC(=O)c2cccs2)cc1 149539 HNBMGXIKOUSQJC-UHFFFAOYSA-N 338.384 4.324 0 50 EIAA CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(C)C)cc1 242930 KGPZASWNRPVDKT-QGZVFWFLSA-N 338.451 4.162 0 50 EIAA Cc1nc2ccccc2n1C[C@H](O)COc1ccc([C@H]2C=CCC2)cc1 253552 PHVULJJAKOZNEN-HKUYNNGSSA-N 348.446 4.218 0 50 EIAA COc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 260841 ZKOVNAYBWUDEIT-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA COC(=O)N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 404180 XKZUAVPCBIFLIB-HXUWFJFHSA-N 347.414 4.020 0 50 EIAA COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)CCCC2 565859 SHZMCGWKFYEYOB-UHFFFAOYSA-N 345.826 4.245 0 50 EIAA Cc1cccc(-c2nc(=S)c3c(n2CCCN(C)C)CCCC3)c1 4826061 AFWQBRNRQROILG-UHFFFAOYSA-N 341.524 4.419 0 50 EIAA Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Br)c1 4840191 XAGXWRFEDFUBLN-GFCCVEGCSA-N 334.213 4.164 0 50 EIAA Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3cccc(O)c3)c12 4934805 YYPRZNYKFWTMSI-UHFFFAOYSA-N 334.379 4.139 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)on1 20911870 DPGXRBWAQAHNBS-CQSZACIVSA-N 332.831 4.471 0 50 EIAA CC(C)c1nc(CN(C)Cc2coc3ccccc3c2=O)cs1 65432199 CPCKYEMEOOTADH-UHFFFAOYSA-N 328.437 4.005 0 50 EIAA Cc1cc(C)c(NC(=O)CN(C)CCO[C@H]2CCCC[C@H]2C)c(C)c1 230197496 VXMHYJLIVVYGJE-APWZRJJASA-N 346.515 4.077 0 50 EIAA Fc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c(F)c1 39769816 VOXCPUZBKUNEOO-UXHICEINSA-N 334.454 4.194 0 50 EIAA Cc1ccccc1CCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 504273812 GQADHGWZAWOZFC-HXUWFJFHSA-N 339.435 4.124 0 50 EIAA CC(=O)c1cc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cs1 72146455 FZWZMYUBOZDXEZ-KRWDZBQOSA-N 339.464 4.473 0 50 EIAA O=C(c1cc(Cl)c[nH]1)N(C/C=C/c1ccccc1)C[C@@H]1CCCO1 426580636 DPAOCAKFXOXIQZ-AUNFYEFLSA-N 344.842 4.003 0 50 EIAA CO[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1 96165509 SXYNSRHGHYFPRD-SFHVURJKSA-N 344.386 4.261 0 50 EIAA Fc1ccc(-c2csc(N3CCC[C@@H](N4CCCC4)CC3)n2)cc1 301602574 KJZVTQVGXJYUOJ-QGZVFWFLSA-N 345.487 4.404 0 50 EIAA COC[C@@H](C)Nc1ncnc2scc(-c3ccc(C)c(C)c3)c12 170595470 AFCBLEMCJWUWEZ-CYBMUJFWSA-N 327.453 4.422 0 50 EIAA FC(F)(F)Oc1ccccc1NCc1cnn(-c2ccccc2)c1 170624112 RHRFZULYQJTSEO-UHFFFAOYSA-N 333.313 4.383 0 50 EIAA CN(C(=O)c1cc(Cl)cs1)[C@H]1CCCN(Cc2ccccc2)C1 758523119 DJRGGZRMURTPIP-INIZCTEOSA-N 348.899 4.138 0 50 EIAA Cc1cc(C)cc(CSCC(=O)NCCSc2ccccc2)c1 5051330 QEEQRKOIALFJQT-UHFFFAOYSA-N 345.533 4.445 0 50 EIAA COc1ccccc1-c1csc(NC(=O)c2sc(C)nc2C)n1 5183502 NVTYTRKEKSCBDS-UHFFFAOYSA-N 345.449 4.144 0 50 EIAA O=C(CC1CC1)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12330830 FUBDBQCPJNDXCN-OAHLLOKOSA-N 347.867 4.288 0 50 EIAA Cc1c([C@@H](C)NCc2ccccc2F)cnn1-c1cccc(F)c1 12458778 ABLHTXBGHNRBHG-CYBMUJFWSA-N 327.378 4.310 0 50 EIAA C[C@H]1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C[C@@H](C)O1 13370453 AVGKSJIJRPKZAM-IYBDPMFKSA-N 346.430 4.151 0 50 EIAA C[C@@]12CC3CC(CNC(=O)COc4ccccc4)(C1)C[C@](C)(C3)C2 13618560 QJTXWWPOTFUUSK-SHYIKFMPSA-N 327.468 4.178 0 50 EIAA Cc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169775678 SJTIUVNWJZSGJQ-UHFFFAOYSA-N 343.390 4.114 0 50 EIAA Cc1ccc2c(c1)c1c3n2CC(=O)N(Cc2ccccc2)[C@@H]3CCC1 37000 BTMBHMLYKYNQTE-HXUWFJFHSA-N 330.431 4.370 0 50 EIAA COc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 384131 IYFFRHUOOJIBNK-OAQYLSRUSA-N 346.382 4.476 0 50 EIAA COc1ccc(Cl)cc1NC(=S)N1CCc2ccccc2C1 612283 BTWJMSBGUZRZBY-UHFFFAOYSA-N 332.856 4.104 0 50 EIAA COc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OC(F)F 2796742 FLVLAVCKJNLXBI-UHFFFAOYSA-N 327.714 4.202 0 50 EIAA Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(F)ccc12 4981912 NRWYUALUNVBRHS-UHFFFAOYSA-N 339.389 4.148 0 50 EIAA CCOc1ccc2ccccc2c1CNCc1ccc2c(c1)OCO2 5019191 BPMDRLNWWIFGBG-UHFFFAOYSA-N 335.403 4.257 0 50 EIAA Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@@H](CNC(=O)C1CC1)C2 11880891 DFSLYVVSZWOQST-QGZVFWFLSA-N 341.838 4.145 0 50 EIAA CCCCc1nc2cc(C(=O)N[C@@H](C)CCCC(C)(C)O)ccc2o1 12713044 PWRLXYPNYIYRRN-AWEZNQCLSA-N 346.471 4.230 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)Nc1ccc(Cl)cc1F 20435919 GDMAZAGBCASNCO-UHFFFAOYSA-N 325.796 4.458 0 50 EIAA CC(=O)c1ccc(N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1 22077560 NBHTWSJRZCGZFU-UHFFFAOYSA-N 345.446 4.072 0 50 EIAA Fc1cccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)c1 25759552 LRNDDTBEQUWZOZ-UHFFFAOYSA-N 338.213 4.098 0 50 EIAA biogenic COc1ccc(COc2cc(Cl)nc(-c3ccccc3)n2)cc1 40566607 RVCLRWUKMWCGIB-UHFFFAOYSA-N 326.783 4.385 0 50 EIAA in-vitro CCC[C@@H](C)c1c(-c2ccccc2)ncn1Cc1cc(COC)[nH]n1 67713872 OTDZHNAMFVWGNR-OAHLLOKOSA-N 338.455 4.372 0 50 EIAA CSc1cccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)c1 79066241 CCOUSCYQTDYWBR-KRWDZBQOSA-N 328.437 4.014 0 50 EIAA Cc1noc(-c2ccccc2)c1NC(=O)N1CCC[C@H]1c1ccncc1 126359739 MJRZOWXPJTUXID-KRWDZBQOSA-N 348.406 4.414 0 50 EIAA CC(C)c1ccccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 183911150 LVZQATORWAEZQQ-NRFANRHFSA-N 336.435 4.473 0 50 EIAA Cc1cnccc1CNC(=O)c1cccc(N[C@@H](C)C(C)C)c1C 187440030 SJGJTJZXDPOLJY-INIZCTEOSA-N 325.456 4.085 0 50 EIAA Cc1ccccc1-c1ccccc1C(=O)N[C@@H](C)c1cn(C)nc1C 215886557 GYXBAJIDKJWMGG-HNNXBMFYSA-N 333.435 4.195 0 50 EIAA COc1cccc(-c2cccc(C(=O)N(C)C3CCSCC3)c2)c1 222531009 NMSWNUVNWHVCIR-UHFFFAOYSA-N 341.476 4.330 0 50 EIAA O=C(Nc1ccc(-c2ccco2)cc1F)N[C@@H]1CCO[C@H](C2CC2)C1 253432007 ILWULWURFSINEV-KDOFPFPSSA-N 344.386 4.165 0 50 EIAA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CN1CC1 253498638 YAZNTOPQJPATQT-UNHJQWNMSA-N 331.544 4.466 0 50 EIAA biogenic CC(C)[C@@H]1C[C@H](Nc2cccc(CN3CCC[C@@H]3C(=N)O)c2)CS1 331380852 IQQKRJCOWHHCOJ-KSZLIROESA-N 347.528 4.128 0 50 EIAA C[C@@H]1CCN(C(=O)Nc2cccc3c2CCO3)[C@H](c2ccco2)C1 408397432 VILLGVUJCVRJOC-CJNGLKHVSA-N 326.396 4.220 0 50 EIAA O=C(CCCF)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 851032566 UVRMDGZEWYPATA-AWEZNQCLSA-N 345.201 4.224 0 50 EIAA O=C(Nc1cc2c(cn1)CCCC2)N1CCC[C@@H]1c1ccc(O)cc1 931510005 CKJCCRBHYJCVSK-GOSISDBHSA-N 337.423 4.035 0 50 EIAA CC(C)c1ccc(CN(C(=O)[C@H]2CCCCCN2C)C2CC2)cc1 952963517 KQBRMGMAOSPPTD-HXUWFJFHSA-N 328.500 4.175 0 50 EIAA O[C@@H](c1cccs1)C1CCN(Cc2cc3ccccc3o2)CC1 952978828 YJEJIILUILDSJX-LJQANCHMSA-N 327.449 4.440 0 50 EIAA COc1cn(C)nc1[C@@H](C)Nc1ccc(-c2nc(C)cs2)cc1 1875285412 MQHFRBZGKYHOQF-GFCCVEGCSA-N 328.441 4.034 0 50 EIAA CC1CCN(Cc2ccc(NCc3ccnc4[nH]ccc34)cc2)CC1 2325861172 HURMZANVAADARB-UHFFFAOYSA-N 334.467 4.407 0 50 EIAA CC[C@H](C)[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O 237091 YCUGYQJADWATHB-XHDPSFHLSA-N 341.436 4.270 0 50 EIAA COc1ccc(OC)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 296100 LKEGSDOAPBAMBS-UHFFFAOYSA-N 347.414 4.474 0 50 EIAA Cc1ccc(C)c(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c1 364566 OJWGBTKLNVXLPM-CYBMUJFWSA-N 337.678 4.184 0 50 EIAA Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccccc4)on3)ccc12 2791361 VZHTXVKHFVYEDW-UHFFFAOYSA-N 346.342 4.009 0 50 EIAA COc1ccccc1-c1nnc2sc(-c3ccc(C)c(C)c3)nn12 4664944 QYRDKIHCQBPNLS-UHFFFAOYSA-N 336.420 4.145 0 50 EIAA Cc1ccc(SCC(=O)NCCSCc2ccccc2C)cc1 4699063 ALPAWHSXMIEQNU-UHFFFAOYSA-N 345.533 4.445 0 50 EIAA COC(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 6701670 WKYVLNFLVCHAAX-UHFFFAOYSA-N 348.280 4.209 0 50 EIAA O=C(Nc1ccc(Br)cn1)c1csc2ccccc12 13746834 FSJGQYVZSVDIPD-UHFFFAOYSA-N 333.210 4.311 0 50 EIAA CCn1ccnc1Cn1ccc(-c2cccc(-c3cccc(C)n3)c2)n1 19218133 GGSZMKAIKLLTAB-UHFFFAOYSA-N 343.434 4.185 0 50 EIAA COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1cccc(C)c1 36619734 IRAAXXHLKAQGAK-HNNXBMFYSA-N 344.436 4.212 0 50 EIAA O=C1C[C@H](Cn2cnc(-c3ccccc3)c2C2CC2)CN1C1CCCC1 65383941 QSNVGDRHOGQRBR-MRXNPFEDSA-N 349.478 4.219 0 50 EIAA CC[C@H](c1nccs1)n1cnc(-c2ccccc2)c1-c1nccn1C 65398441 XRJARFMRCJKXLS-OAHLLOKOSA-N 349.463 4.407 0 50 EIAA COc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1ncc[nH]1 67843084 QHDCMDOMWLMXFU-UHFFFAOYSA-N 348.381 4.136 0 50 EIAA FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2c[nH]cn2)C1 71639358 RFOFOUQVOFJCTC-CQSZACIVSA-N 337.389 4.273 0 50 EIAA Cc1cn2cc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)ccc2n1 82115540 HKUOVMWJAIPQFM-SFHVURJKSA-N 337.398 4.149 0 50 EIAA ClC1=C(Cl)[C@@]2(Cl)[C@H]3COC[C@H]3[C@@]1(Cl)C2(Cl)Cl 100353285 CKPWHXBGVRURFU-KJQSODDZSA-N 342.864 4.095 0 50 EIAA in-vitro CCC(CC)n1nc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1C 182949395 GPGBQAWNQQOMQV-UHFFFAOYSA-N 343.456 4.257 0 50 EIAA Cn1c(NCc2cnc(-c3ccco3)s2)nc2cc(F)ccc21 192756858 ZHJDPHDPWGARJI-UHFFFAOYSA-N 328.372 4.041 0 50 EIAA COc1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)ccc1F 218852513 OOJUIZBRLBJMGQ-CQSZACIVSA-N 333.790 4.117 0 50 EIAA CC(C)(C)n1ccc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)c1 222782761 WOJLHJBNDJIBPF-LJQANCHMSA-N 339.483 4.266 0 50 EIAA COc1ccc2nc(/C=C/c3cn(C4CCC4)nn3)ccc2c1Cl 656612591 GNFUQPNEPHXXLF-AATRIKPKSA-N 340.814 4.384 0 50 EIAA COc1ccc(CN[C@H](C)CC(C)(C)c2ccccc2)cc1C(=O)O 952981722 JWQJUUSVZNZFNK-OAHLLOKOSA-N 341.451 4.239 0 50 EIAA CCc1ccc(-c2n[nH]c(SCC[C@@H](O)c3ccccc3)n2)cc1 1321817801 BKSDYHGGQLRJCC-QGZVFWFLSA-N 339.464 4.250 0 50 EIAA CNc1nc(C(=O)N(Cc2cccc(C)c2)C2CCCCC2)cs1 1506403104 QZTPJFDIYDNZNF-UHFFFAOYSA-N 343.496 4.468 0 50 EIAA CC(C)c1cc(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)on1 1529126303 ABJHAYCIWFCKGD-MOPGFXCFSA-N 342.439 4.036 0 50 EIAA Cc1ccc(CNC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 1775971653 ZIWXMTLLUDXGNQ-IBGZPJMESA-N 344.458 4.254 0 50 EIAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc(C)c1C 89566 ULFXUQARNWBNLJ-LSDHHAIUSA-N 343.448 4.284 0 50 EIAA c1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1 349628 OCOYXPRIWSLHAL-UHFFFAOYSA-N 344.462 4.442 0 50 EIAA biogenic CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)cc12 453199 RTIBLQQLUBXQDX-UHFFFAOYSA-N 341.432 4.353 0 50 EIAA O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Oc1ccccc1 472149 YHPLBNDVZQDUHH-UHFFFAOYSA-N 333.343 4.460 0 50 EIAA O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)cc2F)cs1 476058 GRZWXAFIZZTGCZ-GQCTYLIASA-N 332.331 4.333 0 50 EIAA CCCC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 621312 CDBHAFCWJRUVKK-UHFFFAOYSA-N 330.815 4.009 0 50 EIAA CSc1ccc(-c2nn(-c3cccc(Cl)c3)cc2CO)cc1 2541934 KBTNUJBRJNARDG-UHFFFAOYSA-N 330.840 4.407 0 50 EIAA CCCCOc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 2837849 CLADGHMFLNLRKU-UHFFFAOYSA-N 327.468 4.420 0 50 EIAA CCOc1cccc(OCCOc2ccccc2Br)c1 2984901 OJUIDVHKCLHJBL-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA Oc1nc(/C=C/c2cccc(Br)c2)cc(C(F)(F)F)n1 4147206 DMNBJHFWSKYYJK-SNAWJCMRSA-N 345.118 4.134 0 50 EIAA CN(C)Cc1ccccc1[C@]1(c2ccccc2)OC(=O)c2ccccc21 4760189 OCTZKNCAOSCYOX-QHCPKHFHSA-N 343.426 4.211 0 50 EIAA O=C(Cc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O 4828929 RUCCAGJXGOZENH-UHFFFAOYSA-N 339.778 4.373 0 50 EIAA COCCCn1c(S)nnc1[C@H](C)Oc1ccc(C(C)(C)C)cc1 6851183 WSZNHZDYBHXCHH-ZDUSSCGKSA-N 349.500 4.041 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccccc1F)NCc1ccncc1 12307413 AGMKKGOVTMDLBW-LJQANCHMSA-N 334.394 4.059 0 50 EIAA Cc1ccc(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)o1 14977638 GJJXRNKKPORURF-UHFFFAOYSA-N 344.474 4.114 0 50 EIAA CCCC[C@H](CC)C(=O)NCCCCNC(=O)[C@H](CC)CCCC 16247039 QRZVUHFUVORLGW-HDICACEKSA-N 340.552 4.432 0 50 EIAA CCCc1cc(CN(C)Cc2c[nH]nc2-c2cc3ccccc3o2)[nH]n1 19301150 AICLRSOHMRTFBM-UHFFFAOYSA-N 349.438 4.131 0 50 EIAA CC(C)(C)C(=O)Nc1cc(Br)cc(Br)c1 38536948 FQRDVBBRQWCCSC-UHFFFAOYSA-N 335.039 4.196 0 50 EIAA COCC1(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C(C)C)CCC1 55413602 WFRPICJJXBFWDY-LJQANCHMSA-N 340.467 4.066 0 50 EIAA CC(C)C(=O)Nc1cccnc1-c1cccc([C@H](C)N2CCCC2)c1 65406898 KFONZZUBYWHEFU-INIZCTEOSA-N 337.467 4.500 0 50 EIAA Cc1ccc([C@@H](C)NC(=O)c2cc(COc3ccccc3)[nH]n2)c(C)c1 67689024 UWFVGKQCYGYIJY-MRXNPFEDSA-N 349.434 4.097 0 50 EIAA CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 77524157 KCWONDWZICQTPW-IBGZPJMESA-N 325.383 4.396 0 50 EIAA COc1cccc(-c2ncc(CN(C)Cc3c(C)noc3C)s2)c1 214952041 LLSVRTYCARIPPZ-UHFFFAOYSA-N 343.452 4.056 0 50 EIAA CN(C)[C@H]1CCCN(Cc2ccc(Cl)cc2Br)CC1 225442717 UXJOTBUUEDJGTL-AWEZNQCLSA-N 345.712 4.019 0 50 EIAA C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C(F)(F)F)C1 229178501 KQPLJPLDBPQFIU-VHSXEESVSA-N 331.363 4.133 0 50 EIAA CC(C)c1ccccc1OC[C@H](O)CN1CC[C@H]2CCCC[C@H]2C1 252370582 YHPJZFFADHNXOR-CEXWTWQISA-N 331.500 4.062 0 50 EIAA Cc1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCc3cccnc32)co1 253425068 OKLMOISEIBZPSQ-CQSZACIVSA-N 338.329 4.065 0 50 EIAA Cc1nc(C)c(C(=O)N=c2cc(-c3ccccc3)[nH]c3ccccc23)o1 680885204 BWEDAZBTGVQBEC-UHFFFAOYSA-N 343.386 4.181 0 50 EIAA Cc1ccc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)c(F)c1F 1458148739 RIFCOQKPRLEYEE-CYBMUJFWSA-N 331.240 4.129 0 50 EIAA CCCCc1nc(-c2nccn2CC[C@H]2CCCOC2)c(Cl)[nH]1 1857697005 HXHQPCJWIOKOCU-CYBMUJFWSA-N 336.867 4.086 0 50 EIAA COc1ccc2ccc(OC)c(-c3nccn3C3CCOCC3)c2c1 1857714121 RUTFXXIPTXWDIZ-UHFFFAOYSA-N 338.407 4.072 0 50 EIAA CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@H]1[C@H]2C 2084292139 ABFSDSQOZYJGJO-KHDPWXAISA-N 347.455 4.320 0 50 EIAA O=C(CCCc1ccncc1)O[C@H]1CCC[C@H]1Oc1cccc(F)c1 2325855131 JIZOJGJDDZHJML-MOPGFXCFSA-N 343.398 4.087 0 50 EIAA CCCN1CCC[C@@]2(CCCN2Cc2ccc(C(C)C)cc2)C1=O 2356167665 XJTUYFATYHBQMZ-OAQYLSRUSA-N 328.500 4.177 0 50 EIAA Cc1c(OC(=O)C2CCCCC2)ccc2c3c(c(=O)oc12)CCCC3 91077 OFLZHJVNTIOHMI-UHFFFAOYSA-N 340.419 4.466 0 50 EIAA COc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 341462 HYSLDRMKYPCSEV-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2C)cc1 469938 ADKSPVCEFKPQNP-CYBMUJFWSA-N 341.407 4.224 0 50 EIAA CC(C)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 476325 KDRDRJRTVGJLPF-UHFFFAOYSA-N 342.870 4.426 0 50 EIAA COc1ccc(-c2cc(C(=O)O)c3ccc(C)c(C)c3n2)cc1OC 1459174 HYUGUHNJRYQLAY-UHFFFAOYSA-N 337.375 4.234 0 50 EIAA Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)no1 1794255 MDWLVJCLJQXBQY-UHFFFAOYSA-N 329.183 4.088 0 50 EIAA CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 2522669 PJMPHNIQZUBGLI-UHFFFAOYSA-N 336.479 4.137 0 50 EIAA biogenic,fda COc1ccc(Cl)cc1NC(=O)c1sccc1Br 4542008 NRFJTTPWSYRUNT-UHFFFAOYSA-N 346.633 4.425 0 50 EIAA C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)ON1C 5211493 LJAMJJBEGUHOSV-DYVFJYSZSA-N 345.830 4.138 0 50 EIAA C[C@H](NCCCCc1ccccc1)[C@H](O)c1ccc2c(c1)CCS2 6021137 FJLRGFADCXTJNV-KKSFZXQISA-N 341.520 4.369 0 50 EIAA in-man C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccccc2)s1 8739652 LJPGIBCFTXHGPZ-LBPRGKRZSA-N 340.408 4.322 0 50 EIAA Cc1ccc(C)c(-n2nnc(C(=O)Nc3c(C)cccc3C)c2C)c1 11690640 IFYWPMVGXYADPG-UHFFFAOYSA-N 334.423 4.062 0 50 EIAA O=C(O)c1ccccc1C(=O)Nc1ccccc1OCc1ccccc1 12138001 CHNOINTUYDGUFT-UHFFFAOYSA-N 347.370 4.216 0 50 EIAA C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2Cl)C1 13331323 VBWLZRXCDZUBDD-AOOOYVTPSA-N 330.653 4.221 0 50 EIAA Cc1cccc(Cn2nc(C)c(NC(=O)NC3CCCCC3)c2C)c1 13331647 LLNMTIUFMRTSKU-UHFFFAOYSA-N 340.471 4.311 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1cccnc1 22462531 SCKFTTQMMQLVPJ-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA CCn1cc(-c2cc(C(=O)N3CCCCC3)c3cccc(C)c3n2)cn1 23543709 ADYYDZAMQZCAEO-UHFFFAOYSA-N 348.450 4.053 0 50 EIAA Clc1ccc(OCCOCCN2CCCCC2)c2ccccc12 23549905 ZONSACTXWMTPMV-UHFFFAOYSA-N 333.859 4.375 0 50 EIAA O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Cl)cc1 44916353 MLBHXIKYVLSHTO-INIZCTEOSA-N 341.798 4.320 0 50 EIAA CCn1ncc(CN2CCCC[C@H]2c2ccc(CN(C)C)cc2)c1C 72476583 YURSXPWFWHCPAK-NRFANRHFSA-N 340.515 4.000 0 50 EIAA Brc1cnc(OCc2ccccc2)c(Br)c1 74937898 YNNOMHHKXNIXKO-UHFFFAOYSA-N 343.018 4.186 0 50 EIAA in-vitro Cc1nc(-c2ccccc2)oc1C(=O)N1CC(C)(C)Oc2ccccc21 124850844 KUSGLYNHHWAQMN-UHFFFAOYSA-N 348.402 4.468 0 50 EIAA O=C(C1=CCOCC1)N(Cc1cccc2ccccc12)C1CCCC1 187988748 NGUYDYSCCLHHLG-UHFFFAOYSA-N 335.447 4.458 0 50 EIAA Cc1cc(-c2ncccc2NC(=O)N(C)Cc2cccnc2)cs1 189214676 OUSMAIGDSIWZDF-UHFFFAOYSA-N 338.436 4.177 0 50 EIAA CC(C)(CNC(=O)NCc1cccc2cc[nH]c12)c1cccs1 466861239 LTXGQLLSUACWOE-UHFFFAOYSA-N 327.453 4.006 0 50 EIAA CC(=O)Nc1cc(NC(=O)N2CC[C@H]2c2ccc(F)cc2)ccc1C 929727379 HPTNEYKDDIQBKZ-SFHVURJKSA-N 341.386 4.071 0 50 EIAA O=C(c1cccc2nc(C(F)F)[nH]c12)N1CCCC[C@H]1c1ccco1 932983282 YAEGAXAEOIITGP-ZDUSSCGKSA-N 345.349 4.461 0 50 EIAA CCc1c(C(=O)Nc2sc(C)cc2C(N)=O)sc2ccccc12 1875341124 HFFWLZVZIGXHKP-UHFFFAOYSA-N 344.461 4.185 0 50 EIAA C[C@H](c1ccc(Cl)cc1Cl)n1cc(-c2ccc(N)cc2)nn1 2325839882 HUUBGPQQRDVRHR-SNVBAGLBSA-N 333.222 4.443 0 50 EIAA Cc1c(OC(=O)c2ccccc2)ccc2c(C(F)(F)F)cc(=O)oc12 452726 ZQHBIVDCVMNLEJ-UHFFFAOYSA-N 348.276 4.339 0 50 EIAA Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccccc2C)c1 462293 QKDNAODTUYZDRD-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 588420 NFJKZBDELJEFNL-CQSZACIVSA-N 343.423 4.235 0 50 EIAA Cc1sc2ncn(Cc3ccc(C(C)(C)C)cc3)c(=O)c2c1C 936996 WFWSEOZARJRDCL-UHFFFAOYSA-N 326.465 4.421 0 50 EIAA COc1cc(C(=O)Nc2ccc(C(C)C)cc2)cc(OC)c1OC 1227355 DIEZZBOOXUJQQE-UHFFFAOYSA-N 329.396 4.088 0 50 EIAA Fc1ccc(C2=C[C@@H](c3ccccc3Cl)N3N=NNC3=N2)cc1 1813769 ZDKMTIYUFLLFKD-HNNXBMFYSA-N 327.750 4.118 0 50 EIAA COCCCNCCOc1ccc(C(C)(C)c2ccccc2)cc1 3003174 XSWNRULUVLYYDX-UHFFFAOYSA-N 327.468 4.017 0 50 EIAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 4911746 KDEBQLQNMYHNDO-LBPRGKRZSA-N 345.826 4.456 0 50 EIAA COc1cccc(CNCc2cccnc2)c1OCc1ccc(C)cc1 4999705 HZFKHVVJNGYEII-UHFFFAOYSA-N 348.446 4.267 0 50 EIAA CSCCCN1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 12195742 JGZYMZHGBBTVRP-CQSZACIVSA-N 345.430 4.353 0 50 EIAA CCc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)noc2CC)cc1 33087340 RNAPWNPPRWSDNJ-MRXNPFEDSA-N 327.428 4.477 0 50 EIAA Cc1ccc(O)c(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c1 72129630 VZYDWKZSAXGBEV-UHFFFAOYSA-N 330.391 4.251 0 50 EIAA CCCc1oncc1C(=O)N(C)Cc1csc(-c2cccs2)n1 72430050 KUKYOFRQQRKDMV-UHFFFAOYSA-N 347.465 4.084 0 50 EIAA Cc1c(-c2ccccc2)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O 103687758 KWFVCENTLCYJOV-UHFFFAOYSA-N 327.791 4.244 0 50 EIAA Cc1n[nH]c(C)c1NC(=O)c1ccc2cc(Br)ccc2c1 129529722 RLXSHPGGETXZOU-UHFFFAOYSA-N 344.212 4.195 0 50 EIAA Cc1ccc2[nH]c(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2c1C 170629537 QJPZOSVDVRJOJL-UHFFFAOYSA-N 342.402 4.494 0 50 EIAA Cc1ccc([C@@H]2OCCC[C@H]2CN[C@@H](C)c2ccncc2F)cc1 240757071 HWCXYQUEZXKCGI-KNBMTAEXSA-N 328.431 4.348 0 50 EIAA CC(=O)c1cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cs1 244795718 RMIPWSLZHNWZRA-INIZCTEOSA-N 335.856 4.178 0 50 EIAA O=C(c1ccccc1)N1CC[C@H](CSC2=Nc3ccccc3C2)C1 253397762 AQEVXILNYGYJBJ-HNNXBMFYSA-N 336.460 4.168 0 50 EIAA O=C(O)[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H]1C(F)(F)F 299746715 ZINFAKZRTSBSSS-IAGOWNOFSA-N 349.352 4.049 0 50 EIAA O=C(N[C@H]1COCc2ccccc21)c1sccc1SC(F)F 841356916 GPWYQEGJIRILRY-NSHDSACASA-N 341.404 4.064 0 50 EIAA O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cccc2nc(C(F)F)[nH]c12 935788066 XDKLXHYGSURNBZ-JOCQHMNTSA-N 341.361 4.177 0 50 EIAA O=C(c1cccnc1-c1ccc(F)cc1Cl)N1C[C@@H]2CC[C@H]1C2 1565515266 OJXWECYRPSUITF-YPMHNXCESA-N 330.790 4.166 0 50 EIAA C[C@@H](NC(=O)C1CCN(CC2CC2)CC1)c1cccc2ccccc12 1875261845 XGUGBRQSCYKJGX-MRXNPFEDSA-N 336.479 4.139 0 50 EIAA CC(C)c1ccc(-c2nc(C(=O)N(C)[C@]3(C)CCOC3)cs2)cc1 1875353779 GCRQEKYYMYYFFC-LJQANCHMSA-N 344.480 4.185 0 50 EIAA Brc1ccc(Cc2csc([C@H]3CCCCN3)n2)cc1 2325840470 BILNMFYOJRXEQB-CQSZACIVSA-N 337.286 4.311 0 50 EIAA COC(=O)c1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 362844 YEXHCFKQXHVBBR-HNNXBMFYSA-N 339.435 4.414 0 50 EIAA Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCCCC3)cc12 534316 MDGOXQUIAFCDAN-UHFFFAOYSA-N 339.464 4.412 0 50 EIAA Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccccc1Cl)C2 1068613 KTNAMBGSRYJGQY-LBPRGKRZSA-N 345.826 4.454 0 50 EIAA COc1cccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 1169803 NKZVXIOJBXPEKX-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc2ccccc12 2812248 SPLCEHQRJNEPIC-UHFFFAOYSA-N 346.430 4.478 0 50 EIAA CCc1cccc2c(C(C)=O)cn(CC(=O)Nc3ccc(C)cc3)c12 4759455 NVQBBXCUTZJMIU-UHFFFAOYSA-N 334.419 4.353 0 50 EIAA COc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 6260084 QJZHFPOMZMQGEI-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA Cc1ccc(-n2ncc3c(Nc4cccc(C)c4C)ncnc32)cc1 8582995 YCWDHLXFSWALEO-UHFFFAOYSA-N 329.407 4.484 0 50 EIAA O=C(Nc1ccccc1)c1ccc(-n2nncc2-c2ccccc2)cc1 9764043 IDNQHUZAMBXQFP-UHFFFAOYSA-N 340.386 4.187 0 50 EIAA Cc1cccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)c1 16577448 WSWPULDVOOQCRF-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(F)c(F)cc1Cl 33269886 ULHRXWGPPPWMMT-CQSZACIVSA-N 340.757 4.200 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]32)C1 39944339 NCMZQTLCXHGLOK-JPRZGNOKSA-N 330.468 4.450 0 50 EIAA biogenic COc1ccc(NC(=O)Cc2sc3ccccc3c2OC)cc1 45068880 YBEJCDDWDVVWCP-UHFFFAOYSA-N 327.405 4.100 0 50 EIAA O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H]1c1ccccn1 55518247 GJBPPYDUDKZBGK-SFHVURJKSA-N 349.459 4.111 0 50 EIAA O=C(c1ccc(Cl)s1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72453584 QPXSMGQXFQYBAY-LBPRGKRZSA-N 349.818 4.394 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)c2cnn(C(C)C)c2)CC1 77379383 QNPYWNVQKFHKIO-UHFFFAOYSA-N 343.496 4.169 0 50 EIAA Cc1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)c(C)n1 77486631 VMCXNGWZDDORHV-UHFFFAOYSA-N 347.418 4.158 0 50 EIAA O=C(C[C@@H]1CCc2ccccc21)N(Cc1ccccn1)Cc1ccco1 92080558 UTHBNOYXCYCEBG-SFHVURJKSA-N 346.430 4.324 0 50 EIAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C)s2)C1 95504617 BTRNDQQBLMALNJ-OAHLLOKOSA-N 331.485 4.073 0 50 EIAA CCCC[C@@H]1C=CCN1C(=O)Nc1ccc(-c2nc(CC)no2)cc1 97179448 UTAXNQVDNVEMHA-MRXNPFEDSA-N 340.427 4.262 0 50 EIAA CC(C)c1nc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)no1 133760850 LYVZCEFDZIEUEW-KRWDZBQOSA-N 342.830 4.121 0 50 EIAA CC(C)N1CC[C@@H](Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)C1=O 170650932 JRBOIWIRAPCMQT-NSISKUIASA-N 344.499 4.203 0 50 EIAA CC1(C)C[C@@H](NC(=O)N[C@H](c2ccccc2)c2ccco2)C(C)(C)O1 182249626 WMYAZMGFIKNYLS-IAGOWNOFSA-N 342.439 4.014 0 50 EIAA O=C(c1nccc2ccccc12)N1CC[C@H](c2c(F)cccc2F)C1 186172060 FVGSPCLDRFVFNX-AWEZNQCLSA-N 338.357 4.143 0 50 EIAA CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(C)[C@H](C)c2ccccn2)cc1 253392830 HUXPXURGUJLMAZ-HZPDHXFCSA-N 338.451 4.243 0 50 EIAA O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)nc1 253413470 UVZKVRWSYKNEDF-INIZCTEOSA-N 325.799 4.155 0 50 EIAA CCCN1C(=O)c2ccc(Cl)cc2N[C@]12CCOC1(CCC1)C2 414188035 RAUJCQKYVGPABS-GOSISDBHSA-N 334.847 4.047 0 50 EIAA CC(C)c1cc(CN(C)C(=O)NCc2ccc3c(c2)CCCC3)no1 584884694 ITIKJLJBWFSLQM-UHFFFAOYSA-N 341.455 4.018 0 50 EIAA O=C(c1ccc(-c2cccc(F)c2)cc1)N1Cc2ccccc2[C@@H](O)C1 952983900 XBEFTYWYOKOHJV-NRFANRHFSA-N 347.389 4.182 0 50 EIAA Cc1c(CN(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)oc2ccccc12 1704297090 GXFZWUVENWHUTP-USTZCAOPSA-N 326.484 4.292 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCCC34CC4)[C@H]2C)cc1F 1875298388 ZBMCFEPCZFMVJX-IMJJTQAJSA-N 331.431 4.119 0 50 EIAA Clc1cccc(-c2cc(Sc3ncc4n3CCC4)ncn2)c1 2325824905 UZYKOFIFNHULQU-UHFFFAOYSA-N 328.828 4.091 0 50 EIAA O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 263617 JXJDVNZUISURMT-CAPFRKAQSA-N 342.398 4.096 0 50 EIAA O=C1c2ccccc2C(=O)N2CCCC[C@@H]2CC[C@@H]1c1ccccc1 404530 WNFFKBXVAGJNIV-QZTJIDSGSA-N 333.431 4.442 0 50 EIAA C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 457541 VAHBTIZXWOIGJP-SNVBAGLBSA-N 348.328 4.464 0 50 EIAA Cc1cc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc(C)c1Cl 2951498 ZWLNAWMDKOUQPL-UHFFFAOYSA-N 347.886 4.277 0 50 EIAA COc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 4740792 SJDQDPPMVSPTIZ-UHFFFAOYSA-N 331.415 4.144 0 50 EIAA C[C@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2Cl)C1 13331324 VBWLZRXCDZUBDD-UWVGGRQHSA-N 330.653 4.221 0 50 EIAA COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1 13746728 UEOIKFQRWGKQQG-CQSZACIVSA-N 340.423 4.479 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1OC 15837526 JQPCUEWLFPHJKM-CYBMUJFWSA-N 332.425 4.134 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H]1c1cccc(F)c1 36620959 UTMOUSZFOFIQGA-GOSISDBHSA-N 336.366 4.458 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1OC 36621212 FSYMZYBAELNAKI-MRXNPFEDSA-N 344.386 4.212 0 50 EIAA COc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1 64984977 OMTLPJJZLUAMKB-MRXNPFEDSA-N 329.400 4.176 0 50 EIAA Cc1cc(C)c(C(=O)NCc2cccnc2Oc2ccccc2C)cn1 67673010 ZVOHIWMROBAHCF-UHFFFAOYSA-N 347.418 4.124 0 50 EIAA Fc1cc(Br)c(Br)cc1Br 67796585 LCMIZXKJMCFKET-UHFFFAOYSA-N 332.792 4.113 0 50 EIAA COc1ccc(F)c(F)c1CN(C)Cc1cc(-c2ccccc2)no1 72163466 APZKGYIWHPQDOD-UHFFFAOYSA-N 344.361 4.260 0 50 EIAA Fc1ccc(NCc2noc(-c3cccc(Cl)c3)n2)c(F)c1F 121321462 YVIYEPLBXHXRAM-UHFFFAOYSA-N 339.704 4.419 0 50 EIAA C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc2ncsc2c1 170600804 GHEDZJBZWOYGKQ-SNVBAGLBSA-N 348.374 4.389 0 50 EIAA CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc3sncc3c2)C1 170609541 ZSSCLGOPEOEKRM-JSGCOSHPSA-N 335.498 4.482 0 50 EIAA CCO[C@H]1C[C@@H](Nc2nccc(C(F)(F)F)n2)C12CCCCC2 170639424 JODIFRYUSYKERB-OLZOCXBDSA-N 329.366 4.035 0 50 EIAA COc1ccc(N(C)C(=O)c2cccnc2C(F)(F)F)cc1Cl 188988029 UEDCJDAMQOBNNJ-UHFFFAOYSA-N 344.720 4.039 0 50 EIAA CC[C@@H](C)c1ccc(NC(=O)CN(Cc2ccccn2)C2CC2)cc1 252487805 IBSNWTRVBPIJNQ-MRXNPFEDSA-N 337.467 4.198 0 50 EIAA Fc1cc(F)c2c(c1)OC[C@@H]2Nc1nc(-c2ccccc2)ns1 681237465 CFDNPUDHPFVDME-LBPRGKRZSA-N 331.347 4.029 0 50 EIAA Cc1ccccc1OC[C@@H]1CCCN(c2cnc3ccccc3n2)C1 1506406907 KKYHDIZOJMRHFO-QGZVFWFLSA-N 333.435 4.234 0 50 EIAA COc1cc(C(=O)O)c(Cl)cc1OCc1c(F)cccc1Cl 1857526163 TYAQMGYXIQJGSK-UHFFFAOYSA-N 345.153 4.418 0 50 EIAA CC(C)(C)c1conc1CNCc1cc(F)cc(-c2cccnc2)c1 2325812927 SPLMSCFBTBJQDQ-UHFFFAOYSA-N 339.414 4.463 0 50 EIAA Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 231808 ZIIUUSVHCHPIQD-UHFFFAOYSA-N 343.370 4.431 0 50 EIAA biogenic,in-vitro CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2)c(C)c1 364709 WALHRXIBJWFLGF-UHFFFAOYSA-N 326.440 4.167 0 50 EIAA CCc1c(C)sc(NC(=O)/C=C/c2ccc(Cl)cc2)c1C(N)=O 433662 CNYLBGGVFLLAPE-RMKNXTFCSA-N 348.855 4.023 0 50 EIAA COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C)cc1Cl 1070543 JNCWVERHMMETMH-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA CCOc1cc(C=O)ccc1OCCCOc1ccc(Cl)cc1 2866715 DEGIGKGUXSEPAX-UHFFFAOYSA-N 334.799 4.399 0 50 EIAA CCCCOc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1 3000256 UZSWYDBHQOQHGU-UHFFFAOYSA-N 329.396 4.135 0 50 EIAA CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccs1 4943560 CNNOBDMFDVIFAW-UHFFFAOYSA-N 341.436 4.239 0 50 EIAA C[C@H]1CCC[C@@H](C)N1CCCNC(=O)c1csc2c1CCCCC2 5070463 DRXWSZZXLAXBAT-IYBDPMFKSA-N 348.556 4.400 0 50 EIAA CC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 11617079 FXROTDSWXRSXMK-UHFFFAOYSA-N 342.192 4.160 0 50 EIAA in-vitro Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1 12299828 VSQLXOHWYRWRCV-JOCHJYFZSA-N 342.446 4.347 0 50 EIAA CC(=O)c1cc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)cs1 20166184 BZEWFNNOTXCZNW-IBGZPJMESA-N 342.508 4.047 0 50 EIAA Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(F)c3)sc21 20616046 HDDXMNMBBWZARE-UHFFFAOYSA-N 343.305 4.045 0 50 EIAA Fc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCN(Cc2ccoc2)C1 20919886 ROZVVIDFSRLQBJ-CQSZACIVSA-N 343.377 4.328 0 50 EIAA CCCn1ncc(CN(Cc2ccc(SC)cc2)C2CC2)c1C 55393123 NRFUYVYXPZVRAV-UHFFFAOYSA-N 329.513 4.488 0 50 EIAA Cc1ccccc1-c1nc(Cn2ccnc2-c2ccccn2)c(C)o1 67833661 BZUGQHQBEONWKA-UHFFFAOYSA-N 330.391 4.265 0 50 EIAA Cc1nc(CN2CCCC[C@H]2c2ccc(CN(C)C)cc2)cs1 72146868 RROFHRXDVGMTGJ-IBGZPJMESA-N 329.513 4.240 0 50 EIAA CC(C)CCc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72425665 QIIVGKJIOOJKJI-UHFFFAOYSA-N 343.902 4.388 0 50 EIAA CS(=O)(=O)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1 74937869 VDMBFRIHHRJXOM-UHFFFAOYSA-N 338.428 4.336 0 50 EIAA in-vitro COc1cc(-n2ccnc2-c2cc3ccccc3o2)ccc1NC(C)=O 77424781 VSRSTYGIBAXCCX-UHFFFAOYSA-N 347.374 4.253 0 50 EIAA CCCc1noc([C@H](C)n2ccnc2-c2c(F)cccc2Cl)n1 82134857 LWLYVLCAJGQXGE-JTQLQIEISA-N 334.782 4.287 0 50 EIAA COC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 83187903 FCVUJTKQNKDFQF-UHFFFAOYSA-N 326.783 4.038 0 50 EIAA in-vitro Cc1cccc(NC[C@@H]2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)C2)n1 175252652 YZQISDCRRPFKCR-HOTGVXAUSA-N 342.487 4.171 0 50 EIAA Cc1nc([C@H]2CCCN2C(=O)Cc2ccc(Cl)s2)cs1 193902296 CPRYCOCJMNYLMR-GFCCVEGCSA-N 326.874 4.073 0 50 EIAA Cc1noc2ncnc(N[C@H]3CCCc4cc(OC(F)F)ccc43)c12 195511767 AUZCKPJDQJHYMF-ZDUSSCGKSA-N 346.337 4.017 0 50 EIAA CN1CCC[C@]2(CCCN(Cc3[nH]c4ccccc4c3Cl)C2)C1 215329420 ZRHUYBHJKJAQAK-IBGZPJMESA-N 331.891 4.129 0 50 EIAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1 241965768 UVMHCQUVKKUNIH-KNXALSJPSA-N 334.341 4.081 0 50 EIAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc2[nH]ccc2c1 253410452 NJCTWJBEBOUAMW-LJQANCHMSA-N 329.403 4.457 0 50 EIAA biogenic Cc1ccc2c(NC(=O)N[C@H]3COC4(CCCCC4)C3)cccc2n1 299770163 POZQDAKXKBVVPC-OAHLLOKOSA-N 339.439 4.157 0 50 EIAA COc1ccccc1[C@@H]1CN(Cc2ccco2)Cc2ccccc2O1 299776023 MRRZTQADEHDRTO-NRFANRHFSA-N 335.403 4.424 0 50 EIAA CCCCn1ncc(NC(=O)N[C@H]2CCOC23CCCC3)c1C(C)C 931077059 NELQRKVHZUDYIP-INIZCTEOSA-N 348.491 4.030 0 50 EIAA Fc1cncc(F)c1CSc1nc(C2CC2)n(-c2ccccc2)n1 1458828229 JQFLVMRETUYNOS-UHFFFAOYSA-N 344.390 4.110 0 50 EIAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1cccc2[nH]ccc12 1857679087 FPNGYUONMRKNGD-PMOQBDJRSA-N 346.474 4.126 0 50 EIAA O=C(c1cccnc1-c1cnc2cc(F)ccc2c1)N1C[C@H]2CC[C@@H]1C2 1875248781 OJMYLSKCAOCVRV-SUMWQHHRSA-N 347.393 4.060 0 50 EIAA C[C@H](Oc1ccc(Cl)nc1)c1nc([C@H](C)c2ccccc2)no1 1875316677 ACCLFKYOLUFHSN-NEPJUHHUSA-N 329.787 4.410 0 50 EIAA O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3ncccc3o2)cc1 277271 ZIDDZXOSYBRMFK-MDZDMXLPSA-N 331.331 4.135 0 50 EIAA O=C(NCc1ccc2c(c1)OCO2)c1ccccc1Oc1ccccc1 285354 NGVALFZVOWRDKN-UHFFFAOYSA-N 347.370 4.138 0 50 EIAA COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 452681 GWVGROVLTTVHKF-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA COC(=O)c1ccccc1NC(=O)c1oc2ccc(Cl)cc2c1C 615655 SHWRTOACRSSKQH-UHFFFAOYSA-N 343.766 4.434 0 50 EIAA Cc1nc(N2CCCCC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 12653579 VOOKKNLXLXLNCU-ZGKFYVQTSA-N 347.462 4.234 0 50 EIAA CCCCNC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C 13331625 WINYBBUXKOGDDY-UHFFFAOYSA-N 334.851 4.123 0 50 EIAA C[C@H](c1cccnc1)N(C)C(=O)CCSCc1ccc(F)cc1 55168008 GWXFVTCZELHZNL-CQSZACIVSA-N 332.444 4.064 0 50 EIAA c1ccc(-c2csc(CCn3ccnc3-c3ccncc3)n2)cc1 71405819 UDJHEKQGQGRYEJ-UHFFFAOYSA-N 332.432 4.311 0 50 EIAA CC[C@H](c1ccccn1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72475235 HOQIQFWQMWRXEH-LJQANCHMSA-N 340.467 4.008 0 50 EIAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@](C)(c4ccccc4)C3)[nH]n2)o1 95528492 FNFBLPFDGYLUIB-OAQYLSRUSA-N 349.434 4.172 0 50 EIAA Cc1ccccc1CN[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1 128433494 FKRDKACRRHGBPC-INIZCTEOSA-N 346.356 4.011 0 50 EIAA CC[C@H]1c2ccsc2CCN1C(=O)Nc1c(C)noc1C1CC1 155030316 BICRSRNMUQANME-ZDUSSCGKSA-N 331.441 4.463 0 50 EIAA CCc1nnc(-c2cccc(NC(=O)c3ccc4ncccc4c3)c2)o1 175396217 WHQDASGVZQSDGM-UHFFFAOYSA-N 344.374 4.100 0 50 EIAA CC(C)(OCOCC[Si](C)(C)C)c1ccc(Br)cn1 196008972 QRORWWGRTFDWEG-UHFFFAOYSA-N 346.341 4.408 0 50 EIAA CO[C@@H](C)CCNC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 465840685 JQRIRKRRSBGCMZ-HNNXBMFYSA-N 336.451 4.095 0 50 EIAA CCOC1CC2(CCN(Cc3ccc(Oc4ccccc4)o3)C2)C1 809707813 PEDBKPMMMOICNJ-UHFFFAOYSA-N 327.424 4.463 0 50 EIAA COc1ccc2c(c1)N(C(=O)Nc1c(C)noc1C(C)C)CCCC2 932835139 OQONUSIUPXHORN-UHFFFAOYSA-N 343.427 4.490 0 50 EIAA Cc1cc2cc(C(=O)N3CCOc4ccc(Cl)cc4C3)ccc2o1 1506398332 OZGCHQGDAXZKTK-UHFFFAOYSA-N 341.794 4.429 0 50 EIAA Cc1ccc(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)cn1 1529125572 QOBVURDBGBNCSZ-RBUKOAKNSA-N 338.451 4.018 0 50 EIAA FC(F)C1(c2nc(-c3ccc4nccnc4c3)no2)CCCCC1 1875259479 WOJHYSZKCSUQEP-UHFFFAOYSA-N 330.338 4.147 0 50 EIAA COc1ccccc1CN(C(=O)[C@@H]1c2ccccc2C2CC1C2)C1CC1 1875331770 BZYOUVUSZRAVIG-XWTGJVNOSA-N 347.458 4.477 0 50 EIAA CCNc1nccnc1N1Cc2ccccc2[C@@H](c2ccccc2)C1 1875342066 WAZNFQDFBWASMX-LJQANCHMSA-N 330.435 4.061 0 50 EIAA C[C@@H]1C[C@@H](N=c2nc(C(F)(F)F)c3c([nH]2)CCCC3)CCC1(C)C 1875357506 JUFGSOJIYKHNHL-NEPJUHHUSA-N 341.421 4.423 0 50 EIAA Cc1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)c(Cl)n1 1875365171 FAOJCTKJYYLHNW-UHFFFAOYSA-N 332.806 4.202 0 50 EIAA Cc1nc2cc(NC(=O)C[C@@H]3NCc4ccccc43)ccc2n1C(C)C 2325809276 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4.166 0 50 EIAA O=C(C1=Cc2ccccc2OC=C1)N1CC[C@H](c2ccccc2F)C1 82099802 YYJJMXOXYMHDHI-KRWDZBQOSA-N 335.378 4.131 0 50 EIAA CCN(C(=O)c1[nH]c2ccc(C)cc2c1C)[C@@H]1CCOC(C)(C)C1 91444530 OCLNMHFQRHRUHC-OAHLLOKOSA-N 328.456 4.204 0 50 EIAA Cc1coc(-c2cc(NC(=O)N3CCS[C@@H](C)CC3)ccc2C)n1 192281966 ILLHCTBRIICPSP-AWEZNQCLSA-N 345.468 4.318 0 50 EIAA Fc1cc(CN[C@H]2CCC23CCOCC3)ccc1Oc1cccnc1 368528797 ULTRTXVWFVUPID-IBGZPJMESA-N 342.414 4.062 0 50 EIAA COCc1cc(OCc2nnc(C(C)C)s2)c2cc(F)ccc2n1 419033773 MHLLDGNXCNPMFP-UHFFFAOYSA-N 347.415 4.074 0 50 EIAA COCc1nc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)cs1 446432703 YGXRQMMZMPKVNX-QGZVFWFLSA-N 348.443 4.090 0 50 EIAA CC(C)n1ncc2c1C[C@H](N[C@H](C)c1cc3ccncc3s1)CC2 657990690 VRIYUYAGCWLRRT-CZUORRHYSA-N 340.496 4.282 0 50 EIAA O=c1nc(-c2ccc[nH]2)[nH]c2ccc(Oc3ccc(Cl)cc3)cc12 762443997 VUZNMLUIKBJZLF-UHFFFAOYSA-N 337.766 4.364 0 50 EIAA CCN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)Sc1ccc(C)cc1 823038921 ZCZGPSRKRCCQJY-MRXNPFEDSA-N 345.512 4.302 0 50 EIAA C[C@@H](c1ccncc1)N(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 952965896 SDYMDUNUBQFRJM-ZDUSSCGKSA-N 326.831 4.318 0 50 EIAA Cn1cc(NC(=O)c2ccc(Cl)c(O)c2)c(C2CCCCC2)n1 1298637876 YVDANOFHGCNKKJ-UHFFFAOYSA-N 333.819 4.079 0 50 EIAA CCOc1ccc([C@H](C)NC2CCN(Cc3ccco3)CC2)cc1F 1506398162 HSYSOKXECXBBJD-HNNXBMFYSA-N 346.446 4.133 0 50 EIAA COc1cccc2c(N3CCC[C@@H]4[C@@H]3[C@@H]4C(F)(F)F)cc(C)nc12 1875328319 LDTLLRIEMTWJHT-XGWLTEMNSA-N 336.357 4.329 0 50 EIAA O=C(N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2)C1(c2ccc(F)cn2)CC1 2325798071 LMBSXIPHOZYEGK-RTBURBONSA-N 348.421 4.099 0 50 EIAA Cc1cc(C)cc(NC(=S)N[C@H](C)[C@@H](O)c2ccc(F)c(C)c2)c1 2325823790 FCPGCFBXMWUPEE-RDTXWAMCSA-N 346.471 4.159 0 50 EIAA O=C(Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccco1 37073 LKPVNWGKMFKOPH-UHFFFAOYSA-N 349.321 4.388 0 50 EIAA O=C(OCc1ccccc1)c1ccc(C(=O)OCc2ccccc2)cc1 58241 IWGFEQWCMAADJZ-UHFFFAOYSA-N 346.382 4.401 0 50 EIAA in-vitro COc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 58710 SLOCRJACJILUPP-UHFFFAOYSA-N 331.371 4.179 0 50 EIAA 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338.860 4.255 0 50 EIAA Cc1cc(S(=O)(=O)Nc2cc(-c3ncco3)ccc2C)c(C)s1 134678230 LHDGHTPCEUXUMG-UHFFFAOYSA-N 348.449 4.129 0 50 EIAA C[C@H](OCc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C 170604751 PCHMLULVPWRESZ-KGLIPLIRSA-N 329.827 4.223 0 50 EIAA CCOc1cc(C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 216835889 SGUIYQRYRLZSHW-UHFFFAOYSA-N 340.206 4.070 0 50 EIAA O=C(OCc1ccc(Cl)nc1Cl)c1ccc2ncccc2c1 225691363 PFBLUOBNEBBHLM-UHFFFAOYSA-N 333.174 4.294 0 50 EIAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)c1ccccn1 253419671 FNJUOFFCDLZMOB-ZWKOTPCHSA-N 348.402 4.020 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Cl)sc1Cl 263095236 IHRWTIOLORVNBX-MIMYLULJSA-N 334.268 4.273 0 50 EIAA Cc1cccnc1CCNC(=O)N1CCCC[C@@H]1c1cccc(F)c1 426399249 PGGRKHJDKPZHFF-LJQANCHMSA-N 341.430 4.008 0 50 EIAA O=C(NC1CCCCCCC1)c1cccc(-c2cnn3cccnc23)c1 426621722 MMZMHDPCGCXBOU-UHFFFAOYSA-N 348.450 4.239 0 50 EIAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccccc1C(C)(F)F 455786970 JYUUUSTXVXWSEH-BDJLRTHQSA-N 332.350 4.442 0 50 EIAA CC1(C)CN(C(=O)COc2ccc(Cl)cc2Cl)[C@@H]1C1CC1 460970490 VPDGBLVQZLHGOA-OAHLLOKOSA-N 328.239 4.019 0 50 EIAA CCCc1nc(C)c(CNC(=O)C2=Cc3ccccc3OC=C2)s1 534658834 CDFGUKOBMJIGPM-UHFFFAOYSA-N 340.448 4.010 0 50 EIAA Cc1nc2cc(CNCc3ccc([C@H]4CCCCO4)o3)ccc2n1C 952968514 CIHKZNLPLMVAQY-LJQANCHMSA-N 339.439 4.006 0 50 EIAA COc1ccc(C[C@H](C)CN2C[C@H](C)C[C@@H]2c2cccnc2)cc1F 1308670358 PVWJYWSPOLRRAW-RZQQEMMASA-N 342.458 4.491 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)c1ccc(OC(C)C)cc1 2325842314 UOODNOGJTWGGGI-RBUKOAKNSA-N 341.495 4.284 0 50 EIAA Cn1c(S)nnc1COc1ccc(C(C)(C)c2ccccc2)cc1 36233 XEIGFIMQPPZVPE-UHFFFAOYSA-N 339.464 4.009 0 50 EIAA COC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCC2 134221 NMCXMDYRAGZKQQ-UHFFFAOYSA-N 330.409 4.058 0 50 EIAA O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC2 191580 WIXCWMHTGHEUHV-UHFFFAOYSA-N 335.325 4.212 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(C=O)cc1 257007 XDUMKAVWFFPBRN-UHFFFAOYSA-N 341.750 4.335 0 50 EIAA O=C(COc1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 452701 ZJAYTKWYIHDGIH-UHFFFAOYSA-N 344.842 4.348 0 50 EIAA Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N2CCOCC2)n1 509870 UOVRXRKDTWDYDK-UHFFFAOYSA-N 347.418 4.081 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)c1ccccn1 617533 LBEAVPKMIUYSRK-FQEVSTJZSA-N 346.430 4.472 0 50 EIAA COc1cc(NC(=O)C[C@H](C)c2ccccc2)c(OC)cc1Cl 2988497 GDOHOVUXLNYBRW-LBPRGKRZSA-N 333.815 4.490 0 50 EIAA O=C(C[C@@H](C(=O)O)c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2 4488158 BDBNNQMGNNSGQB-GOSISDBHSA-N 347.414 4.488 0 50 EIAA O=C(c1cccnc1-c1nc2ccccc2s1)N1CCCCCC1 5427313 RJJJJCHGXVSUOW-UHFFFAOYSA-N 337.448 4.375 0 50 EIAA O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1 5848817 DEWHSBUUMWHCGU-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA O=C(Nc1ccccc1F)C1CCN(Cc2ccccc2Cl)CC1 9063206 JUDMXEMCZSTWSX-UHFFFAOYSA-N 346.833 4.330 0 50 EIAA CC(=O)Nc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 12379748 YVFPSVNPRRGNSB-UHFFFAOYSA-N 326.440 4.190 0 50 EIAA Cc1c(CC(=O)N(C)C)c2c(n1C1CCCCC1)CC(C)(C)CC2=O 12385334 CDMRVTVTBFZWDN-UHFFFAOYSA-N 344.499 4.088 0 50 EIAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2cccs2)c1C 12714324 QNFIRLDJVUZTML-ZDUSSCGKSA-N 325.437 4.042 0 50 EIAA O=C(Nc1ccc(Br)cn1)c1cccc(C(F)(F)F)c1 16604419 WNZZHPPGNZQUAX-UHFFFAOYSA-N 345.118 4.115 0 50 EIAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)Cc1c[nH]c2ccccc12 55270084 PKGNUNDZIVETNS-UHFFFAOYSA-N 346.386 4.072 0 50 EIAA CC(=O)Nc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 65410300 LMRFCCRAPREINB-QGZVFWFLSA-N 349.434 4.166 0 50 EIAA OCCCn1cnc(-c2ccccc2)c1-c1cc(F)c(F)cc1F 65531837 XXGIJOBDVYJUPP-UHFFFAOYSA-N 332.325 4.017 0 50 EIAA O=C(c1ccccc1-n1cccn1)N1CCCC[C@@H]1c1ccc(F)cc1 77516892 DWVWWERJKOWCSI-LJQANCHMSA-N 349.409 4.379 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)NCCc1c(F)cccc1Cl 91390994 MDLYXAKHBPWGFB-UHFFFAOYSA-N 340.851 4.340 0 50 EIAA Cc1ccc(N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)nn1 91943852 URONLIRQSXQRIJ-SFHVURJKSA-N 333.439 4.077 0 50 EIAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 100580390 KBSWKXKTLUQVDA-NIKGAXFTSA-N 335.403 4.405 0 50 EIAA COc1ccccc1-c1nnc(CNc2cccc(Cl)c2F)o1 132936008 YAYWJERLKHDFEQ-UHFFFAOYSA-N 333.750 4.150 0 50 EIAA O=C(C[C@H]1OCCc2ccsc21)OCCCCOc1ccccc1 170621934 LKBFYPNECRGHLS-QGZVFWFLSA-N 346.448 4.154 0 50 EIAA OC[C@@H]1CCCC[C@H]1Nc1ncnc2sc(-c3ccccc3)cc12 170636475 NLCLRTRBEQXZQN-GOEBONIOSA-N 339.464 4.321 0 50 EIAA C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Cl)nc1Cl 175747609 IQKSHKWGYXBCBL-AAEUAGOBSA-N 335.234 4.407 0 50 EIAA Cc1ncc(CN(C)C(=O)NC2CCC(c3ccccc3)CC2)s1 194437291 IAKJDXDVVPIZMS-UHFFFAOYSA-N 343.496 4.319 0 50 EIAA CCN(Cc1ccncc1)Cc1cc(CN2CCCCC2)cs1 216236219 CSJKBMLQNGEGEO-UHFFFAOYSA-N 329.513 4.151 0 50 EIAA C[C@@H](N[C@H](C)c1nnc(-c2cccc(F)c2)s1)c1cccc(O)c1 241371279 MMBXREIUGNSRPO-VXGBXAGGSA-N 343.427 4.462 0 50 EIAA c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](N[C@H]2CCOc4ccccc42)C3)cc1 248408657 CGJFPXBAYQZJKY-KEZQHZCBSA-N 348.490 4.295 0 50 EIAA CCN(C(=O)CCc1c(C)noc1C)c1ccc(C(F)(F)F)cc1 253392125 UKPMOAWJFGCULD-UHFFFAOYSA-N 340.345 4.296 0 50 EIAA CCN(C(=O)CCCCC(=O)O)[C@@H](C)c1cccc(C(F)(F)F)c1 263259281 GDDKNJUDVRANBU-LBPRGKRZSA-N 345.361 4.260 0 50 EIAA Cc1cc2cc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)oc2cc1C 263464573 CKIPSYKSFMODJM-OLMNPRSZSA-N 327.424 4.267 0 50 EIAA CO[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 448656438 OHSJZSXGNRCVRM-KBXCAEBGSA-N 331.843 4.117 0 50 EIAA Cc1ccc2snc(C(=O)N[C@@H](C)CCc3ccc(O)cc3)c2c1 480541628 PMRYOYFUXPYKET-ZDUSSCGKSA-N 340.448 4.061 0 50 EIAA COc1ccccc1-c1ccnc(NC(=O)[C@H]2CCC=CCCC2)n1 906110387 XBVPHLTUHXCKTC-HNNXBMFYSA-N 337.423 4.227 0 50 EIAA CC[C@@H](C)n1nc(C)cc1NC(=O)Cc1ccccc1C(F)(F)F 1529107393 ZVKNESOFMPUWNW-GFCCVEGCSA-N 339.361 4.363 0 50 EIAA C[C@H]1CN(C(=O)Nc2cncc3ccccc23)Cc2ccccc2O1 1875346973 GDUZGWMNCDBRFJ-AWEZNQCLSA-N 333.391 4.050 0 50 EIAA Oc1cc(F)cc([C@@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3)C2)c1 1875348752 BIYKHFKHPODUMG-AUUYWEPGSA-N 349.833 4.098 0 50 EIAA C[C@@H](NCc1ccc2c(c1)CCOC2)c1ccc(-c2cncnc2)cc1 2325765068 UNDPIAVIJRVJAZ-MRXNPFEDSA-N 345.446 4.067 0 50 EIAA O=C(NCc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCc2ccoc21 2325826061 NKDHASVWDYKSPB-CQSZACIVSA-N 338.329 4.175 0 50 EIAA O=C(N[C@H](C(=O)O)c1ccc(Cl)cc1)c1cccc2ccsc12 2325876175 MCDAFMLCDHYGDS-AWEZNQCLSA-N 345.807 4.110 0 50 EIAA COc1ccc(NC(=O)C[C@H]2c3ccccc3CC(C)(C)N2C)cc1 343587 OTNUDQOBBSOGEU-IBGZPJMESA-N 338.451 4.032 0 50 EIAA biogenic O=Cc1cn(CCOc2ccc(Br)cc2)c2ccccc12 453462 JRXVXTQKFHSPRO-UHFFFAOYSA-N 344.208 4.295 0 50 EIAA COc1cc(C=O)ccc1OCCCCOc1ccccc1Cl 2985441 ZCQHOKYPMQLMQW-UHFFFAOYSA-N 334.799 4.399 0 50 EIAA CSc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 4700587 GJUGLTDZBSAPAE-UHFFFAOYSA-N 330.434 4.281 0 50 EIAA CCOC(=O)c1oc2ccc(Cl)cc2c1CNc1ccncc1 15017730 DZLNLORAKHXHMG-UHFFFAOYSA-N 330.771 4.270 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c(OC)c1 36620816 ATXBRXMFFBGCBD-KRWDZBQOSA-N 344.386 4.212 0 50 EIAA Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2ccco2)n1 65463398 GPPKRFYCLVNMEN-UHFFFAOYSA-N 332.407 4.405 0 50 EIAA COc1ccccc1OC1CCN(Cc2ccc(O)c(Cl)c2)CC1 72126584 HVANPPUCNNNXAO-UHFFFAOYSA-N 347.842 4.098 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)c(C)o1 72440307 IVDTULPRUKYIJZ-KRWDZBQOSA-N 341.386 4.279 0 50 EIAA Cc1cc(C)cc(-c2ccc(CN(C)[C@H](C)C[S@](C)=O)cc2)c1 170595421 LAHHCWBAVPALSR-HXOBKFHXSA-N 329.509 4.169 0 50 EIAA Cc1oc(-c2ccccc2)c(C(=O)NCCN2CCCC[C@H]2C)c1C 170602147 OCFOSVBEFKRBSR-OAHLLOKOSA-N 340.467 4.168 0 50 EIAA Cn1c([C@H](NC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc21 170623215 OZJNEMVQBXNKFY-QGZVFWFLSA-N 337.423 4.187 0 50 EIAA Cc1cccnc1[C@@H](NC(=O)N[C@H]1CCc2cc(F)ccc21)C(C)C 172067283 XOYMHSKGLCGDHJ-ROUUACIJSA-N 341.430 4.213 0 50 EIAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(O)cc1F 181272926 VYDKPYPHZJGECU-NSHDSACASA-N 336.432 4.253 0 50 EIAA O=C(Nc1nnc(-c2ccsc2)s1)c1cccn1C1CCCC1 181422263 JNEGUVNMMOWKRW-UHFFFAOYSA-N 344.465 4.436 0 50 EIAA CCC(=O)[C@H]1CCCCN1C(=O)c1cncc(-c2cccc(C)c2)c1 185814667 ICAIHVVSBAIKSY-LJQANCHMSA-N 336.435 4.031 0 50 EIAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccn2)o1 239305893 GECVBFAJZDIADU-PXNSSMCTSA-N 331.375 4.225 0 50 EIAA Cc1ccc(CC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 273296781 MHSJTXIFHOWXRD-SJLPKXTDSA-N 347.455 4.117 0 50 EIAA Cc1nnc([C@H](C)N(C)CCCc2cc(-c3ccccc3)no2)s1 328586369 CKNAWWQYAIPUIO-ZDUSSCGKSA-N 342.468 4.127 0 50 EIAA CC(C)CN(C(=O)c1ncoc1C1CC1)[C@@H]1CCCc2cccnc21 329084630 TWHHDVYTISMCNQ-MRXNPFEDSA-N 339.439 4.123 0 50 EIAA CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC(C)(C)c1ccc(C)nc1 330841623 ZXTNOQVMUXOUNE-JLSDUUJJSA-N 332.488 4.115 0 50 EIAA Cc1ncc(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)c(C2CC2)n1 333053390 HHQFZKNEUJJUSL-MRXNPFEDSA-N 336.439 4.207 0 50 EIAA Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@@H]2CC2(C)C)s1 534582796 MXLSAMQYWIMLHR-INIZCTEOSA-N 343.496 4.209 0 50 EIAA C[C@@H](NC(=O)Nc1cnn(C(F)F)c1)[C@H](C)c1ccccc1Cl 1857530469 JJWZJSQTNQLYQC-VHSXEESVSA-N 342.777 4.245 0 50 EIAA C[C@@]1(CSc2ncc3c(n2)CCCC3=O)CCCCC1(F)F 2325823417 ROEKZCQJVJDHMW-HNNXBMFYSA-N 326.412 4.303 0 50 EIAA COc1ccc(-c2cc(C(=O)OCCc3cccnc3)c(C)o2)cc1 2325855519 DQDRIQSLIBWJHW-UHFFFAOYSA-N 337.375 4.058 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1cccc(Br)c1 276298 DLPRNEHMQYPDFR-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA Cc1cccc(OCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 312677 JLZBOCIMTSZANA-UHFFFAOYSA-N 326.179 4.025 0 50 EIAA Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(N)=O)cc3)sc2c1 368830 ROHXMGOAOAMZBK-UHFFFAOYSA-N 344.823 4.214 0 50 EIAA Cc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c2ccccc2n1 453338 BXHMHPFARNGROO-UHFFFAOYSA-N 339.778 4.236 0 50 EIAA O=C(CSc1ccc(F)cc1)Nc1ccc(Br)cc1 470187 FVYIJOAOQUTQNI-UHFFFAOYSA-N 340.217 4.319 0 50 EIAA O=C(COc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 1064018 XMWLNQZURTWWAO-UHFFFAOYSA-N 336.775 4.106 0 50 EIAA Cc1ccc(S(=O)(=O)CCC(=O)c2ccc3ccccc3c2)cc1 2522075 WPKIFHMDEUKEEP-UHFFFAOYSA-N 338.428 4.195 0 50 EIAA COc1cc(CNCc2ccccn2)ccc1OCc1ccccc1C 4413638 DXEWNZDJRHXRRK-UHFFFAOYSA-N 348.446 4.267 0 50 EIAA COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)ccc1O 5102066 OKVPJSLONXMQJA-RMKNXTFCSA-N 335.359 4.045 0 50 EIAA O=C(Nc1cnn(Cc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 6240458 BWRHXTQTOCUWCX-UHFFFAOYSA-N 335.451 4.086 0 50 EIAA Cc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1C 6253092 XHYKEHBAAJUFLD-UHFFFAOYSA-N 344.458 4.419 0 50 EIAA Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c2c1 6506593 MOSQQUOPYAXKQP-UHFFFAOYSA-N 331.828 4.256 0 50 EIAA COCc1nn2c(N)c(-c3ccc(C)cc3)cnc2c1-c1ccccc1 9261024 FKYHULQTZPSYIE-UHFFFAOYSA-N 344.418 4.100 0 50 EIAA C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2 10941143 LIMPCWVDVQZJIH-JTQLQIEISA-N 334.828 4.116 0 50 EIAA CCc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)o1 12836569 BUVDNAZOIFECRT-CYBMUJFWSA-N 327.403 4.326 0 50 EIAA CCc1cc([C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)on1 15866688 BFVQBBHIANXHQA-SJFHUFEGSA-N 328.456 4.117 0 50 EIAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 15941445 KCAUUTZPMXWYSI-UHFFFAOYSA-N 342.420 4.068 0 50 EIAA COc1cccc(CNCCc2ccc(Cl)cc2Cl)c1OC 19721121 QHGZFSFDOAFNJB-UHFFFAOYSA-N 340.250 4.343 0 50 EIAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NCc2ccoc2)C1 20540122 OPNLVWSRSUFIQG-GOSISDBHSA-N 339.414 4.408 0 50 EIAA CCOC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67674945 ACPCRYWQTRWBRH-UHFFFAOYSA-N 347.798 4.064 0 50 EIAA CCOC(=O)c1ccc(Oc2ccc(C=O)c(Br)c2)cc1 72191271 ZETWHASWJSGZSB-UHFFFAOYSA-N 349.180 4.231 0 50 EIAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1cc2ccccc2s1 82156452 ZMUKZVXRNXPROI-UHFFFAOYSA-N 349.415 4.224 0 50 EIAA CC(=O)Nc1cccc([C@@H](C)NCc2cc(-c3ccccc3)on2)c1 154739046 IIYUBALHEQRVMV-CQSZACIVSA-N 335.407 4.151 0 50 EIAA Cn1c(S[C@H]2CCCCc3ccccc32)nnc1-c1cccnc1 177185116 JTTYOYSQAUOWRG-KRWDZBQOSA-N 336.464 4.437 0 50 EIAA Cc1cc(-c2ncccc2NC(=O)c2ncc(F)cc2F)cs1 190789980 SSSACKWBCSOSGN-UHFFFAOYSA-N 331.347 4.044 0 50 EIAA CCCn1c(C)cc(-c2csc(NC(=O)[C@@H](CC)OC)n2)c1C 344176308 NBJBBVUAJMEWRW-OAHLLOKOSA-N 335.473 4.002 0 50 EIAA Cc1ccccc1[C@H](C)CC(=O)N1CC[C@@H](C(=O)O)c2ccccc21 669434898 MRALLWAECHCWGX-CRAIPNDOSA-N 337.419 4.094 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccc(C(C)(C)C)cc1)C2 1704300896 AYKGBWRSMCLQGC-NQIIRXRSSA-N 329.484 4.405 0 50 EIAA C[C@@H](NC(=O)c1ccc(-c2ccncc2)nc1)c1ccc(Cl)cc1 1875339021 TVEVRZRWHOMTQE-CYBMUJFWSA-N 337.810 4.288 0 50 EIAA CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc(C)c1C 146603 NFKRPPMZGKJYIO-ZHACJKMWSA-N 329.421 4.194 0 50 EIAA CCSc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 175122 YJIZLVUMKUMFPZ-UHFFFAOYSA-N 334.253 4.209 0 50 EIAA CCOc1cc(S(=O)(=O)Nc2ccccc2CC)ccc1Cl 529099 QBQLXOZNXASOJI-UHFFFAOYSA-N 339.844 4.102 0 50 EIAA CC(C)(C)SCCNC(=O)CSCc1ccc(Cl)cc1 2990037 WTBDHFQIHZWVPU-UHFFFAOYSA-N 331.934 4.221 0 50 EIAA Cc1cccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)c1 4512604 ZPTHYVUKQXLWGH-UHFFFAOYSA-N 341.436 4.157 0 50 EIAA N=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)S1 5027410 WKULCKDMKLBTSH-OQLLNIDSSA-N 344.823 4.058 0 50 EIAA Cc1ccc(CNS(=O)(=O)/C=C/c2ccc(C(C)C)cc2)cc1 5745719 YYZCWFORUDAGRE-OUKQBFOZSA-N 329.465 4.209 0 50 EIAA CCc1cccc(C)c1NC(=O)c1nnn(-c2cc(C)cc(C)c2)c1C 11690189 DKTMZBJCMAYOMD-UHFFFAOYSA-N 348.450 4.316 0 50 EIAA CSCCCN1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 12195749 JGZYMZHGBBTVRP-AWEZNQCLSA-N 345.430 4.353 0 50 EIAA c1ccc(CCN2CCC[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 12471425 KSTJRJDSRFNGQR-OAQYLSRUSA-N 340.536 4.279 0 50 EIAA COc1ccc2c(c1)C=C(CNc1ccc(-n3ccnc3C)cc1)CO2 32573399 RVDKIXXBNWBSAO-UHFFFAOYSA-N 347.418 4.077 0 50 EIAA Cc1nc(C(C)C)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 71762773 PUNQZVWYRDDFDR-QGZVFWFLSA-N 331.847 4.140 0 50 EIAA Cc1c(C(=O)N(C)Cc2cccc3cnccc23)[nH]c2c(F)cccc12 77287004 UNFVJKDIRXMQAR-UHFFFAOYSA-N 347.393 4.436 0 50 EIAA CC(C)c1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)on1 77486204 AHMPXEIEKHBHIU-UHFFFAOYSA-N 348.830 4.135 0 50 EIAA CCCc1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)no1 82096731 UVMJENKCPQXRTL-QGZVFWFLSA-N 338.407 4.172 0 50 EIAA O=C(NCCc1cscn1)c1ccc(-c2ccccc2Cl)o1 91691547 PAXZYRYTDDXXCJ-UHFFFAOYSA-N 332.812 4.029 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CCCOc2c(F)cccc21 130180196 QNRRTMRPYYCRMP-CQSZACIVSA-N 345.374 4.035 0 50 EIAA COc1ccc([C@@H]2OC[C@@]3(COC(C)=O)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 139031865 WSCCZHJZVDZUSC-FTWGMDGFSA-N 344.451 4.164 0 50 EIAA CCOc1ccc(OCC)c(NC(=O)c2sccc2Cl)c1 252491945 MABYKCBWOATEMR-UHFFFAOYSA-N 325.817 4.451 0 50 EIAA O=C(NCc1cc(C(F)(F)F)ccn1)c1c(Cl)cccc1Cl 261495038 VEQRKFPNIAWQFX-UHFFFAOYSA-N 349.139 4.337 0 50 EIAA C[C@H](NCc1coc2ccccc12)c1cccc(N2CCOCC2)c1 271450458 ICUTVEOFLUVMBG-INIZCTEOSA-N 336.435 4.120 0 50 EIAA CC1(C)C[C@H](C(=O)NCc2ccc(-c3cccc(Cl)c3)o2)CCO1 299766911 COHTVNGGCWIXDA-CQSZACIVSA-N 347.842 4.421 0 50 EIAA CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(C)=O)o2)o1 331652909 RCODZFLEFPDTRJ-SWLSCSKDSA-N 329.396 4.251 0 50 EIAA CC(C)(C)NC(=O)c1nc(-n2cccc2)sc1-c1ccc(F)cc1 952963830 KLSBTZNRMJYPBO-UHFFFAOYSA-N 343.427 4.268 0 50 EIAA COCC1(NC(=O)c2ccc(-c3ccccc3Cl)o2)CCCC1 952986875 GMMXTRHHESOIRC-UHFFFAOYSA-N 333.815 4.289 0 50 EIAA Fc1cccc(F)c1CCn1cc(-c2cccc3cnccc23)nn1 2325855851 RIOOTCKPAXWVDN-UHFFFAOYSA-N 336.345 4.014 0 50 EIAA O=C(O[C@H]1CC[C@H]1c1ccc(Cl)cc1)c1n[nH]c2c1CCCC2 2325872000 DEXBUJQDCRWISN-BBRMVZONSA-N 330.815 4.045 0 50 EIAA COC(=O)[C@H]1CC12CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 2356168479 FXAOCTNISLIHHS-OAQYLSRUSA-N 347.458 4.033 0 50 EIAA O=C(Nc1cccc(F)c1)c1cccnc1Nc1ccc(F)cc1 106506 FTZUZYGLURKKPT-UHFFFAOYSA-N 325.318 4.356 0 50 EIAA CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2C)cc1 314225 PUCXKHFSJIAFLI-UHFFFAOYSA-N 328.437 4.289 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 433568 CVALZSRXVOPORY-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA CC(C)(C)C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 450332 ULPVPZRYNGWDIQ-UHFFFAOYSA-N 348.826 4.319 0 50 EIAA O=S(=O)(NCc1ccco1)c1ccc(-c2ccc(Cl)cc2)cc1 465745 PPJZLXWHSQJXDL-UHFFFAOYSA-N 347.823 4.079 0 50 EIAA CCCCC/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\CCCC(=O)O 4655417 DCJBINATHQHPKO-CALMLMJYSA-N 338.488 4.382 0 50 EIAA endogenous,in-man O=C(Nc1cccc2ccccc12)c1ccc(-n2cnnc2)cc1Cl 6701940 HMUMLNXBFWKWSR-UHFFFAOYSA-N 348.793 4.326 0 50 EIAA COCCCn1c(S)nnc1[C@@H](C)Oc1ccc(C(C)(C)C)cc1 6853057 WSZNHZDYBHXCHH-CYBMUJFWSA-N 349.500 4.041 0 50 EIAA CC[C@@H](C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1)c1ccccc1 7759532 NJSPVSLYJJJCJD-GOSISDBHSA-N 349.434 4.197 0 50 EIAA CCOc1cccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c1 14953482 LKKNAWQEOZMPDB-INIZCTEOSA-N 335.451 4.430 0 50 EIAA COc1ccc(OC)c2c1[C@H](c1cccc(N)c1)O[C@@H]1CCCC[C@H]21 16652238 BVMLGIDRODFNIZ-MRUHUIDDSA-N 339.435 4.432 0 50 EIAA CCc1nccn1Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C 67605827 GVLGXDOZPQXUKS-UHFFFAOYSA-N 335.329 4.476 0 50 EIAA Cc1ccsc1CCn1ccnc1-c1cnc(-c2ccccn2)nc1 72156712 VSCWHCVCUVSIRJ-UHFFFAOYSA-N 347.447 4.015 0 50 EIAA O=C(c1ccc(Cl)s1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72453585 QPXSMGQXFQYBAY-GFCCVEGCSA-N 349.818 4.394 0 50 EIAA COc1cc(F)c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(F)c1 77423342 PAKMLEDIHVYZHB-KRWDZBQOSA-N 349.352 4.480 0 50 EIAA CO[C@H](C)c1nc(COc2ccc(C(C)=O)cc2Cl)cs1 119555955 MVGYZTFCMIUUNQ-SNVBAGLBSA-N 325.817 4.286 0 50 EIAA N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 178809901 HFTYITPKSVIFLJ-QZTJIDSGSA-N 328.843 4.094 0 50 EIAA CC(C)c1ncc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)s1 179861807 RVXIIBXVSMTXEX-UHFFFAOYSA-N 336.367 4.333 0 50 EIAA Cc1cc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)s1 182341529 VAZMTLURJLEGMO-MLGOLLRUSA-N 332.473 4.086 0 50 EIAA O=C(Nc1ccccc1CC(F)(F)F)NC1Cc2ccccc2C1 184215970 BKUWLELIACSRGI-UHFFFAOYSA-N 334.341 4.080 0 50 EIAA Cc1ccc(C[C@@H](Nc2ncnc3onc(C)c23)c2ccccn2)cc1 192456577 RFPYKBIKJZAHPP-QGZVFWFLSA-N 345.406 4.026 0 50 EIAA O=C(Cc1ccc(Cl)s1)NC[C@@H]1CCCO[C@H]1c1ccccc1 193499284 QFFQWRMLZQDMNT-KSSFIOAISA-N 349.883 4.228 0 50 EIAA COc1cccc(-c2ccc(C(=O)N(C)Cc3ncccc3C)cc2)c1 219031160 XKZFMDKEPOKZIL-UHFFFAOYSA-N 346.430 4.338 0 50 EIAA CCN1CC[C@@H](NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 221896980 JKNMKSPSELCWLY-QFBILLFUSA-N 348.494 4.050 0 50 EIAA CC(C)Sc1ccc(Cl)cc1NC(=O)N1CC[C@@H](O)[C@H](C)C1 225611142 OPNICSCHHDIKLB-BXUZGUMPSA-N 342.892 4.075 0 50 EIAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(OC)c(F)c1 241644552 PRRZAMSHNZBUAY-UHFFFAOYSA-N 341.386 4.370 0 50 EIAA Oc1nc(CN2CC[C@@H]3CCCC[C@H]3C2)nc2cc(Cl)ccc12 242302062 YPFWVAOXGRJEHB-STQMWFEESA-N 331.847 4.001 0 50 EIAA Cc1c(NC(=O)N(C)CCC[C@@H]2CCCO2)cccc1N1CCCC1 299771729 XCPMXAVJRQCHCX-QGZVFWFLSA-N 345.487 4.018 0 50 EIAA CCOc1ccc([C@H]2CCCN2C(=O)Nc2c(C)noc2C)cc1 331609316 WKMNJZIJWCMKNM-MRXNPFEDSA-N 329.400 4.059 0 50 EIAA CCN(C)C[C@H](C)CNC(=O)c1ccc(-c2cc(F)ccc2C)cc1 426394770 YIWNHFAFBPVKQP-OAHLLOKOSA-N 342.458 4.119 0 50 EIAA Cc1ccc(C(=O)N(C)C2CCCC2)cc1C(=O)N(C)C1CCCC1 448636478 AQJXHMJMIZVUEJ-UHFFFAOYSA-N 342.483 4.024 0 50 EIAA Cc1ncsc1CN(C)[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 652409422 ZJELHCBHTVGUNJ-ZDUSSCGKSA-N 345.251 4.016 0 50 EIAA O[C@@H](CNc1nccc(Oc2ccccc2)n1)c1cccc(Cl)c1 788535178 CQULWFSLTOYRDF-INIZCTEOSA-N 341.798 4.068 0 50 EIAA Cc1cc(C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)cc(C)n1 1262734125 MPUUJXDYCAVQSD-UHFFFAOYSA-N 332.407 4.149 0 50 EIAA c1cncc(-c2ccc3c(c2)CC[C@@H]3NCc2cn3c(n2)CCCC3)c1 2325807187 GWMPIZXIXJHLPF-NRFANRHFSA-N 344.462 4.059 0 50 EIAA CSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1 97805 SQPDSOQYMBZBFN-UHFFFAOYSA-N 330.434 4.281 0 50 EIAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Br)cc1 364646 RAQYZKCOVIVIAL-LBPRGKRZSA-N 334.213 4.164 0 50 EIAA COc1cccc(OCCn2cc(C(=O)C3CC3)c3ccccc32)c1 614799 GGPKBTRXJREPJQ-UHFFFAOYSA-N 335.403 4.322 0 50 EIAA NC(=O)c1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl 1002518 WIDZWRQHIAXPML-UHFFFAOYSA-N 348.786 4.045 0 50 EIAA CCCNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 2447448 UHWJDIKTNQSBBS-UHFFFAOYSA-N 331.803 4.124 0 50 EIAA Cc1cc(OC(=O)c2cccs2)c2c3c(c(=O)oc2c1)CCCC3 2953769 OGEDGQLVMMUECC-UHFFFAOYSA-N 340.400 4.261 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)c1 3005117 BXJHVPSBFHLQBP-KRWDZBQOSA-N 348.229 4.343 0 50 EIAA Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1C 6741985 XAPGSKXBAJGOMJ-UHFFFAOYSA-N 337.467 4.090 0 50 EIAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C[C@H]1CC=CCC1 12301617 MHQJBGLWYMNCRC-FQEVSTJZSA-N 344.518 4.368 0 50 EIAA CCc1cn[nH]c1[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 20598330 LCBKOXJOBJWZMT-OAHLLOKOSA-N 337.389 4.371 0 50 EIAA Fc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 55543248 ODDMKUFELBGGJK-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(Cl)cc2)C1 56344213 PERVUHHJWHZHOX-INIZCTEOSA-N 334.778 4.085 0 50 EIAA OCCCCN1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 72144076 HCEQBEBRLLOVDD-INIZCTEOSA-N 329.406 4.123 0 50 EIAA CN(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 72144926 BQJAJUJUZFIODW-OAHLLOKOSA-N 343.393 4.044 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@@H]1C[C@H]1c1ccccc1 72429642 NKEQDIZXUTZRDZ-RBUKOAKNSA-N 332.403 4.104 0 50 EIAA O=C(Nc1ccccc1-c1ccncc1)C1=NO[C@@H](c2ccccc2)C1 110400462 AFUKXUBWZJWXOV-HXUWFJFHSA-N 343.386 4.205 0 50 EIAA CCCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169818872 UTBUXRBFRRNCJX-UHFFFAOYSA-N 330.547 4.347 0 50 EIAA CC(C)Cc1ccccc1-c1nc(CC(=O)Nc2ccccc2)no1 170615948 TYKRDZPRVMUKJM-UHFFFAOYSA-N 335.407 4.116 0 50 EIAA CC[C@@H](C)CN(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 170625046 BZFZSTHBWTXYTB-CYBMUJFWSA-N 341.480 4.130 0 50 EIAA Cc1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)co1 188189755 FRWBLLLOJNDNJQ-GOSISDBHSA-N 325.408 4.246 0 50 EIAA COc1ccc(C(=O)C[C@@H](C)C(=O)O[C@@H](C)c2cccc(F)c2)cc1 225618970 LFFTVEHCTPKEOU-KGLIPLIRSA-N 344.382 4.348 0 50 EIAA CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H]2CCCc3occc32)s1 266564966 WANAKTAPQIKANX-OCCSQVGLSA-N 347.484 4.387 0 50 EIAA CCOc1cccc(CN[C@H]2COCc3ccccc32)c1OC(F)F 418103154 VVKHCNICTVYUEX-INIZCTEOSA-N 349.377 4.048 0 50 EIAA Cc1nnc(C[C@@H]2CC[C@H](N[C@H](C)c3cc(C)c(F)c(C)c3)C2)o1 952890293 RVRUNQPZVYPZGC-UNEWFSDZSA-N 331.435 4.196 0 50 EIAA COC[C@@H](C)N(Cc1ccccc1C)C(=O)c1cccn1C(C)C 952967598 BUEIZCCBGCHPFH-QGZVFWFLSA-N 328.456 4.055 0 50 EIAA FC(F)(F)c1cccc(-c2nccn2[C@@H]2CCCN3CCC[C@H]23)c1 1772809911 HBFFZPHVCOKNJB-HZPDHXFCSA-N 335.373 4.368 0 50 EIAA CCCc1ccc([C@H](C)NC[C@H](CO)Cc2ccccc2C)cc1 2325842466 ZOCCDHRDNSDTAQ-AZUAARDMSA-N 325.496 4.449 0 50 EIAA CC(=O)N1Cc2ccc(NCc3ccc(C)c4cccnc34)cc2C1 2325854166 QPPNSBMTDUMYNR-UHFFFAOYSA-N 331.419 4.017 0 50 EIAA COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@H](C)C2 35599 BEUPHCIEQJCRAZ-JTQLQIEISA-N 347.411 4.051 0 50 EIAA CCOc1ccc(NC[C@@H](O)Cn2c(C)c(C)c3ccccc32)cc1 86843 OLJIRVLFEXAKQR-GOSISDBHSA-N 338.451 4.130 0 50 EIAA CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 110824 UVRJQTZXCTVUQI-SMDDNHRTSA-N 343.398 4.330 0 50 EIAA CCOc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc1 217841 FLDBVFFMMYXGQD-UHFFFAOYSA-N 334.419 4.439 0 50 EIAA O=C(CCNc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 409537 XAFAAJPMCUHVNE-UHFFFAOYSA-N 338.190 4.407 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 434306 DWENROATSDBDOI-UHFFFAOYSA-N 329.831 4.003 0 50 EIAA CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 4842412 FGOQURSUSRWYDW-UHFFFAOYSA-N 334.375 4.347 0 50 EIAA CC(C)(C)c1cc(NC(=O)c2cc(Br)cs2)no1 12381609 IPRNRENPNDXZPG-UHFFFAOYSA-N 329.219 4.048 0 50 EIAA Cc1ccc(CN[C@H](C)c2cnc(N(C)C3CCCCC3)nc2C)o1 12836697 UHIZUIDDHDYUJC-OAHLLOKOSA-N 342.487 4.306 0 50 EIAA CCn1cc(CN2Cc3ccccc3O[C@H](c3ccccc3)C2)c(C)n1 14993314 FCZFQXHWQOBTHG-QFIPXVFZSA-N 347.462 4.347 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1OC 15837528 JQPCUEWLFPHJKM-ZDUSSCGKSA-N 332.425 4.134 0 50 EIAA Fc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(Cc2ccco2)C1 23129670 LRUIPOAQDPURNE-CQSZACIVSA-N 325.387 4.188 0 50 EIAA CC[C@@H](C)C(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67883866 DYLBFULJBJKXQA-CQSZACIVSA-N 339.435 4.135 0 50 EIAA CN(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 72144925 BQJAJUJUZFIODW-HNNXBMFYSA-N 343.393 4.044 0 50 EIAA COc1cccc([C@@H]2CCCCN2C(=O)c2cccc(N(C)C)c2)c1 77342900 DKJMNZLZVCRPPM-FQEVSTJZSA-N 338.451 4.129 0 50 EIAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-n2cccn2)c1 97729444 CGRPGSKVOGUBGW-HXUWFJFHSA-N 331.419 4.158 0 50 EIAA O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 100573910 CQYGCUSVMDHCTG-LBPRGKRZSA-N 334.202 4.116 0 50 EIAA O=C(N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1)N[C@@]12CCC[C@H]1[C@H]1CC[C@H]2C1 102970384 OCLJVESFZXJORW-YJWDZELQSA-N 328.500 4.223 0 50 EIAA COc1cc(F)c(NCc2nc(-c3ccc(C)c(F)c3)no2)cc1F 125073532 UIEQTPMZMRLCBL-UHFFFAOYSA-N 349.312 4.083 0 50 EIAA CC(=O)Nc1nc(-c2ccccc2)c2c(-c3ccccc3)ccnn12 169681446 CPYURRBPABUFTL-UHFFFAOYSA-N 328.375 4.022 0 50 EIAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc2cnn(C(C)C)c2c1 179721455 NUXPFCUYRIBDRA-GFCCVEGCSA-N 339.443 4.089 0 50 EIAA Cc1[nH]nc2ccc(-c3cncc(N[C@@H](CO)c4ccccc4)c3)cc12 209451426 SWXADLXPEUSILB-NRFANRHFSA-N 344.418 4.079 0 50 EIAA CC(C)N1CCC[C@@H]1CNC(=O)c1ccc(-c2cccc(F)c2)cc1 215309416 YKUIJNROPSCSOW-HXUWFJFHSA-N 340.442 4.095 0 50 EIAA Cc1cccc(-c2cccc(NC(=O)N3CCCN(C)C[C@H]3C)c2)c1 299780877 CMBBQAGSERQHFU-QGZVFWFLSA-N 337.467 4.220 0 50 EIAA FC(F)(F)Cn1ccnc1CN1C[C@@H]2CCCC[C@]21c1ccccc1 368550144 WOMCPDILJKZBGI-WMZOPIPTSA-N 349.400 4.347 0 50 EIAA CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(Cl)cc1C2 409419070 QCRPMXZBIGLNAV-UHFFFAOYSA-N 336.863 4.325 0 50 EIAA Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@@H](C)[C@H](C)C3)cc2F)n1 499589836 KSBOWRYVVCKEMC-CHWSQXEVSA-N 344.434 4.138 0 50 EIAA O=C(O)[C@@H]1CCN(C(=O)c2cc3ccccc3s2)[C@H]2CCCC[C@@H]21 659191074 WNZDXYXSPLWCCO-KFWWJZLASA-N 343.448 4.007 0 50 EIAA O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1occ2c1CCOC2 795944227 HBUYUAALKVGCAH-UHFFFAOYSA-N 345.826 4.205 0 50 EIAA Cc1cc(CNc2cccc(Oc3cnccn3)c2)c2c(n1)CCCC2 1355233395 QQWUTXJYHUCSOF-UHFFFAOYSA-N 346.434 4.463 0 50 EIAA C[C@@H]1CCc2nc(C(=O)N[C@@H](CC(F)(F)F)C(C)(C)C)ccc2C1 1875355798 ADCKAAMKZCTBEZ-ABAIWWIYSA-N 342.405 4.303 0 50 EIAA Cc1cccc(C[C@H](CC(=O)O)C(=O)Nc2cccc(Cl)c2C)c1 49602 SUOYQYMDKFKTDK-OAHLLOKOSA-N 345.826 4.229 0 50 EIAA CCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1Cl 384728 BZFHCCUOODLDPH-UHFFFAOYSA-N 339.844 4.156 0 50 EIAA COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1Cl 436041 SNHBFPDDLQYEAZ-UHFFFAOYSA-N 340.206 4.328 0 50 EIAA CCOc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1ccccc1 528939 FRPHBZNFRVMLQB-OAHLLOKOSA-N 347.480 4.248 0 50 EIAA CCOC(=O)c1ccc(NC(=S)Nc2ccccc2SC)cc1 610673 KPOPCIMNFLJXAU-UHFFFAOYSA-N 346.477 4.394 0 50 EIAA Cc1nc2c(-c3ccccc3)cnn2c(NCc2cccnc2)c1C 5267380 CSYSCLOUUBNKJL-UHFFFAOYSA-N 329.407 4.020 0 50 EIAA CCc1cccc(NC(=S)Nc2sc(CC)cc2C(=O)OC)c1 6284378 RAMOXJHEJXVMHQ-UHFFFAOYSA-N 348.493 4.468 0 50 EIAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)cc1 12308738 UXBIFDGIJPQITP-IWGBCORSSA-N 349.478 4.321 0 50 EIAA CC(=O)Nc1cccc(NC(=O)c2csc3c2CC[C@@H](C)C3)c1 13326796 OKEXRRVPSOXDEP-LLVKDONJSA-N 328.437 4.084 0 50 EIAA CC[C@H]1CCCCN1C(=S)Nc1ccc2c(C)cc(=O)oc2c1 17067848 NHQWWOZGKYMEMX-AWEZNQCLSA-N 330.453 4.063 0 50 EIAA Clc1ccccc1CN1CCN(Cc2c[nH]c3ccccc23)CC1 19360228 ZWSNCXPKPRQXSL-UHFFFAOYSA-N 339.870 4.139 0 50 EIAA CCc1cc(OCCCCN2C[C@@H](C)O[C@H](C)C2)ccc1Cl 20166952 KVLYPGAFXFBFOL-HUUCEWRRSA-N 325.880 4.171 0 50 EIAA CCc1ccccc1NC(=O)NCc1cccc(Br)c1 20213700 MZOFEPGTJVLPKB-UHFFFAOYSA-N 333.229 4.333 0 50 EIAA CC(C)(C)c1cc(=O)[nH]c(-c2ccccc2CN2CCCCCC2)n1 48170769 WNKLRMRLGRSGOD-UHFFFAOYSA-N 339.483 4.110 0 50 EIAA C[C@@]1(O)CCN(c2nc3ccccc3s2)C[C@@H]1Cc1ccccc1 71439392 WVWDADGROHIBSD-OXJNMPFZSA-N 338.476 4.116 0 50 EIAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C)cc2C)C1 95356317 RKMCQSXSRVFPNL-GOSISDBHSA-N 339.483 4.320 0 50 EIAA CCCNC(=O)OC[C@]12CO[C@@H](c3ccco3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 252694890 RHJNFYSWNCBAHO-JMLXPOELSA-N 347.455 4.322 0 50 EIAA biogenic O=C(NCCc1nc(C2CCCCC2)cs1)c1cc(C2CC2)no1 333415308 DXAALDDGMHTNPG-UHFFFAOYSA-N 345.468 4.029 0 50 EIAA Cc1cnccc1-c1cccc(C(=O)N[C@@H](C)CCCC(C)(C)O)c1 426722667 QYCCSJBCNMHMGG-INIZCTEOSA-N 340.467 4.117 0 50 EIAA C[C@@H](CN1CCCCCC1)NCc1ccc(C(F)(F)F)cc1F 1506399107 YRUOIVCDNZDEOH-ZDUSSCGKSA-N 332.385 4.199 0 50 EIAA CSc1cccc(CN(C)C(=O)COc2ccccc2Cl)c1 1506419103 XKJQGDGRMPSVPH-UHFFFAOYSA-N 335.856 4.099 0 50 EIAA Cc1ncccc1C(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1529126776 PRGJWDZWOJTELO-RBUKOAKNSA-N 338.451 4.018 0 50 EIAA COC(=O)c1sccc1Oc1ncc(C(F)(F)F)cc1Cl 169401 ZMNRQFRVQOIYPF-UHFFFAOYSA-N 337.706 4.394 0 50 EIAA CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc(C)c1C 450443 HWXPCPIHLHGTDN-UHFFFAOYSA-N 335.425 4.014 0 50 EIAA Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCCC3)n2)cc1 2217150 SIQRIPKVPGNHQJ-UHFFFAOYSA-N 347.418 4.338 0 50 EIAA CCOc1ccccc1C(=O)Nc1ccc(Br)cc1C 2834049 GIWFQSISQKYNSF-UHFFFAOYSA-N 334.213 4.409 0 50 EIAA CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)cc1C 4870799 RWSKDOITYITDBS-UHFFFAOYSA-N 334.419 4.088 0 50 EIAA O=C(Nc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1 5439920 SMTKGVOHTAFUDR-UHFFFAOYSA-N 329.787 4.111 0 50 EIAA Cc1cc(C)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(C)c1 12778908 JWOOFYBJPMCMLJ-IBGZPJMESA-N 339.435 4.422 0 50 EIAA CC[C@H](C)c1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 12865079 PJKVSXFPDVJJMZ-HNNXBMFYSA-N 344.499 4.423 0 50 EIAA CC(C)=CC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 14966525 PGSVJGSMUDBIOS-MRXNPFEDSA-N 346.446 4.058 0 50 EIAA CCCN1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 15078614 KHSCJQGTMYZBEN-GOSISDBHSA-N 336.479 4.205 0 50 EIAA CC(C)CN1CCC[C@@H]1c1ccc(C(=O)Nc2cccnc2)s1 23251320 SCKSUSVTTVNSRX-OAHLLOKOSA-N 329.469 4.188 0 50 EIAA O=c1c(CN2CCc3ccccc3C2)coc2ccc(Cl)cc12 23281239 BRWIQGKBMWIJDD-UHFFFAOYSA-N 325.795 4.005 0 50 EIAA O=C1C[C@@H](c2cccc3[nH]ccc23)c2c(n[nH]c2-c2ccccc2)N1 67679022 QHRRPQUHXBWKKY-HNNXBMFYSA-N 328.375 4.032 0 50 EIAA Cc1nc([C@H](C)N(C)Cc2cnc(-c3cccs3)nc2)c(C)s1 72144763 OUKPRIVPGIKTPU-NSHDSACASA-N 344.509 4.471 0 50 EIAA COc1ccc(OC)c(Nc2nc(C(F)(F)F)nc3ccccc23)c1 72240723 GEUSIUAYDJPUNP-UHFFFAOYSA-N 349.312 4.409 0 50 EIAA COCCC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 82120541 WTZZSMMRZRUOBX-OAHLLOKOSA-N 329.362 4.127 0 50 EIAA CC1(C)C[C@@](CCNc2nnc(C3CC3)o2)(c2ccccc2)CCO1 91440469 GAWIQWAXIMOYEY-FQEVSTJZSA-N 341.455 4.276 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)c1[nH]c2c(C)ccc(C)c2c1C 91625759 AONKZOSZTBHWPH-MRXNPFEDSA-N 328.456 4.124 0 50 EIAA COc1ccc(NC(=O)N[C@H](CC(C)C)c2cccnc2)c(F)c1 97436915 KEJYCICNYORPOW-QGZVFWFLSA-N 331.391 4.138 0 50 EIAA CCn1ccc(=O)nc1SCc1csc(C2CCCCC2)n1 170619198 MLPSADDCLMRJKX-UHFFFAOYSA-N 335.498 4.060 0 50 EIAA O=C(Nc1ccc2cc[nH]c2c1)c1cccc(OCc2cccnc2)c1 194809614 VJXZSEMMQMUHIZ-UHFFFAOYSA-N 343.386 4.394 0 50 EIAA CO[C@H]1CCCCC[C@H]1NC(=O)c1cccc(Oc2nccs2)c1 225453931 SHMPGOQNHITHRM-CVEARBPZSA-N 346.452 4.013 0 50 EIAA Cc1ccc(-c2cc(C(=O)NC[C@H](C)c3ccccc3C)no2)cc1 227155323 GSQISNAQSNWFQP-INIZCTEOSA-N 334.419 4.492 0 50 EIAA CCN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@@H](c1ccc(F)cc1)c1ccccn1 245312473 JKSOGEZRANEEKH-CUDHKJQZSA-N 338.426 4.205 0 50 EIAA Cc1ccc(C(=O)[C@@H]2CCC[C@@H](C(=O)c3ccc(C)cc3)C2=O)cc1 252571469 XXWTWUUZRHVHSH-OALUTQOASA-N 334.415 4.354 0 50 EIAA CCOc1ccc([C@@H]2CCCN2C(=O)Nc2c(C)noc2C)cc1 331609309 WKMNJZIJWCMKNM-INIZCTEOSA-N 329.400 4.059 0 50 EIAA CCOc1cccc2cc([C@H](C)NC(=O)N3CCC=C(C)C3)oc12 332250242 BMRGCFRYLHKTNF-AWEZNQCLSA-N 328.412 4.254 0 50 EIAA CC(C)C[C@H](C)n1nccc1NC(=O)c1coc(Br)c1 340343118 PPQZZOLSBDBVHW-JTQLQIEISA-N 340.221 4.098 0 50 EIAA COc1ccc(C[C@H](C)CN2C[C@@H](C)C[C@@H]2c2cccnc2)cc1F 1308670360 PVWJYWSPOLRRAW-TWOQFEAHSA-N 342.458 4.491 0 50 EIAA COc1ccc(C[C@H](C)CN2C[C@H](C)C[C@H]2c2cccnc2)cc1F 1308670579 PVWJYWSPOLRRAW-YRNRMSPPSA-N 342.458 4.491 0 50 EIAA Cn1cc(NC(=O)Cc2ccc(C3CCC3)cc2)c(-c2ccco2)n1 1339088289 XVPBPOQMWXYFSX-UHFFFAOYSA-N 335.407 4.129 0 50 EIAA Cc1csc(N(C(=O)c2oc(C3CC3)nc2C(F)F)C2CC2)n1 1354724895 HPILVIVSKHHEPN-UHFFFAOYSA-N 339.367 4.064 0 50 EIAA COc1cc(-c2nccn2C2(C3CC3)CC2)ccc1OCC(C)C 1857700352 FSGNSSBIVOSSNL-UHFFFAOYSA-N 326.440 4.493 0 50 EIAA C[C@H](Oc1ccc(Cl)nc1)c1nc([C@@H](C)Oc2ccccc2)no1 1875259506 TYEIUNLFRUVHCT-NEPJUHHUSA-N 345.786 4.398 0 50 EIAA Cn1nc(CNCc2cccc3ccsc23)c2c1CCC(F)(F)C2 2325819210 NCRKWYLZGYPLBD-UHFFFAOYSA-N 347.434 4.049 0 50 EIAA C[C@H]1CN(c2cccc(-n3ccnc3)n2)CCc2ccc(Cl)cc21 2325854714 RBUQSTQNQFEJSK-AWEZNQCLSA-N 338.842 4.087 0 50 EIAA O=C(O[C@@H]1CC[C@@H]1c1ccc(Cl)cc1)c1n[nH]c2c1CCCC2 2325872002 DEXBUJQDCRWISN-CZUORRHYSA-N 330.815 4.045 0 50 EIAA COc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 357433 NXWXNRBMJSRGGR-UHFFFAOYSA-N 331.371 4.179 0 50 EIAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cn1 459826 CHTYRCURYVSTJO-UHFFFAOYSA-N 345.613 4.368 0 50 EIAA Cc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 616065 UQHJEJUJBDBEEV-UHFFFAOYSA-N 338.632 4.341 0 50 EIAA CCOc1ccc(C(=O)N(CCN(CC)CC)c2ccccc2)cc1 4542981 SPOZUEJJHCFGJP-UHFFFAOYSA-N 340.467 4.074 0 50 EIAA O=C(O)c1cccc(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 4723973 MQDAIDCUEBTDPQ-UHFFFAOYSA-N 346.795 4.381 0 50 EIAA COc1cc(CNCc2ccc3ccccc3c2)cc(OC)c1OC 4891769 NXSQTQBKAZNIAZ-UHFFFAOYSA-N 337.419 4.155 0 50 EIAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 10772618 MOLKQRSKTQHIFL-UHFFFAOYSA-N 348.805 4.213 0 50 EIAA Cc1cc(=O)oc2cc(NC(=S)N3[C@@H](C)CCC[C@H]3C)ccc12 13081303 CEIOOOQFRWKQHS-BETUJISGSA-N 330.453 4.061 0 50 EIAA COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 13124762 BAIZGCLOUWAISR-HOTGVXAUSA-N 340.814 4.086 0 50 EIAA Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1 13587769 RFLHBLWLFUFFDZ-UHFFFAOYSA-N 339.439 4.187 0 50 EIAA in-vitro CC/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O 27645223 BLWCDFIELVFRJY-IXQKDQKQSA-N 336.472 4.158 0 50 EIAA endogenous,in-man CCn1ncc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)c1C 91270354 GGNPSWNFNHVLBD-UHFFFAOYSA-N 343.814 4.055 0 50 EIAA Cc1cccc(OC2CN(C(=O)c3oc4cc(C)ccc4c3C)C2)c1 91535526 QGXBDPNCDUFIRX-UHFFFAOYSA-N 335.403 4.261 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(-c2ncc[nH]2)c1 97436867 RKILPXBHRKJIKT-IBGZPJMESA-N 331.419 4.362 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(Cn2cccn2)c1 97631918 IYGBMVPIPMJXSY-NRFANRHFSA-N 345.446 4.217 0 50 EIAA COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2C[C@H]2c2ccccc2Cl)cc1 239475408 AOBGNMLTZIDGHZ-DWRORGKVSA-N 341.838 4.124 0 50 EIAA O=C(CSc1ccc(Cl)cc1)N[C@@H]1COC2(CCCCC2)C1 426701548 DRIFLKBOONWDQS-AWEZNQCLSA-N 339.888 4.040 0 50 EIAA O=C(N[C@H](c1ccncc1)C1CC1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 894574137 AAWYACKCUFMYJV-KSZLIROESA-N 341.842 4.041 0 50 EIAA C[C@@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)c1ccccc1 952881403 LTVATGBSPUMEEQ-CYBMUJFWSA-N 349.459 4.324 0 50 EIAA O[C@@H](c1cccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1506427656 YNZCVWGYQQXIAA-OAHLLOKOSA-N 342.386 4.112 0 50 EIAA Cc1nc(-c2nccn2C2c3ccccc3-c3ccccc32)cn1C 1857727011 HUMLODJFKLLBSY-UHFFFAOYSA-N 326.403 4.210 0 50 EIAA O=C(NC[C@@H]1[C@@H]2CCOC[C@@H]21)c1cc(-c2ccccc2)ccc1Cl 1875312254 JNGIEQXYPCKVAL-JQHSSLGASA-N 341.838 4.019 0 50 EIAA C1=C(c2ccccc2)C[C@H]2CC[C@H]1N2c1cccc(-n2ccnc2)n1 2325854743 SDHBMTDHUYXQGM-RTBURBONSA-N 328.419 4.092 0 50 EIAA COc1ccc(CC(=O)Nc2ccc(N(C)C)c3ccccc23)cc1 451806 HMMRVKPBTKGUIO-UHFFFAOYSA-N 334.419 4.096 0 50 EIAA Cc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)cc1Cl 608917 MUKWLOMMALASFH-UHFFFAOYSA-N 338.190 4.132 0 50 EIAA CSc1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 609578 YBVRPLVRQNYOBQ-UHFFFAOYSA-N 346.496 4.045 0 50 EIAA CCOC(=O)c1c(-c2ccc(Cl)cc2)cn2c(C)cc(C)nc12 1385392 USCDFTMSISIPRM-UHFFFAOYSA-N 328.799 4.448 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 2763783 NCKVDCNUYPFALP-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA COc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1 3612599 FJCQKMWHKAZJLF-ZDUSSCGKSA-N 335.407 4.328 0 50 EIAA Cc1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1Cl 4078375 OUJXUDFGVNPRFB-UHFFFAOYSA-N 326.783 4.233 0 50 EIAA CC[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 13330151 DBRKIFMTFWNOLP-CQSZACIVSA-N 345.798 4.048 0 50 EIAA Fc1ccccc1[C@H]1CN(Cc2ccncc2)Cc2ccccc2O1 19608595 NLXUQVAFBSAJNJ-OAQYLSRUSA-N 334.394 4.357 0 50 EIAA O=C(NCCC1=CCCCC1)c1ccc(NC(=O)C2CCC2)cc1 55119457 QZYAFLXQZAJHFX-UHFFFAOYSA-N 326.440 4.046 0 50 EIAA CSc1cccc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)c1 55197063 OYRRUAPTYQETKH-FQEVSTJZSA-N 330.541 4.106 0 50 EIAA Cc1cncnc1C1CCN(Cc2cccc(Cl)c2Cl)CC1 97446860 YTCYKXDAUSOTHT-UHFFFAOYSA-N 336.266 4.471 0 50 EIAA CN(Cc1ccccc1F)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101173463 FLFUABZSQYAQLW-NRFANRHFSA-N 346.405 4.351 0 50 EIAA CCCCOc1ccc(S(=O)(=O)N(CC)CC)cc1C(C)C 170615114 ZANCLDLRMBIGHR-UHFFFAOYSA-N 327.490 4.019 0 50 EIAA CCNc1nnc(SCc2sc(C)nc2C(F)(F)F)s1 183657703 YCCRMYKCHRRTMB-UHFFFAOYSA-N 340.421 4.046 0 50 EIAA CC(C)(C(=O)Nc1ccncc1F)c1ccc(OC(F)(F)F)cc1 189109192 DVRMDLQSDZVBJH-UHFFFAOYSA-N 342.292 4.036 0 50 EIAA Cc1ccc(C[C@H](Nc2ncnc3onc(C)c23)c2ccccn2)cc1 192456574 RFPYKBIKJZAHPP-KRWDZBQOSA-N 345.406 4.026 0 50 EIAA Cc1nc2ccccc2nc1CN1CCC[C@@H]1c1cc(C(C)C)on1 215016639 HZMPTBXXNRJTML-LJQANCHMSA-N 336.439 4.387 0 50 EIAA O=C(c1cccc([C@@H]2CCOC2)c1)N(Cc1ccco1)c1ccccn1 242164659 WWUQEJWJDVNOLT-GOSISDBHSA-N 348.402 4.026 0 50 EIAA CC(C)c1cc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)no1 244701014 JYKCPZWDOKHNLB-INIZCTEOSA-N 328.391 4.151 0 50 EIAA C[C@H]1CN(C(=O)Nc2nccn2-c2ccccc2)[C@H]1c1ccccc1 252496619 PNBTVGLPNMMFJB-MAUKXSAKSA-N 332.407 4.097 0 50 EIAA O=C(NCCCCc1ccc(Cl)s1)[C@H]1C[C@@H]1c1cccnc1 252500232 SPVFYESNXFYTHB-CABCVRRESA-N 334.872 4.039 0 50 EIAA Cc1csc([C@@H](NC(=O)Nc2c(C)cccc2C)C(F)(F)F)n1 296720156 BVLSAKOQRWYCKT-GFCCVEGCSA-N 343.374 4.493 0 50 EIAA O=C(c1cccnc1-c1ccc(F)cc1Cl)N1C[C@H]2CC[C@@H]1C2 426529328 OJXWECYRPSUITF-WCQYABFASA-N 330.790 4.166 0 50 EIAA Cc1cc(NC(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)ccc1N 850776687 WWJQSBZQZXRUKX-KRWDZBQOSA-N 339.414 4.474 0 50 EIAA CC(C)[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875329706 DZRZMEYRZJGNGU-NWDGAFQWSA-N 343.393 4.134 0 50 EIAA CC1(C)CCC[C@@H]1c1noc(-c2cc3nccc(C(F)F)n3n2)n1 2325774459 GYIQJDVNRCOYJC-SECBINFHSA-N 333.342 4.011 0 50 EIAA CC(=O)Nc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1 73645 WJVOXGWHDVGEPS-UHFFFAOYSA-N 344.465 4.146 0 50 EIAA CCOc1ccccc1NC(=O)Cc1ccc(Br)cc1 457016 QLHAQBQPYGFSKO-UHFFFAOYSA-N 334.213 4.029 0 50 EIAA CC(C)(C)c1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 525975 LLTNVQNXMXIDKW-UHFFFAOYSA-N 335.436 4.212 0 50 EIAA O=C(CSc1nnc(-c2ccncc2)o1)c1ccc2ccccc2c1 611524 VSBKMBOVDREWNH-UHFFFAOYSA-N 347.399 4.260 0 50 EIAA CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C 1925610 VEVAMFAQWOFZGL-UHFFFAOYSA-N 339.844 4.156 0 50 EIAA COc1cccc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)c1 2434618 PVRXEIURFNOULE-UHFFFAOYSA-N 336.387 4.259 0 50 EIAA O=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1 2874820 CDUAAQYLKYPZPG-UHFFFAOYSA-N 331.347 4.197 0 50 EIAA aggregator COc1cc2c(cc1OC)[C@H](C)N(C(=S)Nc1ccccc1)CC2 8829169 PYEBXBDLDDUNBN-ZDUSSCGKSA-N 342.464 4.020 0 50 EIAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccccc1Cl 10155760 VINNOXVOLIBVHY-CYBMUJFWSA-N 331.799 4.150 0 50 EIAA Cc1cccnc1CCNc1nncc(-c2cccc3ccccc23)n1 12318748 ZLDCNDQIXKSWAM-UHFFFAOYSA-N 341.418 4.050 0 50 EIAA C[C@H](Cc1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 23280609 WJYIYVYHENNDET-GFCCVEGCSA-N 337.341 4.155 0 50 EIAA COCCCN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67491124 KWJAZGRZRIBHDT-UHFFFAOYSA-N 347.462 4.138 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)cc1O 71738737 MCLYHOCGQXZNES-QGZVFWFLSA-N 341.426 4.325 0 50 EIAA Cc1nc(CO[C@H]2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 170599807 GLUPPYLBLSRCQS-WFASDCNBSA-N 349.500 4.089 0 50 EIAA O=C(CC1CCC2(CC1)OCCO2)N1CCCCC[C@@H]1c1ccco1 170607151 LTZGCPHUDDIGAG-QGZVFWFLSA-N 347.455 4.047 0 50 EIAA COc1ccc(OC)c2c1[C@H](c1cccc(N)c1)O[C@H]1CCCC[C@@H]21 242437259 BVMLGIDRODFNIZ-XFQAVAEZSA-N 339.435 4.432 0 50 EIAA Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@H]1c1cccn1C 248142357 QRSBEGZJEAHYSN-BEFAXECRSA-N 335.451 4.223 0 50 EIAA CC[C@H](C)[C@@H](NC(=O)c1nc(C)sc1C)c1nc2ccccc2[nH]1 252492612 MQMHWASLRCGGRV-ZUZCIYMTSA-N 342.468 4.153 0 50 EIAA Cc1ccccc1-n1cc(CN2CCCC[C@@H]2c2nccs2)cn1 648005376 AHMFVPBSLZWVTM-GOSISDBHSA-N 338.480 4.364 0 50 EIAA Cc1ccccc1-n1cc(CN2CCC(c3cccc(O)c3)CC2)cn1 828925234 MKBVPQJVKZMOTG-UHFFFAOYSA-N 347.462 4.266 0 50 EIAA Fc1ccc(OC[C@H]2CCCO2)c(-c2cccc3nsnc23)c1 952847879 BHJLKRHJZLUPGQ-GFCCVEGCSA-N 330.384 4.055 0 50 EIAA Cc1cc(NC(=O)[C@H](C)Cc2ccccc2)cc2sc(N)nc12 952965777 CONMEZREFDVBEP-GFCCVEGCSA-N 325.437 4.004 0 50 EIAA COc1ccc([C@@H]2CCN(Cc3cncc(-c4cccnc4)c3)C2)cc1 1875330110 OOGNRMRHGRLYJJ-HXUWFJFHSA-N 345.446 4.142 0 50 EIAA Cc1ccnc2ccc(C(=O)NCc3c[nH]c4ccc(F)cc34)cc12 2325822824 QSICKKLSNQQWAV-UHFFFAOYSA-N 333.366 4.094 0 50 EIAA CC[C@H](C)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 121739 IQOVNHLCKPZXBD-AWEZNQCLSA-N 327.424 4.399 0 50 EIAA biogenic COc1ccc(OC)c([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)c1 451390 JJNQPZGCWQVOCK-LSDHHAIUSA-N 327.424 4.075 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 452297 ARLASTAXDPTIFO-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA CCOc1ccccc1NC(=S)NCCCCc1ccccc1 2856741 YTQZHDCPQOITLE-UHFFFAOYSA-N 328.481 4.395 0 50 EIAA O=C1c2ccccc2C(=O)N1CCOc1ccccc1-c1ccccc1 2875855 HMUKJDIGAWITKJ-UHFFFAOYSA-N 343.382 4.029 0 50 EIAA COc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1OC 4331027 HZMYKBIHBOJKOH-UHFFFAOYSA-N 342.420 4.183 0 50 EIAA COc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)cc1C 4810900 FVGBQBJAXHZXIV-UHFFFAOYSA-N 339.844 4.075 0 50 EIAA Cc1nc2sc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c(N)c2c(C)c1C 6659479 BMZKYRZDWXTOPE-UWVGGRQHSA-N 331.485 4.207 0 50 EIAA Cc1cccc(CN2CCC(C(=O)NCCC3=CCCCC3)CC2)c1 16606501 LCEPOBLSRKEYSX-UHFFFAOYSA-N 340.511 4.214 0 50 EIAA Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc3c(c2)OCO3)c1 17067293 JKHRRKXCSOGVAB-ZDUSSCGKSA-N 328.437 4.080 0 50 EIAA Cc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C(=O)O)cc2)s1 170044208 XZZFVAOCBYNECK-MRXNPFEDSA-N 343.448 4.051 0 50 EIAA COc1ccccc1[C@H]1CCN(CCCc2ccc3c(c2)CCO3)C1 170607073 VCADUFHQRPEDDY-IBGZPJMESA-N 337.463 4.052 0 50 EIAA O=C(CCc1cscn1)N1Cc2ccccc2C[C@@H]1c1ccccc1 174654622 ZMGCAHDXZQZFPN-HXUWFJFHSA-N 348.471 4.402 0 50 EIAA O=C(Nc1ccncc1F)N1CCC[C@@H]1c1nc2ccccc2s1 184190530 BRJPDKSYJVNESZ-CQSZACIVSA-N 342.399 4.199 0 50 EIAA C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 239038943 FDZKCQHNVWZCIJ-QPBVPSRGSA-N 345.442 4.172 0 50 EIAA CN(C)c1ncn(-c2cccc(NCc3csc4ccccc34)c2)n1 242047796 VQEZIPDOMIFWJP-UHFFFAOYSA-N 349.463 4.160 0 50 EIAA Cn1ccc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc21 248085005 REKAKZULHZAHRZ-GOSISDBHSA-N 344.418 4.032 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)[C@]2(C)CCCCO2)CC1 299790039 AXNPTYBORXDYPM-IBGZPJMESA-N 333.497 4.037 0 50 EIAA COC[C@H]1C[C@@H](NC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 933826029 HHZFUYVWBFHKSF-FZNQNYSPSA-N 349.434 4.381 0 50 EIAA C[C@H](Sc1nc(-c2ccc3c(c2)CCC3)n[nH]1)C(=O)c1ccccc1 952881415 LTVATGBSPUMEEQ-ZDUSSCGKSA-N 349.459 4.324 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)CC(=O)Nc1ccccc1F 1506402506 JBBBRYBVMVUNTB-GOSISDBHSA-N 329.419 4.023 0 50 EIAA Cc1cc(NC(=O)c2cccc(OC(F)F)c2)n([C@@H](C)C2CC2)n1 1529113253 DAXYMVQNKDOAMT-NSHDSACASA-N 335.354 4.016 0 50 EIAA CC[C@@H](NCc1cccc(-c2ccncc2)c1)[C@@H](O)c1ccccc1 1875339113 WRXOSWJROQMYTA-YADHBBJMSA-N 332.447 4.350 0 50 EIAA Cc1cc(C)c2sc([C@@H](C)NCC3(n4ccnn4)CC3)c(C)c2c1 1875405573 JWGAPERLDMLHEC-OAHLLOKOSA-N 340.496 4.258 0 50 EIAA C[C@@H](N)C(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 2325867128 LQFPTCPVRQZEQP-GFCCVEGCSA-N 329.469 4.144 0 50 EIAA COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1ccccc1)N2 35137 PTLIOFQMZLWJCC-RTBURBONSA-N 325.408 4.492 0 50 EIAA Cc1cc(C)cc(NC(=O)COc2ccccc2Br)c1 141185 ANIMLSYEVJVMRN-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA Brc1ccc(I)c2ccccc12 405209 HQHHKYXPFKHLBF-UHFFFAOYSA-N 332.966 4.207 0 50 EIAA in-vitro COc1ccc(Cl)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 441562 DHWICLONOSPONF-UHFFFAOYSA-N 345.704 4.500 0 50 EIAA COc1cc(OC)cc(C(=O)N(Cc2ccccc2)C(C)(C)C)c1 464760 OWXRFUVLSKMWAA-UHFFFAOYSA-N 327.424 4.145 0 50 EIAA CC(C)c1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 612484 QLQNXTNUZXUFQM-UHFFFAOYSA-N 339.508 4.329 0 50 EIAA CCCc1cc(-n2nc(C)cc2C)n2nc(C)c(-c3ccccc3)c2n1 2353309 VWNOVDNGKLRDMH-UHFFFAOYSA-N 345.450 4.460 0 50 EIAA Cc1cc(C)c(S(=O)(=O)Nc2nc3ccc(C)cc3s2)c(C)c1 2831873 XWTIRWJYUBBKCU-UHFFFAOYSA-N 346.477 4.331 0 50 EIAA CCc1cc2c(SCC(=O)Nc3cccc(C)c3)ncnc2s1 2846770 RSOQFPFJXZMREB-UHFFFAOYSA-N 343.477 4.293 0 50 EIAA Cc1cc(OC(=O)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 2879469 NUAQOSQKCLRKRG-UHFFFAOYSA-N 334.371 4.199 0 50 EIAA CN1N=C(c2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)C1=O 6638292 GTVYCMJNPZUHDY-HNNXBMFYSA-N 333.218 4.343 0 50 EIAA Cc1cccc(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1C 6699160 WUAJQAOLFZOREO-UHFFFAOYSA-N 337.423 4.183 0 50 EIAA C[C@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 6703269 SXMMEOVYOLWFFJ-AWEZNQCLSA-N 334.375 4.023 0 50 EIAA CC1(C(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1 12279290 UXVQITJDHYYTKM-AWEZNQCLSA-N 347.867 4.288 0 50 EIAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)[C@H]1CCCO1 12384997 LLCUSVLXASIFOR-MOXGXCLJSA-N 336.435 4.144 0 50 EIAA CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccccc1 13328838 MPYNPWZKCAUTSH-RHSMWYFYSA-N 327.424 4.075 0 50 EIAA CCc1cn[nH]c1[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 20598331 LCBKOXJOBJWZMT-HNNXBMFYSA-N 337.389 4.371 0 50 EIAA O=C(O)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccccc3)nn12 20615926 GHQUIUKVYYCERG-UHFFFAOYSA-N 349.777 4.415 0 50 EIAA CCc1cc2c(SCC(=O)O)nc(-c3ccccc3)nc2s1 41090329 BTHWVGWUMZPEKF-UHFFFAOYSA-N 330.434 4.097 0 50 EIAA CCc1c(C(=O)N2CCC[C@H](Cc3cccnc3)C2)[nH]c2ccccc12 67921715 BDAGVGAPZGXXIV-QGZVFWFLSA-N 347.462 4.220 0 50 EIAA CCCSc1ccccc1NC(=O)N[C@@H](CC)c1nc(C)c[nH]1 96132590 RTXXMCWHZAHVRF-ZDUSSCGKSA-N 332.473 4.493 0 50 EIAA CCN(C(=O)c1ccco1)[C@H](c1cccnc1)c1ccc(F)cc1F 112639872 DUJVZKGRUQVIIO-GOSISDBHSA-N 342.345 4.205 0 50 EIAA CC(C)n1nccc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 129901945 QGKKWWJLHPWWSH-MRXNPFEDSA-N 339.439 4.030 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)O[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)oc12 170634954 OWUHUINPSMCJFT-JEBQAFNWSA-N 328.408 4.328 0 50 EIAA Fc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c(F)c1 239426003 VOXCPUZBKUNEOO-VQTJNVASSA-N 334.454 4.194 0 50 EIAA Cc1c(C(=O)Nc2ccc(C(C)(C)C)cc2)nnn1-c1ccccc1 252494812 OFMWKQHZVIPYTO-UHFFFAOYSA-N 334.423 4.126 0 50 EIAA CC(C)(C)c1ccc(C(C)(C)CNC2CCC(C(=O)O)CC2)cc1 263404384 JESUGRLRMMHVLM-UHFFFAOYSA-N 331.500 4.495 0 50 EIAA Cc1noc(C)c1CCc1nc(-c2ccc(C(F)(F)F)cc2)no1 273632335 APQRBCMOPRKCRS-UHFFFAOYSA-N 337.301 4.145 0 50 EIAA Clc1ccccc1OCc1noc(C(Cl)(Cl)Cl)n1 526055997 KUXSVDJCLWKFKQ-UHFFFAOYSA-N 327.982 4.129 0 50 EIAA CC(C)CCOc1ccc([C@H](C)NC(=O)CCn2cccc2)cc1 673653930 HSWQPBGJYAMSLU-KRWDZBQOSA-N 328.456 4.181 0 50 EIAA O=C(O)c1ccc2c(c1)[C@H](CNCc1ccc3[nH]ccc3c1)CCC2 901879375 NEJDYRHZXSRWAK-SFHVURJKSA-N 334.419 4.076 0 50 EIAA CC1(C)CN(C(=O)Cn2ncc3ccccc32)c2cccc(Cl)c21 1338860005 AYBXDPIRMWMJEL-UHFFFAOYSA-N 339.826 4.014 0 50 EIAA COC1(CC(=O)Nc2cc(C)c(C3CC3)cc2Cl)CCOCC1 1875317275 SYPZDNKXAIYBNO-UHFFFAOYSA-N 337.847 4.050 0 50 EIAA COc1cccc([C@H](C)c2noc(Cc3ccc(O)c(Cl)c3)n2)c1 1875336058 RBPBJBLVLIGNOS-NSHDSACASA-N 344.798 4.180 0 50 EIAA COc1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 477776 SSLNDMDPKKUELC-UHFFFAOYSA-N 339.174 4.042 0 50 EIAA O=C(Nc1ccccc1)OCCOc1ccc(Br)cc1 2893373 ZZPUSOZSWKJVFS-UHFFFAOYSA-N 336.185 4.077 0 50 EIAA CCOC(=O)c1c(NC(=O)OC)sc2c1CC[C@H](C(C)(C)C)C2 5020886 OVFXWNYRSQMFEV-JTQLQIEISA-N 339.457 4.254 0 50 EIAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 7056450 MNJQJRJMYTZPDW-CYBMUJFWSA-N 349.452 4.018 0 50 EIAA Clc1cccc([C@@H]2CCN(c3nncc(-c4ccccc4)n3)C2)c1 11707475 MHRWDAGZAVPDOH-MRXNPFEDSA-N 336.826 4.186 0 50 EIAA CC(=O)N(CC1CCN(CCc2ccccc2C)CC1)C1CCCC1 11839188 ZGVBNKJUIVLIME-UHFFFAOYSA-N 342.527 4.041 0 50 EIAA O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1ccccc1F 11865814 POWHJVSRABSEFW-MRXNPFEDSA-N 344.411 4.100 0 50 EIAA CCN(CCn1cccn1)Cc1nc(-c2ccccc2Cl)oc1C 11934534 RTIPEOSZXYQREG-UHFFFAOYSA-N 344.846 4.022 0 50 EIAA CCCN(CCC)C(=O)c1ccc(NC(=O)c2cccs2)cc1 12404269 MZYXGBXRZOWVEQ-UHFFFAOYSA-N 330.453 4.263 0 50 EIAA CCOC(=O)c1cc(Cl)c(Br)c(Br)c1 36532944 NDQVOMSACBVPJP-UHFFFAOYSA-N 342.414 4.042 0 50 EIAA Cc1cc2nc(-c3ccccc3)cc(N[C@@H](C)Cc3cccnc3)n2n1 72479845 VJNXIPPIGOOZRH-HNNXBMFYSA-N 343.434 4.143 0 50 EIAA Cc1ccc(NC(=O)C2CCCC2)cc1-n1ccnc1-c1[nH]cnc1C 77538976 QLICYWFTVRVCMH-UHFFFAOYSA-N 349.438 4.008 0 50 EIAA Cc1ccc(C)c(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1 100341850 BFIVUNIEZKYGGG-OAHLLOKOSA-N 327.811 4.079 0 50 EIAA CC[C@@H](N[C@@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 163820376 GOWLBMWEZWPDJP-HRAATJIYSA-N 340.467 4.441 0 50 EIAA CC(C)n1ccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1 179069185 NELMUHYLEZKRQD-LJQANCHMSA-N 340.858 4.392 0 50 EIAA CC1(C)C[C@H](NC(=O)N[C@@H](c2ccccc2)c2ccco2)C(C)(C)O1 182249566 WMYAZMGFIKNYLS-IRXDYDNUSA-N 342.439 4.014 0 50 EIAA O=C(c1nc2cccnc2s1)N1CCCCC[C@H]1c1ccco1 193952813 NVRRFAZNDNWQFD-ZDUSSCGKSA-N 327.409 4.042 0 50 EIAA O=C(NCCCNc1cccnc1)c1cccc(Oc2ccccc2)c1 223753028 BPYDHDUNWLVMOR-UHFFFAOYSA-N 347.418 4.106 0 50 EIAA FC(F)(F)Cn1ccnc1CN1C[C@H]2CCCC[C@@]21c1ccccc1 368550143 WOMCPDILJKZBGI-SJLPKXTDSA-N 349.400 4.347 0 50 EIAA CCc1ccc2occ(C(=O)Nc3ccc4c(c3F)CCNC4)c2c1 423655625 SMPBFZRXALXHEL-UHFFFAOYSA-N 338.382 4.032 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)c(F)c1F 822376032 AGQUEROELDTGBJ-GFCCVEGCSA-N 344.361 4.041 0 50 EIAA Cc1nc(-c2cccc(NC(=O)C[C@@H]3CCCC3(F)F)c2)[nH]c1C 930548445 CVEKKRBFXUZDLE-AWEZNQCLSA-N 333.382 4.458 0 50 EIAA Clc1cccc(-c2nc(CN3CCC(c4ncco4)CC3)co2)c1 931450166 RAQJHPXRPHBTDE-UHFFFAOYSA-N 343.814 4.363 0 50 EIAA Cc1cc2sc(NC(=O)N3CCCc4occc4C3)nc2s1 952845628 IQIRTGKURHSNBE-UHFFFAOYSA-N 333.438 4.240 0 50 EIAA CN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCc2ccccc21 1352059421 RZKPJLMBTKNXQA-OAQYLSRUSA-N 335.447 4.090 0 50 EIAA CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1C[C@H]2C=C[C@@H]1C2 1565510402 JLHJUSZBWDPXIJ-LESCRADOSA-N 341.451 4.145 0 50 EIAA CC(C)(C)c1coc(CNC(=O)Nc2cccc([C@@H]3CC3(F)F)c2)n1 2325781881 YRULRMHZQNLEFR-ZDUSSCGKSA-N 349.381 4.416 0 50 EIAA C[C@@H](SCc1ccc(C(F)(F)F)c(Cl)c1)C(=O)N1CCC1 2325817126 PGDRWPFNYSOQFO-SECBINFHSA-N 337.794 4.213 0 50 EIAA O=C1c2ccccc2C(=O)N1CNc1ccc(Oc2ccccc2)cc1 96806 MGXHLCANMKGZNB-UHFFFAOYSA-N 344.370 4.145 0 50 EIAA biogenic COc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1Br 358995 IAAAYBUAIIYDQL-UHFFFAOYSA-N 341.588 4.330 0 50 EIAA CC(C)N(C(=O)c1ccc(C(=O)OCc2ccccc2)cc1)C(C)C 436575 CCUNCKKEGKEPJG-UHFFFAOYSA-N 339.435 4.303 0 50 EIAA CCCN(CCC)S(=O)(=O)c1ccc(OCC)c2ccccc12 453660 AOTMBIXUVDNKMP-UHFFFAOYSA-N 335.469 4.049 0 50 EIAA O=C(C[C@@H]1Sc2ccccc2N=C1O)Nc1ccc(Cl)cc1 1299465 IYIITGYYTBUPTI-AWEZNQCLSA-N 332.812 4.431 0 50 EIAA C[C@@H]1CCCCN1CCCNC(=O)Nc1c(Cl)cccc1Cl 2171837 OAAGFPCQIUVWSN-GFCCVEGCSA-N 344.286 4.379 0 50 EIAA C[C@H]1C[C@@H](C)CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 3904793 ALSKJBPWZSRVLV-KSZLIROESA-N 336.479 4.133 0 50 EIAA C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 10461598 SYPMORGLIPPKAD-HOTGVXAUSA-N 336.435 4.057 0 50 EIAA O=C(NCCC1CCCCCCC1)[C@H]1CCC(=O)N(C2CCCC2)C1 11948401 KMKWKULUHMEJCD-SFHVURJKSA-N 348.531 4.034 0 50 EIAA Cc1oc(-c2cccc(F)c2F)nc1CN(C)[C@@H](C)c1ccon1 15074130 DVQKWJVKXSYAMI-JTQLQIEISA-N 333.338 4.109 0 50 EIAA Cc1cc(Cn2ccc(-c3cccc(-c4ncccc4C)c3)n2)no1 19743973 XXLKIBBQJZGIFO-UHFFFAOYSA-N 330.391 4.265 0 50 EIAA CCCCN(Cc1ccco1)C(=O)Cc1csc(SCC)n1 55359886 RWLQLSPIUBFEJB-UHFFFAOYSA-N 338.498 4.220 0 50 EIAA O=C(O)c1ccccc1-c1c(-c2ccccc2)ncn1C[C@@H]1CCCO1 65394497 XGTJFANUFSFSNO-INIZCTEOSA-N 348.402 4.094 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](C)c3cncs3)c2c1 77470027 GZROHGWUVJJMQG-CYBMUJFWSA-N 325.437 4.141 0 50 EIAA CCOc1ccc(NC(=O)N[C@H](CC)c2cc(C)ccn2)c(F)c1 97568993 FLCSYJXMPWDMMY-OAHLLOKOSA-N 331.391 4.201 0 50 EIAA C[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)C1(F)F 252484226 FSBNXANLCVPOPG-WQVCFCJDSA-N 345.393 4.032 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@H]1C1CCCC1 252515311 IHNAWVBPGOALLC-OKZBNKHCSA-N 336.520 4.192 0 50 EIAA CCN(CC)CCN(CC)C(=O)Nc1ccc(Cl)c2ncccc12 299769950 KKLXEQAACNHUEK-UHFFFAOYSA-N 348.878 4.084 0 50 EIAA Oc1cc(Br)cc2c1-c1ccc(Br)cc1C2 675050768 VGMGLORXEUSWKI-UHFFFAOYSA-N 340.014 4.488 0 50 EIAA Cc1noc(C)c1[C@@H](C)NC[C@H]1CCN(c2ccccc2Cl)C1 926675054 HJNDGHOITDFLML-IUODEOHRSA-N 333.863 4.122 0 50 EIAA Cc1onc(-c2cccs2)c1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 1335876781 JQJNPGVEUMTQQP-JTQLQIEISA-N 342.424 4.131 0 50 EIAA O=C(NC[C@@H]1C[C@@H]1c1cccs1)c1cc(-c2ccc(F)cc2)on1 1857799261 UCGRMTNQONRTOI-JSGCOSHPSA-N 342.395 4.076 0 50 EIAA CN(C(=O)c1cc2c(F)ccc(F)c2[nH]1)[C@H]1CCc2ccccc21 1875259203 QCKWASIBRMEQRD-KRWDZBQOSA-N 326.346 4.206 0 50 EIAA Cc1c(Cl)cccc1-c1nc(-c2cccs2)nn1CCN(C)C 1875347204 KQFLIWJQWGPXCA-UHFFFAOYSA-N 346.887 4.197 0 50 EIAA Cc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)ccc1Cl 144454 CTRLTHDYAGWYFQ-UHFFFAOYSA-N 333.815 4.453 0 50 EIAA COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 463436 DVPWLEMQMJFSEX-CQSZACIVSA-N 327.424 4.399 0 50 EIAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)cc1 1384260 PVUDZTKHCJHHOJ-UHFFFAOYSA-N 341.720 4.386 0 50 EIAA CCCCOc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 1779524 QVMOWRJGRBJKMT-UHFFFAOYSA-N 327.424 4.500 0 50 EIAA Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1C 2330772 NQCADDSTCKYLEU-UHFFFAOYSA-N 347.823 4.273 0 50 EIAA CCCc1ncc([C@](O)(c2ccccc2)c2cc(C)ccc2C)n1C 4663983 PLRIJQYABADXAE-QFIPXVFZSA-N 334.463 4.274 0 50 EIAA CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 4850540 VPCBTZQPZJOSOY-UHFFFAOYSA-N 339.420 4.287 0 50 EIAA CCc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 6714598 JGFDCBRNPNLNSG-UHFFFAOYSA-N 343.858 4.257 0 50 EIAA CCOc1ccc2[nH]/c(=N\C(=O)c3cc4ccccc4o3)sc2c1 8744534 PWARUHCPHLCYGU-UHFFFAOYSA-N 338.388 4.115 0 50 EIAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)C2=CCCC2)c1C 12050473 AJOQOUPZJUMDIF-GOSISDBHSA-N 335.451 4.093 0 50 EIAA CC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)c1ccncc1 12382853 YGZFQTCMVDOFHR-UHFFFAOYSA-N 332.425 4.084 0 50 EIAA c1cncc(CN2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)c1 12433846 BYQVOVKQJBPXIF-UHFFFAOYSA-N 340.430 4.183 0 50 EIAA COC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(F)cc1 12950809 RDYBFVSCCCZGJV-UHFFFAOYSA-N 327.380 4.332 0 50 EIAA S=C(Nc1ccccc1)Nc1ccn(Cc2ccc(Cl)cc2)n1 13330920 RNZCLNKOJBAETI-UHFFFAOYSA-N 342.855 4.394 0 50 EIAA CC(=O)Nc1ccc(-c2cccc(-c3cc[nH]n3)c2)c2cccnc12 23366830 WQHYTSVUZIGBJR-UHFFFAOYSA-N 328.375 4.250 0 50 EIAA Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc(OC(F)F)cc1 77344252 TYBYSBRWGBAHEB-KRWDZBQOSA-N 349.425 4.238 0 50 EIAA O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H]1c1ccc(F)cc1 77472074 QAGNCEBCOAFVIZ-HXUWFJFHSA-N 349.409 4.379 0 50 EIAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)CN5CCCC5)(C4)C2)C3)cc1 100902440 FFAIDMIJFPVFBB-WSUXWNOTSA-N 337.507 4.498 0 50 EIAA Cc1ccc(F)cc1C(=O)N(c1cccc(F)c1)C1CCOCC1 150949526 DSELRUJNTYPEOZ-UHFFFAOYSA-N 331.362 4.099 0 50 EIAA Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 156513687 QNUCZLMIWJTLHR-HOTGVXAUSA-N 349.459 4.280 0 50 EIAA CCc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169775608 MFVVGKDKUKIUKV-UHFFFAOYSA-N 343.390 4.500 0 50 EIAA O=C(c1ccc2ccccc2n1)N1CCC(OCC2CCCC2)CC1 175631556 OBCBMXHCMVWSMM-UHFFFAOYSA-N 338.451 4.046 0 50 EIAA O=C(Cc1ccc(Cl)s1)N1CCCC[C@H]1c1nccs1 193703396 DPYNUXWYSUBOEA-NSHDSACASA-N 326.874 4.154 0 50 EIAA CCOc1cc(C(N)=O)cc(Cl)c1OCc1ccccc1Cl 216835990 MTSXKZWDDARNBI-UHFFFAOYSA-N 340.206 4.070 0 50 EIAA Cc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c(C)c1 239121068 JFWAHTOTLIRFHK-GUDVDZBRSA-N 333.431 4.377 0 50 EIAA Cc1ccc([C@H](C)NC(=O)c2cnn(CCC(C)C)c2C(C)C)o1 252492321 MISUSMVDVANBOE-HNNXBMFYSA-N 331.460 4.445 0 50 EIAA O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 252501366 UFHQCQSOLSQFTO-RMIALFOJSA-N 339.313 4.411 0 50 EIAA Cc1ccc(CC2CCN(C(=O)c3cc(C(C)C)on3)CC2)cc1 253393780 VULACLGNZWYBEO-UHFFFAOYSA-N 326.440 4.201 0 50 EIAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncccc1Cl 306523006 MUVSNIBSHYPWRU-UHFFFAOYSA-N 328.796 4.412 0 50 EIAA Cc1noc([C@@H]2CCCN(c3ccnc4cc(F)c(Cl)cc34)C2)n1 333569151 PKRYOAPVYQNAJV-LLVKDONJSA-N 346.793 4.103 0 50 EIAA Cc1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1N(C)C 752195190 JJLXEYSUILZGII-UHFFFAOYSA-N 340.448 4.015 0 50 EIAA C=CC(=O)Nc1cc(NC(=O)C2[C@H]3CCCCCC[C@H]23)ccc1F 829801252 OGHDXSLNRNDLDI-KBPBESRZSA-N 330.403 4.105 0 50 EIAA CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc(O)cc(F)c1)CCO2 926208849 BEBIRDNZPXJOTO-SGTLLEGYSA-N 331.387 4.104 0 50 EIAA CC[C@H](NC(=O)N(C)Cc1nc2cccc(C)c2[nH]1)c1ccccc1 1506406233 FLHCSMYXCMKRPF-INIZCTEOSA-N 336.439 4.164 0 50 EIAA CC(C)Oc1cccc(CN(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1 1704344503 OWVHKIYJNPKEBI-FGYAAKKASA-N 330.516 4.024 0 50 EIAA O=C(Nc1cccc([C@@H](F)C(F)(F)F)c1)c1cnn(C2CC2)c1 1776000054 XYZIQOKRSUNFPE-CYBMUJFWSA-N 327.281 4.043 0 50 EIAA C[C@@H]1c2ccc(O)cc2CCN1C[C@@H](O)Cc1ccc2ccccc2c1 1875340689 MZVRHCQZWUAXDJ-ZHRRBRCNSA-N 347.458 4.068 0 50 EIAA O=C(Nc1ccccc1)N1CC[C@@]2(c3ccccc3)[C@H](C1)C2(F)F 2325756057 BUJSEJOGEHZFCY-FUHWJXTLSA-N 328.362 4.127 0 50 EIAA CC(=O)CCc1c(C)nc2ccc(Br)cc2c1Cl 290647 UXTJVRBASMVHGG-UHFFFAOYSA-N 326.621 4.481 0 50 EIAA CC1(C)Cc2c(sc3ncnc(NCc4ccccc4)c23)CO1 319458 KFTTXPGSOXJWCR-UHFFFAOYSA-N 325.437 4.155 0 50 EIAA O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccccc1F 475550 PZQJZWBUVWNMDY-UHFFFAOYSA-N 334.322 4.480 0 50 EIAA CCOc1ccc(NC(=S)NCCc2cccc(Cl)c2)cc1 611624 ZROKMTOFWJZUOT-UHFFFAOYSA-N 334.872 4.268 0 50 EIAA Cc1ccc(N2CCN(C(=S)Nc3ccccc3F)C[C@H]2C)cc1 611744 SZTPOUYEXPEUHZ-OAHLLOKOSA-N 343.471 4.042 0 50 EIAA Clc1ccc(Br)cc1-c1nc(-c2ccncc2)no1 621239 FUWIMUYDFFIVTF-UHFFFAOYSA-N 336.576 4.215 0 50 EIAA Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C)cc3C)C2=O)c1 1232459 XEEOMZRAXDQLRZ-INIZCTEOSA-N 326.421 4.250 0 50 EIAA O=C(Nc1ccccc1)OCCOc1ccccc1Br 2893371 FGSMMMUZEPXRHN-UHFFFAOYSA-N 336.185 4.077 0 50 EIAA O=C(NC[C@H](O)c1ccc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 5777927 WPNVLNPYVNXQQI-RWENRRORSA-N 349.474 4.206 0 50 EIAA Cc1ccc(-c2n[nH]cc2CN(C)C[C@@H]2Cc3ccccc3O2)cc1C 11664603 AITKBSOTJSGBFH-FQEVSTJZSA-N 347.462 4.129 0 50 EIAA Cc1cc(NC(=O)CCCc2cccs2)ccc1N1CCCC1=O 11744376 DBFQCFFYICOMAO-UHFFFAOYSA-N 342.464 4.145 0 50 EIAA CSc1cccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 12429707 YYURZIRBLUTIHO-OAQYLSRUSA-N 341.520 4.226 0 50 EIAA CCOc1ccc(NS(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 14256121 BUVIRWWSBJACHB-AWEZNQCLSA-N 333.453 4.400 0 50 EIAA O[C@H](COC1CCCCC1)Cn1cnc(-c2ccccc2)c1C1CC1 65373302 GXLXLRZFPCAPQL-SFHVURJKSA-N 340.467 4.138 0 50 EIAA Cn1ccc2ccc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)cc21 95507285 GRDPTXBJZFNHHQ-INIZCTEOSA-N 338.838 4.461 0 50 EIAA CCCC[C@H](CC)C(=O)NC[C@@H](C)NC(=O)[C@H](CC)CCCC 101897959 NQBVGWKSYOLZMJ-IXDOHACOSA-N 326.525 4.040 0 50 EIAA CC(C)N(C(=O)c1ccccc1-c1cc(C(F)(F)F)n[nH]1)C(C)C 426575072 UQSYLNVPZBVXMM-UHFFFAOYSA-N 339.361 4.355 0 50 EIAA Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccnn1C1CCCC1 449251579 QILAPTOKVALPIB-AWEZNQCLSA-N 329.492 4.109 0 50 EIAA CC(C)(C)n1nccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F 455200834 WZATWYQOTYOTKY-OAHLLOKOSA-N 348.397 4.285 0 50 EIAA COc1ccc2cc([C@@H](C)OC(=O)C[C@@H](C)n3ccnc3)ccc2c1 844413731 NFFQAJHSLDZVLQ-HUUCEWRRSA-N 338.407 4.300 0 50 EIAA Cc1cccc(-c2cccc(C(=O)NOCCOc3ccccc3)c2)c1 1472341320 AJXWOYALAOKSRR-UHFFFAOYSA-N 347.414 4.402 0 50 EIAA C[C@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1ccc2c(c1)CCC2 1875264343 MCGRLKNMHLSRAC-LBPRGKRZSA-N 337.448 4.118 0 50 EIAA C=CC(=O)N(Cc1ccc2ccccc2n1)c1ccc(N(C)C)cc1 1875375036 ORYSGMJCXYZSCS-UHFFFAOYSA-N 331.419 4.020 0 50 EIAA CCCOc1ccc(C(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1C(C)C 2325758366 GYWKANNGHPMMTQ-GJZGRUSLSA-N 333.472 4.285 0 50 EIAA CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 64212 FDLZPEFISWDPFM-VAWYXSNFSA-N 329.783 4.169 0 50 EIAA Fc1ccccc1Nc1nc(NC[C@@H]2CCCO2)c2ccccc2n1 90361 ZGOVASAFQLMKPM-ZDUSSCGKSA-N 338.386 4.103 0 50 EIAA COc1ccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 147054 VUKSLVWCJZRKAV-UHFFFAOYSA-N 327.424 4.319 0 50 EIAA CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 316045 GANNYOXLLPQREB-UHFFFAOYSA-N 348.493 4.033 0 50 EIAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 390775 BXEHBSZUFMKXTB-UHFFFAOYSA-N 336.178 4.131 0 50 EIAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)O)c1C 468409 OXQPIZCVNMABDR-CYBMUJFWSA-N 341.407 4.224 0 50 EIAA Cc1ccc(CSc2nnc(COc3ccc(C)cc3)n2C)cc1 612702 VYOYXDQUCHLKAB-UHFFFAOYSA-N 339.464 4.303 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12 986623 LMWJZIYIFBIHIV-UHFFFAOYSA-N 346.430 4.237 0 50 EIAA CCCCN1C(=O)S/C(=C\c2cc(OCC)c(OC)cc2C)C1=O 2816859 GZJNVBZVDYINQB-WJDWOHSUSA-N 349.452 4.239 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccc(O)c2)on1 3908312 BAZFFANZAJOHNN-UHFFFAOYSA-N 332.718 4.092 0 50 EIAA CCc1cc2c(SCC(=O)c3ccc(OC)cc3)ncnc2s1 4184586 WTRSOMAGWSQLNH-UHFFFAOYSA-N 344.461 4.237 0 50 EIAA Clc1cc(Br)ccc1OCCN1CCCCCC1 4986229 HOJRCZCXYMCMLY-UHFFFAOYSA-N 332.669 4.357 0 50 EIAA COc1ccc(CNCc2ccc(OC)c3ccccc23)cc1OC 5916630 ZWRSVZJLCWESIR-UHFFFAOYSA-N 337.419 4.155 0 50 EIAA O=C(NC1CCCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 6700967 IXJUHPBZBUDCFK-UHFFFAOYSA-N 347.418 4.466 0 50 EIAA CC1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1 6728567 ZMEGKWSHMNRLJQ-UHFFFAOYSA-N 328.456 4.078 0 50 EIAA O=C(CCc1cccnc1)N1CCC[C@H](CCc2ccccc2F)C1 15074769 ZRYOAVCFDBVHDD-GOSISDBHSA-N 340.442 4.025 0 50 EIAA C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cccc(Cl)c4)cn1c23 33088857 KHMWQJAPCTZQSH-NSHDSACASA-N 338.794 4.024 0 50 EIAA CNc1ncccc1C(=O)N(Cc1sccc1C)C1CCCC1 55413817 YYRHYCBECXMRCR-UHFFFAOYSA-N 329.469 4.078 0 50 EIAA Cc1cc(C(=O)N(C)[C@@H](C)c2cncs2)c2ccc(C)c(C)c2n1 77299346 FKCKNAHNCSDVLW-AWEZNQCLSA-N 339.464 4.450 0 50 EIAA CCNc1nc(C)c(C(=O)N2CCC[C@](C)(c3ccccc3)C2)s1 95507922 BIXGVBKDAKQOOT-IBGZPJMESA-N 343.496 4.077 0 50 EIAA CN1CCN(c2c3c(nc4ccccc24)[C@@]2(C)CC[C@H]3C2(C)C)CC1 100389078 GRIFRVOZXAODGO-OPAMFIHVSA-N 335.495 4.162 0 50 EIAA COCCOc1cc(C(C)(C)C)c(OCCOC)cc1C(C)(C)C 143764419 BXGAYPHFADZNDI-UHFFFAOYSA-N 338.488 4.332 0 50 EIAA CN(CCC1(O)CCCC1)C(=O)c1cccc(-c2cccc(F)c2)c1 222299169 HCEKQSVZVJWIKO-UHFFFAOYSA-N 341.426 4.260 0 50 EIAA CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1cccnc1 230162212 JIFBHEAKSHKMJH-QWFCFKBJSA-N 338.426 4.205 0 50 EIAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1O 257346315 YATPIFKIZZKJFX-XGFHXOJWSA-N 334.500 4.322 0 50 EIAA Cc1ccc(C(=O)N2CCC(c3ccccc3C(=O)O)CC2)cc1C 372642786 UQICXLLSAXAXND-UHFFFAOYSA-N 337.419 4.021 0 50 EIAA O=C(c1ccc(-c2ccc(Cl)cn2)cc1)N1CCC(F)(F)CC1 426465348 XVTKXQCIXVRXPC-UHFFFAOYSA-N 336.769 4.273 0 50 EIAA O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1sccc1Cl 670463851 GBKQCHZMJVMVEL-HNNXBMFYSA-N 348.899 4.011 0 50 EIAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(C(C)C)nc3)[nH]c2c1 676426311 KXUZCHWWDWUSLP-LJQANCHMSA-N 348.450 4.367 0 50 EIAA COc1cc(Cl)ccc1Oc1ncnc2c1cnn2C(C)(C)C 817124864 KSGGIZYNUILNPW-UHFFFAOYSA-N 332.791 4.036 0 50 EIAA CC(C)(C)Cn1c(O)nc2cccc(-c3nc(C(C)(C)C)no3)c21 904349514 VGPBBLSEBLSYSX-UHFFFAOYSA-N 328.416 4.136 0 50 EIAA O=C(CSc1ncc(-c2ccc(Cl)cc2)[nH]1)Nc1ccccc1 952963879 MRWMYJLGXCANOX-UHFFFAOYSA-N 343.839 4.461 0 50 EIAA O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccccc1 59663 ZOOCKISDWQRWER-OAHLLOKOSA-N 334.238 4.228 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 61479 VHYSKWYZIZGSJB-UHFFFAOYSA-N 342.442 4.316 0 50 EIAA COc1ccc(C)cc1NC(=O)c1sc2nc(C)cc(C)c2c1N 149922 YISLUGRMWAXJNC-UHFFFAOYSA-N 341.436 4.065 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](CC)C2 173256 QDVMSOINSAONLU-LLVKDONJSA-N 347.436 4.285 0 50 EIAA Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1C 318327 ZQHYIZXXVGGHDL-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)cc1 364648 RAQYZKCOVIVIAL-GFCCVEGCSA-N 334.213 4.164 0 50 EIAA O=S(=O)(Nc1ccccc1F)c1ccc(-c2ccccc2)cc1 458925 JRNGVXDHGDOXRX-UHFFFAOYSA-N 327.380 4.294 0 50 EIAA COc1cc(C=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 2985099 YHGDSFUMNNFHSM-UHFFFAOYSA-N 328.408 4.263 0 50 EIAA Cc1cc(=O)oc2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc12 4387664 FUNYDQIYEMDREH-UHFFFAOYSA-N 338.403 4.223 0 50 EIAA Cc1ccnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1 8843362 MCBYLFFRCHSQPA-UHFFFAOYSA-N 348.431 4.327 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)cc1C 12054495 SPNYIIIHYJLTJW-IBGZPJMESA-N 326.415 4.159 0 50 EIAA CCCc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccccc1 12274670 KCZOMDUYGNTKOO-UHFFFAOYSA-N 334.423 4.089 0 50 EIAA C[C@H](Cc1nnc(NC(=O)Cc2cccs2)s1)c1ccccc1 12383643 NRUATEAZLHCFCC-GFCCVEGCSA-N 343.477 4.127 0 50 EIAA Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C 24614088 UITGTOUYPZKWAV-UHFFFAOYSA-N 340.442 4.293 0 50 EIAA O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)N1Cc1ccccc1 59615717 LSWFEKFANVJTSQ-SFTDATJTSA-N 341.410 4.005 0 50 EIAA CC(C)c1cc(Cn2ccnc2-c2cc3c(cc2Cl)OCO3)on1 71746447 JFZMVFLIKHGZHW-UHFFFAOYSA-N 345.786 4.092 0 50 EIAA O=C(c1ccc([C@H]2CCNC2)cc1)N(Cc1ccccc1)CC1CCC1 72125397 GUMTZAPMQJAIKM-QFIPXVFZSA-N 348.490 4.206 0 50 EIAA CSc1ncccc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 77472172 YPWLOFALBYGRTJ-INIZCTEOSA-N 330.428 4.310 0 50 EIAA CCCO[C@@H]1CCCN(C(=O)Nc2cccc(-n3cccc3)c2C)C1 96148723 NXUZYDKJXHHCGO-QGZVFWFLSA-N 341.455 4.209 0 50 EIAA Cc1n[nH]c(C)c1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 112274602 QPAXRCJUMWSOEQ-UHFFFAOYSA-N 343.333 4.349 0 50 EIAA Cc1occc1SCc1nnc(-c2ccc(Br)o2)o1 131427581 ALCHEECTNJVVRQ-UHFFFAOYSA-N 341.186 4.286 0 50 EIAA COc1cc(CN(C(=O)C[C@@H](C)c2ccccc2)C2CC2)ccc1O 157380303 SSRXHLDWDAGDGW-OAHLLOKOSA-N 339.435 4.086 0 50 EIAA CN(C)Cc1nc(N2CCCC2)c2c(-c3ccccc3)csc2n1 170604165 MLMCDHVSGQMQNQ-UHFFFAOYSA-N 338.480 4.020 0 50 EIAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nccs1 246858550 DLVQUIFASURMGD-BBWFWOEESA-N 326.465 4.309 0 50 EIAA C[C@]12CCC3(C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 257345862 LJKNOBNXTYYVSU-STBDEUKGSA-N 332.484 4.341 0 50 EIAA C[C@H](c1cc2ccccc2o1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O 277993134 UQVDDDILKVZXDD-VRKREXBASA-N 338.407 4.089 0 50 EIAA CC(F)(F)c1ccc(C(=O)N2CCC(c3ccncc3)CC2)cc1 292425702 LCUSMRRUFOBZEN-UHFFFAOYSA-N 330.378 4.213 0 50 EIAA O=C(Nc1cncc(F)c1)N[C@H]1CC2(CCCC2)Oc2ccccc21 333277270 IGAXZWVFFGYUOP-INIZCTEOSA-N 341.386 4.179 0 50 EIAA O=C(NCc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1 338460346 YKMXEVLTZPDMGQ-UHFFFAOYSA-N 341.314 4.230 0 50 EIAA O=C(Cc1cccs1)N1CCCC[C@H]1CCc1cccc(O)c1 952977092 OLKONVDHRLGIDH-INIZCTEOSA-N 329.465 4.010 0 50 EIAA COCC[C@H]1CCN(C(=O)c2coc(C3CCC3)n2)c2ccccc21 1337768771 ZCJLSRGOSAWABV-CQSZACIVSA-N 340.423 4.113 0 50 EIAA COc1ccccc1C(=O)Nc1c(-c2cccs2)nc2ccccn12 377179 XPGBBQKMZIZIDG-UHFFFAOYSA-N 349.415 4.324 0 50 EIAA COc1cccc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1 393104 OOOSPUHBGRSAHM-UHFFFAOYSA-N 348.354 4.134 0 50 EIAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 432687 MQKXDOXLKNLCEM-SFHVURJKSA-N 344.414 4.140 0 50 EIAA CCOc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 464426 IJOOUASAKIALTE-UHFFFAOYSA-N 346.235 4.193 0 50 EIAA COc1ccccc1O[C@@H](C)C(=O)Nc1nc2ccc(C)cc2s1 1056990 DRVLCSQYSVKLOC-LBPRGKRZSA-N 342.420 4.019 0 50 EIAA COc1cccc(Cl)c1NC(=O)c1cc2ccccc2cc1O 2539779 VKZCOGFDSNSDSQ-UHFFFAOYSA-N 327.767 4.460 0 50 EIAA Cc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(CC(C)C)cc1 2737953 BFHAWHBQNCIXGI-UHFFFAOYSA-N 346.452 4.120 0 50 EIAA CCc1cc(OCCOc2ccc(C=O)cc2OC)ccc1Cl 4702078 XJAGRBHIFJUMFI-UHFFFAOYSA-N 334.799 4.181 0 50 EIAA CCOc1ccc(C(=O)N(C)c2ccccc2)cc1Br 8723085 OESVWLOGQXWKDB-UHFFFAOYSA-N 334.213 4.124 0 50 EIAA Cc1cccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)C[C@H]2C)c1 13320320 KFTVBSCUTICSLM-MRXNPFEDSA-N 341.430 4.185 0 50 EIAA CCN1CCC(NC(=O)c2sc3cc(C)ccc3c2Cl)CC1 16602982 DBZJBQAPROCXHG-UHFFFAOYSA-N 336.888 4.077 0 50 EIAA CSc1cccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1 21660230 XBFBGFYHAQDDQE-UHFFFAOYSA-N 349.765 4.067 0 50 EIAA COCc1noc(-c2ccc(-c3ccc(Cl)c(Cl)c3)nc2)n1 72165404 BKWCYWVIRSOOJY-UHFFFAOYSA-N 336.178 4.252 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)c2ncc(F)cc2F)CC1 77319097 LCFWDJNSZKBGQL-UHFFFAOYSA-N 348.418 4.065 0 50 EIAA O=C1[C@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1cccc(Cl)c1 104275259 KFWBPLWYFUKRBD-TVFCKZIOSA-N 341.838 4.356 0 50 EIAA COc1cc(F)ccc1NC(=O)c1cncc(-c2ccc(C)cc2)c1 119907991 BYTMCAGJJQYKSU-UHFFFAOYSA-N 336.366 4.457 0 50 EIAA COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 169616131 NPIJXUGEZHABCE-XSXPHNMFSA-N 345.489 4.097 0 50 EIAA aggregator C[C@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccccc1-n1cccn1 170608798 LDHUZBXAWWTODX-QSOAKEGCSA-N 349.409 4.244 0 50 EIAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc(C2CC2)on1 179205450 AXKOYFDCHHXBAE-NSHDSACASA-N 333.457 4.274 0 50 EIAA CCOCc1cc(CN2CCC(c3ccncc3)CC2)ccc1OC 215242212 KCTKUKISKAWNCQ-UHFFFAOYSA-N 340.467 4.006 0 50 EIAA O[C@@H](CNCc1ccc(-c2ccccc2)o1)c1c(F)cccc1F 238066282 COEYEVZTLGURBP-KRWDZBQOSA-N 329.346 4.048 0 50 EIAA CC(C)n1cc([C@H](C)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cn1 245289841 FMSNPGKCZILYJI-FRQCXROJSA-N 346.544 4.259 0 50 EIAA O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1Cl 252444010 OIWCBYBVRZEGJY-STQMWFEESA-N 341.282 4.444 0 50 EIAA COCCOc1ccc(Sc2ncncc2-c2ccccc2)cc1 472445370 FNZULEHZJOKKMQ-UHFFFAOYSA-N 338.432 4.320 0 50 EIAA COc1ccnc(-c2noc(-c3[nH]c4ccc(C)cc4c3Cl)n2)c1 1775987014 VMQDEVXBZYRLSR-UHFFFAOYSA-N 340.770 4.250 0 50 EIAA CC(C)(CNC(=O)c1cccc(F)c1)c1coc(-c2ccccc2)n1 1875316049 RYRVWGCXDVQTDD-UHFFFAOYSA-N 338.382 4.188 0 50 EIAA C[C@H]1CCC[C@@H](C)N1CCN=c1[nH]c2c(s1)CCc1ccccc1-2 1875338857 NZGCZLQVJJXIRS-GASCZTMLSA-N 341.524 4.005 0 50 EIAA Cc1cccc(C[C@@H](C)NC(=O)c2c[nH]cc2-c2ccccc2F)c1 1875349380 VHWAUHQRPNKPCT-OAHLLOKOSA-N 336.410 4.490 0 50 EIAA CC(C)(C)CCCCn1cc2cc(C(=O)N3CCCC3)ccc2n1 1875357755 VRKFWIMNEFVEKC-UHFFFAOYSA-N 327.472 4.489 0 50 EIAA CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(F)c(Cl)c1 2325825597 WMYCJMKODWMDQF-UHFFFAOYSA-N 335.806 4.325 0 50 EIAA CCNC(=O)c1n[nH]c2cc(-c3ccc(OCC4CC4)cc3C)ccc12 2325826144 QLMWLHXCWTZHJY-UHFFFAOYSA-N 349.434 4.077 0 50 EIAA COc1ccc(OC)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 45053 XRMZCCONLJVXTJ-UHFFFAOYSA-N 343.423 4.153 0 50 EIAA Cc1cc(Cl)ccc1NC(=O)c1cncc(Br)c1 145355 CZFWQQQTMFAFEM-UHFFFAOYSA-N 325.593 4.058 0 50 EIAA Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 452851 AIUMOFQIJLOPKK-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA COc1cccc(NC(=O)COc2cccc(-c3ccccc3)c2)c1 471526 LCDYMGBDQYUPMR-UHFFFAOYSA-N 333.387 4.380 0 50 EIAA FC(F)(F)c1cc(NCc2ccccc2)nc(-c2ccccn2)n1 1387860 HOPOGXURFUBCKZ-UHFFFAOYSA-N 330.313 4.170 0 50 EIAA O=C1c2ccccc2C(=O)N1c1ccc(OCc2ccc(F)cc2)cc1 4056245 KFKNTFUCDTXIJZ-UHFFFAOYSA-N 347.345 4.205 0 50 EIAA CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 4869147 WVXHKWZALCYNKK-UHFFFAOYSA-N 335.812 4.085 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1cc(F)c(F)c(F)c1F 6897504 FSJUWALGVJFPCQ-UHFFFAOYSA-N 333.668 4.157 0 50 EIAA COc1ccccc1CN1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 12027842 XXSAZYMLNJODET-QGZVFWFLSA-N 343.854 4.444 0 50 EIAA COc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 12584832 NAPKOFMVFHYAKB-CQSZACIVSA-N 339.414 4.179 0 50 EIAA Cc1cc(C(=O)N2CCC(C)CC2)c2c(-c3ccccc3)noc2n1 13641737 KTIIPROOJDGZCK-UHFFFAOYSA-N 335.407 4.070 0 50 EIAA CCOc1ccccc1-n1c(=S)[nH]c2sc(C)c(C)c2c1=O 17068452 QOAJKXPAMRARMB-UHFFFAOYSA-N 332.450 4.125 0 50 EIAA CCc1nc(C)sc1CNC(=O)c1csc(-c2cccs2)n1 82108788 NTTZUFDIAUTZOW-UHFFFAOYSA-N 349.506 4.129 0 50 EIAA CCSc1ccccc1NC(=O)NCc1sc(C)nc1CC 97675211 NWYDJBQHKFCTCA-UHFFFAOYSA-N 335.498 4.448 0 50 EIAA O=C(c1ccccc1Oc1ccccc1)N1CCC(c2ccn[nH]2)CC1 125480578 BKDVOOKUWTYJLW-UHFFFAOYSA-N 347.418 4.222 0 50 EIAA O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1scnc1C1CC1 182456290 QGWPYXMEJIIJGU-ZDUSSCGKSA-N 348.855 4.318 0 50 EIAA O=C1CC[C@H]2CN(C(=O)c3ccc(Cl)cc3F)c3cccc1c32 183803648 YYPGJJIFWMHLGP-JTQLQIEISA-N 329.758 4.200 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CCCOc2ccccc21 190521806 NYBIRRCJKAQYGB-HNNXBMFYSA-N 342.464 4.048 0 50 EIAA Cc1ccc(-c2nnc([C@@H](C)N3CC(C)(C)OC(C)(C)C3)o2)cc1C 190557873 ZYIDJRSHXRWFDW-OAHLLOKOSA-N 343.471 4.304 0 50 EIAA COc1ccc(OCC2CCN(Cc3coc(C(C)C)n3)CC2)cc1 216270580 RRVGNGZKIITPJL-UHFFFAOYSA-N 344.455 4.098 0 50 EIAA CC[C@H](C)c1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 239173591 OFOLNAZBRRZPJO-HIZVLOETSA-N 343.467 4.124 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21C=CC(=O)O1 257355909 DMEFWCRLNXTGFD-DNNXKHSDSA-N 342.479 4.162 0 50 EIAA COc1ccc2c(c1)[C@@H](C)N(C(=O)c1nc(C(C)C)cs1)CC2 299769554 NXIMWGFHNAMYNO-GFCCVEGCSA-N 330.453 4.035 0 50 EIAA CC(C)c1cc(CNC(=O)N2CCCC[C@H]2c2cccc(F)c2)no1 584891394 YCNQDQDJDPWFIO-KRWDZBQOSA-N 345.418 4.374 0 50 EIAA CCCC[C@H](C)N(C)C(=O)c1cn(C(C)(C)C)nc1Br 811957679 HKAYSTNMBHZQNE-NSHDSACASA-N 344.297 4.051 0 50 EIAA CCCOc1ccccc1C(=O)Nc1ccccc1CN1CCCC1 822985485 WOYYZJPXRHNFGY-UHFFFAOYSA-N 338.451 4.324 0 50 EIAA CSc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1 824932994 YOLQLFKELOTKMU-UHFFFAOYSA-N 342.464 4.047 0 50 EIAA CCc1ccc(-c2noc([C@H](C)n3ccc(C(F)(F)F)n3)n2)cc1 904573756 IZOBDQWTWBPPOL-JTQLQIEISA-N 336.317 4.124 0 50 EIAA CCc1nccn1C[C@H](C)NCCc1c(C)[nH]c2c(C)c(C)ccc12 1506402310 MZEOQUGFKLOCCS-HNNXBMFYSA-N 338.499 4.073 0 50 EIAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)c1ccc(C)n1C(F)F 1506411806 LIAJYXSPRRGFHM-UHFFFAOYSA-N 344.365 4.153 0 50 EIAA CC(C)Cc1ccccc1CN1CC[C@@H](CO)[C@H](c2ccccc2)C1 1875344368 IMOYNSYYMKEUGZ-GOTSBHOMSA-N 337.507 4.483 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)/C=C/c3cncs3)cc2)nc1 2325748807 UYUCEVFSPSMPCQ-BQYQJAHWSA-N 337.404 4.291 0 50 EIAA Cc1sc(C)c(C(=O)N[C@H]2CCc3ccc(Cl)cc32)c1C(=O)O 2325770621 MTJVGSRIFQXCCP-ZDUSSCGKSA-N 349.839 4.134 0 50 EIAA O=C(Nc1ccc2c(c1)CCC1(CCC1)O2)c1cc(-c2ccco2)[nH]n1 2325869925 BQTYXQHBZIAVFM-UHFFFAOYSA-N 349.390 4.170 0 50 EIAA COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 122718 OXAGLMPUASEGAP-UHFFFAOYSA-N 347.164 4.356 0 50 EIAA biogenic Cc1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1C 470143 SDDULWFRMZOUOW-UHFFFAOYSA-N 330.387 4.056 0 50 EIAA CCCC(=O)c1ccc(OCc2cc(C(C)=O)ccc2OC)cc1 613824 SXHVNTUQYPBJCF-UHFFFAOYSA-N 326.392 4.460 0 50 EIAA CC(=O)Oc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1 2783803 IEGMWQLRFHQMCY-LJQANCHMSA-N 331.371 4.239 0 50 EIAA O=C(Nc1cccc(C(=O)Nc2ccccc2F)c1)c1ccccc1 2826867 BVFOXSXHLRDQEZ-UHFFFAOYSA-N 334.350 4.330 0 50 EIAA O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 3000067 JLCMPWFOVQNUOP-UHFFFAOYSA-N 337.611 4.415 0 50 EIAA CCOc1cccc(CNCc2ccccn2)c1OCc1ccccc1 4942933 YQQXVUNXSLIUSA-UHFFFAOYSA-N 348.446 4.349 0 50 EIAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cccnc2)C1 12304726 MWTZCJSNENNJGD-MRXNPFEDSA-N 348.368 4.195 0 50 EIAA Cc1occc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1 12372523 RGZKGNTYEYLNBM-UHFFFAOYSA-N 337.331 4.361 0 50 EIAA c1ccc([C@H]2CCCN2c2nncc(-c3cc4ccccc4o3)n2)nc1 12435484 USSICVMEKWXPIP-QGZVFWFLSA-N 343.390 4.021 0 50 EIAA O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccc(Cl)cc1 13816768 XPQBWKDYNOKLSY-UHFFFAOYSA-N 343.839 4.189 0 50 EIAA COc1cc2c(c(OC)c1)[C@H](c1ccc(C(C)C)cc1)CC(=O)N2 17066619 DPSPHJXGZJXCGW-INIZCTEOSA-N 325.408 4.301 0 50 EIAA CCc1c(C)sc2[nH]c(=S)n(Cc3ccc(F)cc3)c(=O)c12 17070491 ORUMAANHPGYMTA-UHFFFAOYSA-N 334.441 4.179 0 50 EIAA C[C@H]1CN(CCn2c3ccccc3c3cc(Cl)ccc32)CCN1C 20536866 KSYZLPHSZSDIHK-HNNXBMFYSA-N 341.886 4.084 0 50 EIAA CC[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)OC)c1ccc(OC)cc1 71770754 PQRSCXOSMRYVDS-OALUTQOASA-N 328.408 4.154 0 50 EIAA Cc1ccccc1[C@H]1CCCN(C(=O)c2cnc(C(C)C)nc2C)C1 82134560 AVUUTDIXDTWKLZ-KRWDZBQOSA-N 337.467 4.237 0 50 EIAA CCc1cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)cs1 95360043 AFPNLTMQKPPFGL-CQSZACIVSA-N 331.485 4.108 0 50 EIAA CCn1nc(C)c(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c1C 121072488 KHKXFOVXEYDDPJ-SWLSCSKDSA-N 330.432 4.118 0 50 EIAA COc1cc(CNc2ccccc2OC(F)(F)F)cc(OC)c1 170596001 RCVYWEDWKLSQEQ-UHFFFAOYSA-N 327.302 4.215 0 50 EIAA Cc1nnc(-c2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)o1 174367167 QHQYLNWHEFFRIK-UHFFFAOYSA-N 345.761 4.019 0 50 EIAA C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC(NC(=O)C2CC2)CC1 195409456 JNDSKGCNYCJSBJ-OAHLLOKOSA-N 328.500 4.036 0 50 EIAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC2(CCOCC2)CC1 219088235 RRNFZZKBZVNVGO-UHFFFAOYSA-N 349.474 4.315 0 50 EIAA COCC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3F)c2)C1 219297104 SDFRJWKTBSTPCN-MRXNPFEDSA-N 341.426 4.381 0 50 EIAA Cc1nccn1CC[C@H](NC(=O)C1CCCCC1)c1ccccc1 219641090 ACRHZEIBRQKFJF-IBGZPJMESA-N 325.456 4.019 0 50 EIAA Cc1cc(NC(=O)[C@H](N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2)no1 229714992 PRESOVRBDLIODM-ZSFPCNDZSA-N 341.455 4.077 0 50 EIAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 239125196 KBSWKXKTLUQVDA-ZMYBRWDISA-N 335.403 4.405 0 50 EIAA CC(C)[C@H]1CC[C@H](C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 245503462 CYAAGQJMXPRYQJ-HAQNSBGRSA-N 348.434 4.283 0 50 EIAA C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253596590 SXXRMGBMPQWUTB-RKGSWTEASA-N 332.484 4.053 0 50 EIAA CN(Cc1ccc2cn[nH]c2c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273510741 QXAKRJUXUJCLIM-UYAOXDASSA-N 339.414 4.054 0 50 EIAA CCc1ccc(CCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 390653551 VXRVAQHVOJGGEL-UHFFFAOYSA-N 331.799 4.172 0 50 EIAA Cc1c(OC#N)c(-c2ccno2)cc2c(-c3ccccc3)cc(=O)oc12 826747080 UGLGSHGPTCOBPE-UHFFFAOYSA-N 344.326 4.283 0 50 EIAA O=C(Nc1cccc(NC(=O)[C@H]2CC23CCCCC3)c1)c1cccnc1 827701555 JYFMMHGVHLMJCS-GOSISDBHSA-N 349.434 4.243 0 50 EIAA COc1ccc2onc(CC(=O)Nc3cccc4ccccc34)c2c1 1350519701 QVSJTGCGUBWWTB-UHFFFAOYSA-N 332.359 4.171 0 50 EIAA COc1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 240191 JDYXFMUXYCXJMQ-QGZVFWFLSA-N 327.453 4.014 0 50 EIAA biogenic COc1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 318594 LBWUVAQHKJDERI-UHFFFAOYSA-N 334.371 4.493 0 50 EIAA C[C@]1(c2ccc3c(c2)Cc2ccccc2-3)C(=O)N(Cl)C(=O)N1Cl 398853 INWNOVIDRQVIOP-KRWDZBQOSA-N 347.201 4.045 0 50 EIAA COc1ccc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 457211 CNWXJJQLXVFGJS-UHFFFAOYSA-N 343.386 4.262 0 50 EIAA CCOc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 474752 PSUJGUOYKSGDSG-LFYBBSHMSA-N 346.224 4.500 0 50 EIAA COC(=O)c1c(NC(=O)C2CCC2)sc2c1-c1ccccc1CC2 999701 QPERZLCDJRGLDD-UHFFFAOYSA-N 341.432 4.039 0 50 EIAA CCCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 2851682 FENAWNBONIWQHI-UHFFFAOYSA-N 336.435 4.408 0 50 EIAA CCOc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1 2876585 BUWQZKYTLWJJOZ-UHFFFAOYSA-N 340.383 4.058 0 50 EIAA O=C(CCCC(=O)NCCC1=CCCCC1)NCCC1=CCCCC1 4141388 DOLMFZRMGYJWOA-UHFFFAOYSA-N 346.515 4.170 0 50 EIAA CC1=C(C)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C(=O)O)C1 4893675 VDBPMDLICMFYOB-ZIAGYGMSSA-N 342.222 4.379 0 50 EIAA Cc1ccc(-c2c(C)nn3c(NCc4cccnc4)cc(C)nc23)cc1 5244068 HTFBQOOCCCCUIM-UHFFFAOYSA-N 343.434 4.329 0 50 EIAA CCCN1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 12199444 HOHWMPCMYYABCF-FQEVSTJZSA-N 338.451 4.175 0 50 EIAA Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 12836739 BCYFQBBGAIKEFU-CQSZACIVSA-N 348.393 4.055 0 50 EIAA CCOC(=O)C1(CC2CC2)CCN([C@H](C)Cc2ccc(F)cc2)CC1 19836663 XADKAGVPVNJLAP-MRXNPFEDSA-N 347.474 4.202 0 50 EIAA Nc1nc(NCc2ccccc2)nc(-c2cccc(Cl)c2Cl)n1 32558406 VYUZYSPOGYKLGE-UHFFFAOYSA-N 346.221 4.040 0 50 EIAA CC[C@@H](CO)N(Cc1ccsc1)C(=O)c1cccc(C)c1Cl 55132512 IQSUIXDYYOTRDC-AWEZNQCLSA-N 337.872 4.123 0 50 EIAA CC[C@H](C)C(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67883874 DYLBFULJBJKXQA-AWEZNQCLSA-N 339.435 4.135 0 50 EIAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cccc(O)c2C)C1 71767554 CXXCWSOGEWMWRC-GOSISDBHSA-N 337.463 4.494 0 50 EIAA CC(C)Cn1nccc1NC(=O)N1CCCCC[C@H]1c1ccco1 76937551 KTRRWTBFNOMKHT-HNNXBMFYSA-N 330.432 4.281 0 50 EIAA O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCC[C@H]1c1ccccn1 77428531 VFQFNVXSKXNGJJ-FQEVSTJZSA-N 347.393 4.260 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2cccc(C(C)=O)c2)c1 77469870 LPIFGAWYOGPYII-HXUWFJFHSA-N 337.419 4.265 0 50 EIAA Cc1ccc(C)c(C[S@](=O)Cc2csc([C@H]3CCCO3)n2)c1 134274293 UJMFSDMSAQSWCD-OPAMFIHVSA-N 335.494 4.060 0 50 EIAA Oc1nc([C@@H]2CCC(F)(F)C2)nc2sc3c(c12)CCCS3 241897257 TXCDIDRUBKAGLL-SSDOTTSWSA-N 328.409 4.338 0 50 EIAA c1ccc2c(c1)COCCN2Cc1csc(-c2ccsc2)n1 252487860 ICTXUJBEEKBAMU-UHFFFAOYSA-N 328.462 4.408 0 50 EIAA CC(C)c1nnc(CN2CCCC[C@@H]2c2nc3ccccc3o2)o1 328644444 GPKBXSVVLAGFDL-CQSZACIVSA-N 326.400 4.061 0 50 EIAA CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C(C)=O)o2)o1 331652876 RCODZFLEFPDTRJ-DOMZBBRYSA-N 329.396 4.251 0 50 EIAA CN(Cc1cc2ccccc2[nH]1)C(=O)c1cnn(C2CCCCC2)c1 1319062282 MWFPAGXFKYXCSI-UHFFFAOYSA-N 336.439 4.142 0 50 EIAA Cc1cccc(CN(C(=O)CCc2cn[nH]c2)C2CCCCC2)c1 1506401578 MYWMDTVVFQRANV-UHFFFAOYSA-N 325.456 4.012 0 50 EIAA Cc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc2cc3c(cc12)CCC3 1704311713 RKZNGPBHHLUDGC-QGZVFWFLSA-N 332.451 4.139 0 50 EIAA Cc1cc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)on1 1875329108 DXMGVRKYYDVQTE-RTBURBONSA-N 340.467 4.394 0 50 EIAA Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1 130157 JEAJQHPJGJWODN-UHFFFAOYSA-N 330.387 4.500 0 50 EIAA COc1cc(Br)c(CNc2cccc(C)c2)cc1OC 277054 ZLGAQYRLKFHBHC-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA O=C(NC(=S)Nc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 358840 DHWMOAIAKQCTOK-UHFFFAOYSA-N 348.427 4.186 0 50 EIAA CCCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCC2 2081570 VJOIRITXMNYBSO-UHFFFAOYSA-N 347.436 4.347 0 50 EIAA FC(F)(F)[C@H]1C[C@H](c2ccc(Br)cc2)Nc2ccnn21 2766708 CMGLKEOAMCPSQK-GHMZBOCLSA-N 346.150 4.306 0 50 EIAA Cc1cc(Nc2ccc(N3CCOCC3)cc2)c2cccc(C)c2n1 3953660 JNKURNCTFDOWSC-UHFFFAOYSA-N 333.435 4.432 0 50 EIAA CCOC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 4978046 TVFMBJYYWFCDRX-UHFFFAOYSA-N 339.435 4.254 0 50 EIAA O=C(C[C@H](c1cccc(O)c1)c1ccccc1Cl)N1CCCC1 12300860 SVVQUQPLYIDULK-QGZVFWFLSA-N 329.827 4.190 0 50 EIAA CC(=O)OCc1c(C)cc(C)c(CN[C@@H](C)c2ncccc2C)c1C 55036122 NNOMJVNROQFWHQ-KRWDZBQOSA-N 340.467 4.229 0 50 EIAA COc1ccc(-n2cccn2)c(CN2CCCC[C@H]2c2ccccn2)c1 72168637 IIPFFOSTCSZJHO-NRFANRHFSA-N 348.450 4.003 0 50 EIAA Cc1cccc([C@H](C)n2cc(-c3ccc(C)c4ncccc34)nn2)n1 91951678 NFXDFLVFOLHYLR-HNNXBMFYSA-N 329.407 4.114 0 50 EIAA COC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C 96136999 ITJSAKXQLVLIRP-CYBMUJFWSA-N 340.851 4.160 0 50 EIAA CCCc1nc(C)c(CNC(=O)Nc2ccc3scnc3c2)s1 96138629 SRDJDVARPGVATK-UHFFFAOYSA-N 346.481 4.335 0 50 EIAA CN1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccccc3)C[C@H]1CC2 100540419 HGGDJEQUDXEESF-NHCUHLMSSA-N 346.474 4.122 0 50 EIAA Cc1csc(CCCNC(=O)CCCc2c[nH]c3ccccc23)n1 102304651 KCJMUJOKYKHIOO-UHFFFAOYSA-N 341.480 4.005 0 50 EIAA O=C(CC1(O)CCCCC1)N1CCC[C@H]1c1nc2ccccc2s1 114163631 WWFKFVVBJBLVEG-HNNXBMFYSA-N 344.480 4.045 0 50 EIAA Cn1ccc2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c21 170606377 POUNTKWYFPGTNS-UHFFFAOYSA-N 332.325 4.378 0 50 EIAA Cc1cccn2cc(CNC(=O)[C@H]3C[C@@H]3c3ccc(C(C)C)cc3)nc12 170636893 BZNQECARXFWASC-UXHICEINSA-N 347.462 4.186 0 50 EIAA O=C(c1ccccc1)N1CCC(c2nc(C3CCCCC3)no2)CC1 174827068 KOEBVONITSGIJK-UHFFFAOYSA-N 339.439 4.137 0 50 EIAA C[C@@H](N[C@H](c1nccs1)C1CC1)c1ccc(Br)o1 192903577 LFNIXJMWPSWJLE-PELKAZGASA-N 327.247 4.301 0 50 EIAA COc1cccc([C@@H]2CCN2Cc2cc(CN3CCCC3)cs2)c1 215622245 JFRKWTFLSFEWMU-FQEVSTJZSA-N 342.508 4.300 0 50 EIAA CC(C)(C)c1cc(COC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)no1 225855491 BTFOPDJGCRJGCN-VXGBXAGGSA-N 335.350 4.097 0 50 EIAA C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](C(F)(F)F)C1 229169041 IPBPUCPVWHBYGT-NXEZZACHSA-N 331.363 4.133 0 50 EIAA Cc1ccc(Br)cc1OCCCN1CCC(C)CC1 230533392 ZZCLZWAYAQYBPT-UHFFFAOYSA-N 326.278 4.258 0 50 EIAA CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@H]3CCCC[C@@H]32)n1 239654175 BMUYXTMMALAHED-HIFRSBDPSA-N 335.879 4.438 0 50 EIAA c1ccc(CC[C@H]2CCCCN2Cc2cc(-c3ccncc3)no2)nc1 244882690 XWPWPRAKJOMCKV-LJQANCHMSA-N 348.450 4.119 0 50 EIAA O=C(c1cnc2ccccc2c1O)N1CCC[C@H]1/C=C/c1ccccc1 253630317 CDWQEWCPLRGHKS-UJGDBWEASA-N 344.414 4.258 0 50 EIAA O=C(Cc1cc2ccccc2c(O)n1)N[C@H]1CCCCC12CCCC2 333082838 MKNAZKCQFZNKBK-SFHVURJKSA-N 338.451 4.102 0 50 EIAA Cc1cc2ncn([C@@H](C)c3nc(-c4ccnn4C)cs3)c2cc1C 653472861 ADSBMIAKMWGOQK-ZDUSSCGKSA-N 337.452 4.119 0 50 EIAA CC(C)Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccco2)s1 827239751 ZNBHGGJZMCNZSC-UHFFFAOYSA-N 329.425 4.192 0 50 EIAA CC(C)(C)c1coc(CNC(=O)Nc2cc(C3(C)CCCC3)on2)n1 931131852 JWVIDVADIBXNAG-UHFFFAOYSA-N 346.431 4.114 0 50 EIAA Cc1nc2ccccc2n1CCC(=O)Nc1cnc2c(F)cccc2c1 1161623823 GUNVVHORDQTZOC-UHFFFAOYSA-N 348.381 4.061 0 50 EIAA Cc1ccc(-c2cc(C(=O)NCCC3=CC[C@H]4C[C@@H]3C4(C)C)n[nH]2)o1 1875341950 QCCAFZIAARFWON-GJZGRUSLSA-N 339.439 4.090 0 50 EIAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cocn2)CC1 2325895269 PBGJCWINXRSJJM-HDJSIYSDSA-N 330.453 4.275 0 50 EIAA Nc1c(C(=O)c2ccccc2)sc2nc(-c3cccnc3)ccc12 50534 YOOZRPHIVIXNJL-UHFFFAOYSA-N 331.400 4.172 0 50 EIAA Cc1nn(-c2ccccc2Br)c2c1C(=O)CC(C)(C)C2 111561 QZKVNWJOPNSWQX-UHFFFAOYSA-N 333.229 4.098 0 50 EIAA Cc1cc(C)cc(OCC(=O)OCc2cccc(Br)c2)c1 150003 PEFJZTLOGFKFAN-UHFFFAOYSA-N 349.224 4.188 0 50 EIAA Fc1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 238251 FXYOFFDZDHUKDQ-UHFFFAOYSA-N 338.348 4.167 0 50 EIAA CCOc1ccc(C)cc1NC(=O)c1ccc(Br)cc1 433301 UJKUOIYHCYBOMH-UHFFFAOYSA-N 334.213 4.409 0 50 EIAA C[C@H](NC(=O)CSc1nc(-c2ccccc2)c[nH]1)c1ccccc1 446360 DAOBRQIMNHBMOL-AWEZNQCLSA-N 337.448 4.046 0 50 EIAA O=C(c1ccc(Br)cc1)N1CC[C@H](c2ccccc2)C1 1192003 OLAPHVAMBPXOKK-HNNXBMFYSA-N 330.225 4.079 0 50 EIAA O[C@@H](CNC1CCCCC1)COc1ccc(-c2ccccc2)cc1 4279614 JJAAIENUQPAXII-FQEVSTJZSA-N 325.452 4.016 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccc(F)cc2)s1 9066534 JNPIHKJJIDGCPJ-UHFFFAOYSA-N 332.335 4.127 0 50 EIAA COCCCC1CCN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC1 11819041 WNNOQSNXEBEFEV-UHFFFAOYSA-N 341.499 4.332 0 50 EIAA Cc1ccccc1-n1c(S)nnc1CSCc1ccccc1 17067129 RJWWBQGNYDMJMS-UHFFFAOYSA-N 327.478 4.298 0 50 EIAA c1ccc(CN2CCN(CCCCSc3ccccc3)CC2)cc1 20482428 FDJAYAHDIVAVIH-UHFFFAOYSA-N 340.536 4.377 0 50 EIAA CC[C@@H](c1ccccc1)N(C)C(=O)c1cc(COc2ccccc2)[nH]n1 67804435 PIFSDRRDTPITQG-FQEVSTJZSA-N 349.434 4.212 0 50 EIAA Cc1cc(C(=O)Nc2ccc(-n3ccnc3-c3ccncc3)cc2)co1 72433590 QEXCDBPTKLOQDV-UHFFFAOYSA-N 344.374 4.088 0 50 EIAA CN(Cc1coc(-c2ccccc2)n1)Cc1cc(-c2cccnc2)no1 77565541 QPOMPANRLVWCSK-UHFFFAOYSA-N 346.390 4.024 0 50 EIAA CCCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 96026449 ULZPBJFEPSKMKF-HNNXBMFYSA-N 330.255 4.474 0 50 EIAA Cc1cc(C)c(NC(=O)N[C@@H](C)c2nc(C3CC3)no2)c(Cl)c1 96130346 OYDNATUZRGBFKZ-JTQLQIEISA-N 334.807 4.100 0 50 EIAA CC(C)(C)C[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(F)(F)F 184661749 MQDNHIOUCWYOGU-STQMWFEESA-N 346.397 4.013 0 50 EIAA CC(C)[C@@H]1COC(C(C)(Cc2ccccc2)C2=N[C@H](C(C)C)CO2)=N1 205954452 BBFBTUSLSAFMKW-ROUUACIJSA-N 342.483 4.142 0 50 EIAA CNC(=O)[C@H]1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)C1 216161543 YATDHYZBTICSOR-QFIPXVFZSA-N 344.458 4.075 0 50 EIAA O=C(NCCCCCO)c1cccc(-c2ccc(F)cc2Cl)c1 584886877 MRKFWRRRNXAABA-UHFFFAOYSA-N 335.806 4.039 0 50 EIAA O=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1O 669369923 PEWFBHHKKPSQDS-UHFFFAOYSA-N 334.371 4.363 0 50 EIAA Cc1ccc(N2Cc3cc(Br)ccc3O[C@@H](C)C2=O)cc1 1775972908 BXZAPVUGEFOYDG-LBPRGKRZSA-N 346.224 4.072 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)N(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875329705 DZRZMEYRZJGNGU-NEPJUHHUSA-N 343.393 4.134 0 50 EIAA CCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCCC1)C[C@H]3O 2084329480 OQRZJFDUFKIVTM-CQSZACIVSA-N 328.408 4.183 0 50 EIAA COc1ccc(C(=O)NCCC2=CCCCC2)cc1Br 142051 KWGRQYLAFQVFMB-UHFFFAOYSA-N 338.245 4.078 0 50 EIAA CC(=O)COc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 148008 OYARKJVACPTPDT-UHFFFAOYSA-N 338.359 4.170 0 50 EIAA Cc1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3O)nc2c1 267821 FLZFMDNVUITGLD-UHFFFAOYSA-N 345.358 4.156 0 50 EIAA COc1ccc(-c2noc(-c3ccc(C)cc3Cl)n2)cc1OC 458172 VLOWCGWDFQVFIX-UHFFFAOYSA-N 330.771 4.383 0 50 EIAA O=C(OCc1ccc(Br)cc1)c1ccccc1Cl 461040 CAMNWTDKXDPDKH-UHFFFAOYSA-N 325.589 4.460 0 50 EIAA Cc1cc(OCC(=O)Nc2cccc3ncccc23)ccc1Cl 556629 MYNUJZVIKMYYJS-UHFFFAOYSA-N 326.783 4.214 0 50 EIAA O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(C(F)(F)F)c1 612998 KZGUCZLFFMKZBV-UHFFFAOYSA-N 333.313 4.153 0 50 EIAA CCCN1CCC(NC(=S)Nc2cccc(Cl)c2Cl)CC1 5041888 OIFRAPNOHIHPIL-UHFFFAOYSA-N 346.327 4.154 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 7185156 TYEZZUGDWWDBJV-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA COc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1 12301837 ZOYCZHCTRUQZCE-LJQANCHMSA-N 338.451 4.029 0 50 EIAA C=Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(OC)cc3)C2)cc1 12439272 WYCGGUUPMYHUKJ-LJQANCHMSA-N 336.435 4.055 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cccs1 13002615 NDPOCTGNEOCIHB-UHFFFAOYSA-N 328.437 4.017 0 50 EIAA O[C@H](COc1ccccc1Cl)Cn1c(C2CC2)nc2ccccc21 16903137 BETAEDPCXMNEQH-AWEZNQCLSA-N 342.826 4.007 0 50 EIAA COc1ccccc1Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 18119552 LSMXTIRUEKAOPB-OAHLLOKOSA-N 345.402 4.142 0 50 EIAA Cc1ncsc1Cn1ccc(-c2cccc(-c3ccccn3)c2)n1 23581392 UHHYEUNYUWDAJX-UHFFFAOYSA-N 332.432 4.425 0 50 EIAA CCc1ncc2c(n1)CN(C(=O)c1cc(C)c(-c3ccccc3)s1)C2 67446595 VRKZCQZYDLUIHG-UHFFFAOYSA-N 349.459 4.232 0 50 EIAA O=C(N[C@@H](c1ccccc1)c1nccs1)C1CCC(F)(F)CC1 129740294 JLCFNZCUPMYEHX-AWEZNQCLSA-N 336.407 4.174 0 50 EIAA O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1OCCc2ccccc21 136453888 OTXGAABXSFNYPA-QGZVFWFLSA-N 336.416 4.063 0 50 EIAA O=C(O)c1cn(Cc2ccc(OC(F)(F)F)cc2)c2ccccc12 169676275 DNDNPWNVQJNHKD-UHFFFAOYSA-N 335.281 4.286 0 50 EIAA CCO[C@@H]1C[C@@H](Nc2nccc(C(F)(F)F)n2)C12CCCCC2 170639421 JODIFRYUSYKERB-CHWSQXEVSA-N 329.366 4.035 0 50 EIAA CC(C)OC(=O)O[C@H](C)Sc1ncnc2sc3c(c12)CCC3 170652032 XLMCRVQTDRZVIH-VIFPVBQESA-N 338.454 4.180 0 50 EIAA Cc1cccc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)n1 175422704 ORJWNUGCBAJOGX-FQEVSTJZSA-N 335.451 4.142 0 50 EIAA Cc1nnc([C@H](C)SCc2cccc(C(=O)OC(C)(C)C)c2)o1 192593832 MHQLHFYSXMJILS-NSHDSACASA-N 334.441 4.328 0 50 EIAA CCC[C@H](C)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 245264330 CTYCVTCPTXYFKF-UGSOOPFHSA-N 348.537 4.062 0 50 EIAA COC(=O)[C@@H](c1ccccc1Cl)N1CCC[C@H]1c1ccsc1 247835657 MFSRWAFJAJFPNV-JKSUJKDBSA-N 335.856 4.453 0 50 EIAA Cc1ccc(-c2nc(CN3CC[C@]4(CCCOC4)C3)cs2)cc1 792941794 XENQXUNBTSIPDW-LJQANCHMSA-N 328.481 4.121 0 50 EIAA Cc1cc(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc(C)n1 1353655828 WXWKLJXBBMHXLY-UHFFFAOYSA-N 334.423 4.260 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3C)C[C@@H]21 1704343596 KSVRQGNEPSOFTF-QIIPPGSGSA-N 336.863 4.053 0 50 EIAA CSCc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 1772491382 KVGCZKXILPMBDK-UHFFFAOYSA-N 331.253 4.023 0 50 EIAA Clc1ccc(-c2noc([C@H]3C[C@@H]4CC[C@H](C3)O4)n2)cc1Cl 1875305903 MAWLNPYDNNRMSK-RTCCRHLQSA-N 325.195 4.468 0 50 EIAA CC[C@H](c1cc(Cl)cc(Cl)c1)N(C)C(=O)/C=C/CN(C)C 1875376912 MRWJCXLMRLKHFH-LQYUOIDQSA-N 329.271 4.021 0 50 EIAA O=c1c(-c2cccs2)c(O)[nH]c2ccc(-c3ccccc3CO)cc12 2100539748 WPIICKFTMMSCJV-UHFFFAOYSA-N 349.411 4.122 0 50 EIAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1ccc2ccccn12 2356170918 UKPFGLYAFYJAAJ-HNNXBMFYSA-N 344.418 4.163 0 50 EIAA Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)c(C)c1 121767 WCQPKHGBALOEMA-UHFFFAOYSA-N 340.810 4.048 0 50 EIAA O=C(N[C@H](Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccccc1 390232 HYTCPXYITPLCKV-HXUWFJFHSA-N 341.414 4.277 0 50 EIAA CC[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(C)cc2)C1 2558503 QBNAEWMEEBSABJ-ZDUSSCGKSA-N 328.481 4.084 0 50 EIAA COCCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 2958259 KHSXYGBYBXQOBR-UHFFFAOYSA-N 349.883 4.399 0 50 EIAA CCc1ccccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 6697348 DAEJVJMJLJKYTL-UHFFFAOYSA-N 327.767 4.261 0 50 EIAA Cc1ccc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 12242734 UNDOBOJZSUKDKT-UHFFFAOYSA-N 346.430 4.157 0 50 EIAA Cc1ccc(C(=O)O)cc1NC(=O)Nc1ccccc1Br 13745448 IHALCHYOZOBJKZ-UHFFFAOYSA-N 349.184 4.100 0 50 EIAA C[C@H]1CCCCN1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 17072490 JSOFIFDVNUWEDR-ZDUSSCGKSA-N 348.903 4.156 0 50 EIAA CC(C)c1nn(C)c2nc(-c3ccc(OCc4ccccn4)cc3)[nH]c12 19595622 QLGUXRMQGCUWOW-UHFFFAOYSA-N 347.422 4.061 0 50 EIAA COc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1OC 19720719 AKDISEXALHOUGG-UHFFFAOYSA-N 339.357 4.055 0 50 EIAA Cc1cccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c1C 55292105 LWNCILVLGZOGDA-UHFFFAOYSA-N 332.850 4.418 0 50 EIAA Cc1cc(C(=O)N(C)[C@H](C)c2cncs2)c2ccc(C)c(C)c2n1 77299348 FKCKNAHNCSDVLW-CQSZACIVSA-N 339.464 4.450 0 50 EIAA CCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 91494370 IQOUMVXCXXPKLM-QFIPXVFZSA-N 349.522 4.173 0 50 EIAA CC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)c1cccs1 91504132 BMQWNGNWQNZSIB-CQSZACIVSA-N 341.436 4.028 0 50 EIAA COC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1cccc(C)c1 95100064 RWXQBJGTAXMBFH-UHFFFAOYSA-N 326.783 4.288 0 50 EIAA in-vitro O=C1C[C@@H](c2cccs2)c2ncn(-c3ccc(Cl)cc3)c2N1 95612553 AAZPEQMBLBEXHB-LBPRGKRZSA-N 329.812 4.061 0 50 EIAA Cc1nc(CSCC2CC2)n(Cc2c(F)cccc2Cl)n1 96160636 PCDQDJKCKUMFRS-UHFFFAOYSA-N 325.840 4.071 0 50 EIAA Fc1cncc(CSc2ncnc3sc4c(c23)CCCC4)c1 170597165 FBINGPHVJRXBHY-UHFFFAOYSA-N 331.441 4.397 0 50 EIAA CN(C)c1ccc(NC(=O)c2csc(Cl)n2)c(C(F)(F)F)c1 240278280 DPZYAZZPECPZEC-UHFFFAOYSA-N 349.765 4.134 0 50 EIAA CCOc1ccc([C@@H]2CCCN2CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 241942366 ULYLRUWNCIPQDB-HLIPFELVSA-N 344.499 4.012 0 50 EIAA Cc1ccc(C[C@@H](C)N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 244748648 OLRLMHLCUMQKRH-VYJXUSGSSA-N 327.512 4.235 0 50 EIAA Cc1nc(CC(C)C)c(NC(=O)N2CCCC[C@H]2c2cc[nH]n2)s1 287150567 PSGRIRPZUISUEC-HNNXBMFYSA-N 347.488 4.132 0 50 EIAA Cc1nc2ccccc2c(=O)n1N(Cc1ccccc1)c1ccccc1 585681224 BAMLLBOIWAPYDY-UHFFFAOYSA-N 341.414 4.175 0 50 EIAA Cc1cc2nc(N[C@@H](C)c3c(F)cncc3F)c3ccccc3n2n1 804839558 MSPFKJJLWJDELG-NSHDSACASA-N 339.349 4.037 0 50 EIAA Cc1cccc(SC2CCN(C(=O)Cc3ncccc3C)CC2)c1 1506403474 PHCKLHNYFQBOPQ-UHFFFAOYSA-N 340.492 4.024 0 50 EIAA O=C(c1sccc1Cl)N1CCC([C@@H](O)c2cccs2)CC1 1506431711 WIMIDTKPYICUMA-CYBMUJFWSA-N 341.885 4.049 0 50 EIAA C[C@@H](Nc1cc(C(=O)N2CCCCC2)ccn1)c1ccc(F)cc1F 1704348249 DWLNPUJHASVEEC-CYBMUJFWSA-N 345.393 4.159 0 50 EIAA CCC(CC)(CC)CNC(=O)c1ccc(Cl)c(N2CCCC2)n1 1875357322 BLOTXNNTNZVVBL-UHFFFAOYSA-N 337.895 4.281 0 50 EIAA Fc1ccc([C@@H](Cn2ccnc2)N[C@H]2CCCc3sccc32)cc1 2325745101 LZSJBJFYSUDAKN-ZWKOTPCHSA-N 341.455 4.492 0 50 EIAA CC(C)n1cc([C@@H]2C[C@@H]2c2nc([C@@H]3CCCC(F)(F)C3)no2)cn1 2325789769 LMPCGYLWSBLLQR-XBFCOCLRSA-N 336.386 4.411 0 50 EIAA CC[C@@H](CC(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1)C1CCC1 2325879813 IVEAETZFPGQZEE-HOCLYGCPSA-N 331.456 4.193 0 50 EIAA CC1(C)Cc2c(sc3ncnc(NCCc4ccccc4)c23)CO1 549305 TXZWAZIEDFZLJQ-UHFFFAOYSA-N 339.464 4.197 0 50 EIAA Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cs1 579623 AKCYRRQCBSUTRC-UHFFFAOYSA-N 348.424 4.058 0 50 EIAA O=Cc1ccc(OC(=O)c2ccccc2Cl)c(Br)c1 858904 VVOKVSFOQKTUIV-UHFFFAOYSA-N 339.572 4.134 0 50 EIAA Cc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1 2715811 MKYOELCFRXQNDD-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc12 4735813 DDJZFSLLOAFTIP-UHFFFAOYSA-N 343.404 4.053 0 50 EIAA Cc1csc(NC(=O)CSc2nc(-c3ccccc3)cs2)n1 4834922 WMOSZYGMMNIITG-UHFFFAOYSA-N 347.490 4.306 0 50 EIAA Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 4842854 BIJQDVYXAXORJS-INIZCTEOSA-N 336.435 4.262 0 50 EIAA CC(C)c1ccc(C(=O)CSc2nc(O)c3ccccc3n2)cc1 4920277 QMYSVSSVFIBNMS-UHFFFAOYSA-N 338.432 4.434 0 50 EIAA O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc(Cl)ccc2o1 8007071 FUPIZBQJZVCXAG-UHFFFAOYSA-N 329.739 4.110 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](Nc2ccccc2)C1 11938227 OOSYXCRTMIFMGB-SFHVURJKSA-N 347.418 4.058 0 50 EIAA Cc1ccc(NC(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cc1 14965654 MIVOPIIXYIWNJE-GOSISDBHSA-N 327.403 4.243 0 50 EIAA CN(C)CCN(Cc1ccccc1)Cc1ccccc1Br 19636306 KOGZOIZLAVLZMB-UHFFFAOYSA-N 347.300 4.013 0 50 EIAA Cc1cc([C@@H]2CCCN2Cc2nc(-c3cccs3)oc2C)no1 27889127 KQYDSFZRGBINOA-HNNXBMFYSA-N 329.425 4.345 0 50 EIAA COc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 35360464 OCCRAOGGTJCSKO-ZYSHUDEJSA-N 339.391 4.028 0 50 EIAA Clc1cccc2ccc(CN3CCc4[nH]cnc4[C@H]3C3CC3)nc12 71639743 HRMROKIBQQHMDR-LJQANCHMSA-N 338.842 4.121 0 50 EIAA c1coc(-c2ncc(-c3nccn3-c3cnc4ccccc4c3)cn2)c1 72150813 GORXWDPBWOYJCQ-UHFFFAOYSA-N 339.358 4.138 0 50 EIAA COc1ccc(-c2nn(-c3ccccc3)cc2-c2ncc[nH]2)c(F)c1 72479348 CTPNLMVJHDCTJJ-UHFFFAOYSA-N 334.354 4.077 0 50 EIAA Cc1cc2cccc(C(=O)N3CCN(Cc4ccccc4C)CC3)c2o1 77340392 NXMUAXUOSMQRRZ-UHFFFAOYSA-N 348.446 4.008 0 50 EIAA CC(C)(C)OC(=O)NC1(c2nc(-c3ccsc3)no2)CCCCC1 95449625 RBEDGGHWXHXTEK-UHFFFAOYSA-N 349.456 4.482 0 50 EIAA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc2cc(Cl)ccc2o1 159813591 KNTODLVXNHHCCR-CQSZACIVSA-N 333.815 4.308 0 50 EIAA Cc1ccccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622876 MXOOWJZCJPZHMB-UHFFFAOYSA-N 347.296 4.316 0 50 EIAA Cc1cc(CNC(=O)C[C@@H](Cc2ccccc2)c2ccco2)ccn1 223432766 HXOPBNASFGBCKV-LJQANCHMSA-N 334.419 4.016 0 50 EIAA COc1ccc(Br)c(CN2CCC[C@H]2c2cccn2C)c1 225533056 LAQPQZNEERIYLS-KRWDZBQOSA-N 349.272 4.133 0 50 EIAA COc1c(C)ccc(NC(=O)N2CCC(c3nccs3)CC2)c1C 242346899 ZKADBHFVLZRZMB-UHFFFAOYSA-N 345.468 4.180 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 245238632 XBSQQVJXPODPRW-AFNVMLQPSA-N 344.495 4.386 0 50 EIAA CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2ccccc21 249698293 VWSQRUYGMQXJDH-RRFJBIMHSA-N 345.512 4.089 0 50 EIAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@H]1c1ccccc1 276968447 QBZYPQYWBBEXBU-IPJJNNNSSA-N 333.431 4.091 0 50 EIAA COCCN(CC1CC1)C(=O)c1ccc(-c2cccc3cc[nH]c23)cc1 426510874 QSYCQJCWGSMHLT-UHFFFAOYSA-N 348.446 4.334 0 50 EIAA CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[nH]nc1-c1ccoc1)CC2 447607475 SJXXTCBYFJFTQQ-SFHVURJKSA-N 335.407 4.210 0 50 EIAA CCN(C)C(=O)c1cccc(N[C@@H](C)c2ccc(C(F)F)nc2)c1 658014087 KGQXQOUEUVDQCK-LBPRGKRZSA-N 333.382 4.284 0 50 EIAA CCn1nc(C)c2ccc3c4c(cc(C(=O)C(F)(F)F)c1c24)CC3 670417829 MUJCSOIATZKBLX-UHFFFAOYSA-N 332.325 4.361 0 50 EIAA COc1ccccc1-c1noc(-c2cc(-c3ccc(C)c(C)c3)[nH]n2)n1 904271194 TXTRSHKWNWWFPX-UHFFFAOYSA-N 346.390 4.419 0 50 EIAA Cc1noc([C@@H]2CCCO[C@H]2C2CCN(CCCC(C)(C)C)CC2)n1 931840091 UGMROHYYCLFSHK-MSOLQXFVSA-N 349.519 4.179 0 50 EIAA CSc1cccc(CN(C(=O)[C@H](O)c2cccc(F)c2)C(C)C)c1 1506398985 JISXEZRCXRMFEY-GOSISDBHSA-N 347.455 4.018 0 50 EIAA CN(c1ccccc1)c1cc(NCc2cc(F)ccc2F)ncn1 1875279407 BDEWIGWIWDYYRM-UHFFFAOYSA-N 326.350 4.135 0 50 EIAA Nc1cccc2c1N(C(=O)c1ccc(Oc3ccc(F)cc3)cc1)CC2 1875354905 SQMWRLAWRUOLRW-UHFFFAOYSA-N 348.377 4.403 0 50 EIAA CN1CCC[C@H](CN(C)C(=O)Nc2ccc(C3CC3)c(Cl)c2)C1 2325865290 WAWRFWFWPONGPH-ZDUSSCGKSA-N 335.879 4.023 0 50 EIAA Clc1cccc(CCNC2CCN(Cc3ccccc3)CC2)c1 227206 SCMAHPPFCLBIJG-UHFFFAOYSA-N 328.887 4.137 0 50 EIAA COc1cc(C)c(S(=O)(=O)Nc2ccccc2C)cc1C(C)C 1057050 OPWWQLKMWVXYAB-UHFFFAOYSA-N 333.453 4.236 0 50 EIAA CCCC[C@@H](CC)[C@@H]1NC(=O)N(SC(Cl)(Cl)Cl)C1=O 1759671 VOGJJBHRUDVEFM-SFYZADRCSA-N 347.695 4.099 0 50 EIAA in-man Cc1sc2[nH]c(SC/C=C/c3ccccc3)nc(=O)c2c1C 2665415 FSNZABANJAGDIX-RMKNXTFCSA-N 328.462 4.407 0 50 EIAA Cc1sc(NC(=O)CCCC(=O)O)nc1-c1ccc(C(C)C)cc1 2737957 UWQDOJRTUYLCNE-UHFFFAOYSA-N 346.452 4.435 0 50 EIAA O=c1c2ccccc2ncn1CCCOc1cc(Cl)ccc1Cl 2862812 WRUFEXCASKGIPB-UHFFFAOYSA-N 349.217 4.172 0 50 EIAA Cc1ccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1C 2872978 WSTIQBKMNPULCG-UHFFFAOYSA-N 325.452 4.410 0 50 EIAA Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 6714926 LPYPCBSVGRKSCX-UHFFFAOYSA-N 347.821 4.142 0 50 EIAA c1ccc(N[C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)cc1 12307170 UKKIWYLMHUAJLL-FQEVSTJZSA-N 332.451 4.153 0 50 EIAA CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(Cc3ccon3)C2)cc1 13594986 DUOVSWSCNLLFBM-MRXNPFEDSA-N 326.440 4.067 0 50 EIAA COCc1ccc(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)o1 15076162 OYLMSOZYPOBJJL-GOSISDBHSA-N 328.456 4.119 0 50 EIAA CCC(=O)N(c1ccccc1)C1CCN(Cc2cccs2)CC1 22066941 JSOSWRYHPGIWGT-UHFFFAOYSA-N 328.481 4.156 0 50 EIAA in-vitro Cc1ccc(CN2C[C@H](c3nc(-c4ccccc4F)c[nH]3)CC2=O)cc1 23478579 UHAHLJLSNGSNBQ-MRXNPFEDSA-N 349.409 4.040 0 50 EIAA Cc1c([C@@H]2CC(=O)Nc3c2c(C2CC2)nn3C)sc2ccccc12 65526257 TUTOGDBSMDVCLH-CYBMUJFWSA-N 337.448 4.295 0 50 EIAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 95497168 JDOZPXCHPONKRZ-CYBMUJFWSA-N 349.837 4.276 0 50 EIAA Cn1ccnc1C[C@@H]1CCCN(Cc2csc3ccccc23)C1 131400795 OMPZNDAWRFXOFJ-HNNXBMFYSA-N 325.481 4.090 0 50 EIAA CCc1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)cc1 132068809 MOJFVLQGUNSNQH-CYBMUJFWSA-N 327.409 4.274 0 50 EIAA COc1ccc(Cl)c(NC(=O)c2cncnc2-c2ccccc2)c1 253427628 WRDBWWMXWRNZGZ-UHFFFAOYSA-N 339.782 4.058 0 50 EIAA Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 329498440 FKPOFNQXPDRTNG-BBRMVZONSA-N 341.455 4.332 0 50 EIAA CC(C)(CNC(=O)N1CCC(c2ccon2)CC1)C1=CCCCC1 661037162 PTJVAJLQQRUQTB-UHFFFAOYSA-N 331.460 4.090 0 50 EIAA CCCSCc1nnc2sc([C@H](CC)c3ccccc3)nn12 1775972283 RPYUTSZEXJVCAB-CYBMUJFWSA-N 332.498 4.371 0 50 EIAA C[C@@]12CC[C@@](C(=O)Nc3ccc(COC4CCCC4)cc3)(CO1)C2 2325776413 KHIQNZDGWWCDNF-PMACEKPBSA-N 329.440 4.044 0 50 EIAA COc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1 421887 ZJXROSJPRFWNRE-UHFFFAOYSA-N 340.404 4.029 0 50 EIAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccco1 444599 FWYFNDMVEHUCHN-CMDGGOBGSA-N 345.358 4.443 0 50 EIAA Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 455761 CYJDRUUFQGGBOA-DHZHZOJOSA-N 330.840 4.175 0 50 EIAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2Br)c1 461966 MFBZTGYQYXUTBT-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CCS(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 475312 BHDVRHUHLIHXIK-UHFFFAOYSA-N 332.450 4.033 0 50 EIAA Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1 614184 UFPJXDITXAXWHI-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA O=c1c(CN2CCC(Cc3ccccc3)CC2)coc2ccccc12 3684202 WZWRAAKVOATXPL-UHFFFAOYSA-N 333.431 4.248 0 50 EIAA in-vivo C[C@@H](NC(=O)C1CCCCC1)c1nc(-c2ccccc2Cl)no1 4998088 XBYXUBHKYICDDJ-LLVKDONJSA-N 333.819 4.148 0 50 EIAA CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 6316500 MAXIWHPOOFJNFX-UHFFFAOYSA-N 327.808 4.403 0 50 EIAA O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccccc1 11612159 KDZJYRWSHUHJAB-UHFFFAOYSA-N 340.386 4.187 0 50 EIAA Cc1ccc([C@H](C)CCN(C)Cc2cc(-c3ccccn3)no2)o1 97532833 SANAOGHYEPKGAR-CQSZACIVSA-N 325.412 4.264 0 50 EIAA Cc1noc(C)c1-c1csc(-c2ccc(N3CCCC3)nc2)n1 187008209 WWWDBFYERNESNS-UHFFFAOYSA-N 326.425 4.077 0 50 EIAA Cc1ccc(CN(C)C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)nc1 252500205 SPBSOOAFNYWHPT-FQEVSTJZSA-N 337.467 4.342 0 50 EIAA CCn1cnc2c(NC(c3cccs3)c3cccs3)ncnc21 361000235 VQOGRMMZVAYTMF-UHFFFAOYSA-N 341.465 4.171 0 50 EIAA CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2ccccc2C(N)=O)cc1 426372529 VPNZFGFYUVDWTM-SFHVURJKSA-N 348.446 4.023 0 50 EIAA Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)n1C(F)F 426523719 SZCHCYRIZNAYNB-OAHLLOKOSA-N 332.394 4.457 0 50 EIAA Cc1cc(NC(=O)N(Cc2ccoc2)C2CC2)nn1C1CCCCC1 931490039 YPODYSGMQPLEJY-UHFFFAOYSA-N 342.443 4.486 0 50 EIAA C[C@@H](NC1CCN(c2ccncc2)CC1)c1cc(-c2ccccc2)no1 2325774061 ZVTBSPBHPLEBKK-MRXNPFEDSA-N 348.450 4.056 0 50 EIAA O=C(CSc1nc2ccccc2s1)Nc1ccc(F)c(F)c1 236800 LIYJYFNACOXDOE-UHFFFAOYSA-N 336.388 4.305 0 50 EIAA CC1(C)C[C@@H]([C@@H](CC(=O)Nc2nccs2)c2ccccc2)CCO1 550244 BIGDMJGRSNELTA-HOTGVXAUSA-N 344.480 4.461 0 50 EIAA CCc1ccc2oc(C(=O)Nc3nnc(SC)s3)c(C)c2c1 615672 FGHWLIRNRXUXKI-UHFFFAOYSA-N 333.438 4.129 0 50 EIAA O=C(O)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1196796 CHESMAWXYAHBBH-UHFFFAOYSA-N 343.180 4.000 0 50 EIAA O=C1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 2508540 AYQIJHRKAZYGGX-UHFFFAOYSA-N 339.700 4.088 0 50 EIAA Oc1ccccc1-c1nc(/C=C/c2ccc(Br)cc2)n[nH]1 4199762 YTXGMWJOVHBVPJ-JXMROGBWSA-N 342.196 4.110 0 50 EIAA O=C(Nc1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1 5440617 QYCLTGOAOMNMOZ-UHFFFAOYSA-N 329.787 4.111 0 50 EIAA C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl 6787881 YWAPWTMIBYCKAR-JTQLQIEISA-N 330.236 4.033 0 50 EIAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1 10773363 AUAPAEJKMRJKGI-UHFFFAOYSA-N 330.815 4.074 0 50 EIAA Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)c1C 11817264 NEFQKOSNYTYFDP-LJQANCHMSA-N 332.451 4.051 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)N[C@@H](C)Cc3cccnc3)c(C)c2c1 11817681 NEJWRRSWYRPQPR-LBPRGKRZSA-N 342.826 4.459 0 50 EIAA COc1cc(NC(=O)N2CCC[C@@H]2c2cccs2)cc(OC)c1 15837668 RCOVKKCSLIQUTD-OAHLLOKOSA-N 332.425 4.134 0 50 EIAA Cc1ccsc1CN(Cc1cccn1-c1ncccn1)CC(C)C 55228085 LYCRZWVOFZONJY-UHFFFAOYSA-N 340.496 4.295 0 50 EIAA Cc1nc(-c2ccccc2)oc1C(=O)N(CC1CC1)c1cccnc1 135571062 AFSNYAUAGHWJJS-UHFFFAOYSA-N 333.391 4.102 0 50 EIAA c1ccc(-c2noc(-c3cncnc3NCC3CCCCC3)n2)cc1 169775677 FAWATZNVVJKVIR-UHFFFAOYSA-N 335.411 4.186 0 50 EIAA O=C(C[C@H]1OCCc2ccsc21)NCc1ccc2ccccc2c1 170621035 BRUHFJOZLUEMPG-GOSISDBHSA-N 337.444 4.222 0 50 EIAA C[C@@H](C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1ccccc1 182572632 AZQLDDNVMREYFE-CYBMUJFWSA-N 332.407 4.091 0 50 EIAA COC(=O)CC1(CN2CCc3sccc3[C@H]2c2cccs2)CC1 225636013 GIHBHPMLDRUYDI-KRWDZBQOSA-N 347.505 4.100 0 50 EIAA Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1CCc2c(Cl)cccc21 241588422 PDBCHDVUZPLZLG-OAHLLOKOSA-N 332.831 4.026 0 50 EIAA Cc1ccc([C@@H](C)NC(=O)c2cnn(CCC(C)C)c2C(C)C)o1 252492322 MISUSMVDVANBOE-OAHLLOKOSA-N 331.460 4.445 0 50 EIAA C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 253501319 XBSQQVJXPODPRW-OMZVWVDZSA-N 344.495 4.386 0 50 EIAA Cc1nc(-c2ccccc2)sc1[C@H](C)NC1CCC(C(=O)O)CC1 263433689 SZEIBNVCKDJNSM-JQRITLKVSA-N 344.480 4.413 0 50 EIAA c1cnc(-n2cccn2)c(-c2noc([C@@H]3C[C@@H]3C3CCCCC3)n2)c1 329501910 AIFAKMZHNCHTNX-HZPDHXFCSA-N 335.411 4.001 0 50 EIAA O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)N1CCCCCCC1 426643094 ZTPIACYWUVHFHD-IBGZPJMESA-N 341.430 4.286 0 50 EIAA Cc1ccc(C)c(CC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 590221930 FEPJPVBLFORZDH-FQEVSTJZSA-N 339.435 4.042 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)C[C@H](C(C)C)O1 1857737727 ZZCHGNSVHDKILK-QZTJIDSGSA-N 334.504 4.299 0 50 EIAA O=C(N[C@@H]1CCCC2(C1)N=N2)c1cncc(-c2ccc(Cl)cc2)c1 1875296959 WLEJUARRJMGETC-MRXNPFEDSA-N 340.814 4.237 0 50 EIAA CCCCc1ccc(NC(=O)N2CCC[C@@H](n3cccn3)C2)cc1 2325703860 ABTMAMQLCLNWOX-GOSISDBHSA-N 326.444 4.095 0 50 EIAA Cc1ccccc1CC1CN(Cc2cnc(-c3cccnc3)s2)C1 2325751557 GQFCZFLLGWJPFV-UHFFFAOYSA-N 335.476 4.188 0 50 EIAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(C(C)C)cc3)C1)CC2 2356157373 HXEXUAJENDMSGK-JOCHJYFZSA-N 349.478 4.029 0 50 EIAA Cc1cccc(OCc2nc(-c3ccc(Br)cc3)no2)c1 78741 HCTDFGIJRGSLLB-UHFFFAOYSA-N 345.196 4.387 0 50 EIAA Cc1ccc(S(=O)(=O)N[C@H](C)C2C3CC4CC(C3)CC2C4)c(C)c1 189735 PXHJUOMTAWEPRU-UABJAZSOSA-N 347.524 4.043 0 50 EIAA Cc1nc(CSc2nnc3c(C)cc4ccccc4n23)cs1 211004 SJRSCKLRUSONLS-UHFFFAOYSA-N 326.450 4.248 0 50 EIAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)cc(Cl)c1 433857 NXCZHRHHSGEXPA-DUXPYHPUSA-N 336.174 4.374 0 50 EIAA COc1cc(NC(=O)c2cccc(Br)c2)ccc1Cl 476663 JDGYWRZFPIOINU-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA Brc1c(OCCCN2CCCC2)ccc2ccccc12 3461385 VOFZETVWJYZHNR-UHFFFAOYSA-N 334.257 4.467 0 50 EIAA CCOC(=O)C1CCN(c2cc(C)c3cc(SC)ccc3n2)CC1 4997161 ZZXONWWMNSLRJM-UHFFFAOYSA-N 344.480 4.045 0 50 EIAA Cc1ccc(NC(=O)CSc2c(F)c(F)c(F)c(F)c2F)cc1 6233893 LRYQJPMLSKMNFZ-UHFFFAOYSA-N 347.308 4.421 0 50 EIAA CCCN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 11817411 PREMIGFXQTXXKZ-GOSISDBHSA-N 339.439 4.077 0 50 EIAA CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 22912982 QPSKFCOVMSTLNG-MRXNPFEDSA-N 349.931 4.283 0 50 EIAA CC1(C)Cc2cc(-c3nnc4c(C(F)(F)F)cccn34)ccc2O1 32540708 OCXWKFJPDIYOST-UHFFFAOYSA-N 333.313 4.129 0 50 EIAA COc1ccc(CN2CC[C@H](c3ccccc3Cl)C2)cc1C(=O)O 67966973 XAINJXWWNRNNIK-AWEZNQCLSA-N 345.826 4.036 0 50 EIAA Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](C(F)(F)F)C1 71589653 XCSODRGXPIQQLI-KRWDZBQOSA-N 349.352 4.065 0 50 EIAA Cc1ccc(Cl)c(CN2CCC[C@@H](Cn3ccnc3C)C2)c1F 72130956 JYQRFUBFLDZYNL-OAHLLOKOSA-N 335.854 4.205 0 50 EIAA CC(=O)C1(c2ccccc2)CCN(Cc2ccc(F)cc2F)CC1 72163567 XWARWFPWNBUXHG-UHFFFAOYSA-N 329.390 4.088 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)CCCOc2ccccc2)c(C)s1 91987324 ZMVQYFJQYXVJMS-CYBMUJFWSA-N 332.469 4.139 0 50 EIAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CC[C@H]1c1ccc(F)cc1 92062101 GOVFMOYOYRJCFF-SFHVURJKSA-N 340.373 4.271 0 50 EIAA Cc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3ccccc3)n2C)n1 119238575 FKQZCXGXKUIXPA-HXUWFJFHSA-N 345.446 4.373 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1C(=O)CCN1CCc2ccccc2C1 170597811 BOLDPZYHKDUMPI-QFIPXVFZSA-N 348.490 4.107 0 50 EIAA CCNCc1ccccc1NC(=O)c1ccnc(Oc2ccccc2)c1 170676465 GNSBYJMHCQCTCY-UHFFFAOYSA-N 347.418 4.236 0 50 EIAA C[C@@H](Sc1nncn1-c1ccccc1)c1ncc(C(C)(C)C)o1 177170215 HUXDAJANNZSPLE-GFCCVEGCSA-N 328.441 4.406 0 50 EIAA O=C(CC(F)(F)F)N1CCC(Sc2ccc(Cl)cc2)CC1 179028253 IZCZZGVYOVOCMG-UHFFFAOYSA-N 337.794 4.376 0 50 EIAA CC[C@H](NC(=O)NC1CCN(C(C)(C)C)CC1)c1ccc(C)cc1 193849887 XVEKJVRLBBUAES-SFHVURJKSA-N 331.504 4.008 0 50 EIAA CO[C@@H]1CCCCC[C@H]1NC(=O)c1cccc(Oc2nccs2)c1 225453897 SHMPGOQNHITHRM-HZPDHXFCSA-N 346.452 4.013 0 50 EIAA Cc1ccc2c(CCNC(=O)N(C)c3ccc(F)cc3)c[nH]c2c1 241132968 JNQMTTXYNRIJEY-UHFFFAOYSA-N 325.387 4.004 0 50 EIAA C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 252444130 AFTCZMDVYJXYRJ-CJNGLKHVSA-N 348.899 4.243 0 50 EIAA COCc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 252487480 HWPUKDLKAACBFZ-UHFFFAOYSA-N 336.391 4.059 0 50 EIAA Cn1cc(C(=O)Nc2cnc3ccccc3c2)c(C2CCCCC2)n1 263703408 FDKTZBPLZOWDNN-UHFFFAOYSA-N 334.423 4.268 0 50 EIAA CC(C)(C)OC(=O)Nc1nc2c(Br)cccc2s1 306433088 VSHNMMQBTXSHJO-UHFFFAOYSA-N 329.219 4.406 0 50 EIAA CN(C(=O)c1ccncc1C(F)(F)F)C1CC(c2ccccc2)C1 408516455 GWMXPHOVSHEZTK-UHFFFAOYSA-N 334.341 4.119 0 50 EIAA Cn1c(C(=O)N[C@@H]2COC3(CCCCC3)C2)cc2cccc(Cl)c21 426574674 GEMFVYSJEQFSBQ-AWEZNQCLSA-N 346.858 4.053 0 50 EIAA Cc1cc2ncn([C@H](C)c3nc(-c4ccnn4C)cs3)c2cc1C 653472860 ADSBMIAKMWGOQK-CYBMUJFWSA-N 337.452 4.119 0 50 EIAA CCCc1nc(C)c(CNC(=O)[C@@]2(c3cccs3)CC2(C)C)s1 823015167 IZMWNRZZJVDUHC-SFHVURJKSA-N 348.537 4.450 0 50 EIAA COc1cc(Cl)cc2c1O[C@@H](C)C(=O)N(c1cccc(F)c1C)C2 824557993 VPSWRMZQWIZAPI-NSHDSACASA-N 349.789 4.110 0 50 EIAA Cc1ncsc1CN(Cc1ccccc1)C(=O)NC1CCCCC1 827891097 RUFLJATXZNTFML-UHFFFAOYSA-N 343.496 4.496 0 50 EIAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)CSC(C)C)c1 952970074 LFWZUWIEASJCAI-UHFFFAOYSA-N 334.485 4.204 0 50 EIAA C[C@@H]1CCN(C(=O)[C@H]2C[C@@]2(F)c2ccccc2)c2c(O)cccc21 1447356707 DSZORXKEUBBECI-OWDMVUQNSA-N 325.383 4.117 0 50 EIAA CC(C)SCc1nnc2sc(-c3cc4ccccc4o3)nn12 1775972067 CMWBDTSCEFRAFE-UHFFFAOYSA-N 330.438 4.241 0 50 EIAA O=C(COc1ccc(Cl)c(F)c1)O[C@H]1CCC[C@H]1c1cccnc1 2325717015 DLANKNPNJDAJSA-YOEHRIQHSA-N 349.789 4.132 0 50 EIAA CC(C)(C)Cc1cc(=NC(=O)c2c(Cl)csc2Cl)[nH]o1 2325804742 NMVGGNMGIIGCLQ-UHFFFAOYSA-N 333.240 4.306 0 50 EIAA FC(F)(F)c1ccc2nc(C3(c4ccccc4)CCNCC3)cn2c1 2356159064 KDBPCRLLDVIWBA-UHFFFAOYSA-N 345.368 4.023 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 179658 RWZNOZGZCSAFGT-UHFFFAOYSA-N 330.387 4.500 0 50 EIAA COc1ccc2c(c1)-c1nc(NC(=O)c3cccs3)sc1CC2 200005 HCEJYOCZRGKHPM-UHFFFAOYSA-N 342.445 4.231 0 50 EIAA aggregator O=C(Nc1nc2ccccc2s1)c1cccc(Br)c1 253225 HNSMZZRBTBEMOV-UHFFFAOYSA-N 333.210 4.311 0 50 EIAA Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C 315677 BGAFPBJDNFBZGT-UHFFFAOYSA-N 329.343 4.123 0 50 EIAA COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 363122 IFAQKAUKTIZDFF-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 2499083 NYVXBAIZBBHLKO-CYBMUJFWSA-N 345.826 4.456 0 50 EIAA COc1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2)cc1 2984023 MOYKQSLQEPQMSN-UHFFFAOYSA-N 344.451 4.467 0 50 EIAA Cc1c(Sc2ccc(Cl)cc2)c(=O)[nH]c2cc3c(cc12)OCO3 3640998 GRVVFARKLHOKLS-UHFFFAOYSA-N 345.807 4.370 0 50 EIAA O=C(/C=C/c1ccccc1F)Nc1nnc(-c2cccs2)s1 6322776 JYAYSTFSCPGFGQ-BQYQJAHWSA-N 331.397 4.058 0 50 EIAA COc1cccc(NC(=O)Nc2nnc(-c3ccccc3C)s2)c1 8770694 RLGRQEKPXAAXFM-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)cc1C 11879872 MOLJMXAXTIBCCY-ZDUSSCGKSA-N 341.411 4.148 0 50 EIAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)C2=CCCCC2)C1 12298332 DXOFPPWEPPKYAE-MRXNPFEDSA-N 331.843 4.262 0 50 EIAA CC(=O)N(C)c1ccc(NC(=S)Nc2ccccc2Cl)cc1 13813631 YUTJZQDOEBQABB-UHFFFAOYSA-N 333.844 4.132 0 50 EIAA O[C@](CNCc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 19205325 BZQIGMCVUWHUJG-OAQYLSRUSA-N 337.850 4.366 0 50 EIAA Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4[nH]ccc4c3)c12 61722043 VZSKOUHVCFOIKI-UHFFFAOYSA-N 347.422 4.134 0 50 EIAA CC(C)Cc1nc(CC(F)(F)F)n(-c2cccc3cccnc23)n1 65370892 ICXZNDGLYBFZRO-UHFFFAOYSA-N 334.345 4.119 0 50 EIAA COc1ccc(CCCC(=O)N(C)Cc2cccc3ncccc23)cc1 77517429 DOXNKCFIAQMUNT-UHFFFAOYSA-N 348.446 4.225 0 50 EIAA CC(C)CN1CCCC(C(=O)O)=Cc2cc(Br)ccc21 148419781 CQDQTZJHBGXURW-UHFFFAOYSA-N 338.245 4.173 0 50 EIAA CNc1nnc(SCc2ncc(-c3cccc(Cl)c3)o2)s1 195095757 LDGBCNBGGPVBAT-UHFFFAOYSA-N 338.845 4.181 0 50 EIAA COc1cccc(-c2cccc(C(=O)N(C)[C@H](C)c3ccon3)c2)c1 214994818 OUYJWTRBEQRISP-CQSZACIVSA-N 336.391 4.183 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CCOCC2)CC1 220173225 GWZFUCPXBDNJOY-UHFFFAOYSA-N 335.447 4.386 0 50 EIAA CC(C)[C@@H](NCc1ccc(Br)o1)c1nc2ccccc2[nH]1 236734726 ZJCZGFHYZCFOBV-OAHLLOKOSA-N 348.244 4.405 0 50 EIAA Cc1ccc(C)c(SCc2cccc(C(=O)NCCCCN)c2)c1 237660663 YJLUOTMFDUZEMD-UHFFFAOYSA-N 342.508 4.064 0 50 EIAA CC[C@@H](NC(=O)N1CCCC[C@@H]1c1nccn1CC)c1cccs1 239637132 BJADIHHUXHXIOK-HUUCEWRRSA-N 346.500 4.352 0 50 EIAA Cc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc(C(F)(F)F)c1 252509340 YLPFPQSJIHGEFG-UHFFFAOYSA-N 348.324 4.151 0 50 EIAA CC(C)c1ccoc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 253415300 DNOZQMZXYLBKDN-UHFFFAOYSA-N 346.814 4.201 0 50 EIAA Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N3CCC3=O)cc2)c1 253426521 HHUCYDCDTDTMMF-LJQANCHMSA-N 349.434 4.101 0 50 EIAA CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499606 LGGHTNIMFTVTOB-ITDJWYBXSA-N 345.527 4.061 0 50 EIAA biogenic CCc1nnc(-c2cccc(NC(=O)N[C@@H](C)C3=CCCCC3)c2)[nH]1 299771393 WFZKQFDDTWVCMD-ZDUSSCGKSA-N 339.443 4.045 0 50 EIAA CCCN(Cc1ccccn1)C(=O)[C@@H](C)Sc1ccc(C)cc1 952985773 DUBBUIXIVVHPJL-MRXNPFEDSA-N 328.481 4.309 0 50 EIAA Cc1onc(-c2cccs2)c1C(=O)Nc1cnn([C@H](C)C2CC2)c1 1335876782 JQJNPGVEUMTQQP-SNVBAGLBSA-N 342.424 4.131 0 50 EIAA CN(Cc1cc(-c2ccccn2)no1)c1nc(-c2ccccc2)cs1 1529098493 GVGRPIWRNYIXBO-UHFFFAOYSA-N 348.431 4.497 0 50 EIAA COc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)cc1 1775971234 LFHKMPUCWQCLSV-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA O=C([C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21)N1CCC[C@H]1c1ncc(-c2ccccc2)[nH]1 1775985414 SHWIZSUZPHWCJO-FGCARQOMSA-N 347.462 4.032 0 50 EIAA C=CC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 1875383792 DZELAGUPZLFERW-OAHLLOKOSA-N 340.732 4.145 0 50 EIAA CC(=O)c1cc(F)ccc1N1CCC[C@@H](c2cccc(O)c2F)C1 2325817648 JGNPLEIPYGRIAD-CYBMUJFWSA-N 331.362 4.257 0 50 EIAA C[C@@H](N)c1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cs1 2325828229 BMHACSGVNUSARR-MEBBXXQBSA-N 349.887 4.087 0 50 EIAA Cc1ccc(NC(=O)CCCCCNC(C)(C)C)c2cccnc12 2325839891 IBYXDYLVTBVVGD-UHFFFAOYSA-N 327.472 4.430 0 50 EIAA CC(=O)c1cc(C2CCCCC2)ccc1OC[C@H](O)CNC(C)(C)C 155482 YDNFNBFOFLARHO-GOSISDBHSA-N 347.499 4.065 0 50 EIAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 214517 QTCXPIHNELNGIN-CYBMUJFWSA-N 343.298 4.074 0 50 EIAA Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)ccc1Br 456012 SYVCWJGAIOPKAV-LBPRGKRZSA-N 334.213 4.164 0 50 EIAA COc1cccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1 572093 SDOAZRZMQWJIEF-UHFFFAOYSA-N 339.174 4.042 0 50 EIAA CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc(Br)cc1 613542 IFXKRMGARRVMNT-OAHLLOKOSA-N 347.212 4.048 0 50 EIAA O=C1c2ccccc2C(=O)N1CC[C@H](c1ccccc1)c1ccco1 2845934 YPKZONTUWJSOQS-MRXNPFEDSA-N 331.371 4.098 0 50 EIAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 3958660 IYEIFZYXFMBFOB-UHFFFAOYSA-N 332.133 4.289 0 50 EIAA CCCCC/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\CCCC(=O)O 4655420 LRPPQRCHCPFBPE-MFYAFOOZSA-N 338.488 4.382 0 50 EIAA endogenous,in-man COc1cc(OC)c(NC(=O)N2CC=Nc3ccccc32)cc1Cl 4759202 SNSTYQXDBGWIFX-UHFFFAOYSA-N 345.786 4.112 0 50 EIAA Cc1ccc(-c2nc(N3C(=O)c4ccccc4C3=O)sc2C)cc1 4820324 BSQPOZYNTGSLCR-UHFFFAOYSA-N 334.400 4.228 0 50 EIAA CCOc1cc(CNCc2cccs2)cc(Cl)c1OCC 5019265 AWHWPSKYLWKFMQ-UHFFFAOYSA-N 325.861 4.489 0 50 EIAA N=c1oc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 5125380 ZZQUIBPMWWZJIX-UHFFFAOYSA-N 332.281 4.183 0 50 EIAA CC(C)c1ccc(O[C@H](C)c2nnc(SC(=O)C3CC3)n2C)cc1 6390424 GEZCPTDVTSQFLF-GFCCVEGCSA-N 345.468 4.107 0 50 EIAA Cc1ccc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c2c1 6705488 RVIIOVOADDWYQC-UHFFFAOYSA-N 331.828 4.256 0 50 EIAA Cc1cccnc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1Cl 13326263 QSIDFVCGZXCWBC-UHFFFAOYSA-N 339.222 4.493 0 50 EIAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 14632596 ZWLSFMKIYINIHZ-QGZVFWFLSA-N 341.407 4.394 0 50 EIAA in-vitro CCOC(=O)[C@@H]1CCCN(c2cc(C)c3cc(SC)ccc3n2)C1 23634748 YPASYGZUCOLYIW-CQSZACIVSA-N 344.480 4.045 0 50 EIAA O=C(Nc1nccs1)c1cc(-c2ccncc2)nc2ccccc12 37868933 IGDPWVZLHXFMNY-UHFFFAOYSA-N 332.388 4.006 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccccc2CN2CCC(C)(C)C2)n1 48209666 FPPDXPGDOUXUOD-UHFFFAOYSA-N 339.483 4.011 0 50 EIAA COCCN(C/C=C/c1ccccc1)Cc1ccc(O)c(Cl)c1 55090844 ZSTPWSKQGHOAHE-VMPITWQZSA-N 331.843 4.207 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)c1nc2c(s1)CCCC2 91726108 OUQYFZYYAHQJBW-NSHDSACASA-N 349.525 4.401 0 50 EIAA CC(C)n1cc2cc(NC(=O)c3ccncc3C(F)(F)F)ccc2n1 241719894 QQOLUZPDUOYESX-UHFFFAOYSA-N 348.328 4.283 0 50 EIAA CO[C@]1(C)CCCN(C(=O)Nc2sc(C)nc2CC(C)C)CC1 253428358 AEETUUKCCDQHQP-QGZVFWFLSA-N 339.505 4.073 0 50 EIAA Cc1noc(C)c1C(C)(C)C(=O)N1Cc2ccccc2C2(CCC2)C1 376037710 FJPBPZHJGJQRGS-UHFFFAOYSA-N 338.451 4.033 0 50 EIAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1ccccc1 952968434 GRCRRQLEZLUACP-OAQYLSRUSA-N 346.430 4.208 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccc(CC(C)C)cc1)C2 1704335995 FGMYPOZUFQZOCY-CTNGQTDRSA-N 329.484 4.306 0 50 EIAA Cc1cccc(NCCNCc2cccc(Cl)c2C(F)(F)F)n1 1875344768 MDPUDFACVRIRIQ-UHFFFAOYSA-N 343.780 4.264 0 50 EIAA Cc1ccc(NC(=O)c2ccccc2N)c(C(=O)c2ccccc2)c1 45085 MDJWGGDYBHJRSO-UHFFFAOYSA-N 330.387 4.061 0 50 EIAA O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1cccnc1 150945 XEOJJCJRRHRQID-UHFFFAOYSA-N 343.338 4.074 0 50 EIAA biogenic O=c1c(CN2CCC3(C=Cc4ccccc43)CC2)coc2ccccc12 217225 MNUWAFZQFOMHFD-UHFFFAOYSA-N 343.426 4.354 0 50 EIAA Cc1cc(NC(=O)CSc2ccccc2)ccc1Br 452371 VABAVBQLSAYHEK-UHFFFAOYSA-N 336.254 4.488 0 50 EIAA CN(C(=O)c1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1 457726 LEFVRPUACKZXFO-UHFFFAOYSA-N 336.435 4.344 0 50 EIAA COc1ccc(-c2cc(-c3ccccc3)nc(Cl)n2)cc1OC 2496910 LBINREJTDNMIPH-UHFFFAOYSA-N 326.783 4.481 0 50 EIAA Cc1cc(OC(=O)c2ccc(Cl)cc2)c2c(C)cc(=O)oc2c1 4810767 CRONBVCCTJUSSH-UHFFFAOYSA-N 328.751 4.282 0 50 EIAA O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H](Nc2ccccc2)C1 12448548 JXLBKHSUBURBHH-HXUWFJFHSA-N 349.478 4.004 0 50 EIAA Fc1ccccc1CN1CCN(Cc2ccc3ccccc3c2)CC1 19360143 UWHSNUUCVVHYKP-UHFFFAOYSA-N 334.438 4.297 0 50 EIAA COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1Cl)NCC2 22018359 WDYIKIZWXGOOHA-QGZVFWFLSA-N 338.234 4.246 0 50 EIAA CC(C)OC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 66607030 YITGYQVUDHICDR-UHFFFAOYSA-N 329.343 4.323 0 50 EIAA Cc1ccnc([C@H](Nc2nccc(CCC(F)(F)F)n2)C2CC2)c1 71751559 LSKSVSOYZLJKTP-OAHLLOKOSA-N 336.361 4.238 0 50 EIAA Cc1ccc2c(c1)c(C(=O)N1CCC[C@H](c3ccccc3C)C1)nn2C 82098774 BNZPLGZFOAHDNA-KRWDZBQOSA-N 347.462 4.210 0 50 EIAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2ccco2)cc1 96165758 XQXRBUDUGMLRNI-QGZVFWFLSA-N 328.412 4.370 0 50 EIAA BrC1(Br)[C@H]2C[C@@]34C=C[C@@]3(CC=CC4)C[C@H]21 101038080 RQEXXEWMZPALII-IWDIQUIJSA-N 330.063 4.405 0 50 EIAA O=C(CCCc1cccs1)NCc1coc(-c2ccccc2)n1 133152484 WRYGYPYRRFSORH-UHFFFAOYSA-N 326.421 4.042 0 50 EIAA Cc1nc(-c2ccccc2)ncc1C(=O)N(CC(F)(F)F)C1CCC1 150689690 MILUZHQULVELOB-UHFFFAOYSA-N 349.356 4.009 0 50 EIAA CCNCc1ccccc1NC(=O)Cc1cc(Cl)ccc1Cl 170048090 YESWYSDGJBGZIZ-UHFFFAOYSA-N 337.250 4.284 0 50 EIAA Cc1cc2c(cc1NC(=O)N1CCC(c3ccsc3)CC1)OCO2 187384893 QEUCLPHMZKSXET-UHFFFAOYSA-N 344.436 4.197 0 50 EIAA O=C(Nc1ccccc1OC(F)F)N1CCC(c2ccncc2)CC1 191781179 WGMCGHFQYNPYST-UHFFFAOYSA-N 347.365 4.095 0 50 EIAA Cc1noc2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 239287471 CWEKHXSSQMBRHH-OWVDYMSYSA-N 327.468 4.320 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CCC[C@@](C)(c2ccccc2)C1 241338588 MCBFQGGSGUOHSV-HXUWFJFHSA-N 340.471 4.129 0 50 EIAA Cc1noc(C)c1NC(=O)N1CCC[C@](C)(c2ccccc2)CC1 287016696 NVSXXJKNOHVBNH-IBGZPJMESA-N 327.428 4.267 0 50 EIAA CC(C)Sc1ccccc1NC(=O)N1CC(c2ccccn2)C1 299796942 QGWAKJHTMRFLDG-UHFFFAOYSA-N 327.453 4.213 0 50 EIAA C[C@@H]1C[C@H](C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)CCO1 408513818 HBPJBMWDCWXQGG-NQBHXWOUSA-N 342.266 4.254 0 50 EIAA CCCN(CCOC)C(=O)c1cccc(-c2ccc(O)c(Cl)c2)c1 426362074 RSTJBGIFKIETHV-UHFFFAOYSA-N 347.842 4.211 0 50 EIAA CCCn1c(C)nc2cc(NC(=O)CCc3scnc3C)ccc21 823024306 XDCORYDWPOGWRU-UHFFFAOYSA-N 342.468 4.091 0 50 EIAA COc1c(Cl)cccc1-c1noc(C2CN(C3CCCCC3)C2)n1 904185198 RZSHSOFJDABJFZ-UHFFFAOYSA-N 347.846 4.131 0 50 EIAA C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCN2 926148567 WPQQWADUVYHGHM-YWZLYKJASA-N 335.451 4.455 0 50 EIAA CCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H](C(F)F)C2)cc1 1190443359 NOEMUFZHOQINBI-CYBMUJFWSA-N 345.455 4.040 0 50 EIAA CN(Cc1ccc(-c2ccccc2F)o1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529159137 OXANPANLKUSHJE-GEEKYZPCSA-N 329.415 4.067 0 50 EIAA Cc1cc(O)nc(C)c1NC(=O)c1cc(C(F)(F)F)ccc1Cl 1875248822 QEZKKUXSVZFCJO-UHFFFAOYSA-N 344.720 4.329 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)NCC(C)(C)C3CC3)[C@@H]2C)cc1F 1875358136 KUVDVGVHMNQBIR-CZUORRHYSA-N 348.462 4.158 0 50 EIAA CSCCCN(C(=O)[C@@H]1Cc2c(Cl)cccc21)c1cccnc1 2325760771 WIVNRHDINVYJBM-MRXNPFEDSA-N 346.883 4.161 0 50 EIAA COc1ccc(CSc2nnnn2-c2cccc3ccccc23)cc1 44627 LNGIADVBBOVTHL-UHFFFAOYSA-N 348.431 4.116 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 62057 IXGUADNRLBSRDZ-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA CC(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 133566 BKVBFAVODRCPKK-UHFFFAOYSA-N 325.408 4.204 0 50 EIAA Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(Cl)cc1Cl 472403 VKRRPZUTZRBGID-UHFFFAOYSA-N 336.284 4.255 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)N1c2ccc(F)cc2CC[C@@H]1C 483680 HMUCRJRZWGLFED-LIRRHRJNSA-N 327.399 4.351 0 50 EIAA COc1cccc(COc2cc3oc(=O)cc(C)c3cc2Cl)c1 488981 KPLYHMNELPBEKM-UHFFFAOYSA-N 330.767 4.342 0 50 EIAA biogenic CCOc1ccc(CCNC(=O)Nc2ccccc2C)cc1OCC 528322 FGXCVWFMYUKVRG-UHFFFAOYSA-N 342.439 4.157 0 50 EIAA O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC2=CCCCCN12 3145504 IWJPJJGWCQBIIU-CQSZACIVSA-N 328.359 4.185 0 50 EIAA O[C@@](c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl 4099031 NHOWDZOIZKMVAI-KRWDZBQOSA-N 331.202 4.068 0 50 EIAA endogenous,in-man Sc1nnc(-c2ccncc2)n1-c1ccc(Nc2ccccc2)cc1 5927478 BBRVZNGTACBREZ-UHFFFAOYSA-N 345.431 4.362 0 50 EIAA CCN(Cc1ccncc1)C(=O)c1cc2c(s1)CCCCCC2 6698601 VXERSISLUVDWDK-UHFFFAOYSA-N 328.481 4.464 0 50 EIAA c1cncc(CCCn2ccc(-c3cccc(-c4cncnc4)c3)n2)c1 20919258 RXKIMPQBVWOXOV-UHFFFAOYSA-N 341.418 4.035 0 50 EIAA CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(C)c3C[C@H]2C[C@H]1O 27638863 OLMBOBKKGZYZNU-WJJPVSRMSA-N 330.512 4.428 0 50 EIAA in-vitro O=C(CCCc1cccs1)Nc1ccc(OC[C@@H]2CCCO2)cc1 46500843 SZBWQDDSUWFPOH-KRWDZBQOSA-N 345.464 4.267 0 50 EIAA Cc1ccc(NCc2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1 65385215 OAOLNVMCTZLTEV-UHFFFAOYSA-N 344.405 4.478 0 50 EIAA C[C@H](C(N)=O)n1cnc(-c2ccccc2)c1-c1cc2ccccc2o1 65409005 NWVPVTBBDNUQRA-CYBMUJFWSA-N 331.375 4.010 0 50 EIAA O=C(O)[C@@]1(Cc2ccccc2)CCCN(c2ccc3ccccc3n2)C1 71765533 DPRQSYSJINPNGY-JOCHJYFZSA-N 346.430 4.149 0 50 EIAA O=C(Nc1ccc(SCc2ccco2)cc1)N1CCSCC1 95526185 OVORNZWJZXRUJJ-UHFFFAOYSA-N 334.466 4.153 0 50 EIAA O=C(CCc1ccc(-c2ccccc2F)o1)N1CCc2cnccc21 118709064 QXXRKECOXFXSMI-UHFFFAOYSA-N 336.366 4.003 0 50 EIAA Cc1ccc2c(-c3ccccc3)c(CN3CCCCC3)c(=O)[nH]c2c1 170619389 NCFATCSMUHOGAA-UHFFFAOYSA-N 332.447 4.489 0 50 EIAA CCC(CC)n1nc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc1C 189582504 HLWADYSAZJRLGG-QGZVFWFLSA-N 341.455 4.115 0 50 EIAA Cc1ncsc1CCN(C)Cc1ccc([C@H]2CCCCO2)s1 215004817 LUUAEGMCBUSCML-OAHLLOKOSA-N 336.526 4.429 0 50 EIAA Cc1c(C(=O)N(C)[C@@H](c2ccccn2)C2CC2)n(C)c2c(C)cccc12 215081966 MVLBIVJDFRVVSF-OAQYLSRUSA-N 347.462 4.413 0 50 EIAA Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@H]2c2csc(C)n2)o1 253433208 UADZOYVIEAXKTJ-SJCJKPOMSA-N 347.484 4.221 0 50 EIAA Cc1cc(C)cc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 273329449 TXNMPJKWMVFOQI-UXHICEINSA-N 341.426 4.435 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)cc(C)n1 299762015 UKOIRKIITHHQDW-INIZCTEOSA-N 328.843 4.372 0 50 EIAA O=C(c1ncoc1C1CC1)N1CCCC[C@@H]1c1nc2ccccc2o1 328951310 XEWAMZGWBBLAGT-CQSZACIVSA-N 337.379 4.061 0 50 EIAA Fc1cccc(OCc2nc([C@@H]3CCOC3)n(C3CCCCC3)n2)c1 584885873 PUYGMUXRWOQYIE-CQSZACIVSA-N 345.418 4.005 0 50 EIAA Cc1ccc(Oc2ccc(Nc3ccc(C(F)(F)F)nn3)cc2)nn1 678066465 HBZRCRBRLBCKTM-UHFFFAOYSA-N 347.300 4.130 0 50 EIAA Clc1ccc(N(Cc2ccco2)Cc2noc3c2COCC3)cc1 929973639 VQUXPOWPSARSFS-UHFFFAOYSA-N 344.798 4.201 0 50 EIAA CC(C)c1cc(C(=O)N(C(C)C)[C@@H]2CCCc3cccnc32)on1 952845065 SHXBRGOMULTUFZ-MRXNPFEDSA-N 327.428 4.121 0 50 EIAA CSc1ccc2c(C)cc(N3CC(n4nc(C)cc4C)C3)nc2c1 1529133131 DIRQAGNUFUXUAP-UHFFFAOYSA-N 338.480 4.140 0 50 EIAA O=c1ccc(-c2ccc(F)cc2)nn1C[C@H]1CCC[C@H]1C(F)(F)F 2325772448 VJQWMXOEJFWENS-TZMCWYRMSA-N 340.320 4.028 0 50 EIAA CC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 217185 IJNHTASYCHKLAZ-AWEZNQCLSA-N 334.419 4.439 0 50 EIAA Cc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 311712 OSRFCTUTCVBBCE-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CC1(C)C[C@@](CNCc2ccc(O)cc2)(c2ccccc2)CCO1 343891 VVBVCEGVOQDTJC-NRFANRHFSA-N 325.452 4.009 0 50 EIAA biogenic CCCC(=O)c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1 614027 HIZQVMFNOGEXJB-UHFFFAOYSA-N 325.408 4.249 0 50 EIAA COC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 616724 NZDAYLBMXKESTC-UHFFFAOYSA-N 325.389 4.274 0 50 EIAA O=C(Nc1nnc(C2CC2)s1)C1c2ccccc2Oc2ccccc21 1055091 FRQDFADFKTWMLG-UHFFFAOYSA-N 349.415 4.292 0 50 EIAA C[C@H](O)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 1926783 HDNYQJUBHSDNPY-ZDUSSCGKSA-N 330.815 4.212 0 50 EIAA CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2 2510569 RQYIUGOJQFWLAZ-UHFFFAOYSA-N 348.446 4.137 0 50 EIAA in-vitro CC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 3958832 TYFBMKPBRKFICJ-UHFFFAOYSA-N 325.408 4.339 0 50 EIAA COc1cc(CNCc2ccco2)ccc1OCc1ccc(F)cc1 5019447 OQWLIPMVWJIXPM-UHFFFAOYSA-N 341.382 4.296 0 50 EIAA CC(C)C[C@H](C)NC(=O)c1ccccc1C(=O)N[C@@H](C)CC(C)C 5380747 CZQFDOWOGQWTSG-HOTGVXAUSA-N 332.488 4.015 0 50 EIAA Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 6714585 CJIVHNLWZWHJGN-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA Cc1cc(S[C@@H](C)C(=O)Nc2nccs2)nc2ccccc12 11907435 HUNSFHCCLLXJIS-NSHDSACASA-N 329.450 4.119 0 50 EIAA Cc1oc(-c2ccoc2)nc1CN1CCCC[C@H]1c1nccs1 12315365 GOGPGBUBUDMXQK-HNNXBMFYSA-N 329.425 4.427 0 50 EIAA CC(C)n1cc(CN[C@H]2CCCc3nc(-c4ccccc4)ncc32)cn1 14957565 DFLZNZDGCCUNFR-IBGZPJMESA-N 347.466 4.088 0 50 EIAA O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@@H]23)cc1 16661369 VUIVNIRTYXJXCX-RRQGHBQHSA-N 329.783 4.283 0 50 EIAA CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@H]1C/C=C\CCCC(=O)O 27640139 CTHZICXYLKQMKI-HWZGDPEYSA-N 336.472 4.280 0 50 EIAA in-vitro CC(C)c1noc([C@H](C)N[C@H](C)Cc2cccc(C(F)(F)F)c2)n1 65393890 LXCQIVKQRWYIIY-NEPJUHHUSA-N 341.377 4.494 0 50 EIAA CN(C)c1ccccc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77408080 PGQHLROQUCACDN-GOSISDBHSA-N 326.415 4.259 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)Cc2c(F)cccc2Cl)c(C)s1 82097657 DIVLCUSRTPGZLE-VIFPVBQESA-N 340.851 4.315 0 50 EIAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 95529196 KWPMGAAZUXVATQ-LBPRGKRZSA-N 337.876 4.199 0 50 EIAA CC[C@H](NC(=O)N[C@H]1CCCc2sccc21)c1c(C)noc1C 130547859 GVBCDQXCOQOVTI-KBPBESRZSA-N 333.457 4.181 0 50 EIAA CC(C)C[C@H]1COCCN1C(=O)c1cc2c(ccc3ccccc32)[nH]1 170626631 AJPZJPSISXRSDB-INIZCTEOSA-N 336.435 4.208 0 50 EIAA COc1cccc(NC2CCN(Cc3cc(C)sc3C)CC2)c1 225560665 HNBKXBVBFLSZBU-UHFFFAOYSA-N 330.497 4.450 0 50 EIAA Cn1ccc2ccc(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cc21 253412045 PSILJCBBADSAME-LJQANCHMSA-N 343.430 4.467 0 50 EIAA biogenic CC(C)n1ncc2ccc(NC(=O)N3CCC[C@@H](C4CC4)C3)cc21 289878147 XGSBMBVNKCOUAH-MRXNPFEDSA-N 326.444 4.271 0 50 EIAA CCCN1CC[C@@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1 389192099 VPFAYRSFESZZJZ-CQSZACIVSA-N 341.480 4.130 0 50 EIAA C[C@@H](C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1cccc(F)c1 460671959 FURQZAABNSXMLA-CQSZACIVSA-N 349.409 4.121 0 50 EIAA CCS(=O)(=O)c1ccc(-c2cccc([C@@H](C)N3CCCC3)c2)s1 534636277 GNJORBFMFIHHKW-CQSZACIVSA-N 349.521 4.366 0 50 EIAA CC[C@@H]1CCc2sc(C(=O)N3CC[C@@H](c4ccccn4)C3)cc2C1 2325738155 VDPQDGAVYSTUJH-HUUCEWRRSA-N 340.492 4.288 0 50 EIAA COc1cccc([C@@H](C)Nc2cccc(-c3n[nH]c4c3COCC4)c2)c1 2325803718 XKGRDDQHJLBNEK-CQSZACIVSA-N 349.434 4.331 0 50 EIAA O=C(c1ccc(-c2cc(-c3ccccc3)no2)nc1)N1CCCCC1 2356144828 NROXMPJZXOYEEP-UHFFFAOYSA-N 333.391 4.030 0 50 EIAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccnc1 29330 IINUCCJUWFFRDP-UHFFFAOYSA-N 336.778 4.218 0 50 EIAA COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 175928 MUEJIPMUQXCYNL-FQEVSTJZSA-N 330.387 4.466 0 50 EIAA Cc1ccc(-c2nnc3sc(COc4ccccc4C)nn23)cc1 383170 FQZAGQCOHXEYCG-UHFFFAOYSA-N 336.420 4.049 0 50 EIAA COc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)cc1 4589837 VKNILLMIDSQITM-UYRXBGFRSA-N 329.355 4.193 0 50 EIAA O=C(O)[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 4949537 QKBPDVBZTVJMLY-NXEZZACHSA-N 348.613 4.165 0 50 EIAA CC(C)(C)[C@@H](Cn1cccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2 6386533 YOUUKIQHCANRAF-IGDKPHCXSA-N 343.515 4.021 0 50 EIAA CC(C)c1ccc(CN2CCC(CCC(=O)N3CCCC3)CC2)cc1 12476793 UKCWYVQELDMBGT-UHFFFAOYSA-N 342.527 4.425 0 50 EIAA Cc1ccc(Cn2ncc3[nH]c(-c4coc(-c5ccccc5)n4)nc32)o1 20351572 BEYHEVWHWBWIIO-UHFFFAOYSA-N 345.362 4.031 0 50 EIAA Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(F)c2)cc1 20616255 YAKNYAMBHQGCOK-UHFFFAOYSA-N 340.354 4.262 0 50 EIAA CCN(C/C=C/c1ccccc1)C(=O)c1ccc([C@H]2CCCN2)s1 55153987 RYRKAELOCSVUKZ-PYUISTEWSA-N 340.492 4.348 0 50 EIAA Cc1cccc(-c2nccn2Cc2scnc2-c2ccccc2)n1 71415732 OTMDNQBBUPMTBK-UHFFFAOYSA-N 332.432 4.425 0 50 EIAA COc1cc(OC)c(CN2CCCCC[C@@H]2c2ccco2)c(OC)c1 72135330 OQFCYEJTGYWOPS-QGZVFWFLSA-N 345.439 4.423 0 50 EIAA COCc1ccc(C(=O)N(Cc2ccncc2)C2CCCCC2)s1 97413326 JFCGQFAZRQFRLR-UHFFFAOYSA-N 344.480 4.265 0 50 EIAA Cc1cccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c1Cl 100719606 PLDXHJTUGWOGCX-ZDUSSCGKSA-N 348.229 4.424 0 50 EIAA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1 118916298 XBSQQVJXPODPRW-BSMDRJKDSA-N 344.495 4.386 0 50 EIAA CCc1nc([C@H](C)Nc2ccc3c(c2)C(=O)NC3)oc1-c1ccccc1 124880776 MFGZZTVPODVPIY-ZDUSSCGKSA-N 347.418 4.321 0 50 EIAA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCCC2(CCCCCC2)C1 129668212 OAVFWWURBGFQHZ-QZTJIDSGSA-N 334.504 4.090 0 50 EIAA COc1cc(CNc2nnc(CC3CCCC3)o2)ccc1OC(C)C 181810523 OPHAPXXUVZYRSR-UHFFFAOYSA-N 345.443 4.210 0 50 EIAA Cc1ccc2c(c1)CCN(C(=O)Nc1cccc(N3CCCC3)c1)C2 252487881 IDFFWDNVFPDYQT-UHFFFAOYSA-N 335.451 4.185 0 50 EIAA Cc1cc(C)cc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1 252494809 OFMFXDFPHZVZKB-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)s1 299768555 JYIDUODCMMEOHJ-MRXNPFEDSA-N 332.444 4.195 0 50 EIAA O=C(N[C@H]1CCCCC12CCCC2)N[C@@H]1CCCC12CCOCC2 332876228 SQMQUMMNULNXCP-DLBZAZTESA-N 334.504 4.138 0 50 EIAA CC(=O)c1cc(F)cc(F)c1OCc1csc(-c2ccccn2)n1 731566673 GNDJBKVXIJKTSS-UHFFFAOYSA-N 346.358 4.265 0 50 EIAA Cc1nsc(N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)n1 853851433 RZOSNRXONBQBDA-AWEZNQCLSA-N 346.456 4.293 0 50 EIAA CCCN(C(=O)[C@@H](C)c1nnc(O)c2ccccc12)C1CCCCC1 952986094 JNKYDPZPISFVIU-AWEZNQCLSA-N 341.455 4.010 0 50 EIAA Cc1ccc(-c2csc(NC(=O)c3nn(C)cc3Cl)n2)c(C)c1 1353752174 AJLVZGXSQJZCFQ-UHFFFAOYSA-N 346.843 4.066 0 50 EIAA CCc1noc(-c2nc(-c3ccc(C)cc3)oc2-n2nc(C)cc2C)n1 2050025112 UGEFFKGGQYTGMR-UHFFFAOYSA-N 349.394 4.065 0 50 EIAA CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCC2 137343 XUPOOTAZTHRANZ-CMDGGOBGSA-N 347.461 4.127 0 50 EIAA O=C(CSc1ccccc1)Nc1nnc(-c2ccc(F)cc2)s1 619996 UUADRDNGQUIVHX-UHFFFAOYSA-N 345.424 4.075 0 50 EIAA CCCOc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1 2991171 WIZUBIRGTWHICN-UHFFFAOYSA-N 342.464 4.219 0 50 EIAA Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(C)c1 3482368 HCVQGMRIRQJIKK-SFHVURJKSA-N 325.408 4.114 0 50 EIAA COc1cc(C=O)ccc1OCCCOc1ccc(Cl)c(C)c1 4702017 URLDTDQJHFOQDH-UHFFFAOYSA-N 334.799 4.317 0 50 EIAA O=C(Nc1ccccc1C(=O)OCc1ccc(F)cc1)c1ccco1 4979796 XMKSTLMWWVYABS-UHFFFAOYSA-N 339.322 4.028 0 50 EIAA CCCCOc1ccc(Cc2c(COCC)nc(=S)[nH]c2O)cc1 15985271 KZEULTCDBGWMNW-UHFFFAOYSA-N 348.468 4.151 0 50 EIAA Cc1cc(-c2cccc(-c3ccn(Cc4nccs4)n3)c2)ccn1 20999585 WCQINAOWQUADLO-UHFFFAOYSA-N 332.432 4.425 0 50 EIAA O=C(c1ccccc1Br)c1ccccc1Br 38883864 JCVYQVHAGOZGIX-UHFFFAOYSA-N 340.014 4.443 0 50 EIAA CN(C)c1ccccc1C(=O)N1CCCC[C@@H]1CCc1cccs1 82106864 RWDYGKHTRVEKPP-MRXNPFEDSA-N 342.508 4.442 0 50 EIAA COc1ccc(C(C)(C)C)cc1NC(=O)N1CCC(F)(F)CC1 95508784 XFIMUWVWLCNZPV-UHFFFAOYSA-N 326.387 4.256 0 50 EIAA CCOc1ccccc1NC(=O)OCCCN1CC2CCC(CC2)C1 96027328 KNJOKBFRFQFAFQ-UHFFFAOYSA-N 346.471 4.146 0 50 EIAA CC(C)c1nc(CN(C)C(=O)Nc2ccnn2[C@H](C)C2CC2)cs1 96135707 KATCDSXTNAGXQG-GFCCVEGCSA-N 347.488 4.098 0 50 EIAA O=C(c1cccc(C(F)F)c1)N(Cc1ccco1)C[C@H]1CCCO1 171551570 XSBONZTYSPXUKG-MRXNPFEDSA-N 335.350 4.039 0 50 EIAA CS[C@@H](C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1 172400413 XEXNDCVODSNILC-GOSISDBHSA-N 340.448 4.004 0 50 EIAA C[C@@H](NCCCc1nc(-c2ccncc2)cs1)c1cccc(O)c1 194924098 MRAPMCBEUCQZTH-CQSZACIVSA-N 339.464 4.194 0 50 EIAA C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253596591 SXXRMGBMPQWUTB-YDETXVTLSA-N 332.484 4.053 0 50 EIAA C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccsc2Cl)C1 282039658 UJPOHAAPVTYDTL-WVWOOGAGSA-N 342.892 4.195 0 50 EIAA CC(C)OCc1cccc(NC(=O)N[C@@H]2CCCC23CCOCC3)c1 374389340 MSOBERMRMKWVMN-GOSISDBHSA-N 346.471 4.082 0 50 EIAA CC(C)OCc1noc(CN2CCCC[C@H]2c2ccc(Cl)cc2)n1 930651816 CAVVSNZZBCPYHM-INIZCTEOSA-N 349.862 4.375 0 50 EIAA O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@]2(CCC[C@H]2O)C1 1704343581 KNTUHWLENCQGMZ-CZUORRHYSA-N 343.254 4.152 0 50 EIAA O=C(O)c1ccc([C@H]2CCCN2Cc2nc(C3CC3)cs2)s1 2325790554 UWOFIRCYDUQGEJ-GFCCVEGCSA-N 334.466 4.117 0 50 EIAA O[C@@H](CNCc1cccc2cc(Cl)ccc12)Cc1ccccc1 2325841849 HQIKNTRCEQYTRK-LJQANCHMSA-N 325.839 4.186 0 50 EIAA COc1ccc(CN2CCC(Cc3ccccc3)CC2)c(OC)c1 199322 HRNYTAQDFVUAKK-UHFFFAOYSA-N 325.452 4.159 0 50 EIAA COc1ccc([C@H](C)NC(=O)c2csc3c2CCCC3)cc1OC 1055295 UFNICLWVGFQCIM-LBPRGKRZSA-N 345.464 4.135 0 50 EIAA CCOc1ccccc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 1059720 QQQCZOXYNCUMSF-UHFFFAOYSA-N 326.179 4.350 0 50 EIAA Nc1c(-c2ccc(Cl)cc2)nnn1-c1ccccc1C(F)(F)F 1430262 JDASBYCJMYFSIP-UHFFFAOYSA-N 338.720 4.189 0 50 EIAA Cn1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 2802540 UXRCLARWPTXMQM-UHFFFAOYSA-N 334.803 4.018 0 50 EIAA O=C(O)c1ccc(CNCc2ccc(-c3ccc(F)cc3)o2)cc1 4868713 LLICPSSHVBHORL-UHFFFAOYSA-N 325.339 4.074 0 50 EIAA C[C@H](CCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 4956623 KOJKMUBHIZWCBP-CYBMUJFWSA-N 346.377 4.348 0 50 EIAA Brc1ccc(-c2ccc(CNCc3ccncc3)o2)cc1 4998568 SCWCCTFNTBCYMB-UHFFFAOYSA-N 343.224 4.394 0 50 EIAA CCCCOc1ccc(-c2nnc(S)n2Cc2ccccc2)cc1 5737008 MTIRRHNSBFLBAM-UHFFFAOYSA-N 339.464 4.461 0 50 EIAA Cc1nc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c[nH]1 12317297 VETDNEWSOGYLDX-KRWDZBQOSA-N 339.483 4.111 0 50 EIAA c1ccc(CN2CCN(Cc3ccccc3)C2c2cccnc2)cc1 19228628 LAQJXNMXIQDUBI-UHFFFAOYSA-N 329.447 4.098 0 50 EIAA COc1cc(CN2CCC[C@H](c3[nH]ncc3CC(C)C)C2)ccc1F 19837854 QCZPOJIWCIMVMD-INIZCTEOSA-N 345.462 4.136 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)[nH]n1 71757095 BZZJSQHSAISNKZ-MRXNPFEDSA-N 343.446 4.157 0 50 EIAA CC1CCN(C(=O)c2ccccc2NC(=O)CC2CCCC2)CC1 72117609 FEYSDFXGOXEFMC-UHFFFAOYSA-N 328.456 4.078 0 50 EIAA Cc1ccc(Oc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)nn1 72442333 XEBFOOKQRZOHAE-HNNXBMFYSA-N 333.391 4.068 0 50 EIAA C[C@H](NC(=O)N[C@@H](C)C1CCOCC1)c1cccc2ccccc12 127701062 JBWWQNJLEJCYSV-GJZGRUSLSA-N 326.440 4.015 0 50 EIAA CO[C@H](CNC(=O)c1c(C)[nH]c2ccccc12)c1ccccc1Cl 128320638 MIEMRACMMUPGLP-QGZVFWFLSA-N 342.826 4.247 0 50 EIAA c1ccc([C@@H](NCc2cnc(-c3ccco3)s2)[C@H]2CCCO2)cc1 193068567 DIKRGGLHOCNTEH-SJLPKXTDSA-N 340.448 4.413 0 50 EIAA CCCOc1ccc(CN[C@@H]2CCCc3c(OC)cccc32)cn1 194887527 UROYQPJKWYMQRW-GOSISDBHSA-N 326.440 4.046 0 50 EIAA COCc1nc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)cs1 230125538 VXMNBJXOQYNEBS-LPHOPBHVSA-N 328.481 4.191 0 50 EIAA CCC[C@]1(COC)CCCN1C(=O)Nc1ncsc1C(C)C 289723520 ORCNZBYRPQDADM-MRXNPFEDSA-N 325.478 4.080 0 50 EIAA Cc1sc2nc(CN[C@@H](c3ccccc3)C(F)F)nc(O)c2c1C 292824535 SYQJENWQYAYIKZ-AWEZNQCLSA-N 349.406 4.110 0 50 EIAA O=C([C@@H]1CCC(F)(F)C1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 456719727 YXVMBKOUZKRPOC-IUODEOHRSA-N 333.382 4.052 0 50 EIAA CCn1c(C)cc2cc(NC(=O)[C@@H](C)n3ccnc3C(C)C)ccc21 823582596 NDNLENJOUSUBPR-OAHLLOKOSA-N 338.455 4.489 0 50 EIAA CCC(CC)(CC)S(=O)(=O)[C@@H](C)c1nnc(-c2cccs2)o1 864091419 UQIZMSPLCXNKTK-NSHDSACASA-N 342.486 4.243 0 50 EIAA C[C@H](NCc1cc(O)cc(Cl)c1)c1ccc(N2CCCC2=O)cc1 892678368 FPFVSPVENGWHGD-ZDUSSCGKSA-N 344.842 4.023 0 50 EIAA CSc1ccc2cc(CN(C)CC[C@@H]3CCCCO3)c(O)nc2c1 952981074 KGMJEXNRMSPUSE-INIZCTEOSA-N 346.496 4.053 0 50 EIAA CC[C@H](c1ccccn1)N(C)Cc1cc(O)c2cccc(F)c2n1 1506412365 XRJPBORUHBUDFR-QGZVFWFLSA-N 325.387 4.058 0 50 EIAA C[C@H](NC(=O)c1cc2cccnc2s1)c1cccc(OC(F)F)c1 1875325176 SNBNSQWYSJHBLO-JTQLQIEISA-N 348.374 4.389 0 50 EIAA CCc1ccncc1-c1cc(Cl)cc(C)c1OC1CCNCC1 1875329536 BNWPVKSBPNNKIM-UHFFFAOYSA-N 330.859 4.404 0 50 EIAA c1ncc([C@@]23CC[C@@H](C2)[C@@H]3c2nc([C@@H]3CCCCS3)no2)s1 1875338629 FFRKEDLIBWAGFP-GKSGUAPZSA-N 333.482 4.320 0 50 EIAA O=C(c1cccc2ncsc12)N1CCCC[C@@H]1c1nccs1 1940194641 AYDQRMIJGFQLMM-CYBMUJFWSA-N 329.450 4.120 0 50 EIAA COc1ccc(-c2ccc(CCC(=O)OCc3cncs3)o2)cc1 2325735828 AQENYEIVELAUFW-UHFFFAOYSA-N 343.404 4.088 0 50 EIAA FC(F)n1c(CCN[C@@H]2CCCc3ncccc32)nc2ccccc21 2325760141 XJRUAUQAJVPGLL-OAHLLOKOSA-N 342.393 4.036 0 50 EIAA CCOc1ccc([C@H]2NCCc3cc(OCC)c(OCC)cc32)cc1 34504 BITGIXSXFHMOBA-OAQYLSRUSA-N 341.451 4.118 0 50 EIAA biogenic CCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 60424 XXKDNASNXOXYRQ-UHFFFAOYSA-N 340.492 4.317 0 50 EIAA biogenic CCOC(=O)c1sc2ncnc(Nc3ccc(C)cc3)c2c1C 98348 CLDHQOVMQCROQN-UHFFFAOYSA-N 327.409 4.228 0 50 EIAA O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 156161 HYCRWYWSIPMWFA-UHFFFAOYSA-N 333.343 4.429 0 50 EIAA O[C@H](CN1CCCCC1)Cn1c2ccccc2c2cc(Cl)ccc21 210444 GWZRVROTTFACQU-MRXNPFEDSA-N 342.870 4.295 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)C[C@H]1CCCO1 359162 RTYHFZTTZLLCNX-OAQYLSRUSA-N 335.447 4.385 0 50 EIAA Cc1cccc(N2C(=O)S[C@H](Nc3ccc(Cl)cc3)C2=O)c1 1228255 RCDCHYMSCOUPRX-AWEZNQCLSA-N 332.812 4.286 0 50 EIAA CCc1c2c(nn1-c1ccccc1F)C[C@H](c1ccccc1)CC2=O 1423589 LFAJENSHTIPWHX-HNNXBMFYSA-N 334.394 4.487 0 50 EIAA COc1ccc2nc(NC(=O)CCSc3ccccc3)sc2c1 4740516 NKAYXNPJNHEGML-UHFFFAOYSA-N 344.461 4.426 0 50 EIAA CCCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3 9667369 BTWHJGNFAQTRRZ-UHFFFAOYSA-N 328.462 4.252 0 50 EIAA Cc1ccc(C)c(CN2CCC[C@](CO)(Cc3ccccc3F)C2)c1 12226670 RNLCMDYIFTZQMB-QFIPXVFZSA-N 341.470 4.260 0 50 EIAA CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 13485796 VNYSSYRCGWBHLG-NOSILTJOSA-N 336.472 4.158 0 50 EIAA in-vitro CCOC(=O)C1(CC2CC2)CCN([C@@H](C)Cc2ccc(F)cc2)CC1 19836661 XADKAGVPVNJLAP-INIZCTEOSA-N 347.474 4.202 0 50 EIAA O=C(Nc1cccc(-c2cscn2)c1)c1ccc2nccnc2c1 20783103 OLUUDJVBBGNNRJ-UHFFFAOYSA-N 332.388 4.006 0 50 EIAA Cc1oc(-c2ccco2)nc1CN(C)Cc1cc2cc(F)ccc2[nH]1 20999557 MQBJAIZSMXAOAR-UHFFFAOYSA-N 339.370 4.495 0 50 EIAA Oc1ccccc1-c1nc(C2CC2)nn1-c1cccc2cccnc12 65387883 SEHSYJMQDKAXDE-UHFFFAOYSA-N 328.375 4.066 0 50 EIAA O[C@@H]1Cc2ccccc2[C@@H]1n1cnc(-c2ccccc2)c1-c1ccco1 65406131 LGVUNKLCZIPYJY-NQIIRXRSSA-N 342.398 4.317 0 50 EIAA CN(Cc1ccc(-c2cc[nH]n2)s1)Cc1cccc2ncccc12 72129493 ZHJGIGBMRJUWBT-UHFFFAOYSA-N 334.448 4.318 0 50 EIAA Cc1cccc2cc(C(=O)NCc3cccc(N4CCCC4)c3)n(C)c12 95368841 YFVNHAVLJCSNOU-UHFFFAOYSA-N 347.462 4.017 0 50 EIAA Cc1scc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1C 180044424 ZSILGZJCQHXSEF-MRXNPFEDSA-N 335.856 4.232 0 50 EIAA CCCc1cc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)cs1 222532098 YMBNOTXQJRXOIA-UHFFFAOYSA-N 341.436 4.023 0 50 EIAA CCO[C@H](c1ccc(C)cc1)c1noc(Cc2csc(CC)n2)n1 225600150 DZQHESQMCIQFJQ-QGZVFWFLSA-N 343.452 4.114 0 50 EIAA CC[C@@H](NC(=O)N1CCCC[C@H]1c1nccn1CC)c1cccs1 239637130 BJADIHHUXHXIOK-CABCVRRESA-N 346.500 4.352 0 50 EIAA CCC(C)(C)C1CCC(CC(=O)N2CCC[C@@H]2c2nncn2C)CC1 253392165 FBJGYGDGGXGAKG-OFLPRAFFSA-N 346.519 4.111 0 50 EIAA O=C(Nc1ccncc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 253431343 VJNLKQQEGZXJLC-GOSISDBHSA-N 347.422 4.231 0 50 EIAA Cc1cc(NC(=O)N2CCSCC[C@H]2C)ccc1-c1ccncc1 297535134 XQPTWOMSZBNJIQ-OAHLLOKOSA-N 341.480 4.416 0 50 EIAA Cn1ncc(NC(=O)Nc2cccc(F)c2F)c1-c1ccccc1 349074937 AKDRAXXKNAMCSA-UHFFFAOYSA-N 328.322 4.009 0 50 EIAA C[C@H](NC(=O)NC[C@H]1CCOC1(C)C)c1cc(Cl)ccc1Cl 660505980 WYOBHWOJJGJXKQ-WDEREUQCSA-N 345.270 4.169 0 50 EIAA CCc1nc(CNC(=O)c2cccc(-c3ccc(C)o3)c2)cs1 823577383 KMULAZHNUJNANR-UHFFFAOYSA-N 326.421 4.204 0 50 EIAA COc1ccc2c(c1)[C@H](C(=O)Nc1cccc3c(O)nccc13)CCC2 1157888055 DOZJKODGFIFFPT-QGZVFWFLSA-N 348.402 4.008 0 50 EIAA C/C=C/COc1ccc(CC[C@H](C)NC[C@@]2(O)CCC[C@H]2C)cc1 1875333924 PWISFODCKMODBA-XDYNKAEPSA-N 331.500 4.103 0 50 EIAA CCO[C@@H](C)c1nc(C(=O)O[C@@H](C)c2ccc(Cl)cn2)cs1 2325807173 GEWRTYCKFHCXEG-UWVGGRQHSA-N 340.832 4.207 0 50 EIAA Cc1ccc(C)n1-n1c(C)nc2scc(-c3ccccc3)c2c1=O 87373 ZZENDIWXQDKBOX-UHFFFAOYSA-N 335.432 4.163 0 50 EIAA COc1ccc(NC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 311326 GODXSBHEXNJVHX-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA CC(C)N(Cc1ccccc1)C(=O)c1cccc(Br)c1 317507 HALACYQISORDJM-UHFFFAOYSA-N 332.241 4.500 0 50 EIAA O=S(=O)(c1ccccc1)C(Cc1ccccc1)Cc1ccccc1 399393 AYNNBKOPYXKXRW-UHFFFAOYSA-N 336.456 4.314 0 50 EIAA biogenic Cc1nnc2c3ccccc3nc(-c3ccc(Br)cc3)n12 453050 LHXYEUBHQAEGLI-UHFFFAOYSA-N 339.196 4.015 0 50 EIAA Cc1ccc(Cn2ncc3c(Nc4ccc(F)cc4)ncnc32)cc1 521662 DWIDMHOSAFRJPU-UHFFFAOYSA-N 333.370 4.066 0 50 EIAA COc1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1 617186 VDKOKTMDMMDAON-UHFFFAOYSA-N 333.796 4.465 0 50 EIAA Cc1cccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 2810395 BNTVUSXGLRXTFK-UHFFFAOYSA-N 338.354 4.141 0 50 EIAA Clc1ccc(COc2ccccc2CNC[C@@H]2CCCO2)cc1 4657505 CJRWRKQEIPTZKF-SFHVURJKSA-N 331.843 4.188 0 50 EIAA O=C(O)c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2cc(Cl)ccc12 5514173 VVIITUWVGKUWRP-NSCUHMNNSA-N 344.710 4.258 0 50 EIAA O=C(CSc1nc2ccccc2s1)NCc1ccc(Cl)cc1 5629369 QWWQMXWLXUCKNB-UHFFFAOYSA-N 348.880 4.358 0 50 EIAA Cc1ccccc1[C@H]1CC(=O)c2cnc(NCc3ccccc3)nc2C1 10156884 JGHHKTUMNNCUTD-QGZVFWFLSA-N 343.430 4.310 0 50 EIAA CCCc1ccc2oc(C(=O)N(C)Cc3cc(C)no3)c(C)c2c1 12475255 DMLLQSKMMNEIAN-UHFFFAOYSA-N 326.396 4.262 0 50 EIAA COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 13124764 BAIZGCLOUWAISR-CVEARBPZSA-N 340.814 4.086 0 50 EIAA Cc1oc(-c2ccccc2)nc1[C@H]1CC(=O)Nc2cc3[nH]ncc3cc21 67724742 JBBZFGXHEVMUBT-HNNXBMFYSA-N 344.374 4.000 0 50 EIAA Cc1ccc(C)c(C(=O)N2CCO[C@@H](Cc3ccccc3Cl)C2)c1 71639616 GRFTZVOAKJJDNO-KRWDZBQOSA-N 343.854 4.041 0 50 EIAA OC1CCN(c2ccccc2NCc2ccc(F)c(Cl)c2)CC1 180052595 ZEYRPWPNTBQBLX-UHFFFAOYSA-N 334.822 4.052 0 50 EIAA Cc1ccc(-c2ncc(CNc3ccc4c(c3)CC(=O)N4C)s2)cc1 193668676 BSPQLJBSSWKBKG-UHFFFAOYSA-N 349.459 4.250 0 50 EIAA CC(C)c1nccn1CCCNC(=O)c1cccc(-c2ccco2)c1 223504916 OWAWJLUNPZJYJD-UHFFFAOYSA-N 337.423 4.087 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]43C)OCCO5)[C@H]1CCC2=O 257346082 QGISYVREUUQQKE-JLJUJHICSA-N 332.484 4.341 0 50 EIAA O=C(c1cc2ccccc2s1)N1CCC[C@H]1C[C@@H](O)c1ccco1 268342819 PMJZVLFVZRVJKB-LSDHHAIUSA-N 341.432 4.223 0 50 EIAA O=C(N1CCC(OCC2CC2)CC1)C1(Cc2cccc(Cl)c2)CC1 450050521 FSWOGYGGRSDKSB-UHFFFAOYSA-N 347.886 4.080 0 50 EIAA CC(C)CCOc1ccc([C@@H](C)NC(=O)CCn2cccc2)cc1 673653931 HSWQPBGJYAMSLU-QGZVFWFLSA-N 328.456 4.181 0 50 EIAA COc1ccc2c(c1)[C@H](C)N(Cc1ccc(-c3cc[nH]n3)s1)CC2 824751106 PKHKRQXGIDIHCF-ZDUSSCGKSA-N 339.464 4.266 0 50 EIAA C[C@H]1c2cc(F)ccc2CCN1Cc1cccc(Cn2cccn2)c1 826602448 YSOSYIJOAKHQHG-INIZCTEOSA-N 335.426 4.190 0 50 EIAA Cc1occc1C(=O)Nc1c(F)cccc1NC(=O)OC(C)(C)C 952881011 FSZVQHRMGUERCP-UHFFFAOYSA-N 334.347 4.326 0 50 EIAA Fc1cc(-c2ccc(OCCn3ccnc3)cc2)c2ncccc2c1 1506424429 JYLZMYBHOCNYKQ-UHFFFAOYSA-N 333.366 4.316 0 50 EIAA CC[C@@]12C[C@@H]1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 1772812720 PLWXSNLQBPNDMV-KNQAVFIVSA-N 344.462 4.166 0 50 EIAA CC(C)(C)C[C@H](c1cccnc1)n1ccnc1-c1cnn2cccnc12 1857691328 GPXVKYOZSOCXRJ-QGZVFWFLSA-N 346.438 4.013 0 50 EIAA CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1ccc(O)cc1 148360 TZCHFPGEYWXTLF-UHFFFAOYSA-N 336.391 4.478 0 50 EIAA CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1 462955 WZDSXYNIWUFFEH-UHFFFAOYSA-N 339.420 4.030 0 50 EIAA COc1cc(NC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC 1002191 BIBPGZIAGHZHDN-UHFFFAOYSA-N 336.775 4.010 0 50 EIAA Cc1ccc(-n2nc(-c3ccc(Br)cc3)cc2N)cc1 1398715 YUCDHYAGQPDPON-UHFFFAOYSA-N 328.213 4.192 0 50 EIAA CCn1cc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 2762103 HRUAIZXIQBSOSN-MDWZMJQESA-N 347.418 4.134 0 50 EIAA COc1c(C)cc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc1C 2878818 RDSFKJWSIVFATD-UHFFFAOYSA-N 349.386 4.388 0 50 EIAA CCCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 4812801 PHXBPDZXCOZPQB-VBKFSLOCSA-N 341.794 4.473 0 50 EIAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 4834408 ORWSNLDVZRVOAX-BJOHPYRUSA-N 338.190 4.160 0 50 EIAA Cc1ccc(-c2nnc(COc3cccc4ccc(C)nc34)o2)cc1 4842384 NKYFWDKGUPYLGX-UHFFFAOYSA-N 331.375 4.481 0 50 EIAA CN(C)C(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 6702198 VEAZUSZHBPXWPU-UHFFFAOYSA-N 344.414 4.308 0 50 EIAA O=C(Nc1ccc(OCCCc2ccccc2)cc1)c1ccncc1 9875800 ZBMRBJGROVVJNC-UHFFFAOYSA-N 332.403 4.346 0 50 EIAA Clc1ccccc1CN[C@H]1CCCc2c1cnn2-c1ccccn1 11668247 BRZGPYZGYRKNEZ-KRWDZBQOSA-N 338.842 4.088 0 50 EIAA Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](CNC(=O)C1CC1)C2 11880890 DFSLYVVSZWOQST-KRWDZBQOSA-N 341.838 4.145 0 50 EIAA CC(C)NC(=O)c1cccc(NC(=O)CCc2ccccc2Cl)c1 12138331 AJCNWTYWEXOSPN-UHFFFAOYSA-N 344.842 4.050 0 50 EIAA c1ccc(-c2c[nH]nc2C2CCN(C3Cc4ccccc4C3)CC2)cc1 14997104 YQMVXIRQGNVTPD-UHFFFAOYSA-N 343.474 4.424 0 50 EIAA CN(C)CCN(Cc1ccccc1)Cc1ccccc1C(F)(F)F 22455822 VNVRWPBTEDNFOT-UHFFFAOYSA-N 336.401 4.269 0 50 EIAA Cc1ccccc1-c1ncc(CN2CCC(c3ccncc3)CC2)cn1 72469624 YMKZWOZNARLELR-UHFFFAOYSA-N 344.462 4.227 0 50 EIAA COc1cc2c(cc1CN1CCC[C@H]1c1nc(C(C)C)no1)CCC2 77322003 AQGRQZSUNRNEID-KRWDZBQOSA-N 341.455 4.027 0 50 EIAA COc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1c1ccccc1C)n2C 91951993 RARWLLJSBBGFSY-HXUWFJFHSA-N 348.446 4.473 0 50 EIAA Cc1cc(F)c2c(c1)CCCN2Cc1csc([C@H]2CCCO2)n1 136035338 PEOUYKMKQIQRFJ-MRXNPFEDSA-N 332.444 4.395 0 50 EIAA Cc1cccc(OC2CCN(C3CC(c4ccccc4F)C3)CC2)n1 170595430 ZSOGXRQHRBODAL-UHFFFAOYSA-N 340.442 4.319 0 50 EIAA O=C(NC1CCCCC1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239402918 RGWGQLBFUPUQLE-KHMAMNHCSA-N 330.299 4.291 0 50 EIAA Clc1ccccc1CNc1cc(-c2ccccc2)nc2ncnn12 253492441 PUOFHXHCSKBYQL-UHFFFAOYSA-N 335.798 4.057 0 50 EIAA C[C@H](NC1CCC(C(=O)O)CC1)c1nc(-c2ccccc2)cs1 263403467 IXPBQRROQYNWHY-GRTSSRMGSA-N 330.453 4.104 0 50 EIAA Cc1nc2ccc(NC(=O)NCc3cc(C(C)C)on3)cc2s1 299780850 CHAAJQRMPMEPFO-UHFFFAOYSA-N 330.413 4.038 0 50 EIAA CN(C(=O)c1ccc(-c2nccn2C)cc1)[C@H]1CCCc2ccccc21 426471349 KZOUKVQMLGNPFP-FQEVSTJZSA-N 345.446 4.237 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(OC)cc1C 952965205 SNMMOKUBCMXOBG-LJQANCHMSA-N 326.440 4.402 0 50 EIAA C[C@@H](C(=O)Nc1ccc2c(N(C)C)nccc2c1)c1ccsc1 1460270682 DJTSMKYGAQJDRW-GFCCVEGCSA-N 325.437 4.105 0 50 EIAA Cc1nc2cc(C(=O)Nc3c(C)cnn3C3CCCC3)ccc2s1 1529186061 VJLGDYJPGOGWOT-UHFFFAOYSA-N 340.452 4.477 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCCc1ccc(Cl)cc1)C2 1704339952 RMIODRJYUDUKPC-UYAOXDASSA-N 349.902 4.470 0 50 EIAA CC1(C)CC(=O)c2cnc(SCc3ncoc3C(C)(C)C)nc2C1 2325802962 HRAQXCMSOGYUKS-UHFFFAOYSA-N 345.468 4.210 0 50 EIAA COc1ccc(/C=C/C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 476667 ADGNMTYOBLMDMP-TZWLIRKLSA-N 325.383 4.215 0 50 EIAA COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Br 508834 MJDWYIIOCQNAJQ-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2c1 848948 OEXDDQSHGYFOCH-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cn1 1061525 YIQKOCMUDWGIOR-UHFFFAOYSA-N 332.403 4.251 0 50 EIAA O=C(Nc1ccc(C(=O)OCc2cccc(F)c2)cc1)c1ccccc1 3105528 OFCAPWBNTHJHKI-UHFFFAOYSA-N 349.361 4.435 0 50 EIAA COc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC2(CCCCC2)[C@@]31C 4343071 ZZADIDGAGAJHPR-LJQANCHMSA-N 340.423 4.103 0 50 EIAA COc1cccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 4955915 QMVSIWSXZWDYER-HUUCEWRRSA-N 336.218 4.221 0 50 EIAA Cc1cccc(NC(=O)Nc2ccc(Br)cc2Cl)n1 6715444 DFVPSTDJWVHJCU-UHFFFAOYSA-N 340.608 4.450 0 50 EIAA Clc1ccc(COc2cccc(CNCC3CCNCC3)c2)cc1 10434569 AFCQYUNVNKMGTR-UHFFFAOYSA-N 344.886 4.008 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cn1 11937910 KGMDILVESRNOMI-HXUWFJFHSA-N 337.467 4.230 0 50 EIAA C[C@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1Cc1ccccc1 12383972 FRJMTBCSYDQFLG-HNNXBMFYSA-N 335.451 4.308 0 50 EIAA OC[C@@]1(CCc2ccccc2)CCCN(C/C=C/c2ccccc2)C1 12441524 OQPLGNISNWHIEG-ZCHVWDMZSA-N 335.491 4.407 0 50 EIAA CC[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 13329215 FBOJYYRLMNLVKH-SECBINFHSA-N 329.268 4.263 0 50 EIAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 15069043 GQPOHRVKRPHRGQ-JOCHJYFZSA-N 342.446 4.347 0 50 EIAA Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccccc3Cl)n2)c1 16579168 ZCTFEVRKRHCKEZ-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccccc2Cl)no1 21719102 VCZRBNSQNSFSHD-INIZCTEOSA-N 332.831 4.358 0 50 EIAA Oc1ccc(-c2n[nH]cc2Oc2ccc(Br)cc2)c(O)c1 22204237 OHSIAYJCCBZOGW-UHFFFAOYSA-N 347.168 4.043 0 50 EIAA Cc1ccccc1-c1ncc(-c2nccn2CC[C@@H]2CCCCO2)cn1 71756995 DTRQNSMQXLBSMZ-SFHVURJKSA-N 348.450 4.275 0 50 EIAA O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95359223 MLBPWQLKSFOKRS-YVNCXZRQSA-N 349.478 4.103 0 50 EIAA Cc1ccc(CN(C)C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)o1 194234639 OAYZGIHXWYHRCB-LBPRGKRZSA-N 335.473 4.245 0 50 EIAA COc1cc(CN2CCC(F)(F)CC2)ccc1OCC=C(C)C 216513121 IBOYXOWYCMGFNL-UHFFFAOYSA-N 325.399 4.271 0 50 EIAA Cc1ccc(CN(C)C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)o1 534658138 XSWBXYHRNIZDNN-KRWDZBQOSA-N 329.444 4.302 0 50 EIAA CC(C)c1ccc(CN(C(=O)[C@@H]2CCCCCN2C)C2CC2)cc1 952963502 KQBRMGMAOSPPTD-FQEVSTJZSA-N 328.500 4.175 0 50 EIAA CC(C)C[C@@H](NC1CCN(Cc2ccco2)CC1)c1cccnc1 952970842 BHZMGAXOCHJRHL-HXUWFJFHSA-N 327.472 4.016 0 50 EIAA Nc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cs1 265678 QBSYOVPDGGECIF-UHFFFAOYSA-N 329.812 4.298 0 50 EIAA O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 318893 PNUNTJZTQFVUKJ-UHFFFAOYSA-N 335.734 4.160 0 50 EIAA COc1cc(OC)cc(C(=O)Oc2ccc(Cl)c3cccnc23)c1 1057734 ASHNXNDJSBXIBU-UHFFFAOYSA-N 343.766 4.125 0 50 EIAA COc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c(OC)c1 1071164 CMMXAQWHQSVLEW-SFHVURJKSA-N 333.387 4.331 0 50 EIAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 3832660 LSZOPDZPJRNDGA-UHFFFAOYSA-N 340.448 4.333 0 50 EIAA O[C@](c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl 4099030 NHOWDZOIZKMVAI-QGZVFWFLSA-N 331.202 4.068 0 50 EIAA endogenous,in-man CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC1CCCCC1 4513113 OTOUPRKFQIKNJY-UHFFFAOYSA-N 347.846 4.319 0 50 EIAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1 4865905 DELQTDDPZJQZPD-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA CC(=O)Nc1sc(C)c(-c2ccc(Cl)cc2Cl)c1C(N)=O 13327792 ZBAGIMVODZCROB-UHFFFAOYSA-N 343.235 4.088 0 50 EIAA CC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 13330135 UYMUDKSCWMRETK-OAHLLOKOSA-N 345.798 4.048 0 50 EIAA O=C1CC[C@@H](CCNCc2ccccc2F)N1CCC1=CCCCC1 14994132 LMZBVRYDNILKMW-IBGZPJMESA-N 344.474 4.187 0 50 EIAA Cc1ccc(CNC(=S)N2CCC(Cc3ccccc3)CC2)cc1 17071047 PIPDYRXKDMVRCH-UHFFFAOYSA-N 338.520 4.324 0 50 EIAA Cc1ccccc1Cc1noc(Cn2c(C(C)C)nc3ccccc32)n1 20916601 XVOSXFGDWMLWMR-UHFFFAOYSA-N 346.434 4.490 0 50 EIAA CN(Cc1cc(-c2ccncc2)no1)Cc1ccccc1C(F)(F)F 72165892 CNSFMMHOMAPJJB-UHFFFAOYSA-N 347.340 4.387 0 50 EIAA Cc1ccc2c(C)c(C(=O)N(C/C=C/c3ccccc3)CCO)oc2c1 91535652 NOULJIPRYBEYHJ-RMKNXTFCSA-N 349.430 4.198 0 50 EIAA Cc1nccn1CCN(C)C[C@@H]1CC1(c1ccccc1)c1ccccc1 97604268 FSHQETYHOUTJFD-QFIPXVFZSA-N 345.490 4.130 0 50 EIAA CC(C)(C)OC(=O)NC(C)(C)c1ccc(Br)cc1F 137814437 JXFGCKICKJTRLE-UHFFFAOYSA-N 332.213 4.348 0 50 EIAA CCC(CC)c1cc(CNC(=O)[C@H]2CCCc3c(O)cccc32)on1 190499760 KPOLDLMPIYLEGN-KRWDZBQOSA-N 342.439 4.020 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1csc(C(C)=O)c1 215033959 LAGWWIVNHOJNGS-INIZCTEOSA-N 330.453 4.349 0 50 EIAA CCN(C(=O)CCCCC(=O)O)[C@H](C)c1cccc(C(F)(F)F)c1 263259279 GDDKNJUDVRANBU-GFCCVEGCSA-N 345.361 4.260 0 50 EIAA COc1cc(-c2nc(-c3ccc(F)cc3F)no2)c2ccccc2n1 904805346 DOJOFXMVNICNBB-UHFFFAOYSA-N 339.301 4.239 0 50 EIAA CCc1onc(C)c1NC(=O)N[C@H](C)c1cc(Cl)cc2c1OCC2 930574754 ZQDZUSJJWUDOML-SECBINFHSA-N 349.818 4.016 0 50 EIAA Cc1cc(CC(=O)Nc2cc(Cl)ccc2N2CCC[C@H](C)C2)on1 952866536 BIBAOJCNGHXHBZ-LBPRGKRZSA-N 347.846 4.054 0 50 EIAA O=C(C[C@H](Cc1ccccc1)c1ccco1)N1CC(c2ccncc2)C1 952989845 XQGJHXVTTTVSED-IBGZPJMESA-N 346.430 4.017 0 50 EIAA Oc1cccc(CNCCc2ccccc2C(F)(F)F)c1Cl 1177496379 FMSANRAOZXBFNT-UHFFFAOYSA-N 329.749 4.397 0 50 EIAA COc1ccc([C@H]2CCN(C(=O)NCC(C)(C)C3CC3)[C@H]2C)cc1F 1875358134 KUVDVGVHMNQBIR-BBRMVZONSA-N 348.462 4.158 0 50 EIAA CC(C)CCN(C(=O)c1ccc2nc(N(C)C)oc2c1)C1CCCC1 1875362539 JFJQVCAVXMJJFR-UHFFFAOYSA-N 343.471 4.325 0 50 EIAA O=C(O)[C@@H]1CCC2(CCC2)N(Cc2cnc(-c3ccccc3)s2)C1 2325798357 UVUGWGNRDFSZCS-OAHLLOKOSA-N 342.464 4.029 0 50 EIAA Cc1cccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)n1 459773 OSSDRAKOSZEOMP-UHFFFAOYSA-N 325.195 4.023 0 50 EIAA CCn1c(-c2cccc(COCC(F)(F)C(F)F)c2)n[nH]c1=S 2573483 DAQKBVYNUTUNDT-UHFFFAOYSA-N 349.353 4.045 0 50 EIAA COc1cc(NC(=O)[C@H](C)Oc2cccc(C)c2)c(OC)cc1Cl 2881205 DKMGGPAEKYVIHK-LBPRGKRZSA-N 349.814 4.072 0 50 EIAA Cc1ccccc1OCC(=O)NCCSCc1ccccc1Cl 2983993 HIONWCMOEJSFCQ-UHFFFAOYSA-N 349.883 4.077 0 50 EIAA C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)O)C1 4184633 IJIVRVVHHDLZKV-VIFPVBQESA-N 349.839 4.477 0 50 EIAA CCc1ccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)cc1 4550579 ZALYQQMCEYRQJP-UHFFFAOYSA-N 342.527 4.300 0 50 EIAA C/C=C/c1ccc(OCCCCSc2ncccn2)c(OC)c1 5013384 UALNNEJUSCVERN-XVNBXDOJSA-N 330.453 4.470 0 50 EIAA COc1ccc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)c(F)c1 12714272 UEROROQIZAVJSB-OAHLLOKOSA-N 347.455 4.299 0 50 EIAA CN(Cc1cccs1)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 15007720 LLSCONKCHMITNR-KRWDZBQOSA-N 334.529 4.141 0 50 EIAA CSc1ccc(-c2nc(CN(C)Cc3nccs3)c(C)o2)cc1 15066407 SGRLTYPFQMJGHI-UHFFFAOYSA-N 345.493 4.460 0 50 EIAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccs1 17251888 NPHIRSIMSGIIDK-UHFFFAOYSA-N 335.841 4.096 0 50 EIAA aggregator COc1ccccc1CN1CCN(Cc2cccc3ccccc23)CC1 19841191 ZOCJNYNVLWEANM-UHFFFAOYSA-N 346.474 4.166 0 50 EIAA Cc1ccccc1[C@H](CC(=O)NCc1cccnc1)c1ccccc1 39466329 UBFYVGHXYPPTEQ-OAQYLSRUSA-N 330.431 4.228 0 50 EIAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1ccccn1 55520815 UEYCPDXFWCOGLJ-CQSZACIVSA-N 341.461 4.244 0 50 EIAA FC(F)(F)c1cccc(N2CCN(Cc3cccs3)CC2)c1 55544042 CLONYBRQIBZCAX-UHFFFAOYSA-N 326.387 4.089 0 50 EIAA CNc1ccccc1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65489076 AWFLEZVQNMATES-QFIPXVFZSA-N 348.446 4.199 0 50 EIAA CC1CCN(C(=O)c2cccc(NC(=O)CC3CCCC3)c2)CC1 72115688 YXFCURHZZWPYAQ-UHFFFAOYSA-N 328.456 4.078 0 50 EIAA Fc1ccccc1CN1CCC[C@H](Nc2ccc3ccccc3n2)C1 72425773 GBCSMMWBZLLRPL-SFHVURJKSA-N 335.426 4.450 0 50 EIAA CCc1cc(C(=O)Nc2nn(C)c3cc(OC(C)C)ccc23)cs1 72454428 ALFJKELEWXTOBX-UHFFFAOYSA-N 343.452 4.237 0 50 EIAA c1cnn(CCC2CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)c1 77377761 QMWQINJOVIFOJU-LJQANCHMSA-N 343.471 4.020 0 50 EIAA CCn1ccnc1[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 91452088 BYATUTZXMXUBNJ-HNNXBMFYSA-N 337.389 4.301 0 50 EIAA Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCn3ccnc3C2)cc1 126159085 UNGKANIQHACDIZ-INIZCTEOSA-N 347.418 4.185 0 50 EIAA COc1ccc(-c2nc(NC(=O)C3=C(C)OCCC3)sc2C)cc1 160437813 WSZGGEIVNCQIQS-UHFFFAOYSA-N 344.436 4.150 0 50 EIAA Cc1cc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nc(C2CC2)n1 185848979 RBXGUFVSJVCUDL-INIZCTEOSA-N 347.821 4.033 0 50 EIAA CN(CCSc1ccccc1)C(=O)c1ccc([C@H]2CCCO2)s1 215669725 BDCLOWGXANDSHT-OAHLLOKOSA-N 347.505 4.464 0 50 EIAA CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(C)C)c(C)cc1OC 231423883 INSJVCLZHFTPKU-OAHLLOKOSA-N 339.501 4.080 0 50 EIAA O=C(c1csc(Br)c1)N(CC(F)(F)F)C1CCC1 267404860 SULPFHWHZAPSCU-UHFFFAOYSA-N 342.180 4.068 0 50 EIAA O=C(CCc1ccccn1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 280689598 NEPMCHXGBOHIQF-CZIWCDLHSA-N 348.368 4.095 0 50 EIAA Cc1ccc2c(C)c(C(=O)Nc3ccc4oc(=O)ccc4c3)oc2c1 334162468 OCZFYSDFIGUXJR-UHFFFAOYSA-N 333.343 4.408 0 50 EIAA CC(C)COC[C@@H](NCc1ccnn1C1CCCC1)c1ccco1 449106524 IIYZXJGRJTYVFX-GOSISDBHSA-N 331.460 4.095 0 50 EIAA Cc1ncoc1-c1noc([C@@H]2C[C@H]2c2ccc(Br)cc2)n1 896322386 ZEHMIGLOJIVORX-NWDGAFQWSA-N 346.184 4.067 0 50 EIAA C[C@@]1(Cc2cc(Cl)cs2)CCCN1Cc1cc(C(=O)O)co1 903933549 BRPWMBQDKUQXPO-INIZCTEOSA-N 339.844 4.290 0 50 EIAA CC(C)OCc1noc(CN2Cc3ccccc3-c3ccccc3C2)n1 929478444 CDCSKUVOQPEQHS-UHFFFAOYSA-N 349.434 4.177 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)Nc1cc(C)c2nc(N)sc2c1 952986702 HXONQGSCDUHDKU-UHFFFAOYSA-N 346.481 4.328 0 50 EIAA CCCN(Cc1ccccc1F)C(=O)c1c(C)[nH]c(C(C)=O)c1C 1506396247 DWMOCOKJIBTDBZ-UHFFFAOYSA-N 330.403 4.026 0 50 EIAA c1cn(-c2ccc3c(c2)COC3)c(-c2ccc([C@H]3CCCCO3)o2)n1 1772811035 RWFQXOBROKEXTP-QGZVFWFLSA-N 336.391 4.404 0 50 EIAA O=C1[C@H]2CCCCC[C@@H]2C(=O)N1Cc1ccc(C2CCCC2)cc1 2325864309 LXPGUYIKXPBWLL-OALUTQOASA-N 325.452 4.410 0 50 EIAA COc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 77639 DCERMNHLOSFWMB-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA CC1=CC(C)(C)N(C(=O)CSc2ncccn2)c2ccc(C)cc21 85328 ZPQAYZWUJZKCLN-UHFFFAOYSA-N 339.464 4.106 0 50 EIAA COc1ccc(-c2noc(COc3ccc(Cl)cc3C)n2)cc1 99431 CNABKBWYVYVIJI-UHFFFAOYSA-N 330.771 4.286 0 50 EIAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nccs1 131194 ONARUWLXGWIFQY-DHZHZOJOSA-N 336.416 4.374 0 50 EIAA COc1cccc(-c2cc(C(=O)Nc3ccccc3SC)no2)c1 423697 JCZCHJNFGCTGQF-UHFFFAOYSA-N 340.404 4.324 0 50 EIAA Cn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 2524088 YKOBZDZODXCADE-UHFFFAOYSA-N 347.846 4.491 0 50 EIAA CC1(C)S[C@H](c2cccc(Oc3ccccc3)c2)N[C@H]1C(=O)O 2571056 BBJUNDLJULMHLT-JKSUJKDBSA-N 329.421 4.046 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1 2626097 FCYURHROHKYHLY-UHFFFAOYSA-N 333.265 4.064 0 50 EIAA Cc1cc(NC(=O)COc2ccccc2C)ccc1Br 2639320 HIASVQKNWOHZGK-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(O)c2)on1 3908311 RLWXACXIXAKOTI-UHFFFAOYSA-N 328.755 4.261 0 50 EIAA O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc(F)c1 4247958 JGLGOYBAQXGXRX-UHFFFAOYSA-N 331.350 4.393 0 50 EIAA CCOc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1 14953016 QOXAGLXDLLSOLC-INIZCTEOSA-N 335.451 4.430 0 50 EIAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H](C)CN(C)C(C)C 55255986 OFIDGXWOHNDHHD-MRXNPFEDSA-N 347.503 4.039 0 50 EIAA COc1ccccc1-c1ccc(N[C@@H](C)c2csc(C)n2)nn1 67935216 OIYFAVIWSBYHLZ-NSHDSACASA-N 326.425 4.090 0 50 EIAA c1ccc2c(c1)oc1c(-c3nccn3Cc3ccncn3)cccc12 71440059 PXJDCOQUUWZCBR-UHFFFAOYSA-N 326.359 4.288 0 50 EIAA Cc1ccnc([C@H](Nc2nccc(-c3ccc(C)nc3C)n2)C2CC2)c1 71759682 ICQREOXKRUJJEH-HXUWFJFHSA-N 345.450 4.422 0 50 EIAA Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)nn1 72441891 SFBNTKWKFBRYQY-UHFFFAOYSA-N 341.317 4.108 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N(C)[C@H](C)c3cncs3)c2c1 77515894 LWDITWNNRGBGIB-CYBMUJFWSA-N 339.464 4.395 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)C2(c3ccc(F)cc3)CC2)c(C)s1 91304744 MNECLMFJTOWTBY-NSHDSACASA-N 332.444 4.150 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3ccn(C)n3)oc2c1 91943825 CJGARUOUFVYFBD-QGZVFWFLSA-N 337.423 4.151 0 50 EIAA CCc1oc2ccccc2c1C(=O)Nc1nnc(C(F)(F)F)s1 121892674 CMCRVMYXZVYDEL-UHFFFAOYSA-N 341.314 4.118 0 50 EIAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(-c2ccccc2)nn1 156513573 QNUCZLMIWJTLHR-CVEARBPZSA-N 349.459 4.280 0 50 EIAA Cc1ccc([C@H]2CCCN2C(=O)c2cc(CC(C)C)n[nH]2)cc1C 170594132 LKCZLWWTIJZAID-LJQANCHMSA-N 325.456 4.202 0 50 EIAA Cc1nc(CC(=O)N2CCOc3c2cccc3C(C)(C)C)c(C)s1 242038542 VLXGBMORSNUFQO-UHFFFAOYSA-N 344.480 4.026 0 50 EIAA CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1occc1C(C)C 284251910 PZNHOYPEXWLKAU-UHFFFAOYSA-N 340.423 4.263 0 50 EIAA CCCO[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 299762548 XDASEXCWFKSZNO-CYBMUJFWSA-N 347.846 4.311 0 50 EIAA CCOc1ncccc1NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 432656549 IOKALADYTXWQEK-QGZVFWFLSA-N 337.423 4.239 0 50 EIAA O=C(N[C@H]1CCCc2ccc(F)cc21)c1ncoc1-c1ccccc1 684501154 SKPSRACWUJTQSP-KRWDZBQOSA-N 336.366 4.288 0 50 EIAA C[C@@H](NC(=O)N[C@H](c1ccncc1)C1CC1)c1ccc(F)cc1Cl 895063396 KDCKFDNVDRHYRE-DIFFPNOSSA-N 347.821 4.386 0 50 EIAA COc1ccc2c(c1Cl)[C@@H](NCc1cc(C3CC3)no1)CCC2 903218550 DGHQCWQYEQWRSX-AWEZNQCLSA-N 332.831 4.381 0 50 EIAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CC[C@@H]1c1cccs1 952971648 UVEHPKROCLITAR-CQSZACIVSA-N 348.855 4.012 0 50 EIAA Cc1cc(C)c2c(c1)N(C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1(C)C)CC2 2325829957 WZGPRYQSUUWWSE-ROUUACIJSA-N 344.499 4.358 0 50 EIAA O=C1O[C@@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)O)c2ccccc21 153461 BDWDJDAQUSMMIO-KBPBESRZSA-N 337.158 4.073 0 50 EIAA Nc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 194569 NVVIQGMTHCUMFT-UHFFFAOYSA-N 345.358 4.035 0 50 EIAA Cc1cc2ncn(C(=O)c3c(-c4ccccc4)noc3C)c2cc1C 303348 YBVBVVFVNKLFOQ-UHFFFAOYSA-N 331.375 4.305 0 50 EIAA O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccco1 345150 IGJTYECNPMHUEL-UHFFFAOYSA-N 340.766 4.438 0 50 EIAA O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 442187 OQRMATCKSZYIBL-UHFFFAOYSA-N 335.734 4.160 0 50 EIAA CC[C@H](C)NC(=O)c1ccccc1NC(=S)Nc1ccccc1 471131 LHARHZCZERPTRQ-ZDUSSCGKSA-N 327.453 4.024 0 50 EIAA Cc1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 1180422 BJMHVRJLMUTJFD-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CC(C)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 2774235 XNMGBXAFOMHQPG-UHFFFAOYSA-N 342.870 4.426 0 50 EIAA Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(F)cc1F 3116638 QRKSBELIKLNLNV-UHFFFAOYSA-N 332.331 4.011 0 50 EIAA C[C@H]1C[C@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)CN1C 4011370 STYAGPHRIVPVTJ-UWVAXJGDSA-N 337.463 4.090 0 50 EIAA O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)c1ccccc1 4844818 ULGLZZSWLFMMRZ-JOCHJYFZSA-N 329.443 4.372 0 50 EIAA Cc1cc(NCc2cccnc2)n2nc(C)c(-c3ccc(F)cc3)c2n1 4930075 NHJLQMHGLNWRDN-UHFFFAOYSA-N 347.397 4.159 0 50 EIAA COCCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 10383645 HWYXOCHYQSPBRI-UHFFFAOYSA-N 344.418 4.122 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccccc1 22457677 WKAYDWYKWCGNTM-UHFFFAOYSA-N 342.358 4.051 0 50 EIAA COc1ccc(-n2cnnc2C(c2ccccc2)c2ccccc2)cc1 67879740 CBBPRJFWZLVDFO-UHFFFAOYSA-N 341.414 4.456 0 50 EIAA CC(C)(O)CCc1cccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c1 72410475 DOGWBIWZBRGSLH-IBGZPJMESA-N 341.426 4.116 0 50 EIAA CCCc1oncc1C(=O)N1CCC(Sc2ccccc2C)CC1 77408075 HMFZZGFIRLSAMO-UHFFFAOYSA-N 344.480 4.332 0 50 EIAA Cc1cccc([C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)c1 77517574 SNICEDSHEAWPKS-FQEVSTJZSA-N 345.446 4.201 0 50 EIAA CCN(CCN1CCCCCC1)Cc1ccc([C@@H]2CCCCO2)o1 97324011 XBNPNLBTQFJLSQ-IBGZPJMESA-N 334.504 4.219 0 50 EIAA CC(C)[C@H]1C=CCN1C(=O)Nc1ccc(OCc2ccccn2)cc1 97657392 ANBJIRNMCTXHTI-LJQANCHMSA-N 337.423 4.089 0 50 EIAA Cc1cc2cccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)c2o1 97742996 RFOTYBXHSATAHF-SFHVURJKSA-N 339.366 4.094 0 50 EIAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccc(F)cc1 157007323 NMTCPWBJASHGAZ-PXAZEXFGSA-N 329.419 4.023 0 50 EIAA Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 169760447 SKZDAZOQJWNABQ-SFHVURJKSA-N 347.418 4.331 0 50 EIAA Cc1ccc2c(c1)[C@@H](NC(=O)N1CCn3cccc3[C@H]1C)CCS2 170622308 VQQZRCRMFBIODJ-ZBFHGGJFSA-N 341.480 4.120 0 50 EIAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(c2ccncc2)CC1 192281322 LGPPYRDCOHURDY-UHFFFAOYSA-N 348.368 4.049 0 50 EIAA C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1Cl 237631261 TWCYVCOKCSXSIR-BZNIZROVSA-N 337.250 4.261 0 50 EIAA Cc1scc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1C 273315727 PYIYJGYTCRDEIV-WMZOPIPTSA-N 347.455 4.496 0 50 EIAA Clc1ccccc1-c1ccc(CNCc2cnc3n2CCCC3)o1 376726109 OERHHJXEHMJKKG-UHFFFAOYSA-N 341.842 4.423 0 50 EIAA C[C@@H]1CCN(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccn2)C1 408513137 NFQNNNOMBYWWPJ-GFCCVEGCSA-N 349.356 4.199 0 50 EIAA Cc1cc(F)ccc1[C@H]1CCCN1C(=O)CCc1ccc(O)cc1 456836896 ILSALWDIQGAWOX-LJQANCHMSA-N 327.399 4.136 0 50 EIAA CC[C@H](NC(=O)N(Cc1ccsc1)CC(C)C)c1cccnc1 534653824 SGIQBPGVXVQFDE-KRWDZBQOSA-N 331.485 4.462 0 50 EIAA CC(C)N(C(=O)c1ccccc1-c1csc(C(=O)O)c1)C(C)C 534666281 ISHPZOJAMVGBBV-UHFFFAOYSA-N 331.437 4.372 0 50 EIAA Cc1cccc(CN(Cc2cc(O)nc(C)n2)C2CCCCC2)c1 1529166899 DHLATHFMBQWGTE-UHFFFAOYSA-N 325.456 4.134 0 50 EIAA Cc1nc(-c2ccc3oc(-c4ccccc4)c(CC(=O)O)c3c2)no1 1776111786 PWSPZGJOKJBKHB-UHFFFAOYSA-N 334.331 4.085 0 50 EIAA Cc1ccc(-c2ocnc2C(=O)O[C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 1875293361 NIEZWXFHDCQWMZ-IXDOHACOSA-N 341.407 4.012 0 50 EIAA C[C@@H](c1ccc(F)cc1F)N1CCC(CN)(c2ccccc2)CC1 1875316842 ITNSNQCJRJJALT-HNNXBMFYSA-N 330.422 4.018 0 50 EIAA CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 55081 KSIOYISKYGBKLA-UHFFFAOYSA-N 327.449 4.386 0 50 EIAA Fc1ccccc1Nc1nc(NC[C@H]2CCCO2)c2ccccc2n1 90358 ZGOVASAFQLMKPM-CYBMUJFWSA-N 338.386 4.103 0 50 EIAA CC(C)CN1C(=O)c2ccc(-c3nc4ccccc4s3)cc2C1=O 468273 ZPMNVHLAEKJWKV-UHFFFAOYSA-N 336.416 4.215 0 50 EIAA CC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2OC(F)F)cc1 611898 BIUFMYGQLCCFBN-UHFFFAOYSA-N 334.322 4.443 0 50 EIAA O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccccc1Cl 1183538 ZXAWSCKTCJUXIH-DHDCSXOGSA-N 345.807 4.282 0 50 EIAA Cc1cc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc(C)c1Cl 2674785 ZCYYUSJJSWGWPN-RDJZCZTQSA-N 333.859 4.047 0 50 EIAA CCn1c(Sc2ccc(C=O)o2)nnc1-c1ccc(Cl)cc1 2886337 HJNMJOAAPOHXBP-UHFFFAOYSA-N 333.800 4.175 0 50 EIAA O=C(CCCc1cccs1)N1CCC[C@H](Nc2ccccc2)C1 11844369 OMRKJQQLFSTTOM-KRWDZBQOSA-N 328.481 4.174 0 50 EIAA O=C(C[C@H](c1cccc(O)c1)c1ccccc1O)NC1CCCCC1 12193609 HIHBUXHTWXOKOO-LJQANCHMSA-N 339.435 4.069 0 50 EIAA Cc1ccc2[nH]cc(CCNC(=O)c3ccc(C(F)(F)F)cc3)c2c1 13961461 YLYGUBYYMQZXEX-UHFFFAOYSA-N 346.352 4.468 0 50 EIAA CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)s1 16605483 XFSFIVDWIWJIFN-UHFFFAOYSA-N 342.464 4.189 0 50 EIAA Cc1ccccc1-n1c(/C=C\c2ccccn2)nc2ccccc2c1=O 29589855 MYGZNGAHFWOCLI-YPKPFQOOSA-N 339.398 4.260 0 50 EIAA Cc1nc(SCC(=O)c2ccc(Br)cc2)oc1C 32692628 QQARCHWTQGAVCI-UHFFFAOYSA-N 326.215 4.029 0 50 EIAA CC/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\CCCC(=O)O 34961889 NXFSSCYFERVGJQ-CRSBBVEPSA-N 336.472 4.158 0 50 EIAA in-vitro COc1ccc(-c2ccc(C(=O)Nc3ccccc3F)o2)c(OC)c1 67868338 JULTYTBELLWMMW-UHFFFAOYSA-N 341.338 4.355 0 50 EIAA CCN1C[C@H](c2ccccc2)CC2(CCN(c3nccs3)CC2)C1 91713227 GVEPMESUUMRNRB-GOSISDBHSA-N 341.524 4.239 0 50 EIAA COCCC[C@H]1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 97619154 NSAORUCKFJWZQA-GFCCVEGCSA-N 328.815 4.150 0 50 EIAA O=C(Nc1ccccc1)O[C@@H]1[C@H]2CC[C@H]1[C@@H](N1CCCCC1)CC2 103961281 WALSPJVXZJWMIB-DSLXNQLJSA-N 328.456 4.278 0 50 EIAA CC(C)CCc1nc(Cn2c(C(F)(F)F)csc2=O)cs1 170647396 KYWVIRQDCUMZHU-UHFFFAOYSA-N 336.404 4.022 0 50 EIAA O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCCC[C@H]1c1nccs1 247349473 JPGNXSCXHLUVHX-GUTXKFCHSA-N 348.418 4.279 0 50 EIAA CSCC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cccc1 263587713 KKLHPJJGPLQFFI-CQSZACIVSA-N 326.824 4.214 0 50 EIAA Cc1ccccc1C1CC(N(C(=O)c2ccc(CN)cc2)C2CC2)C1 490855481 XKZHMXXKJNOLRF-UHFFFAOYSA-N 334.463 4.005 0 50 EIAA Cc1ccc(CN(C)C(=O)N[C@H](CC(C)(C)C)c2cccnc2)o1 534658139 XSWBXYHRNIZDNN-QGZVFWFLSA-N 329.444 4.302 0 50 EIAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2ccc3ncccc3c2)c1 952965352 UBQVASRZSGDFHX-CQSZACIVSA-N 345.402 4.002 0 50 EIAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1ccccc1 952968417 GRCRRQLEZLUACP-NRFANRHFSA-N 346.430 4.208 0 50 EIAA Cc1ccccc1N1CCCN(C(=O)CCCc2cccs2)CC1 1506425426 FTVIIURVHIDMFL-UHFFFAOYSA-N 342.508 4.118 0 50 EIAA COc1cc(C)c(NC(=O)Nc2cc(Cl)ncc2C)cc1OC 2325781994 LOTZDERLCFDBGD-UHFFFAOYSA-N 335.791 4.013 0 50 EIAA CC(C)(C)c1cncc(COC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 2325855339 SXIHFCIRHQIXBJ-QGZVFWFLSA-N 345.826 4.079 0 50 EIAA Cc1cc(OCC(=O)Nc2ccc(Cl)cn2)cc(C)c1Cl 170996 BLBIVCQKZWOMQQ-UHFFFAOYSA-N 325.195 4.023 0 50 EIAA Clc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c(Cl)c1 211991 NJMKCXPUQFIAOY-UHFFFAOYSA-N 335.146 4.439 0 50 EIAA O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1 278993 ORUZDJNOPJYODM-UHFFFAOYSA-N 349.209 4.418 0 50 EIAA aggregator O=C(OCc1ccc(Cl)cc1)c1ccc(Br)cc1 572011 WWBPRUVGSGWEJG-UHFFFAOYSA-N 325.589 4.460 0 50 EIAA COc1ccc([C@@H](C)NC(=O)c2csc3ccccc23)cc1OC 1054813 SZYGZRZBEOZVDK-GFCCVEGCSA-N 341.432 4.410 0 50 EIAA OCc1cn(-c2ccccc2F)nc1-c1ccc(Cl)cc1Cl 2544980 BCNGYIKQFDSEID-UHFFFAOYSA-N 337.181 4.478 0 50 EIAA O=Cc1cccc(C=O)c1-c1cccc(-c2c(C=O)cccc2C=O)c1 3122430 HVCRKSWCOIJOCC-UHFFFAOYSA-N 342.350 4.271 0 50 EIAA COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 4810653 WNSYXDOXHRHEDE-UHFFFAOYSA-N 341.304 4.424 0 50 EIAA COc1ccc(OC)c([C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 5028117 JSCVHYBJWHGSCM-BUBBNXEVSA-N 343.467 4.097 0 50 EIAA Fc1ccccc1CSCc1nnc(S)n1-c1ccccc1F 17072573 BDRXJNSTGUFFMQ-UHFFFAOYSA-N 349.431 4.268 0 50 EIAA c1ccc2c(CNc3ccc(CNc4ncn[nH]4)cc3)cccc2c1 18173125 VEROXRHTGXSPLU-UHFFFAOYSA-N 329.407 4.182 0 50 EIAA aggregator COc1cccc(CN2CCC3(C=Cc4ccccc43)CC2)c1OC 23279612 FVQRRUQETPMVPX-UHFFFAOYSA-N 335.447 4.264 0 50 EIAA O=C(NCc1ccncc1)c1ccc(-c2ccccc2Cl)s1 40287627 PPNDFVHVWMVCJJ-UHFFFAOYSA-N 328.824 4.394 0 50 EIAA C[C@@H](c1nccs1)N(C)C(=O)c1cccc(-c2ccc(O)cc2)c1 55308774 AMAWKRPAMGECOJ-ZDUSSCGKSA-N 338.432 4.349 0 50 EIAA Cc1ncsc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71753438 HIAAXFQAFFGUFQ-OAHLLOKOSA-N 332.444 4.076 0 50 EIAA CC[C@H](Nc1cc(-c2ccccc2F)nc2ccnn12)c1cccnc1 72409826 SQKXZTYVVAUAJV-KRWDZBQOSA-N 347.397 4.494 0 50 EIAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccco2)cc1 82106836 CEXRSTTVNNUJFW-SFHVURJKSA-N 327.424 4.368 0 50 EIAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CC(c2cccnc2)C1 91665206 SFCDBAQHSQILOM-UHFFFAOYSA-N 338.794 4.235 0 50 EIAA O=C(C[C@@H]1C=CCC1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 115258357 OTWZTYGXHUDJRC-GYCJOSAFSA-N 339.460 4.289 0 50 EIAA Cc1cc(F)ccc1Nc1ncncc1-c1nc(-c2ccccc2)no1 169775578 NTVQLSNUFGUQKV-UHFFFAOYSA-N 347.353 4.385 0 50 EIAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)c2c1 170594097 DZLHNPQLGRZTNH-LJQANCHMSA-N 333.435 4.465 0 50 EIAA Cc1nc(CNC(=O)c2cccc3c4c([nH]c23)CCCC4)sc1C 175331633 RODDXZRXBKADMZ-UHFFFAOYSA-N 339.464 4.050 0 50 EIAA Cc1cnccc1CNC(=O)Nc1ccccc1N(C)C1CCCC1 189153441 KUDQRDOTKHHYPV-UHFFFAOYSA-N 338.455 4.091 0 50 EIAA O=C(Cc1ccc(Cl)s1)N1CCCC[C@@H]1c1nccs1 193703378 DPYNUXWYSUBOEA-LLVKDONJSA-N 326.874 4.154 0 50 EIAA C[C@H]1CN(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)CCCO1 933829340 KYUKMFCTDJHOMR-HNNXBMFYSA-N 349.434 4.478 0 50 EIAA COc1ccc([C@H](C)N(C)Cc2ccc3cccc(OC)c3n2)cc1 952962215 AYUNKOYYHQGTOX-HNNXBMFYSA-N 336.435 4.445 0 50 EIAA Cc1ccc(CN(Cc2ccncc2)C(=O)c2csc(C)n2)s1 952972861 RHFTZMFJRDSMGI-UHFFFAOYSA-N 343.477 4.059 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)CCc2ccncc2)CC1 952984610 XJCJGLVWKUQGJN-UHFFFAOYSA-N 340.492 4.106 0 50 EIAA CC[C@H](C)c1ccc(NC(=O)CSc2ccccc2C(N)=O)cc1 1875257155 DAFVMJASIWAOQY-ZDUSSCGKSA-N 342.464 4.030 0 50 EIAA CCOC(=O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1 101381 GWSDIPFWSJEMSS-UHFFFAOYSA-N 333.387 4.373 0 50 EIAA COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 119779 CHDODAJYQOTMTK-LLVKDONJSA-N 339.313 4.120 0 50 EIAA COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1 181806 ZLCNOHLVXBULKF-UHFFFAOYSA-N 331.415 4.144 0 50 EIAA COC(=O)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 357617 KQHDMLHOFWKRLZ-SDNWHVSQSA-N 331.371 4.278 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Sc2ccc(OC)cc2)cc1 400247 IZISQWSTZNSJBP-UHFFFAOYSA-N 331.393 4.196 0 50 EIAA O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccc(Cl)c1 411872 MLKPPEFYGVDLOC-UHFFFAOYSA-N 345.811 4.121 0 50 EIAA CCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1OC 444609 PYZYJMONWSSPIF-QIYIKKHUSA-N 349.386 4.104 0 50 EIAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 476205 BEYISCHWJGKFML-UHFFFAOYSA-N 339.178 4.409 0 50 EIAA COc1ccc(-c2csc3nc(C(C)(C)C)oc(=O)c23)cc1OC 517040 LIUIVYXPPKWEBU-UHFFFAOYSA-N 345.420 4.231 0 50 EIAA O=C(Nc1cccc2nc(C(F)(F)F)[nH]c12)c1cccc(Cl)c1 1432823 HZMDXCFPLOZCEB-UHFFFAOYSA-N 339.704 4.487 0 50 EIAA COc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)cc1 3612602 FJCQKMWHKAZJLF-CYBMUJFWSA-N 335.407 4.328 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 4031682 XTKJYDOPEXYYCX-UHFFFAOYSA-N 347.411 4.195 0 50 EIAA CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCCC2 4894645 FMUVDYOLQQSLTB-UHFFFAOYSA-N 349.374 4.085 0 50 EIAA Cc1cnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 7800825 BNSIHWPDNJNSLJ-QMMMGPOBSA-N 331.224 4.164 0 50 EIAA C[C@H](CCCC(C)(C)O)NC1CCN(c2ccccc2Cl)CC1 32541405 AZVWGGBMDDNTPV-OAHLLOKOSA-N 338.923 4.228 0 50 EIAA COc1ccccc1CN(C(=O)c1cccc2cccnc12)C1CC1 55227034 VSIBOLNEWRZBHL-UHFFFAOYSA-N 332.403 4.048 0 50 EIAA O=C(NCc1ccc(-n2ccnc2)cc1)C1(c2ccccc2)CCCC1 71385183 VVKJQHFOBDWNCZ-UHFFFAOYSA-N 345.446 4.001 0 50 EIAA O=C(c1cc(C2CC2)on1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71767910 RZUMTVZFDIQFNF-OAHLLOKOSA-N 342.414 4.176 0 50 EIAA CC[C@@H](c1cccnc1)N(C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 91706636 BRZXVUCDZWCHHC-KRWDZBQOSA-N 341.842 4.160 0 50 EIAA O=C(c1cccnc1)N1CCCC(c2ccccc2)(c2ccccc2)C1 95516317 HAADWMZAKOSTHF-UHFFFAOYSA-N 342.442 4.304 0 50 EIAA CC1(C23C[C@H]4C[C@@H](CC(N5C(=O)c6ccccc6C5=O)(C4)C2)C3)CC1 100099660 GZLUEKJPEODFLD-ZNAOMFPMSA-N 335.447 4.422 0 50 EIAA Cc1ocnc1C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 124287442 PMGVPUUALPVCMD-UHFFFAOYSA-N 347.418 4.040 0 50 EIAA OC[C@@H]1CCCC[C@@H]1Nc1ncnc2sc(-c3ccccc3)cc12 170636476 NLCLRTRBEQXZQN-HOCLYGCPSA-N 339.464 4.321 0 50 EIAA CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ncncc1Cl 177688300 MOISAITZAVFBCS-HNNXBMFYSA-N 347.846 4.046 0 50 EIAA CC(C)=CCC[C@H](C)CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 257370771 LWGWUPUIDWATSH-OTWHNJEPSA-N 328.500 4.040 0 50 EIAA CC(C)COc1ccccc1-c1c[nH]c(C(=O)N2CCCCC2)c1 426511497 AFAQERICECBDQX-UHFFFAOYSA-N 326.440 4.343 0 50 EIAA CC1(C)CN(Cc2ccc3oc(C(=O)O)cc3c2)CCc2ccccc21 656758900 PGAHCXZDZLMZND-UHFFFAOYSA-N 349.430 4.467 0 50 EIAA CCc1ccc(-c2nccn2CC[C@@H]2CCCN3CCCC[C@H]23)nc1 1857677580 INFJKBCGRPCPDK-AZUAARDMSA-N 338.499 4.162 0 50 EIAA C[C@H](CNC(=O)c1cc(Cl)nc(Cl)c1)c1cccc(F)c1 1875365006 FUOAOPGHBNMLTM-SECBINFHSA-N 327.186 4.061 0 50 EIAA COc1ccc([C@@H]2CCCC[C@H](OC(=O)c3cncs3)C2)cc1 2325745676 YTNZQFCLLIFASA-ZBFHGGJFSA-N 331.437 4.425 0 50 EIAA O=C(OCCc1ccccc1OC(F)(F)F)c1cc2occc2[nH]1 2325864974 HTVFANQKTXHEIB-UHFFFAOYSA-N 339.269 4.059 0 50 EIAA COc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 196442 BBNNTMCIJDDFPH-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA CC[C@H](C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 206254 ICKUJBPPTAGAHH-JTQLQIEISA-N 349.228 4.316 0 50 EIAA C[C@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 319314 ABTVTSYAKHYCEF-MRXNPFEDSA-N 342.870 4.182 0 50 EIAA CCCn1nc(C)c2c(NCCN(CC)CC)c3ccccc3nc21 392085 YVLYLZZGZQOOMV-UHFFFAOYSA-N 339.487 4.057 0 50 EIAA COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 432130 UXROLCNQKSZJQK-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccc(NC(=O)COc2ccc(Br)cc2)c(C)c1 442148 VYRMFLIPPMASBB-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA COc1cc(NC(=O)/C=C/c2ccc(C)cc2)c(OC)cc1Cl 442429 IYZFNAUVIMQLIF-CMDGGOBGSA-N 331.799 4.318 0 50 EIAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 455671 RLGSPYWWWGAYFM-NSHDSACASA-N 346.427 4.172 0 50 EIAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)cc1Cl 456919 GARWPBXZEATOHW-GQCTYLIASA-N 341.219 4.113 0 50 EIAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccnc1 557976 LDOMBYCGCPMGOO-UHFFFAOYSA-N 349.356 4.343 0 50 EIAA C=C1C[C@H]2[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@]3(O)C(C)=O)[C@]2(C)CCC(=O)C=C12 4011609 JKPFAFOFFYRBDB-HCWGXPEJSA-N 342.479 4.005 0 50 EIAA COc1ccc(CN(Cc2ccccn2)CC(C)C)c(Cl)c1O 55344504 FZDUAILPMGAQLO-UHFFFAOYSA-N 334.847 4.107 0 50 EIAA CCCCc1ccc(-n2cc(CN(C)[C@H](C)c3ccncn3)cn2)cc1 63868308 GMSZETFDODLFNP-QGZVFWFLSA-N 349.482 4.198 0 50 EIAA COc1ccc(C(C)C)cc1[C@@H]1CC(=O)Nc2c1cnn2CC(C)C 65371873 PTXPHZLEVQUIBE-HNNXBMFYSA-N 341.455 4.145 0 50 EIAA CCC[C@H](C)N(CC)Cc1ccccc1-c1nc(C2CC2)cc(=O)[nH]1 67641841 CFWQDTGAGGXALV-HNNXBMFYSA-N 339.483 4.325 0 50 EIAA Cc1cc(C)n(CCCn2cc(-c3cccc4ccccc34)nn2)n1 67947721 QEGGUXFIPAGVSW-UHFFFAOYSA-N 331.423 4.002 0 50 EIAA Clc1ccccc1C1(c2ccnc(-c3ccccc3)n2)CCNCC1 72463853 DMQQGLJQVCHIOS-UHFFFAOYSA-N 349.865 4.467 0 50 EIAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 77520227 GGSSTRZHJFKKJX-GOSISDBHSA-N 343.446 4.218 0 50 EIAA O=C1CSc2ccccc2N1Cc1cncn1C1CCCCC1 95360607 KOBOCPZDFZCADI-UHFFFAOYSA-N 327.453 4.027 0 50 EIAA CCc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 101894118 MYEVXXUPFCMRBN-JYAXBFRTSA-N 347.458 4.431 0 50 EIAA C1=C[C@H]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1 169817502 SHHIQDXWGMPYFB-DEOSSOPVSA-N 340.542 4.267 0 50 EIAA CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc([C@H]2CCOC2)c1 341754649 AYUIWVJCXOBDRX-PMACEKPBSA-N 338.451 4.199 0 50 EIAA Cc1cc(Cl)c2ccccc2c1NC(=O)N1CC[C@@](C)(C(=O)O)C1 417793383 OWSDNUHCWBIHHR-GOSISDBHSA-N 346.814 4.130 0 50 EIAA Fc1cc(Cl)cnc1N[C@@H]1CCCN(Cc2cccs2)C1 1529166949 FQFAKHQTSHKRHU-GFCCVEGCSA-N 325.840 4.012 0 50 EIAA O[C@@]1(Cc2ccccc2)CCN(c2ccnc3cc(Cl)ccc23)C1 1875262589 WUWGJWDGRRYJSP-HXUWFJFHSA-N 338.838 4.072 0 50 EIAA C[C@H]1CC[C@@](C(=O)O)(n2cc(-c3ccccc3)cn2)Cc2ccccc21 1875332093 LSTFAVIECGJCQC-KSFYIVLOSA-N 346.430 4.470 0 50 EIAA CC(C)(C)c1cncc(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 2325855338 SXIHFCIRHQIXBJ-KRWDZBQOSA-N 345.826 4.079 0 50 EIAA C[C@@H](c1cccc(-c2ccc(CN(C)C)cc2CO)c1)N1CCCC1 2356158748 XXJUNLBTAOGYLL-KRWDZBQOSA-N 338.495 4.064 0 50 EIAA CC(C)c1nc(CN(C)C(=O)c2cccc3ncsc23)cs1 2356159691 NBQBBHHIOQPVJU-UHFFFAOYSA-N 331.466 4.148 0 50 EIAA O=C(O)c1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 38685 GSVWKNUFLUTEKV-UHFFFAOYSA-N 332.359 4.381 0 50 EIAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 218567 PYRMBEYIXOHDAN-UHFFFAOYSA-N 325.151 4.366 0 50 EIAA COc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1Cl 328734 WYBLUOWMPSRKPA-UHFFFAOYSA-N 348.855 4.092 0 50 EIAA COc1ccc2c(c1OC)C(=O)N(c1ccc(Cl)c(Cl)c1)C2 434147 WDZXWFAIBXVKSD-UHFFFAOYSA-N 338.190 4.171 0 50 EIAA CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 447925 AQNOTRVKVOGVPN-UHFFFAOYSA-N 330.815 4.121 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)cc1)c1cccc(Cl)c1 452000 PLJJSLDMQXVPJE-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA Cc1ccnc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 472388 NGICORMPCLTFAE-UHFFFAOYSA-N 336.391 4.033 0 50 EIAA Cc1cccc(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)c1 615536 NYLIKEVIFIQBBU-QGZVFWFLSA-N 344.414 4.140 0 50 EIAA CC[C@H]1CCCCN1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 4159474 BKXIJSTVKQIFLU-URANKQGBSA-N 349.559 4.235 0 50 EIAA CC(C)C(=O)N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 5003582 DEGKDJCCWJESHX-LLVKDONJSA-N 345.053 4.187 0 50 EIAA Cc1oc(-c2cc(F)ccc2F)nc1CN(C)Cc1nccs1 12573787 LJNLUXVUENIDFT-UHFFFAOYSA-N 335.379 4.017 0 50 EIAA C/C(=C\c1ccco1)CN(C)CC1CCN(Cc2ccc(C)o2)CC1 14971203 IUGQCJQXBDDKBQ-GHRIWEEISA-N 342.483 4.428 0 50 EIAA CCCC(CCC)C(=O)Nc1c2c(nc3ccccc13)N(C)CC2 19334712 SAMLUTNTULIRNA-UHFFFAOYSA-N 325.456 4.382 0 50 EIAA biogenic CCCCc1cc(=O)[nH]c(-c2ccccc2CN(CC)C(C)C)n1 48159273 MGEAYPFOEBLHQX-UHFFFAOYSA-N 327.472 4.010 0 50 EIAA c1ccc([C@@H](Cn2ccnc2-c2ccncc2)N2CCCCC2)cc1 71757032 YKMGUWHNOMJVBX-HXUWFJFHSA-N 332.451 4.172 0 50 EIAA C[C@@H](NC(=O)OCc1ccccc1)c1ccc(Br)cc1 95495749 BVJWRQFRIPSXMB-GFCCVEGCSA-N 334.213 4.437 0 50 EIAA in-vitro C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 263292241 MHQLMSHDTXTUKU-WCQGTBRESA-N 344.238 4.014 0 50 EIAA O=C(CC1CCC2(CC1)OCCO2)N1CCCC[C@H]1c1ccccc1 276495271 WLDCMAQBYWOPAB-IBGZPJMESA-N 343.467 4.064 0 50 EIAA O=C(c1snc(O)c1Cl)N1CCC[C@H]1CC1CCCCC1 328751230 CIRBTMUXVCOJDB-NSHDSACASA-N 328.865 4.077 0 50 EIAA CC1(C)CCC[C@@H](OC(=O)c2ccc(Oc3ccccc3)cn2)C1=O 840546193 DLKMAMVFNXHEPT-QGZVFWFLSA-N 339.391 4.179 0 50 EIAA O=C(Nc1ccccc1N1CCCCC1)N1CCC(=C(F)F)CC1 888095878 JIPHXAUIXOZVDB-UHFFFAOYSA-N 335.398 4.455 0 50 EIAA COc1ccccc1-c1ccnc(NC(=O)[C@@H]2CCC=CCCC2)n1 906110389 XBVPHLTUHXCKTC-OAHLLOKOSA-N 337.423 4.227 0 50 EIAA CCCN(Cc1n[nH]c2c1COCC2)[C@H](C)c1cc2ccccc2o1 929333206 NQBOPLDYHBMKNW-CQSZACIVSA-N 339.439 4.202 0 50 EIAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1oc2ccccc2c1C 1857674978 GIKVWBRLJMWSDZ-NYSBEXSLSA-N 341.451 4.437 0 50 EIAA Clc1ccc(-c2cc(CNCc3cccc4c3OCC4)on2)cc1 2325849253 JNSLGGUQJSHDRH-UHFFFAOYSA-N 340.810 4.220 0 50 EIAA CCC1CCC(NC(=O)c2ccc3ccccc3c2F)(C(=O)O)CC1 2325868723 IBSRWKCXTFWECM-UHFFFAOYSA-N 343.398 4.132 0 50 EIAA COc1ccc(-c2onc(NCCC3CCCC3)c2C(=O)O)cc1 2356157792 QWWUBHNTNFEDRD-UHFFFAOYSA-N 330.384 4.041 0 50 EIAA O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1 160545 BOSXNAOMQROTFG-UHFFFAOYSA-N 346.411 4.008 0 50 EIAA CC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 358630 MGWAYQGFHZALKW-UHFFFAOYSA-N 332.197 4.212 0 50 EIAA CCc1c(C)sc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1 374602 ZNHXTNWBZDMBFS-UHFFFAOYSA-N 328.359 4.472 0 50 EIAA Nc1c([S@](=O)Cc2ccccc2)sc2nc3c(cc12)CCCC3 441926 GOLZGMWGXLPYNI-QHCPKHFHSA-N 342.489 4.065 0 50 EIAA Cc1cc(C)nc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 4143029 FZBFKPLJBKXMHI-APHBMKBZSA-N 336.501 4.190 0 50 EIAA COc1ccc(-c2noc([C@@H](C)Oc3ccc(C)cc3)n2)cc1OC 4433151 SBNIKKQKIMKOOP-CYBMUJFWSA-N 340.379 4.202 0 50 EIAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 12380872 BCBKLVQGVPODDA-CQSZACIVSA-N 348.402 4.204 0 50 EIAA CC(C)(C)CC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 12381416 FXFNECFKVCQDBF-UHFFFAOYSA-N 343.298 4.074 0 50 EIAA Cn1cc(C(=O)Cc2ccccc2)cc1-c1nc2ccccc2n1C 15821796 CXHMWKDGBLDZNJ-UHFFFAOYSA-N 329.403 4.004 0 50 EIAA O=C(NCc1csc2c1CCCC2)c1ccc([C@@H]2CCCO2)s1 91894528 XHLJEEPHBFJHIF-AWEZNQCLSA-N 347.505 4.470 0 50 EIAA CC(C)[C@@H]1CN(C(=O)c2cccc(-c3ccccc3)c2)C[C@H]1N(C)C 95371277 SPRURVOCKJMDLH-LEWJYISDSA-N 336.479 4.012 0 50 EIAA O=C(Nc1ccnc(Br)c1)c1c(Cl)cccc1Cl 95698497 NTNKCFPYYPNMJN-UHFFFAOYSA-N 346.011 4.403 0 50 EIAA Cc1csc(N(C)C(=O)c2cc(Cl)ccc2Br)n1 133632323 SNHNJSPRJNQOAK-UHFFFAOYSA-N 345.649 4.144 0 50 EIAA CSc1cccc(F)c1C(=O)N1CCC(OC2CCCC2)CC1 253398611 CWYSOZXTQBEHPF-UHFFFAOYSA-N 337.460 4.111 0 50 EIAA CC(C)Cn1ncc(NC(=O)N2CCc3ccccc3C2)c1C(F)F 332158704 NCIHJBSBWBBGRQ-UHFFFAOYSA-N 348.397 4.067 0 50 EIAA Cc1nc2ccccc2nc1CN[C@H](c1ccccc1)C1CCOCC1 362254435 INDNNMOCBZAHEY-JOCHJYFZSA-N 347.462 4.196 0 50 EIAA Cc1cc(NC(=O)Cc2nc([C@@H]3C[C@H]3C)no2)c(Cl)cc1C1CC1 1875405768 OBFQSASUOGVEKT-NOZJJQNGSA-N 345.830 4.213 0 50 EIAA CCN1CCN=C1NCc1cccc(Oc2ccc3ccccc3c2)c1 2325863346 FVIILLIDBPQSGN-UHFFFAOYSA-N 345.446 4.413 0 50 EIAA COc1ccc(CNc2ccc(Br)c(C)c2)c(OC)c1 263116 VTAMJNMOJJZDRY-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 3145177 GRRYGPYATNGHAZ-UHFFFAOYSA-N 337.444 4.063 0 50 EIAA CCc1c(C)sc2[nH]c(=S)n(Cc3ccccc3OC)c(=O)c12 6621400 NKFHJQWWNJBXBX-UHFFFAOYSA-N 346.477 4.048 0 50 EIAA Cc1ccc(-n2nnc(-c3nnc(-c4ccccc4C)o3)c2C)c(C)c1 11692831 AUOIMMRDANCPJA-UHFFFAOYSA-N 345.406 4.218 0 50 EIAA Cc1nc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)sc1C 11907380 REQUOLXWPKHQJD-GFCCVEGCSA-N 343.477 4.427 0 50 EIAA C[C@@H]1CCCCN1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 17072489 JSOFIFDVNUWEDR-CYBMUJFWSA-N 348.903 4.156 0 50 EIAA CCOC(=O)[C@@H](C)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39433149 XKTOWUXTSFHYKE-SSDOTTSWSA-N 330.224 4.055 0 50 EIAA CC[C@H](C)N(Cc1ccncc1)Cc1c(C)nc2ccc(Cl)cn12 55099257 JVAQTNGDMFPCRK-AWEZNQCLSA-N 342.874 4.492 0 50 EIAA Cc1cc2ccccc2nc1Oc1ccccc1CN1CCN(C)CC1 67754932 CEIGNHHZKLRLHA-UHFFFAOYSA-N 347.462 4.083 0 50 EIAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 72148747 BCTPNHAYGDHQMF-KRWDZBQOSA-N 346.862 4.322 0 50 EIAA Cc1nc2cc(C(=O)N(C)Cc3cccc4ncccc34)ccc2s1 77343147 QBLLBHVTKYUKDG-UHFFFAOYSA-N 347.443 4.425 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)cs1 77459699 WIRBXUGEFBTBMA-QGZVFWFLSA-N 341.476 4.111 0 50 EIAA c1ccc(COc2ccc(-c3noc([C@H]4CCCOC4)n3)cc2)cc1 113718189 YADKMUHPZREUMG-KRWDZBQOSA-N 336.391 4.210 0 50 EIAA O=C(O)c1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)o1 180134980 YVIDAVCYSXOLAM-UHFFFAOYSA-N 331.393 4.265 0 50 EIAA Fc1ccc(-n2cc(CN3CCCC[C@H]3c3cccnc3)cn2)cc1 215144637 FODYPYXQIVPOBF-FQEVSTJZSA-N 336.414 4.134 0 50 EIAA COCCN(Cc1ccc(-c2ccccc2)s1)C[C@H]1CCCO1 216149536 XXUZWRAKBVIFCR-QGZVFWFLSA-N 331.481 4.043 0 50 EIAA Cc1nc(CO[C@H]2CCN([C@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 225401019 GLUPPYLBLSRCQS-DOMZBBRYSA-N 349.500 4.089 0 50 EIAA CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H](C)c1c(C)noc1C 225697610 IPTGDQPWUHLVSB-VXGBXAGGSA-N 347.484 4.177 0 50 EIAA Fc1cccc(F)c1CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 247560348 YQXOABLFXYUKNB-VQTJNVASSA-N 334.454 4.194 0 50 EIAA O=C(NCCOc1ccccc1F)N1CCCCC[C@@H]1c1ccco1 426597369 GMIITBAJTAANRI-MRXNPFEDSA-N 346.402 4.124 0 50 EIAA CCN(Cc1ccncc1)C(=O)NCCCSc1ccc(C)cc1 584890390 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CCCc1nc(C(=O)N(C/C=C/c2ccccc2)C2CC2)cs1 91594566 OJUPLAQMHCCBCL-UXBLZVDNSA-N 326.465 4.414 0 50 EIAA CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)n(C)n1 91915499 HJIPUNBUXLRNLM-SFHVURJKSA-N 343.446 4.440 0 50 EIAA CCOc1ccccc1OCCNCCCC1=CCc2ccccc21 96027325 OZVJABFRTRQAGW-UHFFFAOYSA-N 337.463 4.474 0 50 EIAA CCN(C(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCOC(C)(C)C1 97574884 UHAONQQLTYUBGO-CYBMUJFWSA-N 340.851 4.160 0 50 EIAA O=C(Cn1ccc2ccccc21)N[C@@H]1CCCc2c1[nH]c1ccccc21 170622112 HJCDDLIVGFYOCG-LJQANCHMSA-N 343.430 4.316 0 50 EIAA O=C(Nc1ccccc1)c1ccccc1OCc1ccc(CO)cc1 179977669 ZTKCIBXUHAGHLE-UHFFFAOYSA-N 333.387 4.010 0 50 EIAA Cc1cc(C)n2ncc(CN3CCC[C@H](c4ccccc4C)C3)c2n1 216499529 SJMXBLOJSICKPF-SFHVURJKSA-N 334.467 4.034 0 50 EIAA Cc1ccc(C)c(OCc2nnc(S[C@H]3C[C@H](C)O[C@H](C)C3)o2)c1 252477331 MEYGHLNDSZQLEB-QDMKHBRRSA-N 348.468 4.314 0 50 EIAA FC(F)(F)c1ccccc1C1=CCN(c2ncnc3[nH]ccc23)CC1 477150637 JHFDUNUXOGUQAG-UHFFFAOYSA-N 344.340 4.270 0 50 EIAA COC(C)(C)CCNC(=O)CCc1ccc(-c2ccc(Cl)cc2)[nH]1 670466660 PMCOEWAUCKTVAU-UHFFFAOYSA-N 348.874 4.199 0 50 EIAA O=C(O)COc1cccc(/C=C(\Cl)c2nc3cc(F)ccc3o2)c1 756789288 WTWPGZLTLKBYHP-QPEQYQDCSA-N 347.729 4.167 0 50 EIAA Cc1oc(C(C)(C)C)cc1CNc1cc([C@@H]2CCCOC2)nn1C 894125434 DERRSBPYFHLPTJ-CQSZACIVSA-N 331.460 4.125 0 50 EIAA O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cncn1-c1ccc(F)cc1 2325854417 CWUAKOJDEYJNGP-OALUTQOASA-N 349.409 4.078 0 50 EIAA Cc1c(CN2CCC[C@@]23CCCN(C(C)C)C3=O)oc2ccccc12 2356162839 MKEPKMLHJSIBMM-NRFANRHFSA-N 340.467 4.107 0 50 EIAA CCn1ccc2cc(CN3CCC(OC(F)(F)F)CC3)ccc21 2356163860 UMOYXHSPNXINMB-UHFFFAOYSA-N 326.362 4.162 0 50 EIAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 93488 IGZOQWPPTMEPEX-UHFFFAOYSA-N 331.746 4.488 0 50 EIAA CCOc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)cc1 451089 GBAFKCXRHOQEBZ-LBPRGKRZSA-N 348.240 4.339 0 50 EIAA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1nccs1 621214 HFHKEJZYVCJVJO-UHFFFAOYSA-N 337.615 4.121 0 50 EIAA O=C(NCC(=O)c1ccccc1)/C(=C/c1cccs1)c1ccccc1 1399022 DAUGIDZPPQOTAK-XMHGGMMESA-N 347.439 4.288 0 50 EIAA c1ccc([C@H](CCNCc2ccc3c(c2)OCO3)c2ccco2)cc1 1788854 BTMQQUHOGLPASQ-SFHVURJKSA-N 335.403 4.320 0 50 EIAA biogenic C[C@@H]1CCCCN1CCCNC(=O)Nc1cccc(Cl)c1Cl 2171976 XGLKWQDIKWHKBO-GFCCVEGCSA-N 344.286 4.379 0 50 EIAA CC(C)CCN1C(=O)c2ccc(-c3nc4ccccc4o3)cc2C1=O 2862818 FEUDUAYYYHVDHQ-UHFFFAOYSA-N 334.375 4.137 0 50 EIAA O=C(Nc1c(F)cccc1F)c1ccc(CN2CCCCC2)cc1 10330150 PFXUOYBBMFFFJS-UHFFFAOYSA-N 330.378 4.203 0 50 EIAA CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(C)cc1 14897428 VBCUEKRRLMVFEB-HXUWFJFHSA-N 333.435 4.076 0 50 EIAA FC(F)(F)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1 19537111 VIMAQBCJLIBRPN-UHFFFAOYSA-N 334.385 4.023 0 50 EIAA COc1ccccc1-c1nc2c(OC)cccc2cc1Cn1cccn1 20514327 YCHKPEQHBARTJQ-UHFFFAOYSA-N 345.402 4.164 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)Nc1cccc(CN2CCCC2)c1 46747701 SSJRFFADNXDKOY-UHFFFAOYSA-N 343.496 4.423 0 50 EIAA Oc1ccc(-c2ccc(-c3nc(-c4ccccc4F)no3)cn2)cc1 72129249 VXLLMBVVTUURNE-UHFFFAOYSA-N 333.322 4.310 0 50 EIAA Cc1ccc([C@H](CCO)Nc2cc(C(C)C)nc3cc(C)nn23)cc1 72433599 QDYWEYDIXVXKAS-KRWDZBQOSA-N 338.455 4.005 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N(C)CC[C@@H](C)N3CCCC3)[nH]c12 91695441 HOCXGCVZFARXDG-MRXNPFEDSA-N 341.499 4.040 0 50 EIAA O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1CCCCCC1 95372083 BRTHTIMXCYXDHK-UHFFFAOYSA-N 337.398 4.157 0 50 EIAA CCC[C@H](C)NC(=O)Nc1ccc(OCCc2ccccn2)cc1 96133723 OWHGYHUMOMQGDE-HNNXBMFYSA-N 327.428 4.013 0 50 EIAA Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(C(C)C)n(C)n2)c1 122480735 ITGAFKPAENKMNK-SFHVURJKSA-N 325.456 4.138 0 50 EIAA Cc1nc(N2CCCC2)ccc1NC(=O)c1cc2ccccc2s1 159564175 OSPRADCGZZJGRQ-UHFFFAOYSA-N 337.448 4.457 0 50 EIAA Cc1n[nH]c(C)c1CCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 171386615 LGGNEJNGIBHKJZ-FQEVSTJZSA-N 337.467 4.028 0 50 EIAA Cc1nc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)nc2ccccc12 190161279 BRVSYUPFDVJHLT-HNNXBMFYSA-N 337.389 4.349 0 50 EIAA O=C(Nc1ccc(NC[C@H]2CCC=CO2)cc1)N1CCCCCC1 194145344 RNYQSOFBVLKCQS-GOSISDBHSA-N 329.444 4.199 0 50 EIAA CC[C@H](C)c1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 239173592 OFOLNAZBRRZPJO-IPWHYPCCSA-N 343.467 4.124 0 50 EIAA CC(C)[C@H]1C=CCN1C(=O)c1ccc(-c2ccc(Cl)cn2)cc1 299757565 HCSQJHNCCYKRSG-GOSISDBHSA-N 326.827 4.439 0 50 EIAA C[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cc2ccccc2s1 337309788 ZNRBTUDTRPHYPP-GFCCVEGCSA-N 348.427 4.234 0 50 EIAA Cc1ccc([C@H](C)C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1 821319268 QPDGQXGANIQIEE-INIZCTEOSA-N 338.451 4.123 0 50 EIAA CC[C@H](NC(=O)c1cnc2ccccc2c1)c1nc(C)c(C)s1 822668878 NACMKKFRXRHFET-HNNXBMFYSA-N 325.437 4.189 0 50 EIAA Cc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 825510504 RWFKZZBKRGXZGS-UHFFFAOYSA-N 342.826 4.336 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@@H](C)c1nccc2ccccc12 2325735405 KQJPTRBFHDLSRZ-ROUUACIJSA-N 334.463 4.045 0 50 EIAA O=C(Nc1ncc(C2CC2)s1)c1cccn1CCc1ccccc1 2325871237 DBKQNLOMLAQNIS-UHFFFAOYSA-N 337.448 4.317 0 50 EIAA C[C@H](C(=O)O)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 186089 WZZRJCUYSKKFHO-SNVBAGLBSA-N 338.190 4.113 0 50 EIAA CCN(CC)c1ncnc2scc([C@H]3COc4ccccc4O3)c12 249394 LUURBQJWILSPPZ-OAHLLOKOSA-N 341.436 4.050 0 50 EIAA CSc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 430876 ODKMAMSQIZHFHF-XNTDXEJSSA-N 329.808 4.406 0 50 EIAA CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2[nH]1 467642 WUDSCIWOQHZYFL-UHFFFAOYSA-N 339.464 4.419 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1OC 514108 PBQIUDHIKKPIPP-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA COc1ccc(Cn2c(C)cc3c2CC(C)(C)CC3=O)cc1OC 2562135 VTOCYJQHRNFMGM-UHFFFAOYSA-N 327.424 4.017 0 50 EIAA O=C(O)c1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 4542528 SLEVHEUSHMZZMJ-UHFFFAOYSA-N 329.440 4.492 0 50 EIAA O=C(Cc1cccc2ccccc12)Nc1ccc(Cl)c(C(=O)O)c1 5013136 XOMARELZTDDOLA-UHFFFAOYSA-N 339.778 4.373 0 50 EIAA CCCCOc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 6697264 SKVDITDFBZTCGG-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(C)cc1 7720205 HWYAPBNHPHLVLN-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA O=C(Nc1nnc(Cc2ccccc2F)s1)Nc1ccccc1F 8743298 IFIAWYFFUTUQLL-UHFFFAOYSA-N 346.362 4.051 0 50 EIAA CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 10451511 YKNXHVYTQQQSET-UHFFFAOYSA-N 336.435 4.298 0 50 EIAA O=C(c1ccoc1)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 12752098 QBTWUOSCXOZEAW-NRFANRHFSA-N 344.499 4.178 0 50 EIAA Clc1cccc(Cl)c1CN1CCN(Cc2ccccc2)CC1 19633804 SLBZXVVFZPJITM-UHFFFAOYSA-N 335.278 4.311 0 50 EIAA Cc1nccn1C[C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 72172750 QVUUMSSGKDDHOF-HXUWFJFHSA-N 346.478 4.166 0 50 EIAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 77300674 ZZHGZBRIEAETFY-QGZVFWFLSA-N 341.838 4.004 0 50 EIAA CCCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)no1 82086534 XLGDVQMESXJAGW-HNNXBMFYSA-N 341.436 4.214 0 50 EIAA Cc1cccc(-c2cccc(NC(=O)N3CCCCC[C@@H]3CO)c2)c1 96163265 RMQMPBDYJJQSKU-HXUWFJFHSA-N 338.451 4.431 0 50 EIAA O=C(NCc1cccc2[nH]ccc12)Nc1ccnn1C[C@H]1CC=CCC1 96164130 LPIDUOMUQRVCGH-HNNXBMFYSA-N 349.438 4.042 0 50 EIAA Cc1noc(C)c1[C@@H]1CCCN1Cc1ccc(-c2cc[nH]n2)s1 97609992 HWESXJSWQHPAHJ-HNNXBMFYSA-N 328.441 4.080 0 50 EIAA CC/C=C\C[C@@H](O)/C=C/[C@H]1[C@@H]2C[C@H](CO2)[C@@H]1C/C=C\CCCC(=O)O 100013818 XXHSKVZXPIQTFH-CAANAESVSA-N 348.483 4.112 0 50 EIAA in-vitro CCCc1nc(CNc2cc(C)nc(-c3ccccc3O)n2)cs1 102853266 FGIYMCIUYVICNH-UHFFFAOYSA-N 340.452 4.179 0 50 EIAA C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1ccc(F)cc1F 124908408 NLDNXEDUUMZFNN-SNVBAGLBSA-N 332.379 4.009 0 50 EIAA O=C(N[C@H]1CCCOc2cc(F)ccc21)N[C@@H]1CCCc2occc21 180314128 GALHSZDLTXHLRO-CVEARBPZSA-N 344.386 4.009 0 50 EIAA O=C(CC[C@H]1CCCCO1)N(Cc1ccsc1)c1cccnc1 193517046 YKNRCUNKYAVLNQ-QGZVFWFLSA-N 330.453 4.026 0 50 EIAA CC(C)n1cccc1C(=O)N1CCCC[C@@H]1CCc1cccc(O)c1 223398189 MUHYJBKXWPOXIK-GOSISDBHSA-N 340.467 4.402 0 50 EIAA O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H]1c1ccncc1 247797099 CZNMJPQFBVTUFJ-KSZLIROESA-N 326.827 4.202 0 50 EIAA CC(=O)c1cc(F)c(NC(=O)[C@H]2C[C@H]2c2sccc2C)c(F)c1 253419982 POILVDLYMBQHGV-NEPJUHHUSA-N 335.375 4.280 0 50 EIAA Cc1nc(NC(=O)Cc2noc3ccccc23)c(-c2ccccc2)s1 253423891 LFIXYMSFGMHHPE-UHFFFAOYSA-N 349.415 4.441 0 50 EIAA O=c1ccn(CC[C@H]2CCCO2)c2ccc(Oc3ccccc3)cc12 289494549 ZJOIFCZKKNLPFS-MRXNPFEDSA-N 335.403 4.363 0 50 EIAA O=C(Cc1c[nH]c2ncccc12)N[C@@H]1CCCc2sc(Cl)cc21 292127567 PHUDFMRTPMGZBY-CYBMUJFWSA-N 345.855 4.014 0 50 EIAA O=C(NC1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCCc2nc[nH]c21 366816092 BOMJCDLOCGWCIB-HNNXBMFYSA-N 343.858 4.069 0 50 EIAA CC(C)(C)C[C@H](NC(=O)NCc1cccc(F)c1)c1cccnc1 952971200 MSBWCRXCSVFMJE-KRWDZBQOSA-N 329.419 4.197 0 50 EIAA FC(F)(F)c1ccnc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 1318959904 HIONIBLTIPKNPY-GFCCVEGCSA-N 346.356 4.361 0 50 EIAA Fc1cccc(-c2ccc(Nc3cccc(-n4cnnc4)c3)nc2)c1F 2356136656 CWTHDOZIAFJNNY-UHFFFAOYSA-N 349.344 4.351 0 50 EIAA Cc1cc(C)nc(SCC(=O)n2c(C)c(C)c3ccccc32)n1 87786 UXHVPGZRADVSDN-UHFFFAOYSA-N 325.437 4.097 0 50 EIAA O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc2ccccc12 314164 DHELLUPPIZQGSJ-UHFFFAOYSA-N 344.414 4.328 0 50 EIAA COc1ccc(CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 483177 SYHAWDLNAQVAEQ-UHFFFAOYSA-N 338.432 4.390 0 50 EIAA CCCC(=O)N[C@H](c1ccc(OC)cc1)c1ccc(OCC)cc1 506146 UDVCJZWXLVCGDS-HXUWFJFHSA-N 327.424 4.100 0 50 EIAA Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2)c2ncccc2C)cc1 529016 FZCPCDJAQDAJJU-UHFFFAOYSA-N 344.414 4.494 0 50 EIAA Cc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 562499 DJMSQFFDURVBOJ-UHFFFAOYSA-N 349.434 4.404 0 50 EIAA CCCCc1ccc(-n2nc3cc(C)c(NC(=O)CC)cc3n2)cc1 1858424 APGGTLLOXGPNNB-UHFFFAOYSA-N 336.439 4.420 0 50 EIAA CCCCC(=O)N[C@H](OCc1ccccc1)C(Cl)(Cl)Cl 5792188 AKDBCPQVXIODDD-CYBMUJFWSA-N 338.662 4.206 0 50 EIAA CC(C)c1ccc(NC(=O)[C@H]2CC(O)=Nc3nc4ccccc4n32)cc1 9089868 YVZUNBSKZMEMME-QGZVFWFLSA-N 348.406 4.331 0 50 EIAA C=Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cc1 11818226 XMBPCEVZVPCZMR-KRWDZBQOSA-N 342.389 4.325 0 50 EIAA O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2O)on1 13123589 KEZNCIRVRQUVMY-UHFFFAOYSA-N 348.280 4.318 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COC1CCC(C(C)(C)C)CC1 13154395 WPYJHCPYGNYTGC-STJITEESSA-N 325.537 4.232 0 50 EIAA COc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1OC 15589442 REYNSYDQSUCUHQ-UHFFFAOYSA-N 331.437 4.133 0 50 EIAA CCOc1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1 16648829 AJKBYCQCIHNXJQ-UHFFFAOYSA-N 339.420 4.165 0 50 EIAA CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@@H]2Cc3c(C)cccc3C[C@H]21 27638855 OLMBOBKKGZYZNU-JIWOIOHBSA-N 330.512 4.428 0 50 EIAA in-vitro Cc1cc(C)c2oc(=O)cc(CN3CCC[C@@H]3c3cc(C)no3)c2c1 65491892 KUQGQZLDZHBINS-QGZVFWFLSA-N 338.407 4.043 0 50 EIAA O=C1C[C@H](Sc2ccc3ccccc3c2)C(=O)N1c1ccccc1 100026648 LFKHHRYKUTZWBT-SFHVURJKSA-N 333.412 4.264 0 50 EIAA Cc1noc(C)c1C(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 156695485 HSAWVNUODLNIRO-MFKMUULPSA-N 339.222 4.132 0 50 EIAA c1ccc(COc2ccccc2-c2noc(C[C@@H]3CCCO3)n2)cc1 172051791 YDDFDRXFNLPPKQ-INIZCTEOSA-N 336.391 4.037 0 50 EIAA CNc1nc(CN2CCc3c([nH]c4ccccc34)[C@H]2C(C)C)cs1 243914737 BKECJOMOFOIXOO-GOSISDBHSA-N 340.496 4.422 0 50 EIAA O=C(c1ccc2scnc2c1)N1CC=C(c2ccc(F)cc2)CC1 426720003 RJXWNJDNTJWBNS-UHFFFAOYSA-N 338.407 4.365 0 50 EIAA CCc1c(NCc2ccc(CO)cc2)cnn1-c1ccc(Cl)cc1 447890346 LBMDHKSXQASWGJ-UHFFFAOYSA-N 341.842 4.193 0 50 EIAA O=C(NCc1cccs1)N1CCCC[C@H]1CCc1cccc(O)c1 828924878 BZJXJIVHKXZFFC-INIZCTEOSA-N 344.480 4.151 0 50 EIAA O=C(O)c1ccccc1-c1ccccc1C(=O)N1C[C@H]2CC=CC[C@H]2C1 864203166 QQIODTMTGKQUJX-IYBDPMFKSA-N 347.414 4.090 0 50 EIAA CC1=Nc2ccccc2C12CCN(C(=O)Nc1cccc(C)n1)CC2 866121957 XQTJTMDMCWQTEH-UHFFFAOYSA-N 334.423 4.062 0 50 EIAA O=C(N[C@H](c1cccs1)C1CC1)N[C@@H]1CCOc2c(F)cccc21 891692394 MVMIWKNCWGOBJP-ZBFHGGJFSA-N 346.427 4.161 0 50 EIAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 952976584 NJRADNIUGWLOMU-LLVKDONJSA-N 346.789 4.247 0 50 EIAA CN(C)c1nc2cc(NCc3cc(-c4ccccc4)no3)ccc2o1 1875316234 CPVZEVYPMTVFLB-UHFFFAOYSA-N 334.379 4.161 0 50 EIAA O=C(c1ccccc1)c1ccccc1-c1nc2ccccc2c(=O)o1 395176 DCUBTFGDURWEFR-UHFFFAOYSA-N 327.339 4.086 0 50 EIAA biogenic CCN(CC)c1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1 502311 SANNZRCUYSBKKT-UHFFFAOYSA-N 326.440 4.346 0 50 EIAA O=C(Nc1cccc(NC(=O)c2ccccc2F)c1)c1cccs1 570484 HBBSJJVEJGOEJL-UHFFFAOYSA-N 340.379 4.392 0 50 EIAA CCOc1ccc([C@H]2C[C@@H](c3ccc(CC)cc3)Nc3ncnn32)cc1 616872 FVYQPYUIAUUJQU-VQTJNVASSA-N 348.450 4.386 0 50 EIAA CCCC(=O)N[C@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 2666946 NTRMSLNBZSUNGY-ZDUSSCGKSA-N 337.678 4.328 0 50 EIAA O=c1c2ccccc2ncn1CCCOc1ccc(Cl)c(Cl)c1 3002650 HVNWSTZDPREJQC-UHFFFAOYSA-N 349.217 4.172 0 50 EIAA COc1ccc(-c2csc(NC(=O)c3csc(C)c3)n2)cc1 4777413 SIVFTSUZCWSRPW-UHFFFAOYSA-N 330.434 4.441 0 50 EIAA CCOC(=O)C1CCN(CCCCSc2ccc(C)cc2)CC1 6702718 VLSRGCJVBIHWDH-UHFFFAOYSA-N 335.513 4.142 0 50 EIAA CCC(=O)Nc1ccc(OC(=O)c2ccccc2Br)cc1 8905460 SLFBCBGHXUDVKT-UHFFFAOYSA-N 348.196 4.017 0 50 EIAA COc1cccc(CNCc2ccccc2C(F)(F)F)c1OC 55008612 RVLWWQRVVUDWHY-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA O[C@@H](Cn1ccnc1-c1cnc(C2CCCCC2)nc1)c1ccccc1 82092212 XXGDVARRFNDOSM-IBGZPJMESA-N 348.450 4.121 0 50 EIAA CC(C)c1noc2ncc(C(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc12 229569924 JYIYVINCRFDTLK-IAMHBRQHSA-N 341.455 4.291 0 50 EIAA Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H](C)c2ccncc2F)cc1 240757074 HWCXYQUEZXKCGI-VPWXQRGCSA-N 328.431 4.348 0 50 EIAA Cc1occc1CN(C)c1nc(-c2ccccn2)nc2sccc12 1306949755 TYMLSCHCLOXAIQ-UHFFFAOYSA-N 336.420 4.291 0 50 EIAA O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCO[C@H]2CCCC[C@@H]21 1565509224 FOQJDXMMSBFIBI-PMACEKPBSA-N 339.410 4.276 0 50 EIAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1ccnc(C2CC2)c1 1875305516 UWKKALMRAWMGBF-UAPYVXQJSA-N 336.435 4.079 0 50 EIAA CCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCCCC1)CC3=O 2084329512 YUELSBBCSLXXCS-UHFFFAOYSA-N 326.392 4.332 0 50 EIAA C[C@H](NC[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1c(C2CC2)cnn1C 2325773942 DXVXPPDDJJENNY-QRTARXTBSA-N 333.520 4.178 0 50 EIAA COC(=O)CCCN[C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 2325840899 WULRLPMDYGHCOF-DOMZBBRYSA-N 330.255 4.172 0 50 EIAA O=C(Nc1ccc(Br)cn1)c1cc(F)c(F)cc1Cl 36040 OQLJBEDIGSSOOK-UHFFFAOYSA-N 347.546 4.028 0 50 EIAA COC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@H](C)C2 118425 IOFMMLNMIONNEW-NSHDSACASA-N 343.448 4.220 0 50 EIAA Cc1ccc(C)c(OC(=O)NC(C(F)(F)F)C(F)(F)F)c1C 290393 XOHJHXRNJJUENO-UHFFFAOYSA-N 329.240 4.193 0 50 EIAA biogenic Cc1cc(CC(=O)O)ccc1OCc1ccc(OCC(C)C)cc1 395683 WLHXJACYQHGBLE-UHFFFAOYSA-N 328.408 4.236 0 50 EIAA Cc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1 471527 AQRXPENRVHGCIY-UHFFFAOYSA-N 329.197 4.398 0 50 EIAA COc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCCC2 473852 LILAESSILLTAGJ-UHFFFAOYSA-N 334.466 4.005 0 50 EIAA S=C(NC[C@@H]1CCCO1)Nc1ccccc1Sc1ccccc1 1410635 MVHYAAMPLJSLJF-AWEZNQCLSA-N 344.505 4.303 0 50 EIAA CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1 2778196 VWZMDQDLDZLAKP-UHFFFAOYSA-N 349.312 4.237 0 50 EIAA Cc1cccc(C)c1OS(=O)(=O)c1cc(Cl)ccc1Cl 3000139 XNCCONVYOBLOBL-UHFFFAOYSA-N 331.220 4.378 0 50 EIAA O[C@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@@H]1CCc1ccccc1 3884156 BBKPDCPIJZWWPW-IEBWSBKVSA-N 347.380 4.204 0 50 EIAA O=C(O)C[C@@H](NC(=O)CCC1CCCCC1)c1cccc(Cl)c1 4686706 YMVNPSUJBNXZRA-MRXNPFEDSA-N 337.847 4.333 0 50 EIAA O=C(Nc1cccc(-c2noc(-c3ccncc3)n2)c1)c1cccs1 6697117 HLEBCPIBEBTZFB-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA COc1cccc(CNCc2cccnc2N(C)C2CCCCC2)c1 12074151 XHVFUARFBRNEGM-UHFFFAOYSA-N 339.483 4.149 0 50 EIAA Cc1ccc(F)c(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1 169775580 MHUGACJOSYAOHR-UHFFFAOYSA-N 347.353 4.385 0 50 EIAA Cc1ccc([C@H](CNc2ncnc3c2oc2ccccc23)N(C)C)cc1 170596181 GVIZXJUYNPQQDB-KRWDZBQOSA-N 346.434 4.399 0 50 EIAA CC(=O)Oc1ccc(C)c2c1[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@H]1CC2 252694899 RNKRHMVSDHMQGT-DLRJPAPCSA-N 326.436 4.346 0 50 EIAA biogenic CN(Cc1cccc(C(=O)O)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 263397790 HDNJNNHQUTUYGW-RBUKOAKNSA-N 339.435 4.063 0 50 EIAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1cc2cc(Cl)ccc2[nH]1 426534122 WOUQVXDWKUQSPQ-AWEZNQCLSA-N 332.831 4.043 0 50 EIAA COc1ccc2c(c1)CN(C(=O)Nc1ccc(CCC(C)C)cn1)C2 654106402 JMWVPKREFZEBHK-UHFFFAOYSA-N 339.439 4.227 0 50 EIAA CCNC(=O)c1ccc(NC(=O)c2c(F)ccc(C)c2Cl)c(C)c1 952968855 GCLFVQMNFJCGSC-UHFFFAOYSA-N 348.805 4.098 0 50 EIAA CCCc1nc(C)c(CNC(=O)Nc2cccc(SC)c2)s1 952980569 QGYXTUDLHFRLHV-UHFFFAOYSA-N 335.498 4.448 0 50 EIAA Cc1cc(SCc2cccc3c2CCOC3)nc(-c2ccccn2)n1 1875288389 ZMUSEEOTETVEEI-UHFFFAOYSA-N 349.459 4.212 0 50 EIAA Cc1cccc(C[C@@H](CC(=O)O)C(=O)Nc2cccc(Cl)c2C)c1 49601 SUOYQYMDKFKTDK-HNNXBMFYSA-N 345.826 4.229 0 50 EIAA CC(C)c1ccc(-c2csc3ncn(-n4cccc4)c(=O)c23)cc1 390184 IOLHGXMGNBSJSW-UHFFFAOYSA-N 335.432 4.361 0 50 EIAA COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 434757 AXQDVSPUCPFEED-UHFFFAOYSA-N 343.386 4.491 0 50 EIAA O=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1 467746 ZENAYAFFTGEHLU-UHFFFAOYSA-N 325.589 4.494 0 50 EIAA Cc1ccc(OCc2ccc(C(=O)NCc3cccnc3)cc2)cc1C 469341 IZPOIZGCRFLZME-UHFFFAOYSA-N 346.430 4.207 0 50 EIAA Cc1c(C(=O)NCc2ccccc2Br)oc2ccccc12 1056375 NEPIJVPJQTZXBW-UHFFFAOYSA-N 344.208 4.434 0 50 EIAA Cc1ccc(C(C)C)c(OCCCn2c(CO)nc3ccccc32)c1 1926873 PBSKBRJAWHYDLH-UHFFFAOYSA-N 338.451 4.430 0 50 EIAA CCc1ccc(NC(=O)c2ccn(COc3ccc(C)cc3C)n2)cc1 2800406 ZWZQASOANVRRNT-UHFFFAOYSA-N 349.434 4.351 0 50 EIAA CCc1cc(Br)ccc1NC(=O)Cc1ccc(OC)cc1 2834013 IWFABIGYSDXYQZ-UHFFFAOYSA-N 348.240 4.201 0 50 EIAA O=C(Nc1ccccc1Br)c1c(F)cccc1Cl 3452376 DWNIDMWYYMBHJU-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA COc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1OC 3815044 KEQCEKUDWPXRRQ-UHFFFAOYSA-N 349.312 4.409 0 50 EIAA O=C(O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12 4812480 UGYLWYNSKRKEBR-UHFFFAOYSA-N 344.164 4.068 0 50 EIAA CC(C)(C)Nc1ncnc2scc([C@@H]3COc4ccccc4O3)c12 6702440 GNRQUIJIJLEGTD-AWEZNQCLSA-N 341.436 4.414 0 50 EIAA COc1ccc(Cl)cc1-c1noc(COc2ccccc2C)n1 6703644 RQAROXAVMZQUJX-UHFFFAOYSA-N 330.771 4.286 0 50 EIAA O=C(O)c1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1 8904633 NBLUHAVWSGZTDV-UHFFFAOYSA-N 347.370 4.216 0 50 EIAA Cc1ccccc1[C@H](CC(=O)NCc1ccccn1)c1ccccc1 12429229 WSPGTYBGYQQASG-OAQYLSRUSA-N 330.431 4.228 0 50 EIAA CCn1ccnc1Cn1ccc(-c2cccc(-c3ccncc3F)c2)n1 19537739 MIIRZMOBNIGDCR-UHFFFAOYSA-N 347.397 4.016 0 50 EIAA CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)on1 33270082 UIPGJVMIERNFKP-MRXNPFEDSA-N 332.831 4.358 0 50 EIAA O=C(c1cccc2nccnc12)N1CCCC[C@H]1c1ccc(F)cc1 77440910 ZUFWGAWZBSDYCP-SFHVURJKSA-N 335.382 4.136 0 50 EIAA O=C1CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 93278228 LCUYZAABGBJMNH-QGZVFWFLSA-N 340.492 4.002 0 50 EIAA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3)CC2)C1 95352349 VYVKGRXMRSOHTB-NRFANRHFSA-N 348.490 4.028 0 50 EIAA CCC(=O)O[C@H](c1ccccc1)[C@@H](Cc1ccccc1)CN(C)C 96027118 XYISHAFTUAWSFR-PZJWPPBQSA-N 325.452 4.101 0 50 EIAA CC(C)(C)OC(=O)N1CC[C@H](c2ccc(Br)cc2)C1 115037106 NFTKVQYDQFSNHQ-LBPRGKRZSA-N 326.234 4.174 0 50 EIAA Cc1n[nH]c(NC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C 170616975 ZZLKELHKEDEPKB-UHFFFAOYSA-N 342.399 4.102 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1csc(CCC)n1 216194157 DWOWYDQLFSGWDL-INIZCTEOSA-N 331.485 4.494 0 50 EIAA Cc1nc(CO[C@@H]2CCN([C@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 225400979 GLUPPYLBLSRCQS-IUODEOHRSA-N 349.500 4.089 0 50 EIAA CCN(C(=O)c1ccc(C(C)=O)o1)c1ccc(C(F)(F)F)cc1 253392134 WEYXMUNDBHTMOD-UHFFFAOYSA-N 325.286 4.168 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2ccccc2)cs1 263525844 UAKUGYRBEPQKEY-OIISXLGYSA-N 342.464 4.028 0 50 EIAA C[C@H](Nc1cccc2c1CCNC2=O)c1ccc(C(F)(F)F)cc1 414323832 VCPXGAKALBPHIZ-NSHDSACASA-N 334.341 4.164 0 50 EIAA CC(C)OCc1noc(CN2CCCC[C@@H]2c2ccc(Cl)cc2)n1 930651817 CAVVSNZZBCPYHM-MRXNPFEDSA-N 349.862 4.375 0 50 EIAA C[C@H](CNC(=O)c1ccsc1C(F)F)c1nc2ccccc2o1 934001072 XCMDAHGXJBHKGK-SECBINFHSA-N 336.363 4.360 0 50 EIAA C=Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1 1565510443 PVDGUFWEKYISKN-IRLDBZIGSA-N 346.474 4.066 0 50 EIAA O=C(c1ccnc(N[C@H]2CCCc3ccccc32)c1)N1CCCCC1 1704280512 OBJLQAMVUKGPKV-IBGZPJMESA-N 335.451 4.197 0 50 EIAA Cc1ccnc(OC2CCN(C(=O)C3CCC4(CCC4)CC3)CC2)c1 1875334144 APDNOIWCHKQRKR-UHFFFAOYSA-N 342.483 4.120 0 50 EIAA CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccco3)[C@H]1[C@H]2C 2084292140 ABFSDSQOZYJGJO-MIGDXVIRSA-N 347.455 4.320 0 50 EIAA O=C(Cc1cc(Cl)cc2ccccc12)O[C@H]1C[C@H](n2ccnc2)C1 2325799122 WETXLHSPTZWCRM-QAQDUYKDSA-N 340.810 4.179 0 50 EIAA CC[C@H](OC(=O)c1cc(CC(C)C)[nH]n1)c1cc(C)ccc1OC 2325853127 DSWCYHIEKIVVAH-KRWDZBQOSA-N 330.428 4.233 0 50 EIAA Oc1cc([C@@H]2CCCN(Cc3ccc(Cl)c4ccccc34)C2)[nH]n1 2325858491 PLRAQSNXSMPRLX-CQSZACIVSA-N 341.842 4.302 0 50 EIAA CC1=CC2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)OCC1 2356141090 VJHJYQMWJINCNH-UHFFFAOYSA-N 327.468 4.326 0 50 EIAA CC1=N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)O1 434782 BDBYJNSHUKCJGF-LICLKQGHSA-N 327.767 4.235 0 50 EIAA CSc1nnc2c(n1)O[C@H](c1ccccc1C)Nc1ccccc1-2 457988 MTNQYPOREHIBEJ-MRXNPFEDSA-N 336.420 4.072 0 50 EIAA CC1(C)C[C@@H](NC(=O)C[C@H](c2ccc(F)cc2)c2ccco2)CCO1 472378 ASBIGRMSMVGJFG-DLBZAZTESA-N 345.414 4.015 0 50 EIAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCC[C@@H](C)C3)c2c1 1459722 KQCDWPZOHIDADL-MRXNPFEDSA-N 345.446 4.477 0 50 EIAA CCCCSc1nnc(NC(=O)c2ccccc2Cl)s1 9012497 KNIMEAGDUFFAKG-UHFFFAOYSA-N 327.862 4.336 0 50 EIAA COc1ccc(CCNCc2cccc(C(F)(F)F)c2)cc1OC 19560643 XNGVYJJBCCYZHN-UHFFFAOYSA-N 339.357 4.055 0 50 EIAA CCc1ccc([C@@H](CNC(=O)c2ccccc2C)N2CCCC2)cc1 28293169 CEEUMIPRIZIOFK-OAQYLSRUSA-N 336.479 4.124 0 50 EIAA COc1ccc(CN(Cc2sccc2C)CC(C)C)cc1CO 55358135 GIXDYHJDQUCNMP-UHFFFAOYSA-N 333.497 4.216 0 50 EIAA CC(C)C[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2nccs2)O1 65393865 CECJSUAOXIKLPP-IKGGRYGDSA-N 344.480 4.208 0 50 EIAA CCOc1cccc(Oc2ccc(CN3CCCC3)cc2OC)c1 67725806 AGOIZVNKJGCWON-UHFFFAOYSA-N 327.424 4.482 0 50 EIAA c1ccc2nc(-c3nccn3CCc3nc4ccccc4[nH]3)ccc2c1 71765466 LFDSPPBQPLPQRP-UHFFFAOYSA-N 339.402 4.217 0 50 EIAA Cc1ccc(C)c(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 72115642 QEMPLWNIVNBAGV-UHFFFAOYSA-N 330.431 4.470 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)NC1(c2ccccc2Cl)CC1 91602523 ILAOLBMRHLBILO-UHFFFAOYSA-N 331.847 4.099 0 50 EIAA O=C(C1CCC(F)(F)CC1)N1CCC(COc2ccccc2)CC1 130201625 WPMFGTGGPPETBE-UHFFFAOYSA-N 337.410 4.130 0 50 EIAA CC[C@H](N[C@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 163820493 GOWLBMWEZWPDJP-IERDGZPVSA-N 340.467 4.441 0 50 EIAA COc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(OC)c1 230069150 XFKVUQCVTNOZQA-XBDSEDPPSA-N 343.467 4.144 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1 240540892 GPYZHJNWBUPBGM-UHFFFAOYSA-N 337.423 4.234 0 50 EIAA CC(=O)Nc1cc(NC(=O)N(C)[C@@H]2[C@@H](C)CCC[C@H]2C)ccc1C 252474905 OKTBMLZBBRSDEU-UOIKSKOESA-N 331.460 4.242 0 50 EIAA CN(C(=O)[C@@H]1CCOc2ccc(Cl)cc21)C1CCC(F)(F)CC1 377423955 VTSPTCNEGFEHSW-CYBMUJFWSA-N 343.801 4.242 0 50 EIAA Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)n1C(F)F 426523718 SZCHCYRIZNAYNB-HNNXBMFYSA-N 332.394 4.457 0 50 EIAA CCN1CCN(c2cccc(NCc3cc4ccccc4o3)c2)CC1 475092972 MQLFUCAQNFRSBM-UHFFFAOYSA-N 335.451 4.187 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc2)o1 825197922 VLKANPSGFLNBEU-LJQANCHMSA-N 347.414 4.331 0 50 EIAA COc1ccc2c(c1)CCCN(C(=O)N[C@@H](C)c1cc(C)oc1C)C2 1318491531 ZWVAIBFSHKSTRF-AWEZNQCLSA-N 342.439 4.124 0 50 EIAA COc1ccc(-c2csc(NCc3ccccc3)n2)cc1OC 190358 BRYARXUDFOYGGM-UHFFFAOYSA-N 326.421 4.439 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2cccnc2)no1 430487 GELDTPYXTFQWLT-UHFFFAOYSA-N 338.754 4.415 0 50 EIAA Cc1cc(C)n(C(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 447408 WZBFBNDVJWOCRO-UHFFFAOYSA-N 327.387 4.404 0 50 EIAA COc1cc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(OC)c2)ccc1O 1863454 ADFOLUXMYYCTRR-KBPBESRZSA-N 330.424 4.172 0 50 EIAA biogenic,in-vitro CCOc1cccc(OCCOCCOc2ccc(CC)cc2)c1 2985319 SBFZXPQUNAKSEL-UHFFFAOYSA-N 330.424 4.122 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 3881408 NCMZQTLCXHGLOK-ZKHIMWLXSA-N 330.468 4.450 0 50 EIAA biogenic,world O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12 4558383 MFOXSTRHEAEKMI-UHFFFAOYSA-N 330.265 4.355 0 50 EIAA CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccccc1 5049730 OCCZXQUAIFCOBP-UHFFFAOYSA-N 344.414 4.211 0 50 EIAA Cc1cc(NCCc2ccccc2)n2ncc(-c3ccccc3)c2n1 5562456 SFWLNFAQUMLVJM-UHFFFAOYSA-N 328.419 4.359 0 50 EIAA CCOc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 10295056 BIYBCDBQKCYNPC-UHFFFAOYSA-N 338.451 4.324 0 50 EIAA O=C(CSc1ccccc1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 12585258 USYMCQKQSHYGTF-QGZVFWFLSA-N 344.455 4.021 0 50 EIAA O=C(NCc1ccccc1Cl)C1CCN(CC2CCCCC2)CC1 15855939 FBFKFKDYECGJRU-UHFFFAOYSA-N 348.918 4.249 0 50 EIAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1 17976252 QKHOLMCAIKHCFU-RTBURBONSA-N 335.403 4.467 0 50 EIAA Cc1ccc2nc(C)c(C(=O)N(C)[C@@H](C)c3c(C)n[nH]c3C)cc2c1 55212094 ZOXGZFUCCORFKJ-HNNXBMFYSA-N 336.439 4.025 0 50 EIAA COc1cccc(CN(CC(C)C)C(=O)c2cc(C(C)C)on2)c1 55224892 SVLYQTLCNGOLMB-UHFFFAOYSA-N 330.428 4.105 0 50 EIAA COCC[C@@H]1CCCCN1C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91663348 TWFQWFPGOLANSN-INIZCTEOSA-N 328.456 4.124 0 50 EIAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1ccc2sccc2c1 91997687 LLGVGNFHGIESLI-UHFFFAOYSA-N 349.415 4.224 0 50 EIAA Cc1cc(F)ccc1[C@H]1CC(=O)CCN1C(=O)OCc1ccccc1 135902652 YDYUSCAHHHPNHK-LJQANCHMSA-N 341.382 4.177 0 50 EIAA Cc1[nH]c2ccc(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)cc2c1C 152952168 TYTAVJHVWNRREG-GHTZIAJQSA-N 348.446 4.435 0 50 EIAA CC(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)cc1F 357724133 YKFYPSPQWZUFNR-UHFFFAOYSA-N 343.398 4.478 0 50 EIAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(Cc1cc(F)ccc1C)CC2 426369481 ZSVKUUWBGWEHPX-PCCBWWKXSA-N 347.474 4.073 0 50 EIAA COc1ccc(-c2noc([C@H](C)N3CCCC4(CCCC4)C3)n2)cc1 445837814 OVCYBOXROTYACW-HNNXBMFYSA-N 341.455 4.462 0 50 EIAA CC(C)c1nnsc1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 1336432697 KLUUSSIIGQTXTH-OAHLLOKOSA-N 345.443 4.167 0 50 EIAA COc1cccc2c(N3CCC[C@@H]4[C@H]3[C@H]4C(F)(F)F)cc(C)nc12 1875328318 LDTLLRIEMTWJHT-NUTKFTJISA-N 336.357 4.329 0 50 EIAA CCCn1cc(-c2cc(Cl)cc(C)c2OC2CCNCC2)cn1 1875330270 VTNWYGKYYNTGQH-UHFFFAOYSA-N 333.863 4.053 0 50 EIAA CC[C@@H]1C[C@H](n2ccnc2-c2ccc(CC(F)(F)F)cc2)CCN1 1940198038 JBYHUCDJVMDLRL-HZPDHXFCSA-N 337.389 4.358 0 50 EIAA CC1CCC([C@@](C)(O)CNCc2cc(F)cc3cccnc23)CC1 2325841523 YKIPWQCPBFPUKE-GAGFWEIESA-N 330.447 4.041 0 50 EIAA O=C(O)c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F 113660 CCKZULNPDWAPMX-UHFFFAOYSA-N 335.075 4.426 0 50 EIAA biogenic COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2OC)c1 243253 VKMXQSOHQMSBAR-UHFFFAOYSA-N 337.375 4.118 0 50 EIAA Cc1nn(Cc2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1Cl 355103 QKFKETQJZDBYPB-UHFFFAOYSA-N 345.874 4.264 0 50 EIAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)OCO2 587081 WZFAPAIVWZVRGR-UHFFFAOYSA-N 329.355 4.239 0 50 EIAA COc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1 859620 SJGBTEZXJDXVTM-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA CSc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1 13669384 ZQRITGLUGXKTEZ-CQSZACIVSA-N 335.494 4.065 0 50 EIAA O=c1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)[nH]1 15987506 NZTXOSONBRNBDV-UHFFFAOYSA-N 328.824 4.383 0 50 EIAA CN(C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)C1CCCCC1 20616930 ZKASWQGCLPUXQT-UHFFFAOYSA-N 345.390 4.058 0 50 EIAA c1ccc(COCc2c(-c3ccccc3)ncn2C[C@H]2CCCO2)cc1 65371769 MVLRUAWCQVTDCI-HXUWFJFHSA-N 348.446 4.446 0 50 EIAA CC(C)n1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)cn1 77458869 AEBMVZCMXJELNZ-SFHVURJKSA-N 329.419 4.361 0 50 EIAA CCCc1ccc2oc(C(=O)N(C)CCCn3cccn3)c(C)c2c1 77505935 MOJHAJZYMUTJSE-UHFFFAOYSA-N 339.439 4.053 0 50 EIAA CCc1nc(C)c(NC(=O)COc2ccc(C(F)(F)F)cc2)s1 170601201 ATWTVSRQKYEOLE-UHFFFAOYSA-N 344.358 4.050 0 50 EIAA Cc1oc(-c2ccccc2)c(C(=O)NCCN2CCCC[C@@H]2C)c1C 170602146 OCFOSVBEFKRBSR-HNNXBMFYSA-N 340.467 4.168 0 50 EIAA CC(C)c1nn(-c2ccccc2)cc1CNCCCCCCC(=O)O 170612897 AUUIKOHXTBVFOP-UHFFFAOYSA-N 343.471 4.120 0 50 EIAA COC[C@@H](NCCc1coc(-c2ccc(F)cc2)n1)c1ccccc1 225634569 AWIJRQAEDGCWHS-LJQANCHMSA-N 340.398 4.001 0 50 EIAA Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1Cl 243352640 LWHCZPBOKHGKDZ-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA COc1ccc(CNCc2ccccn2)cc1OCc1ccsc1 299768855 ZNSRPFSSAPTCEF-UHFFFAOYSA-N 340.448 4.021 0 50 EIAA CCc1oc2c(NC(=O)NCCc3scnc3C)cccc2c1C 299802649 UYERXUNXCRKNKG-UHFFFAOYSA-N 343.452 4.433 0 50 EIAA CCN(C(=O)c1ccc2nccc(C)c2c1)[C@H]1CCCc2cccnc21 367676762 ZEGZGOZVOFOMIF-FQEVSTJZSA-N 345.446 4.478 0 50 EIAA C[C@@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1ccc(Cl)cc1 891530229 XZMAKBABKHTJSA-LLVKDONJSA-N 335.835 4.186 0 50 EIAA Cc1ccc([C@H](O)c2ccccn2)cc1NCc1nc(C)c(C)s1 902540100 WBDZJMYMDJJPFJ-IBGZPJMESA-N 339.464 4.157 0 50 EIAA O=C(O)C[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1cccs1 914730853 KUQQGQJYFCXJOH-NSHDSACASA-N 349.408 4.048 0 50 EIAA CC1=CC2(CCN(Cc3ccc(-c4ccccn4)cc3)CC2)OCC1 1704326214 YBRXMKWNLACFPW-UHFFFAOYSA-N 334.463 4.450 0 50 EIAA C[C@@H](OC(=O)c1ccc2c(O)ncnc2c1)c1ccc(C2CC2)cc1 1875287751 YGBRBUKPCUWGBY-GFCCVEGCSA-N 334.375 4.131 0 50 EIAA Cc1ccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)cc1Cl 308560 RSNQEHGVTYDQMC-UHFFFAOYSA-N 340.810 4.363 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 375726 KOTQUBPAOULJST-HNNXBMFYSA-N 331.843 4.165 0 50 EIAA CC(C)(c1cc(Cl)cc(Cl)c1)N1C(=O)C2=C(CCCC2)C1=O 442264 FCXPACSYDKSNNN-UHFFFAOYSA-N 338.234 4.468 0 50 EIAA C=Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 467027 MPOIGHZVCNYVKW-UHFFFAOYSA-N 332.359 4.427 0 50 EIAA O=C(NCc1cccs1)Nc1ccc(Br)cc1Cl 611541 BTTONAUFTZRUAW-UHFFFAOYSA-N 345.649 4.486 0 50 EIAA CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)ccc1OC 2908258 ZBUXWFUXDPHRGA-HNNXBMFYSA-N 347.846 4.457 0 50 EIAA aggregator Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 6710504 CGPVWYGJGOZQHG-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA CCOc1ccc(CCCC(=O)N[C@@H](C)CCCC(C)(C)O)cc1C 55183285 LDIRKJHAGSYDRA-KRWDZBQOSA-N 349.515 4.162 0 50 EIAA CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(C)=O)s1 55343447 AEUBHYVGFFZNTE-UHFFFAOYSA-N 331.437 4.012 0 50 EIAA COc1ccccc1CN(Cc1cccc(Cn2cccn2)c1)C1CC1 55344557 GUSSNXIMTRMDGJ-UHFFFAOYSA-N 347.462 4.105 0 50 EIAA Cc1cc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)[nH]n1 67642254 CUAOAVXDUQQONL-UHFFFAOYSA-N 343.434 4.361 0 50 EIAA CCN(CC1CCCCC1)C(=O)c1cccc(CCC(C)(C)O)c1 72457358 QHLZBZPHFHNSJN-UHFFFAOYSA-N 331.500 4.433 0 50 EIAA Cc1ccc(-c2cc(C(=O)N3CCC[C@](C)(c4ccccc4)C3)[nH]n2)o1 95528493 FNFBLPFDGYLUIB-NRFANRHFSA-N 349.434 4.172 0 50 EIAA FC(F)(F)c1cc(Br)ccc1CNCc1cccnc1 133260872 UFTSHPCSUGSRGE-UHFFFAOYSA-N 345.162 4.153 0 50 EIAA O=C(CSC[C@H]1CCCCO1)Nc1scnc1-c1ccccc1 171062279 OXGKAUWNMUSCNX-CQSZACIVSA-N 348.493 4.051 0 50 EIAA CCN(CC1CCOCC1)C(=O)c1ccccc1Oc1ccccc1 218972415 SUEYSHNKEKKCNV-UHFFFAOYSA-N 339.435 4.368 0 50 EIAA COc1ccc(C(=O)C[C@H](C)C(=O)O[C@@H](C)c2cccc(F)c2)cc1 225618945 LFFTVEHCTPKEOU-KBPBESRZSA-N 344.382 4.348 0 50 EIAA CC(C)(C)OC(=O)NCC[C@H](c1ccccc1)c1cccc(N)c1 261508038 PDHDMCJOVMNNGQ-GOSISDBHSA-N 326.440 4.316 0 50 EIAA CC(C)(C)n1nnnc1CNC1(c2ccc(Cl)cc2)CCCCC1 329785847 XJMQMZVTGVHTOH-UHFFFAOYSA-N 347.894 4.031 0 50 EIAA CN(CC[C@@H]1CCCCO1)C(=O)NCc1ccc(Cl)cc1Cl 825520479 ZVVWXUACFLAOKW-AWEZNQCLSA-N 345.270 4.094 0 50 EIAA O[C@@H](c1nc(C2(c3ccncc3)CCC2)no1)C1CCCCCCC1 904102038 GIXYIZZMNSGDOK-QGZVFWFLSA-N 341.455 4.329 0 50 EIAA Cn1cccc1[C@H]1CCCCN1C(=O)c1ccnc(-c2ccco2)c1 933979246 SQVLFHNCDQORDF-GOSISDBHSA-N 335.407 4.048 0 50 EIAA O=C(Cc1cncc2ccccc12)N1C[C@@H]2CC[C@H]1c1ccccc12 1333073998 TTYBTWPXCBMWAO-KKSFZXQISA-N 328.415 4.238 0 50 EIAA C[C@@H]1CCN(C(=O)[C@H]2C[C@]2(F)c2ccccc2)c2c(O)cccc21 1447356705 DSZORXKEUBBECI-AUJRIZCKSA-N 325.383 4.117 0 50 EIAA CN(Cc1ccc2c(c1)Cc1ccccc1-2)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704354063 YFTCPCXGSSRWAF-GHSBBIOCSA-N 333.475 4.239 0 50 EIAA CCN(Cc1csc(-c2ccc(F)cc2)n1)C1CCC(N)CC1 1875298587 GXIHSDFHIIOSHF-UHFFFAOYSA-N 333.476 4.041 0 50 EIAA COc1ccc(C[C@H]2CCN2C(=O)C2CCC3(CCC3)CC2)cc1 1875333602 DAODEEJJJHSBFD-GOSISDBHSA-N 327.468 4.199 0 50 EIAA C=CC(=O)N[C@@H](c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1 1875368887 STXLMUUPUIUPPS-OAHLLOKOSA-N 340.732 4.145 0 50 EIAA CSc1ccc([C@H](C)NC[C@@H](CO)Cc2ccccc2C)cc1 2325738424 URTAGSXCCLADNZ-IRXDYDNUSA-N 329.509 4.219 0 50 EIAA CCCCN(C(=O)[C@H]1COc2ccc(Cl)cc21)c1cccnc1 2325850252 RGGWHORWTORBIO-INIZCTEOSA-N 330.815 4.044 0 50 EIAA CC1=NN(C(=O)c2ccccc2Cl)[C@@](O)(c2ccc(Cl)cc2)C1 77555 UKTLLYCWSFLLTQ-KRWDZBQOSA-N 349.217 4.061 0 50 EIAA CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccn1 352156 CIOMFRFRNUBKIG-UHFFFAOYSA-N 348.834 4.445 0 50 EIAA CCN(CC)c1ccc(NC(=O)c2cccc(C)c2OC)c(C)c1 568419 CAWNBJYOZYDWMF-UHFFFAOYSA-N 326.440 4.411 0 50 EIAA COc1ccc(OC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 1120313 IJWJOJLJSGKUCV-UHFFFAOYSA-N 327.163 4.230 0 50 EIAA CCCC(=O)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 2666944 ZRQIHEPLFGIJLE-NSHDSACASA-N 344.069 4.365 0 50 EIAA Cc1ccc(NC(=O)[C@@H](C)Cn2nc(C(F)(F)F)cc2C)c(C)c1 2796369 SBLXYFVOVPGIEC-LBPRGKRZSA-N 339.361 4.102 0 50 EIAA Cc1cccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1 4853211 POMIYAQMDCIZSV-UHFFFAOYSA-N 349.434 4.404 0 50 EIAA C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COC1CCC(C(C)(C)C)CC1 6556249 WPYJHCPYGNYTGC-FDIDQYAWSA-N 325.537 4.232 0 50 EIAA O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1CCC1 12191215 IFXYUNCTDDTGOU-OAHLLOKOSA-N 347.867 4.288 0 50 EIAA O=C(C[C@@H](c1cccc(O)c1)c1ccccc1Cl)NC1CCC1 12314100 YSVLPDLCPJFJSJ-KRWDZBQOSA-N 329.827 4.236 0 50 EIAA CSc1ccc(CN2CCC(CCC(=O)N3CCCC3)CC2)cc1 12439245 UCLXNGPVDNFKDY-UHFFFAOYSA-N 346.540 4.023 0 50 EIAA CCCC[C@@H]1C(=O)CC[C@@H]2[C@H](C/C=C\CCCC(=O)O)C(=O)C[C@H]12 27639703 CGCZPIJMGKLVTQ-ALTMRPGWSA-N 334.456 4.178 0 50 EIAA in-vitro CC[C@@H](C)N(C(=O)c1cccc(Oc2ncccn2)c1)C1CCCC1 65404829 OPVFUEWLAVZWON-OAHLLOKOSA-N 339.439 4.452 0 50 EIAA COc1ccc(F)cc1-c1nccn1Cc1c(C)nn(C(C)C)c1C 72424934 AAQFCUMEICULJV-UHFFFAOYSA-N 342.418 4.140 0 50 EIAA C[C@@]12CC3CC(OCCn4ccnc4-c4c[nH]cn4)(C1)C[C@](C)(C3)C2 72473995 CSHIKVFZKHZNFD-LGMBCPCJSA-N 340.471 4.039 0 50 EIAA CNc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2ccccc2)s1 77538413 SGIBPFLHNDNZLY-INIZCTEOSA-N 343.496 4.121 0 50 EIAA Cc1ccc(SCc2ccc(-c3nc([C@@H]4CCOC4)no3)o2)cc1 96151593 TZCZFTNJLYZROQ-CYBMUJFWSA-N 342.420 4.434 0 50 EIAA O=C(N[C@]12CCC[C@H]1[C@H]1CC[C@H]2C1)N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1 102970382 OCLJVESFZXJORW-VTBMCCKRSA-N 328.500 4.223 0 50 EIAA CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@](C)(C(=O)O)C3)o2)c1 191042223 QFRJZZXHYCACJZ-FQEVSTJZSA-N 341.407 4.007 0 50 EIAA CC(=O)c1cc(F)c(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c(F)c1 253419993 POILVDLYMBQHGV-RYUDHWBXSA-N 335.375 4.280 0 50 EIAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H]1/C=C/c1ccccc1 253424904 SEFCAIHZWIRMKB-BOACDIQBSA-N 337.467 4.225 0 50 EIAA O=C(c1ccnc(C2CC2)c1)N1CCCC[C@@H]1c1nc2ccccc2o1 329327240 JWXKJPMAJYWGCF-GOSISDBHSA-N 347.418 4.468 0 50 EIAA C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)[C@@H]1C[C@H]1c1cccs1 417306691 DOFYEZJDYIDPLT-MDASCCDHSA-N 337.492 4.430 0 50 EIAA Cc1cc(C)c2nccc(-c3ccc(C(=O)N[C@@H]4CCOC4)cc3)c2c1 534665533 FOCBSNRBWLGZIO-GOSISDBHSA-N 346.430 4.037 0 50 EIAA O=C(O)c1ccc(CN2CCCC[C@@H]2Cc2ccccc2F)cc1F 659788349 IFSVBXXCMFPNHI-MRXNPFEDSA-N 345.389 4.260 0 50 EIAA CCc1ncoc1C(=O)N(C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 1336550213 KEWYDSZOYZYVOS-CQSZACIVSA-N 348.830 4.049 0 50 EIAA Fc1cc(CN2CCCN(C3CCCC3)CC2)ccc1C(F)(F)F 1529099968 JWEPVLNHXMLDJN-UHFFFAOYSA-N 344.396 4.295 0 50 EIAA Cc1ccc2c(C)cc(N3CCC[C@@H](CCC(=O)O)C3)nc2c1C 1704309381 RSHWPDRPMTZOGW-INIZCTEOSA-N 326.440 4.241 0 50 EIAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 1875323050 UQWYCRNXTHCZSN-UHFFFAOYSA-N 333.453 4.236 0 50 EIAA COCC[C@@](C)(O)CNc1cc(C(F)F)nc2ccc(Cl)cc12 2325790396 IUDSTDKZFRNCLW-MRXNPFEDSA-N 344.789 4.025 0 50 EIAA COc1cnc(C(F)(F)F)cc1C(=O)OCc1c(C)cccc1C 2325874343 JGQKXIKKCYJFFH-UHFFFAOYSA-N 339.313 4.083 0 50 EIAA O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccccc1 175950 RVJAOAAMFAHDOO-UHFFFAOYSA-N 346.411 4.008 0 50 EIAA CCc1ccc(OC(=O)COc2ccc(C)cc2)c(Br)c1 358948 CMDGRBRRAWLLLK-UHFFFAOYSA-N 349.224 4.304 0 50 EIAA C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2F)S1 528782 MXJUYMKBSINKRI-LLVKDONJSA-N 347.390 4.495 0 50 EIAA O=C(OCc1ccccc1)c1ccccc1C(=O)OCc1ccccc1 1470694 UCVPKAZCQPRWAY-UHFFFAOYSA-N 346.382 4.401 0 50 EIAA in-vitro Cc1ccccc1CSc1ncc(CO)n1Cc1ccc(F)cc1 4382445 FILGYBCSNZUFOY-UHFFFAOYSA-N 342.439 4.164 0 50 EIAA C[C@H]1CCCCN1C(=O)c1cccnc1-c1nc2ccccc2s1 6703566 CVIUBHZEEAYPAC-ZDUSSCGKSA-N 337.448 4.373 0 50 EIAA CCOc1ccc2nc(Nc3nc(C)c4c(n3)CCCC4)nc(C)c2c1 9090020 WVPHNJAGZXYHCJ-UHFFFAOYSA-N 349.438 4.058 0 50 EIAA CC1(C(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1 12279291 UXVQITJDHYYTKM-CQSZACIVSA-N 347.867 4.288 0 50 EIAA COc1ccccc1CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 23280663 YNWXGDYKFPKTME-AWEZNQCLSA-N 337.385 4.477 0 50 EIAA FC(F)(F)[C@@H](OCc1nc(Cc2ccccc2)n[nH]1)c1ccccc1 65508817 DMNKYBTYGPXAQH-KRWDZBQOSA-N 347.340 4.216 0 50 EIAA CC[C@@H](c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1 82087867 KHONZDHTUSDFQW-HNNXBMFYSA-N 348.809 4.084 0 50 EIAA CC(=O)Nc1ccc(-n2ccnc2-c2c(C)ccc3ncccc23)cc1 82128053 GOYYXOQNQYDXHC-UHFFFAOYSA-N 342.402 4.354 0 50 EIAA O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1CCCc2sccc21 123862980 GHJSGBZTLBVCTA-MRXNPFEDSA-N 338.436 4.337 0 50 EIAA O=C(Nc1cccc(-n2ccnc2)c1)c1ccc(F)cc1C(F)(F)F 135144365 QBBCUFUUGOQLIU-UHFFFAOYSA-N 349.287 4.283 0 50 EIAA COc1ccc(C(=O)/C=C\Nc2cccc(Br)c2)cc1 136195012 ZXPHLGLKTLNIBS-KTKRTIGZSA-N 332.197 4.266 0 50 EIAA O=C(c1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1)c1cc[nH]c1 170652104 DOBZMLAHFNMDFS-QFIPXVFZSA-N 348.446 4.208 0 50 EIAA Cc1ccc(CC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 273296777 MHSJTXIFHOWXRD-AEFFLSMTSA-N 347.455 4.117 0 50 EIAA Cc1ccc(Cl)c(C)c1NC(=O)N1CCC[C@@H](c2ccncn2)C1 299772830 AXTZYGGFYJTBJV-CQSZACIVSA-N 344.846 4.158 0 50 EIAA Cc1ccc([C@H](C)[C@@H](O)c2nc(Cc3c(F)cccc3F)no2)cc1 895993870 JEVYCIKGTFRNKG-KPZWWZAWSA-N 344.361 4.084 0 50 EIAA O=C(COc1ccc(F)c(Cl)c1)N1CCc2cc(Cl)ccc21 1439928051 YDHQRIJVJDLWIO-UHFFFAOYSA-N 340.181 4.101 0 50 EIAA CC(C)[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875329708 DZRZMEYRZJGNGU-VXGBXAGGSA-N 343.393 4.134 0 50 EIAA O=C(N[C@@H]1C[C@@H]1C1CCCC1)N1CCCCC[C@@H]1c1ccncc1 1875335873 JSFWGYVYGXBBNW-GUDVDZBRSA-N 327.472 4.287 0 50 EIAA C[C@H](NC1CCN(c2ccncc2)CC1)c1cc(-c2ccccc2)no1 2325774060 ZVTBSPBHPLEBKK-INIZCTEOSA-N 348.450 4.056 0 50 EIAA O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1ccccc1 281522 CGCJZUJUINYSFD-UHFFFAOYSA-N 341.407 4.221 0 50 EIAA COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1 423646 PTZBMKSGPMKOOT-UHFFFAOYSA-N 328.755 4.256 0 50 EIAA COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2Cl)cc1 471851 WWIGRUSCDSFULW-UHFFFAOYSA-N 339.222 4.366 0 50 EIAA CCSc1nnc(NC(=O)/C=C/c2c(F)cccc2Cl)s1 475108 PNUFTGWFFBKOCW-VOTSOKGWSA-N 343.836 4.095 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 514993 OPIHRWBLWSQGRJ-UHFFFAOYSA-N 338.451 4.324 0 50 EIAA COc1ccc(C)cc1NC(=O)N1CCC(Cc2ccccc2)CC1 612314 LKKUSTHJAQCKNF-UHFFFAOYSA-N 338.451 4.490 0 50 EIAA CCOc1ccc(-n2c(-c3ccoc3)nc3ccccc3c2=O)cc1 1078748 SFOBNHBMXMNYOI-UHFFFAOYSA-N 332.359 4.044 0 50 EIAA COc1ccccc1Nc1nc(-c2ccncc2)nc2ccccc12 2484215 MHFYWVFICDXILV-UHFFFAOYSA-N 328.375 4.444 0 50 EIAA O=C(c1c[nH]c(C(=O)C(F)(F)F)c1)c1ccc(Cl)cc1Cl 3069891 FWDBUXASJIFNLR-UHFFFAOYSA-N 336.096 4.298 0 50 EIAA CN(CCOC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 4523613 CUDVTJAWTCUJIK-UHFFFAOYSA-N 338.234 4.282 0 50 EIAA CCN(CC)C[C@@H](C)OC(=O)C(c1ccccc1)c1ccccc1 4723157 QRIJLHKJNFTDDV-QGZVFWFLSA-N 325.452 4.092 0 50 EIAA C/C(=N\N)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\N)CC[C@@]4(C)[C@@H]3CC[C@]12C 5033651 WVLSVRGWXOQKDI-JRUYLSLVSA-N 342.531 4.215 0 50 EIAA COc1ccccc1NC(=O)Nc1ccc(CN2CCCCC2)cc1 6725658 MHAQAQFGFJKCCG-UHFFFAOYSA-N 339.439 4.325 0 50 EIAA CCCCc1ccc(-n2nnc(C(=O)N(C)c3ccccc3)c2C)cc1 12274080 DDEPLORHLXJMHQ-UHFFFAOYSA-N 348.450 4.195 0 50 EIAA COCCCC1CCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1 12751621 VHQZDOMJPFHGDG-UHFFFAOYSA-N 346.446 4.428 0 50 EIAA CC(C)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 19827547 GNKGGKOKTDQBMT-RMKNXTFCSA-N 348.490 4.281 0 50 EIAA O=C(O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cnn12 20615706 ZIAFBPYDSVQTJJ-UHFFFAOYSA-N 349.777 4.415 0 50 EIAA CN(CCc1ccccc1)[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 20999074 UGCGHCYNODRLDK-JOCHJYFZSA-N 347.506 4.307 0 50 EIAA O=C(c1csc(-c2ccsc2)n1)N(CC1CC1)c1cccnc1 135534389 FEHBSTNBQPGMHI-UHFFFAOYSA-N 341.461 4.323 0 50 EIAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc2cc(Cl)ccc2o1 159813730 KNTODLVXNHHCCR-AWEZNQCLSA-N 333.815 4.308 0 50 EIAA Cn1c(S[C@@H]2CCCCc3ccccc32)nnc1-c1ccncc1 177179758 BIMAQYBTPSXPTR-QGZVFWFLSA-N 336.464 4.437 0 50 EIAA CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(C)cn1 223355038 MATZEGYRQQCJHE-KRWDZBQOSA-N 328.481 4.199 0 50 EIAA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 229955734 IYWXNCONOXNVSJ-RAUXBKROSA-N 329.399 4.055 0 50 EIAA Cn1c(C2CC2)nc2cc(CNC(=O)c3ccc(Cl)s3)ccc21 328590150 VNQCRSKAYWFBKT-UHFFFAOYSA-N 345.855 4.096 0 50 EIAA Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H](C)[C@H](C)C3)cc2F)n1 499589842 KSBOWRYVVCKEMC-QWHCGFSZSA-N 344.434 4.138 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 129020 DXDQAQJNFUBNPQ-UHFFFAOYSA-N 343.386 4.262 0 50 EIAA CCN(C(=O)COc1ccc(C)cc1Br)c1ccccc1 358955 NBTYPWZIQCANLE-UHFFFAOYSA-N 348.240 4.189 0 50 EIAA O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1cccs1 2293505 AHBCTZJURANERV-UHFFFAOYSA-N 335.431 4.489 0 50 EIAA CCc1c(C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)csc1C 2754998 DNHFKKTWSCHJFI-HNNXBMFYSA-N 342.508 4.278 0 50 EIAA CC[C@@H](NS(=O)(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 8326976 OOFWSWYJHGPRPA-UZZMVUAXSA-N 339.526 4.021 0 50 EIAA Cc1c(C(=O)Nc2cccnc2)sc2nc(-c3ccccc3)cn12 11758017 MDEJVGZQDAOUKQ-UHFFFAOYSA-N 334.404 4.019 0 50 EIAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(CCCc2ccccc2)C1 11997726 NCXJWJAGWMFLMO-KRWDZBQOSA-N 343.417 4.492 0 50 EIAA COc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(C)c1 14223699 CBUMZUNCKYBYKV-UHFFFAOYSA-N 333.453 4.003 0 50 EIAA COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1OC 20551120 CSDVOSSTKXKCFZ-ZDUSSCGKSA-N 340.423 4.075 0 50 EIAA Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)SCC(=O)N2 20893022 NZUCDXDLBLFSHH-MRXNPFEDSA-N 341.461 4.017 0 50 EIAA O=C(CCCc1ccc(Cl)cc1)N1CCC2(CCOCC2)CC1 71754316 ZMIANOOSZIIOGV-UHFFFAOYSA-N 335.875 4.082 0 50 EIAA CC(=O)c1cccc(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)c1 72476317 PNFRPEJRXHCETG-QFIPXVFZSA-N 349.474 4.303 0 50 EIAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(Cl)c2cccnc12 159435658 QQNLTPMMFSTMAD-ZDUSSCGKSA-N 344.842 4.110 0 50 EIAA Cc1nc(NC(=O)[C@@H]2CC2(Cl)Cl)c(-c2ccccc2)s1 170595456 JKPQZKCCAVZUMV-JTQLQIEISA-N 327.236 4.251 0 50 EIAA Cc1nccnc1[C@H](C)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 188404659 WHRQZWJHGHXKAL-HNNXBMFYSA-N 333.439 4.158 0 50 EIAA CC[C@H]1CCCCN1S(=O)(=O)c1cc(C(C)C)c(C)cc1OC 231423911 INSJVCLZHFTPKU-HNNXBMFYSA-N 339.501 4.080 0 50 EIAA O=C(C[C@@H](c1ccccc1)C(F)(F)F)N(Cc1ccncc1)C1CC1 264136819 LIVUYMQYDGIOBL-KRWDZBQOSA-N 348.368 4.309 0 50 EIAA CN(Cc1ccc(OCC[C@H]2CCCCN2)cc1)Cc1cccs1 299777694 FMRYILYFMIRHNM-GOSISDBHSA-N 344.524 4.291 0 50 EIAA O=C(C1=CCOCC1)N1CC[C@@H](c2cccc(Oc3ccccc3)c2)C1 373530533 CBUQCNUKESKUIU-LJQANCHMSA-N 349.430 4.142 0 50 EIAA Cc1cc(N2CCC[C@H](C(=O)c3ccccn3)C2)nc2ccc(F)cc12 1506403576 QFVHYQRLXRIWCF-HNNXBMFYSA-N 349.409 4.177 0 50 EIAA C[C@H](c1nc(-c2ccnc3ccccc23)no1)C1CCC(C)(O)CC1 1875392761 RYYHJMYFPOVMNR-LTQQYIGLSA-N 337.423 4.330 0 50 EIAA O=C(N[C@H]1CCCc2[nH]ccc21)c1cncc(-c2cccc(F)c2)c1 2325864876 CDYLEGLDEDORAZ-IBGZPJMESA-N 335.382 4.023 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)c1cc(Br)ccc1O 139689 IACIEELCBUGESW-UHFFFAOYSA-N 344.567 4.200 0 50 EIAA COc1ccccc1-c1nn2c(-c3cccc(Cl)c3)nnc2s1 526568 WJWGLIOBFNUVGW-UHFFFAOYSA-N 342.811 4.182 0 50 EIAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)c2ccc(Br)cc2)C1 2304898 WKBLOZSJOWBALR-UONOGXRCSA-N 337.213 4.079 0 50 EIAA Cc1ccccc1C(=O)NCCSCc1c(F)cccc1Cl 2815340 YJNDOLCYPUDFRK-UHFFFAOYSA-N 337.847 4.451 0 50 EIAA C[C@H]1C[C@H](OC(=O)CCC(=O)Nc2ccc(F)cc2F)CC[C@H]1C 4654038 RPFFOOSNJXMCPE-MBNYWOFBSA-N 339.382 4.051 0 50 EIAA N=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 5101252 IWEZRUQXJRJILT-SDQBBNPISA-N 339.203 4.392 0 50 EIAA CC(=O)N1CCC(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 6726455 IDGLOWQMNBUVMQ-UHFFFAOYSA-N 330.472 4.130 0 50 EIAA c1ccc2c(c1)ccc1nnc(SCc3nc4ccccc4[nH]3)n12 11906268 GVGJHRNJNNQYSM-UHFFFAOYSA-N 331.404 4.051 0 50 EIAA c1cc(CNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)no1 12094190 RPJYXDRQBMWUDA-UHFFFAOYSA-N 335.411 4.186 0 50 EIAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(CC(C)C)C3)c1 12333697 NJRGEWNOCWZPQS-UHFFFAOYSA-N 341.451 4.221 0 50 EIAA O=C(COc1ccc(F)cc1F)Nc1ccc(C(F)(F)F)cc1 13329589 YHFPAQZMONAGDJ-UHFFFAOYSA-N 331.240 4.001 0 50 EIAA C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2Cl)C1 13331321 VBWLZRXCDZUBDD-NXEZZACHSA-N 330.653 4.221 0 50 EIAA Clc1nc2c(Br)ccc(Br)c2s1 14985058 TXWNWETWXGSSSJ-UHFFFAOYSA-N 327.428 4.475 0 50 EIAA CCCc1[nH]c([C@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccccc1 19770646 IPCQWYXZQXYIIW-INIZCTEOSA-N 325.456 4.001 0 50 EIAA CCCCc1nc(CN(Cc2cccnc2)Cc2ccsc2)c[nH]1 55403631 BUXMNSNJHKDWBC-UHFFFAOYSA-N 340.496 4.411 0 50 EIAA Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1 77298219 ZYRHLJIJHJDXBA-KRWDZBQOSA-N 348.446 4.408 0 50 EIAA CC(C)c1nc(CCN2C[C@](C)(c3ccccc3)CCC2=O)cs1 91602996 SCOFKKFFAWOEMT-HXUWFJFHSA-N 342.508 4.389 0 50 EIAA COc1ccc(C(N)=O)cc1-c1ccc([C@H](C)N2CCCCC2)cc1 96163256 RFOHLYDWJLVYOO-HNNXBMFYSA-N 338.451 4.008 0 50 EIAA Cc1cc(Br)cc(Nc2nccc(C(F)(F)F)n2)c1 117699016 LLCYYUOGLULSRC-UHFFFAOYSA-N 332.123 4.310 0 50 EIAA Cc1ccc2oc(C(=O)N3CCCCC[C@@H]3c3cccn3C)cc2n1 170921986 MWNVYIJZNNFYQM-QGZVFWFLSA-N 337.423 4.232 0 50 EIAA Cc1csc(C(=O)Nc2ncccc2Cl)c1Br 191467698 YDFGSOJCMIVNHT-UHFFFAOYSA-N 331.622 4.120 0 50 EIAA CC1=C(CCN2CCn3nc([C@H](O)C4CC4)cc3C2)C(C)(C)CCC1 221379641 MNRYTKBCZBGZAH-HXUWFJFHSA-N 343.515 4.059 0 50 EIAA O=C(OCc1cc2c(Cl)cccc2[nH]1)c1ccnc2ccncc12 225389658 KYTSAALSVYYSIF-UHFFFAOYSA-N 337.766 4.122 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n1 257365262 UDCMKNOLKHGTHB-ULQDDVLXSA-N 344.455 4.448 0 50 EIAA Cc1sccc1CC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 346261264 ZAOPONIVUUZLQN-ROUUACIJSA-N 347.455 4.117 0 50 EIAA CN(Cc1cc(Cl)cc(Cl)c1)Cc1nc(-c2ccccn2)no1 363395697 OTZUQMRUDJJUBI-UHFFFAOYSA-N 349.221 4.070 0 50 EIAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)c2c(O)cccc21 469293716 QCYJPTYQHOZBTF-GHNFSYLKSA-N 333.431 4.137 0 50 EIAA CCc1cccc(CC)c1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653534070 YMUSAZCYIIPXGA-UHOFOFEASA-N 346.471 4.068 0 50 EIAA COC[C@@H](C)N(Cc1ccccc1C)Cc1c(F)ccc(OC)c1F 952991125 ZKLNDJMSEGAMBM-OAHLLOKOSA-N 349.421 4.319 0 50 EIAA O=C(Nc1ccc(Oc2cccnc2)cc1)c1c[nH]nc1-c1ccco1 1450781443 IBMQHFUPHLMNJC-UHFFFAOYSA-N 346.346 4.109 0 50 EIAA C[C@H]1CN(C)CC[C@@H]1n1ccnc1-c1ccc(-c2ccccn2)cc1 1875245976 VJAIOAQSNKISER-JXFKEZNVSA-N 332.451 4.125 0 50 EIAA Cc1cc([C@H](C)NC(=O)Nc2ccc3c(c2)OCO3)cc(C)c1F 2325737980 XAAQPTMPSUUUKJ-LBPRGKRZSA-N 330.359 4.054 0 50 EIAA O=C(/C=C/c1cccs1)Nc1sc2c(c1C(=O)O)CCCCC2 87332 RSEDHKBDOFWBFB-CMDGGOBGSA-N 347.461 4.429 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 266728 ARYGMOALUJRILH-UHFFFAOYSA-N 332.403 4.323 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 451205 NGURJQAPZILGIZ-UHFFFAOYSA-N 344.842 4.348 0 50 EIAA Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 464701 NWZZJRQVWCSFQH-UHFFFAOYSA-N 339.420 4.084 0 50 EIAA COc1ccccc1OCc1ccc(C(=O)OC2CCCCC2)o1 467566 IHINBUOSRCWQGF-UHFFFAOYSA-N 330.380 4.357 0 50 EIAA CCCc1sc(C(=O)N2CCC[C@@H](C)C2)cc1Br 1459127 GHBNHSGVMCWYJN-SNVBAGLBSA-N 330.291 4.335 0 50 EIAA COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 3421936 KEHBTNZSXRLCHQ-UHFFFAOYSA-N 343.423 4.262 0 50 EIAA COc1ccc(N[C@@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 3880779 JCMQLWPRURKMRA-NRFANRHFSA-N 331.371 4.179 0 50 EIAA O=C1c2ccccc2C(=O)N1CNc1ccc2c(c1)oc1ccccc12 4016365 CJKODBKJMPOTCI-UHFFFAOYSA-N 342.354 4.252 0 50 EIAA COc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1Cl 4413185 LKAMUTLKMZYZKO-UHFFFAOYSA-N 326.783 4.458 0 50 EIAA CCN(CC)C[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1 4723158 QRIJLHKJNFTDDV-KRWDZBQOSA-N 325.452 4.092 0 50 EIAA COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1 4973310 BHXNQYGMADPAPQ-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)CC2=O 5015845 LLWQQZMFDHMPRV-GFCCVEGCSA-N 347.208 4.185 0 50 EIAA CCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3)[nH]c2c1 5691432 OQUQKXZKOOTYDJ-UHFFFAOYSA-N 341.436 4.001 0 50 EIAA CCCc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1 7636169 WRSPWPVABKLOQI-UHFFFAOYSA-N 331.423 4.151 0 50 EIAA CC[C@@H](NC(=O)c1c(Cl)c(C)nn1C)C12CC3CC(CC(C3)C1)C2 8326965 MWXRECYZLDWZID-BCFZYGEVSA-N 349.906 4.107 0 50 EIAA C[C@H](NC(=O)CSc1cc(-c2ccccc2)ncn1)c1ccccc1 11903055 KCDBWBHFQXPVAJ-HNNXBMFYSA-N 349.459 4.113 0 50 EIAA COc1ccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)c(F)c1 12714275 UEROROQIZAVJSB-HNNXBMFYSA-N 347.455 4.299 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nn1 72442268 HKLXDRLTSCPQSB-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA O=C(OCc1ccccc1)N1CCc2ccc(Br)cc2C1 95495800 RRSOZVJLXHQQSF-UHFFFAOYSA-N 346.224 4.144 0 50 EIAA in-vitro O=C(N[C@H]1CCSc2ccccc21)N[C@@H]1CCOC2(CCCC2)C1 132984589 NGFSGFVIHZBPBS-ZBFHGGJFSA-N 346.496 4.015 0 50 EIAA COc1ccc2nc(Cl)c(C(=O)Nc3ccc(F)cc3F)cc2c1 151710712 UAYJAYOKPOMRNY-UHFFFAOYSA-N 348.736 4.427 0 50 EIAA COc1ccc(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)c(C)c1 151854715 DFLZYFJTXQDUSX-UHFFFAOYSA-N 349.434 4.367 0 50 EIAA CCCN(Cc1ccc2ncccc2c1)[C@@H](C)C(=O)Nc1ccccc1 170591375 LAVSSFRRWSDJNX-KRWDZBQOSA-N 347.462 4.474 0 50 EIAA O=C(c1scc2c1CCCC2)N1CCCC[C@@H]1c1ccccn1 216229638 LTBOEUWQXATIRG-QGZVFWFLSA-N 326.465 4.389 0 50 EIAA Cc1cccc(C[C@@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)n1 221436874 XBLXMEGFFYOKRN-OAHLLOKOSA-N 336.391 4.136 0 50 EIAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCCC[C@H]1c1ccncc1 241969581 UXOVRRGRJJDKIX-AQNXPRMDSA-N 338.426 4.468 0 50 EIAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(C(=O)O)ccc4[C@H]3CC[C@@]12C 261494739 BQUPETXJTSLVRT-DRJBRKBZSA-N 342.435 4.173 0 50 EIAA FC(F)(F)c1cnc(-c2nc(Cl)c3c(n2)CCC3)c(Cl)c1 261494972 YWNFLZVKTWFDAA-UHFFFAOYSA-N 334.128 4.353 0 50 EIAA O=C(O)c1ccc(CCC(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1 262726545 HIVJOWWBPDLJJZ-HKFHZZIHSA-N 349.430 4.022 0 50 EIAA Cc1c(NC(=O)N[C@@H](C)c2ccc(O)cc2)cccc1N1CCCC1 299777651 CLYSJHGTAYRTSJ-HNNXBMFYSA-N 339.439 4.184 0 50 EIAA CC(C)C[C@H](NC1CCN(Cc2ccco2)CC1)c1cccnc1 952970841 BHZMGAXOCHJRHL-FQEVSTJZSA-N 327.472 4.016 0 50 EIAA Fc1ccc(Cn2cc(OC[C@@H]3CCC[C@H]3C(F)(F)F)cn2)cc1 1875327967 RKVZCBVTCFDGNZ-XJKSGUPXSA-N 342.336 4.428 0 50 EIAA C[C@@H]1CC(c2ccccc2F)=NN(Cc2ccc(Cl)cc2)C1=O 1875334295 ITOXXXBSJCGKHO-GFCCVEGCSA-N 330.790 4.252 0 50 EIAA Oc1nc(N2CCC[C@@H](CCCc3ccccc3)C2)ncc1Cl 2325724082 PTLQYWDQRVONFZ-OAHLLOKOSA-N 331.847 4.075 0 50 EIAA O=C(Nc1c[nH]ccc1=NC1CC1)c1csc(C2CCCCC2)c1 2325869310 IKLAWHVDPXCZJA-UHFFFAOYSA-N 341.480 4.439 0 50 EIAA Cc1cccc(-c2noc(-c3cc(O)nc4cc(F)ccc34)n2)c1F 2325869548 SURKWXPMEIHLEH-UHFFFAOYSA-N 339.301 4.244 0 50 EIAA CCc1nc2ccccc2n1C[C@H](O)COc1ccc(C(C)C)cc1 242923 KGPZASWNRPVDKT-KRWDZBQOSA-N 338.451 4.162 0 50 EIAA O=c1oc2ccccc2cc1-c1ccc(I)cc1 282396 SECODLMNIMINDN-UHFFFAOYSA-N 348.139 4.065 0 50 EIAA in-vitro O=C(Nc1nccs1)c1ccc(CSc2ccccn2)cc1 386489 JRRRWAVCAZWVNA-UHFFFAOYSA-N 327.434 4.083 0 50 EIAA COc1ccc(C)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 441059 YHHDKSVVHZFHKH-UHFFFAOYSA-N 327.424 4.319 0 50 EIAA CCCc1nnc(NC(=O)c2oc3ccc(Cl)cc3c2C)s1 615669 KNKSUNXFBKSLSS-UHFFFAOYSA-N 335.816 4.451 0 50 EIAA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 1230499 CISITBRPEMDNKG-JTQLQIEISA-N 330.236 4.033 0 50 EIAA CCOC(=O)C(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)OCC 1751363 LLOJSZZGHTUNKJ-UHFFFAOYSA-N 348.782 4.110 0 50 EIAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SC 2881503 AEYILBKXYYXNNE-ZDUSSCGKSA-N 342.464 4.189 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1C 5077497 XWEUJDWAPCWCQJ-UHFFFAOYSA-N 348.196 4.016 0 50 EIAA CCc1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 6700000 YAFKXMOIGGNTOU-UHFFFAOYSA-N 337.467 4.035 0 50 EIAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccccc2)c1 11874017 SJKNXZKKGSGFFI-FQEVSTJZSA-N 345.446 4.297 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccon1 12439005 QILQULRSUHVKTA-GOSISDBHSA-N 340.810 4.166 0 50 EIAA O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](Nc2ccccc2)C1 12449331 ZADQLGJWJYPMAY-OAHLLOKOSA-N 348.368 4.422 0 50 EIAA CCC1=NO[C@H](Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)C1 20363719 OCSDXHIFHRSRKB-IBGZPJMESA-N 332.407 4.167 0 50 EIAA Cc1ccc2c(C(=O)N3CCCCCC3)cc(-c3cn[nH]c3)nc2c1C 20906507 PPGBCCSZLOASFJ-UHFFFAOYSA-N 348.450 4.258 0 50 EIAA C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(Cl)cc4)cn1c23 33088859 KMFLACBMGDOPPB-NSHDSACASA-N 338.794 4.024 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCC[C@H](C)C3)cc2)n1 48441271 DGHDQSCGOAHSQJ-INIZCTEOSA-N 339.483 4.011 0 50 EIAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F 82092390 MEPRGQSZFKYZEN-HNNXBMFYSA-N 349.837 4.069 0 50 EIAA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3)CC2)C1 95352348 VYVKGRXMRSOHTB-OAQYLSRUSA-N 348.490 4.028 0 50 EIAA CCc1nc(C)sc1CN1CCC[C@@H](c2nccn2C(C)C)C1 95387249 NTEYONVMOZBHPP-OAHLLOKOSA-N 332.517 4.171 0 50 EIAA CCOc1ccc(NC(=O)N[C@@H](CC)c2cc(C)ccn2)c(F)c1 97568992 FLCSYJXMPWDMMY-HNNXBMFYSA-N 331.391 4.201 0 50 EIAA Cc1cnn(CCCCC[S@](=O)Cc2cccc3ccccc23)c1 170643307 DOCUBIVCIDPPCL-DEOSSOPVSA-N 340.492 4.464 0 50 EIAA CCSCc1ccnc(NC(=O)c2cccnc2C(F)(F)F)c1 188430245 NIXJKQZFUYKWGQ-UHFFFAOYSA-N 341.358 4.001 0 50 EIAA C[C@H](NC(=O)[C@H]1C[C@H]1c1cccnc1)c1ccc(C(F)(F)F)cc1 241965769 UVMHCQUVKKUNIH-UVBJJODRSA-N 334.341 4.081 0 50 EIAA Cc1nnc([C@H](C)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)o1 249441048 SWVUHQBAEVOQNS-UWVGGRQHSA-N 344.242 4.145 0 50 EIAA COCc1ccc([C@H]2CCCN2c2cnc(-c3ccccc3)cn2)o1 291762023 BCLVSKVSMFQMAM-GOSISDBHSA-N 335.407 4.225 0 50 EIAA Cc1nc(C(C)C)oc1C(=O)N1C[C@@H](C)Oc2c(Cl)cccc21 293722710 VSPAQCRYNRSGMU-SNVBAGLBSA-N 334.803 4.188 0 50 EIAA CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(CCc2cccc(F)c2F)o1 299753933 ZWCSUSMHYYHOSN-LRDDRELGSA-N 336.382 4.052 0 50 EIAA CC1(C)C[C@H](NC(=O)c2[nH]c3ccc(F)cc3c2Cl)C(C)(C)O1 408138521 JXGOLGWQQBVEAF-LBPRGKRZSA-N 338.810 4.036 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N(C)CCCN3CCCC3)cc2)cc1 823636610 ACFPRNCIQBQYRN-UHFFFAOYSA-N 336.479 4.220 0 50 EIAA Cc1nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)c2sccc2n1 2100483185 XEYXWXRHMLLRIJ-CYBMUJFWSA-N 339.464 4.060 0 50 EIAA Cc1cc(C)cc(OCC(=O)Nc2ccc(Br)cc2C)c1 307655 HPXUMMZRFRLDPI-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1 1777932 XLMVVNSUHMGRKE-KPKJPENVSA-N 341.407 4.145 0 50 EIAA CCCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 2133824 YUMBYDBKTAXZPI-UHFFFAOYSA-N 332.400 4.201 0 50 EIAA O[C@]1(c2ccccc2)CC[C@H](c2ccccc2)[C@@]1(O)c1ccccc1 6864517 XQYDCDIWHVZGRN-VJBWXMMDSA-N 330.427 4.340 0 50 EIAA Cc1cnnn1-c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 9763973 OATXYTYQDWANLZ-UHFFFAOYSA-N 347.205 4.135 0 50 EIAA Fc1ccc(-c2cnnc(N3CCC[C@@H]3c3ccc(F)cc3)n2)cc1 11703749 ZSGFFNVUMAGDFG-GOSISDBHSA-N 338.361 4.158 0 50 EIAA CC(C)(Oc1ccccc1)C(=O)Nc1ccccc1Br 12381193 IEZIIKTZXBXPAH-UHFFFAOYSA-N 334.213 4.245 0 50 EIAA CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 12404365 BABYMSNJEAENMS-CYBMUJFWSA-N 326.396 4.075 0 50 EIAA COc1ccc([C@@H](O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 16675873 CHSNMVQHOCHPDK-HNNXBMFYSA-N 334.828 4.051 0 50 EIAA CCCCCc1nnc(NC(=O)c2cccc3cccnc23)s1 19627415 SNFUACMWLMJDKF-UHFFFAOYSA-N 326.425 4.071 0 50 EIAA CCN1CCN(CCCCOc2ccc(C(C)(C)C)cc2C)CC1 20390103 SHKUUAMJPVSMNB-UHFFFAOYSA-N 332.532 4.089 0 50 EIAA C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccccc2-c2ccccc2)C1 35052962 ABPFCTGMKMWQTL-GGPKGHCWSA-N 339.479 4.071 0 50 EIAA CC[C@@H](C)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F 67473211 GQKHGMDQIHYDTD-GFCCVEGCSA-N 334.366 4.205 0 50 EIAA CN(C(=O)c1ccc(-n2ccnc2)cc1)[C@H]1CCCc2ccccc21 77377676 YMHCFTKLELNPDD-FQEVSTJZSA-N 331.419 4.022 0 50 EIAA O=C(O)c1cccc(CC2CCN(c3ccc4ccccc4n3)CC2)c1 77471764 CCYDCZCORVLJHZ-UHFFFAOYSA-N 346.430 4.392 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3nc(C)no3)oc2c1 91625603 ANHOTPGBIKUZPR-HNNXBMFYSA-N 339.395 4.108 0 50 EIAA CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc2nccnc12 97575068 GZAHWDURHLONOA-UHFFFAOYSA-N 343.789 4.085 0 50 EIAA CN(CCCc1ccc(OC(F)(F)F)cc1)CCc1ccncc1 170616090 NZGPDZPBGIEXDD-UHFFFAOYSA-N 338.373 4.087 0 50 EIAA O=C(N[C@H]1CCCc2sccc21)c1c[nH]nc1-c1ccsc1 189153339 BTBMXUNMXLFYMQ-ZDUSSCGKSA-N 329.450 4.007 0 50 EIAA CCCC[C@@H]1C(=O)CC[C@@H]2[C@H](C/C=C/CCCC(=O)O)C(=O)C[C@H]12 204907464 CGCZPIJMGKLVTQ-WXGPFVCYSA-N 334.456 4.178 0 50 EIAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCC[C@@H]1c1ccncc1)C2 229746251 HRGAOXDSIXXYEJ-CLWJZODNSA-N 327.472 4.143 0 50 EIAA COc1ccc([C@@H]2CN(C)C[C@H]2C(=O)c2ccc(C)cc2)cc1Cl 248143094 GJASQCPZJSUPBP-DLBZAZTESA-N 343.854 4.185 0 50 EIAA C[C@@H](c1cccc(NCc2cnc3ccccc3c2)c1)N1CCOCC1 269307926 HKWKYOWBRQVYDI-KRWDZBQOSA-N 347.462 4.240 0 50 EIAA CC(C)[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2n1C(C)C 334162720 YJMKBILNFFFUDL-GOSISDBHSA-N 336.439 4.139 0 50 EIAA CCn1ncc(-c2cccc(C(=O)NCCCc3ccccc3)c2)c1C 534674494 GYHQKERJBBLKHN-UHFFFAOYSA-N 347.462 4.241 0 50 EIAA O=C(O)c1ccc2c(c1)[C@@H](CNCc1ccc3[nH]ccc3c1)CCC2 901878956 NEJDYRHZXSRWAK-GOSISDBHSA-N 334.419 4.076 0 50 EIAA Cc1ccc(-c2cc(CN(C)CCCc3c(C)n[nH]c3C)on2)cc1 1529094434 GNITWPMXMSSBOA-UHFFFAOYSA-N 338.455 4.055 0 50 EIAA COc1c(-c2noc(/C=C/c3cnc(C)s3)n2)oc2ccccc12 1875265239 AIIJSQDMAKJUCN-BQYQJAHWSA-N 339.376 4.427 0 50 EIAA Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c(C)c1 150371 CONRWDBCPFRZIS-CYBMUJFWSA-N 348.240 4.472 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1Cl 313997 GQILNHDSVBHFKF-UHFFFAOYSA-N 330.815 4.495 0 50 EIAA CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cn2)cc1 446377 OFIJBCSFPAQJIR-UHFFFAOYSA-N 333.229 4.394 0 50 EIAA O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCO2 1054055 NPOZWSXDVZNZGJ-UHFFFAOYSA-N 331.371 4.258 0 50 EIAA Cc1cc(C)c(OCC(=O)Nc2cccc(Br)c2)c(C)c1 3153554 ASIRBCOYCZEBAY-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CC(C)N(C(=O)Cn1c(C2CC2)nc2ccccc21)c1ccccc1 4810286 GKSDVCURGKUFDB-UHFFFAOYSA-N 333.435 4.355 0 50 EIAA O=C(O)c1cc(-c2ccc(Br)cc2)nn1-c1ccccc1 6252597 XBPGSUDOTLLOGQ-UHFFFAOYSA-N 343.180 4.000 0 50 EIAA CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 7408403 FSPCZABAVXPQNI-UHFFFAOYSA-N 330.815 4.074 0 50 EIAA Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCc1cccnc1 11692913 YLQLVNMGVSWYHT-UHFFFAOYSA-N 326.783 4.233 0 50 EIAA CCCCC[C@H](C)NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 17068455 QIRQFUZCEDDFDO-ZDUSSCGKSA-N 332.469 4.357 0 50 EIAA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccsc1)SCC(=O)N2 21523903 MJSBEVWMENCDMG-INIZCTEOSA-N 341.461 4.017 0 50 EIAA Cc1ccc(-c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2)cc1 97681845 WYXWIBFERBQYBG-UHFFFAOYSA-N 336.435 4.449 0 50 EIAA Cc1ccoc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 189685227 DLRFNZBVVYAGCE-QGZVFWFLSA-N 335.407 4.346 0 50 EIAA Cc1ccc(C)c(OC2CCN(Cc3ccc(C(=O)O)cc3)CC2)c1 263570676 ILUGLIFVUDAGPE-UHFFFAOYSA-N 339.435 4.045 0 50 EIAA CSCC1CCN(C(=O)c2cccc(-c3ccncc3F)c2)CC1 299772938 CYLAGUBXCBHNCH-UHFFFAOYSA-N 344.455 4.103 0 50 EIAA O=C(COc1ccc(F)c(Cl)c1)O[C@@H]1CCC[C@H]1c1cccnc1 2325743012 PZTYMVWQEHPORV-WMLDXEAASA-N 349.789 4.132 0 50 EIAA O=C(O)[C@@H]1[C@@H]2Cc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc3[C@H]21 2325853296 KZBCXTPOFWQBFZ-CEMLEFRQSA-N 330.427 4.301 0 50 EIAA CC(=O)Nc1ccc(Nc2ccc(-c3cccc(F)c3F)cn2)cn1 2356165061 RIVCCAXJNXZZRD-UHFFFAOYSA-N 340.333 4.124 0 50 EIAA Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 145368 XAGDIEHCVWGSKC-UHFFFAOYSA-N 338.841 4.059 0 50 EIAA NC(=O)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 282315 GPYPKGJDNITRCU-IBGZPJMESA-N 337.467 4.461 0 50 EIAA O=C(Nc1cccc(Br)c1)Nc1ccc2nccnc2c1 303123 KHMUTGSWXTXIRO-UHFFFAOYSA-N 343.184 4.036 0 50 EIAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(F)c1 308586 BKMWAWNOWSXXHY-UHFFFAOYSA-N 328.170 4.458 0 50 EIAA Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1Cl 370732 PZSXEAMCFUOFNM-ZDUSSCGKSA-N 332.831 4.120 0 50 EIAA O=C1CS[C@H](c2c(F)cccc2Cl)N1c1cccc(F)c1 431359 WDFLKGNRDVVIJN-OAHLLOKOSA-N 325.767 4.397 0 50 EIAA COc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1 450963 RIFRBBGTAIHMRC-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccccc1C 1066462 PRFMSESZNLTJIV-ZDUSSCGKSA-N 333.815 4.371 0 50 EIAA COc1cccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)c1 2267828 XSHXZGUPONVCNV-QGZVFWFLSA-N 346.430 4.276 0 50 EIAA CC(C)(C)c1ccc(Cn2cnc3cc(Cl)ccc3c2=O)cc1 4542314 MJKDTFHKZGBLML-UHFFFAOYSA-N 326.827 4.396 0 50 EIAA Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccco2)o1 4851540 JBZNROJDQFGXJN-ZDUSSCGKSA-N 326.377 4.234 0 50 EIAA COc1ccc(-c2cc(O)n3nc(-c4cccc(C)c4)cc3n2)cc1 5730720 HOKSPFOXNBXXOC-UHFFFAOYSA-N 331.375 4.086 0 50 EIAA O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccccc1F 15839935 VPMOIOCFTZMLEG-SFHVURJKSA-N 340.785 4.394 0 50 EIAA CC(C)c1cc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)cs1 77506008 DDADRJVWAUJMKJ-UHFFFAOYSA-N 339.464 4.329 0 50 EIAA CSc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1 115379598 YALPLUAZYZHUDY-UHFFFAOYSA-N 337.235 4.303 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)N1CCCc2cc(F)ccc21 188532352 PAKMOSSNTODCQF-UHFFFAOYSA-N 330.428 4.136 0 50 EIAA O=C(N[C@H]1CCOc2c(F)cccc21)[C@@H]1C[C@H]1c1ccc(Cl)cc1 188963923 JHKNDAHBZYQYNV-UXLLHSPISA-N 345.801 4.223 0 50 EIAA O=C(NC1CCCCC1)[C@@H]1CCCN([C@H]2CCCc3ccccc32)C1 239667435 BQAPKQILMDHOEJ-NQIIRXRSSA-N 340.511 4.225 0 50 EIAA O=C(c1cc2ccccc2s1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 268342818 PMJZVLFVZRVJKB-HUUCEWRRSA-N 341.432 4.223 0 50 EIAA CCOc1cc(-c2csc3ccccc23)cc2c1OCCNC2 299772193 ZVILDQRNXXWIPB-UHFFFAOYSA-N 325.433 4.449 0 50 EIAA O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1C(C1CCC1)C1CCC1 328595224 OLXHKINTTJFODP-UHFFFAOYSA-N 346.858 4.073 0 50 EIAA O=C(NC1CCC(F)(F)CC1)N[C@H]1CCOc2c(Cl)cccc21 332147471 LZZIOJMBFQNUGA-ZDUSSCGKSA-N 344.789 4.041 0 50 EIAA CC(C)c1nc([C@H]2CCCCN2c2nc(C3CCCC3)ns2)n[nH]1 333635462 BLODUQLFTXINAD-CYBMUJFWSA-N 346.504 4.169 0 50 EIAA NC(=O)c1csc(CNc2ccc3nc(C(F)F)sc3c2)c1 353104310 WMGGKQSSSIMIKN-UHFFFAOYSA-N 339.392 4.006 0 50 EIAA COc1cccc(C2CCN(C(=O)c3cc[nH]c3C3CC3)CC2)c1F 375990986 FBBDRNGPTRFJTB-UHFFFAOYSA-N 342.414 4.060 0 50 EIAA Cc1ncoc1-c1ccc(NC(=O)C2(C(=O)O)CCCCCC2)cc1 902865340 JXBLPTZPKGXGJQ-UHFFFAOYSA-N 342.395 4.014 0 50 EIAA O=c1[nH]c(C=Cc2ccc(-c3ccccc3Cl)o2)nc2cnccc12 1857530763 RZAMGNYPTNJMMR-UHFFFAOYSA-N 349.777 4.402 0 50 EIAA Cn1nc(C2CC2)cc1CNc1ccc(-c2cn3c(n2)CCCC3)cc1 1875265570 JQIODIGQMNBECM-UHFFFAOYSA-N 347.466 4.109 0 50 EIAA CC(C)C[N@]1C[C@@H]1COc1ccc(-c2coc3ccccc3c2=O)cc1 1875384996 KRPGAJJTXUHBFM-UZUQRXQVSA-N 349.430 4.179 0 50 EIAA O=C(NCc1cccc2occc12)Nc1ccccc1N1CCCC1 2325756969 YPGMGKLBMQNGRI-UHFFFAOYSA-N 335.407 4.355 0 50 EIAA CC(C)=CCC[C@H](C)CC(=O)Nc1ccccc1[C@H]1CNC(=O)C1 2325800243 ZLHOLPACCCVWJK-JKSUJKDBSA-N 328.456 4.001 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@@H](Cc1ccccc1C)C1CC1 2325841304 NSCNDRLVIRJWPJ-CVDCTZTESA-N 337.507 4.065 0 50 EIAA COc1ccc(-c2cc(CN3CCC[C@H](OC)C3)ccc2F)cc1F 2356148130 IULGSOMLJMONRH-INIZCTEOSA-N 347.405 4.251 0 50 EIAA Cc1ccc(NC(=O)COc2ccccc2C)c(Br)c1 130076 LBPDGFBMIMLZEK-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O 389347 ZRYSIWWDHPTVNZ-UHFFFAOYSA-N 342.778 4.325 0 50 EIAA biogenic CC(C)Oc1ccc(COc2cccc(CC(=O)O)c2)cc1Cl 395753 GLFLCHKTOFZNFB-UHFFFAOYSA-N 334.799 4.333 0 50 EIAA Cc1ccnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 795332 BZGJNGPTZKFTRS-SNVBAGLBSA-N 325.195 4.103 0 50 EIAA COc1ccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c(OC)c1 2854082 AXJXSLPOQKYZRV-AWEZNQCLSA-N 344.480 4.368 0 50 EIAA C[C@H](SCc1ccccc1)C(=O)NCCSc1ccccc1 2979915 IZUSJUWWTPUXRU-HNNXBMFYSA-N 331.506 4.217 0 50 EIAA Cc1cc(C)cc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)c1 4593178 HBHAUFPMBOKSEX-UHFFFAOYSA-N 327.380 4.289 0 50 EIAA CCCCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33088780 GVRWJLLEENVLQV-UHFFFAOYSA-N 346.430 4.153 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCCC[C@H]3C)cc2)n1 48435646 ZKBSSPPZVQFFPS-MRXNPFEDSA-N 339.483 4.154 0 50 EIAA CC[C@H](C)N(Cc1ccncc1)C(=O)CCc1ccc(F)c(F)c1 55568884 JMVHFAAEUQCLGR-AWEZNQCLSA-N 332.394 4.120 0 50 EIAA Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1 57354897 ORTSOOMFCFDSQP-UHFFFAOYSA-N 328.799 4.164 0 50 EIAA O=C(CCNCc1ccc2sccc2c1)Nc1ccccc1F 65526576 MNMMHTGLUMMYCP-UHFFFAOYSA-N 328.412 4.159 0 50 EIAA CCCc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)no1 71721683 KAGNZALMOTZBKM-INIZCTEOSA-N 344.430 4.251 0 50 EIAA CCc1cc(NCCCSCc2ccccc2F)n2nccc2n1 72448274 NFRZHSIQBXSBJF-UHFFFAOYSA-N 344.459 4.166 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccc2F)C1 77303350 ZBSCFBNZWFRNRN-HNNXBMFYSA-N 336.366 4.110 0 50 EIAA c1ccc2nc(N3CCC[C@@H](c4nccn4CC4CCC4)C3)cnc2c1 95374412 FSSONLDXXUZXIG-QGZVFWFLSA-N 347.466 4.010 0 50 EIAA C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 100772612 TWERYHRCEGDWKB-WBMJQRKESA-N 347.336 4.389 0 50 EIAA Cc1ccc(S(=O)(=O)/C=C/c2ccc(Br)cc2)cc1 143849935 HAVYSXNEPKDJOR-ZHACJKMWSA-N 337.238 4.202 0 50 EIAA Fc1ccccc1-c1nnc(SCCOC2CCCCCC2)[nH]1 170631409 FVLVKPFVXLQBBU-UHFFFAOYSA-N 335.448 4.442 0 50 EIAA COc1ncc(C)cc1NC(=O)c1cccc(-c2nc(C)cs2)c1 173508803 NZWBHLPZQMNITG-UHFFFAOYSA-N 339.420 4.083 0 50 EIAA CCOc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C)c1Cl)CCO2 185595983 GMXIKDNTSMMQAS-INIZCTEOSA-N 345.826 4.301 0 50 EIAA Cc1cc(C)c2c(C)c(C(=O)NCCCOCc3ccco3)oc2c1 238950221 XFLVPSMRZZBYKZ-UHFFFAOYSA-N 341.407 4.288 0 50 EIAA O=C(N[C@H]1COC2(CCCCC2)C1)c1c(Cl)cccc1Cl 244900100 ZWCAHFSPOIAZTM-LLVKDONJSA-N 328.239 4.215 0 50 EIAA NC1(c2noc([C@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)n2)CCCC1 261878219 WAJPPUOGOYWNQJ-OLZOCXBDSA-N 337.345 4.088 0 50 EIAA O=C(c1cc2ccccc2cc1O)N1CCC(c2nccs2)CC1 373980437 FYFKHJCFUWQAQB-UHFFFAOYSA-N 338.432 4.022 0 50 EIAA CC(C)(C)C[C@@H](NC1CCN(Cc2ccco2)CC1)c1cccnc1 534585419 GQUZRGKGNMDMLV-HXUWFJFHSA-N 341.499 4.406 0 50 EIAA COc1cccc(-c2noc([C@@H]3CC(C)(C)Oc4ccccc43)n2)c1 904602608 PWWKOXLSOIYHHN-MRXNPFEDSA-N 336.391 4.438 0 50 EIAA CSc1cccc(CN(Cc2cnc(SC)nc2)C(C)C)c1 1506401418 JEZXLUXNXMXUSY-UHFFFAOYSA-N 333.526 4.331 0 50 EIAA Cc1cc(Oc2ccncc2)ccc1NC(=O)c1c[nH]c2ncccc12 1875342077 WTRXYOVRECZUTL-UHFFFAOYSA-N 344.374 4.311 0 50 EIAA CC1(O)CC2(CN(C(=O)Nc3ccc(C(C)(C)C)c(Cl)c3)C2)C1 2325799255 BGXIWRFZTYCTJT-UHFFFAOYSA-N 336.863 4.016 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@H](C)C2 89028 ATMZAMBLRZHMQT-JTQLQIEISA-N 347.436 4.203 0 50 EIAA CC(C)Oc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 408125 AYCYEYKFFHUCTI-UHFFFAOYSA-N 329.787 4.256 0 50 EIAA COC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CC[C@@H](C)C2 473832 DUBROZCEPXVLTR-LLVKDONJSA-N 344.436 4.304 0 50 EIAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 2499285 IRSGSBXHXAXJBZ-GFCCVEGCSA-N 343.448 4.397 0 50 EIAA COc1cccc(OCCOCCOc2c(C)ccc(C)c2C)c1 2984093 HNTPLTQPXJJMGO-UHFFFAOYSA-N 330.424 4.095 0 50 EIAA Cc1ccccc1-c1cc(=O)oc(-c2ccc(Br)cc2)n1 4754392 AGNKEBNBIUDIAA-UHFFFAOYSA-N 342.192 4.440 0 50 EIAA CCCOc1cc(C)c(S(=O)(=O)Nc2ccccc2CC)cc1C 4809187 ADXONNPXYKAGKS-UHFFFAOYSA-N 347.480 4.455 0 50 EIAA Cc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 4841584 HNRMKFWAKCVXRX-UHFFFAOYSA-N 334.199 4.242 0 50 EIAA O=C(CSCc1cccc(Br)c1)N1CCCCCC1 4956113 SGVVFIUAQZDNJC-UHFFFAOYSA-N 342.302 4.085 0 50 EIAA Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(=O)N1CCOCC1 5032279 FSFGZONXOLEQHL-UHFFFAOYSA-N 340.206 4.034 0 50 EIAA CCCCNc1nc2c(-c3cccc(C)c3)nnn2c2ccccc12 6738896 HDTXIUZDBVIKDE-UHFFFAOYSA-N 331.423 4.465 0 50 EIAA CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 8463982 IDEMKXUAULKYJV-BGYRXZFFSA-N 335.447 4.385 0 50 EIAA biogenic,in-vitro COc1ccccc1CN1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 12027844 XXSAZYMLNJODET-KRWDZBQOSA-N 343.854 4.444 0 50 EIAA COc1ccccc1/C=C/CN1CCC[C@@H](c2[nH]ncc2C(C)C)C1 20778801 WMZONIUGNCOPHT-AHKGRUIUSA-N 339.483 4.435 0 50 EIAA COc1cc(Oc2cnc3ccccc3n2)ccc1CN1CCCC1 67691277 GXTVEDNHYSUSEO-UHFFFAOYSA-N 335.407 4.027 0 50 EIAA CN(C)[C@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 72144910 CPXTUIGORFCUCV-SFHVURJKSA-N 338.451 4.035 0 50 EIAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Cl)nc1Cl 175747586 IQKSHKWGYXBCBL-YPMHNXCESA-N 335.234 4.407 0 50 EIAA Cc1ccc(Oc2ccc(NCc3cn(C(C)(C)C)nn3)cn2)cc1 191527268 CJLPMRZLJDKSOD-UHFFFAOYSA-N 337.427 4.141 0 50 EIAA CC(C)N(Cc1cnc(C2OCCO2)s1)[C@@H](C)c1ccccc1 292882771 XZZDXUFDCYHYRA-AWEZNQCLSA-N 332.469 4.160 0 50 EIAA CC(C)(C)c1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)no1 377843897 SKYKQHFOKPVHIA-AWEZNQCLSA-N 339.439 4.493 0 50 EIAA Cc1ccc(SC2CCN(C(=O)NCc3ccc(C)o3)CC2)cc1 426378221 QWJNZVLVPKTFAG-UHFFFAOYSA-N 344.480 4.363 0 50 EIAA O=C(CC(F)(F)F)O[C@@H]1CCc2ccc(OC(F)(F)F)cc21 782649059 UEERULPSSZMNDO-SNVBAGLBSA-N 328.208 4.068 0 50 EIAA C[C@@H](Cc1ccccn1)N(C)Cc1cc(CN2CCCCC2)cs1 823648964 CWALIMLAVBHANF-KRWDZBQOSA-N 343.540 4.192 0 50 EIAA C=CC(=O)Nc1c(C)nn(COc2ccccc2-c2ccccc2)c1C 1775997374 GJQATFAXMNGGRE-UHFFFAOYSA-N 347.418 4.328 0 50 EIAA Cc1nc([C@H](C)NCc2ccc(-c3ccco3)cc2F)c(C)n1C 2325809850 SWUWOYQKVPONKM-LBPRGKRZSA-N 327.403 4.287 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 473804 MEHWWDNGHMFNHY-OAQYLSRUSA-N 337.463 4.325 0 50 EIAA COc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1OC 612674 KRCCNFAXBDBJHH-UHFFFAOYSA-N 327.409 4.274 0 50 EIAA O=C(NC1CCCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 2828186 VMWKYYUFVNVRMM-UHFFFAOYSA-N 348.918 4.391 0 50 EIAA O=C(NC1CCCCCC1)C1CCN(Cc2ccccc2Cl)CC1 2828187 YRXOBVZUVKFBOS-UHFFFAOYSA-N 348.918 4.391 0 50 EIAA CC(=O)Nc1c(C)ccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1C 4717210 UBMUQOIKALRVBB-NVXWUHKLSA-N 328.456 4.439 0 50 EIAA CN1C[C@@H](C(=O)c2ccc(F)cc2)[C@H](c2c(F)cccc2Cl)C1 5719748 OAJSJXJVFWZAFZ-ZIAGYGMSSA-N 335.781 4.146 0 50 EIAA CCc1c(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)csc1C 13328813 FLSFJOUAIRXVSJ-NSHDSACASA-N 333.453 4.127 0 50 EIAA COc1cc(Cl)c(/C=C/c2cc(=O)c3ccccc3[nH]2)cc1OC 15016948 ZEZHCKOLEAJJAK-BQYQJAHWSA-N 341.794 4.369 0 50 EIAA COc1ccc(CN(C)C(=O)Nc2ccc(Cl)cc2)cc1OC 18173553 WRVKLSLBBMPTMC-UHFFFAOYSA-N 334.803 4.021 0 50 EIAA Cc1ccc(-c2cnn(-c3ccc(Br)cc3)c2N)cc1 59227577 KKCGTJCVVSDNEG-UHFFFAOYSA-N 328.213 4.192 0 50 EIAA Cc1ccc(N2CCN(C(=O)c3cccc4cc(C)oc34)[C@@H](C)C2)cc1 77339357 HTJAAHQROAEHLT-INIZCTEOSA-N 348.446 4.401 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H]2c2nccs2)c2ccc(F)cc2n1 82115957 HBMLWTCTAWUWQY-INIZCTEOSA-N 341.411 4.116 0 50 EIAA COc1ccccc1CN(CC(C)C)c1nc2c(s1)c(C)nn2C 96163992 GMOCCBKUBVEVAX-UHFFFAOYSA-N 344.484 4.009 0 50 EIAA Cc1nc(C2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)n[nH]1 97425592 DNNFUCXBAAAYLQ-UHFFFAOYSA-N 344.462 4.064 0 50 EIAA O=C(NCc1nc(C2CC2)cs1)N1CC=C(c2cccs2)CC1 157280047 GLGMMRARCYKBGH-UHFFFAOYSA-N 345.493 4.081 0 50 EIAA CN(C)c1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 170637473 LVAAWWYKLOMOOV-SJORKVTESA-N 329.831 4.084 0 50 EIAA CC[C@H](c1ccncc1)N(CC)C(=O)c1occc1Br 177434519 TVKJTMZUOBLMOG-CYBMUJFWSA-N 337.217 4.051 0 50 EIAA FC(F)(F)c1ccccc1[C@H](NCc1cccnc1)C(F)(F)F 183334744 KFSCDWXFLYGVBB-ZDUSSCGKSA-N 334.263 4.494 0 50 EIAA O=C(O)c1ccc(CN2CCC[C@@]3(CCCc4ccccc43)C2)cc1 263574450 NPJZFOIGBBUDFI-QFIPXVFZSA-N 335.447 4.255 0 50 EIAA CN(CC[C@H]1CCCCO1)C(=O)c1ccc(-c2ccsc2)cc1 426470778 DCMPAGIQXVMKDM-GOSISDBHSA-N 329.465 4.446 0 50 EIAA C[C@@H](N)c1ccc(C(=O)N2CCC3(CCc4ccccc4C3)CC2)cc1 653178706 JPONROUCUPXYQK-QGZVFWFLSA-N 348.490 4.118 0 50 EIAA CN1CC[C@@H](n2ccnc2-c2ccc(N(C)c3ccccc3)cc2)C1 1857741335 NWJKIGRQWFWEGK-HXUWFJFHSA-N 332.451 4.195 0 50 EIAA Cc1ccc(CCNC(=O)/C=C/c2ccc(-c3ccccc3F)o2)o1 1875258566 JMHBOVBKWQVFHT-PKNBQFBNSA-N 339.366 4.359 0 50 EIAA COc1ccc(-c2ccc(CN3CCC[C@H](OC)C3)cc2)cc1F 2356152405 HPPGITLHOPKBNS-SFHVURJKSA-N 329.415 4.112 0 50 EIAA COc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1F 64305 VMSBJLFPIBCHFI-UHFFFAOYSA-N 344.367 4.430 0 50 EIAA O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCCCCC1 211642 VWAQUKNOSPOOMQ-UHFFFAOYSA-N 331.437 4.044 0 50 EIAA O=Cc1cc(Cc2ccccc2Cl)cc(Br)c1O 444713 SKWSCRSUOSVEJO-UHFFFAOYSA-N 325.589 4.211 0 50 EIAA Cc1ccc([C@@H](CC(=O)NCc2ccco2)c2ccccc2)c(O)c1 545468 AEULUYBDLMYYJZ-IBGZPJMESA-N 335.403 4.132 0 50 EIAA O=C(OCc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1 1074574 XEFRWTLWWFKGGU-UHFFFAOYSA-N 334.346 4.414 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1 1209791 FWWGNBOGHQEHFA-UHFFFAOYSA-N 340.423 4.060 0 50 EIAA Cc1cc(C)cc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 3000261 VYPITLMWTDYVHF-UHFFFAOYSA-N 331.220 4.378 0 50 EIAA C[C@H]1CN(C(=O)c2ccccc2SCc2ccccc2)C[C@H](C)O1 4834580 ULLHRASTDCNIGW-HOTGVXAUSA-N 341.476 4.228 0 50 EIAA c1ccc(COc2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1 4842636 GLYOWUUVINOYNA-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA CCCc1ccc2oc(C(=O)N3CCC[C@H](COC)C3)c(C)c2c1 12744085 LKAHOJPUCFSDIJ-INIZCTEOSA-N 329.440 4.192 0 50 EIAA c1ccc2c(-c3noc4c3CN([C@H]3CCSC3)CC4)cccc2c1 39430134 FQBDLOSOFXLXBC-HNNXBMFYSA-N 336.460 4.358 0 50 EIAA Cc1ccccc1CSCC(=O)Nc1c(C)cnn1[C@@H](C)C1CC1 55035945 XTGLBPDPFZQIQK-HNNXBMFYSA-N 343.496 4.343 0 50 EIAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 55280999 OTBREXDXJSZZOC-KMYSJOAASA-N 329.488 4.152 0 50 EIAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72430658 ZCUBVQYYOCOVAS-IBGZPJMESA-N 340.467 4.008 0 50 EIAA Cc1c(C[C@H](O)CNC(C)C)nc2ccccc2c1-c1ccccc1 96027642 LKWFDWARCBJHLY-SFHVURJKSA-N 334.463 4.112 0 50 EIAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccccc3O)on2)C1 100928399 AHOKGEPMVCQDBT-RNODOKPDSA-N 340.423 4.088 0 50 EIAA O=C(NCC1(CCO)CCCCC1)c1cc2cc(Cl)ccc2o1 135834738 XKAVUHKXKUGHTR-UHFFFAOYSA-N 335.831 4.149 0 50 EIAA Cc1ccc(NC(=O)Cc2noc(C(C)(C)C3CCCC3)n2)cc1 156046648 GSFPRNRGEILIAP-UHFFFAOYSA-N 327.428 4.027 0 50 EIAA Cn1ccnc1[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 214987382 IWHDWNRHRVHTEF-SFHVURJKSA-N 339.483 4.121 0 50 EIAA CCSCCC(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 252490762 LAKOVHPWGDNPHI-QGZVFWFLSA-N 334.872 4.084 0 50 EIAA Fc1ccc(-c2csc(N3CCC[C@H](N4CCCC4)C3)n2)cc1 301992754 QVZRBOQFJFAUAU-INIZCTEOSA-N 331.460 4.014 0 50 EIAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cc(C)cc(CN)c3)C2)cc1 424428634 UOTACQSPFIFYEU-LPHOPBHVSA-N 337.467 4.172 0 50 EIAA Cc1ccc(-c2ocnc2C(=O)O[C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 1875293362 NIEZWXFHDCQWMZ-YESZJQIVSA-N 341.407 4.012 0 50 EIAA C[C@H]1CCC[C@H](C)N1CCN=c1[nH]c2c(s1)CCc1ccccc1-2 1875338858 NZGCZLQVJJXIRS-GJZGRUSLSA-N 341.524 4.005 0 50 EIAA O=C(CCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 143413 RWHCKMGDHPFAAC-UHFFFAOYSA-N 337.206 4.351 0 50 EIAA Cc1cc(C)cc(OCC(=O)Nc2ccc(Br)c(C)c2)c1 309119 BHXAPWOIXKIRBS-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)(C)C)s1 355197 VCRXZIDXPFASAE-UHFFFAOYSA-N 342.424 4.051 0 50 EIAA CC(C)(C)c1ccc(C(=O)Nc2nccs2)cc1Br 358777 LHQRSEWIOLOBOL-UHFFFAOYSA-N 339.258 4.455 0 50 EIAA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1 451362 ABVVHOSKXQIKJG-BJMVGYQFSA-N 346.224 4.418 0 50 EIAA aggregator COc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 2521085 AVYPMMGMEHOWQB-UHFFFAOYSA-N 334.213 4.143 0 50 EIAA CCOc1cc(C=O)ccc1OCCOc1ccc(Cl)c(C)c1 2866705 OYZPKFJEJLSMHW-UHFFFAOYSA-N 334.799 4.317 0 50 EIAA CC(=O)N1N=C(c2cccs2)O[C@]1(C)C12CC3CC(CC(C3)C1)C2 4722162 LEDZFRIOMUROPE-DKENDCILSA-N 344.480 4.221 0 50 EIAA Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)n1 6054853 VFBBSPKQAVRXRO-UHFFFAOYSA-N 339.222 4.495 0 50 EIAA Cc1c(C)n(CC(C)C)c2ncn3nc(-c4cccs4)nc3c12 6757885 IDNCLWLYTJOGGV-UHFFFAOYSA-N 325.441 4.080 0 50 EIAA CC(=O)Nc1cccc(NC(=S)Nc2ccc(F)c(Cl)c2)c1 13519165 WFVVGAIQERIIRY-UHFFFAOYSA-N 337.807 4.246 0 50 EIAA COC(=O)c1ccc(C)c(NC(=S)Nc2cc(C)cc(C)c2)c1 13793287 XSJKODJWMCMFSB-UHFFFAOYSA-N 328.437 4.207 0 50 EIAA Cc1scc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1C 16603007 WNNWWXJNAQIISL-UHFFFAOYSA-N 342.464 4.243 0 50 EIAA Oc1cc(CC[C@@H]2CCCCN2)cc(-c2ncnc3sccc23)c1 71753774 NLIBVGLXEJIACX-HNNXBMFYSA-N 339.464 4.139 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nn1 72116113 PIZYSZFJSVNEOO-UHFFFAOYSA-N 338.342 4.360 0 50 EIAA Cc1cccc(NC(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)c1 95528519 BRUSDRBJFXVKNK-QGZVFWFLSA-N 338.455 4.013 0 50 EIAA O=C(c1cccc([C@H]2CCCNC2)c1)N1CCC[C@H]1c1ccccc1 97758052 ZRUYRBJAQNAVCP-SFTDATJTSA-N 334.463 4.131 0 50 EIAA CC(C)(C)c1ncc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)s1 135167552 GMRCANRTAWTIOT-CQSZACIVSA-N 346.471 4.285 0 50 EIAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1C 150324827 VZNKPVJIYXDMTG-JYAXBFRTSA-N 347.458 4.486 0 50 EIAA C=Cc1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 170595938 UQPJSJSPDAJHLN-GFCCVEGCSA-N 337.354 4.010 0 50 EIAA O=C(c1cc(C2CC2)no1)N(CC1CCCCC1)c1ccccn1 328598247 AZVPVLAKNBIUFS-UHFFFAOYSA-N 325.412 4.174 0 50 EIAA CN(CC1CCCCC1)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 674010252 LGSDQSALHDSDES-UHFFFAOYSA-N 338.455 4.001 0 50 EIAA Cc1noc(-c2ccnc(N[C@@H](CC(C)(C)C)c3cccnc3)c2)n1 1529190670 LMXVCOWLRMJGSX-INIZCTEOSA-N 337.427 4.424 0 50 EIAA O=C(Nc1cc(-c2ccc(F)cc2)no1)[C@@H]1C[C@H]1c1cccc(F)c1 1775975434 AUAREVAWIFTILQ-JKSUJKDBSA-N 340.329 4.362 0 50 EIAA OCc1c(OCc2ccccc2)cccc1-c1ccc2c[nH]nc2c1 1875340800 RWQKIOSAENMJKB-UHFFFAOYSA-N 330.387 4.301 0 50 EIAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1C 2325878986 DJOHOQLBINGQQA-UHFFFAOYSA-N 333.453 4.236 0 50 EIAA CC[C@H](OC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1 316214 QZWJOUIFGGVWEF-HNNXBMFYSA-N 347.208 4.267 0 50 EIAA CCCc1nc2ccccc2n1C[C@H](O)COc1cccc(Cl)c1 447232 STYWENGLCRSVLY-HNNXBMFYSA-N 344.842 4.082 0 50 EIAA Cc1ccc(C(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 453335 RLWJMMXNMVXKDJ-UHFFFAOYSA-N 348.398 4.160 0 50 EIAA CC(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NNC2=O)cc1 1397707 NORXSDZZFKXNPM-QGZVFWFLSA-N 326.827 4.471 0 50 EIAA CC[C@@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)c1ccccc1 1456544 CVBBTBMWVMHGNS-HXUWFJFHSA-N 336.479 4.146 0 50 EIAA CCOC(=O)c1[nH]c(COC(C)=O)c2c1CCCCCCCCCC2 1617898 QXSITRBXWYTNOD-UHFFFAOYSA-N 349.471 4.474 0 50 EIAA CC(=O)Oc1ccccc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 3903958 CTXMBGWZYBKBIS-ZRDIBKRKSA-N 347.370 4.256 0 50 EIAA CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cc(C)ccc1C 4312353 COCYZZOCLQRWSI-UHFFFAOYSA-N 348.446 4.397 0 50 EIAA C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 6678012 LXUFZDKBJGDCHM-GFCCVEGCSA-N 339.395 4.118 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)C[C@H]2C)cc1 6715615 DBJQRWJKQKBEMW-OAHLLOKOSA-N 343.858 4.391 0 50 EIAA C/C=C(\C)CN1CCC[C@@H]1C(=O)Nc1ccc(-c2cscn2)cc1 11874108 GUBQDVJSYYRPSK-WAQLMLCQSA-N 341.480 4.179 0 50 EIAA Fc1ccc(Oc2ncccc2CNC2CCSCC2)c(F)c1 12307870 WAFSSVQYKKHQDN-UHFFFAOYSA-N 336.407 4.137 0 50 EIAA CC(C)(C1=N[C@@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1 12401159 JTNVCJCSECAMLD-HDICACEKSA-N 334.419 4.353 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccccc2F)cc1 12651473 HSZSKHBEONPPNW-UHFFFAOYSA-N 348.377 4.259 0 50 EIAA COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 14223697 RNNVEVSBEDHIRX-UHFFFAOYSA-N 333.453 4.102 0 50 EIAA c1ccc(Cc2cn[nH]c2[C@@H]2CCCN(Cc3cccs3)C2)cc1 19789113 OTNBTUQDHUKFHS-QGZVFWFLSA-N 337.492 4.442 0 50 EIAA Brc1cccc(CNCCc2c[nH]c3ccccc23)c1 19797604 NJBOOOMGSPXXEY-UHFFFAOYSA-N 329.241 4.263 0 50 EIAA COc1ccc(OCCN2CCC[C@H]2c2cc(C(C)C)on2)cc1 65459490 UUQHSVTYLYJYFM-SFHVURJKSA-N 330.428 4.023 0 50 EIAA CCCc1oncc1C(=O)N1CCC[C@@H](CCc2ccccc2F)C1 71747673 KINFUYBHCARZNI-HNNXBMFYSA-N 344.430 4.251 0 50 EIAA CCn1ccnc1[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 91440214 UCXDBPJPDMIGON-IBGZPJMESA-N 339.483 4.022 0 50 EIAA CCCCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 95512852 ZGBQGVNWABUPRO-HNNXBMFYSA-N 344.434 4.234 0 50 EIAA O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1C(F)(F)F 114996083 VUKBHHMRKUEMSP-INIZCTEOSA-N 335.325 4.348 0 50 EIAA Cc1cccc(N(C)C(=O)c2sc(-c3ccc(F)cc3)nc2C)n1 118623739 OYZSFZQJGBEEAR-UHFFFAOYSA-N 341.411 4.238 0 50 EIAA COc1ccccc1[C@@H](NCc1cnc2ccc(C)cn12)c1ccco1 157678310 RHRDQLALXRTFCF-OAQYLSRUSA-N 347.418 4.124 0 50 EIAA Cc1ncsc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 225475530 XQCPLOOFAIOBNF-MRVPVSSYSA-N 331.224 4.164 0 50 EIAA CSc1ccccc1[C@@H](C)NC(=O)NC[C@H](C)c1c(C)noc1C 225697586 IPTGDQPWUHLVSB-NWDGAFQWSA-N 347.484 4.177 0 50 EIAA C[C@H](Sc1ccc(N)cc1)C(=O)OCc1cccc2cccnc12 253431182 UGXXBTWOKFJSLO-ZDUSSCGKSA-N 338.432 4.041 0 50 EIAA CCc1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 343010012 VAYAXOMWBDYPOI-UHFFFAOYSA-N 331.372 4.060 0 50 EIAA CC(C)N1C[C@H](CN(C)Cc2ccc(Cl)cc2Cl)CCC1=O 1775984164 IHHBFSPHPOQRDD-ZDUSSCGKSA-N 343.298 4.072 0 50 EIAA FC1(c2ccccc2)CN(c2nnc(-c3cccc(Cl)c3)o2)C1 1875332508 VQHZKYVRSIHQBO-UHFFFAOYSA-N 329.762 4.075 0 50 EIAA CC(C)(C(=O)Nc1nc2cc3c(cc2s1)OCO3)C1CCCC1 1875335513 QOGDZNWAIVLQLL-UHFFFAOYSA-N 332.425 4.180 0 50 EIAA Cc1nc2ccc(C(=O)O[C@H]3CCC[C@H]3c3cccnc3)cc2s1 2325743033 WRZZIGOHBQNJHH-RDJZCZTQSA-N 338.432 4.493 0 50 EIAA CSc1cc(-c2cccc([C@H](O)Cn3ccnc3)c2)ccc1F 2325855699 LICHDEXXTQIRDJ-QGZVFWFLSA-N 328.412 4.145 0 50 EIAA CC(C)(C)c1nc(CN2CCCCC2)cc(CN2CCCCC2)c1O 186649 YYNYGLXURQQEQG-UHFFFAOYSA-N 345.531 4.057 0 50 EIAA biogenic CCOC(=O)c1sc2ncnc(Nc3cccc(C)c3)c2c1C 215343 IWWLHVMFJFQEHL-UHFFFAOYSA-N 327.409 4.228 0 50 EIAA COc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 442296 DLDIJYKBVFYIKG-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA O=C(CSc1nccn1Cc1ccccc1)c1ccc(F)cc1 2500956 QZJHOLBRPJECAP-UHFFFAOYSA-N 326.396 4.046 0 50 EIAA C[C@@H]1CCC[C@@H](N2CCN(C(=O)c3cccc4ccccc34)CC2)C1 2760567 NHCIWPSEWAAMFH-IEBWSBKVSA-N 336.479 4.176 0 50 EIAA CCOc1cc2c(cc1OCC)[C@H](c1cccc(C)c1)CC(=O)N2 7342050 WIFXFCPBUNMYBM-HNNXBMFYSA-N 325.408 4.267 0 50 EIAA Cc1ccccc1NC(=O)Nc1nnc(-c2cccc(F)c2)s1 8927419 RVTSDGJDXHRYAF-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA C[C@@H](O)CNCc1cc2ccc(Cl)cc2nc1-c1ccsc1 12242989 YZOUMUNKMFINNK-LLVKDONJSA-N 332.856 4.087 0 50 EIAA C[C@H]1CCCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)C1 12653599 WHXMWXGPFQEMKH-JIMORPAJSA-N 347.462 4.171 0 50 EIAA COCCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1 13810487 FKTJEDXXQLEEDK-VXPUYCOJSA-N 340.448 4.104 0 50 EIAA CCCCC(=O)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O 16488236 SPZJCMGZWWXHGN-UHFFFAOYSA-N 348.446 4.247 0 50 EIAA Cc1nc([C@H](C)N(C)Cc2cccn2-c2nccs2)c(C)s1 65375148 JNHDRFOJITXRQK-NSHDSACASA-N 332.498 4.200 0 50 EIAA O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[C@H]2OCCC[C@@H]2C1 121581813 HHYPIMYFPZHHBA-DNVCBOLYSA-N 344.455 4.041 0 50 EIAA Cc1c(Cl)cccc1NC(=S)NC[C@H](C)N1CCCC[C@H]1C 252457299 WESHCXQQFSZURC-OLZOCXBDSA-N 339.936 4.198 0 50 EIAA Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2c(C)nn(C)c2C)c1 271586107 SEEIOUVZUWZGPN-KRWDZBQOSA-N 326.444 4.023 0 50 EIAA Cc1nc(/C=C/c2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)cs1 299750519 NQOFKSPRSVWDIZ-CRLUXQHQSA-N 339.420 4.250 0 50 EIAA O=C(NCC[C@H]1CCOC1)c1cccc(-c2cncc3ccccc23)c1 299755812 DDSCTCQAEBQXPU-INIZCTEOSA-N 346.430 4.058 0 50 EIAA CCCCOCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299782314 FSXDZGAHHPRUQE-KSZLIROESA-N 341.455 4.079 0 50 EIAA O=C(Nc1ccc(-c2ncco2)cc1)N1CC=C(c2ccc(F)cc2)C1 376281333 LDENYDVRFFJMOA-UHFFFAOYSA-N 349.365 4.412 0 50 EIAA CC(C)c1ccc(-c2ccc(C(=O)N3CC=C[C@@H]3C(C)C)cc2)nn1 534642977 LTVAQTYNHHEMEN-HXUWFJFHSA-N 335.451 4.304 0 50 EIAA CCCc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)o1 1857683548 JARHYWQHQTXTON-FUHWJXTLSA-N 327.472 4.360 0 50 EIAA Nc1snnc1-c1nc(-c2cccc(Cl)c2Cl)cs1 1875341845 KQRCDPNVVYHNAM-UHFFFAOYSA-N 329.237 4.218 0 50 EIAA O=C(NCCCc1ccc(Cl)c(Cl)c1)c1ccc2cncn2c1 2325706451 CNIKSZBFDHWUDL-UHFFFAOYSA-N 348.233 4.004 0 50 EIAA Cc1nn(C2CCC2)cc1NC(=O)c1ccc(-c2ccncc2)s1 2325786571 YKIHOUFYITUAMC-UHFFFAOYSA-N 338.436 4.292 0 50 EIAA C[C@H]1Cc2c(Cl)cccc2[C@H]1NC(=O)c1nnc(C(C)(C)C)s1 2325873681 PRVIWUFFDOKCBV-ZANVPECISA-N 349.887 4.152 0 50 EIAA Cc1nc(CNc2noc(-c3ccc(Cl)cc3)c2C(=O)O)cs1 2356142508 VMIAYWXWGDXXIT-UHFFFAOYSA-N 349.799 4.070 0 50 EIAA CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1 178218 QCOTUFUZJRIASD-UHFFFAOYSA-N 330.723 4.164 0 50 EIAA biogenic O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCCCCC1 423616 SJZVVBFEBWUSBP-UHFFFAOYSA-N 349.228 4.120 0 50 EIAA COc1ccc(CCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 450372 FEBKVBSVIFLINY-ZDUSSCGKSA-N 349.883 4.188 0 50 EIAA COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1Cl 2864406 HGUSAWBJOAZBST-UHFFFAOYSA-N 347.823 4.303 0 50 EIAA COc1cccc(OCCCOc2ccc(Br)cc2)c1 2904381 CKLJTYXBWCSTJR-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA C[C@H](NC(=O)C1CCCCC1)c1nc(-c2ccccc2Cl)no1 4998087 XBYXUBHKYICDDJ-NSHDSACASA-N 333.819 4.148 0 50 EIAA COc1cccc([C@@H](C)NC(=O)c2ccc(Br)s2)c1 12383784 WBHGYFYMLHUJJJ-SECBINFHSA-N 340.242 4.010 0 50 EIAA Cc1ccccc1Cn1nc(C)c(NC(=O)NC2CCCCC2)c1C 13331496 BXAREMXDWGVTKM-UHFFFAOYSA-N 340.471 4.311 0 50 EIAA Fc1ccc(-c2cc(C(F)(F)Cl)n3ncc(Cl)c3n2)cc1 20616543 QCOHPKOVCJYBDR-UHFFFAOYSA-N 332.112 4.477 0 50 EIAA CC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\CCCC(=O)O 34961887 NXFSSCYFERVGJQ-DRLKDTPDSA-N 336.472 4.158 0 50 EIAA in-vitro CCCn1nc(C)c2[nH]c(-c3ccc(OCc4ccccn4)cc3)nc21 39490123 GCRYQDMJUHIDLB-UHFFFAOYSA-N 347.422 4.119 0 50 EIAA O=C(Nc1cccc(Cl)c1)NC1CCN(Cc2cccs2)CC1 57530826 YKDWVXLDJRDJQF-UHFFFAOYSA-N 349.887 4.188 0 50 EIAA COCCC[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(Cl)c1 77301048 FEAUYXMRNBQXJZ-AWEZNQCLSA-N 340.851 4.162 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H]2C(=O)O 100889691 FASFRUJAPNQCNC-OMNBBPDLSA-N 347.842 4.280 0 50 EIAA Cc1ccc([C@@H]2CCCCCN2Cc2nc(-c3ccco3)no2)o1 158655170 RWDZWJSUEQVKGW-AWEZNQCLSA-N 327.384 4.348 0 50 EIAA CCCc1sc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1CC 170636582 AZZJZZHWTDAYGW-XKQJLSEDSA-N 335.513 4.149 0 50 EIAA COc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1C 240163544 JBVBLQNLYNAOND-UNMCSNQZSA-N 342.527 4.233 0 50 EIAA CCN(Cc1noc(C2CC2)n1)Cc1cc(C2CCCCC2)no1 243919606 BPQASQCUZKNXSZ-UHFFFAOYSA-N 330.432 4.005 0 50 EIAA Cc1cc(CNC(=O)c2ccc(CSc3ccccn3)cc2)ccn1 252490657 KYPWEZZFRGBJLQ-UHFFFAOYSA-N 349.459 4.007 0 50 EIAA Cc1cccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)c1C 252509961 YZGVWASJWLYKAV-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA COc1cc2c(c(OC)c1)C(=O)O[C@H](C)CCCC(=O)CCCC=C2 263622305 MYILAUURZUNHGP-CQSZACIVSA-N 346.423 4.186 0 50 EIAA in-vitro CC(C)(C)C(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 378256893 KYJROGULTDVMHH-OAHLLOKOSA-N 347.503 4.335 0 50 EIAA CNC(=O)[C@H]1CCCc2sc(/C=C/c3cccc(Cl)c3)nc21 408516186 WWQLJDFPTUISDJ-XEHSLEBBSA-N 332.856 4.133 0 50 EIAA CCCc1ncc(CN[C@H](C)c2ccc(OCC(F)(F)F)cc2)o1 453365391 GPMZVOYZLYABIU-GFCCVEGCSA-N 342.361 4.419 0 50 EIAA Cc1cc(NC(=O)c2cccc(OC(F)F)c2)n([C@H](C)C2CC2)n1 1529113249 DAXYMVQNKDOAMT-LLVKDONJSA-N 335.354 4.016 0 50 EIAA c1ccc([C@H]2C[C@@H]2c2noc(-c3csc([C@@H]4CCCO4)n3)n2)cc1 1875286108 LYCFYRWDSXGYTL-IPYPFGDCSA-N 339.420 4.316 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 28508 ALLLAZUXWKQINB-UHFFFAOYSA-N 341.386 4.096 0 50 EIAA Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccs2)S3)cc1 304281 RIPMYYYWCRPHGR-ZDUSSCGKSA-N 327.434 4.192 0 50 EIAA O=C(Nc1ccc(Cl)cn1)c1cc(Br)ccc1Cl 444310 QFZQLDOCLYXWHM-UHFFFAOYSA-N 346.011 4.403 0 50 EIAA C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(Br)cc1 470941 XDXOOKATNDGUSI-BXUZGUMPSA-N 342.302 4.236 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc(OC)cc2s1 617992 DUUDRJFXWBHQOK-OAHLLOKOSA-N 342.420 4.101 0 50 EIAA C[C@H](C(=O)NC1CCCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778336 JJCPZNYBOXYIHL-MRVPVSSYSA-N 349.784 4.053 0 50 EIAA Cc1ccc(-c2c(C)nn3c(NCc4ccccn4)cc(C)nc23)cc1 5306664 BLORPCXLWMVVJW-UHFFFAOYSA-N 343.434 4.329 0 50 EIAA C[C@@H](Oc1ccccc1)c1nnc(NC(=O)Nc2ccccc2)s1 8739653 LJPGIBCFTXHGPZ-GFCCVEGCSA-N 340.408 4.322 0 50 EIAA CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 14255815 SWGOBHHTJRRWBH-LLVKDONJSA-N 325.380 4.279 0 50 EIAA Cc1nc(NCC2CC2)sc1-c1ccn(Cc2ccc(F)cc2)n1 15069587 JYNKTVDAUWXZQB-UHFFFAOYSA-N 342.443 4.324 0 50 EIAA CCC1=NO[C@@H](Cn2ccc(-c3cccc(-c4cccc(C)n4)c3)n2)C1 20472564 RRQTUUZZNVYFLY-LJQANCHMSA-N 346.434 4.475 0 50 EIAA Cc1cnccc1Cn1ccc(-c2cccc(-c3nccs3)c2)n1 20999571 ZLAARWRXXIOBTB-UHFFFAOYSA-N 332.432 4.425 0 50 EIAA CCCN(CC1CC1)C(=O)c1cc(-c2cn[nH]c2)nc2c(C)cccc12 23506976 HZBCAYCSGROIET-UHFFFAOYSA-N 348.450 4.196 0 50 EIAA Cc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2ccccc2)cc1 55167669 FFNWBLFSLYLLPF-QFIPXVFZSA-N 344.458 4.271 0 50 EIAA CCCCN(Cc1ccsc1)C(=O)CCc1cn2ccccc2n1 55325463 RBMVEMYBLSHWJJ-UHFFFAOYSA-N 341.480 4.157 0 50 EIAA C1=C[C@H]2C[C@H]1C[C@H]2CN1CCN(Cc2cccc3ccccc23)CC1 100800956 NWDHOEOULGWUOX-VCOUNFBDSA-N 332.491 4.170 0 50 EIAA Cc1ccnc(-c2ccc(NC(=O)N(CC3CCC3)C(C)C)cc2)n1 170617005 MPSNZHMYLUKBAU-UHFFFAOYSA-N 338.455 4.494 0 50 EIAA COCc1ccsc1C(=O)Nc1ccc2sc(C(=O)O)cc2c1 190897905 GAVXYULDENFGMB-UHFFFAOYSA-N 347.417 4.060 0 50 EIAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N(C)C[C@@H]2CCCCO2)c1 220176171 QXZRVHBGPLAVMP-KRWDZBQOSA-N 347.499 4.303 0 50 EIAA O=C(O[C@@H](c1ccncc1)c1ccc(F)cc1)[C@@H]1[C@H]2CCCC[C@H]21 246618785 XMIBVQJCQHXWIX-YDZRNGNQSA-N 325.383 4.290 0 50 EIAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cc2ccccc2[nH]1 253403315 HBUAVCISAIJFAY-SFHVURJKSA-N 329.403 4.457 0 50 EIAA biogenic COc1ccc(OC(C)C)c(NC(=O)c2nc(Cl)sc2C)c1 253433531 YANBRTBEJBKQNU-UHFFFAOYSA-N 340.832 4.153 0 50 EIAA Cc1cc2cc(CN3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)oc2cc1C 263464574 CKIPSYKSFMODJM-QGTPRVQTSA-N 327.424 4.267 0 50 EIAA Cc1ccc([C@H]2Cn3nc(C(=O)Nc4ccccc4C)cc3CO2)cc1 263619239 XPTMUMXXINXWOA-HXUWFJFHSA-N 347.418 4.024 0 50 EIAA CCc1ccsc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273295316 LWMKZGRFQSLXEV-IAGOWNOFSA-N 347.455 4.442 0 50 EIAA C[C@@]1(C(=O)NCc2ccc(-c3ccccc3Cl)o2)CCCCO1 299766458 JDRSRDUVSHTVMF-SFHVURJKSA-N 333.815 4.175 0 50 EIAA Cc1nc2ccccc2n1C1CCN(Cc2ccncc2Cl)CC1 361350133 CGIPYIYUGOVGRT-UHFFFAOYSA-N 340.858 4.230 0 50 EIAA Clc1ccc(-c2ccc(CNCc3cnc4n3CCCC4)o2)cc1 376758840 ROWCTIYKHYSECJ-UHFFFAOYSA-N 341.842 4.423 0 50 EIAA Cc1cccnc1[C@@H]1CCC[C@H](Nc2cccc(C[S@](C)=O)c2)C1 390834474 ZMKSZCBQXQCCAS-VUMVONDWSA-N 342.508 4.407 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3ccc(C)c(Cl)c3)C[C@@H]21 1704303287 GCZBUSSSQWCWAO-QIIPPGSGSA-N 336.863 4.053 0 50 EIAA CN1CCC(COc2cccc(-c3cnc4ccccc4n3)c2)CC1 1775980881 KDNOERGYXPUDKP-UHFFFAOYSA-N 333.435 4.017 0 50 EIAA CC(C)SCc1nnc2sc(CSc3ccccc3)nn12 1857795477 PRCAAWXZTCJCIT-UHFFFAOYSA-N 336.511 4.120 0 50 EIAA CC(C)C[C@H]1CC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 1875356132 GUIDYJZSMZZRNZ-ZBFHGGJFSA-N 331.504 4.460 0 50 EIAA c1cncc(-c2ccc3c(c2)CC[C@H]3NCc2cn3c(n2)CCCC3)c1 2325807188 GWMPIZXIXJHLPF-OAQYLSRUSA-N 344.462 4.059 0 50 EIAA CCn1ncc(Br)c1C(=O)Nc1ccc(C(C)C)cc1 356100 ZSPLQHGNWHQWSY-UHFFFAOYSA-N 336.233 4.041 0 50 EIAA O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccccc1F 452584 KBQACWFWBCOATC-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA Cc1cc(NC(=O)c2ccccc2)ccc1NC(=O)Cc1ccccc1 470858 RFWWSZGFFFJTGB-UHFFFAOYSA-N 344.414 4.429 0 50 EIAA COc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1 616683 DKNBYZMNZIGGNT-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O 1682076 WWXPGBMLOCYWLD-UHFFFAOYSA-N 327.767 4.460 0 50 EIAA in-vitro Cc1ccccc1CSCCNC(=O)COc1ccc(Cl)cc1 2817363 PHKWJEUMCZKSDT-UHFFFAOYSA-N 349.883 4.077 0 50 EIAA C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 2971909 SXEKPDRDRXKZLC-CQSZACIVSA-N 339.435 4.246 0 50 EIAA Cc1ccc(S(=O)(=O)N[C@@H](C)Cc2csc3ccccc23)cc1 4237584 SPEPQRSPYPTJKR-AWEZNQCLSA-N 345.489 4.119 0 50 EIAA CCc1ccc(OCC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 8612410 FRLSKOPSGLCCCV-UHFFFAOYSA-N 336.391 4.230 0 50 EIAA aggregator C[C@H]1C[C@@H](C)CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 11852047 ALSKJBPWZSRVLV-FGTMMUONSA-N 336.479 4.133 0 50 EIAA COCc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)o1 12714163 SSEIGXNOMPDGOK-HNNXBMFYSA-N 345.414 4.050 0 50 EIAA CCCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 16603753 CZGCPVKELKOUEO-UHFFFAOYSA-N 336.479 4.034 0 50 EIAA CCCn1c(=N)n(CCOc2ccccc2Cl)c2ccccc21 19798533 KJLBWWPRTUCABN-UHFFFAOYSA-N 329.831 4.065 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccccc2CN2CCCCCC2)n1 48319809 QODQHOBUIGSRRD-UHFFFAOYSA-N 339.483 4.156 0 50 EIAA O=C(O)c1ccccc1CN1CCC[C@@H](c2ccc(Cl)cc2)C1 67896199 VTUCDJUXVXXOHF-OAHLLOKOSA-N 329.827 4.418 0 50 EIAA CC(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2nccs2)c1 176257030 OMHMHQYHOGLMJU-HNNXBMFYSA-N 329.425 4.105 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C 263617164 MKCMDBUCEHRWRY-GOSISDBHSA-N 347.418 4.331 0 50 EIAA COCc1cnc(NC(=O)N2CC3(CCCCC3)[C@H]2C(C)C)s1 333832261 LNFKBIKIOAPFQX-CQSZACIVSA-N 337.489 4.112 0 50 EIAA CCc1ccc(OC)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1 1192756406 PKRXZOUNTVIATP-UHFFFAOYSA-N 339.844 4.020 0 50 EIAA Cc1cc(N2CCO[C@@H](c3ccc(Cl)s3)C2)nc(C2CCC2)n1 1458209557 ZKRKTKBZZNZHKT-CYBMUJFWSA-N 349.887 4.345 0 50 EIAA CCC[C@H](Nc1ncccc1C(=O)N1CCCC1)c1cccs1 1704280202 UBUFUHVPHWVPLF-HNNXBMFYSA-N 329.469 4.332 0 50 EIAA CC(C)c1nc(-c2nccn2[C@H]2CCN(Cc3ccccc3)C2)co1 1857699742 XFEKVWPQJHBKJI-KRWDZBQOSA-N 336.439 4.109 0 50 EIAA Cc1ccc2c(Cl)c(OC(=O)/C=C/c3cncs3)ccc2n1 2325748888 KHKPBQZABIGWOX-XVNBXDOJSA-N 330.796 4.272 0 50 EIAA CCOC(=O)c1c(N)sc(C)c1-c1ccc(Br)cc1 148058 MFVVINYQHDGNMM-UHFFFAOYSA-N 340.242 4.245 0 50 EIAA COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 209651 GPQXUEZYGMCCPH-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 250160 MDJJZAXKYICMIN-NSHDSACASA-N 331.437 4.118 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(-c2nc3ncccc3o2)cc1 278964 JCDXHSKKDLYIAT-UHFFFAOYSA-N 329.359 4.071 0 50 EIAA COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 289956 PWXVKWQJAHTEJE-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA CCOc1cc(CNc2ccc(Br)cc2)ccc1OC 293077 BANSEBPERXBQJJ-UHFFFAOYSA-N 336.229 4.469 0 50 EIAA Cc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 474926 SGIQHXFQQOOROJ-MDZDMXLPSA-N 340.854 4.010 0 50 EIAA Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)cc2)n1 1059747 VULFUYXUVGQPGD-UHFFFAOYSA-N 341.798 4.270 0 50 EIAA Cc1ccc2[nH]c(C)c(CCNC(=O)c3cccc4nc(C)oc34)c2c1 1421443 YWYJKCNVAYUKMH-UHFFFAOYSA-N 347.418 4.207 0 50 EIAA Cc1cc(NC(=O)c2cccnc2)n(Cc2cccc3ccccc23)n1 1429466 YBEMALJUUCNJDV-UHFFFAOYSA-N 342.402 4.040 0 50 EIAA CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2005329 XPXVTUCLRVROHH-UHFFFAOYSA-N 346.452 4.006 0 50 EIAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccncc1 2058285 PMDAFSWMNJQAIE-UHFFFAOYSA-N 325.195 4.186 0 50 EIAA O=C(CCNc1ccc(F)cc1F)c1ccc(Br)cc1 2519804 ACFLWCSYCWHJJY-UHFFFAOYSA-N 340.167 4.412 0 50 EIAA CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3C)c(=N)oc2c1 4635296 RKAFTOVYNIJLQR-UHFFFAOYSA-N 349.434 4.319 0 50 EIAA CCC(CC)C(=O)N(Cc1cccc(OC[C@H]2CCCO2)c1)C1CC1 11965650 HNJZEOPRUCCJLT-HXUWFJFHSA-N 345.483 4.172 0 50 EIAA c1ccc(-c2ccc(-c3n[nH]cc3CN3CCSCC3)cc2)cc1 20777296 ZSTZCJRXYMBQGO-UHFFFAOYSA-N 335.476 4.293 0 50 EIAA CN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccc(Cl)cc1 65363413 IWACRNPXCSQOOU-UHFFFAOYSA-N 348.815 4.115 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@@H]1CCc2ccccc21 72463609 XSCPCJSUYOOSSQ-LJQANCHMSA-N 332.403 4.030 0 50 EIAA CC(=O)c1csc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c1 154833571 ZYFTYYCZZGITOX-UHFFFAOYSA-N 333.840 4.066 0 50 EIAA CC[C@@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1c(C)noc1C 187293191 HHAROSJLFJKTKE-UKRRQHHQSA-N 348.472 4.054 0 50 EIAA Cc1nc(-c2cccc(C(=O)N3CCCC[C@@H]3c3ccccn3)c2)c[nH]1 299774722 HZJJCZARXGSBJQ-HXUWFJFHSA-N 346.434 4.148 0 50 EIAA O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1ccsc1 359992097 KTNGTUIYCAUYDY-HSZRJFAPSA-N 341.457 4.308 0 50 EIAA CCCN(Cc1ccc(Cl)cc1)c1cc([C@H]2CCOC2)nc(C)n1 426370521 MREZCWRAOSHMSE-INIZCTEOSA-N 345.874 4.359 0 50 EIAA C[C@H](NC(=O)c1ccccc1OC(F)F)c1c(F)cccc1F 496818757 VHEMGBFNRKRYEC-VIFPVBQESA-N 327.277 4.057 0 50 EIAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(F)c1 1875355945 HMJWBPJEZSAPJL-UHFFFAOYSA-N 331.771 4.036 0 50 EIAA COC[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC12CCCC2 1875404361 GJSYXWNJMCCRMD-RCCFBDPRSA-N 335.438 4.174 0 50 EIAA CC1(C)CCC[C@H]([C@@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)C1 2325842398 XBOJNGBRZBFMOE-UGKGYDQZSA-N 343.511 4.263 0 50 EIAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3oc4ccccc4c3C)C1)CC2 2356152886 FYXGSRCUIQKQCP-QFIPXVFZSA-N 347.462 4.320 0 50 EIAA O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)C(F)(F)F)c1 95487 APLKJKJZAMFXNH-UHFFFAOYSA-N 342.704 4.093 0 50 EIAA CCOC(=O)c1c(NC(=O)OC(C)(C)C)sc2c1CCCC2 337983 VQCFOJJKJVUXFH-UHFFFAOYSA-N 325.430 4.151 0 50 EIAA O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1Cl 451022 KDRIJPUTPWIGCQ-UHFFFAOYSA-N 339.247 4.049 0 50 EIAA O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1 1111199 ASGGGFGAIZUNRF-UHFFFAOYSA-N 345.811 4.121 0 50 EIAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccco3)c2c1 6401256 CPZHFLIXOOOYSI-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA C=CN1CC[C@H](C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1=O 6658252 SUVSFHWVUMCRSK-QGZVFWFLSA-N 342.398 4.077 0 50 EIAA O=C(c1cccc2ccccc12)[C@H]1CCCN(C(=O)c2ccco2)C1 11815896 HJWSRLACWQOVLM-INIZCTEOSA-N 333.387 4.168 0 50 EIAA O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccco1 12934908 SRIJDRMKAJOZAJ-UHFFFAOYSA-N 339.738 4.389 0 50 EIAA in-vitro COc1ccc2cc(Cn3cccn3)c(-c3ccccc3OC)nc2c1 19939779 SCOKPAPOXGIEFD-UHFFFAOYSA-N 345.402 4.164 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccccc1 22457665 HXZLNWDXAODGQS-UHFFFAOYSA-N 342.358 4.051 0 50 EIAA O[C@@H](COCc1ccc(Cl)cc1)CSc1nc2ccccc2o1 23114699 USIXDUHOMCFEAM-AWEZNQCLSA-N 349.839 4.151 0 50 EIAA COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 36620641 DVKDINLVDPTAOK-GOSISDBHSA-N 338.407 4.151 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)[C@H](C)c3c(C)n[nH]c3C)c(C)c2c1 91755291 DAJAKYCIPKBQMR-OAHLLOKOSA-N 338.455 4.266 0 50 EIAA CCS[C@H]1CCC[C@@H](NC(=O)NCc2nc3ccccc3s2)C1 175500723 KZEHHHWZGLEMNH-OLZOCXBDSA-N 349.525 4.160 0 50 EIAA O=C(C[C@@H]1CCCOC1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 193679510 JAJHHBWXKPDSJD-UGKGYDQZSA-N 349.474 4.172 0 50 EIAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 222236280 FPFRIIVGTRKFAQ-XYPYXGAPSA-N 348.229 4.251 0 50 EIAA Cc1n[nH]c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 239309772 HVPVPQFZGNASDB-OWVDYMSYSA-N 326.484 4.056 0 50 EIAA Cc1nnc([C@H](C)Sc2nnc(C)n2[C@H]2CCC[C@H](C)C2)s1 241926490 UGOZZNSPLGEZMR-KWBADKCTSA-N 337.518 4.351 0 50 EIAA O=C(Nc1cnc(-c2ccccc2)s1)c1ccncc1C(F)(F)F 253395079 SIQHJGVFCMRVRJ-UHFFFAOYSA-N 349.337 4.476 0 50 EIAA Cc1nc(-c2cccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)c2)sc1C 299802484 WZJBNYRIWPLHRD-HDICACEKSA-N 338.476 4.465 0 50 EIAA Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc2cn(C(C)C)nc2c1 345908079 BGLFCRZGFLRHEN-UHFFFAOYSA-N 339.443 4.129 0 50 EIAA Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2snc(O)c2Cl)o1 407995599 IPDVHTHRHXIMRN-SCZZXKLOSA-N 340.832 4.017 0 50 EIAA COC[C@H]1CCCN(C(=O)c2cccc(-c3ccc(C)cc3F)c2)C1 426387836 KPYQJIYILUHYHD-INIZCTEOSA-N 341.426 4.300 0 50 EIAA CC(C)(O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 832515203 XRYSTKJZCZCRTD-ZDUSSCGKSA-N 347.842 4.223 0 50 EIAA CCn1c(C)cc2cc(NC(=O)CC[C@H]3CCCCN3C)ccc21 952872516 QNULNJDLSOYXOP-GOSISDBHSA-N 327.472 4.173 0 50 EIAA CC(C)(NC(=O)c1cc[nH]c2nccc1-2)c1ccc(C(F)(F)F)cc1 1150972622 GNKXXRXMVFVEAK-UHFFFAOYSA-N 347.340 4.198 0 50 EIAA O=C(NCc1ccc(-c2ccco2)cc1)c1cc2ccccc2nc1O 1875332223 NUYIOVXRFHCPAD-UHFFFAOYSA-N 344.370 4.130 0 50 EIAA O=C(CCc1cncc(F)c1)NCCc1cccc(-c2ccccc2)c1 2325723078 QNICGZUQQKVKPH-UHFFFAOYSA-N 348.421 4.179 0 50 EIAA CCc1ccc(-c2noc(-c3ccc4c(c3)CCC[C@@H]4N)n2)c(F)c1 2325822018 WTNBRCRFDPLNMX-SFHVURJKSA-N 337.398 4.441 0 50 EIAA CC[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)OC)C1 133321 WNLJQJPYRTWHDF-SNVBAGLBSA-N 349.477 4.363 0 50 EIAA Cc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 300008 XRFQKXXHOKBDBB-UHFFFAOYSA-N 327.391 4.381 0 50 EIAA CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C)C 445693 CQSPUATVPPWXAV-UHFFFAOYSA-N 347.436 4.195 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1 571917 OQDQUMWBTLQMAX-UHFFFAOYSA-N 329.446 4.363 0 50 EIAA O=Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc12 2028652 ABTSREUWVIIAKM-UHFFFAOYSA-N 346.791 4.073 0 50 EIAA COc1ccc(C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 4184614 OLVFBRINRKFZKV-UHFFFAOYSA-N 344.461 4.292 0 50 EIAA COc1ccc(-c2noc(Cc3cccc4ccccc34)n2)cc1OC 6729729 DBBZVEYONUTBTF-UHFFFAOYSA-N 346.386 4.498 0 50 EIAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(C)c1 7720170 UOTNMYIMXAWUNH-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA CCCCN(C)Cc1c(C)nc2ccc(Br)cc2c1O 8663487 ZVBYDEONOULDFL-UHFFFAOYSA-N 337.261 4.243 0 50 EIAA Cc1cc(C)nc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)n1 10230891 DEHBDTRDICBAGS-SNVBAGLBSA-N 339.823 4.005 0 50 EIAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)CC(F)(F)F)C2)cc1 12308404 PPWDDPPLBIBBPL-HNNXBMFYSA-N 328.378 4.165 0 50 EIAA CCc1cccc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33089082 ARGSFIQGVZRHMZ-AWEZNQCLSA-N 346.430 4.242 0 50 EIAA Cc1n[nH]c(C)c1CCCn1ccnc1-c1ccc(F)cc1Cl 82097489 DBBAHBVRMYTFRW-UHFFFAOYSA-N 332.810 4.315 0 50 EIAA CC[C@@H](c1nc(C)c(C)s1)n1cc(-c2csc(C(C)=O)c2)nn1 92020997 SKBZAFKNJFMKMY-AWEZNQCLSA-N 346.481 4.282 0 50 EIAA CCN1CCC(CC(=O)N2CCCC[C@H]2c2cccc(F)c2)CC1 95375169 VTCCGJDRFWBMKS-IBGZPJMESA-N 332.463 4.001 0 50 EIAA Cc1cc2cccc(NC(=O)N3CCCC4(CCOCC4)C3)c2o1 95531367 FIARWXUOPFJDEG-UHFFFAOYSA-N 328.412 4.166 0 50 EIAA Cc1ocnc1C(=O)N(Cc1cccnc1)[C@H]1CCCc2ccccc21 97212999 VUTBHXKEEDPEJP-IBGZPJMESA-N 347.418 4.098 0 50 EIAA C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccccc1-c1ncc[nH]1 97532493 XUHKXWHGHDYHCL-CQSZACIVSA-N 344.418 4.391 0 50 EIAA Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(N(C)C)cc1F 122725408 ROOHYJWJDURYMC-UHFFFAOYSA-N 339.370 4.107 0 50 EIAA Fc1ccc(OC2CN(Cc3ccc([C@@H]4CCCCO4)s3)C2)cc1 216422509 CKNPOWBBLIMRIG-SFHVURJKSA-N 347.455 4.392 0 50 EIAA CC(=O)N1CCc2c(NCc3ccc4nc(C)ccc4c3)cccc21 225465733 WCYMZBHNXIJYHR-UHFFFAOYSA-N 331.419 4.064 0 50 EIAA Cc1csc([C@H](NC(=O)Cc2nc(C(C)C)c(C)s2)C2CC2)n1 269623551 IXMGSLUYRFPEGJ-MRXNPFEDSA-N 349.525 4.150 0 50 EIAA CC[C@H](C)n1ncc(NC(=O)N2CC(C)(C)OC(C)(C)C2)c1C1CC1 333378782 XAXGQKWJRXGDRU-ZDUSSCGKSA-N 348.491 4.153 0 50 EIAA O=C1CCCc2occ(C(=O)N3C[C@H](c4ccccc4)C4(CCC4)C3)c21 334013860 XLWGKQCIKKESGP-QGZVFWFLSA-N 349.430 4.209 0 50 EIAA CC(=O)c1cc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c(C)nc1C 362425123 YHDGRSOAGQFLLG-IBGZPJMESA-N 336.435 4.053 0 50 EIAA C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)C1CCC(F)(F)CC1 474066768 QEGWPUGZRIUWAL-CQSZACIVSA-N 333.426 4.391 0 50 EIAA CC(C)C[C@@H]1COC(c2cccc(C3=N[C@H](CC(C)C)CO3)c2)=N1 642814170 HDXFTNWCUVUHOS-QZTJIDSGSA-N 328.456 4.070 0 50 EIAA c1ccc(C2(c3ccccc3)CCCN(CCCn3ccnc3)C2)cc1 1506412432 DIPNSMIIPBZGLV-UHFFFAOYSA-N 345.490 4.355 0 50 EIAA Cc1cc(-c2csc(NC(=O)[C@@H](C)n3cccc3)n2)c(C)s1 1875254513 WKHSIXJOTLALPB-LLVKDONJSA-N 331.466 4.490 0 50 EIAA O=C(Nc1ccc([C@H](F)C(F)(F)F)cn1)c1cccc2c1CCC2 1875342396 PKPCXRCLVGLLNT-HNNXBMFYSA-N 338.304 4.396 0 50 EIAA Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CC[C@]12CCC(C)(C)C2 2325792840 PHYRJNVVRCXPCE-LIRRHRJNSA-N 348.512 4.140 0 50 EIAA C[C@@H]1Cc2cc(CN3CC(C)(C)O[C@@]4(C[C@H]5CC[C@H]4C5)C3)ccc2O1 2325871593 RBJHIPDAACJKCD-VFIVLBOOSA-N 341.495 4.180 0 50 EIAA CCOC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2OC)c1 472213 SLUYKXNOZSHBIL-UHFFFAOYSA-N 349.386 4.277 0 50 EIAA O=C(Nc1ncnc2sc3c(c12)CCC3)c1ccccc1Cl 544838 YUULOPWNWVIIJG-UHFFFAOYSA-N 329.812 4.086 0 50 EIAA NC(=O)c1c(NC(=O)CCC2CCCCC2)sc2c1CCCCC2 2084491 CYQLBPXBPCNUHC-UHFFFAOYSA-N 348.512 4.415 0 50 EIAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@H](O)Cc1ccccc1 5051364 GEUQJHGDWUFPCL-UWJYYQICSA-N 334.463 4.047 0 50 EIAA CC(=O)Nc1cccc(-c2nnc(SCc3ccc(F)cc3)o2)c1 6697235 FRLNGUHQPDGDCL-UHFFFAOYSA-N 343.383 4.126 0 50 EIAA CC[C@H](C)NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 12138423 LGLRAXWJRJOUNY-LBPRGKRZSA-N 330.815 4.121 0 50 EIAA C[C@H](NCc1csc2ccc(Cl)cc12)C(=O)NC1CCCC1 65397682 TUUQCFRCJZZKCN-NSHDSACASA-N 336.888 4.092 0 50 EIAA COCc1nn2c(-c3ccsc3)ccnc2c1-c1ccc(F)cc1 67630335 BPGMJTDNNRFGTK-UHFFFAOYSA-N 339.395 4.410 0 50 EIAA CC(C)c1cc(C2CCN(Cc3ccc(O)c(Cl)c3)CC2)n[nH]1 67712853 RHCYNAHBUZZTSO-UHFFFAOYSA-N 333.863 4.272 0 50 EIAA Fc1ccccc1C1(NCc2ccc(OC[C@H]3CCCO3)cc2)CC1 130549889 NIPWSWNEUVXZSW-GOSISDBHSA-N 341.426 4.162 0 50 EIAA Cc1ccccc1-c1nc(CNc2ccc3c(c2)C(=O)CCC3)no1 134080654 MMJWZVRDWBZQJR-UHFFFAOYSA-N 333.391 4.176 0 50 EIAA c1ccc(COc2ccccc2-c2noc(C[C@H]3CCCO3)n2)cc1 172051797 YDDFDRXFNLPPKQ-MRXNPFEDSA-N 336.391 4.037 0 50 EIAA Cc1ncc(C(=O)N2CCC(c3ccccc3C)CC2)c(C(C)C)n1 172108598 IBRNRZLABOVDQD-UHFFFAOYSA-N 337.467 4.237 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@H](CCCc2ccccc2)[C@H]1C(=O)O 221038807 MCODWISZPDFBOP-IRXDYDNUSA-N 347.455 4.110 0 50 EIAA Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)N1CCCC[C@H]1C 252457298 WESHCXQQFSZURC-CHWSQXEVSA-N 339.936 4.198 0 50 EIAA CCN(C(=O)c1ccc(C(C)(F)F)nc1)[C@H](C)Cc1ccsc1 451071082 KMYQTWDCGYMXDP-GFCCVEGCSA-N 338.423 4.348 0 50 EIAA C[C@@H](c1ccccc1)N(C(=O)c1cc(C2CC2)nn1C)c1ccccn1 906110010 DLGOGCADARGVRR-HNNXBMFYSA-N 346.434 4.101 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N[C@H](c2cccnc2)C(C)C)cc1 1506395882 BSDAJGJCBOXXPW-SFHVURJKSA-N 325.456 4.094 0 50 EIAA Oc1cc(CN[C@H]2c3ccccc3CC2(F)F)cc(C(F)(F)F)c1 1875339260 YTBAHEPPHHWDBB-HNNXBMFYSA-N 343.295 4.433 0 50 EIAA CC(C)Cc1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1 475773 YXYWVBFHMCCSSI-UHFFFAOYSA-N 338.436 4.051 0 50 EIAA C[C@@H]1C[C@@H](C)CN(CCOCCOc2c(Cl)cccc2Cl)C1 2822564 QJSHTIFNZQUCQL-ZIAGYGMSSA-N 346.298 4.367 0 50 EIAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 3147590 ILULSAXPUHYEIO-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA COCCNc1cc(C(C)(C)C)nc2c(-c3ccc(C)cc3)cnn12 5350974 JHADCGAMCMOQGQ-UHFFFAOYSA-N 338.455 4.061 0 50 EIAA CCOC(=O)c1sc(NC(=O)c2csc(C(C)C)c2)nc1C 13745810 ZLOFFKLLQDBXIH-UHFFFAOYSA-N 338.454 4.065 0 50 EIAA O=C(O)[C@]1(Cc2ccccc2)CCCN(c2ccc3ccccc3n2)C1 71765534 DPRQSYSJINPNGY-QFIPXVFZSA-N 346.430 4.149 0 50 EIAA CC(C)c1nc(CN(C)Cc2ccc([C@@H]3CCCCO3)s2)no1 77376622 NQGCYONFXZFLES-AWEZNQCLSA-N 335.473 4.128 0 50 EIAA Cc1scc(C(=O)N[C@@H](c2ccccc2)c2nccs2)c1C 180047605 ORYCTGZKMNKLGY-HNNXBMFYSA-N 328.462 4.341 0 50 EIAA COc1cc(F)ccc1NC1CCC2(CC1)C(=O)Nc1ccccc12 182574024 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EIAA Clc1cccc(NCc2csc(C3CC3)n2)c1N1CCOCC1 134806752 NTMFCNVMGXQQKZ-UHFFFAOYSA-N 349.887 4.123 0 50 EIAA CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@@]3(CC=CCC3)C2)c1C 170626897 UZAXXIHCJCNMLS-IERDGZPVSA-N 342.483 4.228 0 50 EIAA Cc1cccc(NC[C@H]2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)C2)n1 175252673 YZQISDCRRPFKCR-JKSUJKDBSA-N 342.487 4.171 0 50 EIAA Cc1cnc2c(C)cccc2c1N1CC[C@H](OCc2ccncc2)C1 192907855 MYYZFOFDVQTSTH-SFHVURJKSA-N 333.435 4.042 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@]2(CC=CCC2)C1 230214040 SWZSWEKECFPGLF-DBXWQHBBSA-N 348.531 4.360 0 50 EIAA COCc1nc(C(=O)N2CCCc3cc(-c4ccccc4)ccc32)co1 253431025 PZQBUMIAXTVCDF-UHFFFAOYSA-N 348.402 4.081 0 50 EIAA Cn1ncc(NC(=O)Nc2ccc(F)c(F)c2)c1-c1ccccc1 348151726 KQRQHIHXMYPUIS-UHFFFAOYSA-N 328.322 4.009 0 50 EIAA CSCCCN(C)c1nnc(-c2cc(C)oc2C)n1CC(C)C 358966691 AAANLPIUOSIITB-UHFFFAOYSA-N 336.505 4.000 0 50 EIAA O=C(c1ccsc1)N1CCC[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 456565359 CBJPKEGIIBEEMV-BDAKNGLRSA-N 331.281 4.094 0 50 EIAA CCOC(=O)c1nc(-c2ccccc2)oc1CN(C)c1ccccc1 467198378 XMQDSBIICWVDIQ-UHFFFAOYSA-N 336.391 4.155 0 50 EIAA Cc1noc(C)c1C[C@H](C)Nc1cccc(-n2cnc3ccccc32)n1 892614136 FXWWGUWDQYQFCI-ZDUSSCGKSA-N 347.422 4.068 0 50 EIAA CCCN(Cc1cc(=O)n2c(C)csc2n1)c1ccc(Cl)cc1 1459707626 LHGDJYFUKCRPKS-UHFFFAOYSA-N 347.871 4.134 0 50 EIAA CC(C)[C@@]12C[C@@H](NC(=O)N1Cc1cccs1)c1ccccc1O2 1776003608 ALKXEXYUYGURSX-QAPCUYQASA-N 328.437 4.149 0 50 EIAA Cc1cccc([C@@H]2[C@H](C)CN2C(=O)C[C@@H]2CC[C@@H]3COCC[C@@H]3C2)c1 1875405670 LPZWOXNPMFCRJA-NMQFWJSBSA-N 341.495 4.357 0 50 EIAA CCN(CC)CC[C@@H](C)NC(=O)C12CCC(C(F)(F)F)(CC1)CC2 2325736518 MYHRYXOBVJFVEO-ODIFPOPNSA-N 348.453 4.126 0 50 EIAA CC[C@H]1CCc2sc(C(=O)N3CC[C@H](c4ccccn4)C3)cc2C1 2325738154 VDPQDGAVYSTUJH-GJZGRUSLSA-N 340.492 4.288 0 50 EIAA CCc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)cc1 43941 MRTFPVCXLROXAJ-UHFFFAOYSA-N 343.477 4.172 0 50 EIAA CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C 76916 FSQVXRIRNMWFNC-UHFFFAOYSA-N 346.452 4.178 0 50 EIAA 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FJYCQKJSGATFET-INIZCTEOSA-N 340.851 4.323 0 50 EIAA O=C(O)c1cccc(CNC(=O)N(c2ccccc2)c2ccccc2)c1 681571142 PQDYWNMRLMHMIP-UHFFFAOYSA-N 346.386 4.433 0 50 EIAA CC1(C)[C@H](c2ccc(Cl)cc2)CCN1Cc1ccoc1C(=O)O 903631916 QUDWOLYBOLWGQA-HNNXBMFYSA-N 333.815 4.399 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(c1ncnc3sc(C)c(C)c13)C2 1704300748 ZCFPVXZCJKXFIG-RDTXWAMCSA-N 331.485 4.094 0 50 EIAA CC(C)(C)C1CCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2)CC1 2325706484 ZUBGXSFOWHPAKY-UHFFFAOYSA-N 347.409 4.049 0 50 EIAA COc1ccc([C@H]2CCCC[C@H](OC(=O)c3cncs3)C2)cc1 2325745675 YTNZQFCLLIFASA-HOCLYGCPSA-N 331.437 4.425 0 50 EIAA CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 110828 UVRJQTZXCTVUQI-RISCZKNCSA-N 343.398 4.330 0 50 EIAA O=C(O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 168031 FHMDTYSXDYQHMO-BJMVGYQFSA-N 333.181 4.126 0 50 EIAA C[C@H](NC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 239584 BNGOECDWXLLTOM-INIZCTEOSA-N 344.414 4.430 0 50 EIAA C[C@H](C(=O)c1ccccc1)n1cnc2c(Cl)cc(Cl)cc2c1=O 407464 HKVZNCWVISTGDP-SNVBAGLBSA-N 347.201 4.147 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)on1 815020 HCZUGUJIPVYFRQ-UHFFFAOYSA-N 328.755 4.256 0 50 EIAA COc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1 2891306 HHRVZMJTVDKLAT-UHFFFAOYSA-N 341.798 4.095 0 50 EIAA Cc1ccc(NC(=O)c2ccccc2)c(C(=O)CCCCC(=O)O)c1 3107245 IQGHAJXKHNHDOC-UHFFFAOYSA-N 339.391 4.075 0 50 EIAA O=S(=O)(CC=C(Cl)Cl)Nc1ccc(Cl)c(Cl)c1 4402429 NYXMUGIIWFEROG-UHFFFAOYSA-N 335.039 4.054 0 50 EIAA CCCNC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 12405990 RHPKJRAEQPGTMT-UHFFFAOYSA-N 331.803 4.124 0 50 EIAA Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1Cl 13326210 ZMEJIZLRBQAYAA-SNVBAGLBSA-N 325.195 4.103 0 50 EIAA CCOC(=O)c1sc(-c2cccc(Br)c2)nc1C 36532716 FUAHKQKCODAWRN-UHFFFAOYSA-N 326.215 4.058 0 50 EIAA COc1ccc(C2(C(=O)N(C)[C@H](C)c3ccccn3)CCCC2)cc1 67757625 FFWWGLPFQAKBPK-MRXNPFEDSA-N 338.451 4.122 0 50 EIAA Cc1ccc2[nH]cc(CN3CCC[C@H](OCc4cccnc4)C3)c2c1 67872373 GHFOZWRUZCLWFQ-IBGZPJMESA-N 335.451 4.053 0 50 EIAA CN(C)CC[C@H]1CCCCN1Cc1ccc(F)c(C(F)(F)F)c1 72159408 ZRZQHJBXCHSSLF-CQSZACIVSA-N 332.385 4.151 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)CCc3scnc3C)c(C)c2c1 91847775 RRBDVWAFJCBACU-UHFFFAOYSA-N 341.480 4.173 0 50 EIAA CCCCSc1ccccc1N1CCN([C@@H]2CCCC[C@H]2O)CC1 96026568 IRNIUSIEMBTWJH-IEBWSBKVSA-N 348.556 4.004 0 50 EIAA Fc1cccc(-n2cc(CN3CCCC[C@H]3c3ccccn3)cn2)c1 216214014 DXVCBDPUEOZWRP-FQEVSTJZSA-N 336.414 4.134 0 50 EIAA Fc1cccc(C2(CNc3nc4c(F)cccc4o3)CCOCC2)c1 225592741 STSHRMKPRNJRLB-UHFFFAOYSA-N 344.361 4.266 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cccs2)cc1 426396070 YOHZWTHWORLLCB-QGZVFWFLSA-N 329.465 4.446 0 50 EIAA COCC(C)(C)N(C)C(=O)c1ccc(-c2ccc(OC)cc2C)cc1 426563217 ORPOJUCZRLUAJJ-UHFFFAOYSA-N 341.451 4.168 0 50 EIAA CC(C)CNC(=O)c1cccc(NC(=O)c2sccc2Cl)c1 821319174 JIOPDOAYOQIYQZ-UHFFFAOYSA-N 336.844 4.040 0 50 EIAA O=C(CCc1cccc2ccccc12)NCCc1nc2ccccc2[nH]1 1440670869 AGVMJBUMLBSXRS-UHFFFAOYSA-N 343.430 4.008 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c2ccccc12 1464218011 QENWMZFKKUVSJX-UHFFFAOYSA-N 342.402 4.290 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@H](C(C)C)O1 1529161204 BXNXGZWIYOSMOQ-GDBMZVCRSA-N 339.426 4.329 0 50 EIAA C[C@@H](CCc1c[nH]c2ccccc12)N1CCC(c2ccnc(O)c2)CC1 1772808118 ZKLYRKOFGWYHRD-INIZCTEOSA-N 349.478 4.469 0 50 EIAA COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1Cl 318776 GIPYZJLLGGYENI-UHFFFAOYSA-N 347.823 4.303 0 50 EIAA O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)C1CCCCC1 367709 GJWXQJNEIIRATG-UHFFFAOYSA-N 348.402 4.374 0 50 EIAA Cc1cccc(OCCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 455465 ARRMHSVGBXQBJJ-UHFFFAOYSA-N 339.313 4.301 0 50 EIAA Cc1cccc(C)c1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 471111 DJOFAXMRJFHBTH-UHFFFAOYSA-N 347.340 4.311 0 50 EIAA CCOC(=O)N[C@H](c1ccccc1F)[C@H]1CCc2ccccc2C1=O 1394509 DSIBFIVRUVDNPE-SJLPKXTDSA-N 341.382 4.058 0 50 EIAA O[C@@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 1851251 GGUSQTSTQSHJAH-FQEVSTJZSA-N 347.861 4.467 0 50 EIAA investigational CC(=O)Nc1ncc(Cc2cc(Cl)ccc2C(F)(F)F)s1 2877491 GCRBIAUPCGENSP-UHFFFAOYSA-N 334.750 4.365 0 50 EIAA CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cccc(C)n2)cc1 4414098 DLBAELQKXZUKEH-UHFFFAOYSA-N 325.412 4.017 0 50 EIAA COc1cccc(CSc2nnc(-c3ccccc3C)n2C)c1 5859971 HQCWPZRQOFHWDE-UHFFFAOYSA-N 325.437 4.091 0 50 EIAA CC[C@H](Sc1nc2ccncc2[nH]1)C(=O)Nc1cc(C)ccc1C 6752367 NVWRKHHERULGDL-INIZCTEOSA-N 340.452 4.084 0 50 EIAA O[C@H](CNCc1ccc(-c2ccccc2Cl)o1)c1ccccc1 19200327 ZQZCSQMTZGBWFG-GOSISDBHSA-N 327.811 4.423 0 50 EIAA C[C@@H](NCc1ccc(OCc2ccccc2)cc1)[C@@H](O)c1ccccc1 20312630 BYJGOCWNKCACRL-WZONZLPQSA-N 347.458 4.477 0 50 EIAA CCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(C3CC3)nc21 20607749 CCIYVKAJLZCEGI-UHFFFAOYSA-N 343.374 4.150 0 50 EIAA CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1c(C)noc1C 33270545 FLVPXBUIZHNZCJ-OAHLLOKOSA-N 329.400 4.059 0 50 EIAA CCC[C@H](C)c1c(-c2ccccc2)ncn1Cc1nnc2n1CCC2 65409886 ZGHBPTJPJABHPO-HNNXBMFYSA-N 335.455 4.040 0 50 EIAA Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)c1 77517868 QUJRMAMLMXHFIP-KRWDZBQOSA-N 348.446 4.408 0 50 EIAA Cc1cc2cc(C(=O)N[C@H]3CCCc4sc(C)nc43)ccc2o1 92098220 YLBWPBATBWTAAS-AWEZNQCLSA-N 326.421 4.314 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N1CCC2(C=Cc3ccccc32)CC1 92107736 FEJZEFQBHNUTEG-UHFFFAOYSA-N 349.478 4.227 0 50 EIAA Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCCCC[C@H]1c1ccco1 151562930 FFJZKSJDKHHJML-BBRMVZONSA-N 345.443 4.315 0 50 EIAA CC[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1)c1ccncc1 170611089 DIWMRKDGQNEQDU-UONOGXRCSA-N 343.393 4.153 0 50 EIAA CC(C)(C)c1cnc(CCC(=O)Nc2cc(Cl)cc3c2OCC3)o1 193239160 ZIUZQGNHCBGEFC-UHFFFAOYSA-N 348.830 4.132 0 50 EIAA NCc1ccc(OCCCCCCCOc2ccc(CN)cc2)cc1 196150331 SJNQSSVOCWVIOY-UHFFFAOYSA-N 342.483 4.012 0 50 EIAA O=C(CCSCc1ccccc1)NCCc1cc2ccccc2[nH]1 225398978 WQYIAWXBNZDLIY-UHFFFAOYSA-N 338.476 4.150 0 50 EIAA Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12 498050910 MZPLLPUWIXCTEI-UHFFFAOYSA-N 330.371 4.492 0 50 EIAA Cc1cccc(-c2cncc(C(=O)N[C@H](C)c3ncccc3F)c2)c1 684843651 NSMGUQPMLMEVTO-CQSZACIVSA-N 335.382 4.082 0 50 EIAA Cc1cnn(C2CCCC2)c1NC(=O)c1ccc2ncsc2c1 1529190072 DPDGROUYSVWFSQ-UHFFFAOYSA-N 326.425 4.169 0 50 EIAA Cc1[nH]c2ccccc2c1CC(=O)Nc1c(-c2ccccc2)cnn1C 1875251529 RDVPNVXHXVDVQF-UHFFFAOYSA-N 344.418 4.058 0 50 EIAA COc1ccc2c(c1)N(C(=O)c1cc(C(C)C)ccc1O)C[C@H]2C 1875335850 JHBWLNFSUNWCPZ-CYBMUJFWSA-N 325.408 4.288 0 50 EIAA O[C@@H](CNc1cc(C(F)(F)F)nc2ccccc12)Cc1ccccc1 2325719598 COTYJWOMKDBUMD-CQSZACIVSA-N 346.352 4.269 0 50 EIAA Cc1cc(C)c2c(c1)N(C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)CC2 2325829955 WZGPRYQSUUWWSE-MSOLQXFVSA-N 344.499 4.358 0 50 EIAA Brc1ccc(CN2CCc3c([nH]c4ccccc34)C2)o1 207791 TUXSEQDCHXSTLO-UHFFFAOYSA-N 331.213 4.082 0 50 EIAA Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)nc3ccccc23)cc1 308335 ULQFPEMJHTVCCE-OAHLLOKOSA-N 333.387 4.280 0 50 EIAA COc1cc(OC)cc(C(=O)NC(c2ccccc2)c2ccccc2)c1 440668 FOGQPQUPSOUSKC-UHFFFAOYSA-N 347.414 4.223 0 50 EIAA biogenic CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2280582 XGXHTFAZNLUKJS-UHFFFAOYSA-N 334.419 4.440 0 50 EIAA Cc1cccc(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)c1C 2653860 JDJASKCJLZAFEP-UHFFFAOYSA-N 348.446 4.320 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C)c2Cl)cc1 2863229 KGMAUJDJHGRAFC-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA O=C(CSc1ccc(F)cc1)Nc1ccc(OC(F)F)cc1 3362934 WWFDJTXVZXKNJL-UHFFFAOYSA-N 327.327 4.158 0 50 EIAA C[C@H]1C[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)CN1C 4011372 STYAGPHRIVPVTJ-FUHIMQAGSA-N 337.463 4.090 0 50 EIAA CC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 4513070 WNLZNTQZHUREFY-UHFFFAOYSA-N 333.819 4.071 0 50 EIAA Cc1ccccc1C1=N/C(=C\c2cccc(Br)c2)C(=O)O1 4714047 RJOHMKPSAAIJCX-GDNBJRDFSA-N 342.192 4.102 0 50 EIAA CCOc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1F 4866681 ZXGFVZZONZDFHU-UHFFFAOYSA-N 327.277 4.496 0 50 EIAA Cc1ccc2oc(C(=O)N3CCN(c4ccccc4)C[C@H]3C)c(C)c2c1 11667682 BVYACZOWEDCSKK-MRXNPFEDSA-N 348.446 4.401 0 50 EIAA Fc1ccc(Oc2ncccc2CNC2CCSCC2)cc1F 12308994 JXGIQFGRMDUHNN-UHFFFAOYSA-N 336.407 4.137 0 50 EIAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(Cl)cc1 12654052 FVAYBXYOWYWNOP-UHFFFAOYSA-N 342.786 4.054 0 50 EIAA COc1ccc(CN(C)C(=O)Nc2cccc(Cl)c2)cc1OC 18173555 LDAKPMUJDDJXEV-UHFFFAOYSA-N 334.803 4.021 0 50 EIAA COC(=O)c1cc(Cl)c2cc(Cl)cc(Br)c2n1 38537386 HDOJSGQAIMDZMA-UHFFFAOYSA-N 334.984 4.091 0 50 EIAA in-vitro CC(=O)Nc1cccc(-n2ccnc2-c2ccc([C@H](C)N(C)C)cc2)c1 72153093 RVDBQXVVNKSCEN-HNNXBMFYSA-N 348.450 4.120 0 50 EIAA CSc1ncccc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 77472169 YPWLOFALBYGRTJ-MRXNPFEDSA-N 330.428 4.310 0 50 EIAA CN(C)CCO[C@H](c1ccccc1)c1ccccc1Br 96026460 DCMSLAQPTQXLDH-QGZVFWFLSA-N 334.257 4.117 0 50 EIAA C[C@H]1CSc2ccccc2N1C(=O)c1csc([C@H]2CCCO2)n1 122201400 YYSOTDVTGCVJOR-SMDDNHRTSA-N 346.477 4.136 0 50 EIAA CC(C)(C)Oc1ccncc1NC(=O)Cc1ccc(F)cc1Cl 131848161 HWLQREAJFLYPOC-UHFFFAOYSA-N 336.794 4.233 0 50 EIAA C[C@H](C(=O)N(C)Cc1cccc(N(C)C)c1)c1cc2ccccc2o1 156239441 VVUDRKYPGYQFHI-HNNXBMFYSA-N 336.435 4.261 0 50 EIAA CN(C)[C@H](c1nc(-c2ccccc2OCc2ccccc2)no1)C1CC1 170602076 MTXTVURALPQYHL-IBGZPJMESA-N 349.434 4.328 0 50 EIAA Cc1ccc(/C=C/C(=O)Nc2ccnn2Cc2ccsc2)s1 198197292 GSUZUMOZIAUXER-SNAWJCMRSA-N 329.450 4.015 0 50 EIAA c1csc(-c2nc(CN3CCOCc4ccccc43)cs2)c1 252493580 NDGHQTGSFOWSDL-UHFFFAOYSA-N 328.462 4.408 0 50 EIAA Cc1ccc(C)c(-n2ncc(N[C@H](C)c3cc4n(n3)CCC4)c2C)c1 414108006 KXOKKFITBNSWLJ-OAHLLOKOSA-N 335.455 4.113 0 50 EIAA O=C(O)c1ccc(CN2CCCC[C@H]2Cc2ccccc2F)cc1F 659788348 IFSVBXXCMFPNHI-INIZCTEOSA-N 345.389 4.260 0 50 EIAA O=C(NC1CCC(OC(F)F)CC1)c1cc(-c2ccccc2)ccn1 821951861 CXBKYPURKHBHHO-UHFFFAOYSA-N 346.377 4.029 0 50 EIAA O=C(NCc1cccs1)N1CCCC[C@@H]1CCc1cccc(O)c1 828924879 BZJXJIVHKXZFFC-MRXNPFEDSA-N 344.480 4.151 0 50 EIAA CCOC(=O)c1cc(C2CCCCC2)n(-c2ccc3c(c2)CCO3)n1 1875358273 PTABJVYDZMCCBJ-UHFFFAOYSA-N 340.423 4.032 0 50 EIAA CC(F)(F)c1ccnc(Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)n1 1875361884 GRMAQUSUHDSBMA-WFASDCNBSA-N 330.382 4.321 0 50 EIAA CCC[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)c1nccs1 2325854698 QNRWFJXOKAYZOE-HNNXBMFYSA-N 345.399 4.166 0 50 EIAA Clc1ccc(-c2n[nH]c(SCc3coc(Cl)n3)n2)cc1 2325865007 IUDWQFSODXFOTM-UHFFFAOYSA-N 327.196 4.059 0 50 EIAA Cc1cccc(-c2noc(COc3ccc(Br)cc3)n2)c1 204067 SJGRPWQRPQCQND-UHFFFAOYSA-N 345.196 4.387 0 50 EIAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 237467 SBRUMGZRIDBGMG-CQSZACIVSA-N 343.298 4.074 0 50 EIAA CC[C@H]1CCc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)C1 433098 SCOCKGQONUJONV-NSHDSACASA-N 343.452 4.006 0 50 EIAA CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 464977 NCEZRNPRCORQAF-GFCCVEGCSA-N 330.428 4.466 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1 732040 KPBWBMRGHUBZHY-UHFFFAOYSA-N 329.393 4.111 0 50 EIAA O=C(COc1cccc(Cl)c1)Nc1ccccc1C(F)(F)F 2639753 SKPLMODYNGWQGS-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)on1 3908233 POPHPNMSEAJWTM-UHFFFAOYSA-N 330.746 4.064 0 50 EIAA C[C@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)O 5734682 MPPOHAUSNPTFAJ-VIFPVBQESA-N 333.727 4.125 0 50 EIAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)C2=CCCC2)c1C 12050470 AJOQOUPZJUMDIF-SFHVURJKSA-N 335.451 4.093 0 50 EIAA O=c1oc(-c2ccccc2Br)nc2c(Cl)cccc12 16622176 HMEKOSMATPNERW-UHFFFAOYSA-N 336.572 4.271 0 50 EIAA Cc1occc1C(=O)Nc1ccc(C(=O)Nc2cccs2)cc1 20096604 PVEPQZWCGBSETK-UHFFFAOYSA-N 326.377 4.154 0 50 EIAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1c[nH]nc1C1CC1 55309240 QSYHQEIFJWGWKM-FQEVSTJZSA-N 348.450 4.164 0 50 EIAA O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@@H]1c1ccccn1 95525768 LGFLDYVHMRBABM-QGZVFWFLSA-N 339.443 4.152 0 50 EIAA Cc1nn(C)c(C)c1CNc1ccc(-c2cn3cccc(C)c3n2)cc1 120618951 PNARYPWVBZYSTL-UHFFFAOYSA-N 345.450 4.272 0 50 EIAA O=C(CCCc1cccs1)N1CC2(CCOCC2)c2ccccc21 189853414 CSMODBIHQSGCLJ-UHFFFAOYSA-N 341.476 4.166 0 50 EIAA O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(c2ccncc2)CC1 192293081 ORXMYSZTMYSETR-UHFFFAOYSA-N 349.261 4.337 0 50 EIAA CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C)c(C(C)=O)c2)c1 225720091 CFPUIITUKOPJOS-UHFFFAOYSA-N 338.407 4.107 0 50 EIAA CC(=O)Nc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c(Cl)c1 245289973 GKVGNCJNIAXOPV-BTJLNZGRSA-N 349.862 4.483 0 50 EIAA COc1ccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c(C)n1 292853708 VUYQEQBPRNDYJP-GOSISDBHSA-N 337.423 4.158 0 50 EIAA O=C(CSc1ccncc1)N1CCC[C@H]1c1ccc(Cl)cc1 298284849 KEKPSGFGTCTREN-INIZCTEOSA-N 332.856 4.191 0 50 EIAA COc1nc(C)cc(Oc2ccc(Sc3ccncc3)cc2)n1 354515100 XIHAVHPCRGRAHE-UHFFFAOYSA-N 325.393 4.132 0 50 EIAA Cc1ccc(-c2nc(CCNC(=O)c3ccccc3Cl)co2)cc1 377173205 DHYZPRQRPXGBHM-UHFFFAOYSA-N 340.810 4.276 0 50 EIAA Cc1cc(F)cc(C(=O)NCCc2csc(-c3ccccc3)n2)c1 497343857 RWTVOCUXVZLTDT-UHFFFAOYSA-N 340.423 4.230 0 50 EIAA O=C(Nc1cnn(C2CCC2)c1)N1CCC[C@H](c2ccccc2)CC1 934326480 ZVNDQFGQTLFWGE-KRWDZBQOSA-N 338.455 4.410 0 50 EIAA COc1cc(-c2nnc(-c3ocnc3C)o2)ccc1OCCC(C)C 952988858 AAEUEBNGNGSJBI-UHFFFAOYSA-N 343.383 4.134 0 50 EIAA Cc1cc(O)c(Cl)cc1-c1ccc(C(=O)N2CCCCC2)cn1 1772705847 AZDASEKPHGYADM-UHFFFAOYSA-N 330.815 4.042 0 50 EIAA C[C@@H]1Cc2cc(-n3ccnc3-c3c(F)cc(F)cc3F)ccc2O1 1772819324 IYMNAGVZPIRFKA-SNVBAGLBSA-N 330.309 4.280 0 50 EIAA CN1CCC[C@@H]1CCn1ccnc1-c1cccc(CC(F)(F)F)c1 1857707472 UKSMOBCVLLHUGV-MRXNPFEDSA-N 337.389 4.139 0 50 EIAA CC(C)(CN1CCCC1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1 1875359870 RVHNSBVLLKXEFP-UHFFFAOYSA-N 340.442 4.097 0 50 EIAA CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc21 107719 UARXAFLQIIVAOI-UHFFFAOYSA-N 337.375 4.242 0 50 EIAA COC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@@H](C)C2 118427 IOFMMLNMIONNEW-LLVKDONJSA-N 343.448 4.220 0 50 EIAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nnc(C(C)C)s1 148444 XTZMVPYHODHPIW-JTQLQIEISA-N 339.848 4.029 0 50 EIAA OCc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 470333 WGRDRAVROVOOTI-UHFFFAOYSA-N 345.595 4.313 0 50 EIAA COc1ccccc1NC(=O)COc1cccc(Cl)c1Cl 2838819 LHBKHBUBMDLSMG-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA O=C(Nc1nnc(SCc2ccccc2)s1)c1cccs1 2846968 IPGLKRIAANYMAV-UHFFFAOYSA-N 333.463 4.144 0 50 EIAA aggregator CCOc1ccc(-c2nc(-c3ccc(Cl)cc3)cc(=O)o2)cc1 2856360 KSUSVAHXNHLKKH-UHFFFAOYSA-N 327.767 4.421 0 50 EIAA Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)s1 2861720 LSEVKLHSSNTPJX-UHFFFAOYSA-N 347.421 4.031 0 50 EIAA COc1cccc(NC(=O)c2cccnc2Nc2ccc(F)cc2)c1 2866245 PGYIDVJHQWRSPI-UHFFFAOYSA-N 337.354 4.225 0 50 EIAA O=Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2876934 UNMAKUNLPXUYKZ-UHFFFAOYSA-N 347.370 4.309 0 50 EIAA CCCCC/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 4655423 LRPPQRCHCPFBPE-LZXKBWHHSA-N 338.488 4.382 0 50 EIAA endogenous,in-man CCCCOc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3 4910058 CZFLDKOYGCUODB-AWEZNQCLSA-N 339.391 4.068 0 50 EIAA CCOC(=O)C1CCN(CCCOc2ccccc2[C@@H](C)CC)CC1 6702898 WYWWNTUAGXAJBO-KRWDZBQOSA-N 347.499 4.244 0 50 EIAA O=C1CC[C@H](CCNCc2ccccc2)N1Cc1cccc(Cl)c1 11880755 BQSQJIMGEAXCCF-LJQANCHMSA-N 342.870 4.011 0 50 EIAA Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1C 12406153 GNDVBLOWLZUKHG-IBGZPJMESA-N 325.408 4.114 0 50 EIAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1F 13961327 HYBRSHWOXBYFNB-UHFFFAOYSA-N 334.753 4.072 0 50 EIAA Cn1c(S)nnc1-c1ccc(COc2ccc3ccccc3c2)o1 17070898 XYHXWFMHEGOJTG-UHFFFAOYSA-N 337.404 4.096 0 50 EIAA Cc1cc(Br)c(Cl)cc1I 63339599 SEFKIVWHFWHXLG-UHFFFAOYSA-N 331.378 4.016 0 50 EIAA in-vitro FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3ncc[nH]3)C2)c1 71735498 KZNDHRIFEROQJX-OAHLLOKOSA-N 337.389 4.273 0 50 EIAA CN(C(=O)c1cccc(Cn2cccn2)c1)[C@H]1CCCc2ccccc21 77375967 UMEXMSPHCHJCAK-NRFANRHFSA-N 345.446 4.081 0 50 EIAA COc1cc(CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)ccc1OC(F)F 165713489 SWRBZYJWFWQSBW-RBGFHDKUSA-N 337.410 4.211 0 50 EIAA CCOc1cccc([C@@H](C)Nc2cccc(N3CCCNC3=O)c2)c1 170592796 WLDBDZMBENLGMQ-OAHLLOKOSA-N 339.439 4.178 0 50 EIAA CCCc1ccccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 184041908 RFJZJAMYRKYWTO-OAQYLSRUSA-N 336.435 4.302 0 50 EIAA c1cncc(-c2ccc(CN3CC4(COc5ccccc5C4)C3)cc2)c1 2356166957 PXGIDVFJJNGZIC-UHFFFAOYSA-N 342.442 4.186 0 50 EIAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 237463 SBRUMGZRIDBGMG-AWEZNQCLSA-N 343.298 4.074 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccs1 451100 ORLBDKCEDWUBAH-UHFFFAOYSA-N 331.249 4.182 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)cn1)c1cccc2ccccc12 452892 HQGKMOCIFKZQSW-UHFFFAOYSA-N 341.823 4.015 0 50 EIAA O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccccc1 1076561 XRPBOKXSJKTHIF-UHFFFAOYSA-N 340.473 4.219 0 50 EIAA Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1 2986588 NVODQAJLMYVUPL-UHFFFAOYSA-N 349.883 4.077 0 50 EIAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C 2987895 DHYGMIXHSHDLPW-LLVKDONJSA-N 331.934 4.469 0 50 EIAA Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)Cc1ccccc1 4850616 HTCOFBWCALGNNX-UHFFFAOYSA-N 334.375 4.022 0 50 EIAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 13995817 QMROKHJUKSJVLR-UHFFFAOYSA-N 343.814 4.220 0 50 EIAA C[C@@H]1CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C[C@@H](C)O1 16602692 YPNFDDQZGLSLBY-RKDXNWHRSA-N 344.263 4.458 0 50 EIAA Cc1ccc(C(C)C)c(OCc2ccc(-c3nnc(S)n3C)o2)c1 17071715 RLQNYHGBIWRCPV-UHFFFAOYSA-N 343.452 4.375 0 50 EIAA Cc1ccccc1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 20616048 QXDLTSFJZFWEOH-UHFFFAOYSA-N 339.342 4.214 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c(OC)c1 36620875 AKOVWVYQDXHXQO-GOSISDBHSA-N 340.423 4.381 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1OC 36621213 FSYMZYBAELNAKI-INIZCTEOSA-N 344.386 4.212 0 50 EIAA O=c1c2cccc(C(F)(F)F)c2ncn1Cc1ccc(Cl)s1 43125133 VZWOVXXFRSCYBD-UHFFFAOYSA-N 344.745 4.179 0 50 EIAA CC(=O)N[C@H]1C[C@@H](c2cc(C(C)(C)C)[nH]n2)O[C@@H](C2CCCCC2)C1 67758171 HDPNZBMYYAYRQI-NXHRZFHOSA-N 347.503 4.012 0 50 EIAA COCc1nn2c(-c3ccccc3OC)ccnc2c1-c1ccccc1 71376137 GPNDEEAHLRHVGA-UHFFFAOYSA-N 345.402 4.218 0 50 EIAA COc1cccc([C@@H]2CCCCN2C(=O)c2cccnc2SC)c1 77485541 STPQGPSIKGAKON-KRWDZBQOSA-N 342.464 4.180 0 50 EIAA O=C1CSc2ccccc2N1Cc1cc(C2CCCCC2)no1 95362349 XAYXNCVARWMUDT-UHFFFAOYSA-N 328.437 4.361 0 50 EIAA CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnc2c(c1)CCCC2 97474868 KPHXJGQMUFCJAV-UHFFFAOYSA-N 348.368 4.251 0 50 EIAA FC(F)(F)c1cccc(N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 100415794 FIAOAIAXJRLEKI-JYJNAYRXSA-N 336.401 4.040 0 50 EIAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCC2)c1 101838851 FTDFAQZXFNEJEE-FVCZOJIISA-N 333.431 4.095 0 50 EIAA CSc1cc(-c2csc([C@H]3CCCO3)n2)ccc1NC(C)=O 136481841 BCBMFQZESHJTES-CQSZACIVSA-N 334.466 4.342 0 50 EIAA O=C(Nc1ccccc1Cl)N1CC[C@]2(C1)OCc1ccccc12 185928305 KUGQTAFHVAZSDX-GOSISDBHSA-N 328.799 4.003 0 50 EIAA O=C(c1csc(Cl)c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 188271613 AASHOVCILCSJEP-VXGBXAGGSA-N 341.885 4.191 0 50 EIAA Cc1oc(-c2ccco2)nc1CS(=O)(=O)[C@@H](C)c1ccccc1F 195043337 ZQTSQBACEYIDNB-LBPRGKRZSA-N 349.383 4.058 0 50 EIAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)n1 248124199 WGEIDCCMNAODRA-URKNILKWSA-N 325.456 4.044 0 50 EIAA CCNC(=O)Cc1ccc(-c2cccc([C@H](C)N3CCCC3)c2)cc1 534575234 YFJNEOPCEUOZRF-KRWDZBQOSA-N 336.479 4.189 0 50 EIAA Cn1cc2ccc(C(=O)Nc3ccc(-c4cccc(O)c4)cc3)cc2n1 1151518984 NVEDNVHLOCRHQV-UHFFFAOYSA-N 343.386 4.198 0 50 EIAA O=C(c1cccc(-c2cc(F)ccc2O)c1)N1C[C@H]2CCC[C@@H](C2)C1 1565515770 XQHXOBBGONKPOG-GJZGRUSLSA-N 339.410 4.461 0 50 EIAA O=C(O)[C@@H]1CN(Cc2csc(-c3cccs3)n2)C2(CCCC2)C1 2325786876 RDXUIZGHIIVASE-LBPRGKRZSA-N 348.493 4.091 0 50 EIAA Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2)cc1 104515 SBAPSCCEVDITIF-HXUWFJFHSA-N 330.387 4.472 0 50 EIAA Cc1cc(C)n2c(SCc3ccc(Cl)cc3Cl)nnc2n1 114745 JKCOJLVRIKNVLI-UHFFFAOYSA-N 339.251 4.340 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1 2748811 MEJAANYFULFWMK-MRXNPFEDSA-N 338.234 4.467 0 50 EIAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1C(F)(F)F 2902297 AKDMFINXRRSJKQ-ZROIWOOFSA-N 335.256 4.189 0 50 EIAA COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Cl)cc3)cc12 3902769 RAARFAYNKHXDGQ-UHFFFAOYSA-N 344.750 4.400 0 50 EIAA biogenic CC(C)Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)no1 3909127 WZXYHKQWISNNQV-UHFFFAOYSA-N 328.290 4.024 0 50 EIAA Cc1nn(-c2ccc(Br)cc2)c(N)c1-c1ccccc1 4826919 FFZQABVSYMJWCE-UHFFFAOYSA-N 328.213 4.192 0 50 EIAA O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)c(F)cc1Cl 5050175 XGOOJJFWBKZNHK-UHFFFAOYSA-N 325.786 4.317 0 50 EIAA Cc1ccc(OCCOc2ccc(Br)cc2C=O)cc1C 5051006 PPLBNGYCPUUNIU-UHFFFAOYSA-N 349.224 4.336 0 50 EIAA O=C(O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 12731768 RPBVHEVTQXVWDL-KHPPLWFESA-N 330.343 4.383 0 50 EIAA O=C(COc1ccc(F)cc1F)Nc1ccccc1C(F)(F)F 13325835 CELOOGSSCDRKMX-UHFFFAOYSA-N 331.240 4.001 0 50 EIAA COc1cccc([C@H](C)NC(=O)c2c(-c3ccccc3)noc2C)c1 13328725 PLGJJDQVBNZIDT-ZDUSSCGKSA-N 336.391 4.150 0 50 EIAA O=C(NCCc1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 13961292 BWVXCOSPEUYSIG-UHFFFAOYSA-N 332.325 4.159 0 50 EIAA CCCC[C@H](CC)CNC(=O)CCC(=O)NC[C@H](CC)CCCC 16247007 HFROAVSQZYUARR-HDICACEKSA-N 340.552 4.432 0 50 EIAA CCOc1ccccc1N1CCN(Cc2ccc(SC)cc2)CC1 55542976 QQQVRVULOVXCIA-UHFFFAOYSA-N 342.508 4.129 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 95529185 XVNHCZWKLBFSDE-NRFANRHFSA-N 339.483 4.220 0 50 EIAA CCc1nnc(CN(CC)C(=O)Nc2ccc([C@@H](C)CC)cc2)o1 97475443 MXFFBNSCNCJIKD-ZDUSSCGKSA-N 330.432 4.200 0 50 EIAA COC[C@H](C)Nc1ncnc2scc(-c3ccc(C)c(C)c3)c12 170595469 AFCBLEMCJWUWEZ-ZDUSSCGKSA-N 327.453 4.422 0 50 EIAA O=C(C[C@@H]1OCCc2ccsc21)OCCCCOc1ccccc1 170621935 LKBFYPNECRGHLS-KRWDZBQOSA-N 346.448 4.154 0 50 EIAA CC[C@H](c1ccccc1)S(=O)(=O)Cc1nc(-c2ccco2)oc1C 173939486 VNZYWMPJEKDNIH-QGZVFWFLSA-N 345.420 4.309 0 50 EIAA FC(F)(F)[C@H](NCc1ccnc(OCC2CC2)c1)c1ccccc1 225573855 BJIBQJZRQAJCJE-QGZVFWFLSA-N 336.357 4.264 0 50 EIAA Cn1nccc1CCC(=O)Nc1ccc(Cl)cc1-c1ccccc1 242292501 YMTXZZLJPZELRG-UHFFFAOYSA-N 339.826 4.312 0 50 EIAA O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1ccsc1 359992098 KTNGTUIYCAUYDY-QHCPKHFHSA-N 341.457 4.308 0 50 EIAA Fc1cc(CN[C@@H]2CCC23CCOCC3)ccc1Oc1cccnc1 368528798 ULTRTXVWFVUPID-LJQANCHMSA-N 342.414 4.062 0 50 EIAA Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C[C@H](N)c2ccccc2)cc1 448237845 FSJRMKRTMAHZGJ-XJABCFGWSA-N 336.479 4.385 0 50 EIAA Cc1oc2ccc(NC(=O)N3[C@H]4CC[C@H]3c3cncnc3C4)cc2c1C 952994515 WJRAIUKVKTTXLR-KSSFIOAISA-N 348.406 4.133 0 50 EIAA Cc1csc(CN(C)C(=O)c2c(-c3ccccc3)ccnc2C)n1 1505631241 AELUPVBGNKBCRL-UHFFFAOYSA-N 337.448 4.094 0 50 EIAA Cc1cccc(CN(Cc2sc(C)nc2C)C[C@H]2CCCO2)c1 1529100436 SKMGLMOWYKPFNY-GOSISDBHSA-N 330.497 4.250 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 1704339937 QZJRVRFVZSIGIP-IEBWSBKVSA-N 335.875 4.080 0 50 EIAA Cc1ccc([C@H](C)c2noc(-c3cc(-c4cccs4)[nH]n3)n2)o1 1875332005 JNGFNJMPFBVTGG-JTQLQIEISA-N 326.381 4.241 0 50 EIAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3oc4ccccc4c3C)C1)CC2 2356152885 FYXGSRCUIQKQCP-JOCHJYFZSA-N 347.462 4.320 0 50 EIAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCc3ccccc3)c2)n1 29055 HOTRWKGNAZKOQN-UHFFFAOYSA-N 340.810 4.500 0 50 EIAA O=C(Nc1cccc(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1 96561 PTNIUBQFVXNSEV-UHFFFAOYSA-N 346.217 4.491 0 50 EIAA Cc1cc(OCC(=O)N(C)c2ccccc2)cc(C)c1Br 312152 BQWINZYLMFIRBG-UHFFFAOYSA-N 348.240 4.108 0 50 EIAA COc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c(OC)c1 480618 LEEKCYRUTITOHF-KRWDZBQOSA-N 333.387 4.331 0 50 EIAA Clc1ccc(OC2=C(c3ccccc3)N3CCN=C3S2)cc1 2498388 AWWCOTFNGNIGJE-UHFFFAOYSA-N 328.824 4.464 0 50 EIAA CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1 2768652 WHKUIROSKGQCLP-NSHDSACASA-N 333.438 4.102 0 50 EIAA COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2Cl)c1 5610260 SJODBBCBYJAHBZ-UHFFFAOYSA-N 338.190 4.341 0 50 EIAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCCc2ccccc21 10691481 RSGKZGLVLTXSOD-UHFFFAOYSA-N 334.463 4.266 0 50 EIAA CC(=O)Nc1ccc(NC(=O)Nc2ccccc2Br)cc1 13745442 ZVQSCUPKSBXQTD-UHFFFAOYSA-N 348.200 4.052 0 50 EIAA CCCC[C@@H]1CN(Cc2c(C)nn(CC)c2C)Cc2ccccc2O1 14879836 ZBONGPBQLXPHKD-LJQANCHMSA-N 341.499 4.473 0 50 EIAA c1ccc(-c2cnn3cc(CN4CCC[C@@H]4c4ccco4)cnc23)cc1 67820741 UDCMMVGNGXJYJB-LJQANCHMSA-N 344.418 4.326 0 50 EIAA CC(C)c1nc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)no1 71760924 RYUDOIZZIAGQDW-CYBMUJFWSA-N 342.226 4.078 0 50 EIAA Cc1cc2cccc(C(=O)N3CCC[C@H](CN4CCCCC4)C3)c2o1 82097733 CMPCLVJPRJJKBB-QGZVFWFLSA-N 340.467 4.079 0 50 EIAA O=C(c1cccc(Cn2cccn2)c1)N1CCCCC[C@@H]1c1ccco1 82161555 XDGYFPPRFCNXEA-LJQANCHMSA-N 349.434 4.282 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CC(Oc4ccccc4F)C3)oc2c1 91445212 MEZSHDKFKIFNKW-UHFFFAOYSA-N 339.366 4.092 0 50 EIAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 95515405 KAXUDNWEDMVLAY-QGZVFWFLSA-N 343.446 4.151 0 50 EIAA Cc1cccc(NC(=O)c2csc(-c3ccccn3)n2)c1Cl 170646628 LDWPGUQYSOQTCD-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA Cc1nnc(CC(=O)N(Cc2cccc3ccccc23)C2CCCC2)o1 170833531 MSXSENPDJSAAGC-UHFFFAOYSA-N 349.434 4.045 0 50 EIAA CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1 239235337 VUHHPCNWKDEWOX-MAZHCROVSA-N 335.831 4.203 0 50 EIAA CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)[C@H]1C[C@H]1C 239760936 CINXRRCYEJIDJE-SNPRPXQTSA-N 333.428 4.224 0 50 EIAA CCc1ccc([C@@H]2COCCN2C[C@H]2CCC3(CCCCC3)O2)o1 252587367 XSLFRLVTTYVSDH-MSOLQXFVSA-N 333.472 4.097 0 50 EIAA O=C(Nc1cccc(NC2CCC(C(=O)O)CC2)c1)c1cccs1 263491517 RJIOXBMIDUCBDN-UHFFFAOYSA-N 344.436 4.056 0 50 EIAA CCC[C@@H]1C[C@@H](c2nc(Cc3ccc(C)nc3Cl)no2)CCO1 864096525 CSIXONBNDVLUAF-UONOGXRCSA-N 335.835 4.080 0 50 EIAA Cc1nc(C(C)(C)NCc2nc3c(s2)C(C)(C)CC(C)(C)C3)no1 929968011 KJALHEBXFJHYGC-UHFFFAOYSA-N 348.516 4.109 0 50 EIAA Cc1cccc(-n2cc(CN(C)[C@@H](C)c3nc(C)sc3C)cn2)c1 952968159 IPCJHKZMMCIWSJ-AWEZNQCLSA-N 340.496 4.447 0 50 EIAA CC(C)c1cc(CN2CCCC[C@H]2CCc2cccc(O)c2)no1 1506430337 ZNPNWKATERSDFR-SFHVURJKSA-N 328.456 4.491 0 50 EIAA N[C@@H]1CCCC12CCN(C(=O)C1(c3cccs3)CCCCC1)CC2 1875292981 YUUWNAKTIXGXCY-MRXNPFEDSA-N 346.540 4.070 0 50 EIAA CCc1cccc(NC(=O)c2cc3c(nc2Cl)CCSC3)c1 1875370032 YCRRXILKKYZPNR-UHFFFAOYSA-N 332.856 4.339 0 50 EIAA CCCCc1oc2ccccc2c1C(=O)N[C@H]1CCN(CC)[C@@H](C)C1 2325863150 XNRYZSZJRSIHGX-HOTGVXAUSA-N 342.483 4.378 0 50 EIAA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1F 72543 CDYFJALYOVOYAM-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA COc1cc(C(=O)Nc2cccc3ccccc23)cc(OC)c1OC 163013 UPWASYLLUIBHAF-UHFFFAOYSA-N 337.375 4.118 0 50 EIAA Brc1ccc(CN2CCC(Cc3ccccc3)CC2)o1 199562 JWYYFDYULWOZJZ-UHFFFAOYSA-N 334.257 4.497 0 50 EIAA CCc1nc2c(c(C)nn2-c2ccccc2)c2cc(OC)c(OC)cc12 332955 RCANFFFQPPHUIQ-UHFFFAOYSA-N 347.418 4.462 0 50 EIAA COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2ccccc2c1 384616 VBZCKONYGSQXHT-UHFFFAOYSA-N 347.823 4.303 0 50 EIAA CC(C)COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 454004 USTWQZIXLLZCKU-KRWDZBQOSA-N 325.452 4.473 0 50 EIAA O=C(/C=C/c1ccc(Br)cc1)N1CCc2ccccc21 461670 LHTSZRYYKDUARE-JXMROGBWSA-N 328.209 4.052 0 50 EIAA C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 1849528 IMONTRJLAWHYGT-ZCPXKWAGSA-N 340.463 4.063 0 50 EIAA biogenic,investigational CCN(CC)CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 2180634 HYBLLYXPJJJHQA-UHFFFAOYSA-N 332.532 4.353 0 50 EIAA O=C(NC1CCCCC1)C(=O)c1c(-c2ccccc2)cc2ccccn12 2842750 HQSZCJFRYCQMER-UHFFFAOYSA-N 346.430 4.238 0 50 EIAA Cc1ccc(OCCCCN2CCCCC2)c(Br)c1 3001216 KUSKQSLFNPHSJH-UHFFFAOYSA-N 326.278 4.402 0 50 EIAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl 7249364 IBBSOQGEICXJOR-SECBINFHSA-N 348.226 4.172 0 50 EIAA CCc1noc(C)c1C(=O)Nc1ccc(Br)cc1Cl 8993697 ZQJVQHPRZJDWNB-UHFFFAOYSA-N 343.608 4.214 0 50 EIAA Cc1c([C@@H](C)NCc2cccc(F)c2)cnn1-c1cccc(F)c1 12711846 JSJVZNSMWJWAAW-CYBMUJFWSA-N 327.378 4.310 0 50 EIAA O=C(NCCCc1ccccc1)Nc1ccccc1Br 13746045 NHIYMQARJOKQMY-UHFFFAOYSA-N 333.229 4.203 0 50 EIAA CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1F 16625921 GEPOQIKVBAHSMV-UHFFFAOYSA-N 337.416 4.032 0 50 EIAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccccc4Cl)cn1c23 33088854 DUQGKEVOUOVDDW-LLVKDONJSA-N 338.794 4.024 0 50 EIAA Cc1ccc(C)c(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c1 38670791 HMRJZHWADWXIEA-UHFFFAOYSA-N 333.391 4.446 0 50 EIAA COCC[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(O)cc2)c1 63845953 YIDHCDGRAFMTKD-LJQANCHMSA-N 339.435 4.090 0 50 EIAA Cc1noc(C)c1Cn1ccnc1-c1nc(-c2cccs2)oc1C 77407550 OUWDMBKJKCBFBV-UHFFFAOYSA-N 340.408 4.228 0 50 EIAA Cc1csc(CCCn2ccnc2-c2cccc3ncccc23)n1 77536229 NVLUKOCHGOHMPP-UHFFFAOYSA-N 334.448 4.496 0 50 EIAA CO[C@@H](C)C(=O)Nc1cccc(NCc2ccccc2OC(C)C)c1 121650590 GSNZIIYCNDYTQD-HNNXBMFYSA-N 342.439 4.059 0 50 EIAA Cc1cccc(-c2ccccc2C(=O)N2CC(n3nc(C)cc3C)C2)c1 219363222 DJKDSKQMNUNNEA-UHFFFAOYSA-N 345.446 4.172 0 50 EIAA Cc1csc(-c2noc(-c3ccc([C@H]4CCCOC4)cc3)n2)n1 329722818 NLQPROPSQCYAAE-AWEZNQCLSA-N 327.409 4.063 0 50 EIAA C/C=C(\C)C(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 770457899 YXNVEWRMAWWQPG-ZXDCMVLGSA-N 339.222 4.441 0 50 EIAA Cc1cc(CNc2ccc(Oc3cccnn3)cc2)c2c(n1)CCCC2 902622080 XKIPQBXNWWEZEB-UHFFFAOYSA-N 346.434 4.463 0 50 EIAA Cc1sc2ncnc(SCc3ccc4c(c3)OCO4)c2c1C 91561 XBZFCMUPRFPGCB-UHFFFAOYSA-N 330.434 4.329 0 50 EIAA COc1ccc(-n2cnc3cc(NC(=O)c4ccccc4)ccc32)cc1 188677 UPNHPCBHLQEETB-UHFFFAOYSA-N 343.386 4.286 0 50 EIAA OC1(c2ccc(Cl)cc2)CCN(Cc2ccc(F)cc2F)CC1 212798 KHFPNNUUYMJOLM-UHFFFAOYSA-N 337.797 4.102 0 50 EIAA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 279580 CCWMSLYDTLVXJF-UHFFFAOYSA-N 340.442 4.086 0 50 EIAA Cc1cc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c2cc1C 617873 CVVDQLVTGBXMQM-UHFFFAOYSA-N 337.375 4.017 0 50 EIAA COc1ccc(OCCCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 1778337 TZFNHKSAFNXGAM-UHFFFAOYSA-N 349.814 4.155 0 50 EIAA CCCCSc1nc(=O)c2c3c(sc2[nH]1)CO[C@@](C)(CC)C3 2197326 JNZXIWDUMSRPPN-INIZCTEOSA-N 338.498 4.118 0 50 EIAA O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccs1 2862803 PHSOQODCCKWVOY-UHFFFAOYSA-N 340.379 4.392 0 50 EIAA Cc1ccc(Sc2c(C)c3cc4c(cc3[nH]c2=O)OCO4)cc1 3638771 OMDGQMOZSIWGNZ-UHFFFAOYSA-N 325.389 4.025 0 50 EIAA COc1ccc2nc3c(c(NC(=O)c4ccccc4)c2c1)CCCC3 5930551 UBHMVMOPAHFWIL-UHFFFAOYSA-N 332.403 4.375 0 50 EIAA Fc1cccc(-c2cn[nH]c2C2CCN(Cc3ccoc3)CC2)c1 12246057 FKKZFDPCLZRBRA-UHFFFAOYSA-N 325.387 4.188 0 50 EIAA CN(C)CCN(Cc1ccccc1)Cc1cccc(Br)c1 19636590 QZRIMYYSVCYJKC-UHFFFAOYSA-N 347.300 4.013 0 50 EIAA Cc1cc2c(c(C)c1Cl)CN(Cc1ccc3c(c1)OCO3)CO2 19848817 POIZMAOBQIRWST-UHFFFAOYSA-N 331.799 4.038 0 50 EIAA CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 22926596 MQMJHJBSJFAGNI-OAQYLSRUSA-N 348.494 4.049 0 50 EIAA Cc1nc([C@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)cs1 71763835 UEDRYIZLIQJGDI-ZDUSSCGKSA-N 335.436 4.110 0 50 EIAA Cc1ccc(Oc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)nn1 72441563 PERNNORAZPFGQQ-OAHLLOKOSA-N 333.391 4.068 0 50 EIAA CCCc1ccc2oc(C(=O)N(CC)C[C@H]3CCN(C)C3)c(C)c2c1 77321685 ALBLVCSOHQYMGW-KRWDZBQOSA-N 342.483 4.108 0 50 EIAA CC[C@@H](c1ccccn1)N(C)C(=O)c1nc(-c2ccccc2)[nH]c1C 97744973 CFKNUGAQGLCUFL-KRWDZBQOSA-N 334.423 4.003 0 50 EIAA Cc1ccc(C)c(C[S@@](=O)Cc2csc([C@H]3CCCO3)n2)c1 134274270 UJMFSDMSAQSWCD-ZHRRBRCNSA-N 335.494 4.060 0 50 EIAA Cc1cc(Cl)ccc1C(=O)Nc1ccc(CN2CCCC2=O)cc1 153555880 IHNGLYZQDIUKCZ-UHFFFAOYSA-N 342.826 4.023 0 50 EIAA Cc1nc(-c2cccc(NC(=O)N3C[C@H](C)[C@H]3c3ccccc3)c2)no1 158465713 KXJQEQFYCSPFKY-UGSOOPFHSA-N 348.406 4.270 0 50 EIAA Cc1cnc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)s1 188472886 KOFYUCOTWSYQMZ-UHFFFAOYSA-N 326.343 4.141 0 50 EIAA C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](C(F)(F)F)C1 229169024 IPBPUCPVWHBYGT-VHSXEESVSA-N 331.363 4.133 0 50 EIAA c1ccc(CN(Cc2nc(-c3ccco3)no2)C2CCCCC2)nc1 244873023 WISWRDGBFPNVAC-UHFFFAOYSA-N 338.411 4.060 0 50 EIAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1c(Cl)cccc1Cl 244900101 ZWCAHFSPOIAZTM-NSHDSACASA-N 328.239 4.215 0 50 EIAA C[C@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@H]1CCCO1 245327831 RTOVSWPWNYKPES-QFUCXCTJSA-N 331.500 4.061 0 50 EIAA Cc1nc(C2CC2)ccc1C(=O)N(Cc1cccnc1)Cc1ccco1 297369073 CPUHQSUNQCXZLJ-UHFFFAOYSA-N 347.418 4.098 0 50 EIAA Cn1c(CN[C@@H](Cc2ccccn2)c2ccccc2)nc2ccccc21 359154465 OIEAVWQFKYNBIH-FQEVSTJZSA-N 342.446 4.042 0 50 EIAA CCc1noc2ncc(C(=O)N[C@H]3CCCCC34CCCC4)cc12 462412159 ZMYRACOMMPBAEV-INIZCTEOSA-N 327.428 4.018 0 50 EIAA CC[C@H](C)n1ncc(N[C@@H](C)c2cccc(N3CCOCC3)c2)c1C 477930551 WQWHJRZUJPZFAD-HOTGVXAUSA-N 342.487 4.172 0 50 EIAA CCC(C)(C)[C@H](O)c1nc(-c2cccnc2Oc2ccccc2)no1 888095452 HEHIPOWOCVBCAY-OAHLLOKOSA-N 339.395 4.394 0 50 EIAA Cc1cc(N2CCCC[C@H]2c2ncccn2)nc(-c2cccs2)n1 895975769 FCMAEDVPMNFOHK-AWEZNQCLSA-N 337.452 4.035 0 50 EIAA CCC(F)(F)C(C)(C)CNc1ccc(OC)c(N2CCOC2=O)c1 952852324 VTOHWCBUVBLNML-UHFFFAOYSA-N 342.386 4.135 0 50 EIAA CCSCc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 1772491461 ZTWSVCRMTVPDCH-UHFFFAOYSA-N 345.280 4.413 0 50 EIAA Cc1ncc2ccc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cn12 2325706653 SABOVVCYJPBVNP-LLVKDONJSA-N 347.340 4.153 0 50 EIAA COc1ccc(-c2ccccc2CN2CCC[C@H](OC)C2)cc1F 2356169034 JRCZDTFWGJABQD-KRWDZBQOSA-N 329.415 4.112 0 50 EIAA c1ccc(SCc2cccc(CSc3ccccn3)n2)nc1 43147 JSQHOHXFQOEXGY-UHFFFAOYSA-N 325.462 4.456 0 50 EIAA Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(C)c3)C2=O)cc1 121624 DRGHFXCJRKOTLO-UHFFFAOYSA-N 340.810 4.048 0 50 EIAA CCc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 309598 PEJHZLDAIKPBIB-UHFFFAOYSA-N 348.855 4.038 0 50 EIAA COc1cc(Nc2nc(C)c(C(C)=O)s2)c(OC)cc1Cl 440702 MSEZBTDIOXCNHH-UHFFFAOYSA-N 326.805 4.068 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2)CC1 1741530 QMUWHXHOUNVLHQ-UHFFFAOYSA-N 329.831 4.003 0 50 EIAA CCn1cc([C@@H](C)NC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1 2758685 UDHQPPIHSXBJBR-OAHLLOKOSA-N 349.434 4.495 0 50 EIAA CSc1ncc(Cl)c(C(O)(c2ccccc2)c2ccccc2)n1 4529661 IHAPAYWXDBTOMX-UHFFFAOYSA-N 342.851 4.136 0 50 EIAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 4910263 CTDJJVSXAQPXCB-LLVKDONJSA-N 331.799 4.066 0 50 EIAA Cc1ccc(-c2noc(CN(C)C(=O)Nc3cccc(C)c3)n2)cc1 6744988 GGEDPSFGJLQZKP-UHFFFAOYSA-N 336.395 4.017 0 50 EIAA Cc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1Cl 9062791 QRSYPRDGYKFHKM-UHFFFAOYSA-N 342.870 4.499 0 50 EIAA O=C(N[C@@H]1CCCc2ccccc21)c1cc(CCc2ccccc2)no1 14984299 FXQRPTJEEZSOML-HXUWFJFHSA-N 346.430 4.267 0 50 EIAA Cc1cccnc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 16580364 KFBSSSPZCAEWCM-UHFFFAOYSA-N 326.440 4.484 0 50 EIAA CN(C)C(=O)Oc1ccc2c(Cc3ccc(Cl)cc3)noc2c1 20734240 JEKYRSVETBZGSZ-UHFFFAOYSA-N 330.771 4.132 0 50 EIAA Cc1ccc(C2=NNC(=O)[C@@H](Cc3ccc(Cl)cc3)C2)c(C)c1 25758999 YTBBMHZRUAEPGX-HNNXBMFYSA-N 326.827 4.040 0 50 EIAA Oc1c2c(nc3cc(-c4ccc(-c5ccccc5)cc4)nn13)CCC2 100656540 LSSCHDTWFDBUMX-UHFFFAOYSA-N 327.387 4.258 0 50 EIAA Cc1ccc([C@H](C)NC(=O)c2oc3ccccc3c2CN(C)C)cc1 114232380 RTCXANQDRULGAS-HNNXBMFYSA-N 336.435 4.294 0 50 EIAA Cc1nc2ccc(N(C)C(=O)c3cc(O)nc(C(C)C)c3)cc2s1 121611909 UBFBTMNVYWOZSP-UHFFFAOYSA-N 341.436 4.105 0 50 EIAA CC(=O)NC1CCC(Nc2ccc(-c3ncc(C(C)C)o3)cc2)CC1 161181900 IDJBVSZEXCXYPO-UHFFFAOYSA-N 341.455 4.324 0 50 EIAA Cc1nn(C)cc1[C@H](C)NCc1cnc(-c2ccc(Cl)cc2)s1 241231278 KTPIETSVWZMBFI-NSHDSACASA-N 346.887 4.356 0 50 EIAA CCCn1cc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)nn1 902899496 QHARWWMUIGOCTQ-HNNXBMFYSA-N 346.438 4.176 0 50 EIAA CC(C)[C@@H]1CN(C(=O)Nc2ccnn2[C@H]2CC2(F)F)c2ccccc21 1875407855 IZRCBCBPRHUBDZ-ZFWWWQNUSA-N 346.381 4.255 0 50 EIAA CC(C)(C)c1ccc(CN2CCC[C@]23CCCN(C2CC2)C3=O)cc1 2356165895 KATISOGGEBTAFY-JOCHJYFZSA-N 340.511 4.104 0 50 EIAA O=C1C[C@@H](c2ccccc2Br)c2cc3c(cc2N1)CCC3 107509 QTENOYQQWACHHU-AWEZNQCLSA-N 342.236 4.412 0 50 EIAA CCc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 150410 BSMUCHJHFXXPMM-CYBMUJFWSA-N 338.476 4.194 0 50 EIAA Cc1nn(C(=O)COc2ccccc2)c(C)c1Sc1ccccc1 202894 NBPFQEFUKLKHAU-UHFFFAOYSA-N 338.432 4.370 0 50 EIAA Cc1ccc(O)c([C@@H](CC(=O)NCc2ccco2)c2ccccc2)c1 477283 BLGBSCFPHWVUTD-SFHVURJKSA-N 335.403 4.132 0 50 EIAA O=C(Cc1c(F)cccc1Cl)Nc1ccc(Br)cc1 614947 HWTMAJRLALNEMF-UHFFFAOYSA-N 342.595 4.423 0 50 EIAA CC(=O)O[C@H](C)OC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 3872599 ALIVXCSEERJYHU-JSGCOSHPSA-N 330.355 4.049 0 50 EIAA in-man O=C(OCc1ccccc1F)c1cc(-n2cccn2)ccc1Cl 4745339 KAHSECLNRCTYBO-UHFFFAOYSA-N 330.746 4.022 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 7185155 PBFAMLXPCHCDBO-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA Nc1nnc(SCc2csc(-c3ccc(Cl)cc3)n2)s1 7535937 DFHFKSGJBINQFK-UHFFFAOYSA-N 340.886 4.190 0 50 EIAA Cc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)s1 12712330 VJCRZIHTZXJEHK-LJQANCHMSA-N 333.472 4.013 0 50 EIAA O=c1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)[nH]1 13114153 QAKYDAURAWNPNG-UHFFFAOYSA-N 328.824 4.383 0 50 EIAA aggregator O=C(Nc1ccc(Br)cn1)c1cc(Cl)cc(Cl)c1 16603190 RJQCRSKXIYKQFV-UHFFFAOYSA-N 346.011 4.403 0 50 EIAA COc1cc(CNCc2ccccc2C(F)(F)F)cc(OC)c1 55429545 XJTPRWCKMVHFDH-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA O=C(Nc1ccc(Cl)cc1)NC1CCN(Cc2cccs2)CC1 57530820 YFQRNPHSSMVAKZ-UHFFFAOYSA-N 349.887 4.188 0 50 EIAA Cc1ccccc1-c1ncc(CNCc2snnc2C(C)C)s1 65499247 NINDFZCAOIMMHL-UHFFFAOYSA-N 344.509 4.383 0 50 EIAA CCOc1cc(C)c(CN2CCCC[C@@H]2CC(=O)O)cc1C(C)C 97660448 ZUFZQIHPMPGWJC-QGZVFWFLSA-N 333.472 4.346 0 50 EIAA CCOc1ccc(Cl)cc1-c1ccc(C(=O)N2CCCCC2)cn1 97675402 JUSTWFLHAGBNSO-UHFFFAOYSA-N 344.842 4.427 0 50 EIAA Cc1ccc2ncccc2c1CN1CCCC[C@@H]1CCn1ccnc1C 97822925 FZIHAERSFBXDIM-LJQANCHMSA-N 348.494 4.493 0 50 EIAA CC(C)(C)c1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1 121311168 TXWTVZGMSZDQCB-UHFFFAOYSA-N 338.436 4.150 0 50 EIAA CC(C)c1csc([C@@H]2CCCN(C(=O)Nc3ccncc3F)C2)n1 184183772 QXWLJCYDUOZDQO-GFCCVEGCSA-N 348.447 4.212 0 50 EIAA c1ccc([C@H](NCc2cnc(-c3ccco3)s2)[C@@H]2CCCO2)cc1 193068533 DIKRGGLHOCNTEH-WMZOPIPTSA-N 340.448 4.413 0 50 EIAA O=C(N[C@H]1CCOc2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 222011227 VZOZVEYJRVNGHT-NGWYPBGASA-N 345.870 4.204 0 50 EIAA CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 222204563 HDQJQWKFHNGHRA-WBAXXEDZSA-N 348.487 4.125 0 50 EIAA Cc1n[nH]c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]1C2 239309777 HVPVPQFZGNASDB-WSYNCDOCSA-N 326.484 4.056 0 50 EIAA FC(F)c1cnc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 450382589 WOQRGEYCOQTDIX-CYBMUJFWSA-N 349.772 4.285 0 50 EIAA C[C@@H](c1ccc(-c2cc(C(F)(F)F)ccn2)cc1)N1CCOCC1 534655020 UKELZJQIOIAYOA-ZDUSSCGKSA-N 336.357 4.161 0 50 EIAA CCN(Cc1noc(C2CCC2)n1)C(=O)NCC1(CC(C)C)CCC1 534667758 PLUQRNMIFLRAMH-UHFFFAOYSA-N 348.491 4.085 0 50 EIAA O=C(COc1ccc2c(c1)CCC2)N(C1CC1)[C@H]1CCc2ccccc21 917404784 ZBXBWOWLZFWEGZ-QFIPXVFZSA-N 347.458 4.233 0 50 EIAA CCOc1ccc(O[C@H](C)C(=O)Nc2ccc3scnc3c2)cc1 952965691 SUXDKDZWJOGGRM-GFCCVEGCSA-N 342.420 4.101 0 50 EIAA O=C(c1ccc(-c2ccc(CCO)cc2)cc1)N1C[C@H]2CCC[C@@H](C2)C1 1565513649 NADDUNQKVKUGKK-OALUTQOASA-N 349.474 4.151 0 50 EIAA C[C@@H]1CN(C(=O)Nc2cncc3ccccc23)Cc2ccccc2O1 1875346974 GDUZGWMNCDBRFJ-CQSZACIVSA-N 333.391 4.050 0 50 EIAA O=C(NCc1ccccc1-c1cccnc1)N1CCc2ccccc21 2325823001 AWKQGWDPIMTREB-UHFFFAOYSA-N 329.403 4.021 0 50 EIAA CCOC(=O)c1cnc2ccc(C)cc2c1NCCc1ccccc1 141440 LXTOEWMLFJEUPA-UHFFFAOYSA-N 334.419 4.375 0 50 EIAA O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 304802 FGQGLNSXKGFPEV-UHFFFAOYSA-N 339.416 4.066 0 50 EIAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C(C)=O)cc1 359063 ZGGURFOFDBUFAE-CQSZACIVSA-N 325.408 4.420 0 50 EIAA COc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 2452081 YCUKSKYSHUWPIQ-UHFFFAOYSA-N 341.798 4.095 0 50 EIAA Fc1cccc([C@H]2C=C(C34CC5CC(CC(C5)C3)C4)NC(=S)N2)c1 4670993 YTKAXGVWCAXASR-ANCGMVAHSA-N 342.483 4.445 0 50 EIAA COc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc1 14955883 MKVMXKRCNXAQIR-KRWDZBQOSA-N 343.854 4.444 0 50 EIAA Cc1cc(=O)[nH]c2c(C)cc(-c3cc(C)c4[nH]c(=O)cc(C)c4c3)cc12 16998564 NTFLANORAKEBLK-UHFFFAOYSA-N 344.414 4.270 0 50 EIAA C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)[C@@H](O)CC 43762240 LECQFYAXBMWBMJ-MHGREVIQSA-N 334.500 4.450 0 50 EIAA FC(F)Oc1ccc(-c2nc3c(cnn3Cc3cccs3)[nH]2)cc1 48194423 CHGNHXSFGYYGKJ-UHFFFAOYSA-N 346.362 4.138 0 50 EIAA CCCCN(Cc1ccco1)Cc1sc(N(C)C)nc1Cl 55385689 SRABNGWOMFTENY-UHFFFAOYSA-N 327.881 4.258 0 50 EIAA Cc1cc(F)ccc1C(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 55568911 AOMMIMVIDQUDTE-INIZCTEOSA-N 333.428 4.017 0 50 EIAA Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)cn1 65395067 GPEAAOZIQVWJIH-UHFFFAOYSA-N 342.402 4.069 0 50 EIAA Fc1ccccc1Oc1ncccc1CNc1ccc(Cl)nn1 67946635 HGEODKXWIJAGTA-UHFFFAOYSA-N 330.750 4.069 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)N[C@@H](c3ncccc3C)C3CC3)c2c1 77471190 OVGIZJVAANEXON-OAQYLSRUSA-N 345.446 4.436 0 50 EIAA CSC[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(C)cc23)C1 97602596 CURKEVJNMWONQH-HNNXBMFYSA-N 328.481 4.067 0 50 EIAA Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C 101332375 YTGFGVVSDIXAGW-INIZCTEOSA-N 342.826 4.009 0 50 EIAA CN(C)c1ccc(Cl)cc1NC(=O)Cc1cn(C)c2ccccc12 109342233 ZONPEJFRTKACAJ-UHFFFAOYSA-N 341.842 4.079 0 50 EIAA CC[C@H](C(=O)Nc1ccncc1F)c1cccc(C(F)(F)F)c1 156470743 PACAYJOAAJPABF-LBPRGKRZSA-N 326.293 4.372 0 50 EIAA CCCc1nc(-c2noc([C@H]3C[C@@H]3c3ccc(F)cc3F)n2)co1 289161684 PMWLRNRHLWDXRK-NEPJUHHUSA-N 331.322 4.226 0 50 EIAA c1ncn(C2CCCCC2)c1CN(CC1CCC1)C[C@@H]1CCCO1 299763511 WNJSMCCZEQJHHO-FQEVSTJZSA-N 331.504 4.169 0 50 EIAA COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(-n2cccc2)c1 303196937 NKCYUCBODWDOCE-HXUWFJFHSA-N 346.430 4.463 0 50 EIAA CN(Cc1ccncc1Cl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 348807718 JYPCLZQOMKZVJK-AEFFLSMTSA-N 334.822 4.226 0 50 EIAA CCc1ccnc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1 362276649 HXQQSQQTUDLTFG-QGZVFWFLSA-N 335.407 4.153 0 50 EIAA CC(C)(C)OC(=O)Nc1nccc(Cl)c1C(=O)OC(C)(C)C 675050347 BLICVSDMLFGCKN-UHFFFAOYSA-N 328.796 4.037 0 50 EIAA COc1cccc(Oc2ccc(NC(=O)c3cccn3C3CC3)cn2)c1 824787732 IBRDRJCTEPTGON-UHFFFAOYSA-N 349.390 4.271 0 50 EIAA CC(C)CN(Cc1ccsc1)C(=O)c1cc(-c2ccsc2)[nH]n1 952971842 QWNQPUWVYJRWBD-UHFFFAOYSA-N 345.493 4.498 0 50 EIAA CC(C)Oc1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1 952981739 KAVFNCHNHNVDEP-UHFFFAOYSA-N 338.451 4.322 0 50 EIAA O=C(N[C@H](Cc1ccncc1)CC1CCCC1)[C@@H]1CC12CCCC2 1875261812 HLKBCGZWRXKTBW-OALUTQOASA-N 326.484 4.270 0 50 EIAA Nc1ccc(Cl)cc1-n1nc(-c2ccccc2)c2ccccc2c1=O 207336 OFZMUXSOQPSQLI-UHFFFAOYSA-N 347.805 4.288 0 50 EIAA Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 311821 ZSXVENGJKRGISS-UHFFFAOYSA-N 338.388 4.100 0 50 EIAA Cc1ccc(S[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)cc1 374293 UUJKEVCKEDMKFY-JTQLQIEISA-N 341.691 4.055 0 50 EIAA COc1ccc(C(=O)[C@H](CN(O)C(C)(C)C)c2ccccc2)cc1 405000 DEQYDDCZONKOHI-GOSISDBHSA-N 327.424 4.151 0 50 EIAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 614935 RZFNMTZSOHEUPB-UHFFFAOYSA-N 328.387 4.453 0 50 EIAA Cc1ccccc1-c1cc(N)n(-c2ccc(Br)cc2)n1 2532577 YTZAGMJLKLFKDU-UHFFFAOYSA-N 328.213 4.192 0 50 EIAA CCOc1cc(C(=O)Nc2cccc(F)c2)ccc1OC(F)F 2796785 CKYXIXWZVSUMIC-UHFFFAOYSA-N 325.286 4.078 0 50 EIAA COc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1Cl 4542059 UUJCMVVYVUASKY-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccc(C(=O)N(C)CCOC23CC4CC(CC(C4)C2)C3)cc1 4698557 KCYAJLBSRCMWIG-UHFFFAOYSA-N 327.468 4.052 0 50 EIAA CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2 6562951 RATOWXDDJZAXFA-UHFFFAOYSA-N 334.485 4.038 0 50 EIAA CCCSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 6728589 RSWISLNWKRCVEX-UHFFFAOYSA-N 329.421 4.212 0 50 EIAA Clc1ccc(/C=C/c2nn3c(-c4ccccn4)nnc3s2)cc1 9476706 FYNBZMMNECICBR-RMKNXTFCSA-N 339.811 4.072 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(OC[C@@H]2CCCO2)c1 10469413 VKNSUUCABXMJTB-SFHVURJKSA-N 345.826 4.079 0 50 EIAA COc1ccccc1Cn1ccc(-c2cccc(-c3nccn3C)c2)n1 19799608 NGHNNTMNYCHBRW-UHFFFAOYSA-N 344.418 4.008 0 50 EIAA CCc1cc(C(F)(F)F)c2c(C)nn(-c3ccc(C(=O)O)cc3)c2n1 20615510 SMJKLOWVGBPTGX-UHFFFAOYSA-N 349.312 4.008 0 50 EIAA COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1ccc(C)cc1 35476501 IFXNLFBKUIPHHU-HNNXBMFYSA-N 344.436 4.212 0 50 EIAA CN(Cc1ccccn1)C(=O)C[C@@H](c1ccccc1)c1ccc(F)cc1 55414531 NNNXLOWFRPGTRP-NRFANRHFSA-N 348.421 4.401 0 50 EIAA CN(C)N1C(=O)[C@@](Cc2ccccc2)(c2ccccc2)c2ccccc21 71767250 LFPJWYDSJGOBGY-QHCPKHFHSA-N 342.442 4.039 0 50 EIAA CCSc1ccc(NC(=O)N(C)[C@H](COC)c2ccccn2)cc1 96141892 ACTRGEKQJQXWIO-QGZVFWFLSA-N 345.468 4.045 0 50 EIAA Cc1ccc(C)c(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)c1 113779077 IDFCANBCZJPLRK-UHFFFAOYSA-N 341.361 4.234 0 50 EIAA O=C(Nc1ccc2ccccc2c1)c1ccncc1Br 121774068 QSHPTTBJSVGJAX-UHFFFAOYSA-N 327.181 4.250 0 50 EIAA CSc1cc(-c2csc([C@@H]3CCCO3)n2)ccc1NC(C)=O 136481802 BCBMFQZESHJTES-AWEZNQCLSA-N 334.466 4.342 0 50 EIAA Cc1cncc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1 186672414 XKJHDMMHTFWGEQ-HNNXBMFYSA-N 335.451 4.252 0 50 EIAA Cc1cc(C(F)(F)F)ccc1CNc1cccc2c1OCC[C@H]2O 191083893 SUNTUFLOAMEUGM-MRXNPFEDSA-N 337.341 4.442 0 50 EIAA Cc1noc(C)c1[C@@H](C)CC(=O)N(CC(F)F)c1ccc(F)cc1 193858792 HXUYZXOURHQQHS-JTQLQIEISA-N 340.345 4.222 0 50 EIAA CSc1ncc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cn1 223507535 NLLUSDMOCBSCMJ-MRXNPFEDSA-N 345.443 4.095 0 50 EIAA COc1ccc(C(=O)C[C@@H](C)C(=O)O[C@H](C)c2cccc(F)c2)cc1 225618911 LFFTVEHCTPKEOU-ZIAGYGMSSA-N 344.382 4.348 0 50 EIAA Cc1cc(C)c2c(N)c(-c3nc(-c4ccsc4)no3)sc2n1 240900745 ITOCGPSUNRHGGV-UHFFFAOYSA-N 328.422 4.274 0 50 EIAA CN(Cc1cnc2ccccc2c1)Cc1nnc(-c2cccc(F)c2)o1 244646886 GQVDUNARXDFELQ-UHFFFAOYSA-N 348.381 4.056 0 50 EIAA CN(C)C(=O)c1ccc(CN2CCCCC[C@H]2c2cccc(F)c2)o1 252485269 GPWTTWFKKIDXRM-SFHVURJKSA-N 344.430 4.238 0 50 EIAA c1cc(NCc2cnc3ccccc3c2)cc(OC[C@H]2CCCO2)c1 265210070 RFPZTYHZPYNTJY-HXUWFJFHSA-N 334.419 4.405 0 50 EIAA C[C@@]1(F)CCCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1 455427510 FLLIXKLUAVRCHI-GOSISDBHSA-N 329.375 4.230 0 50 EIAA O=C(c1ccc(Cl)c(NCc2cscn2)c1)N1CCCCC1 902199806 XXURZESLZGIXTI-UHFFFAOYSA-N 335.860 4.035 0 50 EIAA C[C@H](NCc1ccc2c[nH]nc2c1)c1cc(Cl)cc2c1OCC2 922986740 KSPDCPSQGHKPNW-NSHDSACASA-N 327.815 4.002 0 50 EIAA CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(F)cc3ccoc23)no1 933707202 QDECYRRKQJYSFV-AWEZNQCLSA-N 343.358 4.056 0 50 EIAA Clc1cnccc1-c1noc([C@@H]2CCCN2Cc2ccccc2)n1 1857531000 QXBWLXYJFNLHOT-INIZCTEOSA-N 340.814 4.122 0 50 EIAA CCSC1CCC(C(=O)Nc2nc3ccc(C)nc3s2)CC1 2325823894 HTCKNVLAAMLVQB-UHFFFAOYSA-N 335.498 4.250 0 50 EIAA Cc1nnc(-c2cccc(Nc3cccc(-n4cccn4)c3)c2)s1 2356162995 ORNNUTLMBVJWDY-UHFFFAOYSA-N 333.420 4.443 0 50 EIAA COc1ccc(OC)c(CNc2ccc(Br)c(C)c2)c1 263386 GISXKAVWXKMUIT-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA COc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C 619273 KIEFLEGSCKVMIT-UHFFFAOYSA-N 339.844 4.075 0 50 EIAA O=C(O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 1004286 PPBAFFAAGXPVNW-UHFFFAOYSA-N 328.165 4.363 0 50 EIAA CC[C@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 1055761 BLCIJPHBWYCRCZ-IBGZPJMESA-N 336.435 4.055 0 50 EIAA O=C(NC[C@@H]1CCCN(CCCC2CCCC2)C1)c1ccc(F)cc1 12453823 AYJQCQCOPGDUCF-SFHVURJKSA-N 346.490 4.238 0 50 EIAA CCCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cs1 13331993 SBBBRJJWTUZFAR-UHFFFAOYSA-N 342.508 4.280 0 50 EIAA Cc1ccc(NC(=O)Cc2noc(-c3ccccc3C)n2)cc1Cl 16577174 CLQFRHPKYPSOGO-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA COc1ccccc1-c1ccc(C(=O)Nc2cnc3n2CCCC3)cc1 67973729 JACKELHSIVYTFB-UHFFFAOYSA-N 347.418 4.147 0 50 EIAA Cc1nc(CN2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cs1 72146867 RROFHRXDVGMTGJ-LJQANCHMSA-N 329.513 4.240 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@@H]3c3cc(C)on3)c2c1 77355435 IDDQCBJOHORKLY-LJQANCHMSA-N 349.434 4.434 0 50 EIAA CC[C@H](NC(=O)N[C@@H]1CCCc2sccc21)c1c(C)noc1C 130547474 GVBCDQXCOQOVTI-UONOGXRCSA-N 333.457 4.181 0 50 EIAA CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@H]1[C@@H]2C 136538456 KPUIORAMYKZOGW-IMAGNOHSSA-N 329.440 4.489 0 50 EIAA CC(=O)c1csc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 170591026 PZMSVOVZFUAPCJ-UHFFFAOYSA-N 335.335 4.017 0 50 EIAA Cc1nc(C)c([C@@H](C)N(C)C(=O)CCc2ccc3[nH]ccc3c2)s1 180506295 SKNMLOCTSFHSHM-CYBMUJFWSA-N 341.480 4.393 0 50 EIAA C[C@@H](CN(C)C(=O)N[C@H](C)c1ccccc1Cl)c1nccs1 182050529 AQFBCMJBUZGSKI-NWDGAFQWSA-N 337.876 4.303 0 50 EIAA O=C(NCCCCC(F)(F)F)N1CCCSc2ccccc21 225502170 XUBINXMMGPOXFV-UHFFFAOYSA-N 332.391 4.431 0 50 EIAA Cc1cc(CO)oc1C(=O)N1CCC[C@@H]1c1cccc2ccccc12 283109302 SHGIEENFRSASBD-LJQANCHMSA-N 335.403 4.211 0 50 EIAA Cc1cc([C@@H](C)NC(=O)NC2CCC3(CC2)CC3(F)F)ccc1F 660817220 ZINJDVXNKKCLCB-RFSCMCKOSA-N 340.389 4.462 0 50 EIAA O=C(OCc1cccc(Cl)c1)N1CCCO[C@@H](c2ccccc2)C1 1463046501 FXZWSXCFSGAIIP-GOSISDBHSA-N 345.826 4.440 0 50 EIAA O=C(OCc1cccc(Cl)c1)N1CCCO[C@H](c2ccccc2)C1 1463046507 FXZWSXCFSGAIIP-SFHVURJKSA-N 345.826 4.440 0 50 EIAA CCn1cc(-c2nc(Cc3ccccc3)nn2CC(C)(C)C)c(C)n1 1875349150 OFXRZVDUTLKWNK-UHFFFAOYSA-N 337.471 4.107 0 50 EIAA O=C(Oc1ccc(C(=O)c2cccnc2)cc1)OC1CCCCC1 2325782600 MGJGIPBXQFHAGX-UHFFFAOYSA-N 325.364 4.161 0 50 EIAA O=C(CCOCc1ccccc1)N1CCC(c2cccs2)CC1 2325790065 KHLWPAZCIIZXTB-UHFFFAOYSA-N 329.465 4.061 0 50 EIAA C[C@H]1CCCN(Cc2ccc(NCc3ccnc4[nH]ccc34)cc2)C1 2325861080 FCTIJXMHTQAIKR-INIZCTEOSA-N 334.467 4.407 0 50 EIAA O=C(NCC[C@H]1CCOc2ccccc21)NCc1ccccc1Cl 2325879984 OTVLFSYJAPDQEU-AWEZNQCLSA-N 344.842 4.096 0 50 EIAA Cc1cccc(C)c1NC(=O)CSc1ccc(C(F)(F)F)cn1 51967 DVISDEGRCQMRSM-UHFFFAOYSA-N 340.370 4.448 0 50 EIAA CCOC(=O)c1cnc2ccccc2c1Nc1cc(C)ccc1OC 90639 PVYRDLHEGSWFLA-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA COC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 139492 PIPBTZSRGDJLSK-SECBINFHSA-N 342.178 4.121 0 50 EIAA Cc1ccccc1OCc1nc(-c2ccc(Br)cc2)no1 203233 RBXXHEIRLAIGDW-UHFFFAOYSA-N 345.196 4.387 0 50 EIAA CCC(=O)N[C@@H](c1ccccc1)c1c(OC(C)=O)ccc2ccccc12 245312 CCQFETNHHYUGSA-QFIPXVFZSA-N 347.414 4.381 0 50 EIAA O=C1CCC(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 312825 HARQLJUDOAAGGP-UHFFFAOYSA-N 336.174 4.439 0 50 EIAA COc1cc2c(cc1NC(=O)c1cc(Cl)ccc1OC)CCCC2 318701 XZLPLLUNAFXMIQ-UHFFFAOYSA-N 345.826 4.488 0 50 EIAA COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2ccccc2c1 384615 GVVFHXLUHMYHGM-UHFFFAOYSA-N 347.823 4.303 0 50 EIAA CCOc1c(Cl)cc(C(=O)NCCc2ccccc2)cc1Cl 465426 UTJJIYDECQGODG-UHFFFAOYSA-N 338.234 4.365 0 50 EIAA c1ccc(-c2nnc3sc(CN4CCc5ccccc54)cn23)cc1 1061334 CZEOVHGKEIYKCI-UHFFFAOYSA-N 332.432 4.021 0 50 EIAA CCCCOc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1C 2092372 VIELZMRGCLYTSA-UHFFFAOYSA-N 346.423 4.084 0 50 EIAA biogenic COc1ccc(C(=O)CCNc2ccc(F)c(Cl)c2)cc1OC 2544962 IVIHVSFMSLUDAS-UHFFFAOYSA-N 337.778 4.181 0 50 EIAA O=C(NCCCCCCO)OCC1c2ccccc2-c2ccccc21 2565312 VGXOJZUTHIGHPT-UHFFFAOYSA-N 339.435 4.078 0 50 EIAA in-vitro Cc1ccc(SCc2ccc(C(=O)Nc3cc(C)on3)o2)cc1 4858095 AZUQQSMZJLIBHS-UHFFFAOYSA-N 328.393 4.429 0 50 EIAA O=C(/C=C\c1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 12731773 CYILRZXUUOPOFG-JYRVWZFOSA-N 332.359 4.184 0 50 EIAA CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccccc1 13328836 MPYNPWZKCAUTSH-YOEHRIQHSA-N 327.424 4.075 0 50 EIAA C[C@@H](Cc1cccnc1)n1ccnc1-c1cnc(-c2cccs2)nc1 71775490 FGKJAJPYZXPMHY-AWEZNQCLSA-N 347.447 4.267 0 50 EIAA Cc1nc(CN(C)C(=O)[C@@H](C)Oc2ccc3ccccc3c2)cs1 91575400 XGSMNAWXAQYYTR-CYBMUJFWSA-N 340.448 4.031 0 50 EIAA CCCCn1ccnc1C1CCN(Cc2csc(C(C)=O)c2)CC1 91986268 MVYFZZBIGVAKOP-UHFFFAOYSA-N 345.512 4.327 0 50 EIAA Fc1ccc(C2=C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 100635292 JNTLISWBQULGGX-INIZCTEOSA-N 326.762 4.127 0 50 EIAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 189647239 WLXYWCXKZFCQPY-DOMZBBRYSA-N 330.457 4.285 0 50 EIAA O=C1CCCc2cc(NCc3cnc(-c4ccco4)s3)ccc2N1 193165793 RHBFAMGBHDRCSO-UHFFFAOYSA-N 339.420 4.290 0 50 EIAA Cc1nc2ccccn2c1CN(C)Cc1ccc([C@@H]2CCCO2)s1 216438782 RYAJCHRXTKIVCV-KRWDZBQOSA-N 341.480 4.188 0 50 EIAA O=C(CCSCc1ccc(F)cc1)N1CCC[C@@H]1c1ccccn1 220023277 FCCSYQMUPDXMQZ-GOSISDBHSA-N 344.455 4.208 0 50 EIAA CCC[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3cccnc3)sc2C1 252517892 UJUNZKSXDGBDCI-SNPRPXQTSA-N 341.480 4.185 0 50 EIAA COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 252679715 QFAWQQNGFBZYOO-UFYCRDLUSA-N 336.435 4.098 0 50 EIAA Cc1cc(-c2nc(-c3ccccc3NC(=O)C3CC3)no2)c(C)s1 253418926 FQJYYQNNMWUHME-UHFFFAOYSA-N 339.420 4.430 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(F)c2)n1 257365266 XRKSPDTYAZJJOC-ULQDDVLXSA-N 344.455 4.448 0 50 EIAA CCCc1nc(-c2noc(C[C@H](C)c3ccccc3OC)n2)co1 289179972 QZCRKDWVDDBFBU-LBPRGKRZSA-N 327.384 4.032 0 50 EIAA O=C(c1ccc2c(c1)N=C(O)C2)N1CCC[C@H]1/C=C/c1cccs1 328587926 KCEYETHBRHSHPF-KIUWMYQTSA-N 338.432 4.210 0 50 EIAA CCc1cnc(C)nc1-c1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 426518316 LLGGWHPVLFVGDT-CQSZACIVSA-N 349.434 4.441 0 50 EIAA CCc1nc(C)c([C@@H](C)N(C)Cc2c(Cl)ncn2CC)s1 952964403 QWGKSNWBEDGULQ-LLVKDONJSA-N 326.897 4.077 0 50 EIAA CC(C)c1ccc(CCCC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1 1704299195 OGYBJNUHBUTHHL-IFMALSPDSA-N 343.511 4.286 0 50 EIAA Cn1cc(-c2cc(OC(F)(F)F)ccc2O)c(-c2ccccc2)n1 1772814501 CMPFPXZJEAOZLG-UHFFFAOYSA-N 334.297 4.358 0 50 EIAA CC[C@H](NC[C@@H](CO)Cc1ccccc1C)[C@H](C)Cc1ccccc1 2325841091 CJGKONLEQPNIAO-NWSQWKLXSA-N 339.523 4.393 0 50 EIAA C[C@@H](NC(=O)c1ccc(F)c2ccsc12)c1cnc2n1CCCC2 2325869089 YFFFNAXHFWQMRY-LLVKDONJSA-N 343.427 4.064 0 50 EIAA O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccccc1 129470 SFZTYHPRVJAONL-UHFFFAOYSA-N 348.880 4.358 0 50 EIAA COc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 130386 LYKXAIYDHCIMAI-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 457466 PCKIUACATQEYOI-UHFFFAOYSA-N 348.855 4.174 0 50 EIAA Cc1cc2c3c(c1)[C@]1(Nc4ccccc4CO1)C(=O)N3C(C)(C)C[C@@H]2C 1063584 PIACQVUHEZGCDQ-RCDICMHDSA-N 348.446 4.423 0 50 EIAA Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl 1425196 QGJSQMXCGJOCHY-UHFFFAOYSA-N 337.876 4.211 0 50 EIAA COc1cc(O)c(C(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1 2522117 PGXOCIWGAVVTSK-UHFFFAOYSA-N 341.190 4.142 0 50 EIAA CC(C)c1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)n[nH]1 12306619 OTHKIYSDVBLHIH-HNNXBMFYSA-N 345.874 4.281 0 50 EIAA Cc1c(Cl)cccc1-n1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21 12372491 DBHGZRACVDZLOZ-UHFFFAOYSA-N 341.720 4.003 0 50 EIAA CC(C)(C)OC(=O)n1ccc2cc(I)ccc21 16124911 RMYVMKHVFXTKPF-UHFFFAOYSA-N 343.164 4.029 0 50 EIAA O=c1c2ccccc2nc2sc(-c3ccc4ccccc4c3)nn12 17067475 ZSJHWGGNYHWRQE-UHFFFAOYSA-N 329.384 4.124 0 50 EIAA FC(F)(F)c1ccccc1[C@H](c1ccccc1)N1CCCNCC1 22106223 BVUVQBAYRZKXCJ-SFHVURJKSA-N 334.385 4.090 0 50 EIAA in-vitro O=C(c1cccc(-n2cccn2)c1)N1CCCCC[C@@H]1c1ccco1 82121230 MMERAQYGYAKLCG-GOSISDBHSA-N 335.407 4.223 0 50 EIAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100974684 OYCALXJOVMZJNH-ZJUUUORDSA-N 330.598 4.016 0 50 EIAA C[C@H](Nc1ccccc1OCC(F)F)c1ccc(-n2cncn2)cc1 182491757 DKZGEANDKVACDJ-ZDUSSCGKSA-N 344.365 4.084 0 50 EIAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)c1cccc(O)c1 194955680 RGKVBYGSOFLQSW-WDEREUQCSA-N 341.377 4.180 0 50 EIAA CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@H]1C)[C@H]3[C@H]2C 239378367 OPDBPJWZYLLHKS-SKJUGXCISA-N 344.451 4.141 0 50 EIAA biogenic CN1CCN(Cc2cc(C3CCCCC3)no2)C[C@H]1c1ccccc1 244874263 WXROCUASTSWSQQ-NRFANRHFSA-N 339.483 4.211 0 50 EIAA CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CCCc3occc32)s1 266564960 WANAKTAPQIKANX-JSGCOSHPSA-N 347.484 4.387 0 50 EIAA Cn1ncc(NC(=O)Nc2cc(F)ccc2F)c1-c1ccccc1 348171577 RJRLBCJKRWQILS-UHFFFAOYSA-N 328.322 4.009 0 50 EIAA Cn1nncc1C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1 390833059 BKBISTIKZZRJRB-UHFFFAOYSA-N 347.205 4.041 0 50 EIAA O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)C1CCCC1 409732751 VNQOMLCJXBTALA-UHFFFAOYSA-N 335.407 4.042 0 50 EIAA COCCN(CC1CC1)C(=O)c1ccc(-c2ccc(F)c(C)c2)cc1 426409422 PCSOSJQUBFUGLG-UHFFFAOYSA-N 341.426 4.300 0 50 EIAA CCc1nnc([C@H]2CCCN(Cc3ccc(Cl)c(OC)c3)[C@H]2C)o1 952852826 VXSHIPWQBKRFNQ-JSGCOSHPSA-N 349.862 4.062 0 50 EIAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc2c1CCC2=O 952969262 AROUTNYLDKYUCK-UHFFFAOYSA-N 347.336 4.107 0 50 EIAA CC[C@H]1CN(Cc2ccc(C(F)(F)F)c(F)c2)CCN1C(C)C 1529099439 XMTHABUVMBJUJE-AWEZNQCLSA-N 332.385 4.149 0 50 EIAA CCc1ccccc1Nc1nc(-c2c(C)nc3ncccn23)cs1 111009 SETVZBIEUSUTDO-UHFFFAOYSA-N 335.436 4.467 0 50 EIAA CCCc1ccc(OC(=O)COc2cccc(Br)c2)cc1 148529 FNRGOWXMBLGJOO-UHFFFAOYSA-N 349.224 4.386 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(O)cccc12 284278 FKXCMEYVEAULGJ-UHFFFAOYSA-N 341.388 4.036 0 50 EIAA Cc1c(Cl)c(=O)oc2c(C)c(OCC(=O)c3ccccc3)ccc12 452437 ORBBKTMKGQNULE-UHFFFAOYSA-N 342.778 4.325 0 50 EIAA CNc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 482300 BDXJAAUCIJGBGG-UHFFFAOYSA-N 345.398 4.435 0 50 EIAA CCC(=O)n1nc(-c2ccccc2)nc1NCc1ccccc1Cl 612194 KJKCXXORWASOSB-UHFFFAOYSA-N 340.814 4.261 0 50 EIAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccco1 2767973 SDOJFDDGOUNMID-UHFFFAOYSA-N 341.388 4.355 0 50 EIAA CCCCC1(CCCC)NC(=S)N(Nc2ccc(C)cc2)C1=O 2897192 WBYUIYQSAQZICW-UHFFFAOYSA-N 333.501 4.158 0 50 EIAA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccncc1 4512017 LDHSHYCGSDAQPD-UHFFFAOYSA-N 340.386 4.253 0 50 EIAA Cc1ccc(OCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C 5008668 KLPKQXHAYKJJBR-UHFFFAOYSA-N 327.468 4.015 0 50 EIAA CCCc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1ccccc1 12274642 XJKYZBUFEYCOFU-UHFFFAOYSA-N 334.423 4.089 0 50 EIAA C/C(=C\c1ccco1)CN[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12297436 NBTZEBHIKQNEHY-FERCGXDMSA-N 346.434 4.202 0 50 EIAA Cc1cccc(-n2c(S)nnc2CSCc2ccccc2)c1 17067131 DHJXLFRLRACVFQ-UHFFFAOYSA-N 327.478 4.298 0 50 EIAA COc1ccc(-c2noc(CCCc3c[nH]c4ccccc34)n2)cc1 20598126 NKSIPDPERIXEOG-UHFFFAOYSA-N 333.391 4.402 0 50 EIAA CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccc(OC)cc1OC 55227511 ZDIYQMVJXSTXKD-ZDUSSCGKSA-N 333.453 4.206 0 50 EIAA Cc1ccc(SC2CCN(Cc3cnc(N(C)C)s3)CC2)cc1 72150788 CMCDJMKBLXSIIX-UHFFFAOYSA-N 347.553 4.274 0 50 EIAA COc1cccc2c1CCCCN2C(=O)c1coc(-c2ccccc2)n1 129121944 WDMYHXCBBSKXIE-UHFFFAOYSA-N 348.402 4.333 0 50 EIAA Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)c1C 130036267 XWABCBCGAQSWHR-UHFFFAOYSA-N 341.361 4.328 0 50 EIAA O=C(NCc1cccc(O)c1)Nc1ccccc1CCC(F)(F)F 176504421 BHKSLBRYZQKBFJ-UHFFFAOYSA-N 338.329 4.209 0 50 EIAA CC[C@H](NC(=O)c1ccccc1OC(F)F)c1nc(C)c(C)s1 222925630 RCMVJNVDDKVTLZ-LBPRGKRZSA-N 340.395 4.242 0 50 EIAA CC(=O)Nc1ccc(C(=O)[C@H](C)N2CCC[C@H]2c2cccs2)cc1 241301088 LQHAXQKJRFKEHW-GUYCJALGSA-N 342.464 4.115 0 50 EIAA C[C@H](c1cc2ccccc2o1)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O 277993111 UQVDDDILKVZXDD-CLWVCHIJSA-N 338.407 4.089 0 50 EIAA CCc1ccnc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1 362276648 HXQQSQQTUDLTFG-KRWDZBQOSA-N 335.407 4.153 0 50 EIAA Cc1ccc([C@@H](C)[C@H](O)c2nc(Cc3c(F)cccc3F)no2)cc1 895993873 JEVYCIKGTFRNKG-XIKOKIGWSA-N 344.361 4.084 0 50 EIAA CCC[C@H](C)c1nc(-c2cc3ccc(F)cc3[nH]2)n([C@@H]2CCOC2)n1 1875349135 NVRDGVOSXHJADT-SWLSCSKDSA-N 342.418 4.431 0 50 EIAA O=C(NCC[C@@H]1CCOc2ccccc21)NCc1ccccc1Cl 2325879985 OTVLFSYJAPDQEU-CQSZACIVSA-N 344.842 4.096 0 50 EIAA O=C1C[C@H](c2ccc(Cl)cc2)Sc2nc(-c3ccccc3)nn21 67877 WRXONHLFILKZQE-CQSZACIVSA-N 341.823 4.476 0 50 EIAA CCOc1ccccc1Nc1cc(C)nc2ccc(C(=O)OC)cc12 144072 ADEONPFBEMWJTM-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c1 310994 KKNOZNJXFYPFAD-QGZVFWFLSA-N 333.387 4.331 0 50 EIAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2ccccc2c1 442447 JLBBVNHXISKUBV-UHFFFAOYSA-N 347.823 4.303 0 50 EIAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1 454280 INJIQHBFFMCXPI-SECBINFHSA-N 326.179 4.105 0 50 EIAA Cc1ccc(SCC(=O)NCCSCc2cccs2)cc1 2876658 VPLTWKXKRBKQKQ-UHFFFAOYSA-N 337.535 4.198 0 50 EIAA COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 4844858 DVZSOTJRYZTPCU-UHFFFAOYSA-N 345.420 4.177 0 50 EIAA COc1ccc(C2=NN3[C@H](C)Oc4ccc(Cl)cc4[C@@H]3C2)cc1 4854145 WANYYFHINYYQKR-GTNSWQLSSA-N 328.799 4.238 0 50 EIAA CC1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 5064726 MUKRBFDUWFBODB-UHFFFAOYSA-N 335.662 4.317 0 50 EIAA Cc1ccc(CN[C@@H](C)c2cnc(N3CCCCCCC3)nc2C)o1 12594338 YSKFTIPLAZEPJM-INIZCTEOSA-N 342.487 4.308 0 50 EIAA COc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1C 22876348 JBVBLQNLYNAOND-IFMALSPDSA-N 342.527 4.233 0 50 EIAA CCC[C@@H](C)N(CC)Cc1ccccc1-c1nc(C2CC2)cc(=O)[nH]1 67641838 CFWQDTGAGGXALV-OAHLLOKOSA-N 339.483 4.325 0 50 EIAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ncoc1C1CC1 72430339 VDCWTCMNPWAFKR-UHFFFAOYSA-N 345.449 4.009 0 50 EIAA O=C(c1c[nH]c2ccc(Br)cc12)C(Cl)(Cl)Cl 97756644 ZYGJNIUTYDBJIA-UHFFFAOYSA-N 341.419 4.483 0 50 EIAA COc1ccccc1C(C)(C)NC(=O)Nc1snc(C)c1Cl 170597330 RYJHAOVNISOVFR-UHFFFAOYSA-N 339.848 4.170 0 50 EIAA O=C(Cc1ccc(Cl)s1)N(Cc1ccco1)c1ccccn1 193363529 UQGKZDREAOZOIC-UHFFFAOYSA-N 332.812 4.165 0 50 EIAA COc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 222354222 OCCRAOGGTJCSKO-ATZDWAIDSA-N 339.391 4.028 0 50 EIAA CC(=O)c1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cs1 240825142 QNILCJGHDJCRGZ-UHFFFAOYSA-N 349.883 4.088 0 50 EIAA O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2C=CC=CC=C2)CC1 252504177 VHXMDPMRMTXMHL-UHFFFAOYSA-N 341.838 4.060 0 50 EIAA Fc1cc(Br)cc(OCCOCc2ccccc2)c1 261493860 KWEPTJKFHZFIIV-UHFFFAOYSA-N 325.177 4.184 0 50 EIAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cccc(-c3cnccn3)c2)C1 299762449 VNCXZPOPIOKBOV-DYESRHJHSA-N 335.451 4.184 0 50 EIAA CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1cc(O)ccc1F)CCO2 872062563 IFWRIXLURSTFGV-KPZWWZAWSA-N 331.387 4.104 0 50 EIAA COc1c(Cl)cccc1-c1noc([C@H]2CCN2C2CCCC2)n1 904185818 IIMHKTQRMNBZSF-CQSZACIVSA-N 333.819 4.088 0 50 EIAA Cc1ccc(-c2cc(C(=O)NC[C@H]3C[C@H]3c3ccccc3)no2)cc1 1775977071 VZHBOXYILFWSJL-MSOLQXFVSA-N 332.403 4.184 0 50 EIAA Cc1cccc(Cn2nc(-c3ccc(C)o3)nc2[C@@H]2C[C@@H]3CC[C@H]2O3)c1 1857722313 GVASDWXKIHYDFY-RCCFBDPRSA-N 349.434 4.238 0 50 EIAA CN1CC[C@H](n2ccnc2-c2ccc(N(C)c3ccccc3)cc2)C1 1857741334 NWJKIGRQWFWEGK-FQEVSTJZSA-N 332.451 4.195 0 50 EIAA Cc1ccc(-c2cncc(C(=O)NCc3ccncc3Cl)c2)cc1 2325864954 GYCXMJZZTZQABI-UHFFFAOYSA-N 337.810 4.035 0 50 EIAA Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)n2)cc1 351409 VZSSVRAQYMTPHQ-UHFFFAOYSA-N 327.387 4.065 0 50 EIAA COc1ccc(Cl)cc1NC(=O)COc1cc(C)cc(C)c1C 382538 XZSIFPUETSBPES-UHFFFAOYSA-N 333.815 4.291 0 50 EIAA COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccco2)C1 385984 BETUXAPBFPGAPT-GOSISDBHSA-N 346.386 4.280 0 50 EIAA CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 444018 OJCGTYBQFGAZEL-UHFFFAOYSA-N 348.855 4.003 0 50 EIAA Cc1cc(C)nc(N(C#N)[C@H](C(=O)c2ccccc2)c2ccccc2)n1 471029 AOFKMNAZVCVSNX-IBGZPJMESA-N 342.402 4.005 0 50 EIAA CCOCCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 2818628 MPQOOHHUGJPTBM-GOSISDBHSA-N 329.465 4.063 0 50 EIAA COc1cc(C)ccc1OCCOCCOc1ccc(C)c(C)c1 2983670 CSWIIPIBILAHFY-UHFFFAOYSA-N 330.424 4.095 0 50 EIAA COc1ccc(OCc2ccc(C(=O)NCc3ccccc3)cc2)cc1 3081982 VZDVEXMLVMOVRP-UHFFFAOYSA-N 347.414 4.204 0 50 EIAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2C)CC(=O)N1 4913436 VCRFLIUTGCKIHX-GOSISDBHSA-N 341.451 4.139 0 50 EIAA CC1(C)CC(=O)c2c([nH]c3ccccc3c2=NCc2ccccc2)C1 5563783 UFEQPHYISGZSKN-UHFFFAOYSA-N 330.431 4.424 0 50 EIAA FC(F)(F)c1cccc(-n2c(S)nnc2CCc2ccccc2)c1 6402876 RDKKNFYANPZRPK-UHFFFAOYSA-N 349.381 4.360 0 50 EIAA CSc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 9062802 SHLRCLJUXQSKMY-UHFFFAOYSA-N 340.492 4.259 0 50 EIAA Cc1ccc(N[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1C 12449124 ULQSSQZQRAOGPI-HNNXBMFYSA-N 328.378 4.049 0 50 EIAA CCOc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 15799795 RBLQQLMRGZMJLT-VBKFSLOCSA-N 325.389 4.326 0 50 EIAA Cc1nccc(-c2cccc(-c3ccn(Cc4scnc4C)n3)c2)n1 19218690 POUWBPHNPRYRBX-UHFFFAOYSA-N 347.447 4.129 0 50 EIAA Cc1cccnc1-n1nc(C2CC2)nc1Cc1c(C)[nH]c2ccccc12 67783965 CJZFNUBQFTVLIN-UHFFFAOYSA-N 343.434 4.229 0 50 EIAA CCc1ncc2c(n1)CN(C(=O)c1ccc(-c3ccccc3C)cc1)C2 71749577 RRHUEOGXLKFHQI-UHFFFAOYSA-N 343.430 4.170 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)NCCc1c[nH]c2ccccc12 75875891 RHVIFMFJOOWUDZ-UHFFFAOYSA-N 327.453 4.029 0 50 EIAA Clc1cncc(Cl)c1CN1CCCC[C@H]1CCn1cccn1 77407230 GGQKXUHQXMKCGM-ZDUSSCGKSA-N 339.270 4.030 0 50 EIAA Cc1nc(C)c(C)c(NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 91860507 SXXYCXPFRHRRHD-UHFFFAOYSA-N 344.890 4.132 0 50 EIAA Cc1ccc(C)c(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1 239259394 ZEFIFGVSTCXILK-GUDVDZBRSA-N 333.431 4.377 0 50 EIAA O=C(Nc1ccncc1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 253431344 VJNLKQQEGZXJLC-SFHVURJKSA-N 347.422 4.231 0 50 EIAA Cc1c(C(=O)N2CCCc3occc3C2)cccc1-c1ccccn1 346514056 ZWQPRSLKZPJXPR-UHFFFAOYSA-N 332.403 4.239 0 50 EIAA COc1cc(CN2CC(c3ccncc3)C2)ccc1OCC=C(C)C 824609399 IEROSCBRTULOGJ-UHFFFAOYSA-N 338.451 4.035 0 50 EIAA CCCc1c(C(=O)Nc2ccnn2C2CCC2)cnn1C1CCCC1 890359059 JJXRSPPGBTWGIH-UHFFFAOYSA-N 341.459 4.125 0 50 EIAA Oc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1OC(F)(F)F 1772810358 KXZHTUWEUDXJGM-UHFFFAOYSA-N 327.306 4.124 0 50 EIAA O[C@@H]1C[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]2C1 1800413180 CWOZVFAZCRFKCD-ALXJQNPVSA-N 343.854 4.335 0 50 EIAA O=C(OCc1cncs1)c1cccc(Oc2ccc(Cl)cc2)n1 2325735847 MYBBGMVXBAYGNB-UHFFFAOYSA-N 346.795 4.341 0 50 EIAA CCCOc1ccc(C(=O)N[C@H]2CCOC(C)(C)C2)cc1C(C)C 2325758384 XDGOZTJAKNHPQO-INIZCTEOSA-N 333.472 4.286 0 50 EIAA O=C(NCCc1ccc2occc2c1)N[C@@H]1C[C@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3 2325879836 JJRDFYAWCKCORT-PLOWYNNNSA-N 338.451 4.099 0 50 EIAA CCOc1ccc(C(=O)N2CCCc3ccccc32)cc1OCC 265949 UVVOBNJFDGKLQG-UHFFFAOYSA-N 325.408 4.077 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)cc1 393967 QDTDLVFOJQOBCW-UHFFFAOYSA-N 349.411 4.007 0 50 EIAA CCN(C(=O)CSc1nc2ccccc2s1)c1ccccc1 561722 ODYQYPKAOHNJGF-UHFFFAOYSA-N 328.462 4.442 0 50 EIAA CNc1cnn(-c2ccc(C)cc2)c(=O)c1Sc1ccc(C)cc1 1398194 DQHPAYGRKMXPED-UHFFFAOYSA-N 337.448 4.042 0 50 EIAA COC(C(=O)NCc1ccc(C)cc1)(c1ccccc1)c1ccccc1 2736166 PDYBKFCFDUMHCM-UHFFFAOYSA-N 345.442 4.201 0 50 EIAA O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 4655894 NZNPJNABCIXJEF-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 4749707 KNVOCVZOVURAIR-JTQLQIEISA-N 325.195 4.103 0 50 EIAA Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1 4833701 UGBPZROAJWLIBU-HXUWFJFHSA-N 344.414 4.105 0 50 EIAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(C)cc2)s1 5950067 GZMZBXZERMGQPO-UHFFFAOYSA-N 334.466 4.214 0 50 EIAA c1cc(-c2ccn(C[C@@H]3CCCCO3)n2)cc(-c2nccs2)c1 20540171 YXTISXLTXFLAGV-INIZCTEOSA-N 325.437 4.243 0 50 EIAA CC(C)(C)CC(C)(C)NC[C@@H](O)COc1ccc2ccccc2c1 22146887 XHSNZRPAPMLASS-GOSISDBHSA-N 329.484 4.384 0 50 EIAA OC[C@@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 23114988 HPPZPHOCCXKJNK-MRXNPFEDSA-N 331.843 4.337 0 50 EIAA CC[C@H](C)N(Cc1ccncc1)Cc1cccc(Cn2cccn2)c1 55133250 OMSSXKSKSYUODB-SFHVURJKSA-N 334.467 4.127 0 50 EIAA COc1ccc(NC(C)=O)cc1-n1ccnc1-c1ccc(Cl)s1 72474305 HZIJWZLZDVJDAC-UHFFFAOYSA-N 347.827 4.221 0 50 EIAA Cc1cc(OC(F)F)ccc1NC(=O)N(C)CCC[C@H]1CCCO1 96136144 BDZCOIALHOLESD-ZDUSSCGKSA-N 342.386 4.019 0 50 EIAA Fc1cc(Br)cc([C@@H](CC2CC2)NCc2ccon2)c1 188185190 FYGDHMMRRKUNLH-OAHLLOKOSA-N 339.208 4.207 0 50 EIAA C[C@@H](NC(=O)[C@H]1CCCN1c1ccccc1)c1ccccc1Cl 225588169 XRPBSMHGDOZYBZ-RDTXWAMCSA-N 328.843 4.186 0 50 EIAA Cc1nc([C@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)no1 241644749 PTBPVIHBOVAWNT-LBPRGKRZSA-N 340.452 4.296 0 50 EIAA C[C@@H](CCc1ccccc1)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 248194364 NUKGCHMUQSQOOQ-IYBAMBBISA-N 327.512 4.317 0 50 EIAA O=C(NC1CC1)c1ccc(NCc2cccc(Cl)c2Cl)cc1 253393874 HTOIXEFHWBRRJY-UHFFFAOYSA-N 335.234 4.498 0 50 EIAA Cc1cccc(-c2cccc(NC(=O)N3CCCN(C)C[C@@H]3C)c2)c1 299780875 CMBBQAGSERQHFU-KRWDZBQOSA-N 337.467 4.220 0 50 EIAA CC(C)c1ccc(-c2nc(CN3C[C@@H](CN)C[C@@H]3C)cs2)cc1 442768445 OFJUTFQIISWESL-LSDHHAIUSA-N 329.513 4.103 0 50 EIAA COc1ccc(F)c(CN[C@@H](C)c2ccccc2-n2cccn2)c1F 952978373 XNBUVLZZPWZLBH-ZDUSSCGKSA-N 343.377 4.010 0 50 EIAA O=C(N(Cc1cccnc1)C1CC1)C(F)(F)c1ccc(Cl)cc1 1321707355 ZYGZTDNEIKLCAI-UHFFFAOYSA-N 336.769 4.018 0 50 EIAA O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1cc(-c2ccc(F)cc2)on1 1775977390 YKIWMRMQUPAMAG-DOTOQJQBSA-N 336.366 4.014 0 50 EIAA Cc1c(N[C@@H](C)c2csc(C(C)(C)C)n2)cnn1C1CCOCC1 1875284666 FHCNOCWLVKCNLH-LBPRGKRZSA-N 348.516 4.470 0 50 EIAA Cc1ccc(-c2ccccc2)cc1C(=O)NOCCOc1ccccc1 2325866703 WYDJXHTVCYUSEK-UHFFFAOYSA-N 347.414 4.402 0 50 EIAA COC(=O)[C@H](OC(=O)c1ccc2c(c1)CCC=C2)c1cccc(C)c1 2325870635 ICYWJULOXATGHJ-LJQANCHMSA-N 336.387 4.026 0 50 EIAA O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 433385 POXFYLKDULPRTF-UHFFFAOYSA-N 333.416 4.473 0 50 EIAA Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(Cl)cc3)C2=O)cc1 1009521 OGNAFWDDDVCBRN-CQSZACIVSA-N 332.812 4.286 0 50 EIAA O=C(CCCOc1ccccc1)Nc1cccc(Br)c1 1779460 XZJKNFBOFWFORT-UHFFFAOYSA-N 334.213 4.247 0 50 EIAA O=c1nc(SC/C=C/c2ccccc2)[nH]c2sc3c(c12)CCC3 2891769 GUAYWTSKNJMELX-VMPITWQZSA-N 340.473 4.279 0 50 EIAA O=C(NCc1ccccc1)[C@@H](Sc1ccccn1)c1ccccc1 7498939 LWFNVDODTLCSHE-IBGZPJMESA-N 334.444 4.231 0 50 EIAA CC(C)CCOc1cccc(NC(=O)c2ccccc2C(=O)O)c1 9783942 LJJAXZWYBHQZBY-UHFFFAOYSA-N 327.380 4.062 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CCCCC1 12138388 BTZKPJOFPZKIFY-UHFFFAOYSA-N 328.456 4.222 0 50 EIAA Cc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCC(C)CC2)cc1 15860269 IOXDFMDPZWMSQE-IBGZPJMESA-N 340.467 4.099 0 50 EIAA Clc1cncc(Cl)c1CN1CCCC[C@@H]1CCn1ccnc1 77555976 HJAPRLGNWDPINW-CYBMUJFWSA-N 339.270 4.030 0 50 EIAA c1ccc2c(N3CCC[C@@H](c4nccn4CC4CC4)C3)nccc2c1 82166418 IFQUTTNFERMKSX-GOSISDBHSA-N 332.451 4.225 0 50 EIAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(Br)cc1)C2 100871942 KNYLDGNGWUERDH-QEORTHHSSA-N 336.273 4.394 0 50 EIAA C[C@@H](Nc1ncnc2c(F)cccc12)c1cccc(-n2ccnc2)c1 170606596 ANCZUMIJAZINJR-CYBMUJFWSA-N 333.370 4.128 0 50 EIAA C[C@@H](Nc1ccc2nc(C(C)(C)C)sc2c1)c1nnnn1C1CC1 190604598 GFUNXNNJLYVOHJ-SNVBAGLBSA-N 342.472 4.088 0 50 EIAA C[C@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)C[C@@H](C)O1 252487523 YTHOLTSEQRFHEO-HGKCTWBKSA-N 345.487 4.462 0 50 EIAA CCC[C@@]1(CO)CCCN(C(=O)c2cccc(-c3cccs3)c2)C1 426388401 LFXHXCOZMRPGKN-HXUWFJFHSA-N 343.492 4.430 0 50 EIAA CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2cn(C)nc2C)cc1 534590638 BRZDJSIKEAJQPK-HXUWFJFHSA-N 348.450 4.014 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H](C(C)C)O1 1529142946 YQEINTIXNSTSCQ-VQIMIIECSA-N 328.456 4.224 0 50 EIAA Cc1c(NC(=O)c2ccc(-c3cccnc3)s2)cnn1C(C)(C)C 2325758797 GUIHGHSQBUJBJQ-UHFFFAOYSA-N 340.452 4.322 0 50 EIAA COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1 340361 MEFQIQSMCDBSST-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 376325 PPWVXVHCWMSQBI-JTQLQIEISA-N 325.742 4.333 0 50 EIAA COc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 444131 VBRDNLPGDBWCEN-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA COc1ccc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)cc1 450871 XLSKIVBTMZENNO-UHFFFAOYSA-N 325.408 4.420 0 50 EIAA C/C(=C/c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 463924 YVZNXTFXGLVHHS-PEZBUJJGSA-N 340.854 4.092 0 50 EIAA O=C(NN1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 469265 KVKXUKVCHCGKBH-UHFFFAOYSA-N 344.842 4.050 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2F)cc1OC 476715 OAIQQOOYBVHXIS-XBXARRHUSA-N 335.762 4.148 0 50 EIAA CCc1ccc(CNc2n[nH]c(NCc3ccc(CC)cc3)n2)cc1 1067322 WAOAEFTWHMBVKW-UHFFFAOYSA-N 335.455 4.154 0 50 EIAA CCCCC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 4556656 VNYSSYRCGWBHLG-KRWJBIJPSA-N 336.472 4.158 0 50 EIAA in-vitro Cc1cc(C2(c3ccc(O)c(C)c3)C(=O)Nc3ccccc32)ccc1O 4951799 ZEKCYPANSOJWDH-UHFFFAOYSA-N 345.398 4.001 0 50 EIAA in-vitro O=S(=O)(c1ccccc1)N(Cc1cccc(F)c1)c1ccccc1 5005657 IHSHLDWVRUVZQV-UHFFFAOYSA-N 341.407 4.221 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 5046697 VASWCGBRDKYHRW-UHFFFAOYSA-N 348.402 4.449 0 50 EIAA Cc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 5520670 BLQORYAAQGEOJO-UHFFFAOYSA-N 340.386 4.253 0 50 EIAA CCN(CC)CCOCCOC(c1ccccc1)c1ccccc1 5847895 YCBQIZCNFRPJKS-UHFFFAOYSA-N 327.468 4.151 0 50 EIAA Cc1cccc(C)c1NC(=O)COCc1cc(-c2cccs2)on1 6876587 RXOQQSKIEJGPGI-UHFFFAOYSA-N 342.420 4.175 0 50 EIAA O=C(Nc1ccc2c(c1)CCC2)c1c(F)c(F)c(F)c(F)c1F 13326435 KQYQJWDVWPXZRR-UHFFFAOYSA-N 327.252 4.123 0 50 EIAA O=C(c1ccc(F)cc1)c1ccc(N[S@@](=O)c2ccccc2)cc1 15636860 MTKZRXDHEPAGMA-XMMPIXPASA-N 339.391 4.191 0 50 EIAA Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)C1CCCCC1 16527384 RCGWOAZYTDITFT-UHFFFAOYSA-N 326.396 4.359 0 50 EIAA C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccccc4Cl)cn1c23 33088855 DUQGKEVOUOVDDW-NSHDSACASA-N 338.794 4.024 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(OC)c1 36620928 UEVNWWSVDJDZNC-QGZVFWFLSA-N 344.386 4.212 0 50 EIAA CCCn1ncc(CN(Cc2ccccc2)Cc2nccs2)c1C 55568741 KPZONGDMQWKMSC-UHFFFAOYSA-N 340.496 4.260 0 50 EIAA C[C@@H](c1ccc2ccccc2c1)N(C)C1CCN(C(=O)C2CC2)CC1 67856121 NRNXCWUPOUFSPV-INIZCTEOSA-N 336.479 4.234 0 50 EIAA Cc1ccc(N(C)c2ccc(C(=O)NCc3ccncc3)cc2)cc1 71375646 ZNDHFXMUQFSSDI-UHFFFAOYSA-N 331.419 4.088 0 50 EIAA O=C(Nc1ccccc1Oc1ccccc1)N1CCCn2cncc2C1 72154429 LJZXXUWDISPXMO-UHFFFAOYSA-N 348.406 4.113 0 50 EIAA Cc1cccc(NC(=O)N2CCCC[C@H]2CCn2ccnc2C)c1C 72168860 WLNILYIKDIWUMT-SFHVURJKSA-N 340.471 4.285 0 50 EIAA Fc1cc(NCc2ncc(-c3cccs3)o2)ccc1-n1cccn1 174303037 SWZQHFLLAXLMMW-UHFFFAOYSA-N 340.383 4.340 0 50 EIAA c1ccc(-n2ccnc2CNc2cccc(OC[C@@H]3CCCO3)c2)cc1 191064108 XGLAWDKRUBHPAJ-FQEVSTJZSA-N 349.434 4.042 0 50 EIAA COc1cccc2[nH]cc(CCN[C@@H]3CCCNc4ccccc43)c12 193273353 YJICBOBAKKNPKP-GOSISDBHSA-N 335.451 4.256 0 50 EIAA CC(C)[C@@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2)no1 238900551 JMTYYNRLUBXXTC-MRXNPFEDSA-N 339.370 4.003 0 50 EIAA CC(C)c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)cc1 252311082 SDNZOAXASNOQOC-RXVVDRJESA-N 340.511 4.147 0 50 EIAA O=C(Nc1ccccc1OCCc1ccccn1)N1CCCCCC1 299801615 ZZNBQTMNVZAUFD-UHFFFAOYSA-N 339.439 4.111 0 50 EIAA COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](C3CC3)C2)c1 497348790 FWFNYZGVPWMEIT-MRXNPFEDSA-N 336.435 4.311 0 50 EIAA Fc1ccc(-c2csc(O[C@@H]3CCOC3)n2)cc1OC(F)(F)F 1875317461 ZIAIIIPOEVHLRV-SECBINFHSA-N 349.305 4.016 0 50 EIAA O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1CCCC[C@H]1C1CCOCC1 2325810443 LDCAHLGFLGNFME-AQNXPRMDSA-N 345.458 4.127 0 50 EIAA CC(C)(C)[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2-c2cccc(F)c2)C1 2325875379 POYPRVZXGUGPBT-HIFRSBDPSA-N 329.419 4.160 0 50 EIAA O=C(O)c1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 292764 NVRSHPQVYMJOAW-UHFFFAOYSA-N 345.398 4.227 0 50 EIAA CC(C)Cc1ccc2c(N)c(C(=O)Nc3ccccc3)sc2n1 367199 LGEGNNVLZIAEDU-UHFFFAOYSA-N 325.437 4.329 0 50 EIAA Cc1cccc(OCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C 367838 MFIYXHDJUIOLSJ-UHFFFAOYSA-N 340.206 4.333 0 50 EIAA COc1cc(NC(=O)c2ccc(OC(C)C)cc2)c(OC)cc1Cl 569606 PZXBPMGKIVLOQZ-UHFFFAOYSA-N 349.814 4.397 0 50 EIAA Cc1ccccc1Cn1cc(NC(=S)N[C@H]2CCCC[C@@H]2C)cn1 2799320 DKHVMMHKFIWGCP-YJBOKZPZSA-N 342.512 4.105 0 50 EIAA CCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 2857331 OMBIDJQQDCOIJR-UHFFFAOYSA-N 330.815 4.122 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 2872421 PTLLWUWTPIJEON-UHFFFAOYSA-N 347.383 4.228 0 50 EIAA CC(C)COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 3900166 PMEIBPMGPHRCMW-UHFFFAOYSA-N 336.435 4.175 0 50 EIAA O=c1oc(/C=C\c2ccccc2)nc2ccc(Br)cc12 4499623 FSHOMKHJBFDOMW-TWGQIWQCSA-N 328.165 4.121 0 50 EIAA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2F)cc1 4689761 WQVKUGIYCFULAW-QGZVFWFLSA-N 343.398 4.069 0 50 EIAA COc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 6702170 IQGQSLPRQVUITH-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(Cc3ccncc3)C2)cc1 15067652 MFDUODSAWXDNKB-IBGZPJMESA-N 336.479 4.474 0 50 EIAA Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)C[C@@H](C)C2 17027330 APSMRPWKIJJWLP-VIFPVBQESA-N 335.329 4.312 0 50 EIAA O=C(Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)C1CCCCC1 18051547 GSSWGEKHLDTZLV-UHFFFAOYSA-N 347.418 4.109 0 50 EIAA COc1ccc(OC)c(-c2cccc(-c3ccn(CCF)n3)c2)c1 19226328 VAEGOGZAXXSJKS-UHFFFAOYSA-N 326.371 4.204 0 50 EIAA COc1cc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc(OC)c1 36620497 CIMYFVMWMQREMV-IBGZPJMESA-N 340.423 4.381 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 72117785 NEIZMTIRPREXDW-UHFFFAOYSA-N 336.435 4.182 0 50 EIAA O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72433880 JIVBCEOVCXDCNI-IBGZPJMESA-N 349.409 4.168 0 50 EIAA Cc1ccccc1-c1c[nH]nc1C1CCN(Cc2ccccn2)CC1 77486807 FRLCHTGGRREYTK-UHFFFAOYSA-N 332.451 4.160 0 50 EIAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3nsnc3c2)C1 100622523 URZQTEXSTRQXIB-YVEFUNNKSA-N 346.525 4.289 0 50 EIAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCC4)[C@H]3C2=O)c1 101838860 FTDFAQZXFNEJEE-XAMWDVODSA-N 333.431 4.095 0 50 EIAA C[C@H](C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)c1cccs1 246348339 OXSWYCIYQMNIHA-BFHYXJOUSA-N 335.494 4.028 0 50 EIAA Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc(F)nc2F)o1 253424335 DSTSHVRDESFTHN-ZWNOBZJWSA-N 335.354 4.266 0 50 EIAA CCc1ccc([C@@H]2CCCCN2Cc2nc(CC(F)(F)F)no2)o1 331688396 XZYXAHYLKYCPQH-LBPRGKRZSA-N 343.349 4.057 0 50 EIAA Cc1cc(O)nc2cc(NC(=O)[C@H](CC(C)C)n3cccc3)ccc12 409414313 PBWFOZGSAXGBGI-SFHVURJKSA-N 337.423 4.276 0 50 EIAA CC(C)(O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 832515201 XRYSTKJZCZCRTD-CYBMUJFWSA-N 347.842 4.223 0 50 EIAA O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(-c2ccncc2)nc2ccccc12 843738632 FJEAKJNXNOFWJW-YESZJQIVSA-N 343.430 4.215 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)Nc1nnc(SC(C)C)s1 1506419147 YLVYOROULMXKFG-UHFFFAOYSA-N 342.515 4.179 0 50 EIAA Cc1ccncc1C(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1529089683 WNULWMUKXOOSQN-RBUKOAKNSA-N 338.451 4.018 0 50 EIAA Cc1nn(C2CCC2)cc1C(=O)N(C)[C@@H](c1ccc(F)cc1)C1CC1 2325776450 NNSNXHKFLDMXDX-LJQANCHMSA-N 341.430 4.279 0 50 EIAA CCC1CCC([C@](C)(O)CNCc2cccc3ccncc23)CC1 2325841865 IFTIWCWSBCCQLA-VFIGECHUSA-N 326.484 4.292 0 50 EIAA COc1ccc2c(c1)c(C(=O)N1CCCc3ccccc3C1)c(C)n2C 2356166280 QQRUAMRHEFGLIA-UHFFFAOYSA-N 348.446 4.084 0 50 EIAA C[N+]1=C(CC(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C 432495 DVDYRJFDEOBVKH-UHFFFAOYSA-O 341.862 4.135 0 50 EIAA Cc1cccc(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)c1 613298 JJCXZKVCFIKTCO-NRFANRHFSA-N 328.415 4.475 0 50 EIAA Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3C)n2)cc1 2875790 RLOORCVZCDABEA-UHFFFAOYSA-N 335.407 4.233 0 50 EIAA Cc1nc(SCc2nnc(-c3ccccc3)o2)nc2c1CCCC2 6703177 RFCAVCDJILOVBF-UHFFFAOYSA-N 338.436 4.006 0 50 EIAA CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(SC)c1 8479270 OMJVHAMQVFYGMZ-HNNXBMFYSA-N 331.437 4.213 0 50 EIAA Fc1cccc(-c2cnnc(NCCCn3ccc4ccccc43)n2)c1 12193817 GLWKZIMKHLXPBH-UHFFFAOYSA-N 347.397 4.135 0 50 EIAA Cc1oc(-c2cccc3ccccc23)nc1CN1C[C@H](C)O[C@H](C)C1 14948393 BFFBNDFVJWUCFN-GASCZTMLSA-N 336.435 4.412 0 50 EIAA CCOc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1 14953021 QOXAGLXDLLSOLC-MRXNPFEDSA-N 335.451 4.430 0 50 EIAA CC[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1Br 23280544 QGCBFFQJWJNOSG-ZDUSSCGKSA-N 342.277 4.231 0 50 EIAA CCOc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 34928955 PBLLCWNZOYHYEZ-UHFFFAOYSA-N 335.201 4.492 0 50 EIAA COc1ccc(OC)c(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c1 67641267 XCVAIMFDYMHIDT-UHFFFAOYSA-N 341.411 4.035 0 50 EIAA CN(C(=O)c1ccccc1-c1ncc[nH]1)[C@H]1CCCc2ccccc21 77407203 ADKNPECEEDYTOF-IBGZPJMESA-N 331.419 4.226 0 50 EIAA CC(C)c1cc(-c2nc(-c3ccncc3)no2)nn1-c1ccccc1 151688420 BZGROHUALLJUGJ-UHFFFAOYSA-N 331.379 4.108 0 50 EIAA C=CC(=O)Nc1cccc(Nc2nc(Cl)ncc2C(F)(F)F)c1 167749986 AXMHVOLJINONIM-UHFFFAOYSA-N 342.708 4.017 0 50 EIAA in-vitro Cc1cc(C)cc(-c2ccc(CN(C)[C@@H](C)C[S@](C)=O)cc2)c1 170595420 LAHHCWBAVPALSR-SBUREZEXSA-N 329.509 4.169 0 50 EIAA Cc1cc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)c(C)s1 195448832 LJHCDTZLWFOTJB-UHFFFAOYSA-N 349.481 4.096 0 50 EIAA CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1 253433620 ZMZYQEDBTQKRCT-QGZVFWFLSA-N 337.427 4.143 0 50 EIAA CCC(CC)c1nnc(NC(=O)N2CC=C(C(F)(F)F)CC2)s1 270389318 XJGYSCRHPDKTCB-UHFFFAOYSA-N 348.394 4.168 0 50 EIAA CNC(=O)c1ccc(C)c(N[C@@H]2CCC[C@H](c3ncccc3C)C2)c1 331500034 HFZBTDVBCIGLAS-FUHWJXTLSA-N 337.467 4.196 0 50 EIAA Cc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1F 497353989 YWVYXLQQKCEVRR-UHFFFAOYSA-N 340.423 4.230 0 50 EIAA O=C(N[C@H](c1ccccc1F)C1CCCC1)c1coc(C2CC2)n1 681601295 JIBNURWQFVNMQV-KRWDZBQOSA-N 328.387 4.352 0 50 EIAA NCc1ccccc1NC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 904651752 IPNXSRPRVJPMQE-JOCHJYFZSA-N 349.478 4.047 0 50 EIAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(Cl)c2occc12 935043902 UWUZMYPZBWMXOE-VIFPVBQESA-N 332.787 4.225 0 50 EIAA CCCC[C@H]1CN(C(=O)c2c(F)ccc(C)c2F)C[C@@H](C(C)C)O1 1615964297 BXNXGZWIYOSMOQ-HOCLYGCPSA-N 339.426 4.329 0 50 EIAA COc1cc(S(=O)(=O)Nc2cccc3ccccc23)c(C)cc1C 1875322813 JMPMNQBGBWWYGX-UHFFFAOYSA-N 341.432 4.266 0 50 EIAA COc1ccc(C(=O)Nc2cccc(C)c2C)cc1Br 309919 MYYHORKMGMQUPO-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA COc1cccc(F)c1C(=O)Nc1c(C)cccc1Br 409508 GYIORDWYMUWXSA-UHFFFAOYSA-N 338.176 4.158 0 50 EIAA O=C(OCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2oc1=O 466848 JVZMFAYMIOHWPQ-UHFFFAOYSA-N 349.169 4.457 0 50 EIAA COc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1 611778 CBOPULRSWJFPFH-UHFFFAOYSA-N 340.301 4.367 0 50 EIAA CCCSc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 2266069 HCDWNLCBSPMDDL-UHFFFAOYSA-N 328.850 4.338 0 50 EIAA Cc1cc(SCC(=O)NC2CCCCC2)nc2c(C)cccc12 2869322 QCXGPZBDBHTKKY-UHFFFAOYSA-N 328.481 4.393 0 50 EIAA Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(C)c1 3482365 HCVQGMRIRQJIKK-GOSISDBHSA-N 325.408 4.114 0 50 EIAA O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1cccc(C(F)(F)F)c1 4033330 QOGJWUSMSNNDBM-LLVKDONJSA-N 345.324 4.102 0 50 EIAA C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nccs1 8391719 CRHWHLKHKHFLMO-MRVPVSSYSA-N 343.271 4.025 0 50 EIAA O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](Nc2ccccc2)C1 12449332 ZADQLGJWJYPMAY-HNNXBMFYSA-N 348.368 4.422 0 50 EIAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccncc1 16605076 PFOHPHHVDLWXTB-UHFFFAOYSA-N 331.734 4.090 0 50 EIAA COc1ccc(CNCc2ccccc2C(F)(F)F)cc1OC 54992183 PIMJBNBLUMZCLH-UHFFFAOYSA-N 325.330 4.012 0 50 EIAA O[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccncc1)c1ccccc1 65488571 IXMOBZJKTCZTGA-FQEVSTJZSA-N 341.414 4.346 0 50 EIAA COc1ccc(CN2CCCC2)cc1Oc1cccc(-n2cccn2)c1 67713242 DUEMFPVGZPQQDO-UHFFFAOYSA-N 349.434 4.269 0 50 EIAA CCC[C@H](C)c1c(-c2ccccc2)ncn1Cc1cc(COC)[nH]n1 67713873 OTDZHNAMFVWGNR-HNNXBMFYSA-N 338.455 4.372 0 50 EIAA CC(C)(C)c1cc(Br)cc(I)c1 67796605 QOBRAZDMDGZKHL-UHFFFAOYSA-N 339.014 4.351 0 50 EIAA c1ccc(-c2nc(N3CC(c4ccncc4)C3)c3ccccc3n2)cc1 71708108 ZCBTZXGHQRREMV-UHFFFAOYSA-N 338.414 4.296 0 50 EIAA OCc1cccc(-c2ccc(-c3nc(-c4ccccc4F)no3)cn2)c1 72143597 PQSITDFUBJRQEV-UHFFFAOYSA-N 347.349 4.097 0 50 EIAA COCCC[C@@H]1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)C1 82161633 FNBHSDRMWUBKTL-AWEZNQCLSA-N 346.858 4.167 0 50 EIAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)[C@H](C)c1cncs1 91486804 ZXOOSWAYWBUYED-CQSZACIVSA-N 341.480 4.312 0 50 EIAA Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1 96024568 IEKSMUSSYJUQMY-UHFFFAOYSA-N 328.322 4.103 0 50 EIAA in-vitro CCOC(=O)c1cnc2c(Br)c(C)ccc2c1Cl 131836222 DKAGIUYHZICIAY-UHFFFAOYSA-N 328.593 4.136 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C1CCCC1 170631256 IHNAWVBPGOALLC-KZNAEPCWSA-N 336.520 4.192 0 50 EIAA CCN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1C(F)(F)F 222588170 YJJRSKGUYVQISF-UHFFFAOYSA-N 339.361 4.145 0 50 EIAA Cc1cc(C)c(NC(=O)CN(C)CCO[C@@H]2CCCC[C@H]2C)c(C)c1 230197502 VXMHYJLIVVYGJE-VQIMIIECSA-N 346.515 4.077 0 50 EIAA CCOc1ccc(NC(=O)N(C)Cc2ccn(CC)c2)cc1Cl 252509342 YLSXPVWLQAILDE-UHFFFAOYSA-N 335.835 4.224 0 50 EIAA COCOCCCC1=C[C@@]2(C)[C@H](O[C@H]3CCCCO3)C[C@H]1C2(C)C 257355780 CQTREKVZRJXWPL-XSYGEPLQSA-N 338.488 4.291 0 50 EIAA Cc1ncccc1-c1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299768837 MOVWWWRRORNADE-OTWHNJEPSA-N 346.434 4.133 0 50 EIAA Cc1ccc2c(C)c(C(=O)Nc3ccccc3-n3cccn3)oc2c1 334161945 HQAJCKQTKPUSMR-UHFFFAOYSA-N 331.375 4.488 0 50 EIAA Cc1ccc(C2CCN(C(=O)[C@]3(C)CCc4ccccc4C3)CC2)cn1 341233392 AWOHTJFKYRCHIA-HSZRJFAPSA-N 348.490 4.291 0 50 EIAA Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1C2 409413560 GHWUZZCCPXLMSI-APEJVOGHSA-N 328.500 4.135 0 50 EIAA CCc1noc2ncc(C(=O)N[C@@H]3CCCCC34CCCC4)cc12 462412160 ZMYRACOMMPBAEV-MRXNPFEDSA-N 327.428 4.018 0 50 EIAA Cc1cc(-n2cccn2)ccc1CN1CCCC[C@H]1c1nccs1 825145647 KAYNNTYFPQYJMU-SFHVURJKSA-N 338.480 4.364 0 50 EIAA Cc1[nH]c2c(C(=O)Nc3cccc(C(=O)N(C)C)c3C)cccc2c1C 828172276 UONNKOSVKWOVSN-UHFFFAOYSA-N 349.434 4.047 0 50 EIAA O=C(CC1(Cn2cccc2)CCCCC1)NC[C@H]1C[C@H]2C=C[C@H]1C2 888103946 MYPPXOGXJJTZRS-GBESFXJTSA-N 326.484 4.157 0 50 EIAA Cc1noc(C)c1C(C)(C)NC(=O)c1ccnc2cc(Cl)ccc12 935963141 LGPSQCNWTFCDDB-UHFFFAOYSA-N 343.814 4.158 0 50 EIAA CC(=O)c1ccc(N2CCOCC2)c(-c2cc(Cl)c(O)cc2C)c1 1772709258 DTILRCPHRMEIMA-UHFFFAOYSA-N 345.826 4.060 0 50 EIAA O=C(NC[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1775976286 PXURGCHUVHGTIS-WZGPROSRSA-N 325.839 4.363 0 50 EIAA Cc1ccc(O)c(-c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 389941 DEZZWDCPPYGPMB-UHFFFAOYSA-N 328.371 4.067 0 50 EIAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)O 397411 MROIECGIYKVCQE-UHFFFAOYSA-N 325.151 4.336 0 50 EIAA O=C(C(=O)N1CCCCCC1)c1c(-c2ccccc2)cc2ccccn12 1774889 RBTHGVFCSHNIJP-UHFFFAOYSA-N 346.430 4.192 0 50 EIAA Cc1ccccc1[C@H](CC(=O)N(C)Cc1ccon1)c1ccccc1 12432535 RQGAHEMIOTXIDK-HXUWFJFHSA-N 334.419 4.164 0 50 EIAA COc1ccc(CN[C@H](C)CC(C)(C)c2ccc(C)o2)cc1OC 22077600 LTUAVHZKSHKCTF-CQSZACIVSA-N 331.456 4.451 0 50 EIAA Cc1nn(C)c(Cl)c1CN(Cc1cccnc1)Cc1ccsc1 55211598 ZELSQGJHFXPDPU-UHFFFAOYSA-N 346.887 4.041 0 50 EIAA Cc1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 55542999 YGFVAHJFNCTNKU-UHFFFAOYSA-N 334.385 4.336 0 50 EIAA O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCC[C@@H]1c1ccccn1 77428537 VFQFNVXSKXNGJJ-HXUWFJFHSA-N 347.393 4.260 0 50 EIAA Cc1cc(N2CC[C@H](c3ccc(C(=O)O)cc3)C2)nc2ccccc12 77485329 WKCGOELSPCCLPD-KRWDZBQOSA-N 332.403 4.235 0 50 EIAA COCCN(Cc1ccsc1)C(=O)c1oc2cc(C)ccc2c1C 91818115 AUKIZHVLXAUOCJ-UHFFFAOYSA-N 343.448 4.400 0 50 EIAA COc1ccccc1C[C@@H](C)N[C@H](c1nc2ccccc2[nH]1)C(C)C 170669666 FRCBQYITQVKREN-QRWLVFNGSA-N 337.467 4.489 0 50 EIAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239331321 KMGBJUJLCHILAK-CEEVZKBLSA-N 335.875 4.357 0 50 EIAA O=C(C[C@H]1CCCOC1)NCc1ccc(-c2ccc(Cl)cc2)o1 299772790 AEYJLNRNDHKRRZ-CYBMUJFWSA-N 333.815 4.033 0 50 EIAA CC1(C)C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CO1 333142757 DFUFBINFLWWPJR-QGZVFWFLSA-N 331.460 4.074 0 50 EIAA CSc1cccc([C@H](NCc2ncc[nH]2)c2ccc(F)c(F)c2)c1 344756369 IBVUKOOYSSHPHX-SFHVURJKSA-N 345.418 4.289 0 50 EIAA CSc1ccc(CN(C(=O)NCc2csc(C)n2)C2CC2)cc1 426504475 LKEQTZOIRANSTM-UHFFFAOYSA-N 347.509 4.048 0 50 EIAA CCc1cccc(CN(c2ccc(Cl)cc2F)S(C)(=O)=O)c1 468509513 FXXRXGRZERJQMG-UHFFFAOYSA-N 341.835 4.008 0 50 EIAA c1ncc(-c2ccc(CNc3nc(C4CCCC4)ns3)cc2)[nH]1 871073598 BQVHFTWIESTEIY-UHFFFAOYSA-N 325.441 4.198 0 50 EIAA COc1cccc(Oc2ccc(NC(=O)c3cc(C)nc(C)c3)cn2)c1 952981135 YSENOMDISXZGCF-UHFFFAOYSA-N 349.390 4.147 0 50 EIAA CCc1nccc(CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)n1 1529195247 HIRJFTYNFURBJH-RBUKOAKNSA-N 339.483 4.027 0 50 EIAA O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@@]2(CCC[C@H]2O)C1 1704339571 MOPBGQZARSVZBM-IRLDBZIGSA-N 335.447 4.121 0 50 EIAA CC1(C)CCC(CC(=O)N[C@H](CCC(=O)O)Cc2ccccc2)CC1 1875337312 WUYPSXRNOGVPMK-GOSISDBHSA-N 345.483 4.185 0 50 EIAA COc1ccc2c(N3CCCC[C@@H]([C@@H]4CCOC4)C3)cc(C)nc2c1 1875408470 XKEZSXMGKTVBPF-IAGOWNOFSA-N 340.467 4.195 0 50 EIAA COc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 101737 LNMOBOCUMOIVCH-UHFFFAOYSA-N 330.185 4.145 0 50 EIAA CN(C)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 151339 XLEDKTYDODEJLY-UHFFFAOYSA-N 332.329 4.458 0 50 EIAA CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](CN3CCCCC3)O2)cc1 171793 VVQPTNXUXFFVHA-WOJBJXKFSA-N 331.500 4.144 0 50 EIAA CN(C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1)c1ccccc1 272324 VHQIQHOWOUXCLB-UHFFFAOYSA-N 344.414 4.240 0 50 EIAA O=C(NCc1ccccn1)[C@H](Sc1ccccc1)c1ccccc1 337655 NHVGRAJLWVINPR-LJQANCHMSA-N 334.444 4.231 0 50 EIAA CCn1cc(Cl)c(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)n1 374965 OKMIEDFKOZIFKX-GFCCVEGCSA-N 333.863 4.345 0 50 EIAA COc1cc(NC(=O)c2cccc(OC(C)C)c2)c(OC)cc1Cl 859283 AOMKIOMPFQEDJW-UHFFFAOYSA-N 349.814 4.397 0 50 EIAA Cc1cc(-c2noc(COc3ccccc3F)n2)c2ccccc2n1 1426814 YVXZZWCTFABUFC-UHFFFAOYSA-N 335.338 4.311 0 50 EIAA O=Cc1ccccc1OCCOc1ccc(Cl)c2cccnc12 2862915 VTVGLORWDPELFX-UHFFFAOYSA-N 327.767 4.159 0 50 EIAA CC(=O)Oc1ccc(-c2cccc(C(=O)NCc3ccccc3)c2)cc1 2967376 NIFYQMBUWINXDG-UHFFFAOYSA-N 345.398 4.209 0 50 EIAA Cc1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 2999291 VBVBPZSFXGUCPB-UHFFFAOYSA-N 331.220 4.378 0 50 EIAA C[C@@H]1C[C@@H](C)CN(CC(=O)N2c3ccccc3CCc3ccccc32)C1 4776939 UXMJITOZBAWGQO-QZTJIDSGSA-N 348.490 4.428 0 50 EIAA Clc1ccc(CNc2ccc(N3CCOCC3)cc2)c(Cl)c1 4911713 SIAXZGXOBVPPSZ-UHFFFAOYSA-N 337.250 4.442 0 50 EIAA Nc1c([S@@](=O)Cc2ccccc2)sc2nc3c(cc12)CCCC3 5027624 GOLZGMWGXLPYNI-HSZRJFAPSA-N 342.489 4.065 0 50 EIAA Sc1nnc(-c2ccncc2)n1-c1ccc(Oc2ccccc2)cc1 5687905 YZPAGIZAJQYMEJ-UHFFFAOYSA-N 346.415 4.410 0 50 EIAA CC[C@H]1CCc2sc(C(=O)Nc3nnc(C4CC4)s3)cc2C1 6489703 YXBVKVOAQRVLHN-VIFPVBQESA-N 333.482 4.244 0 50 EIAA O[C@]1(c2ccccc2)CC[C@@H](c2ccccc2)[C@@]1(O)c1ccccc1 6864461 XQYDCDIWHVZGRN-VABKMULXSA-N 330.427 4.340 0 50 EIAA Clc1ccc(OCCCc2n[nH]c(-c3ccncc3)n2)c(Cl)c1 7986358 GPNQRJJNKMXRCX-UHFFFAOYSA-N 349.221 4.185 0 50 EIAA Cc1c(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)oc2c(F)cccc12 12573730 UKWOLWCTCNNMKG-AWEZNQCLSA-N 345.414 4.348 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)N1CCN(C2CCCCC2)CC1 17070674 YAEMMARRCSDQQO-UHFFFAOYSA-N 335.879 4.131 0 50 EIAA CC(C)c1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)n[nH]1 19147177 RWINNMOBOCZATJ-OAHLLOKOSA-N 345.874 4.281 0 50 EIAA COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1ccccc1C 36620769 AMNKLXMYZAGIFX-HNNXBMFYSA-N 344.436 4.212 0 50 EIAA CC(C)(NC(=O)Cc1cccc2ccccc12)[C@H](O)c1ccccc1 39248436 WJXDSHWLGMVTSR-OAQYLSRUSA-N 333.431 4.011 0 50 EIAA c1cn(-c2ccc3c(c2)OCO3)c(-c2ccc([C@@H]3CCCCO3)o2)n1 67695768 CNULQTKLPUJYPG-AWEZNQCLSA-N 338.363 4.103 0 50 EIAA CN(C)[C@H]1CCCCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1 82139238 WQKZMFHSQCFWPA-FQEVSTJZSA-N 340.442 4.049 0 50 EIAA CCOC(=O)c1ccc(N[P@@](C)(=O)Oc2ccc(OC)cc2)cc1 100315668 WEVYPJDCFLVKSU-DEOSSOPVSA-N 349.323 4.186 0 50 EIAA CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CO[C@@H]1C2 102178855 XXHSKVZXPIQTFH-WETWKRFOSA-N 348.483 4.112 0 50 EIAA in-vitro COCCOC1CCN(Cc2cccc3c2oc2ccccc23)CC1 215161409 AQFONSYOYHPIFA-UHFFFAOYSA-N 339.435 4.213 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 280642227 BGYQVIDDFYTYBA-UGSOOPFHSA-N 344.434 4.298 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)[C@@]2(C)CCCCO2)CC1 299790053 AXNPTYBORXDYPM-LJQANCHMSA-N 333.497 4.037 0 50 EIAA Cc1csc([C@@H]2CCCCN2Cc2nc(C3CCCC3)no2)n1 328617289 UAOFDCHXPQOEJI-AWEZNQCLSA-N 332.473 4.219 0 50 EIAA O=C(c1cnc2c(F)cccc2c1)N1CC[C@@H](c2cccc(F)c2)C1 339984478 YVSRRWHEKZDLTJ-OAHLLOKOSA-N 338.357 4.143 0 50 EIAA CC(=O)c1sccc1-c1ccc(C(=O)N[C@H](C)C(F)(F)F)cc1 426407568 NQJMATJFLLBSAS-SNVBAGLBSA-N 341.354 4.298 0 50 EIAA Fc1cc(CN2CCO[C@@H](c3ccccc3)C2)cc(C(F)(F)F)c1 506341353 OUPFATFFARNHQU-QGZVFWFLSA-N 339.332 4.418 0 50 EIAA Cc1nc([C@@H]2CCCN(Cc3cccc4c3oc3ccccc34)C2)n[nH]1 825262185 VUNDSRSKKJMSMX-MRXNPFEDSA-N 346.434 4.392 0 50 EIAA CC(C)n1cc(NC(=O)[C@@H](C)SCc2ccc(Cl)cc2)cn1 1506404153 BGPOVKCDCQELSW-GFCCVEGCSA-N 337.876 4.378 0 50 EIAA CSc1cccc(CN(C(=O)CCc2cccc(O)c2)C(C)C)c1 1506425598 PSTCVBGTQGRIGC-UHFFFAOYSA-N 343.492 4.484 0 50 EIAA CN(C)Cc1ccc([C@@H]2CCCN2c2ncc(Cl)cc2F)cc1 1529155340 RFUUYCZBMOLDKG-KRWDZBQOSA-N 333.838 4.277 0 50 EIAA FC(F)(F)Cc1ccc(-c2nccn2CC[C@H]2CCCOC2)cc1 1857713052 BEXQIEMRTNGQHG-OAHLLOKOSA-N 338.373 4.472 0 50 EIAA Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(-c3ccncc3)cc1)N2 1875349771 MERMQSFTVGPWSJ-FQEVSTJZSA-N 329.403 4.253 0 50 EIAA O=c1c2cc(-c3ccccc3)sc2ncn1CCc1ccccc1 306630 YWNAXGUCNHNSRQ-UHFFFAOYSA-N 332.428 4.368 0 50 EIAA Cc1cc(Sc2nnc(-c3ccccc3)n2C)c2ccccc2n1 308994 FNVBZXUVZCLCPN-UHFFFAOYSA-N 332.432 4.490 0 50 EIAA O=C(Cn1c(-c2ccccc2)nnc1-c1ccccc1)c1ccccc1 336631 BEYKUOWFXNEYCZ-UHFFFAOYSA-N 339.398 4.495 0 50 EIAA COC(=O)c1sccc1NC(=O)c1ccc(-c2ccccc2)cc1 460581 JZGINTNMHKJHNR-UHFFFAOYSA-N 337.400 4.454 0 50 EIAA COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc1 621658 XYNAAHMZCALJER-OAQYLSRUSA-N 347.414 4.223 0 50 EIAA COc1cc(-c2noc(-c3ccccc3Cl)n2)cc(OC)c1OC 2215923 UGTPHHFVIDLQQX-UHFFFAOYSA-N 346.770 4.083 0 50 EIAA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2cccc(F)c2)cc1 4689638 KUDVRPHLPDRQDZ-QGZVFWFLSA-N 343.398 4.069 0 50 EIAA COc1ccc(OC)c([C@H](C)NC(=S)Nc2ccc(C)cc2)c1 7371125 PIHQWSJUJWMYNT-ZDUSSCGKSA-N 330.453 4.060 0 50 EIAA CCCCNC(=O)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844288 ZOYLJECVCQFJSL-UHFFFAOYSA-N 347.418 4.046 0 50 EIAA COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)cc1 10156542 UKMUQDNLZFWJEH-HNNXBMFYSA-N 345.402 4.142 0 50 EIAA CC(C)[C@@H](O)c1ccc2c(c1)CN(Cc1cccc(Cl)c1)CCO2 12036811 WAHVLVAFCDDGFH-HXUWFJFHSA-N 345.870 4.424 0 50 EIAA C[C@@H](Cc1nnc(NC(=O)Cc2cccs2)s1)c1ccccc1 12383642 NRUATEAZLHCFCC-LBPRGKRZSA-N 343.477 4.127 0 50 EIAA Cc1nc(N2CCCCC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 12653575 VOOKKNLXLXLNCU-DOJUMQAQSA-N 347.462 4.234 0 50 EIAA Cc1c(I)ccc(Br)c1Cl 63339645 LTTIZTDAVFVXLF-UHFFFAOYSA-N 331.378 4.016 0 50 EIAA in-vitro Cc1cc(C)cc(OCC[C@H]2CN(Cc3ccccc3)C(=O)O2)c1 71769266 CZNYHRFBGHFFFU-SFHVURJKSA-N 325.408 4.093 0 50 EIAA c1cncc(CNc2cc(-c3nccc4occc34)c3cc[nH]c3n2)c1 72163442 DOCLQNNSOXAIHU-UHFFFAOYSA-N 341.374 4.378 0 50 EIAA CC(=O)c1cc(CC(=O)NCCCSC2CCCCC2)cs1 102538500 XLJQYUIKKYDLRX-UHFFFAOYSA-N 339.526 4.065 0 50 EIAA C[C@@H](Nc1cc(Cl)cc2c1OCC2)c1nnc(-c2ccccc2)o1 164402766 IYBREVLNLHXQQA-LLVKDONJSA-N 341.798 4.498 0 50 EIAA Cc1cccc(Cl)c1CC(=O)O[C@@H](C)c1nc2ccccc2n1C 225418307 XDQAHGCKIBSKCL-ZDUSSCGKSA-N 342.826 4.382 0 50 EIAA CCCC[C@H](NC(=O)C1(c2ccccc2F)CC1)c1cccnc1 299757330 LRZHKWSMXGYPLL-SFHVURJKSA-N 326.415 4.300 0 50 EIAA Cc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1cc(C(C)C)no1 299780266 PLJXTKRRHVSYBM-UHFFFAOYSA-N 340.345 4.397 0 50 EIAA OCC1([C@@H](NCc2cnc(C3CCC3)s2)c2cccs2)CCC1 449765718 KEXSTIWLCNLCOF-INIZCTEOSA-N 348.537 4.466 0 50 EIAA CC(C)C[C@@H](NC(=O)CCCc1ccc(F)cc1)c1cccnc1 821004089 NFQXKFDECKJVRD-LJQANCHMSA-N 328.431 4.447 0 50 EIAA COc1ccc2cc([C@H](C)OC(=O)C[C@@H](C)n3ccnc3)ccc2c1 844413729 NFFQAJHSLDZVLQ-CABCVRRESA-N 338.407 4.300 0 50 EIAA CC(C)c1ccc([C@@H](C)NC(=O)/C=C/c2cc(CO)cs2)cc1 952987950 KUPAEANUNOQNJP-MYSGNRETSA-N 329.465 4.254 0 50 EIAA Cc1ccc(-c2ccc(=O)n(Cc3cccc(OC(C)C)c3)n2)cc1 2325741916 ISHWBIUBPRPAJK-UHFFFAOYSA-N 334.419 4.054 0 50 EIAA CC(C)c1ccc(CC(=O)NCc2nc3c(s2)CCCC3)cc1 2325865320 XWBQSKDVYSDUJZ-UHFFFAOYSA-N 328.481 4.004 0 50 EIAA O=C(NCCc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 81199 VVSBQUDTUBNUGH-UHFFFAOYSA-N 347.389 4.422 0 50 EIAA COc1ccc(NC(=S)Nc2ccc(Cl)cc2C)c(OC)c1 305025 LNWATNTWDRSOSJ-UHFFFAOYSA-N 336.844 4.475 0 50 EIAA Cc1ccccc1OCC(=O)Nc1cc(N)cc(Oc2ccccc2)c1 353961 BLGAJKJJMMYOAL-UHFFFAOYSA-N 348.402 4.387 0 50 EIAA CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 1204723 VLIFXMWHVBWRHX-VBKFSLOCSA-N 325.389 4.326 0 50 EIAA CCOC(=O)c1c(NC(=O)c2cc(C)c(C)s2)sc(C)c1C 2730160 POPZFJZMQQPYGF-UHFFFAOYSA-N 337.466 4.472 0 50 EIAA CC(=O)c1cccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c1 14951103 FFDIOOXVYXYKMI-OAHLLOKOSA-N 333.435 4.234 0 50 EIAA O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2ccccc2)CC1 44932985 UNKWLUYKBRHNMK-QFIPXVFZSA-N 348.490 4.092 0 50 EIAA Clc1ccc([C@H]2CN(CCc3ccccn3)CCO2)cc1Cl 71751279 SHECAWJMNGSQEB-QGZVFWFLSA-N 337.250 4.004 0 50 EIAA COc1cccc([C@H]2CCCCN2Cc2cnc(-c3ccco3)nc2)c1 72423803 CYHBIKTUWFYMPG-LJQANCHMSA-N 349.434 4.472 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)N(C)CCCn3cccn3)c(C)c2c1 77504920 RUBKWTMUAXPKIG-UHFFFAOYSA-N 345.830 4.062 0 50 EIAA COc1ccc(C2=NN3[C@@H](C)Oc4ccc(Cl)cc4[C@H]3C2)cc1 100707907 WANYYFHINYYQKR-PIGZYNQJSA-N 328.799 4.238 0 50 EIAA Cc1nc(CCN2CCC(c3nc4ccccc4o3)CC2)cs1 118961175 CJDKAUUIOBEXLV-UHFFFAOYSA-N 327.453 4.015 0 50 EIAA C[Si]1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21 169818179 HAISEXNNSIJVQF-UHFFFAOYSA-N 348.521 4.434 0 50 EIAA Cc1ccc(C(=O)N(C)c2ncccc2Br)c(Cl)c1 191706436 IKAPVDQAIBRCSY-UHFFFAOYSA-N 339.620 4.083 0 50 EIAA C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@H]1CCCO1 239331258 KJKARWKNWLOOHS-IPELMVKDSA-N 341.476 4.204 0 50 EIAA Cc1cc(C(F)(F)F)ccc1CNCc1cc(-c2cccnc2)n[nH]1 372733835 AZFHKYGPOLBKFQ-UHFFFAOYSA-N 346.356 4.089 0 50 EIAA C[C@@H](C(=O)Nc1nccnc1C1CC1)c1c(Cl)cccc1Cl 906418397 NVALHCPQSVMWBG-SECBINFHSA-N 336.222 4.403 0 50 EIAA COc1ccc(C[C@H](C)CN2C[C@@H](C)C[C@H]2c2cccnc2)cc1F 1308670356 PVWJYWSPOLRRAW-FTRWYGJKSA-N 342.458 4.491 0 50 EIAA Cc1[nH]c2ccccc2c(=NC(=O)[C@@H]2C[C@H]2c2ccncc2)c1C(C)C 1338857355 PASWPUFKXZFITH-ZWKOTPCHSA-N 345.446 4.226 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)Cc1cc(-c2cccnc2)no1 1506400354 FNTKFTDLSUFIHO-FQEVSTJZSA-N 336.439 4.495 0 50 EIAA C[C@H](NCc1cc2cnccc2[nH]1)c1ccc2nc(C3CC3)[nH]c2c1 2325774162 ITIWVCWPNCJYQM-LBPRGKRZSA-N 331.423 4.167 0 50 EIAA COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1 45052 VPAWAHVKEWKPIB-UHFFFAOYSA-N 343.423 4.153 0 50 EIAA CCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 407129 XUQLPPRJAZLDAF-UHFFFAOYSA-N 342.778 4.271 0 50 EIAA biogenic O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Br)o1 2462575 KOAWYGBGSDTAAQ-UHFFFAOYSA-N 349.228 4.285 0 50 EIAA Cc1ccc(C(C)C)c(OCCCN2C(=O)C(=O)c3ccccc32)c1 2859483 GNPTUCXFTPKXSB-UHFFFAOYSA-N 337.419 4.117 0 50 EIAA c1ccc(-c2ccccc2OCCOCCN2CCCCC2)cc1 3460446 JYULRDHEGXZIJL-UHFFFAOYSA-N 325.452 4.235 0 50 EIAA COc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1F 6729008 MMVHMJSOTBUWQW-UHFFFAOYSA-N 327.277 4.034 0 50 EIAA O=C(CC1=CCCCC1)N[C@H]1CCCN(CCCc2ccccc2)C1 12197247 CIBLOQWCTKWSDL-NRFANRHFSA-N 340.511 4.090 0 50 EIAA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C)on1 16341202 OEFYUVQLWMZKIQ-LLVKDONJSA-N 329.183 4.086 0 50 EIAA O=C(Cc1noc(-c2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 16579348 DZCBZOXBHIESAW-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA CCc1cc(C(=O)Nc2ccc(Br)cc2F)cs1 20607056 DORJRBWHZLKSMM-UHFFFAOYSA-N 328.206 4.464 0 50 EIAA O=C(Nc1ccc(F)cc1F)c1cccc(NC(=O)c2ccco2)c1 54856975 CBSQTHLUGHWRNH-UHFFFAOYSA-N 342.301 4.062 0 50 EIAA Cc1nc(Cn2ccnc2-c2ccc(SC3CCCCC3)o2)no1 77504385 BINNVPBMTCLABK-UHFFFAOYSA-N 344.440 4.308 0 50 EIAA CC(C)Cc1cc(C(=O)N(Cc2ccccc2Cl)C2CC2)n(C)n1 82147489 WNWHBXCAAYTXEQ-UHFFFAOYSA-N 345.874 4.077 0 50 EIAA C[C@H]1CCC[C@@H](C)N1C/C=C/[C@](O)(c1ccccc1)c1ccccn1 102198446 YOGCIXBRKGGRLY-UGFLADCKSA-N 336.479 4.137 0 50 EIAA CCn1nc(C)c(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1C 121072660 KHKXFOVXEYDDPJ-IUODEOHRSA-N 330.432 4.118 0 50 EIAA Cc1coc(-c2cccc(NC(=O)N[C@@H](C)c3cccc(O)c3)c2)n1 158326509 KQDRMDAQMJFDLX-ZDUSSCGKSA-N 337.379 4.238 0 50 EIAA Clc1ccc2c(c1)C=C(CN[C@@H](c1nccs1)C1CC1)CO2 174549939 VHFQIKJMEDDCNH-MRXNPFEDSA-N 332.856 4.313 0 50 EIAA CCOc1ccc(NC(=O)c2ccncc2CC)c(C(F)(F)F)c1 183250660 MJQVNKBTSZGSKJ-UHFFFAOYSA-N 338.329 4.314 0 50 EIAA O=C(C1CC=CC1)N1CCC[C@H]1c1cc(F)cc(Br)c1 186282551 CXOVSOYJAPUORA-HNNXBMFYSA-N 338.220 4.218 0 50 EIAA O=C(Nc1ccsc1Cl)N1CCC[C@@H]1C[C@@H](O)c1ccco1 189321758 BNRWQBPMEPLDPF-ZYHUDNBSSA-N 340.832 4.115 0 50 EIAA CCCc1nnc(SCC(=O)c2cccc(Cl)c2Cl)o1 252485635 HASOQRANTSZDPV-UHFFFAOYSA-N 331.224 4.304 0 50 EIAA COc1ccc([C@H]2CCN(C(=S)Nc3ccccc3F)C2)cc1 749773489 HMNDLGCTENQXHV-AWEZNQCLSA-N 330.428 4.021 0 50 EIAA Cc1cc(-n2cccn2)ccc1CN1CCCC[C@@H]1c1nccs1 825145645 KAYNNTYFPQYJMU-GOSISDBHSA-N 338.480 4.364 0 50 EIAA CC(C)(C)c1nc(CN[C@H](c2ccccc2)C2(CO)CCCC2)co1 930681061 ITLKCQUSIJJXAK-GOSISDBHSA-N 342.483 4.356 0 50 EIAA COC[C@@H](C)N(Cc1ccccc1C)Cc1cccc(O)c1Cl 952985980 VFTPLXZTSRQJCS-OAHLLOKOSA-N 333.859 4.391 0 50 EIAA Cc1cc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)ccc1Cl 1506397301 RKWQYGMWOQDJEP-QGZVFWFLSA-N 349.883 4.296 0 50 EIAA CC(=O)c1cnc(N[C@H]2CC3(CCCC3)Oc3ccccc32)nc1C 1772701565 NZEKDJDPDMTRCJ-KRWDZBQOSA-N 337.423 4.236 0 50 EIAA COc1cc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)c(C)cc1C 1875317808 JIWYRKCMMSWUES-UHFFFAOYSA-N 348.464 4.377 0 50 EIAA O=C(c1cccc2ncsc12)N1CC=C(c2ccc(F)cc2)CC1 1940196950 HBJYJMMCHPIYIA-UHFFFAOYSA-N 338.407 4.365 0 50 EIAA c1coc(-c2ccc(CNC3CCN(c4ccncc4)CC3)cc2)c1 2325775346 YKEWDSVUVDBRFS-UHFFFAOYSA-N 333.435 4.100 0 50 EIAA CC[C@@H](C)Cc1nc(-c2ccnn2C(C)C)n(Cc2cccs2)n1 2356161446 WGPUPHOGONVMGU-CQSZACIVSA-N 343.500 4.421 0 50 EIAA CCc1ccc(Oc2coc3cc(OC(=O)OC)ccc3c2=O)cc1 80945 WBQVAGPBANJTHI-UHFFFAOYSA-N 340.331 4.293 0 50 EIAA COc1ccc(CNc2ccc(F)c(Cl)c2)c(OC)c1OC 280265 XMYDPYUBBFSDQG-UHFFFAOYSA-N 325.767 4.117 0 50 EIAA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1 450579 GXJHOKXKQIQSMP-UHFFFAOYSA-N 330.428 4.250 0 50 EIAA CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccccc3)ccc12 451643 VIFOATABKVFSHU-UHFFFAOYSA-N 336.387 4.316 0 50 EIAA CCOC(=O)c1ccc(NC(=S)Nc2ccccc2OCC)cc1 610265 MVJKUHXDFIWIIU-UHFFFAOYSA-N 344.436 4.071 0 50 EIAA O=C(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CCCCCC1 2881599 SYQUKBCSMFTEBA-UHFFFAOYSA-N 347.418 4.420 0 50 EIAA Cc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 3878066 AXZGVNOMZPFYGP-UHFFFAOYSA-N 328.481 4.024 0 50 EIAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C)cc1 4854143 WANYYFHINYYQKR-DIFFPNOSSA-N 328.799 4.238 0 50 EIAA COc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)c(C)c1C 4980972 YJBOMCXKMYTYQP-UHFFFAOYSA-N 338.495 4.251 0 50 EIAA CCc1ccccc1NC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C 8021777 TZRPBYQEJFXHIS-UHFFFAOYSA-N 334.423 4.007 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N(C)Cc3cc(C4CC4)on3)c2c1 77470187 WAHPVUKLIFHGSQ-UHFFFAOYSA-N 349.434 4.298 0 50 EIAA CN(C)Cc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 128610904 RCABIYUHHGLLBV-UHFFFAOYSA-N 326.440 4.004 0 50 EIAA CC1(C)CC[C@H](CSc2nnc(-c3ccccc3F)n2C2CC2)O1 170599423 ZKNBIDRDNMUOQC-CYBMUJFWSA-N 347.459 4.469 0 50 EIAA CN(Cc1cc2ccccc2o1)C(=O)[C@H]1CCCN1c1ccccc1 225591665 ONYFXWKNVGHYKR-LJQANCHMSA-N 334.419 4.060 0 50 EIAA CO[C@@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1 240465947 GBQRYXNVUHHKSJ-NRFANRHFSA-N 325.452 4.055 0 50 EIAA CN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@H](c1ccc(Cl)cc1)c1ccccn1 252510988 CRXUURQUNIJLLP-KCITZHQASA-N 340.854 4.329 0 50 EIAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cccn1C(C)C 328619351 FTUACBGDHOLCRC-CQSZACIVSA-N 331.485 4.026 0 50 EIAA Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1-c1ccc(F)c(Cl)c1 409413203 DUBIHEKOBAMMAW-UHFFFAOYSA-N 342.761 4.101 0 50 EIAA CO[C@H]1Cc2ccc(NCc3ncc(-c4ccc(F)cc4)o3)cc2C1 783892063 BVQCKXQBBQDOBK-SFHVURJKSA-N 338.382 4.206 0 50 EIAA O=C(OCCc1cccc(C(F)(F)F)c1)c1nccc2ncccc12 1875355899 FYXDFQDJJYLPHH-UHFFFAOYSA-N 346.308 4.048 0 50 EIAA O=C(O)c1cccc(C2CCN(C(=O)C[C@H]3CCC34CCC4)CC2)c1 2325879928 MMQJKBCQLKVUSJ-GOSISDBHSA-N 341.451 4.061 0 50 EIAA CN(Cc1ccccc1)c1ncnc2ccc(Br)cc12 122264 XJZIQNNJZWPUOX-UHFFFAOYSA-N 328.213 4.029 0 50 EIAA Cc1nc2ccccc2n1C[C@@H](O)COc1ccc([C@H]2C=CCC2)cc1 253572 PHVULJJAKOZNEN-PKOBYXMFSA-N 348.446 4.218 0 50 EIAA CCOc1ccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 364209 YBPZJMXRUBTMQV-UHFFFAOYSA-N 335.787 4.008 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc(C)c1C 437059 NOXUMIJWZYZPIL-UHFFFAOYSA-N 347.436 4.193 0 50 EIAA COc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 452413 AOIINRJNLUYCDA-UHFFFAOYSA-N 331.799 4.259 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1 454279 INJIQHBFFMCXPI-VIFPVBQESA-N 326.179 4.105 0 50 EIAA CCN(CC)c1ccc(NC(=O)COc2cccc(C)c2C)c(C)c1 557460 YQWNDKNMFZISDA-UHFFFAOYSA-N 340.467 4.476 0 50 EIAA O=C(NC(=S)NC1CCCCC1)c1ccc(-c2ccccc2)cc1 587250 GGSZEORHKOFQRL-UHFFFAOYSA-N 338.476 4.291 0 50 EIAA Cc1c(Cl)ccc(OCCOCCN2C[C@@H](C)C[C@H](C)C2)c1C 2822910 RVHUENQYIPNWJN-GJZGRUSLSA-N 339.907 4.330 0 50 EIAA CC(C)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 2862163 GZJADIFHWXTIIX-KRWDZBQOSA-N 340.448 4.252 0 50 EIAA CCOC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)Cc1ccccc1-2 4985506 QPOBKYQGPFBMLJ-NRFANRHFSA-N 335.447 4.175 0 50 EIAA O=c1ccc(-c2ccc(F)cc2)nn1Cc1cccc(C(F)(F)F)c1 5399494 IQSIRMOZQJUQRM-UHFFFAOYSA-N 348.299 4.117 0 50 EIAA C[C@H](O)c1nc2ccccc2n1CCOc1ccc2ccccc2c1 13566035 DKSXSWREQOBNOQ-HNNXBMFYSA-N 332.403 4.322 0 50 EIAA Cc1ccc(CN2CCOc3ccc([C@@H](O)C(C)C)cc3C2)cc1 14885259 BAZCVXXSDFWEAL-NRFANRHFSA-N 325.452 4.079 0 50 EIAA CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1OCC 16579896 CTQSDRUVFNTVPJ-UHFFFAOYSA-N 332.400 4.022 0 50 EIAA Cc1cccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C(C)C)c1 16651396 AEVSJVLPRIVMGS-UHFFFAOYSA-N 338.386 4.091 0 50 EIAA CC[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 27645264 XYDVGNAQQFWZEF-VXNZHGHESA-N 336.472 4.158 0 50 EIAA endogenous,in-man COCCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72463715 NWLJZDKONNQSMW-UHFFFAOYSA-N 342.826 4.207 0 50 EIAA CC(C)c1c(C(=O)N[C@H](C)CC2CC2)cnn1-c1ccc(F)cc1 112601233 MBHOTRSSRCYXKW-CYBMUJFWSA-N 329.419 4.053 0 50 EIAA C[C@@H](C(=O)Nc1c(-c2ccccc2)nc2ccccn12)C1CCOCC1 165054717 LQTQOFSMDNXNJE-OAHLLOKOSA-N 349.434 4.003 0 50 EIAA C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 229571350 GVLDSEQXKJISGZ-IJLUTSLNSA-N 329.271 4.298 0 50 EIAA COC(=O)c1cc(-c2cccs2)n([C@@H]2CCOC3(CCCC3)C2)n1 871963455 IGOCPEZCRJUCJW-CYBMUJFWSA-N 346.452 4.063 0 50 EIAA CC[C@H](Nc1cccnc1Cl)c1nc(CCC(F)(F)F)no1 874434715 BCPKRDGKWVSVNS-QMMMGPOBSA-N 334.729 4.176 0 50 EIAA COc1c(Cl)cccc1-c1noc(C[C@H](C)n2nc(C)cc2C)n1 904182235 ZYRSRAUDCDYXKM-LBPRGKRZSA-N 346.818 4.016 0 50 EIAA Cc1ccc(C)c([C@@H](C(=O)O)N2CCC(c3cccc(O)c3)CC2)c1 1506404399 HLHCXCUHEVKVHF-FQEVSTJZSA-N 339.435 4.014 0 50 EIAA CC(C)=CCC[C@@H](C)CC(=O)Nc1ccccc1[C@H]1CNC(=O)C1 2325800242 ZLHOLPACCCVWJK-HZPDHXFCSA-N 328.456 4.001 0 50 EIAA CN(C)CCCOc1cccc(-c2ocnc2Cc2ccccc2)c1 2356154137 JIZNJDCXEOMIEL-UHFFFAOYSA-N 336.435 4.263 0 50 EIAA CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1 51447 ZWGHHCPOBRCRKP-UHFFFAOYSA-N 347.490 4.144 0 50 EIAA Cc1ccc(S(=O)(=O)NC2c3ccccc3-c3ccccc32)cc1 197461 ATCWSWBSLYSQQA-UHFFFAOYSA-N 335.428 4.043 0 50 EIAA COC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1 211607 TZANIXUHRCNKAU-UHFFFAOYSA-N 336.347 4.156 0 50 EIAA Cc1ccccc1-n1c(S)nnc1-c1ccc(Br)cc1 276463 OZCRRIDTCFSFFO-UHFFFAOYSA-N 346.253 4.294 0 50 EIAA O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccco1 458033 XKLGHOWMOUEWHG-UHFFFAOYSA-N 346.795 4.499 0 50 EIAA C[C@H]1CN(C(=S)c2cccc(Oc3ccccc3)c2)C[C@H](C)O1 521792 LGGSQRDRCNFPEL-GJZGRUSLSA-N 327.449 4.264 0 50 EIAA O=C(OCc1ccc(Cl)cc1)c1cc(Br)ccc1O 1164360 JHVWVTVDJIAAKH-UHFFFAOYSA-N 341.588 4.165 0 50 EIAA COc1cc(CNCc2ccco2)ccc1OCc1ccc(C)cc1 4488581 NQXPZPIVRLKECI-UHFFFAOYSA-N 337.419 4.465 0 50 EIAA CCCCC/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\CCCC(=O)O 4655419 DCJBINATHQHPKO-ZZMPYBMWSA-N 338.488 4.382 0 50 EIAA endogenous,in-man O=C1CN(C(=O)c2sc3ccccc3c2Cl)c2ccccc2N1 4727429 CXBWSPAHSANJFY-UHFFFAOYSA-N 342.807 4.154 0 50 EIAA O=C(Nc1ccccc1C(=O)O)Nc1cccc(Cl)c1Cl 4776627 FYWIUIOERVHMLG-UHFFFAOYSA-N 325.151 4.336 0 50 EIAA CCCCC[C@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CCCC(=O)O 8860448 NNPWRKSGORGTIM-HCCKYKKOSA-N 336.472 4.158 0 50 EIAA endogenous,in-man CCc1ccc(CN2CCC[C@@](CO)(CCCc3ccccc3)C2)o1 11699304 PODUDJYNNQJWOA-QFIPXVFZSA-N 341.495 4.439 0 50 EIAA Cc1cccc(SC2CCN(Cc3nc(CC4CC4)no3)CC2)c1 12579325 SVMXBJCQOWHJDO-UHFFFAOYSA-N 343.496 4.087 0 50 EIAA Cc1ccccc1CN1CCN(Cc2cccc3ccccc23)CC1 19360238 YZDHAGZQOWYJRG-UHFFFAOYSA-N 330.475 4.466 0 50 EIAA COc1ccc(CN2CCC[C@@H](c3[nH]ncc3CC(C)C)C2)c(F)c1 20997495 ZKQVNEURHANVFR-MRXNPFEDSA-N 345.462 4.136 0 50 EIAA C[C@@H](CCc1ccc(O)cc1)NCc1ccccc1Br 23280228 GPCNSULUIGMSGF-ZDUSSCGKSA-N 334.257 4.266 0 50 EIAA COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 36620428 ZNFPPSJEAGWJQT-GOSISDBHSA-N 338.407 4.151 0 50 EIAA COc1cccc(-c2ccc(F)cn2)c1C(=O)N(C(C)C)C(C)C 96139121 NOIAEICEONLWLN-UHFFFAOYSA-N 330.403 4.155 0 50 EIAA CC(C)(C)C(=O)[Si](c1ccccc1)([Si](C)(C)C)[Si](C)(C)C 169838511 TZSFHFZXUMRCNV-UHFFFAOYSA-N 336.700 4.330 0 50 EIAA CCC(C)(C)C1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 170638176 KXLYYJSGANPOQI-YWWDTZIBSA-N 336.520 4.094 0 50 EIAA CCC(CC)n1nc(C(=O)N2CC[C@@H]2c2ccccc2F)cc1C 252536743 JKOUTNZKOMSEFV-GOSISDBHSA-N 329.419 4.279 0 50 EIAA COC[C@H]1CCCN(C(=O)Nc2cccc(-c3csc(C)n3)c2)C1 299779177 DISNRRBFMWYNEH-AWEZNQCLSA-N 345.468 4.009 0 50 EIAA CCC[C@H]1COCCN1C(=O)c1ccc(-c2ccc(C)nc2C)cc1 426678241 YDCLCFYYUSDGHE-IBGZPJMESA-N 338.451 4.007 0 50 EIAA CCC(CC)(CO)CN(C)C(=O)c1ccc(-c2ccccc2F)cc1 952991396 OUCUBUIMZCZWEG-UHFFFAOYSA-N 343.442 4.363 0 50 EIAA Cc1ccccc1[C@H]1CCCN1Cc1ccc(Br)nc1 1474357790 NDJVGGXONJXLGM-MRXNPFEDSA-N 331.257 4.490 0 50 EIAA Cc1nn(C(C)C)cc1C=C(Cl)c1nc(=O)c2cccc(C)c2[nH]1 1857531790 CVKGFHNYXXWZAA-UHFFFAOYSA-N 342.830 4.054 0 50 EIAA O[C@]1(Cc2ccccc2)CCN(c2ccnc3cc(Cl)ccc23)C1 1875262588 WUWGJWDGRRYJSP-FQEVSTJZSA-N 338.838 4.072 0 50 EIAA C[C@H](NC(=O)c1ccc(Nc2cccnc2)cc1)c1ccc(F)cc1 1875338650 FUFPFIGTRMCCPY-AWEZNQCLSA-N 335.382 4.455 0 50 EIAA Cc1nc2sc(C(=O)N(C)c3ccccc3)c(N)c2c(C)c1Cl 109087 MMBMEMPFSOYQDC-UHFFFAOYSA-N 345.855 4.425 0 50 EIAA O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1F 283298 JNQVHJMXYIENLM-VGOFMYFVSA-N 336.149 4.477 0 50 EIAA C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 375444 KYCATQZSRHNATO-NSHDSACASA-N 339.819 4.009 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1OC 2821324 LSZYWPOXEPSCIF-UHFFFAOYSA-N 340.423 4.005 0 50 EIAA CCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(O)cc12 3878397 RBCCOJWJVFMPOQ-UHFFFAOYSA-N 329.783 4.475 0 50 EIAA COc1cc(C)ccc1OCCOCCOc1cc(C)ccc1C 4701800 WCBOGNWFTCPRLB-UHFFFAOYSA-N 330.424 4.095 0 50 EIAA CCCSc1nc2ccccc2c(=O)n1[C@@H]1CCOC(C)(C)C1 4838114 BUGAKGBHTFSXRR-CYBMUJFWSA-N 332.469 4.029 0 50 EIAA COC(=O)c1sccc1Oc1ccc(NC(=O)CC(C)C)cc1 8887752 NUZIHTVOYUPTFH-UHFFFAOYSA-N 333.409 4.312 0 50 EIAA Cc1ccc(CN[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)o1 12387522 PRAAICMOANKBPN-INIZCTEOSA-N 327.472 4.479 0 50 EIAA CCCc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)OCO3)cc1 17066765 LGTAEPHTRKQCHR-ZDUSSCGKSA-N 326.396 4.251 0 50 EIAA C[C@H]1CCC[C@H](C)N1C(=S)Nc1ccc(Br)cc1 17066940 WAROPAWZKNHESM-QWRGUYRKSA-N 327.291 4.409 0 50 EIAA OCCCn1ccc(-c2cccc(-c3ccc(C(F)(F)F)cn3)c2)n1 23429716 XNKIGEQGNATIER-UHFFFAOYSA-N 347.340 4.013 0 50 EIAA FC(F)(F)c1ccc(Cl)c(-c2nn3c(C4CC4)nnc3s2)c1 32092320 LSCFHBXHDISQAH-UHFFFAOYSA-N 344.749 4.402 0 50 EIAA CC(=O)c1ccc(N2CCN(Cc3c(C)[nH]c4ccccc34)CC2)cc1 55031447 IMGLWQZADRMTIG-UHFFFAOYSA-N 347.462 4.001 0 50 EIAA Cc1cc(Cl)ccc1C(=O)N(Cc1c(C)nn(C)c1C)C(C)C 55119763 KMHOZJWCNURSSU-UHFFFAOYSA-N 333.863 4.050 0 50 EIAA COc1ccc(F)c(-c2nc(Cn3ccnc3C(C)C)c(C)o2)c1 67833452 WWMYZNHARGNALK-UHFFFAOYSA-N 329.375 4.166 0 50 EIAA CC[C@H](C)C(=O)N1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67965349 REXZSFSNHRIKDE-LBPRGKRZSA-N 345.464 4.196 0 50 EIAA C[C@H]1[C@H]2C=C[C@@H](C2=C2CCCC2)[C@H]1C(=O)N(C=O)Cc1ccccc1 103216838 MIWDHVWXSSWBNK-OBZTUIKSSA-N 335.447 4.110 0 50 EIAA O=C(N[C@H](c1ccccc1)c1nccs1)C1CCC(F)(F)CC1 129740554 JLCFNZCUPMYEHX-CQSZACIVSA-N 336.407 4.174 0 50 EIAA Cc1nsc(NC(=O)Cc2ccc(Br)cc2)c1Cl 170598536 KUJHZKAJAHLRTD-UHFFFAOYSA-N 345.649 4.049 0 50 EIAA Cc1nnc([C@H](C)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 190360664 SWVUHQBAEVOQNS-ZJUUUORDSA-N 344.242 4.145 0 50 EIAA Oc1cn(-c2ccc(Br)cc2)nc1-c1ccc(F)cc1 215850850 OMDUTAARRVPMSP-UHFFFAOYSA-N 333.160 4.147 0 50 EIAA Cc1oc2ccc(NC(=O)N3CC[C@]4(CCCOC4)C3)cc2c1C 375486854 ONASKUWGECVZLH-LJQANCHMSA-N 328.412 4.084 0 50 EIAA C[C@@H](NC[C@@H](CCO)c1ccccc1)c1cc(-c2ccccc2)no1 863982494 PDQUMURNBHKMTF-VQIMIIECSA-N 336.435 4.158 0 50 EIAA COc1cc(-c2onc(NC3CCCCCC3)c2C(=O)O)ccc1F 1704309457 RWSUWRVJBUBXQA-UHFFFAOYSA-N 348.374 4.322 0 50 EIAA CC[C@H](C)Cc1nc(-c2ccnn2C(C)C)n(-c2cccc(C)n2)n1 2100554861 DJQONHLKMYYWRK-AWEZNQCLSA-N 338.459 4.004 0 50 EIAA CC(=O)N(c1nnc(SCCc2cc(C)cc(C)c2)s1)C1CC1 2325809859 VQXIXXKUWICXDA-UHFFFAOYSA-N 347.509 4.005 0 50 EIAA C=CC(=O)N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 2325884336 LWOBTEVUSINOLX-UHFFFAOYSA-N 340.370 4.207 0 50 EIAA CCOc1ccc(/C=C/C(=O)Nc2cc(C)ccc2OC)cc1OC 145195 PNDBABPDQUHYGM-DHZHZOJOSA-N 341.407 4.063 0 50 EIAA O=S(=O)(Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1 186078 FUGYLNQMOSTUIS-UHFFFAOYSA-N 335.734 4.160 0 50 EIAA CCOC(=O)c1c(NC(=O)CC)sc2c1CC[C@@H](C(C)(C)C)C2 191644 IOZUMAJBMICSCI-LLVKDONJSA-N 337.485 4.424 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(C)ccn2)cc1 257001 HWFDFXUWFXLMAZ-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA COc1ccc(OC)c([C@H]2CC(=O)Nc3c2ccc2ccccc32)c1 310991 KKNOZNJXFYPFAD-KRWDZBQOSA-N 333.387 4.331 0 50 EIAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(Cl)cc1Cl 456719 NUQOJQHVYQHSEQ-UHFFFAOYSA-N 339.247 4.049 0 50 EIAA O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccccc12 2829834 OYHXBMMYGNHLIE-UHFFFAOYSA-N 328.371 4.425 0 50 EIAA COc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(C)cc1 2857525 AXQZTRFJDKEJEE-UHFFFAOYSA-N 341.476 4.354 0 50 EIAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)cc1)CC(=O)N2 4488939 HBVFYMWGFQQJMX-CQSZACIVSA-N 329.371 4.097 0 50 EIAA O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 4844822 FODAYZOULDVYKJ-VHSXEESVSA-N 348.613 4.165 0 50 EIAA Cn1c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O 4852947 MRARROHJVGVSTJ-VQHVLOKHSA-N 331.202 4.411 0 50 EIAA CC1(C)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@]1(C)C(=O)O 4990525 VCVVCJOWADKOTC-MGPLVRAMSA-N 344.238 4.459 0 50 EIAA CC(C)[C@@H](O)c1ccc2c(c1)CN(Cc1c(F)cccc1F)CCO2 11783001 ALSBFLQVGIJGNP-HXUWFJFHSA-N 347.405 4.049 0 50 EIAA O[C@H](CNC1CCCCC1)COc1ccccc1-c1ccccc1 12420036 UNLDFROGRAIZON-LJQANCHMSA-N 325.452 4.016 0 50 EIAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCCC1 16604910 PLKOWMSNRSUNQH-UHFFFAOYSA-N 336.794 4.459 0 50 EIAA COc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1F 25756524 JXYXSFBGEFAQFX-UHFFFAOYSA-N 344.386 4.071 0 50 EIAA COc1ccc(CN2CC[C@@H](c3ccccc3Cl)C2)cc1C(=O)O 67966974 XAINJXWWNRNNIK-CQSZACIVSA-N 345.826 4.036 0 50 EIAA FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3c[nH]cn3)C2)c1 71405839 VRMCLMTWLFQGGD-HNNXBMFYSA-N 337.389 4.273 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1ccc2[nH]ncc2c1 96166013 DSFNWTBEKOVMIU-GOSISDBHSA-N 337.427 4.353 0 50 EIAA CSc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 101015798 JPOVPKVLXDJPTF-AWEZNQCLSA-N 348.265 4.449 0 50 EIAA COC(=O)c1cc(CN2CCC[C@H]2c2ccc(C)c(C)c2)oc1C 170593953 MYCAEKZZFUQCHT-IBGZPJMESA-N 327.424 4.329 0 50 EIAA CC(C)Cn1ncc(C(=O)N2CC[C@H]2c2ccccc2F)c1C1CC1 252537659 LYYCXNJEHDPUOV-SFHVURJKSA-N 341.430 4.143 0 50 EIAA Cc1cc2cc(CN3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)oc2cc1C 263464575 CKIPSYKSFMODJM-WBAXXEDZSA-N 327.424 4.267 0 50 EIAA Cc1ccc2sc(C(=O)N3CCCC[C@@H]3c3ncc[nH]3)cc2c1 290412679 MQPLEPHHSMSOQX-CQSZACIVSA-N 325.437 4.300 0 50 EIAA CCS[C@@H](C)c1noc(Cc2nc(-c3ccccc3)oc2C)n1 408514080 KUTNQHYIVHCQKX-LBPRGKRZSA-N 329.425 4.438 0 50 EIAA CSc1cnc(Oc2ccc(-n3ncc4ccccc43)cc2)nc1 804609524 GALRUASHRRPFRW-UHFFFAOYSA-N 334.404 4.330 0 50 EIAA Fc1ccccc1CN1CCC[C@@H](NCc2cccc3cc[nH]c23)C1 952972152 WJOLDFUTJOCQJH-LJQANCHMSA-N 337.442 4.061 0 50 EIAA Cc1ccc([C@H](C)CCN2CCC(Cc3ccc(O)nc3)CC2)o1 1772806867 LJTNORSVRGEKJG-OAHLLOKOSA-N 328.456 4.137 0 50 EIAA Fc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1 315189 WBORCKNPOCEOOU-UHFFFAOYSA-N 339.233 4.075 0 50 EIAA Cc1cc(O[C@H](C)C(=O)N2CCCc3ccccc32)ccc1Cl 371532 ITZYZMWYWBQTEI-CQSZACIVSA-N 329.827 4.395 0 50 EIAA CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccnc1 526932 AKBCFFRDLYCFRG-UHFFFAOYSA-N 330.844 4.306 0 50 EIAA CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2 1196630 XNNGNUAXDMGQCX-UHFFFAOYSA-N 328.437 4.228 0 50 EIAA CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)C2=O 2212605 APSDNHILMKVJBP-JOCHJYFZSA-N 333.431 4.267 0 50 EIAA CC[C@H](C)c1ccccc1OCCOc1ccc(C=O)cc1OC 2866711 PMJBQRCGZLEKGV-HNNXBMFYSA-N 328.408 4.479 0 50 EIAA COc1cc(OC)c(NC(=O)c2ccc(Cl)cc2)cc1Cl 4542536 WWGLQQJIPFVLOC-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(C)cc1 4843324 TVYLWFCMFLGRHY-UHFFFAOYSA-N 336.395 4.099 0 50 EIAA CCOC(=O)C1CCN(CCCCOc2cccc(C(C)C)c2)CC1 6728861 CTVGISVKHAFGNL-UHFFFAOYSA-N 347.499 4.244 0 50 EIAA CC(C)Oc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 9230526 NCRXGZVKOJFWJK-UHFFFAOYSA-N 340.423 4.321 0 50 EIAA COCC[C@H]1CCCCN1Cc1nc(-c2cccc(C)c2)oc1C 11718877 FYERAAVSWLGYKM-GOSISDBHSA-N 328.456 4.349 0 50 EIAA Cc1cccc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c1C 13961096 CIGJSVDINBMCKX-INIZCTEOSA-N 346.789 4.228 0 50 EIAA FC(F)(F)c1ccccc1-n1nc(C2CC2)nc1Cc1cccnc1 65508567 SQAFXQZSJXLAGD-UHFFFAOYSA-N 344.340 4.149 0 50 EIAA COCCC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2C)C1 95354154 FNAAWIQDBRMKPO-CQSZACIVSA-N 343.389 4.293 0 50 EIAA c1ccc2nc(N3CCC[C@H](c4nccn4CC4CCC4)C3)cnc2c1 95374411 FSSONLDXXUZXIG-KRWDZBQOSA-N 347.466 4.010 0 50 EIAA Cc1nccn1CCN(C)C[C@H]1CC1(c1ccccc1)c1ccccc1 97604269 FSHQETYHOUTJFD-JOCHJYFZSA-N 345.490 4.130 0 50 EIAA Cc1nc(C2CCN(Cc3ccc(C4CCCC4)s3)CC2)no1 97758018 MQIAGAZEWOOAES-UHFFFAOYSA-N 331.485 4.477 0 50 EIAA Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)O)c1 140575160 NHCZFSYLMZBTSA-UHFFFAOYSA-N 346.749 4.014 0 50 EIAA Cc1ccc(-c2ccncc2)cc1NC(=O)CC1(C(=O)O)CCCC1 169974918 NROLCOMMMPQJAG-UHFFFAOYSA-N 338.407 4.031 0 50 EIAA CCCN(CCc1ccccn1)C(=O)[C@H](C)c1cc2ccccc2o1 176211263 CYQOQTXRIWOLLW-MRXNPFEDSA-N 336.435 4.413 0 50 EIAA O=C(CC1CCCC1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 183992752 RSUOPJYBLGDDKJ-MRXNPFEDSA-N 341.373 4.186 0 50 EIAA CC(C)c1c(NCc2cncnc2)cnn1-c1ccccc1Cl 191729982 CWEGFLIGXOXWBU-UHFFFAOYSA-N 327.819 4.051 0 50 EIAA COCCc1ccccc1NC(=O)[C@H](C)Cc1cncc2ccccc12 240278349 DQNUTVKYRSCAHC-MRXNPFEDSA-N 348.446 4.241 0 50 EIAA CCc1nc2c(s1)[C@@H](N(C)C(=O)c1oc(C3CC3)nc1C)CCC2 241926447 UGGRNYWEEANOHN-ZDUSSCGKSA-N 345.468 4.029 0 50 EIAA CN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@@H](c1ccc(Cl)cc1)c1ccccn1 252510987 CRXUURQUNIJLLP-ISARSNTHSA-N 340.854 4.329 0 50 EIAA CCCC(=O)Nc1ccc(CN[C@H](C)c2cnn(C(C)C)c2C)cc1 252537322 KYIOBDQAFYWDKU-OAHLLOKOSA-N 342.487 4.362 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c(C)n1 253416493 HXHDYTGNNBNFJK-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA CN(Cc1ccccc1NC(=O)NCc1cccnc1)c1ccccc1 408515058 AZDYKGGKXOIBTL-UHFFFAOYSA-N 346.434 4.040 0 50 EIAA CCOc1ncccc1NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 432656548 IOKALADYTXWQEK-KRWDZBQOSA-N 337.423 4.239 0 50 EIAA CCCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(C)C)on2)c1 822752147 QYVLJOHRHLHCJF-UHFFFAOYSA-N 329.400 4.097 0 50 EIAA Cc1cc(=O)nc(-c2ccc(-c3cc(Cl)c(O)cc3C)cc2)[nH]1 1772711080 VZKWNNPWGLNPFD-UHFFFAOYSA-N 326.783 4.080 0 50 EIAA Cc1cc(SCc2cccc(N(C)C)c2)nc(-c2ccccn2)n1 1875287900 FMWWBDAOARKILR-UHFFFAOYSA-N 336.464 4.205 0 50 EIAA CC(C)[C@H]1CCCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875330378 PKOCWAPBSQLXAK-ZDUSSCGKSA-N 340.389 4.486 0 50 EIAA Cc1cc(C)n(-c2ccc(-c3ccc4[nH]cc(CC(=O)O)c4c3)cc2)n1 1875357282 ZOSSNYCLEKFPKH-UHFFFAOYSA-N 345.402 4.265 0 50 EIAA Cc1ncsc1-c1ccc(COC(=O)c2ccn3cncc3c2)cc1 2325855430 ZLQFURGDLNYVFT-UHFFFAOYSA-N 349.415 4.123 0 50 EIAA COc1cc([C@H]2CC[C@H](OC(=O)c3ccncc3C)C2)cc(F)c1F 2325855472 BXGQHNRIGREQDS-JSGCOSHPSA-N 347.361 4.170 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cccc2ncsc12 2356145409 AVINPPWXQLHQON-UHFFFAOYSA-N 349.415 4.224 0 50 EIAA Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1ncccn1 85337 DQNPERVIOXSNSZ-AWEZNQCLSA-N 341.480 4.196 0 50 EIAA COc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1Cl 128501 CPPLAJYVWHGLLY-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Clc1cccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1 279939 PAQSNDPTZXBCIT-UHFFFAOYSA-N 330.903 4.287 0 50 EIAA COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1Cl 310248 OKKKNSFJLFEUTG-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCOc1cc(C(=O)NC2CCCCCC2)cc(OCC)c1OCC 484058 PHELEHOSHASNQR-UHFFFAOYSA-N 349.471 4.335 0 50 EIAA CCOc1ccc(-n2c(C)c(C(=O)OC)c3cc(OC)ccc32)cc1 498490 RSAWCIWJOQEEEY-UHFFFAOYSA-N 339.391 4.133 0 50 EIAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCC(C)CC3)c2c1 1460395 UTVPJEIQMWGGIO-UHFFFAOYSA-N 345.446 4.477 0 50 EIAA CCOc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 2738607 HLPBXLNICAQXQZ-UHFFFAOYSA-N 331.240 4.033 0 50 EIAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc2ccccc2o1 6702990 OZWYARHJGVWJCL-UHFFFAOYSA-N 348.402 4.311 0 50 EIAA CC(C)c1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1 16580420 RHVZLMSQZTVXEP-AWEZNQCLSA-N 325.408 4.072 0 50 EIAA c1cnc(N2CCCCCCC2)c(CNCc2nc3ccccc3[nH]2)c1 19148798 ADHSMYGDTOUQHR-UHFFFAOYSA-N 349.482 4.018 0 50 EIAA COc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 35360466 OCCRAOGGTJCSKO-AYOQOUSVSA-N 339.391 4.028 0 50 EIAA CCC(CC)n1ncc(C)c1NC(=O)[C@H](C)n1ccnc1C(C)C 65432324 SPRNWAGJECDKAX-AWEZNQCLSA-N 331.464 4.072 0 50 EIAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 71769306 NQZFKXMHNXEUGI-MRXNPFEDSA-N 333.353 4.410 0 50 EIAA Cc1cc2cccc(C(=O)N3CCCC[C@@H]3CCn3cccn3)c2o1 82138796 YPGJESHESGCEOP-QGZVFWFLSA-N 337.423 4.023 0 50 EIAA CCCCOc1cc(F)ccc1-c1ncccc1C(=O)N1CCCC1 97785326 VUSDHEJGGFQCGE-UHFFFAOYSA-N 342.414 4.303 0 50 EIAA c1ccc(COc2ccc(-c3noc([C@@H]4CCCOC4)n3)cc2)cc1 113718187 YADKMUHPZREUMG-QGZVFWFLSA-N 336.391 4.210 0 50 EIAA Cc1nc(-c2cccc(NC(=O)N3CC[C@H](c4ccccc4)C3)c2)no1 120883335 CDRDOLIXTRNDEX-KRWDZBQOSA-N 348.406 4.066 0 50 EIAA Cn1ccnc1C[C@H]1CCCN(Cc2csc3ccccc23)C1 131401022 OMPZNDAWRFXOFJ-OAHLLOKOSA-N 325.481 4.090 0 50 EIAA Cc1ccccc1[C@@H](O)CSc1nnc2sc3ccccc3n12 170003025 FBJQMBXFPHKFKC-AWEZNQCLSA-N 341.461 4.078 0 50 EIAA CC[C@H](CC(F)(F)F)NC(=O)c1cc(C(C)C)nc2onc(C)c12 170595309 GWUKTADAPDXAMN-SNVBAGLBSA-N 343.349 4.115 0 50 EIAA C[C@@H](c1cc(Cl)ccc1Cl)N1CCC(NC(=O)C2CC2)CC1 178593354 BFNOBEGNAYHYPA-NSHDSACASA-N 341.282 4.045 0 50 EIAA Cc1ccc([C@@H]2Cn3nc(C(=O)Nc4ccccc4C)cc3CO2)cc1 263619238 XPTMUMXXINXWOA-FQEVSTJZSA-N 347.418 4.024 0 50 EIAA CCc1c(NC(=O)c2conc2C(F)(F)F)cnn1C(CC)CC 834360425 TVNYYRKGFLJACF-UHFFFAOYSA-N 344.337 4.066 0 50 EIAA C[C@@H](NC(=O)N[C@H](c1ccncc1)C1CC1)c1cc2ccccc2o1 894342770 XNUGSZWVILXUKG-YJYMSZOUSA-N 335.407 4.339 0 50 EIAA COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 205880 KFSBQJHFBFQSQT-IRXDYDNUSA-N 340.814 4.086 0 50 EIAA O=C1N[C@H](Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1 404184 XVHANMSUSBZRCX-HXUWFJFHSA-N 329.399 4.281 0 50 EIAA CN(C)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 608554 HYRGELCZDSYXHJ-UHFFFAOYSA-N 338.432 4.189 0 50 EIAA CCn1nc(NC(=O)c2cccs2)c2cc3ccc(C)cc3nc21 1292410 OVEZCWCROVHAEV-UHFFFAOYSA-N 336.420 4.227 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1 3105462 AVPWAJWIJXDMMU-UHFFFAOYSA-N 344.414 4.177 0 50 EIAA Ic1cc2ccc1CCc1ccc(cc1)CC2 3122315 NOVGGOBCDUEVSG-UHFFFAOYSA-N 334.200 4.175 0 50 EIAA O=C(CSc1nc2ccccc2o1)NC12CC3CC(CC(C3)C1)C2 4520127 BOSIUVOJRWNQCG-UHFFFAOYSA-N 342.464 4.005 0 50 EIAA COc1cccc(NC(=O)Nc2nnc(CC3=CCCCC3)s2)c1 4614004 POPKSBVORORSMO-UHFFFAOYSA-N 344.440 4.234 0 50 EIAA CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 4866668 CKLKLFNGNVYLKB-UHFFFAOYSA-N 330.815 4.121 0 50 EIAA O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Cl)cc1 10296575 TXVIFRSUYCUAQQ-KRWDZBQOSA-N 331.799 4.150 0 50 EIAA CCCCc1nc2cc(C(=O)NCc3nc4ccccc4o3)ccc2o1 12612526 BAEJCCBPQFQYLW-UHFFFAOYSA-N 349.390 4.242 0 50 EIAA CCOc1ccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)cc1 13483416 RJOUAEBGYXEXLO-UHFFFAOYSA-N 338.436 4.284 0 50 EIAA Cc1cnc(C)c(-c2cccc(-c3ccn(C[C@H]4CCCCO4)n3)c2)n1 23432010 ARRBBBRUIJFUAT-LJQANCHMSA-N 348.450 4.193 0 50 EIAA CCCC[C@H]1C(=O)CC[C@@H]2[C@H](C/C=C\CCCC(=O)O)C(=O)C[C@@H]21 64857922 CGCZPIJMGKLVTQ-IDHOSRKCSA-N 334.456 4.178 0 50 EIAA in-vitro CC(C)(O)CCc1ccc(CN2CCC(c3ccncc3)CC2)cc1 72435777 WVMVKRKRMBEVFA-UHFFFAOYSA-N 338.495 4.165 0 50 EIAA FC(F)Oc1ccc(CN2CCCC[C@@H]2CCN2CCCC2)cc1 77341358 YZKVDMZQMYQGFY-QGZVFWFLSA-N 338.442 4.128 0 50 EIAA O[C@@H]1CCC[C@@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 230208371 RTUWWBKEHHZFEW-JLZZUVOBSA-N 338.289 4.041 0 50 EIAA CC(C)c1ccc(-c2nc(CN3C[C@H](CN)C[C@@H]3C)cs2)cc1 442768440 OFJUTFQIISWESL-GJZGRUSLSA-N 329.513 4.103 0 50 EIAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccccc1C(C)(F)F 455786971 JYUUUSTXVXWSEH-BZNIZROVSA-N 332.350 4.442 0 50 EIAA CC[C@@H](NC(=O)N(CC)Cc1ccc(SC)cc1)c1cccnc1 534669730 LKPKQOGOUAEEOB-GOSISDBHSA-N 343.496 4.486 0 50 EIAA O=C(c1cnc(Cc2ccc(F)cc2)s1)N1CCCCCCC1 727063235 NXZAHGWUDHGGJS-UHFFFAOYSA-N 332.444 4.279 0 50 EIAA Fc1c(Cl)cccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 1529158448 CYVYULFTISKYGJ-INIZCTEOSA-N 334.822 4.055 0 50 EIAA CC(C)(C)n1nc(C2CC2)cc1NC(=O)c1cnc2c(c1)CCCC2 1875328721 JNJKTHNPECMVMT-UHFFFAOYSA-N 338.455 4.042 0 50 EIAA N[C@H]1CCCc2cc(-c3nc(-c4coc5ccccc45)no3)ccc21 2325822003 VLFFDXRDEQAFBX-KRWDZBQOSA-N 331.375 4.486 0 50 EIAA C[C@@H](NC(=O)c1cncn1-c1ccccc1)[C@H]1CCCc2ccccc21 2325854983 BZPNQEIPMWLLRY-VQIMIIECSA-N 345.446 4.111 0 50 EIAA COc1cc([C@@H]2CC[C@@H](OC(=O)c3ccncc3C)C2)cc(F)c1F 2325855474 BXGQHNRIGREQDS-TZMCWYRMSA-N 347.361 4.170 0 50 EIAA Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1 37973 JOTTXUCZUKQQQI-UHFFFAOYSA-N 338.432 4.444 0 50 EIAA O=C(O)c1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 151334 ACEMPVAXIUJIPF-UHFFFAOYSA-N 333.269 4.090 0 50 EIAA CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 288810 XTGHECOZHKZAMJ-UHFFFAOYSA-N 343.404 4.053 0 50 EIAA Clc1cccc(Cl)c1CSc1nnnn1-c1ccccc1 468485 HERWPFWLDQWYDL-UHFFFAOYSA-N 337.235 4.261 0 50 EIAA COc1cc(OC)c(NC(=O)CSc2ccccc2)cc1Cl 471890 HAXFMAHVRZGCNZ-UHFFFAOYSA-N 337.828 4.088 0 50 EIAA O=C(CCC1CCCC1)Nc1cccc(I)c1 618151 JESBMRVILVYRTO-UHFFFAOYSA-N 343.208 4.200 0 50 EIAA CC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2857893 XVTBNHWAGDUCBL-UHFFFAOYSA-N 338.285 4.432 0 50 EIAA CCOc1ccccc1OCCOCCOc1cccc(C)c1C 2991348 SCIFIWVISRLNEJ-UHFFFAOYSA-N 330.424 4.177 0 50 EIAA Fc1cccc(NC(=S)Nc2ccc(Br)cc2)c1 8682535 XJVIOEANHWJIII-UHFFFAOYSA-N 325.206 4.397 0 50 EIAA O=C(NCc1cccnc1)Nc1ccc(Cl)cc1C(F)(F)F 13227830 GVAWRUIKTJJLDX-UHFFFAOYSA-N 329.709 4.076 0 50 EIAA CCCC[C@@H](CC)c1nnc(NC(=O)c2c(CC)noc2C)s1 13330707 HBAQKGGOBCBQDL-LLVKDONJSA-N 336.461 4.333 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)N[C@H](C)[C@H]3CCCO3)sc2c1 16603886 CISRYJMKUALXNK-ZWNOBZJWSA-N 337.872 4.414 0 50 EIAA CCCC[C@@H](CC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20582173 UNSIDJBKRBHJGF-RGFVMQALSA-N 328.500 4.060 0 50 EIAA CC[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1 36563205 HPQBCMJFIZDZEK-WOJBJXKFSA-N 339.435 4.126 0 50 EIAA Cc1cc(NCc2cccnc2)n2nc(-c3ccccc3)c(C)c2n1 40216636 IJCCYEUAXUCWIB-UHFFFAOYSA-N 329.407 4.020 0 50 EIAA CC(C)=CCC/C(C)=C/CN1CCC[C@@H](c2cc(O)nc(C)n2)C1 72142935 XOSGBUQDCWJRQN-GANRHZMWSA-N 329.488 4.363 0 50 EIAA Cc1nc(CC(=O)N[C@@H](c2cccs2)c2ccccc2C)cs1 72469281 APDXTQACPKZDGL-GOSISDBHSA-N 342.489 4.270 0 50 EIAA CN(Cc1cccc2ncccc12)C(=O)c1ccc(N2CCCC2)cc1 77565592 WVGIOJODPLNMRY-UHFFFAOYSA-N 345.446 4.107 0 50 EIAA CCSc1ccc(NC(=O)N(C)[C@@H](COC)c2ccccn2)cc1 96141891 ACTRGEKQJQXWIO-KRWDZBQOSA-N 345.468 4.045 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCO[C@H](c2ccsc2)C1 133372292 PHOARYGXQWONMG-AWEZNQCLSA-N 336.844 4.315 0 50 EIAA O=C(CCc1cccs1)Nc1ccc(Cl)cc1-n1cccn1 170607450 ZIZKMNOGJASGIQ-UHFFFAOYSA-N 331.828 4.159 0 50 EIAA CCC(CC)N(C(=O)c1oc(C)nc1C)[C@@H]1CCCc2cccnc21 253396618 SZUGUZLAKITVKS-QGZVFWFLSA-N 341.455 4.395 0 50 EIAA CSc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 253429481 DLOLZGSHHGASEB-CZUORRHYSA-N 344.484 4.129 0 50 EIAA O=C(Cc1cccs1)N1CCCC[C@@H]1CCc1cccc(O)c1 952977095 OLKONVDHRLGIDH-MRXNPFEDSA-N 329.465 4.010 0 50 EIAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)C2(c3ccccc3)CC2)c1 952989014 BNBQIBMEWFVQNJ-OAQYLSRUSA-N 349.474 4.234 0 50 EIAA C[C@@H](NC(=O)c1cc2ncccc2s1)c1cccc(OC(F)F)c1 1875324916 NYGTWSCIJNECLH-SNVBAGLBSA-N 348.374 4.389 0 50 EIAA CC(C)(C(=O)NCc1ccccc1-c1cccnc1)c1ccccc1 2325823375 QEIOYPPLYCGLTL-UHFFFAOYSA-N 330.431 4.343 0 50 EIAA Cc1cc(C)c2c(c1)CC[C@@H]2NC(=O)c1cnn(C)c1-c1ccccc1 2325840651 KEWVSRYJMHCFCN-IBGZPJMESA-N 345.446 4.121 0 50 EIAA COc1ccc(-c2ccc(CN3CCC[C@H](OC)C3)s2)cc1F 2356136662 DINTTWSDQCRYHI-AWEZNQCLSA-N 335.444 4.174 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 65329 OUYWANSYAWDBTC-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA Cc1cc2nnc(SCc3ccc4c(c3)OCO4)n2c2ccccc12 87849 KIIFPNHSRBWUMQ-UHFFFAOYSA-N 349.415 4.212 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2 127331 UEHVHOOXJVUUQX-UHFFFAOYSA-N 343.448 4.364 0 50 EIAA Cc1ccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)cc1 218448 GOCHNBHUIILYGT-UHFFFAOYSA-N 344.370 4.170 0 50 EIAA COC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1Cl 287664 IGPVZSFGSXVOJG-UHFFFAOYSA-N 339.178 4.424 0 50 EIAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(C)cc2)c1 456705 YKTDCUHUEMXWTM-CYBMUJFWSA-N 342.464 4.341 0 50 EIAA Cc1ccc(C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 501636 SLUDGBPACFUAIB-UHFFFAOYSA-N 342.778 4.325 0 50 EIAA 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19636117 MMDSNOSYGNMGNB-CDDKBXLESA-N 334.507 4.339 0 50 EIAA COCCN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C 20909710 PSSIZBCQXBPURG-UHFFFAOYSA-N 336.435 4.395 0 50 EIAA CC[C@@H](C)N(Cc1cccnc1)Cc1ccc(OC)c(O)c1Cl 55053598 DLYQQAYBRCCWCP-CYBMUJFWSA-N 334.847 4.250 0 50 EIAA CN(Cc1cccc(C(F)(F)F)c1)Cc1nc(-c2ccccc2)no1 55054399 MASCOBICGCUTFQ-UHFFFAOYSA-N 347.340 4.387 0 50 EIAA CC[C@H](NC1CCN(C(=O)c2ccccc2)CC1)c1cccs1 65370988 KAVKHUFRTLZNSY-KRWDZBQOSA-N 328.481 4.094 0 50 EIAA Cc1nc(C)c(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)o1 174158632 RPTDZKLNXLNWSL-UHFFFAOYSA-N 337.423 4.101 0 50 EIAA O=C(Nc1cccc(CN[C@H]2CCCc3occc32)c1)c1ccncc1 192709936 XTHZBDOJETZSML-IBGZPJMESA-N 347.418 4.094 0 50 EIAA CC1(C)[C@H]2CC[C@]1(C)C1=C2[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 216494953 VSHZRTNKMMJCAE-UCKWFOPISA-N 347.458 4.195 0 50 EIAA Cc1nc(C(=O)NCc2ccncc2)c(-c2ccccc2Cl)s1 252488066 IIPXAXXQIQHZRM-UHFFFAOYSA-N 343.839 4.097 0 50 EIAA CSc1ccc(O[C@H](C)C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1 252516735 WGGFEESJCVWXHD-NFXQELDMSA-N 345.508 4.117 0 50 EIAA CCSCc1ccccc1C(=O)Nc1cccc2c1OCC[C@@H]2O 253429640 UIWASXLFUPQDAC-KRWDZBQOSA-N 343.448 4.008 0 50 EIAA CSc1cccc(C)c1NC(=O)N[C@H]1CCCC12CCOCC2 374375623 SLNOCUMFHNDKLX-HNNXBMFYSA-N 334.485 4.188 0 50 EIAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c2c(O)cccc21 1447356706 DSZORXKEUBBECI-JOTOCRJQSA-N 325.383 4.117 0 50 EIAA O=C(O)c1ccc([C@@H]2CCCN2Cc2nc(C3CC3)cs2)s1 2325790555 UWOFIRCYDUQGEJ-LBPRGKRZSA-N 334.466 4.117 0 50 EIAA O=C(Cc1c(Cl)cc(O)cc1Cl)NC1(C2CCCC2)CC1 2325865012 JEHRBZDQLJGLFM-UHFFFAOYSA-N 328.239 4.081 0 50 EIAA S=C1NC(c2ccccc2)=C[C@H](c2ccc(Br)cc2)N1 85826 KQCZHXHDFFWTQL-OAHLLOKOSA-N 345.265 4.009 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1Br 118003 BKGZVVBSHHXMDO-CSKARUKUSA-N 346.224 4.418 0 50 EIAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccn1 1794269 NMNPHYYWUQYMJO-UHFFFAOYSA-N 325.195 4.186 0 50 EIAA O=C(CCNc1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 2522088 QPILMQWJZQULLC-UHFFFAOYSA-N 333.387 4.296 0 50 EIAA Cc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)c(C(C)(C)C)c1 4834145 ZYRFTJQXJSIMEL-SFHVURJKSA-N 333.516 4.297 0 50 EIAA O=C1C[C@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)OCO3 4866333 QEHOYJBMHNOLTA-SNVBAGLBSA-N 336.174 4.196 0 50 EIAA Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2ncccc12 8788338 CUQUKVUIRSCIFY-UHFFFAOYSA-N 337.326 4.150 0 50 EIAA C[C@H](Cc1cccs1)NC(=O)c1csc(Cc2ccccc2)n1 25300534 GIUJSSMJCVMNGT-CYBMUJFWSA-N 342.489 4.156 0 50 EIAA COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@@H]32)cc1 35360487 NCAZXJBAFALTTE-JLSDUUJJSA-N 343.810 4.371 0 50 EIAA CCOc1ccccc1OCCN(C)C(=O)c1csc(C)c1CC 55196206 KRANLVHIGGZPNE-UHFFFAOYSA-N 347.480 4.169 0 50 EIAA O[C@@H](Cc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccco1 65406549 WLBHOJMIUZDLFY-IBGZPJMESA-N 344.414 4.414 0 50 EIAA FC(F)(F)[C@H](OCc1nc(Cc2ccccc2)n[nH]1)c1ccccc1 65508819 DMNKYBTYGPXAQH-QGZVFWFLSA-N 347.340 4.216 0 50 EIAA CC(C)n1cnc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 71773599 REKSFCCYDQMSIN-UHFFFAOYSA-N 335.333 4.038 0 50 EIAA Cc1nc(CCn2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)no1 77286208 OQMCHKHLBUPNNX-UHFFFAOYSA-N 342.402 4.055 0 50 EIAA CCc1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)n(C)n1 77486735 KUMURNZYPYMBCI-UHFFFAOYSA-N 349.434 4.047 0 50 EIAA Fc1cc(CN2CCC[C@@H](c3nccn3CC3CC3)C2)cc(F)c1F 82107849 UJDIEOYWGLNBTH-OAHLLOKOSA-N 349.400 4.090 0 50 EIAA CCC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1N(C)C 82109086 BKOTUAKAVRJRFH-BXUZGUMPSA-N 344.286 4.187 0 50 EIAA Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(F)c(F)c(F)c1)CCC2 110523871 DSPFIPKATTVFNH-CYBMUJFWSA-N 340.370 4.018 0 50 EIAA Cc1ccc([C@H]2CCCCCN2Cc2nc(-c3ccco3)no2)o1 158655321 RWDZWJSUEQVKGW-CQSZACIVSA-N 327.384 4.348 0 50 EIAA CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 245241354 BMSMPYBXRWNIIJ-IZRPIXQDSA-N 331.500 4.103 0 50 EIAA biogenic CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1[C@H](C)CCC[C@H]1C 245318999 YZZLWRCPCIMEHR-BZIXAJQCSA-N 325.537 4.088 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1F 455361009 UWQANDUPSFTLDS-INIZCTEOSA-N 348.397 4.191 0 50 EIAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc2c1CCC2=O 825205157 JNFAZKORPMLYKX-GOSISDBHSA-N 349.430 4.156 0 50 EIAA Cc1noc(C)c1C(C)(C)NC(=O)c1cc(-c2ccccc2)ccn1 935963139 LDKBYBDWTSFIKC-UHFFFAOYSA-N 335.407 4.019 0 50 EIAA Cc1ccsc1CCNC1CCN(c2ccc(F)c(F)c2)CC1 1506428140 NDEVCRTZTJRDMY-UHFFFAOYSA-N 336.451 4.136 0 50 EIAA CC(C)(C)C[C@@H](Nc1ncc(F)c(N2CCCC2)n1)c1cccnc1 1529195936 ROMIXIIRCTYDHR-MRXNPFEDSA-N 343.450 4.200 0 50 EIAA CCCOc1ccc([C@@H](CC)Nc2ncc(C(C)=O)c(C)n2)cc1 1772701705 NYFBCZRVAPHYTR-GOSISDBHSA-N 327.428 4.340 0 50 EIAA Cc1ccc(-c2noc([C@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)n2)c(F)c1 1775999548 OMHLNOIGZXXFPF-FDYHWXHSSA-N 342.292 4.007 0 50 EIAA C[C@@H]1C[C@H](N=c2nc(C(F)(F)F)c3c([nH]2)CCCC3)CCC1(C)C 1875357509 JUFGSOJIYKHNHL-VXGBXAGGSA-N 341.421 4.423 0 50 EIAA OCC1(NCc2csc(-c3ccccc3)c2)Cc2ccccc2C1 2325841576 AFNHBSFLQAGVOD-UHFFFAOYSA-N 335.472 4.035 0 50 EIAA CCOc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 149925 YMEOUKHACVMFLV-UHFFFAOYSA-N 341.436 4.146 0 50 EIAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 455670 RLGSPYWWWGAYFM-LLVKDONJSA-N 346.427 4.172 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OCC)cc1 466980 NIICOXJXLOXIGV-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(F)cc1 569614 ZCHFLQLAVNMLFK-UHFFFAOYSA-N 340.379 4.392 0 50 EIAA CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(C)cc3)ccc12 610018 PYTPMKMNXSBQAS-UHFFFAOYSA-N 336.387 4.234 0 50 EIAA COc1ccc([C@H](NC(=O)c2ccc(F)cc2)c2ccccc2)cc1 2849464 VAERMFFBKZWOOC-HXUWFJFHSA-N 335.378 4.354 0 50 EIAA CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 3127143 IKCUOQFDCQUFTQ-HNNXBMFYSA-N 327.424 4.365 0 50 EIAA biogenic C[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 4853979 CYXHKFCPUQJJSD-BZNIZROVSA-N 343.224 4.339 0 50 EIAA O=C(Nc1cccc(-c2noc(-c3cccs3)n2)c1)c1ccco1 6729295 RJVZXXVMTPDLIT-UHFFFAOYSA-N 337.360 4.310 0 50 EIAA CCOc1ccccc1-c1nc(CN2CCCC[C@@H]2COC)c(C)o1 11815046 KANNDGAOGXSFSP-MRXNPFEDSA-N 344.455 4.050 0 50 EIAA Cc1cccc(-c2nc(CN(CC3CC3)C[C@H]3CCCO3)c(C)o2)c1 12303392 MINBZJCVMXIZJB-LJQANCHMSA-N 340.467 4.349 0 50 EIAA CC(C)CCc1noc(CN2CCC(Cc3ccc(F)cc3)CC2)n1 12443081 ZRUOVEVRBFTXKO-UHFFFAOYSA-N 345.462 4.252 0 50 EIAA C(=C/c1ccccc1)\CN1CCN(Cc2ccnc3ccccc23)CC1 22454644 MYYVRZCFYBWXHH-RMKNXTFCSA-N 343.474 4.066 0 50 EIAA Cc1ccc2ncccc2c1CN1CCC([C@@H](C)N2CCCC2)CC1 72424593 AROJERNBAMHBJS-GOSISDBHSA-N 337.511 4.240 0 50 EIAA C[C@@H](Cn1cc(-c2ccccc2-c2ccccc2)nn1)n1ccnc1 91586639 QJQDTGIEDSPHPF-INIZCTEOSA-N 329.407 4.070 0 50 EIAA CCCC[C@@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)C1CCC1 120942002 NIUZTLJALJUFFQ-QGZVFWFLSA-N 345.443 4.124 0 50 EIAA C[C@H](NC(=O)NCc1nccs1)c1ccc(Cl)cc1Cl 193450693 BDKFQRHLIUGUPI-QMMMGPOBSA-N 330.240 4.010 0 50 EIAA CN(Cc1cccc(C(=O)O)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 263397793 HDNJNNHQUTUYGW-RTBURBONSA-N 339.435 4.063 0 50 EIAA CC[C@@H](N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)O 263578968 UAMBJMPODORKPI-NOZJJQNGSA-N 338.860 4.286 0 50 EIAA CN(C)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 277301581 PBHREPWJGGSINW-AWEZNQCLSA-N 346.858 4.156 0 50 EIAA Clc1ccc(-c2ncc(CN[C@@H]3CCCc4cn[nH]c43)s2)cc1 284036983 RMVGYAMMAZAANI-OAHLLOKOSA-N 344.871 4.354 0 50 EIAA CC[C@@H](C)n1ncc(C(=O)NCC2(C(F)(F)F)CCC2)c1C1CC1 343198508 VKVAHFSDACGPKB-LLVKDONJSA-N 343.393 4.194 0 50 EIAA OC[C@@H](c1ccc(F)cc1)n1ccnc1-c1c(F)cccc1Cl 1857729247 BFAZDYUBURZZOO-HNNXBMFYSA-N 334.753 4.063 0 50 EIAA Cc1cc(C(=O)O)cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 2325820397 SRLWZVMPOLRFLC-WJYNOGRTSA-N 343.810 4.023 0 50 EIAA Cc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1 203395 PLTXCHGVSPMGKU-UHFFFAOYSA-N 347.462 4.500 0 50 EIAA CCSc1nc2ccccc2n1CC(=O)Nc1ccccc1CC 210000 GWNAFHIVTHJWIV-UHFFFAOYSA-N 339.464 4.349 0 50 EIAA COC(=O)[C@@H](C)N(C(=O)c1ccc(Cl)cc1)c1c(C)cccc1C 297731 KVZAQTXIZNXDEJ-CQSZACIVSA-N 345.826 4.165 0 50 EIAA COc1ccc(-c2noc(-c3ccc(C)c(Cl)c3)n2)cc1OC 552405 WEIZOHJVUMIJOW-UHFFFAOYSA-N 330.771 4.383 0 50 EIAA C[C@H](Oc1ccc(Br)cc1)c1nc(-c2ccccn2)no1 621114 IFQUYKDSGSTZPI-JTQLQIEISA-N 346.184 4.034 0 50 EIAA COc1ccc2c(CCNC(=O)Nc3ccc(Cl)cc3)c[nH]c2c1 2437544 BPBAYXVDLXFVOM-UHFFFAOYSA-N 343.814 4.194 0 50 EIAA O=C1C[C@H](c2ccccc2)Cc2c1cnn2-c1nc2ccccc2s1 5486671 MDBVMARSIGFDTH-CQSZACIVSA-N 345.427 4.395 0 50 EIAA Cc1ccc(CN2CCC(CN(C)Cc3cccc(F)c3)CC2)o1 12200479 UCLDRNUQURWYEV-UHFFFAOYSA-N 330.447 4.071 0 50 EIAA Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 20448870 DFKGENUDQGJFOH-NRFANRHFSA-N 346.409 4.178 0 50 EIAA Cc1ccc(C)c(OCC(=O)N2CCCC[C@@H]2c2cccnc2)c1C 55403949 PMHPHPHUQQOJKB-LJQANCHMSA-N 338.451 4.139 0 50 EIAA Brc1nc(-c2cnco2)ccc1OCc1ccccc1 66054223 SNEXISSXLANPHT-UHFFFAOYSA-N 331.169 4.078 0 50 EIAA in-vitro C[C@H]1CCCN1Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3=O)c1 67886138 OTMCXIZKYVTFKY-HNNXBMFYSA-N 348.446 4.052 0 50 EIAA CC(=O)c1ccccc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72128912 BWDQDAGJPMVGKO-UHFFFAOYSA-N 342.402 4.440 0 50 EIAA Cc1ccc2c(C)c(C(=O)N(C)Cc3ccc4nccnc4c3)oc2c1 91656702 FYFNYOBBFLOCOB-UHFFFAOYSA-N 345.402 4.265 0 50 EIAA Cc1c([C@H](C)NC(=O)c2ccc[nH]2)cnn1-c1cccc2ccccc12 91848304 ZEBNRQUTUHBPPJ-AWEZNQCLSA-N 344.418 4.153 0 50 EIAA CC(C)Oc1ccccc1NC(=O)N1CCC[C@@H]1c1nccs1 96165821 RQPRJDKYSKHVMY-CQSZACIVSA-N 331.441 4.299 0 50 EIAA CC(C)c1nc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cs1 164502769 PLIHVRSUWLYXMP-GOEBONIOSA-N 348.512 4.411 0 50 EIAA Cc1cc(N[C@@H](C)C(c2ccccc2)c2ccccc2)n2ncnc2n1 170618088 OOSWQSMVCDCQOV-INIZCTEOSA-N 343.434 4.065 0 50 EIAA CN(c1ccccc1)c1ccc(CN2CCC[C@@H](CCCO)C2)cc1 216260564 CHXLIGNDBDMSME-IBGZPJMESA-N 338.495 4.439 0 50 EIAA CC1=CC[C@H]2CN(Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@H]2C1 247845790 SFMANXXHZIWARE-VQTJNVASSA-N 344.462 4.184 0 50 EIAA O=C1C[C@](O)(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 247856391 KAEAITWIXLBOTC-ZRBLBEILSA-N 328.411 4.415 0 50 EIAA CSc1ccc(O[C@H](C)C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1 252516734 WGGFEESJCVWXHD-LTZMRLDUSA-N 345.508 4.117 0 50 EIAA Cc1nnc([C@@H](C)N(C)CCCc2cc(-c3ccccc3)no2)s1 328586368 CKNAWWQYAIPUIO-CYBMUJFWSA-N 342.468 4.127 0 50 EIAA Cc1cc(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)cnn1 469062386 RWSIJWVJRPJLJS-KRWDZBQOSA-N 329.831 4.100 0 50 EIAA CC(C)C[C@H](NC(=O)N1CCO[C@@](C)(C2CC2)C1)c1cccs1 663770859 DMRZAKIVNWZNPV-MAUKXSAKSA-N 336.501 4.046 0 50 EIAA Cc1cc(Cl)c(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cc1C 669434217 NSGBXKRGCMBKBJ-CQSZACIVSA-N 343.810 4.176 0 50 EIAA CN(C(=O)c1cc(Cl)nc(Cl)c1)c1cccc2cccnc12 798510773 XYVXDNKUCWAHMD-UHFFFAOYSA-N 332.190 4.213 0 50 EIAA Cc1ncccc1Oc1ccc(NCc2cnc(C(C)(C)C)[nH]2)cn1 2325809199 OOMDHIBNMXHWTQ-UHFFFAOYSA-N 337.427 4.210 0 50 EIAA COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 191396 YJAVLAKVWQVVPL-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA CCN(CC)c1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 339906 RKLXFLOFBFMPBF-UHFFFAOYSA-N 340.467 4.476 0 50 EIAA Cc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 449501 KWURIDZBQSPUPK-UHFFFAOYSA-N 342.778 4.325 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccccc1O)NCc1ccccc1 454782 LECPPUWLQNRGJR-FQEVSTJZSA-N 331.415 4.231 0 50 EIAA Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c2ccccc2n1 612634 HIVZYJQJXQGHHV-UHFFFAOYSA-N 343.415 4.376 0 50 EIAA C[C@H](CC(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1 616940 KXOZPRCZAWDEPS-CQSZACIVSA-N 337.448 4.261 0 50 EIAA CCCc1ccc(OCc2nnc(S)n2-c2ccccc2)cc1 2544681 MMBHZDYLMFRAMN-UHFFFAOYSA-N 325.437 4.088 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2627385 DRTKRFRPTPZQOP-UHFFFAOYSA-N 331.799 4.088 0 50 EIAA CCCC(=O)N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 2701994 ATOJWCANZMSLDN-LLVKDONJSA-N 345.053 4.331 0 50 EIAA CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 2774287 LIGYHAJEXQOUBI-ZHACJKMWSA-N 329.421 4.357 0 50 EIAA O=C(Nc1cccc(Cl)c1)C(O)(c1ccccc1)c1ccccc1 2800864 UFGDAXFWMPHYKG-UHFFFAOYSA-N 337.806 4.215 0 50 EIAA Cc1ccc(S(=O)(=O)CCCCCCCCCCC(=O)O)cc1 3130420 PJCNWQNNDMVVQC-UHFFFAOYSA-N 340.485 4.364 0 50 EIAA CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccco1 3410844 ZBEHYVVZNMJJGV-LBPRGKRZSA-N 348.855 4.180 0 50 EIAA COc1ccc(OC)c(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1 3757144 RFILYPZXNIYKKZ-UHFFFAOYSA-N 343.766 4.271 0 50 EIAA C[C@@H]1C[C@@H](C)CN(CCOc2ccc(Br)cc2Cl)C1 4914039 UHCPLTZEQRQLPP-VXGBXAGGSA-N 346.696 4.459 0 50 EIAA Cc1ccc(-c2cnn3c(N4C[C@@H](C)C[C@H](C)C4)cc(C)nc23)cc1 7636219 KANMRAOPCDEPFF-HOTGVXAUSA-N 334.467 4.495 0 50 EIAA Clc1ccc(Cn2ccc(-c3cccc(-c4ncccn4)c3)n2)cn1 20535766 DVXRKFMBMHLCCA-UHFFFAOYSA-N 347.809 4.104 0 50 EIAA CC1=C(CCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)(C)CCC1 22023244 TWFDXIWDJAWJAK-MSOLQXFVSA-N 340.511 4.184 0 50 EIAA Cc1ccc(C)c(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)c1 71639614 GRFTZVOAKJJDNO-QGZVFWFLSA-N 343.854 4.041 0 50 EIAA c1cc(CN2CCCN(Cc3ccncc3)CC2)cc(-c2ccco2)c1 72149120 GMVZRTFVGWCPIG-UHFFFAOYSA-N 347.462 4.050 0 50 EIAA C[C@@H]1CCCCN1C1CN(c2nc(-c3ccc(F)cc3)cs2)C1 77300147 JPBVFVNBJSJEQJ-CYBMUJFWSA-N 331.460 4.012 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2cc(C(C)C)on2)c1 77377891 PNMVKSCCGXCZJS-QGZVFWFLSA-N 328.412 4.174 0 50 EIAA COc1ccc2cc(C(=O)N3CCC[C@H]3c3ccccc3C)n(C)c2c1 97505634 CXQGSTCPBPAMEO-IBGZPJMESA-N 348.446 4.473 0 50 EIAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102607106 LKWMEDLWCIVBFH-MPPDQPJWSA-N 348.295 4.096 0 50 EIAA O=C(Nc1nc2ccccc2n1C1CCCCC1)c1cncc(F)c1 126896372 OPJJWXQHVWIRDU-UHFFFAOYSA-N 338.386 4.328 0 50 EIAA C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1 169794646 HDNXAGOHLKHJOA-UHFFFAOYSA-N 337.628 4.322 0 50 EIAA CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc(C)cn1 223355007 MATZEGYRQQCJHE-QGZVFWFLSA-N 328.481 4.199 0 50 EIAA CCSCCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299774930 JEDKLWGGXUTYNB-BBWFWOEESA-N 343.496 4.058 0 50 EIAA CC(C)n1ncc2cc(NCc3cn(C)nc3-c3ccncc3)ccc21 676323828 ANGZJNORAHXJGX-UHFFFAOYSA-N 346.438 4.025 0 50 EIAA CCCOc1c(CNCc2cc(C3CC3)no2)cccc1OCC 886272535 SDMDZTNVSJQOHA-UHFFFAOYSA-N 330.428 4.029 0 50 EIAA O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc(-c2ccc(F)cc2)on1 1461160363 YKIWMRMQUPAMAG-NVXWUHKLSA-N 336.366 4.014 0 50 EIAA Cc1nc(-c2cccc(NCc3cc(C(F)(F)F)n[nH]3)c2)[nH]c1C 1875284235 RMIINISBDAQCNI-UHFFFAOYSA-N 335.333 4.048 0 50 EIAA C[C@]1(C(=O)Nc2ccc3c(c2)NC(=O)CCC3)CCc2ccccc2C1 1875337083 SLVPVPUWIKLFAL-QFIPXVFZSA-N 348.446 4.095 0 50 EIAA Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(-c3ccncc3)cc1)N2 1875349772 MERMQSFTVGPWSJ-HXUWFJFHSA-N 329.403 4.253 0 50 EIAA C[C@@H](N=c1[nH]c2ccc(Cl)cc2n1C)c1cc(F)ccc1N(C)C 2325829810 SPISKZXYBPJKLV-LLVKDONJSA-N 346.837 4.027 0 50 EIAA Cc1sc2ncc(C(=O)OCc3cncc(C(C)(C)C)c3)n2c1C 2325855585 HBSHKUHCZYIJFD-UHFFFAOYSA-N 343.452 4.062 0 50 EIAA CC[C@H](C(=O)Nc1nnc(CC2CCCC2)s1)c1ccccc1 28420 YNSVFQBJZPHKJW-HNNXBMFYSA-N 329.469 4.403 0 50 EIAA COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)c(OC)c1 133616 LMRZNTSHJKPQEH-UHFFFAOYSA-N 343.423 4.019 0 50 EIAA COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(OC)cc1Cl 294365 AJALOVWJXGIFRK-CHWSQXEVSA-N 331.799 4.099 0 50 EIAA COc1ccc(O[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 514514 UUNPIPBHWVWDLE-LBPRGKRZSA-N 349.814 4.072 0 50 EIAA CCCCOc1ccc(C(=O)OCC(=O)c2ccc(CC)cc2)cc1 1839301 CUYVFHWPXGICTO-UHFFFAOYSA-N 340.419 4.468 0 50 EIAA Clc1ccc([C@H]2C[C@@H](c3ccco3)n3ncnc3N2)c(Cl)c1 2842107 VSTJKGRMCFCGAH-OLZOCXBDSA-N 335.194 4.324 0 50 EIAA CCc1ccc(OCCOCCOc2ccc(C)cc2OC)cc1 2986874 XDUNOVWKKFDFLT-UHFFFAOYSA-N 330.424 4.040 0 50 EIAA Cc1ccc(CN2C(=O)CCNc3ccc(C(F)(F)F)cc32)cc1 4054193 LAUWGUOLHYGHHW-UHFFFAOYSA-N 334.341 4.363 0 50 EIAA O=C(NCc1cccnc1)c1ccccc1SCc1ccccc1 6702929 YGIGEKIVAOURPL-UHFFFAOYSA-N 334.444 4.304 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2F)CC1 6715795 XIMFUFHPXRAVSG-UHFFFAOYSA-N 347.821 4.142 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)n2)cc1 8549992 AMPSDUUKPIVKLY-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA O=C(C1CC1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 11818441 YDTZBCPQBUGTCB-CYBMUJFWSA-N 325.374 4.287 0 50 EIAA c1cc2c(cc1CNCc1ccc3[nH]c4c(c3c1)CCCC4)OCCO2 12717340 DJQNGBPCDYTVMG-UHFFFAOYSA-N 348.446 4.108 0 50 EIAA O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccs1 16475063 HKMBQEFYPXDQCA-UHFFFAOYSA-N 328.437 4.017 0 50 EIAA COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cc1 17070573 QMDCERCDEAQIQN-UHFFFAOYSA-N 335.201 4.410 0 50 EIAA COc1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1 17440339 AWOASPZWSBGCON-UHFFFAOYSA-N 330.391 4.041 0 50 EIAA O=C(c1ccc(NC2CC2)nc1)N1CCC[C@H](c2ccccc2)CC1 20295239 NLOZAAUDAIDTQA-KRWDZBQOSA-N 335.451 4.066 0 50 EIAA CC(C)(C)CN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67742532 ADVDGOWJOQXSNV-UHFFFAOYSA-N 346.858 4.348 0 50 EIAA CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)s1 77321635 VTWYRAFRDXSTCU-OAHLLOKOSA-N 331.412 4.457 0 50 EIAA Cc1cc([C@H]2CCCN2C(=O)c2cc(C)nc3c(C)c(C)ccc23)on1 77353389 LGLYYTBJAOFLFP-GOSISDBHSA-N 349.434 4.434 0 50 EIAA CSc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 77422879 MNBFMXQWZZGRRC-CYBMUJFWSA-N 346.456 4.284 0 50 EIAA CC(=O)c1ccc(OCc2ccn(-c3c(F)cccc3F)n2)cc1F 119400141 WHRCCSYMCGDUPA-UHFFFAOYSA-N 346.308 4.071 0 50 EIAA CC(C)COc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 152515685 AQUAVOBLQFXVGK-GYCJOSAFSA-N 345.508 4.310 0 50 EIAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C[C@H](C)c1ccc(F)cc1 157007787 NMTCPWBJASHGAZ-YVEFUNNKSA-N 329.419 4.023 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c(C)c1 169755472 LGEAOBLGOUYTGF-UHFFFAOYSA-N 346.434 4.151 0 50 EIAA Cc1ccc2c(CN(C)Cc3cc(F)c(F)c(F)c3)cc(=O)oc2c1 180516338 QKJMYCRQSDYKQL-UHFFFAOYSA-N 347.336 4.151 0 50 EIAA Cc1oc2c(c1C(=O)N[C@@H](CC(C)C)c1cccnc1)C(=O)CCC2 244718855 LSERIRNHPJRPSG-HNNXBMFYSA-N 340.423 4.019 0 50 EIAA CSC(C)(C)C[C@H](C)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 244774064 PNGUVYVHUKQZPF-GZCHXVLESA-N 325.562 4.216 0 50 EIAA CC[C@@H](N[C@H]1C[C@H](C)O[C@H](C)C1)c1cccc(Br)c1 245605285 QUEQOOMYXCPJLE-NOXHYTERSA-N 326.278 4.446 0 50 EIAA CC(C)Oc1ccc(NC(=O)NCCCc2cccnc2)cc1Cl 299767760 JWDQZBRWOHKCED-UHFFFAOYSA-N 347.846 4.277 0 50 EIAA CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(C)=O)o2)o1 331652912 RCODZFLEFPDTRJ-WFASDCNBSA-N 329.396 4.251 0 50 EIAA CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc([C@@H]2CCOC2)c1 341754652 AYUIWVJCXOBDRX-WOJBJXKFSA-N 338.451 4.199 0 50 EIAA O=C(O)C1(CC(F)F)CCN(Cc2ccc(-c3ccccc3)o2)CC1 1875283111 GOPNECDTXQMHND-UHFFFAOYSA-N 349.377 4.269 0 50 EIAA Cc1cc(-c2cccc(Cn3cccn3)c2)cc2cc(C(=O)O)[nH]c12 1875338377 VSXUJCJPLXDUDN-UHFFFAOYSA-N 331.375 4.086 0 50 EIAA CC(=O)COc1ccc2cc(-c3ccc4ncn(C)c4c3)ccc2c1 1875341194 KIWWTXQQRKVORV-UHFFFAOYSA-N 330.387 4.361 0 50 EIAA CSc1ccc([C@H](C)NC[C@H](CO)Cc2ccccc2C)cc1 2325738422 URTAGSXCCLADNZ-DLBZAZTESA-N 329.509 4.219 0 50 EIAA O=C(NC[C@@H]1CCCO1)c1sc2cc(Cl)ccc2c1Cl 297945 HFCSBQVBMRLYQE-VIFPVBQESA-N 330.236 4.117 0 50 EIAA CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC 445469 NOGFRUKCBJDDLU-UHFFFAOYSA-N 343.423 4.443 0 50 EIAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2Cl)CC1 795835 JAGZAFLBWUSDFQ-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA Cc1cc(OCCOCCN(C)Cc2ccccc2)ccc1Cl 2822705 WTRIWYYZBXVMBH-UHFFFAOYSA-N 333.859 4.176 0 50 EIAA CCOc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 2951340 DFTPRHRBZBJMKF-UHFFFAOYSA-N 334.213 4.029 0 50 EIAA CCOc1ccccc1OCCCCOc1ccc(C(=O)OC)cc1 2985055 LRABHULJZYFOBJ-UHFFFAOYSA-N 344.407 4.110 0 50 EIAA Cc1cc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc(C)c1O 4361557 XSLDFMIMFSEIQB-UHFFFAOYSA-N 345.398 4.492 0 50 EIAA CC(C)(C)c1ccc(-c2noc(CNC(=O)C3CCCCC3)n2)cc1 4998182 LMFIRLJQVLYETJ-UHFFFAOYSA-N 341.455 4.231 0 50 EIAA CCOc1cccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1 9259339 UJOWSMQBOWXPBC-UHFFFAOYSA-N 340.423 4.322 0 50 EIAA COCC[C@H]1CCCCN1Cc1c[nH]nc1-c1ccc(C)c(C)c1 11936479 VLOKMWRWODVLAF-LJQANCHMSA-N 327.472 4.085 0 50 EIAA C[C@H](NC[C@@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 12383891 HXFPAKGMNBNTBT-OXHPOLQJSA-N 333.516 4.320 0 50 EIAA N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccc(Cl)cc1 17072209 RHBXNGLQUQQLRJ-UHFFFAOYSA-N 347.201 4.149 0 50 EIAA Brc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1 19376166 HPHJFDGJKPJDGN-INIZCTEOSA-N 327.225 4.166 0 50 EIAA biogenic CN(Cc1cc(Br)c(O)c2ncccc12)C1CCCCC1 20076869 OOTOCBPKUNWDIN-UHFFFAOYSA-N 349.272 4.467 0 50 EIAA Cc1cccc(NC(=O)/C=C(\C(=O)O)c2ccc(Cl)cc2)c1C 22023148 XHJBDLHNCPPYQO-GDNBJRDFSA-N 329.783 4.064 0 50 EIAA CN(C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ccncc1 65509073 MZDGCLFAMBGFTK-UHFFFAOYSA-N 334.467 4.200 0 50 EIAA Cc1cc(N2CCC[C@H](c3ccn[nH]3)C2)nc2cc(Cl)ccc12 67850467 DJOSKXAWGSLHMS-ZDUSSCGKSA-N 326.831 4.304 0 50 EIAA Cc1ccccc1OC[C@H]1CCCN(Cc2ccnc(C(C)C)n2)C1 72153983 YKVWCDWMOAGJFE-SFHVURJKSA-N 339.483 4.199 0 50 EIAA CCc1ccc(NC(=O)c2cccc(Oc3ccc(C)nn3)c2)cc1 72437400 FIMVKCILHOTEIX-UHFFFAOYSA-N 333.391 4.392 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)nn1 72446865 RBYDRCRMMBWYDR-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA CC[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)n1C 82161792 VFSPPWMIIDHQSK-KRWDZBQOSA-N 333.435 4.101 0 50 EIAA CCc1cc(CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)on1 95374201 XJLZMTWIEVQZBE-UHFFFAOYSA-N 327.211 4.124 0 50 EIAA O=C(O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 115713278 KMTSPRCZFZYYKS-UHFFFAOYSA-N 340.342 4.025 0 50 EIAA C[C@@H]1CN(C(=O)c2cc(COC(C)(C)C)on2)c2ccccc2S1 186356359 UXBNOBZJGJESFG-GFCCVEGCSA-N 346.452 4.131 0 50 EIAA CC1(C)CN(C(=O)OC(C)(C)C)c2cc(Br)ccc2N1 211486890 AGGPWLCNPUGVSA-UHFFFAOYSA-N 341.249 4.395 0 50 EIAA CN(CCC[C@H]1CCCO1)Cc1ccc(CN2CCCCC2)s1 215570324 DKBJBSBPQYZTNS-KRWDZBQOSA-N 336.545 4.125 0 50 EIAA CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)c1 225690418 CXOOGOJXUAEVCE-HIFRSBDPSA-N 325.399 4.477 0 50 EIAA Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C[C@@H](N)c2ccccc2)cc1 237505404 FSJRMKRTMAHZGJ-ZNLUXHQJSA-N 336.479 4.385 0 50 EIAA CC(C)n1cnc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c1 239359628 AEYHFBVEKKLRBG-HNNXBMFYSA-N 329.419 4.013 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)c2cccc(-c3nccs3)c2)no1 299773096 CRPJBEJSTCKHOX-INIZCTEOSA-N 339.420 4.084 0 50 EIAA CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccsc1Cl 366747619 JRUBBNMSGBRRPF-GFCCVEGCSA-N 338.864 4.377 0 50 EIAA Cc1cc(-c2ncco2)ccc1NC(=O)c1cnn(CC(C)C)c1C 408517292 FQSNHFAKRGSUGO-UHFFFAOYSA-N 338.411 4.063 0 50 EIAA C[C@@H](c1ccc(F)nc1)N1CCC(OCc2ccccc2F)CC1 863950179 AKNPQGRDAVBELT-AWEZNQCLSA-N 332.394 4.102 0 50 EIAA CCC(C)(C)[C@@H](O)c1nc(-c2cccnc2Oc2ccccc2)no1 888095444 HEHIPOWOCVBCAY-HNNXBMFYSA-N 339.395 4.394 0 50 EIAA O=Cc1ccc(-c2cc(C=O)c(-c3ccc(C=O)cc3)cc2C=O)cc1 1848350145 RWBVIFOAWUGLCE-UHFFFAOYSA-N 342.350 4.271 0 50 EIAA O=S(=O)(Nc1ccc(-c2cccc(O)c2)cc1)c1sccc1F 2325865285 VTILVKSMGBGBPN-UHFFFAOYSA-N 349.408 4.061 0 50 EIAA Cc1nc2sc(-c3ccccc3)cc2c(=O)n1Cc1ccccc1 98341 JHUQGBICGJZWJL-UHFFFAOYSA-N 332.428 4.482 0 50 EIAA CCC(=O)N(CC[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 102361 RORFEHRCSGKUHD-MRXNPFEDSA-N 333.472 4.029 0 50 EIAA biogenic O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1cccs1 207304 PHUDJITXCAQVEU-UHFFFAOYSA-N 333.434 4.174 0 50 EIAA Cc1nnc(SCC(=O)c2ccc(Cl)cc2)n1-c1ccccc1 390383 WRYFFPGPRPSYJH-UHFFFAOYSA-N 343.839 4.204 0 50 EIAA Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCCCC2)c1 464679 HTEOCYUIHKMKBC-UHFFFAOYSA-N 338.451 4.311 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 473803 MEHWWDNGHMFNHY-NRFANRHFSA-N 337.463 4.325 0 50 EIAA O=C(COC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 482478 AWELQLZXHKGVER-UHFFFAOYSA-N 327.138 4.172 0 50 EIAA CC(=O)Oc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 2748398 FGGXEDYJOHXKSY-UHFFFAOYSA-N 331.371 4.116 0 50 EIAA CC(=O)Nc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 2754544 JUPMFYAEFAOITF-UHFFFAOYSA-N 337.807 4.246 0 50 EIAA Clc1cccc(/C=C/c2nn3c(-c4cccnc4)nnc3s2)c1 4540204 NKLGVFDKRPCRCK-VOTSOKGWSA-N 339.811 4.072 0 50 EIAA COC[C@@H](C)NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 6701268 JDBDUSAACFOAJH-OAHLLOKOSA-N 329.465 4.052 0 50 EIAA Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1C 12435245 YXSNMOIIPOPFEK-KRWDZBQOSA-N 344.405 4.298 0 50 EIAA O=C(CSCC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 34132322 IQGKHMUFQZIGGN-UHFFFAOYSA-N 348.427 4.448 0 50 EIAA CC[C@H](C)N(Cc1cccnc1)Cc1c[nH]nc1-c1ccc(F)cc1 55167772 KUKJKWSYUPUOSY-HNNXBMFYSA-N 338.430 4.412 0 50 EIAA Cc1cccc(-c2ncc(CN[C@H](C)c3cn4ccsc4n3)cn2)c1 55211575 OPGLTOHHOUIKHE-CQSZACIVSA-N 349.463 4.012 0 50 EIAA Cc1ccc(SCCN(C)C(=O)c2nc3c(s2)CCCC3)cc1 55255377 CBHKYTGLHOKGLJ-UHFFFAOYSA-N 346.521 4.195 0 50 EIAA Cc1cccc(-c2c[nH]nc2C2CCN(Cc3ccncc3)CC2)c1 77356781 QUZBWRIPHKBIOE-UHFFFAOYSA-N 332.451 4.160 0 50 EIAA Cc1cc2cccc(NC(=O)N3CCC(c4n[nH]cc4C)CC3)c2o1 95530390 XRANKVFKHNGXKP-UHFFFAOYSA-N 338.411 4.184 0 50 EIAA O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CS1 170613060 VDBHJIDVRJXMJY-CYBMUJFWSA-N 345.811 4.349 0 50 EIAA CO[C@H](C(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccccc1 183728605 NSUFMTXEHLSVJG-AWEZNQCLSA-N 327.277 4.171 0 50 EIAA CC[C@H](NC(=O)C1(c2ccc(OC)cc2)CCCC1)c1cccnc1 222502475 ZIWJWTKQZHPQQX-IBGZPJMESA-N 338.451 4.170 0 50 EIAA CC(C)N(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CCOC1 241720926 QTKCZXIJCQJTND-ZDUSSCGKSA-N 333.815 4.240 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(C(F)(F)F)ccc1F 263536950 ZVSPQHSVBITLPQ-KMUNFCNLSA-N 345.336 4.062 0 50 EIAA Cc1sc(C(=O)O)cc1CN1C[C@H](c2ccc(F)cc2)C[C@H]1C 408521820 KIUVEULBXKTGFZ-IAQYHMDHSA-N 333.428 4.272 0 50 EIAA Cn1ccc2c(NC(=O)c3cc4ccccc4c(=O)s3)cccc21 888103843 CWRMTBDJILONMA-UHFFFAOYSA-N 334.400 4.006 0 50 EIAA Cc1cc(N[C@H](c2ccc(F)cc2)c2ncc[nH]2)nc(C2CCC2)n1 894728652 KIARSTYUQITKFG-QGZVFWFLSA-N 337.402 4.116 0 50 EIAA Cc1ccc([C@H](C)c2nc(-c3ccc(CC(C)C)nc3O)no2)o1 904232180 SRKQJYXZIGJOIW-LBPRGKRZSA-N 327.384 4.089 0 50 EIAA Cn1cc(CN[C@H]2C[C@H](c3ccc(F)c(Cl)c3)C2)c(C(F)F)n1 1775986394 ZHSKBRPKUHJVBB-UMSPYCQHSA-N 343.780 4.186 0 50 EIAA C[C@H](NC(=O)Nc1cnn(C(F)F)c1)[C@@H](C)c1ccccc1Cl 1857530470 JJWZJSQTNQLYQC-ZJUUUORDSA-N 342.777 4.245 0 50 EIAA C[C@H]1CN(c2cc(Cl)nc(-c3ccoc3)n2)CC2(CCCCC2)O1 1875358857 LSKZLOJCDKTIPC-ZDUSSCGKSA-N 347.846 4.318 0 50 EIAA C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 36286 ANKXDSLWSFYJSK-GAJHUEQPSA-N 343.426 4.291 0 50 EIAA CC(C)NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 76467 MMSJDAUAXNQMKV-UHFFFAOYSA-N 342.464 4.017 0 50 EIAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C=C(C)C 145666 RTVIOENHNZIUQF-UHFFFAOYSA-N 329.421 4.497 0 50 EIAA COc1ccc(C(=O)COC(=O)c2ccccc2-c2ccccc2)cc1 313334 PRFGJOFRSKPEIE-UHFFFAOYSA-N 346.382 4.402 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1 568395 VOOLINUCWJNYIZ-UHFFFAOYSA-N 326.440 4.492 0 50 EIAA CCCC(=O)N[C@@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 2054236 LORZAPZAPFWUCO-CYBMUJFWSA-N 337.678 4.328 0 50 EIAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1 2882118 IOJZUNWLEGNRIS-UHFFFAOYSA-N 337.416 4.067 0 50 EIAA Cc1ccc(N)c(N(Cc2ccccc2)C(=O)c2cccc(N)c2)c1 3466318 GKBDUIJKLRSXKT-UHFFFAOYSA-N 331.419 4.006 0 50 EIAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)Nc2ccccc2)cc1 4694322 HDBHZBALIAQTCR-KRWDZBQOSA-N 340.423 4.322 0 50 EIAA O=C(COc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 4759468 ICSKQAQRBDZEGM-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA COC(=O)c1cc(C)sc1NC(=S)Nc1ccccc1Cl 6825624 PNVCMFPFDDQZPX-UHFFFAOYSA-N 340.857 4.305 0 50 EIAA CC(C)c1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 8612360 JBHXUJAFEVVLLA-UHFFFAOYSA-N 336.391 4.483 0 50 EIAA CCN(C(=O)c1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 12406071 NMXLBJSFGNJGDB-UHFFFAOYSA-N 345.402 4.001 0 50 EIAA C[C@@H](c1ccc(-c2cccc(F)c2C(N)=O)cc1)N1CCCCC1 65380323 CAYFSEKZISGRGN-AWEZNQCLSA-N 326.415 4.139 0 50 EIAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C(C)(C)C)CCO2 67757064 WLMBRQCMQLQSPI-UHFFFAOYSA-N 339.435 4.135 0 50 EIAA O=C(c1ccc(NC2CC2)nc1)N1CCC(CCc2ccccc2)CC1 67869372 QRUHLLBWXYAOME-UHFFFAOYSA-N 349.478 4.141 0 50 EIAA Cc1ccccc1CCC(=O)N1CCC[C@H](c2nccn2C(C)C)C1 95497530 HGHAKWNDUSXUIQ-IBGZPJMESA-N 339.483 4.111 0 50 EIAA Cc1c(CN(C)Cc2noc3c2CCCC3)[nH]c2ccc(F)cc12 97546457 IXBQWCFFULRVFM-UHFFFAOYSA-N 327.403 4.114 0 50 EIAA FC(F)(F)c1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100716278 HAVIERNSKBMMJW-INIZCTEOSA-N 342.324 4.353 0 50 EIAA COc1cccc2c1N(C(=O)c1oc(-c3ccccc3)nc1C)CCC2 170641884 XRJYHPURVXEZKJ-UHFFFAOYSA-N 348.402 4.252 0 50 EIAA CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H]2c2ccsc2)c1C 252458452 INIZFICLLUGPQC-CJNGLKHVSA-N 344.480 4.304 0 50 EIAA CN(Cc1cc(-c2ccccc2)on1)Cc1cc(-c2cccnc2)no1 252504255 VIWVNUQPLGTVQD-UHFFFAOYSA-N 346.390 4.024 0 50 EIAA O=C(C1CCSCC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 275065020 ZGQBIRBLXMFVBD-GUDVDZBRSA-N 329.509 4.314 0 50 EIAA CC(C)Cc1nc2ccc(NC(=O)[C@H](C(C)C)n3cccc3)cc2[nH]1 409414828 XPEFXQUQFKSTKT-IBGZPJMESA-N 338.455 4.399 0 50 EIAA Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCC[C@H](N)CC2)cc1 426387185 ZKISVKIYIUQBRJ-SFHVURJKSA-N 342.870 4.269 0 50 EIAA O=C(Nc1ncc(C2CCOCC2)s1)c1ccsc1C(F)F 821334775 ZOASHBAFLHSJOI-UHFFFAOYSA-N 344.408 4.289 0 50 EIAA COc1cc([C@H](C)NC2CCN(c3ccc(Cl)cc3)CC2)ccn1 952845216 GUCQCPTXNUGLOR-AWEZNQCLSA-N 345.874 4.063 0 50 EIAA Cc1c(NC(=O)C(C)(C)Cc2ccc(O)cc2)cnn1C1CCCC1 1335911831 AKTCVGVQCVKHNK-UHFFFAOYSA-N 341.455 4.220 0 50 EIAA CC1(C)C[C@@H]2C[C@@](C)(CN2c2nnc(CSc3ccncc3)o2)C1 1772709454 JMOLBZLGATWIBK-FZKQIMNGSA-N 344.484 4.162 0 50 EIAA Clc1ccc2nc(N3CCC(C4CCNCC4)CC3)sc2c1 1857676024 BBVMKVSIMKCPKI-UHFFFAOYSA-N 335.904 4.166 0 50 EIAA CC[C@@H](NC(=O)C[C@](C)(O)c1ccccc1)c1cccc2cc[nH]c12 1875320314 PCHRGARDVPPVNW-NQIIRXRSSA-N 336.435 4.033 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@@H](C)c1ccc2ccccc2n1 2325742183 AAUXTNCIOGCQQS-ROUUACIJSA-N 334.463 4.045 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 67532 ZZMBHRGBYQHDRS-UHFFFAOYSA-N 327.387 4.411 0 50 EIAA CCOc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1O 124206 HQACKSMDOMZMFQ-KRWDZBQOSA-N 333.387 4.418 0 50 EIAA c1ccc(-c2csc3ncnc(-n4nnc5ccccc54)c23)cc1 390196 IKPPJVHCYRZSIW-UHFFFAOYSA-N 329.388 4.092 0 50 EIAA OCc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 475368 NCYJJNSUNYYRBU-UHFFFAOYSA-N 327.605 4.174 0 50 EIAA C[C@@H]1CCCCN1C(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 4840624 JPOQVBXAJXEOHC-OAHLLOKOSA-N 347.418 4.418 0 50 EIAA Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1Cl 6715729 IERMBPUJXAEGQS-UHFFFAOYSA-N 347.821 4.142 0 50 EIAA Cc1ccc2oc(C(=O)N3CCC(O)(c4ccccc4)CC3)c(C)c2c1 11716215 KKVWEICCIBPNQS-UHFFFAOYSA-N 349.430 4.173 0 50 EIAA CCC(=O)N(Cc1ccncc1)Cc1ccc(OCC(C)C)cc1 11841599 MVTBSQQJSUSLHY-UHFFFAOYSA-N 326.440 4.055 0 50 EIAA C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccccc2-c2ccccc2)C1 12420053 ABPFCTGMKMWQTL-QWFCFKBJSA-N 339.479 4.071 0 50 EIAA Clc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 19781903 JLRLGONHCPAGDX-UHFFFAOYSA-N 335.278 4.311 0 50 EIAA C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 40420429 HITLMPHPGUZLGI-FDBLAFQCSA-N 334.456 4.185 0 50 EIAA biogenic,in-vitro CCCN(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 55118888 SJQIYXVFAOVVPL-FQEVSTJZSA-N 329.532 4.338 0 50 EIAA CC[C@H](c1ccc(OC)cc1)N(CC)C(=O)C1CCC(OC)CC1 55196064 ZQVMMSIAMBQTRS-NKELODKYSA-N 333.472 4.200 0 50 EIAA COc1ccc(F)c(-c2nc(Cn3cnc4ccccc43)c(C)o2)c1 67920043 DHYNCGUJUQNAJU-UHFFFAOYSA-N 337.354 4.196 0 50 EIAA O=C(c1cccc(Cn2cccn2)c1)N1CCCCC[C@H]1c1ccco1 82161557 XDGYFPPRFCNXEA-IBGZPJMESA-N 349.434 4.282 0 50 EIAA Cc1nnc(-c2cccc(-c3cccc(C(=O)N4CCCC4)c3)c2)s1 96153876 PQWQETYIEYISFP-UHFFFAOYSA-N 349.459 4.417 0 50 EIAA C[C@@H](OCc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C 170604749 PCHMLULVPWRESZ-ZIAGYGMSSA-N 329.827 4.223 0 50 EIAA COc1cccc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1 179069213 BODKPIWOHUJAAJ-LJQANCHMSA-N 339.826 4.018 0 50 EIAA CC(C)c1noc([C@@H](C)N[C@H](CN(C)Cc2ccccc2)C(C)C)n1 225615762 JTCSSKWSNMLIMV-SJLPKXTDSA-N 344.503 4.000 0 50 EIAA Clc1ccc2nc(N3C[C@@H]4C[C@H](C3)[C@@H]3CCCCN3C4)sc2c1 1857738362 DLAVJVIBQQLIMY-IOASZLSFSA-N 347.915 4.260 0 50 EIAA O=C(Nc1cccc(F)c1C(F)(F)F)[C@H]1C[C@@H]2CCCC[C@H]2O1 1875330664 XNHYZHJOBATTEB-ZWKOPEQDSA-N 331.309 4.131 0 50 EIAA CC[C@@H](C)n1ncc(Nc2ncnc3[nH]c(C(F)F)nc23)c1C1CC1 2325873945 ZRSAOUMFZROSHF-MRVPVSSYSA-N 347.373 4.079 0 50 EIAA CC1=C(OC(=O)c2ccccc2)C(C)(C)[C@H](c2ccccc2)OC1=O 87363 UXXMZHQXFIACTH-SFHVURJKSA-N 336.387 4.442 0 50 EIAA O=C1C[C@@H](c2ccccc2)Cc2nc(NCc3ccccc3)ncc21 106555 PVTUMTXAAAFDDV-KRWDZBQOSA-N 329.403 4.001 0 50 EIAA S=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 107382 CRONGWYADIUCSA-UHFFFAOYSA-N 329.856 4.350 0 50 EIAA CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 464560 GBYCBAODDJRZQZ-GFCCVEGCSA-N 346.814 4.013 0 50 EIAA O=Cc1cc(Br)ccc1OCc1cccc(Cl)c1 469301 ROBRZEPVGIQZMR-UHFFFAOYSA-N 325.589 4.494 0 50 EIAA COc1ccc([C@H](C)NC(=O)c2oc3ccccc3c2C)cc1OC 1055849 QYLVZKYJKCXRDU-ZDUSSCGKSA-N 339.391 4.249 0 50 EIAA Cc1ccccc1C(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 2508550 WJXBBLVZJDSQMQ-UHFFFAOYSA-N 330.598 4.107 0 50 EIAA Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1C 2747961 HUJXIXAWGABHBL-UHFFFAOYSA-N 337.345 4.035 0 50 EIAA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCC3)c2C(N)=O)C1 2762068 PXMOGMDLQYFPQV-LBPRGKRZSA-N 348.512 4.127 0 50 EIAA Cc1cc(C)c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)c1 2842289 YDDMYWOKSXGNJG-UHFFFAOYSA-N 344.414 4.364 0 50 EIAA CCOC(=O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 3958763 DZTAJGBADYJNRE-UHFFFAOYSA-N 327.424 4.018 0 50 EIAA Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1C 12406154 GNDVBLOWLZUKHG-LJQANCHMSA-N 325.408 4.114 0 50 EIAA c1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)nc1 19794564 YENWASZMJDZILZ-NRFANRHFSA-N 329.403 4.304 0 50 EIAA COc1ccc(-c2cc(C(=O)Nc3cccc4cccnc34)no2)cc1 32623223 PQVCNJRDINENFY-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA COc1cccc2c1ccn2CCC(=O)Nc1ccc2[nH]ccc2c1 62001648 NRSQLTDTXKFFDB-UHFFFAOYSA-N 333.391 4.160 0 50 EIAA biogenic O=C(O)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1Cl 65355344 HWKPSGZBLYDWBT-UHFFFAOYSA-N 343.810 4.331 0 50 EIAA in-vitro CC(=O)Nc1ccc(-c2nccn2CCc2c[nH]c3ccccc23)cc1 67834004 DFGCVSYWAHLCMV-UHFFFAOYSA-N 344.418 4.233 0 50 EIAA CC(C)c1nc(CN(C)Cc2cc(F)ccc2-n2cccn2)cs1 77486128 CVGZOTHJVGJFDV-UHFFFAOYSA-N 344.459 4.223 0 50 EIAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3cc[nH]c23)c1 172979615 CQBXVBLCOIEYGI-UHFFFAOYSA-N 341.798 4.422 0 50 EIAA C[C@H](N[C@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2s1 184367548 MCGHRLKZGQDIDU-UONOGXRCSA-N 349.463 4.289 0 50 EIAA Cc1cccc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c1 212882346 YUDURBGKWDLABH-YADHBBJMSA-N 345.442 4.139 0 50 EIAA CN(CCC[C@@H]1CCCO1)Cc1ccc(CN2CCCCC2)s1 215570279 DKBJBSBPQYZTNS-QGZVFWFLSA-N 336.545 4.125 0 50 EIAA Fc1cc2nc(/C(Cl)=C/c3cc4n(n3)CCCC4)[nH]c2cc1F 848639175 PTCNONNYZGEAGC-WDZFZDKYSA-N 334.757 4.111 0 50 EIAA Clc1cc(N2CCO[C@@H](c3cccs3)C2)nc(C2CCC2)n1 892921634 XWGXIOJMFDKQPU-GFCCVEGCSA-N 335.860 4.037 0 50 EIAA CCCCCc1nnc(NC(=O)c2ccc3sc(C)nc3c2)s1 1529172090 IANMNOMPGVKARH-UHFFFAOYSA-N 346.481 4.441 0 50 EIAA Oc1cc(C2CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)ccn1 1772810466 HXAYJDJWVVBGBO-GOSISDBHSA-N 342.439 4.001 0 50 EIAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1ccn2ccsc12 1875305304 PJRBMLMSLFFPES-KOMQPUFPSA-N 340.448 4.121 0 50 EIAA O=C([C@H]1C[C@@H]1c1ccncc1)N1CCC[C@H](c2c[nH]c3ccccc23)C1 2325799171 ZJSYRJFKHLJVCB-UHOSZYNNSA-N 345.446 4.073 0 50 EIAA CC1(C)Cc2nc[nH]c2[C@H](NCc2ccc(Oc3ccccc3)nc2)C1 2325803594 PTYFGQLOZWYZAD-QGZVFWFLSA-N 348.450 4.400 0 50 EIAA CCCCc1oc2ccccc2c1C(=O)NCC[C@H](C(C)C)N(C)C 2325862698 DQSSJOLYFSFWKC-QGZVFWFLSA-N 344.499 4.482 0 50 EIAA CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1OC 90607 LPVOFRWOKFQKMW-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccccc1O 113802 RJWPMZLEPDBFLE-UHFFFAOYSA-N 348.789 4.412 0 50 EIAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1F 181009 ZPNDKYNVPFIHBK-UHFFFAOYSA-N 347.802 4.174 0 50 EIAA CC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 468880 CQZBOIGZCJPPOL-UHFFFAOYSA-N 333.840 4.415 0 50 EIAA COc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 2287885 ATPSAYKXQMRVSH-INIZCTEOSA-N 347.414 4.243 0 50 EIAA CCCOc1cccc(C(=O)Nc2ccc(Br)cc2)c1 2975180 XQQJBTZNCIOGMY-UHFFFAOYSA-N 334.213 4.490 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1C 4310103 DNVSMSGUHQECQK-UHFFFAOYSA-N 332.856 4.392 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 4560848 MJAAMBAOHYSMKQ-UHFFFAOYSA-N 342.464 4.165 0 50 EIAA COc1cc(CNCc2ccccn2)ccc1OCCc1ccccc1 4942978 ZZNNMBUFLHUVQO-UHFFFAOYSA-N 348.446 4.002 0 50 EIAA CC(=O)Nc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 6214957 RYZHATWDNXODDE-UHFFFAOYSA-N 344.414 4.493 0 50 EIAA CC[C@H](NC(=O)c1c(Cl)c(C)nn1C)C12CC3CC(CC(C3)C1)C2 6489245 MWXRECYZLDWZID-ZBUUCQELSA-N 349.906 4.107 0 50 EIAA Cc1ccc2oc(C(=O)NCC3(N(C)C)CCCCC3)c(C)c2c1 11661132 AVLWTYKDVFGSKI-UHFFFAOYSA-N 328.456 4.044 0 50 EIAA COc1ccc(N[C@@H]2CCCN(C(=O)C3(C)CCCCC3)C2)cc1 11937093 JNPKOHLNIZJFBY-QGZVFWFLSA-N 330.472 4.069 0 50 EIAA Cc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1 12866141 PUBQDEIWZJTZBS-UHFFFAOYSA-N 336.435 4.264 0 50 EIAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(Cl)c1 14567981 BHKJXWAVWZYFTH-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA COC(C(=O)Nc1cccc(F)c1)(c1ccccc1)c1ccccc1 17070598 FTUQTRDMJIMXGH-UHFFFAOYSA-N 335.378 4.354 0 50 EIAA C[C@H]1CN(C(=O)c2ccccc2SCc2ccccc2)C[C@@H](C)O1 18221780 ULLHRASTDCNIGW-IYBDPMFKSA-N 341.476 4.228 0 50 EIAA Cc1cc(-c2cccc(-c3ccn(CCCO)n3)c2)c2ccccc2n1 20149045 ZCUUYIOFOQVAQA-UHFFFAOYSA-N 343.430 4.456 0 50 EIAA Cc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)nn1 38488265 HGMLVSMEMXQMKR-UHFFFAOYSA-N 332.407 4.100 0 50 EIAA Cc1[nH]c2c(-c3c(-c4ccccc4)ncn3CCO)cccc2c1C 67921316 KAFWRAPTGAFKAN-UHFFFAOYSA-N 331.419 4.308 0 50 EIAA O=C(c1cc(F)c(F)cc1Cl)N1CCCC[C@@H]1c1ccccn1 72418956 YTRPFOZOJLSGCN-MRXNPFEDSA-N 336.769 4.381 0 50 EIAA c1ccc(CCCN2CCC[C@@H](Nc3cnc4ccccc4n3)C2)cc1 72478647 CSVMCQHIVHGCDN-LJQANCHMSA-N 346.478 4.139 0 50 EIAA CC(C)(O)CCc1cccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1 75962379 BNVFFAKBMYUVCE-MJGOQNOKSA-N 329.484 4.042 0 50 EIAA Cc1cc(N2CCC[C@@H](c3nccn3C)C2)nc2cc(Cl)ccc12 82166391 NLHWUHJSGKHKPQ-CQSZACIVSA-N 340.858 4.314 0 50 EIAA CC(C)c1c(C(=O)N[C@@H](C)CC2CC2)cnn1-c1ccc(F)cc1 112601232 MBHOTRSSRCYXKW-ZDUSSCGKSA-N 329.419 4.053 0 50 EIAA Cc1cnccc1NC(=O)N1CC[C@H](CSc2ccccc2)C1 121701808 VGZVMVSFMSPKMD-HNNXBMFYSA-N 327.453 4.036 0 50 EIAA O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@H]1CCCc2sccc21 123863215 GHJSGBZTLBVCTA-INIZCTEOSA-N 338.436 4.337 0 50 EIAA CCN(C(=O)c1csc(-c2ccccn2)n1)c1ccccc1F 169965748 AKCLNCRNGDHNAP-UHFFFAOYSA-N 327.384 4.011 0 50 EIAA Cc1ccc(OCCC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c(C)c1 170594667 KZWADBPSBYWHMG-QFBILLFUSA-N 338.451 4.077 0 50 EIAA C[C@H]1CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CCCO1 171271405 BJCNIYIQIUWLKE-VIFPVBQESA-N 344.263 4.459 0 50 EIAA Cc1csc([C@@H](NC(=O)Cc2csc(C(C)(C)C)n2)C2CC2)n1 173397775 NSPNJVVHLTWTHH-AWEZNQCLSA-N 349.525 4.016 0 50 EIAA CC(C)COc1ccc(CNc2cccc3c2OCC[C@H]3O)cc1 184061810 XIXZIRRZVWRKFB-LJQANCHMSA-N 327.424 4.149 0 50 EIAA Cc1ccc(-n2cccn2)cc1NC(=O)C[C@@H]1CCOc2ccccc21 190443700 WEHROQOIYILLIG-INIZCTEOSA-N 347.418 4.076 0 50 EIAA Cc1cc(CC(=O)N2CC3(CCCC3)c3cccc(Cl)c32)no1 192231561 ZUBFQHPQWWXFAC-UHFFFAOYSA-N 330.815 4.038 0 50 EIAA CC(C)Sc1ccc(Cl)cc1NC(=O)N1CC[C@H](O)[C@@H](C)C1 225611173 OPNICSCHHDIKLB-FZMZJTMJSA-N 342.892 4.075 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(F)c(Cl)c1Cl 263500697 KTDGCVJCJJVZAF-ICCXJUOJSA-N 346.229 4.350 0 50 EIAA CCc1ccccc1NC(=O)CN1CCC(F)(c2ccccc2)CC1 434491930 DZWKSQSTDDFUEJ-UHFFFAOYSA-N 340.442 4.148 0 50 EIAA Cc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc(C)c1O 436730757 ICGSKBBQBPYFGC-UHFFFAOYSA-N 326.421 4.265 0 50 EIAA COc1cccc(C(C)(C)CNC(=O)c2ccc3ncsc3c2)c1 441559458 SGHRXOSLGYNXKD-UHFFFAOYSA-N 340.448 4.013 0 50 EIAA O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1[C@H]2CCC[C@H]21 480528159 OBERLKIETFLNQH-UBBSUXGDSA-N 343.470 4.446 0 50 EIAA CN(C(=O)[C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1Cl 906029253 YNWRTJUTIMYKOK-LBPRGKRZSA-N 325.811 4.181 0 50 EIAA CC1(c2cc(NC(=O)N[C@@H](c3ccccn3)C3CC3)no2)CCCC1 931132819 TXMFBFQBNJBUGC-QGZVFWFLSA-N 340.427 4.174 0 50 EIAA Cc1c(NC(=O)c2c[nH]cc2Cc2ccccc2)cnn1C1CCCC1 935672318 SCGACUPVVAFPSF-UHFFFAOYSA-N 348.450 4.478 0 50 EIAA CCSc1ccccc1NC(=O)c1ccc(CN2CCCC2)o1 952979153 HJJNPTQKYHDXGY-UHFFFAOYSA-N 330.453 4.240 0 50 EIAA O=C(N[C@H](CF)c1ccccc1)c1c[nH]nc1-c1ccc(Cl)cc1 1875262309 AJBCNWWDXCEMTD-MRXNPFEDSA-N 343.789 4.171 0 50 EIAA COc1ccc(F)cc1-c1csc(=Nc2ccc(Cl)nc2)[nH]1 2325704977 FHWIOTMTSJXTBW-UHFFFAOYSA-N 335.791 4.172 0 50 EIAA CNc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccn2)cc1F 2325822870 SNSOTNVUOZFKQW-UHFFFAOYSA-N 335.382 4.106 0 50 EIAA Cc1ccc(C)c(-c2csc(NC(=O)COc3ccccc3)n2)c1 356055 MAZWESFTXJCICO-UHFFFAOYSA-N 338.432 4.444 0 50 EIAA O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 375986 RWJHKSYMLVIAJY-GFCCVEGCSA-N 328.418 4.394 0 50 EIAA COc1c(C(=O)Nc2ccc(NC(C)=O)cc2)ccc2ccccc12 454135 UWUHMCNKLFDJLU-UHFFFAOYSA-N 334.375 4.059 0 50 EIAA CCc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2O)cc1 571991 HXYOGPXYPGYSAA-UHFFFAOYSA-N 334.371 4.148 0 50 EIAA O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccc(F)cc1 612787 BJGJSZUHCLKKLP-FQEVSTJZSA-N 332.378 4.305 0 50 EIAA COC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1115836 IMHZWGDLJSFJCJ-UHFFFAOYSA-N 345.398 4.244 0 50 EIAA C[C@H]1C[C@H](C)CN(CCOCCOc2cccc3ccccc23)C1 4907331 WRHRLSUFTVSSCS-ROUUACIJSA-N 327.468 4.213 0 50 EIAA C[C@@H](CCc1ccc(O)cc1)NCc1ccc(Br)cc1 4985438 VENRHWCVGMCFJY-ZDUSSCGKSA-N 334.257 4.266 0 50 EIAA OC[C@]1(Cc2ccccc2)CCCN(Cc2cccc3cccnc23)C1 12297573 NZLDOEGINURESY-QHCPKHFHSA-N 346.474 4.052 0 50 EIAA CC[C@@H]1CCCCN1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 15634697 BKXIJSTVKQIFLU-GUSKJMBLSA-N 349.559 4.235 0 50 EIAA Cc1cc2cc(CNC[C@]3(c4cccc(F)c4)CCOC3)ccc2[nH]1 20997865 NPWZAWNPIMGBGP-OAQYLSRUSA-N 338.426 4.063 0 50 EIAA CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc2cc(OC)ccc2[nH]1 55154543 VHTCQXJGWZRDGW-AWEZNQCLSA-N 337.423 4.012 0 50 EIAA Cc1nc[nH]c1[C@@H]1CC(=O)Nc2cc3c(cc21)CCc1ccccc1N3 65404337 ANKPBXQZVUOSJF-MRXNPFEDSA-N 344.418 4.034 0 50 EIAA Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@H](O)C2)c1 72480983 LGRFNPSVXWLGEP-NRFANRHFSA-N 346.474 4.475 0 50 EIAA CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(SC)cc2)C1 91493203 XTSZYEMHRPXFEO-CQSZACIVSA-N 344.484 4.036 0 50 EIAA O=C(Nc1cccc(-c2cscn2)c1)N[C@@H]1COC2(CCCC2)C1 96140279 VCFLGMFRDIMMFX-HNNXBMFYSA-N 343.452 4.033 0 50 EIAA CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 100717288 CVTXGQVFZVMYEC-MRXNPFEDSA-N 338.411 4.195 0 50 EIAA CC[C@H](C)n1ncc(C(=O)Nc2cccc(-n3ccnc3)c2)c1C1CC1 120624673 XQVSXEDJMIXIQZ-AWEZNQCLSA-N 349.438 4.170 0 50 EIAA COCc1c(Br)cccc1NC(=O)c1sccc1C 127747384 ZJJUCUVAPPNXAA-UHFFFAOYSA-N 340.242 4.218 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@]43C)OCCO5)[C@H]1CCC2=O 253500749 USGKSIJYOHEDEV-GNVJSZRZSA-N 330.468 4.261 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(C(F)(F)F)ccc1F 263536951 ZVSPQHSVBITLPQ-LKTVYLICSA-N 345.336 4.062 0 50 EIAA CCC[C@H](NC(=O)Nc1ccc2oc(C)cc2c1)c1nccn1C 299768465 OUDQQHNHPRUFRB-HNNXBMFYSA-N 326.400 4.138 0 50 EIAA N=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C1CCC(c2ccccc2)CC1 329898681 DZAKGGAREIHIRI-DUBPFDJUSA-N 340.467 4.123 0 50 EIAA CC(C)[C@@H](N[C@H](C)C(=O)Nc1nccs1)c1ccc(Cl)cc1 433782627 JWKRZAABCUVYJB-BXUZGUMPSA-N 337.876 4.110 0 50 EIAA Clc1ccc(-c2noc(-c3cccc(Nc4ncccn4)c3)n2)o1 683596920 XUJRBONDVYJRIC-UHFFFAOYSA-N 339.742 4.184 0 50 EIAA CCc1nc2ccccc2n1Cc1noc([C@@H]2C[C@H]2c2ccccc2)n1 809454603 MIENWDFKPXZYFO-JKSUJKDBSA-N 344.418 4.301 0 50 EIAA CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1cc(O)ccc1F)CCO2 872062635 IFWRIXLURSTFGV-XIKOKIGWSA-N 331.387 4.104 0 50 EIAA CC1(C)CN(c2ccc(NCc3nc4ccccc4s3)cc2)C1=O 1875376282 RCFCPZAPSXMXHU-UHFFFAOYSA-N 337.448 4.281 0 50 EIAA CCC[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(Oc2ccccc2)cc1 2325822058 AGAMSQIZZQNIQA-YLJYHZDGSA-N 338.451 4.140 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Oc2ccc(Cl)cc2C)cc1 399728 LVHXHCKFWZKZTA-UHFFFAOYSA-N 333.771 4.436 0 50 EIAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 456451 QUBDAKZNOSKPAB-CRALRDPISA-N 344.436 4.025 0 50 EIAA COc1ccccc1-c1nnc(NC(=O)Nc2ccc(C)cc2)s1 1307448 RPUITAHGYMCKGL-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA C=C1C[C@@H]2[C@H]3CC[C@@](O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 2495308 JKPFAFOFFYRBDB-NDDOAYCYSA-N 342.479 4.005 0 50 EIAA Cc1cc(C)cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c1 2761407 ALCATROHDFSXBI-UHFFFAOYSA-N 329.787 4.047 0 50 EIAA CCOc1ccccc1NC(=O)CCc1ccc(OC)c(Cl)c1 4542040 YWPQLCHNBZDCRG-UHFFFAOYSA-N 333.815 4.319 0 50 EIAA Cc1ccc(SCC(=O)NCCSCc2ccccc2)cc1 4702120 LUJUFQDQACYSAQ-UHFFFAOYSA-N 331.506 4.137 0 50 EIAA CCC(CC)C(=O)N(Cc1cccc(OC[C@@H]2CCCO2)c1)C1CC1 11965647 HNJZEOPRUCCJLT-FQEVSTJZSA-N 345.483 4.172 0 50 EIAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NCc1ccsc1 12298061 VZDQPSHHBNAVMM-OAHLLOKOSA-N 344.528 4.468 0 50 EIAA OC[C@@]1(CCc2ccccc2)CCCN(Cc2ccc(F)cc2)C1 12584549 MDQMBLZIWDVTHT-OAQYLSRUSA-N 327.443 4.033 0 50 EIAA Cc1ccccc1-c1cnnc(N[C@@H](C)Cn2ccc3ccccc32)n1 20999349 QYYUHVUZZSEVGK-INIZCTEOSA-N 343.434 4.302 0 50 EIAA CCN(CCc1ccccn1)Cc1cnc(Nc2ccccc2)s1 23251067 BVDBYDNOKHCYGY-UHFFFAOYSA-N 338.480 4.346 0 50 EIAA Cc1cc(Br)c(I)cc1Cl 65337155 GDJJZCBMGAOLJR-UHFFFAOYSA-N 331.378 4.016 0 50 EIAA in-vitro Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H](C)c1nccs1 65417341 KTKKOQOSLBHSBS-AWEZNQCLSA-N 331.485 4.206 0 50 EIAA CC(=O)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67540235 ZBEVHFVCOLLPHE-UHFFFAOYSA-N 339.416 4.015 0 50 EIAA Cc1nc(C(C)C)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 71762772 PUNQZVWYRDDFDR-KRWDZBQOSA-N 331.847 4.140 0 50 EIAA O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@H]1c1ccccc1F 110567677 ZDPFMJGASHZKJV-BBTUJRGHSA-N 346.405 4.230 0 50 EIAA CC(C)Oc1cccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)c1 123456249 UTMLUEDJWNJVID-UHFFFAOYSA-N 336.435 4.156 0 50 EIAA Cc1c(F)cccc1Nc1ncncc1-c1nc(-c2ccccc2)no1 169775523 HIEBYVOPCIILSX-UHFFFAOYSA-N 347.353 4.385 0 50 EIAA Cc1nc2c(C)cccc2cc1C(=O)N(C)[C@@H](c1ccccn1)C1CC1 215915775 YUCIPKYTBNWZPV-OAQYLSRUSA-N 345.446 4.470 0 50 EIAA c1ccc2oc(N[C@H]3COC[C@@H]3Cc3ccnc4ccccc34)nc2c1 1616078020 MNVZLYXBBOXADH-KXBFYZLASA-N 345.402 4.046 0 50 EIAA CCOP(=O)(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)OCC 1776004534 UGKIHSUCWKXRNY-AWEZNQCLSA-N 347.417 4.218 0 50 EIAA O=C(N[C@@H]1C[C@@H]1C1CCCC1)N1CCCCC[C@H]1c1ccncc1 1875335876 JSFWGYVYGXBBNW-QRVBRYPASA-N 327.472 4.287 0 50 EIAA CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 250089 ICXNBZUTYKMQGL-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 435830 HFNNYLVEMXKNIZ-UHFFFAOYSA-N 328.368 4.210 0 50 EIAA CCN(CC)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1 621480 IJAMPUSKECGEIE-UHFFFAOYSA-N 325.412 4.379 0 50 EIAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 3843683 XNJOZXWLEFEFEX-NIPLRTIXSA-N 334.500 4.133 0 50 EIAA biogenic CCOc1ccc(NC(=O)c2sccc2Br)cc1 4541998 FAMYXLJTNDLZIB-UHFFFAOYSA-N 326.215 4.162 0 50 EIAA CCCCOc1c(CN[C@@H](C)c2ncccc2C)cccc1OC 55310116 PPIWPJFOKZUKJI-INIZCTEOSA-N 328.456 4.428 0 50 EIAA CCn1cncc1Cn1cnc(-c2ccccc2)c1-c1cccc(C)n1 65376177 MJRKELDPGKVXBI-UHFFFAOYSA-N 343.434 4.185 0 50 EIAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(CCCF)C2 67872862 DMGNCUPAKPQVQR-UHFFFAOYSA-N 335.806 4.267 0 50 EIAA Cc1c(Cl)cc(C(=O)N2CCC3(CCOCC3)CC2)cc1Cl 95382178 MESZXHPSXZQOGO-UHFFFAOYSA-N 342.266 4.335 0 50 EIAA COc1ccc(CCN(C)CC2=CC[C@H]3C[C@H]2C3(C)C)cc1OC 100411866 WOTZEEXGWOPWQP-ZWKOTPCHSA-N 329.484 4.171 0 50 EIAA O=S1(=O)C[C@]23CC=CC[C@@]2(CC[C@H]2CC[C@H]4CCCC[C@H]4[C@@H]23)C1 101050657 URACDKFMGOHETL-PJBUMPDVSA-N 334.525 4.364 0 50 EIAA COc1ccc(F)c(NC2CCC3(CC2)C(=O)Nc2ccccc23)c1 179797216 AZIOTLPKBSWHDL-UHFFFAOYSA-N 340.398 4.079 0 50 EIAA O=C(c1cc2cc(F)ccc2s1)N1CCC([C@H]2CCCO2)CC1 187606359 QUBTYQBFWNNOMY-OAHLLOKOSA-N 333.428 4.072 0 50 EIAA CCC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]21 226946782 KLOBYBBPFARQIW-KNCCTNLNSA-N 341.838 4.296 0 50 EIAA CCCc1cc(=O)oc2cc(Oc3nc([C@H](C)OC)ns3)ccc12 253396549 CUGNAQYKVNGWGZ-JTQLQIEISA-N 346.408 4.097 0 50 EIAA c1ccc([C@H]2CCN2Cc2ccc(OCCN3CCCC3)cc2)cc1 676413569 DDUUUPNWQMLPSV-JOCHJYFZSA-N 336.479 4.108 0 50 EIAA CC(=O)Nc1cc(NC(=O)N2CCCCc3ccccc32)ccc1C 766264112 LOERNJARPHDVHE-UHFFFAOYSA-N 337.423 4.328 0 50 EIAA CC(C)=CCC[C@@H](C)CC(=O)Nc1ccccc1[C@@H]1CNC(=O)C1 2325800240 ZLHOLPACCCVWJK-CVEARBPZSA-N 328.456 4.001 0 50 EIAA COc1cc(NC(=O)c2cc3ccccc3o2)c(OC)cc1Cl 133064 RITDXXBMPCGLFR-UHFFFAOYSA-N 331.755 4.356 0 50 EIAA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1 168916 VAJRYPIRUMVUAY-UHFFFAOYSA-N 348.431 4.351 0 50 EIAA COc1cc(OC)cc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1 191234 ZKXNUEGPUBZQMT-UHFFFAOYSA-N 342.420 4.183 0 50 EIAA COc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 455631 WFPGGEDQMBPXIZ-UHFFFAOYSA-N 343.386 4.262 0 50 EIAA O=C(CCCCC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 1807198 OTKGPFNHHGJECN-UHFFFAOYSA-N 332.350 4.102 0 50 EIAA CCC1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 2297100 ITLVWOZZEGYRFW-UHFFFAOYSA-N 343.254 4.017 0 50 EIAA O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccccc1 2475751 SSVWWFMEXAOUFD-UHFFFAOYSA-N 330.796 4.365 0 50 EIAA CC(C)(C)OC(=O)n1cc(I)c2ccccc21 2563797 LOFWPZQNSUAMCV-UHFFFAOYSA-N 343.164 4.029 0 50 EIAA in-vitro C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)O 5123756 PZTHSMGDNLMKFV-JTQLQIEISA-N 335.812 4.158 0 50 EIAA C[C@@H]1CCc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1 13331299 QQGRBJGTCLRSDW-SSDOTTSWSA-N 342.798 4.452 0 50 EIAA CCCCn1nc(C)c2c(C(=O)OC)cc(-c3cccs3)nc21 13961180 MHVFPJFMLZNPIY-UHFFFAOYSA-N 329.425 4.055 0 50 EIAA Cc1ccccc1CNC(=O)c1cc(C[C@H](C)c2ccccc2)no1 14878589 NQGPXPKOFQGXLE-INIZCTEOSA-N 334.419 4.259 0 50 EIAA CCCN1CCC(NC(=O)c2csc(C)c2-c2ccccc2)CC1 16604823 FBMPBECADSXOPF-UHFFFAOYSA-N 342.508 4.328 0 50 EIAA CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cccc(Cl)c1Cl 22780425 UKSJJGUEFDJHHY-XOKHGSTOSA-N 342.266 4.208 0 50 EIAA Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2nc1C 55540911 VSYWOCDAYOGRAN-FQEVSTJZSA-N 349.409 4.363 0 50 EIAA CCN(CC)CCn1cnc(-c2ccccc2)c1-c1cnc(C)s1 65399114 RLQCLFNNUKWKDG-UHFFFAOYSA-N 340.496 4.324 0 50 EIAA c1ccc(CCCc2noc(-c3ccc(-c4ccc[nH]4)nc3)n2)cc1 72150666 UMRXQVZJVGRIOS-UHFFFAOYSA-N 330.391 4.302 0 50 EIAA Fc1ccccc1CN1CCC[C@@H](c2nccn2CC2CCC2)C1 95366437 MJEGEYCIPOSDFE-GOSISDBHSA-N 327.447 4.202 0 50 EIAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 95497169 JDOZPXCHPONKRZ-ZDUSSCGKSA-N 349.837 4.276 0 50 EIAA CSc1nn2c(C)cc(C)nc2c1-c1cc(-c2ccc(C)cc2)n[nH]1 214080873 SMVCZAAQUUVPND-UHFFFAOYSA-N 349.463 4.434 0 50 EIAA Cc1cccc(Cl)c1CC(=O)O[C@H](C)c1nc2ccccc2n1C 225418264 XDQAHGCKIBSKCL-CYBMUJFWSA-N 342.826 4.382 0 50 EIAA C[C@H]1c2cc(F)ccc2CCN1C(=O)c1ccc(N2CCCC2)cc1 299772892 BFOLVDCRJLNHOP-HNNXBMFYSA-N 338.426 4.185 0 50 EIAA CC(=O)c1csc(NC(=O)c2cccc(SC(F)(F)F)c2)n1 1353707224 NHSUXJCQCWCLLM-UHFFFAOYSA-N 346.355 4.210 0 50 EIAA Cc1nc(C)n(CCCN[C@H](Cc2ccccc2)C2CCCCC2)n1 1506422951 STBHFQAYIAAZQO-OAQYLSRUSA-N 340.515 4.066 0 50 EIAA CC(C)c1nc(-c2nccn2[C@@H]2CCN(Cc3ccccc3)C2)co1 1857699743 XFEKVWPQJHBKJI-QGZVFWFLSA-N 336.439 4.109 0 50 EIAA O=C(N[C@@H]1CCCCc2ccccc21)c1c[nH]nc1-c1ccccc1F 1875349099 MLVSWANFVJWHAM-LJQANCHMSA-N 349.409 4.413 0 50 EIAA CC(=O)Oc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1 207208 GYALYUIGFBSLAL-UHFFFAOYSA-N 326.377 4.185 0 50 EIAA FC(F)(F)c1cc(-c2ccco2)nc(NCCc2ccccc2)n1 213264 RKVNKRKTJZOCBT-UHFFFAOYSA-N 333.313 4.410 0 50 EIAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 309327 QDCJSYJXIBSJSV-SNVBAGLBSA-N 335.812 4.188 0 50 EIAA COc1ccc([C@H](C)NC(=O)C[C@H](C)c2ccccc2)cc1OC 519880 VPRHXMASMQZGOF-GJZGRUSLSA-N 327.424 4.075 0 50 EIAA CC(=O)Nc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 2880082 HUMZBSMIXUXDMC-CYBMUJFWSA-N 328.437 4.073 0 50 EIAA CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 3443730 FCYFVAXLPPJBDU-CYBMUJFWSA-N 331.799 4.257 0 50 EIAA CC[C@H](C)Sc1nnc(NC(=O)CSc2ccccc2)s1 4731663 ASOLDDZRFSLQEC-JTQLQIEISA-N 339.511 4.160 0 50 EIAA CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc21 4734430 YJIJTUKSVKZHOY-UHFFFAOYSA-N 343.448 4.370 0 50 EIAA CCCN1CCC(NC(=S)Nc2ccc([C@H](C)CC)cc2)CC1 5041968 OGXPXIBOSCLNSV-OAHLLOKOSA-N 333.545 4.361 0 50 EIAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 19742630 LTSFYNVHZVHYLM-OAHLLOKOSA-N 347.890 4.347 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1OC 36620902 ZJFDWCPWYCDQMN-KRWDZBQOSA-N 340.423 4.381 0 50 EIAA Cc1nc(-c2c(-c3ccccc3)ncn2CCCCN2CCCC2)c[nH]1 65372137 UFGCZCCEWZZARR-UHFFFAOYSA-N 349.482 4.125 0 50 EIAA Cc1ccc(-c2nc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2C)cc1 67630496 KPZDCXZHTWBGGQ-GJZGRUSLSA-N 340.448 4.107 0 50 EIAA CC1(C)C[C@](CCNc2nnc(C3CC3)o2)(c2ccccc2)CCO1 91440471 GAWIQWAXIMOYEY-HXUWFJFHSA-N 341.455 4.276 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)[C@@H](C)c3c(C)n[nH]c3C)c(C)c2c1 91755289 DAJAKYCIPKBQMR-HNNXBMFYSA-N 338.455 4.266 0 50 EIAA Fc1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1F 109566100 LODLNYTVUFTFBH-UHFFFAOYSA-N 342.349 4.067 0 50 EIAA O=C(CC[C@@H]1CCCOC1)Nc1ccccc1CCC(F)(F)F 156725717 PRMSMEMRYXQMQK-ZDUSSCGKSA-N 329.362 4.327 0 50 EIAA O=C(Nc1ccccc1Cl)N1CC[C@@]2(C1)OCc1ccccc12 185928323 KUGQTAFHVAZSDX-SFHVURJKSA-N 328.799 4.003 0 50 EIAA O=C(N[C@H](c1ccccc1F)C1CCCC1)c1c[nH]nc1C1CC1 190617496 SNZZGFKXPMXZCC-KRWDZBQOSA-N 327.403 4.088 0 50 EIAA CCOc1ccc(-c2ccc(CN(C)[C@@H](C)c3ccncn3)o2)cc1 216455529 CTYGLOPCFMEHPH-HNNXBMFYSA-N 337.423 4.328 0 50 EIAA C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](c2nc3ccccc3o2)C1 229260597 IMHBYQMFUUXUMU-GXTWGEPZSA-N 338.411 4.029 0 50 EIAA CC1(C)CCC(CC(=O)N2CCC(F)(c3ccccn3)CC2)CC1 328591677 MEBGYKPIXWUOPQ-UHFFFAOYSA-N 332.463 4.475 0 50 EIAA Cc1cnccc1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 426530371 FJJOBGYMRGIOQU-LJQANCHMSA-N 338.451 4.088 0 50 EIAA Cn1c(-c2ccc(Oc3cnccn3)cc2)nc2cccc(Cl)c21 438824456 DPLYMIAKQFKDQJ-UHFFFAOYSA-N 336.782 4.476 0 50 EIAA COc1ccccc1OCc1nc(C2CC2)nn1C1CCCCC1 584890526 WCANVYZWOXRGTB-UHFFFAOYSA-N 327.428 4.248 0 50 EIAA CCc1ccc(-n2nc(CC)nc2Cc2nc(C)sc2C)cc1 1875348639 XNXXBITVXMZWBF-UHFFFAOYSA-N 326.469 4.056 0 50 EIAA CC[C@@H](NC(=O)c1ccc(O)nc1C(C)C)c1ccc(C)c(C)c1 2356164054 CGTHZFKIIZZNPY-QGZVFWFLSA-N 326.440 4.409 0 50 EIAA CC(=O)c1c(C)nc(-c2ccc(OCc3ccccc3F)cc2)n1O 32901 JIFBNEAZSDQMDT-UHFFFAOYSA-N 340.354 4.017 0 50 EIAA CCSc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 312300 MFMYSTBMTNOVIV-WUXMJOGZSA-N 343.448 4.468 0 50 EIAA CCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 456374 ZIZYOELBFDEORG-UHFFFAOYSA-N 339.420 4.026 0 50 EIAA O=C(CCc1ccccc1)Nc1ccc(COCC(F)(F)F)cc1 1107057 KOTPHNOATXTRFA-UHFFFAOYSA-N 337.341 4.337 0 50 EIAA CC[C@H](C)n1c(S)nnc1-c1cccc(OC(F)(F)C(F)F)c1 2791919 PIDCMGPDJDTSSJ-QMMMGPOBSA-N 349.353 4.442 0 50 EIAA CCCCNC(=O)c1ccccc1-c1nc(-c2cccc(C)c2)no1 4825433 JILSFOOAJKGOII-UHFFFAOYSA-N 335.407 4.242 0 50 EIAA CCC(CC)C(=O)N(Cc1ccc(OCC2(C)COC2)cc1)C1CC1 12244115 OMIZBIBFIRSDKA-UHFFFAOYSA-N 345.483 4.029 0 50 EIAA CCCN(C/C=C/c1ccccc1)C(=O)c1cc(=O)c2ccccc2[nH]1 55254332 FEEOHVPOAPCOHD-DHZHZOJOSA-N 346.430 4.094 0 50 EIAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)CCCC(=O)O 64859600 VPXVODYVPILPRC-MTJQIUNSSA-N 336.472 4.158 0 50 EIAA in-vitro OCCn1cnc(-c2ccccc2)c1-c1cnc(-c2ccccc2)s1 65463894 ALWXTYMQASKRBC-UHFFFAOYSA-N 347.443 4.333 0 50 EIAA COc1cc(CN2CCCC2)ccc1Oc1ccc(NC(C)=O)cc1 67856239 MAHWQFDKBSOZJI-UHFFFAOYSA-N 340.423 4.042 0 50 EIAA O=C1C[C@@H](c2ccccc2)CN1Cc1ccc(C(F)(F)F)cc1F 95500970 VBSRIYIXPYPPQP-CQSZACIVSA-N 337.316 4.361 0 50 EIAA Cc1cncc(/C=C/C(=O)Nc2scnc2-c2ccc(F)cc2)c1 126308181 SQXMFTGSUKYPSB-FARCUNLSSA-N 339.395 4.305 0 50 EIAA Clc1cccc2ccc(CN3CCN(C4CCCCC4)CC3)nc12 215444542 RIRDGRLZTSXAOR-UHFFFAOYSA-N 343.902 4.339 0 50 EIAA CCC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cccc(OC)c1 328599646 SRLZPKVDLKWONK-SFHVURJKSA-N 342.826 4.436 0 50 EIAA Cc1nc([C@H]2CCCN(Cc3cccc(-c4ccccc4)c3)C2)n[nH]1 355173123 JADOKJXIZHFFKH-FQEVSTJZSA-N 332.451 4.160 0 50 EIAA CCn1ncc(CN(C)C(=O)[C@H](c2ccccc2)C2CCCC2)c1C 426621616 JMNPYBQRHXVWTQ-HXUWFJFHSA-N 339.483 4.144 0 50 EIAA CCC[C@H]1C[C@@H](c2nc(Cc3ccc(C)nc3Cl)no2)CCO1 864096523 CSIXONBNDVLUAF-KBPBESRZSA-N 335.835 4.080 0 50 EIAA C[C@@H](NCc1csc(-c2ccc(Cl)cc2)n1)c1ccnn1C 865839839 VDRYRANVKRZODK-LLVKDONJSA-N 332.860 4.048 0 50 EIAA CC(C)c1cnc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)s1 931085882 XCUYDFIBARSUIT-CQSZACIVSA-N 331.441 4.341 0 50 EIAA CCc1nccn1C[C@@H](C)NCCc1c(C)[nH]c2c(C)c(C)ccc12 1506402311 MZEOQUGFKLOCCS-OAHLLOKOSA-N 338.499 4.073 0 50 EIAA CN(Cc1ccc2ncccc2c1)C(=O)c1cnoc1-c1ccccc1 1506423241 DOYJUGUGMMCCCA-UHFFFAOYSA-N 343.386 4.162 0 50 EIAA C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccc2c(c1)CCC2 1875255294 HGBYXXFHUXBYSA-AWEZNQCLSA-N 331.419 4.056 0 50 EIAA CCC1CCC([C@@](C)(O)CNCc2cnc3c(F)cccc3c2)CC1 2325841816 GZYCCYFLNALYLC-RVAKQSJFSA-N 344.474 4.431 0 50 EIAA Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 101859 ZQPJPYCOKSOJRT-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)ccc1C 145315 HMXNSQPLQMAWTG-UHFFFAOYSA-N 333.815 4.291 0 50 EIAA O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccccc1F 172996 OGHNJJDPWLOSQM-UHFFFAOYSA-N 333.384 4.107 0 50 EIAA Cc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccccc4)nc3C2)cc1 193867 POMFVZAPCIARRL-SFHVURJKSA-N 343.430 4.310 0 50 EIAA O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1cccc(F)c1 361367 SXHJCTICBLQYQS-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA O=C(CSc1nnc2sc3ccccc3n12)c1ccccc1F 390185 ZDVUQLNPUCRFPA-UHFFFAOYSA-N 343.408 4.058 0 50 EIAA Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c(C)c1 1171152 JGCXDAYELGNGAY-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA CC[C@H](COC(=O)Nc1cccc(C)c1C)NC(=O)OCC(C)C 2872909 FZOQNKPLWGEAQZ-OAHLLOKOSA-N 336.432 4.013 0 50 EIAA COc1cc(C=O)ccc1OCCOc1cccc(Cl)c1Cl 2985161 HHAQPNNTSAMJLR-UHFFFAOYSA-N 341.190 4.272 0 50 EIAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1C 11938587 ZACVCRIYQGVGDH-LJQANCHMSA-N 326.415 4.159 0 50 EIAA OC[C@]1(Cc2ccccc2F)CCCN(CCCC2CCCC2)C1 14980791 VTLWXNORVDNMAS-NRFANRHFSA-N 333.491 4.413 0 50 EIAA S=C1NCN(C2CCCCC2)CN1c1cccc2ccccc12 20190659 FDGISCLREQOXQG-UHFFFAOYSA-N 325.481 4.084 0 50 EIAA Cc1ccc([C@@H](C)CCN2CCN(C/C=C/c3ccccc3)CC2)o1 22077636 NZBLGFWBINALSB-AIADIJKESA-N 338.495 4.413 0 50 EIAA Cc1csc2c(-c3ccc([C@H](C)N4CCOCC4)cc3)ncnc12 67690930 HWSUPOUHHGJBGD-AWEZNQCLSA-N 339.464 4.060 0 50 EIAA Cc1ccc2cccnc2c1OCc1nc(COc2ccccc2)no1 72154972 PRMLIWYQLIEPRN-UHFFFAOYSA-N 347.374 4.084 0 50 EIAA Cc1cccc([C@H](C2CC2)n2ccnc2-c2nc3ccccc3n2C)n1 77284907 WPKIERXZHROFSJ-IBGZPJMESA-N 343.434 4.140 0 50 EIAA CC(=O)c1cc(CC(=O)NC[C@H](C)c2ccc(Cl)cc2)cs1 97514415 JWCDHEANHSOQCZ-NSHDSACASA-N 335.856 4.067 0 50 EIAA CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H](C)Oc1ccccc1)CCC2 119220440 BLFVSOJESGSMGB-XJKSGUPXSA-N 344.480 4.009 0 50 EIAA Cc1cc(NC(=O)c2sccc2C)ccc1NC(=O)c1ccco1 154905560 ILSZXRNBFNWWFY-UHFFFAOYSA-N 340.404 4.463 0 50 EIAA Cc1ccc(-c2cnn(CC(=O)Nc3ccc(Cl)cc3C)c2)cc1 170604179 YYLQHIZGDQYDTC-UHFFFAOYSA-N 339.826 4.459 0 50 EIAA C[C@H]1C[C@H](N[C@H](C)c2ccc(Br)c(F)c2)C[C@@H](C)O1 239672745 BVAGBFMRUZCRAY-LSCVPOLPSA-N 330.241 4.195 0 50 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c1ccc(COc2cccc(-c3nc(-c4ccccn4)no3)c2)cc1 6730187 QOJIWUIHPGJBNH-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 10460672 BVPWGNHKUVPFDN-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)NC1CCCCC1 12404265 YOSODGNBYVMKPO-UHFFFAOYSA-N 343.471 4.157 0 50 EIAA CCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1 18203271 HXSCJYPVJVLMTR-AWEZNQCLSA-N 333.391 4.288 0 50 EIAA C[C@H](CCCC(C)(C)O)CCNC[C@H]1CCN(c2ccccc2)C1 32582129 HVSLWNDFMZVPDM-RTBURBONSA-N 332.532 4.070 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)cc1O 71758791 WHLRKYCKQKDSBQ-SFHVURJKSA-N 337.463 4.494 0 50 EIAA O=C(c1ccccc1OC(F)F)N1CC[C@H](c2ccc(F)cc2)C1 77377983 WVJUFNPFJXVKLL-ZDUSSCGKSA-N 335.325 4.057 0 50 EIAA Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@H](C)c1cccs1 153594633 ZUZWTCFFYNLICA-CQSZACIVSA-N 337.448 4.347 0 50 EIAA Cc1ccnc(Oc2cc(NC(=O)c3ccc(CN)cc3)ccc2C)c1 170678136 SRHDJLQXGUMUCS-UHFFFAOYSA-N 347.418 4.202 0 50 EIAA Fc1cccc(-c2cnc(CN3CCC(OC4CCCC4)CC3)o2)c1 175143938 KJLSSEATOOSPAL-UHFFFAOYSA-N 344.430 4.404 0 50 EIAA CCc1nc2ccccc2n1C1CCN(c2ccc(C(C)=O)cn2)CC1 180027728 AKGDITICGZJISN-UHFFFAOYSA-N 348.450 4.038 0 50 EIAA Cc1ccc(-c2nnc(NCc3cc(F)c(F)cc3F)o2)c(C)c1 225430730 KQNWCCTUINNNJR-UHFFFAOYSA-N 333.313 4.383 0 50 EIAA COc1ccc(-c2csc(-c3ccsc3)n2)c2c1C(=O)CO2 225519869 GUPITPCFCIZJIU-UHFFFAOYSA-N 329.402 4.122 0 50 EIAA CC(C)CCn1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)n1 242106183 WHSIVBGFYTYUFU-GFCCVEGCSA-N 346.397 4.124 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCC[C@H]1C 242839291 FVAOBAAJFRWURS-SUNKGSAMSA-N 330.255 4.456 0 50 EIAA CC(=O)N[C@H](CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cccs1 252680164 WUHGQARSDWIAGE-NPNMTCQASA-N 349.496 4.073 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21C=CC(=O)O1 257355911 DMEFWCRLNXTGFD-LBCMOLISSA-N 342.479 4.162 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)c2c(C)oc3c2C(=O)CCC3)c(C)s1 299792771 GWYSJSVSQFHCQB-VIFPVBQESA-N 346.452 4.014 0 50 EIAA Cc1ccc(OC(F)F)c([C@H](C)NCc2nnc(C3CC3)s2)c1 414323566 JBILRVCDICDHCC-JTQLQIEISA-N 339.411 4.176 0 50 EIAA O=C(c1c[nH]c2ccc(Br)cc12)N1CCC2(CCC2)CC1 672256144 LQLBUOISVQIWTA-UHFFFAOYSA-N 347.256 4.337 0 50 EIAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)CC1CCCC1 828072064 GBXNIHVFFVSPPK-HNNXBMFYSA-N 328.456 4.220 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3C)C[C@@H]21 1704301101 JNZTXLRINNXQKH-QIIPPGSGSA-N 336.863 4.053 0 50 EIAA Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccncc2)n1 1776002569 SGMYCXOGZFLMJI-UHFFFAOYSA-N 347.205 4.135 0 50 EIAA O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CC[C@@H]2CCC[C@@H]21 1857700441 URTYUPRAVXANMH-UBHSHLNASA-N 327.346 4.028 0 50 EIAA O=C(NC[C@@H]1C[C@H]1c1cccs1)c1cc(-c2ccc(F)cc2)on1 1857799260 UCGRMTNQONRTOI-GXTWGEPZSA-N 342.395 4.076 0 50 EIAA CC1(C(=O)O)CC(N[C@@H](CCc2ccccc2)Cc2ccccc2)C1 1875291962 REXDMPIBKDVWOY-YMISUZCDSA-N 337.463 4.073 0 50 EIAA CC[C@H](NC[C@@H](CO)Cc1ccccc1C)[C@@H](C)Cc1ccccc1 2325841092 CJGKONLEQPNIAO-RRPUWOKSSA-N 339.523 4.393 0 50 EIAA Clc1ccc(Cn2nnc(-c3ccccc3Cl)n2)c(Cl)c1 70588 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Cc1nn(C(C)C)c(C)c1CN1CCCN(CC2CC2)[C@H](C(C)C)C1 71751157 AYIHNVOHDOMBBE-NRFANRHFSA-N 346.563 4.023 0 50 EIAA Cc1ccc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nn1 72434098 ZOQIOOZAALCDJO-UHFFFAOYSA-N 340.333 4.059 0 50 EIAA CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1cccc2ccccc12 101348371 IATZVCSONYEVMW-LJQANCHMSA-N 328.371 4.061 0 50 EIAA N[C@H](CC1CCCCC1)c1cccc(I)c1 125898143 WHIYTFODUFBWGA-CQSZACIVSA-N 329.225 4.261 0 50 EIAA CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 170630999 XWTYHSMLXUVXJY-OITRNQOZSA-N 333.516 4.160 0 50 EIAA COc1cccc(CO[C@@H](C)C(=O)Nc2c(C)cccc2Cl)c1 174419284 XBLCICASDNVOCM-ZDUSSCGKSA-N 333.815 4.201 0 50 EIAA C[C@H](N[C@@H](C)c1ccncc1F)c1ccc2c(c1)COC(C)(C)O2 253416004 IZUOULLTUYRLRB-STQMWFEESA-N 330.403 4.278 0 50 EIAA CC(C)c1ccc2occ(C(=O)N3CC[C@H](O)C34CCCC4)c2c1 329252080 VFMVKFRLRUNZCF-SFHVURJKSA-N 327.424 4.076 0 50 EIAA CC(C)c1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)c(O)c1 332137834 QFLDHETYLDQFPA-UHFFFAOYSA-N 338.451 4.006 0 50 EIAA Cc1ccc(C2CCN(C(=O)[C@@]3(C)CCc4ccccc4C3)CC2)cn1 341233398 AWOHTJFKYRCHIA-QHCPKHFHSA-N 348.490 4.291 0 50 EIAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccccc1C(C)(F)F 455786972 JYUUUSTXVXWSEH-MEDUHNTESA-N 332.350 4.442 0 50 EIAA CCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2noc(C3CC3)n2)cc1 1506399787 QAKKTDYBCUPQGE-QGZVFWFLSA-N 337.423 4.185 0 50 EIAA CC(C)c1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@H](N)C3)n2)cc1 1529186205 AXHYDJKQBGDTEA-CVEARBPZSA-N 343.496 4.390 0 50 EIAA CCc1ccc(-c2cc(NC(=O)[C@@H](OC)c3ccccc3)on2)cc1 1875258268 WKLDQOFONXLENP-IBGZPJMESA-N 336.391 4.230 0 50 EIAA CN(C)c1cccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c1 2325824139 QOGOTEPUHKNOGA-UHFFFAOYSA-N 330.844 4.090 0 50 EIAA CC1CCC([C@@](C)(O)CNCc2cnc3c(F)cccc3c2)CC1 2325841249 LEJQNGZTFQDHEH-GAGFWEIESA-N 330.447 4.041 0 50 EIAA CC1=CC(C)(C)N(C(=O)CSc2nccn2C)c2cc(C)ccc21 85323 IZGOPRAATZNWCX-UHFFFAOYSA-N 341.480 4.049 0 50 EIAA COc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 94858 KIXCTXHPNORXIK-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccccc1NC1=C(Cl)C(=O)N(c2cccc(C)c2C)C1=O 101428 PEDZJJNTPPKBOR-UHFFFAOYSA-N 340.810 4.048 0 50 EIAA C[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 278053 CYXHKFCPUQJJSD-MEDUHNTESA-N 343.224 4.339 0 50 EIAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1F 616135 FXXOYHDXSTVVPO-UHFFFAOYSA-N 331.350 4.393 0 50 EIAA COc1ccc(C)cc1S(=O)(=O)Oc1c(Cl)cccc1Cl 2999654 BEBQPJOMWYGUAY-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccccc1Cl 3582961 PLHLRIDQHXBFQJ-UHFFFAOYSA-N 342.870 4.233 0 50 EIAA COc1c(C)cccc1C(=O)Nc1ccc(Br)cc1F 4869239 OZQZVOIPVXXPTH-UHFFFAOYSA-N 338.176 4.158 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1 6698482 SSJIXUFZQCVUIK-UHFFFAOYSA-N 331.803 4.275 0 50 EIAA Fc1ccccc1[C@@H]1CN(Cc2ccncc2)Cc2ccccc2O1 19608593 NLXUQVAFBSAJNJ-NRFANRHFSA-N 334.394 4.357 0 50 EIAA O=C(C1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20149592 SOGUJCHIIYGCNK-UHFFFAOYSA-N 348.490 4.110 0 50 EIAA O=C(c1ccccc1-c1ncc[nH]1)N(Cc1ccco1)Cc1ccco1 20203317 KWERMNBNSYWWQA-UHFFFAOYSA-N 347.374 4.105 0 50 EIAA OC[C@]1(CCc2ccccc2)CCCN(c2ccc3ccccc3n2)C1 67714837 JLCUDRFLTQDLQS-QHCPKHFHSA-N 346.474 4.447 0 50 EIAA COc1cccc(Oc2ccc(-n3ccnc3-c3ccoc3)cn2)c1 71763896 BBTQHPCAXWDGRF-UHFFFAOYSA-N 333.347 4.328 0 50 EIAA CCCc1ccc2oc(C(=O)N(CC)CCn3cccn3)c(C)c2c1 77424815 CFEHTJHLJUZQEA-UHFFFAOYSA-N 339.439 4.053 0 50 EIAA c1ccc(-c2csc(CNc3nccc(-c4cccnc4)n3)n2)cc1 96148814 AOBPYVAEVAYSLO-UHFFFAOYSA-N 345.431 4.274 0 50 EIAA Cc1cc2cc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)ccc2o1 97532684 PLTOTEMQWJKBFN-UHFFFAOYSA-N 339.439 4.408 0 50 EIAA COCOCCCC1=C[C@@]2(C)[C@@H](O[C@@H]3CCCCO3)C[C@H]1C2(C)C 101083383 CQTREKVZRJXWPL-RMJJICAUSA-N 338.488 4.291 0 50 EIAA CCc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)o1 170615599 QQLWKNCJAAHNMZ-OAHLLOKOSA-N 326.440 4.469 0 50 EIAA Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCn4ccnc4C3)cc2)c1 178469732 SMHGNFQMRGOMMY-MRXNPFEDSA-N 347.418 4.185 0 50 EIAA C[C@H]1c2cccn2CCN1Cc1cccc(OCc2ccccn2)c1 179569495 MFIVGCYHXAVTDP-KRWDZBQOSA-N 333.435 4.039 0 50 EIAA CC(C)[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ncc[nH]1 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1857687240 MNJKCXJHWRPOEB-MAUKXSAKSA-N 329.875 4.468 0 50 EIAA Cc1ccc(-c2cc(-c3nc(C[C@]4(C)CC4(F)F)no3)n[nH]2)cc1 1875267547 ONTCSCSULCJMBA-MRXNPFEDSA-N 330.338 4.023 0 50 EIAA Cc1ccc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)cc1F 1875343235 UWEOBJJPBLUDCJ-UHFFFAOYSA-N 346.365 4.325 0 50 EIAA O=C(NCc1ccc(C(F)(F)F)cc1)N[C@H]1CCCc2ccoc21 2325826060 NKDHASVWDYKSPB-AWEZNQCLSA-N 338.329 4.175 0 50 EIAA N[C@@H]1[C@@H]2CCCCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)[C@@H]21 2325826732 KSZWLDQHTJGZAS-ZCNNSNEGSA-N 342.870 4.444 0 50 EIAA O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 201387 YIBDTXXQBRJTCF-UHFFFAOYSA-N 336.627 4.448 0 50 EIAA O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(C(F)(F)F)c1 300600 AGAUXSXAYBJHAY-UHFFFAOYSA-N 343.519 4.212 0 50 EIAA C/C=C/c1ccc(OCCOCCOc2ccc(F)cc2)c(OC)c1 2991284 CXOHHMYMMHCMPG-ONEGZZNKSA-N 346.398 4.342 0 50 EIAA COc1ccc(-c2noc([C@H](C)Oc3ccc(C)cc3)n2)cc1OC 4433150 SBNIKKQKIMKOOP-ZDUSSCGKSA-N 340.379 4.202 0 50 EIAA O=c1c2ccccc2c(-c2cc(Cl)ccc2O)nn1-c1ccccc1 5604619 CCAUCFUPUIFUSH-UHFFFAOYSA-N 348.789 4.412 0 50 EIAA Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@@H](c1ccco1)C2 10156649 WAFBZXFZXKNLPQ-LBPRGKRZSA-N 337.354 4.173 0 50 EIAA CC[C@H](C)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(O)c1 15768858 ONAJLRGEMFPPIK-LBPRGKRZSA-N 329.396 4.175 0 50 EIAA Cc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2)c1C(C)C 16626132 PCPXJBFUTMKPCK-UHFFFAOYSA-N 334.423 4.260 0 50 EIAA Cc1ccc(-c2n[nH]cc2CNC[C@H]2OCCc3ccccc32)cc1C 19867238 XIUSHVSKSCLZTK-OAQYLSRUSA-N 347.462 4.097 0 50 EIAA CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1C 21787113 SMRZGNRSVHRIMP-HXUWFJFHSA-N 347.462 4.467 0 50 EIAA CCc1c(C(=O)N(Cc2cccs2)[C@H](CC)CO)csc1C 55252531 HTMFRJFDVKDKFH-CYBMUJFWSA-N 337.510 4.094 0 50 EIAA CCn1cc(C2CCN(C(=O)Nc3c(C)cccc3Cl)CC2)cn1 132492037 UHBILBFMWCELJA-UHFFFAOYSA-N 346.862 4.276 0 50 EIAA CC(=O)Nc1cccc([C@H](C)NCc2cc(-c3ccccc3)on2)c1 154738939 IIYUBALHEQRVMV-AWEZNQCLSA-N 335.407 4.151 0 50 EIAA COc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1F 187076825 MVZTZHDTFQQFSG-QGZVFWFLSA-N 343.402 4.379 0 50 EIAA C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](c2ccccc2)C1 229720076 WHBXSBHMXCHYER-GOEBONIOSA-N 328.843 4.157 0 50 EIAA COCCc1ccccc1NC(=O)[C@@H](C)Cc1cncc2ccccc12 240278347 DQNUTVKYRSCAHC-INIZCTEOSA-N 348.446 4.241 0 50 EIAA CCC(CC)n1ccc(CN2CC=C(c3ccc(O)cc3)CC2)n1 448446275 JRDKGRBTKUPTCU-UHFFFAOYSA-N 325.456 4.239 0 50 EIAA Cc1cscc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 456706247 SLFWNPXAINPJSP-INIZCTEOSA-N 325.437 4.300 0 50 EIAA CC(F)(F)c1cccc(NC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)c1 666826986 IJKBNCHWSMZDHS-BRWVUGGUSA-N 346.352 4.397 0 50 EIAA CCNc1nc(C)c(C(=O)N2CCCCC[C@H]2c2ccco2)s1 759264642 LSELTJUJFKMEPI-ZDUSSCGKSA-N 333.457 4.234 0 50 EIAA CC[C@@H](NCc1cnc(-c2ccco2)nc1)c1nc(C)c(C)s1 952980086 CIARIPWXBYNSPI-CQSZACIVSA-N 328.441 4.051 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N(C)CCc3scnc3C)cc2)o1 1506419976 OUTJXGMHFDGOMY-UHFFFAOYSA-N 340.448 4.335 0 50 EIAA Cc1ccc2c(c1)CN(C(=O)NCC1(C(F)(F)F)CCCC1)C2 1875268609 GETQBEWKXXORKS-UHFFFAOYSA-N 326.362 4.143 0 50 EIAA COc1cc(C(=O)O[C@@H](C(C)C)C2CCCCC2)nnc1C1CC1 1875357454 HXPZTZITXUAIPB-SFHVURJKSA-N 332.444 4.124 0 50 EIAA Fc1ccc([C@H]2CCC[C@H]2Nc2cnn(-c3ncccc3F)c2)cc1 2325827601 KXASDOQQZQRNFR-SJLPKXTDSA-N 340.377 4.294 0 50 EIAA OCCc1cncc(-c2ccccc2OCc2ccc(F)cc2F)c1 2325854979 BUTNHGSAARVMQQ-UHFFFAOYSA-N 341.357 4.141 0 50 EIAA CC1=CC2(CCN(C(=O)CCCCc3ccccc3)CC2)OCC1 2356142770 GYXHLQLDPXNVIS-UHFFFAOYSA-N 327.468 4.127 0 50 EIAA COc1ccc(-c2ccc(F)c(CN3CCC[C@@H](OC)C3)c2)cc1F 2356169976 OYCDVJSOOMIJAK-QGZVFWFLSA-N 347.405 4.251 0 50 EIAA Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1 116850 KVZOXOQWBADCRN-UHFFFAOYSA-N 328.371 4.067 0 50 EIAA O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc2ccccc2c1 442908 ZTWKSKBMERGUEQ-JLHYYAGUSA-N 332.428 4.366 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 454216 GTMWJIGXWBDCCO-UHFFFAOYSA-N 349.761 4.468 0 50 EIAA Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 456791 DAFNWPDRSMFIDA-IZZDOVSWSA-N 330.840 4.175 0 50 EIAA CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC 474993 AAFLALGGEYRGTR-UHFFFAOYSA-N 337.828 4.311 0 50 EIAA O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 1425938 ORCFYZWJQKEOFI-UHFFFAOYSA-N 349.217 4.373 0 50 EIAA S=C(NC[C@H]1CCCO1)Nc1cc(Cl)c(Cl)cc1Cl 2858131 CLKQVGWEIQPDRP-SSDOTTSWSA-N 339.675 4.112 0 50 EIAA COc1ccc(Br)cc1-c1noc(-c2ccccc2F)n1 2883419 HKUVTEGGAMLWKN-UHFFFAOYSA-N 349.159 4.314 0 50 EIAA C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C 2987894 DHYGMIXHSHDLPW-NSHDSACASA-N 331.934 4.469 0 50 EIAA O=C1Nc2ccccc2/C1=C/NC(c1ccccc1)c1ccccc1 3877199 VAUCSHQGOTWTFH-CYVLTUHYSA-N 326.399 4.359 0 50 EIAA C[C@@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2oc1=O 4751557 AZDMEALARANOBK-LLVKDONJSA-N 339.778 4.038 0 50 EIAA COc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 16227985 VSTSEZAICJDSFV-UHFFFAOYSA-N 328.387 4.077 0 50 EIAA Cc1ccccc1-c1noc([C@@H]2CCCCN2C(=O)c2ccccc2)n1 19810482 DSKODYPJJSZUPC-SFHVURJKSA-N 347.418 4.412 0 50 EIAA Cc1ccc(NC(=O)CN[C@H](CC(C)(C)C)c2cccnc2)c(C)c1 65370506 YCTSEBSOLPCRRO-LJQANCHMSA-N 339.483 4.404 0 50 EIAA Fc1cccc(Cl)c1-c1nccn1Cc1cnc2ccccn12 71761151 JWUQHBGHDPUCGG-UHFFFAOYSA-N 326.762 4.039 0 50 EIAA Cc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)no1 82126425 BMWUDIXQOXSEEV-KRWDZBQOSA-N 337.379 4.005 0 50 EIAA C[C@H](CCn1cncn1)Nc1cc(Cl)ccc1OCC1CCC1 170604720 RALLHCROMJTYPZ-CYBMUJFWSA-N 334.851 4.001 0 50 EIAA O=C(NC[C@H]1Cc2ccccc21)c1ccccc1C(=O)c1cccs1 170651152 HEYMXLFDQQDHRU-OAHLLOKOSA-N 347.439 4.049 0 50 EIAA O=C(CCc1ccco1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 189685132 JKRDLIFWHXPOFG-IBGZPJMESA-N 349.434 4.356 0 50 EIAA COc1cccc([C@H]2CCN2Cc2cc(CN3CCCC3)cs2)c1 215622284 JFRKWTFLSFEWMU-HXUWFJFHSA-N 342.508 4.300 0 50 EIAA C[C@@H](O)c1cccc(-c2cccc(C(=O)N3CCCCCCC3)c2)n1 534651056 IRVRVZNNHWBBQV-MRXNPFEDSA-N 338.451 4.208 0 50 EIAA O=C(C[C@H](Cc1ccccc1)c1ccco1)NCc1cccs1 827802382 FLECNPSFSPGMLO-INIZCTEOSA-N 325.433 4.374 0 50 EIAA C[C@H](NC[C@@H](C)c1nc(-c2ccccc2)no1)c1cc(O)ccc1F 872051608 LXYPJKLBHALTJJ-OLZOCXBDSA-N 341.386 4.036 0 50 EIAA C[C@H](Nc1cc(C(F)F)ncn1)c1ccc(N2CCCCC2=O)cc1 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CCCCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 2767532 WXKWUSTZEDFNOI-UHFFFAOYSA-N 349.374 4.085 0 50 EIAA Cc1nccn1C(=O)c1sc2cccc(OC(F)F)c2c1Cl 2790995 DDPHJTCPZKRVQM-UHFFFAOYSA-N 342.754 4.350 0 50 EIAA CC(C)OCCCNC(=O)CCCOc1ccc(Cl)cc1Cl 2877589 JMZVKXXBVQCBSM-UHFFFAOYSA-N 348.270 4.084 0 50 EIAA Cc1ccc(OCCOc2ccc(Br)cc2C=O)cc1 2879322 KUUYSILWBNLYNY-UHFFFAOYSA-N 335.197 4.028 0 50 EIAA COc1ccc(-c2noc([C@H](C)Oc3cccc(C)c3)n2)cc1OC 4833838 BDWIYVGVYPZBRN-ZDUSSCGKSA-N 340.379 4.202 0 50 EIAA Cc1cc(=O)oc2cc(NC(=S)N3[C@@H](C)CCC[C@@H]3C)ccc12 6399713 CEIOOOQFRWKQHS-STQMWFEESA-N 330.453 4.061 0 50 EIAA C[C@@H](NC(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)no1 6703811 PSTWABAQPOJGJL-SNVBAGLBSA-N 345.761 4.020 0 50 EIAA Cc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 6714561 AAMRDGPAVXOIEU-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 8377500 VIWAGSSLQYCFRP-UHFFFAOYSA-N 338.162 4.072 0 50 EIAA O=C(CCc1cccnc1)N1CCC[C@@H](CCc2cccc(F)c2)C1 11818054 IARURWYKLLHIAV-IBGZPJMESA-N 340.442 4.025 0 50 EIAA OC1(c2ccccc2)CCN(Cc2csc3c2CCCC3)CC1 19939545 KFTNSVYTQYZUOC-UHFFFAOYSA-N 327.493 4.111 0 50 EIAA CC(=O)c1cc(CN2CCO[C@H](CCCc3ccccc3)C2)cs1 20351701 YINRAARDUYVNSQ-LJQANCHMSA-N 343.492 4.174 0 50 EIAA CCn1nccc1[C@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 21791737 HLQPGPGNMBQUJB-OAHLLOKOSA-N 332.835 4.234 0 50 EIAA C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 22001463 MCNZISFQKMPWRJ-XHCHQYRPSA-N 338.447 4.290 0 50 EIAA in-vitro CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1 64985068 KFOONNLRVOCTDB-AWEZNQCLSA-N 337.782 4.399 0 50 EIAA Cc1nc(CCn2cnc(-c3ccccc3)c2C2CC2)nc2c1CCC2 65387399 YOZPVNGRSPCTCO-UHFFFAOYSA-N 344.462 4.257 0 50 EIAA CCc1c[nH]nc1C1CCN(Cc2[nH]c3ccc(F)cc3c2C)CC1 67947751 SDBYXVLHEVTOAO-UHFFFAOYSA-N 340.446 4.281 0 50 EIAA Cc1ccc(SC2CCN(C(=O)c3csc(C)n3)CC2)cc1 77503838 YEVFJRASWMTAMM-UHFFFAOYSA-N 332.494 4.157 0 50 EIAA O=C(NCCNc1cccnc1)Nc1ccc(C2CCCCC2)cc1 96152715 SWZQZBKZDRWKLE-UHFFFAOYSA-N 338.455 4.363 0 50 EIAA Cc1ccc2[nH]c(CN[C@H](CC(=O)O)c3ccsc3)cc2c1C 170090931 GTJYLQIWSUBQHD-QGZVFWFLSA-N 328.437 4.152 0 50 EIAA CC(C)C[C@@H](N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 170677579 NXUZUKMPUTZNSE-DNVCBOLYSA-N 326.440 4.030 0 50 EIAA COc1ccccc1COc1cccc(NC2CCOCC2)c1C 179603192 DCNPMCONUXIHLU-UHFFFAOYSA-N 327.424 4.174 0 50 EIAA COCCN(Cc1ccc(-c2ccccc2)s1)C[C@@H]1CCCO1 216149490 XXUZWRAKBVIFCR-KRWDZBQOSA-N 331.481 4.043 0 50 EIAA O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCO[C@@H]2CCCC[C@H]21 219109773 FOQJDXMMSBFIBI-WOJBJXKFSA-N 339.410 4.276 0 50 EIAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Oc2cnccn2)c1 247228752 XLNGBONCGZQDRH-RVKKMQEKSA-N 337.423 4.062 0 50 EIAA COC(=O)c1c(F)cccc1NC(=O)N1[C@H]2CC[C@H]1c1ccccc12 281561733 YHTVNTVQRDNVTC-HOTGVXAUSA-N 340.354 4.036 0 50 EIAA Clc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)c(Cl)s1 449313349 VWLXMUURNKSZRI-WCQYABFASA-N 329.252 4.070 0 50 EIAA O=C(N1CCCc2n[nH]cc21)C1(Cc2cccc(F)c2)CCCCC1 487491468 QJUMUJOWRNKXQT-UHFFFAOYSA-N 341.430 4.021 0 50 EIAA Cc1nc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cs1 612267187 VDLCTWPAZXJRGJ-UHFFFAOYSA-N 349.765 4.445 0 50 EIAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(C(C)C)nc3)[nH]c2c1 676426310 KXUZCHWWDWUSLP-IBGZPJMESA-N 348.450 4.367 0 50 EIAA Oc1nc(C(F)(F)F)ccc1-c1noc(C2(C3CCC3)CCC2)n1 897161940 IHTKBHFHTWYIBG-UHFFFAOYSA-N 339.317 4.078 0 50 EIAA C[C@H](NCc1ccc(C(=O)O)cc1)c1csc(C(F)(F)F)c1 905788389 BKBCJPFPXVTCMC-VIFPVBQESA-N 329.343 4.316 0 50 EIAA O[C@H](c1cccs1)C1CCN(c2cccc(C(F)(F)F)n2)CC1 1704314506 UENFFFCBCGCVES-HNNXBMFYSA-N 342.386 4.112 0 50 EIAA Cc1ncc(C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)c(-c2ccccc2)n1 1857670431 NGSLQLOFNBABHP-JQHSSLGASA-N 335.451 4.008 0 50 EIAA COc1cc(NC(=O)Cc2ccc(Cl)cc2)c(OC)cc1Cl 37559 VKBVMBWSWULHOI-UHFFFAOYSA-N 340.206 4.192 0 50 EIAA CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 131189 SKRULXQLEXLKED-LFYBBSHMSA-N 327.355 4.043 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Oc2ccc(F)cc2Cl)cc1 399648 DACGQNOCOWSBFK-UHFFFAOYSA-N 337.734 4.267 0 50 EIAA Cc1ccc(C(=O)CSc2nnc3ccc4ccccc4n23)cc1C 612761 GGZULIRTOYNLHP-UHFFFAOYSA-N 347.443 4.474 0 50 EIAA Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 1770393 IKLRZBVUEHXLHQ-VMPITWQZSA-N 329.827 4.165 0 50 EIAA CCCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCCC2 2737792 ITAPIFYDXNHCKD-UHFFFAOYSA-N 335.469 4.322 0 50 EIAA CCOC(=O)Cn1c(/C=C/c2ccccc2)nc2cc(C)c(C)cc21 4002699 PAFYMXFWSMYBPD-ZHACJKMWSA-N 334.419 4.387 0 50 EIAA N#CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccccc1 4800538 BFDVHBOAIHODPN-UHFFFAOYSA-N 334.400 4.030 0 50 EIAA COC(=O)c1cn(C(=O)/C=C/c2ccccc2Cl)c2ccccc12 4834315 WZYHEAWOYDVPIH-ZHACJKMWSA-N 339.778 4.435 0 50 EIAA CCOC(=O)c1c(C)nsc1Nc1ccc(Br)cc1 5947983 LGJUKRVBCFBCEI-UHFFFAOYSA-N 341.230 4.134 0 50 EIAA O=C(NC1CCCCC1)[C@H](Sc1ccccn1)c1ccccc1 8814479 XGBXCVBHBMJLQA-GOSISDBHSA-N 326.465 4.364 0 50 EIAA O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1C[C@H]1CCCO1 12517385 RNHVANYOFSTJSF-FZKQIMNGSA-N 342.826 4.086 0 50 EIAA COc1ccc(C(=O)NCC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 13618310 VSQUKEYFHHDLQE-LVBDODCMSA-N 327.468 4.422 0 50 EIAA COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1C 14009093 AJKAPTFXJLQKCP-WJDWOHSUSA-N 325.389 4.245 0 50 EIAA CC(=O)NC[C@@H]1CCCN(Cc2cccc(-c3ccccc3C)c2)C1 67982496 UIIHZHGSOFGIOG-FQEVSTJZSA-N 336.479 4.010 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccccc3)C2)[nH]n1 71759941 SXFMVSDIUZNJND-QGZVFWFLSA-N 325.456 4.018 0 50 EIAA COCC1(N(C)C(=O)Nc2ccccc2Oc2cccc(C)c2)CC1 95507661 ZKTKWASJGSTBRV-UHFFFAOYSA-N 340.423 4.430 0 50 EIAA COc1cc(F)c(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1F 125485741 FUNLDFRRSIXYJP-UHFFFAOYSA-N 346.308 4.156 0 50 EIAA CCc1ccc2oc(C(=O)NCCCOCc3ccco3)c(C)c2c1 238950853 ZYTBBACFTRSYKV-UHFFFAOYSA-N 341.407 4.233 0 50 EIAA COCc1cccc(CC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1 252487081 HSDDLPFOEDXDPY-HNNXBMFYSA-N 337.419 4.308 0 50 EIAA C[C@]12CCC3(CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12)OCCO3 253596345 QIOYEDVDPAWRGZ-QONVVCGCSA-N 332.484 4.053 0 50 EIAA OCC1([C@H](NCc2cnc(C3CCC3)s2)c2cccs2)CCC1 449765719 KEXSTIWLCNLCOF-MRXNPFEDSA-N 348.537 4.466 0 50 EIAA O=C(C/C=C/c1cccc(F)c1)N1CCC[C@@H](c2ccncc2)CC1 2325774228 SBGCTDUDVLVVRR-PSQUURQMSA-N 338.426 4.420 0 50 EIAA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 239156 MHDGADJMKCLDOM-UHFFFAOYSA-N 337.444 4.391 0 50 EIAA Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(F)cc1 2621598 VAAZQEDHLBKHJX-UHFFFAOYSA-N 335.806 4.263 0 50 EIAA CCC[C@H](NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 4748777 IBUNETHMWJUQSD-FAKMSMKASA-N 330.472 4.406 0 50 EIAA c1ccc(COc2ccc(-c3nc(-c4ccncc4)no3)cc2)cc1 4868765 WFYYGBYEZXBHPN-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA O=C(C[C@H](c1cccc(Cl)c1)c1ccccc1O)NC1CCC1 15061609 ZTIAOTKMUVYOAJ-QGZVFWFLSA-N 329.827 4.236 0 50 EIAA Cc1ccnc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1 16580015 NWXBKZLZDWTEEJ-JTQLQIEISA-N 325.195 4.103 0 50 EIAA Cc1nccn1CC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 72148748 BCTPNHAYGDHQMF-QGZVFWFLSA-N 346.862 4.322 0 50 EIAA CSc1cccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 79066251 CCOUSCYQTDYWBR-QGZVFWFLSA-N 328.437 4.014 0 50 EIAA Cc1csc([C@H](C)N(C)C(=O)c2c(-c3ccccc3)noc2C)n1 96131163 MTOJUAKTAIEIHD-LBPRGKRZSA-N 341.436 4.248 0 50 EIAA O=C(O)c1cn(Cc2ccccc2OC(F)(F)F)c2ccccc12 169676274 IBVJYVJJWIYNKG-UHFFFAOYSA-N 335.281 4.286 0 50 EIAA Cc1ccc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c(C)n1 186931928 WMBZDQSEQSPSNP-GOSISDBHSA-N 334.822 4.064 0 50 EIAA CCC[C@H]1COCCN1C(=O)c1cccc(-c2ccccc2OC)c1 220225553 GDNLQJRRBCKRPV-SFHVURJKSA-N 339.435 4.003 0 50 EIAA C[C@H](NCc1ncnn1C(C)(C)C)c1cc(F)c(Cl)cc1Cl 225734710 UBAIOXZUGJPSKL-VIFPVBQESA-N 345.249 4.330 0 50 EIAA CC(C)c1cc([C@@H]2CCCN2Cc2cc(-c3ccncc3)no2)no1 244626685 FQOYHQNJHIARLB-SFHVURJKSA-N 338.411 4.185 0 50 EIAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC=C(F)C2)c1 274680275 WPUDCPQOMOZPDP-UHFFFAOYSA-N 339.798 4.170 0 50 EIAA CCc1ccc2oc(C(=O)Nc3cccc4c3OCCO4)c(C)c2c1 334161620 CVTHMHGPAKQZED-UHFFFAOYSA-N 337.375 4.327 0 50 EIAA Cc1ccsc1CN(CC(C)C)C(=O)c1ccnc(C(C)C)n1 426621732 NSKAAEINZCDYER-UHFFFAOYSA-N 331.485 4.268 0 50 EIAA CC(C)(C)c1coc(CN2CCC(c3nc4ccccc4[nH]3)CC2)n1 891545943 PLABJORGXXYKER-UHFFFAOYSA-N 338.455 4.228 0 50 EIAA O=C(Nc1nc2ccccc2n1CC1CC1)c1ncsc1C1CC1 900665475 FZCOBECHAPBVOL-UHFFFAOYSA-N 338.436 4.033 0 50 EIAA CCc1nc2cc(NC(=O)c3ccc4ccn(C)c4c3)ccc2n1CC 952987534 FCCSGVWWTRVTME-UHFFFAOYSA-N 346.434 4.363 0 50 EIAA O=C(Nc1ccc(C(F)(F)F)nc1)N[C@@H]1CCC[C@H](C2CC2)C1 1310502706 UPRZJRSBECAZSH-NWDGAFQWSA-N 327.350 4.191 0 50 EIAA O=C(c1nnc2ccccc2n1)N(c1ccsc1)C1CCCCC1 1354936670 FPSVILBJAUPBJH-UHFFFAOYSA-N 338.436 4.066 0 50 EIAA c1ccc(Cc2nc(CN[C@H]3CCN(c4ccccc4)C3)cs2)cc1 1506398771 XCXLWOHBXKMMFP-SFHVURJKSA-N 349.503 4.102 0 50 EIAA OCc1cccc(CN[C@H](CCCc2ccccc2)c2ccccc2)n1 1875308035 QHSKJCMUACUZRL-HSZRJFAPSA-N 346.474 4.428 0 50 EIAA CCc1cccc(-c2noc([C@H](C)n3ccc(C(F)(F)F)n3)n2)c1 1875331618 QDBOINGDUBYFLY-JTQLQIEISA-N 336.317 4.124 0 50 EIAA Cc1cc(Oc2ccccc2)nc(N2CCC[C@@H]2Cc2cccnc2)n1 1875333635 FKFGXPWNHNNVBZ-GOSISDBHSA-N 346.434 4.184 0 50 EIAA CC(C)n1cc([C@@H]2C[C@H]2c2nc([C@H]3CCCC(F)(F)C3)no2)cn1 2325789766 LMPCGYLWSBLLQR-FPMFFAJLSA-N 336.386 4.411 0 50 EIAA CN(CC1CCCC1)c1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356158660 UHVKKRNHIWBHJA-UHFFFAOYSA-N 334.803 4.320 0 50 EIAA CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 70770 QRICOXPRSCVAFP-WJDWOHSUSA-N 327.767 4.083 0 50 EIAA O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(F)cc1 469187 UAZQNSLPYNHMHZ-UHFFFAOYSA-N 340.398 4.141 0 50 EIAA C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)[C@H]1CCCO1 477177 QKVDQSBBZZFHKS-QVKFZJNVSA-N 346.430 4.199 0 50 EIAA CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 7408443 YHSFDLLISQHDMX-UHFFFAOYSA-N 344.842 4.003 0 50 EIAA CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1OC 8494746 FGRPUSLANFBQCG-AWEZNQCLSA-N 349.814 4.153 0 50 EIAA O=C(CCCC1CCCCC1)N1CCN(Cc2ccccc2)CC1 19812473 WTTWCTACCKHWDT-UHFFFAOYSA-N 328.500 4.081 0 50 EIAA Cc1c(NC(=O)c2ccccc2Cl)cccc1NC(=O)C1CC1 36567533 SUVIESGUOLOIOQ-UHFFFAOYSA-N 328.799 4.249 0 50 EIAA CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(OCC)cc2)no1 64984555 FLOQBXJLTHEYNS-GOSISDBHSA-N 343.427 4.395 0 50 EIAA CC[C@@H]1C=CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc12 95366669 XGVFAJNPQAJOCL-MRXNPFEDSA-N 329.403 4.087 0 50 EIAA O=C(Nc1ccc(CCc2ccccn2)cc1)N1CCC(F)(F)CC1 96180367 UBDCMEOMOKQIMZ-UHFFFAOYSA-N 345.393 4.130 0 50 EIAA CCc1nc(C)c(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)o1 97528930 IWYLXTSTQHGUDQ-LJQANCHMSA-N 349.434 4.077 0 50 EIAA COc1cc(C)c(NC(=O)NCc2ccc3ncccc3c2)cc1F 193880836 WSFHCIOCBYQTIE-UHFFFAOYSA-N 339.370 4.013 0 50 EIAA Cc1c(Cl)c(CN2CCO[C@H]3CCCC[C@H]32)nc2ccccc12 230136041 DJQQEJJRDGZHND-MSOLQXFVSA-N 330.859 4.340 0 50 EIAA Cc1ccc(C(C)(C)NC(=O)c2ccc(F)cc2C(F)(F)F)cn1 240555659 GWZQHQXSFRXCJC-UHFFFAOYSA-N 340.320 4.213 0 50 EIAA CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 241287095 LJVHNVYQMGPRIL-WQHGSSGSSA-N 348.918 4.416 0 50 EIAA C=Cc1ccc(C(=O)N(CC(F)(F)F)c2nc(C)cs2)cc1 253416277 PHWBLFMJWLVCOD-UHFFFAOYSA-N 326.343 4.304 0 50 EIAA CCn1nc(C)c(-c2ccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)cc2)c1C 534653055 BSDGOYNDQYFUNH-BGYRXZFFSA-N 349.478 4.225 0 50 EIAA CCCn1c(C)nc2cc(NC(=O)Cc3cccc(F)c3)ccc21 823024282 NAVRSWWUYJFUOT-UHFFFAOYSA-N 325.387 4.075 0 50 EIAA CC(C)c1ocnc1C(=O)N(Cc1nc2ccccc2s1)C1CC1 906248579 CZJBKUZIRXAYOS-UHFFFAOYSA-N 341.436 4.213 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@H](C)c1ccccc1C(F)F 2325842384 WVCWYZQBRQPUDF-CVEARBPZSA-N 333.422 4.434 0 50 EIAA O=C(O)c1cc(=O)c2ccc(-c3ccccc3CC(F)(F)F)cc2o1 2325870515 AODAERFDDZKZGM-UHFFFAOYSA-N 348.276 4.263 0 50 EIAA C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 127545 PFSNGPDENSYBKM-CQSZACIVSA-N 334.375 4.023 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 249474 CCTSFIUDZXWNPO-UHFFFAOYSA-N 329.421 4.056 0 50 EIAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccccc1 454301 BGUZSKGWVNIBKS-GFCCVEGCSA-N 338.234 4.419 0 50 EIAA Cc1cccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)n1 468826 GMUAXJDSTMDQJP-UHFFFAOYSA-N 335.388 4.364 0 50 EIAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 514293 BEHWGDBNNRAMKA-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA O=C(Nc1ccccc1OC(F)F)c1ccc(Br)cc1 528923 KDCZYTXJMVFRHH-UHFFFAOYSA-N 342.139 4.303 0 50 EIAA COc1cc(OC)c(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1Cl 2881265 UIZSUDLUEMOWSX-LBPRGKRZSA-N 349.814 4.072 0 50 EIAA O=[S@](NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 4293921 OBXHPMFEIMRIAU-WRJJDOBMSA-N 325.477 4.421 0 50 EIAA CCCCC/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 4655422 LRPPQRCHCPFBPE-FLWFMKAKSA-N 338.488 4.382 0 50 EIAA endogenous,in-man CC[C@@H](C)N(Cc1ccncc1)Cc1cccc(Cn2cccn2)c1 55133248 OMSSXKSKSYUODB-GOSISDBHSA-N 334.467 4.127 0 50 EIAA Cc1nc(C(=O)N2CCC(Sc3ccccc3C)CC2)cs1 77297980 DETXPXNTGPZHOS-UHFFFAOYSA-N 332.494 4.157 0 50 EIAA CC[C@@H]1CN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC[C@H]1c1ccccc1 132063614 FJNHFCITVZZESI-POZUXBRTSA-N 339.483 4.172 0 50 EIAA Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)CC2CC(O)C2)c1 190075345 OQIXENMDXZIDLO-UHFFFAOYSA-N 340.423 4.022 0 50 EIAA CCc1noc(C)c1NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 241231096 KRYWCFUSXMJTIP-GFCCVEGCSA-N 349.381 4.235 0 50 EIAA COc1ccc(-c2cccc3c(OC)c(OC)c4c(c23)OCO4)cc1 253470609 OPFXIUPORPSIOK-UHFFFAOYSA-N 338.359 4.261 0 50 EIAA C[C@@H](C(=O)O)c1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1 263349468 VCUXAIQEHDNDFK-KSTDHSDQSA-N 337.419 4.397 0 50 EIAA Cc1cccc2cc(C(=O)N3CC(c4ncc(C5CC5)cn4)C3)sc12 863981611 IWXZAJZDMBVHEY-UHFFFAOYSA-N 349.459 4.117 0 50 EIAA Cc1cc(N2CCCC[C@@H]2c2ncccn2)nc(-c2cccs2)n1 895975770 FCMAEDVPMNFOHK-CQSZACIVSA-N 337.452 4.035 0 50 EIAA COCCC1(c2noc(COc3ccccc3Cl)n2)CCCC1 896632321 ZPZZIWJJPMXIKA-UHFFFAOYSA-N 336.819 4.150 0 50 EIAA C[C@@H]1CCCN1Cc1ccc(-c2cccnc2N(C)C)cc1Cl 1875249827 DCRYPNPBFLGTTI-CQSZACIVSA-N 329.875 4.452 0 50 EIAA Cc1cc(F)cc([C@H](C)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)c1 1875334659 YAAKWNBPKNBFBY-FVJLSDCUSA-N 329.459 4.415 0 50 EIAA CC1(c2cccc(NC(=O)c3c(Cl)ccc4c3OCO4)c2)CC1 1875405647 LANJKSBTJWLBLN-UHFFFAOYSA-N 329.783 4.373 0 50 EIAA CN(Cc1cccc(Cl)c1Cl)C1=NC[C@H](c2ccccc2)N1 2325864480 PVTSCSMVRXJVNP-OAHLLOKOSA-N 334.250 4.126 0 50 EIAA N[C@H](CCNC(=O)Nc1cccc(C2CCC2)c1)Cc1ccccc1 2325866463 LWYFESVNOAGEAY-LJQANCHMSA-N 337.467 4.036 0 50 EIAA CSc1nsc(SC)c1NC(=O)OCc1ccccc1 180359 DNDUNJUXKZOONJ-UHFFFAOYSA-N 326.468 4.336 0 50 EIAA COc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1 182739 QOYSBLXVNOQFFH-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 269376 AQAOHKDZIAZWJG-LLVKDONJSA-N 349.839 4.231 0 50 EIAA CC(=O)c1ccccc1OC(=O)c1ccc(C)c(Br)c1 359010 GETZQTSDXJYKQX-UHFFFAOYSA-N 333.181 4.179 0 50 EIAA COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(OC)cc2)cc1 366960 SLIYJTVHXLYNJL-UHFFFAOYSA-N 347.374 4.156 0 50 EIAA COc1ccc(-c2cn3c([n+]2-c2ccccc2OC)CCCCC3)cc1 392155 XVJUGJKNKSFMQU-UHFFFAOYSA-N 349.454 4.175 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 451023 OAKOXNDZVAIVPZ-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1F 457167 LBUUAEKNYCABOX-JXMROGBWSA-N 334.803 4.006 0 50 EIAA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1 619681 CHTCDJSNOVPGOL-UHFFFAOYSA-N 336.391 4.272 0 50 EIAA Cc1ccc2nc(NC(=O)CCCOc3ccccc3)sc2c1 2988047 YFMHBXOWKMRGJP-UHFFFAOYSA-N 326.421 4.402 0 50 EIAA O=C(O)[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 4949536 QKBPDVBZTVJMLY-UWVGGRQHSA-N 348.613 4.165 0 50 EIAA C/C(=C\c1ccco1)CN[C@H]1CCCc2nc(-c3cccnc3)ncc21 12297437 NBTZEBHIKQNEHY-LSSBLYJVSA-N 346.434 4.202 0 50 EIAA COc1cccc(NC(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c1 12298816 NIPJMQINDGIIRF-KRWDZBQOSA-N 345.487 4.004 0 50 EIAA CC1(C)C=Cc2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O1 13383651 YXOATFKTEDZPFL-UHFFFAOYSA-N 336.343 4.055 0 50 EIAA biogenic,in-vitro CC(C)Cc1cn[nH]c1[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 19742632 LTSFYNVHZVHYLM-HNNXBMFYSA-N 347.890 4.347 0 50 EIAA OC(CNCc1ccccc1Cl)(c1ccccc1)c1ccccc1 20219100 DFZXKIIRJNEGDX-UHFFFAOYSA-N 337.850 4.366 0 50 EIAA Cc1ccc(CNC(=O)Cc2csc(-c3ccccc3)n2)s1 20539947 VTGZQZZXVHESJW-UHFFFAOYSA-N 328.462 4.039 0 50 EIAA Cc1[nH]c([C@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccc(Cl)cc1 23159590 ODSXIHJMUCNXMO-AWEZNQCLSA-N 331.847 4.010 0 50 EIAA COc1cc(CN2CCC[C@H](CCc3ccc(F)cc3)C2)ccc1O 71708110 QCTMUAQSPBXDES-QGZVFWFLSA-N 343.442 4.385 0 50 EIAA O=C(CSCc1ccccc1Cl)N1CCC[C@@H]1c1ccccn1 77377603 GSBVXXBGZYLTEO-QGZVFWFLSA-N 346.883 4.332 0 50 EIAA CCCn1ccc2cc(NC(=O)[C@H](OC)c3ccc(O)cc3)ccc21 170596518 FEZGKPKKIPJRBH-LJQANCHMSA-N 338.407 4.083 0 50 EIAA Cc1cc(C)c(CSCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(C)c1 170615349 QUUWFBLDGZAGRN-RBUKOAKNSA-N 347.524 4.015 0 50 EIAA C[C@@H](CNC(=O)[C@@H]1CSc2ccccc21)c1ccc(F)cc1F 174324516 MNZOHXGPNRRYQX-XHDPSFHLSA-N 333.403 4.074 0 50 EIAA c1cncc(CN(Cc2ccc3ccccc3n2)Cc2ccco2)c1 182062462 JVMDCEKEEIHWGG-UHFFFAOYSA-N 329.403 4.425 0 50 EIAA Cc1nnc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)s1 271366395 KAMHBNQHJUANRV-UHFFFAOYSA-N 346.481 4.486 0 50 EIAA CC(C)c1ccoc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 671215902 HSUUCUIJHZQMDN-UHFFFAOYSA-N 349.377 4.117 0 50 EIAA C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1onc2c1CCCC2 820996350 BVHJQWIQYGJZPY-AWEZNQCLSA-N 326.440 4.040 0 50 EIAA Cc1ccnc(NC(=O)c2nc(C)sc2-c2ccc(F)cc2)c1 888103831 CGKWSODUDAQTJV-UHFFFAOYSA-N 327.384 4.213 0 50 EIAA Cc1cc(C(=O)N2C[C@H](CCC(=O)O)Cc3ccccc32)c(C)s1 902827409 LLNFQRJZOUZWKS-CQSZACIVSA-N 343.448 4.049 0 50 EIAA Cc1cnn(C)c1NC(=O)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 931890058 DPDKFFKYBCFEEP-QMMMGPOBSA-N 345.205 4.057 0 50 EIAA COc1ccc([C@H]2CCCC[C@@H](OC(=O)c3cncs3)C2)cc1 2325745674 YTNZQFCLLIFASA-GOEBONIOSA-N 331.437 4.425 0 50 EIAA CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(F)c(O)c1)CCO2 2325773823 ISBLXJMSBLQQSB-SJCJKPOMSA-N 331.387 4.104 0 50 EIAA CSc1ccc(NC(=O)N2CCC[C@@H]2c2cc(F)ccc2F)cn1 2325818490 FLVUJBSKGYGRKY-OAHLLOKOSA-N 349.406 4.451 0 50 EIAA Cc1cc(C)cc(OCC(=O)Nc2ccc(C)cc2Br)c1 43954 NONBARIPAIAMPK-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CC(=O)Nc1cc(-c2ccccc2)nn1Cc1cccc(Cl)c1 51506 PUAOWUANDFTTCL-UHFFFAOYSA-N 325.799 4.210 0 50 EIAA Cc1ccc(NC(=O)COc2ccccc2Br)c(C)c1 141178 NEYOBMUXFLGPEN-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA O=C(CNCc1ccco1)N1c2ccccc2Sc2ccccc21 200071 DOUHTDLISGTWIG-UHFFFAOYSA-N 336.416 4.199 0 50 EIAA CCOC(=O)c1ccc(N[P@](C)(=O)Oc2ccc(OC)cc2)cc1 275328 WEVYPJDCFLVKSU-XMMPIXPASA-N 349.323 4.186 0 50 EIAA CC1(C)C(c2ccccc2)=N[C@H](c2ccc(Br)cc2)N1O 275599 DKJVLZWBRSUBKC-INIZCTEOSA-N 345.240 4.420 0 50 EIAA COCCSc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 2865314 ZVVPPSBBDHJMGS-MRXNPFEDSA-N 343.492 4.176 0 50 EIAA CC1=C(C)C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C(=O)O)C1 2942795 LYWUAZCAWKLZHC-KGLIPLIRSA-N 341.329 4.091 0 50 EIAA O=C1C[C@H](c2cccs2)Cc2nc(Nc3ccc(F)cc3)ncc21 4741438 HQLPAYKKQOUMPK-LLVKDONJSA-N 339.395 4.334 0 50 EIAA O=C(CSc1ccc(F)cc1)Nc1cccc(Br)c1 4808441 XWWBESWJLJADAZ-UHFFFAOYSA-N 340.217 4.319 0 50 EIAA O=c1c2c3c(sc2[nH]c(=S)n1CCc1ccccc1)CCCC3 6493963 KQPHWEGXEURWBX-UHFFFAOYSA-N 342.489 4.242 0 50 EIAA CCc1ccccc1NC(=O)N1CCN(c2cccc(C)c2C)CC1 6698777 SZQYUMMJCUTPSC-UHFFFAOYSA-N 337.467 4.220 0 50 EIAA Cc1ccc(CNCc2cccnc2Oc2ccc(F)cc2F)o1 11934200 QPEZMFSZEICSAX-UHFFFAOYSA-N 330.334 4.343 0 50 EIAA Cc1cccc(C)c1C(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 12055480 NTCFIGIBTHSUTE-GOSISDBHSA-N 328.500 4.220 0 50 EIAA Cc1ccccc1CCN1CCC[C@@H](CN(C)Cc2ccsc2)C1 14964163 TYRBOUVBULAPFN-IBGZPJMESA-N 342.552 4.443 0 50 EIAA CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(Cc3ccncc3)C2)cc1 15067650 MFDUODSAWXDNKB-LJQANCHMSA-N 336.479 4.474 0 50 EIAA OC[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 19419088 ZXNVOFMPUPOZDF-HSZRJFAPSA-N 331.459 4.292 0 50 EIAA COCC1(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C(C)C)CCC1 55413604 WFRPICJJXBFWDY-IBGZPJMESA-N 340.467 4.066 0 50 EIAA COCCC[C@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc12 82120504 OXFYXUDGMFVKNS-MRXNPFEDSA-N 344.430 4.104 0 50 EIAA Cc1cccc(C)c1OC1CN(C(=O)c2sc(C(C)C)nc2C)C1 91350948 XTCJRBUNMSNELL-UHFFFAOYSA-N 344.480 4.095 0 50 EIAA CC1(C)Cc2cccc(CNc3cc4c(cc3F)NC(=O)CC4)c2O1 121821025 QILQPXDQJQYRSM-UHFFFAOYSA-N 340.398 4.036 0 50 EIAA CC(C)Oc1ccccc1CC(=O)Nc1cnccc1OC(C)(C)C 131916659 GWEXXNIWYIDVQG-UHFFFAOYSA-N 342.439 4.227 0 50 EIAA Cc1[nH]ccc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 175691975 DPHPTOHFNCJUPF-UHFFFAOYSA-N 343.390 4.028 0 50 EIAA Cc1ccc(CN2CCCC2)cc1NC(=O)C1CCC(F)(F)CC1 179365224 XWAQMRJUYHBDID-UHFFFAOYSA-N 336.426 4.355 0 50 EIAA COCc1cc(F)ccc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 184744107 QUHZXBUKIRQHJY-LJQANCHMSA-N 342.414 4.115 0 50 EIAA Cn1c(=O)c(/C=C/c2cc(Cl)cc(Cl)c2)nc2ccccc21 225847745 ROGNZVKHOVGMKN-VOTSOKGWSA-N 331.202 4.411 0 50 EIAA CCOc1c(Cl)cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC 239338971 LMWMFWUTOCUSMV-YWPYICTPSA-N 339.863 4.302 0 50 EIAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)CC2=CCCCC2)CC1 252477230 KJHJILQLBQUZFZ-WKILWMFISA-N 337.460 4.256 0 50 EIAA Cc1nnc(COc2ccccc2OCc2cccc(F)c2)s1 358656652 QHSDJNNIQBLETE-UHFFFAOYSA-N 330.384 4.144 0 50 EIAA C[C@@H](C(=O)NCc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 534878791 AJGQOQSLVOTFPI-QGZVFWFLSA-N 343.426 4.338 0 50 EIAA COc1ccc(-c2ccc(C(=O)N3CCc4sccc4C3)o2)cc1 824689221 BGCKEIHLVMYMRH-UHFFFAOYSA-N 339.416 4.215 0 50 EIAA N[C@@H]1CC[C@@H](n2ccnc2-c2cccc(OCc3ccccc3)c2)C1 1857668585 SASSOGDDYKQMMT-RTBURBONSA-N 333.435 4.181 0 50 EIAA Clc1ccc2nc(-c3nccn3C[C@@H]3CCCOC3)ccc2c1 1857706589 MNPLMJJHUXHMKN-ZDUSSCGKSA-N 327.815 4.178 0 50 EIAA OC[C@H]1CCC[C@@H](n2ccnc2-c2ccc(CC(F)(F)F)cc2)C1 1857725364 SOODEGSUTZVVGW-GOEBONIOSA-N 338.373 4.379 0 50 EIAA O=C(NC[C@H]1C[C@@H]1c1cccs1)c1cc(-c2ccc(F)cc2)on1 1857799262 UCGRMTNQONRTOI-OCCSQVGLSA-N 342.395 4.076 0 50 EIAA Cc1cc(Oc2ccccc2)nc(N2CCC=C(c3cccnc3)C2)n1 1875333994 SVYAMZQGUDWRAR-UHFFFAOYSA-N 344.418 4.266 0 50 EIAA O=C(CCCc1ccncc1)O[C@H]1CCC[C@@H]1Oc1cccc(F)c1 2325855132 JIZOJGJDDZHJML-OALUTQOASA-N 343.398 4.087 0 50 EIAA O=C(N[C@@H]1Sc2ccccc2N=C1c1ccccc1)c1ccco1 373906 PWZDPVKOKZGYAB-LJQANCHMSA-N 334.400 4.262 0 50 EIAA Cc1ccc(S(=O)(=O)N(C#N)c2ccccc2-c2ccccc2)cc1 400582 IZIVXHPUFXXKCA-UHFFFAOYSA-N 348.427 4.338 0 50 EIAA C[C@H](Oc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 442297 IKRGYWILLXMXJG-KRWDZBQOSA-N 331.415 4.360 0 50 EIAA O=C(COc1ccc2ccccc2c1)NC1C2CC3CC(C2)CC1C3 442904 BBOBLNBPJKQJCK-UHFFFAOYSA-N 335.447 4.160 0 50 EIAA CCOC(=O)Cc1nnc(Nc2cc(C)ccc2C)c2ccccc12 443445 CXJZHEAMQDREAG-UHFFFAOYSA-N 335.407 4.096 0 50 EIAA CCOc1ccc(-n2c(S)nnc2-c2ccccc2Cl)cc1 1301958 ORESAERISASWBX-UHFFFAOYSA-N 331.828 4.275 0 50 EIAA CC(C)(C)c1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1 2441140 QRQMTUNRSNKSNB-UHFFFAOYSA-N 341.455 4.026 0 50 EIAA CCOc1ccc2sc(=O)c(Nc3ccccc3Cl)nc2c1 4623392 MNWIBKUFOYDMBW-UHFFFAOYSA-N 332.812 4.452 0 50 EIAA Fc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 4842675 ACVCPGLQTJGYMZ-UHFFFAOYSA-N 325.339 4.104 0 50 EIAA COc1ccccc1NC(=O)Nc1nnc(-c2cccc(C)c2)s1 8575416 WPCRIYKTBPIKMM-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA COc1ccc(NC(=O)Nc2nnc(-c3ccccc3C)s2)cc1 8739665 WSTRJKNJHFIJPP-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA CN(Cc1ccc(Oc2ccccc2)cc1)Cc1nc(CC2CC2)no1 12198758 AVOPFZKPGAOSTP-UHFFFAOYSA-N 349.434 4.446 0 50 EIAA Cc1cccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)n1 12206979 AYBYXNMCZRGXGZ-MRXNPFEDSA-N 342.870 4.447 0 50 EIAA O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccccc2)N1C1CCCCC1 37246089 IRYDNJWLTHHGAO-WOJBJXKFSA-N 333.431 4.138 0 50 EIAA Cc1ccc(O)c(CN(Cc2ccncc2)Cc2ccc(C)s2)n1 55341299 MOCPDHQBAFUAMC-UHFFFAOYSA-N 339.464 4.063 0 50 EIAA Cc1nnc(Cn2cnc(-c3ccccc3)c2CCc2ccccc2)o1 65488509 YMWITGPESONONL-UHFFFAOYSA-N 344.418 4.075 0 50 EIAA CCn1ccnc1-c1c(-c2ccccc2)ncn1CCc1ccncc1 65536384 CEPCLWIAYQOLRI-UHFFFAOYSA-N 343.434 4.071 0 50 EIAA O=C1C[C@@H](c2ccc(F)cc2Cl)c2cnn(C3CCCC3)c2N1 72140625 MNTVOAODRGBONO-ZDUSSCGKSA-N 333.794 4.265 0 50 EIAA O=C(c1cnn(-c2ccccc2)c1)N1CCCC[C@@H]1c1cccc(F)c1 77426869 OSARAEYICPWIDE-HXUWFJFHSA-N 349.409 4.379 0 50 EIAA Cc1ccc(CN(C(=O)c2cnn(C(C)C)c2)C2CCCC2)s1 77537474 VSSLCVCKZBCCQT-UHFFFAOYSA-N 331.485 4.419 0 50 EIAA Cc1ccc(C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C)cc1 100617624 JEPUGZUKMWWDRO-GUYCJALGSA-N 327.811 4.017 0 50 EIAA COC(=O)c1ccc(NCc2ncc(-c3cccc(F)c3)o2)cc1F 124778304 GHBVMYOVEFDYOO-UHFFFAOYSA-N 344.317 4.019 0 50 EIAA C1CCC(c2nc(CSCc3nnc(C4CCC4)o3)no2)CC1 162451651 ZQNLOMQLXTVHMR-UHFFFAOYSA-N 334.445 4.201 0 50 EIAA O=C(c1cccc(C(F)F)c1)N1C[C@H]2CCCN2Cc2ccccc21 171545417 ZTYSGBUQIGAQEZ-QGZVFWFLSA-N 342.389 4.249 0 50 EIAA Cc1ccc(Cl)c(NC(=O)N2CCC(c3ccncc3)CC2)c1 191916304 HFQLUFKEOJNWAZ-UHFFFAOYSA-N 329.831 4.455 0 50 EIAA CC[C@@H](NC(=O)NC1CCN(C(C)(C)C)CC1)c1ccc(C)cc1 193849904 XVEKJVRLBBUAES-GOSISDBHSA-N 331.504 4.008 0 50 EIAA COc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)c1 225517941 NSGOAOUNAARASJ-IBGZPJMESA-N 346.386 4.280 0 50 EIAA Cc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(C)cc2)OC3)cc1 263617522 OEWWWJDBEPJWHU-HXUWFJFHSA-N 347.418 4.024 0 50 EIAA Fc1ccc2c(C3CCN(c4nnc(C(F)F)o4)CC3)c[nH]c2c1 366613082 VOJSKYLGCUKJIJ-UHFFFAOYSA-N 336.317 4.012 0 50 EIAA COc1cc(-c2ccc(C(=O)N3CCCCCCC3)cc2)ccc1O 426506528 BDNFOVGEZCGYDE-UHFFFAOYSA-N 339.435 4.474 0 50 EIAA Cc1oc2ccc(NC(=O)N3CCC[C@@H]3c3ccnn3C)cc2c1C 930897694 PYXOARBEARMJFY-QGZVFWFLSA-N 338.411 4.152 0 50 EIAA Cc1cc(Cl)cc(-c2cnc(C3CC3)o2)c1OC1CCNCC1 1875330127 PCQGPHOGKCFRNM-UHFFFAOYSA-N 332.831 4.312 0 50 EIAA CCCOC1CCN([C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 2325805983 JVVUUEATIGWBEQ-SJORKVTESA-N 346.515 4.418 0 50 EIAA Fc1ccc(CCn2cc(-c3cccc4cnccc34)nn2)cc1F 2325855286 QMVQNEIZQJQWHQ-UHFFFAOYSA-N 336.345 4.014 0 50 EIAA C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 7042 WVZSEUPGUDIELE-HTAPYJJXSA-N 339.479 4.016 0 50 EIAA biogenic,in-vivo Cc1ccc(CN2C(=O)c3ccccc3[C@@]2(O)Cc2ccccc2)cc1 112276 SWIQDEUMURMNTF-QHCPKHFHSA-N 343.426 4.039 0 50 EIAA COc1ccc(CN2CCc3ccccc3C2)cc1Br 239732 SIJGYHUCFYARBW-UHFFFAOYSA-N 332.241 4.016 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1-n1cccc1)CC2=O 352744 PRLVLEBEIFWTMG-RTWAWAEBSA-N 336.435 4.201 0 50 EIAA CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 450415 FCHVBUUPLKMDAK-UHFFFAOYSA-N 329.827 4.477 0 50 EIAA COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl 2512927 IZGOBGVYADHVKH-UHFFFAOYSA-N 349.177 4.041 0 50 EIAA in-vitro O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1O 2814322 MBRJKJAMVQEFMZ-UHFFFAOYSA-N 325.408 4.457 0 50 EIAA O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CC1 3017777 CWALFHQSHZVVKH-UHFFFAOYSA-N 327.236 4.389 0 50 EIAA Cc1ccc(SC(=O)COc2ccc(Br)cc2)cc1 4833494 JUSGKIMKUAUOJL-UHFFFAOYSA-N 337.238 4.455 0 50 EIAA CCOc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2)cc1 5781698 PTKJXCYSYXVWSC-UHFFFAOYSA-N 331.828 4.275 0 50 EIAA CCOc1ccccc1-c1nc(-c2cc(Cl)ccc2OC)no1 6702671 QQZVNAKJUNXAQR-UHFFFAOYSA-N 330.771 4.464 0 50 EIAA Clc1ccccc1[C@@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 15069355 YEWIRJOZHOFVQG-OAHLLOKOSA-N 339.826 4.380 0 50 EIAA O=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 15839953 AIAZEQOVHJCIHQ-FQEVSTJZSA-N 336.822 4.183 0 50 EIAA Cc1oc(-c2ccc(F)cc2F)nc1CN(C)Cc1nccs1 20538046 GZBOUUXJYJRUEH-UHFFFAOYSA-N 335.379 4.017 0 50 EIAA COc1ccc(OCCCCCOc2ncnc3ccccc23)cc1 22079087 LCFASVNYTCKLAP-UHFFFAOYSA-N 338.407 4.267 0 50 EIAA COc1cccc([C@H]2CCN2CCC(=O)Nc2cc(C)ccc2C)c1 65461735 YXQXOYIYJSFEIK-HXUWFJFHSA-N 338.451 4.088 0 50 EIAA COc1cc(CN2CCC[C@@H](CCc3ccccc3F)C2)ccc1O 71776237 GPHGBPPHTHSNGL-INIZCTEOSA-N 343.442 4.385 0 50 EIAA CCCc1ccc2oc(C(=O)N(C)Cc3snnc3C)c(C)c2c1 77299575 WTMOTBRRMQKIHN-UHFFFAOYSA-N 343.452 4.126 0 50 EIAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1c[nH]nc1C1CCCCC1 92028779 WFCTUQRCLPQZLQ-MRXNPFEDSA-N 342.443 4.040 0 50 EIAA CC(=O)c1ccc(N2CCN(CC3=CC[C@H]4C[C@H]3C4(C)C)CC2)cc1 100418798 DTSZNYCHGCSWRW-PZJWPPBQSA-N 338.495 4.004 0 50 EIAA C[C@H](OC(=O)Cc1cccc(C(F)F)c1)c1nc2ccccc2n1C 170618341 FZJNUGISHORVFK-LBPRGKRZSA-N 344.361 4.358 0 50 EIAA CCn1ncc2ccc(NC(=O)N[C@@H]3CCCc4sccc43)cc21 185284045 PHFHJULQEJYVDE-OAHLLOKOSA-N 340.452 4.317 0 50 EIAA C[C@H]1CN(C(=O)c2cc(COC(C)(C)C)on2)c2ccccc2S1 186356379 UXBNOBZJGJESFG-LBPRGKRZSA-N 346.452 4.131 0 50 EIAA CCSCCN(C(=O)c1cc(C(C)C)nn1C)C1CCCCC1 215645507 ZGZDMFRFMVYJPL-UHFFFAOYSA-N 337.533 4.072 0 50 EIAA COc1ccc(-c2nocc2-c2cc(OC)c(OC)c(OC)c2)cc1 253470583 LFUNITCJJRHWGR-UHFFFAOYSA-N 341.363 4.043 0 50 EIAA O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccn1C1CC1 299782301 SKELROUNFHKHPT-QGZVFWFLSA-N 336.435 4.389 0 50 EIAA C[C@H](CNC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1 299803984 OSQNLGZAVMYNII-MRXNPFEDSA-N 332.488 4.059 0 50 EIAA CC(C)c1nc([C@@H]2CCCCCN2c2cnc3ccccc3n2)no1 329370833 IVJWOQDTCCUDFJ-INIZCTEOSA-N 337.427 4.258 0 50 EIAA Cc1ccc(NC(=O)N2CC(c3nc4ccccc4s3)C2)s1 358648655 JSKUIUZNTIKTOJ-UHFFFAOYSA-N 329.450 4.298 0 50 EIAA CC(C)Oc1ccc(CN(C)Cc2cccc(Cl)c2)cc1CO 670451167 CACAWKPLSBTEDH-UHFFFAOYSA-N 333.859 4.252 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)Nc1cc(Cl)ccc1C)C2 1704300103 UOHRESBBCCUGEV-SJLPKXTDSA-N 336.863 4.461 0 50 EIAA Cn1cc(-c2cc3cncc(Br)c3cc2C(F)F)cn1 1777699138 GGOWKGWDVSXOHY-UHFFFAOYSA-N 338.155 4.335 0 50 EIAA Cc1cccc(O)c1C(=O)OCc1sc(-c2ccccc2)nc1C 2325853571 VCJMZQHZUHORDD-UHFFFAOYSA-N 339.416 4.490 0 50 EIAA C[C@@H](NCCCc1nc2ccccc2s1)c1cccc2c1OCO2 2325870275 QHOBTJWDPWEESS-CYBMUJFWSA-N 340.448 4.308 0 50 EIAA COc1ccc(-c2ccc(CN3CCC[C@@H](OC)C3)s2)cc1F 2356136663 DINTTWSDQCRYHI-CQSZACIVSA-N 335.444 4.174 0 50 EIAA Cc1cccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1C 37929 UOEZEJCRTBOPAD-UHFFFAOYSA-N 338.451 4.311 0 50 EIAA COc1ccc([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)cc1OC 4812723 VPRHXMASMQZGOF-LSDHHAIUSA-N 327.424 4.075 0 50 EIAA COc1ccc2[nH]/c(=N/C(=O)/C=C/c3ccccc3Cl)sc2c1 9087854 AAMXSLMMVPQFPF-RMKNXTFCSA-N 344.823 4.032 0 50 EIAA CN(c1ncccc1CNC[C@H]1CCOC(C)(C)C1)C1CCCCC1 11873150 RPMDOCDBPZXXIH-KRWDZBQOSA-N 345.531 4.145 0 50 EIAA C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)NC1CCCCC1 12000789 XKHKGYXPHIPBAB-CQSZACIVSA-N 341.480 4.073 0 50 EIAA CCOC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1C(F)(F)F 40566572 LYTSKLUKUQXMGW-NSHDSACASA-N 341.112 4.263 0 50 EIAA OCCCn1cnc(-c2ccccc2)c1-c1cnc2ccccc2c1 65394082 NCUBBCBGCSMJJO-UHFFFAOYSA-N 329.403 4.148 0 50 EIAA Cc1ccsc1-c1nc(CN2CC(N3CCCC[C@@H]3C)C2)c(C)o1 67714287 WHSAUZISIVEXIX-AWEZNQCLSA-N 345.512 4.079 0 50 EIAA C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1 170601625 AZNDSWXVZQQKBH-UZLBHIALSA-N 346.434 4.247 0 50 EIAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1O 230515194 IXIZGNIBMVWAHO-UHFFFAOYSA-N 349.452 4.024 0 50 EIAA C[C@@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 253409290 ZYZBUARHBCRTFR-BUVFEPMLSA-N 335.447 4.109 0 50 EIAA COc1cccc(-c2noc([C@H]3CC(C)(C)Oc4ccccc43)n2)c1 904602607 PWWKOXLSOIYHHN-INIZCTEOSA-N 336.391 4.438 0 50 EIAA CN(C(=O)NC1(Cc2cccc(F)c2)CCC1)c1ccc(F)cc1 1475218211 IYFLHILRLPDQED-UHFFFAOYSA-N 330.378 4.276 0 50 EIAA COc1cccc2c1CC[C@H]2NC(=O)c1ccc(O)c(C(C)(C)C)c1 1875362656 OEHRDLUZVWBFHG-QGZVFWFLSA-N 339.435 4.116 0 50 EIAA COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 43180 HTUIDKAJLQOCHJ-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccc(OC(=O)C2CCCCC2)c(-n2nc3ccccc3n2)c1 285332 CZSPULXDAVGHQX-UHFFFAOYSA-N 335.407 4.215 0 50 EIAA CC(=O)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 450521 PJCBVNIFHVBZLA-UHFFFAOYSA-N 348.427 4.169 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(OC(F)(F)F)c1 450729 XPRQPJCMFILAIZ-UHFFFAOYSA-N 329.705 4.420 0 50 EIAA S=C1N(c2ccccc2)[C@H](c2ccccc2Cl)N2CCCN12 551755 QISSZKUTKJUFEM-MRXNPFEDSA-N 329.856 4.066 0 50 EIAA COc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1OC 612173 PHYXZCLZFCJMON-UHFFFAOYSA-N 328.437 4.001 0 50 EIAA Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 2661710 HSQIYJMQYYYHJT-UHFFFAOYSA-N 329.856 4.352 0 50 EIAA Cc1ccccc1-n1c(S)nnc1-c1csc2c1CCCC2 6533992 DELOHLXLWZLXSP-UHFFFAOYSA-N 327.478 4.472 0 50 EIAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1Cl 6819399 CJGYRTSDZAVFNM-HNNXBMFYSA-N 349.858 4.197 0 50 EIAA O=C(Cc1ccc(Cl)cc1)Nc1ccccc1OC[C@@H]1CCCO1 10156012 AYUUEDYHCMOMAV-INIZCTEOSA-N 345.826 4.079 0 50 EIAA Cc1ccc(C(=O)N2CCC(C)CC2)cc1NC(=O)c1ccccc1 12866150 DAFGBKYMYATSHH-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA COC(=O)c1cc(Cl)c2cc(OCc3ccccc3)ccc2n1 21986847 KINDXDNXWNKULX-UHFFFAOYSA-N 327.767 4.254 0 50 EIAA CC[C@@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O 27645250 XYDVGNAQQFWZEF-YQLHGUCYSA-N 336.472 4.158 0 50 EIAA endogenous,in-man Cc1cc(C)n(CCn2cnc(-c3ccccc3)c2-c2ccco2)n1 65385809 PAEIUECFDLCYNK-UHFFFAOYSA-N 332.407 4.324 0 50 EIAA c1ccc(-c2ncn(C[C@@H]3CCCO3)c2-c2cccc3c2OCO3)cc1 65398488 BMNSNRBHKMHWRC-INIZCTEOSA-N 348.402 4.125 0 50 EIAA Cc1cc(C)c(C(=O)NCC2=CCCN([C@H]3C=CCCC3)C2)c(C)c1 65528276 BFPYUYKPNQRRAZ-FQEVSTJZSA-N 338.495 4.082 0 50 EIAA Cc1nc(-c2cccc(-c3ccc([C@H](C)N4CCOCC4)cc3)c2)no1 67654897 LUCXVYOHCSMDNG-HNNXBMFYSA-N 349.434 4.105 0 50 EIAA Cc1ccc2cccnc2c1OCc1nc(CCc2ccccc2)no1 72147955 QGJRGFAMQLNFAG-UHFFFAOYSA-N 345.402 4.290 0 50 EIAA Cc1ccc2ncccc2c1CN1CCC([C@H](C)N2CCCC2)CC1 72424594 AROJERNBAMHBJS-SFHVURJKSA-N 337.511 4.240 0 50 EIAA CCOc1ccc(NC(=O)N2CCC(F)(F)CC2)cc1-n1cccc1 96136620 DWEIUTUESFFGNP-UHFFFAOYSA-N 349.381 4.139 0 50 EIAA Cc1ccc(-c2nnc3n2CCCCC3)cc1NCc1cncs1 158864525 NAROAYXNECJYGK-UHFFFAOYSA-N 339.468 4.049 0 50 EIAA C[C@H](C1CC1)n1cc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cn1 186477511 YNYVXCNREYGTSO-LLVKDONJSA-N 342.830 4.170 0 50 EIAA Cc1ccc(Cc2sc(NC(=O)Nc3c[nH]nc3C)nc2C)cc1 194501950 GEYCWDVSPBLGPW-UHFFFAOYSA-N 341.440 4.026 0 50 EIAA CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1ccc(F)cc1)c1cccnc1 221830670 JIFBHEAKSHKMJH-GGPKGHCWSA-N 338.426 4.205 0 50 EIAA Brc1c(I)sc2ccccc12 222522537 CVVNUGQTAJJZGV-UHFFFAOYSA-N 338.995 4.268 0 50 EIAA Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 238936945 SPTDNUYDNPCVID-YTFOTSKYSA-N 329.490 4.397 0 50 EIAA Cc1cccc([C@H](C)C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 241720763 QRZQNBYBRDEBLP-JVPBZIDWSA-N 343.854 4.398 0 50 EIAA Cc1ccc2nc(CN3CCC(c4nccn4C(C)C)CC3)[nH]c2c1 252490709 KZJXPMKJMUMISX-UHFFFAOYSA-N 337.471 4.028 0 50 EIAA CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(C)[C@@H](C)c2ccccn2)cc1 253392828 HUXPXURGUJLMAZ-CVEARBPZSA-N 338.451 4.243 0 50 EIAA O=C(O)C1CCC(N[C@@H](Cc2ccccc2)c2ccccc2F)CC1 263396311 GSEGXGAEWABYQO-UHYCVJNDSA-N 341.426 4.343 0 50 EIAA O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cc(Cl)ccn1 263588706 XLFSBFLWMVLUHH-AWEZNQCLSA-N 331.828 4.216 0 50 EIAA COC(=O)Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 334161186 VZQVIANSNWNREK-UHFFFAOYSA-N 330.723 4.259 0 50 EIAA C[C@H](c1ccccc1F)N1CCC(c2ccccc2C(=O)O)CC1 364837306 FPQDBOZNAMEDFY-CQSZACIVSA-N 327.399 4.465 0 50 EIAA O=C(c1onc2c1CCCC2)N1CCCC[C@H]1c1ccc(F)cc1 426649686 NVNGOXUNUOUIFA-KRWDZBQOSA-N 328.387 4.060 0 50 EIAA Cc1cnc(C)c(-c2ccc(C(=O)N(C)[C@H](C)c3ccco3)cc2)n1 426662012 LEWWBUMHQLMJMA-OAHLLOKOSA-N 335.407 4.187 0 50 EIAA COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cccc2cc[nH]c12 468525752 ZNUXFRJLEJCNHS-INIZCTEOSA-N 334.419 4.026 0 50 EIAA COc1ccc2[nH]c(C(=O)Nc3ccnn3C3CCCC3)c(C)c2c1 1529166973 BRTOTKLCHBQTGZ-UHFFFAOYSA-N 338.411 4.049 0 50 EIAA CCOC(=O)c1ccc(Sc2ncnc3cc(C)ccc23)c(F)c1 1875354553 ITTQPVRJDXTIDU-UHFFFAOYSA-N 342.395 4.405 0 50 EIAA CC1(C)CC(=O)c2cc(C(=O)O[C@@H]3CCCCC3(C)C)c(O)nc2C1 1875357201 WUSCDGPCXFKTLH-MRXNPFEDSA-N 345.439 4.068 0 50 EIAA Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(C)c3C)sc2n1 180202 LLXUBCHMTVDDFO-UHFFFAOYSA-N 325.437 4.364 0 50 EIAA COc1cc(NC(=O)c2ccc(C)c(C)c2)ccc1NC(=O)C(C)C 556320 UWTRWMNNALCFMR-UHFFFAOYSA-N 340.423 4.159 0 50 EIAA O=C(NCc1ccco1)c1cc(-c2ccc(Cl)cc2Cl)on1 815124 MNCADKJWSNZGNG-UHFFFAOYSA-N 337.162 4.171 0 50 EIAA O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCO2 2620910 WJCJDOBEGGEICY-UHFFFAOYSA-N 331.371 4.264 0 50 EIAA O=C(NCc1ccco1)c1cccc2c(Br)cccc12 2982728 JFTFCTRQXMLKAJ-UHFFFAOYSA-N 330.181 4.125 0 50 EIAA COC[C@@H](C)NCc1cc2cc(C)ccc2nc1-c1ccc(F)cc1 11995929 MMNAVASCNLZGFW-OAHLLOKOSA-N 338.426 4.474 0 50 EIAA O=C(/C=C\c1ccco1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 13646627 OAIMBCNIHVOSTO-KTKRTIGZSA-N 347.330 4.242 0 50 EIAA Cl/C(=C\c1ccccc1)CN1CCN(Cc2ccccc2)CC1 19633680 HOUDRLFYDSKMCK-HKWRFOASSA-N 326.871 4.084 0 50 EIAA CC[C@@H](C)CCCOC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F 43198770 CVDVLBUUDPPNJU-CJNGLKHVSA-N 332.362 4.460 0 50 EIAA CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)on1 64985070 KFOONNLRVOCTDB-CQSZACIVSA-N 337.782 4.399 0 50 EIAA CNc1ncc(-c2ccccc2CN(C)C)c(-c2ccc(C)cc2)n1 65497564 OGWIVKGYFHKWAR-UHFFFAOYSA-N 332.451 4.222 0 50 EIAA CCCC(=O)Nc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccc1C 67691646 CTXWPLXNYMWOQO-UHFFFAOYSA-N 348.450 4.304 0 50 EIAA O=C1[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 101893231 DGJJBGKNEXEONI-IYWMVGAKSA-N 335.447 4.483 0 50 EIAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(C2CC2)on1 179205437 AXKOYFDCHHXBAE-LLVKDONJSA-N 333.457 4.274 0 50 EIAA Cc1nscc1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 181987522 SAGJYKPXSFOAIU-UHFFFAOYSA-N 343.427 4.092 0 50 EIAA O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)C1CCC(O)CC1 194166355 MTOYQYCLUOSZDX-UHFFFAOYSA-N 337.847 4.151 0 50 EIAA Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(F)nc2F)o1 253424333 DSTSHVRDESFTHN-GXFFZTMASA-N 335.354 4.266 0 50 EIAA Cc1noc(C)c1-c1cccc(C(=O)N(C)[C@H](C)c2nccs2)c1 299781699 LTIUKOJGFJNODP-GFCCVEGCSA-N 341.436 4.248 0 50 EIAA CC(C)(C)c1ccc([C@H]2CCCN2c2cc(Cl)nc(N)n2)cc1 917084908 DOKFEADLDVMQNZ-CQSZACIVSA-N 330.863 4.351 0 50 EIAA CC(C)c1scnc1NC(=O)N1CCC[C@@H]1c1ccc(O)cc1 931455479 YUDPJQOPIIORTN-CQSZACIVSA-N 331.441 4.341 0 50 EIAA CCCCc1ncc(CN[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)[nH]1 952975497 KHUCNJRBVQIWCN-IBGZPJMESA-N 339.487 4.424 0 50 EIAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cccc4ccccc34)C[C@H]2C1 1529189159 JDPFOXHCCGTHBN-QGFMHUBQSA-N 336.479 4.031 0 50 EIAA COc1cc(C)c(C)cc1S(=O)(=O)Oc1ccc(Cl)c(C)c1 1776004286 OJELMVFHFXHDAD-UHFFFAOYSA-N 340.828 4.042 0 50 EIAA COc1c(Cl)cc(Cl)cc1-c1nccn1C1CCOCC1 1857739557 NBZOHBZLWSZDBL-UHFFFAOYSA-N 327.211 4.217 0 50 EIAA C[C@@H]1C[C@H]1c1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)nc3)C2)o1 2325803139 SDZPMWAULBXDSZ-MRVWCRGKSA-N 330.815 4.081 0 50 EIAA CCCCOc1cc(F)ccc1-c1ccc(CN(C)C)cc1CO 2356141662 KMNSIGYJSQDODM-UHFFFAOYSA-N 331.431 4.226 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](CC)C2 173254 QDVMSOINSAONLU-NSHDSACASA-N 347.436 4.285 0 50 EIAA COc1cccc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)c1 377177 FVXOSUBDVIOVQZ-UHFFFAOYSA-N 349.415 4.324 0 50 EIAA COc1cccc(NC(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c1 12298815 NIPJMQINDGIIRF-QGZVFWFLSA-N 345.487 4.004 0 50 EIAA O=C(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 15839951 AIAZEQOVHJCIHQ-HXUWFJFHSA-N 336.822 4.183 0 50 EIAA CCC(CC)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 20454958 ODELAZRTQUESIP-UHFFFAOYSA-N 334.366 4.205 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@H](c3ccc(O)cc3)O2)C1 40449998 DCQWZNDAHMRGIR-APWZRJJASA-N 333.428 4.013 0 50 EIAA c1ccc(CN(Cc2ccccc2)Cn2nnc3ccccc32)cc1 55483770 SDLZRPHXJNFLIO-UHFFFAOYSA-N 328.419 4.091 0 50 EIAA O=C(c1ccc(N2CCCC2)nc1)N1CCC[C@H](c2ccccc2)CC1 66762249 FSGANIUELFXPSA-IBGZPJMESA-N 349.478 4.092 0 50 EIAA CCC[C@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67983135 NKQUFECKRIYCNV-LBPRGKRZSA-N 334.366 4.205 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)ccc1O 71388817 UXJSMNGRJQIKAO-MRXNPFEDSA-N 341.426 4.325 0 50 EIAA CC[C@H](c1nc(C)c(C)s1)n1cc(-c2csc(C(C)=O)c2)nn1 92021001 SKBZAFKNJFMKMY-CQSZACIVSA-N 346.481 4.282 0 50 EIAA C1=C[C@H]2C[C@H]1C[C@@H]2CN1CCN(Cc2cccc3ccccc23)CC1 100800958 NWDHOEOULGWUOX-RCZSKKKRSA-N 332.491 4.170 0 50 EIAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCCc1ccc2ccccc2c1 179121977 KFOULHSZSJRAMP-AWEZNQCLSA-N 335.451 4.032 0 50 EIAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCC[C@@H]1c1ccncc1 184497348 NTGPEMPTQUEPAT-MRXNPFEDSA-N 343.814 4.039 0 50 EIAA Cc1nc([C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2)cs1 186995636 JBMOMEBJLUZCPV-CQSZACIVSA-N 340.370 4.448 0 50 EIAA CCC(CC)n1ncc(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1C 191447835 FTAZCNDVCUTFPZ-GOSISDBHSA-N 341.455 4.115 0 50 EIAA COc1ccc(C(=O)O)nc1-c1ccc([C@H](C)N2CCCCC2)cc1 223624755 WZBZBRHSAMSFFV-AWEZNQCLSA-N 340.423 4.002 0 50 EIAA Cc1nnc([C@@H](C)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)o1 225550040 SWVUHQBAEVOQNS-VHSXEESVSA-N 344.242 4.145 0 50 EIAA Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C[C@@H](N)c2ccccc2)cc1 237699817 FSJRMKRTMAHZGJ-WEYGHZABSA-N 336.479 4.385 0 50 EIAA Cc1c([C@@H](C)NCc2ccc(NC(=O)C(C)C)cc2)cnn1C(C)C 242339177 ZFNRVWNVGYUOSA-OAHLLOKOSA-N 342.487 4.218 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN[C@H](C)c1ccccc1 252438241 JTFAPYUEBOLXAA-JBYOPCTKSA-N 333.516 4.176 0 50 EIAA Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2cccc3cccnc23)s1 359238252 INIXRGDYFFWVJM-CYBMUJFWSA-N 339.464 4.070 0 50 EIAA c1cncc(-c2noc([C@H]3CCn4c(cnc4C4CCCCC4)C3)n2)c1 373276426 YJFFBUHPKQYNFP-HNNXBMFYSA-N 349.438 4.106 0 50 EIAA C[C@@H](NCc1nc2c(s1)C(C)(C)CC(C)(C)C2)c1csnn1 930726325 NEMHAFKYOGISIM-SNVBAGLBSA-N 336.530 4.095 0 50 EIAA Cc1ccc(-c2nnc(NC(=O)c3csc(C(C)C)n3)s2)cc1 1529178461 LVYYQIISEOJURS-UHFFFAOYSA-N 344.465 4.346 0 50 EIAA C[C@@H](c1nc(-c2ccnc3ccccc23)no1)C1CCC(C)(O)CC1 1875392762 RYYHJMYFPOVMNR-WCGZIJFHSA-N 337.423 4.330 0 50 EIAA CCCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1C 200833 XPPSGYCNYGEOAU-INIZCTEOSA-N 335.451 4.370 0 50 EIAA CC(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 406492 NWRDCPRKMXFJGF-OAHLLOKOSA-N 338.190 4.236 0 50 EIAA COc1ccc(Cl)cc1NC(=S)N1c2ccccc2C[C@H]1C 609482 FYZXWEQVRVRKEV-LLVKDONJSA-N 332.856 4.497 0 50 EIAA Cc1ccc(C(C)C)cc1OC[C@H](O)Cn1c(C)nc2ccccc21 620028 PBZDKVKIVUISFF-GOSISDBHSA-N 338.451 4.216 0 50 EIAA Cn1c(-c2sc(=S)n(-c3ccccc3)c2N)nc2ccccc21 1477081 DPEBERJKOZUHJO-UHFFFAOYSA-N 338.461 4.404 0 50 EIAA Cc1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)no1 4503003 KOWDHXINVCLMIO-UHFFFAOYSA-N 331.224 4.162 0 50 EIAA COc1ccc(CCN[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1 4986017 QBWVCTNWZKFBEE-CQSZACIVSA-N 337.385 4.477 0 50 EIAA COc1ccc(Cl)cc1-n1c(S)nnc1CCc1ccccc1 6490753 YXVWZOIQPSVXEY-UHFFFAOYSA-N 345.855 4.003 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)cc1C 6697927 JSMKYEZGDVWNRE-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1ccncc1 8718610 VZCOOAIPSNANRU-UHFFFAOYSA-N 341.414 4.020 0 50 EIAA COCCCC1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 12386709 CEJXOXWTWCRNKR-UHFFFAOYSA-N 349.862 4.029 0 50 EIAA CCCCC[C@@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CCCC(=O)O 40165199 NNPWRKSGORGTIM-UOUIVJIRSA-N 336.472 4.158 0 50 EIAA endogenous,in-man Cc1nc[nH]c1-c1nccn1C[C@@H](c1ccccc1)N1CCCCCC1 71385592 OHIKKRXBPHIYAU-IBGZPJMESA-N 349.482 4.199 0 50 EIAA Cc1occc1C(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 77418963 FFRLTCZZMVAVJH-IBGZPJMESA-N 326.440 4.017 0 50 EIAA CC(C)c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)n(C)n1 215932089 VLMVVUCMLJCQEE-UHFFFAOYSA-N 331.847 4.006 0 50 EIAA CCc1cccc(C)c1NC(=O)CN1CCn2c(Cl)ccc2[C@H]1C 225843537 CGBRVORCTKFXQC-CQSZACIVSA-N 345.874 4.028 0 50 EIAA CCOC(=O)c1ccc(-c2cccc(Br)c2)nc1Cl 263622941 CHFAKMVYQWXHCM-UHFFFAOYSA-N 340.604 4.341 0 50 EIAA CC(C)n1cccc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273467891 FCIGTFCKADBBEA-HKUYNNGSSA-N 344.430 4.200 0 50 EIAA C1CC[C@@H]2[C@H](C1)CCC[C@H]2c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 329638550 YUNKDNANHSCCNZ-DUQPFJRNSA-N 345.487 4.069 0 50 EIAA CCc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccco1 482325 BTROJXFIRVAOIO-UHFFFAOYSA-N 334.375 4.347 0 50 EIAA CCC(CC)C(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1 614942 SYRIROCEPDCRLA-UHFFFAOYSA-N 338.451 4.034 0 50 EIAA biogenic O=Cc1cc(Cl)ccc1OCc1cccc(Br)c1 2558308 DWWGUKXEGWKCRU-UHFFFAOYSA-N 325.589 4.494 0 50 EIAA CCCCOC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 2912526 GJDNHSKMTWUSHC-UHFFFAOYSA-N 325.821 4.131 0 50 EIAA O=C(CCCc1cccs1)N1CCC[C@@H](Nc2ccccc2)C1 11844368 OMRKJQQLFSTTOM-QGZVFWFLSA-N 328.481 4.174 0 50 EIAA Oc1cc(-c2ccccn2)cc2c1OCCN(C[C@@H]1CC=CCC1)C2 14981279 YZOUFOBQFRXQOQ-MRXNPFEDSA-N 336.435 4.005 0 50 EIAA CCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)csc1C 16603319 BOXIWQGGCRKALX-UHFFFAOYSA-N 342.508 4.013 0 50 EIAA C[C@@H](Cc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 23280949 FFGNWUUJSNHHRM-KRWDZBQOSA-N 326.459 4.011 0 50 EIAA C[C@@H](Cc1cccn1C)SCCS[C@@H](C)Cc1cccn1C 34133928 KEGBAOOLUARJQD-HOTGVXAUSA-N 336.570 4.392 0 50 EIAA CSc1cccc(-c2nc3c(cnn3Cc3cccs3)[nH]2)c1 48234011 DLTISFCMASBMTR-UHFFFAOYSA-N 326.450 4.258 0 50 EIAA Fc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 55292197 XRLIGBOWQIKRRA-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA CCc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)o1 67886622 VQXSREPJBWVPGC-GFCCVEGCSA-N 345.393 4.465 0 50 EIAA O=C(Nc1ccnn1C1CCCC1)c1ccc(N2CCCCC2)cc1 81820675 LUNNCHOHCQBERV-UHFFFAOYSA-N 338.455 4.241 0 50 EIAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1Cc2ccccc2C1 95375054 QAMRGBOIEBOORA-UHFFFAOYSA-N 339.398 4.157 0 50 EIAA CC(C)n1c([C@@H]2CCCN(C(=O)C3=CCCC3)C2)nc2ccccc21 120697444 RPWPRSKWRFUDOJ-QGZVFWFLSA-N 337.467 4.434 0 50 EIAA Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)[nH]c2ccccc12 146366103 JZGGWIJEPOBNFP-UHFFFAOYSA-N 347.201 4.396 0 50 EIAA O=C1C[C@H](c2noc(-c3cccc(Cl)c3)n2)CN1C1CCCCC1 169762191 KXLFUIJIJJUHJO-ZDUSSCGKSA-N 345.830 4.039 0 50 EIAA O=C(NCC1(O)CCCCCC1)c1ccc2c(c1)Cc1ccccc1-2 170633139 AUHJOIQYGWQXMT-UHFFFAOYSA-N 335.447 4.073 0 50 EIAA CSc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)cc1F 225416320 NKVLSKBKFRWAPI-UHFFFAOYSA-N 341.411 4.294 0 50 EIAA CSc1ccccc1NC(=O)NCC1(COc2ccccc2)CC1 244700928 JWOTWBJLYIGFHS-UHFFFAOYSA-N 342.464 4.389 0 50 EIAA c1ccc([C@H]2OCC[C@@H]2CNCc2cnc(C3CCC3)s2)cc1 328632732 SBYFOWBMLTYYAM-SJLPKXTDSA-N 328.481 4.278 0 50 EIAA Fc1ccc(F)c2c1OCC[C@H]2NCc1cnc(C2CCC2)s1 361235654 DLPPCKUBXGBNAS-CQSZACIVSA-N 336.407 4.302 0 50 EIAA O=C(NCc1cc2ccccc2[nH]1)c1ccncc1Oc1ccccc1 442013943 KMUCISGBWVASBA-UHFFFAOYSA-N 343.386 4.285 0 50 EIAA COc1ccc(CN[C@@H](C)c2csc(-c3ccccc3F)n2)cn1 462881722 QKQVAFVQCIHKNO-LBPRGKRZSA-N 343.427 4.204 0 50 EIAA O=C(Nc1cccc2ccsc12)c1ccn(-c2cccc(F)c2)n1 676956226 PGUCOZYORASWEK-UHFFFAOYSA-N 337.379 4.478 0 50 EIAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)CCCc2cccs2)cc1 828052280 QFLXEVCJVWATHN-AWEZNQCLSA-N 342.464 4.225 0 50 EIAA Cc1cccc2cc(C(=O)OCc3ccc(-n4ccnc4)cc3)cnc12 2325855845 RDKWBUVSZOLWPI-UHFFFAOYSA-N 343.386 4.086 0 50 EIAA COc1c(C)cc(Nc2ccc(-n3cncn3)c(Cl)c2)cc1C 2356155577 IQYQGTXSXJZULQ-UHFFFAOYSA-N 328.803 4.290 0 50 EIAA O=C(/C=C/c1ccco1)Nc1nc2ccc(Br)cc2s1 433946 HTCGRUXXFBGSTR-GQCTYLIASA-N 349.209 4.304 0 50 EIAA COc1ccc(CNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 1060342 GGHIGGZFXRRWOW-INIZCTEOSA-N 325.452 4.314 0 50 EIAA O=C(COc1ccccc1)NCCC(c1ccccc1)c1ccccc1 1113308 HRZNQJCMKPPWRJ-UHFFFAOYSA-N 345.442 4.404 0 50 EIAA O=C(O)c1cc(Br)ccc1OCc1ccc(Cl)cc1 1566109 RTKVIEICPQFBFD-UHFFFAOYSA-N 341.588 4.380 0 50 EIAA CCCCOCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1850411 NCMJQZVNCFTQPG-NSHDSACASA-N 335.227 4.121 0 50 EIAA Cc1cc(Cl)ccc1OCCCCn1cnc2ccccc2c1=O 2863184 JRBJLYMJQYFMMY-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA C[C@]12CCC[C@@H]1[C@@H]1CC(=O)[C@H]3CC4(CC[C@]3(C)[C@@H]1CC2)OCCO4 5276488 LJKNOBNXTYYVSU-CETRPMQOSA-N 332.484 4.341 0 50 EIAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CC1CCCCC1 6700927 VUXMGBYJARCLOO-UHFFFAOYSA-N 341.455 4.444 0 50 EIAA O=C(c1cccc2ccccc12)[C@@H]1CCCN(Cc2cccnc2)C1 11821362 UIURJAPONCETKF-LJQANCHMSA-N 330.431 4.330 0 50 EIAA COc1cc(OC)c(NC(=S)Nc2ccc(F)cc2)cc1Cl 16281548 LNMALBFIUSAZHV-UHFFFAOYSA-N 340.807 4.305 0 50 EIAA COc1ccccc1-c1ccc2c(c1)c(CC(N)=O)cn2CC(C)C 28888287 VVFSMYPKXKRBFB-UHFFFAOYSA-N 336.435 4.001 0 50 EIAA FC(F)(F)Oc1cc(Br)c2nc(S)sc2c1 40456707 JQMOBYLYYWNJBN-UHFFFAOYSA-N 330.150 4.246 0 50 EIAA in-vitro COc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c(F)c1 72429826 UJPHJKZJWFJBQD-UHFFFAOYSA-N 348.381 4.385 0 50 EIAA COc1ccccc1OC1CN(c2ccc3cc(Cl)ccc3n2)C1 96130977 ULEXCQLAZHJWIN-UHFFFAOYSA-N 340.810 4.164 0 50 EIAA Clc1cccc2ccc(CN3CCC[C@H](c4ccncn4)C3)nc12 97694970 JRBDSNAVCJZIBC-HNNXBMFYSA-N 338.842 4.058 0 50 EIAA FC(F)(F)c1ccc(CNCc2ccc(C3OCCO3)cc2)cc1 114216884 ZPLPVFDYDUZLPV-UHFFFAOYSA-N 337.341 4.041 0 50 EIAA CC(=O)NCC(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1 133037829 VSSMHHWTCCTKKJ-UHFFFAOYSA-N 342.464 4.036 0 50 EIAA CO[C@H](C)c1nsc(Oc2ccc3c(C(C)C)cc(=O)oc3c2)n1 252508878 XWQDYIJHEOODCS-SNVBAGLBSA-N 346.408 4.268 0 50 EIAA O=C(O)[C@@H]1CCCCN1Cc1ccc(Oc2cccc(F)c2)cc1 263436076 USGPVQHBMDFEOE-SFHVURJKSA-N 329.371 4.057 0 50 EIAA COc1ccc2oc([C@H](C)NC(=O)c3ocnc3C3CC3)c(C)c2c1 289898092 YFUYKISTOWYPOA-NSHDSACASA-N 340.379 4.106 0 50 EIAA C[C@@H]1CCCN1Cc1ccc(-c2ccc(CCN)cc2)cc1Cl 2356137099 FQRZXOCBWMYOQS-OAHLLOKOSA-N 328.887 4.493 0 50 EIAA CC(C)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 190574 JECFKUXVMBBLQZ-UHFFFAOYSA-N 338.359 4.018 0 50 EIAA biogenic COc1ccccc1-n1c(-c2ccccc2F)nc2ccccc2c1=O 196348 ZTYWJSPRQMVMCW-UHFFFAOYSA-N 346.361 4.200 0 50 EIAA COc1cccc(CNc2ccc(C)cc2Br)c1OC 243752 YYHBBZIIEPCKMX-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA CSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 335931 KDHXGZJLEYCMTG-LRDDRELGSA-N 340.452 4.137 0 50 EIAA CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1F 355986 BNQXZLONSNGBII-UHFFFAOYSA-N 335.400 4.440 0 50 EIAA O=C(Nc1ccc(Br)cn1)Nc1ccccc1Cl 444785 PVWMMGQNVFVDNF-UHFFFAOYSA-N 326.581 4.142 0 50 EIAA CCSc1nnc(NC(=O)/C=C/c2ccc(C(C)C)cc2)s1 476401 JHBWJNVEYDAKCK-JXMROGBWSA-N 333.482 4.425 0 50 EIAA Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 2522882 PJWNWKCEAVLPQI-QPJJXVBHSA-N 342.855 4.118 0 50 EIAA CC1CCN(C(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 2806829 MVAWPZPDBGRFJX-UHFFFAOYSA-N 348.903 4.014 0 50 EIAA CN(C)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 3095996 CEMZZHXQXOJSON-UHFFFAOYSA-N 339.222 4.077 0 50 EIAA c1cc(NCc2ccc3c(c2)OCO3)cc(-c2nc3ncccc3o2)c1 4842621 DCVJGRKOCNHJOS-UHFFFAOYSA-N 345.358 4.231 0 50 EIAA COc1cccc(C(=O)[C@H]2CCCN(C(=O)CC3CCCCC3)C2)c1 11767613 HQBVTLBZVKKCRR-SFHVURJKSA-N 343.467 4.087 0 50 EIAA Cc1c(Cl)cccc1-c1ccc(CNCCOc2ccccn2)o1 57354917 DJKLFDHKYRFCES-UHFFFAOYSA-N 342.826 4.472 0 50 EIAA C/C(=C\c1ccccc1)[C@@H]1CC(=O)Nc2[nH]nc(-c3cccnc3)c21 65386069 ICZFRGNWVFGFDX-ISBHARSQSA-N 330.391 4.001 0 50 EIAA Fc1ccc(Br)c(Cl)c1-c1nc2ccncc2[nH]1 95704843 QIAQHJKAPBHMMQ-UHFFFAOYSA-N 326.556 4.180 0 50 EIAA COc1cc2c(cc1OC)CN(CC1=CC[C@H]3C[C@H]1C3(C)C)CC2 100417467 SCXFGMGLNMAOAA-ZWKOTPCHSA-N 327.468 4.054 0 50 EIAA Clc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1 100622321 PLWADCAOTPQNOD-OAHLLOKOSA-N 344.205 4.036 0 50 EIAA Cc1n[nH]c(C)c1NC(=O)Nc1cccc(CCC(F)(F)F)c1 119788460 WFMVRBKANRYMNQ-UHFFFAOYSA-N 326.322 4.165 0 50 EIAA O=C(N[C@@H]1CCCc2c(O)cccc21)[C@H]1C[C@H]1c1ccccc1Cl 170611447 YEAYVLYAQSNVAZ-XYJFISCASA-N 341.838 4.343 0 50 EIAA CN1C[C@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21 241383245 MTQQKSFSIDTXPU-MRXNPFEDSA-N 349.459 4.057 0 50 EIAA C[C@H](C(=O)Nc1nccnc1C1CC1)c1c(Cl)cccc1Cl 906418398 NVALHCPQSVMWBG-VIFPVBQESA-N 336.222 4.403 0 50 EIAA CCc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c(C(=O)OC)c1 1360290817 ARJTURZTYRBZID-MJXNMMHHSA-N 337.419 4.024 0 50 EIAA Cc1cccc(CN(C(=O)c2ccc(C)nc2O)C2CCCCC2)c1 1506398740 SRZUAGZDWDLWII-UHFFFAOYSA-N 338.451 4.379 0 50 EIAA COc1ccc(NC(C)(C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 1506408545 SZJXRXPHOOPULI-INIZCTEOSA-N 340.467 4.380 0 50 EIAA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CCCCCC[C@@H]1O 1857689866 ZWZCQZGNXFMADB-SFTDATJTSA-N 337.463 4.096 0 50 EIAA Cc1cccc([C@@H](O)CN[C@H](CCC(F)(F)F)c2cccnc2)c1 1875273106 UBDUBXDWEFNUQO-SJORKVTESA-N 338.373 4.097 0 50 EIAA CN(C)c1cncc(F)c1CNc1ccc(/C=C/C(F)(F)F)cc1 1875329547 CBHIKPVUUIWYRH-BQYQJAHWSA-N 339.336 4.474 0 50 EIAA CC(C)(C)c1ccc(NC(=O)Nc2ccc3c(c2)COCC3)nc1 2325865252 UIDLUTOYLJRGIN-UHFFFAOYSA-N 325.412 4.096 0 50 EIAA Cc1cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)sc1-c1ccccc1 2356169163 VLQZIQYQFQVJRA-SHTZXODSSA-N 343.448 4.097 0 50 EIAA Cc1ccc(-c2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)cc1 98598 VIJRHHOOSJBKKL-GFCCVEGCSA-N 334.448 4.439 0 50 EIAA C[C@H]1CC(C)(C)C[C@]2(C1)NC(=S)N(c1nc3ccccc3s1)N2 197217 XYQIHLDLNHFALM-APPDUMDISA-N 346.525 4.038 0 50 EIAA COc1ccc(N[C@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 272445 JCMQLWPRURKMRA-OAQYLSRUSA-N 331.371 4.179 0 50 EIAA Cc1cc(C(C)(C)C)ccc1OCCn1cnc2ccccc2c1=O 311851 SLJIOOYGPQYNQL-UHFFFAOYSA-N 336.435 4.081 0 50 EIAA O=C(N[C@H](Sc1ccccc1)C(=O)c1ccccc1)c1ccccc1 389971 PLGKXEPYTSSYAC-OAQYLSRUSA-N 347.439 4.418 0 50 EIAA CCOc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1Cl 462244 CEQCWERPKZLVML-UHFFFAOYSA-N 326.179 4.350 0 50 EIAA CCCC(=O)Nc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 619912 UQUXDAOSMNFCHF-INIZCTEOSA-N 338.451 4.176 0 50 EIAA Nc1nc(SCCc2ccccc2)nc2sc3c(c12)CCCC3 2937017 SGJOGZCAZRQAMZ-UHFFFAOYSA-N 341.505 4.487 0 50 EIAA biogenic,in-vitro CCC(=O)Oc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 4842808 DLDOBMSUFDOPKO-UHFFFAOYSA-N 328.755 4.372 0 50 EIAA Cc1ccc(C)c(NC(=O)[C@H](CC(=O)O)[C@H](C)c2ccccc2)c1 4977243 BEZCBONOOWRFHY-NVXWUHKLSA-N 325.408 4.137 0 50 EIAA Cc1cc(OC[C@@H](O)CN[C@H](C)c2ccccc2)ccc1C(C)C 5073665 FEHSPDGIMNPGSF-MJGOQNOKSA-N 327.468 4.209 0 50 EIAA CC[C@H](C)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 7342054 FUKKJPDJIVPUIP-WFASDCNBSA-N 339.391 4.067 0 50 EIAA Cc1nn(C[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C 8714357 HSNFPIYHUDYDJG-SECBINFHSA-N 340.254 4.390 0 50 EIAA Cc1ccc2oc(C(=O)N[C@H](c3cccnc3)C(F)(F)F)c(C)c2c1 12303664 QDFMKJIJAILRCF-MRXNPFEDSA-N 348.324 4.478 0 50 EIAA Cc1oc(-c2ccoc2)nc1CN(C)Cc1cccc(-n2cccn2)c1 12430564 DYJFTEDTTSMIRH-UHFFFAOYSA-N 348.406 4.061 0 50 EIAA Cc1ccc([C@H](C)CCN2CCC(CCC(=O)N3CCCC3)CC2)o1 12472193 WNDQVFTVDXFVCZ-QGZVFWFLSA-N 346.515 4.196 0 50 EIAA COc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1OC 13496758 WPAJKYVSFZCBKB-UHFFFAOYSA-N 336.844 4.475 0 50 EIAA Cc1noc2nc(-c3cccs3)cc(C(=O)NC3CCCCC3)c12 13642199 ZWZNLBAXHCAOAV-UHFFFAOYSA-N 341.436 4.322 0 50 EIAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1nc(-c2cccs2)no1 14972368 HRTJEGLPVZQMPC-UHFFFAOYSA-N 342.399 4.051 0 50 EIAA Cc1ccc(CN2CCC(CN(C)C/C=C/c3ccccc3)CC2)o1 15068489 BAQBMSFOVWVWJB-RMKNXTFCSA-N 338.495 4.445 0 50 EIAA COCCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 16677697 NMSFRDZPIJAYCD-UHFFFAOYSA-N 340.810 4.489 0 50 EIAA C[C@H](c1ccon1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 65498023 FLXQKZOMZCYBEO-LLVKDONJSA-N 330.771 4.421 0 50 EIAA COc1ccccc1-c1ccc(N[C@H](C)c2csc(C)n2)nn1 67935215 OIYFAVIWSBYHLZ-LLVKDONJSA-N 326.425 4.090 0 50 EIAA COc1ccc(-c2ccc(-c3nc(C4CC4)no3)cn2)cc1Cl 72119568 MNWXDLVOZWZTAF-UHFFFAOYSA-N 327.771 4.338 0 50 EIAA CN(Cc1cccc2ncccc12)C(=O)c1c[nH]nc1C1CCCCC1 72419807 XSSUQQNQWSQQOL-UHFFFAOYSA-N 348.450 4.278 0 50 EIAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1nccs1 82120847 FXXQYVVMMSTLEK-NSHDSACASA-N 347.490 4.305 0 50 EIAA CN(C)CCO[C@@H](c1ccccc1)c1ccccc1Br 96026459 DCMSLAQPTQXLDH-KRWDZBQOSA-N 334.257 4.117 0 50 EIAA O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1C[C@H]1c1ccc(F)cc1 110567658 VZVCWHOTAKFGAH-IRFCIJBXSA-N 346.405 4.230 0 50 EIAA CCC(CC)n1ncc(C(=O)N2C[C@H](C)Oc3cc(C)ccc32)c1C 126717764 JGAXCUUJTLHUNX-AWEZNQCLSA-N 341.455 4.289 0 50 EIAA CCn1cc(C(=O)N(Cc2ccccc2C)C2CCCC2)c(C)n1 216388236 OVYXIHPOMGVSPZ-UHFFFAOYSA-N 325.456 4.105 0 50 EIAA CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@H]3CCCC[C@H]32)n1 239654176 BMUYXTMMALAHED-UKRRQHHQSA-N 335.879 4.438 0 50 EIAA Cc1cc(CN[C@H]2CCCc3nn(C)cc32)ccc1Oc1cccnc1 282146865 AAVDKPBMYHXMQZ-IBGZPJMESA-N 348.450 4.083 0 50 EIAA Cc1noc(C)c1NC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 332144146 KDINCSUGQHEPAJ-UHFFFAOYSA-N 340.210 4.188 0 50 EIAA CC(C)c1nc([C@@H]2CCCCN2c2nc(C3CCCC3)ns2)n[nH]1 333635463 BLODUQLFTXINAD-ZDUSSCGKSA-N 346.504 4.169 0 50 EIAA Cc1cc(-c2ccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)cc2)c(O)nc1C 534584231 KSRDATDIXFIHEB-KDURUIRLSA-N 348.446 4.109 0 50 EIAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)Cc1cccs1 828043171 OODQEFOFTCXABJ-UHFFFAOYSA-N 342.464 4.366 0 50 EIAA CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1cnc(C(C)(C)C)nc1 952845991 ZPIRODYFGRTCPF-MRXNPFEDSA-N 343.393 4.111 0 50 EIAA Cc1ccc(F)c(C(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)c1F 952978814 SQVVIRQUNKLWQG-LBPRGKRZSA-N 344.361 4.041 0 50 EIAA Cc1cc(CC(=O)Nc2ccccc2CN2CCCCC2)ccc1F 952981826 OAXSMVZQTDFMKJ-UHFFFAOYSA-N 340.442 4.301 0 50 EIAA Oc1cc(F)c(-c2ccccc2OCCn2ccnc2)cc1Cl 1772700254 AIRRGBQQWLXMIV-UHFFFAOYSA-N 332.762 4.127 0 50 EIAA Cc1c(C(=O)N2[C@H]3CC[C@H]2CC2(C3)N=N2)sc2cccc(F)c12 1775999494 SIEOHSNZPKOXMT-QWRGUYRKSA-N 329.400 4.278 0 50 EIAA Oc1cccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1Cl 1857683976 TZBOTTJMEXJXHN-GOEBONIOSA-N 345.874 4.174 0 50 EIAA O=C(O)[C@@H]1C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1857798424 GJSDHCKKSLPSSM-HZPDHXFCSA-N 338.794 4.381 0 50 EIAA O=C(O)c1cc(-c2ccccc2OC[C@H]2CCOC2)cc2cccnc12 2325822942 XRCPOLTVIASZJK-AWEZNQCLSA-N 349.386 4.015 0 50 EIAA CCOC(=O)c1oc(=N[C@@H](C)c2ccc(Cl)c(Cl)c2)[nH]c1C 2325824488 CNPWYQJPVITKDP-QMMMGPOBSA-N 343.210 4.062 0 50 EIAA COc1cc(CCC(=O)OCc2cc3cnccc3o2)ccc1Cl 2325855282 QFIKPTDDVIMFCC-UHFFFAOYSA-N 345.782 4.166 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 37585 GFSAUJZRPAFBGC-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 380520 RZKMNFBXGFBGET-UHFFFAOYSA-N 343.386 4.262 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2nc3ccccc3s2)cc1C 452321 LMRRSOWTHVBKMN-UHFFFAOYSA-N 341.461 4.040 0 50 EIAA Cc1cccc(NC(=S)Nc2cnn(Cc3ccccc3C)c2)c1 2794158 KWOBFJSNYJUFGR-UHFFFAOYSA-N 336.464 4.357 0 50 EIAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)cc1)CC(=O)N2 4488949 WOOYGDDWCXAJFR-OAHLLOKOSA-N 325.408 4.267 0 50 EIAA CCN(CC)CCNc1cc(-c2nc(C)cs2)nc2ccccc12 4542903 PEHLXOOSCOCFRR-UHFFFAOYSA-N 340.496 4.420 0 50 EIAA Cc1cc(C)c2c(CC(=O)NC3CC(C)(C)NC(C)(C)C3)coc2c1 4828245 MCALAPZVBGTGFN-UHFFFAOYSA-N 342.483 4.018 0 50 EIAA COc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 4837879 OCXWLCVGHDOCOX-UHFFFAOYSA-N 349.434 4.118 0 50 EIAA O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCCCCC1 9530976 QLPWXBKDIWYNMQ-UHFFFAOYSA-N 325.437 4.103 0 50 EIAA CCOCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 9818695 QGEMTSSBDMUVPH-UHFFFAOYSA-N 333.815 4.316 0 50 EIAA CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1 13618234 QYEWFXMKQXESGU-UHFFFAOYSA-N 348.446 4.478 0 50 EIAA COc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 13745360 MMYRLYQPHRURQE-NSHDSACASA-N 349.228 4.340 0 50 EIAA OC[C@]1(Cc2ccc(F)cc2)CCCN(Cc2cccc(Cl)c2)C1 14960934 YLQPFTRIDWEZPM-FQEVSTJZSA-N 347.861 4.296 0 50 EIAA O=C(Nc1ccc(F)cc1)c1cccnc1NCCc1ccccc1 19856996 XJZHGXBYPSICFK-UHFFFAOYSA-N 335.382 4.128 0 50 EIAA C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)c1ccc2c(c1)OCO2 20551183 WNCABITZEYCPKD-SECBINFHSA-N 336.750 4.091 0 50 EIAA CCc1nc(C)c(CN(Cc2ccncc2)Cc2ccc(F)cc2)[nH]1 55386050 WJRRMXBSTWNMLM-UHFFFAOYSA-N 338.430 4.017 0 50 EIAA CC(C)=CC(=O)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 71749402 RGQJVIHEBYUXCR-UHFFFAOYSA-N 331.419 4.081 0 50 EIAA CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 72115931 SUADHKATHDNEPQ-GFCCVEGCSA-N 337.345 4.131 0 50 EIAA Cc1cc(CN2CCCC2)ccc1OC[C@@H]1CCCN2CCCC[C@H]12 72409701 OJPWCVZEGLBEHC-LEWJYISDSA-N 342.527 4.234 0 50 EIAA C[C@H](c1cncs1)N(C)C(=O)c1csc(Cc2ccccc2)n1 82108189 QVAHBQLEULHNBC-GFCCVEGCSA-N 343.477 4.024 0 50 EIAA CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc(Cl)cc2)CC1 115007028 JVZAXENYZXSJSM-UHFFFAOYSA-N 334.847 4.423 0 50 EIAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)no1 124826840 IKCPJGJROMAZCR-QGZVFWFLSA-N 326.440 4.426 0 50 EIAA Clc1ccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c2ncccc12 151345947 RPNYSFAYEIATJC-KSSFIOAISA-N 348.899 4.033 0 50 EIAA Cc1cc(NC(=O)[C@H](N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccccc2)no1 230164859 PRESOVRBDLIODM-GCVCFTOTSA-N 341.455 4.077 0 50 EIAA O=C(C[C@@H]1CCCN1C(=O)CCc1ccsc1)c1cccs1 267497367 FZTMXXDCLSKHRJ-AWEZNQCLSA-N 333.478 4.006 0 50 EIAA Cc1cc(-c2cccc(C(=O)N(C)C3CCSCC3)c2)ccn1 299762906 DBOKACYUBBFQSL-UHFFFAOYSA-N 326.465 4.025 0 50 EIAA C=CC(=O)Nc1cc(NC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)ccc1F 829801254 OGHDXSLNRNDLDI-UOIKSKOESA-N 330.403 4.105 0 50 EIAA Clc1cc(Oc2ccc(-c3nnco3)cc2)nc(C2CCC2)n1 891466164 HYPFDEHZCNMJTK-UHFFFAOYSA-N 328.759 4.240 0 50 EIAA CC(C)(NC(=O)c1nc2ccccc2cc1C1CC1)c1nccs1 903447805 CSJFPVFXKYPGTI-UHFFFAOYSA-N 337.448 4.234 0 50 EIAA COc1cccc([C@H]2CCN(Cc3ccc(F)cc3Cl)C2)c1OC 1506396121 ACPGUWGJWZCXTP-ZDUSSCGKSA-N 349.833 4.486 0 50 EIAA CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)cc2N)CC1 1857783583 ZQZOXRNNWVDDSE-UHFFFAOYSA-N 344.377 4.402 0 50 EIAA Cc1ccc(-n2c(C)nnc2Sc2ncnc3ccsc23)cc1 1875256428 MNHVDZDHYZAJQF-UHFFFAOYSA-N 339.449 4.040 0 50 EIAA C[C@@H](NC(=O)c1cc2cccnc2s1)c1cccc(OC(F)F)c1 1875325177 SNBNSQWYSJHBLO-SNVBAGLBSA-N 348.374 4.389 0 50 EIAA O[C@H](Cn1nc(-c2ccccc2)cc1-c1ccccc1)C(F)(F)F 2325821338 GDSGPSYTSCZLOY-QGZVFWFLSA-N 332.325 4.140 0 50 EIAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)cc1)c1cccc2ccsc12 2325876176 MCDAFMLCDHYGDS-CQSZACIVSA-N 345.807 4.110 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(C)cc1C 467114 VRCAMKXOJMGPJX-UHFFFAOYSA-N 340.423 4.060 0 50 EIAA CCCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OC 2299966 FJFQGKQAKORBLM-MRXNPFEDSA-N 341.451 4.235 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(O)cc1 4512101 ZKXMREHLAITOBR-UHFFFAOYSA-N 328.755 4.261 0 50 EIAA CCC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1 4740593 WKNQFXKUCSZEIU-UHFFFAOYSA-N 347.212 4.050 0 50 EIAA CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCc1ccccc1 4814334 RCKPAPHIPVYHFG-UHFFFAOYSA-N 338.451 4.176 0 50 EIAA C[C@H]1CCC[C@@H](C)N1C[C@H](O)COC1CCC(C(C)(C)C)CC1 5073590 WPYJHCPYGNYTGC-WHBLYCTDSA-N 325.537 4.232 0 50 EIAA COc1cc2c(cc1OC)[C@@H](C)N(C(=S)Nc1ccccc1)CC2 8829168 PYEBXBDLDDUNBN-CYBMUJFWSA-N 342.464 4.020 0 50 EIAA Clc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccccc1 10474483 GNJQWXAOXNEYHM-KRWDZBQOSA-N 331.843 4.188 0 50 EIAA CC(C)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 12381841 BXPPGMQSMHTTST-UHFFFAOYSA-N 327.428 4.054 0 50 EIAA CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccco2)CC1 12711705 UUTFUVYLHJJDFQ-UHFFFAOYSA-N 341.451 4.058 0 50 EIAA CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 13330133 KCMRDYNQAJGGTH-HNNXBMFYSA-N 344.263 4.423 0 50 EIAA Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 20112837 KOOVCNVOZVGTES-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA CCCc1n[nH]c2c1CN(Cc1csc(-c3ccccc3)n1)CC2 20782066 NPCIGUKCNTUUKF-UHFFFAOYSA-N 338.480 4.044 0 50 EIAA CC(=O)Nc1cccc(-n2ccnc2-c2ccc([C@@H](C)N(C)C)cc2)c1 72153094 RVDBQXVVNKSCEN-OAHLLOKOSA-N 348.450 4.120 0 50 EIAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)n[nH]2)cc1 91441309 PNYLPDJMYWWOIN-HXUWFJFHSA-N 346.434 4.148 0 50 EIAA C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1 170601626 AZNDSWXVZQQKBH-JXFKEZNVSA-N 346.434 4.247 0 50 EIAA CCCCc1nc(Cl)c(CN2CCCC[C@@H]2c2cc(C)on2)[nH]1 215830659 DJSCALJWBJBAAW-OAHLLOKOSA-N 336.867 4.429 0 50 EIAA Cc1ccc(C[C@H](C)N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 244748646 OLRLMHLCUMQKRH-IYBAMBBISA-N 327.512 4.235 0 50 EIAA COc1cc(CNCc2cccc(NC(=O)C3CCC3)c2)ccc1C 252487775 IBLZAUMOOMESOM-UHFFFAOYSA-N 338.451 4.032 0 50 EIAA Cc1csc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1Cl 253430017 JKZJKESSERRPTK-NWDGAFQWSA-N 339.844 4.031 0 50 EIAA Clc1nc(N2CCCC2)sc1CN1C[C@H]2CCC[C@@H](C2)C1 253491975 OKVINBIJFBNKMU-STQMWFEESA-N 325.909 4.019 0 50 EIAA C[C@@H]1CC[C@@H](Nc2ccc3nc(C4CC4)oc3c2)[C@H](n2cncn2)C1 285045726 IGILZVYQJRQFNL-SRCQZFHVSA-N 337.427 4.139 0 50 EIAA CCc1nc(C)c([C@H](C)Nc2cnn(C3CCOCC3)c2C)s1 296636110 BQZIULDXPDDRFR-NSHDSACASA-N 334.489 4.043 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N(C)Cc3c(C)noc3C)cc2)c(C)n1 426662540 WHRYLGAGGSYESA-UHFFFAOYSA-N 349.434 4.242 0 50 EIAA O=C(Nc1cccc(CN2CCCC2)c1)C1(c2ccccc2F)CC1 827660633 QLITUOQQSCQUQL-UHFFFAOYSA-N 338.426 4.092 0 50 EIAA Clc1cccc(-c2nnc3n2CCCC[C@H]3C2CCOCC2)c1 952884123 YVQFZCDDAIHOMV-INIZCTEOSA-N 331.847 4.293 0 50 EIAA COc1cccc([C@@H]2CCN(Cc3ccc(F)cc3Cl)C2)c1OC 1506396113 ACPGUWGJWZCXTP-CYBMUJFWSA-N 349.833 4.486 0 50 EIAA CSc1ccc(NC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)cc1 1506402789 LKPKCQCQGGDQKM-UHFFFAOYSA-N 344.415 4.088 0 50 EIAA C[C@H](C(=O)NCc1cccc(C2CC2)c1)c1cc2ccccc2nc1O 1875342764 GJCLZCVQFMHINN-AWEZNQCLSA-N 346.430 4.238 0 50 EIAA Cc1nc(CCC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)[nH]c1C 2325773534 RFDQTWQJUALAIU-IBGZPJMESA-N 345.446 4.138 0 50 EIAA O=C(O)Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1 2325821358 IOPNNRXWZGDZAB-UHFFFAOYSA-N 346.308 4.185 0 50 EIAA O=C(O)c1cc(-c2ccccc2OC[C@@H]2CCOC2)cc2cccnc12 2325822943 XRCPOLTVIASZJK-CQSZACIVSA-N 349.386 4.015 0 50 EIAA COc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(OC)cc1Cl 294364 AJALOVWJXGIFRK-OLZOCXBDSA-N 331.799 4.099 0 50 EIAA CCOC(=O)c1c(C(C)(C)C)oc2cc(Br)c(O)cc12 307915 SZRBQVQUIKVHQV-UHFFFAOYSA-N 341.201 4.375 0 50 EIAA biogenic O=C(Nc1ccc(N2CCCC2)c(Cl)c1)C(Cl)(Cl)Cl 316670 MTMWBLBLZIODRQ-UHFFFAOYSA-N 342.053 4.249 0 50 EIAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2)c1 364517 COUBYSPIHTUSDT-UHFFFAOYSA-N 340.423 4.322 0 50 EIAA C[C@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1 450583 OANRMXWORHWCBM-CYBMUJFWSA-N 332.241 4.200 0 50 EIAA Clc1ccc([C@H]2C[C@H](c3ccco3)n3ncnc3N2)c(Cl)c1 531704 VSTJKGRMCFCGAH-CHWSQXEVSA-N 335.194 4.324 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1Cl 586040 RNSVFIMGBWITCP-UHFFFAOYSA-N 343.766 4.097 0 50 EIAA O=C(NCc1ccco1)Nc1ccc(Br)cc1Cl 611537 OZYXNKJFWGBEAO-UHFFFAOYSA-N 329.581 4.017 0 50 EIAA Cc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br 1403905 DRUAJNVPQHEQNM-UHFFFAOYSA-N 346.106 4.079 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1 2481909 FWYSCQIJGIRKDH-UHFFFAOYSA-N 326.783 4.233 0 50 EIAA CCOC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 2846119 FTDORVDVHVJVAU-UHFFFAOYSA-N 334.828 4.326 0 50 EIAA COc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Cl 2978848 VFNQJSXXDHWYRD-UHFFFAOYSA-N 338.190 4.457 0 50 EIAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1 4843336 MXNHUBYTZBWODY-UHFFFAOYSA-N 349.434 4.106 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 5617771 MYPZYVWBNICUHX-UHFFFAOYSA-N 349.761 4.468 0 50 EIAA O=C(Nc1cccc(-c2noc(-c3ccccn3)n2)c1)c1cccs1 6698134 KOGIZENJUGAYHQ-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1Cl 7058493 KCFPKMJCALFHOE-SNVBAGLBSA-N 331.828 4.336 0 50 EIAA C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCCCC2)cc1 10449945 OGAFCYZWJALSLH-KRWDZBQOSA-N 334.463 4.264 0 50 EIAA Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccco2)cc1 12274332 CEFGPDHFGQCQJR-UHFFFAOYSA-N 344.374 4.088 0 50 EIAA CC(=O)c1ccc(N2CCN(C/C(C)=C/c3ccccc3)CC2)cc1 12342827 IWEWKDWHLGZPKM-FBMGVBCBSA-N 334.463 4.115 0 50 EIAA C[C@H]1CCc2nc(NC(=O)Nc3ccc4c(c3)CCC4)sc2C1 20572241 DIZPWJWVIJLAGB-NSHDSACASA-N 327.453 4.401 0 50 EIAA Cc1ccc(C)c(N2CCN(Cc3c(F)cccc3Cl)CC2)c1 23281856 QWRPFWKRILNLNA-UHFFFAOYSA-N 332.850 4.418 0 50 EIAA CC[C@@H](C)N(Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 55245011 GDXYWPDMZSRMDA-QGZVFWFLSA-N 348.450 4.465 0 50 EIAA COc1ccc2cc([C@H](C)C(=O)Nc3cnc4n3CCCC4)ccc2c1 67490343 JMROKMFEEYLBNB-AWEZNQCLSA-N 349.434 4.123 0 50 EIAA Cc1ccncc1C(=O)NCc1cccnc1Oc1c(C)cccc1C 71315621 RWARGYSIWIHEAD-UHFFFAOYSA-N 347.418 4.124 0 50 EIAA Cc1nc[nH]c1-c1nccn1-c1ccc(-c2nc3ccccc3[nH]2)cc1 71770954 OGBNHVIEAFSIAN-UHFFFAOYSA-N 340.390 4.114 0 50 EIAA Cc1cc(NCc2cc3cc(Cl)ccc3[nH]2)n2nc(C)c(C)c2n1 72410712 JUAQEZHAMBDNPA-UHFFFAOYSA-N 339.830 4.401 0 50 EIAA COc1ccc2c(c1C)CCC/C2=C\CC1(C)C(=O)CCCC1=O 97922831 NDCANGKWDRPSJD-NTCAYCPXSA-N 326.436 4.442 0 50 EIAA O=C(c1cnc(C(F)(F)F)nc1)N(c1ccccc1)C1CCCC1 156159867 SRCILVILWUSYLS-UHFFFAOYSA-N 335.329 4.085 0 50 EIAA FC(F)(F)c1ccccc1[C@@H](NCc1cccnc1)C(F)(F)F 183334763 KFSCDWXFLYGVBB-CYBMUJFWSA-N 334.263 4.494 0 50 EIAA O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C(F)F)cc1F 653611908 SJGUMBQDECKLIF-IRXDYDNUSA-N 349.352 4.413 0 50 EIAA O=C(N[C@@H]1CCC[C@H]2C[C@@H]21)c1cc(-c2cccnc2)nc2ccccc12 843717338 NVFVPTUZPRSOOW-GZRFBZBPSA-N 343.430 4.215 0 50 EIAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)ccn1 935124868 PQUCFNSAYOPGBX-LJQANCHMSA-N 346.434 4.066 0 50 EIAA CCCn1cc(-c2cc(Cl)cc(C)c2OC2CCNCC2)c(C)n1 1875330413 WXONUIIDROTUSM-UHFFFAOYSA-N 347.890 4.361 0 50 EIAA O=C(NCc1cccc2ncsc12)c1ccc([C@@H]2CCCO2)s1 2356154835 MBXOKZBYCAPOFN-ZDUSSCGKSA-N 344.461 4.139 0 50 EIAA CC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 83447 WKJMGIQWSDKLNA-KRWDZBQOSA-N 349.217 4.061 0 50 EIAA CCOC(=O)c1sc(=S)n(-c2cccc(C(F)(F)F)c2)c1N 88390 WQJIGGXTVAAIHW-UHFFFAOYSA-N 348.371 4.046 0 50 EIAA C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C[C@@H](C)O1 110856 AVGKSJIJRPKZAM-HZPDHXFCSA-N 346.430 4.151 0 50 EIAA CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 146489 MUZKVPKLFHJSGI-UHFFFAOYSA-N 332.831 4.204 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 373741 XHPGFTXTWZKGGH-UHFFFAOYSA-N 338.363 4.042 0 50 EIAA O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 397674 TUHPMTANLYSLFD-UHFFFAOYSA-N 336.627 4.448 0 50 EIAA O=C(CSc1ccccc1)Nc1cc(Cl)c(O)c(Cl)c1 621098 HCXFEAUWBOJGNG-UHFFFAOYSA-N 328.220 4.430 0 50 EIAA Cn1cnnc1-c1cccc(NC(=O)Nc2cccc3ccccc23)c1 1431428 KTADGSPIBWKIFC-UHFFFAOYSA-N 343.390 4.279 0 50 EIAA CCc1ccc(OCCNC(=O)c2ccccc2C(F)(F)F)cc1 2862911 IFRYKCWQGFRQPW-UHFFFAOYSA-N 337.341 4.077 0 50 EIAA CC[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(C)cc2)C1 6119470 QBNAEWMEEBSABJ-CYBMUJFWSA-N 328.481 4.084 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccccc1F 6730567 JTUBPKUBNVOAOT-UHFFFAOYSA-N 341.386 4.096 0 50 EIAA Cc1cccc2[nH]c(=S)n(-c3ccc(Br)cc3)c(=O)c12 8729944 QVBRQFSEJIYRJQ-UHFFFAOYSA-N 347.237 4.119 0 50 EIAA S=C1NC2=C(CCc3ccccc32)[C@H](c2ccccc2Cl)N1 9356757 MUCVCJCVUYUFGV-KRWDZBQOSA-N 326.852 4.216 0 50 EIAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C(C)(C)C)on1 12380769 KOQYUCISYQXPHW-SECBINFHSA-N 340.782 4.171 0 50 EIAA COc1cccc(CC[C@H]2CCCN(C(=O)c3ccoc3C)C2)c1 15076251 DJIKNBONJIQDPP-QGZVFWFLSA-N 327.424 4.082 0 50 EIAA Cc1cccc(N2CCC(N[C@H](C)CCCC(C)(C)O)CC2)c1C 20560916 MKNMLRUTIALSAR-QGZVFWFLSA-N 332.532 4.192 0 50 EIAA COC(=O)c1cc(-c2ccc(C)cc2)nc2c(-c3ccccc3)cnn12 20615661 HPVPCHXAFCIECO-UHFFFAOYSA-N 343.386 4.158 0 50 EIAA O=C(CCc1nc(C2CC2)nn1-c1ccccc1F)c1ccccc1 65371179 AEHFBNKDOUIQCC-UHFFFAOYSA-N 335.382 4.099 0 50 EIAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC[C@@H](CO)C1 71707918 XBHADYVJZHULPH-MRXNPFEDSA-N 336.435 4.008 0 50 EIAA COCc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)o1 71779866 BGDJJSIFFWQUSK-MRXNPFEDSA-N 345.414 4.050 0 50 EIAA COc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)c1 77519547 QZYGWDBVINGYQW-SFHVURJKSA-N 347.817 4.394 0 50 EIAA Cc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)on2)no1 82126428 BMWUDIXQOXSEEV-QGZVFWFLSA-N 337.379 4.005 0 50 EIAA CCCn1nc(C)c(C(=O)N[C@H](C)c2oc3ccccc3c2C)c1C 164157799 KOJLICAMLWFTQE-CQSZACIVSA-N 339.439 4.456 0 50 EIAA Cc1ccc(NCC2=Cc3ccccc3OC2)cc1O[C@H]1CCOC1 170653027 DVWFJKZIOZWTCI-IBGZPJMESA-N 337.419 4.051 0 50 EIAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1cc2ccccc2o1 220743624 GBQCNGMMYGDYSK-UHFFFAOYSA-N 349.365 4.030 0 50 EIAA Oc1nc(-c2ccc3cc[nH]c3n2)nc2cc(Cl)c(Cl)cc12 242047849 VQPQGANAMDVQHZ-UHFFFAOYSA-N 331.162 4.186 0 50 EIAA O=C1CCCc2cc(NC(=O)NCc3ccc(C4CC4)cc3)ccc2N1 252492926 MXRUAZMZQLOQFO-UHFFFAOYSA-N 349.434 4.161 0 50 EIAA O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccccn1 253407324 JSVYGAWZNGSGBN-INIZCTEOSA-N 325.799 4.155 0 50 EIAA CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C(C)=O)s1)CCC2 331513851 JIYCUJHSTBTSOV-GFCCVEGCSA-N 348.493 4.119 0 50 EIAA CC(C)c1ccc(NC(=O)N2CCc3[nH]nc(C4CC4)c3CC2)cc1 1857672222 CRPSUFSBHAXBOI-UHFFFAOYSA-N 338.455 4.043 0 50 EIAA Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc(C)n1 2325782232 HAEXNIZZTCUKRB-UHFFFAOYSA-N 344.842 4.035 0 50 EIAA CC(C)COC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 137285 PLRYWHYPOXAZOA-UHFFFAOYSA-N 325.408 4.071 0 50 EIAA Cc1ccc([C@H]2CC(=O)c3cnc(NCc4ccccc4)nc3C2)cc1 193870 POMFVZAPCIARRL-GOSISDBHSA-N 343.430 4.310 0 50 EIAA Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccs2)S3)cc1 304282 RIPMYYYWCRPHGR-CYBMUJFWSA-N 327.434 4.192 0 50 EIAA CCN(CC)C(=O)c1ccccc1C(=O)Oc1ccc(Cl)cc1 315058 SAGIYDFSFWNOKK-UHFFFAOYSA-N 331.799 4.041 0 50 EIAA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1 621144 CYBJEUVAOGHPAU-UHFFFAOYSA-N 331.586 4.059 0 50 EIAA COc1ccccc1Cc1noc(COc2ccc3ccccc3c2)n1 991598 YVTMHPZZWNMSNA-UHFFFAOYSA-N 346.386 4.401 0 50 EIAA O=C(O)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1 4530487 DRBJRRIAZMJBOC-UHFFFAOYSA-N 331.415 4.043 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 12404267 YHKUWZDOZNPDMN-SFHVURJKSA-N 340.423 4.140 0 50 EIAA C[C@H](c1ccccc1)c1cc(C(=O)N(C)Cc2ccsc2)on1 15069193 UFEVAVMTVMUXHG-CYBMUJFWSA-N 326.421 4.160 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)N[C@H](C)[C@@H]3CCCO3)sc2c1 16603882 CISRYJMKUALXNK-MFKMUULPSA-N 337.872 4.414 0 50 EIAA FC(F)(F)c1ccccc1CN1CCN(Cc2ccccc2)CC1 19537398 KQEROGTWFRPRET-UHFFFAOYSA-N 334.385 4.023 0 50 EIAA Cc1ccc2oc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)c(C)c2c1 19852281 HJIDFIGOTQJNRG-CYBMUJFWSA-N 333.391 4.417 0 50 EIAA COc1cccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c1 65362498 KUSDMWAVPWBCPN-UHFFFAOYSA-N 349.394 4.181 0 50 EIAA Cc1cc(-c2ccc([C@H](C)N3CCCCC3)cc2)cnc1-n1cnnc1 65503458 HTYRXLSCBSJEIM-KRWDZBQOSA-N 347.466 4.185 0 50 EIAA COCCC[C@@H]1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 91951472 JJSLLOZCGSSFBL-ZDUSSCGKSA-N 327.827 4.066 0 50 EIAA C[C@H](c1cccc(-c2ccc(C(=O)N(C)C)s2)c1)N1CCCC1 96147994 UPQKAQZLZJGEHF-CQSZACIVSA-N 328.481 4.274 0 50 EIAA Cc1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2CN(C)C)cc1 114232377 RTCXANQDRULGAS-OAHLLOKOSA-N 336.435 4.294 0 50 EIAA Cc1cc(N(C)C)cc(C)c1NC(=O)[C@H](C)OC1CCCCCC1 129544281 AONLYNOVPMPZJQ-INIZCTEOSA-N 332.488 4.436 0 50 EIAA C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CCc2c(Cl)cccc21 171779303 IWUYAFGXUGFGGG-KZULUSFZSA-N 344.842 4.436 0 50 EIAA Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccnn1C1CCCC1 248059893 VJYAOMNKUFIMRI-UHFFFAOYSA-N 340.402 4.108 0 50 EIAA FC(F)(F)c1cc(Cl)c2nc(CNCc3ccccc3)cn2c1 261494845 LSWASQXXTSRBJK-UHFFFAOYSA-N 339.748 4.296 0 50 EIAA Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)s2)o1 683322072 GCARFZNPPKECQJ-AWEZNQCLSA-N 341.436 4.407 0 50 EIAA Cc1ccc2c(C(=O)N(Cc3ccsc3)C3CCCC3)cnn2c1 1772708247 ALQDRQXYPVMGLQ-UHFFFAOYSA-N 339.464 4.289 0 50 EIAA Cc1cc(CNC(=O)NC[C@@H]2CCCc3ccccc32)c(C)s1 2325737966 BNYZFPQRDKCBGN-INIZCTEOSA-N 328.481 4.284 0 50 EIAA Oc1ccc(-c2nc(C3(c4ccccc4)CCNCC3)cs2)cc1 2356169200 WOIDDQHBRGLQLO-UHFFFAOYSA-N 336.460 4.185 0 50 EIAA Cc1cc(C)c(NC(=O)COc2cccc(Br)c2)c(C)c1 121225 HYOLRKMKMFECNP-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 461507 GMYORGALUUEILQ-UHFFFAOYSA-N 338.285 4.121 0 50 EIAA Cc1cc(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1Cl 2764733 JSGSLXHBQPXTQO-ZIAGYGMSSA-N 329.827 4.394 0 50 EIAA CCCc1nnc(CSc2nnc(-c3ccc(Cl)cc3)o2)o1 4943081 NYVLAJQDSMGHHO-UHFFFAOYSA-N 336.804 4.018 0 50 EIAA Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)N1CCOCC1 5032281 XBYALJXJNHEAOZ-UHFFFAOYSA-N 340.206 4.034 0 50 EIAA CCCc1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1 5206510 XLPFVKXJCRUBOX-UHFFFAOYSA-N 343.434 4.356 0 50 EIAA CCc1ccc([C@@](O)(CNCc2ccccc2)c2ccccc2)cc1 19205309 CZLGEIAMXALFAS-HSZRJFAPSA-N 331.459 4.275 0 50 EIAA Cc1ccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 19361458 VLOLDCVHFBJWEG-UHFFFAOYSA-N 348.412 4.332 0 50 EIAA Fc1ccccc1N1CCN(Cc2c(Cl)cccc2Cl)CC1 55292345 LALYSHNFSQNFSM-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA CCc1ccccc1C(=O)NCc1cccnc1Oc1ccc(C)nc1 67948008 YFUIFRVFAGSHRZ-UHFFFAOYSA-N 347.418 4.070 0 50 EIAA CN(Cc1cccc2ncccc12)C(=O)CCc1ccc(F)c(F)c1 77357338 PTRMNVLAZFMCCT-UHFFFAOYSA-N 340.373 4.104 0 50 EIAA CC(C)(C)n1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1 82157516 OHOMKQIDCACWBE-UHFFFAOYSA-N 340.467 4.065 0 50 EIAA CSc1cccc(CN(C(=O)CCc2ccncc2)C(C)C)c1 97815535 JZTLRWJEUWLHAD-UHFFFAOYSA-N 328.481 4.173 0 50 EIAA Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(CSC(F)F)o1)N2 153708920 IYZVTFKPJROCAE-AWEZNQCLSA-N 338.379 4.240 0 50 EIAA CC(C)c1cccc2c1CCN([C@@H](C)c1nc(-c3cccnc3)no1)C2 191892559 FCJSBTNZEZMQFN-HNNXBMFYSA-N 348.450 4.374 0 50 EIAA Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229535733 JXASDWYVOVTCQS-JDSLSITLSA-N 340.389 4.353 0 50 EIAA C(=C/c1ccccc1)\CN(Cc1cc(C2CC2)on1)C[C@H]1CCCO1 252494460 NWHXFTFMAKFQGJ-BTZGUFSASA-N 338.451 4.246 0 50 EIAA O=C(C[C@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)nc1 253413471 UVZKVRWSYKNEDF-MRXNPFEDSA-N 325.799 4.155 0 50 EIAA CC(C)(C)c1cn2nc(N3CC(C)(C)[C@@H]3c3cccnc3)sc2n1 253432350 JTMKOJCUOHSQBN-AWEZNQCLSA-N 341.484 4.071 0 50 EIAA CCCc1ncncc1C(=O)N1CCC[C@@H](c2ccc(Cl)cc2)C1 299797204 PEKNCBAIAYTPON-OAHLLOKOSA-N 343.858 4.102 0 50 EIAA COc1ccc2c(c1)N(C(=O)c1cc3c(s1)CCCC3)C[C@@H](C)O2 460506771 HXXISRWMJQQNTH-GFCCVEGCSA-N 343.448 4.063 0 50 EIAA FC(F)(F)c1nc(CNCc2cccc3cc[nH]c23)c2n1CCCC2 865804200 RQPPROJTWWVMIB-UHFFFAOYSA-N 348.372 4.009 0 50 EIAA CC(C)Oc1ccccc1C=Cc1ncc(C(=O)O)c(C(C)C)n1 1857530741 KJUAIELMFLIWPM-UHFFFAOYSA-N 326.396 4.256 0 50 EIAA C[C@@H](CNC(=O)c1cc(Cl)nc(Cl)c1)c1cccc(F)c1 1875365007 FUOAOPGHBNMLTM-VIFPVBQESA-N 327.186 4.061 0 50 EIAA Cc1cnc(C)c(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1 2325853890 GEHIMOMVNUHFGN-UHFFFAOYSA-N 345.251 4.114 0 50 EIAA O=C(O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 70041 HOSRWXXLRWQPPH-GOSISDBHSA-N 341.451 4.346 0 50 EIAA O=C(Nc1ccc(Cl)cc1F)c1ccccc1Br 461323 IVGRGRFVGJGPCX-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA CCc1nnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)s1 475266 ZLHKURREHJKKPY-GQCTYLIASA-N 328.224 4.059 0 50 EIAA OC(c1ccccc1)(c1ccccc1)c1nccn1Cc1ccccc1 3876583 LIYHGMAFIBBBRK-UHFFFAOYSA-N 340.426 4.216 0 50 EIAA COc1ccc(/C=C/C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 3896894 OBIXSTSCWHUDQN-QPJJXVBHSA-N 339.479 4.431 0 50 EIAA biogenic Clc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccccc1 10474488 GNJQWXAOXNEYHM-QGZVFWFLSA-N 331.843 4.188 0 50 EIAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccncc2)C1 12432877 NUIGUSQLVUEDRL-MRXNPFEDSA-N 348.368 4.195 0 50 EIAA CCc1c(C)sc(NC(=O)c2csc(C)c2)c1C(=O)NC1CC1 13329327 CBSMELOHAKHYLF-UHFFFAOYSA-N 348.493 4.133 0 50 EIAA COC(=O)c1ccc(NC(=O)NC2CCC(C(C)(C)C)CC2)cc1 13746222 SHBDSHAEMILNJJ-UHFFFAOYSA-N 332.444 4.200 0 50 EIAA Cc1ccc([C@@H](NC(=O)c2ccccc2F)c2cccnc2)cc1C 15839783 MDQBVIVVSLASDZ-HXUWFJFHSA-N 334.394 4.357 0 50 EIAA S=C(NCc1ccco1)Nc1ccc(Br)c(Cl)c1 17072037 LHSIZQNZSCTZTB-UHFFFAOYSA-N 345.649 4.182 0 50 EIAA CCCCn1c(=N)n(C[C@@H](O)c2ccc(Cl)cc2)c2ccccc21 19832389 NVBRUDUQVFCLRC-GOSISDBHSA-N 343.858 4.109 0 50 EIAA O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc(Cl)cc1 35476488 YSWRSIBTOJZCSQ-OAHLLOKOSA-N 344.798 4.438 0 50 EIAA Clc1cc(Cl)cc(-c2nnc3sc(-c4cccnc4)nn23)c1 36359898 QFZQSROXPURTGA-UHFFFAOYSA-N 348.218 4.222 0 50 EIAA CC[C@@H](C)n1ncc(C(=O)Nc2cccc(-n3ccnc3)c2)c1C1CC1 120624520 XQVSXEDJMIXIQZ-CQSZACIVSA-N 349.438 4.170 0 50 EIAA COCCSc1ccc([C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1 170621194 XILKBZXKNUDKCV-MRXNPFEDSA-N 343.492 4.153 0 50 EIAA Cc1csc([C@H](C)NC(=O)Nc2cccc3c2OC(C)(C)C3)n1 252484326 FUIXHZDCTQJHMX-NSHDSACASA-N 331.441 4.048 0 50 EIAA COc1ccc(Cc2nc(-c3oc(C)nc3C)cs2)cc1OC 268741546 QISPAJXWTYXICH-UHFFFAOYSA-N 330.409 4.023 0 50 EIAA Cc1oc2ccc(NC(=O)N3CC[C@@]4(CCCOC4)C3)cc2c1C 375486850 ONASKUWGECVZLH-IBGZPJMESA-N 328.412 4.084 0 50 EIAA COc1cc(C(=O)O)cc(Cl)c1OCc1ccc(F)cc1Cl 386559060 NMEUSBCAAIKZBK-UHFFFAOYSA-N 345.153 4.418 0 50 EIAA C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)Cc1nc(C(=O)O)cs1 652429383 NMIRGJPJIFWECU-QWRGUYRKSA-N 338.860 4.119 0 50 EIAA Cc1ccc(-c2cc(C(=O)NC[C@H]3C[C@@H]3c3ccccc3)no2)cc1 1775977075 VZHBOXYILFWSJL-QZTJIDSGSA-N 332.403 4.184 0 50 EIAA Cc1c(C(=O)OCc2ncc(-c3ccccc3)s2)ccc2cncn12 2325735761 ODHBVHWQFFECID-UHFFFAOYSA-N 349.415 4.123 0 50 EIAA CCc1ccc([C@H]2CCCN2C(=O)Cc2cncc3ccccc23)o1 2325760612 WFWBSUXAWNUQIX-LJQANCHMSA-N 334.419 4.296 0 50 EIAA Cc1cc(N[C@@H](C)c2ccc(-n3cncn3)cc2)c2ccc(O)cc2n1 2325872184 LKVCYJSZCLMSHQ-AWEZNQCLSA-N 345.406 4.003 0 50 EIAA O=C(COc1ccccc1Br)Nc1ccc(Cl)cc1 37980 YLDDALVLUGKUJD-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA Clc1ccc(OCc2ccccc2Cl)c(CNc2ncn[nH]2)c1 56338 RPKJVTZNQLDPBS-UHFFFAOYSA-N 349.221 4.303 0 50 EIAA CC1=NN(C(=O)c2ccccc2Cl)[C@](O)(c2ccc(Cl)cc2)C1 77562 UKTLLYCWSFLLTQ-QGZVFWFLSA-N 349.217 4.061 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1 192181 WLHMYCSUBNGRET-FMIVXFBMSA-N 336.416 4.471 0 50 EIAA CN(C)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 284870 AREOYTABIWTLEZ-UHFFFAOYSA-N 330.431 4.272 0 50 EIAA CC(C)Oc1ccc(C(=O)Nc2cccc(Br)c2)cc1 308230 AKBBDBFPVIQSDG-UHFFFAOYSA-N 334.213 4.489 0 50 EIAA CCSc1nnc(CNc2ccc(OC)cc2)n1-c1ccccc1 2740408 YBQFNGFUNATMKB-UHFFFAOYSA-N 340.452 4.000 0 50 EIAA CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2 4627712 TVRNGOZZANVJFV-UHFFFAOYSA-N 325.430 4.152 0 50 EIAA CCCCS(=O)(=O)Nc1ccc2c(c1)ncn2C1CCCCC1 6467624 KLEMSSSVSLEGOD-UHFFFAOYSA-N 335.473 4.083 0 50 EIAA CCCc1nc2cccnc2n1C1CCN(Cc2ccsc2)CC1 12165878 ORCFDVYLOODAJF-UHFFFAOYSA-N 340.496 4.282 0 50 EIAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2cccc(O)c2)c1C 12596955 FPXZRTYLVRLCBT-FQEVSTJZSA-N 347.462 4.362 0 50 EIAA COc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1OC 13820324 VGNFEIWQVRCNAJ-AWEZNQCLSA-N 344.480 4.012 0 50 EIAA COc1ccccc1CC(=O)Nc1ccc(Oc2cccnc2)cc1 19742726 RKNVQPZWAYCEFU-UHFFFAOYSA-N 334.375 4.064 0 50 EIAA CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(C3CC3)nc21 20603973 SMZKSYCCEFKRMP-ZETCQYMHSA-N 325.384 4.240 0 50 EIAA CC[C@@H](C)N(Cc1sccc1C)C(=O)c1ccc2cccnc2n1 55060714 FINIYNWPTJOEGU-CQSZACIVSA-N 339.464 4.441 0 50 EIAA C[C@H](CN1CCC(n2cc(C3CCCC3)nn2)CC1)c1ccccc1 55403556 GYFUQBVSSDYVQI-QGZVFWFLSA-N 338.499 4.376 0 50 EIAA COc1cccc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)c1F 65468466 CAVOWVLAXRYQKR-LZQZEXGQSA-N 349.446 4.139 0 50 EIAA Fc1ccc(Oc2ncnc3ccsc23)cc1Br 137061376 SZRZKETXPKBZRH-UHFFFAOYSA-N 325.162 4.385 0 50 EIAA Cc1ccnc(Oc2cc(NCc3nnc(C4CC4)o3)ccc2C)c1 154012429 DNPQSSBXMMCWSZ-UHFFFAOYSA-N 336.395 4.363 0 50 EIAA Cc1ccccc1Oc1ccccc1CNC(=O)c1ccc(F)nc1 170626736 ZJNKEHXGSHGARL-UHFFFAOYSA-N 336.366 4.251 0 50 EIAA Cc1cc2c(cc1NC(=O)N1CCC[C@H]1c1cccs1)OCO2 180084528 ORVMMDCNTROPHE-ZDUSSCGKSA-N 330.409 4.154 0 50 EIAA Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1 229713933 HAXVMUZEKPPLPJ-MSOLQXFVSA-N 340.492 4.080 0 50 EIAA CC(C)n1cnc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c1 239359629 AEYHFBVEKKLRBG-OAHLLOKOSA-N 329.419 4.013 0 50 EIAA COCCN(Cc1ccccc1C)Cc1cncn1C1CCCCC1 244795125 QZYBJDXAUISOHL-UHFFFAOYSA-N 341.499 4.345 0 50 EIAA Cc1nscc1C(=O)Nc1cc(F)c(Br)cc1Cl 252484119 FPAQOCLCSLVKCL-UHFFFAOYSA-N 349.612 4.259 0 50 EIAA C[C@H](O)c1cccc(-c2cccc(C(=O)N3CCCCCCC3)c2)n1 534651055 IRVRVZNNHWBBQV-INIZCTEOSA-N 338.451 4.208 0 50 EIAA COc1ccc(Oc2ccc(C(C)=O)cn2)c(C(=O)c2ccccc2)c1 953040661 KRDRTZXRZVJWIG-UHFFFAOYSA-N 347.370 4.316 0 50 EIAA COc1ccc(F)c(F)c1C(=O)Nc1onc(-c2ccccc2)c1C 1506421438 GKUOFPKJHCPEDY-UHFFFAOYSA-N 344.317 4.189 0 50 EIAA NC12CCC(C(=O)N3CC[C@@H](c4cccc5ccccc45)C3)(CC1)CC2 2325798962 LKOTXQWOULPJLP-WDGBRCNXSA-N 348.490 4.207 0 50 EIAA COc1cccc([C@H](C)Nc2cccc(-c3n[nH]c4c3COCC4)c2)c1 2325803717 XKGRDDQHJLBNEK-AWEZNQCLSA-N 349.434 4.331 0 50 EIAA Cc1cc2ncn(C[C@@H](O)COc3ccc4ccccc4c3)c2cc1C 243060 QZNPTKOZMFTIME-LJQANCHMSA-N 346.430 4.246 0 50 EIAA Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Br)c1C 466664 PLEJRJJRWGEWBP-CYBMUJFWSA-N 348.240 4.472 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1C 569600 LIWGNRYJLFOYGJ-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA Clc1ccc(CNc2n[nH]c(NCc3ccc(Cl)cc3)n2)cc1 1070060 SLWNKMDDAWXCAP-UHFFFAOYSA-N 348.237 4.336 0 50 EIAA CCCCc1cc(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 1902756 GWTDTAKAGUOIEO-UHFFFAOYSA-N 336.387 4.397 0 50 EIAA biogenic CC(=O)Nc1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1 2708157 WSTHONGBVOXMJF-LLVKDONJSA-N 328.437 4.084 0 50 EIAA COc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1OC(C)=O 3905827 VFMLZHPLLSDXKM-RMKNXTFCSA-N 335.359 4.045 0 50 EIAA Cc1cccc(-c2noc(CN(C(=O)C3CCCCC3)C(C)C)n2)c1 4384539 RRFFFYRPMZJDAM-UHFFFAOYSA-N 341.455 4.362 0 50 EIAA Nc1cc(Br)cc2c1-c1ccc(Br)cc1C2 4823908 ZCRGFCZFXXGGDT-UHFFFAOYSA-N 339.030 4.365 0 50 EIAA COC[C@H](C)NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 6701267 JDBDUSAACFOAJH-HNNXBMFYSA-N 329.465 4.052 0 50 EIAA Fc1ccc(CNC(=S)NCc2ccc(Cl)c(Cl)c2)cc1 17071629 ZVKOSNTWDDPOKO-UHFFFAOYSA-N 343.254 4.297 0 50 EIAA Fc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1F 39769819 PAVUUPCGSDKDRN-UXHICEINSA-N 334.454 4.194 0 50 EIAA CC(C)Cn1ncc2c1NC(=O)C[C@@H]2c1ccccc1-c1ccco1 65371699 ZOCRBIALTQOARW-MRXNPFEDSA-N 335.407 4.273 0 50 EIAA c1csc([C@@H]2CCCCN2Cc2c[nH]c(CC3CCCC3)n2)n1 97594896 ZWHGOJNUSKXGDD-INIZCTEOSA-N 330.501 4.326 0 50 EIAA C[C@H](C(=O)Nc1nc2c(ccc3ccccc32)s1)C1CCOCC1 164809637 JCEMHLOEWVVHAE-LBPRGKRZSA-N 340.448 4.451 0 50 EIAA O=C(Nc1cccc2cnccc12)N(C[C@H]1CCCO1)C1CCCC1 175165227 DZRISKVWVCSEMU-QGZVFWFLSA-N 339.439 4.190 0 50 EIAA CCCOc1ccccc1NC(=O)N1CCO[C@H](c2ccsc2)C1 177181182 VGTZRKZABZJBQB-KRWDZBQOSA-N 346.452 4.142 0 50 EIAA c1cncc([C@@H]2CCCCN2Cc2ccccc2Cn2cccn2)c1 215405980 RNDQYSUMVKFVLM-NRFANRHFSA-N 332.451 4.054 0 50 EIAA CCN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@@H](c1ccc(F)cc1)c1cccnc1 252511672 JIFBHEAKSHKMJH-NMLBUPMWSA-N 338.426 4.205 0 50 EIAA CCCc1sc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1CC 252514063 AZZJZZHWTDAYGW-IAOVAPTHSA-N 335.513 4.149 0 50 EIAA C[C@@H](N[C@H](C)c1ccncc1F)c1ccc2c(c1)COC(C)(C)O2 253416000 IZUOULLTUYRLRB-CHWSQXEVSA-N 330.403 4.278 0 50 EIAA C[C@H](N[C@H](C)c1ccc(C(F)F)nc1)c1ccc(-n2ccnn2)cc1 657933276 QILVBNFPFCEJQT-QWHCGFSZSA-N 343.381 4.012 0 50 EIAA CC1CN(C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)C1 672745699 CKXSVGDNCINXHZ-UHFFFAOYSA-N 332.835 4.133 0 50 EIAA COc1cc(C)nc(N[C@@H](C)c2ccc(Oc3cccnc3)cc2)n1 673488820 FGRHSEJWZVEBRN-AWEZNQCLSA-N 336.395 4.154 0 50 EIAA Cc1ccc(F)c(CNC(=O)Cc2scnc2-c2cccs2)c1 1875324234 NHRJVKYPFGCQHV-UHFFFAOYSA-N 346.452 4.178 0 50 EIAA c1cnc2[nH]c(=NCCn3c4ccccc4c4ccccc43)ccc2c1 1875336919 JUGYCVHFOLZZKP-UHFFFAOYSA-N 338.414 4.272 0 50 EIAA O[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)Cc1ccccc1 2325719597 COTYJWOMKDBUMD-AWEZNQCLSA-N 346.352 4.269 0 50 EIAA CC1CCC(N(C)C(=O)c2ccnc(N3CCCC[C@H]3C)c2)CC1 2325729457 CQLBCOWSUKFJIF-UPTPFMHGSA-N 329.488 4.111 0 50 EIAA C[C@@H](CN[C@@H](Cn1ccnc1)c1ccc(F)cc1)c1cccc(F)c1 2325745008 LQVNILLLQDQROK-YWZLYKJASA-N 341.405 4.296 0 50 EIAA C[C@]1(c2nc([C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)CCC(=O)N1 2325792770 LFYLQYVLMQMNGP-IMSIIYSGSA-N 332.391 4.104 0 50 EIAA CCC1CCC([C@](C)(O)CNCc2ccc3ncccc3c2)CC1 2325842245 SCIWDWOMRJFGQQ-VFIGECHUSA-N 326.484 4.292 0 50 EIAA C[C@H]1Cc2cc(CN3CC(C)(C)O[C@@]4(C[C@H]5CC[C@H]4C5)C3)ccc2O1 2325871594 RBJHIPDAACJKCD-ZLFOXAAKSA-N 341.495 4.180 0 50 EIAA COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 185349 VESBIKBFVPZGFZ-UHFFFAOYSA-N 331.371 4.393 0 50 EIAA O=C1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2585702 PGHGDSRIILPGMC-UHFFFAOYSA-N 335.403 4.037 0 50 EIAA in-vitro Cc1cc2oc(=O)c3c(c2cc1OC(=O)C1CCCCC1)CCCC3 6686609 NBFDDQCEZSKADJ-UHFFFAOYSA-N 340.419 4.466 0 50 EIAA COc1cccc(SCC(=O)c2ccc(Br)cc2)c1 34552624 DTRVNVMSPNNOMV-UHFFFAOYSA-N 337.238 4.433 0 50 EIAA CCCc1cc(C(=O)N2CCC(Sc3ccccc3C)CC2)no1 77489476 JYBDKRJRANUHFM-UHFFFAOYSA-N 344.480 4.332 0 50 EIAA O=C(c1cccc([C@H]2CCCNC2)c1)N1CCC[C@@H]1c1ccccc1 97758053 ZRUYRBJAQNAVCP-LEWJYISDSA-N 334.463 4.131 0 50 EIAA Cc1nc(COc2ccccc2OCC(F)(F)F)nc2ccccc12 193610210 SFECERCRKGSSGR-UHFFFAOYSA-N 348.324 4.458 0 50 EIAA CCN(Cc1cccnc1)C(=O)[C@@]1(c2ccccc2)CC12CCCC2 244647001 GTGCPNXHTZPTCO-QFIPXVFZSA-N 334.463 4.332 0 50 EIAA Cc1ccc2sc(C(=O)N3CCCC[C@H]3c3ncc[nH]3)cc2c1 290412673 MQPLEPHHSMSOQX-AWEZNQCLSA-N 325.437 4.300 0 50 EIAA O=C(c1snc(O)c1Cl)N1CCC[C@@H]1CC1CCCCC1 328751229 CIRBTMUXVCOJDB-LLVKDONJSA-N 328.865 4.077 0 50 EIAA O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CCCc2ccccc21 337456165 KABLSRSOFQJNDS-HXUWFJFHSA-N 333.435 4.087 0 50 EIAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cc(C)cc(CN)c3)C2)cc1 424428635 UOTACQSPFIFYEU-QFBILLFUSA-N 337.467 4.172 0 50 EIAA CCCn1c(C)cc(-c2csc(NC(=O)[C@H]3CCCCO3)n2)c1C 435066911 XAKBCXJNPWDTOK-MRXNPFEDSA-N 347.484 4.146 0 50 EIAA CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1cccnc1 821003987 KDWPZCCBGOCORW-KRWDZBQOSA-N 335.407 4.254 0 50 EIAA Cc1nocc1NC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 931812631 HCMNLJJSAWHVPI-UHFFFAOYSA-N 348.472 4.149 0 50 EIAA CC[C@@H](Nc1nc(O)c2cnn(C(C)(C)C)c2n1)c1csc(C)c1 1775988659 WZNKPBXUMXWHNX-CYBMUJFWSA-N 345.472 4.220 0 50 EIAA Cc1nccn1CC1(Cn2ccnc2-c2ccc3cccnc3c2)CC1 1857689429 PRLNRNIRBRUNBW-UHFFFAOYSA-N 343.434 4.084 0 50 EIAA Cc1ccc2cc(COC(=O)/C=C/c3ccncc3)c(Cl)nc2c1 2325717628 MQUWALOUXNFWKM-HWKANZROSA-N 338.794 4.348 0 50 EIAA O=C(NCc1cccc2ncsc12)c1ccc([C@H]2CCCO2)s1 2356154834 MBXOKZBYCAPOFN-CYBMUJFWSA-N 344.461 4.139 0 50 EIAA O=C(Nc1ccc(Cl)cc1C(=O)N1CCCCCC1)c1ccco1 384375 XNEGPUNEJXOJGH-UHFFFAOYSA-N 346.814 4.202 0 50 EIAA O=C(COc1ccc2ccccc2c1)NCc1ccc(Cl)cc1 442951 OZHLBBGOERRRHY-UHFFFAOYSA-N 325.795 4.188 0 50 EIAA CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1 446442 IEBUNBXZRJCYDH-SFHVURJKSA-N 345.398 4.098 0 50 EIAA O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccccc1)CCCC3 507435 SHYFDWYGFKOVKX-UHFFFAOYSA-N 328.462 4.048 0 50 EIAA in-vitro O=C(OCc1ccccc1F)c1cccc(NC(=O)c2ccco2)c1 527702 QDBPCYVXYAJBPS-UHFFFAOYSA-N 339.322 4.028 0 50 EIAA COc1cc2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2cc1OC 545980 DISSQPLQNUOTBE-UHFFFAOYSA-N 339.391 4.170 0 50 EIAA S=C(NCc1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 1425407 FITXJXUKNVMLNP-UHFFFAOYSA-N 349.503 4.211 0 50 EIAA COc1ccc(CC[C@@H](C)NCCCc2ccccc2)c(OC)c1 2132862 UKKOHDVNWVUEIG-QGZVFWFLSA-N 327.468 4.247 0 50 EIAA biogenic Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1Cl 4655871 NBTJMKQYBNMGRV-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA Cc1cc(Cl)ccc1NC(=S)NC1CC(C)(C)NC(C)(C)C1 4682540 DUEAPKDKBMBUID-UHFFFAOYSA-N 339.936 4.244 0 50 EIAA CCCCSc1ccc(NC(=O)CSc2nccn2C)cc1 4810556 ZAJMGRBLPSTTJK-UHFFFAOYSA-N 335.498 4.043 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)c(C)c1 6730171 PUYJEXASKPBGLP-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA CCCCC/C=C\C[C@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 8860452 VNYSSYRCGWBHLG-CTOJTRLNSA-N 336.472 4.158 0 50 EIAA endogenous,in-man CC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 13330137 UYMUDKSCWMRETK-HNNXBMFYSA-N 345.798 4.048 0 50 EIAA Cc1ccc2[nH]cc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2c1 13961370 MQPSSHFMSBYDET-UHFFFAOYSA-N 346.352 4.468 0 50 EIAA Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 19957424 QQEZGFCQZXAUBP-QFIPXVFZSA-N 342.446 4.347 0 50 EIAA CCCCn1nc(C)c2[nH]c(-c3cc(Cl)cc(OC)c3OC)nc21 20598416 UQFKAYJYKXJCKU-UHFFFAOYSA-N 348.834 4.206 0 50 EIAA c1cc(-c2nnc(-c3ccco3)o2)cc(-c2nnc(-c3ccco3)o2)c1 22146013 HTFUAKJJLADLTB-UHFFFAOYSA-N 346.302 4.307 0 50 EIAA CCOc1cc(CN2CCC3(C=Cc4ccccc43)CC2)ccc1O 23279615 NUVFRHOXCZOHPI-UHFFFAOYSA-N 335.447 4.352 0 50 EIAA CC(C)c1csc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)n1 55182502 ZRZOPZUKDHLDBJ-INIZCTEOSA-N 333.476 4.482 0 50 EIAA CCn1cncc1CNC(=O)c1cc(-c2ccccc2Cl)oc1C 55393217 MIYBZHFXNGVHPF-UHFFFAOYSA-N 343.814 4.055 0 50 EIAA c1ccc(-c2ncn(CCN3CCc4ccccc43)c2C2CC2)cc1 65434005 ZUKRFBFQVSOZKI-UHFFFAOYSA-N 329.447 4.490 0 50 EIAA Cc1nc(CCn2ccnc2-c2ccnc3ccccc23)sc1C 71419370 ZRLVLUYOMSVZIF-UHFFFAOYSA-N 334.448 4.414 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c(O)c1 71738462 YRMLGOUIGSHBOO-KRWDZBQOSA-N 341.426 4.325 0 50 EIAA CC(C)(O)CCc1ccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1 72408844 AWXPYWRNZHOGLF-LJQANCHMSA-N 341.426 4.116 0 50 EIAA FC(F)C(F)(F)CCN1CCC[C@H](c2nccn2CC2CCC2)C1 95355099 WWLHRMSNFIDJHQ-AWEZNQCLSA-N 347.400 4.153 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1cc(C(C)C)nn1C 97288727 RGJDIWHDYVHSJN-QGZVFWFLSA-N 343.475 4.334 0 50 EIAA C[C@@H](c1ccc(C(=O)N2CCc3ccccc3C2)o1)N1CCCCC1 102539625 CFUFSLQOLJGFOH-INIZCTEOSA-N 338.451 4.025 0 50 EIAA CC(C)N(C)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 154323210 MHRDTIACVJBYSU-UHFFFAOYSA-N 325.437 4.081 0 50 EIAA CCCOc1ccc(Cl)cc1NCc1cc(-c2cnn(C)c2)no1 183994712 MWODDJLJCJXEQC-UHFFFAOYSA-N 346.818 4.129 0 50 EIAA Cc1cc(C(=O)Nc2nnc(SCc3cccs3)s2)co1 189179502 FKXMHJYIGJUGPL-UHFFFAOYSA-N 337.451 4.046 0 50 EIAA CCn1c([C@@H]2CCCN2C(=O)Cc2ccsc2)nc2ccccc21 195410152 IBPXBXQLCVKEJY-KRWDZBQOSA-N 339.464 4.024 0 50 EIAA C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 200322257 PTIRZNPEHFBDQI-MGPUTAFESA-N 325.408 4.191 0 50 EIAA CCn1c([C@H](C)NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)nc2ccccc21 228345600 YEYLITBABVPTKD-DAYGRLMNSA-N 339.483 4.472 0 50 EIAA O=C(O)c1ccc(CN2CCC[C@]3(CCCc4ccccc43)C2)cc1 263574449 NPJZFOIGBBUDFI-JOCHJYFZSA-N 335.447 4.255 0 50 EIAA Fc1c(F)c(Cl)c(I)c(F)c1Cl 263622738 AKZOXSRQKJEDLX-UHFFFAOYSA-N 326.870 4.015 0 50 EIAA Fc1c(F)c(Cl)c(I)c(Cl)c1F 263625407 ZQBSHXWXWCRXHH-UHFFFAOYSA-N 326.870 4.015 0 50 EIAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3ccc(CC(C)C)cc3)[C@H]2C1 426470920 VIGBRTUBYXJZNT-PCCBWWKXSA-N 331.500 4.044 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)Cc2ccncc2)cc1Cl 822816000 XCVNYZJWBVSCNI-UHFFFAOYSA-N 345.830 4.045 0 50 EIAA CN(Cc1noc(C2CC2)n1)c1nc2cc(C(C)(C)C)ccc2o1 1857682019 MCZLBFYNRAXPJF-UHFFFAOYSA-N 326.400 4.022 0 50 EIAA CC(C)(C)C[C@@H](c1cccnc1)n1ccnc1-c1cnn2cccnc12 1857691327 GPXVKYOZSOCXRJ-KRWDZBQOSA-N 346.438 4.013 0 50 EIAA Cc1cccc([C@@H](CN)C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 1875316615 CKKPYIYUUYXTIA-MJGOQNOKSA-N 342.870 4.054 0 50 EIAA Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2)c(C)c1 48256 XQNWVQTYQUGPJM-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA COc1cc(OC)c(CN[C@@H]2CCCC[C@H]2C)cc1Br 183543 AREXKMGOXFFPOL-BXUZGUMPSA-N 342.277 4.135 0 50 EIAA CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)O)c1C 468410 OXQPIZCVNMABDR-ZDUSSCGKSA-N 341.407 4.224 0 50 EIAA Cc1cnn(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)c1 477205 GTFKGYVXTXJAFA-UHFFFAOYSA-N 348.793 4.144 0 50 EIAA COC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc(C)c1C 1053640 ZTALSFACMUSIAZ-UHFFFAOYSA-N 329.830 4.119 0 50 EIAA CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1ccc(C)c(C)c1)C2=O 4951745 JHPNRPSWGLXONC-UHFFFAOYSA-N 343.382 4.460 0 50 EIAA Clc1cccc(-c2noc(CN3CC[C@@H]4CCCC[C@H]4C3)n2)c1 12206819 XPRHMSMGSWXMTI-ZFWWWQNUSA-N 331.847 4.402 0 50 EIAA Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2Cc2ccoc2)n1 65385377 NYEAEEPSJZBASU-UHFFFAOYSA-N 346.434 4.247 0 50 EIAA O=C(NCC1=CCCN(CCC2CCCCC2)C1)c1ccccc1 65393931 ZDBPQXRRNTWSDC-UHFFFAOYSA-N 326.484 4.019 0 50 EIAA CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccccc1C(F)(F)F 72140621 ONRKRWKATNSOJQ-LLVKDONJSA-N 337.345 4.131 0 50 EIAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(c1cccc2cccnc12)C1CCCC1 110606541 OMNZHHALRRVDMB-ZHALLVOQSA-N 336.435 4.078 0 50 EIAA Cc1cnc([C@H](NC(=O)c2cnc(-c3ccco3)s2)C2CC2)s1 173576881 CBQMRIPIRBJQON-CYBMUJFWSA-N 345.449 4.049 0 50 EIAA CCCC[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1cccnc1 222466599 RFHJQLWFRRYVRW-INIZCTEOSA-N 332.831 4.031 0 50 EIAA COc1ccccc1-c1ncc(CN(C)CCC[C@H]2CCCO2)s1 299776622 AWMBEHFKQHHYBC-HNNXBMFYSA-N 346.496 4.210 0 50 EIAA Cc1ccc2nc([C@H]3CCCN(C(=O)N(C)C4CCCC4)C3)[nH]c2c1 328789532 KTOQELZOKZTXDS-HNNXBMFYSA-N 340.471 4.045 0 50 EIAA FC(F)c1nnc(N2CCC[C@H]2C[C@@H]2CCCc3ccccc32)o1 368387222 FYJABHBPRWYTBZ-KBPBESRZSA-N 333.382 4.486 0 50 EIAA COc1cccc([C@H]2CCN2C(=O)Nc2c(C)nn(C(C)C)c2C)c1 426571512 NFHRMRBWSGCNSZ-QGZVFWFLSA-N 342.443 4.068 0 50 EIAA O=C(/C=C/c1cc(CO)cs1)N(Cc1ccsc1)C1CCCC1 952964060 KXEOOJZOOJRBMR-AATRIKPKSA-N 347.505 4.287 0 50 EIAA CC1=CC2(CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)OCC1 1704332819 UMIIRQFGWPYZOL-KRWDZBQOSA-N 333.497 4.301 0 50 EIAA Oc1cc(C2CC(F)(F)C2)nc(-c2cccc(Br)c2)n1 1776003599 ABXTZGXEZKOZOX-UHFFFAOYSA-N 341.155 4.124 0 50 EIAA Cc1cc(C[C@@H](C)n2ccnc2-c2ccc(CC(F)(F)F)cc2)n[nH]1 1857681824 BQEXXPQHHMIFLL-CYBMUJFWSA-N 348.372 4.490 0 50 EIAA c1cncc(-c2ccc(-c3nccn3CC[C@@H]3CCCOC3)cc2)c1 1857700579 JMJKFELWRMTJRZ-KRWDZBQOSA-N 333.435 4.429 0 50 EIAA CCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(C)cc1C 1875318078 DBXBFUJZDAVTOT-UHFFFAOYSA-N 340.828 4.123 0 50 EIAA CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 64038 JXOMQSNONJXEJR-DHZHZOJOSA-N 329.783 4.169 0 50 EIAA Cc1cccc(NC(=O)c2cc(Br)ccc2Cl)n1 170999 MROOCPRUJXUUFJ-UHFFFAOYSA-N 325.593 4.058 0 50 EIAA CC1(C)[C@H](C(=O)Nc2ccc3ccccc3c2)CC[C@@]1(C)C(=O)O 190250 CLINVXMMKYZOKG-JXFKEZNVSA-N 325.408 4.305 0 50 EIAA CO[P@@](=O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 199028 KJTAYBPTFGWZRB-DEOSSOPVSA-N 338.343 4.130 0 50 EIAA Cc1ccc2nc(-c3ccc(-n4ccnc4)cc3)cc(C(=O)O)c2c1 204482 ILEOTZBUYRTOEZ-UHFFFAOYSA-N 329.359 4.094 0 50 EIAA CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Cc2ccccc2)CCO1 206871 CZINEGVPVXZXAS-HXUWFJFHSA-N 337.463 4.216 0 50 EIAA Cc1ccc(OCC(=O)Oc2ccc(Br)cc2)cc1C 272973 LYDSAHPXPVZBCL-UHFFFAOYSA-N 335.197 4.050 0 50 EIAA COc1cccc(OC)c1C(=O)Nc1c(Cl)cccc1Cl 398537 YVNDPQKOSAIVGR-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 434233 RQUWGSGJSBOYPO-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA Cc1cccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)c1 609292 RBDBSEYGKDMROF-UHFFFAOYSA-N 330.884 4.146 0 50 EIAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc21 2732555 WOZMUVVVZIOSDV-UHFFFAOYSA-N 335.329 4.454 0 50 EIAA COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)cc(OC)c1 4986459 NJURGPKKWIJLMG-UHFFFAOYSA-N 327.399 4.132 0 50 EIAA O=C1CN=C(c2ccc(Cl)cc2)c2c(sc3c2CCCC3)N1 6557384 BLMDEUNTBGRCKZ-UHFFFAOYSA-N 330.840 4.070 0 50 EIAA CCc1[nH]c2c(CN[C@H](C)Cc3cccnc3)cc(F)cc2c1C 12318986 ZVMHKPBAEFHVMO-CYBMUJFWSA-N 325.431 4.294 0 50 EIAA CCN(CC=C(C)C)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 12442648 JHTMWRWEWLSFKH-FQEVSTJZSA-N 332.507 4.368 0 50 EIAA Cc1ccccc1[C@@H](CC(=O)N1CCSCC1)c1ccccc1 14951493 YIKDEZAKVZJEAI-IBGZPJMESA-N 325.477 4.092 0 50 EIAA CCN1CCN(CCCCOc2ccccc2-c2ccccc2)CC1 20406362 CORZDNTWUWCIHY-UHFFFAOYSA-N 338.495 4.150 0 50 EIAA Brc1cccc([C@H]2NCCc3c2[nH]c2ccccc32)c1 22018219 JLLIXGNATVZMLM-MRXNPFEDSA-N 327.225 4.166 0 50 EIAA O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1Cl 44900803 WXQDZTPGLICBBV-INIZCTEOSA-N 341.798 4.320 0 50 EIAA COc1ccc(CN2CCCC2)cc1Oc1cccc(NC(C)=O)c1 67559630 GEMXLQGGQLUQOK-UHFFFAOYSA-N 340.423 4.042 0 50 EIAA CCc1ccccc1OC1CN(C(=O)c2sc(C(C)C)nc2C)C1 92045629 GBSZGJBVTJCJAX-UHFFFAOYSA-N 344.480 4.041 0 50 EIAA CCc1nc(C)c(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)o1 97394522 HAKRUHTXHJHYHU-SECBINFHSA-N 326.318 4.055 0 50 EIAA COc1cc(F)cc(NCc2nc(-c3ccc(Cl)cc3)no2)c1 128639757 JZROPZFAEYNMDI-UHFFFAOYSA-N 333.750 4.150 0 50 EIAA CCc1cnc(NC(=O)Nc2c(C)noc2-c2ccccc2)s1 170609747 CJGFOSXYFJXWKZ-UHFFFAOYSA-N 328.397 4.313 0 50 EIAA C[C@H](CNc1ncnc2sc3c(c12)CCC3)Oc1ccccc1 170626633 HMJFCZXMVYFXIP-GFCCVEGCSA-N 325.437 4.059 0 50 EIAA O=C(Nc1cccc(Oc2cccnn2)c1)c1cc2c(F)cccc2[nH]1 173172925 OMIZDTJLCFIBOA-UHFFFAOYSA-N 348.337 4.142 0 50 EIAA Clc1ccc(-c2cc(CNc3cccc4c3OCCO4)on2)cc1 178320644 RHDDVLKKBUZVGL-UHFFFAOYSA-N 342.782 4.378 0 50 EIAA Fc1cc(CNc2ccc(Cl)c(Cl)n2)ccc1-n1ccnc1 225640868 UIWKPTRSUABXLV-UHFFFAOYSA-N 337.185 4.325 0 50 EIAA CSc1cccc(F)c1C(=O)N[C@@H](C)c1nc(C2CCCC2)no1 241409041 NEAYVXZKUFPWKP-JTQLQIEISA-N 349.431 4.079 0 50 EIAA CC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1N1CCC(C)CC1 390834932 TTYWDRYJHHMPAJ-UHFFFAOYSA-N 332.444 4.473 0 50 EIAA Cc1nnc(CSc2nc3cc(C(F)(F)F)ccc3s2)o1 408514017 HATIPWSMYWJZBT-UHFFFAOYSA-N 331.344 4.299 0 50 EIAA O=C(Nc1ccc(Oc2ccccc2)cn1)c1cccc(Cl)n1 728553496 GBQZKUOZDVWCSC-UHFFFAOYSA-N 325.755 4.175 0 50 EIAA CCOc1ccc2c(c1)[C@H](N[C@H](C)c1cc(O)cc(F)c1)CCO2 926208848 BEBIRDNZPXJOTO-KZULUSFZSA-N 331.387 4.104 0 50 EIAA CCCOc1c(Cl)cccc1NC(=O)CCc1c(C)nn(C)c1C 952966796 WWSQBCSAVGYUEP-UHFFFAOYSA-N 349.862 4.050 0 50 EIAA C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1cc2ccccc2nn1 1219265277 MXSLEELYHJMMFJ-VBKZILBWSA-N 346.434 4.465 0 50 EIAA CCCNC(=O)c1cccc(-c2ccc(OC)c3nc(C)ccc23)c1 1506399035 XAUSHFUENFIVHP-UHFFFAOYSA-N 334.419 4.359 0 50 EIAA Cc1ccc(C)n1-n1c(C)nc2sc(-c3ccccc3)cc2c1=O 102517 NTBYDQWJYWLNKC-UHFFFAOYSA-N 335.432 4.163 0 50 EIAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1 136394 MTAGKCCPNGWCMP-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA CCOc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 191599 ALZOYFGXIOIDFM-UHFFFAOYSA-N 333.815 4.373 0 50 EIAA COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(C)cc3)nc1-2 249553 XSGKLHWFHOZEJG-UHFFFAOYSA-N 336.416 4.284 0 50 EIAA Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3O)n2)n1 300198 MJZPVJAZGCSQSL-UHFFFAOYSA-N 342.402 4.319 0 50 EIAA Cc1nc2ccccc2n1C[C@H](O)COc1ccc(C(C)(C)C)cc1 303444 FMZRGVFDEOGNEU-KRWDZBQOSA-N 338.451 4.082 0 50 EIAA COc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)cc1OC 349930 KEFNZUZKDZBHJN-UHFFFAOYSA-N 331.393 4.057 0 50 EIAA Cc1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1C 450436 XUBPKTWLIFNLTP-UHFFFAOYSA-N 338.432 4.485 0 50 EIAA Cc1cccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c1 458818 BEUCYVUIGMGKAR-UHFFFAOYSA-N 339.508 4.131 0 50 EIAA CCn1cc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cn1 2806621 OJAWLNYCFYYEOY-HNNXBMFYSA-N 348.450 4.133 0 50 EIAA COc1ccc(CN(C)CCc2ccccc2)cc1Br 19635122 OOIJDBUDYHZHNY-UHFFFAOYSA-N 334.257 4.132 0 50 EIAA COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1OC 20551118 CSDVOSSTKXKCFZ-CYBMUJFWSA-N 340.423 4.075 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2ccc(O)cc2)c1 55098985 AYRIWSJAUPADFJ-HXUWFJFHSA-N 339.435 4.090 0 50 EIAA Cc1c([C@H](C)NC(=O)c2sccc2Cl)cnn1-c1ccccc1 91906663 IRJNEBYFBOSRRR-NSHDSACASA-N 345.855 4.387 0 50 EIAA Cc1ccc(C)c(NC(=O)C(=O)CC(=O)c2cccc3ccccc23)c1 100721471 VIBKNVCDKSZYJG-UHFFFAOYSA-N 345.398 4.237 0 50 EIAA C[C@@H](OC(=O)Cc1cccc(C(F)F)c1)c1nc2ccccc2n1C 170618342 FZJNUGISHORVFK-GFCCVEGCSA-N 344.361 4.358 0 50 EIAA COc1c(C)cc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cc1C 179505107 ZYRHEULRMFZEKG-UHFFFAOYSA-N 347.418 4.046 0 50 EIAA C[C@@H](N[C@@H](c1nccs1)C1CC1)c1ccc(Br)o1 192903549 LFNIXJMWPSWJLE-PRHODGIISA-N 327.247 4.301 0 50 EIAA CCCc1nc(C)c(CNC(=O)Cc2c(F)cccc2Cl)s1 222428198 HYZTXQVGUQOKAE-UHFFFAOYSA-N 340.851 4.055 0 50 EIAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)s1 236636624 FTFMXZYJQMKMMC-UHFFFAOYSA-N 339.800 4.139 0 50 EIAA CC1(C)CC[C@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)O1 492175687 LUTYAXXMXVAFJV-WOJBJXKFSA-N 335.447 4.118 0 50 EIAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1cccs1 827802383 FLECNPSFSPGMLO-MRXNPFEDSA-N 325.433 4.374 0 50 EIAA CC(C)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1 1210228980 NHSDBQCJWDCJOM-DNVCBOLYSA-N 329.465 4.192 0 50 EIAA CC(=O)Nc1ccc2nc(-c3ocnc3Cc3ccccc3)ccc2c1 2356145843 KQADSDQZHYOCRK-UHFFFAOYSA-N 343.386 4.439 0 50 EIAA CC(C)(C)c1ccc(CC[C@H]2OC[C@H](CN3CCCCC3)O2)cc1 171796 VVQPTNXUXFFVHA-PMACEKPBSA-N 331.500 4.144 0 50 EIAA COc1ccc(CCNC(=S)Nc2cccc(Cl)c2C)cc1 307369 QDVKNCQXFOCQTP-UHFFFAOYSA-N 334.872 4.186 0 50 EIAA CCc1c(C)sc(NC(=O)/C=C/c2cccs2)c1C(=O)OC 356053 QTMKMHWFERYIDL-BQYQJAHWSA-N 335.450 4.119 0 50 EIAA CCN(CC)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1 609734 RCAVEKOLEPBWGD-UHFFFAOYSA-N 331.460 4.159 0 50 EIAA CCN(CC)c1ccc(NC(=O)Nc2cc(OC)ccc2OC)cc1 611636 XXYZRPFQLSCEAL-UHFFFAOYSA-N 343.427 4.194 0 50 EIAA COc1ccccc1/C=C/C(=O)NCCSc1ccc(Cl)cc1 2815083 KRDGGJNVCZWNES-IZZDOVSWSA-N 347.867 4.270 0 50 EIAA Cc1ccc(NC(=O)CSc2ncnc3sc(C)cc23)c(C)c1 4488371 GPDIIDMBJNWPDR-UHFFFAOYSA-N 343.477 4.347 0 50 EIAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)O 4544052 UVZBUUTTYHTDRR-GEVFOBPOSA-N 336.472 4.158 0 50 EIAA in-vitro CC[C@H](C)Nc1ncnc2sc([C@@H]3COc4ccccc4O3)cc12 6489580 GBMPWKUUQPHOGO-NHYWBVRUSA-N 341.436 4.414 0 50 EIAA COc1ccc(CC[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc1 12431020 HDZRTSFYTIYKJM-INIZCTEOSA-N 329.465 4.242 0 50 EIAA CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 13326806 ZVAGCUGXBPKDLQ-LLVKDONJSA-N 328.437 4.084 0 50 EIAA CCCCn1c(=N)n(C[C@H](O)c2ccc(Cl)cc2)c2ccccc21 19832390 NVBRUDUQVFCLRC-SFHVURJKSA-N 343.858 4.109 0 50 EIAA CCOC(=O)C(C)(C)[C@](O)(CC)c1ccc2cc(OC)ccc2c1 38642992 BGPCDCAZLBBOTJ-FQEVSTJZSA-N 330.424 4.035 0 50 EIAA c1ccc(CCc2n[nH]c(-c3ccc([C@H]4CCCO4)s3)n2)cc1 65468303 ZMLURZGERLWQOR-CQSZACIVSA-N 325.437 4.170 0 50 EIAA CC1=CC[C@@H]2CN(Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@@H]2C1 67879739 SFMANXXHZIWARE-UXHICEINSA-N 344.462 4.184 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cc1O 71738738 MCLYHOCGQXZNES-KRWDZBQOSA-N 341.426 4.325 0 50 EIAA O=C(c1ccc2nccnc2c1)N1CCCC[C@@H]1c1cccc(F)c1 77489763 BAGAJBIYVRXLON-LJQANCHMSA-N 335.382 4.136 0 50 EIAA Cc1cccc2nc(C(=O)N3CCCCC[C@@H]3c3ccco3)c(F)n12 91563431 SMNKUPWGFWVZFF-CQSZACIVSA-N 341.386 4.132 0 50 EIAA Cc1cc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)c(C)s1 177794909 CUPDWPQZTVQBHL-LLVKDONJSA-N 331.416 4.405 0 50 EIAA CCC[C@@H]1COCCN1C(=O)c1cccc(-c2ccccc2OC)c1 220225486 GDNLQJRRBCKRPV-GOSISDBHSA-N 339.435 4.003 0 50 EIAA C[C@@H](C1CC1)n1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cn1 225551975 REGRFAAJAQGOST-GXFFZTMASA-N 344.381 4.049 0 50 EIAA Cc1noc([C@@H]2CCCCN2Cc2cc(C3CCCCC3)no2)n1 244874135 WVABYEDNHVVDHM-KRWDZBQOSA-N 330.432 4.141 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]32)C1 253527882 OQHMNEGOKQMOFM-PRDKCSMWSA-N 332.484 4.242 0 50 EIAA FC(F)Oc1ccc(CNCc2noc3c2CCCC3)cc1Cl 288486917 QMXUTOUXHKKGSB-UHFFFAOYSA-N 342.773 4.098 0 50 EIAA Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CC(F)(F)F)c1 408515725 XGWYYVAOFZTXAK-UHFFFAOYSA-N 326.293 4.015 0 50 EIAA C[C@H]1Cc2ccccc2N(C(=O)c2ccc(-c3cncnc3)cc2F)C1 481861452 JGKGPKXOJHLUGK-AWEZNQCLSA-N 347.393 4.122 0 50 EIAA O=C(C[C@@H](Cn1cccc1)c1ccccc1)N1CCc2ccccc2C1 888105172 YWDYCARDGFZTAV-QFIPXVFZSA-N 344.458 4.247 0 50 EIAA C[C@@H](CCSc1ccc(F)cc1)NCc1ccc2nc(O)[nH]c2c1 952980375 XASCQGDBBFQBAH-LBPRGKRZSA-N 345.443 4.068 0 50 EIAA N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1c1ccc(F)c(Cl)c1 1848443878 CLJMTNBQXYITCM-UHFFFAOYSA-N 342.761 4.122 0 50 EIAA FC(F)n1c(CCN[C@H]2CCCc3ncccc32)nc2ccccc21 2325760140 XJRUAUQAJVPGLL-HNNXBMFYSA-N 342.393 4.036 0 50 EIAA CC[C@]1(O)CCC[C@H]2CN(Cc3ccc(-c4ccccn4)cc3)C[C@H]21 2356156657 LVYPRUMSHCXVSQ-VWPQPMDRSA-N 336.479 4.122 0 50 EIAA C[C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 132344 MYWVLJZHGIYJKO-AWEZNQCLSA-N 338.476 4.216 0 50 EIAA Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1Cl 555838 MUKVPCSXOCFUEA-UHFFFAOYSA-N 331.828 4.256 0 50 EIAA COc1cccc(NC(=O)Nc2ccc(Br)cc2F)c1 2857739 JASHSXQSSNYHJZ-UHFFFAOYSA-N 339.164 4.241 0 50 EIAA Cc1ccc(-n2cnc3nc(C)c(C(=O)O)c(-c4ccccc4)c32)cc1 4350963 ASNCEWHDNFWJLC-UHFFFAOYSA-N 343.386 4.403 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1cccs1 22461581 FBKKXWVLXDWVMB-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA FC(F)(F)c1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1 25369000 ZFSYVXJOSAJBOS-UHFFFAOYSA-N 333.269 4.121 0 50 EIAA Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)[nH]n2)cc1 29980321 LNTIHSULZPHMNA-AWEZNQCLSA-N 337.398 4.357 0 50 EIAA CCOc1ccccc1OCCNCCCc1c[nH]c2ccccc12 34525455 NKCHUXKCPICSSS-UHFFFAOYSA-N 338.451 4.168 0 50 EIAA COc1ccccc1CN(Cc1ccc(-n2cccn2)cc1)C1CC1 55211752 RKFNGEGCQKQTQY-UHFFFAOYSA-N 333.435 4.046 0 50 EIAA CN(C)C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 72161045 YLYMHXKJDCESPU-ZDUSSCGKSA-N 328.378 4.032 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc2nc(C)cn2c1 82098308 NDPHFMABMSYDHF-GOSISDBHSA-N 336.439 4.041 0 50 EIAA CCCN(Cc1cccc(Cl)c1)C(=O)c1cc(CC(C)C)nn1C 82125575 TZGGNSUIBUECPS-UHFFFAOYSA-N 347.890 4.324 0 50 EIAA Cc1c(Cn2cc([C@H]3CCOC(C)(C)C3)nn2)oc2ccccc12 91645593 VESLZIQQOZFYRP-AWEZNQCLSA-N 325.412 4.054 0 50 EIAA Cc1noc(C)c1CSCc1nc(Cc2ccc(Cl)cc2)no1 109611858 ZDZAARHDZDUQIX-UHFFFAOYSA-N 349.843 4.352 0 50 EIAA Cc1cc(Cl)ncc1NC(=O)CSc1ccc(F)cc1F 135928430 WOXDUGOHLVCOFP-UHFFFAOYSA-N 328.771 4.052 0 50 EIAA C[Si](C)(C)[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C 169816778 JJJKROZNVLOJHB-UHFFFAOYSA-N 328.680 4.083 0 50 EIAA Cc1nc([C@@H]2CCCN2Cc2ccc(SC3CCCCC3)o2)n[nH]1 215741713 JDNHHZISDILUPX-INIZCTEOSA-N 346.500 4.468 0 50 EIAA CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2cccc(F)c2)c1 221290766 REXDAJSXMNRXLF-IBGZPJMESA-N 327.399 4.134 0 50 EIAA CN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@@H](c1ccc(Cl)cc1)c1cccnc1 245316875 LAFBKDIAPSSYEF-MANSERQUSA-N 340.854 4.329 0 50 EIAA CCCc1nc(-c2noc(C[C@@H](C)c3ccccc3OC)n2)co1 289179968 QZCRKDWVDDBFBU-GFCCVEGCSA-N 327.384 4.032 0 50 EIAA CC[C@H](Nc1ncnc2sc(C(=O)O)c(C)c12)c1cccs1 299765493 NQZIUKMNUKRTFX-VIFPVBQESA-N 333.438 4.323 0 50 EIAA Cc1cc([C@H]2CCCN2C(=O)Nc2ccc3sc(C)nc3c2)on1 299769993 NRMSEKPEQYQRHO-CQSZACIVSA-N 342.424 4.270 0 50 EIAA Cc1noc([C@H]2CCCN(c3ccnc4cc(F)c(Cl)cc34)C2)n1 333569154 PKRYOAPVYQNAJV-NSHDSACASA-N 346.793 4.103 0 50 EIAA Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@@H]1C2 409413566 GHWUZZCCPXLMSI-IFHVOKJLSA-N 328.500 4.135 0 50 EIAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)cc1 426503065 QWQMKCBAGWKRNL-GOSISDBHSA-N 345.874 4.097 0 50 EIAA CCc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c(C(=O)OC)c1 1360290819 ARJTURZTYRBZID-ZNZDAUKMSA-N 337.419 4.024 0 50 EIAA Cc1ccc(N2CCC(N[C@H](c3cccc(C)n3)C3CC3)CC2)cc1 1506422031 ZNZSDIKRZWIAHT-QFIPXVFZSA-N 335.495 4.408 0 50 EIAA CC(C)[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]1N(C)C 1565529055 UGYVOKGJKVYCCG-RTWAWAEBSA-N 336.479 4.012 0 50 EIAA O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(Cl)cc21 2325735290 QRUNNMAOPKEFMJ-OAHLLOKOSA-N 338.794 4.393 0 50 EIAA CC(C)(CN[C@@H]1CCc2cc(-c3cccnc3)ccc21)c1cnccn1 2325807186 GVXRSFZCAUHYRJ-HXUWFJFHSA-N 344.462 4.093 0 50 EIAA CCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1Cl 97734 RBADTROJBNDVET-UHFFFAOYSA-N 347.827 4.304 0 50 EIAA COc1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc(OC)c1 205127 RRQAQUQZMQTEMW-UHFFFAOYSA-N 338.407 4.065 0 50 EIAA COc1ccc(-n2cnc3scc(-c4ccccc4)c3c2=O)cc1 313677 LYYSGMYNSDWZJR-UHFFFAOYSA-N 334.400 4.123 0 50 EIAA O=C(CC1CCCCC1)Nc1ccc(I)cc1 317294 HDCPMPDYOMZKJJ-UHFFFAOYSA-N 343.208 4.200 0 50 EIAA Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl 452267 AGXGQDJYLQDXQO-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA O=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)c1cccs1 550843 MPNZKURRHZODRC-OAHLLOKOSA-N 329.396 4.432 0 50 EIAA CCCCc1cc(=O)oc2cc(OC(=O)c3cccs3)ccc12 2976086 WZQPBTAADQAQFH-UHFFFAOYSA-N 328.389 4.416 0 50 EIAA C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F 4185465 FLBSBKOPWWPZAZ-SNVBAGLBSA-N 327.277 4.251 0 50 EIAA Cc1cccc(N2CCN(C(=O)c3csc(C(C)C)c3)CC2)c1C 13331995 ALLMRKVQFMTUCV-UHFFFAOYSA-N 342.508 4.451 0 50 EIAA COc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c(OC)c1 13745112 CCNDRHUOVUIHPQ-SECBINFHSA-N 340.832 4.301 0 50 EIAA Cc1ccnc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1 16580013 NWXBKZLZDWTEEJ-SNVBAGLBSA-N 325.195 4.103 0 50 EIAA O=C1[C@H]2CCCC[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 16672094 OQQWIGJNUJLEHO-DTORHVGOSA-N 347.629 4.149 0 50 EIAA CCCOCCn1ccc(-c2cccc(-c3nc(C)cnc3C)c2)n1 23478156 KEYHRDAYQQNPTF-UHFFFAOYSA-N 336.439 4.051 0 50 EIAA COc1cc2c(cc1-c1nccn1[C@H](C)c1nc(C)cs1)CCC2 71763401 FQSQTHGJFKKOJM-CYBMUJFWSA-N 339.464 4.422 0 50 EIAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CC[C@@H]1c1ccc(F)cc1 92062100 GOVFMOYOYRJCFF-GOSISDBHSA-N 340.373 4.271 0 50 EIAA CCSCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 97632070 HZRAEEPUXVQMIJ-AGXSTUJCSA-N 343.536 4.394 0 50 EIAA COC[C@H](c1ccccn1)N(C)Cc1ccccc1OC1CCCC1 216192570 UHRRQQMKQPRIOP-HXUWFJFHSA-N 340.467 4.223 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1C(=O)CCCCC(=O)N1[C@H](C)CCC[C@H]1C 239415360 UFQWQGQEWQONBQ-BRSBDYLESA-N 336.520 4.126 0 50 EIAA O=C(Nc1ccc2[nH]ncc2c1)N(Cc1ccccn1)C1CCCCC1 299768539 LAXMFGPXDFZZCI-UHFFFAOYSA-N 349.438 4.325 0 50 EIAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)c2c(O)cccc21 469293776 QCYJPTYQHOZBTF-JVJLVOBOSA-N 333.431 4.137 0 50 EIAA C[C@H]1CN(c2ccc(N[C@H](C)c3ccc(C(F)F)nc3)cc2)CCO1 850457884 PLKNEQSMSJVHLD-UONOGXRCSA-N 347.409 4.417 0 50 EIAA COc1ccc(NC(C)(C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 1506408558 SZJXRXPHOOPULI-MRXNPFEDSA-N 340.467 4.380 0 50 EIAA Cc1ccncc1-c1cn(CCc2c(Cl)cccc2Cl)nn1 2325855178 LBWGTBXGRYENIH-UHFFFAOYSA-N 333.222 4.198 0 50 EIAA C[C@H](NC(=O)N1CCOC[C@H](C(C)(C)C)C1)c1cc2ccccc2o1 2325869074 XXLDCFVIHDVTAM-GOEBONIOSA-N 344.455 4.198 0 50 EIAA COc1cc(/C=C/C(=O)NC(C)(C)C)ccc1OCc1ccccc1 144601 PAFDHYZZBXGAHT-ACCUITESSA-N 339.435 4.202 0 50 EIAA O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)c2cccs2)c1 316505 VUDPFJWXNJTCAY-CMDGGOBGSA-N 338.388 4.245 0 50 EIAA COc1cc(OC)c(NC(=O)Nc2ccc(F)cc2F)cc1Cl 397769 PXAHWORRZPGWSL-UHFFFAOYSA-N 342.729 4.279 0 50 EIAA CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1F 464410 KRWHBWJQXCXLRG-GFCCVEGCSA-N 330.428 4.466 0 50 EIAA Cc1ccc(F)cc1NC(=O)CSc1nc2ccccc2s1 469763 YGMLSMIUTBYSPW-UHFFFAOYSA-N 332.425 4.475 0 50 EIAA COC(=O)Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 619697 CHUFHPGNTGCKBR-UHFFFAOYSA-N 345.398 4.321 0 50 EIAA COc1cc(CNc2ccc(Br)c(C)c2)cc(OC)c1 1214920 XLWAIXASHHAQMQ-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA O=C(O)[C@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 2379523 TXQKSMSLZVKQBI-FQEVSTJZSA-N 335.447 4.305 0 50 EIAA biogenic,in-vitro Cc1ccc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)cc1 3912934 KEXVSOBAHFZGSB-OUKQBFOZSA-N 328.371 4.458 0 50 EIAA CC[C@H](C)N1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 4695932 POQSZIOMVXPHDP-KWINOFQJSA-N 340.242 4.284 0 50 EIAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 5439912 OEFLEOOFRIPWSP-UHFFFAOYSA-N 329.787 4.111 0 50 EIAA CCn1nc(C)c(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)c1C 6490015 GXTGTEKTQMRVAS-UHFFFAOYSA-N 343.515 4.085 0 50 EIAA Cc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(C(C)(C)C)cc1 6698398 FNOYGYAVCPKPBH-UHFFFAOYSA-N 346.452 4.219 0 50 EIAA Cc1ccc(-n2nnnc2COc2ccc3ccccc3c2)c(C)c1 6760054 ACUDVVJUIWMWPX-UHFFFAOYSA-N 330.391 4.011 0 50 EIAA Cc1nn([C@H](C)c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1Cl 8548550 NFAHSAUGJFVJOJ-HDPALTEOSA-N 346.862 4.305 0 50 EIAA C[C@H]1Cc2ccccc2N1C(=O)Nc1ccccc1Br 13746466 DIGUFAHLVZBLOU-NSHDSACASA-N 331.213 4.432 0 50 EIAA Cc1ccc(OCC(=O)N(Cc2ccccn2)c2ccccc2)cc1 16265110 QZWCECLHUCXHGM-UHFFFAOYSA-N 332.403 4.002 0 50 EIAA O[C@@H](CNCc1ccccc1OCc1ccccc1)c1ccccc1 16480766 UEBYIZYUEFMKCG-NRFANRHFSA-N 333.431 4.089 0 50 EIAA Cc1cc(C)cc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)c1 17067330 LFQQYOBDWUHGRJ-UHFFFAOYSA-N 328.462 4.215 0 50 EIAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(CC(=O)O)c3n2)cc1C 20349782 ILHLPAXDUPHCQK-UHFFFAOYSA-N 345.349 4.046 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]1c1cccc(F)c1 36620960 UTMOUSZFOFIQGA-SFHVURJKSA-N 336.366 4.458 0 50 EIAA CN(Cc1cc(-c2ccncc2)no1)Cc1ccc(Cl)cc1F 65403272 SYSSHVCMDYLUAP-UHFFFAOYSA-N 331.778 4.161 0 50 EIAA OCc1ccc(-c2ccc(-c3nc(-c4ccccc4F)no3)cn2)cc1 72142151 NZUADOMDGJQPHL-UHFFFAOYSA-N 347.349 4.097 0 50 EIAA Cc1cccc([C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)c1 72412015 RHIJEFZXNNXKET-IBGZPJMESA-N 333.435 4.425 0 50 EIAA Cc1nn(-c2ccccc2)c2c1C(c1cccc(Cl)c1)=NCCN2 95918129 DSBWZKCIHGEZTP-UHFFFAOYSA-N 336.826 4.097 0 50 EIAA FC(F)(F)c1ccccc1CNc1nccc(-c2ccccn2)n1 96151707 VYXWMOJUYOMWMR-UHFFFAOYSA-N 330.313 4.170 0 50 EIAA CC(=O)N(c1ccccc1)c1nc(CSc2nc(C)co2)cs1 188471200 MIPNTMJKRIEAIJ-UHFFFAOYSA-N 345.449 4.416 0 50 EIAA Cc1ccc(CNC(=O)CCCC(=O)c2ccccc2)c2cccnc12 220280124 FLGSEXMAKRZEJQ-UHFFFAOYSA-N 346.430 4.213 0 50 EIAA Cc1n[nH]c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 239309774 HVPVPQFZGNASDB-UQQOHFQVSA-N 326.484 4.056 0 50 EIAA O=C(Nc1cc(C(=O)O)c2c(c1)ncn2C1CCCC1)c1ccccc1 299766916 CTHJUFRFZRHYOT-UHFFFAOYSA-N 349.390 4.102 0 50 EIAA CCC(CC)n1ncc(C(=O)Nc2ccc3oc(CO)cc3c2)c1C 408518374 DUXWZNABOUATLW-UHFFFAOYSA-N 341.411 4.043 0 50 EIAA Cc1ccc(CN(C)C(=O)NCC2(c3ccccc3)CCCC2)o1 426487736 YPLGKAOJNBRPBR-UHFFFAOYSA-N 326.440 4.241 0 50 EIAA c1ccc(CCCCCCN[C@H]2CCOC3(CCOCC3)C2)cc1 886168182 KYVCMEIJIMCMEM-FQEVSTJZSA-N 331.500 4.107 0 50 EIAA Cc1ccc(F)c(C(=O)Nc2ccc(N3C(=O)CC[C@H]3C)cc2)c1F 952978811 SQVVIRQUNKLWQG-GFCCVEGCSA-N 344.361 4.041 0 50 EIAA C[C@@H](O)[C@]1(C)CCCN1C(=O)Nc1ccc2c(c1)oc1ccccc12 1875317440 XLKWBAZYSLTUTL-XCLFUZPHSA-N 338.407 4.353 0 50 EIAA Cc1csc(C[C@@H]2CCCN2Cc2cccc(-c3cnco3)c2)n1 2325802350 BKFCXVPNQWAOSJ-KRWDZBQOSA-N 339.464 4.314 0 50 EIAA COc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1ccccc1)N2 35135 PTLIOFQMZLWJCC-RBUKOAKNSA-N 325.408 4.492 0 50 EIAA Cc1c(OC(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 307352 XTHIEXSPKQFTDD-UHFFFAOYSA-N 334.371 4.199 0 50 EIAA O=C(c1ccc(Cl)cc1Cl)N1CCn2c1nc1ccccc12 617250 IEHRWRPCRHPGFL-UHFFFAOYSA-N 332.190 4.004 0 50 EIAA COc1ccc(-c2nn(C(=O)C(C)C)c3c2C(=O)c2ccccc2-3)cc1 2543361 UIXJCRWYVWKNKZ-UHFFFAOYSA-N 346.386 4.066 0 50 EIAA Fc1ccc([C@H]2C=C(c3ccc(Cl)cc3)N=C3NN=NN32)cc1 2590529 XKQZWFKOUOFVMD-OAHLLOKOSA-N 327.750 4.118 0 50 EIAA CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 2882178 IUVLHWSMMLIKSW-UHFFFAOYSA-N 330.236 4.209 0 50 EIAA CCc1cccc(C)c1NC(=O)c1nnn(-c2c(C)cccc2C)c1C 11690632 ZRJMMBNIPUCXJT-UHFFFAOYSA-N 348.450 4.316 0 50 EIAA O=C(CC1=CCCCC1)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 14973959 UKQHGUBTNQTSLZ-LJQANCHMSA-N 348.446 4.059 0 50 EIAA COc1cc(NC(=O)N2CCC[C@H]2c2cccs2)cc(OC)c1 15837670 RCOVKKCSLIQUTD-HNNXBMFYSA-N 332.425 4.134 0 50 EIAA Fc1ccc(C2=CCN(Cc3ccc(Br)o3)CC2)cc1 23280348 ZNMBZSHECFSJMU-UHFFFAOYSA-N 336.204 4.471 0 50 EIAA COc1ccc([C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)cc1 36621133 MZYUMWIGCPIPCC-GOSISDBHSA-N 329.827 4.255 0 50 EIAA Cc1cc2c(c(-c3nc4c(C)ccc(F)c4cc3C)c1)O[C@H](CN)C2 67742536 APADLPRNAKALPF-HNNXBMFYSA-N 336.410 4.228 0 50 EIAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1cc3ccccc3s1)C2 67805565 VARGJJFJSPNLTL-UHFFFAOYSA-N 337.448 4.046 0 50 EIAA O=C(c1sccc1Cl)N1CCC(c2nccn2CC2CC2)CC1 82096892 VOKLTDGCENJUFG-UHFFFAOYSA-N 349.887 4.028 0 50 EIAA CC(C)c1cccc(CNc2cccc(OC[C@@H]3CCCO3)c2)n1 120754322 ZGMSIMKLJMTPDG-IBGZPJMESA-N 326.440 4.375 0 50 EIAA CC(C)c1noc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)n1 179069392 UTKIHLBTMQLCNQ-QGZVFWFLSA-N 342.830 4.121 0 50 EIAA Cc1nnc([C@@H](C)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)o1 190360647 SWVUHQBAEVOQNS-NXEZZACHSA-N 344.242 4.145 0 50 EIAA Cc1ccc(NC(=O)CNc2ncnc3c(C)csc23)c(Cl)c1 192543134 JNRAQNRAWBZGFN-UHFFFAOYSA-N 346.843 4.012 0 50 EIAA CCCc1ccc(-c2ccc(C(=O)N3CC[C@@H](COC)C3)cc2)cc1 220667388 GOIKSRPDXHFLJV-GOSISDBHSA-N 337.463 4.415 0 50 EIAA CCCc1occc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 281438430 RYFVOYSESMSDSA-LPHOPBHVSA-N 345.414 4.364 0 50 EIAA CCOC(=O)N[C@@H](Cc1ccccc1)c1csc([C@H]2CCCO2)n1 408523984 OYVVJWLDHGYDKG-GOEBONIOSA-N 346.452 4.025 0 50 EIAA CCN(Cc1ccc(C)o1)C(=O)Nc1cc2nc[nH]c2c(C)c1C 426509844 BSQXAASZRCPNIX-UHFFFAOYSA-N 326.400 4.135 0 50 EIAA C[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)c2c(O)cccc21 469293754 QCYJPTYQHOZBTF-JPEVHGAISA-N 333.431 4.137 0 50 EIAA C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCN2 926148565 WPQQWADUVYHGHM-MGPUTAFESA-N 335.451 4.455 0 50 EIAA CN(Cc1ccnc2ccccc12)C[C@@H]1CCN(c2ccccc2)C1 952982850 SBMZQWQXOYXZGL-SFHVURJKSA-N 331.463 4.193 0 50 EIAA CC(C)c1ccc([C@H](C)NC(=O)/C=C/c2cc(CO)cs2)cc1 952987953 KUPAEANUNOQNJP-VFNNOXKTSA-N 329.465 4.254 0 50 EIAA Cc1ccc(N2CCC(N3CCC(c4ccncc4)CC3)CC2)cc1 1506398736 FQVUZLQDQPCDAO-UHFFFAOYSA-N 335.495 4.238 0 50 EIAA Cc1cc(N2CCC(c3cc[nH]n3)CC2)nc2cc3c(cc12)CCC3 1704311735 AYCNJLTVLBIWOE-UHFFFAOYSA-N 332.451 4.139 0 50 EIAA C[C@H](C(=O)Nc1ccc(C2CC2)c(F)c1)n1ccc(C(F)(F)F)n1 1875331528 LQNBAMBNIWGSSO-SECBINFHSA-N 341.308 4.118 0 50 EIAA Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2c1C(=O)CC(C)(C)C2 34346 FOUAOBAEUKHQNX-UHFFFAOYSA-N 338.329 4.234 0 50 EIAA O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 85114 OHCTVLZBJKGOBH-UHFFFAOYSA-N 341.382 4.439 0 50 EIAA COc1cccc(C=O)c1OC(=O)c1ccc(Cl)cc1Cl 310033 PWGDLWSESRKXHI-UHFFFAOYSA-N 325.147 4.034 0 50 EIAA CCOc1ccc([C@@H]2C[C@H](c3ccc(CC)cc3)Nc3ncnn32)cc1 616868 FVYQPYUIAUUJQU-UXHICEINSA-N 348.450 4.386 0 50 EIAA CCOCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 2734956 KBPVIAQBZDIICB-UHFFFAOYSA-N 326.421 4.247 0 50 EIAA O=C(NCCSC1CCCCC1)c1ccc(Br)cc1 2814563 FEQJDIKRJOWNOY-UHFFFAOYSA-N 342.302 4.245 0 50 EIAA CCCCNCCOCCOc1c(Cl)cc(Cl)cc1Cl 2981059 GVTWWOGMVHNPIJ-UHFFFAOYSA-N 340.678 4.432 0 50 EIAA Cc1ccc(NC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 6730405 FAUFVIJYRNXHPE-UHFFFAOYSA-N 336.395 4.017 0 50 EIAA COc1ccc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)cc1 11907490 JZDLBAWJYSZRCV-ZDUSSCGKSA-N 338.432 4.363 0 50 EIAA OC[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(F)cc2Cl)C1 12430835 PDNDSRQTMGQSOZ-HXUWFJFHSA-N 347.861 4.296 0 50 EIAA Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 14836114 YCLKGKDBLPWDPT-UHFFFAOYSA-N 336.435 4.264 0 50 EIAA Cc1[nH]c([C@@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccc(Cl)cc1 23159593 ODSXIHJMUCNXMO-CQSZACIVSA-N 331.847 4.010 0 50 EIAA COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)c1 36620982 LBLCSZIRVXBAFL-SFHVURJKSA-N 340.423 4.381 0 50 EIAA O=C(NCCc1ccccc1)c1ccc(CN2CCCCCC2)cc1 38832964 ZVGFIPPEMOCBAL-UHFFFAOYSA-N 336.479 4.035 0 50 EIAA Cc1ccc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nn1 65363859 RRVAUOJWVHNIOJ-UHFFFAOYSA-N 337.358 4.312 0 50 EIAA CN1CC=C(c2ccc(OC[C@@H]3CCCN4CCCC[C@H]34)cc2)CC1 72159047 NGARRNMYIMZARM-RBBKRZOGSA-N 340.511 4.049 0 50 EIAA CC(=O)c1cc(C(=O)N(Cc2ccncc2)C2CCCCC2)cs1 96149197 WPFSLMLRUODKQD-UHFFFAOYSA-N 342.464 4.321 0 50 EIAA CNC[C@H]1CCN(C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)C1 178966930 ZAUCAOFJQHERBM-CYBMUJFWSA-N 348.899 4.058 0 50 EIAA CSC(C)(C)C[C@@H](C)N[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 244774065 PNGUVYVHUKQZPF-KAZHMNLESA-N 325.562 4.216 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 257346359 YSBQFDHILMUWPK-BPOASIJYSA-N 332.484 4.387 0 50 EIAA COc1ccc([C@@H](C)NCc2scnc2C2CC2)c(C)c1OC 342289124 VUMRFQAHTQIVAI-GFCCVEGCSA-N 332.469 4.197 0 50 EIAA CCN(CCc1ccc(Br)cc1)C(=O)OC(C)(C)C 725326487 CFBUVXYTDMJGSL-UHFFFAOYSA-N 328.250 4.249 0 50 EIAA Cc1cc(N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)nc(C2CCC2)n1 894728650 KIARSTYUQITKFG-KRWDZBQOSA-N 337.402 4.116 0 50 EIAA CC(C)(C)c1ccc(Br)cc1NC(=O)Nc1cc[nH]n1 1467198355 UAJOXMQEAGADGP-UHFFFAOYSA-N 337.221 4.114 0 50 EIAA CCc1cc(NCc2cccc(OCCn3ccnc3)c2)ccc1F 2325719783 VPZHTWVIZMANQM-UHFFFAOYSA-N 339.414 4.276 0 50 EIAA O=C(Nc1ccc(CN2CCCCCC2)cc1)c1cc[nH]c2nccc1-2 2325860957 AACLWBRBEYRDQY-UHFFFAOYSA-N 348.450 4.143 0 50 EIAA Cc1ccc(-c2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)cc1 98594 VIJRHHOOSJBKKL-LBPRGKRZSA-N 334.448 4.439 0 50 EIAA CN(C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 213521 VKHDVLDKLLYIBO-UHFFFAOYSA-N 332.831 4.202 0 50 EIAA FC(F)(F)c1cccc(NC(=S)Nc2ccc3nccnc3c2)c1 613350 WJNWBHPUCVXAPW-UHFFFAOYSA-N 348.353 4.458 0 50 EIAA CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)ccc1OC 4809490 RVYZLUJGXKGNSW-UHFFFAOYSA-N 339.844 4.020 0 50 EIAA N=C1NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)S1 13372435 KPVFEVMHECXJOH-IZZDOVSWSA-N 339.203 4.392 0 50 EIAA C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccncc1 13933143 HBFVCODTJICFKN-JTQLQIEISA-N 325.359 4.148 0 50 EIAA Cc1ccc(C(C)(C)C[C@@H](C)N2CCN(Cc3ccccc3)CC2)o1 22077788 IEHBINBFDIKIOP-GOSISDBHSA-N 340.511 4.462 0 50 EIAA CC(C)Cc1cc(=O)[nH]c(-c2ccccc2CN2CCCCCC2)n1 48212332 ZGUDNZSMRPTZMG-UHFFFAOYSA-N 339.483 4.011 0 50 EIAA O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1ccccn1 55518245 GJBPPYDUDKZBGK-GOSISDBHSA-N 349.459 4.111 0 50 EIAA CCCCC/C=C\C/C=C\C=C\C=C\[C@H](O)[C@H](O)CCCC(=O)O 64858243 UVZBUUTTYHTDRR-XWYPZHSRSA-N 336.472 4.158 0 50 EIAA in-vitro CCc1ncc2c(n1)CN(C(=O)c1ccc(-c3ccc(C)cc3)cc1)C2 67674981 HDKJXIVCSRSEAG-UHFFFAOYSA-N 343.430 4.170 0 50 EIAA Cc1cc(CNC(=O)[C@H](C)N(C)C)c2[nH]c(-c3ccccc3)c(C)c2c1 71735828 LUYNWRUAOGWKPA-INIZCTEOSA-N 349.478 4.018 0 50 EIAA Cc1cn2cc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)ccc2n1 82134146 UMYJGXFLXAFFDI-GOSISDBHSA-N 333.435 4.053 0 50 EIAA Cc1cc2cc(C(=O)NCc3ccc(-c4noc(C)n4)cc3)ccc2o1 91964640 ZGHNXFUUHMQFBW-UHFFFAOYSA-N 347.374 4.030 0 50 EIAA C[C@@H]1CSc2ccccc2N1C(=O)c1csc([C@H]2CCCO2)n1 122201205 YYSOTDVTGCVJOR-BXUZGUMPSA-N 346.477 4.136 0 50 EIAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1oc2c(C)cccc2c1C 156903271 GBUAVOPQFNZCMC-MRXNPFEDSA-N 337.423 4.367 0 50 EIAA Cc1cc(C)cc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)c1 169762214 GNBOCXHPUUIIAR-MRXNPFEDSA-N 339.439 4.002 0 50 EIAA C[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 245965989 YQXGPJZCNVPVFB-JHQQDIAJSA-N 333.497 4.110 0 50 EIAA CSCC1CCN(Cc2ccc(CN3CCCCC3)s2)CC1 252482362 DDTZFFHTDQXLQY-UHFFFAOYSA-N 338.586 4.309 0 50 EIAA CC[C@H](NCc1nc(-c2cc(C)ccn2)no1)c1cccc(Cl)c1 296398496 VNRNILAGKPJRGB-HNNXBMFYSA-N 342.830 4.334 0 50 EIAA CC(C)CN(C(=O)c1ncoc1C1CC1)[C@H]1CCCc2cccnc21 329084626 TWHHDVYTISMCNQ-INIZCTEOSA-N 339.439 4.123 0 50 EIAA CC(C)CN(CC(C)C)C(=O)c1cccc(-c2cc(N)ccn2)c1 426526282 PXNYWFQXDBIHEZ-UHFFFAOYSA-N 325.456 4.085 0 50 EIAA Cc1ccc(CN(C)C(=O)c2ccc(-c3csnn3)cc2)cc1C 1188914790 YIZVFCWLRJIGFD-UHFFFAOYSA-N 337.448 4.094 0 50 EIAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 1772491594 LDIFWCUQQYZOLG-DHSNYONESA-N 346.511 4.020 0 50 EIAA C[C@H]1C[C@@H](N[C@@H](C)[C@@]2(C)CC2(F)F)C[C@@H](C)N1Cc1ccccc1 1875408371 UMLQXDLNOYOSHC-HRAJDOBDSA-N 336.470 4.451 0 50 EIAA Cc1nc(NC(=O)C[C@@H](Cc2ccccc2)c2ccco2)nc(C)c1C 2100483754 MGNDSWYBOKNOEA-GOSISDBHSA-N 349.434 4.350 0 50 EIAA CCCOc1ccc(C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1C(C)C 2325758367 GYWKANNGHPMMTQ-HUUCEWRRSA-N 333.472 4.285 0 50 EIAA Cc1[nH]c2ccccc2c1C(=O)[C@H](C)SCCCn1ccnc1 2325760031 SSSOZNCLZKBRBP-AWEZNQCLSA-N 327.453 4.068 0 50 EIAA O=C([C@H]1C[C@@H]1c1ccncc1)N1CCC[C@@H](c2c[nH]c3ccccc23)C1 2325799170 ZJSYRJFKHLJVCB-QRQLOZEOSA-N 345.446 4.073 0 50 EIAA CC1(C)CCC[C@H]([C@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)C1 2325842397 XBOJNGBRZBFMOE-SIKLNZKXSA-N 343.511 4.263 0 50 EIAA CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc(C(C)=O)c1C 116200 CEOYMKMBRSASDE-UHFFFAOYSA-N 347.392 4.047 0 50 EIAA O=C1OCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 1111204 RTWXQWVWRRRBND-OAHLLOKOSA-N 337.400 4.416 0 50 EIAA CC[C@@H](C)c1ccc(OCCCn2cnc3ccccc3c2=O)cc1 3461022 QGIAPDIXIDHOJM-MRXNPFEDSA-N 336.435 4.379 0 50 EIAA CCOc1ccccc1C(=O)Nc1nnc(S[C@@H](C)CC)s1 6701619 BQSXFAMFAFBXAG-JTQLQIEISA-N 337.470 4.080 0 50 EIAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@@H]1CO 12091341 NQSVELWZOWMDDX-LJQANCHMSA-N 336.435 4.150 0 50 EIAA Cc1ccsc1C(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 12755946 CKAIVXOLDVJNSZ-AWEZNQCLSA-N 347.867 4.445 0 50 EIAA O=C(CC1CC1)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 14976182 KWNVPHRQWZAHOJ-OAQYLSRUSA-N 349.474 4.236 0 50 EIAA Cc1ccsc1C(=O)N1CCc2onc(-c3ccccc3F)c2C1 15066413 RVDGDKSEHROZKF-UHFFFAOYSA-N 342.395 4.049 0 50 EIAA O=C(Nc1nnc(/C=C/c2ccccc2)s1)Nc1ccccc1F 17145709 RVYWNDFFSFAESU-ZHACJKMWSA-N 340.383 4.492 0 50 EIAA OCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 38792828 RPCPDUOXPSQJHC-UHFFFAOYSA-N 348.442 4.004 0 50 EIAA Cc1cc(-c2c(-c3ccccc3)ncn2Cc2nccn2C)ccc1F 65395220 JRFWVJXKEIUEEE-UHFFFAOYSA-N 346.409 4.446 0 50 EIAA C1=C(CCNc2ncncc2-c2nc(-c3ccccc3)no2)CCCC1 169775582 CHRRYMQSJDQOBM-UHFFFAOYSA-N 347.422 4.496 0 50 EIAA O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1CSc2ccccc21 175922411 HCICDJYUXCDUFR-MRXNPFEDSA-N 349.415 4.097 0 50 EIAA COc1ccccc1[C@H]1CCCN1C(=O)c1nc(C(C)C)cs1 215673555 BALSZVISTMFHII-OAHLLOKOSA-N 330.453 4.252 0 50 EIAA Cc1cccc(C2(C(=O)N(C)c3nnc(C)s3)CCCCC2)c1 328596328 HJKDYSARKANAEX-UHFFFAOYSA-N 329.469 4.020 0 50 EIAA Cc1ncc([C@H](C)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c(C)n1 332605656 KGDOQLTVRXUULX-ZDUSSCGKSA-N 337.471 4.451 0 50 EIAA CC1(C)Cc2occc2[C@H](NC[C@@H](CO)Cc2ccc(F)c(F)c2)C1 357848224 JXTHTNDHQBSMNS-KBXCAEBGSA-N 349.421 4.012 0 50 EIAA COc1cccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1F 534875064 UXUIXQCCJBLDFK-CQSZACIVSA-N 329.415 4.321 0 50 EIAA Cc1nccn1CCCNCc1ccc(SC2CCCCC2)o1 952966673 FOFYPOFLCBTFDZ-UHFFFAOYSA-N 333.501 4.389 0 50 EIAA Cc1cc(C)cc(NC(=S)N[C@H](C)[C@H](O)c2ccc(F)c(C)c2)c1 2325823788 FCPGCFBXMWUPEE-KDOFPFPSSA-N 346.471 4.159 0 50 EIAA O[C@@H](CNCc1cccc2ccsc12)Cc1ccc(Cl)cc1 2325870072 IIKJWZHBLBINFI-QGZVFWFLSA-N 331.868 4.248 0 50 EIAA O=C(COC(=O)c1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1 51017 ZTTOUQTVBHTLCR-UHFFFAOYSA-N 348.354 4.224 0 50 EIAA biogenic O=C(NC(=S)Nc1ccccc1Cl)c1ccccc1Cl 63531 FPXMBIMDTLEJFV-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCC)cc2)cc1 143205 AXHTZVWDOXONQF-UHFFFAOYSA-N 342.395 4.414 0 50 EIAA Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(Cl)cc3)C2)cc1 1414086 GJPMHQYGBHVAIX-INIZCTEOSA-N 329.856 4.043 0 50 EIAA O=C1[C@H]2[C@H]3CCCCC3=C3CCCC[C@H]3[C@H]2C(=O)N1c1ccccc1 4872478 DGJJBGKNEXEONI-FGYAAKKASA-N 335.447 4.483 0 50 EIAA CCCn1c2ccccc2c2nnc(SCc3ccncc3)nc21 6715951 NMTMELPCRHRVPB-UHFFFAOYSA-N 335.436 4.077 0 50 EIAA CCN1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 11760089 CACIEFVDIKKESN-GOSISDBHSA-N 338.451 4.033 0 50 EIAA OC[C@]1(CCc2ccccc2)CCCN(Cc2ccc(F)cc2)C1 12584556 MDQMBLZIWDVTHT-NRFANRHFSA-N 327.443 4.033 0 50 EIAA O=C(Nc1ccccc1N1CCCC1)c1ccc([C@@H]2CCCN2)s1 23251723 PNEWWBDQOIKFBO-HNNXBMFYSA-N 341.480 4.025 0 50 EIAA COc1ccc(CNc2cc(C)c3c(OC)ccc(OC)c3n2)cc1 23634054 ZKQYYKBSIWYYOU-UHFFFAOYSA-N 338.407 4.181 0 50 EIAA Cc1c(NCc2cccnc2)cccc1C(=O)N(C)[C@H](C)c1ccco1 55088853 MIODOQXNBVJHGR-MRXNPFEDSA-N 349.434 4.428 0 50 EIAA CC[C@@H](C)N(Cc1ccncc1)C(=O)CCc1ccc(F)c(F)c1 55568883 JMVHFAAEUQCLGR-CQSZACIVSA-N 332.394 4.120 0 50 EIAA O=C(c1cc(F)c(F)cc1Cl)N1CCCC[C@H]1c1ccccn1 72418955 YTRPFOZOJLSGCN-INIZCTEOSA-N 336.769 4.381 0 50 EIAA Cc1cc([C@@H]2CCCCN2Cc2c[nH]nc2-c2cccc(F)c2)no1 97480150 JPSTWVDOMSOURG-SFHVURJKSA-N 340.402 4.239 0 50 EIAA c1ccc2oc(CN3CCC(Cc4noc(C5CC5)n4)CC3)cc2c1 97743202 CXVBLJZFWXYWPI-UHFFFAOYSA-N 337.423 4.148 0 50 EIAA c1cncc(O[C@@H]2CCN(Cc3csc(C4CCCCC4)n3)C2)c1 152213155 JPTFPNRZTYXULJ-GOSISDBHSA-N 343.496 4.239 0 50 EIAA Cc1cc(C)cc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c1 169755524 KYYPMCJAUCCVAL-UHFFFAOYSA-N 346.434 4.151 0 50 EIAA CCCN(Cc1sc(C)nc1C(F)(F)F)C[C@@H]1CCCCO1 183611507 XWKAMMOLKBVQBZ-LBPRGKRZSA-N 336.423 4.251 0 50 EIAA Cc1cc(-c2noc([C@@H](C)Nc3cnn(C(C)(C)C)c3)n2)ccc1F 186266471 YSAIJVLNWDKXRU-GFCCVEGCSA-N 343.406 4.309 0 50 EIAA CC(C)c1nc(CNC(=O)CCCc2c[nH]c3ccccc23)cs1 299784403 JQDRZGBXEWHUEF-UHFFFAOYSA-N 341.480 4.387 0 50 EIAA CC[C@@H]1COCCN1C(=O)c1cccc(-c2ccc3cc[nH]c3c2)c1 299786702 PCQXHNTVNRSGLX-LJQANCHMSA-N 334.419 4.086 0 50 EIAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)NCc1cc2ccccc2o1 299791552 GPZYTSUBCBJGJB-CYBMUJFWSA-N 338.411 4.230 0 50 EIAA CCOc1ccccc1N1CCN(c2nccc3ccsc23)CC1 328590348 DHRQZRAMUNECGY-UHFFFAOYSA-N 339.464 4.022 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2cccs2)cc1 426396068 YOHZWTHWORLLCB-KRWDZBQOSA-N 329.465 4.446 0 50 EIAA CCOc1c(CN(C)C(=O)N[C@@H](C)c2cccs2)cccc1OC 426642907 NXLGNVQLZNXYHQ-ZDUSSCGKSA-N 348.468 4.058 0 50 EIAA C[C@H](c1ccc(-c2ncc(C(=O)O)cc2Cl)cc1)N1CCCC1 534669300 ZHYJAWFKVDLUNS-GFCCVEGCSA-N 330.815 4.257 0 50 EIAA Cc1nc(C)c(C(=O)N[C@H](C)c2cc(Cl)cc(Cl)c2F)o1 830382064 YMYJQZNIDXXVQF-ZCFIWIBFSA-N 331.174 4.228 0 50 EIAA CC(=O)c1cc(CN2CCCC[C@@H]2CCc2cccs2)n(C)c1 952868610 BOPWVMYJGHSTSN-QGZVFWFLSA-N 330.497 4.277 0 50 EIAA CCOC[C@@H]1CCCN1C(=O)C1(Nc2ccc(C)cc2)CCCCC1 1506397709 WSKOJFPGEMVQGL-IBGZPJMESA-N 344.499 4.137 0 50 EIAA CC1=CC2(CCN(C(=O)[C@H](C)Sc3ccc(C)cc3)CC2)OCC1 1704300871 YVKIOKBCVSGRBA-KRWDZBQOSA-N 345.508 4.203 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3c(Cl)ccc(C)c3F)C[C@@H]21 1704342242 LATCNIJIGQWAMP-QIIPPGSGSA-N 325.855 4.161 0 50 EIAA CN1CC[C@@H](n2ccnc2-c2ccc(OCCc3ccccc3)cc2)C1 1857731228 CYVROARVUFLTSJ-HXUWFJFHSA-N 347.462 4.048 0 50 EIAA Fc1ccc(NCc2cc3c(cc2Br)OCO3)c(F)c1 41130 JDCNOOMHGRFWSY-UHFFFAOYSA-N 342.139 4.068 0 50 EIAA C[C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 132346 MYWVLJZHGIYJKO-CQSZACIVSA-N 338.476 4.216 0 50 EIAA Cc1nc2ccccc2c2c1C[C@H]([C@@](C)(Cl)Br)O2 436227 HIELOUZGQULWCY-TZMCWYRMSA-N 326.621 4.197 0 50 EIAA Cc1c(C)c(C)c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(C)c1C 437038 INZQJSGYYNTJNH-UHFFFAOYSA-N 344.842 4.233 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)COc1cc(C)cc(C)c1 467038 UFORSPHLHMXDJJ-UHFFFAOYSA-N 340.423 4.060 0 50 EIAA O=C(Nc1ccc(C(F)(F)F)cc1Br)c1ccco1 2862882 IQSCHNFBTWNPFF-UHFFFAOYSA-N 334.091 4.313 0 50 EIAA Cc1ccc2oc(C(=O)Nc3nnc(CC(C)C)s3)c(C)c2c1 4185898 PYYGHAHFWRGPJQ-UHFFFAOYSA-N 329.425 4.352 0 50 EIAA CCCCc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1 6714797 XZLAHDJFNMNEPR-UHFFFAOYSA-N 337.467 4.383 0 50 EIAA c1ccc(Cc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393168 KCBNFTPQLRKFQR-UHFFFAOYSA-N 338.461 4.069 0 50 EIAA Cc1nc([C@H](C)N(C)Cc2cc(-c3ccccn3)no2)c(C)s1 77298795 GSXJYKGZBNNPRL-NSHDSACASA-N 328.441 4.003 0 50 EIAA Fc1ccc(-c2n[nH]cc2CN2CC[C@H]2c2ccc(F)cc2)cc1 97729516 NPTQMTIQEHHWGJ-SFHVURJKSA-N 325.362 4.302 0 50 EIAA Cc1ccc2[nH]cc(CCC(=O)Nc3cnn([C@@H](C)C4CC4)c3)c2c1 186426267 PQSCGZQKKQRZAK-AWEZNQCLSA-N 336.439 4.215 0 50 EIAA OC[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1c1ccsc1 188076983 SNOFZBZCEZKFEW-RDJZCZTQSA-N 329.490 4.171 0 50 EIAA O=C(C[C@H]1CCCOC1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 193679534 JAJHHBWXKPDSJD-KNQAVFIVSA-N 349.474 4.172 0 50 EIAA C1=C[C@@H]2[C@@H](C1)[C@@H]1C[C@@H]2[C@H](OCCO[C@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@@H]23)C1 253596305 PSUKSRYRAXNSIY-GJQNZDIXSA-N 326.480 4.221 0 50 EIAA Brc1ccccc1OCCCCCNCc1ccccn1 261508126 PXOXXHAZBNUNOE-UHFFFAOYSA-N 349.272 4.183 0 50 EIAA CN(Cc1ccccn1)[C@@H]1CCCN(Cc2cccc3[nH]ccc23)CC1 275824828 VAQKXHOBQYXVGS-HXUWFJFHSA-N 348.494 4.049 0 50 EIAA CC[C@H](NC(=O)c1ccc(-c2c(C)n[nH]c2C)cc1)c1ncccc1C 426411265 HPEYKGYJCTYBRE-SFHVURJKSA-N 348.450 4.278 0 50 EIAA Cc1nnc([C@H]2CCCN(Cc3ccccc3C(F)(F)F)[C@H]2C)o1 886096366 CHCAZRCUPJCBDL-FZMZJTMJSA-N 339.361 4.165 0 50 EIAA COc1cc(C(=O)N[C@@]2(C)CC[C@H](C)C2)ccc1OC1CCCC1 1875356180 IIUGQQFTGVQURN-XOBRGWDASA-N 331.456 4.325 0 50 EIAA Oc1cc([C@H]2CCCN(Cc3ccc(Cl)c4ccccc34)C2)[nH]n1 2325858490 PLRAQSNXSMPRLX-AWEZNQCLSA-N 341.842 4.302 0 50 EIAA Cc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)no1 375904 QHNGSCPYIGFUDA-UHFFFAOYSA-N 332.743 4.061 0 50 EIAA Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccnc3)ccc12 1081562 GMCNKDLSAYYUFQ-UHFFFAOYSA-N 349.390 4.311 0 50 EIAA O=C1c2ccccc2SCC12COC(c1ccc(Cl)cc1)OC2 1391203 YXIFWZVJXKYRBE-UHFFFAOYSA-N 346.835 4.360 0 50 EIAA CCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2755652 BAMXRWOQKSWNDY-UHFFFAOYSA-N 348.402 4.160 0 50 EIAA Cc1ccc2cccc(OS(=O)(=O)c3cc(Cl)ccc3C)c2n1 2978473 MQBAQBJLYQZSQT-UHFFFAOYSA-N 347.823 4.273 0 50 EIAA O=C(Nc1ccsc1C(=O)O)c1cccc(Oc2ccccc2)c1 4105325 ZGJBKTLOTKCFTO-UHFFFAOYSA-N 339.372 4.491 0 50 EIAA C[C@H](Oc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1 4539387 LZIRRUQYBGTFJI-AWEZNQCLSA-N 338.432 4.140 0 50 EIAA CCn1c(SCC(=O)Nc2ccccc2C)nc2ccccc21 6700576 HTMVNDGQPGIPNV-UHFFFAOYSA-N 325.437 4.095 0 50 EIAA Cc1cc(C)c(N2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1 6700692 IJWSYISYLLEZKW-UHFFFAOYSA-N 342.870 4.228 0 50 EIAA Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C)n1 6816321 WGVOODLEDWITCY-UHFFFAOYSA-N 349.459 4.491 0 50 EIAA O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1ccc(F)cc1 6925931 KXFLXMKGVADAMS-UHFFFAOYSA-N 338.304 4.287 0 50 EIAA O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 10336539 ZFPAFHXIGQPFFG-UHFFFAOYSA-N 342.870 4.256 0 50 EIAA CCCC(=O)Nc1ccc(NC(=O)COc2cc(C)ccc2C)cc1 12404183 UQCIJOYBSCXRBI-UHFFFAOYSA-N 340.423 4.060 0 50 EIAA Cc1c(CN2CCc3c([nH]c4ccccc34)[C@@H]2CC(C)C)cnn1C 12454023 OPRFYATWUYOCJC-FQEVSTJZSA-N 336.483 4.355 0 50 EIAA COc1cccc(CN2CCN(Cc3cccc4ccccc34)CC2)c1 19366697 YVUAGUHPSNOCLJ-UHFFFAOYSA-N 346.474 4.166 0 50 EIAA Cn1ncc2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc21 20604997 GWPVZYZMHOWSEU-UHFFFAOYSA-N 343.255 4.256 0 50 EIAA COc1cccnc1-c1cccc(-c2ccn(Cc3cscn3)n2)c1 20910361 WFMXKLIZWYXQCX-UHFFFAOYSA-N 348.431 4.126 0 50 EIAA Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1C 44856397 GHUNDMFORQYXGM-GOSISDBHSA-N 336.479 4.390 0 50 EIAA CCCCOc1c(OC)cccc1[C@@H]1C[C@H](NC(C)=O)C[C@H](CC)O1 65375030 VQRXDJFFMQRPMT-GJYPPUQNSA-N 349.471 4.009 0 50 EIAA Cc1csc([C@@H](C)n2ccnc2-c2ccc(-c3cc[nH]n3)s2)n1 71498242 NUVOUFBWXUOUBA-LLVKDONJSA-N 341.465 4.376 0 50 EIAA CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n(C)n1 77565560 BCWOEDMZIQMFKC-GOSISDBHSA-N 343.446 4.125 0 50 EIAA CCN(Cc1ccc(SC)cc1)C(=O)c1cc(CC(C)C)nn1C 91860352 ATQHTPSTZCROJA-UHFFFAOYSA-N 345.512 4.003 0 50 EIAA O=C(Nc1cccc2[nH]ccc12)N(CCCO)[C@H]1CCc2ccccc21 126230823 SREPJRNGZQSXBB-FQEVSTJZSA-N 349.434 4.072 0 50 EIAA CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cnc(C(C)C)s1 131195988 YNTSQDCLAYEHPT-UHFFFAOYSA-N 337.832 4.131 0 50 EIAA CC(C)C[C@H](N)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 170677570 NXUZUKMPUTZNSE-KXBFYZLASA-N 326.440 4.030 0 50 EIAA COC[C@H](C)Oc1ccc(Cl)cc1NCc1cnc(C)s1 189684222 KDNIVSVKVSZYFR-JTQLQIEISA-N 326.849 4.131 0 50 EIAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 239248002 XVOWXCZBOOULSU-YXUGBTPSSA-N 333.387 4.014 0 50 EIAA CCc1cc(Br)c(OC(F)F)c(Br)c1 306604453 ODJKJVWAVMAAFN-UHFFFAOYSA-N 329.966 4.375 0 50 EIAA CC[C@H](C)[C@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 409414920 ZCDPBUSYYQJXGD-GUYCJALGSA-N 328.460 4.282 0 50 EIAA COc1cc(C)c(-c2ccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)cc2)cn1 584892764 DOGBXVVTEXTLEN-KDURUIRLSA-N 348.446 4.104 0 50 EIAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Cl)n1 669371081 YAOIKNCWMQZUKS-UHFFFAOYSA-N 328.796 4.412 0 50 EIAA CCc1cc2c(-c3ccccc3)cc(=O)oc2c(-c2ccn(C)n2)c1O 823508217 PMYRIWVBKZLRBO-UHFFFAOYSA-N 346.386 4.129 0 50 EIAA CC(C)Cc1nc(C(=O)N(c2nc3ccccc3o2)C2CC2)cs1 905872062 OUCQWSWHJKMPRZ-UHFFFAOYSA-N 341.436 4.292 0 50 EIAA CCC(F)(F)CCSc1nnc(COc2cccc(C)c2)o1 1775993482 ZSWNKDOBKYSMDK-UHFFFAOYSA-N 328.384 4.485 0 50 EIAA Cc1ccc(-c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)no2)cc1 1857799493 GOCKDXBVQKYUIN-UHFFFAOYSA-N 332.281 4.320 0 50 EIAA N[C@@H]1CCCc2cc(-c3nc(-c4coc5ccccc45)no3)ccc21 2325822004 VLFFDXRDEQAFBX-QGZVFWFLSA-N 331.375 4.486 0 50 EIAA CC[C@H](C)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1 859899 PEAWJTZAACQMFH-AWEZNQCLSA-N 327.424 4.399 0 50 EIAA COc1ccc(NC(=O)CSc2nc(C(C)(C)C)cs2)cc1 1049646 IUPIMDWBFUEGLH-UHFFFAOYSA-N 336.482 4.180 0 50 EIAA COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 1389615 XSNYTNGHRIOWMN-UHFFFAOYSA-N 326.783 4.288 0 50 EIAA C[C@@H]1CCCN(CCCCOc2cccc(Br)c2)C1 2822894 VDONTZRAAXPZEC-CQSZACIVSA-N 326.278 4.340 0 50 EIAA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 4834409 ORWSNLDVZRVOAX-PSLIRLAXSA-N 338.190 4.160 0 50 EIAA CCCSc1nc2ccccc2c(=O)n1[C@H]1CCOC(C)(C)C1 4838116 BUGAKGBHTFSXRR-ZDUSSCGKSA-N 332.469 4.029 0 50 EIAA Cc1ccc(-c2noc(CN(C(=O)c3cccc(C)c3)C(C)C)n2)cc1 4850831 PYYSMWPHYQOSOM-UHFFFAOYSA-N 349.434 4.404 0 50 EIAA O=C1CCCC[C@]1(C/C=C/c1ccccc1)n1nc2ccccc2n1 6594512 IQEYIOLAVACVOR-OGECGYFKSA-N 331.419 4.373 0 50 EIAA Cc1cc(C)nc(NC(=O)/C=C/c2ccc(Br)cc2)c1 8548801 FOKQXAJZJZLYHF-VMPITWQZSA-N 331.213 4.113 0 50 EIAA CCCCc1c(C)nc2ccc(OC)cc2c1SCCC(=O)O 8578296 RPDHNUUAKBIXNV-UHFFFAOYSA-N 333.453 4.461 0 50 EIAA c1ccc2c(CN3CC[C@]4(CCCN(CC5CCC5)C4)C3)ccnc2c1 11817408 AFCZXJWYBNYVIN-QHCPKHFHSA-N 349.522 4.323 0 50 EIAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C(C)(C)C)on1 12380768 KOQYUCISYQXPHW-VIFPVBQESA-N 340.782 4.171 0 50 EIAA OC[C@]1(CCc2ccccc2)CCCN(CCCc2ccccc2)C1 12429720 ZMKGJJVJAOEAJN-QHCPKHFHSA-N 337.507 4.327 0 50 EIAA CC(=O)c1cc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)cs1 12713838 MJFYAIRIZLFYBP-QGZVFWFLSA-N 332.444 4.166 0 50 EIAA O=C(Nc1ccccc1Oc1ccsc1C(=O)O)c1ccccc1 12959538 KHPISZCCUOBIDU-UHFFFAOYSA-N 339.372 4.491 0 50 EIAA O=C(NCc1cccnc1)Nc1cc(C(F)(F)F)ccc1Cl 13227829 WLVJQKIUSZBWGF-UHFFFAOYSA-N 329.709 4.076 0 50 EIAA CC(C)Cc1cn[nH]c1[C@H]1CCCN(Cc2c(F)cccc2F)C1 19609099 JRHYYUJFSBNERP-AWEZNQCLSA-N 333.426 4.266 0 50 EIAA Cc1nc2nc(-c3ccccc3)nn2c(Sc2ccc(N)cc2)c1C 21663222 VTJRXZFGGHVHHR-UHFFFAOYSA-N 347.447 4.142 0 50 EIAA CN(Cc1ccccn1)C(=O)C[C@H](c1ccccc1)c1ccc(F)cc1 55414533 NNNXLOWFRPGTRP-OAQYLSRUSA-N 348.421 4.401 0 50 EIAA O=C(C1=Cc2ccccc2OC=C1)N1CCCC[C@H]1c1ccccn1 72462631 ZJBHZYGCUSYARL-IBGZPJMESA-N 332.403 4.125 0 50 EIAA C[C@H](C(=O)N[C@H](C)c1nc(C2CCCCC2)no1)c1ccccc1 127282070 WXDFZQKTGAJHSV-UONOGXRCSA-N 327.428 4.098 0 50 EIAA O=C(c1cccc2c1OCO2)N(CC1CCCCC1)c1ccccn1 157605636 DTLXXGDTLNQZEW-UHFFFAOYSA-N 338.407 4.037 0 50 EIAA CCc1ccc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)o1 170615598 QQLWKNCJAAHNMZ-HNNXBMFYSA-N 326.440 4.469 0 50 EIAA COc1ccc2cc(CNC[C@@H](c3ccnn3C)C(C)C)ccc2c1 252509011 YAUMRZDCGGOHPU-HXUWFJFHSA-N 337.467 4.111 0 50 EIAA Cc1n[nH]cc1CN[C@@H]1CCCCc2cc(Br)ccc21 338776702 LVCKZHPICOQUDR-MRXNPFEDSA-N 334.261 4.038 0 50 EIAA CSCc1cccnc1C(=O)Nc1cccc(-c2ncco2)c1C 359142574 WYYZYGRGQBUWCK-UHFFFAOYSA-N 339.420 4.160 0 50 EIAA O=C(O)c1cc2cc(NC(=O)c3sccc3C3CC3)ccc2o1 440005475 PKIYICPHZBPMBL-UHFFFAOYSA-N 327.361 4.322 0 50 EIAA Cc1cc(NC(=O)c2scc(C)c2Cl)n(-c2ccccc2)n1 477894916 WONQPXUUIFHDQJ-UHFFFAOYSA-N 331.828 4.456 0 50 EIAA COCC1(C2CCC2)CN(C(=O)Nc2cccc(C(C)(F)F)c2)C1 666827516 YLOAYINEIPSYMY-UHFFFAOYSA-N 338.398 4.079 0 50 EIAA CCc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)s1 952980042 TUGPAQSWISWHNT-ZDUSSCGKSA-N 331.437 4.121 0 50 EIAA Cc1cccc(C[C@@H](C)NC2CCN(c3ccc(F)cc3C)CC2)n1 1506405162 CKNKVKURAMVJAI-QGZVFWFLSA-N 341.474 4.027 0 50 EIAA O=C(c1cccnc1-c1cnc2cccc(F)c2c1)N1CCCCC1 1857714521 CINXXXJSGCWICN-UHFFFAOYSA-N 335.382 4.062 0 50 EIAA O=C(O)c1cc(-c2cc(C(F)(F)F)cc(F)c2C(=O)O)ccc1F 1875334712 ANJSZAQDAZZIDY-UHFFFAOYSA-N 346.207 4.047 0 50 EIAA Fc1cc(CNc2ccc(C3=CCNCC3)cc2)ccc1-n1cccn1 2325860128 YKYAYXKAPHHJJJ-UHFFFAOYSA-N 348.425 4.000 0 50 EIAA O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21 6094 AAALVYBICLMAMA-UHFFFAOYSA-N 329.359 4.057 0 50 EIAA investigational Fc1ccccc1OCc1nc(-c2ccc(Br)cc2)no1 1059568 MWYWJMPEROAFLV-UHFFFAOYSA-N 349.159 4.217 0 50 EIAA CC1=CC(C)(C)N2C(=O)[C@@]3(Nc4ccccc4CO3)c3cc(C)cc1c32 1063118 OXBAXDSHHKIODY-JOCHJYFZSA-N 346.430 4.332 0 50 EIAA CCCC(=O)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 2701996 ATOJWCANZMSLDN-NSHDSACASA-N 345.053 4.331 0 50 EIAA CCn1nc(C)c2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc21 2732689 LTMNHIDJDPITJU-UHFFFAOYSA-N 331.322 4.093 0 50 EIAA COc1cc(OC)cc(C(=O)OCc2ccc(Cl)cc2Cl)c1 4543088 LVYDNXVQPHHRTD-UHFFFAOYSA-N 341.190 4.368 0 50 EIAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 4839861 ZMTATFRVBYWISR-CYBMUJFWSA-N 328.437 4.073 0 50 EIAA COc1ccc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc1 5730237 ABSZBDPTIBFIGX-UHFFFAOYSA-N 331.375 4.285 0 50 EIAA aggregator Cc1ccc2c(C)c(C(=O)N(C)CC[C@H]3CCCCO3)oc2c1C 12476946 XWSWIKGEFDMAIP-MRXNPFEDSA-N 329.440 4.389 0 50 EIAA Cc1ccc([C@H](C)NCC(=O)N[C@H](C)c2ccc(C)cc2C)c(C)c1 13323147 KXGBTFHDEVFSQZ-RBUKOAKNSA-N 338.495 4.448 0 50 EIAA CN(Cc1cccs1)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 15007722 LLSCONKCHMITNR-QGZVFWFLSA-N 334.529 4.141 0 50 EIAA CCc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cs1 16605768 NIOKBNYXFIDJQP-UHFFFAOYSA-N 342.464 4.189 0 50 EIAA CCC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 18134836 QNNFAFUBOYAIDN-IBGZPJMESA-N 336.435 4.085 0 50 EIAA COc1ccc(OC)c2c(C)cc(NCCc3ccc(F)cc3)nc12 23634109 DLTSTIIDIVMFFY-UHFFFAOYSA-N 340.398 4.354 0 50 EIAA CCc1onc(C)c1[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 33086827 VJBPFXDNOAFDSD-JRQWYPPZSA-N 342.483 4.425 0 50 EIAA CC(C)CN(Cc1cnn(C)c1)Cc1nc2ccccc2n1C(C)C 55386224 NKWOMWHTUMYOQT-UHFFFAOYSA-N 339.487 4.009 0 50 EIAA Cc1noc2ccc([C@H]3CC(=O)Nc4n[nH]c(-c5ccccc5)c43)cc12 65420040 OFZFEKNBGHGSFD-OAHLLOKOSA-N 344.374 4.000 0 50 EIAA O=C1CC[C@]2(CCCO2)CCN1Cc1ccccc1-c1ccccc1 71404081 GXZYXRDZMFPOFZ-JOCHJYFZSA-N 335.447 4.415 0 50 EIAA COc1cc(OC)c(CN2CCCCC[C@H]2c2ccco2)c(OC)c1 72135331 OQFCYEJTGYWOPS-KRWDZBQOSA-N 345.439 4.423 0 50 EIAA COc1ccccc1-c1ncc(Cn2ccnc2-c2ccncc2)s1 77286391 BPLJVVOFUMLXAL-UHFFFAOYSA-N 348.431 4.126 0 50 EIAA CCc1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)cn1 77339332 HHGMHSWKKLOYML-UHFFFAOYSA-N 347.418 4.104 0 50 EIAA c1ccc(C2(c3ccccc3)CCCN(CCc3cn[nH]c3)C2)cc1 95511277 QOZLNLQAZBJXEX-UHFFFAOYSA-N 331.463 4.034 0 50 EIAA CN(Cc1cc(-c2ccncc2)no1)c1ncc(Cl)cc1Cl 96149622 ONMORQBIXPHAOV-UHFFFAOYSA-N 335.194 4.075 0 50 EIAA CC(C)(C)n1cc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)cn1 136531441 OLOQHNVSMZJUIM-UHFFFAOYSA-N 344.418 4.209 0 50 EIAA CC[C@H](C)Oc1cc(C(=O)N2CC[C@H](C)c3cccc(O)c32)ccn1 186310221 BZQFGNJQXVEMQC-KBPBESRZSA-N 340.423 4.119 0 50 EIAA CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)Cc1cccs1 252494122 NLUJNLFVPNMHII-LBPRGKRZSA-N 337.872 4.090 0 50 EIAA Clc1ccc(-c2ncc(CN[C@H]3CCCc4cn[nH]c43)s2)cc1 284036979 RMVGYAMMAZAANI-HNNXBMFYSA-N 344.871 4.354 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F 291725285 KKZOQIFYPLZONA-YPMHNXCESA-N 346.397 4.128 0 50 EIAA Oc1cc(Br)ccc1-c1ccnn1-c1ccc(F)cc1 328578960 BVNTZPDUTPYKDE-UHFFFAOYSA-N 333.160 4.147 0 50 EIAA Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 329498441 FKPOFNQXPDRTNG-CJNGLKHVSA-N 341.455 4.332 0 50 EIAA C1CC[C@H]2[C@@H](c3nc([C@H]4CN5CCCC[C@@H]5CO4)no3)CCC[C@H]2C1 329638551 YUNKDNANHSCCNZ-HSFUPAIVSA-N 345.487 4.069 0 50 EIAA Cc1[nH]nc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]1C2 409413567 GHWUZZCCPXLMSI-SBMNMINASA-N 328.500 4.135 0 50 EIAA CCC(CC)NC(=O)N(Cc1ccc(OC)cc1OC)C1CCCC1 426541409 NUVBTXIWNOOOPS-UHFFFAOYSA-N 348.487 4.347 0 50 EIAA CCCCc1nc(COc2ccc([C@H]3CCC(=O)N3)cc2)cs1 902785283 QDBTVPOUMYOMFX-MRXNPFEDSA-N 330.453 4.016 0 50 EIAA C[C@@H](c1ccccn1)N(C)C1CCN(c2cccc(Cl)c2)CC1 952970659 FDFVIWSPNJQZHY-HNNXBMFYSA-N 329.875 4.397 0 50 EIAA CC[C@H](NC1CCN(c2ccc(C)c(Cl)c2)CC1)c1ccnn1C 1506410017 CHAOQFLCWWLRTM-SFHVURJKSA-N 346.906 4.092 0 50 EIAA CCN1CCC[C@@H](n2ccnc2-c2ccc3cc(Cl)ccc3n2)C1 1857678036 REORZYVKSXIKBU-MRXNPFEDSA-N 340.858 4.409 0 50 EIAA CC(C)(C)c1cc(=NC(=O)C2(c3ccc(Cl)cc3)CCC2)[nH]o1 1875250932 CXGIKNZTINWILR-UHFFFAOYSA-N 332.831 4.108 0 50 EIAA CC[C@@H]1C[C@]1(NC(=O)CCSc1ccccn1)c1cccc(C)c1 1875322121 IZEXDSJNLNEEMK-OXQOHEQNSA-N 340.492 4.314 0 50 EIAA Cc1nc(C)c2c(C)c(-c3nc(-c4cccs4)no3)sc2n1 2325725957 UFFDARZIJXLNQF-UHFFFAOYSA-N 328.422 4.395 0 50 EIAA O=C(Nc1cccc(Cl)n1)c1cccnc1SCC(F)(F)F 2325747081 FBESRSCRCARFPT-UHFFFAOYSA-N 347.749 4.037 0 50 EIAA C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 351889 ZQIYXRXFRWIRJA-SNVBAGLBSA-N 327.277 4.251 0 50 EIAA CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2C)c(C)c1 364790 URXIYSPQMMJJND-UHFFFAOYSA-N 340.467 4.476 0 50 EIAA O=C(CCCc1ccccc1)Nc1nnc(-c2cccs2)s1 372353 BCBRYVOGJTWTMN-UHFFFAOYSA-N 329.450 4.228 0 50 EIAA Cc1nc2ccc(NC(=S)N3c4ccccc4C[C@H]3C)cc2nc1C 445681 PWLHHBDSURTHJF-GFCCVEGCSA-N 348.475 4.395 0 50 EIAA Cc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(C)(=O)=O 582038 XSBTYPGDCAJFFO-UHFFFAOYSA-N 344.263 4.268 0 50 EIAA Cc1ccc(NC(=S)NCCc2ccccc2)c(OC(F)F)c1 611536 TZNMNPVTJYJQPW-UHFFFAOYSA-N 336.407 4.126 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCCC1 614907 MIBPKOFRCFCING-INIZCTEOSA-N 329.827 4.190 0 50 EIAA CC(=O)Oc1ccccc1C(=O)OCc1c(Cl)cccc1Cl 618227 SDJKLKZIHSIPCE-UHFFFAOYSA-N 339.174 4.276 0 50 EIAA CCC(C)(C)c1ccc(OCCCCNC[C@H](C)O)c(Cl)c1 2881596 WMGBGKRBSCQQIQ-AWEZNQCLSA-N 327.896 4.157 0 50 EIAA CCSc1ccccc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 4834742 YSBRMONEYKDQHH-UHFFFAOYSA-N 347.436 4.077 0 50 EIAA CCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 6728813 URZDXZMNXGJLGB-UHFFFAOYSA-N 339.420 4.206 0 50 EIAA CCCCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 13745870 PEIWBUFHZRRZJZ-UHFFFAOYSA-N 340.442 4.131 0 50 EIAA Cc1cc([C@H]2CCCCN2Cc2cnn(-c3cccc(F)c3)c2)no1 97463647 PFWMBWUVTPFKDB-LJQANCHMSA-N 340.402 4.035 0 50 EIAA Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100648033 RXQLTHXVGBGSQG-HZVDNRATSA-N 347.414 4.323 0 50 EIAA CCN(CCc1nccs1)C(=O)[C@H](C)c1cc2ccccc2o1 131641854 MCFREOBLMGXCEE-CYBMUJFWSA-N 328.437 4.084 0 50 EIAA Cc1cc(C)cc(C2=CCN(C(=O)N[C@H]3CCOC(C)(C)C3)CC2)c1 131980761 SBRVEWGQNUSKAD-IBGZPJMESA-N 342.483 4.060 0 50 EIAA Cc1cc(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)on1 170605134 GFMRQIKTVYGTMT-UHFFFAOYSA-N 326.440 4.132 0 50 EIAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cn1 189730665 QXKVSEPOTSZVQV-NZVBXONLSA-N 335.234 4.369 0 50 EIAA CN(CC(=O)N(C)[C@H]1CCCc2ccccc21)[C@H]1CCc2ccccc21 241326119 LZKDECIYLKGNLC-VXKWHMMOSA-N 348.490 4.142 0 50 EIAA Cc1cc([C@@H](C)NC(=O)c2cnc(O)c3ccccc23)c(C)s1 242273551 YDQURILSMZKOBT-LLVKDONJSA-N 326.421 4.110 0 50 EIAA Cc1cc([C@H](C)NCc2ccnc(Oc3ccccc3F)c2)no1 252482957 DRDAOKGHOKMCPN-ZDUSSCGKSA-N 327.359 4.160 0 50 EIAA Cc1ccsc1-c1cccc(C(=O)N(C)CC2(CO)CCCC2)c1 299767858 WLRKALAWDRNYFQ-UHFFFAOYSA-N 343.492 4.348 0 50 EIAA O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)[C@@H]1CCC[C@H]2CCCC[C@H]21 333955375 GBRNSSLBHVHINE-HGJKNBTDSA-N 342.483 4.024 0 50 EIAA CC(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c(C)nc1C 362419630 CRMWCLJHCLOSIN-FKIZINRSSA-N 336.435 4.269 0 50 EIAA COc1cc2c(c(C(=O)OCCC3C[C@H](C)C[C@@H](C)C3)c1)OCC2 1875357295 ADGPKTATDBHCII-ZIAGYGMSSA-N 332.440 4.249 0 50 EIAA COc1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1F 2325704975 DDJAHXUIJSGROB-UHFFFAOYSA-N 335.791 4.172 0 50 EIAA CCOc1ccccc1C(=O)Nc1cc(Cl)c(OC)cc1OC 467051 PHGFTQWRCVFLLO-UHFFFAOYSA-N 335.787 4.008 0 50 EIAA O=C(Nc1ccc(F)cc1F)OCCOc1ccc(Cl)cc1 2165572 OWDVLNHXYBXICD-UHFFFAOYSA-N 327.714 4.246 0 50 EIAA COc1ccccc1OCCOCCOc1cccc(C(C)C)c1 2985440 YTWFNWVCDAONAE-UHFFFAOYSA-N 330.424 4.293 0 50 EIAA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccccc2)C1 5902090 FGLIWMCLJNZMBF-CQSZACIVSA-N 342.508 4.411 0 50 EIAA CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(SC)c1 8479274 OMJVHAMQVFYGMZ-OAHLLOKOSA-N 331.437 4.213 0 50 EIAA CCCSc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1 9426675 FWADGMLWGPNSJA-UHFFFAOYSA-N 328.437 4.399 0 50 EIAA Cc1ccccc1[C@@H](CC(=O)NCCc1ccncc1)c1ccccc1 11753552 TYJWDNCLJMELOG-QFIPXVFZSA-N 344.458 4.271 0 50 EIAA Cc1[nH]c2c(F)cccc2c1CC(=O)N(Cc1ccsc1)C1CC1 91678352 TXMUQAMFOQECDZ-UHFFFAOYSA-N 342.439 4.411 0 50 EIAA COCCC[C@H]1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 91951471 JJSLLOZCGSSFBL-CYBMUJFWSA-N 327.827 4.066 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N3CCC[C@]4(CCCO4)CC3)cc2)o1 97076252 YFESKOPTMQSUSV-NRFANRHFSA-N 339.435 4.430 0 50 EIAA O=C(c1cccc([C@@H]2CCCNC2)c1)N1CCC[C@@H]1c1ccccc1 97758051 ZRUYRBJAQNAVCP-NHCUHLMSSA-N 334.463 4.131 0 50 EIAA C[C@H](NC1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1 152466802 FKRRQIJGAKBZKD-HNNXBMFYSA-N 329.875 4.050 0 50 EIAA O=C1N[C@H]2C(c3ccccc3)=C(c3ccccc3)[C@H]3C=CC=C[C@H]2[C@@H]13 247853229 IDCLPJDWZLYUIR-JZZBYWGLSA-N 325.411 4.084 0 50 EIAA O=C(O)c1ccccc1C1CCN(C(=O)c2ccc(Cl)s2)CC1 375354403 DYAQHRJZEGKTCO-UHFFFAOYSA-N 349.839 4.120 0 50 EIAA CC(C)(C)C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 378256892 KYJROGULTDVMHH-HNNXBMFYSA-N 347.503 4.335 0 50 EIAA CC(C)c1scnc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1 493815140 FMUWSIKNYISHRQ-CMDGGOBGSA-N 338.436 4.104 0 50 EIAA Cc1noc(C)c1Cc1nc(C2CC2)nn1Cc1ccccc1Cl 670444268 CTPAOHULULZSPB-UHFFFAOYSA-N 342.830 4.053 0 50 EIAA Clc1ccc2cnc(-c3ccccc3OC[C@@H]3CCOC3)n2c1 877871942 YJHWAYVGPDXDQI-CYBMUJFWSA-N 328.799 4.070 0 50 EIAA CCCCN(Cc1ccc(C)cc1)C(=O)c1cc(Cl)cnc1O 1506422383 OMIOCMROAUQHSX-UHFFFAOYSA-N 332.831 4.192 0 50 EIAA COc1ccc2cc(COC(=O)[C@H](C)Cc3ccncc3)ccc2c1 2325855080 HBNQTEOQOJFLTF-OAHLLOKOSA-N 335.403 4.165 0 50 EIAA COc1ccc2oc(C)c(C(=O)OCc3cncc(Cl)c3)c2c1 2325855171 KUFCZCJLYPWAGD-UHFFFAOYSA-N 331.755 4.155 0 50 EIAA COC(=O)c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 138234 MAWMETKFZNVAKY-UHFFFAOYSA-N 341.190 4.368 0 50 EIAA Cc1cc(OCC(=O)N(C(C)C)C(C)C)cc(C)c1Br 311336 VQPZCFLICWEFKS-UHFFFAOYSA-N 342.277 4.090 0 50 EIAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 2734290 ONVITAMSQVADEJ-QHHAFSJGSA-N 336.174 4.374 0 50 EIAA COc1ccc(CNC(=S)Nc2ccc(Cl)cc2Cl)cc1 4616795 CRKVSLCMQXBZDY-UHFFFAOYSA-N 341.263 4.489 0 50 EIAA CCCCOC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 4844826 BGEHHSIVMHTJFD-QDHVZSLHSA-N 349.430 4.200 0 50 EIAA CCOc1cc(CN)ccc1OCc1ccc(Cl)cc1Cl 5065048 JTLRZROGMUWBAB-UHFFFAOYSA-N 326.223 4.430 0 50 EIAA Cc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c(C)c1 6700250 JUFNSLDUXNCJPU-UHFFFAOYSA-N 336.479 4.197 0 50 EIAA O=C(CCC(F)(F)F)N1CCC[C@@H](CCc2c(F)cccc2F)C1 12472923 MIZLTSFJILEVMR-LBPRGKRZSA-N 349.343 4.479 0 50 EIAA Cc1cc(C)c(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c(C)c1 21806962 HUBVUJQKSUVWCF-UHFFFAOYSA-N 345.752 4.270 0 50 EIAA CC[C@H](C(=O)NCc1ccc(-c2cccc(Cl)c2)o1)n1cccn1 91459418 XAOGQWJCIPSVRG-MRXNPFEDSA-N 343.814 4.064 0 50 EIAA Cc1ccc(NC(=O)NCCCNc2cccnc2)cc1C(C)C 96153897 ZWRAKVIZTKAIHD-UHFFFAOYSA-N 326.444 4.137 0 50 EIAA c1ccc(Cc2ccccc2NCc2noc(C3CCOCC3)n2)cc1 153414238 URBKUNZSTODMEG-UHFFFAOYSA-N 349.434 4.167 0 50 EIAA CC(C)OCc1ccc(N[C@@H](C)c2nnnn2C2CCCCC2)cc1 189793398 FCBJAGREUZMOIJ-HNNXBMFYSA-N 343.475 4.276 0 50 EIAA CCn1ccc2c(CN3CCC(O)(c4ccccc4)CC3)cccc21 219037079 JLJBYSLKPVYSSL-UHFFFAOYSA-N 334.463 4.145 0 50 EIAA Cc1noc(C)c1CNCc1ccc(OC(C)C)cc1C(F)(F)F 225534811 QNLNCFIWWCQMRL-UHFFFAOYSA-N 342.361 4.387 0 50 EIAA CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C(C)=O)c2)c(Cl)c1 225720709 VSIPUUMHJQQHRR-UHFFFAOYSA-N 344.798 4.062 0 50 EIAA C[C@]12Cc3conc3C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 245235799 NSYTUNFHWYMMHU-XJKGWNRQSA-N 329.484 4.383 0 50 EIAA biogenic C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)C1(F)F 252484223 FSBNXANLCVPOPG-DAXOMENPSA-N 345.393 4.032 0 50 EIAA c1ccc(-c2ccc(-c3noc([C@@H]4OC[C@@H]5COCC[C@H]54)n3)cc2)cc1 289786645 LOWSTUDCOHDGEC-IPMKNSEASA-N 348.402 4.128 0 50 EIAA CC[C@H](O)CN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 435708046 VTKZGTZYGQPMTK-NRFANRHFSA-N 347.458 4.182 0 50 EIAA Cc1cccc(NC(=O)c2nc(C)sc2-c2ccc(F)cc2)n1 888103975 PMIORBXDPNNORY-UHFFFAOYSA-N 327.384 4.213 0 50 EIAA CCc1c(C)noc1NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 1529189540 QVEFDFNXWHEAIZ-UHFFFAOYSA-N 325.412 4.133 0 50 EIAA O=C(Nc1ccc(Oc2nccs2)c(Cl)c1)[C@H]1CCCS1 1875262978 KDPOFKWICZQXMK-GFCCVEGCSA-N 340.857 4.423 0 50 EIAA O=C(/C=C/c1cncs1)Nc1ccc(COc2ccccc2)cc1 2325748978 YOFOMNXMMXFZRC-ZHACJKMWSA-N 336.416 4.374 0 50 EIAA C[C@@H]1Cc2cccc(C(=O)OCc3cncc(C(C)(C)C)c3)c2O1 2325855880 SIHFCABLPLGQKL-CYBMUJFWSA-N 325.408 4.060 0 50 EIAA COC(=O)[C@H]1CC12CCN(C/C(=C\C(C)C)c1ccccc1)CC2 2356136845 MBFJJYWMJLKCGR-HJDVLLJCSA-N 327.468 4.001 0 50 EIAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2 267637 GJSNJWXRUSEVIC-UHFFFAOYSA-N 347.370 4.247 0 50 EIAA O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccncc3)nc2c1 277289 QSSYRORXXFTVFI-GQCTYLIASA-N 331.331 4.135 0 50 EIAA COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 352750 QHHDYPYDVOOPPP-ZWKOTPCHSA-N 335.831 4.073 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)c1ccccc1Br 366740 OGSZPOQVIGFCJT-UHFFFAOYSA-N 337.242 4.037 0 50 EIAA C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2ccncc2)no1 621217 MGUPYAAEVVEMAO-SNVBAGLBSA-N 346.184 4.034 0 50 EIAA O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 781732 UNKMZKKOBVMCDR-UHFFFAOYSA-N 334.375 4.103 0 50 EIAA O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc12)N1CCCC1 1074118 PHTREAFAPQEFAU-UHFFFAOYSA-N 337.810 4.186 0 50 EIAA O=C1O[C@H](COc2ccccc2)CN1c1ccc(Cl)c(Cl)c1 4005827 NFFGDXKXOVFESX-ZDUSSCGKSA-N 338.190 4.398 0 50 EIAA O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 4603736 YWVGNOFKRNJGCS-UHFFFAOYSA-N 341.476 4.087 0 50 EIAA O=S(=O)(Cc1ccccc1Cl)Nc1ccc(F)c(Cl)c1 4814463 AGINNYOJNFCYQG-UHFFFAOYSA-N 334.199 4.074 0 50 EIAA N=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)S1 5102120 BGAVGVCAPLAZOU-XFFZJAGNSA-N 336.825 4.223 0 50 EIAA O=C(c1cccc2ccccc12)[C@@H]1CCCN(C(=O)c2ccco2)C1 11815895 HJWSRLACWQOVLM-MRXNPFEDSA-N 333.387 4.168 0 50 EIAA COc1ccc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1 11933262 QHNDYILRHJRKBR-KRWDZBQOSA-N 343.854 4.444 0 50 EIAA CC(C)Cc1cn[nH]c1[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19782214 FIDUAGYGRUSWBF-HNNXBMFYSA-N 333.426 4.266 0 50 EIAA CCn1nccc1[C@@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 21791791 XMLZQGDCWKZURZ-AWEZNQCLSA-N 336.798 4.065 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N(C)CCC[C@@H]3CCCO3)c2c1 77378808 YNZSWPFARLZNNT-QGZVFWFLSA-N 340.467 4.137 0 50 EIAA O=C1C[C@](O)(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 101020457 KAEAITWIXLBOTC-ZLNRFVROSA-N 328.411 4.415 0 50 EIAA CC(C)(C)CPc1nc2ccccc2nc1PCC(C)(C)C 117714991 NHZLNQGVNPTDSL-UHFFFAOYSA-N 334.384 4.330 0 50 EIAA O=C(Nc1ccc(CO)c(Cl)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 170083305 BPLIEVNMYHWMFG-HUUCEWRRSA-N 336.218 4.228 0 50 EIAA COc1cccc2cc(C(=O)NCCc3cc4ccccc4o3)oc12 170635387 YZAYMGNCDCIFDQ-UHFFFAOYSA-N 335.359 4.160 0 50 EIAA CCS[C@@H]1CCC[C@H](NC(=O)NCc2nc3ccccc3s2)C1 175500667 KZEHHHWZGLEMNH-QWHCGFSZSA-N 349.525 4.160 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(-c2ncc[nH]2)c1 190290178 BPUGVYWRJZAZQH-UHFFFAOYSA-N 338.436 4.046 0 50 EIAA O=C(NC[C@@H]1CCCN1)c1cccc(-c2cccc(Cl)c2Cl)c1 426515785 UPPHYGWSVUFWLZ-AWEZNQCLSA-N 349.261 4.142 0 50 EIAA CCCCN(Cc1ccco1)C(=O)c1ccc(-c2nccn2C)cc1 426640325 BBIUORMUAQOPCL-UHFFFAOYSA-N 337.423 4.123 0 50 EIAA CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1 461245128 KRKIULWAKBKLKZ-INIZCTEOSA-N 341.430 4.036 0 50 EIAA CC[C@H]1C=CCN1C(=O)c1cccc(-c2nn(C)c3cccc(C)c23)c1 534643987 BOWNNHUAHXPPGH-SFHVURJKSA-N 345.446 4.339 0 50 EIAA CC(F)(F)c1cccc(NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 666826988 IJKBNCHWSMZDHS-IXDOHACOSA-N 346.352 4.397 0 50 EIAA Cc1cc(Cc2nc(C3(c4cccc(Cl)c4)CCC3)no2)no1 904150148 MDHGRTQOEFHYPW-UHFFFAOYSA-N 329.787 4.080 0 50 EIAA O=C(Nc1nc(-c2cccs2)n[nH]1)c1cc(C2CC2)oc1C1CC1 931797509 VRKBRUUFGHAYNR-UHFFFAOYSA-N 340.408 4.133 0 50 EIAA Cc1c(NC(=O)c2ccnc(-c3ccco3)c2)cnn1C1CCCC1 935670741 IXPRSWOLKFSCTJ-UHFFFAOYSA-N 336.395 4.214 0 50 EIAA Cc1cscc1NC(=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1 1350060848 BWJAMVNEBNSPIR-CQSZACIVSA-N 346.500 4.420 0 50 EIAA CC(C)[C@H]1CN(C(=O)Nc2ccnn2[C@H]2CC2(F)F)c2ccccc21 1875407853 IZRCBCBPRHUBDZ-HIFRSBDPSA-N 346.381 4.255 0 50 EIAA Cc1ccc2n[nH]cc2c1C(=O)OCc1cccc(OCC2CC2)c1 2325855265 PDGGYXBAEUFRAP-UHFFFAOYSA-N 336.391 4.017 0 50 EIAA O=C(NC1CCC(F)(F)CC1)c1cncc(-c2ccc(F)cc2)c1 2325864973 HTBBASDONYBVJT-UHFFFAOYSA-N 334.341 4.195 0 50 EIAA COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC 113405 XCRGIXLYEFBHFN-RUDMXATFSA-N 347.798 4.018 0 50 EIAA O=C(O)c1cc(-c2ccc(Br)s2)nc2ccccc12 224938 USPKYPKYLWABGE-UHFFFAOYSA-N 334.194 4.424 0 50 EIAA CC(=O)Nc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 280772 QNHSIWHYHPYDSF-UHFFFAOYSA-N 338.436 4.272 0 50 EIAA COc1ccc(CNc2ccc(Br)cc2C)cc1OC 292792 AQPFFYBOIJNQQG-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA CC(C)C(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 313961 XAZORYWPDREBLV-UHFFFAOYSA-N 330.815 4.116 0 50 EIAA FC(F)(F)c1cc(-c2ccco2)nc(-n2cnc3ccccc32)n1 426684 LFVMHNASFKDHSM-UHFFFAOYSA-N 330.269 4.094 0 50 EIAA CCCc1nc2ccccc2n1C[C@@H](O)COc1cccc(Cl)c1 447233 STYWENGLCRSVLY-OAHLLOKOSA-N 344.842 4.082 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)CSc1ccccc1 472023 QDSBCPSQQQTWLW-UHFFFAOYSA-N 328.437 4.156 0 50 EIAA Cc1ccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 528263 GFCKOUQWHFUMAA-UHFFFAOYSA-N 349.434 4.404 0 50 EIAA COc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1OC 818055 IAJFNCNVJVKECD-NRFANRHFSA-N 349.434 4.465 0 50 EIAA COc1cccc(CSc2nnc(-c3ccc(C)cc3)n2C)c1 2454087 ICFJDMYCPHDZOD-UHFFFAOYSA-N 325.437 4.091 0 50 EIAA COc1cccc(OCCOCCOc2ccccc2C(C)C)c1 2984799 BKGGSNCSNDLKSS-UHFFFAOYSA-N 330.424 4.293 0 50 EIAA COc1ccc(/C=C/c2nn3c(-c4ccccc4)nnc3s2)cc1 4361472 VPAXIVMOONAONE-FMIVXFBMSA-N 334.404 4.032 0 50 EIAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)[C@@H]4CCCO4)c3)nc2c1 4512105 XQDIMWBSOSNHMU-SFHVURJKSA-N 336.391 4.229 0 50 EIAA Cc1cc2oc(=O)c3c(c2cc1OC(=O)c1cccs1)CCCC3 4749301 FAZCFWLSXOQRIV-UHFFFAOYSA-N 340.400 4.261 0 50 EIAA Cc1cccc(-c2noc(CNC(=O)c3ccc4ccccc4c3)n2)c1 7721238 FLPOBFLJQCURAZ-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA CC1CCN(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)CC1 10460709 SILWUSAPBYXRJE-UHFFFAOYSA-N 328.456 4.078 0 50 EIAA CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 12205172 PEBXTQMMYAQOII-IBGZPJMESA-N 336.479 4.474 0 50 EIAA Cc1ccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1 18121870 VPJJWEIMUGKTIV-UHFFFAOYSA-N 328.372 4.297 0 50 EIAA Fc1cccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)c1 19370747 AAFGZFIHOJBQHN-UHFFFAOYSA-N 334.438 4.297 0 50 EIAA COc1ccc2oc(-c3ccccc3)c(Br)c(=O)c2c1 39049454 BHKMXGOQUDKUEH-UHFFFAOYSA-N 331.165 4.231 0 50 EIAA Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)c1 44905895 ANCFDGNRCWBZBB-GOSISDBHSA-N 336.479 4.390 0 50 EIAA CN(C)N1C(=O)[C@](Cc2ccccc2)(c2ccccc2)c2ccccc21 71767249 LFPJWYDSJGOBGY-HSZRJFAPSA-N 342.442 4.039 0 50 EIAA COc1cccc([C@@H]2CCN2C(=O)c2sc(C(C)C)nc2C)c1 92028867 CUEWEKSZSGGLBM-HNNXBMFYSA-N 330.453 4.171 0 50 EIAA CN(Cc1noc2c1CCCC2)C(=O)Nc1ccc(F)cc1Cl 95504428 UAANNVXQOHJGRZ-UHFFFAOYSA-N 337.782 4.010 0 50 EIAA CCCCSc1ccccc1N1CCN([C@H]2CCCC[C@@H]2O)CC1 96026567 IRNIUSIEMBTWJH-HKUYNNGSSA-N 348.556 4.004 0 50 EIAA CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccn2)n1 115030972 CEQZDSJEGHYNOO-UHFFFAOYSA-N 336.395 4.176 0 50 EIAA Cc1nnc([C@H](C)SCc2nn(-c3ccccc3)c3c2CCC3)o1 125454547 UIZGPPQNDRDBNA-LBPRGKRZSA-N 340.452 4.047 0 50 EIAA FC(F)(F)c1ccccc1[C@H](NCc1ccccn1)C(F)(F)F 183346921 XTZYTWOJEIPWMT-ZDUSSCGKSA-N 334.263 4.494 0 50 EIAA Cc1cc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c(C)s1 236634780 PFSRIMFJCBNRAD-UHFFFAOYSA-N 333.409 4.103 0 50 EIAA CC(C)c1nnc(NC(=O)C[C@H](c2ccsc2)n2cccc2)s1 263587749 KURGISGDMNUANV-CYBMUJFWSA-N 346.481 4.143 0 50 EIAA CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 334162330 MLKRJBXJLPRPMW-MRXNPFEDSA-N 339.370 4.003 0 50 EIAA CC(C)N(C(=O)c1ccccc1-c1cccc(-n2cnnc2)c1)C(C)C 426727499 NUTODBDDOXCIPB-UHFFFAOYSA-N 348.450 4.193 0 50 EIAA Cc1csc([C@@H](C)NC(=O)N[C@@]2(c3ccccc3)CC2(C)C)n1 663952366 VXGYHWQBYAUTJQ-FZKQIMNGSA-N 329.469 4.137 0 50 EIAA COc1ccc(SCCCC(=O)O[C@H](C)c2cncc(F)c2)cc1 847109710 QXXJOYQHXZTAEV-CYBMUJFWSA-N 349.427 4.406 0 50 EIAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2cccc3cccnc23)cc1 952974847 BSSOKHOFZXDCEL-CQSZACIVSA-N 345.402 4.002 0 50 EIAA Cc1ccc(CN(C)CC(=O)Nc2onc(C)c2-c2ccccc2)cc1 1529189352 NDEDIURHXPDGKH-UHFFFAOYSA-N 349.434 4.029 0 50 EIAA CC(C)C1CCC([C@@](C)(O)CNCc2ccc3c(c2)CCC3)CC1 2325842224 RRXGPHVQLGUKAB-UDJZJCJKSA-N 329.528 4.478 0 50 EIAA Cc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1C 318786 VPOCHVNRNLSMDG-UHFFFAOYSA-N 337.463 4.164 0 50 EIAA COc1ccc(CCNC(=O)c2ccccc2-c2ccccc2)cc1 618434 YPLSHPPRJBWDTC-UHFFFAOYSA-N 331.415 4.335 0 50 EIAA Cc1ccc(OCCCOc2ccc(C=O)cc2Br)cc1 2866748 ZUTNMHMRRGOUHQ-UHFFFAOYSA-N 349.224 4.418 0 50 EIAA CCOc1ccccc1NC(=O)CCCc1ccc(OC)c(C)c1 2902251 NQZIAISHXSTRGL-UHFFFAOYSA-N 327.424 4.364 0 50 EIAA C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 4073907 UJVLDDZCTMKXJK-HTCYUXSBSA-N 340.463 4.370 0 50 EIAA biogenic COC(=O)c1c(NC(=S)Nc2cccc(C)c2)sc2c1CCC2 6547292 NDFMQBRDQGAWEG-UHFFFAOYSA-N 346.477 4.141 0 50 EIAA O=C1C[C@@H](c2ccc(F)cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 8973026 NAAFELFPQNRTIC-AWEZNQCLSA-N 341.773 4.343 0 50 EIAA Cc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccco2)CC3=O)cc1 10156620 YOAXFTQCBYEIJJ-AWEZNQCLSA-N 333.391 4.343 0 50 EIAA C=Cc1ccc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1 12387273 QDQBKRZXYMJBGY-JOCHJYFZSA-N 348.490 4.109 0 50 EIAA Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)N=C2O)o1 15799719 OYNKFXBZEGBQQM-QPEQYQDCSA-N 345.401 4.282 0 50 EIAA Clc1ccc(COc2ccccc2CNc2ncn[nH]2)c(Cl)c1 18173135 CTPBCPUAQLNZMF-UHFFFAOYSA-N 349.221 4.303 0 50 EIAA O=C(O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 44224480 KVAFNOAGIQWNSJ-UHFFFAOYSA-N 348.398 4.472 0 50 EIAA CC(C)(C)OC(=O)NCCCc1ccc(Br)cc1F 95495743 UWSXRHBKODKNQK-UHFFFAOYSA-N 332.213 4.046 0 50 EIAA in-vitro O=C(Nc1ccc(Cl)nc1)c1ccnc(SCC(F)(F)F)c1 112569579 KDTDLDDWHCZLAM-UHFFFAOYSA-N 347.749 4.037 0 50 EIAA O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1 143794147 YVEFOFMETGPPRM-UHFFFAOYSA-N 341.414 4.015 0 50 EIAA COc1ccc(CN(C(=O)c2ccccc2F)c2ccncc2)cc1 151192780 PAKIJSPMPYZCOS-UHFFFAOYSA-N 336.366 4.076 0 50 EIAA Cc1[nH]c2ccc(C(=O)NCCOC3CCCCCC3)cc2c1C 170631036 GPHLKTRYEAVAOO-UHFFFAOYSA-N 328.456 4.254 0 50 EIAA Cc1ccc(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)c(C)c1 225513220 OVJWRYAHNCHFTH-UHFFFAOYSA-N 337.467 4.005 0 50 EIAA CCCCCc1nnc(NC(=O)C2(c3ccc(F)cc3)CCC2)s1 248197859 RQESSHOZQMVVFJ-UHFFFAOYSA-N 347.459 4.470 0 50 EIAA Cc1cc(C(=O)N(C)[C@H]2CCCc3cccnc32)c(C)n1C(C)C 252549423 REHBBFGXNHEYHN-SFHVURJKSA-N 325.456 4.230 0 50 EIAA Cc1oc2ccccc2c1C(=O)N1CCC(c2nccs2)CC1 253431189 OKECCAJIERROCK-UHFFFAOYSA-N 326.421 4.218 0 50 EIAA CSc1cccc(CN(C)C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 299796086 NPGCCFPJLPSIDN-CYBMUJFWSA-N 344.484 4.240 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)Nc2cc(C(C)(C)C)nn2C)c(C)s1 299799051 UIVNONMMJKRYKH-JTQLQIEISA-N 349.504 4.016 0 50 EIAA Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc4c(c3)C[C@H](C)O4)c2)n1 822512927 YRVOFPATBCAKJE-HNNXBMFYSA-N 347.418 4.065 0 50 EIAA Cc1cc(Cl)cc(-c2c[nH]c3nccc-3c2)c1OC1CCNCC1 1875329727 FXZPJNBUNMRIFF-UHFFFAOYSA-N 341.842 4.274 0 50 EIAA O=C(Nc1c[nH]nc1-c1nccs1)c1cccc2sccc12 1875332140 MJULYVWFVHPYOK-UHFFFAOYSA-N 326.406 4.000 0 50 EIAA Cc1ccc(CN(C)c2cccc(I)c2)cc1 1875355932 HBTWEHJEWVMBRT-UHFFFAOYSA-N 337.204 4.236 0 50 EIAA COc1cc(OC)c(CN[C@H]2CCCC[C@H]2C)cc1Br 183551 AREXKMGOXFFPOL-RISCZKNCSA-N 342.277 4.135 0 50 EIAA COc1ccc(CNCC2(c3ccccc3)CCCC2)cc1OC 186772 FXAMPOKEMZNGIL-UHFFFAOYSA-N 325.452 4.305 0 50 EIAA COc1cc(C)c(CN(C)CCc2ccc(OC)c(OC)c2)cc1C 272884 SJOBDGIIFFCCPD-UHFFFAOYSA-N 343.467 4.004 0 50 EIAA O=C(Nc1ccccc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 279029 UGUMFWUQQSOYGY-NBVRZTHBSA-N 348.427 4.158 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(C)c1 307541 DXKBCPYGHRLOHX-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA O=C(Cc1ccccc1)NC(=S)Nc1cccc(Cl)c1Cl 359168 XHTHIHHUEVWYAB-UHFFFAOYSA-N 339.247 4.049 0 50 EIAA O=C1N(c2cccc3ccccc23)[C@@H](c2ccccc2)N2CCCN12 382234 IRDJPCKOSDLCKU-FQEVSTJZSA-N 329.403 4.401 0 50 EIAA COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 442335 JYXVFSFNRFVQGM-CYBMUJFWSA-N 333.815 4.371 0 50 EIAA CCN(CC)c1ccc(NC(=O)c2c(OC)cccc2OC)c(C)c1 568403 IOSQXLYJVCYDKV-UHFFFAOYSA-N 342.439 4.111 0 50 EIAA CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 588421 NFJKZBDELJEFNL-AWEZNQCLSA-N 343.423 4.235 0 50 EIAA O=C(COc1ccc2ccccc2c1Br)NC1CCCC1 614115 OEYXTVFSJCCOKO-UHFFFAOYSA-N 348.240 4.040 0 50 EIAA Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2ccccc2)n1 614613 ANJOIWRLBINDGZ-UHFFFAOYSA-N 344.374 4.088 0 50 EIAA Cc1ccccc1Cn1cc(NC(=S)N[C@@H]2CCCC[C@@H]2C)cn1 2799321 DKHVMMHKFIWGCP-MAUKXSAKSA-N 342.512 4.105 0 50 EIAA Fc1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)c1 6251193 PEESARKIVRFGQX-UHFFFAOYSA-N 338.411 4.414 0 50 EIAA CCCCCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 6635284 QBSYKCTVFHCGPK-UHFFFAOYSA-N 331.441 4.237 0 50 EIAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C4CCC4)C3)C2=O)cc1 11753422 IPJZHLZIMKOWEU-JOCHJYFZSA-N 340.511 4.177 0 50 EIAA C/C(=C\c1ccccc1)CN1CCN(C/C=C/c2ccccc2)CC1 19634572 UNBNAYPWGSIPEP-FIIWLBIUSA-N 332.491 4.421 0 50 EIAA CCOc1cccc(CN[C@@H](C)c2cnc(-c3ccncc3)nc2C)c1 20406985 HSROPUUNMBYMID-HNNXBMFYSA-N 348.450 4.097 0 50 EIAA Cc1cc(C(=O)N(C)[C@H](C)c2c(C)n[nH]c2C)c2cccc(C)c2n1 55309470 CEMYNAGRSAOOHW-OAHLLOKOSA-N 336.439 4.025 0 50 EIAA COc1ccccc1NC(=O)Nc1ccc(Nc2ccc(C)nn2)cc1 65362344 LIYWJVQWKPEMAQ-UHFFFAOYSA-N 349.394 4.181 0 50 EIAA COc1ccccc1-c1ccc(N[C@@H](C)c2nc(C)cs2)nn1 67820902 UGPXYKLQBQZMQT-LBPRGKRZSA-N 326.425 4.090 0 50 EIAA FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3c[nH]cn3)C2)c1 71405840 VRMCLMTWLFQGGD-OAHLLOKOSA-N 337.389 4.273 0 50 EIAA CCOC(=O)CCc1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 116440585 NIDKCCJZUOZEQN-UHFFFAOYSA-N 327.808 4.183 0 50 EIAA O=C(C[C@@H]1OCCc2ccsc21)NCc1ccc2ccccc2c1 170621036 BRUHFJOZLUEMPG-SFHVURJKSA-N 337.444 4.222 0 50 EIAA COc1ccccc1C[C@@H](C)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 170669667 FRCBQYITQVKREN-FOIQADDNSA-N 337.467 4.489 0 50 EIAA C[C@H](CCc1cccn1C)NC(=O)c1c(Cl)cccc1Cl 176453873 FCVNQKIVUHQFGW-LLVKDONJSA-N 325.239 4.083 0 50 EIAA C[C@H](Sc1nc2ccsc2c(=O)n1C)c1ncc(C(C)(C)C)o1 177224974 XAEHIQXSIPTMQU-VIFPVBQESA-N 349.481 4.134 0 50 EIAA O=C(c1cc2ccccc2s1)N1CCC(O)(c2ccccc2)CC1 185899799 YNDQVDOKJQSZPM-UHFFFAOYSA-N 337.444 4.025 0 50 EIAA CCN(Cc1c[nH]c2ccccc12)C(=O)c1noc2c1CCCCC2 188878989 QAUXRHZKFZJDQU-UHFFFAOYSA-N 337.423 4.087 0 50 EIAA CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1Cl 189527323 XRHLZAQRCXBWOM-QGZVFWFLSA-N 345.874 4.347 0 50 EIAA Cc1nc(CC(=O)N2CCc3c(cccc3C(C)C)C2)c(C)s1 190684158 DXOYLKLXVYGKIY-UHFFFAOYSA-N 328.481 4.011 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)c2cc(Cl)ccc2F)c(C)s1 223648396 GNOPTXDFVITLBV-MRVPVSSYSA-N 326.824 4.386 0 50 EIAA Cc1ccc2c(c1)N(C(=O)CCc1ncc(C(C)(C)C)o1)CCCO2 253398228 QPDUGBWBJSTEKR-UHFFFAOYSA-N 342.439 4.029 0 50 EIAA COc1cccc(/C=C(/Cc2ccccc2)c2nccc(O)n2)c1F 253536200 IKPLZTJGVANQPD-SSZFMOIBSA-N 336.366 4.113 0 50 EIAA CC(C)(C)c1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)cc1 262279421 LMPJCVCYZNSPGW-UHFFFAOYSA-N 343.496 4.160 0 50 EIAA CC(C)n1cccc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273467895 FCIGTFCKADBBEA-IEBWSBKVSA-N 344.430 4.200 0 50 EIAA CCN(CC(=O)O)Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1 341515091 TVPBFULRDXXYAC-UHFFFAOYSA-N 341.451 4.097 0 50 EIAA CCc1cnc(C)nc1-c1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 426518315 LLGGWHPVLFVGDT-AWEZNQCLSA-N 349.434 4.441 0 50 EIAA CCc1nn(C)cc1CN[C@@H](C)c1csc(-c2ccccc2F)n1 462816891 FYWDLGTZRYSMPQ-LBPRGKRZSA-N 344.459 4.096 0 50 EIAA Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCC[C@H](C)C2)no1 822416762 DOHIWBYIKJRLKR-NSHDSACASA-N 333.819 4.125 0 50 EIAA CC1=CC2(CCN(C(=O)[C@@H](C)Sc3ccc(C)cc3)CC2)OCC1 1704300877 YVKIOKBCVSGRBA-QGZVFWFLSA-N 345.508 4.203 0 50 EIAA COc1cccc(-c2nc(N(C)C[C@H]3C[C@H]3C)c3ccccc3n2)c1 1875359034 RRFFJAAXPFRESZ-GDBMZVCRSA-N 333.435 4.398 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@H](C)c1ccc2ccccc2n1 2325742181 AAUXTNCIOGCQQS-MSOLQXFVSA-N 334.463 4.045 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)c1ccc2ccccc2n1 2325742182 AAUXTNCIOGCQQS-QZTJIDSGSA-N 334.463 4.045 0 50 EIAA O=C(Cc1cccc(Cl)c1Cl)N(CC1CC1)c1cccnc1 2325750110 KOSVNZOIBTYQPB-UHFFFAOYSA-N 335.234 4.374 0 50 EIAA CC[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)OC)C1 133319 WNLJQJPYRTWHDF-JTQLQIEISA-N 349.477 4.363 0 50 EIAA COc1cccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 178319 HWILQXVGTGSMPU-UHFFFAOYSA-N 330.815 4.201 0 50 EIAA O=c1c(CN2CC=C(c3ccc(F)cc3)CC2)coc2ccccc12 212952 FTVQGUWCDVEIJA-UHFFFAOYSA-N 335.378 4.221 0 50 EIAA COc1ccc(OC)c(CN2CCC(Cc3ccccc3)CC2)c1 237451 SYJINUQHFMETCP-UHFFFAOYSA-N 325.452 4.159 0 50 EIAA COC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 379185 MLSRSPOXKSOVAN-UHFFFAOYSA-N 349.839 4.248 0 50 EIAA CC(C)N(C(=O)CSc1nc2ccccc2n1C)c1ccccc1 392231 ZOVFXOZOZAQBMV-UHFFFAOYSA-N 339.464 4.107 0 50 EIAA Cc1ccc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c2c1 1294481 ZWLIPQFCFLDHKS-UHFFFAOYSA-N 349.818 4.395 0 50 EIAA O=C(O)c1cc(Br)ccc1OCc1cccc(Cl)c1 1566108 NOPORWFTNKIIGY-UHFFFAOYSA-N 341.588 4.380 0 50 EIAA CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1 1714738 RSUVYMGADVXGOU-BUHFOSPRSA-N 340.492 4.382 0 50 EIAA investigational Cc1cc(OCCCn2cnc3ccccc3c2=O)cc(C)c1Cl 2862800 LBUWLZDFCOZGSM-UHFFFAOYSA-N 342.826 4.136 0 50 EIAA FC(F)(F)c1cc(-c2ccncc2)nc2c(-c3ccccc3)cnn12 4988636 PVFUFOKVOXUBPA-UHFFFAOYSA-N 340.308 4.477 0 50 EIAA Cc1ccc(NC(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)c(C)c1 11821944 KIERXGGUOJFSBP-OAHLLOKOSA-N 349.438 4.075 0 50 EIAA CCOc1ccccc1-c1nc(CN(C)[C@@H](C)c2ccon2)c(C)o1 12385934 AQOIBFRQWMIABM-ZDUSSCGKSA-N 341.411 4.230 0 50 EIAA CCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13325811 BTGMFPDVMIXQTJ-UHFFFAOYSA-N 332.709 4.470 0 50 EIAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 15069041 GQPOHRVKRPHRGQ-QFIPXVFZSA-N 342.446 4.347 0 50 EIAA O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1cccc(Cl)c1 36387486 KFWBPLWYFUKRBD-BRSBDYLESA-N 341.838 4.356 0 50 EIAA Clc1ccc(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)s1 39371591 AERCABCMRDVEAX-GOSISDBHSA-N 338.948 4.490 0 50 EIAA CCC[C@@H](C)NC1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 63855969 GESVFJUFKRFAAI-MRXNPFEDSA-N 338.499 4.199 0 50 EIAA CCCc1oncc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 71747672 KINFUYBHCARZNI-OAHLLOKOSA-N 344.430 4.251 0 50 EIAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 95366730 HINGOXWFQDAIGO-CYBMUJFWSA-N 348.397 4.154 0 50 EIAA CCOc1ccc([C@H](C)Nc2nc(C)nc3ncccc23)cc1F 95374744 XTYAFQGPRGFWSA-NSHDSACASA-N 326.375 4.044 0 50 EIAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1oc2c(C)cccc2c1C 156903421 GBUAVOPQFNZCMC-INIZCTEOSA-N 337.423 4.367 0 50 EIAA Fc1cc(F)c2c(c1)N(Cc1ccc(Oc3cnccn3)cc1)CC2 170599891 CZMCBVLAWKBMSH-UHFFFAOYSA-N 339.345 4.110 0 50 EIAA COc1ccc(Cl)cc1[C@H](C)Nc1cnn(Cc2ccccn2)c1 182145517 RVOLAKFNWCPURM-ZDUSSCGKSA-N 342.830 4.162 0 50 EIAA C[C@H](NC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)c1nccs1 182622230 NCTSBIOMGQDEEE-ZDUSSCGKSA-N 343.496 4.270 0 50 EIAA CCCNC(=O)c1cccc(-c2cc(OC(F)(F)F)ccc2O)c1 1772701317 DWWJGZNXFJAXBX-UHFFFAOYSA-N 339.313 4.098 0 50 EIAA CCCSCc1nnc2sc(-c3cccc4cccnc34)nn12 1776111019 MYBRLAVGLLDKBP-UHFFFAOYSA-N 341.465 4.044 0 50 EIAA Cc1ccc(COn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 167648 DNCAECVRAHXYNP-UHFFFAOYSA-N 342.398 4.001 0 50 EIAA CC[C@@H]1CCc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)C1 433099 SCOCKGQONUJONV-LLVKDONJSA-N 343.452 4.006 0 50 EIAA COC(=O)c1sccc1NC(=O)c1cc(Cl)ccc1Cl 473523 DGYZSMNZJNRMNA-UHFFFAOYSA-N 330.192 4.094 0 50 EIAA COc1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 609838 HVGQJNLLJKIVMG-UHFFFAOYSA-N 338.329 4.078 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2cccc(F)c2)s1 1306902 WNNOHBBNMUOOSY-UHFFFAOYSA-N 332.335 4.127 0 50 EIAA CCOC(=O)CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1 2808244 UPYPZIYOUJJQNC-UHFFFAOYSA-N 343.235 4.106 0 50 EIAA Cc1cc(C)c(OCC(=O)Nc2ccc(Br)cc2)cc1C 2880683 URWLULIOFGCXKH-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)O)c1 5024787 OGHQNPAFVHRSDJ-UHFFFAOYSA-N 345.398 4.464 0 50 EIAA Cc1nc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c[nH]1 12317296 VETDNEWSOGYLDX-QGZVFWFLSA-N 339.483 4.111 0 50 EIAA Cc1cccc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c1C 13961097 CIGJSVDINBMCKX-MRXNPFEDSA-N 346.789 4.228 0 50 EIAA Clc1ccc(CN2CCN(Cc3ccccc3)CC2)c(Cl)c1 19537014 FQTDWJCYVDKIMG-UHFFFAOYSA-N 335.278 4.311 0 50 EIAA Cc1[nH]c2ccccc2c1CN1CCN(c2ccccc2Cl)CC1 55542983 ZLOFSRONFSOHJK-UHFFFAOYSA-N 339.870 4.452 0 50 EIAA CCN(Cc1c(F)cccc1Cl)C(=O)c1ccc2nc(C)cn2c1 82107678 GGPGVHUSPKVJFF-UHFFFAOYSA-N 345.805 4.098 0 50 EIAA COc1cc([C@@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)ccc1O 95910078 JPDORDSJPIKURD-OCBHBYCGSA-N 342.391 4.214 0 50 EIAA biogenic,in-vitro Cc1cc(CN[C@H]2CCOC(C)(C)C2)ccc1Oc1cccnc1 160634848 FMOKZABZAXJOTR-KRWDZBQOSA-N 326.440 4.230 0 50 EIAA O=C(c1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1)c1cc[nH]c1 170652105 DOBZMLAHFNMDFS-JOCHJYFZSA-N 348.446 4.208 0 50 EIAA CC[C@@H](OC1CCCC1)C(=O)N(C)c1ccc2nc(C)sc2c1 175453241 XVDNYFIBNZTAON-MRXNPFEDSA-N 332.469 4.305 0 50 EIAA Cc1nc(CNC(=O)CC(C)(C)CC(=O)c2ccccc2)c(C)s1 225657663 CXLRFCUYSRHUEC-UHFFFAOYSA-N 344.480 4.065 0 50 EIAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCC[C@H]1c1ccncc1)C2 249517771 HRGAOXDSIXXYEJ-BOSXTWCSSA-N 327.472 4.143 0 50 EIAA COc1ccc(CNc2nc(-c3oc(C)nc3C)cs2)cc1OC 268717348 GQBLTABVTCPNJQ-UHFFFAOYSA-N 345.424 4.044 0 50 EIAA Cc1cccc([C@@H]2CCCN(C(=O)Nc3cccc4cn[nH]c34)C2)c1 299766370 DAEMUDLYYGOIDO-QGZVFWFLSA-N 334.423 4.283 0 50 EIAA C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1coc(C2CCCCC2)n1 328711281 BCYPSQIRDDRPCI-AWEZNQCLSA-N 342.439 4.131 0 50 EIAA CCC(CC)n1ncc(C(=O)Nc2ccc3c(C)nn(C)c3c2)c1C 360798246 BDNQCLSCQVTUJJ-UHFFFAOYSA-N 339.443 4.000 0 50 EIAA O=C(Cc1cc2c(ccc3ccccc32)o1)N1CC[C@H]([C@@H]2CCOC2)C1 366853041 JDRCQJWZQAQAPX-DLBZAZTESA-N 349.430 4.014 0 50 EIAA C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)Cc1ncccc1C(=O)O 652429172 ADLXOYYRZREAJT-STQMWFEESA-N 332.831 4.057 0 50 EIAA Cc1nnc(-c2ccc(NC(=O)c3cccc4c3CCCC4)cc2)o1 825965863 YZQURRFQUPAYJD-UHFFFAOYSA-N 333.391 4.176 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2 35935 WQTJOHHHKNWSIK-UHFFFAOYSA-N 343.448 4.446 0 50 EIAA C[C@H]1CCc2c(sc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)C1 143657 LVMXVULTFAKHMA-NSHDSACASA-N 344.867 4.285 0 50 EIAA C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 423618 HXJAQGXFQZEBPW-LLVKDONJSA-N 349.228 4.119 0 50 EIAA COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 440488 UCERHXQSFRMAAB-UHFFFAOYSA-N 347.414 4.223 0 50 EIAA biogenic Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 456701 WYSXMWQJLJBYOW-JXMROGBWSA-N 330.840 4.175 0 50 EIAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cn1 465258 VBYYBXDZKLOTCZ-MRVPVSSYSA-N 345.613 4.448 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ncc(Cl)cc1Cl)CC2=O 468366 RMRHPJUQWQEFAC-CVEARBPZSA-N 341.238 4.112 0 50 EIAA S=C(Nc1cccc(Cn2cc(Cl)cn2)c1)NC1CCCCC1 611596 JIMHQXHOACWBKJ-UHFFFAOYSA-N 348.903 4.204 0 50 EIAA CC(C)(C)c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1 612735 JASYWCQGDVUHJZ-UHFFFAOYSA-N 335.436 4.212 0 50 EIAA Cc1cccc(C)c1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 1002197 CXVHRWYTFHBCKL-UHFFFAOYSA-N 329.787 4.047 0 50 EIAA Cn1c(SCC(=O)c2ccccc2)nnc1-c1cc2ccccc2o1 1074649 CLZCAEFHRIBNST-UHFFFAOYSA-N 349.415 4.203 0 50 EIAA CCc1nnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)s1 1773530 NLOAUBGKCNHISE-UHFFFAOYSA-N 347.484 4.196 0 50 EIAA CC(=O)c1cccc(NC(=O)CCCOc2cc(C)ccc2C)c1 1779271 LNFARZMVWUSNMG-UHFFFAOYSA-N 325.408 4.304 0 50 EIAA CCc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1 2713338 XWRVABVDHUDCRL-UHFFFAOYSA-N 334.423 4.007 0 50 EIAA O=c1oc2ccccc2n1Cc1ccc(OCc2ccccc2)cc1 2882352 SCNFJOLAYXICAA-UHFFFAOYSA-N 331.371 4.222 0 50 EIAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 9300092 FRQMUZJSZHZSGN-WUYKVCINSA-N 344.495 4.084 0 50 EIAA COCC[C@@H]1CCCCN1Cc1nc(-c2cccc(C)c2)oc1C 11718882 FYERAAVSWLGYKM-SFHVURJKSA-N 328.456 4.349 0 50 EIAA CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 12138228 ZDLYSAQRSPYZEK-GFCCVEGCSA-N 330.815 4.121 0 50 EIAA CN(C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccccc1 12404425 SJQCZFZMQDNMCH-UHFFFAOYSA-N 348.377 4.355 0 50 EIAA Fc1ccccc1N1CCN(Cc2cccc(Cl)c2Cl)CC1 55543816 BIKHEBKWMJZFPB-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA O=C1C[C@H](c2ccc(F)cc2Cl)c2cnn(C3CCCC3)c2N1 72140626 MNTVOAODRGBONO-CYBMUJFWSA-N 333.794 4.265 0 50 EIAA COCc1ncc(CN(C)Cc2ccc(Oc3ccccc3)cc2)cn1 72477784 QXWGISYSDRDXKU-UHFFFAOYSA-N 349.434 4.047 0 50 EIAA CC[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)c1ccncc1 170611087 DIWMRKDGQNEQDU-KBPBESRZSA-N 343.393 4.153 0 50 EIAA CCOc1ccc(NC(=O)c2ccc3nccn3c2)c(C(F)(F)F)c1 171161808 GZHNVFWYPGHREJ-UHFFFAOYSA-N 349.312 4.004 0 50 EIAA Cc1cnccc1CNC(=O)c1cccc(N[C@H](C)C(C)C)c1C 187440048 SJGJTJZXDPOLJY-MRXNPFEDSA-N 325.456 4.085 0 50 EIAA O=C(Nc1ccsc1Cl)N1CCC[C@H]1C[C@H](O)c1ccco1 189321734 BNRWQBPMEPLDPF-JQWIXIFHSA-N 340.832 4.115 0 50 EIAA Cc1ccc2ncccc2c1CNC(=O)c1cc(F)c(F)cc1Cl 219857525 XWVYJHQWVFYSND-UHFFFAOYSA-N 346.764 4.405 0 50 EIAA c1csc(Cn2c(C3CC3)nnc2N2CCC[C@@H]2C2CCC2)c1 290992879 ATRTWJVZVBAEQQ-MRXNPFEDSA-N 328.485 4.034 0 50 EIAA C/C=C(\C)C(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 299778757 PTXSPGZCCZXNKK-MTDDYQMPSA-N 347.867 4.454 0 50 EIAA CC(C)c1nnc([C@@H]2COCCN2C2CCC(C(C)(C)C)CC2)o1 374994406 JFSCOWYZBGIEAI-GPANFISMSA-N 335.492 4.171 0 50 EIAA Cc1ccc2nc([C@@H](NC(=O)N(C)CC3CCC3)C(C)C)[nH]c2c1 426719827 IMRKHXLRSNXSRG-KRWDZBQOSA-N 328.460 4.010 0 50 EIAA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccccc1 498051107 RVCRHLZVEPSRFZ-SFHVURJKSA-N 325.408 4.210 0 50 EIAA O=C(COC(=O)C1(c2ccccc2)CCC1)c1cccc(Cl)c1 756730413 SOMQIUSSRDWZQI-UHFFFAOYSA-N 328.795 4.188 0 50 EIAA Cc1ccc(-c2nccn2C[C@H]2CC[C@H](CO)CC2)c2cccnc12 1875249826 DCONDJDMOVFVPE-QAQDUYKDSA-N 335.451 4.205 0 50 EIAA CCOc1ccc(NC[C@H](O)Cn2c(C)c(C)c3ccccc32)cc1 86837 OLJIRVLFEXAKQR-SFHVURJKSA-N 338.451 4.130 0 50 EIAA Cc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 276872 VPGAMTLHUMALFM-UHFFFAOYSA-N 334.385 4.336 0 50 EIAA O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(F)cc1F 375326 HYTAKGLLUUXCQW-FPYGCLRLSA-N 338.151 4.379 0 50 EIAA COc1ccc(OC)c(NC(=S)Nc2cccc(Cl)c2C)c1 611936 RVKVZQXTJHSHIM-UHFFFAOYSA-N 336.844 4.475 0 50 EIAA Brc1ccc2[nH]cc(C3=CCC4(CC3)OCCO4)c2c1 3883960 ZGKVTJQGVWHCDH-UHFFFAOYSA-N 334.213 4.241 0 50 EIAA CC1=C(C)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C(=O)O)C1 4893672 VDBPMDLICMFYOB-KGLIPLIRSA-N 342.222 4.379 0 50 EIAA Cc1oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2c1C 5206260 YSZNPGHZINERDU-UHFFFAOYSA-N 330.347 4.013 0 50 EIAA CC(C)=CCC[C@@H](C)CN1CCc2nnc(-c3ccccc3)n2CC1 15005085 GZNUXWUPCHSEKC-GOSISDBHSA-N 338.499 4.186 0 50 EIAA CCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(=O)O 27640604 HYBPXYQCXNOTFK-DUSCRHDRSA-N 340.504 4.296 0 50 EIAA in-vitro CCCn1ncc(-c2ccnc(N[C@@H](C)c3ccc(F)cc3)n2)c1C 63869379 IQWLXDCIYXQLIE-ZDUSSCGKSA-N 339.418 4.371 0 50 EIAA Fc1ccc([C@@H]2CN(Cc3c(Cl)cncc3Cl)CCO2)cc1 71762981 PZTPBWNNZXQKIR-INIZCTEOSA-N 341.213 4.101 0 50 EIAA CCN(CCN1CCCCCC1)Cc1ccc([C@H]2CCCCO2)o1 97324012 XBNPNLBTQFJLSQ-LJQANCHMSA-N 334.504 4.219 0 50 EIAA Clc1ccc(-c2n[nH]cc2CN(Cc2ccccn2)C2CC2)cc1 97602401 AWSTWJAFLUIYPW-UHFFFAOYSA-N 338.842 4.290 0 50 EIAA Cc1nn(-c2ccccc2)cc1CNc1ccc2c(c1)CCCC(=O)N2 130478242 QMBJMKPJPHFCIB-UHFFFAOYSA-N 346.434 4.068 0 50 EIAA CC(C)c1nc(N2CCC(c3ccnn3C)CC2)cc(C(C)(C)C)n1 170610843 FBCYGOGLLUGEJB-UHFFFAOYSA-N 341.503 4.015 0 50 EIAA Cc1nnc(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)o1 171301677 WKXDEVUQKNSNJJ-UHFFFAOYSA-N 343.770 4.005 0 50 EIAA Cc1cc(F)ccc1CNc1ccc(C(=O)NCC(F)(F)F)cc1 181822624 RWKAJMDBDZYYTA-UHFFFAOYSA-N 340.320 4.038 0 50 EIAA O=C(C[C@@H]1CCCOC1)N1CCc2ccccc2[C@H]1Cc1ccccc1 193679495 JAJHHBWXKPDSJD-SIKLNZKXSA-N 349.474 4.172 0 50 EIAA C[C@@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1cc2ccccc2o1 894344054 ZVTBKBLIRMWBLH-GFCCVEGCSA-N 341.411 4.279 0 50 EIAA Cc1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(C)c2)cc(C)n1 952990577 UZGWKTYGGNSVGY-UHFFFAOYSA-N 339.439 4.244 0 50 EIAA Cc1nc(-c2cc(C(=O)NCc3ccc(Cl)cc3)co2)cs1 1875253203 SCOJQKGUGMOENQ-UHFFFAOYSA-N 332.812 4.295 0 50 EIAA O=C(N[C@H]1CCCC2(C1)N=N2)c1cncc(-c2ccc(Cl)cc2)c1 1875296958 WLEJUARRJMGETC-INIZCTEOSA-N 340.814 4.237 0 50 EIAA CC(C)Cc1noc(CN2CCC[C@]2(C)Cc2cc(F)ccc2F)n1 2325828034 XAITZVLLZJGFIF-LJQANCHMSA-N 349.425 4.144 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@@H](C)c1ccccc1C(F)F 2325842385 WVCWYZQBRQPUDF-HOTGVXAUSA-N 333.422 4.434 0 50 EIAA CCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 146918 RKVKRFAQFWRXGX-UHFFFAOYSA-N 338.451 4.257 0 50 EIAA CC(C)C(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 285122 WTYDTIXXMYGORN-LLVKDONJSA-N 326.676 4.247 0 50 EIAA Cc1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)cc1 315323 KMLPXMXPVHZEOH-UHFFFAOYSA-N 339.508 4.131 0 50 EIAA Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(N2CCC(C)CC2)c1 439605 BOXCYCKRNCSQSV-UHFFFAOYSA-N 348.446 4.028 0 50 EIAA Oc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1 572960 NIXDVXSPFPQLRV-UHFFFAOYSA-N 332.363 4.284 0 50 EIAA CC1=NN(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2O1 1384429 NQSTWNCUMQYJKE-UHFFFAOYSA-N 334.297 4.074 0 50 EIAA C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@@H]2CC[C@@]3(O)C(C)=O)[C@@]2(C)CCC(=O)C=C12 2106129 JKPFAFOFFYRBDB-WXEUSARHSA-N 342.479 4.005 0 50 EIAA biogenic CCCCCCn1cc(C(=O)OCC)c(=O)c2ccc(Cl)cc21 2287036 UNFNVHALSFSXDD-UHFFFAOYSA-N 335.831 4.412 0 50 EIAA CCOC(=O)c1ccc(N[P@](C)(=O)Oc2ccc(F)cc2)cc1 2900662 WQCGUGTWPGEYCJ-HSZRJFAPSA-N 337.287 4.316 0 50 EIAA Clc1ccc(OCCN2CCCCCC2)c(Br)c1 4480179 WPAIXDQZVNWTND-UHFFFAOYSA-N 332.669 4.357 0 50 EIAA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccco2)C1 5902099 DQGGBGSWOOCOBQ-LLVKDONJSA-N 332.469 4.004 0 50 EIAA Cc1ccc(C(C)C)c(OC[C@@H](O)CN[C@H](C)c2ccccc2)c1 5968102 ZDOYPOMEISNALF-MJGOQNOKSA-N 327.468 4.209 0 50 EIAA COc1cc2c(c(OC)c1)[C@@H](c1ccc(C(C)C)cc1)CC(=O)N2 17066621 DPSPHJXGZJXCGW-MRXNPFEDSA-N 325.408 4.301 0 50 EIAA CCOc1cccc(-c2cc(C(N)=O)c3ccc(Cl)c(C)c3n2)c1 17071321 YPYPNCSGHKSEBL-UHFFFAOYSA-N 340.810 4.361 0 50 EIAA COc1cc(NCc2c(F)cccc2Cl)cc(OC)c1OC 23282819 CLWVBLDVVDFAQI-UHFFFAOYSA-N 325.767 4.117 0 50 EIAA Cc1cc(N(CCO)Cc2ccccc2)nc2cc(Cl)ccc12 23634604 AMYWYYJXRRTCHY-UHFFFAOYSA-N 326.827 4.196 0 50 EIAA Cc1cccc(N2C[C@@H](C)N(Cc3c(F)cccc3Cl)CC2=O)c1 82087728 MCJZNSUKNWTNPG-CQSZACIVSA-N 346.833 4.025 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)N1CC=C(c2cccs2)CC1 154994444 SOBSSCXJQQZYTQ-UHFFFAOYSA-N 329.425 4.243 0 50 EIAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1 155881284 AYEXYMFQEGNOHR-NEPJUHHUSA-N 340.370 4.151 0 50 EIAA Cc1ccc(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)c(F)c1 176233948 GAMIJXPOFAQBRF-QGZVFWFLSA-N 339.370 4.114 0 50 EIAA Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 189007161 ABCYOGXPACPYJG-HNNXBMFYSA-N 342.439 4.214 0 50 EIAA Cc1cc([C@@H]2CCCCN2C(=O)Cc2c(C)[nH]c3ccccc23)no1 222345209 KOJFYGTTWPKNHT-IBGZPJMESA-N 337.423 4.069 0 50 EIAA COc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)c1 225517979 NSGOAOUNAARASJ-LJQANCHMSA-N 346.386 4.280 0 50 EIAA Cn1ncc(NC(=O)Nc2ccc(F)cc2F)c1-c1ccccc1 348137847 GEPMGAFSHLSDTE-UHFFFAOYSA-N 328.322 4.009 0 50 EIAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3c[nH]ccc3=N)cc2)C1 426443071 VTLYNIYWOWXMEX-VGOFRKELSA-N 349.478 4.202 0 50 EIAA CC(C)N(C(=O)c1ccccc1-c1cnc2ccc(F)cn12)C(C)C 426551370 SKWFEZHJQFXHTF-UHFFFAOYSA-N 339.414 4.399 0 50 EIAA CN(CCCOc1cccc(Cl)c1)C(=O)c1cccc2cc[nH]c12 463291260 NCUOFKLYZRVUPE-UHFFFAOYSA-N 342.826 4.362 0 50 EIAA Cc1ccccc1NC(=O)CCN[C@@H](C)CCc1c[nH]c2ccccc12 821175192 FJSHCGXMXBCWBG-KRWDZBQOSA-N 349.478 4.416 0 50 EIAA COc1cc(S(=O)(=O)Oc2ccc(Cl)c(C)c2)c(C)cc1C 1875318639 JZOHKXCHCJZVBP-UHFFFAOYSA-N 340.828 4.042 0 50 EIAA O=C(NC1(c2ccccc2)CCCC1)c1cnc(C(F)(F)F)s1 2325829176 BHEJLXOJLOILHY-UHFFFAOYSA-N 340.370 4.361 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc3oc(C)cc3c1)C2 2356144010 GNKYDVAZHXJSNX-UYAOXDASSA-N 327.424 4.163 0 50 EIAA OCCc1ccc(Nc2cccc(-c3nc4ncccc4o3)c2)cc1 2356152162 RSFIGMJMKVJJQY-UHFFFAOYSA-N 331.375 4.168 0 50 EIAA FC(F)(F)c1ccc2nnc(-c3ccc(Br)cc3)n2c1 205618 KLHJFMFBPPKPFK-UHFFFAOYSA-N 342.118 4.178 0 50 EIAA CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1Cl 266461 OSHDXVJPNQJVBO-UHFFFAOYSA-N 337.828 4.393 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1Cl 266838 SFTAZFJFMGHBAL-UHFFFAOYSA-N 335.787 4.008 0 50 EIAA CCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 1075410 PCCYNQNEVZAIRB-UHFFFAOYSA-N 327.767 4.462 0 50 EIAA COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)cc1 1871615 YNEMPXKRLPZFAX-UHFFFAOYSA-N 338.359 4.155 0 50 EIAA biogenic,in-vitro Cn1c(C(O)(c2ccccc2)c2ccccc2)nc(Cl)c1Cl 4477031 TWOGVOZCYIQYQP-UHFFFAOYSA-N 333.218 4.011 0 50 EIAA CCN(C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 4833694 TZDKZTJKHMUBFV-HNNXBMFYSA-N 346.298 4.388 0 50 EIAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCc3ccco3)c2c1 6401290 UBOSEQSRLSAGDH-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA CCOc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)OC3)cc1 6712568 IEJNSGVYJIOYRR-GOSISDBHSA-N 339.416 4.155 0 50 EIAA CCc1cc(OCCCCN2C[C@H](C)O[C@H](C)C2)ccc1Cl 16247305 KVLYPGAFXFBFOL-GASCZTMLSA-N 325.880 4.171 0 50 EIAA Cc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 16971691 YFNQXAOYEZSZEU-UHFFFAOYSA-N 346.415 4.314 0 50 EIAA CC(C)c1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1 20449721 ADLDYOLIKZPAON-UHFFFAOYSA-N 346.478 4.127 0 50 EIAA FC(F)(F)c1nc(-c2ccc(-c3ccccc3)nc2Cl)no1 43828102 MWCZTICCTDGJJU-UHFFFAOYSA-N 325.677 4.471 0 50 EIAA Cc1ccccc1N1CCN(Cc2cccc(Br)c2)CC1 55543919 MFWPZENZOVIKID-UHFFFAOYSA-N 345.284 4.080 0 50 EIAA CCc1nn2c(-c3ccc4c(c3)OCO4)ccnc2c1-c1ccccc1 67630898 HCEBAEGNCBXWJS-UHFFFAOYSA-N 343.386 4.354 0 50 EIAA Cc1ccc2c(C)c(C(=O)N(C)CCC[C@H]3CCCO3)oc2c1C 77438023 FYYWHUBLOLLPQT-INIZCTEOSA-N 329.440 4.389 0 50 EIAA COC[C@]1(O)CCN(Cc2ccc(-c3ccccc3)s2)CC1(C)C 91255029 JRKFJAIQCDNEGW-HXUWFJFHSA-N 345.508 4.025 0 50 EIAA CC(C)=C1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 101052923 KHKQQNDOVDMPPG-WKZMJMAVSA-N 345.442 4.115 0 50 EIAA CCC(CC)n1nc(C(=O)N[C@@H]2CCCOc3ccccc32)cc1C 183414605 AKNJKOZYAGUMHR-QGZVFWFLSA-N 341.455 4.196 0 50 EIAA COCC[C@@H](NCc1cncs1)c1ccc(Cl)c(Cl)c1 341269650 MBIKWYRLDBVKOF-CQSZACIVSA-N 331.268 4.317 0 50 EIAA CN(C(=O)c1ccnn1C1CCC1)c1nc2cc(Cl)ccc2s1 904901626 XDIJCSZHSYKFCC-UHFFFAOYSA-N 346.843 4.148 0 50 EIAA CCOc1ccc(O[C@@H](C)C(=O)Nc2ccc3scnc3c2)cc1 952965703 SUXDKDZWJOGGRM-LBPRGKRZSA-N 342.420 4.101 0 50 EIAA Oc1ncc(CNc2ccnc(-c3ccccc3)n2)c2ccccc12 1472880716 DHDLOXFDNXNDHZ-UHFFFAOYSA-N 328.375 4.010 0 50 EIAA c1cn(-c2ccc3c(c2)COC3)c(-c2ccc([C@@H]3CCCCO3)o2)n1 1772811027 RWFQXOBROKEXTP-KRWDZBQOSA-N 336.391 4.404 0 50 EIAA O=C(Oc1ccc2cncnc2c1)C1(C(F)(F)F)CC2(CCC2)C1 2325767665 QVPRICPBSJGBJN-UHFFFAOYSA-N 336.313 4.048 0 50 EIAA Cc1cccc(NS(=O)(=O)c2sccc2C2CC2)c1Cl 2325866261 FYIVXCIUVZMBDC-UHFFFAOYSA-N 327.858 4.388 0 50 EIAA COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 20246 VRQVVMDWGGWHTJ-CQSZACIVSA-N 328.481 4.496 0 50 EIAA biogenic,world COc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 30230 WKOAORLEDJJCNV-UHFFFAOYSA-N 345.398 4.249 0 50 EIAA O=C(NCC1(c2ccccc2)CCCC1)c1ccc(Br)o1 186083 NDEJWVRHGZZGFX-UHFFFAOYSA-N 348.240 4.284 0 50 EIAA CCc1nc2sc(C(=O)Nc3ccc(F)cc3)c(N)c2cc1C 547186 DCLZJTSLQHFPJK-UHFFFAOYSA-N 329.400 4.141 0 50 EIAA Clc1ccccc1-c1nc(-c2ccc(Br)o2)no1 1071789 BBNRKDNAJVDNIW-UHFFFAOYSA-N 325.549 4.413 0 50 EIAA O=C(Nc1ccc(C(=O)OCc2ccccc2F)cc1)c1ccccc1 1075035 UJKXHBRSBWISJV-UHFFFAOYSA-N 349.361 4.435 0 50 EIAA COc1cccc(CNCc2ccco2)c1OCc1ccccc1F 4488571 HDNRTIGBEYRUTM-UHFFFAOYSA-N 341.382 4.296 0 50 EIAA Cc1c([C@@H](C)NCc2ccc(F)cc2F)cnn1-c1cccc(F)c1 12199830 FSSBORPFQHRNAB-GFCCVEGCSA-N 345.368 4.449 0 50 EIAA Cc1ccccc1[C@@H](CC(=O)NCCc1cccnc1)c1ccccc1 12443097 LWDKMSJZEFGWNE-QFIPXVFZSA-N 344.458 4.271 0 50 EIAA C[C@H]1CN(C(=S)c2cccc(Oc3ccccc3)c2)C[C@@H](C)O1 13714122 LGGSQRDRCNFPEL-GASCZTMLSA-N 327.449 4.264 0 50 EIAA Cc1ccc(OCc2cc(C(=O)N3CCCCCCC3)no2)cc1C 14962528 IXOVGEKVEPACOQ-UHFFFAOYSA-N 342.439 4.277 0 50 EIAA Cc1sc2[nH]c(=S)n(CCc3ccc(F)cc3)c(=O)c2c1C 17070492 XEUFJDIXMAWGEU-UHFFFAOYSA-N 334.441 4.119 0 50 EIAA O=c1c2ccccc2nc2sc(-c3cc(Cl)ccc3Cl)nn12 17072335 YXPSFMTXMXZKJA-UHFFFAOYSA-N 348.214 4.278 0 50 EIAA O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1F 25762660 AYYRWKOMLDNYQG-UHFFFAOYSA-N 334.709 4.169 0 50 EIAA Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 28291357 QSVDKBIDUWZSCG-SFHVURJKSA-N 342.508 4.260 0 50 EIAA O=C(CCc1ccc(F)cc1)Nc1ccc(Cc2ccncc2)cc1 72437333 JKPSZHYBZIZCNE-UHFFFAOYSA-N 334.394 4.383 0 50 EIAA Cn1ccc([C@@H]2CCCCN2C(=O)c2ccc3sccc3c2)n1 91694689 XQUJZRZMJNSART-INIZCTEOSA-N 325.437 4.002 0 50 EIAA Cc1cnc2c(c1)N(C(=O)c1oc3ccc(Cl)cc3c1C)CCO2 127297522 XXAFPXYASNLLNR-UHFFFAOYSA-N 342.782 4.137 0 50 EIAA CSc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 171342537 UCIHIFWEOFFSNS-UHFFFAOYSA-N 340.448 4.244 0 50 EIAA CCOc1ccc2cc(C(=O)N3CCCN(C)c4ccccc43)[nH]c2c1 172362340 CJUONUNDAVUOHG-UHFFFAOYSA-N 349.434 4.053 0 50 EIAA CCc1cccc2c(CC(=O)Nc3cnn([C@H](C)C4CC4)c3)c[nH]c12 186460175 DXLCYBJWCPTHQR-CYBMUJFWSA-N 336.439 4.079 0 50 EIAA Fc1ccccc1-c1ccc(CN2CC[C@H](N3CCCCC3)C2)o1 214984543 XYAJBLOLPKPULR-INIZCTEOSA-N 328.431 4.146 0 50 EIAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1nnc(-c2ccsc2)s1 246401035 JLICEOAGMTWGPD-NQBHXWOUSA-N 348.497 4.452 0 50 EIAA CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H]2c2cccs2)c1C 252444300 XIIZHANUUHWHCE-HIFRSBDPSA-N 344.480 4.304 0 50 EIAA Cc1noc(-c2ccccc2)c1NC(=O)N1CCOc2ccccc2C1 252539636 OFKXEUXDQUKHKM-UHFFFAOYSA-N 349.390 4.077 0 50 EIAA Cc1ccsc1C(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 828234772 HAPVXHBGIAJHAN-INIZCTEOSA-N 331.437 4.257 0 50 EIAA Cc1ccccc1C1CC(N(C(=O)c2ccn3ccnc3c2)C2CC2)C1 1875265492 AVHKSBBVEIVENF-UHFFFAOYSA-N 345.446 4.194 0 50 EIAA Cc1ccc(-c2ncc(-c3nc(C4(N)CCCC4)no3)s2)cc1C 2325755661 KZGMNLJUZIPWTB-UHFFFAOYSA-N 340.452 4.205 0 50 EIAA C[C@@H](c1cccc2ccccc12)n1cc(-c2cc(N)ccc2F)nn1 2325839660 AMQRWLNJAOMMTQ-ZDUSSCGKSA-N 332.382 4.429 0 50 EIAA O=C(O[C@H]1C[C@@H](Sc2ccccc2)C1)[C@@H]1C[C@H]1c1cccnc1 2325855083 HFFOHQZPIKMPKQ-XOYOTBSWSA-N 325.433 4.052 0 50 EIAA Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C)CC2(C)C)cc1 173873 JPHNGHVVVJQBDD-HNNXBMFYSA-N 329.465 4.476 0 50 EIAA NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 206129 KENRRTMYURCKOP-UHFFFAOYSA-N 345.427 4.311 0 50 EIAA CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 455740 KREXAFASIAWSFH-UHFFFAOYSA-N 342.464 4.205 0 50 EIAA COc1ccc(CCNC(=O)c2ccc(-c3ccccc3F)o2)cc1 1062165 WVJZDAVVHGWKLR-UHFFFAOYSA-N 339.366 4.067 0 50 EIAA COCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12 2774428 ZSRZRQGCKNDAHI-UHFFFAOYSA-N 348.446 4.285 0 50 EIAA CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccccc1 13328834 MPYNPWZKCAUTSH-WMLDXEAASA-N 327.424 4.075 0 50 EIAA O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cnn(C3CCCC3)c2N1 65489980 UGBNFMVQEXJKDL-ZDUSSCGKSA-N 349.356 4.491 0 50 EIAA Fc1ccc(CC[C@@H]2CCCN(CCc3ccccn3)C2)c(F)c1 72147553 SDBDWWBTUOMLDZ-INIZCTEOSA-N 330.422 4.247 0 50 EIAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCC[C@@H]1c1ccco1 120756798 IASQMYJPLIQMTJ-CQSZACIVSA-N 332.787 4.237 0 50 EIAA O=C(Nc1ccsc1Cl)N1CCC[C@H]1C[C@@H](O)c1ccco1 189321712 BNRWQBPMEPLDPF-CMPLNLGQSA-N 340.832 4.115 0 50 EIAA Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 238936946 SPTDNUYDNPCVID-YYFQZIEXSA-N 329.490 4.397 0 50 EIAA Fc1ccc(F)c(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c1 239402699 RBMDUBBCLOBBET-PMACEKPBSA-N 334.454 4.194 0 50 EIAA CC(C)c1cc([C@H]2CCCN2Cc2cc(-c3ccncc3)no2)no1 244626684 FQOYHQNJHIARLB-GOSISDBHSA-N 338.411 4.185 0 50 EIAA Cc1ccccc1CN(C)[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 248148800 ISVHPCPXQSCKQP-UTKZUKDTSA-N 336.479 4.009 0 50 EIAA Cc1nc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c(C)s1 252478875 AWNKGDLZVDFBID-OAHLLOKOSA-N 342.468 4.153 0 50 EIAA C[C@H]1CC[C@H](Sc2nnc(-c3ccncc3)n2CC(F)(F)F)C1 272375946 CQMNCCWEBQXMRJ-JQWIXIFHSA-N 342.390 4.183 0 50 EIAA C[C@H](Oc1ccccc1NCc1nnc2n1CCCC2)c1ccccc1 278651278 DHKCZMCPVDQTMJ-INIZCTEOSA-N 348.450 4.367 0 50 EIAA Cc1cc(F)ccc1-c1cccc(C(=O)N2CCO[C@H](C3CC3)C2)c1 426612583 QIEFDTGWFBLYCU-FQEVSTJZSA-N 339.410 4.052 0 50 EIAA CCSc1cccnc1C(=O)O[C@@H](c1ccccc1F)C(F)F 1875334442 OGYQIJKXWFNUGH-AWEZNQCLSA-N 341.354 4.496 0 50 EIAA Cc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1C 129354 IZXPBPHTZBDWPX-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1cccs1 182089 YTWAVRRKBKFWBN-UHFFFAOYSA-N 348.383 4.169 0 50 EIAA CCN(Cc1ccccc1)C(=O)C1CCN(C[C@@H]2CC=CCC2)CC1 4477737 TWBHDJQJUKMJBU-LJQANCHMSA-N 340.511 4.103 0 50 EIAA Cc1cc(S(=O)(=O)N2CCCc3ccccc32)c(C)cc1Cl 6527733 QJZAVEUXLQYZSB-UHFFFAOYSA-N 335.856 4.098 0 50 EIAA Cc1oc(-c2ccoc2)nc1CN(C)Cc1nc2ccccc2s1 11878636 NCFZIUPYNUBIOO-UHFFFAOYSA-N 339.420 4.485 0 50 EIAA CC(C)=CC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 14966521 PGSVJGSMUDBIOS-INIZCTEOSA-N 346.446 4.058 0 50 EIAA COc1ccccc1CN(Cc1ccccc1)C[C@H]1CCCCC1=O 55525085 HKAWHAJMTVHDDV-LJQANCHMSA-N 337.463 4.457 0 50 EIAA CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccccc1 72139243 VZUZDFHKNTYGBG-UHFFFAOYSA-N 342.786 4.054 0 50 EIAA Cc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(C)n1 72478907 YAURQUBTBMJVTG-UHFFFAOYSA-N 329.407 4.249 0 50 EIAA Cc1nc(-c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)no1 128262568 YDFOKRYNRHFKIR-UHFFFAOYSA-N 347.296 4.316 0 50 EIAA Nc1cc(C(=O)OCc2ccccc2)ccc1OCc1ccccc1 165676362 PZGYLLGTVQRIQS-UHFFFAOYSA-N 333.387 4.205 0 50 EIAA O=C(CC1CCCC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 183992734 RSUOPJYBLGDDKJ-INIZCTEOSA-N 341.373 4.186 0 50 EIAA CCc1onc(C)c1C(=O)Nc1cc2c(cc1Br)CCC2 195204581 BZVYPFYEEPUTTC-UHFFFAOYSA-N 349.228 4.049 0 50 EIAA CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)c1 225690368 CXOOGOJXUAEVCE-UKRRQHHQSA-N 325.399 4.477 0 50 EIAA CN(C(=O)c1ccc2ncoc2c1)c1nc2ccc(Cl)cc2s1 252488757 IYDDIGOGIXRTDD-UHFFFAOYSA-N 343.795 4.368 0 50 EIAA COc1ccc(NC(=O)COc2cccc3c2ccn3C(C)C)cc1 253412274 QKZLHFSBTHJWAZ-UHFFFAOYSA-N 338.407 4.248 0 50 EIAA COc1cc(NC(=O)Nc2ccc(SC)cc2)cc(OC)c1OC 355221102 ATHZFXQKMOFFKN-UHFFFAOYSA-N 348.424 4.078 0 50 EIAA OC[C@@H]1C[C@H](N[C@@H]2CCCOc3cc4c(cc32)CCC4)c2ccccc21 364924603 BAANNAJBSCDOKI-WTOYTKOKSA-N 349.474 4.200 0 50 EIAA CC[C@H](C)n1ncc(N[C@H](C)c2cccc(N3CCOCC3)c2)c1C 477930555 WQWHJRZUJPZFAD-JKSUJKDBSA-N 342.487 4.172 0 50 EIAA CCCC[C@@H](NC(=O)COc1ccccc1Cl)c1cccnc1 822830955 ZFVYSKBGCNVPRQ-MRXNPFEDSA-N 332.831 4.162 0 50 EIAA CCc1cc2c(-c3ccccc3)cc(=O)oc2c(-c2cc[nH]n2)c1O 823508231 UODZAXKZVSTZMJ-UHFFFAOYSA-N 332.359 4.118 0 50 EIAA O=C(c1ccccc1Cl)N1CCC2(CC1)OCCc1sccc12 1704338734 YCCVNJSKGMRZCF-UHFFFAOYSA-N 347.867 4.106 0 50 EIAA CSCc1nnc2sc(COc3cc(C)ccc3C(C)C)nn12 1775972321 VDJIQZLZISTHKU-UHFFFAOYSA-N 348.497 4.060 0 50 EIAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CCC[C@@H]1C1(O)CC1 1857683068 AXTCGBUHXWBXCQ-QGZVFWFLSA-N 345.826 4.038 0 50 EIAA NC1(c2noc(-c3ccnc4c(C(F)(F)F)cccc34)n2)CCCC1 2325788865 NFIBBRGVEQZLKA-UHFFFAOYSA-N 348.328 4.032 0 50 EIAA Fc1ccc([C@H]2CCC[C@@H]2Nc2cnn(-c3ncccc3F)c2)cc1 2325827599 KXASDOQQZQRNFR-AEFFLSMTSA-N 340.377 4.294 0 50 EIAA COc1ccc(OC)c(CN2CCC3(C=Cc4ccccc43)CC2)c1 217203 CWAKYDNZTHLWPV-UHFFFAOYSA-N 335.447 4.264 0 50 EIAA CCOC(=O)[C@@H]1CCCN(c2cc(C)c3cccc(SC)c3n2)C1 228054 IAVVTAZPWSYZIU-CQSZACIVSA-N 344.480 4.045 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 465398 OTLPFTROIJAIAA-UHFFFAOYSA-N 344.842 4.348 0 50 EIAA O=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 472282 XWUCUHVYVLNCOO-UHFFFAOYSA-N 327.383 4.469 0 50 EIAA Cc1cc2c3c(c1)[C@]1(Nc4ccccc4CO1)C(=O)N3C(C)(C)C[C@H]2C 1063583 PIACQVUHEZGCDQ-JLCFBVMHSA-N 348.446 4.423 0 50 EIAA O=C(NCCc1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1186872 PRWAORINXOOJTM-QFIPXVFZSA-N 341.454 4.352 0 50 EIAA Cc1ccc(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1 2606412 STTSFIGNYHKPEO-UHFFFAOYSA-N 348.398 4.242 0 50 EIAA CCCCC[C@@H](NC(=S)c1ccccc1)n1nnc2ccccc21 5308824 FBEMLILGZUTPBV-SFHVURJKSA-N 338.480 4.476 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)Cc1noc(-c2ccccc2C)n1 16578497 YOPHKMLPNVPTRN-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA O=C(NC1CCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 20100382 JQILAXGVERZQGE-UHFFFAOYSA-N 334.891 4.001 0 50 EIAA CC(C)C(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 20271479 OXMFAYNLBIEOTQ-AWEZNQCLSA-N 335.856 4.144 0 50 EIAA C[C@@H](O)c1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c1 72127343 ISWFXXHDNAKTDF-CQSZACIVSA-N 344.418 4.290 0 50 EIAA c1ccc(C2(c3ccccc3)C[C@H]2CN2CC(c3ccncc3)C2)cc1 72142956 VZNZERIOBMILGO-QHCPKHFHSA-N 340.470 4.487 0 50 EIAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1C[C@@H]2CCC[C@H]1C2 82125818 BLVMCZDRXMYRHM-QAPCUYQASA-N 331.419 4.016 0 50 EIAA Cc1cc(F)cc2[nH]c(C(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)cc12 170631066 LXNHWEMYAUOYTE-FZKQIMNGSA-N 346.446 4.187 0 50 EIAA Cc1ccc(-c2nc(CCNC(=O)c3ccc(C)cc3F)co2)cc1 176374069 OMPCXHJGWSWZLO-UHFFFAOYSA-N 338.382 4.070 0 50 EIAA COc1cc(Cl)cc(CN2CCC(c3ccncc3)CC2)c1OC 216549747 PNVLUQPNDDHGHL-UHFFFAOYSA-N 346.858 4.132 0 50 EIAA CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CC[C@@H]1c1ccccc1 248445917 FJNHFCITVZZESI-BJZITVGISA-N 339.483 4.172 0 50 EIAA C[C@]12CC3(CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12)OCCO3 257346071 QDULKIPGHAIXOR-JHQBWLJPSA-N 334.500 4.133 0 50 EIAA CSc1ccccc1NC(=O)N[C@H](c1cc(C)ccn1)C1CC1 299794447 KJWORASZFTZLMT-KRWDZBQOSA-N 327.453 4.385 0 50 EIAA CC(=O)Nc1ccc(C(=O)N(C)c2cccc3ccccc23)cc1F 408514494 BVJKHQXFWCSHRH-UHFFFAOYSA-N 336.366 4.214 0 50 EIAA O=C(NCc1csc2c1CCCC2)c1cnoc1-c1ccccc1 426525770 AMYLRASSHIPKOT-UHFFFAOYSA-N 338.432 4.212 0 50 EIAA COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](C3CC3)C2)c1 497348789 FWFNYZGVPWMEIT-INIZCTEOSA-N 336.435 4.311 0 50 EIAA COc1ccc(-c2n[nH]cc2CN2CCCc3ccccc3C2)cc1 513746113 OOMDWWNZXHHEFA-UHFFFAOYSA-N 333.435 4.034 0 50 EIAA CC1(C)CCc2ccccc2[C@H](NCc2cc(C(N)=O)cs2)C1 685042345 SIMFYZKNHNYTJA-QGZVFWFLSA-N 328.481 4.040 0 50 EIAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2ccc3ncccc3c2)c1 952965323 UBQVASRZSGDFHX-AWEZNQCLSA-N 345.402 4.002 0 50 EIAA CCc1nnc([C@]23CC[C@H]2CCN3Cc2cccc(C(C)(C)C)c2)o1 1857529521 MGCWFTGMTSRSMB-KKSFZXQISA-N 339.483 4.441 0 50 EIAA O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)C1CCC1 1857798648 UOCGPGQBDTVHNW-UHFFFAOYSA-N 334.375 4.424 0 50 EIAA CN(C(=O)CCc1ccc(F)c2ccccc12)c1ccc(CN)cc1 1875342345 MGMUOYSVPZHTFE-UHFFFAOYSA-N 336.410 4.033 0 50 EIAA COc1c(Cl)cccc1-c1noc(-c2ccc3cncn3c2C)n1 2325855334 SVJMMBBHAVFADB-UHFFFAOYSA-N 340.770 4.022 0 50 EIAA Cc1cc(C(F)(F)F)cc(N2CCC[C@@H]2C(=O)Nc2ccccc2)n1 2325869247 DZCKNBYMKYCJCD-OAHLLOKOSA-N 349.356 4.016 0 50 EIAA C[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C(=O)O)C1 91501 NTEUUFPJLRNUGN-STUBTGCMSA-N 347.461 4.285 0 50 EIAA Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)nc3ccccc23)cc1 308336 ULQFPEMJHTVCCE-HNNXBMFYSA-N 333.387 4.280 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 456524 VNTNXMCVRXASPE-UHFFFAOYSA-N 337.206 4.228 0 50 EIAA CSc1nc2sc3c(c2c2nncn12)CC[C@@H](C(C)(C)C)C3 458815 INCVBNZZXVBJKS-SECBINFHSA-N 332.498 4.212 0 50 EIAA CCC(=O)N(C(=O)CC)c1cc2oc3ccccc3c2cc1OC 4041528 ZESBYDIWBSXLAD-UHFFFAOYSA-N 325.364 4.274 0 50 EIAA CC1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 4543225 YCAOTWRDUOUQRW-UHFFFAOYSA-N 336.646 4.284 0 50 EIAA C[C@H](c1ccccc1)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 4724433 XFICHPYFLQLHLL-CYBMUJFWSA-N 327.383 4.296 0 50 EIAA CCOc1ccccc1C(=O)Nc1nnc(S[C@H](C)CC)s1 6701618 BQSXFAMFAFBXAG-SNVBAGLBSA-N 337.470 4.080 0 50 EIAA CC[C@H]1CN(C(=O)NCc2ccccc2)c2cc(Cl)ccc2O1 6843061 NVHKGQQEXSBGIK-HNNXBMFYSA-N 330.815 4.227 0 50 EIAA CC[C@@H](C)Oc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 7342055 FUKKJPDJIVPUIP-IUODEOHRSA-N 339.391 4.067 0 50 EIAA O=C(CCC1CCCCC1)NCc1nc(-c2ccc(Cl)cc2)no1 7759646 WGPGAENTZIWAHK-UHFFFAOYSA-N 347.846 4.367 0 50 EIAA CC(C)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 8428617 VWLMPVQZMQLVJI-UHFFFAOYSA-N 330.472 4.033 0 50 EIAA CCN1CCC(N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 11821496 ZCAUEWMCBJHBIE-HXUWFJFHSA-N 329.532 4.171 0 50 EIAA OC[C@]1(CCc2ccccc2)CCCN(CCCC(F)(F)F)C1 12507319 YXWZFJDIKZHRQM-KRWDZBQOSA-N 329.406 4.036 0 50 EIAA Cc1cccnc1NC(=O)C(C)(C)Oc1cc(Cl)ccc1Cl 13331706 XHUFFHGOMUFJAW-UHFFFAOYSA-N 339.222 4.493 0 50 EIAA CC(=O)c1cc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)cs1 20166182 BZEWFNNOTXCZNW-LJQANCHMSA-N 342.508 4.047 0 50 EIAA CCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 27641243 YRFLKMLJQWGIIZ-APRRXLQMSA-N 338.488 4.072 0 50 EIAA in-vitro NC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 41054890 PWAZOENWZJKKPC-UHFFFAOYSA-N 331.297 4.096 0 50 EIAA O=C(CCC(F)(F)F)N1CCC[C@@H](CCc2cccc(F)c2)C1 65408092 NKRVYYQHNDWJFY-AWEZNQCLSA-N 331.353 4.339 0 50 EIAA CN1C(=O)CC[C@H]1Cn1ccnc1-c1cccc2c1oc1ccccc12 72426303 UEAFLZXAECRLLQ-AWEZNQCLSA-N 345.402 4.070 0 50 EIAA CCC[C@@H](C)NC(=O)Nc1ccc(OCCc2ccccn2)cc1 96133722 OWHGYHUMOMQGDE-OAHLLOKOSA-N 327.428 4.013 0 50 EIAA CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc(F)cc2[nH]cnc12 112672773 IOVHFWMCWBQGFA-GOSISDBHSA-N 325.387 4.171 0 50 EIAA CC(=O)N1CCC[C@@H](c2nc(-c3cc(F)ccc3F)c(C)s2)C1 127800401 JHYZBWUUGFLZOJ-GFCCVEGCSA-N 336.407 4.123 0 50 EIAA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1CC=CC[C@H]12 135879200 CHFLANURWLKBDG-FUAUIPCOSA-N 344.065 4.230 0 50 EIAA Cc1nc(C)c(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)o1 174799226 HAFUKWACQLSPMH-UHFFFAOYSA-N 347.484 4.065 0 50 EIAA CNC[C@@H]1CCN(C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)C1 178966935 ZAUCAOFJQHERBM-ZDUSSCGKSA-N 348.899 4.058 0 50 EIAA CCOc1cc(C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 216822396 KEXJBAUKQVQGIG-UHFFFAOYSA-N 340.206 4.070 0 50 EIAA Cc1nc([C@H](C)NC(=O)CSCc2ccccc2C)c(C)s1 223044573 MFBNSFGDPHLSOW-LBPRGKRZSA-N 334.510 4.179 0 50 EIAA c1ccc2oc(CCNc3ncnc4c3oc3ccccc34)nc2c1 241435119 NKUGTFXVAHABRY-UHFFFAOYSA-N 330.347 4.172 0 50 EIAA CCCOc1ccc(CNC(=O)CCCc2csc(C)n2)c(C)c1 252490143 KKCYGUMZYAQAKH-UHFFFAOYSA-N 346.496 4.188 0 50 EIAA CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccccc1 252495247 OOJGBTJVRBHWIK-UHFFFAOYSA-N 325.799 4.460 0 50 EIAA C[C@@H](Sc1ccc(N)cc1)C(=O)OCc1cccc2cccnc12 253431174 UGXXBTWOKFJSLO-CYBMUJFWSA-N 338.432 4.041 0 50 EIAA Cc1ccc2cnn(COCC[Si](C)(C)C)c2c1Br 253533264 LTEFXOFWTSSNRJ-UHFFFAOYSA-N 341.325 4.420 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(F)c(Cl)c1Cl 263500698 KTDGCVJCJJVZAF-WQAKAFBOSA-N 346.229 4.350 0 50 EIAA CCOc1ccc([C@@H](CC)NC(=O)N(C)Cc2ccnc(C)c2)cc1 534653027 VOUOLYRBQMILAK-LJQANCHMSA-N 341.455 4.081 0 50 EIAA CN(C(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1Cl 906029252 YNWRTJUTIMYKOK-GFCCVEGCSA-N 325.811 4.181 0 50 EIAA CCCOc1c(Cl)cccc1NC(=O)C[C@H](C)n1ccnc1C 1506412827 FEIDFYXZNLUZHW-LBPRGKRZSA-N 335.835 4.224 0 50 EIAA O=C(Cc1ccccc1C(F)(F)F)NC[C@H]1CC[C@@H]2CCC[C@@H]21 1857677174 YPAZNAXCOVVTNB-CFVMTHIKSA-N 325.374 4.190 0 50 EIAA Cc1cc(C(=O)N2CCCO[C@@H](c3ccccc3Cl)C2)ccc1F 1875268682 AZGOIXZHKPUKSY-GOSISDBHSA-N 347.817 4.391 0 50 EIAA Cc1cc2c(cc1C)[C@@H](c1cc3c(cc1Cl)OCO3)CC(=O)N2 88901 RISOLTAHTLTNDH-LLVKDONJSA-N 329.783 4.160 0 50 EIAA COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 355403 KZBRCQVQYZVOAM-UHFFFAOYSA-N 330.771 4.286 0 50 EIAA Cc1cc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)no1 467656 AAPGGKLFVOWVRS-UHFFFAOYSA-N 346.770 4.369 0 50 EIAA COc1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 488977 LEAUMJSWZDOJFE-UHFFFAOYSA-N 330.767 4.342 0 50 EIAA biogenic CCCCc1cc(=O)oc2c(C)c(OC(=O)c3ccco3)ccc12 2114878 HKOMFPDONASGQU-UHFFFAOYSA-N 326.348 4.256 0 50 EIAA biogenic Clc1cc(Br)ccc1OCCCCN1CCCC1 3003576 NACRHXCTMVGVGI-UHFFFAOYSA-N 332.669 4.357 0 50 EIAA Cc1cc(C)cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 4033006 ZNOCQRYGJDKELU-UHFFFAOYSA-N 342.402 4.265 0 50 EIAA COCC[C@H]1CCCCN1Cc1nc(-c2ccccc2OC)oc1C 15064501 DDIHINILDRXDRK-MRXNPFEDSA-N 344.455 4.050 0 50 EIAA Brc1ccccc1[C@@H]1NCCc2c1[nH]c1ccccc21 19608353 DJFBBNZOXCQBNF-INIZCTEOSA-N 327.225 4.166 0 50 EIAA CCOc1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1 55543520 PUBBQUARILEKMY-UHFFFAOYSA-N 330.859 4.061 0 50 EIAA Cc1cccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c1 65363162 NCDDZJUGXRHNHE-UHFFFAOYSA-N 333.395 4.481 0 50 EIAA Cc1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)cs1 65386596 CIRKGGKQOVOPAP-INIZCTEOSA-N 343.839 4.019 0 50 EIAA COc1ccc(OC)c(-c2nc(Cn3cnc4ccccc43)c(C)o2)c1 67784339 CXSFCRMZEYUGMB-UHFFFAOYSA-N 349.390 4.065 0 50 EIAA CCCn1nccc1C(=O)N1CCC[C@H](CCc2ccccc2C)C1 71385658 AZYUGBNJIUVKTL-GOSISDBHSA-N 339.483 4.087 0 50 EIAA OCCCCN1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 72144077 HCEQBEBRLLOVDD-MRXNPFEDSA-N 329.406 4.123 0 50 EIAA Cc1c(CN2CCC[C@@H](Cn3ccnc3)C2)[nH]c2c(Cl)cccc12 72149771 CHPLHPLBHHJHHV-OAHLLOKOSA-N 342.874 4.238 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H]2c2cccnc2)c2ccc(F)cc2n1 82107632 PQRPZABQCLPUKM-IBGZPJMESA-N 335.382 4.055 0 50 EIAA Clc1ccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c2ncccc12 151345897 RPNYSFAYEIATJC-KDOFPFPSSA-N 348.899 4.033 0 50 EIAA Cc1cccnc1[C@H](NC(=O)N[C@H]1CCc2cc(F)ccc21)C(C)C 172067279 XOYMHSKGLCGDHJ-ZWKOTPCHSA-N 341.430 4.213 0 50 EIAA Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)n(C)n2)c1C 174283793 QOMAWXZRKLYIPH-SFHVURJKSA-N 325.456 4.138 0 50 EIAA Cc1cc([C@@H](C)NCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)s1 194562306 AUGQHSPAQWXROH-SNVBAGLBSA-N 347.509 4.131 0 50 EIAA C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 252693161 BFKPXLDFMBGVDL-LBCMOLISSA-N 342.479 4.162 0 50 EIAA biogenic C[C@@H](Oc1ccccc1NC1CCC(C(=O)O)CC1)C(F)(F)F 263427592 RBKQHIGNIIKWLE-VOMCLLRMSA-N 331.334 4.072 0 50 EIAA CCOC1(c2nc(-c3cccc(NC(=O)C(C)C)c3)no2)CCCC1 289000986 NZBKRRTUQDTOHA-UHFFFAOYSA-N 343.427 4.137 0 50 EIAA Cn1ccnc1-c1cccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1 426477514 FVDUXNUFSLTTDU-DYESRHJHSA-N 337.467 4.128 0 50 EIAA Cc1nc(C2CCN(Cc3cccc4c3oc3ccccc34)CC2)n[nH]1 825261518 BNYMWVZNRORNMP-UHFFFAOYSA-N 346.434 4.392 0 50 EIAA CCc1nnc([C@H]2CCCN(Cc3ccc(OC)c(Cl)c3)[C@H]2C)o1 952852991 UMGYQKZNGAELRZ-JSGCOSHPSA-N 349.862 4.062 0 50 EIAA Cc1cc(NC(=O)N[C@H](C)c2ccc(F)cc2)nn1-c1ccccc1 1476345675 IBKAKTJBZWPKCW-CQSZACIVSA-N 338.386 4.203 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)NCc2cc(-c3ccccc3)no2)cc1 1506417389 JAVDGGNMALEUBJ-UHFFFAOYSA-N 349.434 4.157 0 50 EIAA CC(C)(Nc1ccccc1)C(=O)N[C@@H]1CCNc2ccc(Cl)cc21 1875326953 NHKJTLPNKRKWLD-QGZVFWFLSA-N 343.858 4.204 0 50 EIAA CCOc1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 147179 QSOLINCLNVELIV-UHFFFAOYSA-N 333.815 4.373 0 50 EIAA Cc1ccc(S(=O)(=O)N[C@@H](C)C2C3CC4CC(C3)CC2C4)c(C)c1 189732 PXHJUOMTAWEPRU-SHNPODPLSA-N 347.524 4.043 0 50 EIAA O=c1oc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12 303035 XFDDHIVWAHQWCN-UHFFFAOYSA-N 336.572 4.271 0 50 EIAA O=C(NCc1cccs1)c1cc(Br)ccc1Cl 476985 DOWWUYRINRHPSA-UHFFFAOYSA-N 330.634 4.094 0 50 EIAA O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1F 577603 UBSZMYWTAWHIAF-UHFFFAOYSA-N 337.379 4.454 0 50 EIAA CC(=O)N[C@H](c1ccc(C)cc1)c1c(OC(C)=O)ccc2ccccc12 856061 KPOQXWVQYGORQU-JOCHJYFZSA-N 347.414 4.299 0 50 EIAA Cc1ccc(-c2nnc(NC(=O)N(C)Cc3ccc(C)o3)s2)cc1 23619960 KMWCKAVWQVLJOA-UHFFFAOYSA-N 342.424 4.079 0 50 EIAA CSc1ccc(CN(C(=O)c2ccc(C(C)=O)s2)C2CC2)cc1 55342674 SWOSQBCPCIMOJK-UHFFFAOYSA-N 345.489 4.477 0 50 EIAA Cc1cc2c(-n3ccnc3-c3ccc(F)c(F)c3F)cccc2nn1 67688944 JIVWULPMDRUHQK-UHFFFAOYSA-N 340.308 4.208 0 50 EIAA CCN(Cc1ccncc1)Cc1c[nH]nc1-c1cc2ccccc2o1 72417964 HWSUHOLSRMGHBO-UHFFFAOYSA-N 332.407 4.240 0 50 EIAA Cc1nc(C)c(-c2cc(NCc3cccnc3)nc3[nH]ccc23)s1 72458180 VRMPWAUOPFLTLK-UHFFFAOYSA-N 335.436 4.310 0 50 EIAA Cc1ccccc1[C@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 77452624 WEHXPWSPNWQOCZ-IBGZPJMESA-N 332.451 4.019 0 50 EIAA CC(C)N(CCOC(=O)[C@H](c1cccs1)[C@@H]1C=CCC1)C(C)C 96028073 WQQMRGJZJZVYOZ-AEFFLSMTSA-N 335.513 4.460 0 50 EIAA Cc1nc2n(n1)[C@@H](c1ccccc1Cl)C=C(c1ccc(F)cc1)N2 100716854 APDZLMQBVSPXOO-QGZVFWFLSA-N 340.789 4.435 0 50 EIAA COc1ccc(C(=O)Nc2cccnc2-c2ccccc2)cc1OC 152674620 DGPPQAQDHZKFHO-UHFFFAOYSA-N 334.375 4.018 0 50 EIAA COc1cccc2cc([C@@H](C)Nc3cccc(C[S@@](C)=O)c3)oc12 170592776 JHZINDINNQXVGC-YEBMWUKDSA-N 343.448 4.493 0 50 EIAA O=C(NCc1nc2cccnc2[nH]1)N(c1ccccc1)c1ccccc1 170606645 PDMYSYVWIGFWDL-UHFFFAOYSA-N 343.390 4.006 0 50 EIAA O=C(CCN1CCCC[C@H]1c1nccs1)Nc1ccccc1Cl 195439849 NHHBHYAKSFVDGZ-HNNXBMFYSA-N 349.887 4.352 0 50 EIAA Cn1ccnc1[C@@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1 216111607 KLLQXYDMVSOXJS-OAHLLOKOSA-N 340.858 4.001 0 50 EIAA Cc1nc(-c2ccccc2)sc1CNc1cccc(C(N)=O)c1C 225420671 CETOBSZISUPSGH-UHFFFAOYSA-N 337.448 4.138 0 50 EIAA Cc1ccccc1-c1cnc(CN2CCC[C@](O)(c3ccccc3)C2)o1 859586155 HRUILCMFIVBVJZ-JOCHJYFZSA-N 348.446 4.134 0 50 EIAA CC1(C)C[C@@]1(C(=O)Nc1cccc(-n2cccn2)c1)c1cccs1 952967686 BNUVMTBFJVGCBW-IBGZPJMESA-N 337.448 4.240 0 50 EIAA COCCn1nc(CC2CC2)nc1-c1sc2cccc(F)c2c1C 1875349505 ZSTKZYYETNLNEW-UHFFFAOYSA-N 345.443 4.206 0 50 EIAA CCC[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(Oc2ccccc2)cc1 2325822057 AGAMSQIZZQNIQA-XLIONFOSSA-N 338.451 4.140 0 50 EIAA CCCN1CCC[C@]2(CCCN2Cc2ccc(C)cc2Cl)C1=O 2356136022 DCQQRXHEFNVVMR-IBGZPJMESA-N 334.891 4.015 0 50 EIAA O=C(c1ccccc1)c1ccccc1C(=O)N1CCc2ccccc2C1 106992 VRMLJHCXCXXLCP-UHFFFAOYSA-N 341.410 4.116 0 50 EIAA COc1ccc(-c2cc(=O)oc3cc(OC(C)=O)c(Cl)cc23)cc1 451534 QGSYGXQXEUKCMT-UHFFFAOYSA-N 344.750 4.047 0 50 EIAA biogenic CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1 617063 LTWKYQOKFBYEAD-OAHLLOKOSA-N 345.468 4.382 0 50 EIAA CCOC(=O)c1cc(C)sc1NC(=O)Cc1ccccc1Cl 2730517 FNIPOLNVCXPRHG-UHFFFAOYSA-N 337.828 4.068 0 50 EIAA Cc1cc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc(C)c1Cl 2764770 IFUJJPWGDUNZTH-HNNXBMFYSA-N 343.854 4.309 0 50 EIAA Cc1ccc([C@H](C)NC(=O)c2ccn(COc3ccccc3)n2)c(C)c1 2800438 GPEHKRCXWIVZQB-KRWDZBQOSA-N 349.434 4.027 0 50 EIAA CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)Nc2nccs2)N1 3859116 QIZIAFGIOMEBSW-BOPFTXTBSA-N 349.459 4.200 0 50 EIAA Cc1ccc(Cn2c(S)nnc2Cc2c(F)cccc2Cl)cc1 6413444 AIZNVWNZXCDAFZ-UHFFFAOYSA-N 347.846 4.307 0 50 EIAA C[C@H]1CCCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 6698769 CWDSOGKEOLANEU-JTQLQIEISA-N 334.769 4.172 0 50 EIAA CC[C@H](C)NC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C 20573023 WKDYJNKUFDJADV-NSHDSACASA-N 334.851 4.122 0 50 EIAA Cn1ncc2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 20604872 TUFJLSINXSBIFP-UHFFFAOYSA-N 335.373 4.455 0 50 EIAA Clc1ccc(OCCCCCCN2CCOCC2)c(Cl)c1 23550155 NCJHQMVCUJILNB-UHFFFAOYSA-N 332.271 4.265 0 50 EIAA CC(=O)Nc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1 64801173 UPPGLJSEVACQPP-UHFFFAOYSA-N 339.443 4.232 0 50 EIAA Cc1nc(C)c(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)s1 71775484 PCDZMJMECTZOHQ-MRXNPFEDSA-N 346.471 4.384 0 50 EIAA O=C(Nc1cccc(O)c1F)c1cccc(OC2CCCCC2)c1 128424678 MKMFTGFXKJRXGH-UHFFFAOYSA-N 329.371 4.495 0 50 EIAA FC1(F)CCN(c2ccc(C(F)(F)F)c(Br)c2)C1 169725651 ZLXKDXVKLDLRMX-UHFFFAOYSA-N 330.094 4.313 0 50 EIAA Cc1nc(C)c(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)o1 175750409 GIXIBGYNXMPERF-UHFFFAOYSA-N 332.403 4.106 0 50 EIAA Cc1nc2c(s1)[C@H](N(C)C(=O)Cc1ccc(Cl)s1)CCC2 193634378 REJXSSCMYZNXGB-GFCCVEGCSA-N 340.901 4.245 0 50 EIAA COc1ccccc1-c1nc(=S)[nH]n1-c1nc2ccccc2s1 212411274 ZBLGNCGHRRXWRM-UHFFFAOYSA-N 340.433 4.215 0 50 EIAA FC(F)(F)[C@@H](NCc1ccnc(OCC2CC2)c1)c1ccccc1 225573881 BJIBQJZRQAJCJE-KRWDZBQOSA-N 336.357 4.264 0 50 EIAA C[C@@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O 253500751 USGKSIJYOHEDEV-RISVGRPXSA-N 330.468 4.261 0 50 EIAA Cc1nc(-c2ccccc2)sc1[C@@H](C)NC1CCC(C(=O)O)CC1 263433690 SZEIBNVCKDJNSM-UWTIGNOOSA-N 344.480 4.413 0 50 EIAA C[C@@H]1CC[C@H](Sc2nnc(-c3ccncc3)n2CC(F)(F)F)C1 272375950 CQMNCCWEBQXMRJ-PWSUYJOCSA-N 342.390 4.183 0 50 EIAA O=C(Nc1ccccc1Oc1ccccc1F)N[C@H]1CC[C@H](O)CC1 299799470 RXMFDNJRELBECB-HDJSIYSDSA-N 344.386 4.043 0 50 EIAA C[C@H]1C[C@@H](C)C[C@H](c2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)C1 329566297 HLJMFMJJCJBRSD-YRVYGCIDSA-N 327.428 4.250 0 50 EIAA Cc1ccc(OC(F)F)c([C@@H](C)NCc2nnc(C3CC3)s2)c1 414323569 JBILRVCDICDHCC-SNVBAGLBSA-N 339.411 4.176 0 50 EIAA C[C@H](c1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1)N1CCCC1 426552382 UYAIXCDGKAKBSO-OAHLLOKOSA-N 335.451 4.488 0 50 EIAA O=C(Nc1cc(F)c(F)c(F)c1)c1cc(-c2ccc(F)cc2)on1 474675814 KOVQKIYRDXCSKH-UHFFFAOYSA-N 336.244 4.150 0 50 EIAA COCc1nccc(N2CCCC[C@H]2c2nc(C(C)(C)C)cs2)n1 892193099 USAKPQIBUHZKSK-ZDUSSCGKSA-N 346.500 4.109 0 50 EIAA Cc1ccc(NC2(C(=O)N(C)Cc3ccoc3)CCCCC2)cc1 952978463 CMHJINCGQWOYRN-UHFFFAOYSA-N 326.440 4.361 0 50 EIAA COc1cc(C(=O)N[C@]2(C)CC[C@H](C)C2)ccc1OC1CCCC1 1875356178 IIUGQQFTGVQURN-VBKZILBWSA-N 331.456 4.325 0 50 EIAA COc1cc2ccccc2cc1-c1nnc(COc2ccccc2)o1 105253 SBNWSDNMCWPQOP-UHFFFAOYSA-N 332.359 4.477 0 50 EIAA Cc1ccc(OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 348756 OUGGUAJHBJJJDW-UHFFFAOYSA-N 331.371 4.467 0 50 EIAA CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 357231 HJNRFAARVFDRRL-UHFFFAOYSA-N 342.489 4.438 0 50 EIAA Nc1ccc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)cc1 1081160 BEKFRNOZJSYWKZ-UHFFFAOYSA-N 334.263 4.262 0 50 EIAA in-vitro Cc1cccc2sc(NC(=O)CCCOc3ccccc3)nc12 2865491 NEIOVRZWFRNILV-UHFFFAOYSA-N 326.421 4.402 0 50 EIAA Brc1ccccc1OCCOc1cccc2cccnc12 2985698 XNAGQBNTHBRSET-UHFFFAOYSA-N 344.208 4.455 0 50 EIAA Cc1nn(Cc2cccc(C(=O)NC3CCCCC3)c2)c(C)c1Cl 3638844 CIAAMIQKWXXCEM-UHFFFAOYSA-N 345.874 4.264 0 50 EIAA COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)OCC2 4788741 YRVUMXDFQMCLIE-KRWDZBQOSA-N 349.224 4.128 0 50 EIAA Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 4842855 BIJQDVYXAXORJS-MRXNPFEDSA-N 336.435 4.262 0 50 EIAA CSc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 12227870 IFROUXZTWMUQPG-OAQYLSRUSA-N 341.520 4.226 0 50 EIAA O[C@@H](CNCc1ccc(OCc2ccccc2)cc1)c1ccccc1 16480403 PJFCCGOBCVOMPV-QFIPXVFZSA-N 333.431 4.089 0 50 EIAA Cc1ccccc1NC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 16552180 YOUXMZPLJGUHTR-UHFFFAOYSA-N 337.423 4.265 0 50 EIAA Cc1ccc(C)c(-c2nc(NC(=O)c3cc(C)on3)sc2C)c1 16602360 MVFNVBYPIOWBNM-UHFFFAOYSA-N 327.409 4.284 0 50 EIAA CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 19045923 GTRFOIQYWBEEMP-UHFFFAOYSA-N 331.243 4.051 0 50 EIAA Brc1cccc([C@@H]2NCCc3c2[nH]c2ccccc32)c1 22018215 JLLIXGNATVZMLM-INIZCTEOSA-N 327.225 4.166 0 50 EIAA COc1ccc(-c2nccn2[C@@H](C)c2ccc(O)cc2)c(OC)c1C 67820370 PFOUUFSGGWCQGX-AWEZNQCLSA-N 338.407 4.191 0 50 EIAA CC(C)(C)OC(=O)N1CCC(c2n[nH]c3ccc(Cl)cc23)CC1 72194188 DFBFBODVZGLTNT-UHFFFAOYSA-N 335.835 4.331 0 50 EIAA in-vitro Cc1cc(C(=O)N(C)C2CCSCC2)c2ccc(C)c(C)c2n1 77457487 DLGVMKOOANNXPW-UHFFFAOYSA-N 328.481 4.128 0 50 EIAA CCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc(SC)cc2)C1 91493206 XTSZYEMHRPXFEO-AWEZNQCLSA-N 344.484 4.036 0 50 EIAA Cc1cc2cccc(NC(=O)N(Cc3cnn(C)c3)CC(C)C)c2o1 96151468 NMNZYCXTAYBTMR-UHFFFAOYSA-N 340.427 4.165 0 50 EIAA Cc1ccc(-c2cccc(CN3CCO[C@H](c4cccnc4)C3)c2)o1 97784984 NMUKRAQSOWCZRZ-NRFANRHFSA-N 334.419 4.224 0 50 EIAA O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1C[C@H]2CC[C@H]1C2 102076437 CBEPJZNTVDFFGP-WMZOPIPTSA-N 346.430 4.238 0 50 EIAA CN(Cc1nccs1)C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 175827222 BTWTXFOEEWGFFQ-UHFFFAOYSA-N 349.504 4.056 0 50 EIAA O=C(Nc1cc2c(cc1Cl)OCCCO2)c1coc(C2CCC2)n1 193913302 WRBMPHUANHMPGM-UHFFFAOYSA-N 348.786 4.009 0 50 EIAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)c1cccc(O)c1 194955704 RGKVBYGSOFLQSW-GHMZBOCLSA-N 341.377 4.180 0 50 EIAA Cc1ccc([C@@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)cc1C 252444157 GPKDYWJVQIPDGQ-HZPDHXFCSA-N 342.508 4.161 0 50 EIAA O=C(NCc1cnc(Cl)s1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 253630156 ROPZUQNWEXYQOQ-DTWKUNHWSA-N 345.226 4.009 0 50 EIAA COCC1(N(C)C(=O)c2ccc(-c3ccc(Cl)cc3F)cc2)CC1 426387318 RSWAVSYDURKTBQ-UHFFFAOYSA-N 347.817 4.397 0 50 EIAA CCOc1ccc(-c2nc(-c3ccnn3C)cs2)cc1OCC 653473307 ZCQAXTWXDOTVNC-UHFFFAOYSA-N 329.425 4.008 0 50 EIAA Cc1nscc1-c1nnc(-c2cc(F)ccc2Br)o1 1322410644 SKINVPHZOSBZDH-UHFFFAOYSA-N 340.177 4.070 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)Nc1nnc(C(F)(F)F)s1 1775989015 ZGVIAUBXVDZXHE-UHFFFAOYSA-N 336.726 4.163 0 50 EIAA Cc1ccc(-c2noc([C@@H]3[C@H](C(F)(F)F)[C@H]4CC[C@H]3O4)n2)c(F)c1 1775999552 OMHLNOIGZXXFPF-FVCCEPFGSA-N 342.292 4.007 0 50 EIAA Cc1ccc2oc(-c3cc(NC(=O)c4cccnc4)ccc3O)nc2c1 267477 FXWZVJDJJBCFKR-UHFFFAOYSA-N 345.358 4.156 0 50 EIAA Cc1ccc(SCC(=O)Nc2cccc(Br)c2)cc1 287997 ORNVKBUBMHKDMN-UHFFFAOYSA-N 336.254 4.488 0 50 EIAA COc1ccc(C(=O)CSc2nc3ccccc3s2)cc1OC 3370257 MSVFLIPROBDPFW-UHFFFAOYSA-N 345.445 4.289 0 50 EIAA COc1ccccc1CCNC(=O)Nc1cccc(Cl)c1Cl 5041971 XFTBUDSEECJLNB-UHFFFAOYSA-N 339.222 4.366 0 50 EIAA CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 12757191 WQHGZBFOVDTXEX-OAHLLOKOSA-N 348.899 4.138 0 50 EIAA OCCn1ccc(-c2cccc(-c3ccc4oc(C5CC5)nc4c3)c2)n1 19939764 CRLOAWGGDPLWOA-UHFFFAOYSA-N 345.402 4.228 0 50 EIAA Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 44933445 HLRUYZKEMHHGNX-GOSISDBHSA-N 336.479 4.084 0 50 EIAA C[C@H](c1cncs1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67842795 NLUGHSNEJUWNRD-CQSZACIVSA-N 349.463 4.046 0 50 EIAA c1ccc(CN(Cc2ccccc2)C2CCC3(CC2)OCCO3)cc1 91301364 NSGRBUYEPGOGRA-UHFFFAOYSA-N 337.463 4.375 0 50 EIAA O=C(Nc1ccccc1CCC(F)(F)F)N1C[C@@H]2CCC[C@H]2C1 126070179 QANXSWWAONEGPI-KBPBESRZSA-N 326.362 4.445 0 50 EIAA CC1(C)Cc2ccc(C(=O)N3CCC[C@@]4(CC=CCC4)C3)c(O)c2O1 170626940 MENAOTRHNHJPPC-NRFANRHFSA-N 341.451 4.068 0 50 EIAA O=C(c1cccc(C(F)F)c1)N(Cc1ccco1)C[C@@H]1CCCO1 171551568 XSBONZTYSPXUKG-INIZCTEOSA-N 335.350 4.039 0 50 EIAA Cc1cccnc1C[C@@H](C)N(C)Cc1ccc(CN2CCCC2)s1 215856105 DZCQISWZTDPXBZ-QGZVFWFLSA-N 343.540 4.110 0 50 EIAA Cn1nc(CN2CCC[C@H]2c2nccs2)c2c(Cl)cccc21 216359629 UMLJACAVDMJOCQ-AWEZNQCLSA-N 332.860 4.020 0 50 EIAA COc1ccc(N2C(=O)c3ccccc3N[C@]23C[C@H]2CC=C[C@H]23)cc1 229955802 LCYMPMHYRUSCCD-CFCCAZDESA-N 332.403 4.060 0 50 EIAA CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCC2(CCCC2)C1 822560098 VIUUPNYAGYQXQW-OAHLLOKOSA-N 328.456 4.078 0 50 EIAA COCc1ccc(CNc2nnc(C3CCC(F)(F)CC3)o2)cc1 905427144 SWYKXKRXDTZIGE-UHFFFAOYSA-N 337.370 4.121 0 50 EIAA CCOP(=O)(Cc1cccc(SC(=O)N(C)C)c1)OCC 1776004550 URCUQTWOLSDLOF-UHFFFAOYSA-N 331.374 4.226 0 50 EIAA Cc1cc(CN2CCCCC2)cc(C)c1OC[C@@H]1CC2CCN1CC2 1857692309 YTNDCUCNMPFFBX-NRFANRHFSA-N 342.527 4.152 0 50 EIAA C[C@H]1C[C@H](N=c2nc(C(F)(F)F)c3c([nH]2)CCCC3)CCC1(C)C 1875357507 JUFGSOJIYKHNHL-NWDGAFQWSA-N 341.421 4.423 0 50 EIAA C[C@H](c1ccc(-c2nc(C(F)(F)F)n(C)n2)cc1)N1CCCCC1 2100484004 YKPBSTQKZNWTAL-GFCCVEGCSA-N 338.377 4.048 0 50 EIAA C/C(=C\C(=O)OCCOc1ccc2ccccc2c1)c1cccnc1 2325738341 CZNGOIKLMFOPGS-DTQAZKPQSA-N 333.387 4.260 0 50 EIAA Cc1cc(C)c(OCC(=O)Nc2ccc(Br)cc2)c(C)c1 59672 GCSRZZPDHFCRFA-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)c(Cl)c2)cc1 612195 QKJUAPWXZICMDY-UHFFFAOYSA-N 348.786 4.169 0 50 EIAA COc1ccc(NC(=O)CCCOc2cccc(C)c2)cc1Cl 1777411 CHTFQYDJPLEPPE-UHFFFAOYSA-N 333.815 4.455 0 50 EIAA C[C@@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 5954497 FVGFBPCNUYQRDN-XMSQKQJNSA-N 347.458 4.444 0 50 EIAA Cc1cccc(Cn2nc(C)c(NC(=O)Cc3ccccc3)c2C)c1 6701804 MFJBRFVZADIDPT-UHFFFAOYSA-N 333.435 4.038 0 50 EIAA Cc1ccc2nc(SCC(=O)N(c3ccccc3)C(C)C)[nH]c2c1 8558675 FAAGFLYOESXLMA-UHFFFAOYSA-N 339.464 4.405 0 50 EIAA CC(C)[C@H](O)c1ccc2c(c1)CN(Cc1c(F)cccc1F)CCO2 11783002 ALSBFLQVGIJGNP-FQEVSTJZSA-N 347.405 4.049 0 50 EIAA CCCc1sc(C(=O)Nc2ccccn2)cc1Br 16603116 LZCWYEMYNIKUJH-UHFFFAOYSA-N 325.231 4.110 0 50 EIAA CCCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67726222 RGDJVMQZBCTXNT-UHFFFAOYSA-N 345.826 4.234 0 50 EIAA CC(C)c1nc(CN(C)C(=O)c2ccc([C@@H]3CCCN3)s2)cs1 71416260 QNFIVMWYBAFUJT-ZDUSSCGKSA-N 349.525 4.025 0 50 EIAA COc1ccc(O)cc1CN1CCC[C@@H](CCc2ccc(F)cc2)C1 71736536 KSKJWNDJMPZQIC-KRWDZBQOSA-N 343.442 4.385 0 50 EIAA Cc1cccn2cc(CNC(=O)[C@H]3C[C@H]3c3ccc(C(C)C)cc3)nc12 170636897 BZNQECARXFWASC-PMACEKPBSA-N 347.462 4.186 0 50 EIAA O=C(Nc1cccc(F)c1)N(CCN1CCCCCC1)C1CCC1 242087950 WAOKHJPVQLCKRW-UHFFFAOYSA-N 333.451 4.088 0 50 EIAA O=C(Cc1cc2ccccc2c(O)n1)N[C@@H]1CCCCC12CCCC2 333082836 MKNAZKCQFZNKBK-GOSISDBHSA-N 338.451 4.102 0 50 EIAA C[C@H](NCc1cccc(-c2cnn(C)c2)c1)C1CCC(F)(F)CC1 474066767 QEGWPUGZRIUWAL-AWEZNQCLSA-N 333.426 4.391 0 50 EIAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1onc2c1CCCC2 820996356 BVHJQWIQYGJZPY-CQSZACIVSA-N 326.440 4.040 0 50 EIAA CCOc1ccc(C2(NC[C@@H]3CCC4(CCC4)CO3)CCC2)cc1 1875405471 GUJIGIIJFYJPRO-IBGZPJMESA-N 329.484 4.403 0 50 EIAA COc1ccc(NC(=O)c2cccnc2Nc2ccc(F)cc2)cc1 109626 GWFLTBWMRRKLIN-UHFFFAOYSA-N 337.354 4.225 0 50 EIAA Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ncccc2C)cc1 351408 WBIGSHPGSSOUPQ-UHFFFAOYSA-N 327.387 4.065 0 50 EIAA COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 423612 PGNUFECXMJIBPO-UHFFFAOYSA-N 328.755 4.256 0 50 EIAA CCOC(=O)c1c(NC(=O)CCc2ccc(CC)o2)sc(C)c1C 540546 PDKNDDNVRANJIM-UHFFFAOYSA-N 349.452 4.268 0 50 EIAA Nc1nc(Nc2ccccc2F)sc1C(=O)c1ccc(Cl)cc1 1433038 BTOBGXCSBBXWHS-UHFFFAOYSA-N 347.802 4.492 0 50 EIAA CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1 1553345 QILRYFCEXLFIDS-UHFFFAOYSA-N 339.507 4.111 0 50 EIAA in-vitro O=C1c2ccc(Br)cc2-c2cc(Br)ccc21 1556208 XXZOHYHKWDLSFS-UHFFFAOYSA-N 337.998 4.423 0 50 EIAA COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)cc1 2225106 SXCCGQLAEHQRQX-UHFFFAOYSA-N 349.312 4.376 0 50 EIAA Cc1cc2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)n2n1 2802828 LBARISXQNNCZFE-UHFFFAOYSA-N 343.255 4.325 0 50 EIAA CC(C)(C)c1ccccc1OCCCn1cnc2ccccc2c1=O 2863094 BULLEMHXDLAXIW-UHFFFAOYSA-N 336.435 4.163 0 50 EIAA Cc1ccc(CSCCNC(=O)CSCc2ccccc2)cc1 2978635 WOAGLUOJEZFRMP-UHFFFAOYSA-N 345.533 4.278 0 50 EIAA C[C@@H]1C[C@@H](C)CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 3904794 ALSKJBPWZSRVLV-KURKYZTESA-N 336.479 4.133 0 50 EIAA Cc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1F 4885513 JUAXMETZBFTMNI-UHFFFAOYSA-N 327.750 4.122 0 50 EIAA CC(=O)Nc1cccc(NC(=O)Nc2ccc(Br)cc2)c1 6729052 OELGWOCVNUFINV-UHFFFAOYSA-N 348.200 4.052 0 50 EIAA Cc1cc(C)c2nc(S[C@@H](C)C(=O)N3CCCC3)cc(C)c2c1 11907459 QQDLAGGDRSXUFJ-HNNXBMFYSA-N 328.481 4.263 0 50 EIAA CCOc1ccccc1CCCNC(=O)c1ccccc1SC 13670001 RCVOYRSMXPRZOF-UHFFFAOYSA-N 329.465 4.170 0 50 EIAA CSc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 55543175 SVUDWAOQQQNFTE-UHFFFAOYSA-N 332.900 4.384 0 50 EIAA O=C(c1cc(C2CC2)no1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71761953 FEOYLARTNIBUOU-OAHLLOKOSA-N 342.414 4.176 0 50 EIAA Fc1ccc(-c2csc(N3CCC[C@H](c4cn[nH]c4)C3)n2)cc1 126678600 MOUWHDHJLONSJS-ZDUSSCGKSA-N 328.416 4.056 0 50 EIAA COc1ccncc1CN[C@@H](C)c1csc(-c2ccccc2F)n1 340402102 CEYOEKPPBPSLCM-LBPRGKRZSA-N 343.427 4.204 0 50 EIAA Cc1cccc2oc(CCNC(=O)c3ccc(C(F)F)cc3)nc12 408513015 XNMCENLBZBFASS-UHFFFAOYSA-N 330.334 4.046 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)c(C)o1 1506427826 SYBFHEBVBACOFE-KRWDZBQOSA-N 327.424 4.230 0 50 EIAA CCSCc1nnc2sc(Cc3cccc4ccccc34)nn12 1775972227 PHNOSPJFDPEXBT-UHFFFAOYSA-N 340.477 4.183 0 50 EIAA COc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2 45069 FESMALNHKGVFKV-UHFFFAOYSA-N 329.355 4.159 0 50 EIAA COc1ccc(NC(=S)Nc2cccc(Cl)c2C)c(OC)c1 307106 BPYFRQJUNUDSGM-UHFFFAOYSA-N 336.844 4.475 0 50 EIAA CCN(C(=O)COc1ccc(Br)c(C)c1)c1ccccc1 358960 DVQZASIUCNDWTP-UHFFFAOYSA-N 348.240 4.189 0 50 EIAA Cc1ccc(CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 1128806 JWRJDEZBKFHNBH-YBEGLDIGSA-N 327.380 4.371 0 50 EIAA CCOC(=O)c1cnc(-c2ccccc2)nc1NC1CCCCC1 1386414 CZNDXGBSDRIJTE-UHFFFAOYSA-N 325.412 4.065 0 50 EIAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OC)c2)cc1 1777956 PSDBBQBSZNVYNI-KPKJPENVSA-N 341.407 4.145 0 50 EIAA O=C(Nc1nccs1)c1ccccc1COc1ccc(F)cc1F 2793318 BUYOKWUAJJLJCV-UHFFFAOYSA-N 346.358 4.253 0 50 EIAA CC(=O)O[C@H]1C=C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)C1 4921395 UHKAWYVFEDUNRA-JHSHEYHPSA-N 346.511 4.488 0 50 EIAA COc1cc(CNCc2ccco2)ccc1OCCc1ccccc1 5019567 QWAMWVURMIJKOL-UHFFFAOYSA-N 337.419 4.200 0 50 EIAA CCc1ccccc1NC(=S)Nc1sc(C)cc1C(=O)OC 6286463 OORXFVDTHDFLGD-UHFFFAOYSA-N 334.466 4.214 0 50 EIAA Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(F)c2)c1 8287907 BVTRAKINXJXXCB-UHFFFAOYSA-N 340.354 4.262 0 50 EIAA O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1cccc(Cl)c1 9095225 UOVJTQMOGFODBT-UHFFFAOYSA-N 331.778 4.325 0 50 EIAA Cc1oc(-c2cc(F)ccc2F)nc1CN(C)[C@@H](C)c1ccon1 11844112 RVFZRAJBYHNQAJ-JTQLQIEISA-N 333.338 4.109 0 50 EIAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccccc2)c1 11874016 SJKNXZKKGSGFFI-HXUWFJFHSA-N 345.446 4.297 0 50 EIAA O=C(c1csc2nc(-c3ccccc3)cn12)N1CCCCCC1 11903928 HMOSFEWSYGOETB-UHFFFAOYSA-N 325.437 4.079 0 50 EIAA COc1cccc([C@@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1 12383782 QEJKVYAELWDUJO-SECBINFHSA-N 325.742 4.118 0 50 EIAA CN1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 19537100 WAQSRGPKTFZYCC-UHFFFAOYSA-N 332.532 4.125 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)c1cccnc1 29550745 NPQAWCNDVWTXAM-WOIUINJBSA-N 338.495 4.361 0 50 EIAA CC(=O)NCCn1cnc(-c2ccccc2)c1-c1ccc(Cl)cc1 65381710 GINYTUNLEOPORE-UHFFFAOYSA-N 339.826 4.007 0 50 EIAA COCc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc1F 121113433 YJZJMCDQXWZIGE-QGZVFWFLSA-N 331.387 4.323 0 50 EIAA O=C(N[C@H]1CCCOc2ccccc21)N1CCC[C@@]2(CC=CCC2)C1 170626926 ZPXKPVZRUPWLKM-RXVVDRJESA-N 340.467 4.432 0 50 EIAA CCS[C@@H]1CCC[C@@H](NC(=O)NCc2nc3ccccc3s2)C1 175500707 KZEHHHWZGLEMNH-CHWSQXEVSA-N 349.525 4.160 0 50 EIAA O=C(Nc1ccnn1-c1ccccc1)c1ccc(F)cc1C(F)(F)F 178290631 NLBCPYXTBLFKFC-UHFFFAOYSA-N 349.287 4.283 0 50 EIAA c1cc(C2CCN(Cc3cc(CN4CCCC4)cs3)CC2)ccn1 214970980 DWTCGBOBLGOOAD-UHFFFAOYSA-N 341.524 4.119 0 50 EIAA CC(C)c1noc([C@H](C)N[C@@H](CN(C)Cc2ccccc2)C(C)C)n1 252536907 JTCSSKWSNMLIMV-WMZOPIPTSA-N 344.503 4.000 0 50 EIAA O=C(Nc1nc(C2CCOCC2)cs1)N[C@H]1C[C@H]1C1CCCCC1 332832339 SUMORCWBVPCTPR-GJZGRUSLSA-N 349.500 4.127 0 50 EIAA O=C([C@@H]1OCCc2ccccc21)N1CCC[C@@H](c2ccccc2)CC1 441813149 LQWINRFUJOMNHC-WIYYLYMNSA-N 335.447 4.097 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)Cc1noc(-c2ccco2)n1 1506404624 ZBPFPIDPYXZJPG-HNNXBMFYSA-N 326.400 4.088 0 50 EIAA Cc1nnc([C@@H]2Cc3ccccc3CN2CC=Cc2ccc(F)cc2)o1 1857532020 NZAAHWBYAOWZOL-FQEVSTJZSA-N 349.409 4.330 0 50 EIAA c1ccc(-c2nc(Nc3ccc4n[nH]cc4c3)c3ccsc3n2)nc1 1875362802 TXQVTLVROHXZSJ-UHFFFAOYSA-N 344.403 4.373 0 50 EIAA CC[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C(=O)/C=C/CN(C)C 1875376911 MRWJCXLMRLKHFH-LFAOLKIESA-N 329.271 4.021 0 50 EIAA CC[C@H](CC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1)C1CCC1 2325879811 IVEAETZFPGQZEE-GDBMZVCRSA-N 331.456 4.193 0 50 EIAA Cc1ccc(C(C)(C)C)c(OCCn2cnc3ccccc3c2=O)c1 312165 JYOOLFZOQPTTEH-UHFFFAOYSA-N 336.435 4.081 0 50 EIAA COc1cc(OC)c(NC(=O)c2ccccc2Cl)cc1Cl 398600 AONMMOPQFRGWTB-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA O=C(/C=C/c1ccc(Br)cc1)N1CCc2ccccc2C1 475925 BJLLNDQZYFGMEZ-JXMROGBWSA-N 342.236 4.047 0 50 EIAA COc1cc(NCCC(=O)c2cccs2)c(OC)cc1Cl 732270 BFWINJRRTQLOKE-UHFFFAOYSA-N 325.817 4.104 0 50 EIAA Clc1ccc([C@@H]2C[C@H](c3ccco3)n3ncnc3N2)c(Cl)c1 2842106 VSTJKGRMCFCGAH-QWHCGFSZSA-N 335.194 4.324 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)c2ccc(O[C@H](C)CC)cc2)c1 9230945 KXDGPFDACRYLRL-CQSZACIVSA-N 340.423 4.465 0 50 EIAA Clc1ccc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)s1 39371590 AERCABCMRDVEAX-SFHVURJKSA-N 338.948 4.490 0 50 EIAA CCc1sc(C(=O)O)cc1-c1ccc([C@@H](C)N2CCOCC2)cc1 67956142 POITXNVBNKJRQS-CYBMUJFWSA-N 345.464 4.069 0 50 EIAA Cc1ccnc([C@H](Nc2cc(C(C)C)nc3cc(C)nn23)C2CC2)c1 72410312 FCWGRKOMXWBRKT-HXUWFJFHSA-N 335.455 4.428 0 50 EIAA CC(C)c1nc(CN(C)Cc2ccc(-c3cc[nH]n3)s2)cs1 77301612 CYUABXJDQFFBBA-UHFFFAOYSA-N 332.498 4.350 0 50 EIAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1Cc2ccccc2-c2ccccc2C1 132512202 YEKHEQIYZKFMRW-CQSZACIVSA-N 345.446 4.339 0 50 EIAA Clc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c(Cl)n1 170616878 ZAMRVEATOKUMRL-SFHVURJKSA-N 349.261 4.062 0 50 EIAA c1cncc([C@H]2CCCCN2Cc2ccccc2Cn2cccn2)c1 215405933 RNDQYSUMVKFVLM-OAQYLSRUSA-N 332.451 4.054 0 50 EIAA Cc1cc([C@H]2CCCCN2C(=O)Cc2c(C)[nH]c3ccccc23)no1 222345265 KOJFYGTTWPKNHT-LJQANCHMSA-N 337.423 4.069 0 50 EIAA COCc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 239672521 BTOCUIJURPFASJ-HNNXBMFYSA-N 335.403 4.392 0 50 EIAA C[C@H](Oc1cccc(F)c1)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299742324 BFCOPISOZGCZOS-CQDKDKBSSA-N 334.391 4.267 0 50 EIAA Cc1noc(C)c1[C@H](C)CC(=O)N1CCc2cccc(Cl)c2C1 458008912 FJTQVWMZAOSCCS-LLVKDONJSA-N 332.831 4.023 0 50 EIAA Cc1ccccc1CCC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 504273811 GQADHGWZAWOZFC-FQEVSTJZSA-N 339.435 4.124 0 50 EIAA Cc1ccc2cc(-c3nccn3CC[C@@H]3CCCCO3)c(O)nc2c1 1857689044 CMQNGIMDPRIHOE-INIZCTEOSA-N 337.423 4.072 0 50 EIAA NCc1ccccc1-c1ccc(C(=O)N2CCC3(CC=CC3)CC2)cc1 1875313922 XZMXWUJKYZLPJM-UHFFFAOYSA-N 346.474 4.385 0 50 EIAA CCOc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 52278 XQRAAKDIXNPSJS-UHFFFAOYSA-N 344.461 4.426 0 50 EIAA O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1 115680 QWULGXCWMWRCLT-UHFFFAOYSA-N 334.784 4.221 0 50 EIAA aggregator COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 119775 CHDODAJYQOTMTK-NSHDSACASA-N 339.313 4.120 0 50 EIAA O=c1c2ccccc2c(-c2ccccc2)nn1CCc1ccccc1 127176 DJLPOIJVTSXGOS-UHFFFAOYSA-N 326.399 4.306 0 50 EIAA Cc1ccccc1Cn1cnc2sc(-c3ccccc3)cc2c1=O 132469 DRAVLHMVBAPTKB-UHFFFAOYSA-N 332.428 4.482 0 50 EIAA COc1ccc(C(=O)Oc2ccc(Br)cc2Cl)cc1 358980 KYNPLYJPRYGKIY-UHFFFAOYSA-N 341.588 4.330 0 50 EIAA Cc1ccccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 454673 CUXIZGUAQUOTFI-UHFFFAOYSA-N 326.465 4.419 0 50 EIAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 467704 LEWWUHZBXGMZNI-UHFFFAOYSA-N 330.815 4.260 0 50 EIAA O=C(CCSc1ccccc1)NCCSCc1ccccc1 2978660 FKCWTZSUPWAYJU-UHFFFAOYSA-N 331.506 4.218 0 50 EIAA CCOc1ccc(OCCOCCOc2cccc(C)c2C)cc1 2983686 QKJZEZODWSZMTI-UHFFFAOYSA-N 330.424 4.177 0 50 EIAA COc1ccc([C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 4903833 IBSGQZGWUCTPMN-LFPRZYRFSA-N 327.468 4.479 0 50 EIAA COc1ccc(OC)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 5600112 RAXNVICOPBUQSN-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CC(C)(C)C(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 55552681 HOOOHOLDDVKMIV-UHFFFAOYSA-N 340.467 4.319 0 50 EIAA CC[C@H](c1ccc(OC)cc1)[C@@H](C(=O)OC)c1ccc(OC)cc1 71770755 PQRSCXOSMRYVDS-MOPGFXCFSA-N 328.408 4.154 0 50 EIAA Cc1ccc(S[C@@H](C)C(=O)N(Cc2cccnc2)C2CC2)cc1 72747902 KNHOJMZKKVXWQE-HNNXBMFYSA-N 326.465 4.062 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccccc3F)cc2)nn1 75491902 KSMILVZJVIZYRP-UHFFFAOYSA-N 338.342 4.360 0 50 EIAA CC[C@H](c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1 82087868 KHONZDHTUSDFQW-OAHLLOKOSA-N 348.809 4.084 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N(C)Cc1cccc(SC)c1 91908350 HAGHWYINDHCZIQ-UHFFFAOYSA-N 331.485 4.021 0 50 EIAA CCN(CC)CCOC(=S)NC(c1ccccc1)c1ccccc1 96026352 LJZAYTLQVGIPBG-UHFFFAOYSA-N 342.508 4.009 0 50 EIAA CN(C)C(=O)c1cccc(CN[C@H](c2cccc(F)c2)C(C)(C)C)c1 181073179 OJXQQAQDBJMJDM-LJQANCHMSA-N 342.458 4.405 0 50 EIAA CSCc1ccccc1NC(=O)N1CCC(C(F)(F)F)CC1 184784648 ZXXANPMPZZCTCP-UHFFFAOYSA-N 332.391 4.356 0 50 EIAA CCOc1ccc2c(c1)[C@H](NC(=O)c1cccc(C)c1Cl)CCO2 185595965 GMXIKDNTSMMQAS-MRXNPFEDSA-N 345.826 4.301 0 50 EIAA O=C(O)/C=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 216769973 DRSCJNKNMHGMOI-ZZXKWVIFSA-N 327.561 4.460 0 50 EIAA O=C([C@@H]1CCCc2c1[nH]c1ccccc21)N(Cc1ccccn1)C1CC1 220602568 BJXDBPJBVODUGR-LJQANCHMSA-N 345.446 4.174 0 50 EIAA Cc1csc(-c2ccc(NC(=O)C[C@@H](C)[C@H]3CCCNC3)cc2)n1 237565361 VBJRHPTTYKHPRJ-CJNGLKHVSA-N 343.496 4.083 0 50 EIAA Cc1noc(C)c1CN(C)C(=O)[C@]1(c2ccccc2)CC12CCCC2 244685551 ISEBQSFBFMEZHN-OAQYLSRUSA-N 338.451 4.152 0 50 EIAA CCc1c(NC(=O)N2CCCCCC2)cnn1-c1cccc(C)c1 252498457 RCNKHTOVWMKHDD-UHFFFAOYSA-N 326.444 4.151 0 50 EIAA COc1ccc2cc(NC(=O)[C@@H](CC(C)C)n3cccc3)cnc2c1 253413254 UGZXCGAKFXLNOP-LJQANCHMSA-N 337.423 4.271 0 50 EIAA Cn1cc(CCCN[C@H](Cc2ccccc2)C2CCCCC2)cn1 481916283 NNAGXEUMYYSBPV-OAQYLSRUSA-N 325.500 4.134 0 50 EIAA Cc1ccc(NC(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 486921922 YOKYFSCQYIMFFM-UHFFFAOYSA-N 342.464 4.152 0 50 EIAA O=C(N[C@H](c1cccnc1)C1CC1)c1nc2ccccc2cc1C1CC1 904070271 TVYABKBPLAHJHT-FQEVSTJZSA-N 343.430 4.388 0 50 EIAA Cc1cc(NC(=O)c2ccc3sc(C)nc3c2)n([C@H](C)C2CC2)n1 1529144264 VICJXZROFFYPEB-LLVKDONJSA-N 340.452 4.333 0 50 EIAA CC(C)(C)n1nc(C2CC2)cc1NC(=O)c1cnc2sccc2c1 1875297255 IKKLZEGCIJKFQU-UHFFFAOYSA-N 340.452 4.378 0 50 EIAA COc1c(C)cc(C(=O)N[C@@H](C)CN(C)CCCC(C)(C)C)cc1C 1875335509 QIUSTKMPQYOUMH-KRWDZBQOSA-N 348.531 4.188 0 50 EIAA Cc1ccncc1[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)o2)C1 2325764527 ATRGVBMKKHKUTH-AWEZNQCLSA-N 340.814 4.087 0 50 EIAA CC[C@@H](c1nc(-c2ccc(-c3scnc3C)cc2)no1)N(C)C 2325774292 DAEBHAATOVUFIJ-AWEZNQCLSA-N 328.441 4.181 0 50 EIAA CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCC2 43973 CVDPSFUGGTXNPG-UHFFFAOYSA-N 330.409 4.058 0 50 EIAA Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C 74511 VPINNITWRXMTJQ-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc(C)c1C 89561 ULFXUQARNWBNLJ-GJZGRUSLSA-N 343.448 4.284 0 50 EIAA CC(=O)N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl 230528 AAUHUNSRJCWRNE-SECBINFHSA-N 333.067 4.265 0 50 EIAA O=C(NC(=S)NC1CCCCCCCCCCC1)c1cccnc1 858949 SNYNBBQCWAIENR-UHFFFAOYSA-N 347.528 4.359 0 50 EIAA COC(=O)c1sc2ncccc2c1OCc1cccc(Cl)c1 1388000 JBBPJDZLPQVJGF-UHFFFAOYSA-N 333.796 4.315 0 50 EIAA C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 2774498 KHOKSQNHOLYGLN-HUUCEWRRSA-N 331.843 4.245 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 2979531 FGJKXJXAQSAEDH-UHFFFAOYSA-N 330.428 4.295 0 50 EIAA COc1ccc(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)cc1 3905370 YDRVDKPCLGEAEG-UHFFFAOYSA-N 341.480 4.406 0 50 EIAA O=C(Nc1cccc(OCCCc2ccccc2)c1)c1ccncc1 10373352 SLUMCWBIPAQYAW-UHFFFAOYSA-N 332.403 4.346 0 50 EIAA CC[C@@H](Nc1nncc(-c2ccc(OC)cc2)n1)c1ccc(C)cc1 14960697 UTDYIIFYYVMBEH-GOSISDBHSA-N 334.423 4.419 0 50 EIAA CC(C)(C)CN1CCC[C@H]1c1ccc(C(=O)NCC(F)(F)F)s1 23251058 QZOBGVYNOOWBOS-NSHDSACASA-N 348.434 4.223 0 50 EIAA COc1cc(C)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1C 55543658 JRNCRDVDOVUAQQ-UHFFFAOYSA-N 344.886 4.288 0 50 EIAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CCn1cccc1)CCO2 67758036 JNLSCNBPPNOFJG-UHFFFAOYSA-N 348.446 4.064 0 50 EIAA CC(=O)C1(c2ccccc2)CCN(Cc2ccc3ccccc3n2)CC1 72154047 KYMPGWRPEMQCSI-UHFFFAOYSA-N 344.458 4.358 0 50 EIAA CN(C)Cc1ccccc1Cn1ccnc1-c1ccc(O)c(Cl)c1 72411312 LGPGNIRFSLZKIV-UHFFFAOYSA-N 341.842 4.019 0 50 EIAA Cc1ccccc1NC(=O)Cn1ccnc1-c1cccc(Cl)c1 77540986 ITBFVEXJSMUBJE-UHFFFAOYSA-N 325.799 4.151 0 50 EIAA Cc1ccc(C[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2C)cc1 101152269 HGVYNGSVGNPDNN-BBRMVZONSA-N 341.838 4.325 0 50 EIAA COc1ccc(Cl)cc1N(C)C(=O)c1ccc2ccccc2n1 114284198 QNGLVUFQISNWNR-UHFFFAOYSA-N 326.783 4.173 0 50 EIAA Cc1cccc([C@H](C)C(=O)Nc2cnn(-c3ccccc3F)c2C)c1 129617530 WWDQNXGCWNJSJR-AWEZNQCLSA-N 337.398 4.370 0 50 EIAA O=C(Nc1cccc2ncccc12)c1cccc(Oc2cnccn2)c1 134359028 ACZKGXBQAZZSOE-UHFFFAOYSA-N 342.358 4.069 0 50 EIAA Cc1nc(CCCC(=O)N2C[C@@H](C(C)C)Nc3ccccc32)cs1 176175487 RRUOFUFIJQZUFZ-KRWDZBQOSA-N 343.496 4.258 0 50 EIAA Cn1ccnc1[C@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1 216111649 KLLQXYDMVSOXJS-HNNXBMFYSA-N 340.858 4.001 0 50 EIAA COc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)ccc1F 218852585 OOJUIZBRLBJMGQ-AWEZNQCLSA-N 333.790 4.117 0 50 EIAA O=C(Nc1cccc(-n2cccc2)c1)c1ccncc1C(F)(F)F 253629984 LJBHYWQIKRVOFW-UHFFFAOYSA-N 331.297 4.143 0 50 EIAA CC(C)N(C(=O)c1ccccc1-c1ccc(C(=O)O)c(F)c1)C(C)C 534648220 ZYCXYUCKIGNNSO-UHFFFAOYSA-N 343.398 4.450 0 50 EIAA CCc1cccc(CC)c1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653534071 YMUSAZCYIIPXGA-VBNZEHGJSA-N 346.471 4.068 0 50 EIAA CC(=O)c1nc(NC(=O)c2scnc2C2CCCC2)sc1C 953101212 VXPJTOGHZCJZKM-UHFFFAOYSA-N 335.454 4.021 0 50 EIAA CN1CCC[C@H]1CCn1ccnc1-c1cccc(CC(F)(F)F)c1 1857707471 UKSMOBCVLLHUGV-INIZCTEOSA-N 337.389 4.139 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)[C@H]3CCC4(CC4)C3)[C@@H]2C)cc1F 1875308967 JWXQANQDLPBHBG-VNQPRFMTSA-N 331.431 4.119 0 50 EIAA COc1ccc(CNCc2ccc(OC)c3ccccc23)c(OC)c1 172170 JHQZCGQCIWITRJ-UHFFFAOYSA-N 337.419 4.155 0 50 EIAA CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Cc2ccccc2)CCO1 206869 CZINEGVPVXZXAS-FQEVSTJZSA-N 337.463 4.216 0 50 EIAA CC(=O)Nc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)cc1 217220 JMSFAHAAHSAINJ-UHFFFAOYSA-N 332.447 4.206 0 50 EIAA Cc1nnc(SCC(=O)n2c3c(c4ccccc42)CCCC3)s1 261125 ZQVZONMXPPLIDC-UHFFFAOYSA-N 343.477 4.113 0 50 EIAA O=S(=O)(c1ccc2c(c1)Cc1ccccc1-2)N1CCc2ccccc21 381874 AXUCQMBHYLPJGA-UHFFFAOYSA-N 347.439 4.009 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)c1cc(Cl)ccc1OC 382610 PUNPRIGLSZEBNA-UHFFFAOYSA-N 346.814 4.340 0 50 EIAA CCOC(=O)c1c(C)oc2cc(Br)c(OCC)cc12 396050 BQRIGORSAPQEGM-UHFFFAOYSA-N 327.174 4.079 0 50 EIAA biogenic O=C(Nc1cccc(Br)c1)Nc1cc(F)ccc1F 399430 ISOBVRGBHXVHNF-UHFFFAOYSA-N 327.128 4.371 0 50 EIAA COc1ccc(Cl)cc1NC(=S)Nc1cccc(NC(C)=O)c1 611212 ZNLGWRLXILWJOP-UHFFFAOYSA-N 349.843 4.116 0 50 EIAA O=C(CSc1ccc(Cl)cc1)c1cc2ccccc2oc1=O 617000 OMMPQUPYEGNCEE-UHFFFAOYSA-N 330.792 4.421 0 50 EIAA Cc1ccccc1O[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 4833570 VXLUEAXZNAMPMO-GOSISDBHSA-N 337.463 4.244 0 50 EIAA Cc1cccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c1 4855675 JTWZIDSPAZQAEN-UHFFFAOYSA-N 335.407 4.096 0 50 EIAA Cc1ccc(-n2c(/C=C/c3ccccn3)nc3ccccc3c2=O)cc1 4865792 SJEXEQKRULHKFC-SDNWHVSQSA-N 339.398 4.260 0 50 EIAA Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2cccc(F)c2)CC1 5041678 SVSDRSKPXZNNTF-UHFFFAOYSA-N 347.821 4.142 0 50 EIAA C[C@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Nc1ccc3nccnc3c1)C2 5050018 ZXAOAHPHTKLYRR-YDHLFZDLSA-N 340.496 4.083 0 50 EIAA CCc1ccc(CN2CCC[C@](CO)(CCCc3ccccc3)C2)o1 11699293 PODUDJYNNQJWOA-JOCHJYFZSA-N 341.495 4.439 0 50 EIAA COc1ccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1 11907487 JZDLBAWJYSZRCV-CYBMUJFWSA-N 338.432 4.363 0 50 EIAA O=C(NCCC1CCCCCCC1)[C@@H]1CCC(=O)N(C2CCCC2)C1 11948394 KMKWKULUHMEJCD-GOSISDBHSA-N 348.531 4.034 0 50 EIAA COCc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)o1 12745580 SPLHQQDIEZKLDU-KRWDZBQOSA-N 341.451 4.219 0 50 EIAA Cc1cc(C(=O)NC2CCN(C(C)C)CC2)sc1-c1ccccc1 13326424 VXKZPYLFBSARFY-UHFFFAOYSA-N 342.508 4.326 0 50 EIAA Cc1nn(C2CCCC2)c2[nH]c(-c3cc4c(cc3Cl)OCO4)nc12 19300890 MKPGDKSPCSZHFP-UHFFFAOYSA-N 344.802 4.232 0 50 EIAA O=C(Nc1ccccc1OCCCc1ccccc1)c1ccccn1 55254242 WUHXGLROXGXEMO-UHFFFAOYSA-N 332.403 4.346 0 50 EIAA Clc1cccc(-c2cnn3c(-c4ccc5c(c4)OCO5)ccnc23)c1 71384921 IVDIXCRTTLSRPA-UHFFFAOYSA-N 349.777 4.445 0 50 EIAA COc1ccc(C2(Cn3ccnc3-c3cccnc3)CCCC2)cc1 71416306 MUGSXTCXJUDEPC-UHFFFAOYSA-N 333.435 4.466 0 50 EIAA Cc1cc(C)c2c(CC(=O)N(C)CCc3scnc3C)coc2c1 72407201 ZTIZXIVPHBGHAC-UHFFFAOYSA-N 342.464 4.058 0 50 EIAA Cc1cc([C@H]2CCCCN2Cc2ccc(CCC(C)(C)O)cc2)no1 72407269 KISMLFZUSWHZRG-HXUWFJFHSA-N 342.483 4.414 0 50 EIAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCCCC[C@H]1c1ccco1 77300060 PHBTYEIIZMHLIW-HNNXBMFYSA-N 344.455 4.386 0 50 EIAA Cc1nnc([C@@H](C)OC(=O)c2cccc3c4c([nH]c23)CCCCC4)o1 170625761 DKADJYVLCJRQMK-LLVKDONJSA-N 339.395 4.046 0 50 EIAA O=C(Nc1ccnn1-c1ccccc1)c1ccc(Cl)cc1Cl 174198822 TZEPDJNAXDMBSG-UHFFFAOYSA-N 332.190 4.431 0 50 EIAA CSc1nncc(-c2cc3c(c(SC)n2)CCCCCC3)n1 214083040 OAPYBXAPVKXBKR-UHFFFAOYSA-N 332.498 4.036 0 50 EIAA c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](N[C@H]2CCOc4ccccc42)C3)cc1 248408656 CGJFPXBAYQZJKY-IIZPIQPGSA-N 348.490 4.295 0 50 EIAA Cc1nc(Cl)c(Cl)cc1C(=O)N(Cc1ccccn1)C(C)C 319057251 GQUBNXIRXUNLOT-UHFFFAOYSA-N 338.238 4.143 0 50 EIAA CC1(C)Cc2occc2[C@H](NC[C@H](CO)Cc2ccc(F)c(F)c2)C1 357848227 JXTHTNDHQBSMNS-RDTXWAMCSA-N 349.421 4.012 0 50 EIAA O=C(c1cc2c(s1)CCOC2)N1CC[C@@H](c2cccc(Cl)c2)C1 496806750 UEKRKLRNYNEQHC-CYBMUJFWSA-N 347.867 4.104 0 50 EIAA Clc1ccc(SCc2nnc([C@H]3CC34CCOCC4)o2)cc1 1328216974 ZIQMCHCKFSYGBZ-CYBMUJFWSA-N 336.844 4.299 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(Cl)cc1 35707 VHQMQINQWDNZLT-UHFFFAOYSA-N 326.783 4.233 0 50 EIAA CSc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1 79995 XQZAXAUSPRFKKV-UHFFFAOYSA-N 325.437 4.014 0 50 EIAA COc1ccc(OC)c(NC(=O)c2c(Cl)cccc2Cl)c1 183832 WIKSQYNNNOJMOL-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CC1(C)C[C@H](NC(=O)C[C@@H](c2ccc(F)cc2)c2ccco2)CCO1 472376 ASBIGRMSMVGJFG-SJORKVTESA-N 345.414 4.015 0 50 EIAA COc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1 609774 BBSWQZDXYIZKLL-UHFFFAOYSA-N 335.201 4.410 0 50 EIAA Cc1cc2oc(=O)c3c(c2cc1OC(=O)c1ccccc1)CCCC3 1050211 XXHHBZFKPZMRGD-UHFFFAOYSA-N 334.371 4.199 0 50 EIAA CC(C)CN(CC(C)C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 2988714 BEDDGJVDIQPLEL-LJQANCHMSA-N 335.532 4.338 0 50 EIAA COC(=O)CCCCCCCCCCS(=O)(=O)c1ccccc1 4429801 AIPGECMSPJNWOV-UHFFFAOYSA-N 340.485 4.144 0 50 EIAA CN(C)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 19334721 OVXPZMUENAAPPV-UHFFFAOYSA-N 349.478 4.456 0 50 EIAA Cc1ccc([C@@H](CCO)Nc2cc(C(C)C)nc3cc(C)nn23)cc1 72433598 QDYWEYDIXVXKAS-QGZVFWFLSA-N 338.455 4.005 0 50 EIAA COCCC[C@@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc12 82120505 OXFYXUDGMFVKNS-INIZCTEOSA-N 344.430 4.104 0 50 EIAA CCCn1nc(C)cc1NC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 95524081 ACPWBMSMPVUGJD-HNNXBMFYSA-N 346.862 4.276 0 50 EIAA O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@H](c2cc[nH]n2)C1 97635009 QZSMRVZDRRAJLD-JTQLQIEISA-N 339.226 4.128 0 50 EIAA O=C(O)c1cccc2c(Br)c(Br)sc12 137355927 IQKRNWRSHCECRE-UHFFFAOYSA-N 336.004 4.125 0 50 EIAA O=C(c1coc(-c2ccccc2)n1)N(c1ccccn1)C1CCCC1 154627031 JKDWGYMARCCQSS-UHFFFAOYSA-N 333.391 4.326 0 50 EIAA CC(C)N1CCC[C@H](SCc2ncc(Cl)cc2Cl)C1=O 180541434 PIYVVXZNPICIJI-ZDUSSCGKSA-N 333.284 4.021 0 50 EIAA COC[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccco1 186215025 YZVYLHCCYVJSPE-GFCCVEGCSA-N 347.720 4.069 0 50 EIAA O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 215067589 ZWASSPWNXPSMPY-HXUWFJFHSA-N 338.426 4.403 0 50 EIAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1c(Cl)cccc1Cl 239284868 CGSCAGIEIYXAOJ-OLZOCXBDSA-N 341.282 4.444 0 50 EIAA O=C(O)c1ccccc1CC1CCN(C(=O)CC2CCCCC2)CC1 263037544 OXRNZNOFMJFFDQ-UHFFFAOYSA-N 343.467 4.136 0 50 EIAA C[C@@H](NC1CCC(C(=O)O)CC1)c1nc(-c2ccccc2)cs1 263403468 IXPBQRROQYNWHY-LRVUVFPRSA-N 330.453 4.104 0 50 EIAA Cc1csc(C(=O)N2CCSC[C@@H]2c2nccs2)c1Cl 277038470 MBKFSELKAJLYSI-SECBINFHSA-N 344.914 4.097 0 50 EIAA CCCc1occc1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 281438426 RYFVOYSESMSDSA-APWZRJJASA-N 345.414 4.364 0 50 EIAA C[C@H]1CCCCN1C1CN(C(=O)Nc2cccc(-c3ccco3)c2)C1 299796201 OFHALQJTKUNNEI-HNNXBMFYSA-N 339.439 4.037 0 50 EIAA CC(C)SCC(=O)NCC[C@@]1(c2ccccc2)CCOC(C)(C)C1 426518341 OZUHKAQVRINNCG-HXUWFJFHSA-N 349.540 4.161 0 50 EIAA O=C([C@@H]1CCC[C@H]2CCCC[C@@H]21)N1Cc2ccc(O)cc2C2(CC2)C1 462551558 KPYUOHCVAPHJBK-AYOQOUSVSA-N 339.479 4.373 0 50 EIAA C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)c1ccccc1 798220864 DXIQKIKWYILCMC-OAHLLOKOSA-N 340.394 4.452 0 50 EIAA Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)c3)nc2)c1 369355 NZJWCUHISVYEOK-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2ccccn2)no1 621115 IFQUYKDSGSTZPI-SNVBAGLBSA-N 346.184 4.034 0 50 EIAA CCCCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1 2109221 HTBUQHQMFMYKKY-MSOLQXFVSA-N 329.440 4.415 0 50 EIAA CC(=O)[C@@H](C)Sc1cc(C)nc2c(-c3ccccc3)c(C)nn12 2416119 GFPYOOGWRDKZHA-CQSZACIVSA-N 325.437 4.083 0 50 EIAA CCC[C@@H](C)c1nnc(NC(=O)CSCc2ccccc2)s1 2865499 AXMFJXNGMVQLEE-GFCCVEGCSA-N 335.498 4.314 0 50 EIAA O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)O 2986849 WGLKQWYPTZITQE-UHFFFAOYSA-N 335.812 4.159 0 50 EIAA CCOc1ccc2[nH]c(SCC(=O)c3ccc(F)cc3)nc2c1 8310863 RDHGHYMOKLJVIJ-UHFFFAOYSA-N 330.384 4.076 0 50 EIAA Cc1ccc(-c2cncnc2[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 12190513 MWZJFCGTYNIBMY-KRWDZBQOSA-N 347.418 4.065 0 50 EIAA COc1cccc([C@@H]2CCN2CCC(=O)Nc2cc(C)ccc2C)c1 65461736 YXQXOYIYJSFEIK-FQEVSTJZSA-N 338.451 4.088 0 50 EIAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CC(C)C)CCO3)s1 67722898 HIAIJRDHTSBIRR-UHFFFAOYSA-N 345.464 4.196 0 50 EIAA Cc1ccnc([C@@H](Nc2cc(C(C)C)nc3cc(C)nn23)C2CC2)c1 72410313 FCWGRKOMXWBRKT-FQEVSTJZSA-N 335.455 4.428 0 50 EIAA Cc1cc(C)cc(OCc2noc(CN(C(C)C)C3CCC3)n2)c1 125529177 LSOJYXIORIBMFT-UHFFFAOYSA-N 329.444 4.028 0 50 EIAA O=C1CCCc2occ(C(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)c21 296350059 RQDWSDCWGKWGKV-IAGOWNOFSA-N 347.414 4.259 0 50 EIAA COc1cc(-c2noc(-c3sc([C@H](C)OC)nc3C)n2)ccc1F 328593752 DYLVJDUOVAUNQV-VIFPVBQESA-N 349.387 4.024 0 50 EIAA CC(=O)c1sccc1-c1ccc(C(=O)N[C@@H](C)C(F)(F)F)cc1 426407567 NQJMATJFLLBSAS-JTQLQIEISA-N 341.354 4.298 0 50 EIAA C[C@@H](c1ccc(-c2ccc3c(c2)NC(=O)CO3)cc1)N1CCCCC1 426409413 OHWUEFFSZXPHBJ-HNNXBMFYSA-N 336.435 4.231 0 50 EIAA C[C@H](NCc1c(F)cccc1OC(F)F)c1cc(O)ccc1F 872047600 FOROUXYPJXDJRE-VIFPVBQESA-N 329.293 4.123 0 50 EIAA CC(C)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2cccs2)c1 918225728 QGUQMWFAZZCMSV-AWEZNQCLSA-N 332.469 4.438 0 50 EIAA O=C(Nc1nc(C2CCC2)cs1)N1CCC[C@@H]1c1ccc(O)cc1 931281747 XBUPFZPGTDZRTE-MRXNPFEDSA-N 343.452 4.485 0 50 EIAA c1ccc(CC[C@@H]2CCCCN2Cc2cccc(-n3cccn3)c2)nc1 1506427106 VFKQGCBBZKKZLN-NRFANRHFSA-N 346.478 4.255 0 50 EIAA Cc1nc2cc(-c3ncccc3C(=O)N3C[C@H]4CC[C@@H]3C4)ccc2s1 1875244619 WHBIWUBXHALYJP-DZGCQCFKSA-N 349.459 4.291 0 50 EIAA C[C@@]1(C(=O)N[C@H]2CC[C@H](Oc3ccccc3)CC2)CCc2ccccc21 1875305454 RKBOZNLYDDYURZ-KKLQWCBXSA-N 349.474 4.397 0 50 EIAA O=C([C@@H]1CCC2(CCC2)CN1)N1CC[C@H](c2cccc3ccccc23)C1 2325870484 ZBUZCQRBSAYWTF-RXVVDRJESA-N 348.490 4.078 0 50 EIAA Clc1ccc(CCNC2CCN(Cc3ccccc3)CC2)cc1 181945 SYCDITLOPQNYCP-UHFFFAOYSA-N 328.887 4.137 0 50 EIAA C[C@@H](C(=O)O)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 186087 WZZRJCUYSKKFHO-JTQLQIEISA-N 338.190 4.113 0 50 EIAA CC1(C)Cc2ccccc2/C(=C/C(=O)Nc2ccc(Cl)cc2)N1 344981 VDZMZJMYLFUKEL-BOPFTXTBSA-N 326.827 4.244 0 50 EIAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 470345 SJVVFVXQIDHEHH-LBPRGKRZSA-N 330.815 4.121 0 50 EIAA Cc1ccc(NC(=O)c2cccnc2C(=O)Nc2ccc(C)cc2)cc1 611666 ZQARKRXBMJQCRF-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 2464169 RXXOBXGBUNZNHA-UHFFFAOYSA-N 325.339 4.274 0 50 EIAA FC(F)(F)c1cccc(CN2CCC(N3CCCCC3)CC2)c1 4985966 UZSKWOYRSUIYAW-UHFFFAOYSA-N 326.406 4.156 0 50 EIAA CCCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 6697769 FIIZNANDQBZHJA-UHFFFAOYSA-N 340.379 4.210 0 50 EIAA CCCCc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1 8021982 UKKXHPCJIYKFKW-UHFFFAOYSA-N 334.423 4.171 0 50 EIAA CO[C@H]1CCCN(C(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1 11934600 CMHCNFYEZBYCNU-INIZCTEOSA-N 342.439 4.127 0 50 EIAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)Nc2ccccc2)c1C 12707023 UPABSOREJHRPBL-HNNXBMFYSA-N 334.423 4.372 0 50 EIAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C(C)(C)C 14968968 JSORHHWLNQTDED-MRXNPFEDSA-N 339.483 4.357 0 50 EIAA c1ccc(CNc2nc(Nc3ccncc3)nc3ccccc23)cc1 41151048 TYCUZSHSZSFPHB-UHFFFAOYSA-N 327.391 4.381 0 50 EIAA Oc1cc(CC[C@H]2CCCCN2)cc(-c2ncnc3sccc23)c1 71753775 NLIBVGLXEJIACX-OAHLLOKOSA-N 339.464 4.139 0 50 EIAA c1ccc(-c2cc(NCc3ccc4[nH]ccc4c3)n3nccc3n2)cc1 72162053 DEVHZXSYGYAKIV-UHFFFAOYSA-N 339.402 4.490 0 50 EIAA Cc1c(C(=O)N(C)Cc2cnc3ccccc3n2)oc2c(F)cccc12 77320381 GBTDPEJHOJBQMZ-UHFFFAOYSA-N 349.365 4.096 0 50 EIAA COc1cccc([C@@H]2CCCCN2C(=O)c2sc(C)nc2C)c1 77472519 UXTSCEDYDZRFED-INIZCTEOSA-N 330.453 4.136 0 50 EIAA COc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3cc(C)no3)oc2c1 92038792 GTZHXBXYHQMJAV-OAHLLOKOSA-N 340.379 4.024 0 50 EIAA COc1ccc(C2(NC(=O)c3cccc4c3ccn4C)CCCC2)cc1 170620700 HSFOODXHLLJLTQ-UHFFFAOYSA-N 348.446 4.386 0 50 EIAA Cc1cncc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1 186672396 XKJHDMMHTFWGEQ-OAHLLOKOSA-N 335.451 4.252 0 50 EIAA O=C(Nc1ccc2cc[nH]c2c1)N(CCCO)[C@H]1CCc2ccccc21 194275884 IKVLLGYLOAKSRL-FQEVSTJZSA-N 349.434 4.072 0 50 EIAA CC[C@@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccc(C)cc1 248160823 ONNPPRPYVMAWSU-CRAIPNDOSA-N 342.508 4.243 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 255232575 MENYRVLDWKVWLK-UPYGWULESA-N 334.500 4.322 0 50 EIAA CSc1cc(C(=O)Nc2ncc(C(C)C)s2)ccc1NC(C)=O 358959189 DGHUEHWFLPHZTA-UHFFFAOYSA-N 349.481 4.199 0 50 EIAA Cc1cc(C)cc([C@@H](O)CNCc2ccc(Cl)c3cccnc23)c1 800896758 RTNRNJQZOTWWEL-IBGZPJMESA-N 340.854 4.328 0 50 EIAA O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccoc1Cl 816792712 SVENFGRFACTUSH-SJORKVTESA-N 341.794 4.138 0 50 EIAA O=C(Nc1nc(C2CCC2)cs1)N1CCC[C@H]1c1ccc(O)cc1 931281744 XBUPFZPGTDZRTE-INIZCTEOSA-N 343.452 4.485 0 50 EIAA Cc1cnn(C2CCCC2)c1NC(=O)C1(c2ccccc2F)CC1 1529161783 POHBFTFEBSYNCG-UHFFFAOYSA-N 327.403 4.116 0 50 EIAA COc1cccc2c(N3CCC[C@H]4[C@H](C(F)(F)F)[C@@H]43)cc(C)nc12 1875328320 LDTLLRIEMTWJHT-YLQAJVPDSA-N 336.357 4.329 0 50 EIAA O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)NCCC2 2325745659 JNMSFEYYDKPBPN-UHFFFAOYSA-N 332.403 4.215 0 50 EIAA CCOc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(F)c(O)c1)CCO2 2325773824 ISBLXJMSBLQQSB-SJKOYZFVSA-N 331.387 4.104 0 50 EIAA O=C(CCc1cccc(F)c1Cl)OCc1cccc2c[nH]nc12 2325855815 PYEQORGZOGKABI-UHFFFAOYSA-N 332.762 4.031 0 50 EIAA COc1ccc(-c2ccc(-c3nccn3C[C@H](C)OC)s2)cc1F 2356146162 UZYVTQWDPSHQMO-LBPRGKRZSA-N 346.427 4.461 0 50 EIAA CC[C@]1(O)CCC[C@H]2CN(c3nc(-c4ccc(F)cc4)cs3)C[C@H]21 2356146861 XYTSLSYPLPUOOW-GMBSWORKSA-N 346.471 4.327 0 50 EIAA COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 87714 NEKGNEYRMMLISR-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA Oc1ccc(-c2[nH]nc(C(F)(F)F)c2Oc2ccccc2)c(O)c1 296959 LEGCAYDVIIRQOL-UHFFFAOYSA-N 336.269 4.299 0 50 EIAA CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc2ccccc12 336052 WWDGSIGHERLNOQ-UHFFFAOYSA-N 349.386 4.069 0 50 EIAA O=C(C1CCC(c2ccc(-c3ccccc3)cc2)CC1)N1CCOCC1 758189 KDTGPMCHKCQPGE-UHFFFAOYSA-N 349.474 4.486 0 50 EIAA O[C@@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@@H]1CCc1ccccc1 2580713 BBKPDCPIJZWWPW-MJGOQNOKSA-N 347.380 4.204 0 50 EIAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 4842531 HXLMXRCXGRFDPL-UHFFFAOYSA-N 331.586 4.303 0 50 EIAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccs1 4985807 VHBZUJPDUTTYBR-HNNXBMFYSA-N 337.444 4.499 0 50 EIAA Cc1cnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 8852807 KCBIQFYBPKZSIL-UHFFFAOYSA-N 343.433 4.018 0 50 EIAA O=C(COc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cs1 9108976 AQYUCRIAHGLNNE-UHFFFAOYSA-N 344.823 4.481 0 50 EIAA Cc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl 12042859 OVHUVRXCLQHMCF-UHFFFAOYSA-N 349.261 4.264 0 50 EIAA CCCCNC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 12138240 SPGONJSGXKJRHE-UHFFFAOYSA-N 330.815 4.122 0 50 EIAA Cc1c(C(=O)Nc2sc(C(C)C)cc2C(N)=O)oc2ccccc12 13326924 YQOONLBKKCBEHU-UHFFFAOYSA-N 342.420 4.277 0 50 EIAA CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19368911 XRYLGRGAWQSVQW-KRWDZBQOSA-N 344.911 4.336 0 50 EIAA in-man Cc1nn(C)c(C)c1-c1ccnc(N[C@@H](C)c2ccc(Cl)cc2)n1 48090867 NNECGRABUIPGPH-NSHDSACASA-N 341.846 4.320 0 50 EIAA CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CCC1 51951661 DVTBDRZBNXFPLU-UHFFFAOYSA-N 326.234 4.353 0 50 EIAA in-vitro CN(Cc1cccc2cnccc12)Cc1cccn1-c1nccs1 65536547 SBGDBBOKBXQEFO-UHFFFAOYSA-N 334.448 4.114 0 50 EIAA Fc1cccc(F)c1CC[C@H]1CCCN(Cc2nnc(C3CC3)o2)C1 72119571 ZXKLXUMTDGHMNJ-CYBMUJFWSA-N 347.409 4.070 0 50 EIAA CCc1cc([C@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)on1 72127390 KKOCKBCVQPAVRX-ZDUSSCGKSA-N 333.395 4.120 0 50 EIAA Fc1ccc2ncnc(N3CCO[C@H](c4cccc(Cl)c4)C3)c2c1 183971653 WPWPPHWNXWGKDT-KRWDZBQOSA-N 343.789 4.000 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@@H]2C(F)F)c(C)cc1Br 328589353 PBMCTCDJFJMCJI-CYBMUJFWSA-N 346.215 4.326 0 50 EIAA Cc1cc(CC(=O)Nc2cc(Cl)ccc2N2CCC[C@@H](C)C2)on1 952866535 BIBAOJCNGHXHBZ-GFCCVEGCSA-N 347.846 4.054 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N2CC[C@H]2c2ccc(F)cc2)cc1 952965812 RXXDNYDFUDLZNG-SFHVURJKSA-N 326.415 4.298 0 50 EIAA Cc1ccc(-c2ccc3c(=O)cc(C(=O)O)oc3c2)cc1C(F)(F)F 2325870513 AMQLNZOYBHHLFA-UHFFFAOYSA-N 348.276 4.485 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCCC2)cc1 37775 KJQJJASOYUDGMH-UHFFFAOYSA-N 344.842 4.266 0 50 EIAA O=c1ccc2ccc(OCc3cccc(Br)c3)cc2o1 307442 JAHAZMNEPPHNQK-UHFFFAOYSA-N 331.165 4.135 0 50 EIAA biogenic CCc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)cc1OC 528260 AXRYIPWGCLDHQF-UHFFFAOYSA-N 339.844 4.020 0 50 EIAA O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 2485263 JUFHZEGXPGIZDC-UHFFFAOYSA-N 327.380 4.294 0 50 EIAA Cc1ccc(OCCCCn2cnc3ccccc3c2=O)c(Cl)c1 2862686 FATFWUOQQLMXLX-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1ccco1 4358702 FQYKOQSEGCHWRK-UHFFFAOYSA-N 346.839 4.337 0 50 EIAA CC(C)C[C@@H](NC1=NC(C)(C)Cc2c1ccc1ccccc21)C(=O)O 4837752 IGNOZCFUWMJJSJ-GOSISDBHSA-N 338.451 4.010 0 50 EIAA COc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(F)c1 4867398 LODGIPWGQXOXBC-UHFFFAOYSA-N 327.277 4.034 0 50 EIAA O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1 5059835 LHSALRZHOFPCFP-UHFFFAOYSA-N 331.331 4.249 0 50 EIAA Cc1ccccc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C 8021616 UANQKOYVSYTKPS-UHFFFAOYSA-N 334.423 4.260 0 50 EIAA O=C(CC1CC1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 14976179 KWNVPHRQWZAHOJ-NRFANRHFSA-N 349.474 4.236 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)C[C@H](C)N2CCCCC2)cc1 55244519 WFUIYUPDHXMRGR-INIZCTEOSA-N 345.487 4.018 0 50 EIAA Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)c1cccnc1 55284783 GTZDOWLDWNTTBR-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA Cc1[nH]cnc1-c1nccn1CC[C@@H](c1ccccc1)c1ccco1 71615066 JTTCBTCOBBSQAW-KRWDZBQOSA-N 332.407 4.397 0 50 EIAA c1ccc(-c2ccc(CN3CCC(CCn4cccn4)CC3)cc2)nc1 77519085 PGZRQJFSLXUYGD-UHFFFAOYSA-N 346.478 4.247 0 50 EIAA CCC[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@H]1N(C)C 82109527 DKCQLKIOZVKJNQ-WIYYLYMNSA-N 336.479 4.156 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[C@H]2C(=O)O 100889688 FASFRUJAPNQCNC-KFZJALRRSA-N 347.842 4.280 0 50 EIAA COc1cc(C)cc(-c2ccc(CN3CCCCC3)cn2)c1OC 102547473 PUSCWFQMZWXXPF-UHFFFAOYSA-N 326.440 4.060 0 50 EIAA Cc1ccccc1-c1nc(CNc2cc(Cl)cc3c2OCC3)no1 166403046 PYFQAIIEYNQTAA-UHFFFAOYSA-N 341.798 4.245 0 50 EIAA COc1ccc(C)nc1NC(=O)c1csc(-c2ccccc2C)n1 174793219 GKKYXMIXSYNHAI-UHFFFAOYSA-N 339.420 4.083 0 50 EIAA O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccccc1Cl 174819406 VOIBFYOKHCXJCB-UHFFFAOYSA-N 332.190 4.431 0 50 EIAA COc1cc(CNc2ccccc2OCc2cscn2)ccc1O 225669384 BUULSZMLIRKGPD-UHFFFAOYSA-N 342.420 4.048 0 50 EIAA CC(C)(C)OC(=O)NCCNc1ccc(Oc2ccccc2)cc1 310022435 JZAVJBABQXUJJM-UHFFFAOYSA-N 328.412 4.416 0 50 EIAA CC(C)n1ncc2c1C[C@H](N[C@@H](C)c1cc3ccncc3s1)CC2 657990692 VRIYUYAGCWLRRT-XJKSGUPXSA-N 340.496 4.282 0 50 EIAA CCCn1ncc(NC(=O)N[C@@](C)(C2CC2)C(F)(F)F)c1C1CC1 933574838 ZQJUOTYIVDAZGS-HNNXBMFYSA-N 344.381 4.023 0 50 EIAA C[C@H](NCc1ccnc2ccccc12)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952861492 HHCIBURHMUABMW-ZSVPXSECSA-N 336.479 4.044 0 50 EIAA Cc1ccc(C2OCC3(CO2)COC(c2ccc(C)cc2)OC3)cc1 195040 QLJRDJLTWGHJSN-UHFFFAOYSA-N 340.419 4.081 0 50 EIAA aggregator COc1ccc(Cl)cc1C(=O)Nc1cccc(Br)c1 442586 WSOVUZXOMLSLCP-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA Cc1cccc(NC(=O)c2ccccc2OCc2ccccc2F)n1 614094 RUXOEHILFZOJEP-UHFFFAOYSA-N 336.366 4.360 0 50 EIAA Nc1ccc(-c2ccc(N)cc2Br)c(Br)c1 1610445 CPBGOWIFSRZWIZ-UHFFFAOYSA-N 342.034 4.043 0 50 EIAA Fc1ccc(C2=C[C@H](c3ccccc3Cl)N3N=NNC3=N2)cc1 1813768 ZDKMTIYUFLLFKD-OAHLLOKOSA-N 327.750 4.118 0 50 EIAA O=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc2ccccc2c1 2595494 ZQUNPRBSUQDTOJ-UHFFFAOYSA-N 338.790 4.462 0 50 EIAA Cc1cc(C)cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 3565939 RUNKPXZMYCWRDG-LJQANCHMSA-N 325.408 4.114 0 50 EIAA COc1ccccc1-n1cnc2cc(NC(=O)c3cccs3)ccc21 4758684 LVUYHFYQJCTDAW-UHFFFAOYSA-N 349.415 4.348 0 50 EIAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(F)cc2)s1 6604126 BJSKYXXFXQOHLP-UHFFFAOYSA-N 338.429 4.045 0 50 EIAA CSc1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 6729482 QKDCWDIITNGLRL-UHFFFAOYSA-N 347.749 4.123 0 50 EIAA CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1 12138729 ROUZPADBDJILLU-CYBMUJFWSA-N 326.396 4.075 0 50 EIAA COc1ccc(CN[C@@H](C)CC(C)(C)c2ccc(C)o2)cc1OC 22077597 LTUAVHZKSHKCTF-AWEZNQCLSA-N 331.456 4.451 0 50 EIAA Cc1nc(SCC(=O)Nc2ccccc2)c2oc3ccccc3c2n1 38144636 HYRMHNXXZWEQDP-UHFFFAOYSA-N 349.415 4.415 0 50 EIAA Cc1ccsc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 55543620 UXNXTRALRUQANK-UHFFFAOYSA-N 340.414 4.398 0 50 EIAA Cc1cc2oc(=O)cc(CN(C)[C@H](C)c3nccs3)c2cc1C 65406240 CGIIPZBDXSYVEZ-CYBMUJFWSA-N 328.437 4.059 0 50 EIAA CC(C)c1nc(CN(C)C(=O)c2cccc(OC(F)F)c2)cs1 82120841 MEBWSMLWYZTECL-UHFFFAOYSA-N 340.395 4.140 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(C(C)C)nn1C 97288726 RGJDIWHDYVHSJN-KRWDZBQOSA-N 343.475 4.334 0 50 EIAA O=C(CCc1ccco1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 178339499 URTACYFABGPFDZ-QGZVFWFLSA-N 325.408 4.165 0 50 EIAA O=C(NCc1ccsc1)N[C@@H]1CCCOc2cc(Cl)ccc21 180485527 IPKAZYKNJGQORK-CQSZACIVSA-N 336.844 4.115 0 50 EIAA COc1ccc(Cl)cc1[C@@H](C)Nc1cnn(Cc2ccccn2)c1 182145538 RVOLAKFNWCPURM-CYBMUJFWSA-N 342.830 4.162 0 50 EIAA CCC(CC)c1cc(CNC(=O)[C@@H]2CCCc3c(O)cccc32)on1 190499740 KPOLDLMPIYLEGN-QGZVFWFLSA-N 342.439 4.020 0 50 EIAA FC(F)(F)c1cc(N2CC[C@H]3CCCC[C@H]32)nc(-c2cccnc2)n1 225575924 HRKURKXYCGVFQS-TZMCWYRMSA-N 348.372 4.326 0 50 EIAA CCc1ccc([C@H]2COCCN2C[C@H]2CCC3(CCCCC3)O2)o1 252587368 XSLFRLVTTYVSDH-QZTJIDSGSA-N 333.472 4.097 0 50 EIAA CC[C@H](N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)O 263578969 UAMBJMPODORKPI-RNCFNFMXSA-N 338.860 4.286 0 50 EIAA O=C(Nc1ccc2c(c1)CCN2)c1ccccc1CCC(F)(F)F 422761327 RCHXKYWSOGDBRH-UHFFFAOYSA-N 334.341 4.402 0 50 EIAA Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@@H](C)[C@@H](C)C3)cc2F)n1 499589839 KSBOWRYVVCKEMC-OLZOCXBDSA-N 344.434 4.138 0 50 EIAA Cc1nnc(N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccccc12 1529150944 BZKKACLNOOYWLP-OJYSUCSVSA-N 337.467 4.070 0 50 EIAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)no2)cc1 1775977077 VZHBOXYILFWSJL-ROUUACIJSA-N 332.403 4.184 0 50 EIAA CCn1nc(C2CCOCC2)nc1[C@@]1(c2ccccc2F)CC1(C)C 1857678403 XPUWEUUQPDUYLZ-FQEVSTJZSA-N 343.446 4.047 0 50 EIAA CC(C)n1nc(C(=O)OCCCCC(C)(C)C)c2ccccc2c1=O 1875357597 MZQYRWFXWJFRIC-UHFFFAOYSA-N 344.455 4.351 0 50 EIAA COc1ccc2cc(CN[C@@H](C)c3cnc4n3CCCC4)ccc2c1 2325777542 JTQSPIIOHYJBLM-HNNXBMFYSA-N 335.451 4.232 0 50 EIAA FC(F)(F)c1coc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 2325870359 UDOGJTWCOBIWQC-MRXNPFEDSA-N 339.357 4.132 0 50 EIAA O[C@H](CNCc1cccc2ccsc12)Cc1cccc(Cl)c1 2325870377 VLGJEILNJSUPPB-KRWDZBQOSA-N 331.868 4.248 0 50 EIAA O=c1oc(-c2ccccc2Br)nc2cc(Cl)ccc12 70200 GNYDRHNFZHVOHV-UHFFFAOYSA-N 336.572 4.271 0 50 EIAA Cc1cc(=O)[nH]c(SCc2c(Cl)ccc(Cl)c2Cl)n1 142222 MHLPFBKTMJWRGJ-UHFFFAOYSA-N 335.643 4.331 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 173610 CERQRMSWDGHERQ-UHFFFAOYSA-N 347.212 4.050 0 50 EIAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1 191638 ACLUEOBQFRYTQS-SNVBAGLBSA-N 347.436 4.443 0 50 EIAA in-vitro C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12 399527 AQZMEAUHWOEKTM-HNNXBMFYSA-N 348.402 4.093 0 50 EIAA Cc1ccc(CSc2nnc(NC(=O)c3cccs3)s2)cc1 467227 WMNLNTAWARMDPL-UHFFFAOYSA-N 347.490 4.453 0 50 EIAA CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 472113 DHZXZQWJSQYTQI-UHFFFAOYSA-N 334.375 4.347 0 50 EIAA COC(=O)Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1 620388 LRMVWMNTROYRPX-UHFFFAOYSA-N 347.440 4.343 0 50 EIAA CCCOC(=O)c1c(NC(=O)Cc2ccccc2)sc(C)c1CC 2101557 BNTGOOOJOCWUNY-UHFFFAOYSA-N 345.464 4.367 0 50 EIAA CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)ccc1OC 2908260 ZBUXWFUXDPHRGA-OAHLLOKOSA-N 347.846 4.457 0 50 EIAA aggregator Cc1cc2c(SCC(=O)Nc3ccccc3Cl)ncnc2s1 4488362 BCAPMHXGKSBKNR-UHFFFAOYSA-N 349.868 4.384 0 50 EIAA CC(C)Oc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 8586568 HOTPJBNXALDZEP-UHFFFAOYSA-N 336.391 4.309 0 50 EIAA O=C(Nc1nnc(-c2ccccc2F)s1)Nc1ccccc1F 9300610 QOQYBMYMROZNFU-UHFFFAOYSA-N 332.335 4.127 0 50 EIAA C[C@@H](Cc1cc(C(=O)NCc2cccc(F)c2)on1)c1ccccc1 12036401 IYAVLDJNHSCZOJ-AWEZNQCLSA-N 338.382 4.090 0 50 EIAA CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 12138233 QOPFEWHZBCNXEI-UHFFFAOYSA-N 330.815 4.121 0 50 EIAA Cc1cc(O)ccc1NC(=S)Nc1ccc(Br)cc1 17070831 OJVCSAHCJUKYQV-UHFFFAOYSA-N 337.242 4.272 0 50 EIAA CSc1ccccc1NC(=O)N(CCN(C)C)Cc1ccccc1 43319093 OUTILAQXOITDQU-UHFFFAOYSA-N 343.496 4.004 0 50 EIAA c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1 53151344 YXAYUWVURAQPQH-UHFFFAOYSA-N 335.476 4.132 0 50 EIAA CCCCC(=O)Nc1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1 67790572 GOGMYJAYOOESQB-UHFFFAOYSA-N 349.434 4.227 0 50 EIAA O=C(c1cccc(O)c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71759610 PJWJCMJKTABNPD-MRXNPFEDSA-N 327.399 4.016 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nn1 72115926 WVEHFJIHARRIGF-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)CCc2c[nH]c3ccccc23)c(C)s1 82147650 HIXHITBDQFKVNT-LBPRGKRZSA-N 341.480 4.393 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)c1cccc(-n2cccn2)c1 116617763 REEDWQMIRMGMBV-UHFFFAOYSA-N 341.798 4.095 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCCOc2ccccc21 190521791 NYBIRRCJKAQYGB-OAHLLOKOSA-N 342.464 4.048 0 50 EIAA Cc1nc([C@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)c(C)s1 223289294 SSEDAGJEHRFRHC-AWEZNQCLSA-N 349.544 4.126 0 50 EIAA Cc1ccc(-c2nnc(N3CCC[C@H]3c3cccs3)n2C)s1 225688212 CWLNIXFSFQMOAR-LBPRGKRZSA-N 330.482 4.255 0 50 EIAA C[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]3CC4(CC[C@]3(C)[C@@H]1C(=O)C2)OCCO4 253592456 ZQDFDIIVEXMNKF-LFMXGZDGSA-N 332.484 4.341 0 50 EIAA O=C(O)[C@@H](Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 263623371 GVJHGORMXVVRNX-NSHDSACASA-N 329.705 4.165 0 50 EIAA CCn1ccnc1[C@H]1OCC[C@@H]1NC1CCC(c2ccccc2)CC1 275589159 POAVIIHOOGWAGD-GUMHCPJTSA-N 339.483 4.049 0 50 EIAA Cc1cccnc1[C@@H]1CCC[C@@H](Nc2ccc3c(c2)NC(=O)CC3)C1 374187582 LUYWSCGPXFQPHP-IAGOWNOFSA-N 335.451 4.413 0 50 EIAA COC1(C(F)(F)F)CCN(C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)CC1 416271842 XYPLLPIJYWBNRM-STQMWFEESA-N 335.410 4.019 0 50 EIAA CCN(CCCCO)C(=O)c1ccc(-c2cccc(C)c2C)cc1 426526025 IWEAZKIRQDEICB-UHFFFAOYSA-N 325.452 4.205 0 50 EIAA CCOCC(C)(C)NC(=O)c1ccc(-c2cccc3cccnc23)cc1 502067043 RTWTVLWPMLVSRP-UHFFFAOYSA-N 348.446 4.447 0 50 EIAA COc1ccc(-c2ccc(OC[C@@H]3C[C@H]3C(=O)O)cc2)c2cccnc12 534638588 JVSLYDPKHMNILW-KBXCAEBGSA-N 349.386 4.010 0 50 EIAA Cc1nc2ccc(CC(=O)NCCCc3ccc(C(C)C)cc3)cc2[nH]1 670473391 NZSBUJMXAYHTQQ-UHFFFAOYSA-N 349.478 4.286 0 50 EIAA COc1cccc([C@H]2CCN(Cc3cccc(SC)c3)C2)c1OC 1506419804 KARMDGFLEMCSSU-INIZCTEOSA-N 343.492 4.415 0 50 EIAA CC(C)c1cc(CN2CCC([C@H](O)CCc3ccccc3)CC2)on1 1506421744 MJSPLXHKXACSDY-OAQYLSRUSA-N 342.483 4.004 0 50 EIAA O=C(NCc1ccc(CC2CC2)cc1)c1c[nH]nc1-c1ccccc1F 1875348935 HNQGSTDOFFHJCA-UHFFFAOYSA-N 349.409 4.098 0 50 EIAA CCCC[C@@H](CCC)NC(=O)c1cc2c(nc1O)CC(C)(C)CC2 1875356379 JJQLSKIVXQQPRT-OAHLLOKOSA-N 332.488 4.391 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)c1nccc2ccccc12 2325735406 KQJPTRBFHDLSRZ-ZWKOTPCHSA-N 334.463 4.045 0 50 EIAA CC(C)CNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 116878 IZLHYAQTDUKBEK-UHFFFAOYSA-N 342.468 4.159 0 50 EIAA CCSc1sc(CC)cc1CN1C(=O)c2ccccc2C1=O 135685 RNCDMPCQWOCBEZ-UHFFFAOYSA-N 331.462 4.219 0 50 EIAA COC(=O)c1cn(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 528360 BTHKVEKXPQQZFR-UHFFFAOYSA-N 348.185 4.423 0 50 EIAA Cc1cccnc1NC(=O)Nc1ccc(Br)cc1Cl 611142 MGMGZLHWYCZSHF-UHFFFAOYSA-N 340.608 4.450 0 50 EIAA CC[C@@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 1055762 BLCIJPHBWYCRCZ-LJQANCHMSA-N 336.435 4.055 0 50 EIAA CC(=O)Nc1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 1292873 LIWMCUCIYVWOPG-UHFFFAOYSA-N 346.312 4.351 0 50 EIAA CCOc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1 2835200 SAMXWFPXNLQPKA-UHFFFAOYSA-N 347.219 4.160 0 50 EIAA CC(C)C(=O)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 5003583 DEGKDJCCWJESHX-NSHDSACASA-N 345.053 4.187 0 50 EIAA CCOC(=O)c1c(NC(=O)OC)sc2c1CC[C@@H](C(C)(C)C)C2 5020883 OVFXWNYRSQMFEV-SNVBAGLBSA-N 339.457 4.254 0 50 EIAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1C)CC(=O)N2 7342047 PUPUXRNDOTWCNS-OAHLLOKOSA-N 325.408 4.267 0 50 EIAA C[C@@H](NC[C@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 12383890 HXFPAKGMNBNTBT-OTBHMBEGSA-N 333.516 4.320 0 50 EIAA COC(=O)c1sccc1Oc1ccccc1NC(=O)CC(C)C 12856274 HZABDOPFUWQOFN-UHFFFAOYSA-N 333.409 4.312 0 50 EIAA Cc1cccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)c1 16606841 KFNRXDQDHWCUMT-UHFFFAOYSA-N 328.500 4.046 0 50 EIAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cccc(O)c2)C1 19148625 CZYFAZCRWVESMM-INIZCTEOSA-N 341.476 4.209 0 50 EIAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(C2CCCCC2)no1 33269842 ABUIXBNSBRCOTK-MRXNPFEDSA-N 343.427 4.304 0 50 EIAA O=C(O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 45951719 OVQQRBIJPQXUHW-GOSISDBHSA-N 335.403 4.218 0 50 EIAA Cc1ccccc1CCN1CCC[C@H](CN(C)C2CCSCC2)C1 55107708 NEEQOAFAPQZVAI-LJQANCHMSA-N 346.584 4.077 0 50 EIAA CCc1c[nH]nc1C1CCN(Cc2c(C)ccc3ncccc23)CC1 67713736 UMIVZIUNRPNVPV-UHFFFAOYSA-N 334.467 4.208 0 50 EIAA Clc1ccccc1-c1ccc(CN2CCC(c3nc[nH]n3)CC2)o1 93646315 ZPWSXFXUDGXLLL-UHFFFAOYSA-N 342.830 4.098 0 50 EIAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc3ncccc3c2)CC1 95511219 UWXVIPORWFCSDY-UHFFFAOYSA-N 348.450 4.032 0 50 EIAA Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 100743799 WHSLRMIXNXZNST-HZVDNRATSA-N 345.398 4.099 0 50 EIAA CCc1ncsc1NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1 157575132 MRSRSKIZNLMGLY-UHFFFAOYSA-N 344.480 4.473 0 50 EIAA Cc1n[nH]c(-c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)n1 176159547 ZHVYVDVGNIGLLM-UHFFFAOYSA-N 347.205 4.339 0 50 EIAA Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(-c2cnco2)cc1 188610217 WQIPRQWKZNCEBY-UHFFFAOYSA-N 339.420 4.311 0 50 EIAA CCc1c(NCc2nc(-c3ccccc3)no2)cnn1C(CC)CC 225389640 ZIGIFXFGFIIBOR-UHFFFAOYSA-N 339.443 4.469 0 50 EIAA CC(C)(C)OC(=O)NC[C@@H](NCc1cccc2cc[nH]c12)C(C)(C)C 225589255 TZYZPXVDMGFXCH-MRXNPFEDSA-N 345.487 4.197 0 50 EIAA CCO[C@@H]1C[C@H](NCc2ccc(CSC(F)F)o2)C12CCC2 236890795 YWMPIMYNRMSNPP-UONOGXRCSA-N 331.428 4.173 0 50 EIAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@H]1/C=C/c1ccccc1 253424905 SEFCAIHZWIRMKB-BSODZPPDSA-N 337.467 4.225 0 50 EIAA C[C@]12CCC3(C[C@@H]1CC(=O)[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 257345867 LXOGEYSXRYPSCR-ANOHPKFUSA-N 332.484 4.341 0 50 EIAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)O)cc1 263581905 XUHWDNIXGOQNIN-FZKQIMNGSA-N 345.826 4.000 0 50 EIAA Cn1ccnc1-c1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 426505874 RQKMDDAZJXCJRE-UHFFFAOYSA-N 328.375 4.336 0 50 EIAA CC(C)n1ncc2c1C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)CC2 657990707 VTLQDTRPAQHIDJ-SWLSCSKDSA-N 334.414 4.005 0 50 EIAA COc1ccc2c(c1)C=C(CN1CCCC[C@H]1c1ccccn1)CO2 670460435 GGYCKLCUIBTGDW-FQEVSTJZSA-N 336.435 4.093 0 50 EIAA O=C(Nc1cnn(C2CCCC2)c1)N[C@@H](c1ccccc1)C(F)F 931546244 ZMEPMPXKUDHXGR-HNNXBMFYSA-N 334.370 4.126 0 50 EIAA Cc1csc(C2(NCc3cnc(-c4ccccc4)o3)CCC2)n1 1354602245 VJONVWGPHRHXPF-UHFFFAOYSA-N 325.437 4.276 0 50 EIAA COc1ccc(C)cc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 1462724165 LJEDZQSTZDZHKS-UHFFFAOYSA-N 334.437 4.069 0 50 EIAA c1ccc(-c2ncc(-c3nccn3CC3CCOCC3)s2)cc1 1857689799 YGMVPDLOWYCILR-UHFFFAOYSA-N 325.437 4.100 0 50 EIAA O=C(C[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccccc1 178782 PZNSDUWMPLRQQY-LJQANCHMSA-N 340.400 4.068 0 50 EIAA COc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 196446 HVWBMHBCGPWVEF-UHFFFAOYSA-N 345.358 4.151 0 50 EIAA CC(C)(C)C1CCC(OC(=O)CCC(=O)NCc2ccccc2)CC1 294604 VVMVJNWTRTUFKS-UHFFFAOYSA-N 345.483 4.231 0 50 EIAA CCOC(=O)c1ccc(COc2ccc(Br)cc2)cc1 388908 SQKAMYGIWSHLFC-UHFFFAOYSA-N 335.197 4.205 0 50 EIAA O=C(NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 455755 PCAKRDDWPJPCSL-UHFFFAOYSA-N 332.428 4.480 0 50 EIAA O=C(O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 614221 HMQRNKFGWXTJPW-UHFFFAOYSA-N 345.398 4.084 0 50 EIAA CCOc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2O)cc1OC 935990 IEJCNYPBVQHYFD-UHFFFAOYSA-N 340.375 4.190 0 50 EIAA O=C1C(=O)N(C2c3ccccc3Oc3ccccc32)c2ccccc21 1816297 LFIOSDOPRSPXQO-UHFFFAOYSA-N 327.339 4.111 0 50 EIAA CCCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC2 2763182 JJVVRZIIRCTHDO-UHFFFAOYSA-N 347.411 4.195 0 50 EIAA CCCCC/C=C\C/C=C\C/C=C\C[C@@H](O)[C@@H](O)CCCC(=O)O 4655415 GFNYAPAJUNPMGH-GSKBNKFLSA-N 338.488 4.382 0 50 EIAA endogenous,in-man Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 12308747 ZZMALWGNQHXQDP-INIZCTEOSA-N 328.843 4.138 0 50 EIAA CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 27640128 CTHZICXYLKQMKI-USRHFZIESA-N 336.472 4.280 0 50 EIAA in-vitro C[C@@H](c1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1)N1CCOCC1 67459765 MFZDZXIPVMOZGR-ZDUSSCGKSA-N 345.826 4.098 0 50 EIAA COc1ccc(-c2noc(-c3ccc(-c4ccc(O)cc4)nc3)n2)cc1 72132952 ZRJHJRSFOJQAQQ-UHFFFAOYSA-N 345.358 4.180 0 50 EIAA O=C(O)c1ccccc1[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 72174019 VQDIJHGCIWJBFC-ZDUSSCGKSA-N 333.790 4.167 0 50 EIAA CCN(CC)C[C@H]1CCCN1C(=O)c1[nH]c2c(C)cc(C)cc2c1C 92077951 ZGXZWJAYCQKTCS-QGZVFWFLSA-N 341.499 4.040 0 50 EIAA O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]2CCCC[C@H]21 152699037 MMKLAJDQQMLESF-UYAOXDASSA-N 326.484 4.077 0 50 EIAA C[C@@H]1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)[C@@H](c2ccco2)C1 170084608 NRNIZVUHUVFVLY-LBCXTIRYSA-N 346.452 4.022 0 50 EIAA O=C(c1ccnn1CC(F)F)N1CCCCC[C@@H]1C1CCCCC1 239366918 AGSVAVBAPFPGDL-OAHLLOKOSA-N 339.430 4.113 0 50 EIAA Cc1ccc(C[C@@H](C)N[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 244748647 OLRLMHLCUMQKRH-SXPDOFJESA-N 327.512 4.235 0 50 EIAA Cc1cnc(CCN[C@@H](C)c2cc3c(Cl)nccc3o2)c(C)c1 866384148 IDUCSARMJDZUAS-ZDUSSCGKSA-N 329.831 4.386 0 50 EIAA Cc1cc(CN2CCC([C@@H](CC(=O)O)c3ccccc3)CC2)c(C)o1 901603585 QGNOUXCGSVVMFE-FQEVSTJZSA-N 341.451 4.367 0 50 EIAA O=C(N[C@H]1CCCCc2ccccc21)c1c[nH]nc1-c1ccsc1 1875348869 FPHWQQBMTFYCSG-KRWDZBQOSA-N 337.448 4.336 0 50 EIAA Cc1cc2ncn(S(=O)(=O)c3ccc(C(C)C)cc3)c2cc1C 103888 NXKCDQJKDWMGID-UHFFFAOYSA-N 328.437 4.014 0 50 EIAA C[C@@H]1C[C@@H](C)CN(c2nc(-c3ccccc3O)nc3ccccc23)C1 308770 UPIRTMMOQRPBKD-HUUCEWRRSA-N 333.435 4.485 0 50 EIAA CCCc1cc(C(=O)OCC)c(NC(=O)c2ccccc2OC)s1 370874 WHBGTMXLJKEFJI-UHFFFAOYSA-N 347.436 4.138 0 50 EIAA CC(C)OC(=O)c1c(-c2ccc(Br)cc2)csc1N 442709 JQLSZIYDUQMCQT-UHFFFAOYSA-N 340.242 4.325 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nccnc2c1 445447 DKUWXXQTCIEYEG-UHFFFAOYSA-N 332.285 4.293 0 50 EIAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(C)CC1 2815621 URGYRQCPSCQNNZ-UHFFFAOYSA-N 336.794 4.315 0 50 EIAA CCOc1cc(C(=O)N2CCCCC2)ccc1OCc1ccccc1 2870368 QALIQRBOJXPHKM-UHFFFAOYSA-N 339.435 4.290 0 50 EIAA COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 11636464 UEKKUGBMYVPLPR-NSHDSACASA-N 339.313 4.120 0 50 EIAA Cc1cc(C)c2nc(S[C@H](C)C(=O)N3CCCC3)cc(C)c2c1 11907457 QQDLAGGDRSXUFJ-OAHLLOKOSA-N 328.481 4.263 0 50 EIAA c1ccc(N[C@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1 11938623 HVDVNMUZBSAZHK-KRWDZBQOSA-N 338.480 4.010 0 50 EIAA O=C(c1csc2c1CCCC2)N1CCC[C@@H](Nc2ccccc2)C1 12204040 HBQOZBUVWVSOPL-MRXNPFEDSA-N 340.492 4.344 0 50 EIAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1Cl 16625838 YQFCHTQLBYAFON-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA CCC/C=C/CN1CCC[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 67983369 LKFHWTGYFOMEGV-VPVJOJIASA-N 332.532 4.238 0 50 EIAA Fc1cc(CN2CCC[C@H](c3nccn3CC3CC3)C2)cc(F)c1F 82107850 UJDIEOYWGLNBTH-HNNXBMFYSA-N 349.400 4.090 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@]4(CCCO4)CC3)c(C)c2c1 97514319 KEBBZTBUFVHGIZ-NRFANRHFSA-N 340.467 4.268 0 50 EIAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccn2C)ccc1F 101762844 BZMXTEHVQIGDLB-BJWYYQGGSA-N 326.415 4.023 0 50 EIAA O=C(Nc1ccc2sncc2c1)N1CCC(C(F)(F)F)CC1 194261018 BNCCTMOTWHDMSB-UHFFFAOYSA-N 329.347 4.103 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Cl)c(Cl)c1 227219833 FIAXFZJVOJRGJM-CQDKDKBSSA-N 328.239 4.211 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O 238937255 USGKSIJYOHEDEV-QKMNUUQDSA-N 330.468 4.261 0 50 EIAA biogenic,in-vitro C[C@H](NC(=O)[C@@H]1CCCN1c1ccccc1)c1ccccc1Cl 252571296 XRPBSMHGDOZYBZ-KSSFIOAISA-N 328.843 4.186 0 50 EIAA C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 253501317 XBSQQVJXPODPRW-MPCFDFRISA-N 344.495 4.386 0 50 EIAA Cc1cc(N)nc(SCc2ccc(Cl)cc2Br)n1 303515477 CAJKPDRQYFVZBD-UHFFFAOYSA-N 344.665 4.075 0 50 EIAA Cc1ncc(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)c(C2CC2)n1 366956165 SWEGAUJHROZBJD-KBXCAEBGSA-N 335.451 4.071 0 50 EIAA C[C@H](CCc1c[nH]c2ccccc12)NCc1nc2ccc(F)cc2[nH]1 821175215 POKNEXAUWQXNKE-CYBMUJFWSA-N 336.414 4.294 0 50 EIAA Cc1cccc(OC2CN(C(=O)Nc3c(C)cccc3Cl)C2)c1 825222683 QKIDSBNIUUFQEQ-UHFFFAOYSA-N 330.815 4.252 0 50 EIAA CCc1c(C)noc1NC(=O)c1cc(C)nc2ccc(Cl)cc12 1506422268 PQSBGUAXWZPWLK-UHFFFAOYSA-N 329.787 4.308 0 50 EIAA COc1c(Cl)cc(Cl)cc1-c1nccn1C1CCN(C)CC1 1857698833 KBCBRQRXDSUNJU-UHFFFAOYSA-N 340.254 4.132 0 50 EIAA Cc1ccc(-c2ocnc2C(=O)O[C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 1875293360 NIEZWXFHDCQWMZ-GVDBMIGSSA-N 341.407 4.012 0 50 EIAA CC(CN=c1[nH]cnc2c1CCCC2)(c1ccccc1)c1ccccc1 1875335678 BTQVYYPTPXTPMR-UHFFFAOYSA-N 343.474 4.195 0 50 EIAA CCOC(=O)c1cc(C(F)(F)F)cc2oc(Br)cc12 1875387243 WWLILEHZIFJIHA-UHFFFAOYSA-N 337.091 4.391 0 50 EIAA CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 57198 NOSIYYJFMPDDSA-UHFFFAOYSA-N 326.465 4.444 0 50 EIAA biogenic,world c1nc(Nc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 125764 AGFQOOHDYTTZLE-UHFFFAOYSA-N 325.393 4.042 0 50 EIAA Cc1ccc(C)c(NC(=O)COc2ccccc2Br)c1 141179 YIHUKPHFQDKOPT-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA CCOc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 211106 LKWTXEFJOXUXRU-UHFFFAOYSA-N 346.235 4.193 0 50 EIAA CC[C@H](C(=O)Nc1sc2c(c1C(=O)OC)CCC2)c1ccccc1 1200846 LGNIQOWUVVMHMV-ZDUSSCGKSA-N 343.448 4.156 0 50 EIAA CCCCSc1nc(=O)c2c3c(sc2[nH]1)CO[C@](C)(CC)C3 2197325 JNZXIWDUMSRPPN-MRXNPFEDSA-N 338.498 4.118 0 50 EIAA O=C(Nc1ccccc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 2864004 VVOGBNCJNXZGND-UHFFFAOYSA-N 340.382 4.428 0 50 EIAA Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c2ccsc2n1 4313348 NZILAWPSGGEWDJ-UHFFFAOYSA-N 349.868 4.384 0 50 EIAA O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1c1ccccc1 4991985 ALEHLEAKWRKJFF-FQEVSTJZSA-N 335.790 4.194 0 50 EIAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCSCC1 55108097 OEQIMLYFYXJRFY-UHFFFAOYSA-N 342.386 4.218 0 50 EIAA C/C=C/CC(=O)N1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67673271 HXFQRDVHFLWURW-ONEGZZNKSA-N 343.448 4.116 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2ccc3occc3c2)[C@@H](C)C1 77555598 YQOFAXJLSWQTAU-INIZCTEOSA-N 334.419 4.092 0 50 EIAA Cc1scc(C(=O)N2CCC[C@]3(CCOC3)C2)c1-c1ccccc1 91770082 MLJRPDWENVQAGS-FQEVSTJZSA-N 341.476 4.366 0 50 EIAA CCCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 96026448 ULZPBJFEPSKMKF-OAHLLOKOSA-N 330.255 4.474 0 50 EIAA Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100648036 RXQLTHXVGBGSQG-SLUIBLPYSA-N 347.414 4.323 0 50 EIAA Cc1c(C)c(C)c(CNCc2cnc3c(c2)c(C)nn3C)c(C)c1C 158857900 AHXODBVQVXHXNY-UHFFFAOYSA-N 336.483 4.109 0 50 EIAA CCc1cccc(C)c1NC(=O)CCC(=O)c1ccc(F)cc1F 177729610 HJCCAQGWSVXWRO-UHFFFAOYSA-N 331.362 4.437 0 50 EIAA CO[C@@]1(C)CCCN(C(=O)Nc2sc(C)nc2CC(C)C)CC1 253428357 AEETUUKCCDQHQP-KRWDZBQOSA-N 339.505 4.073 0 50 EIAA CC(C)(C)c1ccc(CN2CCC[C@@H](c3n[nH]cc3C(=N)O)C2)s1 328603125 DWVREGKMUFOSIY-GFCCVEGCSA-N 346.500 4.032 0 50 EIAA Cc1cc(F)ccc1C1CCN(C(=O)[C@@H]2CCC[C@H](C(=N)O)C2)CC1 332400792 VKMBAKZVSFWCEY-JKSUJKDBSA-N 346.446 4.182 0 50 EIAA COC1([C@@H](C)NCc2cccc(Oc3ccccc3)c2)CCOCC1 453056894 HDMRSYCPKRPXTI-QGZVFWFLSA-N 341.451 4.153 0 50 EIAA CC(C)c1nnc(CN2CCC(CCc3ccc(F)cc3F)CC2)o1 653804673 XLVVGMHORRHQPD-UHFFFAOYSA-N 349.425 4.316 0 50 EIAA Cc1oc(C(C)(C)C)cc1CNc1cc([C@H]2CCCOC2)nn1C 894125433 DERRSBPYFHLPTJ-AWEZNQCLSA-N 331.460 4.125 0 50 EIAA OCc1cccc(CN[C@@H](CCCc2ccccc2)c2ccccc2)n1 1875308036 QHSKJCMUACUZRL-QHCPKHFHSA-N 346.474 4.428 0 50 EIAA COc1cc(CN2CC[C@@H](c3ccccc3)CCC2=O)cc(OC)c1 2356153993 CUMXQUMCVJODAS-SFHVURJKSA-N 339.435 4.000 0 50 EIAA O[C@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 4041 GGUSQTSTQSHJAH-HXUWFJFHSA-N 347.861 4.467 0 50 EIAA investigational COc1cc2c(cc1OC)CN(Cc1ccc3ccccc3c1)CC2 207457 PJCLDWQOWBBYNN-UHFFFAOYSA-N 333.431 4.415 0 50 EIAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 228987 XHWFGAHZXGWNOK-QHHAFSJGSA-N 336.174 4.374 0 50 EIAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 277200 OQXFBZAEGKEXTG-INIZCTEOSA-N 348.412 4.459 0 50 EIAA COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1 442899 FYCQIACPSSDIPH-UHFFFAOYSA-N 347.414 4.474 0 50 EIAA Cc1ccc(-n2cc(C=O)c(-c3ccc(Br)cc3)n2)cc1 732133 IHLZZRYJEZNCKC-UHFFFAOYSA-N 341.208 4.423 0 50 EIAA Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1C(=O)O 1115754 PWMZLUGLQXCXKX-UHFFFAOYSA-N 345.398 4.464 0 50 EIAA Cc1c(Cl)cccc1NC(=O)c1cncc(Br)c1 1418818 RVTMSDBZSJZOOY-UHFFFAOYSA-N 325.593 4.058 0 50 EIAA O=C(CSc1ccc(Cl)cc1)NCCSCc1ccco1 2458471 DMZRUHGVBGVJPM-UHFFFAOYSA-N 341.885 4.075 0 50 EIAA C[C@@H]1CCCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)C1 2735146 TWIGODQZHWZWPP-OAHLLOKOSA-N 340.433 4.402 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1 4841637 AOUPUYHFJXOYJB-UHFFFAOYSA-N 346.430 4.307 0 50 EIAA Cc1cccnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 6707011 ZKZPCIDTRKBEBT-UHFFFAOYSA-N 330.453 4.239 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Cl 6730508 QWBZUCOIBZGUIP-UHFFFAOYSA-N 341.798 4.052 0 50 EIAA CCN(Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 12327417 JKTHXBOKGOUMQM-NRFANRHFSA-N 336.479 4.090 0 50 EIAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NCCCc1ccccc1 15064623 WQENKDDTTSYRQO-MRXNPFEDSA-N 332.451 4.130 0 50 EIAA Fc1ccc(-n2c(S)nnc2CSCc2ccccc2)cc1 17068111 KPOFXLIHMQTIBF-UHFFFAOYSA-N 331.441 4.129 0 50 EIAA O=C(Nc1cccnc1)c1ccc(-c2ccc(Br)cc2)o1 22145876 GFKYSLAJNCOQTH-UHFFFAOYSA-N 343.180 4.356 0 50 EIAA COc1cccc(Oc2ccc(NC(=O)c3oc(C)nc3C)cc2)c1 73008831 CBISDXGPHOKPNF-UHFFFAOYSA-N 338.363 4.345 0 50 EIAA Cc1nc([C@H](C)N(C)Cc2nnc(-c3ccccc3)o2)c(C)s1 77299335 NRWIAFALJREVFS-NSHDSACASA-N 328.441 4.003 0 50 EIAA Cc1cc2cccc(C(=O)N3CCCC[C@@H]3CCN3CCCC3)c2o1 82091327 UKEXSNOOTAKRKK-GOSISDBHSA-N 340.467 4.222 0 50 EIAA Cc1[nH]c2c(c1C(=O)N1CCCCC[C@H]1c1ccco1)C(=O)CCC2 91781068 OHEIVHNJOOQBBQ-HNNXBMFYSA-N 340.423 4.193 0 50 EIAA O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@H]2C(=O)N1c1cccc(Cl)c1 101137290 KFWBPLWYFUKRBD-XMTFNYHQSA-N 341.838 4.356 0 50 EIAA O=C(C[C@H]1OCCc2ccccc21)Nc1ccccc1C(F)(F)F 114996081 VUKBHHMRKUEMSP-MRXNPFEDSA-N 335.325 4.348 0 50 EIAA C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 137963116 BELVIBPWPXRFLQ-MLGOLLRUSA-N 347.867 4.461 0 50 EIAA Cc1cc(C)c(CSCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(C)c1 170615347 QUUWFBLDGZAGRN-OALUTQOASA-N 347.524 4.015 0 50 EIAA COC(=O)Nc1ccc(O[C@@H](C)c2noc(-c3ccccc3)n2)cc1 170616317 RDMKIFGPXJZKOR-LBPRGKRZSA-N 339.351 4.055 0 50 EIAA Cc1ncc(-c2ccc(NC(=O)C[C@@H](C)c3c(C)n[nH]c3C)cc2)o1 179441032 LMKJSUQPNSABOH-LLVKDONJSA-N 338.411 4.122 0 50 EIAA CC(C)n1cc(CN(C)Cc2ccc(CN3CCCCC3)s2)cn1 222942036 ZZFQTDDADGPAGT-UHFFFAOYSA-N 346.544 4.143 0 50 EIAA Cc1sc2nc([C@H](C)N3CCC[C@@H](C(C)C)CC3)[nH]c(=O)c2c1C 230273499 VIXKSAZKHSYMDJ-DZGCQCFKSA-N 347.528 4.421 0 50 EIAA c1ccc([C@@H](CCNC2CSCCSC2)c2ccco2)cc1 820424923 KTBJKGQBNLSQRU-QGZVFWFLSA-N 333.522 4.240 0 50 EIAA CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2noc(C3CC3)n2)cc1 1506399708 QAKKTDYBCUPQGE-KRWDZBQOSA-N 337.423 4.185 0 50 EIAA CCSCc1nnc2sc(/C=C/c3ccccc3Cl)nn12 1776110974 CYNSFRVTPWHCGI-BQYQJAHWSA-N 336.873 4.263 0 50 EIAA CC(=O)c1sc(=NCc2cccc3ccc(Cl)cc23)[nH]c1C 1875320107 GZCHBEDUBWVZEY-UHFFFAOYSA-N 330.840 4.495 0 50 EIAA CCc1nc(-c2cc(COC)cs2)n(Cc2ccccc2C)n1 1875347418 ONNJNLOAENQMHH-UHFFFAOYSA-N 327.453 4.072 0 50 EIAA N=c1nc2c(c[nH]1)CCCc1[nH]c3ccc(-c4ccc(F)cc4)cc3c1-2 1875376230 PJFCVWLQATZEIU-UHFFFAOYSA-N 344.393 4.332 0 50 EIAA O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 112639 MRDHWNUJQPOYSU-UHFFFAOYSA-N 334.350 4.330 0 50 EIAA O=C(OCc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1 150340 NMOYKBFAUKIKMN-UHFFFAOYSA-N 332.355 4.263 0 50 EIAA CCCCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 2998141 IOBHZUAYHRVQSV-UHFFFAOYSA-N 333.453 4.283 0 50 EIAA COc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 4839720 GDWFDXNYLMFZCQ-UHFFFAOYSA-N 346.180 4.456 0 50 EIAA CC1CCN(CCOCCOc2ccc(Cl)cc2Cl)CC1 5102296 YJWFUACDYPYYFA-UHFFFAOYSA-N 332.271 4.121 0 50 EIAA COC(=O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 6179523 FAEJKHHYGVHMHO-UHFFFAOYSA-N 345.704 4.262 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC(C)C)cc1 6747383 SSLJJZCIMMKLNP-UHFFFAOYSA-N 340.423 4.465 0 50 EIAA Cc1ccc(OCc2cc(C(=O)N(C)C3CCCCC3)no2)cc1C 12576728 WYWZUAUTEWSSMB-UHFFFAOYSA-N 342.439 4.275 0 50 EIAA Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 13745294 NQOCQZZPOJTCHS-SNVBAGLBSA-N 325.195 4.103 0 50 EIAA COc1ccc(CN2CCN(c3ccccc3)CC2)c2ccccc12 19633181 UKTGPJZPPUPWJN-UHFFFAOYSA-N 332.447 4.171 0 50 EIAA CCn1nccc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 21791796 XMLZQGDCWKZURZ-CQSZACIVSA-N 336.798 4.065 0 50 EIAA C[C@]12CC=C3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 22001460 MCNZISFQKMPWRJ-XXBFSGCESA-N 338.447 4.290 0 50 EIAA in-vitro CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)no1 35511384 RMUKNILPXSKSCR-OAHLLOKOSA-N 335.354 4.445 0 50 EIAA Clc1cccc(CN2CCN(Cc3ccccc3Cl)CC2)c1 96769452 IVGJSJQOZDXYQK-UHFFFAOYSA-N 335.278 4.311 0 50 EIAA Fc1ccccc1C1(NCc2ccc(OC[C@@H]3CCCO3)cc2)CC1 130549669 NIPWSWNEUVXZSW-SFHVURJKSA-N 341.426 4.162 0 50 EIAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1nnc(-c2ccsc2)s1 246401053 JLICEOAGMTWGPD-NTZNESFSSA-N 348.497 4.452 0 50 EIAA CC(C)(CC(=O)NCc1nnc(C2CC2)n1C1CC1)C1CCCCC1 356808508 KJMTXIFEQNAGSL-UHFFFAOYSA-N 344.503 4.103 0 50 EIAA Cc1c(NC[C@@H]2CCO[C@@H](C)C2)cccc1NC(=O)c1ccccc1 408514801 JVMHRFHDDSAEKZ-DOTOQJQBSA-N 338.451 4.474 0 50 EIAA CCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2ccccc2C(N)=O)cc1 426372528 VPNZFGFYUVDWTM-GOSISDBHSA-N 348.446 4.023 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)NC2(C3CC3)CC2)CC1 534660528 ASURUVXCUDJPOI-UHFFFAOYSA-N 330.497 4.204 0 50 EIAA Cc1cc(C)cc([C@@H](NC2CCC(N(C)C)CC2)c2cccnc2)c1 796758391 DPPJUFQMVUUXPH-HRTMPFAESA-N 337.511 4.250 0 50 EIAA Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)cc2sc(N)nc12 952970373 SSXMBFITQCRSRR-UHFFFAOYSA-N 341.436 4.226 0 50 EIAA O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2occc2c1 1198854474 COUUQWIDNTWWCX-UHFFFAOYSA-N 325.748 4.026 0 50 EIAA CO[C@H](C)c1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1 1506397726 GQDXEEDAOXZQJK-CQSZACIVSA-N 330.391 4.166 0 50 EIAA COc1cc(-c2onc(N[C@H](C)CC(C)C)c2C(=O)O)ccc1F 1704308865 SKTMSOZCWMCODQ-SNVBAGLBSA-N 336.363 4.034 0 50 EIAA CC(C)c1cc(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)no1 1875250367 SGEUUYNAKNQZPB-UXHICEINSA-N 328.456 4.396 0 50 EIAA CC[C@]1(CC(=O)Nc2cc(C)cc(O)c2)CC(=O)c2ccccc2C1 1875268767 DEANUAJWQQHMGJ-OAQYLSRUSA-N 337.419 4.255 0 50 EIAA O=C(c1cc2sc(Cl)cc2[nH]1)N1CC=C(c2ccccc2)C1 1875340594 JOZFNLSCIRULGO-UHFFFAOYSA-N 328.824 4.422 0 50 EIAA CS[C@H]1C[C@@H](CNC(=O)Nc2cccc(Oc3ccncc3)c2)C1 2325810567 RJIQTQKDSIGLDR-XFHMXUHZSA-N 343.452 4.137 0 50 EIAA O=C(O)[C@@H]1[C@H]2Cc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc3[C@H]21 2325853298 KZBCXTPOFWQBFZ-KSEOMHKRSA-N 330.427 4.301 0 50 EIAA COc1ccccc1[C@H](O)c1nc2ccccc2n1Cc1ccccc1 266687 BQBITIRKQSSNFH-NRFANRHFSA-N 344.414 4.175 0 50 EIAA O=S(=O)(Nc1ccncc1)c1ccc(-c2ccc(Cl)cc2)cc1 387194 INQHPCYNYWMARL-UHFFFAOYSA-N 344.823 4.203 0 50 EIAA Clc1cccc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 613498 FCJRFMVWQYFGGG-UHFFFAOYSA-N 326.812 4.097 0 50 EIAA O=C(C[C@H]1Sc2ccccc2N=C1O)Nc1ccc(F)cc1F 1306661 WQXXUFNTHKIPDE-CQSZACIVSA-N 334.347 4.056 0 50 EIAA COc1ccccc1COc1ccc2c3c(c(=O)oc2c1)CCCC3 2996681 FLXDNCOIRPKUDE-UHFFFAOYSA-N 336.387 4.259 0 50 EIAA biogenic O=C(CCNc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 8773174 RCBVYVVYUVWQQO-UHFFFAOYSA-N 337.297 4.119 0 50 EIAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)C2CCCCC2)c1 10778809 FCFPYMJHAGIXDO-UHFFFAOYSA-N 336.863 4.341 0 50 EIAA CSc1ccc(CN2CCN(Cc3ccc(C)cc3)CC2)cc1 19832128 KDBCURNQHVDGDF-UHFFFAOYSA-N 326.509 4.035 0 50 EIAA COc1ccc(-c2csc(N)n2)cc1-c1cccc(-c2cc[nH]n2)c1 20598220 DGCKLZHGJOJSPF-UHFFFAOYSA-N 348.431 4.458 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1 38670783 ISASBCCXPKEGPL-UHFFFAOYSA-N 349.390 4.228 0 50 EIAA CC(C)c1cc(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)no1 55393316 PMOYIZKROPPKFK-UHFFFAOYSA-N 330.472 4.363 0 50 EIAA CC[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccnn1C 91908169 WAQCTZZWQQWZOY-CQSZACIVSA-N 343.814 4.215 0 50 EIAA CCCCN(Cc1ccc(Cl)cc1)C(=O)Nc1cn(C)nc1C 96152748 SEMKGQMTAPDJPR-UHFFFAOYSA-N 334.851 4.216 0 50 EIAA Cc1nnc(-c2ccc(C)c(NC(=O)N[C@@H](C)C3=CCCCC3)c2)o1 96164825 ZTHRKAATBNQUDP-ZDUSSCGKSA-N 340.427 4.364 0 50 EIAA FC(F)(F)c1ccccc1[C@@H]1C[C@H]1c1nc(C2CCOCC2)no1 113751991 OSYMHWYRAZEZFX-QWHCGFSZSA-N 338.329 4.254 0 50 EIAA O=C(Cc1cncn1Cc1ccccc1)Nc1cccc(C(F)F)c1 253418522 VTXOMVFYSRUXOK-UHFFFAOYSA-N 341.361 4.050 0 50 EIAA Cc1sc(NC(=O)c2conc2C2CC2)nc1-c1ccc(F)cc1 253419432 RRXXZADKRQRDBF-UHFFFAOYSA-N 343.383 4.375 0 50 EIAA Cc1cnccc1CC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 280623784 HBJYOUUDYOVZSH-JCNLHEQBSA-N 348.368 4.014 0 50 EIAA C/C=C(\C)C(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 299778764 PTXSPGZCCZXNKK-ZXDCMVLGSA-N 347.867 4.454 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H](C(C)C)O1 1529173522 XTNSKJPRRAYANR-CZUORRHYSA-N 325.399 4.021 0 50 EIAA CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)C(F)(F)F 1857531243 VSLKCTKNBKOYPP-UHFFFAOYSA-N 331.725 4.285 0 50 EIAA Cc1cc(-c2csc(NC(=O)[C@H](C)n3cccc3)n2)c(C)s1 1875254514 WKHSIXJOTLALPB-NSHDSACASA-N 331.466 4.490 0 50 EIAA O=C(N[C@@H](CF)c1ccccc1)c1c[nH]nc1-c1ccc(Cl)cc1 1875262308 AJBCNWWDXCEMTD-INIZCTEOSA-N 343.789 4.171 0 50 EIAA O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(F)cc1 70043 RBALCGIVRZLMBV-IBGZPJMESA-N 334.350 4.302 0 50 EIAA Cc1ccc(OCC(=O)OCc2cccc(Br)c2)cc1C 151107 MMPMQNRGVWIVGG-UHFFFAOYSA-N 349.224 4.188 0 50 EIAA CCC(=O)c1ccccc1NC(=O)c1ccccc1Br 285704 LUVJRGOTIYPJSM-UHFFFAOYSA-N 332.197 4.294 0 50 EIAA Cc1cc(OC[C@@H](O)CN[C@H](C)c2ccccc2)cc(C)c1Cl 2674787 ZCYYUSJJSWGWPN-WBVHZDCISA-N 333.859 4.047 0 50 EIAA COc1cc(C)ccc1S(=O)(=O)Oc1c(Cl)cccc1Cl 2836254 LRGBCZUEPYGPOP-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA CCCCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 2952585 KUPGXFKFKAZHAN-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA CC(=O)c1c(C)nn([C@H](C)CC(=O)Nc2cc(Cl)ccc2C)c1C 6702752 UMTXPVDDXLBOPS-LLVKDONJSA-N 347.846 4.254 0 50 EIAA c1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 9486389 QXQIODSBSPAAAH-UHFFFAOYSA-N 329.388 4.068 0 50 EIAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC1CCSCC1 12303931 GDWKZICQANJKSQ-HNNXBMFYSA-N 348.560 4.102 0 50 EIAA COCc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)o1 12580280 XKYKDEIQEXVBEH-HNNXBMFYSA-N 347.842 4.174 0 50 EIAA CCCc1[nH]c([C@@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccccc1 19770647 IPCQWYXZQXYIIW-MRXNPFEDSA-N 325.456 4.001 0 50 EIAA CC[C@H](C)[C@H](c1nc(C(C)(C)C)no1)N1Cc2ccccc2C1=O 19794382 UHEVAIAAMLCHAK-SWLSCSKDSA-N 327.428 4.110 0 50 EIAA CC/C=C\C/C=C\C[C@@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 34961899 DNPZYIPMAWRQQE-WFPHMWACSA-N 336.472 4.158 0 50 EIAA in-vitro Brc1ccc(CN[C@H](c2ccccc2)c2nccs2)o1 190908680 KFMUKBDBTQQLKO-CQSZACIVSA-N 349.253 4.378 0 50 EIAA CN(C(=O)CCc1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[C@@H]1O 220246902 ZGBOJRSAVKLCAV-RTWAWAEBSA-N 337.463 4.048 0 50 EIAA CSc1cccc(F)c1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 253395005 KYWGYVVZPKCGPB-UHFFFAOYSA-N 344.411 4.075 0 50 EIAA NC1(c2noc([C@H]3C[C@H]3c3cccc(C(F)(F)F)c3)n2)CCCC1 261878223 WAJPPUOGOYWNQJ-STQMWFEESA-N 337.345 4.088 0 50 EIAA CCN(C(=O)c1ccc(-c2sccc2C)cc1)[C@@H]1CCCC[C@H]1O 299756068 BGWJMSJYPLKWJM-QZTJIDSGSA-N 343.492 4.489 0 50 EIAA O=C1CC[C@@H](CCNCc2ccccc2)N1Cc1ccc(Cl)cc1 299770876 NRFTWJDRVXQOOK-IBGZPJMESA-N 342.870 4.011 0 50 EIAA Cc1ccc(Oc2ccccc2)c(NC(=O)CCc2ccc(O)nc2)c1 408514872 AAJBREJWYLKQBR-UHFFFAOYSA-N 348.402 4.459 0 50 EIAA CCC[C@H](C)C(=O)Nc1nc2ccccc2n1CCc1ccccn1 480353410 KZMSLCKWPQPPTH-HNNXBMFYSA-N 336.439 4.049 0 50 EIAA COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1O 602993559 PEHIDGDETKVDSD-UHFFFAOYSA-N 337.713 4.019 0 50 EIAA Cc1ccc([C@@H](NCc2nc(C(C)C)ns2)c2ccccn2)cc1 930279592 NLLOLSACRPANGW-GOSISDBHSA-N 338.480 4.244 0 50 EIAA O=C(Nc1cccc(NC(=O)NC2CC2)c1)Nc1ccccc1Cl 1875252694 PTIDCSYYYPUBGB-UHFFFAOYSA-N 344.802 4.268 0 50 EIAA C[C@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc2n(n1)CCC2 1875328932 SUXXTYAQXJGWTH-HNNXBMFYSA-N 343.434 4.317 0 50 EIAA Clc1ccc2c(n1)CCC[C@H]2NCCc1cccc2cc[nH]c12 2325750934 FPXCAVGFYABPGL-MRXNPFEDSA-N 325.843 4.426 0 50 EIAA O[C@@H](Cn1nc(-c2ccccc2)cc1-c1ccccc1)C(F)(F)F 2325821337 GDSGPSYTSCZLOY-KRWDZBQOSA-N 332.325 4.140 0 50 EIAA COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)C23CCCC3)cc1 111933 KNCCXERJPCMRDH-IBGZPJMESA-N 337.419 4.352 0 50 EIAA biogenic CN(C)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 181760 ARHYCXNCAGKFGX-UHFFFAOYSA-N 332.856 4.421 0 50 EIAA biogenic COc1cc(OC)cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 311178 VRBACWBFWCATJH-UHFFFAOYSA-N 343.276 4.114 0 50 EIAA COc1ccccc1-c1cc(C(F)(F)F)n2nc(C)c(Cl)c2n1 1384282 WWCDDLSFJOOZTL-UHFFFAOYSA-N 341.720 4.386 0 50 EIAA CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)ccc2C)c1 2998736 QRESHXWHCDIUPD-UHFFFAOYSA-N 342.464 4.219 0 50 EIAA CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C)CC3 5515890 JGEMVOKQRNOKBH-LLVKDONJSA-N 342.489 4.294 0 50 EIAA Cn1nc(-c2ccccc2)c([C@H](O)c2ccc(Cl)cc2)c1Cl 6925447 YHDAICFSKYFDPB-MRXNPFEDSA-N 333.218 4.476 0 50 EIAA O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccs2)on1 6926716 BZMJWSVVMXRPSV-UHFFFAOYSA-N 328.437 4.102 0 50 EIAA COCc1ccc(CN2CCC[C@H](Nc3ccc(C)c(C)c3)C2)o1 15076164 OYLMSOZYPOBJJL-SFHVURJKSA-N 328.456 4.119 0 50 EIAA Fc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccco3)C2)c1 19111175 CTSYILICOQCVRK-OAHLLOKOSA-N 325.387 4.188 0 50 EIAA O=C(NCCc1ccccc1)N1CCC[C@@H]1c1ccc(Cl)cc1 31042454 JLOWAANIVDBKBM-GOSISDBHSA-N 328.843 4.429 0 50 EIAA COc1cc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc(OC)c1 36621151 HNWUSBZGGPVSJD-SFHVURJKSA-N 344.386 4.212 0 50 EIAA c1ccc(OCCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)cc1 65489829 LDSVXIMQTVSHSJ-SFHVURJKSA-N 334.419 4.133 0 50 EIAA FC(F)(F)Sc1cc(I)c2ocnc2c1 95829822 OQKKBQNJNFHNTQ-UHFFFAOYSA-N 345.083 4.044 0 50 EIAA CN(C(=O)Nc1ccccc1Cc1ccccc1)[C@@H]1CCCC[C@@H]1O 97553269 AVBASSSHKOMZCD-UXHICEINSA-N 338.451 4.045 0 50 EIAA CC(C)[C@H](C)n1nccc1NC(=O)NCc1ccc(Cl)s1 97713728 DWUTXRNZZWPNTH-JTQLQIEISA-N 326.853 4.137 0 50 EIAA C[C@@H]1[C@H]2C=C[C@@H](C2=C2CCCC2)[C@@H]1C(=O)N(C=O)Cc1ccccc1 103216841 MIWDHVWXSSWBNK-HUYLIWGRSA-N 335.447 4.110 0 50 EIAA c1ccc(OCc2ccc(-c3noc([C@@H]4CCCOC4)n3)cc2)cc1 113719505 BJMDUZDOZWBGNJ-QGZVFWFLSA-N 336.391 4.210 0 50 EIAA CCc1cc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)on1 244718979 LUMRCILMYXNINM-CQSZACIVSA-N 344.480 4.054 0 50 EIAA Cc1cnccc1NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 252480710 CDWOFJQIMKXMFU-ZDUSSCGKSA-N 331.366 4.080 0 50 EIAA CCc1c(NCc2nc3ccccc3o2)cnn1-c1ccccc1C 684096465 XITZQZKKSGAWPW-UHFFFAOYSA-N 332.407 4.496 0 50 EIAA COc1cccc([C@H]2CCN(c3nc4ccccc4s3)C2)c1OC 1704325583 QFCHQDFWXAPTRT-ZDUSSCGKSA-N 340.448 4.307 0 50 EIAA CCn1nccc1[C@@H](C)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 1875285675 VVIGAJCERANCRA-MRXNPFEDSA-N 340.471 4.011 0 50 EIAA CC(C)c1cc(C(=O)N[C@@H](C)C23CCC(CC2)C3)nn1C(C)(C)C 1875355816 ASRLGVYOZINUJQ-BQTBQCLESA-N 331.504 4.460 0 50 EIAA CCC(NC(=O)Nc1ccccc1OC)(C(F)(F)F)C(F)(F)F 198561 BVEOAVZHLIVWLV-UHFFFAOYSA-N 344.255 4.090 0 50 EIAA biogenic O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(O)c1 226974 IFANMHNUPMDDBO-UHFFFAOYSA-N 333.343 4.010 0 50 EIAA O=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 446192 IODNBYBZEIGTHI-UHFFFAOYSA-N 327.181 4.114 0 50 EIAA CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1 2534236 YATGANCZYPICPO-UHFFFAOYSA-N 349.312 4.237 0 50 EIAA COc1cc(/C=C/c2ccc3cccc(OC)c3n2)ccc1OC(C)=O 4998376 UGSSENCXDCDQTO-JXMROGBWSA-N 349.386 4.348 0 50 EIAA CCN(CC)c1ccc(Cc2c(OC)cc(OC)cc2OC)cc1 5311793 MSNQJPLMSHUTIZ-UHFFFAOYSA-N 329.440 4.149 0 50 EIAA Cc1cnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 8906281 NRIJAMOCHGPNTQ-UHFFFAOYSA-N 333.800 4.321 0 50 EIAA CCOc1ccc(NS(=O)(=O)c2ccc([C@H](C)CC)cc2)cc1 14256122 BUVIRWWSBJACHB-CQSZACIVSA-N 333.453 4.400 0 50 EIAA COc1cccc(NC(=O)Nc2nnc(-c3cccc(C)c3)s2)c1 17970015 QWHDLPHDUKYVTR-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccccc1Cl 28291979 QXJFHYRHOQQAFI-IBGZPJMESA-N 342.870 4.297 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC21OCCO1 61946908 SXXRMGBMPQWUTB-GTYQWKCWSA-N 332.484 4.053 0 50 EIAA CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1 67834480 AKBGKHDTKCRPMJ-UHFFFAOYSA-N 339.464 4.023 0 50 EIAA CSc1cccc(CN(C)C(=O)C2(c3ccc(F)cc3)CC2)c1 91548127 GSCLHLGUTLZKGH-UHFFFAOYSA-N 329.440 4.238 0 50 EIAA O=C(c1ccc2ncsc2c1)N1CCC2(CCc3ccccc32)CC1 97527352 KZGSTFBJSTZPJH-UHFFFAOYSA-N 348.471 4.417 0 50 EIAA COCCc1ccccc1NC(=O)N[C@H]1CCc2cc(Cl)ccc21 189455340 HZUKDIMCIMPYDT-SFHVURJKSA-N 344.842 4.338 0 50 EIAA C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C(F)(F)F)C1 229178512 KQPLJPLDBPQFIU-NXEZZACHSA-N 331.363 4.133 0 50 EIAA COc1ccc(C)c(NC(=O)c2ccc(OC)cc2OC(C)C)c1 252495004 OKLAOMBDBFSYPD-UHFFFAOYSA-N 329.396 4.052 0 50 EIAA C[C@H](C(=O)Nc1ccc2c(N(C)C)nccc2c1)c1ccsc1 1460270685 DJTSMKYGAQJDRW-LBPRGKRZSA-N 325.437 4.105 0 50 EIAA N[C@H](c1noc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)n1)C1CC1 2325752262 FOWVIHLQBGQRQI-AWEZNQCLSA-N 349.312 4.425 0 50 EIAA COc1ccc2oc(-c3cccc(Br)c3)cc(=O)c2c1 265301 WDYCTFXBQOLGLK-UHFFFAOYSA-N 331.165 4.231 0 50 EIAA COc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 398402 ASORVVPNTODYQT-UHFFFAOYSA-N 336.775 4.010 0 50 EIAA COc1cccc(CNc2ccc(Br)cc2C)c1OC 437289 LVQDFUYWJQCMMR-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA COc1ccccc1Cc1noc(-c2ccc(Br)cc2)n1 442848 FSNIFMDTXWWQQK-UHFFFAOYSA-N 345.196 4.099 0 50 EIAA O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccnc1 609255 COSGRCIBBQUQIV-UHFFFAOYSA-N 330.387 4.350 0 50 EIAA Cc1cccc2sc(NC(=O)CSCc3ccccc3)nc12 2865501 DANKWMVUMSFTLF-UHFFFAOYSA-N 328.462 4.477 0 50 EIAA CCc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 2879363 KMMLFOOZFSUDEZ-CQSZACIVSA-N 344.414 4.390 0 50 EIAA Cc1cc(C)c(NC(=O)c2ccco2)c(C)c1NC(=O)c1ccco1 4512086 SAGKONYZTXCLRC-UHFFFAOYSA-N 338.363 4.302 0 50 EIAA O=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 4702108 QKGSIAHFSHYDIY-UHFFFAOYSA-N 325.589 4.494 0 50 EIAA CCn1cc([C@H]2CC(=O)N(c3ccccc3C)C2=O)c2ccccc21 4853982 IPHAEAGNDSJSOY-MRXNPFEDSA-N 332.403 4.017 0 50 EIAA O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cccs1 6746816 UIABTENITYYEHG-GFCCVEGCSA-N 337.828 4.212 0 50 EIAA c1csc(-c2cc(-c3nn4cnnc4s3)c3ccccc3n2)c1 12321442 DZZBLNZODVOYBT-UHFFFAOYSA-N 335.417 4.130 0 50 EIAA Cc1c(C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)oc2c(F)cccc12 12573721 UKWOLWCTCNNMKG-CQSZACIVSA-N 345.414 4.348 0 50 EIAA Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(Cl)c4)C3)n2)o1 12752056 CFJNWSWIMPJVJE-CQSZACIVSA-N 340.814 4.087 0 50 EIAA CCCSc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1 16624847 GEUFFZKZEDAVNG-UHFFFAOYSA-N 344.465 4.149 0 50 EIAA O[C@H]1C[C@@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 25762866 MAOWNDYORGAXCL-NZQKXSOJSA-N 328.411 4.250 0 50 EIAA COc1ccc(C(C)C)cc1[C@H]1CC(=O)Nc2c1cnn2CC(C)C 65371874 PTXPHZLEVQUIBE-OAHLLOKOSA-N 341.455 4.145 0 50 EIAA COc1ccccc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72149185 SICPHZYSEYYPCR-UHFFFAOYSA-N 330.391 4.246 0 50 EIAA Cc1cc(N2CCC(OCc3cccnc3)CC2)nc2ccccc12 77407544 URWJGWHSMSDJES-UHFFFAOYSA-N 333.435 4.124 0 50 EIAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2O)n[nH]1 96148067 WZSCKUIMXCXGSW-LJQANCHMSA-N 347.418 4.068 0 50 EIAA CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1cccc2ccccc12 101348367 IATZVCSONYEVMW-IBGZPJMESA-N 328.371 4.061 0 50 EIAA C[C@H](N[C@H](C)c1nnc(-c2cccc(F)c2)s1)c1cccc(O)c1 241371277 MMBXREIUGNSRPO-NWDGAFQWSA-N 343.427 4.462 0 50 EIAA COc1ccc([C@@H](C)CNc2ccc(C(=O)NC(C)C)cc2C)cc1 253428072 ORWLQRMCRMFAMI-INIZCTEOSA-N 340.467 4.357 0 50 EIAA O=C(O)[C@H]1CCCCN1Cc1ccc(Oc2cccc(F)c2)cc1 263436075 USGPVQHBMDFEOE-GOSISDBHSA-N 329.371 4.057 0 50 EIAA COc1cccc([C@@H]2CCCN2C(=O)c2cccc(-n3cccc3)c2)c1 346012385 LPESQPKDMDCYFU-NRFANRHFSA-N 346.430 4.463 0 50 EIAA CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C3CCCCC3)cc2)C1 492795645 YVKAACLMYYBRFH-RTWAWAEBSA-N 340.511 4.291 0 50 EIAA Cc1nc(C(C)C)oc1COC(=O)Cc1ccc(-n2cccc2)cc1 813227683 PAXOVVBINXMEGU-UHFFFAOYSA-N 338.407 4.183 0 50 EIAA COc1ccc(C)cc1CNCCc1ccc(N2CCCCC2)cc1 916838754 AWJHBBYLMOTBSF-UHFFFAOYSA-N 338.495 4.326 0 50 EIAA Cc1ccc(Cl)c(CN(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1F 1704301122 LEWZHCRGVPLNRH-GEEKYZPCSA-N 338.898 4.338 0 50 EIAA O=C(Nc1cccc([C@H](F)C(F)(F)F)c1)c1cnn(C2CC2)c1 1776000055 XYZIQOKRSUNFPE-ZDUSSCGKSA-N 327.281 4.043 0 50 EIAA CC(C)n1cc(-n2ccnc2-c2ccc([C@@H]3CCCCO3)o2)cn1 1857691156 XCTBDUKEQXPDBE-HNNXBMFYSA-N 326.400 4.151 0 50 EIAA CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(F)c(O)c1)CCO2 2325773825 ISBLXJMSBLQQSB-YVEFUNNKSA-N 331.387 4.104 0 50 EIAA Cc1cccc(C)c1NC(=O)CSc1nc2ccc(N)cc2s1 60411 FOJCXDHSVUCZOR-UHFFFAOYSA-N 343.477 4.226 0 50 EIAA Cc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2Cl)c1 258901 PCCCLZWXVQMHKT-UHFFFAOYSA-N 325.195 4.023 0 50 EIAA CCCn1c[n+](Cc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 388835 CDYPBUCGSPGMFM-UHFFFAOYSA-N 335.471 4.045 0 50 EIAA COc1ccc(OC)c(NC(=O)c2cc(Cl)ccc2Cl)c1 434614 NPEZADSSSVGIEG-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA O=c1c2ccccc2nc(-c2ccccn2)n1-c1ccc(Cl)cc1 448149 WTGZBRAPNRXHHK-UHFFFAOYSA-N 333.778 4.101 0 50 EIAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 514292 BEHWGDBNNRAMKA-JTQLQIEISA-N 340.206 4.408 0 50 EIAA Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3Cl)sc2n1 1420998 GNKACMYKPCYTCX-UHFFFAOYSA-N 345.855 4.079 0 50 EIAA Clc1ccc(Cl)c(-c2nn3c(-c4cccnc4)nnc3s2)c1 4511744 LDQMQNZZTRIUIA-UHFFFAOYSA-N 348.218 4.222 0 50 EIAA O=C(Nc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)O 4776731 KIONZGHZKBBTFJ-UHFFFAOYSA-N 325.151 4.336 0 50 EIAA CCN1CCC(N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)CC1 11821497 ZCAUEWMCBJHBIE-FQEVSTJZSA-N 329.532 4.171 0 50 EIAA CC(=O)c1c(N)nc(-c2ccccc2)nc1SCc1ccccc1 12380060 BWGIECJEQVGDRP-UHFFFAOYSA-N 335.432 4.221 0 50 EIAA CCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 14225357 NLLOEJILIGVVAS-UHFFFAOYSA-N 343.370 4.459 0 50 EIAA COc1ccccc1/C=C/CN1CCC[C@@H]2CN(CC(C)C)CC[C@@H]21 15003853 LNMARHDETXIIMZ-ULJFZEHQSA-N 342.527 4.151 0 50 EIAA CCCN(Cc1ccc(SC)cc1)Cc1cccc(OCCO)c1 55035940 UFOQSSXRDVIEAK-UHFFFAOYSA-N 345.508 4.192 0 50 EIAA CCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(C)c(F)c1 65384143 FOABOTLQKBUHEG-OAHLLOKOSA-N 342.370 4.177 0 50 EIAA Cc1nc(-c2cccc(-c3ccc([C@@H](C)N4CCOCC4)cc3)c2)no1 67654896 LUCXVYOHCSMDNG-OAHLLOKOSA-N 349.434 4.105 0 50 EIAA CC(C)OC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 96026439 DMDYLVAVEWWUGG-OAHLLOKOSA-N 330.255 4.472 0 50 EIAA c1ccc(-c2cnn3cc(CN4CC[C@H]4c4ccccc4)cnc23)cc1 97681909 WXNHFOFJPISDNA-NRFANRHFSA-N 340.430 4.343 0 50 EIAA CC(C)Sc1ccccc1NC(=O)c1cc(-n2cccn2)ccn1 122424421 VYSZLURPMJMSQW-UHFFFAOYSA-N 338.436 4.020 0 50 EIAA Cc1cc([C@H](C)NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)s1 182341547 VAZMTLURJLEGMO-BLLLJJGKSA-N 332.473 4.086 0 50 EIAA Cc1cc(C(=O)N[C@H]2CCOc3c(F)cccc32)c(C)n1C(C)C 188974570 ODYNQJYCMCYYAU-KRWDZBQOSA-N 330.403 4.079 0 50 EIAA CC(C)(C)n1ncnc1CSc1nnc(-c2cccc(Cl)c2)o1 225749342 XLIPNYWMXLLKKC-UHFFFAOYSA-N 349.847 4.029 0 50 EIAA O=S1(=O)C[C@]23CC=CC[C@@]2(CC[C@H]2CC[C@@H]4CCCC[C@H]4[C@@H]23)C1 247346477 URACDKFMGOHETL-IOXPTURASA-N 334.525 4.364 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(Cl)sc1Cl 263095232 IHRWTIOLORVNBX-GDPRMGEGSA-N 334.268 4.273 0 50 EIAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@@H]1CCO[C@H](C)C1 408513819 HBPJBMWDCWXQGG-NTZNESFSSA-N 342.266 4.254 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)c2ncoc2C(C)C)cc1C 952868618 DVYDBDVLKSHHEE-UHFFFAOYSA-N 343.427 4.487 0 50 EIAA Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)c2cc[nH]c2C)c1 952963710 ICWNKEXFHWMTKN-UHFFFAOYSA-N 333.391 4.136 0 50 EIAA Clc1nc(NCc2ccnc(OCC3CC3)c2)c2ccccc2n1 1472687077 RDKYSPDHXXDRFB-UHFFFAOYSA-N 340.814 4.079 0 50 EIAA CCCCCc1nc(-c2cn(C)c3ccccc23)n([C@@H]2CCOC2)n1 1772712935 VYBYKWVVZICKRE-OAHLLOKOSA-N 338.455 4.131 0 50 EIAA COc1ccc(Cc2ccc([C@@H](C)N3CCCC3)cc2)cc1OC 1772815964 BDAVOYJKAXQREH-MRXNPFEDSA-N 325.452 4.451 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@H](C(C)C)O1 1857720204 JLWLFJQFGWKXQM-OXQOHEQNSA-N 342.483 4.234 0 50 EIAA CCCCc1nc(C[C@H](C)C(F)F)n(-c2cc(F)cc(F)c2)n1 1875348354 OKELEXVHVIGVSH-JTQLQIEISA-N 329.341 4.332 0 50 EIAA O=C(N[C@H]1CCCCc2ccccc21)c1c[nH]nc1-c1ccccc1F 1875349098 MLVSWANFVJWHAM-IBGZPJMESA-N 349.409 4.413 0 50 EIAA Oc1cccnc1SCc1ccc(Br)c(Cl)c1 2325874259 GAPBXDMNRVQZCG-UHFFFAOYSA-N 330.634 4.495 0 50 EIAA COc1ccc(COC(=O)Nc2ccc(Br)cc2)cc1 401727 WYKDJXKZRORXPZ-UHFFFAOYSA-N 336.185 4.206 0 50 EIAA Cc1sc(C(=O)Nc2ccc3ccccc3c2)cc1CC(=O)O 403668 VYXMAWNVLKCEAC-UHFFFAOYSA-N 325.389 4.089 0 50 EIAA Cc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)nc1 1021585 KBCIOOORSMFPRR-UHFFFAOYSA-N 345.761 4.398 0 50 EIAA COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O 1863457 ADFOLUXMYYCTRR-ZIAGYGMSSA-N 330.424 4.172 0 50 EIAA biogenic,in-vitro CCCCC/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\CCCC(=O)O 4655418 DCJBINATHQHPKO-VHVLZKDYSA-N 338.488 4.382 0 50 EIAA endogenous,in-man CCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 4998597 IVJFQQMOLZNXDG-UHFFFAOYSA-N 346.239 4.060 0 50 EIAA CC(=O)c1cccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)c1 12710433 HLORNTWUWPMJKN-SFHVURJKSA-N 341.476 4.354 0 50 EIAA O=C(c1cccc(Cl)n1)N1CCCC[C@@H]1CCc1ccc(O)cc1 55307541 DQLSXZSKRMIUHE-OAHLLOKOSA-N 344.842 4.068 0 50 EIAA CCCc1cc(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)cs1 91270217 NULOWNPFXHGUAD-QGZVFWFLSA-N 345.512 4.291 0 50 EIAA Cc1scc(C(=O)N2CCC[C@@]3(CCOC3)C2)c1-c1ccccc1 91770084 MLJRPDWENVQAGS-HXUWFJFHSA-N 341.476 4.366 0 50 EIAA O=C(/C=C/c1ccccc1)N1CCC[C@H](c2nccn2CC2CCC2)C1 95359222 MLBPWQLKSFOKRS-SGWGQVFISA-N 349.478 4.103 0 50 EIAA O=C(N[C@H](c1ccccc1)c1ccncc1)C1CCC(F)(F)CC1 128987359 DPTRLSNIWPDEDE-QGZVFWFLSA-N 330.378 4.113 0 50 EIAA C[S@@](=O)c1cccc(N[C@@H](c2ccccc2)c2ccc(F)cn2)c1 170594422 LYCQSKLLUKYIPA-YADARESESA-N 340.423 4.160 0 50 EIAA CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)c1 225690389 CXOOGOJXUAEVCE-ZFWWWQNUSA-N 325.399 4.477 0 50 EIAA CC(C)n1ccnc1CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 241121755 JDRRVYOKNHZBBR-LBPRGKRZSA-N 327.350 4.213 0 50 EIAA C[C@@H]1CC[C@H](Nc2ccc3nc(C4CC4)oc3c2)[C@H](n2cncn2)C1 285045718 IGILZVYQJRQFNL-ISTRZQFTSA-N 337.427 4.139 0 50 EIAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)Nc1cscc1C)C2 333542417 OBLAMEXCZDQEAA-UHFFFAOYSA-N 346.452 4.270 0 50 EIAA O=C(O)c1c(N[C@@H]2C[C@@H]3CC[C@H]2C3)noc1-c1ccc(Cl)cc1 1704304595 HGCZLTNODMEYMX-SUZMYJTESA-N 332.787 4.294 0 50 EIAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccc(F)cc1Cl 1857667028 CJOHWUCZGGJJDF-YXJHDRRASA-N 339.838 4.175 0 50 EIAA O=C(COc1ccc(Cl)c(F)c1)O[C@@H]1CCC[C@H]1c1cccnc1 2325717014 DLANKNPNJDAJSA-WMLDXEAASA-N 349.789 4.132 0 50 EIAA Cc1ccc(-c2csc(NC(=O)/C=C/c3cncs3)n2)cc1 2325748770 ISDZUIYDIFJMQQ-VOTSOKGWSA-N 327.434 4.227 0 50 EIAA Cc1cc(NC(=O)N2CCC[C@H]2c2cc(F)ccc2F)n(C(C)C)n1 2325807932 KIAMVCIQUNDHEM-INIZCTEOSA-N 348.397 4.420 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)c1cc2ccccc2oc1=O 145427 URFJUDWTWIRXJJ-UHFFFAOYSA-N 343.766 4.016 0 50 EIAA O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2)cc1 446081 OEEKQJMMWHQSCV-UHFFFAOYSA-N 344.823 4.203 0 50 EIAA Cc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1C 451003 ZHAQEYOGICKUQY-UHFFFAOYSA-N 332.856 4.013 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)cc1OC 460464 MIBDGHRUHQBXJU-VQHVLOKHSA-N 325.408 4.281 0 50 EIAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 464978 NCEZRNPRCORQAF-LBPRGKRZSA-N 330.428 4.466 0 50 EIAA O=C1OC(=C(c2ccccc2)c2ccccc2)C=C1Br 2173165 OEFNJXJOGNUEKG-UHFFFAOYSA-N 327.177 4.282 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@]43C)OCCO5)[C@@H]1CCC2=O 2562696 QGISYVREUUQQKE-VFPCOIFRSA-N 332.484 4.341 0 50 EIAA Cc1ccc(OCn2ccc(C(=O)Nc3c(C)cccc3C)n2)c(C)c1 2796509 SKCCBOINCXMHRR-UHFFFAOYSA-N 349.434 4.406 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)C(=O)c1c[nH]c2ccccc12 2876743 VKBVETCJOBNXGQ-UHFFFAOYSA-N 332.281 4.008 0 50 EIAA Cc1cc(C)cc(OCCOCCOc2cccc3cccnc23)c1 2985808 NWUGPNIPTLWGLF-UHFFFAOYSA-N 337.419 4.326 0 50 EIAA OCc1cnc(SCc2ccc(Cl)cc2)n1Cc1ccccc1 4003037 YLVBEKSZVSERGP-UHFFFAOYSA-N 344.867 4.369 0 50 EIAA COc1cccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 4955912 QMVSIWSXZWDYER-CABCVRRESA-N 336.218 4.221 0 50 EIAA CCCN1CCC(NC(=S)Nc2cccc3ccccc23)CC1 5041486 MEERTACSIUUTDT-UHFFFAOYSA-N 327.497 4.001 0 50 EIAA Cc1sc2nc(-c3ccc(Br)cc3)[nH]c(=O)c2c1C 5061345 NIVRTSGEUZQZLD-UHFFFAOYSA-N 335.226 4.031 0 50 EIAA CC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 12138229 ZDLYSAQRSPYZEK-LBPRGKRZSA-N 330.815 4.121 0 50 EIAA CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 12138416 ZERFGWSNCFYTLQ-UHFFFAOYSA-N 330.815 4.074 0 50 EIAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(C)C)C3)C2=O)cc1 12473371 BMKYSFLJHPPTHH-OAQYLSRUSA-N 328.500 4.033 0 50 EIAA CCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 16014429 SWPOZBMHSPSHAA-UHFFFAOYSA-N 336.435 4.127 0 50 EIAA Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccc(F)cc2)n1 16577682 MOJTUILSQZZEET-UHFFFAOYSA-N 345.761 4.019 0 50 EIAA Cc1cc(C(=O)N[C@H](C)Cc2cccs2)c2ccc(F)cc2n1 33206501 RAJWDNKFMLIXRT-LLVKDONJSA-N 328.412 4.105 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1OC 36620612 WQUBBHWXUXEOFC-INIZCTEOSA-N 344.386 4.212 0 50 EIAA Cc1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)s1 71755000 WDQIFMWLXHGEIG-OAHLLOKOSA-N 332.444 4.076 0 50 EIAA Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@@H]2c2ccccn2)s1 77387529 ULADMYFPTUCAIN-QGZVFWFLSA-N 349.459 4.491 0 50 EIAA Cc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3ccco3)[nH]n2)o1 97087951 SRDNTXYMDQSSSL-MRXNPFEDSA-N 339.395 4.329 0 50 EIAA C[C@@H](c1cccnc1)N(C)Cc1csc(COc2ccccc2)n1 180798835 VTQHMGYOLAWBSF-HNNXBMFYSA-N 339.464 4.310 0 50 EIAA CC[C@@H](O)c1cc2n(n1)CCN(CCC1=C(C)CCCC1(C)C)C2 220518229 ZNEDTYRSHDWUAE-LJQANCHMSA-N 331.504 4.059 0 50 EIAA COc1cc(C)c(NC(=O)N2CCC(c3nccs3)CC2)cc1F 240244205 DKWSHRPLAOSHFP-UHFFFAOYSA-N 349.431 4.011 0 50 EIAA COCc1ccc([C@@H]2CCCN2c2cnc(-c3ccccc3)cn2)o1 291762026 BCLVSKVSMFQMAM-SFHVURJKSA-N 335.407 4.225 0 50 EIAA CCCO[C@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 299762550 XDASEXCWFKSZNO-ZDUSSCGKSA-N 347.846 4.311 0 50 EIAA O=C(NCC[C@@H]1CCOC1)c1cccc(-c2ccc3ccccc3n2)c1 299774216 CECPEUPWBQOVSR-MRXNPFEDSA-N 346.430 4.058 0 50 EIAA O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccncc1Br 342142874 UXNIXFLIKZYWMQ-UHFFFAOYSA-N 342.196 4.092 0 50 EIAA C[C@H](c1cccc(F)c1)N1CCC(c2ccccc2C(=O)O)CC1 375365467 GNCGFVNCOJIVFG-CQSZACIVSA-N 327.399 4.465 0 50 EIAA CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cccc(Cl)c1Cl 584904301 UKSJJGUEFDJHHY-IAOVAPTHSA-N 342.266 4.208 0 50 EIAA Cc1ccc(S[C@@H](C)C(=O)NCCc2csc(C(C)C)n2)cc1 588133696 PWLAAVCWFMBAQV-AWEZNQCLSA-N 348.537 4.414 0 50 EIAA Clc1cc(N2CCO[C@H](c3cccs3)C2)nc(C2CCC2)n1 892921635 XWGXIOJMFDKQPU-LBPRGKRZSA-N 335.860 4.037 0 50 EIAA COc1cc(-c2ccc(OC)c3nc(C)ccc23)cc(OC)c1OC 1239642825 DOWSVLWLWDEONR-UHFFFAOYSA-N 339.391 4.245 0 50 EIAA CC(C)NC(=O)c1ccccc1-c1ccc(O)c(OC(F)(F)F)c1 1772705576 JYEBKCIUKHBWIY-UHFFFAOYSA-N 339.313 4.096 0 50 EIAA Cc1cccc([C@H](CN)C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 1875316616 CKKPYIYUUYXTIA-PKOBYXMFSA-N 342.870 4.054 0 50 EIAA C[C@H]1CCc2nc(C(=O)N[C@H](CC(F)(F)F)C(C)(C)C)ccc2C1 1875355801 ADCKAAMKZCTBEZ-XHDPSFHLSA-N 342.405 4.303 0 50 EIAA Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C 74696 SLVHCDMUZNIWFS-UHFFFAOYSA-N 329.343 4.123 0 50 EIAA O=C(Nc1ccccc1C(=O)NC1CCCCC1)NC1CCCCC1 257975 XWLNZEASXFDTSJ-UHFFFAOYSA-N 343.471 4.203 0 50 EIAA COc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 316322 LOTBRWNVONFMBG-UHFFFAOYSA-N 330.815 4.201 0 50 EIAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc(C)ccn2)c1 364519 ZBJGFXALYJNDIF-UHFFFAOYSA-N 325.412 4.017 0 50 EIAA O=C(O)c1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 582616 PWXMWCUQMSFADW-UHFFFAOYSA-N 346.795 4.381 0 50 EIAA COc1cccc([C@H](C)NC(=O)Nc2cc(Cl)ccc2OC)c1 610108 FTPFNNWXSZJBMS-NSHDSACASA-N 334.803 4.240 0 50 EIAA CC(C)(C)CC(C)(C)NC(=O)Cc1ccc(Br)cc1 1049222 HWDGIJFJDFDDGV-UHFFFAOYSA-N 326.278 4.323 0 50 EIAA O=C(Cc1ccc(F)cc1)Nc1ccccc1C(=O)Nc1ccccc1 1424361 VDAYSPQIXAKDAQ-UHFFFAOYSA-N 348.377 4.259 0 50 EIAA CC(C)c1ccc(OCn2ccc(C(=O)Nc3ccccc3)n2)cc1 2799183 JQAJGCSNLHJCJC-UHFFFAOYSA-N 335.407 4.295 0 50 EIAA CCc1c(C)sc2ncn3nc([C@H]4C[C@H]4c4ccccc4)nc3c12 2805479 WPZNERJASZDRAG-GJZGRUSLSA-N 334.448 4.481 0 50 EIAA Cc1nn(C[C@@H](O)COc2ccc3ccccc3c2Cl)c(C)c1C 4487279 RUQWPSFGTOSERO-MRXNPFEDSA-N 344.842 4.055 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)N[C@H](C)Cc3cccnc3)c(C)c2c1 11817682 NEJWRRSWYRPQPR-GFCCVEGCSA-N 342.826 4.459 0 50 EIAA CCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12283688 GVKMDXMZINVNCF-CYBMUJFWSA-N 349.352 4.202 0 50 EIAA Cc1c([C@@H](C)NC(=O)NC(C)C)cnn1-c1cccc2ccccc12 12457671 OYDVYLKABFPNIK-CQSZACIVSA-N 336.439 4.103 0 50 EIAA COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 13124765 BAIZGCLOUWAISR-HZPDHXFCSA-N 340.814 4.086 0 50 EIAA CC(=O)Nc1cccc(NC(=S)Nc2cccc(Cl)c2C)c1 13519787 GEEMOHKKRDWXNU-UHFFFAOYSA-N 333.844 4.416 0 50 EIAA Clc1cc(Nc2nc3ccccc3o2)ccc1N1CCOCC1 13549433 FJMITHVPRZZVKJ-UHFFFAOYSA-N 329.787 4.061 0 50 EIAA Cc1ccccc1[C@H](CC(=O)N1CCSCC1)c1ccccc1 14951499 YIKDEZAKVZJEAI-LJQANCHMSA-N 325.477 4.092 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)NCc1ccon1 15063835 KPWFISKQHPBXON-KRWDZBQOSA-N 340.810 4.166 0 50 EIAA CCCc1sc(C(=O)Nc2cccnc2)cc1Br 16602647 HMYIUANGAOUDHO-UHFFFAOYSA-N 325.231 4.110 0 50 EIAA COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)NCC2 22018367 VWRZKNBJHMIEMQ-KRWDZBQOSA-N 338.234 4.246 0 50 EIAA Clc1cccc2ccc(CN3CCc4[nH]cnc4[C@@H]3C3CC3)nc12 71639741 HRMROKIBQQHMDR-IBGZPJMESA-N 338.842 4.121 0 50 EIAA COc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)c(C)n1 182100680 UFTAVRFRVGFUMF-UHFFFAOYSA-N 330.350 4.096 0 50 EIAA Cc1cc([C@H](C)NC(=O)N(C)C[C@H](C)c2nccs2)c(C)s1 182169394 FLQDGWXUZZOPKL-JQWIXIFHSA-N 337.514 4.328 0 50 EIAA CCCN(CC)c1ccc(C(=O)N2CCCCC[C@@H]2C[C@H](C)O)cc1 253418001 FOSSMBINKPXWEE-FXAWDEMLSA-N 346.515 4.079 0 50 EIAA CSc1cccc([C@@H](NCc2ncc[nH]2)c2ccc(F)c(F)c2)c1 344756368 IBVUKOOYSSHPHX-GOSISDBHSA-N 345.418 4.289 0 50 EIAA COc1ccc(CN[C@H](C)c2csc(-c3ccccc3F)n2)cn1 462881721 QKQVAFVQCIHKNO-GFCCVEGCSA-N 343.427 4.204 0 50 EIAA O=C(NCCCCN1CCCCCC1)c1ccc(-c2ccco2)cc1 670440535 OXTONZVVMIXLKS-UHFFFAOYSA-N 340.467 4.333 0 50 EIAA O=C(Nc1ncn(C2CCCCC2)n1)c1ccc(C(F)F)c(F)c1 935353970 ZKBBUODPIKUDAR-UHFFFAOYSA-N 338.333 4.112 0 50 EIAA CCc1[nH]nc(C(=O)N(Cc2cccc(SC)c2)C(C)C)c1C 1506406901 HICSYCNZAHQKLD-UHFFFAOYSA-N 331.485 4.053 0 50 EIAA c1ccc2c(c1)nnn2Cc1ccc(-c2nnc(C3CCCC3)o2)cc1 2325723209 NZQCKELQHUFKQA-UHFFFAOYSA-N 345.406 4.187 0 50 EIAA CO[C@]1(C(=O)N2CCC(c3cc(C)no3)CC2)CCCC(C)(C)CC1 2325817939 HBDGEENSGRGJJK-HXUWFJFHSA-N 348.487 4.065 0 50 EIAA O=C(NC(=S)Nc1c(Cl)cccc1Cl)c1ccccc1 84406 VNMIXZLSPNJOGL-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 303104 FTYJSFNHSZULMN-INIZCTEOSA-N 336.435 4.110 0 50 EIAA CCOc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1 451253 LUIZIFLCPBYQFB-LBPRGKRZSA-N 348.240 4.339 0 50 EIAA COc1ccc(C(=O)CCNc2ccc(C)c(Br)c2)cc1 471418 LSGKVIOKLKNIBO-UHFFFAOYSA-N 348.240 4.451 0 50 EIAA CCc1ccc(NS(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 529351 GBIIQBKRPLJQKS-UHFFFAOYSA-N 339.844 4.020 0 50 EIAA CC[C@@H](C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1ccccc1 795409 HYWFERYYCICFOV-CYBMUJFWSA-N 342.464 4.431 0 50 EIAA CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1Cl 1015719 CWEMXVIAVUNPHN-ITTMYVLYSA-N 325.817 4.183 0 50 EIAA Cc1sc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C(N)=O)c1C 2734186 YFTMKHASVRAHIW-JXMROGBWSA-N 342.464 4.239 0 50 EIAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1Cl 2882166 DXQVFVZWJZGMDT-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA CCc1ccc(NC(=O)CSc2ncnc3sc(C)cc23)cc1 4488368 JGCLXVNJPNBTHQ-UHFFFAOYSA-N 343.477 4.293 0 50 EIAA COc1ccc(OC)c([C@@H](C)NC(=S)Nc2cc(C)cc(C)c2)c1 6572413 DMZHORHDVCZPKT-CQSZACIVSA-N 344.480 4.368 0 50 EIAA C[C@@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 6700480 YGCOQMNWZSFBPX-SNVBAGLBSA-N 334.769 4.029 0 50 EIAA Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Br)cc1 9240450 OSMQSYGTMQDQRQ-UHFFFAOYSA-N 345.196 4.226 0 50 EIAA O=C(c1cccc2ccccc12)N1CC[C@]2(CCCN(CC3CC3)C2)C1 12386256 PHMVNGYXFHPMRA-QHCPKHFHSA-N 348.490 4.178 0 50 EIAA Cc1ccccc1Oc1ncccc1CNC[C@H]1CCOC(C)(C)C1 12438725 JIMAOTAHEYSCLX-KRWDZBQOSA-N 340.467 4.477 0 50 EIAA O=C1C=C(NCc2ccc(Cl)c(Cl)c2)C2(CCCCC2)O1 17364089 HWTNHKCXYMDSPI-UHFFFAOYSA-N 326.223 4.227 0 50 EIAA Oc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1Cl 71614141 QXDJSUYQHRJWDW-KRWDZBQOSA-N 338.234 4.273 0 50 EIAA CCOC(=O)Cc1csc(-c2c(-c3ccccc3)ccnc2C)n1 72447052 JOZLTMIMTNMORY-UHFFFAOYSA-N 338.432 4.286 0 50 EIAA COc1cc(F)c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(F)c1 77423338 PAKMLEDIHVYZHB-QGZVFWFLSA-N 349.352 4.480 0 50 EIAA Cc1ccccc1[C@@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 77452620 WEHXPWSPNWQOCZ-LJQANCHMSA-N 332.451 4.019 0 50 EIAA Cc1cc([C@@H]2CCCCN2C(=O)c2cc3c(s2)CCCC3)no1 91713239 LAGXOMQIHMJPHU-HNNXBMFYSA-N 330.453 4.291 0 50 EIAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCC[C@@H]3c3cc(C)on3)c2c1 95517638 RQDLLGIJNBZDNN-LJQANCHMSA-N 349.434 4.434 0 50 EIAA O=C(Nc1cc(Cl)ccn1)c1ccnc(SCC(F)(F)F)c1 114326766 QECCISYHYCPCHL-UHFFFAOYSA-N 347.749 4.037 0 50 EIAA O=C(C[C@H]1CCc2ccccc21)NC[C@H](O)c1ccc2ccccc2c1 115712835 YZCPHMAEIFYTLF-KNQAVFIVSA-N 345.442 4.110 0 50 EIAA FC(F)(F)c1ccc2oc(CN(Cc3ccccn3)C3CC3)nc2c1 180863275 NVXNRQCYNISCIQ-UHFFFAOYSA-N 347.340 4.406 0 50 EIAA Cc1cc(C)c(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)c(Cl)c1 247891284 FXTVLAQUPJRXSW-HOTGVXAUSA-N 334.891 4.407 0 50 EIAA O=C(NCCCc1ccc(Cl)s1)c1ccncc1C(F)(F)F 252489999 KHAPJFYQCOCXOJ-UHFFFAOYSA-N 348.777 4.178 0 50 EIAA Cc1noc(C)c1NC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 272711955 KSRHGBWWYQHYRN-UHFFFAOYSA-N 327.428 4.179 0 50 EIAA O=C(Nc1cccc(Cl)c1Br)N1CCCSCC1 276745104 LKKSNURMCKQFGJ-UHFFFAOYSA-N 349.681 4.073 0 50 EIAA O=C([C@H]1CCCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 299785130 JCTASYFEANJUSK-OAQYLSRUSA-N 349.474 4.164 0 50 EIAA N=C(O)c1csc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1 328587946 KEOCIVUJQLMEEY-MRXNPFEDSA-N 348.427 4.424 0 50 EIAA C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cncc(F)c1 390833290 FSKSCHUGHUYWKL-QMMMGPOBSA-N 346.711 4.384 0 50 EIAA O=C(c1cccc(-c2cc(F)ccc2O)c1)N1C[C@H]2CCC[C@H](C2)C1 426535752 XQHXOBBGONKPOG-GASCZTMLSA-N 339.410 4.461 0 50 EIAA C[C@H](NCc1ccc(OCC(F)F)cc1)c1nc2c(s1)CCC2 459652859 QYAYVVZVHITKPC-NSHDSACASA-N 338.423 4.127 0 50 EIAA c1ccc(-c2ncc3c(n2)[C@]2(CCCN(Cc4ccoc4)C2)CC3)cc1 1704325778 QWPOUBJFLJFCBW-JOCHJYFZSA-N 345.446 4.217 0 50 EIAA CCCCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCC3(C2)N=N3)cc1OC 1776006480 QISHTOZWFWBRFE-UKRRQHHQSA-N 345.443 4.014 0 50 EIAA Fc1cccc(Cl)c1[C@H]1CN(c2ccnc3cnccc23)CCO1 2325855097 HPULGPMLGYECLC-QGZVFWFLSA-N 343.789 4.000 0 50 EIAA CC(C)c1ccc(NC(=O)NCC2=NO[C@@H](C)C2)cc1C(F)(F)F 2325864980 IAINJPCZHVWQRF-JTQLQIEISA-N 343.349 4.115 0 50 EIAA Cc1cc2ncn(C[C@H](O)COc3ccc(C(C)C)cc3)c2cc1C 242938 QYWWOYGUBPJKTG-SFHVURJKSA-N 338.451 4.216 0 50 EIAA Cc1ccc(-c2nc(N(C)C3CCN(C)CC3)c3ccccc3n2)cc1 339585 ZOXGTPAJSZQQQL-UHFFFAOYSA-N 346.478 4.136 0 50 EIAA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1 359503 CYCHTDHNDOYAEE-UHFFFAOYSA-N 347.871 4.159 0 50 EIAA COc1ccc(/C=C/C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 461407 SGRYSFNEMOAWHM-WEVVVXLNSA-N 336.218 4.332 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccco3)c2)cc1 461513 JGTJAZUROGOTSZ-VAWYXSNFSA-N 346.386 4.492 0 50 EIAA Cc1cnn(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)c1 477193 FNCOAXDIWOTYAJ-UHFFFAOYSA-N 348.793 4.144 0 50 EIAA C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2F)S1 528781 MXJUYMKBSINKRI-NSHDSACASA-N 347.390 4.495 0 50 EIAA CCCOc1cccc(C(=O)NC(=S)Nc2c(C)cccc2C)c1 2053723 JFFCTMJQEZSBBG-UHFFFAOYSA-N 342.464 4.219 0 50 EIAA COc1ccc(NC(=O)[C@]2(c3ccccc3)CC2(Cl)Cl)cc1 2900776 BPYGXSWYYYXKCG-MRXNPFEDSA-N 336.218 4.149 0 50 EIAA O=C(c1ccccc1)c1ccc2[nH]c(SCc3cccnc3)nc2c1 4171667 IDVXPZZNAAPEAD-UHFFFAOYSA-N 345.427 4.481 0 50 EIAA Cc1cc(C)c(OCCN2CCC[C@@H](C)C2)c(Br)c1 4906901 ZFQKZRDILMMXGJ-GFCCVEGCSA-N 326.278 4.177 0 50 EIAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccco2)C1 6396208 WFGHWOHVQMGWHC-LBPRGKRZSA-N 346.496 4.394 0 50 EIAA CC(C)c1cc(NC[C@@H]2CCCO2)n2ncc(-c3ccccc3)c2n1 7636178 ODBBNDYAPCLGKT-INIZCTEOSA-N 336.439 4.111 0 50 EIAA Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 10156621 YOAXFTQCBYEIJJ-CQSZACIVSA-N 333.391 4.343 0 50 EIAA CC(=O)c1ccc(C(=O)N2CCC[C@H](CCc3ccccc3)C2)s1 12465963 GKDZPIIXQCOSBN-QGZVFWFLSA-N 341.476 4.436 0 50 EIAA Cc1cc(F)ccc1NC(=O)c1ccc(Cc2c(C)noc2C)o1 13640995 BVZMILZKZHZUGV-UHFFFAOYSA-N 328.343 4.175 0 50 EIAA CCCC[C@@H]1CN(Cc2ccc(COC)o2)Cc2ccccc2O1 14978249 HNKGOEUQEUFEHD-QGZVFWFLSA-N 329.440 4.379 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)Cc1noc(-c2cccc(F)c2)n1 16578895 IEARUMOMVYQULM-UHFFFAOYSA-N 345.761 4.019 0 50 EIAA C[C@@H]1CCc2nc(NC(=O)Nc3ccc4c(c3)CCC4)sc2C1 20572240 DIZPWJWVIJLAGB-LLVKDONJSA-N 327.453 4.401 0 50 EIAA CCc1cccc(C)c1N(C(=O)CC1CCCCC1)[C@H](C)C(=O)OC 23114888 UEHMYEASQRJVSU-MRXNPFEDSA-N 345.483 4.422 0 50 EIAA CCCCC[C@@H](O)/C=C/C=C\C=C\[C@H](O)C/C=C\CCCC(=O)O 40165198 NNPWRKSGORGTIM-AYXVTFGYSA-N 336.472 4.158 0 50 EIAA endogenous,in-man COc1ccc(CN2CCCC2)cc1Oc1ccc(-n2cccn2)cc1 67769831 DPBVTAYPAIOQRG-UHFFFAOYSA-N 349.434 4.269 0 50 EIAA CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCCC2)cc1 101894114 MYEVXXUPFCMRBN-QIJZPMMNSA-N 347.458 4.431 0 50 EIAA O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC[C@H]1C1CCCC1 124509647 BPLFMDLKNMKEAN-AWEZNQCLSA-N 336.819 4.255 0 50 EIAA Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1COc2ccccc21 182132629 DPCWLJVWXJBGTI-HNNXBMFYSA-N 336.416 4.233 0 50 EIAA O=C(NCc1cccc(O)c1)N1CCC(c2ccc(Cl)cc2)CC1 184613491 WEKNGEQVCHAQHC-UHFFFAOYSA-N 344.842 4.135 0 50 EIAA CCOc1ccc2ccccc2c1OCc1nnc(C2CCC2)n1C 185175799 DOVFMUGCHBRCOA-UHFFFAOYSA-N 337.423 4.214 0 50 EIAA CC(=O)Nc1cc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1F 222004222 DDCCHXWVFAHEHD-KBXCAEBGSA-N 341.430 4.032 0 50 EIAA Fc1ccccc1-c1n[nH]cc1CNc1ccc(-c2ccccc2)nn1 225641410 OOYZYEKTDYFJAM-UHFFFAOYSA-N 345.381 4.285 0 50 EIAA CC[C@@H]1CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CC[C@H]1c1ccccc1 248445920 FJNHFCITVZZESI-LSBZLQRGSA-N 339.483 4.172 0 50 EIAA CC(C)Cn1ccc2c(OCC(=O)Nc3ccc(O)cc3)cccc21 252498941 RRLGEAPTAKEKBH-UHFFFAOYSA-N 338.407 4.020 0 50 EIAA Cc1nc2cc(NCc3ccncc3)ccc2n1Cc1ccccc1 252510349 ZHXZYUAOHOSPHF-UHFFFAOYSA-N 328.419 4.400 0 50 EIAA Cc1ccc(Cl)c(C)c1NC(=O)N1CCC[C@H](c2ccncn2)C1 299772826 AXTZYGGFYJTBJV-AWEZNQCLSA-N 344.846 4.158 0 50 EIAA O=C(O)c1ccccc1C1CCN(Cc2ccc3ccccc3n2)CC1 328587811 IJUOHYSBKOHCEP-UHFFFAOYSA-N 346.430 4.313 0 50 EIAA CCS(=O)(=O)c1ccc(CN[C@@H]2CCCC23CCCCC3)cc1 449253951 VFJYRECUCCOVLC-GOSISDBHSA-N 335.513 4.073 0 50 EIAA Oc1ncc(-c2nc(C3CCCCCC3)no2)cc1C(F)(F)F 901951828 AZWZJBYHJQRLGP-UHFFFAOYSA-N 327.306 4.294 0 50 EIAA C[C@]1(O)CCN(c2nc3ccccc3s2)C[C@H]1Cc1ccccc1 1565507109 WVWDADGROHIBSD-UZLBHIALSA-N 338.476 4.116 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(c3cc(C)nc4c(F)cc(F)cc34)C[C@@H]21 1704324987 ITSCHYZVWDPXNB-JOTOCRJQSA-N 346.421 4.199 0 50 EIAA CC(C)(CNC(=O)N[C@@H]1C[C@@H]1C(F)F)c1ccc2ccccc2c1 1775984765 FAVWQDLJYBLMKM-JKSUJKDBSA-N 332.394 4.070 0 50 EIAA CCOc1ccccc1NC(=O)/C=C/c1ccc(Br)cc1 376238 OQJCKPVCJZRBSN-FMIVXFBMSA-N 346.224 4.500 0 50 EIAA Cc1ccc2c(c1)nc(-c1ccc(O)cc1)n2Cc1ccc(O)cc1 446400 IATLFJCPPUEUNI-UHFFFAOYSA-N 330.387 4.471 0 50 EIAA CO[C@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 454215 BUWMWJYAAHQHOX-HNNXBMFYSA-N 334.213 4.084 0 50 EIAA O=C(COc1ccccc1F)Nc1ccc(OC(F)(F)Cl)cc1 1425464 PAMBPZFPVWJTNL-UHFFFAOYSA-N 345.704 4.011 0 50 EIAA CN(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccco1 3410847 ZBEHYVVZNMJJGV-GFCCVEGCSA-N 348.855 4.180 0 50 EIAA Cc1c([C@@H](C)NC2CCSCC2)cnn1-c1ccc(F)cc1F 12026743 YPXMQRXZKRNLBC-LLVKDONJSA-N 337.439 4.005 0 50 EIAA COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 13124763 BAIZGCLOUWAISR-JKSUJKDBSA-N 340.814 4.086 0 50 EIAA CCn1c(SCc2ccccc2F)nnc1-c1cccc(OC)c1 13325555 RLVQQDBFGJGQAY-UHFFFAOYSA-N 343.427 4.405 0 50 EIAA CSc1ccccc1C(=O)[C@@H]1CCCN(C2CCSCC2)C1 14973596 MMKLUGAVGZCCCZ-CQSZACIVSA-N 335.538 4.199 0 50 EIAA Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)C1CCOCC1 15062776 YXWWKZSFBKEFFX-UHFFFAOYSA-N 336.435 4.414 0 50 EIAA c1ccc2c(c1)Cc1cc(CN3CCC[C@@H](c4cc[nH]n4)C3)ccc1-2 19837988 DJWNGTONWZHJIU-GOSISDBHSA-N 329.447 4.361 0 50 EIAA CC(=O)c1cc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cs1 72146456 FZWZMYUBOZDXEZ-QGZVFWFLSA-N 339.464 4.473 0 50 EIAA O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(OC(F)F)cc1 73740271 MFDDSOLNDTYQHS-UHFFFAOYSA-N 346.377 4.136 0 50 EIAA CC[C@H](NC(=O)Cc1c(C)[nH]c2c(F)cccc12)c1cc(C)ccn1 91915511 SXUCTMGPUWOOJW-KRWDZBQOSA-N 339.414 4.129 0 50 EIAA CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 145061173 BSHQFYQSIAHNPQ-QGZVFWFLSA-N 328.799 4.211 0 50 EIAA BrC1(Br)[C@H]2C[C@]34C=C[C@@]3(CC=CC4)C[C@H]21 216450528 RQEXXEWMZPALII-USZNOCQGSA-N 330.063 4.405 0 50 EIAA O=C(N1CCC[C@H](c2nccs2)C1)C1(c2cccc(F)c2)CCC1 225543378 LGQDAQVMOYIBQI-AWEZNQCLSA-N 344.455 4.110 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@H]2c2ccccc2)c2c(C)noc2n1 225602094 ZBMMXQULIWPAGD-KRWDZBQOSA-N 335.407 4.207 0 50 EIAA CCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 231431262 DPQFQICMXRPINB-UHFFFAOYSA-N 347.908 4.232 0 50 EIAA COCc1ccc(NC(=O)Nc2cnn(C3CCCC3)c2C)cc1 252478411 ALVWZPOIQOFODO-UHFFFAOYSA-N 328.416 4.097 0 50 EIAA Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccccc3F)C2)n1 257365590 VUTUWMYMQLCZQA-KBMXLJTQSA-N 344.455 4.100 0 50 EIAA O=C(NCC[C@H]1CCOC1)c1cccc(-c2ccc3ccccc3n2)c1 299774213 CECPEUPWBQOVSR-INIZCTEOSA-N 346.430 4.058 0 50 EIAA O=C(Nc1nc(-c2ccccc2F)co1)c1cc(F)c(F)c(F)c1 362041105 XGULEMOROJUTQQ-UHFFFAOYSA-N 336.244 4.150 0 50 EIAA Oc1nc(-c2cncs2)nc2scc(-c3ccc(F)cc3)c12 426091861 YPQWGJZTJLODMB-UHFFFAOYSA-N 329.381 4.327 0 50 EIAA CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(O)c1F)CCO2 872062894 LNTGNQMQZCIEEA-BLLLJJGKSA-N 331.387 4.104 0 50 EIAA CC(C)c1cccc(N(CCO)Cc2cc3ccc(F)cc3[nH]2)c1 1875359197 XSSXUSPYSFFXGW-UHFFFAOYSA-N 326.415 4.429 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccccc2)cc1Br 117997 PPPHNKOGWTUHHO-CSKARUKUSA-N 332.197 4.110 0 50 EIAA O=C(Nc1ccccc1)c1c(NC(=O)C2CC2)sc2c1CCCC2 312372 AXMHFVLPMYVLSU-UHFFFAOYSA-N 340.448 4.228 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@@H](C)C2 442386 FSXWSIRVIWAXFP-SNVBAGLBSA-N 347.436 4.203 0 50 EIAA CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(C)cc1 1386425 UFTRQACCJZGXHI-UHFFFAOYSA-N 334.375 4.421 0 50 EIAA Cc1cc2n(n1)[C@H](C(F)F)C[C@H](c1ccc(Br)cc1)N2 2785987 NMPNSWXPMITRFR-NEPJUHHUSA-N 342.187 4.317 0 50 EIAA Fc1ccc(-n2c(S)nnc2Cc2cccs2)cc1Cl 5555849 BVHTUFKEXKLBFF-UHFFFAOYSA-N 325.821 4.001 0 50 EIAA C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 13320546 RFTZTFATXLMKOF-QPUJVOFHSA-N 336.741 4.048 0 50 EIAA CC(=O)N(C)c1ccc(NC(=S)Nc2ccc(C)cc2C)cc1 13813676 VOUFUMJCHXAXDH-UHFFFAOYSA-N 327.453 4.095 0 50 EIAA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)NCC2 22018356 WDYIKIZWXGOOHA-KRWDZBQOSA-N 338.234 4.246 0 50 EIAA CC[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1Br 23280541 QGCBFFQJWJNOSG-CYBMUJFWSA-N 342.277 4.231 0 50 EIAA O=C1OC[C@H](CNC2CCCCC2)C1(c1ccccc1)c1ccccc1 39304783 YFCLRZJYPZKELV-FQEVSTJZSA-N 349.474 4.068 0 50 EIAA CCN1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 91831113 RCXOWMCGOXKXPG-NRFANRHFSA-N 349.522 4.173 0 50 EIAA CC[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nc(C)no1 92037177 NPAHONVGQVWPBP-CYBMUJFWSA-N 345.786 4.173 0 50 EIAA O=C(N[C@]12CCC[C@@H]1[C@H]1CC[C@H]2C1)N[C@@]12CCC[C@@H]1[C@H]1CC[C@H]2C1 102970379 OCLJVESFZXJORW-RPZRUNIESA-N 328.500 4.223 0 50 EIAA Cc1ccc(-c2nc([C@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1C 169762209 VQECUHOVCOGSCK-INIZCTEOSA-N 339.439 4.002 0 50 EIAA C[C@@H](NC(=O)NCc1cccc(O)c1)c1ccc(-c2cccnc2)cc1 176252142 MKFHMTGTFJRHHI-OAHLLOKOSA-N 347.418 4.015 0 50 EIAA Cc1nc([C@@H](C)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 252484030 FMMFXSOZIOFIBL-OTYXRUKQSA-N 325.334 4.199 0 50 EIAA CCOC(=O)c1cc(C(F)(F)F)cn2c(-c3ccccc3)ncc12 263639649 BXPOYHRNZFRHQE-UHFFFAOYSA-N 334.297 4.197 0 50 EIAA Cc1nn(C)c(C)c1NC(=O)N1CCC[C@H]1c1ccccc1Cl 271372767 HAEQMJRWGWPAAY-HNNXBMFYSA-N 332.835 4.059 0 50 EIAA O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 333955374 GBRNSSLBHVHINE-BFMVXSJESA-N 342.483 4.024 0 50 EIAA CC1(C)CCc2onc(C(=O)N3CCCC[C@H]3CC3CCC3)c2C1 1148513136 NLIXMRONEPYNOT-HNNXBMFYSA-N 330.472 4.374 0 50 EIAA CCOc1ccc(CN(CC)C(=O)C(C)(C)Nc2ccccc2)cc1 1506417104 KZSSTAGXGZMZPE-UHFFFAOYSA-N 340.467 4.325 0 50 EIAA CCCSCc1nnc2sc(-c3ccc4ccccc4n3)nn12 1776111068 SXYCNFXWAAEBOR-UHFFFAOYSA-N 341.465 4.044 0 50 EIAA Cc1cccc(C[C@H](C)NC(=O)c2c[nH]cc2-c2ccccc2F)c1 1875349379 VHWAUHQRPNKPCT-HNNXBMFYSA-N 336.410 4.490 0 50 EIAA O=C(OCc1c(Cl)cncc1Cl)[C@@]12CCCCC[C@H]1OCC2 2325854838 XIXRCYGYMSHFCX-GDBMZVCRSA-N 344.238 4.171 0 50 EIAA COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 149946 UYNZVKFEUXVBBP-UHFFFAOYSA-N 339.178 4.424 0 50 EIAA O=C(Nc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 275358 MFJDAIPRGRZEBQ-UHFFFAOYSA-N 349.356 4.060 0 50 EIAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1 437172 KCWMMCLQYIJURW-UHFFFAOYSA-N 331.586 4.059 0 50 EIAA O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCCC1 465522 SOXJBLXQWWCTNT-UHFFFAOYSA-N 335.856 4.182 0 50 EIAA Oc1ccccc1-c1nc(-c2ccccc2O)n(-c2ccccc2)n1 967863 ZSVXKCSZMLMPBW-UHFFFAOYSA-N 329.359 4.013 0 50 EIAA biogenic,in-vitro CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1Br 1060800 MMISKBSTOVACSM-CQSZACIVSA-N 332.241 4.200 0 50 EIAA O=C(NCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1 1791528 RFBFAGGTIVNCEH-UHFFFAOYSA-N 347.414 4.074 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)c1 2817700 KVKNEPHNDRRFMN-CVEARBPZSA-N 348.229 4.415 0 50 EIAA O=C(Nc1nc(-c2ccccc2)ns1)c1ccc2ncsc2c1 2860424 SYSSVZSEOAAPCU-UHFFFAOYSA-N 338.417 4.067 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 4113801 NCMZQTLCXHGLOK-MROOBOTFSA-N 330.468 4.450 0 50 EIAA biogenic CC(C)(C)c1cc(C(=O)O)c(CSc2ccccc2C(=O)O)o1 4418459 JVAMTIBJUBEHSA-UHFFFAOYSA-N 334.393 4.266 0 50 EIAA Cc1ccc(C)c(OCCCn2cnc3ccccc3c2=O)c1Cl 6701013 JLMFLKRXUBTHIV-UHFFFAOYSA-N 342.826 4.136 0 50 EIAA CC(C)c1ccc(Cc2cc(C(=O)NC(C3CC3)C3CC3)on2)cc1 12213452 HAQKGIPGDKQGHL-UHFFFAOYSA-N 338.451 4.307 0 50 EIAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NCc1ccccc1 12298784 LBCGMDFJCDWYMR-KRWDZBQOSA-N 338.499 4.406 0 50 EIAA CC(C)n1c(SCCOc2ccccc2)nnc1-c1ccco1 12383152 XPFKXOLMUGUOED-UHFFFAOYSA-N 329.425 4.290 0 50 EIAA CCOc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 19788161 UKTUJPFUEKRZNU-UHFFFAOYSA-N 344.886 4.057 0 50 EIAA CC(C)CN(Cc1ccccn1)C(=O)c1ccc(-n2cccc2)cc1 55037164 YEGYMLFNZJMENA-UHFFFAOYSA-N 333.435 4.171 0 50 EIAA CCCN(Cc1cccc(Cl)c1)C(=O)c1cc(C(C)C)nn1C 82126633 GJVGCFLXLZWLFU-UHFFFAOYSA-N 333.863 4.249 0 50 EIAA CC(C)(CNC(=O)NCc1cccc2cccnc12)c1cccs1 114523889 UQTWMHFOOKADRN-UHFFFAOYSA-N 339.464 4.073 0 50 EIAA COc1nc(C(=O)Nc2ccc(F)cc2Cl)cc2ccccc12 129078579 BPWQTEBWMYIPKN-UHFFFAOYSA-N 330.746 4.288 0 50 EIAA CC(C)Oc1ccccc1C(=O)Nc1ncc(C2CCOCC2)s1 296172426 RREYUPHBWQNIKJ-UHFFFAOYSA-N 346.452 4.077 0 50 EIAA CCC(CC)n1ncc(C(=O)N(C)c2cccc3cccnc23)c1C 408517382 GJRYFQNKYMPUKP-UHFFFAOYSA-N 336.439 4.377 0 50 EIAA O=C(Nc1n[nH]c(C2CC2)c1-c1ccccc1)c1ccnn1C1CCC1 828300442 XATVTVHSHCAZBX-UHFFFAOYSA-N 347.422 4.128 0 50 EIAA CC1(c2cc(NC(=O)N[C@H](c3ccncc3)C3CC3)no2)CCCC1 931132902 VWIQSJFOILWCIX-KRWDZBQOSA-N 340.427 4.174 0 50 EIAA CC1(C)CN(C(=O)C2=Cc3cc(F)ccc3OC2)c2cc(F)ccc21 1461306233 RCXFUBWJMHYANB-UHFFFAOYSA-N 341.357 4.065 0 50 EIAA CC1(C)CCC([C@@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1 2325841779 FWGDPYGNZIYQEB-QFIPXVFZSA-N 343.511 4.263 0 50 EIAA CC[C@H](C)N=c1[nH]nc(S[C@@H](C)C(=O)c2cc(C)cc(C)c2)s1 2325898938 FQXXYBDNDTZIDQ-STQMWFEESA-N 349.525 4.151 0 50 EIAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1 207900 LFBDRDBSOCWZDH-HZPDHXFCSA-N 338.407 4.260 0 50 EIAA CC(=O)Nc1ccc(NC(=O)CSCc2ccccc2Cl)cc1 470892 YTURUNOXPQYWIH-UHFFFAOYSA-N 348.855 4.170 0 50 EIAA COC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1 1400632 DEQDEIDIVREGPF-UHFFFAOYSA-N 338.310 4.164 0 50 EIAA O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1688918 GVMHORIVFUXONX-UHFFFAOYSA-N 337.611 4.415 0 50 EIAA COc1cc(CNCc2ccncc2)ccc1OCc1ccc(C)cc1 4413621 WMCFRPXUXXZYMI-UHFFFAOYSA-N 348.446 4.267 0 50 EIAA O=C(O)[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cccc2ccccc12 4724374 IGZCDZIYCVPQKN-HUUCEWRRSA-N 329.783 4.012 0 50 EIAA CS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccccc1Cl 4839415 UOZRBZKZILXAQD-UHFFFAOYSA-N 348.226 4.099 0 50 EIAA CC(C)CN(CC(C)C)C(=O)CCC(=O)N(CC(C)C)CC(C)C 4894104 VFFOWNMEDXOXLZ-UHFFFAOYSA-N 340.552 4.048 0 50 EIAA O=C(NC[C@@H]1CCCN(CCCC2CCCC2)C1)c1cccs1 11661811 HBSBGCUPXKMGFX-KRWDZBQOSA-N 334.529 4.160 0 50 EIAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccnc3)cc12 12420674 CIKVPKTZGJLVLZ-UHFFFAOYSA-N 334.404 4.043 0 50 EIAA Cc1cccc(-c2nc(C(C)(C)C)[nH]c2-c2ccc3c(c2)OCO3)n1 16052825 WGZOTBUYUFBEPZ-UHFFFAOYSA-N 335.407 4.473 0 50 EIAA in-vivo Cc1n[nH]c(C)c1CCn1cnc(-c2ccccc2)c1-c1cccnc1 67726672 UVIGKVYPBVITJF-UHFFFAOYSA-N 343.434 4.195 0 50 EIAA O=C(Nc1ncc(Cc2ccccc2)s1)N[C@H]1C[C@H]1c1ccccc1 170593190 ZKGYLYBJHATEHU-ROUUACIJSA-N 349.459 4.412 0 50 EIAA Cc1nnc(CSCc2ccc(Br)c(Cl)c2)o1 190078619 LBLXETJWFLFFBQ-UHFFFAOYSA-N 333.638 4.227 0 50 EIAA Cc1ccc(SCCN(C)C(=O)c2ccc3nc(C)oc3c2)cc1 215285412 SFKUJQHYYJVRIB-UHFFFAOYSA-N 340.448 4.309 0 50 EIAA CCc1nnc2sc(C(C)(c3ccccc3)c3ccccc3)nn12 221532040 FZZYOUDCQCUSNG-UHFFFAOYSA-N 334.448 4.103 0 50 EIAA O=C(c1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1C(F)(F)F 225747871 OQXINRPQJIUEHJ-NSHDSACASA-N 325.252 4.262 0 50 EIAA CC(C)c1ccc(NC(=S)NC[C@@H](C)N2CCCC[C@H]2C)cc1 252457203 NBZWKSXFOKSUSU-HZPDHXFCSA-N 333.545 4.359 0 50 EIAA CN(C(=O)C1(C(F)(F)F)CCCC1)c1ccc(-c2ccccc2)nn1 415273740 SLNFKKFVNCWVST-UHFFFAOYSA-N 349.356 4.229 0 50 EIAA COCCCN(Cc1ccc(C)cc1)C(=O)N[C@@H](C)c1cccs1 426401728 HEAASZDAPCACED-INIZCTEOSA-N 346.496 4.366 0 50 EIAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1cc2sccc2[nH]1 828146933 GZUQKBAGYFGQKX-LBPRGKRZSA-N 342.420 4.040 0 50 EIAA CCc1nc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)c(C)o1 1158710081 GCQCSUWCWCBMSB-UHFFFAOYSA-N 349.434 4.113 0 50 EIAA C[C@H](c1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1)N(C)C 1772806878 LPMRAXTYIGRXNF-OAHLLOKOSA-N 333.435 4.192 0 50 EIAA Cc1ccc(-c2noc(-c3ccccc3NC(=O)C3CCC3)n2)cc1 1857798587 PMKJDXPKKRQRMI-UHFFFAOYSA-N 333.391 4.451 0 50 EIAA CC(C)c1cncc(C(=O)O[C@H](C)CCc2ccc3c(c2)OCO3)c1 2325855267 PITDVOBMRYZMCB-CQSZACIVSA-N 341.407 4.112 0 50 EIAA C[C@H]1CC[C@H]2CN=C(N[C@H](C)c3ccc(Cl)c(Cl)c3)N2C1 2325863632 QNECPOOAQWUSNE-LOWVWBTDSA-N 326.271 4.114 0 50 EIAA COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1ccccc1)N2 35134 PTLIOFQMZLWJCC-OALUTQOASA-N 325.408 4.492 0 50 EIAA CC(C)(C1=N[C@@H](c2ccccc2)CO1)C1=N[C@@H](c2ccccc2)CO1 39428 JTNVCJCSECAMLD-QZTJIDSGSA-N 334.419 4.353 0 50 EIAA in-vitro Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(Cl)cc3)C2=O)c1 1228256 RCDCHYMSCOUPRX-CQSZACIVSA-N 332.812 4.286 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 2052388 UDDCZTUCUZWFLA-UHFFFAOYSA-N 331.799 4.468 0 50 EIAA CC(=O)N1N=C(Cc2ccc(-c3ccccc3)cc2)OC12CCCC2 2321412 DWURAYJAWVSSDE-UHFFFAOYSA-N 334.419 4.359 0 50 EIAA CCOc1cccc2cc(C(=O)Nc3cccc(C)c3C)c(=O)oc12 4838931 RSTLHCQGYDMLIZ-UHFFFAOYSA-N 337.375 4.061 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccco2)cc1C 4841857 CPWGPQAJEKTGBM-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA COCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 8723080 IZACQRILSHVPEP-UHFFFAOYSA-N 340.206 4.271 0 50 EIAA CCCCn1nc(C)c2c(C(F)F)cc(-c3cnn(C)c3C)nc21 8782662 LCEDMMFHWOHQHD-UHFFFAOYSA-N 333.386 4.186 0 50 EIAA Cc1cccc(-c2noc(CN(C(=O)C(C)C)C3CCCCC3)n2)c1 13957929 MLCGHRSMWOLEMC-UHFFFAOYSA-N 341.455 4.362 0 50 EIAA CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccc1C 16606128 FASBWTLYPBWEJS-CYBMUJFWSA-N 339.222 4.493 0 50 EIAA Cc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3)c2C2CC2)cc1 16652120 ADGHYGQQMURGDJ-UHFFFAOYSA-N 332.407 4.014 0 50 EIAA OC[C@H]1CCCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 20599445 NIXRKYWDBAUDGD-OAQYLSRUSA-N 347.462 4.091 0 50 EIAA Cc1cccc(-c2cc([C@H]3CCN(Cc4nccn4C)C3)ccn2)c1C 65385141 MVGIJGLYFIYYJE-IBGZPJMESA-N 346.478 4.088 0 50 EIAA Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2cccnc2)n1 65407257 VOAFXLOKZAEFEP-UHFFFAOYSA-N 343.434 4.207 0 50 EIAA CCn1cc(NC(=O)N[C@@H](CC(C)C)c2ccccc2C)ccc1=O 112385470 VBQWGBCAWZGTFZ-SFHVURJKSA-N 341.455 4.086 0 50 EIAA O=C(CC1(O)CCCCC1)N1CCC[C@@H]1c1nc2ccccc2s1 114163634 WWFKFVVBJBLVEG-OAHLLOKOSA-N 344.480 4.045 0 50 EIAA Cc1c(F)ccc2sc(NC(=O)c3cnn(C(C)(C)C)c3C)nc12 164939161 KQLFGYPFDHGPEU-UHFFFAOYSA-N 346.431 4.256 0 50 EIAA C[C@H](c1cccnc1)N(C)CCc1cc(Cl)c2c(c1)OCCCO2 179626143 LFQYHQIMQAJREG-CQSZACIVSA-N 346.858 4.132 0 50 EIAA CC[C@H](NC1C[C@H](C)O[C@@H](C)C1)c1cccc(Br)c1 222115277 QUEQOOMYXCPJLE-MKBNYLNASA-N 326.278 4.446 0 50 EIAA CC(C)[C@@H](NC(=O)c1ccc2c(ccn2C)c1)c1nc2ccccc2[nH]1 223216212 AKNFYZMWEYHPNB-LJQANCHMSA-N 346.434 4.182 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(-c2ccccc2)cs1 263525845 UAKUGYRBEPQKEY-PVAVHDDUSA-N 342.464 4.028 0 50 EIAA CCOC(=O)c1ccc(-c2ccc(Br)cc2)nc1Cl 263623264 GAOAIFTVTDVBIB-UHFFFAOYSA-N 340.604 4.341 0 50 EIAA C[C@@H]1CCN(C(=O)c2coc(Br)c2)[C@H]2CCCC[C@H]21 380771798 CRJYPDURPPJCPH-WXHSDQCUSA-N 326.234 4.083 0 50 EIAA Clc1cccc(COc2ccccc2-c2cnc3nncn3c2)c1 426361921 JSUIYUDWZPECEG-UHFFFAOYSA-N 336.782 4.024 0 50 EIAA CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc2cc[nH]c2c1 512707203 FJADANSAIRGQDD-UHFFFAOYSA-N 342.826 4.362 0 50 EIAA C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(C(F)F)nc1 850451794 GOSZYOYHLBVCSR-MLGOLLRUSA-N 334.366 4.360 0 50 EIAA CC(C)c1ccoc1C(=O)Nc1cccc2c1OC(C)(C)C[C@H]2O 885658623 CCEVHTKQWYAMJA-OAHLLOKOSA-N 329.396 4.250 0 50 EIAA Fc1ccc(N2CCC(NC3(c4ccccc4)CC3)CC2)cc1F 1506399429 NNQKVPZFELYFGV-UHFFFAOYSA-N 328.406 4.213 0 50 EIAA FC1(F)CCC(CN2CCc3[nH]nc(-c4ccccc4)c3CC2)CC1 1875242687 ZSNPBXNBLJDUQV-UHFFFAOYSA-N 345.437 4.303 0 50 EIAA Cc1cc(NC(=O)N2CCC[C@@H]2c2cc(F)ccc2F)n(C(C)C)n1 2325807933 KIAMVCIQUNDHEM-MRXNPFEDSA-N 348.397 4.420 0 50 EIAA c1ccc(CCc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 98668 FXOSXLIETMQJTO-UHFFFAOYSA-N 334.448 4.003 0 50 EIAA CC(C)c1ccccc1NC(=S)NC1CC(C)(C)NC(C)(C)C1 110452 PTNJKVOGKJNFCY-UHFFFAOYSA-N 333.545 4.406 0 50 EIAA Cc1cc(C)c2c(N)c(C(=O)Nc3cccc4cccnc34)sc2n1 141451 QRXXWISWBNPJKM-UHFFFAOYSA-N 348.431 4.296 0 50 EIAA CC[C@H](Sc1nccn1C)C(=O)Nc1cccc2ccccc12 444136 BCHWASJQXLXOIW-INIZCTEOSA-N 325.437 4.083 0 50 EIAA COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(OC)c1 462011 WWUGTQLHCIGQOW-UHFFFAOYSA-N 349.814 4.153 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1cncc(Br)c1 620691 TZCOLEHRRSESKR-UHFFFAOYSA-N 345.118 4.115 0 50 EIAA COc1nc2c(C)cccc2cc1-c1noc(COc2ccccc2)n1 1075974 QNUWFTJSUAZIFU-UHFFFAOYSA-N 347.374 4.181 0 50 EIAA Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3C)C2=O)cc1C 1165317 YTGFGVVSDIXAGW-MRXNPFEDSA-N 342.826 4.009 0 50 EIAA Cc1nc2ccc(NC(=S)Nc3ccccc3F)cc2nc1C 1191438 SKIVNGKWIYLEHP-UHFFFAOYSA-N 326.400 4.195 0 50 EIAA COc1cc(C=O)ccc1Oc1ncnc2sc3c(c12)CCCC3 2608270 VUNVFFWSPCLOHT-UHFFFAOYSA-N 340.404 4.184 0 50 EIAA Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1Cl 4836019 KKSVXJBEEUVAOH-UHFFFAOYSA-N 349.799 4.022 0 50 EIAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)Cc1ccccc1 4865891 ABPPJPQNQXWKBC-UHFFFAOYSA-N 343.386 4.379 0 50 EIAA CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 4894069 XSBLEZXJFNXQRF-GFCCVEGCSA-N 336.501 4.271 0 50 EIAA CC(C)COc1ccccc1NC(=O)c1ccc(Br)o1 8723037 SOAGTPKLINYMGZ-UHFFFAOYSA-N 338.201 4.329 0 50 EIAA Cc1nn(CCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C 16648819 WGFKRCJSWIJAPK-UHFFFAOYSA-N 326.227 4.144 0 50 EIAA CCN1CCN(CCCCOc2c(Cl)ccc3ccccc23)CC1 20406264 RHDHFKCOMRFDCE-UHFFFAOYSA-N 346.902 4.290 0 50 EIAA Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cc1C 20615445 CUQJLVLWAJVKFS-UHFFFAOYSA-N 347.390 4.213 0 50 EIAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1F 33087356 NHXBBANFRXACEE-AWEZNQCLSA-N 335.354 4.193 0 50 EIAA Nc1cc(Cl)c(OC(F)(F)[C@@H](F)C(F)(F)F)cc1Cl 33997027 PIANCHDAVNRLDV-ZETCQYMHSA-N 328.039 4.448 0 50 EIAA CC(C)Cc1ncc2c(n1)CN(C(=O)C1(c3ccccc3)CCCC1)C2 67724360 JIQPNSCWXMPPTB-UHFFFAOYSA-N 349.478 4.029 0 50 EIAA Clc1ccc2[nH]c(CCCn3ccnc3-c3ccoc3)nc2c1 72418993 UDLYQVVVYUKVQD-UHFFFAOYSA-N 326.787 4.306 0 50 EIAA CC(C)c1nnc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2Cl)o1 97447092 XVAISCSFZQQHJF-MRVPVSSYSA-N 343.214 4.383 0 50 EIAA C[C@@H](C(=O)Nc1nc2c(ccc3ccccc32)s1)C1CCOCC1 164809766 JCEMHLOEWVVHAE-GFCCVEGCSA-N 340.448 4.451 0 50 EIAA O=C(NC1CCN(Cc2cccs2)CC1)c1sccc1C1CC1 170597148 KSDXZMGMGFRIHO-UHFFFAOYSA-N 346.521 4.081 0 50 EIAA O=C(O)CCCCCCNCc1ccc(-c2c(F)cccc2F)o1 170612907 PHTQTEQYBAEZHS-UHFFFAOYSA-N 337.366 4.350 0 50 EIAA Cc1ccc(C(=O)C(=O)N(C)c2nc3cc(Cl)ccc3s2)cc1 225509479 HPRSZLIRZPNDLB-UHFFFAOYSA-N 344.823 4.104 0 50 EIAA Cc1nc(C)c(-c2csc(-c3ccc(N4CCCC4)nc3)n2)o1 274185602 JSEKNNBRWDIVAT-UHFFFAOYSA-N 326.425 4.077 0 50 EIAA c1ccc(CCCCCCN[C@@H]2CCOC3(CCOCC3)C2)cc1 886168183 KYVCMEIJIMCMEM-HXUWFJFHSA-N 331.500 4.107 0 50 EIAA CO[C@@H]1CCCN(c2ccnc3cc(OC(F)(F)F)ccc23)CC1 899877323 RJMHLGGYHZCNAH-GFCCVEGCSA-N 340.345 4.139 0 50 EIAA CCc1ccc2ccccc2c1CN1CCC(CCC(=O)O)CC1 903408161 FRAPBJVDSQCBGX-UHFFFAOYSA-N 325.452 4.479 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2 1704305338 PIYVOQNJAWFOIO-HKJRRLRMSA-N 345.527 4.401 0 50 EIAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N(C(=O)c2cccc(-c3ccncc3)n2)C1 2325791701 RHHNJUUHNSXQTP-SYNHAJSKSA-N 335.451 4.184 0 50 EIAA CCC[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)c1nccs1 2325854699 QNRWFJXOKAYZOE-OAHLLOKOSA-N 345.399 4.166 0 50 EIAA O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1 51638 FKSUXNIVSDBFES-UHFFFAOYSA-N 341.417 4.168 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 63650 AOWIVLKTOMGERN-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA O=C(COc1cccc(Br)c1)Oc1ccccc1Cl 148530 YZROURKNUKORQW-UHFFFAOYSA-N 341.588 4.087 0 50 EIAA COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(OC)c1 210773 SRVZPPIINGSGSD-UHFFFAOYSA-N 325.452 4.159 0 50 EIAA O=C1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C2(CCCCC2)O1 309893 TZZSAZSJGUSFKK-LLVKDONJSA-N 342.222 4.198 0 50 EIAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 316455 APCNZIHYKUFRNY-CVEARBPZSA-N 335.359 4.192 0 50 EIAA CCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 457223 JWCWFMIDUMLHSY-UHFFFAOYSA-N 341.461 4.186 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)cc1C 466773 HADJTRBTOJKUJE-UHFFFAOYSA-N 327.380 4.289 0 50 EIAA CCOC(=O)c1cc(-c2ccccc2)nnc1Sc1ccccc1 1391002 GIBYMFFTFQCRPS-UHFFFAOYSA-N 336.416 4.472 0 50 EIAA CCOC(=O)c1cnn2c(C(F)F)cc(-c3ccc(CC)cc3)nc12 2751993 ITCNWVOCMIZRAK-UHFFFAOYSA-N 345.349 4.073 0 50 EIAA CCc1ccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)cc1 2873053 ABPWOZPLTILTJV-UHFFFAOYSA-N 336.460 4.478 0 50 EIAA CCC(C)(C)c1ccc(OCCCCNC[C@@H](C)O)c(Cl)c1 2881595 WMGBGKRBSCQQIQ-CQSZACIVSA-N 327.896 4.157 0 50 EIAA Cc1ccc(F)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 4869316 GTJFEOOITAUXHV-UHFFFAOYSA-N 334.199 4.242 0 50 EIAA COc1ccc(C[C@@H](C)NCCc2cccc(Cl)c2)cc1OC 4989465 ZOYFTYFFKMZGGJ-CQSZACIVSA-N 333.859 4.121 0 50 EIAA Cc1cc(C(=O)Nc2ccccc2C(N)=O)sc1-c1ccccc1 13326402 ZCURFQBTSAIDBN-UHFFFAOYSA-N 336.416 4.075 0 50 EIAA CCCc1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cs1 17068622 FDRPFOLHDAZBLP-LBPRGKRZSA-N 333.453 4.209 0 50 EIAA Cc1ccc(CN(C(=O)Cc2csc(C)n2)C2CCCC2)s1 72468667 MSHSULYDPGFZBM-UHFFFAOYSA-N 334.510 4.335 0 50 EIAA CO[C@H](C)C(=O)Nc1cccc(NCc2ccccc2OC(C)C)c1 121650468 GSNZIIYCNDYTQD-OAHLLOKOSA-N 342.439 4.059 0 50 EIAA O=C(c1cc[nH]c1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 175511560 VNKCLPVIPJGVBM-ZDUSSCGKSA-N 339.222 4.005 0 50 EIAA O=C(Nc1cnccc1-c1cccc(F)c1)[C@@H]1CCOc2ccccc21 177545499 WMIHRRCZTULXIZ-GOSISDBHSA-N 348.377 4.393 0 50 EIAA Cc1cccc([C@H]2CCCN2C(=O)Nc2cnc3ccccc3c2)n1 178568647 MHOXEQHDGPMNKM-LJQANCHMSA-N 332.407 4.307 0 50 EIAA COc1cccc2[nH]cc(CC(=O)N(c3ccccn3)C3CCCC3)c12 183137530 IFBOZKJLOHBKAY-UHFFFAOYSA-N 349.434 4.090 0 50 EIAA CSc1cccc(C)c1NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 184941747 ACEABCCFDHHNKS-OAHLLOKOSA-N 344.484 4.091 0 50 EIAA C[C@H](c1ccc2c(c1)CCC2)S(=O)(=O)Cc1csc(C2CC2)n1 414409000 FCFGOQFLMPRZCC-GFCCVEGCSA-N 347.505 4.185 0 50 EIAA C[C@@H](c1ccc(-c2ncc(C(=O)O)cc2Cl)cc1)N1CCCC1 534669301 ZHYJAWFKVDLUNS-LBPRGKRZSA-N 330.815 4.257 0 50 EIAA CC[C@H](C)C(=O)Nc1ccccc1NC(=O)c1c(F)cccc1OC 822560061 RCLWHGYXPQXWRA-LBPRGKRZSA-N 344.386 4.071 0 50 EIAA O=C(Nc1ccnn1C1CCC1)c1csc(-c2cccs2)n1 890349365 WBALXVCCHMCPHA-UHFFFAOYSA-N 330.438 4.045 0 50 EIAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 952971320 GMQLWMYDKCVMPD-MCWVRSQISA-N 347.462 4.066 0 50 EIAA COc1ccc(/C=C/CN[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 952979474 NERUQMZHEDVCDL-YSBBZMCOSA-N 341.495 4.018 0 50 EIAA CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)cc2Cl)CCC1=O 1775984163 IHHBFSPHPOQRDD-CYBMUJFWSA-N 343.298 4.072 0 50 EIAA CCCc1ccccc1COC(=O)c1cc(Cc2ccccc2)[nH]n1 1875322996 RFELAOIOUNPURK-UHFFFAOYSA-N 334.419 4.310 0 50 EIAA Cc1ccc2ncc(NC(=O)c3oc4ccccc4c(=O)c3C)cc2c1 1875337640 CEBHGCGGTDLPTA-UHFFFAOYSA-N 344.370 4.210 0 50 EIAA CCCOc1ccc(C(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)cc1C(C)C 2325758368 GYWKANNGHPMMTQ-SCAQPMJSSA-N 333.472 4.285 0 50 EIAA c1ccc([C@H]2C[C@@H]2c2noc(-c3cccc(C4OCCO4)c3)n2)cc1 2325774377 VWBOZEBRLJIILO-SJORKVTESA-N 334.375 4.053 0 50 EIAA COc1cc(OC)c(C(=O)Nc2cccc3ccccc23)cc1OC 365315 JILNHEMBSLEZDV-UHFFFAOYSA-N 337.375 4.118 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 423596 JTQJHOXDFIWXMW-UHFFFAOYSA-N 346.745 4.395 0 50 EIAA CCOc1cc(CO)ccc1OCc1ccc(Cl)c(Cl)c1 470053 BKPBVNMBOUEFLF-UHFFFAOYSA-N 327.207 4.463 0 50 EIAA O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1cccc2ccccc12 561748 CEVLVWKLFYVNIV-HNNXBMFYSA-N 327.387 4.237 0 50 EIAA C[C@@H]1CCCN(CCOCCOc2ccc(Cl)c(Cl)c2)C1 2825132 XSKHKJBWMOZMEE-CYBMUJFWSA-N 332.271 4.121 0 50 EIAA Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)c(C)c1 2883268 LAMRCTJNQMMBRN-OAHLLOKOSA-N 344.414 4.444 0 50 EIAA CC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 4158775 XLGZTDYBZNRRPS-UHFFFAOYSA-N 325.408 4.204 0 50 EIAA CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccs1 4513057 PWAGMWSDYWZWLU-UHFFFAOYSA-N 347.827 4.114 0 50 EIAA O=C(Nc1ccccc1)C(=O)NC1CCCCCCCCCCC1 4694308 LYXWHYFCXFDYRX-UHFFFAOYSA-N 330.472 4.415 0 50 EIAA Cc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 4868108 YJYKHVZQBXJMCF-UHFFFAOYSA-N 333.435 4.417 0 50 EIAA Cn1ncc(Cl)c1C(=O)Nc1ccccc1Oc1ccccc1 6741163 QUXCTRPGIREEMI-UHFFFAOYSA-N 327.771 4.118 0 50 EIAA Cc1ccc(NC(=O)c2nnn(-c3cc(C)ccc3Cl)c2C)cc1 8022407 QUCSLRMCGKSXMY-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA CC/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O 27645241 BLWCDFIELVFRJY-UAGGVQAVSA-N 336.472 4.158 0 50 EIAA endogenous,in-man O=C(NC1(c2ccc(Br)cc2)CC1)OCc1ccccc1 38537771 JEQGBWWBXOGYMZ-UHFFFAOYSA-N 346.224 4.365 0 50 EIAA in-vitro CCOC(=O)c1ccc(-c2cc(O)cc(Br)c2)cc1F 65343950 NHIBDYPEPVVATO-UHFFFAOYSA-N 339.160 4.138 0 50 EIAA in-vitro Cc1n[nH]c(C)c1CCn1ccnc1-c1c(F)ccc(Cl)c1F 71762001 XPDAVGDJVAUSPI-UHFFFAOYSA-N 336.773 4.064 0 50 EIAA COC(OC)c1cc(Br)ccc1OCc1ccccc1 95496013 VXVGVYXZKHSEDA-UHFFFAOYSA-N 337.213 4.320 0 50 EIAA in-vitro Cc1cnc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)o1 127963363 LDLYLLBMVHRXPM-SFHVURJKSA-N 328.799 4.330 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCCOc2c(F)cccc21 130180392 QNRRTMRPYYCRMP-AWEZNQCLSA-N 345.374 4.035 0 50 EIAA Cc1noc(CCC(=O)N(c2ccc(Cl)c(Cl)c2)C(C)C)n1 132211469 VACLHVTUHVOJMB-UHFFFAOYSA-N 342.226 4.059 0 50 EIAA Cc1nnc([C@H](C)OC(=O)c2cc(C(C)C)cc(C(C)C)c2O)o1 140643927 PXHPLBLUPCFCAP-NSHDSACASA-N 332.400 4.248 0 50 EIAA Cc1ccc([C@@H]2CCCCN2Cc2cc(=O)n3cccc(C)c3n2)cc1 170639796 UOMBQCQJCNOGIY-FQEVSTJZSA-N 347.462 4.039 0 50 EIAA Cc1nc(S[C@H](C)C(=O)N(C)C)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 248066534 ZUNIJTNKJZNGAJ-BQJWPVKWSA-N 349.544 4.066 0 50 EIAA C[C@@H]1CCCC[C@H]1N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 253409292 ZYZBUARHBCRTFR-CNDZOEFASA-N 335.447 4.109 0 50 EIAA c1csc(Cn2c(C3CC3)nnc2N2CCC[C@H]2C2CCC2)c1 290992878 ATRTWJVZVBAEQQ-INIZCTEOSA-N 328.485 4.034 0 50 EIAA O=C(c1cc[nH]c1C1CC1)N1CCC[C@@H](Oc2ccccc2Cl)C1 339958287 GNDWZPYHFCUFNE-CQSZACIVSA-N 344.842 4.229 0 50 EIAA C[C@@H](c1ccccc1F)N1CCC(c2ccccc2C(=O)O)CC1 364837305 FPQDBOZNAMEDFY-AWEZNQCLSA-N 327.399 4.465 0 50 EIAA CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cccc(Cl)c1C2 409418973 JMFXKWUSMIAQIR-UHFFFAOYSA-N 336.863 4.325 0 50 EIAA Cc1noc(C)c1[C@H](C)NC[C@H]1CCN(c2ccccc2Cl)C1 926675055 HJNDGHOITDFLML-SWLSCSKDSA-N 333.863 4.122 0 50 EIAA CCc1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1184679496 XRRWYIHXLUVMDU-UHFFFAOYSA-N 331.220 4.324 0 50 EIAA O=C(Nc1cc(F)c(F)c(F)c1F)c1cccc2scnc12 1288034632 LPUQKMIACMSJPU-UHFFFAOYSA-N 326.274 4.105 0 50 EIAA CCc1ccccc1NC(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 1506403983 YHRRJHYHFZGDAK-KRWDZBQOSA-N 337.467 4.239 0 50 EIAA Cc1ccccc1-c1ncc(-c2nccn2[C@H]2CCC[C@H]2CO)s1 1857684005 VJYNWTBLRUNVGZ-HOCLYGCPSA-N 339.464 4.316 0 50 EIAA C[C@@H](NCCn1ccc2cc(Cl)ccc21)c1cccc2c1OCO2 2325870065 IETKIVNYKWIVDY-CYBMUJFWSA-N 342.826 4.374 0 50 EIAA c1ccc(N2CCN(c3ccccc3)C2c2ccc3c(c2)OCO3)cc1 286201 WXWZUKKNOSAETI-UHFFFAOYSA-N 344.414 4.441 0 50 EIAA O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(Br)o1 375351 KNBVVORTBICDGB-UHFFFAOYSA-N 349.011 4.279 0 50 EIAA COc1ccc(C(=O)CSc2nc3cc(C)c(C)cc3[nH]2)cc1 432144 QFWHJIXWIIVOSE-UHFFFAOYSA-N 326.421 4.163 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cccs1 449699 PTHMSOBTOPSSGP-UHFFFAOYSA-N 331.249 4.182 0 50 EIAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 463706 GVJCIGJAHLKRNO-UHFFFAOYSA-N 325.195 4.185 0 50 EIAA CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 473250 DKMFEWIELGMQPE-UHFFFAOYSA-N 347.436 4.428 0 50 EIAA Ic1cccc(-c2nc(-c3ccccc3)no2)c1 2825105 CYUKNZCDWVDHKE-UHFFFAOYSA-N 348.143 4.008 0 50 EIAA Cc1cc(C)c(OCCCNC2CCCC2)c(Br)c1 2845209 UOMUQAJKVVYJKR-UHFFFAOYSA-N 326.278 4.367 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 3002958 OJTWLUARQHYPJM-UHFFFAOYSA-N 326.465 4.464 0 50 EIAA CCOP(=O)(CCCCP(=O)(OCC)OCC)OCC 4284000 RODFSBORIZJBLE-UHFFFAOYSA-N 330.298 4.299 0 50 EIAA CC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl 4529853 AAUHUNSRJCWRNE-VIFPVBQESA-N 333.067 4.265 0 50 EIAA COc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)CCC2 4737024 PJFBCFQSCDFQJM-UHFFFAOYSA-N 333.391 4.144 0 50 EIAA COc1ccc(Cl)cc1NC(=O)C(C(F)(F)F)C(F)(F)F 5051019 OZEMBOOEFICOSX-UHFFFAOYSA-N 335.631 4.028 0 50 EIAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 7056451 MNJQJRJMYTZPDW-ZDUSSCGKSA-N 349.452 4.018 0 50 EIAA Cc1cc(C)nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 8548818 PYQVJJZTFRNSNW-LLVKDONJSA-N 339.222 4.411 0 50 EIAA O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccco1 9231001 FPXPJGDJOBMEQR-UHFFFAOYSA-N 346.814 4.248 0 50 EIAA C=Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1 11818225 XMBPCEVZVPCZMR-QGZVFWFLSA-N 342.389 4.325 0 50 EIAA CCOC(=O)c1sc(-c2ccc(Br)cc2)nc1C 15442780 AVMBOOUDIFIANG-UHFFFAOYSA-N 326.215 4.058 0 50 EIAA CC(C)Cc1cn[nH]c1[C@H]1CCCN(Cc2ccc(F)cc2F)C1 19782069 KGBYHODQBBPBQV-HNNXBMFYSA-N 333.426 4.266 0 50 EIAA CCC[C@@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccccc1 19789569 ZVJBALIZZIYNMS-GOSISDBHSA-N 326.440 4.147 0 50 EIAA CCC1=NO[C@@H](Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)C1 20363717 OCSDXHIFHRSRKB-LJQANCHMSA-N 332.407 4.167 0 50 EIAA O=C(N/C=C/c1ccc(Br)cc1)OCc1ccccc1 65337154 QTNNGECHOBOGOH-ZHACJKMWSA-N 332.197 4.346 0 50 EIAA CSc1cccc(NC(=O)N2CCCC[C@H]2CCn2cccn2)c1 72164631 RMDRTROFZPLQLQ-INIZCTEOSA-N 344.484 4.082 0 50 EIAA CCc1cc(NCc2csc(-c3cccs3)n2)n2nccc2n1 72407378 SWFBJGIIOIAFRD-UHFFFAOYSA-N 341.465 4.089 0 50 EIAA CO[C@H]1CCCN(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 95508099 NBVZJKFUQWHBSM-SFHVURJKSA-N 328.387 4.135 0 50 EIAA O=C(CCc1c[nH]c2ccccc12)NCc1coc(-c2ccccc2)n1 132832384 MIXBRWZOJUQAOX-UHFFFAOYSA-N 345.402 4.072 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)Nc1ccc(OCC2CC2)cc1 190192469 DJGICBHMXHWCEC-UHFFFAOYSA-N 327.384 4.293 0 50 EIAA COc1ccc2cc(CNc3ccc(C(F)(F)F)nn3)ccc2c1 225508725 LMQQSCMORNOQCR-UHFFFAOYSA-N 333.313 4.269 0 50 EIAA CCc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1 239415233 UAPMFWFLFBRFLV-FCHUYYIVSA-N 326.528 4.478 0 50 EIAA COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2Cl)cc1 239475410 AOBGNMLTZIDGHZ-ZMMAXQRCSA-N 341.838 4.124 0 50 EIAA O=c1oc(/C=C/c2nc3ccc(F)cc3s2)nc2c(F)cccc12 328593134 FOWNSWCQHIDMKI-VOTSOKGWSA-N 342.326 4.246 0 50 EIAA Cc1nnc(-c2ccc(C(=O)N3CC4(CCC4)[C@H]3c3ccco3)cc2)o1 456580540 YCOVESZPPUWZQD-QGZVFWFLSA-N 349.390 4.005 0 50 EIAA NC(=S)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 675031641 VYAYVOFYWXJGBN-UHFFFAOYSA-N 327.236 4.228 0 50 EIAA CCC(CC)(CC)S(=O)(=O)[C@H](C)c1nnc(-c2cccs2)o1 864091417 UQIZMSPLCXNKTK-LLVKDONJSA-N 342.486 4.243 0 50 EIAA FC(F)(F)CN1CCN(Cc2cccc3c2oc2ccccc23)CC1 952868820 HEBBYRRXDRQOLT-UHFFFAOYSA-N 348.368 4.266 0 50 EIAA CCCn1cc(Cn2ccnc2-c2cccc(CC(F)(F)F)c2)cn1 1857682474 KZMONSPKOQTSCV-UHFFFAOYSA-N 348.372 4.310 0 50 EIAA COc1ccc(OC)c(/C=C/C(=O)Nc2cc(Cl)ccc2C)c1 48116 ZOFCLGTUXHBPJX-WEVVVXLNSA-N 331.799 4.318 0 50 EIAA Cc1cc(C)c(-n2nnnc2SCc2ccc(F)cc2)c(C)c1 367985 MCVUFTANDIZWBD-UHFFFAOYSA-N 328.416 4.019 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 394056 KJDDAZPFGUKHAX-UHFFFAOYSA-N 335.428 4.367 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c2c1 457473 ILJCFVGMRRJACE-OAHLLOKOSA-N 333.387 4.280 0 50 EIAA COc1ccc([C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2)cc1 608997 VAERMFFBKZWOOC-FQEVSTJZSA-N 335.378 4.354 0 50 EIAA CCc1ccc(OCc2ccc(C(=O)NCc3ccco3)cc2)cc1 2761325 UXVKPYODKABTQH-UHFFFAOYSA-N 335.403 4.351 0 50 EIAA COc1cc2cc(OC)c(Br)cc2cc1Br 5720283 IXKYNFRCDWZQOX-UHFFFAOYSA-N 346.018 4.382 0 50 EIAA in-vitro Cn1c(Cc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1 13325442 TZQIDSHSEXBZAC-UHFFFAOYSA-N 347.846 4.491 0 50 EIAA Cc1cccc(-c2ncc(CNCc3cccc4[nH]ccc34)cn2)c1 55042152 VCAZRFWHVBOBPK-UHFFFAOYSA-N 328.419 4.223 0 50 EIAA COc1ccccc1CN(C(=O)c1cc(-c2ccccc2)on1)C1CC1 55120090 SQYSRVDXMDKIFA-UHFFFAOYSA-N 348.402 4.155 0 50 EIAA C[C@@H]1CN(Cc2nc3ccccc3n2C)Cc2cc(Cl)ccc2O1 67842458 REFYOOHJMHKOBL-CYBMUJFWSA-N 341.842 4.010 0 50 EIAA Cc1ccccc1NC(=O)Cn1ccnc1-c1cc2ccccc2o1 72476457 KKPSBRDSCMWFDL-UHFFFAOYSA-N 331.375 4.243 0 50 EIAA COC(=O)NCc1ccc(NCc2ccn(Cc3ccccc3)c2)cc1 125652189 VOXKACQIZCOLBS-UHFFFAOYSA-N 349.434 4.005 0 50 EIAA COc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1OC 136898808 MSAYDMJFSCQXQL-UHFFFAOYSA-N 330.771 4.280 0 50 EIAA CCc1cc(=O)[nH]c(-c2ccc(NCC3CCCCCCC3)nc2)n1 170623496 CMDWRPJYPCEXSJ-UHFFFAOYSA-N 340.471 4.167 0 50 EIAA Cc1nc([C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)no1 253433187 SYZBYJDISOKIEO-SSDOTTSWSA-N 340.330 4.193 0 50 EIAA COc1cccc(-c2nc(CN3CCCC34CCC4)cs2)c1OC 373095590 SPADRBHMZWOPLP-UHFFFAOYSA-N 344.480 4.346 0 50 EIAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(F)cc3Cl)C1)CC2 1704303749 BCGOIEOAJHEJKV-IBGZPJMESA-N 345.849 4.058 0 50 EIAA CCn1nccc1[C@H](C)Nc1ccc(C)c(C(=O)N2CCCCC2)c1 1875285674 VVIGAJCERANCRA-INIZCTEOSA-N 340.471 4.011 0 50 EIAA Cc1cnc(N(C)C(=O)c2ccncc2N[C@H]2CCC(C)(C)C2)s1 1875405797 ORCCBUYWFNSFEZ-ZDUSSCGKSA-N 344.484 4.114 0 50 EIAA CC(C)(C)c1ccc(NC(=O)NC2CC3(CC(O)C3)C2)cc1Cl 2325865279 VMVWRVGIIXKTBA-UHFFFAOYSA-N 336.863 4.063 0 50 EIAA COc1cccc(OC)c1C(=O)Nc1cc(Cl)cc(Cl)c1 116302 DTMRGXKWPLSXRQ-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1Cl 452370 FKIMIYAPDGVHKX-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA O=C1CSC2=NC3=C(CCc4ccccc43)[C@@H](c3cccs3)N12 1035658 RTXCLWRWBGCUBW-KRWDZBQOSA-N 338.457 4.092 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)CC2=O 4806564 MUGZYQVSRITIFW-SJORKVTESA-N 339.357 4.429 0 50 EIAA Cc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1 5059656 CFIHGFAAWAKLBO-UHFFFAOYSA-N 347.370 4.318 0 50 EIAA CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(C)=O)c1 6743076 OLRHUULHDJMCSP-KRWDZBQOSA-N 346.814 4.095 0 50 EIAA CC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 10461580 LQURLZWHEPKPGC-IBGZPJMESA-N 336.435 4.344 0 50 EIAA Cc1oc(-c2cccc(F)c2F)nc1CN(C)[C@H](C)c1ccon1 15074129 DVQKWJVKXSYAMI-SNVBAGLBSA-N 333.338 4.109 0 50 EIAA c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1 19912832 ZJMLMBICUVVJDX-UHFFFAOYSA-N 329.443 4.311 0 50 EIAA in-vitro Cc1ccc(CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1 22734516 GQCJPYUBTPGHGL-UHFFFAOYSA-N 332.850 4.105 0 50 EIAA CCOc1ccccc1N1CCN(Cc2cccc(Cl)c2)CC1 55543995 VXWMIYKFRGEGHD-UHFFFAOYSA-N 330.859 4.061 0 50 EIAA CCOc1cccc(Oc2cc(CN3CCCC3)ccc2OC)c1 67784747 IVGHHIJAMXZMIG-UHFFFAOYSA-N 327.424 4.482 0 50 EIAA Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3cccc(F)c3)cn12 77353815 NRFMYEFBLSGVID-GOSISDBHSA-N 337.398 4.149 0 50 EIAA Cc1ccc(C2(C(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)CC2)cc1 82137147 FNLTTZGLDCJXKT-LJQANCHMSA-N 348.490 4.012 0 50 EIAA COc1ccccc1C[C@H](C)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 170669664 FRCBQYITQVKREN-MGPUTAFESA-N 337.467 4.489 0 50 EIAA CC(C)(C)c1cc(COC(=O)c2cccn2Cc2cccs2)no1 225690540 CLAFRXZZRVGKAB-UHFFFAOYSA-N 344.436 4.240 0 50 EIAA c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](N[C@@H]2CCOc4ccccc42)C3)cc1 248408659 CGJFPXBAYQZJKY-XWSHUIEDSA-N 348.490 4.295 0 50 EIAA C[C@H]1CN(C)CCCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 299756310 LLYLYNXRQQHOLD-HNNXBMFYSA-N 341.430 4.051 0 50 EIAA O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCC(C(F)(F)F)CC1 408513993 NTPICNRVMQNHRQ-UHFFFAOYSA-N 337.345 4.488 0 50 EIAA Cc1csc(CCC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)n1 452512908 PTJJGSAOLUTSIM-RYUDHWBXSA-N 334.407 4.012 0 50 EIAA O=C(c1ccc(O)cc1F)N1Cc2ccccc2C[C@H]1c1ccccc1 1446421550 LQWUCCGBELLERZ-NRFANRHFSA-N 347.389 4.471 0 50 EIAA CSc1ccc2c(C)cc(N3CCC(c4cc[nH]n4)CC3)nc2c1 1704314929 YLNLKSYMCUHBEU-UHFFFAOYSA-N 338.480 4.372 0 50 EIAA Cc1cccc(OCc2nn3c(CSC(C)C)nnc3s2)c1C 1775972231 PJSPSJTWFJGJMC-UHFFFAOYSA-N 348.497 4.023 0 50 EIAA O=C(CCc1cncc2ccccc12)OCc1ccc(F)c(F)c1F 2325737144 RSAIXHNHTJCQFO-UHFFFAOYSA-N 345.320 4.328 0 50 EIAA COc1ccccc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 203502 BPCBHLCQTLAFBG-UHFFFAOYSA-N 349.415 4.324 0 50 EIAA CCN(C(=O)COc1ccc(Br)cc1C)c1ccccc1 358964 UUJONQZXZQOMDL-UHFFFAOYSA-N 348.240 4.189 0 50 EIAA CC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1 392252 OHGZSCXLSSWMKH-UHFFFAOYSA-N 334.799 4.333 0 50 EIAA COc1cccc(-c2csc(NC(=O)c3ccccc3OC)n2)c1 1791090 YYGCIAICKWKVCH-UHFFFAOYSA-N 340.404 4.080 0 50 EIAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1Cl 2332533 UQDFCUIGEJXPDI-UHFFFAOYSA-N 333.218 4.447 0 50 EIAA biogenic O=S(=O)(Oc1ccccc1)c1cc(Cl)c(Cl)cc1Cl 2982989 ZCHTYQBVAYYLRI-UHFFFAOYSA-N 337.611 4.415 0 50 EIAA Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2O)on1 3908573 ZSLKYLLECOHLQJ-UHFFFAOYSA-N 328.755 4.261 0 50 EIAA COc1cc(CNCc2cccnc2)ccc1OCc1ccccc1C 4413476 KOSUNHNBXVNULS-UHFFFAOYSA-N 348.446 4.267 0 50 EIAA CCCCOc1ccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)cc1 4845934 LSBZHYHVKOXUQL-ATVHPVEESA-N 325.364 4.111 0 50 EIAA C[C@@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 5073649 BBJFXYAQZMJWIG-APWZRJJASA-N 327.468 4.075 0 50 EIAA Cc1ccc2nc(C)cc(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 12462597 HRIDZTONLZEPIE-UHFFFAOYSA-N 346.478 4.347 0 50 EIAA COc1cccc(CN2Cc3cc(Cl)ccc3O[C@@H](C)C2)c1OC 12512611 CBROCQDWLBLKJL-ZDUSSCGKSA-N 347.842 4.140 0 50 EIAA Cc1nc(CNc2nncc(-c3ccc4ccccc4c3)n2)sc1C 12570366 KHGBUTRSXDEKMQ-UHFFFAOYSA-N 347.447 4.377 0 50 EIAA C[C@H]1CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C[C@H](C)O1 16602698 YPNFDDQZGLSLBY-IUCAKERBSA-N 344.263 4.458 0 50 EIAA C[S@@](=O)Cc1cc(NC(=O)CC2=CCCCC2)ccc1Cl 115264698 DVMLVFVIXSPGRG-NRFANRHFSA-N 325.861 4.048 0 50 EIAA CCO[C@H](CNCc1c(C2CC2)nc2sccn12)c1ccccc1 194469538 ZYPWRERIOGSRLA-QGZVFWFLSA-N 341.480 4.141 0 50 EIAA Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@@H](C(F)(F)F)C3)o2)cc1 229178455 KCYLWFYTAFHEDH-TZMCWYRMSA-N 339.361 4.380 0 50 EIAA O=C(C[C@@H]1CCCN1C(=O)c1ccoc1C1CC1)c1cccs1 241588009 OYWVWUUBWIJPSF-ZDUSSCGKSA-N 329.421 4.096 0 50 EIAA COc1cc(F)c([C@@H](C)Nc2ncnc3ccc(F)cc23)cc1OC 301280776 MLLMOIZUGOVVPW-SNVBAGLBSA-N 345.349 4.098 0 50 EIAA CCC(=O)c1cccc(-c2cccc(C(=O)NCCCSC)c2)c1 426373596 JGTWPKTXWPXMSW-UHFFFAOYSA-N 341.476 4.429 0 50 EIAA O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccnn1C1CCCC1 481257025 WLYNAQZZELBSAB-UHFFFAOYSA-N 347.422 4.389 0 50 EIAA COc1ccc(CN[C@H](C)c2nccnc2C)cc1OCCC(C)C 873189068 NIQSFEFVBVMXAN-MRXNPFEDSA-N 343.471 4.069 0 50 EIAA Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1nc(C)c(C)s1 902540102 WBDZJMYMDJJPFJ-LJQANCHMSA-N 339.464 4.157 0 50 EIAA CN(CCCc1ccccc1)C(=O)c1cc2c(F)ccc(F)c2[nH]1 1875253565 GORBGIDDZDYBHJ-UHFFFAOYSA-N 328.362 4.151 0 50 EIAA O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccc2ccoc12 1875359884 SHGRJCRULSVTCQ-UHFFFAOYSA-N 325.748 4.026 0 50 EIAA CNC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3F)cn2)c1 2356166532 BRVRFDXHVMXBDH-UHFFFAOYSA-N 339.345 4.130 0 50 EIAA O=C(Cc1ccccc1)Oc1ccc(-c2cnc3ccccc3n2)cc1 285450 RTEHQELJELASKV-UHFFFAOYSA-N 340.382 4.445 0 50 EIAA O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(Cl)cc1 435440 HEGJAOMSTQKGSG-UHFFFAOYSA-N 347.802 4.174 0 50 EIAA COc1ccc(Cc2noc(-c3ccc(Br)cc3)n2)cc1 442944 RDJLFSQQIKPPIF-UHFFFAOYSA-N 345.196 4.099 0 50 EIAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2C1 473706 HAOMMMYMYKHBLR-UHFFFAOYSA-N 349.455 4.101 0 50 EIAA O=Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(Br)cc1 732152 ZRWQEKSANANTKF-UHFFFAOYSA-N 345.171 4.253 0 50 EIAA COc1cc(C)ccc1OCCOCCOc1cccc(C)c1C 2991339 NDOZFTLLAXHMHJ-UHFFFAOYSA-N 330.424 4.095 0 50 EIAA CCOc1ccc(Br)cc1-c1nc2ccccc2c(=O)o1 4512068 LNIGEAKVJUEDAG-UHFFFAOYSA-N 346.180 4.016 0 50 EIAA O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 11360999 PXHQIKNYIGLNRK-UHFFFAOYSA-N 334.375 4.103 0 50 EIAA CC(C)c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1 12382867 MUDGCMVSCAAXSF-UHFFFAOYSA-N 348.899 4.487 0 50 EIAA Cc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)s1 21806014 FQYHLNGOFKMRML-UHFFFAOYSA-N 335.841 4.481 0 50 EIAA CC(C)c1nc(CN(C)C(=O)C[C@H]2CCc3ccccc32)cs1 82107680 KPQWGAQALWERHP-OAHLLOKOSA-N 328.481 4.345 0 50 EIAA O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 100583410 ZMOJBMXRDLNHAM-LBPRGKRZSA-N 334.202 4.116 0 50 EIAA COc1ccccc1-c1nnc(COc2ccc(Cl)c(F)c2)o1 122121157 LWHAFSOKOQIJTD-UHFFFAOYSA-N 334.734 4.117 0 50 EIAA CCn1ncc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1C(F)(F)F 333032523 AVCFTQXDXKAVNG-SDDRHHMPSA-N 344.381 4.012 0 50 EIAA CCCC[C@@H](NC(=O)CCN1CCCCCCC1)c1cccnc1 822830887 BODHKAXVCWSDEV-LJQANCHMSA-N 331.504 4.085 0 50 EIAA O=C(N[C@H]1CCCOc2c(F)cccc21)N(Cc1ccoc1)C1CC1 894059919 MYUPVHSSUWONOJ-KRWDZBQOSA-N 344.386 4.007 0 50 EIAA COc1ccc(-c2cc(CNc3nc4cccc(C)c4o3)on2)cc1 1186980848 NLNMIQBRXOKWJC-UHFFFAOYSA-N 335.363 4.412 0 50 EIAA COc1ccc([C@H]2CCCN2c2nc3c(s2)CCCC3)c(OC)c1 1875308118 ZKYXVUUTQRJFMA-MRXNPFEDSA-N 344.480 4.381 0 50 EIAA CCCOc1ccc(C(=O)N[C@@H]2CCOC(C)(C)C2)cc1C(C)C 2325758385 XDGOZTJAKNHPQO-MRXNPFEDSA-N 333.472 4.286 0 50 EIAA O=C(NCc1ccccn1)c1cc(-c2ccccc2)nc2ccccc12 217351 SVVHSXUSWLXLBY-UHFFFAOYSA-N 339.398 4.227 0 50 EIAA O=C(Nc1nc(-c2ccccc2)cs1)c1cc2ccccc2oc1=O 313996 JHASMEUHLBAJEX-UHFFFAOYSA-N 348.383 4.169 0 50 EIAA O=C(/C=C/c1ccco1)Nc1ccc(Br)cc1Cl 476502 RCFXHPVCEIZCQB-GQCTYLIASA-N 326.577 4.347 0 50 EIAA CCCc1cc(=O)oc2cc(OC(=O)c3ccco3)c(Cl)cc12 548644 DBHBIENEIVZQBO-UHFFFAOYSA-N 332.739 4.211 0 50 EIAA CN(C)c1cc(C(F)(F)F)cnc1C(=O)c1ccc(Cl)cc1 1401436 PHSOYNXVXMEJIS-UHFFFAOYSA-N 328.721 4.051 0 50 EIAA COc1ccc(OCCCC(=O)Nc2cccc(Cl)c2C)cc1 1778295 CVWBUQIGCITQRQ-UHFFFAOYSA-N 333.815 4.455 0 50 EIAA CCCCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1 2109215 HTBUQHQMFMYKKY-ZWKOTPCHSA-N 329.440 4.415 0 50 EIAA O=C(O)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)cc1 2549572 NSGLLSIOBKKSHI-UHFFFAOYSA-N 336.672 4.158 0 50 EIAA Cc1ccccc1CSCCNC(=O)/C=C/c1ccc(F)cc1 2816104 ZBRWCRGZNWKWNT-DHZHZOJOSA-N 329.440 4.197 0 50 EIAA Cc1c(CC(=O)O)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 4042981 BXUDTPJQXZXHND-UHFFFAOYSA-N 348.354 4.450 0 50 EIAA biogenic Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c1 4856861 IFGLMLYPSHSUIQ-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA Cc1cccc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)n1 12436219 WWIKCNRGTIBZRK-IBGZPJMESA-N 337.467 4.230 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)sc2c1 16603879 CISRYJMKUALXNK-GWCFXTLKSA-N 337.872 4.414 0 50 EIAA C[C@H](Cc1cccs1)NC(=O)c1ccc(CN2CCCCC2)cc1 33206059 SAVLKROSEDOSDN-MRXNPFEDSA-N 342.508 4.095 0 50 EIAA Cc1cc(Oc2ccccc2CN2CCN(C)CC2)nc2ccccc12 67588462 YKLZSZHOZCEQCG-UHFFFAOYSA-N 347.462 4.083 0 50 EIAA CC(=O)c1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)c1 72144791 NCAVPXFARJUHPG-UHFFFAOYSA-N 342.402 4.440 0 50 EIAA Cc1nc(N[C@H]2CCCC[C@@H]2OCc2ccccc2)c2cccnc2n1 95379714 LMJRHJGMOLYKRH-OALUTQOASA-N 348.450 4.273 0 50 EIAA COc1ccccc1[C@H](NCc1cnc2ccc(C)cn12)c1ccco1 157678157 RHRDQLALXRTFCF-NRFANRHFSA-N 347.418 4.124 0 50 EIAA CCn1c(C(=O)N[C@@H]2CCCOc3ccccc32)cc2ccccc21 170608393 WDKRAZICDPSDEH-QGZVFWFLSA-N 334.419 4.305 0 50 EIAA Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nn1cnc2ccccc21 170639219 JMEUODURVRQTSA-HNNXBMFYSA-N 336.439 4.185 0 50 EIAA Cc1noc(-c2ccccc2C(=O)Nc2ccc(C)c3ncccc23)n1 172731902 IJTYFZUHGVFFAH-UHFFFAOYSA-N 344.374 4.154 0 50 EIAA CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ncncc1Cl 177688291 MOISAITZAVFBCS-OAHLLOKOSA-N 347.846 4.046 0 50 EIAA CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@@](C)(C(=O)O)C3)o2)c1 191042206 QFRJZZXHYCACJZ-HXUWFJFHSA-N 341.407 4.007 0 50 EIAA Cc1cc(C)c(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)c(Cl)c1 247891282 FXTVLAQUPJRXSW-CVEARBPZSA-N 334.891 4.407 0 50 EIAA CCCCCOc1ccc(NC(=O)N2CCC3(CCO3)CC2)cc1 299760864 KKSLQMIZEVQTOV-UHFFFAOYSA-N 332.444 4.042 0 50 EIAA Cc1sc2ncnc(Nc3cccc([C@H]4CCC(=O)N4)c3)c2c1C 665750541 VTONHDZKRWYACV-CQSZACIVSA-N 338.436 4.003 0 50 EIAA Fc1c(Cl)cccc1CN(Cc1ccccn1)C[C@H]1CCCO1 1529158449 CYVYULFTISKYGJ-MRXNPFEDSA-N 334.822 4.055 0 50 EIAA CCN(C(=O)c1ccc(-c2sccc2C)cc1)[C@H]1CCCC[C@@H]1O 1565510090 BGWJMSJYPLKWJM-ROUUACIJSA-N 343.492 4.489 0 50 EIAA OC1(Cn2ccnc2-c2ccc(CC(F)(F)F)cc2)CCCCC1 1857692494 HHZWZXQNJPSUIR-UHFFFAOYSA-N 338.373 4.350 0 50 EIAA Cc1cc(C)c2cc(NC(=O)c3cc(-c4ccoc4)[nH]n3)ccc2n1 1875322781 HVMOUOZSIJYXIS-UHFFFAOYSA-N 332.363 4.087 0 50 EIAA CC(C)(CN[C@H]1CCc2cc(-c3cccnc3)ccc21)c1cnccn1 2325807185 GVXRSFZCAUHYRJ-FQEVSTJZSA-N 344.462 4.093 0 50 EIAA O=C(c1cccc(F)c1)N1Cc2ccccc2-c2ccccc2C1=O 227578 UWSFUQJHMJWWFC-UHFFFAOYSA-N 331.346 4.289 0 50 EIAA COc1cccc(OC)c1C(=O)Nc1ccc(Cl)cc1Cl 271976 LPPBGDFVAOUOKT-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 620413 TWERYHRCEGDWKB-BLLLJJGKSA-N 347.336 4.389 0 50 EIAA Cc1ccccc1CNC(=O)CSCc1c(F)cccc1Cl 1056711 SORFEFIYDXQCOT-UHFFFAOYSA-N 337.847 4.337 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1 2053721 HDQRJYZMPQSDCL-UHFFFAOYSA-N 342.464 4.165 0 50 EIAA CCc1cc(OCCOCCN2C[C@@H](C)C[C@H](C)C2)ccc1Cl 2823026 QRLNFGUEUKAUKK-HOTGVXAUSA-N 339.907 4.276 0 50 EIAA O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(O)cc2)on1 3907787 JZRYBXQMOMQNJF-UHFFFAOYSA-N 348.280 4.318 0 50 EIAA Cc1cc(C)c(NC(=O)CSc2ccccc2C(=O)O)c(C)c1 5302556 LXOKGYDBYATRAC-UHFFFAOYSA-N 329.421 4.041 0 50 EIAA COc1ccc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 5729800 ZUXJYWAFEHIOHI-UHFFFAOYSA-N 336.265 4.193 0 50 EIAA biogenic Cc1cccc(-c2nc(CN3CCN(C4CCCC4)CC3)c(C)o2)c1 19788992 MKBLPMQLASBJOO-UHFFFAOYSA-N 339.483 4.019 0 50 EIAA CSCCc1c(-c2ccccc2)ncn1[C@H](C)CCn1cccn1 63884013 MUHXHTDOCMRQRH-MRXNPFEDSA-N 340.496 4.303 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)[nH]n1 71759942 SXFMVSDIUZNJND-KRWDZBQOSA-N 325.456 4.018 0 50 EIAA C[C@H](c1cncs1)N(C)C(=O)COc1ccc(Cl)cc1Cl 91535329 HWXIMBUASNVTFQ-SECBINFHSA-N 345.251 4.048 0 50 EIAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C)cc2C)C1 95356318 RKMCQSXSRVFPNL-SFHVURJKSA-N 339.483 4.320 0 50 EIAA COC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1 146538150 GEGKWPBAXXXQEU-UHFFFAOYSA-N 331.586 4.078 0 50 EIAA CCCCc1oc2ccccc2c1CN1CCC(C(=O)N(C)C)CC1 162587542 UWYIFPZYJNNUMT-UHFFFAOYSA-N 342.483 4.076 0 50 EIAA O=C(NCCC[C@@H]1CCCCO1)Nc1ccccc1-c1ccncc1 170595367 VXXBXPCLEKNBLG-KRWDZBQOSA-N 339.439 4.219 0 50 EIAA CC(C)(C)c1cnc(CCC(=O)Nc2ccc(OC(F)F)cc2)o1 170600142 UDOVKWYSZIARSK-UHFFFAOYSA-N 338.354 4.145 0 50 EIAA Cc1nc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)nc2ccccc12 190161301 BRVSYUPFDVJHLT-OAHLLOKOSA-N 337.389 4.349 0 50 EIAA Cc1ccccc1NC(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1 239882233 DAPGXQOUCOUGBX-QZTJIDSGSA-N 329.488 4.113 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@H]2O 252441329 QIOYEDVDPAWRGZ-MUJBESKKSA-N 332.484 4.053 0 50 EIAA CSc1cccc(NC(=O)N2CCC[C@H]2c2cccn2C)c1C 253417800 DVUOHJQLMHKFII-INIZCTEOSA-N 329.469 4.424 0 50 EIAA CCCN(CC)c1ccc(C(=O)N2CCCCC[C@H]2C[C@H](C)O)cc1 253418008 FOSSMBINKPXWEE-PXNSSMCTSA-N 346.515 4.079 0 50 EIAA CC(C)c1noc([C@H](N[C@@H]2CCC[C@@H](C3CC3)C2)C2CCOCC2)n1 328635719 UXQZEDMNBRUBNE-KZNAEPCWSA-N 347.503 4.219 0 50 EIAA CC(F)(F)c1cccc(NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)c1 666826989 IJKBNCHWSMZDHS-YESZJQIVSA-N 346.352 4.397 0 50 EIAA CC(C)C(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 849188213 VQVQFJPQKQEJHE-CQSZACIVSA-N 327.211 4.130 0 50 EIAA Cc1nc(-c2cccc(NC(=O)C[C@H]3CCCC3(F)F)c2)[nH]c1C 930548446 CVEKKRBFXUZDLE-CQSZACIVSA-N 333.382 4.458 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)c2ccc(-c3cnco3)cc2)c(C)s1 952969720 GQXPBFUFJISBLK-NSHDSACASA-N 341.436 4.248 0 50 EIAA O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@]2(CCC[C@H]2O)C1 1704302465 LYEAMYSXQVROKZ-GDBMZVCRSA-N 343.254 4.152 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2cc3ccccc3cn2)C[C@H](C(C)C)O1 1857719015 AXTMLHPKQQCBGT-UYAOXDASSA-N 340.467 4.291 0 50 EIAA O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1ccco1 168824 VDIQPKLHPBSWIA-UHFFFAOYSA-N 340.766 4.438 0 50 EIAA C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=S)N(c1nc3ccccc3s1)N2 197215 XYQIHLDLNHFALM-DIFFPNOSSA-N 346.525 4.038 0 50 EIAA Cc1nnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 291593 GCDOUWBECPFKDT-OAHLLOKOSA-N 341.461 4.319 0 50 EIAA CCOC(=O)c1ccc(OC(=O)Nc2c(C)cccc2Cl)cc1 399692 DSQPKSIMKOYNNO-UHFFFAOYSA-N 333.771 4.436 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 438495 UNJRFYXXMVLQNN-HNNXBMFYSA-N 349.814 4.153 0 50 EIAA Cc1ccc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)cc1 608999 HGGZDFCATXHQFH-UHFFFAOYSA-N 349.459 4.491 0 50 EIAA FC(F)(F)c1nc(N2CCc3ccccc3C2)c2ccccc2n1 1292842 PZYXTRRYQBSTTP-UHFFFAOYSA-N 329.325 4.211 0 50 EIAA Cc1cc(C)cc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)c1 2881772 HZHPHEIOAWVJFO-OAHLLOKOSA-N 344.414 4.444 0 50 EIAA O=C(Nc1ccccc1)OCCOc1cccc(Br)c1 2893372 CWBBSJUKSAPDNT-UHFFFAOYSA-N 336.185 4.077 0 50 EIAA O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(F)c1 4868804 BVJDJHMJZUAWQL-UHFFFAOYSA-N 340.379 4.392 0 50 EIAA O=C(C1CCN(Cc2cccc3ccccc23)CC1)N1CCCCC1 5904990 QHNSHMBDOMVAKU-UHFFFAOYSA-N 336.479 4.064 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(C)c1 7720176 KBUXBVLXRRJRQG-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA Cc1nn2c(N(C)C)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799264 PGFCHTFKQHTVFQ-UHFFFAOYSA-N 326.419 4.207 0 50 EIAA O=C1C[C@@H](c2ccncc2F)c2ccc(Oc3ccccc3)cc2N1 65432949 RFCNFQMEGVUWGB-KRWDZBQOSA-N 334.350 4.487 0 50 EIAA c1ccc2c(N3CCC[C@H](c4nccn4CC4CC4)C3)ccnc2c1 82099863 MSYSQNVXCJKLRE-KRWDZBQOSA-N 332.451 4.225 0 50 EIAA CC(=O)Nc1cccc(C(=O)N(C)c2cccc3ccccc23)c1C 188372970 DIDBUGOGXJDPPM-UHFFFAOYSA-N 332.403 4.383 0 50 EIAA Cc1nc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC3)cs1 188383740 SAFXUXPBSSWPBG-QGZVFWFLSA-N 327.453 4.309 0 50 EIAA Cc1cc(S(=O)(=O)Oc2cccc3cccnc23)c(C)cc1Cl 231415568 KZDWHAUQSQQNSK-UHFFFAOYSA-N 347.823 4.273 0 50 EIAA CCc1c(C(=O)Nc2cc(Cl)ccc2C)cnn1-c1ccccn1 252491910 LZELOFVPVJUNNJ-UHFFFAOYSA-N 340.814 4.044 0 50 EIAA CC(C)c1nn(C)cc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 280867468 YNPDLLVQYSSZLI-QGZVFWFLSA-N 341.459 4.088 0 50 EIAA CCn1cc(-c2cccc(C(=O)NCCCCc3ccccc3)c2)cn1 299777455 CDYZCBOMVNIIMD-UHFFFAOYSA-N 347.462 4.323 0 50 EIAA O=C(Cc1noc2ccc(F)cc12)N[C@@H]1CCCCC12CCCC2 333318328 MPCSMXLFGRSTOD-QGZVFWFLSA-N 330.403 4.129 0 50 EIAA COc1cc(C(=O)N2CCC[C@H]2C2CC2)ccc1OC1CCCC1 370757060 GQDIOJPNHMZZQV-KRWDZBQOSA-N 329.440 4.031 0 50 EIAA Cn1ccc([C@H](NCc2ccc3occc3c2)c2ccc(F)cc2)n1 375746167 XEXGTZIRINLNHY-HXUWFJFHSA-N 335.382 4.185 0 50 EIAA COc1c(Cl)cccc1-c1noc(-c2cnc(C3CC3)s2)n1 1334763909 CPRCQZCVFDKWEL-UHFFFAOYSA-N 333.800 4.400 0 50 EIAA Cc1cc2cccc(C(=O)N(C)Cc3nc4ccc(F)cc4[nH]3)c2o1 1506399070 JPQHBICOANAJCM-UHFFFAOYSA-N 337.354 4.029 0 50 EIAA CCCC[C@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@@H](C2CC2)O1 1616069193 QDYVRIMKQQVJPR-BBRMVZONSA-N 339.838 4.289 0 50 EIAA COc1cc(S(=O)(=O)Oc2cccc3ccccc23)c(C)cc1C 1776004164 LZNBNFVBQAEXHZ-UHFFFAOYSA-N 342.416 4.233 0 50 EIAA Fc1cc(Br)ccc1CCNc1ccnc2cnccc12 2325855196 LZRBYYDZJNFNDI-UHFFFAOYSA-N 346.203 4.186 0 50 EIAA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1Cl 309433 BUWFOZQVDYJGFX-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA O=C(NC(=S)Nc1ccccc1)C(c1ccccc1)c1ccccc1 342024 YUNNQDOYBQWFGX-UHFFFAOYSA-N 346.455 4.332 0 50 EIAA Clc1ccc(-c2nnc3ccc(NCc4ccccc4)nn23)cc1 453152 HBIVDWYZYYYJJE-UHFFFAOYSA-N 335.798 4.057 0 50 EIAA COc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1OC 453434 QRQYAMDZSZDYDX-NBVRZTHBSA-N 349.386 4.476 0 50 EIAA Cc1cc(C)nc(NC(=S)Nc2ccc(Cl)c(Cl)c2)n1 611901 ROJYXVKKOQRVIH-UHFFFAOYSA-N 327.240 4.209 0 50 EIAA O=C(Cc1ccccc1)Nc1nnc(SCc2ccccc2)s1 620664 KMPMZRVPHORDSM-UHFFFAOYSA-N 341.461 4.012 0 50 EIAA COc1ccc(-c2nnc(-c3ccccc3)n2-c2cccnc2)cc1 1071927 MMTSLAIAJUDIRZ-UHFFFAOYSA-N 328.375 4.005 0 50 EIAA COc1ccc(CC[C@H](C)NCCCc2ccccc2)c(OC)c1 2132860 UKKOHDVNWVUEIG-KRWDZBQOSA-N 327.468 4.247 0 50 EIAA biogenic CCCCNC(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1 2631251 DJLBCKBRHQXUQV-UHFFFAOYSA-N 325.412 4.169 0 50 EIAA COc1ccc(NC(=S)NCCCCc2ccccc2)cc1OC 2854962 XJROCGILPBIZCA-UHFFFAOYSA-N 344.480 4.013 0 50 EIAA CCN(CC)C/C=C/c1c(F)c(F)c(NCCCOC)c(F)c1F 2863068 IHJCOKYJJIXGSB-SOFGYWHQSA-N 348.384 4.046 0 50 EIAA O=C(O)Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 5763392 INPDBCCFUWLATH-UHFFFAOYSA-N 331.677 4.173 0 50 EIAA CC(C)c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 6701944 MHKZFVFUSCLIDK-UHFFFAOYSA-N 337.448 4.432 0 50 EIAA CC(=O)c1cccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c1 14951107 FFDIOOXVYXYKMI-HNNXBMFYSA-N 333.435 4.234 0 50 EIAA Cc1nn(CCNC(=O)Nc2cccc3ccccc23)c(C)c1Cl 20606782 AFBNUFYQWABMKV-UHFFFAOYSA-N 342.830 4.128 0 50 EIAA O=C(Nc1nnc(C2CCC2)s1)N1CCCC[C@H]1c1nccs1 23251111 HKDDZFAPTHGCQK-NSHDSACASA-N 349.485 4.021 0 50 EIAA CCC/C=C/CN1CCC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 67983370 LKFHWTGYFOMEGV-FAZYEBOESA-N 332.532 4.238 0 50 EIAA c1ccc(C2(c3ccccc3)C[C@H]2CN2CC(c3ccccn3)C2)cc1 72152883 UXKKMGNGWMFCSX-QFIPXVFZSA-N 340.470 4.487 0 50 EIAA Cc1cccc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)c1C 72418285 WRSBIXGASACKPX-UHFFFAOYSA-N 339.479 4.279 0 50 EIAA CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72430659 ZCUBVQYYOCOVAS-LJQANCHMSA-N 340.467 4.008 0 50 EIAA CC(C)n1ccnc1C1CCN(Cc2cc(F)c(F)c(F)c2)CC1 92028856 APMXPLKCPDXCBP-UHFFFAOYSA-N 337.389 4.261 0 50 EIAA Cc1nnc(-c2cccc(-c3cccc(C(=O)N4CCCCC4)c3)c2)o1 96132694 IKHAJTCUSZHKAO-UHFFFAOYSA-N 347.418 4.338 0 50 EIAA Cc1nc(-c2cccs2)sc1C(=O)Nc1nccn1CC(C)C 150088890 ODURKSMECDMSJD-UHFFFAOYSA-N 346.481 4.285 0 50 EIAA O=C(c1cc(-c2ccccc2)no1)N(c1ccccn1)C1CCCC1 154463258 DOSPOQHAHUIKIT-UHFFFAOYSA-N 333.391 4.326 0 50 EIAA CC(C)c1csc([C@H]2CCCN(C(=O)Nc3ccncc3F)C2)n1 184183790 QXWLJCYDUOZDQO-LBPRGKRZSA-N 348.447 4.212 0 50 EIAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)N(C)Cc1cscn1 195177184 UPWHYMMBABGKSI-CQSZACIVSA-N 331.485 4.041 0 50 EIAA CN(Cc1cc(Cl)ccc1F)C(=O)[C@H]1CCC(=O)c2ccccc21 225462765 FBMHIFVLVYEODB-INIZCTEOSA-N 345.801 4.198 0 50 EIAA c1ccc(Cn2c[n+](CCCOc3ccccc3)c3ccccc32)cc1 252499808 SEXNHSDSNFBNJE-UHFFFAOYSA-N 343.450 4.446 0 50 EIAA Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2c(C)nn(C)c2C)c1 271586109 SEEIOUVZUWZGPN-QGZVFWFLSA-N 326.444 4.023 0 50 EIAA CC[C@H]1C[C@H](CC(=O)NCc2nc(-c3ccccc3)cs2)CCO1 272722124 AGLAZOCELLDHRM-ZBFHGGJFSA-N 344.480 4.022 0 50 EIAA CSCc1cc(F)ccc1CNc1nc2ccccc2cc1CO 301577272 RGHFIKGNYOQXSX-UHFFFAOYSA-N 342.439 4.341 0 50 EIAA c1ccc(-c2cncc(NCc3ccccc3Cn3cccn3)n2)cc1 346259330 VYVCXSWFWHQSJL-UHFFFAOYSA-N 341.418 4.001 0 50 EIAA COc1ccc(CNCc2cccc(OC(C)C)c2)c(C)c1OC 808379032 DOQKMDRREFKRNX-UHFFFAOYSA-N 329.440 4.089 0 50 EIAA Cc1nccn1Cc1ccccc1NC(=O)c1ccc2scnc2c1 828168850 RUMLGQIGPPUKCS-UHFFFAOYSA-N 348.431 4.102 0 50 EIAA Cc1cccc(N2CCC(NCc3cc(-c4ccccc4)no3)CC2)c1 952975190 SHLWQUXLURZMJP-UHFFFAOYSA-N 347.462 4.409 0 50 EIAA Cc1csc2c(-c3cc(OC(F)(F)F)ccc3O)ncnc12 1244455421 HKVNOCRLEJYJSY-UHFFFAOYSA-N 326.299 4.271 0 50 EIAA c1ccc(Cc2nc(CN[C@@H]3CCN(c4ccccc4)C3)cs2)cc1 1506398764 XCXLWOHBXKMMFP-GOSISDBHSA-N 349.503 4.102 0 50 EIAA Cc1cnc2ccc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)cn12 2325860812 VUZGRNQCLWBARD-GFCCVEGCSA-N 347.340 4.153 0 50 EIAA C[C@H](NC1=NCCN1Cc1ccccc1)c1ccc2ccccc2c1 2325864291 LNMCYSUOQFCVOM-KRWDZBQOSA-N 329.447 4.362 0 50 EIAA Cc1ccnc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 170871 NAYPSEJFUQLBKL-UHFFFAOYSA-N 325.195 4.023 0 50 EIAA Cc1ccc2nc(-n3nc4ccccc4n3)nc(-c3ccccc3)c2c1 177079 MBNKJUMMHQHMJS-UHFFFAOYSA-N 337.386 4.339 0 50 EIAA Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3)n2)cc1 243198 ZKEYMAOJVMETCU-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1Br 453813 XNHZDWLFUCUSDO-ZDUSSCGKSA-N 332.241 4.200 0 50 EIAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1 467856 MMJLSLYFNGNAHV-UHFFFAOYSA-N 334.778 4.470 0 50 EIAA CCCCN(CCCC)C[C@H](O)COc1cccc2ccccc12 2991744 ZJCAHBZZKGAAAC-IBGZPJMESA-N 329.484 4.482 0 50 EIAA CN(Cc1cn2c3ccccc3n(C)c2n1)C12CC3CC(CC(C3)C1)C2 3833059 ZGDIACHVCVKQRB-UHFFFAOYSA-N 348.494 4.227 0 50 EIAA CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(OC)cc1 5065715 NHMDTSDPFJCFPR-UHFFFAOYSA-N 343.427 4.405 0 50 EIAA COc1cc(OC)c(NC(=O)c2ccc(F)cc2Cl)cc1Cl 6698262 WSXDOXBXBDWEIK-UHFFFAOYSA-N 344.169 4.402 0 50 EIAA CC(C)n1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cn1 12002221 FCMRMNOLZJARED-QGZVFWFLSA-N 345.874 4.212 0 50 EIAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 12308995 SMMCKWUMPHZVKZ-FQEVSTJZSA-N 336.479 4.194 0 50 EIAA CCCSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 16275987 IPDPOOQDVKUXID-UHFFFAOYSA-N 340.452 4.230 0 50 EIAA O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(Cl)cc1 16400259 LGWKVKZWYAJEAB-ZROIWOOFSA-N 331.780 4.287 0 50 EIAA CCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccccc2Cl)o1 53432682 MWPGMFILSVRZRO-CYBMUJFWSA-N 333.815 4.241 0 50 EIAA CCN(C)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2c(C)cccc12 63855852 ZTJGDOLKVJHAFP-UHFFFAOYSA-N 336.439 4.080 0 50 EIAA COc1cc(C)c(-c2nc(Cn3cc(C)nc3C)c(C)o2)cc1C 67946851 CETBRYXEQDSEJQ-UHFFFAOYSA-N 325.412 4.137 0 50 EIAA O=C(Nc1cccc(-c2cccc(F)c2)c1)N1CCC2(CCO2)CC1 96136469 QSKYNIIHQTVDEL-UHFFFAOYSA-N 340.398 4.280 0 50 EIAA CSc1cccc(N(C(=O)c2ccsc2)C2CCN(C)CC2)c1 112247756 ZZMOOYZQWZMMOL-UHFFFAOYSA-N 346.521 4.211 0 50 EIAA CCCn1cc(C(=O)N2CCCC[C@H]2CCc2cccs2)c(C)n1 952989261 IGHVIURVJNCEPY-INIZCTEOSA-N 345.512 4.291 0 50 EIAA Fc1ccc([C@@H]2CCC[C@H]2Nc2cnn(-c3ncccc3F)c2)cc1 2325827600 KXASDOQQZQRNFR-FUHWJXTLSA-N 340.377 4.294 0 50 EIAA Cc1c(OC(=O)C2CCCCC2)ccc2c3c(c(=O)oc12)CCC3 91070 PFWWQFMGYHQPST-UHFFFAOYSA-N 326.392 4.076 0 50 EIAA CC(C)CC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 342053 AVFQIKDHTFMQJF-UHFFFAOYSA-N 338.782 4.218 0 50 EIAA COc1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2C)cc1OC 1055850 QYLVZKYJKCXRDU-CYBMUJFWSA-N 339.391 4.249 0 50 EIAA COc1cccc(-c2csc(NC(=O)c3ccccc3F)n2)c1 2550176 XLOOVJCGWNBEEN-UHFFFAOYSA-N 328.368 4.210 0 50 EIAA C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)[C@H]3CC4(CC[C@]3(C)[C@@H]1CC2)OCCO4 5276537 IDOHVJIGNBUAFN-BDBHOTGSSA-N 334.500 4.133 0 50 EIAA CC[C@H](C)CCCOC(=O)[C@](OC)(c1ccccc1)C(F)(F)F 43198773 CVDVLBUUDPPNJU-XJKSGUPXSA-N 332.362 4.460 0 50 EIAA O[C@@]1(c2ccccc2)CCN(Cc2cccs2)[C@H]2CCCC[C@@H]21 72477892 XCVJEQVPBWQJQD-SLFFLAALSA-N 327.493 4.400 0 50 EIAA Cc1cccc([C@@H]2CCCN(C(=O)c3ccccc3-c3ncc[nH]3)C2)c1 77503249 WGZBVHJFGZTREK-GOSISDBHSA-N 345.446 4.405 0 50 EIAA Cc1nccn1C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 82162055 ACPKHTJNIGSXHA-KRWDZBQOSA-N 339.483 4.041 0 50 EIAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 95366731 HINGOXWFQDAIGO-ZDUSSCGKSA-N 348.397 4.154 0 50 EIAA O=C(CC[C@@H]1CCCCO1)Nc1c(-c2ccccc2)nc2ccccn12 110176897 XAPDQDGEWVFFIM-KRWDZBQOSA-N 349.434 4.289 0 50 EIAA Cc1scc(C(=O)N[C@H](c2ccccc2)c2nccs2)c1C 180047623 ORYCTGZKMNKLGY-OAHLLOKOSA-N 328.462 4.341 0 50 EIAA COc1cc(OC)c(NC(=O)c2sccc2Cl)cc1Cl 225491334 LCAGVCUMLUKRKS-UHFFFAOYSA-N 332.208 4.324 0 50 EIAA C[C@H](NC(=O)c1cnc(O)c2ccccc12)c1cc2ccccc2o1 241466158 NVEXWNZPQJFUCP-LBPRGKRZSA-N 332.359 4.178 0 50 EIAA CC(C)(C)OC(=O)Nc1ccccc1NCc1cccc2c1OCO2 252489326 JOFUKEYPAQNXSC-UHFFFAOYSA-N 342.395 4.374 0 50 EIAA O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1cccnc1 253407886 KGRYSDZAGXODCQ-KRWDZBQOSA-N 325.799 4.155 0 50 EIAA Cc1cccc(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)c1ccnc(O)c1 664961265 HLQIEEGZOANFGP-WBVHZDCISA-N 339.439 4.012 0 50 EIAA COc1cccc(CN(C(=O)[C@@H]2CC2(C)C)C2CCCC2)c1OC 824527089 ZATQGWOHLIQYHA-INIZCTEOSA-N 331.456 4.021 0 50 EIAA O=C(NCCC1CCC(F)(F)CC1)c1cccc(-c2cnco2)c1 890056779 HZLYLHRUOYWQJU-UHFFFAOYSA-N 334.366 4.287 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)Cc1noc(-c2ccco2)n1 1506404630 ZBPFPIDPYXZJPG-OAHLLOKOSA-N 326.400 4.088 0 50 EIAA Cc1nc(O)c2cc(NCc3cc(F)ccc3OC(C)C)ccc2n1 2325824858 TXQMMJSXGQITEN-UHFFFAOYSA-N 341.386 4.182 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(C)cc2Br)c(C)c1 121437 JIHQZYMJYNDXDZ-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CC(C)(C)NCCn1c(-c2ccccc2)cn2c3ccccc3nc12 302062 JFDMMYNNKRNPHT-UHFFFAOYSA-N 332.451 4.344 0 50 EIAA O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1 411436 DJOMZBVPTLWCAP-UHFFFAOYSA-N 345.811 4.121 0 50 EIAA COc1ccc(Cl)cc1NC(=O)COc1ccc(Cl)cc1 3127058 FCNRGZUFBNIBLM-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA O=c1c2ccccc2nc(/C=C/c2ccco2)n1Cc1ccccc1 3900155 XUJVCGGPPAVHEV-OUKQBFOZSA-N 328.371 4.208 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)OC2=O 4185590 ZGDIQHPWMXXVQA-CVEARBPZSA-N 342.222 4.054 0 50 EIAA COc1cc(CNCc2ccco2)ccc1OCc1cccc(C)c1 5019492 IXSPJQKXKSXPKC-UHFFFAOYSA-N 337.419 4.465 0 50 EIAA Cc1cc(=O)oc2cc(NC(=S)N3[C@H](C)CCC[C@H]3C)ccc12 6399708 CEIOOOQFRWKQHS-CHWSQXEVSA-N 330.453 4.061 0 50 EIAA CC[C@@H](NC(=O)c1ccnn1C(F)F)C12CC3CC(CC(C3)C1)C2 8326971 CCERQKNGSGWUMJ-CHGJFTSJSA-N 337.414 4.003 0 50 EIAA CCn1c(C)c(C(=O)CSc2nnc(C)s2)c2ccccc21 10480541 ODLWJOHCWQVWGY-UHFFFAOYSA-N 331.466 4.105 0 50 EIAA Cc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1 16577707 LJKVVTFYEYESMH-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA CCSc1nnc(NC(=O)c2csc3c2CC[C@@H](C)C3)s1 17016976 VNPMBHGRMJRUQR-MRVPVSSYSA-N 339.511 4.089 0 50 EIAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2c(C)noc2C)cc1 33270514 CIKLWXJMLAVTRJ-INIZCTEOSA-N 329.400 4.059 0 50 EIAA Cc1nn2c(ncc3c(=O)n(CCC(C)C)ccc32)c1-c1ccccc1 40387974 SSQPLFFBLNXREI-UHFFFAOYSA-N 346.434 4.066 0 50 EIAA CCOc1ccc(Br)cc1CNCc1cccs1 55561888 ASWGUBUKSKBKQZ-UHFFFAOYSA-N 326.259 4.199 0 50 EIAA CN(Cc1cccc2cnccc12)Cc1ccnn1-c1ccccc1 72458456 HJZFUMKMJZNPSM-UHFFFAOYSA-N 328.419 4.053 0 50 EIAA Cc1nc2c(s1)[C@H](NC1CCN(C3CCCCC3)CC1)CCC2 157545127 SRFHRMDWZNABLP-GOSISDBHSA-N 333.545 4.216 0 50 EIAA Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@H](C(F)(F)F)C1 173783071 ZLMCOBFXFKNILP-ZDUSSCGKSA-N 338.329 4.065 0 50 EIAA Cc1cc(C)c(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)o1 176224410 RBZXCBDYMCGMIY-UHFFFAOYSA-N 349.390 4.104 0 50 EIAA N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 178809910 HFTYITPKSVIFLJ-ZWKOTPCHSA-N 328.843 4.094 0 50 EIAA Fc1cccc(F)c1-c1nc(CN(Cc2ccccn2)C2CC2)co1 180861582 NVNDTWWPIDWRQL-UHFFFAOYSA-N 341.361 4.179 0 50 EIAA Cc1ccc(-n2cccn2)cc1NC(=O)C[C@H]1CCOc2ccccc21 190443719 WEHROQOIYILLIG-MRXNPFEDSA-N 347.418 4.076 0 50 EIAA C[C@H](CCN(C)Cc1nc(-c2ccc(F)cc2)cs1)N1CCCC1 219408748 OOMOOYMHEPGZGX-OAHLLOKOSA-N 347.503 4.255 0 50 EIAA COc1ccc(CN2CCC[C@H]2c2ccccc2C)cc1C(=O)O 230588451 YOJOKYAMRIMASD-SFHVURJKSA-N 325.408 4.039 0 50 EIAA C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1ccc(-n2ccnn2)cc1 657933278 QILVBNFPFCEJQT-STQMWFEESA-N 343.381 4.012 0 50 EIAA CSc1ncc(CN2CCCC[C@@H]2CCc2cccs2)cn1 952968627 FNGYAFNPJRYPHF-OAHLLOKOSA-N 333.526 4.247 0 50 EIAA CCOc1ccc(-c2nnc(-c3ccccc3OC)o2)cc1OCC 1254982602 OAMADYLKCIUGTL-UHFFFAOYSA-N 340.379 4.210 0 50 EIAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1cccc2cc[nH]c12 1857680204 DXJSWTBLEWDJTK-XJUOHMSHSA-N 346.474 4.126 0 50 EIAA CN1CCC[C@@H]1CCn1ccnc1-c1nc(-c2ccccc2)cs1 1857702726 AXYHRBCEMQKJIV-MRXNPFEDSA-N 338.480 4.158 0 50 EIAA Cc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1C 98241 FYPJJCBXJXVLRJ-UHFFFAOYSA-N 334.371 4.118 0 50 EIAA CCc1ccc(NC(=O)COc2ccccc2Br)cc1 141190 JKEVLVAYFXWMLK-UHFFFAOYSA-N 334.213 4.029 0 50 EIAA COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2ccccc12 452436 GUCSVCAAZUJRLD-UHFFFAOYSA-N 347.823 4.303 0 50 EIAA Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c1 468437 XPHNOADKFMZYTH-UHFFFAOYSA-N 326.377 4.154 0 50 EIAA Cc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1 530114 ZDMGJODJCGTNSY-UHFFFAOYSA-N 326.812 4.482 0 50 EIAA Cc1ccc(N2C[C@@H](C(=O)Oc3cccc4ccccc34)CC2=O)cc1 993450 YHPRCNIJTJYYLY-KRWDZBQOSA-N 345.398 4.107 0 50 EIAA Cc1cc(N2CCCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 2336733 JAIZULIFYQGZMI-UHFFFAOYSA-N 326.831 4.267 0 50 EIAA CC(C)(C)c1ccccc1OCCOCCNCCc1ccccc1 2825476 UEUPCASNIWPNFM-UHFFFAOYSA-N 341.495 4.212 0 50 EIAA O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCO2 3421019 WTHBFYGKAPBHAB-UHFFFAOYSA-N 345.398 4.301 0 50 EIAA CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 3443728 FCYFVAXLPPJBDU-ZDUSSCGKSA-N 331.799 4.257 0 50 EIAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1O 5227775 YATPIFKIZZKJFX-QZBQPBHFSA-N 334.500 4.322 0 50 EIAA C[C@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 5912038 FVGFBPCNUYQRDN-PGRDOPGGSA-N 347.458 4.444 0 50 EIAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)C 11934255 WYLNUDWCHJHAKW-UHFFFAOYSA-N 327.378 4.188 0 50 EIAA CSc1cccc(CN2CCC(CO)(Cc3ccccc3)CC2)c1 12197790 YNKIFVWTGGGPMN-UHFFFAOYSA-N 341.520 4.226 0 50 EIAA Cc1ccc(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1C 12449123 ULQSSQZQRAOGPI-OAHLLOKOSA-N 328.378 4.049 0 50 EIAA CCN1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 19536760 OEINIJGVIZMVDW-UHFFFAOYSA-N 332.532 4.125 0 50 EIAA Cc1cc(-c2cccc(-c3ccn(C[C@H]4CCCO4)n3)c2)cc(C)n1 20541671 LABJYCVYHDGALI-HXUWFJFHSA-N 333.435 4.408 0 50 EIAA CN(Cc1ccoc1)C(=O)c1cccc(NCc2cccs2)c1 55169156 ZDYGQPQUTLLBMT-UHFFFAOYSA-N 326.421 4.225 0 50 EIAA COc1ccc(-c2nc(Cn3cc(C)nc3C)c(C)o2)c(C)c1C 67921073 SBJUUUOBLXCMKJ-UHFFFAOYSA-N 325.412 4.137 0 50 EIAA CC[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(C)cc1C 95391022 MDLMIELPEZPAPH-LJQANCHMSA-N 346.434 4.037 0 50 EIAA Cc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 101128644 LQSVBCTXPGYEEC-ZDUSSCGKSA-N 349.217 4.046 0 50 EIAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)C1 101514135 MHXKZCNHVYKVPQ-MYDCNYLUSA-N 331.500 4.199 0 50 EIAA Clc1ccc(CN[C@H]2CCO[C@]3(CCSC3)C2)c2ncccc12 151345829 RPNYSFAYEIATJC-KBXCAEBGSA-N 348.899 4.033 0 50 EIAA O=C(Nc1ccc(Cl)cc1-n1cccn1)c1cc(F)cc(F)c1 170607431 ZNFFLJYGHOJHNH-UHFFFAOYSA-N 333.725 4.056 0 50 EIAA C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(F)c(O)c(F)c2)C2CC2)o1 170651475 PUDSOADDYNRFPC-IINYFYTJSA-N 347.361 4.192 0 50 EIAA CC(C)(NCc1nccn1C(F)F)c1ccccc1Br 179329066 IPYZYOBKNUKFSJ-UHFFFAOYSA-N 344.203 4.066 0 50 EIAA CN(C)Cc1ccc(CN(C)Cc2ccc([C@H]3CCCCO3)o2)cc1 215032110 HCJSFUZIMOMQKN-HXUWFJFHSA-N 342.483 4.215 0 50 EIAA CCOC(=O)c1c(CN(C)[C@@H]2CCC[C@H]2SC)oc2ccccc12 252669300 HCEUSORQMVIKQK-RHSMWYFYSA-N 347.480 4.325 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 253500722 NCMZQTLCXHGLOK-JNCUIMROSA-N 330.468 4.450 0 50 EIAA C[C@]12CCC[C@@H]1[C@@H]1C(=O)C[C@H]3CC4(CC[C@@]3(C)[C@H]1CC2)OCCO4 257345868 LXOGEYSXRYPSCR-LWFMFQAFSA-N 332.484 4.341 0 50 EIAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccccc1Cl 257365618 ZEDIJIINKPYJJO-KPAZRMRSSA-N 347.890 4.119 0 50 EIAA CCc1onc(C)c1NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282249113 OHEMFSMJFZOGMN-IAGOWNOFSA-N 337.423 4.398 0 50 EIAA COCC[C@H](NCc1c(C)noc1C)c1ccc(Cl)c(Cl)c1 284348793 CRUJPHMDZODUHD-INIZCTEOSA-N 343.254 4.466 0 50 EIAA CC(C)OCc1cccc(NC(=O)N[C@H]2CCCC23CCOCC3)c1 374389341 MSOBERMRMKWVMN-SFHVURJKSA-N 346.471 4.082 0 50 EIAA C[C@@H]1CCN(C(=O)c2coc(Br)c2)[C@@H]2CCCC[C@@H]12 380771796 CRJYPDURPPJCPH-KGYLQXTDSA-N 326.234 4.083 0 50 EIAA CC(C)n1ccnc1-c1csc(C[C@H](C)n2cc(Cl)cn2)n1 408523364 JCMHTMVOWNIRTF-NSHDSACASA-N 335.864 4.241 0 50 EIAA CCC[C@]1(CO)CCCN(C(=O)c2cccc(-c3cccs3)c2)C1 426388400 LFXHXCOZMRPGKN-FQEVSTJZSA-N 343.492 4.430 0 50 EIAA N=c1cc[nH]cc1-c1cccc(C(=O)N2CCC3(CCCCCC3)C2)c1 426396460 MQQGUOHWCFTVIY-UHFFFAOYSA-N 349.478 4.348 0 50 EIAA Cc1cc(C)n(CCN(C)C(=O)c2ccc(-c3ccsc3)cc2)n1 426634163 JQPPCWFZWCDANW-UHFFFAOYSA-N 339.464 4.001 0 50 EIAA Cc1cc(=N)[nH]c(C)c1-c1ccccc1C(=O)N(C(C)C)C(C)C 534663273 QAJGPZKBLLVZAC-UHFFFAOYSA-N 325.456 4.037 0 50 EIAA Oc1cccc(CNC[C@@H](OC2CCCC2)C(F)(F)F)c1Cl 657587618 FTGULEZIYIUKMK-CYBMUJFWSA-N 337.769 4.025 0 50 EIAA Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCC[C@@H](C)C2)no1 822416761 DOHIWBYIKJRLKR-LLVKDONJSA-N 333.819 4.125 0 50 EIAA Cc1ccsc1-c1nsc(NC(=O)C[C@@H]2CCCC2(F)F)n1 897990756 CSNOKTMORXSHGC-VIFPVBQESA-N 343.424 4.339 0 50 EIAA Cc1ccc(-c2ccc(OCc3ccc(-c4nn[nH]n4)cc3)cc2)cc1 1875365057 YHMHIOZTUPSPFW-UHFFFAOYSA-N 342.402 4.421 0 50 EIAA COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@@H](C)C2 35600 BEUPHCIEQJCRAZ-SNVBAGLBSA-N 347.411 4.051 0 50 EIAA CCOC(=O)c1c(C)oc2cc3c(C(=O)OCC)c(C)oc3cc12 187787 CFKGXXNWAGBBFU-UHFFFAOYSA-N 330.336 4.149 0 50 EIAA Cc1nn(C(=O)c2cccnc2)c(C)c1Sc1ccc(Cl)cc1 189875 NQGMXAIUKQTWNP-UHFFFAOYSA-N 343.839 4.388 0 50 EIAA O=c1ccc2ccc(OCc3ccccc3Br)cc2o1 307216 LWNSQWOTVKHEHT-UHFFFAOYSA-N 331.165 4.135 0 50 EIAA Cc1cc(C(=O)OC(C)C)c(NC(=O)CSc2ccccc2)s1 461350 WYRGQVMRXIGGEF-UHFFFAOYSA-N 349.477 4.353 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)CC2=O 1432750 GYENTNGSTLNTHQ-SJORKVTESA-N 339.357 4.429 0 50 EIAA CCCc1cc(C(=O)OC)c(NC(=O)c2csc(CC)c2)s1 2784814 LIVRCYMBAPOIJI-UHFFFAOYSA-N 337.466 4.363 0 50 EIAA CC(=O)O[C@@H](C)OC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 3872601 ALIVXCSEERJYHU-TZMCWYRMSA-N 330.355 4.049 0 50 EIAA in-man COc1cccc(CCC(=O)Nc2ccc(F)cc2F)c1Cl 4542833 ZLSVQYBKUFIGBX-UHFFFAOYSA-N 325.742 4.198 0 50 EIAA COc1ccc(OC)c([C@H](C)NC(=S)Nc2cc(C)cc(C)c2)c1 6572412 DMZHORHDVCZPKT-AWEZNQCLSA-N 344.480 4.368 0 50 EIAA Cc1nc(CC(=O)N[C@H](c2cccs2)c2ccccc2C)cs1 72469279 APDXTQACPKZDGL-SFHVURJKSA-N 342.489 4.270 0 50 EIAA O=C(Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 72481346 IICOZBZBHUCURZ-QGZVFWFLSA-N 343.854 4.069 0 50 EIAA O=C(CCc1cc(Cl)no1)N1CCCC[C@@H]1c1ccc(F)cc1 77287279 DLTXIMQBIFAQKW-OAHLLOKOSA-N 336.794 4.154 0 50 EIAA CCOc1cc(C)c(CN2CCCC[C@H]2CC(=O)O)cc1C(C)C 97660450 ZUFZQIHPMPGWJC-KRWDZBQOSA-N 333.472 4.346 0 50 EIAA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCCC2(CCCCCC2)C1 129668434 OAVFWWURBGFQHZ-ZWKOTPCHSA-N 334.504 4.090 0 50 EIAA c1cc(OCC2CC2)ccc1OCc1csc([C@H]2CCCO2)n1 153187173 DPUHIIRQUZRATL-QGZVFWFLSA-N 331.437 4.362 0 50 EIAA O=C(N[C@@H]1CCCc2sccc21)c1c[nH]nc1-c1ccsc1 189153316 BTBMXUNMXLFYMQ-CYBMUJFWSA-N 329.450 4.007 0 50 EIAA Cc1cc(C(=O)Nc2ccccc2C(C)C)cc(C)c1OCC(=O)O 236797758 CNUWZZWDLZYKHC-UHFFFAOYSA-N 341.407 4.143 0 50 EIAA Cc1ccc([C@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)cc1C 252444158 GPKDYWJVQIPDGQ-JKSUJKDBSA-N 342.508 4.161 0 50 EIAA C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 252693160 BFKPXLDFMBGVDL-AFNVMLQPSA-N 342.479 4.162 0 50 EIAA biogenic CN[C@@H](C)Cc1noc(-c2cc3sc4ccccc4c3s2)n1 261895740 XZOJEYSDALDNMZ-VIFPVBQESA-N 329.450 4.316 0 50 EIAA Cc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(C)cc2)OC3)cc1 263617521 OEWWWJDBEPJWHU-FQEVSTJZSA-N 347.418 4.024 0 50 EIAA CC1(C)C[C@]1(CNC(=O)c1ccc(-c2cnco2)cc1)c1ccccc1 670441973 RUQYZXKYWWAXJE-QFIPXVFZSA-N 346.430 4.439 0 50 EIAA O=C1[C@@H](Nc2ccc(N3CCCCC3)cc2)CCCN1c1ccccc1 734506648 AOYIGNOAHBJSEV-NRFANRHFSA-N 349.478 4.284 0 50 EIAA O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(-c2ccncc2)nc2ccccc12 843738628 FJEAKJNXNOFWJW-BRWVUGGUSA-N 343.430 4.215 0 50 EIAA C[C@H](c1ccccn1)N(C)C1CCN(c2cccc(Cl)c2)CC1 952970691 FDFVIWSPNJQZHY-OAHLLOKOSA-N 329.875 4.397 0 50 EIAA CCc1nccc(CNCC[C@H](c2ccc(F)cc2)c2ccco2)n1 952974780 FQDAKNLRAKWZSG-GOSISDBHSA-N 339.414 4.083 0 50 EIAA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CC=CCC1 952990520 VSDVPJRHRMUGOW-KRWDZBQOSA-N 326.465 4.337 0 50 EIAA OCc1cccc(Cn2ccnc2-c2ccc(CC(F)(F)F)cc2)c1 1857683521 IEKXKRDXJOVDPT-UHFFFAOYSA-N 346.352 4.196 0 50 EIAA C[C@H](Cc1ccc(F)cc1F)NCc1c[nH]nc1-c1ccccc1 1875322715 CQEBEAPUOGGFKV-CYBMUJFWSA-N 327.378 4.076 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)NCC(C)(C)C3CC3)[C@H]2C)cc1F 1875358137 KUVDVGVHMNQBIR-XJKSGUPXSA-N 348.462 4.158 0 50 EIAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 2325879446 VYIOFDBNBJOIIU-UHFFFAOYSA-N 347.480 4.492 0 50 EIAA COc1ccc(C2(C(=O)Nc3ccccc3C)CCCC2)cc1OC 315203 FQBYABJJKQMBEQ-UHFFFAOYSA-N 339.435 4.463 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 447186 MRHAVVLJBCSEMH-UHFFFAOYSA-N 347.212 4.050 0 50 EIAA COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl 449778 RVEKXCJDJGMJJL-UHFFFAOYSA-N 345.704 4.500 0 50 EIAA COc1ccccc1C(=O)NC1c2ccccc2Oc2ccccc21 509398 JZWMZCMNKMEOLZ-UHFFFAOYSA-N 331.371 4.320 0 50 EIAA O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCCCC1 619352 XBMXOWNHJKNHNQ-UHFFFAOYSA-N 337.448 4.227 0 50 EIAA CCOc1cc2c(cc1OCC)[C@H](c1cccc(F)c1)CC(=O)N2 4986641 QPBPUBCWWWQLJN-AWEZNQCLSA-N 329.371 4.097 0 50 EIAA CCCCCCOc1ccc(CN2CCC[C@H](C(=O)OCC)C2)cc1 4988007 BDDGVQWUFQGKSV-IBGZPJMESA-N 347.499 4.421 0 50 EIAA O=C(O)c1cccc(CSc2nnc(-c3ccc(Cl)cc3)[nH]2)c1 6414450 FNGDQHMRRSQVLN-UHFFFAOYSA-N 345.811 4.116 0 50 EIAA Cc1cnnn1-c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 9763978 VIXFKEWYFATNPH-UHFFFAOYSA-N 347.205 4.135 0 50 EIAA Cc1c([C@H](C)NCc2ccccc2F)cnn1-c1cccc(F)c1 12458779 ABLHTXBGHNRBHG-ZDUSSCGKSA-N 327.378 4.310 0 50 EIAA O=C(/C=C\c1ccccc1)Nc1ccc2nn(-c3ccccc3)nc2c1 13634872 YCAZSKQWSITQNX-KAMYIIQDSA-N 340.386 4.072 0 50 EIAA Clc1ccccc1CN1CCN(CCCc2ccccc2)CC1 19788052 FBMFTEOUAOEHTL-UHFFFAOYSA-N 328.887 4.090 0 50 EIAA Cc1ccccc1-c1ccccc1C(=O)N1CCC2(CCCO2)CC1 71763767 DFSIUQKXFIGIFN-UHFFFAOYSA-N 335.447 4.447 0 50 EIAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(Cn2cccn2)c1 97631919 IYGBMVPIPMJXSY-OAQYLSRUSA-N 345.446 4.217 0 50 EIAA CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C12CCCC2 170637049 QMAJNZKPUZRPQY-OLZOCXBDSA-N 345.270 4.131 0 50 EIAA Cc1ccnc([C@H](NC(=O)c2ccc3nc(C)sc3c2)C2CC2)c1 215417177 NFUXLGVAKFONPW-GOSISDBHSA-N 337.448 4.189 0 50 EIAA Cc1cc2c(N[C@@H](C)[C@@H](c3ccccc3)N(C)C)ncnc2s1 225532999 GIMJXPDIWVJETJ-BBRMVZONSA-N 326.469 4.103 0 50 EIAA CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 242551705 CBNFUBGLBICSGF-UHFFFAOYSA-N 326.827 4.022 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@H]12 257345812 JPOWGZUAPKSQIG-QAQJGFNQSA-N 334.500 4.322 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Cl)sc1Cl 263095235 IHRWTIOLORVNBX-LSJOCFKGSA-N 334.268 4.273 0 50 EIAA CSc1ccsc1C(=O)NC[C@@H](O)c1ccc2ccccc2c1 303979644 DVGOKLQUWMPCMZ-OAHLLOKOSA-N 343.473 4.087 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2ccc(C)o2)cc1 1506397680 XMKLNXAFMWMYPS-SFHVURJKSA-N 327.424 4.286 0 50 EIAA Clc1cccc(C2(CN[C@H](c3ccccc3)c3cnc[nH]3)CC2)c1 1875337705 ZOLVDSKAYICTML-LJQANCHMSA-N 337.854 4.474 0 50 EIAA CC1(C)CCC([C@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1 2325841778 FWGDPYGNZIYQEB-JOCHJYFZSA-N 343.511 4.263 0 50 EIAA Cc1ccc(-c2nc(N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)cc1 80979 XTJUHZVQYUMZEB-HZPDHXFCSA-N 333.435 4.219 0 50 EIAA Cc1ccc(-c2csc3ncn(-n4c(C)ccc4C)c(=O)c23)cc1 390117 UHBJPGMNPJXILE-UHFFFAOYSA-N 335.432 4.163 0 50 EIAA CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Cl)s1 461227 OLRFBAWAKDHQAP-UHFFFAOYSA-N 329.830 4.200 0 50 EIAA Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 463451 ZHNAXTNBNPYDHB-UHFFFAOYSA-N 330.387 4.500 0 50 EIAA COc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 470795 NVPDJJBHRFWJQO-ZDUSSCGKSA-N 331.437 4.132 0 50 EIAA CCc1c(C)sc2ncn3nc([C@@H]4C[C@H]4c4ccccc4)nc3c12 2805480 WPZNERJASZDRAG-LSDHHAIUSA-N 334.448 4.481 0 50 EIAA C[C@H]1CCC[C@@H](N2CCN(C(=O)c3cccc4ccccc34)CC2)C1 4685772 NHCIWPSEWAAMFH-PKOBYXMFSA-N 336.479 4.176 0 50 EIAA COCc1ccc(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)o1 12589611 BCEOCSPVDMGOFP-INIZCTEOSA-N 345.414 4.050 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C 16580571 IPCYWJJXAXFHGI-UHFFFAOYSA-N 336.435 4.182 0 50 EIAA COc1cc(-c2nc(CN3C[C@H]4CCC[C@@H]3C4)c(C)o2)ccc1F 60126442 CSJDUJCZNALWPL-DZGCQCFKSA-N 330.403 4.172 0 50 EIAA CC(C)(C)c1ccc(I)c(Br)c1 63339625 XNKAPUCNAVBLOL-UHFFFAOYSA-N 339.014 4.351 0 50 EIAA COCc1nn2c(-c3ccc(F)cc3)ccnc2c1-c1ccccc1 71376055 VUEGHIVNAUNKJW-UHFFFAOYSA-N 333.366 4.349 0 50 EIAA O=C(c1ccc2ccccc2c1)N1CC[C@H](Cc2ccc(CO)cc2)C1 92066315 VLVLSKCRTMORPV-LJQANCHMSA-N 345.442 4.037 0 50 EIAA CCCC[C@H]1C=CCN1C(=O)Nc1ccc(-c2nc(CC)no2)cc1 97179449 UTAXNQVDNVEMHA-INIZCTEOSA-N 340.427 4.262 0 50 EIAA BrC1(Br)[C@@H]2C[C@]34C=C[C@@]3(CC=CC4)C[C@H]21 104294265 RQEXXEWMZPALII-WYUUTHIRSA-N 330.063 4.405 0 50 EIAA Cc1cc(F)cc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 152840592 MVHMFPQFTKBVHG-INIZCTEOSA-N 342.370 4.232 0 50 EIAA C[C@H]1CCSCCN1C(=O)Nc1ccccc1-c1ccncc1 192231575 WQOHGOJBVHSPNM-AWEZNQCLSA-N 327.453 4.108 0 50 EIAA O=C(CC(F)(F)F)NCc1cnc(-c2ccc(Cl)cc2)s1 225472423 DYGSMAZOCQVKLZ-UHFFFAOYSA-N 334.750 4.032 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc3sc(C)nc3c2)on1 299769991 NRMSEKPEQYQRHO-AWEZNQCLSA-N 342.424 4.270 0 50 EIAA N=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C1CCC(c2ccccc2)CC1 329898683 DZAKGGAREIHIRI-JIARVOFWSA-N 340.467 4.123 0 50 EIAA c1ccc(C2CCC(c3nc(-c4cnc5cnccn45)no3)CC2)cc1 333241888 WKZPYNWWXITCAB-UHFFFAOYSA-N 345.406 4.221 0 50 EIAA COCc1ccsc1C(=O)Nc1ccc2cn(C(C)C)nc2c1 353009104 SNJFQMPBEDHXNQ-UHFFFAOYSA-N 329.425 4.077 0 50 EIAA COc1ccc(Cl)c(NC(=O)c2cnn(C)c2-c2ccccc2)c1 408513799 BWBXZHSDXSXWOV-UHFFFAOYSA-N 341.798 4.001 0 50 EIAA Cc1ncsc1CN(C)[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 652409421 ZJELHCBHTVGUNJ-CYBMUJFWSA-N 345.251 4.016 0 50 EIAA CC/C=C(/CN(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1 952869405 IGWMRFXYEGQRHY-KCBNLNMNSA-N 328.500 4.059 0 50 EIAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)c1cncc(F)c1 1529185575 NVIDPZMZBCYMPD-UHFFFAOYSA-N 338.386 4.092 0 50 EIAA Cc1nc(NC(=O)c2cc(C(F)F)[nH]n2)cc(-c2ccccc2)c1C 1857736585 NOAOJJNDXTYGAP-UHFFFAOYSA-N 342.349 4.278 0 50 EIAA O=C(Nc1ccc(Cl)c2ncccc12)NC1C[C@@H]2CSC[C@H]2C1 2325865333 YSJBRPWHTPQEDX-GHMZBOCLSA-N 347.871 4.151 0 50 EIAA CCC(=O)c1ccc(OCC(=O)Nc2c(C)cccc2CC)cc1 381858 DFGGJVUEOYJQKW-UHFFFAOYSA-N 325.408 4.168 0 50 EIAA Fc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl 426395 XMCXOGYZFGKSKT-UHFFFAOYSA-N 339.761 4.352 0 50 EIAA COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1Cl 447744 BMWWGRHGVWLDFR-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA O=C(Nc1ccccc1N1CCCCC1)c1ccc(Br)o1 463429 GVBBTRHDBRYGKO-UHFFFAOYSA-N 349.228 4.285 0 50 EIAA O=C(OCc1ccccc1Cl)c1ccc(Br)cc1 471825 HUDQSBQQDQLKGT-UHFFFAOYSA-N 325.589 4.460 0 50 EIAA COC(=O)c1ccccc1NC(=O)Cc1coc2c(C)c(C)ccc12 1063541 ZLORNDRIUWWBPC-UHFFFAOYSA-N 337.375 4.017 0 50 EIAA CC1CCN(CCCCOc2ccccc2Br)CC1 3633610 UQTQDSDHPOBJSK-UHFFFAOYSA-N 326.278 4.340 0 50 EIAA Fc1cccc([C@@H]2C=C(C34CC5CC(CC(C5)C3)C4)NC(=S)N2)c1 4670992 YTKAXGVWCAXASR-UTNBAMHJSA-N 342.483 4.445 0 50 EIAA CC1(C)C[C@H]([C@@H](CC(=O)Nc2nccs2)c2ccccc2)CCO1 4860121 BIGDMJGRSNELTA-CVEARBPZSA-N 344.480 4.461 0 50 EIAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ncccc1C 4970513 KSOJUYLDFPFUFR-UHFFFAOYSA-N 348.468 4.021 0 50 EIAA Cc1ccc(-c2csc(NC(=O)CSc3ccccn3)n2)cc1 5066863 OTGXWEIJTCVBLE-UHFFFAOYSA-N 341.461 4.244 0 50 EIAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)noc2C)cc1 33270513 CIKLWXJMLAVTRJ-MRXNPFEDSA-N 329.400 4.059 0 50 EIAA Cc1ccccc1[C@@H](NC(=O)c1cc(C(C)C)on1)c1ccncc1 77440287 PIMBPMKXZSPNTN-IBGZPJMESA-N 335.407 4.021 0 50 EIAA Cc1ccc(-c2cccc(C(=O)N(C)Cc3noc(C(C)C)n3)c2)o1 82120895 KGFDOZNJHUOFIQ-UHFFFAOYSA-N 339.395 4.034 0 50 EIAA CCCCN(C/C=C/c1ccccc1)C(=O)Nc1cnn(C)c1C 96161980 VCAUVZBJAWLHPC-FMIVXFBMSA-N 326.444 4.076 0 50 EIAA CCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)cn1 119758027 XKYQIDHXXUMPKT-UHFFFAOYSA-N 329.400 4.331 0 50 EIAA CCc1nc(C)c([C@@H](C)N(C)CCOc2ccccc2OC)s1 122053839 SHXGZBMRNLTMFL-CQSZACIVSA-N 334.485 4.094 0 50 EIAA C[C@H](N[C@H](c1nccs1)C1CC1)c1ccc(Br)o1 192903564 LFNIXJMWPSWJLE-UFBFGSQYSA-N 327.247 4.301 0 50 EIAA Cc1c(C(=O)N(C)CC[C@@H]2CCCCO2)[nH]c2ccc(Cl)cc12 243901583 BCXQGAUZJKIBCV-AWEZNQCLSA-N 334.847 4.161 0 50 EIAA CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1cc(C)ccn1 244748733 ONGVDTVNLPUAQY-HNNXBMFYSA-N 334.872 4.403 0 50 EIAA C1=C[C@H]2[C@@H]3C[C@H](C[C@@H]3OCCO[C@@H]3C[C@H]4C[C@H]3[C@H]3C=CC[C@H]43)[C@H]2C1 253596304 PSUKSRYRAXNSIY-ANDBNLPJSA-N 326.480 4.221 0 50 EIAA C[C@@H](NC(=O)c1cccc(-c2cnn3cccnc23)c1)C1=CCCCC1 426399205 KHTRSLVHRXBFOB-OAHLLOKOSA-N 346.434 4.015 0 50 EIAA O[C@@H](CN1CC[C@@H](CSc2ccccc2)C1)c1c(F)cccc1F 743860012 OGDKVGUIRDBRTL-KDOFPFPSSA-N 349.446 4.112 0 50 EIAA CC(C)c1nccn1CCCNCc1cnc(C2CCCCC2)nc1 952964754 DJPKDNUMEMJYPJ-UHFFFAOYSA-N 341.503 4.024 0 50 EIAA Cc1nc(-c2cc(OC(F)(F)F)ccc2O)c2ccsc2n1 1244456888 UDTVIVNCJOVQTA-UHFFFAOYSA-N 326.299 4.271 0 50 EIAA CCCc1cc(C(=O)NCc2ccc(-c3cccc(Cl)c3)o2)n[nH]1 1506409355 PAFGAXNZPKSMMO-UHFFFAOYSA-N 343.814 4.206 0 50 EIAA COc1cc(CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)ccn1 1875247603 YAXTXEWBBMUFOD-RBUKOAKNSA-N 340.467 4.078 0 50 EIAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 236069 OVZJXOAJPLUSBA-CQSZACIVSA-N 343.298 4.074 0 50 EIAA CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc(Br)cc1 371996 DCGQUHABKZDLEP-VXGBXAGGSA-N 348.306 4.037 0 50 EIAA COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 427717 GIEPUPNZIWNCPV-CQSZACIVSA-N 339.435 4.320 0 50 EIAA CC(C)(C)c1csc(NC(=O)c2cccc(Br)c2)n1 452282 CIHZFBLBHHUCEO-UHFFFAOYSA-N 339.258 4.455 0 50 EIAA Cc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)s1 1075474 JWPIKESEUIITKK-UHFFFAOYSA-N 335.372 4.185 0 50 EIAA COC(=O)c1c(-c2ccco2)csc1NC(=O)c1cccs1 2760269 UEDFOCKULOTZCO-UHFFFAOYSA-N 333.390 4.109 0 50 EIAA COc1cc(C)ccc1OCCOc1cccc(C(F)(F)F)c1 4701946 ZLFMALOVBBRZBV-UHFFFAOYSA-N 326.314 4.480 0 50 EIAA Cc1cccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 5704048 AVTBHVRUSWAZLS-UHFFFAOYSA-N 336.391 4.431 0 50 EIAA OC[C@@]1(CCc2ccccc2)CCCN(CCCc2ccccc2)C1 12429719 ZMKGJJVJAOEAJN-HSZRJFAPSA-N 337.507 4.327 0 50 EIAA CCN(CC)c1ncccc1CNCc1[nH]c2ccc(F)cc2c1C 12714291 MOHFLDGGYJTSLH-UHFFFAOYSA-N 340.446 4.146 0 50 EIAA Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 19957429 QQEZGFCQZXAUBP-JOCHJYFZSA-N 342.446 4.347 0 50 EIAA Cc1ccnc(C[C@H](C)N(C)Cc2cccc(Oc3ncccn3)c2)c1 55035873 GXAHGHLOOPHRHM-KRWDZBQOSA-N 348.450 4.035 0 50 EIAA Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H](C)c1nccs1 65381187 HQBHZUMFQNERFN-ZDUSSCGKSA-N 342.420 4.115 0 50 EIAA CC(C)c1cc(C(=O)NCc2cccc(-c3ccccc3)c2)n(C)n1 82146929 OZILELWAXPBMAK-UHFFFAOYSA-N 333.435 4.141 0 50 EIAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N(C)[C@@H](C)c2ccccn2)cc1 253392829 HUXPXURGUJLMAZ-HOTGVXAUSA-N 338.451 4.243 0 50 EIAA CCSCc1ccccc1C(=O)Nc1cccc2c1OCC[C@H]2O 253429646 UIWASXLFUPQDAC-QGZVFWFLSA-N 343.448 4.008 0 50 EIAA COC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(OC)cc2)c1 328579135 UEPPPVQGAWRVMW-UHFFFAOYSA-N 337.350 4.350 0 50 EIAA CCN(CCSc1ccccc1)C(=O)NCc1cnc(C)cc1C 584890484 HDGAHNDWNNHUQK-UHFFFAOYSA-N 343.496 4.022 0 50 EIAA CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 1772491595 LDIFWCUQQYZOLG-PHCATGIFSA-N 346.511 4.020 0 50 EIAA CC(=O)N[C@H](C)c1ccc(-c2cc(OC(F)(F)F)ccc2O)cc1 1772711005 XXCFRWJVVOXPTI-SNVBAGLBSA-N 339.313 4.155 0 50 EIAA O=C(C[C@H]1CCCC1(F)F)Nc1nc(-c2ccsc2)ns1 1776000115 PCAHDNKTKJXTMO-SECBINFHSA-N 329.397 4.031 0 50 EIAA N[C@@H]1CCCC12CCN(C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)CC2 1875292378 GHWOBNUDKQFAFB-VAMGGRTRSA-N 340.511 4.080 0 50 EIAA CCc1nc([C@H]2CCCN2CC(C)C)n(-c2cc(C)cc(C)c2)n1 1875348612 WSPDEPOGVLZXRV-GOSISDBHSA-N 326.488 4.239 0 50 EIAA O=C(CCCCCc1c[nH]c2ccccc12)OCCc1cccnc1 2325729482 XQMPVKDNMZKATG-UHFFFAOYSA-N 336.435 4.452 0 50 EIAA C[C@H](c1cccc2ccccc12)n1cc(-c2cc(N)ccc2F)nn1 2325839659 AMQRWLNJAOMMTQ-CYBMUJFWSA-N 332.382 4.429 0 50 EIAA CN(Cc1ccc(Cl)cc1Cl)C1=NC[C@H](c2ccccc2)N1 2325864491 QBZWIYOBNYNAIH-MRXNPFEDSA-N 334.250 4.126 0 50 EIAA Cc1cc(N2CCC[C@]3(CCC[C@H]3O)C2)nc2cc(Cl)ccc12 2356140249 AMGMVNUWJRYYGK-IEBWSBKVSA-N 330.859 4.328 0 50 EIAA OCCc1ccc(Nc2c(-c3ccccc3)nc3ccccn23)cc1 2356150861 CMBYIDMYVQNZEO-UHFFFAOYSA-N 329.403 4.280 0 50 EIAA COc1ccc(C2(C(=O)Nc3ccc(C)cc3)CCCC2)cc1OC 184586 QNQMEILGTYJKGP-UHFFFAOYSA-N 339.435 4.463 0 50 EIAA biogenic COc1cccc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1 245502 SHPZHHAURBLNRY-UHFFFAOYSA-N 343.386 4.262 0 50 EIAA CC(C)N(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1 441434 XLCQEXAQQURVQQ-UHFFFAOYSA-N 346.268 4.429 0 50 EIAA C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 536336 DAHFBNNQAHMNQB-SNVBAGLBSA-N 333.313 4.073 0 50 EIAA CCc1cc2c(SCc3nc4ccccc4[nH]3)ncnc2s1 572864 CSLFTYOBYKSYSI-UHFFFAOYSA-N 326.450 4.422 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)Cn1cc(C=O)c2ccccc21 616896 JDPCFJDKGGENAE-UHFFFAOYSA-N 326.783 4.054 0 50 EIAA COc1ccc([C@H](C)NC(=O)c2csc3ccccc23)cc1OC 1054811 SZYGZRZBEOZVDK-LBPRGKRZSA-N 341.432 4.410 0 50 EIAA CCN(CC)C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])N(CC)CC 1640418 RAXKPWAKMDDUBY-UHFFFAOYSA-N 344.670 4.001 0 50 EIAA O=C(COC(=O)c1ccccc1O)c1ccc(-c2ccccc2)cc1 1705397 PTEGBOQTRCNNLL-UHFFFAOYSA-N 332.355 4.099 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 2049735 XTBTZBHSFFSWAU-UHFFFAOYSA-N 326.465 4.464 0 50 EIAA CC(C)N(C(=O)COc1ccc(Br)cc1Cl)C(C)C 2878574 AVAVUVPAURTGCM-UHFFFAOYSA-N 348.668 4.127 0 50 EIAA Cc1ccc([C@@H]2C[C@H]2c2nnc(S)n2-c2ccc(F)cc2)cc1 6533833 VUDWBEWIOGNWKC-JKSUJKDBSA-N 325.412 4.275 0 50 EIAA O=c1cc(/C=C/c2ccccc2Br)[nH]c2ccccc12 15016978 ZSOVOXCRWUFBBR-MDZDMXLPSA-N 326.193 4.461 0 50 EIAA c1ccc(-c2ncn(CCc3cccs3)c2CCn2cccn2)cc1 65500352 JTRKFIYCZJQOKL-UHFFFAOYSA-N 348.475 4.294 0 50 EIAA CC(C)n1ccnc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72167567 AEXRCYZHICGQQW-UHFFFAOYSA-N 332.411 4.014 0 50 EIAA CN(Cc1cccc2ncccc12)C(=O)Cc1ccc(F)cc1Cl 77439457 STYNBILAEVRNAW-UHFFFAOYSA-N 342.801 4.228 0 50 EIAA CN(C)C[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 96027104 FCGKOEFITHCRPJ-HSZRJFAPSA-N 345.486 4.343 0 50 EIAA O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](C(F)(F)[C@@H](F)C(F)(F)F)(C3)C1)C2 101750755 GLJDZZQQPFAEPQ-YSBPJYLOSA-N 330.268 4.193 0 50 EIAA O=C(Cc1cnc2ccccc2c1)N1CCC[C@H]1Cc1ccccc1 129141869 DOUWUFVQUAOHSF-FQEVSTJZSA-N 330.431 4.011 0 50 EIAA CC(=O)N1CCc2cc(N[C@@H](C)c3ncc(C(C)(C)C)o3)ccc21 177414352 IIFKRTMNNVQDDL-LBPRGKRZSA-N 327.428 4.054 0 50 EIAA CN(C)Cc1ccc(CN(C)Cc2ccc([C@@H]3CCCCO3)o2)cc1 215032061 HCJSFUZIMOMQKN-FQEVSTJZSA-N 342.483 4.215 0 50 EIAA Cc1cc(Br)c(C=O)c2ccn(C(=O)OC(C)(C)C)c12 219894622 BBIQMEKKADFGCG-UHFFFAOYSA-N 338.201 4.308 0 50 EIAA Cc1cc(CN(C)CC(=O)O)cc(C)c1OCc1ccccc1Cl 237183068 BFDYREIHUPKQBB-UHFFFAOYSA-N 347.842 4.052 0 50 EIAA CC(C)n1ncc(C(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)c1N 253419824 DZKJVBMBVUMMSK-GFCCVEGCSA-N 346.862 4.065 0 50 EIAA CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 334162329 MLKRJBXJLPRPMW-INIZCTEOSA-N 339.370 4.003 0 50 EIAA Cc1nc2c(C(=O)N[C@H]3CCOc4c(Cl)cccc43)cccc2o1 348123953 RPZNBPMNNMYLOQ-AWEZNQCLSA-N 342.782 4.043 0 50 EIAA O=C(/C=C/c1sc2ccccc2c1Cl)N1CC([C@@H]2CCOC2)C1 366850498 SEPADEKTRNOBAR-BTDICHCPSA-N 347.867 4.063 0 50 EIAA Cc1ccccc1C1CCN(C(=O)c2ncoc2C(F)(F)F)CC1 668384803 VLSCPAUBFIVXTR-UHFFFAOYSA-N 338.329 4.022 0 50 EIAA C[C@H](c1ccccc1)N(C(=O)c1cnn(C2CCC2)c1)c1ccccn1 906112213 NQTVHFZZALIUSZ-MRXNPFEDSA-N 346.434 4.411 0 50 EIAA Cc1ccc2nc([C@@H](NC(=O)NCc3cccs3)C(C)C)[nH]c2c1 952980533 KDKACBGLLSLQQS-INIZCTEOSA-N 342.468 4.129 0 50 EIAA Cc1ccc([C@H]2CN(Cc3ccc(F)cc3Cl)C[C@@H]2N(C)C)cc1 1565505886 IJTXOTJFNVHVAI-QUCCMNQESA-N 346.877 4.317 0 50 EIAA CN(C[C@@H]1CC1(C)C)c1noc(-c2ccc(Cl)cc2)c1C(=O)O 1772701128 CBPPCXHRDCUXDO-NSHDSACASA-N 334.803 4.176 0 50 EIAA CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)O)c2)c1 1857533512 KACQOWFTLDJFJO-UHFFFAOYSA-N 335.359 4.019 0 50 EIAA c1ccc(CCN(CC[C@H]2CCc3ccccc32)[C@@H]2CCOC2)cc1 1875345487 ZDUFKZFATYGOGY-FGZHOGPDSA-N 335.491 4.440 0 50 EIAA Cc1ccc(NC(=O)c2ccccc2)c(Nc2ccc(C(N)=O)cc2)c1 2356146945 AZMSFZJNUMKIDY-UHFFFAOYSA-N 345.402 4.090 0 50 EIAA Cc1ccc(C)c(CSc2nc3c([nH]c4ccccc43)c(=O)n2C)c1 213999 TXLCGEVFVRFTCC-UHFFFAOYSA-N 349.459 4.324 0 50 EIAA CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1 279984 WHKUIROSKGQCLP-LLVKDONJSA-N 333.438 4.102 0 50 EIAA CCCCOc1ccccc1NC(=O)COc1ccccc1CC 1779262 COZNPQKBNGJTBY-UHFFFAOYSA-N 327.424 4.445 0 50 EIAA COc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C 2563778 DCTZDUWRIAYEIF-UHFFFAOYSA-N 326.190 4.196 0 50 EIAA in-vitro O=C(O)c1ccccc1NC(=O)c1ccccc1Nc1ccccc1 3204922 KZHFROICPFWBIN-UHFFFAOYSA-N 332.359 4.381 0 50 EIAA Cc1nn(C[C@H](O)COc2ccc3ccccc3c2Cl)c(C)c1C 4487278 RUQWPSFGTOSERO-INIZCTEOSA-N 344.842 4.055 0 50 EIAA O=C(CCCCC(=O)Nc1ccccc1F)Nc1ccccc1F 4542675 BAINHOWETYWGAT-UHFFFAOYSA-N 332.350 4.102 0 50 EIAA CCCCC/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\CCCC(=O)O 4655416 DCJBINATHQHPKO-QJVNBQAESA-N 338.488 4.382 0 50 EIAA endogenous,in-man Cc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 4855714 SSCPPEXRNWHJPD-UHFFFAOYSA-N 329.831 4.003 0 50 EIAA Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 6207075 FNTQSSOSKVXVBV-SFHVURJKSA-N 336.479 4.084 0 50 EIAA Cc1ccc(-n2nnnc2COc2cc(C)ccc2C(C)C)c(C)c1 6760473 YXLICEORYIEUBI-UHFFFAOYSA-N 336.439 4.290 0 50 EIAA Cc1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 9747053 RTXUHPBUWCSKQO-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA c1ccc(Cc2cn[nH]c2[C@@H]2CCCN(C3CCSCC3)C2)cc1 12246558 IFTXWAMCNMOHBC-QGZVFWFLSA-N 341.524 4.076 0 50 EIAA CC(C)(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3)no2)cc1 12381751 NRKLYWGAFJCOKO-UHFFFAOYSA-N 335.407 4.215 0 50 EIAA O=C(C1=CCCCC1)N1CCC[C@@H]2CN(Cc3ccsc3)CC[C@H]21 19811368 UDTUBDYRWYMVMU-RTBURBONSA-N 344.524 4.061 0 50 EIAA C[C@@H](CCCC(C)(C)O)CCNC1CCN(c2ccccc2)CC1 32565317 WOVBJFPQHKPGPA-SFHVURJKSA-N 332.532 4.212 0 50 EIAA COc1ccc(C[C@@H](C)NCc2ccc(Br)cc2)cc1 35335379 IEUBBLOCLWLOKT-CYBMUJFWSA-N 334.257 4.179 0 50 EIAA CCc1nc(C)c(C(=O)N2CCC(Sc3ccccc3C)CC2)o1 77539319 FATCCHOSAZMLHA-UHFFFAOYSA-N 344.480 4.251 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N1CC[C@@H](c2ccccc2Cl)C1 91693557 HRFSBWFWADYSGE-CQSZACIVSA-N 345.874 4.310 0 50 EIAA Cc1cc(CNC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)on1 117486967 DVVXTVGDCNHRFQ-KRWDZBQOSA-N 347.846 4.463 0 50 EIAA CCCc1ncc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)s1 172734845 SLFBGEXYNUPHKA-UHFFFAOYSA-N 327.409 4.311 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253500100 WGYHVQYXJNPQAA-QAGZKXQMSA-N 332.484 4.099 0 50 EIAA biogenic CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2Cl)CC1 255187714 GJARMCQNWKHIMO-SHTZXODSSA-N 338.879 4.266 0 50 EIAA COc1ccc(CN(Cc2ccsc2)C[C@@H]2CCCO2)cc1F 824721366 KHBRFAJEXUFZEO-INIZCTEOSA-N 335.444 4.077 0 50 EIAA CCc1nnc([C@H]2CCCN(Cc3ccc(C(C)C)nc3C)[C@H]2C)o1 952852852 YQFHOQXNAXGQQY-RDJZCZTQSA-N 342.487 4.227 0 50 EIAA c1cnc2cc(-c3ccc4c(cnn4[C@H]4CCCCO4)c3)ccc2n1 1242446049 HTUZLHFOKSUGGX-HXUWFJFHSA-N 330.391 4.346 0 50 EIAA FC(F)(F)c1cccc(CNCCN2CC[C@@H](c3ccccc3)C2)c1 1506419506 DJQCPJYYMTUKJO-GOSISDBHSA-N 348.412 4.285 0 50 EIAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CCC[C@H]1C1(O)CC1 1857683067 AXTCGBUHXWBXCQ-KRWDZBQOSA-N 345.826 4.038 0 50 EIAA CSc1ccc([C@@H](C)NC[C@H](CO)Cc2ccccc2C)cc1 2325738423 URTAGSXCCLADNZ-IAGOWNOFSA-N 329.509 4.219 0 50 EIAA CN1CCN(C(=O)Nc2cccc(C3CCCCC3)c2)CC12CC2 2325869042 WXTDJIDYTKORLJ-UHFFFAOYSA-N 327.472 4.046 0 50 EIAA CCOc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cc1C(C)(C)C 2325871263 FNDHHOZONSCDLX-UHFFFAOYSA-N 341.517 4.190 0 50 EIAA CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cccc(Cl)c1Cl 207018 UKSJJGUEFDJHHY-RRQGHBQHSA-N 342.266 4.208 0 50 EIAA CCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 376525 XMTDEWSXQZZQSZ-UHFFFAOYSA-N 330.236 4.357 0 50 EIAA Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2cccc(F)c2)n1 1427030 CDLMDYZBRPRCHN-UHFFFAOYSA-N 329.762 4.226 0 50 EIAA COc1ccccc1OCCOCCOc1ccc(C(C)C)cc1 2983566 JNFGIIPMUPVWMW-UHFFFAOYSA-N 330.424 4.293 0 50 EIAA COc1ccc(C(=O)CCNc2ccc(OC(F)(F)F)cc2)cc1 4622402 YETLWUFVXWWPOU-UHFFFAOYSA-N 339.313 4.279 0 50 EIAA Cc1cc(NC(=O)c2ccco2)cc(-c2nc3ccccc3o2)c1O 4988480 QXMDYJJBABPJOD-UHFFFAOYSA-N 334.331 4.354 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccncc1 5636401 ARRLGLCWYFHJIH-MNOVXSKESA-N 339.222 4.033 0 50 EIAA C[C@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 6700481 YGCOQMNWZSFBPX-JTQLQIEISA-N 334.769 4.029 0 50 EIAA COC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc(C)c1C 7560704 QDDZNTGXPIXHPQ-UHFFFAOYSA-N 334.466 4.269 0 50 EIAA CCOC(=O)C1(CCc2ccccc2)CCN([C@@H](C)CSC)CC1 12023454 BMTXMHDMHDVELH-KRWDZBQOSA-N 349.540 4.016 0 50 EIAA C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@@H]1CCCO1 12383242 KJKARWKNWLOOHS-ZYSHUDEJSA-N 341.476 4.204 0 50 EIAA COc1ccc([C@@H]2CN(C)C[C@@H]2C(=O)c2ccc(C)cc2)cc1Cl 13133143 GJASQCPZJSUPBP-IRXDYDNUSA-N 343.854 4.185 0 50 EIAA Cc1csc2ncnc(-c3ccc([C@H](C)N4CCOCC4)cc3)c12 67724161 YNROFEUFOXJMIM-AWEZNQCLSA-N 339.464 4.060 0 50 EIAA Clc1ccccc1-c1noc(-c2cnc([C@@H]3CCCO3)s2)n1 132066812 ICDFNXZKCQKJKM-NSHDSACASA-N 333.800 4.365 0 50 EIAA CC(C)COc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 152515573 AQUAVOBLQFXVGK-FYSMJZIKSA-N 345.508 4.310 0 50 EIAA C[C@@H](CCc1cccn1C)NC(=O)c1c(Cl)cccc1Cl 176453861 FCVNQKIVUHQFGW-NSHDSACASA-N 325.239 4.083 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)Nc1ccc(OC2CCCC2)nc1 190167665 IGZRQMQRBGOFRH-UHFFFAOYSA-N 342.399 4.221 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(Cl)sc1Cl 263095234 IHRWTIOLORVNBX-IEBDPFPHSA-N 334.268 4.273 0 50 EIAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CSc1ccncc1 270304370 YYDLOWIYVHFDMT-ZDUSSCGKSA-N 349.525 4.282 0 50 EIAA c1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)cc1 299768428 VCBNILFPGXSXNK-ZCNNSNEGSA-N 345.446 4.353 0 50 EIAA O=C(CSc1ccccc1)Nc1ccccc1[C@H](O)C(F)(F)F 408513849 AAIWVXKAHWKEPC-HNNXBMFYSA-N 341.354 4.013 0 50 EIAA Cc1c(NC[C@@H]2CCO[C@H](C)C2)cccc1NC(=O)c1ccccc1 408514803 JVMHRFHDDSAEKZ-NVXWUHKLSA-N 338.451 4.474 0 50 EIAA O=C(NCCCOC1CCCC1)c1cccc(-c2ccc(O)cc2)c1 426399301 XDWFUMXYYAQZCE-UHFFFAOYSA-N 339.435 4.138 0 50 EIAA CC[C@@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1ncc(C)[nH]1 584902363 JLABQKRLUWSTLO-MRXNPFEDSA-N 346.500 4.385 0 50 EIAA O[C@H](CN1CC[C@@H](CSc2ccccc2)C1)c1c(F)cccc1F 743860014 OGDKVGUIRDBRTL-RDTXWAMCSA-N 349.446 4.112 0 50 EIAA C[C@H](NC[C@@H]1CCO[C@H]1c1ncc[nH]1)c1cc(Cl)ccc1Cl 886035469 WHFDFZFONXSRSK-ZIBATOQPSA-N 340.254 4.145 0 50 EIAA Cn1c([C@H]2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21 561751 DOHMKENCDAVGRQ-INIZCTEOSA-N 341.414 4.247 0 50 EIAA CCCCOc1cccc(C(=O)Nc2cccc(NC(=O)CC)c2)c1 2811031 HPHOMYPYPPFUJR-UHFFFAOYSA-N 340.423 4.466 0 50 EIAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nccs1 3216245 GJEBJRAZCQNXRK-UHFFFAOYSA-N 337.763 4.151 0 50 EIAA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccoc1C 3613368 ZUERWCREGSVSSA-UHFFFAOYSA-N 341.388 4.355 0 50 EIAA COCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 5563099 YGXLERQTPBIAFO-UHFFFAOYSA-N 338.455 4.061 0 50 EIAA CC(=O)Nc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1 5627015 CJTRHTHSQGIJBF-UHFFFAOYSA-N 336.416 4.168 0 50 EIAA c1ccc(Oc2cccc(CN3CCN(Cc4ccco4)CC3)c2)cc1 19359617 SVCSFJCSRNXLHI-UHFFFAOYSA-N 348.446 4.390 0 50 EIAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccnc3)C2)c1 20149621 VQVQZQLLRCGHFE-IBGZPJMESA-N 332.451 4.160 0 50 EIAA Cc1ccccc1Oc1ncccc1CNC1CCN(C(C)C)CC1 23338299 HUXSYORBZWBMJS-UHFFFAOYSA-N 339.483 4.145 0 50 EIAA CCc1cc(NCc2scnc2-c2ccccc2)n2nccc2n1 72166049 ZBWPTVGYFLGZCI-UHFFFAOYSA-N 335.436 4.027 0 50 EIAA Cc1cccc([C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)c1 77517568 SNICEDSHEAWPKS-HXUWFJFHSA-N 345.446 4.201 0 50 EIAA COc1cccc([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)c1 77539024 RMVINEQRSXTSLA-SFHVURJKSA-N 331.362 4.341 0 50 EIAA Fc1cc(CN2CCC(c3nccn3CC3CC3)CC2)cc(F)c1F 82086594 ZKIAIPMMBJBIBN-UHFFFAOYSA-N 349.400 4.090 0 50 EIAA CCc1nc2ccc(NC(=O)N(C)[C@H](C)c3nc(C)cs3)cc2[nH]1 97117023 VDXJISHWTPNELP-LLVKDONJSA-N 343.456 4.115 0 50 EIAA CN(C)CCCCCCCNCc1ccc(Br)s1 170594584 PEFBAQJRTSAOTA-UHFFFAOYSA-N 333.339 4.112 0 50 EIAA Cc1cnn(-c2ccc(OC(=O)CCn3ccc4ccccc43)cc2)c1 170609432 CRQPNSCUURCEEH-UHFFFAOYSA-N 345.402 4.131 0 50 EIAA Cc1ccc(-c2cccc(CN[C@H](Cc3ccccc3)C(=O)O)c2)cc1 170612749 SDWBTUDEBIWZFW-JOCHJYFZSA-N 345.442 4.448 0 50 EIAA CCO[C@@H]1C[C@H](Nc2nccc(C(F)(F)F)n2)C12CCCCC2 170639418 JODIFRYUSYKERB-QWHCGFSZSA-N 329.366 4.035 0 50 EIAA CCCc1sc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1CC 252514064 AZZJZZHWTDAYGW-KBRIMQKVSA-N 335.513 4.149 0 50 EIAA FC(F)c1nnc(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)o1 292988959 IJYFSGODXIECHP-MRVPVSSYSA-N 349.168 4.005 0 50 EIAA Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2cccc(F)c2)s1 299768549 JYIDUODCMMEOHJ-INIZCTEOSA-N 332.444 4.195 0 50 EIAA Cc1ccc(-c2cccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)nn1 426491037 KRPWUBTVYPWYBB-XMSQKQJNSA-N 349.478 4.493 0 50 EIAA O[C@@H](CN1CC[C@H](CSc2ccccc2)C1)c1c(F)cccc1F 743860013 OGDKVGUIRDBRTL-KSSFIOAISA-N 349.446 4.112 0 50 EIAA CCCc1nc(C)c(CNC(=O)N[C@H](C)c2ccc(F)cc2)s1 823015207 ZDGPGNRSXDWLTN-LLVKDONJSA-N 335.448 4.104 0 50 EIAA Cc1ccc(CCNC(=O)c2ccc(Oc3ccncc3)cc2)cc1C 1875338663 GPYRWASTKLYOGQ-UHFFFAOYSA-N 346.430 4.463 0 50 EIAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C2CCCCC2)CC1 2100482622 MINIZYZTEXNSGE-UHFFFAOYSA-N 343.515 4.092 0 50 EIAA Cn1c(=S)n(CCSc2nc3ccccc3[nH]2)c2ccccc21 34355 KDPSGIFCBZTBEZ-UHFFFAOYSA-N 340.477 4.378 0 50 EIAA in-vitro Clc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12 159756 BUWZNQAPWHNMKF-UHFFFAOYSA-N 326.812 4.452 0 50 EIAA CSc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 202346 GASSAAANROCKLJ-OQLLNIDSSA-N 344.823 4.159 0 50 EIAA CCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1 302340 BEOBVVWZQZMNSZ-LFYBBSHMSA-N 346.224 4.500 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)CCc1ccccc1 318763 JXKNQXFVWYAXDV-HNNXBMFYSA-N 334.419 4.401 0 50 EIAA Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(N)=O)sc2c1 483799 UPTLFXXAHNEIKP-UHFFFAOYSA-N 344.823 4.214 0 50 EIAA CCOC(=O)c1ccccc1NC(=S)NCc1ccc(Cl)cc1 609868 ZZHCJFFQMMGEKW-UHFFFAOYSA-N 348.855 4.003 0 50 EIAA O=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12 2506039 JCTLQONXXMOFSN-UHFFFAOYSA-N 332.172 4.404 0 50 EIAA CCc1c(C(=O)Nc2nnc(-c3ccccc3)s2)csc1C 2749612 GXQPQJQRVLQRSB-UHFFFAOYSA-N 329.450 4.390 0 50 EIAA CCOc1ccccc1OCCOCCOc1ccc(C)cc1C 2986990 JVASVWJQYWHSOG-UHFFFAOYSA-N 330.424 4.177 0 50 EIAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@H](O)Cc1ccccc1 5051359 GEUQJHGDWUFPCL-UTKZUKDTSA-N 334.463 4.047 0 50 EIAA c1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)nc1 10312392 BXGYMAYYOVUMAI-UHFFFAOYSA-N 329.388 4.068 0 50 EIAA Cc1cccc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)C[C@@H]2C)c1 13320321 KFTVBSCUTICSLM-INIZCTEOSA-N 341.430 4.185 0 50 EIAA Clc1ccc(-n2nnnc2COc2cccc3ccccc23)cc1 13629899 BYGCXSXECIHVGW-UHFFFAOYSA-N 336.782 4.048 0 50 EIAA CSc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 19536506 RCTUEYFOGVWFPP-VMPITWQZSA-N 338.520 4.240 0 50 EIAA COc1ccc(Cl)cc1-c1nc2c(cnn2Cc2cccs2)[nH]1 67819163 YNRMTRSOJFFHJI-UHFFFAOYSA-N 344.827 4.198 0 50 EIAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@H](C)c1ccc(O)cc1 91504460 XOGOGRQXVXIJIP-CQSZACIVSA-N 336.435 4.219 0 50 EIAA Cc1ccc(F)cc1Cn1cc(-c2ccc(C)c3ncccc23)nn1 91876588 HWJNZWFUZQARDS-UHFFFAOYSA-N 332.382 4.298 0 50 EIAA CCn1ncc2ccc(NC(=O)c3cncc(-c4ccccc4)c3)cc21 125591799 AUHGSKVFUXKTHT-UHFFFAOYSA-N 342.402 4.371 0 50 EIAA Cc1ccc(C)c(N(C(=O)c2cnc(C(F)(F)F)nc2)C(C)C)c1 155888552 ITZONSWNXXUGGJ-UHFFFAOYSA-N 337.345 4.167 0 50 EIAA CCO[C@H](C)c1nc(COc2ccnc3cc(OC)ccc23)cs1 174124142 XDPJXTSYJWRNKH-GFCCVEGCSA-N 344.436 4.376 0 50 EIAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCc1ccc2ccccc2c1 179121989 KFOULHSZSJRAMP-CQSZACIVSA-N 335.451 4.032 0 50 EIAA COc1ccc2cc(CNc3cccc4c3OCC[C@H]4O)ccc2c1 184084206 INWFFIDLVVRPOK-HXUWFJFHSA-N 335.403 4.276 0 50 EIAA CC(C)N1CC[C@H](Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)C1=O 230222198 JRBOIWIRAPCMQT-AHRSYUTCSA-N 344.499 4.203 0 50 EIAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(F)c(C2CC2)c1 242324400 ZBALUHHDYZQXBC-KRWDZBQOSA-N 342.418 4.412 0 50 EIAA CC(C)(C)c1ncc2c(n1)CN(Cc1cc(C3CCCCC3)no1)C2 244633283 GAKLUPCUEYRSTD-UHFFFAOYSA-N 340.471 4.326 0 50 EIAA CCCc1cc(CNC(=O)Cc2coc3c(C)c(C)cc(C)c23)on1 823020296 PSSRDGWOJYGNJK-UHFFFAOYSA-N 340.423 4.157 0 50 EIAA C[C@@H]1c2cc(F)ccc2CCN1Cc1cccc(Cn2cccn2)c1 826602449 YSOSYIJOAKHQHG-MRXNPFEDSA-N 335.426 4.190 0 50 EIAA O=C(OCc1cccc(Br)c1)c1ccccc1Cl 149202 WZLRKTOZJGIHLP-UHFFFAOYSA-N 325.589 4.460 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 208979 BNPHZQNOWLCONN-UHFFFAOYSA-N 329.705 4.376 0 50 EIAA O[C@@H](CN(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21 290000 UADOBENHDRZEKF-HXUWFJFHSA-N 343.430 4.236 0 50 EIAA CCc1c(C)sc(NC(=O)/C=C/c2ccccc2Cl)c1C(N)=O 433831 SVJKEBBSJMBLKA-CMDGGOBGSA-N 348.855 4.023 0 50 EIAA Clc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1 757099 LAUXDMAZKBDZNL-UHFFFAOYSA-N 328.887 4.137 0 50 EIAA O=C(CSc1nnc(-c2ccccc2)o1)c1cc2ccccc2o1 1431531 DHXFILKQIKUXIM-UHFFFAOYSA-N 336.372 4.458 0 50 EIAA Cc1ccc(S(=O)(=O)N[C@H](C)Cc2csc3ccccc23)cc1 4237585 SPEPQRSPYPTJKR-CQSZACIVSA-N 345.489 4.119 0 50 EIAA CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 4499186 UAOLAEAACDBSCZ-SXGWCWSVSA-N 349.217 4.109 0 50 EIAA CCN(Cc1ccccc1)C(=O)C1CCN(CC2CCCCC2)CC1 4725497 GWICVGCZDDIECY-UHFFFAOYSA-N 342.527 4.327 0 50 EIAA Cc1cc(C)nc(S[C@H](C)C(=O)Nc2cccc3ccccc23)n1 4783975 AEHYRVFQSRZYHZ-CQSZACIVSA-N 337.448 4.366 0 50 EIAA O=c1[nH]c(SCc2ccccc2F)nc2sc3c(c12)CCCC3 5237644 DOGVCIJEBLHMIJ-UHFFFAOYSA-N 346.452 4.295 0 50 EIAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NCc2cccnc2)C1 12304293 CKJKKVUNTQDBIU-LJQANCHMSA-N 332.451 4.071 0 50 EIAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1 13594568 NTJAQIVRFUGDAI-AWEZNQCLSA-N 345.489 4.205 0 50 EIAA CCc1c(C(=O)Nc2ccc(Br)cn2)csc1C 13746830 LJRZEWIAEQCPDE-UHFFFAOYSA-N 325.231 4.029 0 50 EIAA CCCN(Cc1ccc(SC)cc1)Cc1cccc(C(=O)OC)n1 55109307 JJUWSWQZHZJDDM-UHFFFAOYSA-N 344.480 4.002 0 50 EIAA Cc1cccc(N2CCN(Cc3ccnc4ccccc34)CC2)c1C 55142213 JQGIVLQPBOUVGW-UHFFFAOYSA-N 331.463 4.174 0 50 EIAA O=C(c1ccccc1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71745348 TYAOSTKEBKMCKQ-HNNXBMFYSA-N 329.390 4.450 0 50 EIAA Cc1cc(C)cc(OCC[C@@H]2CN(Cc3ccccc3)C(=O)O2)c1 71769265 CZNYHRFBGHFFFU-GOSISDBHSA-N 325.408 4.093 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c(C)o1 72440304 IVDTULPRUKYIJZ-QGZVFWFLSA-N 341.386 4.279 0 50 EIAA O=C(O)c1cc2c(Br)sc(Br)c2s1 91301385 LZZZIBXZKLAXSO-UHFFFAOYSA-N 342.033 4.186 0 50 EIAA CCCc1nc(C(=O)NCCCc2nc3ccccc3s2)cs1 91493254 GFLIZZFWKQUOIP-UHFFFAOYSA-N 345.493 4.068 0 50 EIAA CSc1cccc(CN(C)C(=O)c2cc3cccc(C)c3n2C)c1 95372532 MQBYVGZXVBTVBI-UHFFFAOYSA-N 338.476 4.481 0 50 EIAA Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cnc3ccccc3n2)o1 173550143 LXPKEYWXTVYTLL-FZKQIMNGSA-N 335.407 4.145 0 50 EIAA C[C@@H](C(=O)N1CC=C(c2ccc(F)cc2)CC1)n1cnc2ccccc21 193089320 HNBGDWUWVHZGJN-HNNXBMFYSA-N 349.409 4.052 0 50 EIAA CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cc(C)c(C)nc2O)cc1 534671686 XWXCNDYBOIPPIL-GOSISDBHSA-N 336.435 4.252 0 50 EIAA Clc1ccc2c(-c3csc(O[C@@H]4CCOC4)n3)ccnc2c1 863974945 YBQXNBXSTFLFML-LLVKDONJSA-N 332.812 4.179 0 50 EIAA c1ccc(COc2ccc(-c3cnc(C4CCOCC4)o3)cc2)nc1 904755387 WIHBJBPAJFKPAX-UHFFFAOYSA-N 336.391 4.210 0 50 EIAA COc1ccc(/C=C/CN2CCC([C@H](O)c3cccs3)CC2)cc1 952981000 NAAKOSNVSHCTHJ-ZFDYTMOGSA-N 343.492 4.216 0 50 EIAA C[C@H](C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccc2ccccc2c1 1300543263 OOJCDUNJYGEFDY-AWEZNQCLSA-N 342.398 4.424 0 50 EIAA Cc1ccc([C@H](C)CCN2CCCN(Cc3cccs3)CC2)o1 1506407743 XXSBCXAPNTVJGO-MRXNPFEDSA-N 332.513 4.351 0 50 EIAA Clc1cccc2ccc(-c3nccn3CCc3cscn3)nc12 1857705019 ORYMSGPFWUSVNI-UHFFFAOYSA-N 340.839 4.451 0 50 EIAA CCc1nc([C@@H](C)NC(=O)c2cc3ncc(C(C)C)cc3[nH]2)cs1 2325822900 VLQYIMRNGNSYJD-LLVKDONJSA-N 342.468 4.196 0 50 EIAA CN(Cc1ccc(Cl)c(Cl)c1)C1=NC[C@H](c2ccccc2)N1 2325864258 KFUUBGILXOLRPA-MRXNPFEDSA-N 334.250 4.126 0 50 EIAA Cc1cccc(C)c1NC(=O)COc1ccccc1OCC(C)C 61956 FGUNHMRESIRHFM-UHFFFAOYSA-N 327.424 4.356 0 50 EIAA Nc1cccc(C(c2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1 155091 UVUCUHVQYAPMEU-UHFFFAOYSA-N 334.263 4.262 0 50 EIAA in-vitro O=C(O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 467117 YJZKPXQCASVSAI-UHFFFAOYSA-N 333.343 4.429 0 50 EIAA CCOc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1Cl 469606 DRGHRVZMLSGPSU-UHFFFAOYSA-N 326.179 4.350 0 50 EIAA S=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCCCCC1 2806774 KAXNBPJLINSBIE-UHFFFAOYSA-N 348.903 4.158 0 50 EIAA Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(N)cc1 2842101 AEWXIDVRSMNRTB-UHFFFAOYSA-N 330.844 4.010 0 50 EIAA O=C(Nc1nnc(SC/C=C/c2ccccc2)s1)c1ccco1 2872072 MFQDGKGDUUDZQV-VMPITWQZSA-N 343.433 4.189 0 50 EIAA Cc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1 4054661 SUPHVGZNGOEORE-UHFFFAOYSA-N 335.270 4.244 0 50 EIAA O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1 4851398 KPLILFUHUWGBJG-AWEZNQCLSA-N 327.733 4.243 0 50 EIAA O=c1ccc(-c2cccs2)nn1Cc1cccc(C(F)(F)F)c1 5388090 FHNHWFDBHKIRGU-UHFFFAOYSA-N 336.338 4.039 0 50 EIAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(OC)c(OC)c1 6726714 DGHIVVQFOGZBRO-UHFFFAOYSA-N 336.775 4.010 0 50 EIAA Cc1cccc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)c1 8022418 ABRTVWQUBOZXAJ-UHFFFAOYSA-N 334.423 4.260 0 50 EIAA CCc1noc(C)c1C(=O)NCCC(c1ccccc1)c1ccccc1 13328521 GUUWFUYXSQSFCT-UHFFFAOYSA-N 348.446 4.497 0 50 EIAA CCCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 13331575 SRXGVSZGEADLGB-UHFFFAOYSA-N 342.870 4.255 0 50 EIAA C[C@H](CCCC(C)(C)O)NC1CCN(c2cccc(Cl)c2)CC1 20535880 LUMVIHUIJWMMDI-OAHLLOKOSA-N 338.923 4.228 0 50 EIAA CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 44935311 YOXQVQVQZXMEFE-NRFANRHFSA-N 336.479 4.166 0 50 EIAA Cc1nc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)c[nH]1 55245089 SHEIWNJHXDRWIK-UHFFFAOYSA-N 332.363 4.087 0 50 EIAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3nccc(N)n3)cc12 71763414 PTGBGMMAQWLVMU-UHFFFAOYSA-N 347.397 4.267 0 50 EIAA Cc1cc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c2cccc(Cl)c2n1 71764832 BITPFHPJCAUSTG-AZQPONJRSA-N 340.854 4.315 0 50 EIAA c1ccc2[nH]c(-c3ccc(OCc4nc(CC5CC5)no4)cc3)nc2c1 72148508 KMIVKTVUWDBSQF-UHFFFAOYSA-N 346.390 4.144 0 50 EIAA Cc1c([C@@H](C)NC(=O)c2ccc[nH]2)cnn1-c1cccc2ccccc12 91848303 ZEBNRQUTUHBPPJ-CQSZACIVSA-N 344.418 4.153 0 50 EIAA O=C(OCCN(C1CCCCC1)C1CCCCC1)c1cccnc1 96026386 RURIPFHEYRQOCT-UHFFFAOYSA-N 330.472 4.206 0 50 EIAA Cc1cc2ncn(C[C@@H](O)CSCc3ccccc3C)c2cc1C 170631633 YGUJAUVIYVUXKA-GOSISDBHSA-N 340.492 4.256 0 50 EIAA CN(C)C(=O)c1ccc(CNc2ccc3c4c(cccc24)CC3)cc1 170652772 LSRGJUSXLNURNJ-UHFFFAOYSA-N 330.431 4.252 0 50 EIAA C[C@H](CC1CCCCC1)NC(=O)c1cccc(Oc2cnccn2)c1 193021482 BIQCUHPFRXURKQ-OAHLLOKOSA-N 339.439 4.358 0 50 EIAA C[C@@H](c1ccccc1)N(C)C(=O)C1(c2cccc(F)c2)CCOCC1 193023949 UGZXSPXGIHQQDH-INIZCTEOSA-N 341.426 4.094 0 50 EIAA CO[C@@H]1CCN(Cc2cccc(OCc3c(F)cccc3Cl)c2)C1 215088013 LUCZTZXMPHRMHA-MRXNPFEDSA-N 349.833 4.279 0 50 EIAA Cc1cc(-c2ccccc2)nc(CN2CCC[C@H]2c2nccs2)n1 244605581 FBGDRLPZAOZRRJ-KRWDZBQOSA-N 336.464 4.246 0 50 EIAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC[C@H]1c1ccncc1)C2 249517773 HRGAOXDSIXXYEJ-LJCCNALRSA-N 327.472 4.143 0 50 EIAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cccc2[nH]ccc12 253414862 YVFAIEOLAXLKIF-IBGZPJMESA-N 329.403 4.457 0 50 EIAA biogenic CN(Cc1ccncc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 348807738 JYPCLZQOMKZVJK-WMZOPIPTSA-N 334.822 4.226 0 50 EIAA C[C@@H](NC[C@H](CCO)c1ccccc1)c1cc(-c2ccccc2)no1 863982491 PDQUMURNBHKMTF-APWZRJJASA-N 336.435 4.158 0 50 EIAA CCn1cncc1[C@@H]1CCCCN1C(=O)c1cc(F)cc2ccoc12 936024898 RIIBHEPLTZRZER-INIZCTEOSA-N 341.386 4.156 0 50 EIAA CCOc1ccc(OCc2nc([C@@H]3CC34CCC4)n(C(C)C)n2)cc1 952971632 SWAYVNHYNHTSPW-KRWDZBQOSA-N 341.455 4.494 0 50 EIAA Cc1ccc2c(C)cc(NCCC(=O)NC3CCCCC3)nc2c1C 1704343445 XOTQQJSBEUNXEB-UHFFFAOYSA-N 339.483 4.411 0 50 EIAA CSc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccccc2C)cc1 2325738425 URTAGSXCCLADNZ-SJORKVTESA-N 329.509 4.219 0 50 EIAA Cc1cc(C)cc(NC(=S)N[C@@H](C)[C@H](O)c2ccc(F)c(C)c2)c1 2325823789 FCPGCFBXMWUPEE-KSSFIOAISA-N 346.471 4.159 0 50 EIAA CCc1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12 316915 BONVILYASODPQI-UHFFFAOYSA-N 334.799 4.495 0 50 EIAA CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 361954 REZVSENCPVJZNJ-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA O=C1c2ccccc2C(=O)N1c1ccc(-c2nc3ccccc3[nH]2)cc1 434992 NHOPRLYJCODXJT-UHFFFAOYSA-N 339.354 4.031 0 50 EIAA CCOC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 441053 ABDCMSHAFGSJQF-UHFFFAOYSA-N 349.386 4.034 0 50 EIAA Cc1cccc(C)c1NC(=S)NC(=O)c1oc2ccccc2c1C 452852 CVEFDRNAXBTMLU-UHFFFAOYSA-N 338.432 4.485 0 50 EIAA Cc1c(OCc2c(F)cccc2F)ccc2c3c(c(=O)oc12)CCC3 610052 TZFAMGHXTKOOOO-UHFFFAOYSA-N 342.341 4.447 0 50 EIAA Brc1ccc(CNCCc2c[nH]c3ccccc23)cc1 2501463 QTJRJEPSSNWTEU-UHFFFAOYSA-N 329.241 4.263 0 50 EIAA biogenic NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 2559838 ZPTXFEWSANANEN-IBGZPJMESA-N 349.817 4.188 0 50 EIAA CCOCCOc1cccc(C(=O)N[C@H](c2ccccc2)C(C)C)c1 2885239 VGDIEAZXLQNTRR-FQEVSTJZSA-N 341.451 4.229 0 50 EIAA Clc1ccccc1[C@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 15069357 YEWIRJOZHOFVQG-HNNXBMFYSA-N 339.826 4.380 0 50 EIAA Cc1cc2nc(C(C)C)cc(N(C)Cc3cccc4cnccc34)n2n1 72410351 BZPOHVCVGZQXEP-UHFFFAOYSA-N 345.450 4.346 0 50 EIAA O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[C@@H]2OCCC[C@@H]2C1 121581949 HHYPIMYFPZHHBA-BEFAXECRSA-N 344.455 4.041 0 50 EIAA CCO[C@@H](C)c1nc(COc2ccnc3cc(OC)ccc23)cs1 174124131 XDPJXTSYJWRNKH-LBPRGKRZSA-N 344.436 4.376 0 50 EIAA C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1ncc(C(C)(C)C)o1 177224992 XAEHIQXSIPTMQU-SECBINFHSA-N 349.481 4.134 0 50 EIAA Cc1nc(-c2cccc(NC(=O)c3ccc(O)cc3F)c2)oc1C 181162287 FJNRJGGFVHMOTF-UHFFFAOYSA-N 326.327 4.055 0 50 EIAA Cc1nccn1CC[C@@H](NC(=O)C1CCCCC1)c1ccccc1 219641020 ACRHZEIBRQKFJF-LJQANCHMSA-N 325.456 4.019 0 50 EIAA CN(Cc1nc(-c2ccncc2Cl)cs1)C(=O)c1ccccc1 225456436 NMOVNQGXQLKRQQ-UHFFFAOYSA-N 343.839 4.131 0 50 EIAA CC1CCN(CCOc2ccc(Br)cc2Cl)CC1 230549328 HOBCPYKSOTXDFN-UHFFFAOYSA-N 332.669 4.213 0 50 EIAA CCC(CC)n1ncc(C(=O)N[C@H]2COc3c(Cl)cccc32)c1C 252550332 SJKHEHFXISNUEY-INIZCTEOSA-N 347.846 4.070 0 50 EIAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC21OCCO1 257346288 XNJOZXWLEFEFEX-UZEMSBSCSA-N 334.500 4.133 0 50 EIAA O=C(C[C@H]1CCCN1C(=O)CCc1ccsc1)c1cccs1 267497368 FZTMXXDCLSKHRJ-CQSZACIVSA-N 333.478 4.006 0 50 EIAA COc1ccccc1[C@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 466005873 MQRNWYRVDIBTSW-HNNXBMFYSA-N 330.472 4.163 0 50 EIAA CCc1nc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)cs1 672566428 OKGKOCRTBUMRRB-CQSZACIVSA-N 332.473 4.083 0 50 EIAA O=C(Nc1ccc(-c2ncco2)cc1)C1([C@@H]2CCCCO2)CCC1 867124317 KXIMIIRXISLSMD-INIZCTEOSA-N 326.396 4.020 0 50 EIAA CC(C)(CC(=O)N1CC[C@H](OC(F)F)C1)Cc1ccc(Cl)cc1 952845310 QUIJOPBJELZLRB-AWEZNQCLSA-N 345.817 4.139 0 50 EIAA C[C@@H](N[C@H](c1ncc[nH]1)C1CCCCC1)c1nc(C(C)(C)C)no1 1775985317 OFSMQDCCQCWMTM-OCCSQVGLSA-N 331.464 4.062 0 50 EIAA Cc1cccc([C@H](O)CN[C@H](CCC(F)(F)F)c2cccnc2)c1 1875273104 UBDUBXDWEFNUQO-IAGOWNOFSA-N 338.373 4.097 0 50 EIAA Cc1ccc(NS(=O)(=O)c2cc(-c3ccccc3)no2)cc1Cl 1875359370 BHIVLARIKXNMFL-UHFFFAOYSA-N 348.811 4.104 0 50 EIAA Cc1cccc([C@@H]2[C@H](C)CN2C(=O)C[C@@H]2CC[C@H]3COCC[C@H]3C2)c1 1875405671 LPZWOXNPMFCRJA-SIXGNSJNSA-N 341.495 4.357 0 50 EIAA COc1cc(OC)c(CN[C@@H]2CCCC[C@@H]2C)cc1Br 183540 AREXKMGOXFFPOL-SMDDNHRTSA-N 342.277 4.135 0 50 EIAA C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 375446 KYCATQZSRHNATO-LLVKDONJSA-N 339.819 4.009 0 50 EIAA C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2cccnc2)no1 620994 ZGQIOUGNHVIKJJ-SNVBAGLBSA-N 346.184 4.034 0 50 EIAA Cc1nc2sc(C(=O)N(C)Cc3ccccc3)c(N)c2c(C)c1C 1425733 PINFADZCAHZEOT-UHFFFAOYSA-N 339.464 4.076 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 2742339 FMOMTHQRUUXMQH-VIFPVBQESA-N 345.267 4.178 0 50 EIAA Cc1c(Cl)ccc2c(C(=O)n3cccn3)cc(-c3ccccn3)nc12 6921226 DGSMEXVRVYQWFQ-UHFFFAOYSA-N 348.793 4.144 0 50 EIAA Cc1cc(S[C@H](C)C(=O)Nc2nccs2)nc2c(C)cccc12 12000145 IPIBICKKVZZNHT-GFCCVEGCSA-N 343.477 4.427 0 50 EIAA Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2c1 12655252 BJXZJXCYDJMYJD-UHFFFAOYSA-N 331.828 4.256 0 50 EIAA CCOc1ccc2c(c1)/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N2 12730652 BDWZKZLRIUWYJC-KHPPLWFESA-N 335.574 4.342 0 50 EIAA Fc1ccc([C@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cc1 13594703 BTUBPIFSIVWYBB-GOSISDBHSA-N 337.398 4.137 0 50 EIAA CC/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\C/C=C\CCCC(=O)O 27645229 BLWCDFIELVFRJY-ZTHYFZTDSA-N 336.472 4.158 0 50 EIAA endogenous,in-man CC/C=C\C[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CO[C@@H]1C2 43772230 XXHSKVZXPIQTFH-XOQFBHTCSA-N 348.483 4.112 0 50 EIAA in-vitro CCCCN(Cc1ccsc1)C(=O)c1ccc2cccnc2n1 55211785 UQYBZCPSPJLJSK-UHFFFAOYSA-N 325.437 4.134 0 50 EIAA Cc1nnc(-c2ccc3occ(-c4ccc([S@](C)=O)cc4)c3c2)o1 58631630 RCKYSTKYIVULEK-XMMPIXPASA-N 338.388 4.196 0 50 EIAA in-vitro CCOc1ccccc1-c1nccn1-c1cccc(N2CCCC2=O)c1 71388523 CJJBYHURRAOZDK-UHFFFAOYSA-N 347.418 4.065 0 50 EIAA Cc1csc([C@H](C)n2ccnc2-c2ccc(-c3cc[nH]n3)s2)n1 71498245 NUVOUFBWXUOUBA-NSHDSACASA-N 341.465 4.376 0 50 EIAA CC[C@@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn12)c1ccccn1 72433247 ASTRKPJBGFBVLP-MRXNPFEDSA-N 347.397 4.494 0 50 EIAA Fc1ccccc1CN1CC[C@H]2CN(Cc3ccc4[nH]ccc4c3)C[C@H]21 82115988 AEMFAUOVPSOGLJ-SIKLNZKXSA-N 349.453 4.013 0 50 EIAA CCc1c(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)csc1C 91713076 LQYXJPXJKZSBRV-MRXNPFEDSA-N 345.512 4.209 0 50 EIAA Cc1cccc([C@H](C)OC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1 170632953 FIXDZUDJLFNRFH-AWEZNQCLSA-N 349.434 4.381 0 50 EIAA O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1Cl 239377569 OCGIXRYPQDPEGM-DTTOXWODSA-N 341.838 4.356 0 50 EIAA Cc1cc(C)c(NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)c(C)n1 253425331 SNDCLNKVDIYTKW-UHFFFAOYSA-N 337.345 4.088 0 50 EIAA COc1ccc([C@H](C)CNc2ccc(C(=O)NC(C)C)cc2C)cc1 253428078 ORWLQRMCRMFAMI-MRXNPFEDSA-N 340.467 4.357 0 50 EIAA CCc1nc(C)sc1C(=O)N1CCCC[C@H]1CCc1ccccn1 299760717 JMTJUICBAWMCDQ-INIZCTEOSA-N 343.496 4.036 0 50 EIAA COCC[C@H](NCc1cncs1)c1ccc(Cl)c(Cl)c1 341269649 MBIKWYRLDBVKOF-AWEZNQCLSA-N 331.268 4.317 0 50 EIAA CCn1c(SCc2coc(C)n2)nnc1-c1cccc(Cl)c1 408518683 UNTQYEJLFRXVQF-UHFFFAOYSA-N 334.832 4.207 0 50 EIAA Cc1cccnc1[C@@H](C)NC(=O)c1cc2cccc(Cl)c2n1C 426420504 XSKXMCDOZNFCMQ-GFCCVEGCSA-N 327.815 4.026 0 50 EIAA O=C(O)[C@@H]1CCN(C(=O)c2cc3ccccc3s2)[C@H]2CCCC[C@H]21 659191080 WNZDXYXSPLWCCO-ZNMIVQPWSA-N 343.448 4.007 0 50 EIAA Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)no1 673722016 RNYJQENSIQGTFO-SFHVURJKSA-N 335.407 4.048 0 50 EIAA Cn1cnc2cccc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)c21 863863029 RPAAEPFUYGJLAV-UHFFFAOYSA-N 349.409 4.185 0 50 EIAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C(=O)Nc1cnn(C(C)C)c1 1529172098 IGRREIAHXQAJFP-MRXNPFEDSA-N 336.439 4.312 0 50 EIAA Oc1ncnc2cnc(N[C@H](Cc3ccccc3)c3ccccc3)cc12 1875258668 BYTJEBOKEDGCMP-GOSISDBHSA-N 342.402 4.126 0 50 EIAA O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 71026 UKZLKDOQCWALRX-UHFFFAOYSA-N 341.164 4.099 0 50 EIAA Cc1sc2ncn(-n3c(C)ccc3C)c(=O)c2c1-c1ccccc1 91920 JBULXDYQUXIRHU-UHFFFAOYSA-N 335.432 4.163 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)cc1 456764 PKRQGNNLTBGPEN-UHFFFAOYSA-N 342.464 4.125 0 50 EIAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2c3c(cccc13)CC2 456952 ITBBODYELCBJKY-PKNBQFBNSA-N 348.427 4.058 0 50 EIAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Br)cc1C 464278 YFWJXEWWJLBUHS-ZDUSSCGKSA-N 348.240 4.472 0 50 EIAA O=C(COc1ccccc1Cl)c1ccc(Br)cc1 473588 QPPKQOYYKKVJJB-UHFFFAOYSA-N 325.589 4.364 0 50 EIAA CCn1cc([C@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)c(C)n1 609137 AGGGFGOPVUCWBR-VIFPVBQESA-N 340.855 4.052 0 50 EIAA COC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Cl 1058896 KJPATKMEQYAGFH-UHFFFAOYSA-N 339.178 4.424 0 50 EIAA CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 1061723 QAGFZXKLDPQCHL-UHFFFAOYSA-N 338.338 4.296 0 50 EIAA CC1=C(C)C[C@@H](C(=O)c2ccc(Br)cc2)[C@H](C(=O)O)C1 2304899 WKBLOZSJOWBALR-ZIAGYGMSSA-N 337.213 4.079 0 50 EIAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)c1C 6702753 UMTXPVDDXLBOPS-NSHDSACASA-N 347.846 4.254 0 50 EIAA CSc1ncc(Cl)c(C(=O)Nc2cc(Cl)cc(Cl)c2)n1 6730015 BYOUXKCTJRYTKG-UHFFFAOYSA-N 348.642 4.411 0 50 EIAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1Cl 6819398 CJGYRTSDZAVFNM-OAHLLOKOSA-N 349.858 4.197 0 50 EIAA CCCC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12056036 LHVGTTPGYVOHLV-AWEZNQCLSA-N 335.856 4.288 0 50 EIAA COc1ccccc1CN1CCN(Cc2ccc3ccccc3c2)CC1 19360158 NGGUKIULEVMQPF-UHFFFAOYSA-N 346.474 4.166 0 50 EIAA CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 44935314 YOXQVQVQZXMEFE-OAQYLSRUSA-N 336.479 4.166 0 50 EIAA CCc1cc(Br)cc(CC)c1I 59796756 QNPKMLZHEDDJAX-UHFFFAOYSA-N 339.014 4.179 0 50 EIAA Cc1noc(-c2ccnc(-c3cccc([C@H](C)N4CCCC4)c3)c2)n1 65526105 ROWSEBVEBRZIPT-AWEZNQCLSA-N 334.423 4.264 0 50 EIAA Cc1oc(-c2ccccc2)nc1[C@@H]1CC(=O)Nc2cc3[nH]ncc3cc21 67724737 JBBZFGXHEVMUBT-OAHLLOKOSA-N 344.374 4.000 0 50 EIAA Cn1c(C(=O)N2CCCC[C@@H]2c2ccccn2)ccc1-c1ccccc1 72447984 KMECDHCZTIDQJF-HXUWFJFHSA-N 345.446 4.455 0 50 EIAA CCCC[C@H]1C=CCN1C(=O)c1ccc(CN2CCCCC2)cc1 95391104 MNDJGNGUUCJSLI-FQEVSTJZSA-N 326.484 4.243 0 50 EIAA Brc1ccc2c(C3=CCC4(CC3)OCCO4)c[nH]c2c1 169677495 KTMSKJVZTYGQMW-UHFFFAOYSA-N 334.213 4.241 0 50 EIAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1csc2ccccc12 190430625 VBKKHBVNXCQSJW-WMZOPIPTSA-N 341.480 4.128 0 50 EIAA CN(C)Cc1ccc([C@H]2CCCN2Cc2ccncc2Cl)cc1 215648569 MLTCTFXQUXSSEC-LJQANCHMSA-N 329.875 4.134 0 50 EIAA Cc1cccnc1C[C@H](C)N(C)Cc1ccc(CN2CCCC2)s1 215856146 DZCQISWZTDPXBZ-KRWDZBQOSA-N 343.540 4.110 0 50 EIAA CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)c2ccccc2)c1 230138502 PTLARXSNPDHMNX-QGZVFWFLSA-N 325.408 4.304 0 50 EIAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1nc2c(s1)CCCC2 242292549 YNENUNKJWJQQIM-NSHDSACASA-N 347.406 4.217 0 50 EIAA COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 254290342 MYILAUURZUNHGP-AWEZNQCLSA-N 346.423 4.186 0 50 EIAA biogenic,in-vitro CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(C(=O)O)ccc4[C@@H]3CC[C@]12C 261494742 BQUPETXJTSLVRT-MERXZDIISA-N 342.435 4.173 0 50 EIAA Cc1noc(C)c1[C@H](C)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299744315 OEOXQALBJZJIHR-XNJJOIOASA-N 339.395 4.071 0 50 EIAA Cc1ccc(-c2cccc(NC(=O)N3CCC[C@]4(CCNC4)C3)c2)cc1 299755038 AKRUJWLZNYLVEN-JOCHJYFZSA-N 349.478 4.269 0 50 EIAA CC(C)CN(C)C(=O)c1cccc(-c2ccc(Cn3ccnc3)cc2)c1 426421001 AGPUYGCXPKOWFD-UHFFFAOYSA-N 347.462 4.326 0 50 EIAA Cc1cnc(C)c(-c2ccc(C(=O)N(C)[C@@H](C)c3ccco3)cc2)n1 426662011 LEWWBUMHQLMJMA-HNNXBMFYSA-N 335.407 4.187 0 50 EIAA CC(C)C[C@@H](NC(=O)N1CCO[C@](C)(C2CC2)C1)c1cccs1 663770860 DMRZAKIVNWZNPV-QAPCUYQASA-N 336.501 4.046 0 50 EIAA Cc1ccccc1[C@H](NC(=O)c1cccc([S@@](C)(=N)=O)c1)C(C)C 1775992283 KWQJARVZFVQSFL-KOSHJBKYSA-N 344.480 4.158 0 50 EIAA COc1ccc(-c2cccnc2)cc1NC(=O)C1(C(F)(F)F)CC1 1775998188 BDBLEVQIPNPDQT-UHFFFAOYSA-N 336.313 4.038 0 50 EIAA O=C(C[C@@H]1Cc2ccccc2N1)Nc1cccc(-c2nccs2)c1 1875332580 ZOCLANKLHCPILJ-INIZCTEOSA-N 335.432 4.176 0 50 EIAA CCOC(=O)c1cc2c(C)n(-c3ccc(C)cc3)c(C)c2ccc1=O 314536 ZWXHZDQAMSQSBG-UHFFFAOYSA-N 335.403 4.093 0 50 EIAA COc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 470796 NVPDJJBHRFWJQO-CYBMUJFWSA-N 331.437 4.132 0 50 EIAA Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)Cc1ccccc1 471180 FOFVOROLPTVGNS-UHFFFAOYSA-N 334.375 4.022 0 50 EIAA C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 475228 KHOKSQNHOLYGLN-LSDHHAIUSA-N 331.843 4.245 0 50 EIAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)OCO2 1053895 LQRPIICKPQJNEI-UHFFFAOYSA-N 343.688 4.340 0 50 EIAA Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1C 2698862 ATQAXQHUBRLFHM-UHFFFAOYSA-N 334.423 4.062 0 50 EIAA CN(CCOCCOc1ccc2ccccc2c1)Cc1ccccc1 2823023 NUPKHJHZBWQOOF-UHFFFAOYSA-N 335.447 4.367 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)N3C[C@H](C)O[C@H](C)C3)sc2c1 16603705 VONLGAFYRRFQAJ-PHIMTYICSA-N 337.872 4.367 0 50 EIAA CCc1noc(CN(C(=O)c2oc3cc(C)ccc3c2C)C(C)C)n1 20863144 IIUFXPYARREKMT-UHFFFAOYSA-N 341.411 4.046 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1cccs1 22461587 ZXYHYAHYSGLNDD-UHFFFAOYSA-N 337.360 4.310 0 50 EIAA COc1ccccc1-c1ccc(NCc2cccc3[nH]ccc23)nn1 71419252 FEEYXRNXOSCPMI-UHFFFAOYSA-N 330.391 4.246 0 50 EIAA CC[C@@H](Nc1nc(C2CCCC2)nc2c1CNC2)c1cc(C)ccn1 72145499 WZLLKTDSAMEXSP-MRXNPFEDSA-N 337.471 4.004 0 50 EIAA Cc1cccc(OC2CN(Cc3cnc(C4CCCCC4)nc3)C2)c1 72154376 WJDCIFLMYPWWCY-UHFFFAOYSA-N 337.467 4.096 0 50 EIAA O=C(NCC[C@H]1CCCOC1)c1ccc(-c2ccccc2Cl)o1 91950693 NIXRVHBRHCOMAY-CYBMUJFWSA-N 333.815 4.147 0 50 EIAA Cc1cccc(-c2n[nH]cc2C(=O)N(Cc2ccccn2)CC(C)C)c1 97819564 LIPLCBWZQDDQPM-UHFFFAOYSA-N 348.450 4.079 0 50 EIAA Fc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)cc1F 104276700 PAVUUPCGSDKDRN-PMACEKPBSA-N 334.454 4.194 0 50 EIAA Cc1cc(C)nc(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1 125990412 FXPKIHWMZWVYHX-MRXNPFEDSA-N 338.455 4.181 0 50 EIAA CCC(CC)c1cc(CNC(=O)[C@@H](c2ccccc2)C2CC2)on1 156167978 BNUIUZSINFFOBV-IBGZPJMESA-N 326.440 4.388 0 50 EIAA Fc1ccc2c(c1)[C@@H](NCc1nccn1CCCc1ccccc1)CC2 164342967 CYJRIUVCTNPSFK-NRFANRHFSA-N 349.453 4.432 0 50 EIAA Cc1cc(OC(F)F)c(C(=O)Nc2cc(CC(C)(C)C)n[nH]2)s1 170639091 XPHCDLSAKOSAHP-UHFFFAOYSA-N 343.399 4.222 0 50 EIAA CN(Cc1cnc2ccccc2c1)C(=O)c1cccc(Cl)c1F 223772045 TVZDXWHVYRYZPN-UHFFFAOYSA-N 328.774 4.300 0 50 EIAA CC(C)N1CC[C@H](Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)C1=O 230222203 JRBOIWIRAPCMQT-UXPWSPDFSA-N 344.499 4.203 0 50 EIAA CNC(=O)c1ccc(CN2CCCCC[C@@H]2c2cccc(F)c2)cc1 244893037 YUCOABVAUCZEJR-HXUWFJFHSA-N 340.442 4.303 0 50 EIAA c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](NCCc2cccs2)C3)cc1 248408637 CFQKSPRNMVTUEI-LDLYASANSA-N 326.509 4.076 0 50 EIAA FC(F)(F)C1CCC(NC[C@H]2CCO[C@@H]2c2ccccc2)CC1 328632199 RSPVNUWQHDKOHZ-RDHHWEPZSA-N 327.390 4.475 0 50 EIAA Oc1cccc2c1CCC[C@@H]2NCc1cccc(OC2CC2)c1F 657448900 XKPOWDLTKAAQEJ-KRWDZBQOSA-N 327.399 4.240 0 50 EIAA CCOc1ccc([C@@H](C)NC2CCN(Cc3ccco3)CC2)cc1F 1506398164 HSYSOKXECXBBJD-OAHLLOKOSA-N 346.446 4.133 0 50 EIAA Cc1ccc(-c2nc(-c3ccn(C(C)(C)C)c3)n([C@H]3CCOC3)n2)o1 1772807569 PHWYFNGDBYNAAA-HNNXBMFYSA-N 340.427 4.031 0 50 EIAA CC(C)Oc1cnccc1C(=O)Nc1ccc(-c2nccs2)cc1 2325741926 YCFPJYIQZRAVJS-UHFFFAOYSA-N 339.420 4.245 0 50 EIAA COc1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1 456051 FPKFCNMVFCWMQH-UHFFFAOYSA-N 340.404 4.080 0 50 EIAA Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1C 482322 DYPGACLUSSXGMD-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA C[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 969864 CYXHKFCPUQJJSD-BDJLRTHQSA-N 343.224 4.339 0 50 EIAA O=Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 2026094 KNFDAKBRGAXZJE-QGZVFWFLSA-N 345.398 4.047 0 50 EIAA Cc1sc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1C 2615847 ZLFBJEAVHIQAFF-UHFFFAOYSA-N 339.247 4.430 0 50 EIAA CCCCCC(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 2852669 YNSGCRAYXDSTFD-UHFFFAOYSA-N 347.528 4.316 0 50 EIAA Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)c1 2871309 ZBVPQQXOXXEBIK-UHFFFAOYSA-N 330.387 4.500 0 50 EIAA CCCNC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 2874553 LVUDVNSJTNZWKM-UHFFFAOYSA-N 341.798 4.197 0 50 EIAA CCCCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 5063833 UHMYZTNYPOXERJ-UHFFFAOYSA-N 337.375 4.224 0 50 EIAA Cc1ccc(-n2ncc3c(NCCc4ccccc4)ncnc32)cc1C 8583037 USUJCKNTBVLOIZ-UHFFFAOYSA-N 343.434 4.087 0 50 EIAA Cc1ccc(CN[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)o1 12836698 UHIZUIDDHDYUJC-HNNXBMFYSA-N 342.487 4.306 0 50 EIAA CCOc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1O 16677446 CSPYLAZFKCBHQV-PTNGSMBKSA-N 341.388 4.032 0 50 EIAA CC(C)(C)CN1CCC[C@@H]1c1ccc(C(=O)NCC(F)(F)F)s1 23251056 QZOBGVYNOOWBOS-LLVKDONJSA-N 348.434 4.223 0 50 EIAA C[C@@H](Cc1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 23280606 WJYIYVYHENNDET-LBPRGKRZSA-N 337.341 4.155 0 50 EIAA CCc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc[nH]1 67654467 FOGAIHITSNBFHL-UHFFFAOYSA-N 333.391 4.082 0 50 EIAA CC(C)c1ccc(NCc2cccnc2N2CCCCCCC2)nn1 67821690 TVUDLHZTQFTOTO-UHFFFAOYSA-N 339.487 4.378 0 50 EIAA CC(C)(C)N(Cc1ccccc1)C[C@H](O)Cc1ccc2ccccc2n1 71767416 ININYCUHIGCQCT-OAQYLSRUSA-N 348.490 4.439 0 50 EIAA Cc1ccsc1-c1nccn1C[C@H](c1ccco1)N1CCCC1 77358436 KOPOGCJMZSVBEN-OAHLLOKOSA-N 327.453 4.350 0 50 EIAA CSC(=S)O[C@H]1CC2CC(C2)C[C@@H](OC(=S)SC)C1 101141741 OFEXTOCXWDSMPG-HWACXVBKSA-N 336.569 4.263 0 50 EIAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(Br)cc1)C2 101932771 KNYLDGNGWUERDH-JDFRZJQESA-N 336.273 4.394 0 50 EIAA O=C(Cn1ncc2ccccc21)Nc1cccc(NC2CCCC2)c1 117977301 MCOYVBBQAJOJDG-UHFFFAOYSA-N 334.423 4.030 0 50 EIAA CCO[C@H]1C[C@H](Nc2nccc(C(F)(F)F)n2)C12CCCCC2 170639420 JODIFRYUSYKERB-STQMWFEESA-N 329.366 4.035 0 50 EIAA CCCOc1ccccc1NC(=O)N1CCO[C@H](c2cccs2)C1 178056884 SEFZTHQGTIKHJZ-INIZCTEOSA-N 346.452 4.142 0 50 EIAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 183798524 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O=C(NCc1ccccn1)c1ccc(-c2cccc3cccnc23)cc1 367020909 KNCFRKWVZRCTQI-UHFFFAOYSA-N 339.398 4.227 0 50 EIAA O=C(c1cc(-c2cccs2)n(-c2ccccc2)n1)N1CC[C@H]1C1CC1 452496246 GEVKRDDXMKPXJT-KRWDZBQOSA-N 349.459 4.225 0 50 EIAA C[C@H](c1cccs1)N(C)C(=O)NCCCSCc1ccco1 584899006 HRTROGNWNOLMOX-CYBMUJFWSA-N 338.498 4.367 0 50 EIAA O=C(Nc1ccc(C2CCC2)cn1)N1CCC[C@@H]1c1ccc(O)cc1 931575078 TUGAMXHSWIPUIE-GOSISDBHSA-N 337.423 4.424 0 50 EIAA Cc1ccccc1-c1ncc(CN2CCC[C@H](c3cc[nH]n3)C2)s1 1529154095 HGSHHJDFPQRHTM-HNNXBMFYSA-N 338.480 4.221 0 50 EIAA CN(C)c1ccc(NCc2cc(-c3ccccc3)n[nH]2)cc1Cl 1875311045 LDAPYLXWLUODRR-UHFFFAOYSA-N 326.831 4.408 0 50 EIAA CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1cccc2cc[nH]c12 1875318961 NIRUVRHMHALUDB-OTWHNJEPSA-N 334.419 4.245 0 50 EIAA C[C@H]1C[C@@H](N=c2nc(C(F)(F)F)c3c([nH]2)CCCC3)CCC1(C)C 1875357508 JUFGSOJIYKHNHL-RYUDHWBXSA-N 341.421 4.423 0 50 EIAA CC(C)=CCCc1nc(C2CCOCC2)nn1Cc1ccccc1 2100539384 FYGNJCURCMLMTE-UHFFFAOYSA-N 325.456 4.119 0 50 EIAA Cc1[nH]c2ncnc(NC(=O)c3oc4c(F)cccc4c3C)c2c1C 2325731976 AGOLLNWRIQBHDJ-UHFFFAOYSA-N 338.342 4.021 0 50 EIAA Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3C)C2=O)cc1 121632 QIYCKIAOSKFGTP-UHFFFAOYSA-N 340.810 4.048 0 50 EIAA CC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 258953 ZFTNMESEAIJABG-UHFFFAOYSA-N 338.190 4.214 0 50 EIAA Cc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 311263 XQCNJHJNIJVHHV-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA Cc1cccc(C)c1NC(=S)NC(=O)Cc1ccc(Cl)cc1 331202 PGEYGODWOONOCB-UHFFFAOYSA-N 332.856 4.013 0 50 EIAA O=c1c2ccc(Cl)cc2ncn1Cc1ccc(Cl)c(Cl)c1 390088 JJLJEBYRENBDEC-UHFFFAOYSA-N 339.609 4.405 0 50 EIAA Cc1nn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1Cl 426677 JSIJXOZJAMHHCX-UHFFFAOYSA-N 342.708 4.211 0 50 EIAA O=C(OCc1c(F)cccc1Cl)c1ccc(Br)o1 620971 LAJMEEZBJHMJLI-UHFFFAOYSA-N 333.540 4.192 0 50 EIAA Cc1cc(O[C@H](C)C(=O)N2CCc3ccccc32)cc(C)c1Cl 1460641 RZOLZJNPNUMYIM-CQSZACIVSA-N 329.827 4.313 0 50 EIAA O=C(c1cc2ccccc2o1)N1CCN(c2cccc(Cl)c2)CC1 2632630 QTVIGFWCKYZSED-UHFFFAOYSA-N 340.810 4.049 0 50 EIAA Fc1ccccc1NC(=S)Nc1ccc(Br)cc1 8682445 OTFSLGRMDQRXQJ-UHFFFAOYSA-N 325.206 4.397 0 50 EIAA CC(C)(Oc1ccc(F)cc1F)C(=O)Nc1cc(C(C)(C)C)on1 12381572 AGLGBFOXGSDFJD-UHFFFAOYSA-N 338.354 4.046 0 50 EIAA Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(C(C)(C)C)on2)c1 13331297 XXSCXWMQMSMHTR-LLVKDONJSA-N 336.819 4.340 0 50 EIAA C[C@@H](c1ccccc1)c1cc(C(=O)N(C)Cc2ccsc2)on1 15069191 UFEVAVMTVMUXHG-ZDUSSCGKSA-N 326.421 4.160 0 50 EIAA Cc1nc(C)c(-c2cccc(-c3ccn(CCCN(C)C)n3)c2)s1 19940102 MRGHAMWOMBBAOP-UHFFFAOYSA-N 340.496 4.242 0 50 EIAA COc1ccccc1CN(C(=O)Cc1ccc(SC)cc1)C1CC1 55182914 ONDZKRMFFTYNMU-UHFFFAOYSA-N 341.476 4.151 0 50 EIAA CC(C)[C@H](C)N(Cc1ccco1)C(=O)Cc1ccc(O)c(Cl)c1 55227099 UFUDXEZTLJHLSA-ZDUSSCGKSA-N 335.831 4.254 0 50 EIAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(CC1CCC1)C2 67919935 DZIVZZIHNFGWMF-UHFFFAOYSA-N 344.842 4.102 0 50 EIAA Oc1cccc(-c2ccc(-c3nc(-c4ccccc4F)no3)cn2)c1 72146902 QDJLZZIPJLZHTM-UHFFFAOYSA-N 333.322 4.310 0 50 EIAA c1ccc(CCCc2noc(-c3ccc(-c4cccnc4)nc3)n2)cc1 72162600 NLFPGSONRULDSI-UHFFFAOYSA-N 342.402 4.369 0 50 EIAA COc1cccc([C@H]2CCCN2C(=O)c2ccc(CSC)o2)c1 77419571 PVUHFIKJRHTVNM-MRXNPFEDSA-N 331.437 4.129 0 50 EIAA Cc1c(-c2nc(-c3ccc4nc[nH]c4c3)no2)oc2c(F)cccc12 77457475 JFEHETYJLILPCO-UHFFFAOYSA-N 334.310 4.474 0 50 EIAA C[C@H](Cn1cc(-c2ccccc2-c2ccccc2)nn1)n1ccnc1 91586640 QJQDTGIEDSPHPF-MRXNPFEDSA-N 329.407 4.070 0 50 EIAA CC(C)(C)c1nc(CNc2ccc3c(c2)CCCC(=O)N3)cs1 130510289 IKJKVWSPIBZKMN-UHFFFAOYSA-N 329.469 4.328 0 50 EIAA CC(C)COc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 152515380 AQUAVOBLQFXVGK-UPCLLVRISA-N 345.508 4.310 0 50 EIAA COc1ccc([C@H](C)CN[C@H](c2ccccc2)C(C)(C)CO)cc1 242302222 YQOODWXTJVWMFQ-OXQOHEQNSA-N 327.468 4.148 0 50 EIAA O=C(NC[C@H]1CC[C@H](CO)CC1)c1ccccc1-c1ccc(F)cc1 244673732 HUQNXVAJMXOBEY-WKILWMFISA-N 341.426 4.021 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[C@H]1C1CCCC1 252515310 IHNAWVBPGOALLC-FGTMMUONSA-N 336.520 4.192 0 50 EIAA Cn1ccc([C@@H](NCc2ccc3occc3c2)c2ccc(F)cc2)n1 375746164 XEXGTZIRINLNHY-FQEVSTJZSA-N 335.382 4.185 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)Nc1ccc(F)cc1OC(F)F 408512992 QQLBPOLKHLJXJU-UHFFFAOYSA-N 341.333 4.019 0 50 EIAA CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)s2)C1 864097153 OGRPZKRFTCYWNW-CQSZACIVSA-N 334.872 4.113 0 50 EIAA Cc1cc(F)ccc1N1CCC(N[C@H](C)c2ccc(O)cc2)CC1 1506423718 HJNYDRZDQJYKFH-OAHLLOKOSA-N 328.431 4.159 0 50 EIAA CSCCCN(C(=O)[C@H]1Cc2c(Cl)cccc21)c1cccnc1 2325760770 WIVNRHDINVYJBM-INIZCTEOSA-N 346.883 4.161 0 50 EIAA COc1ccc(Br)cc1COC(=O)/C=C/c1ccccc1 2534527 SXWPEKVFIWPOKB-JXMROGBWSA-N 347.208 4.214 0 50 EIAA Cc1ccc(C2(c3ccc(C)cc3)C(=O)NCc3ccccc32)cc1 4188897 WFKIVFGLFJMMGG-UHFFFAOYSA-N 327.427 4.268 0 50 EIAA FC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1 4980521 SQJJIPWVYJPFNA-UHFFFAOYSA-N 334.385 4.070 0 50 EIAA CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(OC)c2)C1 6119488 BIUSQWHQAXSDMA-LLVKDONJSA-N 330.453 4.106 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 13614103 VNYMENJLDACZOZ-UHFFFAOYSA-N 340.423 4.322 0 50 EIAA CC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1C 13956557 YFOGJSUFLNJFKZ-UHFFFAOYSA-N 326.440 4.108 0 50 EIAA O=C(Cc1noc(-c2ccc(Cl)cc2)n1)Nc1ccccc1Cl 16579752 GFUHJMZQFPTCLO-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA Nc1sc2c(c1C(=O)Nc1ccc(Cl)c(Cl)c1)CCC2 17066924 GJPCEJVOQBDFKN-UHFFFAOYSA-N 327.236 4.378 0 50 EIAA Fc1cccnc1-c1cccc(-c2ccn(Cc3ccncc3)n2)c1 20857042 XPELCQQEXYRRKQ-UHFFFAOYSA-N 330.366 4.195 0 50 EIAA COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)c1 95374604 QNJPOXQCDPYXDQ-HXUWFJFHSA-N 347.418 4.063 0 50 EIAA C[C@@H](NC(=O)N1CCC(c2ccncc2)CC1)c1cccc(F)c1F 190629130 NZYZSKSYVJMHGO-CYBMUJFWSA-N 345.393 4.010 0 50 EIAA CN(Cc1cccc2cnccc12)C(=O)Cc1c(F)cccc1Cl 219187740 LFGZCSLMULELDB-UHFFFAOYSA-N 342.801 4.228 0 50 EIAA CC[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ncccc1C 220737815 HBEYPPBEAOAAHN-OAHLLOKOSA-N 336.357 4.219 0 50 EIAA CC(C)(C)OC(=O)N1CC=C(c2cc(Cl)nc(Cl)c2)CC1 225150610 YKCPWKZRCSVCKE-UHFFFAOYSA-N 329.227 4.413 0 50 EIAA Cc1ccncc1CN(C)C(=O)c1ccccc1Nc1ccccc1 225436595 KMKMOKYOVUDKSA-UHFFFAOYSA-N 331.419 4.406 0 50 EIAA Brc1cc(I)cc2ccccc12 238055585 OBIWCDQIVBSZHF-UHFFFAOYSA-N 332.966 4.207 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(-c2ccccc2)cs1 263525847 UAKUGYRBEPQKEY-XIRDDKMYSA-N 342.464 4.028 0 50 EIAA Cc1cccnc1NCCNC(=O)Nc1ccccc1SC(C)C 299768891 QUGQNVLJIBNZGG-UHFFFAOYSA-N 344.484 4.124 0 50 EIAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@H]1CCO[C@H](C)C1 408513817 HBPJBMWDCWXQGG-MDZLAQPJSA-N 342.266 4.254 0 50 EIAA C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1ncccc1C(=O)O 652429169 ADLXOYYRZREAJT-CHWSQXEVSA-N 332.831 4.057 0 50 EIAA CC(C)(C)c1ccc([C@@H]2CCCN2c2cc(Cl)nc(N)n2)cc1 917084907 DOKFEADLDVMQNZ-AWEZNQCLSA-N 330.863 4.351 0 50 EIAA C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCN2 926148566 WPQQWADUVYHGHM-QRWLVFNGSA-N 335.451 4.455 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N[C@@H](C)c2nc(C)sc2C)cc1 952979642 ORRVDMBMYMHHBL-LBPRGKRZSA-N 331.485 4.136 0 50 EIAA C[C@@H](c1cc(F)ccc1F)N1CCC(CN)(c2ccccc2)CC1 1875316844 IZPQMZQAUQEFQS-HNNXBMFYSA-N 330.422 4.018 0 50 EIAA COc1ccc2cc(/C=C/C(=O)O[C@@H](C)Cc3cccnc3)ccc2c1 2325725145 PQTIYOWAQJHREJ-DHINHOHASA-N 347.414 4.431 0 50 EIAA O[C@@H](CNCc1cccc2ccccc12)Cc1ccc(Cl)cc1 2325842453 ZECULSOOZGBHJK-LJQANCHMSA-N 325.839 4.186 0 50 EIAA O=C(N[C@@H](Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccccc1 390233 HYTCPXYITPLCKV-FQEVSTJZSA-N 341.414 4.277 0 50 EIAA O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc2c(c1)OCO2 397336 BONKUOGXVMOKDE-UHFFFAOYSA-N 340.162 4.471 0 50 EIAA CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)c1ccc(F)cc1 464962 DWPDSYQZBXEOQX-UHFFFAOYSA-N 340.350 4.065 0 50 EIAA C[C@H](NC(=O)/C=C/c1ccc(Br)cc1)c1ccccc1 476675 NSKLYDSDBJZOBQ-SRXBQZRASA-N 330.225 4.340 0 50 EIAA O=C1c2ccccc2C(=O)N1CC[C@@H](c1ccccc1)c1ccco1 545280 YPKZONTUWJSOQS-INIZCTEOSA-N 331.371 4.098 0 50 EIAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NC1CCCCCC1 573707 WIUZVHSQCTVLQU-UHFFFAOYSA-N 338.451 4.073 0 50 EIAA CCCCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 2760547 JYDSDXAPZJQOCD-UHFFFAOYSA-N 329.465 4.171 0 50 EIAA COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Cl)c1O 4845507 FROHAWCXRGHWRW-FNORWQNLSA-N 327.767 4.478 0 50 EIAA COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@@H]23)cc1 16651040 NCAZXJBAFALTTE-JCGIZDLHSA-N 343.810 4.371 0 50 EIAA CCc1sc(C(=O)O)cc1-c1ccc([C@H](C)N2CCOCC2)cc1 67956144 POITXNVBNKJRQS-ZDUSSCGKSA-N 345.464 4.069 0 50 EIAA Cc1nc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cs1 71748969 KYHQDOACAOJKLP-HNNXBMFYSA-N 332.444 4.076 0 50 EIAA CN(CCn1ccc2ccccc21)C(=O)c1cc(-c2ccccc2)on1 77459995 WDXIWBIYUOJKHM-UHFFFAOYSA-N 345.402 4.069 0 50 EIAA Cc1nc(CC(=O)Nc2nc3ccccc3n2C2CCCC2)cs1 133847281 VMLDFOSESNYPCA-UHFFFAOYSA-N 340.452 4.098 0 50 EIAA Cc1ccc(C)c(C[S@](=O)Cc2csc([C@@H]3CCCO3)n2)c1 134274251 UJMFSDMSAQSWCD-KSFYIVLOSA-N 335.494 4.060 0 50 EIAA Cc1ccc(C(=O)Nc2sc(N)nc2-c2ccc(F)cc2)cc1 170623675 PTZFGJPSYNPGNC-UHFFFAOYSA-N 327.384 4.092 0 50 EIAA Cc1cc(C(F)(F)F)ccc1CNc1cccc2c1OCC[C@@H]2O 191083876 SUNTUFLOAMEUGM-INIZCTEOSA-N 337.341 4.442 0 50 EIAA O=C(Nc1ccc(SC(F)F)cc1)c1c(F)ccc(O)c1F 241862509 SQRROJBMCLAQGJ-UHFFFAOYSA-N 331.290 4.237 0 50 EIAA CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1sccc1SC 271421231 FJBARZIPNQGGJY-IINYFYTJSA-N 339.457 4.115 0 50 EIAA Fc1ccc(-c2csc(N3CCC[C@H](N4CCCC4)CC3)n2)cc1 301602573 KJZVTQVGXJYUOJ-KRWDZBQOSA-N 345.487 4.404 0 50 EIAA C[C@@H](c1ccc(-c2ccc(-c3nccn3C)nn2)cc1)N1CCCCC1 426379763 PICZOVYJLIEMIR-INIZCTEOSA-N 347.466 4.091 0 50 EIAA O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1[C@H]2CCC[C@H]21 480528158 OBERLKIETFLNQH-RUUBBZJKSA-N 343.470 4.446 0 50 EIAA Cc1ccc(OCc2nn3c(CSC(C)C)nnc3s2)cc1C 1776110960 AODLECQBSQNURO-UHFFFAOYSA-N 348.497 4.023 0 50 EIAA CC(C)SCc1nnc2sc(CCCc3ccccc3)nn12 1776111050 QHKAXPICMNMXTG-UHFFFAOYSA-N 332.498 4.003 0 50 EIAA O=C(c1c[nH]c2cc(Cl)ccc12)N1CC=C(c2ccccc2F)C1 1875258236 LNXLBASZFCUEOI-UHFFFAOYSA-N 340.785 4.500 0 50 EIAA CC1(C)Cc2cccc(-c3noc(/C=C/c4cncs4)n3)c2O1 1875339450 JYPQSPRIEHSPHV-VOTSOKGWSA-N 325.393 4.077 0 50 EIAA CC(C)Cc1ccccc1CN1CC[C@H](CO)[C@@H](c2ccccc2)C1 1875344367 IMOYNSYYMKEUGZ-DHIUTWEWSA-N 337.507 4.483 0 50 EIAA O=C(Nc1ccccc1)N1CC[C@]2(c3ccccc3)[C@H](C1)C2(F)F 2325756059 BUJSEJOGEHZFCY-WMZOPIPTSA-N 328.362 4.127 0 50 EIAA O=C(Oc1c(Cc2ccccc2)c(=O)oc2ccccc12)c1ccco1 302387 KIFDMTASJJOBGB-UHFFFAOYSA-N 346.338 4.196 0 50 EIAA CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1 1851171 DZLOHEOHWICNIL-QGZVFWFLSA-N 326.820 4.001 0 50 EIAA biogenic,investigational CC(C)CC(=O)N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl 2666985 HIWHVMYWSFSWTA-LBPRGKRZSA-N 341.641 4.096 0 50 EIAA CCCC[C@@H](CC)CNC(=O)Cc1ccc(Br)cc1 2991760 ZPHLGJLDEASSBL-CYBMUJFWSA-N 326.278 4.324 0 50 EIAA CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 11767725 KROZMULMDKWIFM-FQEVSTJZSA-N 336.483 4.400 0 50 EIAA CC(C)(C)C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 12381312 ZWVRTBJWKQZDOJ-UHFFFAOYSA-N 348.512 4.238 0 50 EIAA O=C(CCC(F)(F)F)N1CCC[C@H](CCc2c(F)cccc2F)C1 12472929 MIZLTSFJILEVMR-GFCCVEGCSA-N 349.343 4.479 0 50 EIAA C/C=C(\C)CN1CCC[C@H](CNC(=O)c2cccc3ccccc23)C1 12712816 NFFMUUDELKWIJT-KCNOKRAYSA-N 336.479 4.248 0 50 EIAA OC[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccc2F)C1 12714082 CDUBNQKRKHMBBP-FQEVSTJZSA-N 347.861 4.296 0 50 EIAA CSc1ccccc1C(=O)N[C@H]1CCCN(CC2CCCCC2)C1 14961345 ALIXTMNMJWAAER-KRWDZBQOSA-N 346.540 4.183 0 50 EIAA COc1cccc2cc(-c3cn4c(n3)sc3ccccc34)c(=O)oc12 15856778 BEMJLKPIGLULLI-UHFFFAOYSA-N 348.383 4.331 0 50 EIAA Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)C[C@H](C)C2 17027333 APSMRPWKIJJWLP-SECBINFHSA-N 335.329 4.312 0 50 EIAA Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2C(=O)O)c(C)c1 34605737 NEHHJWFJQYAIPS-UHFFFAOYSA-O 349.454 4.303 0 50 EIAA Cc1cnccc1-n1nc(C(C)C)nc1-c1cc2cccnc2nc1C 65396605 SYTVHGJGFGKAAQ-UHFFFAOYSA-N 344.422 4.013 0 50 EIAA Cc1ccccc1Oc1ncccc1CNC(=O)C(C)(C)n1cccc1 67643082 SKTZNXWSDGAJMA-UHFFFAOYSA-N 349.434 4.035 0 50 EIAA Cc1noc2nc(C(C)C)cc(C(=O)Nc3c(F)cccc3F)c12 71280426 UTKLAJGLARVXDG-UHFFFAOYSA-N 331.322 4.185 0 50 EIAA c1cnc2c(-c3nccn3C[C@@H]3CCCN4CCCC[C@H]34)cccc2c1 71663133 NEDYKDSLIFHDCW-AZUAARDMSA-N 346.478 4.363 0 50 EIAA CSc1ncccc1C(=O)N1CCC[C@H](c2ccccc2C)C1 77505172 HBTIFEMZSGHXIW-HNNXBMFYSA-N 326.465 4.132 0 50 EIAA COc1ccc(-c2cc(O)n3nc(-c4ccccc4)c(C)c3n2)cc1 106299886 LLKXGKSITMBVHT-UHFFFAOYSA-N 331.375 4.086 0 50 EIAA CCn1cnnc1-c1ccc(C(=O)Nc2cc(F)cc(Cl)c2)cc1 119595370 RWZMSXZLEPYOMV-UHFFFAOYSA-N 344.777 4.010 0 50 EIAA O=C(c1ccc(Cl)s1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 176224187 BDBDIFWJGBUZGN-GHMZBOCLSA-N 341.885 4.191 0 50 EIAA CCC(CC)n1nc(C(=O)N[C@H]2CCCOc3ccccc32)cc1C 183414621 AKNJKOZYAGUMHR-KRWDZBQOSA-N 341.455 4.196 0 50 EIAA Cn1nc(CN2CCCC[C@H]2c2cccnc2)c2c(Cl)cccc21 216275688 PKEYBKQTAYUPFX-KRWDZBQOSA-N 340.858 4.349 0 50 EIAA O=C(N[C@H](Cc1ccccc1)C1CC1)c1cnc2c(F)cccc2c1 1360205779 PJSGCUYOAXNBEB-LJQANCHMSA-N 334.394 4.125 0 50 EIAA C[C@H](c1ccccc1)[C@H](O)CN1CC=C(c2c[nH]c3ccccc23)CC1 1460829392 FCXGQEUOSBUZGM-UZUQRXQVSA-N 346.474 4.422 0 50 EIAA Cc1ccc(C(=O)Nc2nc3c(F)cccc3s2)n1C(F)F 1529178179 JUNOHUNEKOQNFU-UHFFFAOYSA-N 325.315 4.193 0 50 EIAA COc1ncccc1[C@@H](C)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 1875328679 GQXVILHDKLAUKQ-OAHLLOKOSA-N 348.450 4.463 0 50 EIAA CCN(Cc1ccccc1)c1ncnc2ccc(Br)cc12 99172 ZPPFWCRLEZPCJM-UHFFFAOYSA-N 342.240 4.419 0 50 EIAA Cc1ccc(NC(=S)NC(=O)CC(C)(C)C)c(Br)c1 150274 XIQNFFFXNYYSHG-UHFFFAOYSA-N 343.290 4.007 0 50 EIAA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccnc1 180374 UNXLPSYDYAUUJF-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc(C)c1C 258930 AZJJGWMSLXOBCH-UHFFFAOYSA-N 347.436 4.193 0 50 EIAA O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C2(CCCCC2)O1 309532 DYDMGFKZIZDQDB-LLVKDONJSA-N 342.222 4.198 0 50 EIAA Cc1nc2ccc(NC(=S)N3c4ccccc4C[C@@H]3C)cc2nc1C 445682 PWLHHBDSURTHJF-LBPRGKRZSA-N 348.475 4.395 0 50 EIAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)C(C)(C)C)ccc12 2811669 HHAMRZWKAOKDLQ-UHFFFAOYSA-N 330.424 4.438 0 50 EIAA O=C(CCCOc1ccccc1)Nc1nnc(C2CCCCC2)s1 2818599 AQILMYYSXPHBHL-UHFFFAOYSA-N 345.468 4.384 0 50 EIAA CCCCC(=O)Nc1cccc(NC(=O)C(Cl)(Cl)Cl)c1 2833004 OWRDBZQVMUSNHZ-UHFFFAOYSA-N 337.634 4.124 0 50 EIAA CCCCC(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 3612493 NSIVIONDWXODIR-UHFFFAOYSA-N 328.437 4.482 0 50 EIAA O=C(O)[C@@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 3995837 TXQKSMSLZVKQBI-HXUWFJFHSA-N 335.447 4.305 0 50 EIAA biogenic,in-vitro O=C(CSc1cccc(Cl)c1)Nc1ccc(F)c(F)c1F 5014079 MRRJBZBRJWTIKP-UHFFFAOYSA-N 331.746 4.488 0 50 EIAA CC1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 5500019 RWOGTWULDJEHBL-ZDUSSCGKSA-N 347.212 4.322 0 50 EIAA Cc1ccccc1[C@H](CC(=O)NCCc1ccncc1)c1ccccc1 11753553 TYJWDNCLJMELOG-JOCHJYFZSA-N 344.458 4.271 0 50 EIAA CCCCc1nc(CN(Cc2ccccc2)Cc2nccs2)c[nH]1 55131922 MZJCIVVZQGCXPF-UHFFFAOYSA-N 340.496 4.411 0 50 EIAA CC(C)c1noc([C@H](C)n2ccnc2-c2ccnc3ccccc23)n1 72174566 JAQLOMRYIDXXTR-ZDUSSCGKSA-N 333.395 4.214 0 50 EIAA Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3F)c2)nn1 72437226 RUUHKEMWNWTXQG-UHFFFAOYSA-N 341.317 4.108 0 50 EIAA Cc1nc2cc(C(=O)N3CCC[C@@H](c4ccccc4C)C3)ccc2[nH]1 77394253 IKLIDMMIGQFAFG-QGZVFWFLSA-N 333.435 4.200 0 50 EIAA CCCCOC(=O)N1[C@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 100039440 AQWJVHQBSHBIAH-IUCAKERBSA-N 331.256 4.047 0 50 EIAA C[C@H](C1CC1)n1nccc1NC(=O)N1CC=C(c2cccs2)CC1 156881744 DBZYHZZQJUNJLF-CYBMUJFWSA-N 342.468 4.237 0 50 EIAA O=C(CC1CCCCC1)Nc1cccc(-c2nnc3n2CCCC3)c1 169755504 YZJABKDDFDMBOX-UHFFFAOYSA-N 338.455 4.190 0 50 EIAA Cc1nc2cc(NC(=O)[C@](C)(CC(=O)O)C3CCCCC3)ccc2o1 169975501 GHDTUEZZVHRHCY-LJQANCHMSA-N 344.411 4.136 0 50 EIAA Cc1cc(C(=O)N2CCC(C)(O)CC2)sc1-c1cccc(Cl)c1 177778260 OVIXSVRQMLOIDH-UHFFFAOYSA-N 349.883 4.364 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@H](CC2CCCCC2)[C@H]1C(=O)O 221031445 VRVLZGWUBIRQEC-CABCVRRESA-N 325.449 4.057 0 50 EIAA Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 252694071 HVPVPQFZGNASDB-LDJCDLSFSA-N 326.484 4.056 0 50 EIAA biogenic Cc1cc(CO)oc1C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 339348757 LQKFWCAVGIZXGB-GOSISDBHSA-N 327.424 4.011 0 50 EIAA Cc1cccnc1[C@H]1CCC[C@@H](Nc2ccc3c(c2)NC(=O)CC3)C1 374187578 LUYWSCGPXFQPHP-DLBZAZTESA-N 335.451 4.413 0 50 EIAA O=C(O)c1cc(C(=O)O)cc(-n2c3ccccc3c3ccccc32)c1 1615773610 FSBOFYVDIUYNAR-UHFFFAOYSA-N 331.327 4.180 0 50 EIAA CC(C)(C)c1ccc2oc(N3CCO[C@@H](c4cccnc4)C3)nc2c1 1857680563 PMISWGHMWZZCBG-GOSISDBHSA-N 337.423 4.098 0 50 EIAA Cc1cnc(Cl)cc1NC(=O)N=c1cc(C[C@@H](C)C(C)(C)C)[nH][nH]1 2325840432 ABYPZXNEYKURIU-LLVKDONJSA-N 349.866 4.057 0 50 EIAA O=S(=O)(Nc1cccc(Cl)c1F)c1sccc1C1CC1 2325866466 MDSPLVOWEBHKOQ-UHFFFAOYSA-N 331.821 4.219 0 50 EIAA Cc1cc(C)nc(NC(=O)N2CCC[C@H]2c2cc(F)ccc2F)c1 2325895332 YMTJEMQSEGDSGC-INIZCTEOSA-N 331.366 4.346 0 50 EIAA COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)cc2c1 105737 CWTMDCYRBNEIBU-UHFFFAOYSA-N 343.766 4.016 0 50 EIAA CCC[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 433865 KUYYOXODJIMUIN-JTQLQIEISA-N 348.493 4.066 0 50 EIAA aggregator O=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1ccc(O)cc1 1211271 YXUKVFZVBCRIGF-ZROIWOOFSA-N 331.780 4.287 0 50 EIAA CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2OC)C1 2558465 POSOZSYOCRBYLT-NSHDSACASA-N 330.453 4.106 0 50 EIAA CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 2855749 SVYGTSHJFOQFLL-UHFFFAOYSA-N 333.453 4.147 0 50 EIAA Cc1cccc(C)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1F 2869172 NXVFGAINMOLINW-UHFFFAOYSA-N 341.304 4.479 0 50 EIAA CCOc1cccc(OCCOc2cccc(Br)c2)c1 2984229 LVSLYXKWJICJHV-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA CCCCC[C@@H](C)NC(=S)Nc1sc(C)cc1C(=O)OC 6635308 IGFOGTYPFWCNCC-SNVBAGLBSA-N 328.503 4.098 0 50 EIAA CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1OC 8494754 FGRPUSLANFBQCG-CQSZACIVSA-N 349.814 4.153 0 50 EIAA O=c1[nH]c2ccc(NCc3ccc(-c4ccccc4Cl)o3)cc2[nH]1 15356884 PPYJRGPAVQSSDO-UHFFFAOYSA-N 339.782 4.382 0 50 EIAA O=C(c1cc(-c2ccco2)on1)N1CCC[C@H]1c1ccccc1F 36621210 WAPKLVLRGRGPQB-HNNXBMFYSA-N 326.327 4.051 0 50 EIAA O=C(NCc1cccnc1Oc1ccccc1)[C@@H]1CCc2ccccc21 67446913 LSGGJIMKHNVMPL-HXUWFJFHSA-N 344.414 4.220 0 50 EIAA Cc1nn(-c2ccccc2)cc1CNc1ccc(-c2ccccc2)nn1 170593662 DCYJLOVQXZPXNB-UHFFFAOYSA-N 341.418 4.250 0 50 EIAA Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(C2CCCC2)nn1C 182283264 ZBJXXYNWOFFJHZ-UHFFFAOYSA-N 336.439 4.049 0 50 EIAA CCc1nnsc1C(=O)Nc1c(C(C)C)c(C)nc2ccccc12 191319836 GWBKSWSILZELML-UHFFFAOYSA-N 340.452 4.333 0 50 EIAA Cc1c(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cnn1C1CCCC1 194306897 OROKZWVVACZXMQ-LBPRGKRZSA-N 342.447 4.118 0 50 EIAA C[C@H](CCc1ccco1)Nc1cc(Br)cc(C(=O)O)c1 227670711 HNLQGOHPWXRORY-SNVBAGLBSA-N 338.201 4.174 0 50 EIAA CC(C)(C)OC(=O)N1Cc2ccc(NCc3cscn3)cc2C1 386768351 JISCLNNMYGTWEP-UHFFFAOYSA-N 331.441 4.006 0 50 EIAA Cc1cc(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)cnn1 469062501 RWSIJWVJRPJLJS-QGZVFWFLSA-N 329.831 4.100 0 50 EIAA CC1(C)CC[C@@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)O1 492175684 LUTYAXXMXVAFJV-PMACEKPBSA-N 335.447 4.118 0 50 EIAA CCOc1ccc([C@H](CC)NC(=O)c2ccccc2-c2ncc[nH]2)cc1 670438241 LWKKUWGNJMHIPI-IBGZPJMESA-N 349.434 4.357 0 50 EIAA Cc1nc(-c2ccc([C@H]3CCCO3)s2)n(Cc2ccccc2)n1 670456708 YZXVDUINDYKIDG-OAHLLOKOSA-N 325.437 4.215 0 50 EIAA CCn1nc(CC(C)C)cc1C(=O)Nc1cc(Cl)ccc1N(C)C 952982488 MIIJLLAJTIZJLR-UHFFFAOYSA-N 348.878 4.073 0 50 EIAA COCC[C@@H]1CCN(C(=O)c2coc(C3CCC3)n2)c2ccccc21 1337768768 ZCJLSRGOSAWABV-AWEZNQCLSA-N 340.423 4.113 0 50 EIAA O=C(NC1CCC(C(=O)O)CC1)c1csc(C2CCCCC2)c1 1875338921 QKRAMSRUVTYBCQ-UHFFFAOYSA-N 335.469 4.169 0 50 EIAA Cc1cc(C)cc(NC(=S)N[C@@H](C)[C@@H](O)c2ccc(F)c(C)c2)c1 2325823787 FCPGCFBXMWUPEE-KBXCAEBGSA-N 346.471 4.159 0 50 EIAA CCOC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)Cc1ccccc1-2 276913 QPOBKYQGPFBMLJ-OAQYLSRUSA-N 335.447 4.175 0 50 EIAA COc1cccc(OC)c1OCCOc1cccc(Cl)c1Cl 2984984 BKNDOOXKUARWQK-UHFFFAOYSA-N 343.206 4.468 0 50 EIAA CCCCNCCOCCOc1ccc(Cl)cc1C(C)(C)C 3002649 FJLHGJOZEFGFPX-UHFFFAOYSA-N 327.896 4.423 0 50 EIAA O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2ccoc2)C1 19111122 VFJKEFKAKRPMQH-HNNXBMFYSA-N 337.341 4.393 0 50 EIAA C[C@H](CCc1ccc(O)cc1)NCc1ccccc1Br 23280231 GPCNSULUIGMSGF-CYBMUJFWSA-N 334.257 4.266 0 50 EIAA CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ccccc2Cl)o1 53432678 MWPGMFILSVRZRO-ZDUSSCGKSA-N 333.815 4.241 0 50 EIAA CCCCc1ccc(C(=O)Nc2c(C)cnn2[C@@H](C)C2CC2)nc1 55384722 JXRNODMGQSGIGC-AWEZNQCLSA-N 326.444 4.152 0 50 EIAA CCn1ccc2c(CN(C)Cc3cc(-c4cccnc4)no3)cccc21 77386821 WTSPYHRTYVTQKT-UHFFFAOYSA-N 346.434 4.343 0 50 EIAA Cc1cc2cccc(C(=O)N3CCC[C@@H](CN4CCCCC4)C3)c2o1 82097734 CMPCLVJPRJJKBB-KRWDZBQOSA-N 340.467 4.079 0 50 EIAA O=C(NCCCc1ccc(F)cc1)c1ccc([C@@H]2CCCO2)s1 91474786 ZKAOLJXJXBHFLP-HNNXBMFYSA-N 333.428 4.101 0 50 EIAA Cc1nc2ccc(C(=O)N(C)Cc3csc(C(C)C)n3)cc2s1 95367719 NVXHJZDDHJYIOC-UHFFFAOYSA-N 345.493 4.457 0 50 EIAA Cc1nc2ccccc2nc1NC[C@H](O)c1c(Cl)cccc1Cl 170637178 XJUNWWMTULWCQU-HNNXBMFYSA-N 348.233 4.391 0 50 EIAA COC[C@@H](C)N1CCC(c2nc(-c3ccccc3OC)cs2)CC1 191517764 WBEBSTZYOOAVBH-CQSZACIVSA-N 346.496 4.033 0 50 EIAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cnc(C)nc1-c1ccccc1 215793900 KLAFOJBHJUQZSQ-IBGZPJMESA-N 346.434 4.070 0 50 EIAA O=C(c1ccc(-c2ccco2)cc1)N1CCO[C@@H](c2ccccc2)C1 219330676 NHDNJRSYLYPSCL-HXUWFJFHSA-N 333.387 4.160 0 50 EIAA Cc1nc2c(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)cccc2o1 348123955 RPZNBPMNNMYLOQ-CQSZACIVSA-N 342.782 4.043 0 50 EIAA O=C(O)c1coc(C(=O)Nc2c(F)cccc2Oc2ccccc2)c1 352385448 HPKLNTTVSZVSHP-UHFFFAOYSA-N 341.294 4.162 0 50 EIAA N[C@H]1CCCc2cc(-c3nc(Cc4ccc5c(c4)CCC5)no3)ccc21 2325821805 BXLHCSSBVWPZRW-FQEVSTJZSA-N 345.446 4.152 0 50 EIAA COc1cc([C@@H]2CC(=O)c3c(ccc4ccccc34)N2)cc(OC)c1O 276290 GJUFSXOBEOSZIF-INIZCTEOSA-N 349.386 4.302 0 50 EIAA COc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1 464835 RZTVCDUNPJLVNF-UHFFFAOYSA-N 338.432 4.364 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)N1c2ccc(F)cc2CC[C@@H]1C 483681 HMUCRJRZWGLFED-IFXJQAMLSA-N 327.399 4.351 0 50 EIAA CNc1nc(SCc2ccc(Cl)c(Cl)c2)ncc1OC 1391843 HGYVJDGUSWUBIY-UHFFFAOYSA-N 330.240 4.126 0 50 EIAA COc1ccc(-c2nnc(S)n2-c2cccc3ccccc23)cc1 1438709 CWYZMFWSMMSVEC-UHFFFAOYSA-N 333.416 4.385 0 50 EIAA CN(C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 4263720 SOWLIVQHBWMDLN-RKRCHRGQSA-N 349.559 4.235 0 50 EIAA CCOc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4611880 IIQRMGJNIGQZFS-HILYYZTDSA-N 327.468 4.420 0 50 EIAA Nc1nc(NCc2ccccc2)sc1C(=O)c1ccc(Cl)cc1 4652876 BXGJNLNFEDZIIZ-UHFFFAOYSA-N 343.839 4.222 0 50 EIAA O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccs1 4842545 WGELDHRSCPRDMM-UHFFFAOYSA-N 334.400 4.486 0 50 EIAA Cc1ccc(-c2noc(CNC(=O)Nc3cccc(Cl)c3)n2)cc1 6697600 QBZHYPDQDJCLQV-UHFFFAOYSA-N 342.786 4.020 0 50 EIAA CC[C@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl 6745830 NSZGAVBLFMARSY-INIZCTEOSA-N 330.815 4.212 0 50 EIAA Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c2c(C)noc2n1 14205651 OUJIHEGDIFFQQF-UHFFFAOYSA-N 335.285 4.111 0 50 EIAA Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@@H]1CCCO 14978644 WLPVKABDFRLXSZ-QGZVFWFLSA-N 348.874 4.430 0 50 EIAA FC(F)(F)c1cc(Cl)nc(Cl)c1I 40566671 XUIRWSFROXFNIA-UHFFFAOYSA-N 341.885 4.012 0 50 EIAA CCc1nc(NCc2ccc(OC)cc2OC)c2cc(C)sc2n1 41090658 SPFBPKLVOQUKKZ-UHFFFAOYSA-N 343.452 4.191 0 50 EIAA Cc1ccccc1Oc1ncccc1CNC(=O)Cc1ccsc1 67695622 LBKORQYYLMRETK-UHFFFAOYSA-N 338.432 4.103 0 50 EIAA COc1cccc2ccc(CN(C)Cc3cccc4ncccc34)nc12 72128223 IOFMPUJJUWBZAQ-UHFFFAOYSA-N 343.430 4.424 0 50 EIAA Fc1cccc([C@@H]2CCCCN2Cc2nnc(-c3ccco3)o2)c1 72147922 RIZGYZOVGFZZOD-HNNXBMFYSA-N 327.359 4.196 0 50 EIAA Cc1c(C(=O)N[C@@H](C)c2cccc(F)c2F)cnn1C1CCCC1 119452061 MFTUWCHGILPQCS-NSHDSACASA-N 333.382 4.076 0 50 EIAA CC(C)Oc1ccccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1 152173533 WSLPCEFLXMOHPX-QGZVFWFLSA-N 346.452 4.141 0 50 EIAA O=C(Nc1cnccc1-c1ccccc1)c1cc2ccccc2c(=O)o1 225703867 NRGUOKCGISBDLT-UHFFFAOYSA-N 342.354 4.107 0 50 EIAA CNc1nc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 244816793 SOOYTJCKHROQRS-GFCCVEGCSA-N 344.509 4.174 0 50 EIAA Cc1cc(C(=O)N(CC(F)(F)F)[C@H]2CCCc3cccnc32)co1 253425066 OKLMOISEIBZPSQ-AWEZNQCLSA-N 338.329 4.065 0 50 EIAA C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 263292240 MHQLMSHDTXTUKU-JLLWLGSASA-N 344.238 4.014 0 50 EIAA Fc1ccccc1Oc1cc(CN[C@@H]2CCC23CCOCC3)ccn1 374371699 AMGHGHIQLQHPQK-GOSISDBHSA-N 342.414 4.062 0 50 EIAA COCc1ccc([C@@H]2CCCN2c2ccc(-c3ccncc3)cn2)o1 893215568 IPTBHUVPZMWHQF-SFHVURJKSA-N 335.407 4.225 0 50 EIAA Cc1cccc2oc(C(=O)N3[C@H]4CC[C@H]3CC(c3ccnn3C)C4)cc12 935864885 RCGJJIIDRPTJSM-HOTGVXAUSA-N 349.434 4.026 0 50 EIAA c1csc(-c2nc(CNCc3ccc([C@@H]4CCCO4)s3)no2)c1 952873521 XZSNYCFOLGQZQA-LBPRGKRZSA-N 347.465 4.001 0 50 EIAA COc1ccc(CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)cn1 1875241187 QEJWQBFBSJGIGP-RBUKOAKNSA-N 340.467 4.078 0 50 EIAA CCOc1ccc(C)cc1S(=O)(=O)Oc1ccc2ccccc2c1 1875302579 WYVFXKPLTJCNKC-UHFFFAOYSA-N 342.416 4.315 0 50 EIAA CN(c1nc(COc2ccc(-c3nccs3)cc2)cs1)C1CC1 2325705243 PNOQSKNGMOAYMQ-UHFFFAOYSA-N 343.477 4.444 0 50 EIAA COc1ccc(-c2ccccc2-c2nccn2C[C@@H](C)OC)cc1F 2356137119 GCMULCKANBLEBT-CQSZACIVSA-N 340.398 4.400 0 50 EIAA Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 427673 XOVSCQKRPUJKGX-CYBMUJFWSA-N 345.826 4.454 0 50 EIAA CCCC[C@@H](CC)[C@H]1NC(=O)N(SC(Cl)(Cl)Cl)C1=O 1759674 VOGJJBHRUDVEFM-HTQZYQBOSA-N 347.695 4.099 0 50 EIAA in-man Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 2841975 BTHDENWZFHJBKJ-UHFFFAOYSA-N 337.444 4.391 0 50 EIAA CC(=O)Oc1cccc2ccc(/C=C/c3ccc(C(=O)O)cc3)nc12 5102212 UOFLWBKHEFRNQH-YRNVUSSQSA-N 333.343 4.029 0 50 EIAA Cc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 6698063 RQPGWGQBFZATAX-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2C)n[nH]1 11819051 MBCKQSGEVUIFHA-NRFANRHFSA-N 347.462 4.207 0 50 EIAA Cc1ccc2cc(CN[C@H](C)CO)c(-c3cccc(Cl)c3)nc2c1 12047898 IQRWSNKZFVHRJL-CQSZACIVSA-N 340.854 4.334 0 50 EIAA CCN(Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 12327425 JKTHXBOKGOUMQM-OAQYLSRUSA-N 336.479 4.090 0 50 EIAA Cc1ncsc1C(=O)N1CCC[C@@H](CCc2cccc(F)c2)C1 12571343 NJCZPNRLXVPEFV-HNNXBMFYSA-N 332.444 4.076 0 50 EIAA Cc1ccc(C)c(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 13322985 ZZRQXXDWFSZJLA-UHFFFAOYSA-N 337.467 4.090 0 50 EIAA COc1ccc(Cn2cc(-c3ccccc3)[nH]c2=S)cc1OC 23550045 KEJGIIRYEOABNU-UHFFFAOYSA-N 326.421 4.278 0 50 EIAA COc1ccc(-c2nn3c(NC4CCCC4)cc(C)nc3c2C)cc1 40216864 CWVOMXYAMAQGSR-UHFFFAOYSA-N 336.439 4.376 0 50 EIAA Cc1nc(Cl)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 77011356 LMNHTSKUHWUCEH-UHFFFAOYSA-N 343.811 4.115 0 50 EIAA in-vitro CC(C)(C(=O)Nc1ccncc1F)c1cccc(C(F)(F)F)c1 132111289 MFLGDCANTJNXHK-UHFFFAOYSA-N 326.293 4.156 0 50 EIAA CC(C)Oc1cncc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1 151148791 SHBWONRCKYAKMV-IBGZPJMESA-N 339.439 4.021 0 50 EIAA Clc1ccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)c2ncccc12 151345762 RPNYSFAYEIATJC-RDTXWAMCSA-N 348.899 4.033 0 50 EIAA Cc1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(C)n1 215579986 VKZHPQSKOBZWLU-UHFFFAOYSA-N 332.806 4.296 0 50 EIAA CN(C)[C@@H]1CCCN(Cc2ccc(Cl)cc2Br)CC1 225442758 UXJOTBUUEDJGTL-CQSZACIVSA-N 345.712 4.019 0 50 EIAA Cc1cccc(C)c1NC(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1 230155348 IGPYNVWOPXOSNE-MOPGFXCFSA-N 343.515 4.422 0 50 EIAA O=c1[nH]c2c(s1)[C@H](c1ccc(F)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 239433026 XCRBMTDUYFRNSW-YRASXDPISA-N 333.453 4.228 0 50 EIAA CSC(C)(C)C[C@@H](C)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 244774067 PNGUVYVHUKQZPF-WDVMJLRXSA-N 325.562 4.216 0 50 EIAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2ccsc2)cc1 248181062 DJAUCSVNUQQSTQ-BZSNNMDCSA-N 327.449 4.224 0 50 EIAA CC(C)Cn1ccc2c(OCC(=O)Nc3cccc(O)c3)cccc21 253410146 MWTBLVIXAREQGY-UHFFFAOYSA-N 338.407 4.020 0 50 EIAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 257346314 YATPIFKIZZKJFX-FKGJNOFZSA-N 334.500 4.322 0 50 EIAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ncoc1C1CC1 353234345 YORZILQLXPACPZ-UHFFFAOYSA-N 337.354 4.314 0 50 EIAA Cc1cc(C(=O)CN2CCCC[C@@H]2c2nc3ccccc3o2)c(C)[nH]1 679136681 SRWHTCRQORNYTF-QGZVFWFLSA-N 337.423 4.183 0 50 EIAA Cc1n[nH]c(C)c1CCCN(C)c1nc(-c2ccc(F)cc2)cs1 1529180222 DVBMUFQIQBDSBV-UHFFFAOYSA-N 344.459 4.358 0 50 EIAA C[C@H](NC(=O)c1c(O)ccc2ccccc12)c1cc2cnccc2o1 1875338565 BXVSFKQAEIFFMS-LBPRGKRZSA-N 332.359 4.178 0 50 EIAA COc1ccc(-c2ccc(-c3nccn3C[C@H](C)OC)cc2)cc1F 2356156050 TVVRQQYUJFMMJZ-AWEZNQCLSA-N 340.398 4.400 0 50 EIAA O=C(O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 109867 OHMNZXDXOKJCME-PMACEKPBSA-N 349.430 4.385 0 50 EIAA CC(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 130399 OQKUWVMADSOKLI-UHFFFAOYSA-N 338.190 4.214 0 50 EIAA CC1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1 171479 ZHWQVVWSFHSSAO-UHFFFAOYSA-N 334.463 4.182 0 50 EIAA COc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1OC 246648 MTANILZMPAOQAP-UHFFFAOYSA-N 328.393 4.277 0 50 EIAA Cc1ccc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 355463 SJAHVKIEZLKHDC-UHFFFAOYSA-N 347.443 4.474 0 50 EIAA CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 614185 PQZREUBYIJHDQX-UHFFFAOYSA-N 331.799 4.259 0 50 EIAA Brc1ccccc1OCCCCN1CCCCCC1 2839067 NFHNVFLDLCFLCD-UHFFFAOYSA-N 326.278 4.484 0 50 EIAA S=C(NCc1ccco1)Nc1ccc(OCc2ccccc2)cc1 2853847 FIOREKZHNKJWOR-UHFFFAOYSA-N 338.432 4.345 0 50 EIAA CCCCN(C(=O)c1ccc(Cl)cc1)C1=C[C@H]2CC[C@@H](C1)N2C 4019041 FETLJBXPGXXLIH-SJORKVTESA-N 332.875 4.333 0 50 EIAA COc1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1 4541793 ASMIHABOOYAZND-JXMROGBWSA-N 332.197 4.110 0 50 EIAA COc1cc(C=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 5050797 HOHHGCWHWKDXRB-UHFFFAOYSA-N 334.799 4.236 0 50 EIAA Cc1cc(NCc2ccccn2)n2nc(C)c(-c3ccc(F)cc3)c2n1 9061187 OYHJVHZXPNKLBE-UHFFFAOYSA-N 347.397 4.159 0 50 EIAA C[C@H](Cc1nnc(NC(=O)c2ccccc2F)s1)c1ccccc1 9095394 OSUVHGTYCXZOGQ-GFCCVEGCSA-N 341.411 4.276 0 50 EIAA Cc1nc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)sc1C 11907381 REQUOLXWPKHQJD-LBPRGKRZSA-N 343.477 4.427 0 50 EIAA Cc1cc(NC(=O)c2ccco2)c2cc(Br)ccc2n1 12422103 QZUJJCWNFHZKFR-UHFFFAOYSA-N 331.169 4.151 0 50 EIAA Clc1cc(Cl)c2c(c1)C=C1CCCC[C@@]1(N1CCOCC1)O2 19770714 COSRWYZDVXYLOJ-QGZVFWFLSA-N 340.250 4.372 0 50 EIAA CSc1cccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)c1 20774847 OYVPQXHFSKHAOD-GOSISDBHSA-N 344.499 4.302 0 50 EIAA Cc1nc(C)c(C(=O)N2CCC(Sc3ccccc3C)CC2)s1 77564282 LPOKHPBTJCELIV-UHFFFAOYSA-N 346.521 4.465 0 50 EIAA CC(C)(C)[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ncccc23)CC1 170602380 XJMHAIDAVBQWPT-HOTGVXAUSA-N 327.472 4.217 0 50 EIAA FC(F)n1ccnc1CNC1(c2cccc(C(F)(F)F)c2)CCC1 174586986 KQMBJMVMAAIIIR-UHFFFAOYSA-N 345.315 4.466 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)Nc1cnn(C2CCCC2)c1C 194014988 GRCGUVLAZZEKQE-UHFFFAOYSA-N 329.404 4.124 0 50 EIAA CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1 239235336 VUHHPCNWKDEWOX-APHBMKBZSA-N 335.831 4.203 0 50 EIAA CC(C)c1ccccc1OC[C@H](O)CN1CC[C@@H]2CCCC[C@H]2C1 252370583 YHPJZFFADHNXOR-GBESFXJTSA-N 331.500 4.062 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1C1=C2[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 257356242 GZAQDHBYALEXGZ-SLSXCVKXSA-N 345.442 4.115 0 50 EIAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2c2nccs2)cc1 257365076 NEKVEZQTFNOVPO-BBWFWOEESA-N 342.464 4.009 0 50 EIAA Cc1c(Cl)ccc(NC(=O)N(C)C[C@H]2CCCCO2)c1Cl 299774419 CXURITGDEZDWFZ-LLVKDONJSA-N 331.243 4.335 0 50 EIAA CC1(C)C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CO1 333142755 DFUFBINFLWWPJR-KRWDZBQOSA-N 331.460 4.074 0 50 EIAA Cc1cc(OCc2ccc(Cl)cc2-n2cncn2)ccc1Cl 2325759395 DSDPRTIDVLWYHF-UHFFFAOYSA-N 334.206 4.462 0 50 EIAA Cc1cc(C)nc(Sc2ncnc3sc4c(c23)CCCC4)n1 91323 PCJJODLGUMQJBU-UHFFFAOYSA-N 328.466 4.128 0 50 EIAA Cc1ccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 318994 WZMGUORSUWZTOO-UHFFFAOYSA-N 336.387 4.288 0 50 EIAA O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccc(F)c1 359405 FJTZWZCQHOHLEP-UHFFFAOYSA-N 340.379 4.392 0 50 EIAA CCN(CC)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(C)c1 557457 MCYLLDYDHQBNTN-UHFFFAOYSA-N 342.439 4.111 0 50 EIAA Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@H](c1ccccc1Cl)C2 1068612 KTNAMBGSRYJGQY-GFCCVEGCSA-N 345.826 4.454 0 50 EIAA O=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1O 2835499 ZPBSFODQHDWNQW-UHFFFAOYSA-N 327.767 4.216 0 50 EIAA COc1ccc(CC[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 12053042 GVGJGRSJVLFYLC-OAHLLOKOSA-N 343.389 4.209 0 50 EIAA C[C@H](Cc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 23280952 FFGNWUUJSNHHRM-QGZVFWFLSA-N 326.459 4.011 0 50 EIAA O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1cccc(F)c1 36620476 JEWBDAONMZWUEC-HNNXBMFYSA-N 339.819 4.005 0 50 EIAA COc1ccccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72152671 PSGPLXSXOBCYIR-UHFFFAOYSA-N 330.391 4.246 0 50 EIAA Fc1ccc([C@H](CCNc2nnc(C3CC3)o2)c2ccco2)cc1 91707691 JFDFGJRIEGUYMZ-HNNXBMFYSA-N 327.359 4.313 0 50 EIAA CCN1C[C@@H](c2ccccc2)CC2(CCN(c3nccs3)CC2)C1 91713228 GVEPMESUUMRNRB-SFHVURJKSA-N 341.524 4.239 0 50 EIAA Cc1cccnc1[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C 170628796 YVVSNTFLDLMVRX-IGDKPHCXSA-N 341.499 4.355 0 50 EIAA CCC1(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)CCC1 176918558 VSAJIKPENBVVHO-HNNXBMFYSA-N 342.483 4.386 0 50 EIAA O=C(CC1CCC(C(F)(F)F)CC1)Nc1nc2ccccc2[nH]1 182912371 VLCZXCHGAXXVMM-UHFFFAOYSA-N 325.334 4.260 0 50 EIAA CCc1c(C(=O)N2C[C@@H](C(C)C)c3ccccc32)[nH]c(C)c1C(=N)O 331667399 YGLVODWTZRUZNM-HNNXBMFYSA-N 339.439 4.169 0 50 EIAA Cn1cnnc1-c1cccc(NC2CC(c3ccccc3Cl)C2)c1 392109762 MNWVOLPKTHZPKL-UHFFFAOYSA-N 338.842 4.494 0 50 EIAA CC[C@H](C)n1nc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1C 408513854 WOGKAOIQBKFSMJ-VIFPVBQESA-N 341.333 4.155 0 50 EIAA Cc1cscc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 456706249 SLFWNPXAINPJSP-MRXNPFEDSA-N 325.437 4.300 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1oc3ccc(C)cc3c1C)C2 1704305388 PTVIYROJOCOCGE-WIYYLYMNSA-N 341.451 4.471 0 50 EIAA CC(C)c1ccncc1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 1875312081 HDVIHSHBHMLFNR-CQSZACIVSA-N 330.815 4.363 0 50 EIAA NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 56477 JXPQMHIXNPWEEK-UHFFFAOYSA-N 333.431 4.346 0 50 EIAA biogenic,in-vitro C[C@@H]1CCc2c(sc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)C1 143659 LVMXVULTFAKHMA-LLVKDONJSA-N 344.867 4.285 0 50 EIAA Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1 149044 GDWYBPVTEAMZGG-UHFFFAOYSA-N 335.359 4.368 0 50 EIAA COc1cccc(C(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)c1 149575 SJSIPGWZWDTJIE-UHFFFAOYSA-N 347.370 4.167 0 50 EIAA COc1ccc(-c2nnc(SC(=O)OCc3ccccc3)o2)cc1 267292 UUDCBKXGNKSAQE-UHFFFAOYSA-N 342.376 4.174 0 50 EIAA CCc1cc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)cc1O 308046 UHCPLLLGCFDXSI-UHFFFAOYSA-N 328.343 4.290 0 50 EIAA Cc1cc(C)c(OCC(=O)Nc2ccccc2Br)c(C)c1 315330 RXWJJLALSZTJAU-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 393490 ORHVEVGCWUVFNC-ZWKOTPCHSA-N 335.488 4.371 0 50 EIAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OC)c2)c1 468664 RBSUSTLCBLWSHY-UHFFFAOYSA-N 346.814 4.340 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)N1c2ccc(F)cc2CC[C@H]1C 483679 HMUCRJRZWGLFED-AUUYWEPGSA-N 327.399 4.351 0 50 EIAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N(C)C)cc1 613791 QHKMNIWPAJZRPM-HNNXBMFYSA-N 340.467 4.456 0 50 EIAA COc1ccc(NC(=O)c2cccnc2Nc2ccc(OC)cc2)cc1 1075585 VTNDNVVFRDNPHG-UHFFFAOYSA-N 349.390 4.095 0 50 EIAA Cc1cc(C)c2c(n1)nn1c(N[C@@H](C)c3ccccc3)cc(C)nc21 2326779 RUQYGQDMFFXNHA-HNNXBMFYSA-N 331.423 4.376 0 50 EIAA CCCCc1ccc(-c2nc(NC(=O)CCC(=O)O)sc2C)cc1 2760546 CJSGKYCOLHOBKG-UHFFFAOYSA-N 346.452 4.264 0 50 EIAA CCCCOc1ccccc1/C=C1/N=C(c2ccc(F)cc2)OC1=O 2844345 APVDHURXWFFYTC-GHRIWEEISA-N 339.366 4.349 0 50 EIAA COCCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 2864278 DMFRJASMNGQXON-UHFFFAOYSA-N 329.465 4.054 0 50 EIAA COc1ccccc1Nc1nc(N2CCc3ccccc32)ncc1F 2886087 DHPLAYQCBZHQKI-UHFFFAOYSA-N 336.370 4.062 0 50 EIAA COc1ccc(-c2noc([C@@H](C)Oc3cccc(C)c3)n2)cc1OC 4833839 BDWIYVGVYPZBRN-CYBMUJFWSA-N 340.379 4.202 0 50 EIAA O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1 5046953 RDNOKGATLPPIGS-UHFFFAOYSA-N 330.387 4.120 0 50 EIAA COC(=O)c1ccccc1NC(=S)Nc1ccccc1C(C)C 5945182 INXZVWDTWSLAMQ-UHFFFAOYSA-N 328.437 4.406 0 50 EIAA Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(Br)cc1 6556413 XXHWHHKTAAYCHI-UHFFFAOYSA-N 331.165 4.237 0 50 EIAA biogenic CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 12380809 QRBBTQVVJVLDPR-AWEZNQCLSA-N 348.402 4.204 0 50 EIAA CC1CCN(C(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)CC1 13689937 ZAAYWWBKVGBZGM-UHFFFAOYSA-N 347.414 4.332 0 50 EIAA CCc1ccccc1NC(=O)c1cccc(NC(=O)c2cccn2C)c1 55212010 OQHNYFTWXOFQMN-UHFFFAOYSA-N 347.418 4.092 0 50 EIAA CSc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 65331111 WXOINJPPKODSPA-MRXNPFEDSA-N 335.432 4.068 0 50 EIAA c1ccc(NCCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)cc1 67770722 YLDOLENOVPSIML-UHFFFAOYSA-N 329.407 4.052 0 50 EIAA O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1cccnc1 80322570 QIFKOLLBGBZTDR-UHFFFAOYSA-N 337.467 4.169 0 50 EIAA Cc1cc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cs1 91650626 NSGLUZXAOPVNQF-UHFFFAOYSA-N 339.464 4.261 0 50 EIAA CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)on1 91915487 GATCGAUEEQWWQE-KRWDZBQOSA-N 326.440 4.283 0 50 EIAA O=C(Nc1ccccc1F)c1cncc(-c2ccc3c(c2)CCO3)c1 152918568 JGRNEHGVFDCYCC-UHFFFAOYSA-N 334.350 4.075 0 50 EIAA COc1ccc(Oc2cc(CN[C@H](C)c3ccccn3)ccn2)cc1 158688418 VZLZJAFYCULNKJ-OAHLLOKOSA-N 335.407 4.128 0 50 EIAA Fc1ccc2nc(/C(Cl)=C/c3nccn3CC(F)(F)F)oc2c1 159028034 MABUCXKLHDIUEU-TWGQIWQCSA-N 345.683 4.463 0 50 EIAA C[C@@H](Nc1ccccc1OCC(F)F)c1ccc(-n2cncn2)cc1 182491782 DKZGEANDKVACDJ-CYBMUJFWSA-N 344.365 4.084 0 50 EIAA C[C@@H](N[C@H](C)c1nnnn1-c1ccccc1)c1cc2ccccc2s1 184367568 MCGHRLKZGQDIDU-ZIAGYGMSSA-N 349.463 4.289 0 50 EIAA CC(C)(C)OC(=O)N(Cc1cc(Br)ccc1F)C1CC1 230549476 YXESWQAGSHKDCS-UHFFFAOYSA-N 344.224 4.488 0 50 EIAA Cc1ccc(-n2cnc(C(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 252489190 JJQAFQSHSHSORV-UHFFFAOYSA-N 347.205 4.135 0 50 EIAA COCc1nsc(N[C@@H](C)c2sc(-c3ccccc3)nc2C)n1 267359317 HYAGEAMTQSGXJY-NSHDSACASA-N 346.481 4.290 0 50 EIAA Cc1c(NC(=O)c2cccc([C@H]3CCOC3)c2)cnn1C1CCCC1 278668291 SLCFZKPSGSRFFY-KRWDZBQOSA-N 339.439 4.063 0 50 EIAA CCCN(CC1CC1)C(=O)c1ccc(-c2cc(OC)ccc2O)cc1 534664671 VDPQDOPIFOCGGJ-UHFFFAOYSA-N 339.435 4.330 0 50 EIAA Cc1nc2c([nH]1)CN(Cc1ccc(-c3ccccc3Cl)o1)CC2 670447707 RBAMQIWYXXSMES-UHFFFAOYSA-N 327.815 4.190 0 50 EIAA CCN(C(=O)c1cncc(C(F)(F)F)c1)[C@H]1CCCc2cccnc21 888093174 IQMXGVGQDNHXFJ-HNNXBMFYSA-N 349.356 4.035 0 50 EIAA Cc1ccc(-c2nnc(-c3cncc(-c4ccc5c(c4)CCO5)c3)o2)o1 1322382943 KMICIUZXTRUXEH-UHFFFAOYSA-N 345.358 4.302 0 50 EIAA Cc1cccc(C)c1OC(=O)Cc1ccccc1OCc1ccncc1 1349783716 TVFOJPVHHPZTLL-UHFFFAOYSA-N 347.414 4.426 0 50 EIAA CCCCc1nc(CN2CCC3(C=C(C)CCO3)CC2)c(Cl)[nH]1 1704331057 NKTODHMJENCFKU-UHFFFAOYSA-N 337.895 4.107 0 50 EIAA CC1CC(C(=O)N[C@H]2CCCC3(C2)N=N3)(c2cccc(Cl)c2)C1 1857530501 DPDOGLMTPQTLOC-VXKCQOAXSA-N 331.847 4.229 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2ccc(C)n2C(F)F)C[C@H](C(C)C)O1 1857712985 QCSZTIQCQSAYCV-GDBMZVCRSA-N 342.430 4.247 0 50 EIAA O=C(c1ccc(-c2ccsc2)cc1)N1CCC(NC2CCC2)CC1 1875286350 RFQDBVDDKCFDMY-UHFFFAOYSA-N 340.492 4.162 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)NCc1cccc2ncsc12 2356145795 IPCCVJKCAWLQTD-UHFFFAOYSA-N 331.466 4.115 0 50 EIAA CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 64045 MIZFAUDZAALNSZ-FMIVXFBMSA-N 329.783 4.169 0 50 EIAA O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Cl)cc1 73915 HCUDCAAJIKWFNQ-DHDCSXOGSA-N 347.201 4.086 0 50 EIAA O=C(Nc1cccc(Cl)c1Cl)OCc1ccc2c(c1)OCO2 396488 XNAOBTRXIMHNTE-UHFFFAOYSA-N 340.162 4.471 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCCC2 476057 RJVYVIMPGCGHIY-UHFFFAOYSA-N 347.436 4.429 0 50 EIAA O=C(NC1C2CC3CC(C2)CC1C3)c1cc(Br)cs1 2770975 GZPGYBILCCPYST-UHFFFAOYSA-N 340.286 4.065 0 50 EIAA Cc1nc2sc(C(=O)N3[C@H](C)CCC[C@H]3C)c(N)c2c(C)c1C 6659480 BMZKYRZDWXTOPE-NXEZZACHSA-N 331.485 4.207 0 50 EIAA CC(C)CNC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 8188657 PUQGNQIRAMGAEY-UHFFFAOYSA-N 336.391 4.071 0 50 EIAA Cc1occc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 12448383 OAXKMAFSEFXUMH-GOSISDBHSA-N 326.440 4.428 0 50 EIAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccnc1 17440331 UYOUQYPPTLVSTN-UHFFFAOYSA-N 325.195 4.186 0 50 EIAA CCCCC(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67604181 JTJBUJCZSQGDHV-UHFFFAOYSA-N 329.419 4.112 0 50 EIAA Clc1c(CN2CCCC2)cccc1Oc1ccc2c(c1)OCCO2 67804997 KZTABEJTXUDBNI-UHFFFAOYSA-N 345.826 4.499 0 50 EIAA Fc1ccc2nc(CN3CCCC[C@@H]3CCN3CCCC3)ccc2c1 77470867 CTTWJLSHUFTWHK-HXUWFJFHSA-N 341.474 4.214 0 50 EIAA C=Cc1ccc(C(=O)N2CCC(c3nccn3CCCC)CC2)cc1 91649746 LTXXKIFIENBJIU-UHFFFAOYSA-N 337.467 4.346 0 50 EIAA CCC(C)(C)c1ccc(S(=O)(=O)Nc2c(C)noc2C2CC2)cc1 126795834 HYCRABLQBQYQSA-UHFFFAOYSA-N 348.468 4.349 0 50 EIAA Cc1nnc([C@@H](C)SCc2cccc(C(=O)OC(C)(C)C)c2)o1 192593816 MHQLHFYSXMJILS-LLVKDONJSA-N 334.441 4.328 0 50 EIAA CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc3c2CN(C)C3)c1 225746583 SVTYXZCFNRGOQM-HNNXBMFYSA-N 338.451 4.161 0 50 EIAA COc1ccc([C@@H]2CCCN2C[C@@H](O)c2ccccc2Cl)cc1 229697980 ZTTLUDKOIBEDKQ-RBUKOAKNSA-N 331.843 4.219 0 50 EIAA COc1cc(N)c(Cl)cc1C(=O)Nc1cccc(OCC(C)C)c1 237278853 NKMNAQKUCIJYQY-UHFFFAOYSA-N 348.830 4.218 0 50 EIAA COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 252444140 CHGMHJXHCWOEEE-HOCLYGCPSA-N 344.480 4.229 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257345962 NTIDOCUQWIFRTK-QYQWGMGISA-N 334.500 4.179 0 50 EIAA O=C(N[C@H]1COC2(CCCCC2)C1)c1[nH]c2ccccc2c1Cl 426477668 DKTKEEQBHHAGAG-GFCCVEGCSA-N 332.831 4.043 0 50 EIAA COc1c(Cl)cccc1-c1noc([C@@H]2CCN2C2CCCC2)n1 904185810 IIMHKTQRMNBZSF-AWEZNQCLSA-N 333.819 4.088 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cccc2c1CCC2=O 952977084 AUMILSYGCGQDEP-IBGZPJMESA-N 336.435 4.214 0 50 EIAA CC(C)c1nc(C(=O)N(C)Cc2ccc3ncccc3c2)cs1 1506424531 LQSURHQWIIJJGF-UHFFFAOYSA-N 325.437 4.087 0 50 EIAA COc1ccc(/C=C/c2nn3c(CSC(C)C)nnc3s2)cc1 1775972278 RAEGKYJMRJRRFD-RMKNXTFCSA-N 346.481 4.006 0 50 EIAA CCOP(=O)(CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)OCC 1776004564 USUDRIVEPCFALO-GFCCVEGCSA-N 347.779 4.126 0 50 EIAA N#CN(Cc1nc(-c2ccccc2F)no1)c1ccc(F)c(Cl)c1 1875365413 UIQHJVDGPKMYQN-UHFFFAOYSA-N 346.724 4.156 0 50 EIAA COc1ccc(CSc2nnc(-c3ccc(OC)cc3)o2)cc1 64255 CSBCUKRPNCXILD-UHFFFAOYSA-N 328.393 4.046 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)cc1OC 116095 GRXBLEHVUZFEDM-ZRDIBKRKSA-N 325.408 4.479 0 50 EIAA COc1ccc(-c2cn3cc(Cl)ccc3n2)cc1Br 459288 NYZCOBMZMMWQIV-UHFFFAOYSA-N 337.604 4.426 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(C)c1 588451 WZEFRFRPNZIUDN-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA CCOc1ccc(Cc2noc3c2C(=O)CC(C)(C)C3)cc1OCC 1423528 OHSSFPHALMYHDC-UHFFFAOYSA-N 343.423 4.218 0 50 EIAA CCN(CC)CCCOC(=O)N(Cc1ccc(Cl)cc1)C1CC1 1726845 QRGYPNLNCBAANQ-UHFFFAOYSA-N 338.879 4.173 0 50 EIAA Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CCC2 2558472 UHHHXUKDIAKLAZ-UHFFFAOYSA-N 326.343 4.090 0 50 EIAA Cc1cc(Br)ccc1OCCCN1CCCCCC1 2838908 ZGTODYPOZYUDQE-UHFFFAOYSA-N 326.278 4.402 0 50 EIAA O=S(=O)(Oc1cccc2cccnc12)c1ccc2ccccc2c1 3077260 LIVYRCFRPZEPCI-UHFFFAOYSA-N 335.384 4.156 0 50 EIAA CCOC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 4659180 KGJZVZOWHOFLDX-UHFFFAOYSA-N 325.408 4.413 0 50 EIAA Clc1ccccc1COc1ccc(CNCC2CCNCC2)cc1 10434552 ZVCSIXJZIIJHST-UHFFFAOYSA-N 344.886 4.008 0 50 EIAA Cc1cnccc1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1F 11820686 NJJMMFXIDTYPHG-FQEVSTJZSA-N 348.421 4.368 0 50 EIAA Sc1nnc(Cc2ccc(-c3ccccc3)cc2)n1Cc1ccco1 17072275 PYUCEEYCSPTMBD-UHFFFAOYSA-N 347.443 4.466 0 50 EIAA Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 20448874 DFKGENUDQGJFOH-OAQYLSRUSA-N 346.409 4.178 0 50 EIAA CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)no1 21719109 MEJYAPWQSQWQKM-INIZCTEOSA-N 332.831 4.358 0 50 EIAA C[C@@H](c1nccs1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67490917 FVSHPUKLUFHRQK-AWEZNQCLSA-N 349.463 4.046 0 50 EIAA Cc1ccc(Oc2cccc(C(=O)Nc3cc(F)ccc3F)c2)nn1 72437835 YNBXITUHOISNHZ-UHFFFAOYSA-N 341.317 4.108 0 50 EIAA O=C(CS[C@H]1CCc2c(F)cc(F)cc21)Nc1cccc(F)c1 170618743 XYOBVEQKWKCEMX-INIZCTEOSA-N 337.366 4.463 0 50 EIAA CC(C)(O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)cc2)C1 222691903 IBIMEEZMKICJEX-QGZVFWFLSA-N 341.426 4.116 0 50 EIAA CC(C)(C)OC(=O)NC[C@H](NCc1cccc2cc[nH]c12)C(C)(C)C 225589227 TZYZPXVDMGFXCH-INIZCTEOSA-N 345.487 4.197 0 50 EIAA Cc1cc(Cl)nc(CNC(=O)c2ccc(SC(C)C)cc2)c1 225709340 RVWZMJDFPNEJCE-UHFFFAOYSA-N 334.872 4.474 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)no1 241470687 NXALZTGYIYYABN-UXLLHSPISA-N 330.815 4.104 0 50 EIAA C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CCCC[C@H]1C 245265817 IGJROBULCVXYHC-VKJFTORMSA-N 345.483 4.224 0 50 EIAA C[C@@H](Cc1cnccn1)NC(=O)Nc1ccc(C2CCCCC2)cc1 299796961 QITCAFZXXRCGMH-HNNXBMFYSA-N 338.455 4.277 0 50 EIAA O=C(c1cnoc1-c1ccccc1)N1CCc2c([nH]c3ccccc23)C1 426697269 CNIBABGQXRZSNT-UHFFFAOYSA-N 343.386 4.021 0 50 EIAA O=C(Nc1nnc(-c2ccsc2)s1)N(Cc1ccoc1)C1CC1 929909074 PGSMMDVBVKFSQU-UHFFFAOYSA-N 346.437 4.056 0 50 EIAA Cc1ccccc1-n1ncc(NC(=O)N2CCCCC2)c1C(F)F 931829139 QIOBXXHHPDUXFX-UHFFFAOYSA-N 334.370 4.136 0 50 EIAA CCCN(Cc1cccc(OC)c1)C(=O)c1cnc2c(c1)CCCC2 952977101 AUYDEVXRPZKSED-UHFFFAOYSA-N 338.451 4.021 0 50 EIAA CCN(CC)[C@H]1CCN(C(=O)N2CCCc3cc(C(C)C)ccc32)C1 1875357950 CUTPHLBLKOLJOQ-IBGZPJMESA-N 343.515 4.099 0 50 EIAA c1ccc([C@H](c2ccccn2)N2CC[C@]3(C2)OCc2ccccc23)cc1 2325799751 WDGDUEVSHSNWLF-DHIUTWEWSA-N 342.442 4.302 0 50 EIAA O=C(NCCc1ccc2occc2c1)N[C@@H]1C[C@H]2C[C@H]3C[C@@H](C2)[C@H]1C3 2325879837 JJRDFYAWCKCORT-WAARBJQMSA-N 338.451 4.099 0 50 EIAA O=C(COc1ccc(Br)cc1)Nc1ccccc1Cl 37569 WLSAXWQULVZTQD-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA Cc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1C 82644 OFINOPMUXWZXES-UHFFFAOYSA-N 347.340 4.311 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc(C)c1C 87447 FUGNVZTUVUCGDN-UHFFFAOYSA-N 339.363 4.072 0 50 EIAA COc1ccc(-c2nc(NC(=O)c3cccs3)sc2C)cc1 260318 JKDUHNWWMQJRFN-UHFFFAOYSA-N 330.434 4.441 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 316262 ONARGDICQVYXOO-UHFFFAOYSA-N 326.396 4.075 0 50 EIAA Cc1ccc(OCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 367835 APUBPROOIAQINV-UHFFFAOYSA-N 326.179 4.025 0 50 EIAA COc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 384130 IYFFRHUOOJIBNK-NRFANRHFSA-N 346.382 4.476 0 50 EIAA COc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1 554471 YGYVVBIUHRODRB-UHFFFAOYSA-N 347.370 4.313 0 50 EIAA Cc1cccc(-c2nnc(-c3ccc(NC(=O)C(F)(F)F)cc3)o2)c1 4806541 FBVADZAQNSEGDY-UHFFFAOYSA-N 347.296 4.213 0 50 EIAA FC(F)(F)c1cccc(CNC2CCN(Cc3ccccc3)CC2)c1 4989401 ZCZCAJIXYAHDAP-UHFFFAOYSA-N 348.412 4.460 0 50 EIAA CC(C)[C@@H](O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CCO2 14886280 KAPYUUODZIYLOK-HXUWFJFHSA-N 345.870 4.424 0 50 EIAA Oc1ccc(-c2ccc(-c3nc(COc4ccccc4)no3)cn2)cc1 72166272 KWOHHVQNWVQDHR-UHFFFAOYSA-N 345.358 4.083 0 50 EIAA CC(C)c1noc([C@@H](C)n2ccnc2-c2ccnc3ccccc23)n1 72174565 JAQLOMRYIDXXTR-CYBMUJFWSA-N 333.395 4.214 0 50 EIAA CCOc1ccccc1CCCNC(=O)c1sc(C(C)C)nc1C 91695273 KXKHRYAXIPJVDD-UHFFFAOYSA-N 346.496 4.336 0 50 EIAA O=C(c1cnccn1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 155030651 HDSIMNFLEWIEOU-UHFFFAOYSA-N 348.233 4.103 0 50 EIAA Cc1ccn(OCCCc2ccccc2Br)c(=S)c1 170613130 WZOITLGTFWMCNF-UHFFFAOYSA-N 338.270 4.350 0 50 EIAA CC(C)N(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1CCOC1 241720925 QTKCZXIJCQJTND-CYBMUJFWSA-N 333.815 4.240 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 242592348 OQHMNEGOKQMOFM-OHFNBNKZSA-N 332.484 4.242 0 50 EIAA O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@]12C(=O)Nc1ccccc12 245255270 GTULREJDOUZDPM-RTXMHDOLSA-N 349.817 4.235 0 50 EIAA O=C(Nc1c[nH]nc1-c1ccccc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 269399659 CAUCCKBDJSHWQO-QWHCGFSZSA-N 337.345 4.384 0 50 EIAA O=C(Nc1ccccc1)c1nc(Cc2cccc3ccccc23)no1 445189294 ORTOXSQDFGTLSP-UHFFFAOYSA-N 329.359 4.066 0 50 EIAA Cc1cc(CN(C)Cc2sccc2NC(=O)OC(C)(C)C)no1 864089731 SNEQKAIMGXJKRS-UHFFFAOYSA-N 337.445 4.024 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@@H]3c3cccnc3)c(C)c2c1 952985186 QJJASLOGXLPXBT-GOSISDBHSA-N 333.435 4.465 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Nc1ccc(C)c(Cl)c1)C2 1704298747 MXQQKDVIMFMJGY-AEFFLSMTSA-N 336.863 4.461 0 50 EIAA CCCSCc1nnc2sc([C@@H](CC)c3ccccc3)nn12 1775972284 RPYUTSZEXJVCAB-ZDUSSCGKSA-N 332.498 4.371 0 50 EIAA CC(C)Cc1ccc([C@H](C)NC(=O)[C@@]2(CN)C[C@@H]3CCC[C@@H]3C2)cc1 2325827767 PZGUFLNMZYJBFX-IBHRTIHJSA-N 342.527 4.218 0 50 EIAA COc1ccc(CCNc2ccc3cncc(F)c3c2)cc1OC 2325855639 IXHQRPODAREDCQ-UHFFFAOYSA-N 326.371 4.046 0 50 EIAA O=C(NC[C@@H]1CCCO1)N1c2ccccc2Sc2ccccc21 91234 JREVVDNYEBPNSB-ZDUSSCGKSA-N 326.421 4.178 0 50 EIAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)Cc1ccccc1 106353 MFPFLUDAYBQMGG-UHFFFAOYSA-N 343.386 4.379 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)c1cncc(Br)c1 121131 OEDJEDHFRZZSHP-UHFFFAOYSA-N 325.593 4.058 0 50 EIAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 353647 DQLHOGMKHODOSV-UHFFFAOYSA-N 339.844 4.144 0 50 EIAA COc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1Cl 472271 WVPCOUOKACFGGJ-JTQLQIEISA-N 340.206 4.408 0 50 EIAA O=C1C[C@H](c2cccc3ccccc23)c2c(c3ccccc3oc2=O)O1 1426884 FUJLTSIRIILQHI-QGZVFWFLSA-N 342.350 4.387 0 50 EIAA CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc12 2667423 XEZGUJVZAJUTDE-UHFFFAOYSA-N 326.348 4.294 0 50 EIAA biogenic CC(C)(c1ccccc1)c1ccc(OCCCCn2cncn2)cc1 2845347 YJRDVNRCBCPZCQ-UHFFFAOYSA-N 335.451 4.463 0 50 EIAA COc1ccc(C2=NNC(c3ccccc3)=Nc3ccccc32)cc1 2901668 PYNNYOQJFUANST-UHFFFAOYSA-N 327.387 4.129 0 50 EIAA COc1ccc(-c2noc(CSc3ccc(C)cc3)n2)cc1OC 4840236 HWGSHTLMSJDAFK-UHFFFAOYSA-N 342.420 4.355 0 50 EIAA Cc1[nH]c2ccc(CNC(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2c1C 71767773 MVKDQRDSIVHCBJ-QUCCMNQESA-N 333.435 4.140 0 50 EIAA C[C@@H](c1ccc(-c2ccccc2OCCN(C)C)cc1)N1CCCC1 96140863 JBGMAYYFEUHSQT-SFHVURJKSA-N 338.495 4.451 0 50 EIAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 100626806 XVOWXCZBOOULSU-KODHJQJWSA-N 333.387 4.014 0 50 EIAA CCN(CC1CC1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 112204300 GLLZPIKPTLXKDD-UHFFFAOYSA-N 333.432 4.137 0 50 EIAA CC1(C)CC(NC(=O)c2ccc(OC3CCCC3)cc2)CC(C)(C)N1 145810637 SGJQDYPECCNHHB-UHFFFAOYSA-N 344.499 4.047 0 50 EIAA CC(C)(C)C1CCC(=CC(=O)N2CCCC[C@H]2c2ncon2)CC1 154331837 KGQNQMJYZLFDJZ-LYKKTTPLSA-N 331.460 4.286 0 50 EIAA CCn1c(NCc2ccccc2OCCOC)nc2cc(C)ccc21 170595989 HQCHCKIKVPPWSX-UHFFFAOYSA-N 339.439 4.002 0 50 EIAA CC(=O)Nc1cccc(C(=O)Nc2sc(C)nc2CC(C)C)c1C 188666473 FPLIJIYXZLVMRK-UHFFFAOYSA-N 345.468 4.169 0 50 EIAA O=C(Nc1cnns1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 192365578 AUJHESLTTSYWLS-CYBMUJFWSA-N 336.848 4.341 0 50 EIAA O=C(NCc1ccc2ncccc2c1)Nc1cccc(-c2ncco2)c1 193853261 QDVZQRSQJKIJQP-UHFFFAOYSA-N 344.374 4.212 0 50 EIAA CCO[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)C1 252490311 KOYXLGPMBAXCMW-CQSZACIVSA-N 330.350 4.047 0 50 EIAA Cc1c(C2CCCCC2)noc1NC(=O)CCc1nc(C(C)C)no1 291430372 JFEPYXMLEVDZCP-UHFFFAOYSA-N 346.431 4.108 0 50 EIAA Clc1ccc2ccc(CN3CCC(c4ncco4)CC3)nc2c1 931442644 DENVQADGZYEPCI-UHFFFAOYSA-N 327.815 4.256 0 50 EIAA COc1cccc(-c2csc(NC(=O)C(C3CC3)C3CC3)n2)c1 2325821884 JRQJXXYGFSVIIA-UHFFFAOYSA-N 328.437 4.193 0 50 EIAA CCc1ccnc(NC(=O)c2ccc(-c3noc(C(C)C)n3)cc2)c1 2356138215 IJKZRKLVJDDFTI-UHFFFAOYSA-N 336.395 4.070 0 50 EIAA O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1O 1178 QBSGXIBYUQJHMJ-UHFFFAOYSA-N 326.577 4.060 0 50 EIAA in-vitro CCOC(=O)CC(=O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 400018 BBORHOIJQPSMIW-UHFFFAOYSA-N 349.386 4.046 0 50 EIAA COC(=O)c1ccc(COC(=O)c2ccc(Cl)c(Cl)c2)cc1 471274 OMJDROHEMPCHJH-UHFFFAOYSA-N 339.174 4.137 0 50 EIAA CC1CCN(c2ccccc2NC(=O)C(Cl)(Cl)Cl)CC1 621018 NWUDOGPGDSVLIV-UHFFFAOYSA-N 335.662 4.232 0 50 EIAA O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCCC1 2867871 YYNVMHJYMWNLDR-UHFFFAOYSA-N 337.810 4.186 0 50 EIAA COc1ccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)cc1OC 4163229 QPXZHUUPJQXXCY-UHFFFAOYSA-N 340.423 4.222 0 50 EIAA COC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4649495 MTAVVMGSJIXDHN-UHFFFAOYSA-N 328.412 4.020 0 50 EIAA C[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 4854281 PGSOREYYNHHTPA-RNCFNFMXSA-N 349.253 4.400 0 50 EIAA Cc1ccnc(NC(=O)c2cc(Br)ccc2Cl)c1 6614819 FICWKLBEYPTDRX-UHFFFAOYSA-N 325.593 4.058 0 50 EIAA Fc1ccc(-c2cnnc(N3CCC[C@H]3c3ccc(F)cc3)n2)cc1 11703758 ZSGFFNVUMAGDFG-SFHVURJKSA-N 338.361 4.158 0 50 EIAA Cc1cc([C@H]2CCCCN2Cc2cc(F)ccc2-n2cccn2)no1 97463470 PBZJXARKPSCIOZ-LJQANCHMSA-N 340.402 4.035 0 50 EIAA CN(C)[C@@H]1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)C1 104101485 ZKDREEBMTDTLGO-CQSZACIVSA-N 340.858 4.111 0 50 EIAA CC(C)Sc1ccccc1NC(=O)NC[C@@H](c1ccco1)N(C)C 135403423 LGWJBGPZMZUZKF-HNNXBMFYSA-N 347.484 4.205 0 50 EIAA Cc1nnc(CC(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)o1 178091827 OMRJUWZTBAJYHK-SFHVURJKSA-N 347.846 4.012 0 50 EIAA COc1ccc(-c2nn(-c3ccc(Br)cc3)cc2O)cc1 215851117 HSWFBPLEAQDMQZ-UHFFFAOYSA-N 345.196 4.016 0 50 EIAA CCn1nc(CC(C)C)cc1C(=O)N(C)Cc1cccc(SC)c1 215974137 QEDVWAGHLNBHIL-UHFFFAOYSA-N 345.512 4.096 0 50 EIAA Cc1nc([C@H]2CCCN2C(=O)NCC2CCC(F)(F)CC2)cs1 239636934 BHOZTZYKXLNVPQ-CQSZACIVSA-N 343.443 4.124 0 50 EIAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(C(=O)O)ccc4[C@H]3CC[C@]12C 261494740 BQUPETXJTSLVRT-FKAKKMJLSA-N 342.435 4.173 0 50 EIAA O=C(CSc1ccc(Cl)cc1)N[C@H]1COC2(CCCCC2)C1 426701549 DRIFLKBOONWDQS-CQSZACIVSA-N 339.888 4.040 0 50 EIAA CCCCc1nc(C[C@@H](C)C(F)F)n(-c2cc(F)cc(F)c2)n1 1875348355 OKELEXVHVIGVSH-SNVBAGLBSA-N 329.341 4.332 0 50 EIAA Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ccc3c(=O)ccoc3c2)c1 2325701029 VWLZCWRQXUUFPE-HNNXBMFYSA-N 335.403 4.243 0 50 EIAA Cc1cc(OCc2nc(-c3ccccc3)no2)ccc1Br 341669 ILCWLWRQGGVYEA-UHFFFAOYSA-N 345.196 4.387 0 50 EIAA Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccco2)cc1 373974 PRUUATSTWGAHOX-UHFFFAOYSA-N 331.375 4.463 0 50 EIAA Cc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)n1 616178 CIDGSYOLFSUAOX-UHFFFAOYSA-N 327.236 4.375 0 50 EIAA CCCOc1cc(C)c(S(=O)(=O)NC2CCCCCC2)cc1C 2869595 WOJXEIWJFBCMHY-UHFFFAOYSA-N 339.501 4.093 0 50 EIAA CC1CCN(CCOCCOc2cc(Cl)ccc2Cl)CC1 2953008 PANUWMAXRLNGBO-UHFFFAOYSA-N 332.271 4.121 0 50 EIAA CCc1ccccc1OCCOCCOc1cccc2cccnc12 2994748 ZZXGKPJBUZSPQN-UHFFFAOYSA-N 337.419 4.272 0 50 EIAA CCCCC/C=C/C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 4095813 VNYSSYRCGWBHLG-IMSBXONOSA-N 336.472 4.158 0 50 EIAA in-vitro Cc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1 5396787 LKAMBAFQFRRNKU-UHFFFAOYSA-N 328.774 4.060 0 50 EIAA Cc1ccc(-c2noc(CN(C(=O)c3ccccc3)C(C)C)n2)cc1 6702474 ZMBYRDLLBBOIGQ-UHFFFAOYSA-N 335.407 4.096 0 50 EIAA O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(Cl)cc1 8771160 LVQRYKORROQUMP-UHFFFAOYSA-N 333.775 4.250 0 50 EIAA O=C(NC1CC1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 13641506 NVNIYCYUTVGXSL-UHFFFAOYSA-N 345.358 4.042 0 50 EIAA O=C(CCC1CCN(C23CC4CC(CC(C4)C2)C3)CC1)N1CCCC1 14976607 UESOGEFVMUBQFB-UHFFFAOYSA-N 344.543 4.070 0 50 EIAA O[C@H](CNCc1ccc(OCc2ccccc2)cc1)c1ccccc1 16480406 PJFCCGOBCVOMPV-JOCHJYFZSA-N 333.431 4.089 0 50 EIAA C1=C[C@H]2C[C@@H]1C[C@H]2CCn1ccnc1-c1cnc(-c2ccccn2)nc1 71752490 RMOCIMNVVXELRO-IXDOHACOSA-N 343.434 4.004 0 50 EIAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3csc(C)c3)[nH]c2c1 77439290 TUYQMVOQXGRJLU-INIZCTEOSA-N 325.437 4.219 0 50 EIAA CNC(=O)c1cccc(-c2cccc(OCc3cccc(OC)c3)c2)c1 96152473 GRNLCAFUDKKMFC-UHFFFAOYSA-N 347.414 4.301 0 50 EIAA O=C(O)CCC1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 97632008 AKIVXLWBYMYGMR-UHFFFAOYSA-N 348.443 4.026 0 50 EIAA NC1CCC(NC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 131833977 ZJVKMUDHWIAHSO-UHFFFAOYSA-N 328.843 4.007 0 50 EIAA CC[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ncccc1C 220737865 HBEYPPBEAOAAHN-HNNXBMFYSA-N 336.357 4.219 0 50 EIAA Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 239235804 WTGAUOGKNHJVTI-IQGAEYHTSA-N 345.398 4.099 0 50 EIAA O=C(O)C[C@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1 275279602 KWYSYOABSHMTEH-MRXNPFEDSA-N 338.407 4.131 0 50 EIAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 333531698 QGHMYPVCVCBMAC-BZSNNMDCSA-N 344.503 4.089 0 50 EIAA CC(C)Oc1nn(C)c2ccc(NC(=O)Nc3cccc(F)c3)cc12 675028426 UAVJDHHIFZBWJA-UHFFFAOYSA-N 342.374 4.144 0 50 EIAA CC1(c2cc(NC(=O)N[C@@H](c3ccncc3)C3CC3)no2)CCCC1 931132905 VWIQSJFOILWCIX-QGZVFWFLSA-N 340.427 4.174 0 50 EIAA COc1cccc2ccc(NCC3(N4CCCCC4)CCCC3)nc12 1529118246 HNTAFVZDNJKICL-UHFFFAOYSA-N 339.483 4.454 0 50 EIAA CC1=CC2(CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)OCC1 1704325438 LPXKBOXTWQSKPS-GOSISDBHSA-N 331.456 4.222 0 50 EIAA C[C@H](CN[C@H](Cn1ccnc1)c1ccc(F)cc1)c1cccc(F)c1 2325745005 LQVNILLLQDQROK-FOIQADDNSA-N 341.405 4.296 0 50 EIAA CCO[C@@H](C)c1ccc(-c2cnc3c(OC(C)C)nccn23)cc1 2356142590 YWUMZWYAWVMNPO-AWEZNQCLSA-N 325.412 4.281 0 50 EIAA CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1 122831 IHTYUXMCBKVTBX-INIZCTEOSA-N 345.240 4.426 0 50 EIAA COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 184344 MPEZJSYGXVVBLY-UHFFFAOYSA-N 343.386 4.491 0 50 EIAA Clc1cccc(Cl)c1CN1CCC(N2CCCCC2)CC1 213187 OXFNVFWJJDCUBY-UHFFFAOYSA-N 327.299 4.444 0 50 EIAA CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)c3ccccc3)ccc12 450607 VKKTUKJLCLXTQU-AWEZNQCLSA-N 336.387 4.314 0 50 EIAA COC(=O)c1ccccc1NC(=S)Nc1ccccc1C1CC1 469737 YBOIKSXVLAZNJW-UHFFFAOYSA-N 326.421 4.160 0 50 EIAA O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccco1 510263 WVYQMRINNWFNSB-UHFFFAOYSA-N 331.331 4.249 0 50 EIAA CN(C)CCCNc1nc(-c2cccc(Cl)c2)nc2ccccc12 1910695 IHMYBUOEFXGBMR-UHFFFAOYSA-N 340.858 4.314 0 50 EIAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 2577883 ZWLSFMKIYINIHZ-KRWDZBQOSA-N 341.407 4.394 0 50 EIAA in-vitro Cc1ccc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 2868900 RCQPFGZNOUAREX-GOSISDBHSA-N 341.476 4.196 0 50 EIAA Cc1cc(Br)ccc1NC(=S)NCCc1ccccc1 3326885 AKPJLXHDLXRGMI-UHFFFAOYSA-N 349.297 4.287 0 50 EIAA COc1ccc(-c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1OC 4870278 UPBPUBZJTPEZNQ-UHFFFAOYSA-N 330.771 4.120 0 50 EIAA COC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCC2 6546492 LQEPNBVCFUCMEE-UHFFFAOYSA-N 346.477 4.141 0 50 EIAA CC[C@H](C)Oc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 7342056 FUKKJPDJIVPUIP-SWLSCSKDSA-N 339.391 4.067 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)CCc1ccccc1 7720916 MMCBYFLPZGYNIN-UHFFFAOYSA-N 349.434 4.026 0 50 EIAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2ccncc2)C1 11938389 CSOMEFJHBLTJGH-MRXNPFEDSA-N 328.843 4.138 0 50 EIAA O=C1CC[C@@H](CCNCc2ccccc2F)N1C1CCCCCCC1 12134816 NHLIZROZLMZLLZ-IBGZPJMESA-N 346.490 4.409 0 50 EIAA C[C@@H](CN1CCC(n2cc(C3CCCC3)nn2)CC1)c1ccccc1 55403552 GYFUQBVSSDYVQI-KRWDZBQOSA-N 338.499 4.376 0 50 EIAA CCSc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 55703518 QFFKQSRHUHRGNU-UHFFFAOYSA-N 340.448 4.178 0 50 EIAA C[C@@H](c1ccon1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 65498019 FLXQKZOMZCYBEO-NSHDSACASA-N 330.771 4.421 0 50 EIAA COCC1(Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)CC1 65506622 XPGUCISKHSFYAE-UHFFFAOYSA-N 334.419 4.349 0 50 EIAA O=C1COc2ccc(-c3cccc(-c4ccc(Cl)cc4)n3)cc2N1 71785265 MZIDVHRTZHCFOL-UHFFFAOYSA-N 336.778 4.400 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2O)n[nH]1 96148066 WZSCKUIMXCXGSW-IBGZPJMESA-N 347.418 4.068 0 50 EIAA COc1ccc(Cn2cc(-c3ccc(C(=O)C4CC4)cc3)cn2)cc1 96180223 FQOWNXXYKHNLME-UHFFFAOYSA-N 332.403 4.200 0 50 EIAA Cn1cncc1CCC(=O)N[C@H](CC1CCCCC1)c1ccccc1 170610629 PCNWJOIYVMVVNE-HXUWFJFHSA-N 339.483 4.181 0 50 EIAA CCc1onc(C)c1NC(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 421080333 DNZLOSKWKDDLNH-LJQANCHMSA-N 345.418 4.314 0 50 EIAA COCc1cc(Cl)ccc1NC(=O)N[C@H]1c2ccccc2O[C@@H]1C 425747204 FKYDQAXKMXGCPC-PIGZYNQJSA-N 346.814 4.130 0 50 EIAA O=C(c1cc(Cl)c[nH]1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1 426580638 DPAOCAKFXOXIQZ-IOMDMTNGSA-N 344.842 4.003 0 50 EIAA Cc1cccc(C2=CCN(Cc3ccc(C(=O)O)c(F)c3)CC2)c1C 903962953 QKOHDHHAISOTON-UHFFFAOYSA-N 339.410 4.430 0 50 EIAA Fc1cccc(-c2nc(CN3CC[C@@H](Cc4nccs4)C3)co2)c1 934334518 AMYFOHXQWJKVIC-ZDUSSCGKSA-N 343.427 4.002 0 50 EIAA CC[C@H]1C=CCN1C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 952869233 GMEQBMDHBCFQGJ-QFIPXVFZSA-N 346.474 4.036 0 50 EIAA C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(N2CCCC2)c(Cl)c1 1506401689 LCGDRXXZXGISFU-AWEZNQCLSA-N 343.858 4.168 0 50 EIAA Cc1cc(CN2CCCC[C@@H]2C)c(C)c(C(=O)C2CCOCC2)c1 1772817586 FLDLGZNTKCFABI-INIZCTEOSA-N 329.484 4.287 0 50 EIAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc2cnccc2s1 2325854807 VUOXSNRUYZOSJP-JTQLQIEISA-N 347.827 4.059 0 50 EIAA Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c(C)c1 74508 AGMXZQIFUQUTRH-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA CCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc21 94132 JCHHKUIOTDVMQD-UHFFFAOYSA-N 336.420 4.399 0 50 EIAA CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 146111 ONKAQSBJUSCRJN-MDZDMXLPSA-N 345.420 4.049 0 50 EIAA O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1cccs1 273095 RAAXADPLMZBAEC-LBPRGKRZSA-N 349.670 4.286 0 50 EIAA COc1ccc2c(=O)cc(-c3ccc4c(c3)OCCCCO4)oc2c1 407281 WWNMECDYFROPLH-UHFFFAOYSA-N 338.359 4.020 0 50 EIAA biogenic COC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CC[C@H](C)C2 473831 DUBROZCEPXVLTR-NSHDSACASA-N 344.436 4.304 0 50 EIAA COc1ccc(-c2csc(NCCc3ccccc3)n2)cc1OC 613569 LXZLTSKNDAGVER-UHFFFAOYSA-N 340.448 4.482 0 50 EIAA CCCCC(=O)Nc1cc(C)c(I)cc1C 2858893 FCSRTUZXLQHXBU-UHFFFAOYSA-N 331.197 4.037 0 50 EIAA O=C(OCc1nnc(-c2ccccc2)o1)c1cccc2ccccc12 3531640 IMBKQDWRFVWEMJ-UHFFFAOYSA-N 330.343 4.247 0 50 EIAA C[C@@H]1CN(C)[C@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 4011369 STYAGPHRIVPVTJ-HLIPFELVSA-N 337.463 4.090 0 50 EIAA COc1ccc([C@H](CC(=O)N(C)CC(C)C)c2ccccc2)cc1 11951358 BTFUPLGAIHTEKW-HXUWFJFHSA-N 325.452 4.332 0 50 EIAA Cc1c([C@@H](C)NCc2cccc(F)c2F)cnn1-c1cccc(F)c1 12582024 VTDFCVFWXIUDSU-GFCCVEGCSA-N 345.368 4.449 0 50 EIAA COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)c1 20550833 BFKMACRPIPGOOE-ZDUSSCGKSA-N 340.423 4.075 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(OC)c1 36620929 UEVNWWSVDJDZNC-KRWDZBQOSA-N 344.386 4.212 0 50 EIAA COc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc(OC)c1 36621094 CMFSDCXWKAUCHW-LJQANCHMSA-N 340.423 4.381 0 50 EIAA C[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 55244875 YXXZBIBMCBSIBB-OAHLLOKOSA-N 335.382 4.019 0 50 EIAA Cc1ccc(CN(C(=O)c2cccc(-c3cn[nH]c3)c2)C2CC2)s1 97635109 WYAYFBHZBGFXAY-UHFFFAOYSA-N 337.448 4.251 0 50 EIAA C[C@@H]1CSc2ccccc2N1C(=O)c1csc([C@@H]2CCCO2)n1 122200797 YYSOTDVTGCVJOR-RISCZKNCSA-N 346.477 4.136 0 50 EIAA CC[C@H](NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)c1cccs1 177435104 JHFQKAQWDOPFOT-QWHCGFSZSA-N 348.472 4.252 0 50 EIAA CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)cc1 193715347 ZYNSERAEXBYZHG-IBGZPJMESA-N 325.456 4.220 0 50 EIAA CC(C)(C)Cc1csc(NC(=O)c2ccncc2C(F)(F)F)n1 239351933 AARGVABBUHQKSH-UHFFFAOYSA-N 343.374 4.398 0 50 EIAA Cc1cccnc1[C@H](NC(=O)c1cc(O)c2ccccc2c1)C(C)C 241132742 JLIYJWAUWIUDHD-LJQANCHMSA-N 334.419 4.376 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(-c2ccc(F)cc2)o1 263498812 KHHRUFCKGUPURP-JLSDUUJJSA-N 343.398 4.303 0 50 EIAA Cc1nc2c(CCNC(=O)Nc3scnc3C(C)C)cccc2o1 931666254 MGFXQFMOYCDBLC-UHFFFAOYSA-N 344.440 4.080 0 50 EIAA Cn1ncc(C2CC2)c1C=C(Cl)c1nc2cc(F)c(F)cc2[nH]1 1857530326 IAJXWJMWSWELDY-UHFFFAOYSA-N 334.757 4.189 0 50 EIAA COc1cccc(-c2ncc(-c3nccn3C[C@@H]3CC3(F)F)s2)c1 1857691028 SONYXAYJPVZFQY-LBPRGKRZSA-N 347.390 4.337 0 50 EIAA NCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1 1875361782 BHBXKWJZNJKJLH-UHFFFAOYSA-N 328.415 4.015 0 50 EIAA CC(C)n1nc(-c2ccccc2Cl)nc1[C@H]1CC[C@H]2CCC(=O)N21 2325849630 VRXXJNJJWQVGRO-SWLSCSKDSA-N 344.846 4.005 0 50 EIAA O=C(O)[C@@H]1[C@H]2Cc3ccc(-c4c5c(cc6c4CCC6)CCC5)cc3[C@@H]21 2325853297 KZBCXTPOFWQBFZ-ILWGZMRPSA-N 330.427 4.301 0 50 EIAA O=C(OCc1cc2ncccc2s1)c1cc(-c2cccs2)[nH]n1 2325862855 LEGAURJKYBXASN-UHFFFAOYSA-N 341.417 4.105 0 50 EIAA COC(=O)[C@@H]1CC12CCN(C/C(=C\C(C)C)c1ccccc1)CC2 2356136844 MBFJJYWMJLKCGR-BIRYMOPTSA-N 327.468 4.001 0 50 EIAA COC(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 562715 MNTYACBRAFWNHA-UHFFFAOYSA-N 349.839 4.248 0 50 EIAA COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl 619694 LFQYZLJIGOUIKM-UHFFFAOYSA-N 339.844 4.075 0 50 EIAA CN(C(=O)OCc1ccccc1)C1(CN2CCCC2)CCCCC1 4289980 HOGPUKJJBGBCIG-UHFFFAOYSA-N 330.472 4.054 0 50 EIAA c1ccc(SCc2nnc3sc(-c4cccs4)nn23)cc1 6747314 UFHUZBVGVAGCLV-UHFFFAOYSA-N 330.463 4.207 0 50 EIAA Fc1ccccc1CNCc1cccnc1Oc1ccccc1F 12320854 YWHXXRXCURFTEQ-UHFFFAOYSA-N 326.346 4.442 0 50 EIAA CC(C)CN(C/C=C/c1ccccc1)C(=O)c1ccc2nccn2c1 55060898 WSWJNBUIBPJBAC-RMKNXTFCSA-N 333.435 4.146 0 50 EIAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(COC)o1 55154830 OJHUUWIUTUOXLL-UHFFFAOYSA-N 344.411 4.115 0 50 EIAA c1ccc(Cn2ccnc2-c2ccc(CN3CCCCC3)s2)nc1 67491127 ZBTRCAXGRVYDSR-UHFFFAOYSA-N 338.480 4.041 0 50 EIAA COc1cccc(OC)c1-c1ccc(-c2nc(CC(C)C)no2)cn1 72145774 UDBWOMWGUBBFKD-UHFFFAOYSA-N 339.395 4.014 0 50 EIAA Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cc(C(C)C)n(C)n2)c1 122480943 ITGAFKPAENKMNK-GOSISDBHSA-N 325.456 4.138 0 50 EIAA O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@H]1C1CCC1 170620938 IXSJNEYYCPAXND-KRWDZBQOSA-N 329.831 4.135 0 50 EIAA CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 170677577 NXUZUKMPUTZNSE-BEFAXECRSA-N 326.440 4.030 0 50 EIAA CCn1ncc2ccc(N[C@H]3CCCOc4ccc(OC)cc43)cc21 182963874 GWQXAXNSTKCAAJ-SFHVURJKSA-N 337.423 4.391 0 50 EIAA CC(C)(C)n1ccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)c1 222782831 WOJLHJBNDJIBPF-IBGZPJMESA-N 339.483 4.266 0 50 EIAA COc1ccc(-c2ccc(CNC3CCC(C(=O)O)CC3)cc2)cc1 263388699 DQAHSELFWRMUSW-UHFFFAOYSA-N 339.435 4.095 0 50 EIAA C[C@H](C(=O)Nc1cccc2cnccc12)[C@@H]1OCCc2sccc21 295508962 USETZWGLZHRZTL-SGTLLEGYSA-N 338.432 4.185 0 50 EIAA CCS(=O)(=O)c1ccc(CN[C@H]2CCCC23CCCCC3)cc1 449253952 VFJYRECUCCOVLC-SFHVURJKSA-N 335.513 4.073 0 50 EIAA Cc1noc(C)c1[C@H](C)NC[C@@H]1CCN(c2ccccc2Cl)C1 926675056 HJNDGHOITDFLML-WFASDCNBSA-N 333.863 4.122 0 50 EIAA CCc1cc2c(N[C@@H](c3nccc(C)n3)C3CC3)nc(C)nc2s1 1775994677 NTDINFLCMPYNCU-OAHLLOKOSA-N 339.468 4.224 0 50 EIAA CCn1cnc(Cn2ccnc2-c2ccc(-c3ccc(OC)cc3)o2)c1 1857731181 BPORVWIGMVERIQ-UHFFFAOYSA-N 348.406 4.083 0 50 EIAA CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3C)cc12 83632 HMXGGJPFTFAVNG-UHFFFAOYSA-N 338.359 4.446 0 50 EIAA biogenic COC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 139489 PIPBTZSRGDJLSK-VIFPVBQESA-N 342.178 4.121 0 50 EIAA COc1ccc(Nc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 3880473 RLSLXGRAOXZSPO-UHFFFAOYSA-N 343.390 4.082 0 50 EIAA CC(C)COC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 4844772 WTAUUVCUWFNJEV-KIXDWZFYSA-N 349.430 4.056 0 50 EIAA CCCCC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 12496551 VNYSSYRCGWBHLG-CBBLYLIKSA-N 336.472 4.158 0 50 EIAA endogenous,in-man Cc1ccc(Cl)cc1N1CCN(C(=O)c2csc(C)c2C)CC1 13744210 GBTFRCAMQRUOHY-UHFFFAOYSA-N 348.899 4.289 0 50 EIAA C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=N)c1ccccc1 15951937 APDPXEKRBJHPKU-NSHDSACASA-N 326.783 4.057 0 50 EIAA C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 18077788 SYPMORGLIPPKAD-IYBDPMFKSA-N 336.435 4.057 0 50 EIAA c1cc(-c2ccc(OCCn3ccnc3)cc2)cc(-c2cc[nH]n2)c1 19787868 QVEVMYINKCABEI-UHFFFAOYSA-N 330.391 4.019 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)c2snnc2C(C)C)cc1 55053522 WKGSDIGDWZCPRG-UHFFFAOYSA-N 346.456 4.043 0 50 EIAA Cc1cc(Cn2cc(-c3cccc(Oc4ccccc4)c3)nn2)no1 82134565 RJAQOQYIXGNBCY-UHFFFAOYSA-N 332.363 4.082 0 50 EIAA CCc1csc(CC(=O)Nc2ccc(C)c(C(F)(F)F)c2)n1 170648249 JKVKKJNCHUUMSC-UHFFFAOYSA-N 328.359 4.214 0 50 EIAA CC(C)[C@H](C(=O)NC[C@@H](C)Sc1ccccc1)c1ccncc1 225749381 CNHFHXXIQKDOJJ-QAPCUYQASA-N 328.481 4.118 0 50 EIAA CCCOc1ccc(C(=O)OCC[C@H]2CCCN3CCCC[C@@H]23)cc1 226328492 FWXSOJYBKRVMJS-XLIONFOSSA-N 345.483 4.287 0 50 EIAA O=[S@](Cc1cccc(Nc2ncnc3[nH]ccc23)c1)c1ccccc1 360357330 ZUIOGUZZXJZSHF-RUZDIDTESA-N 348.431 4.009 0 50 EIAA c1ccc2cc(OCc3noc([C@@H]4CC45CCOCC5)n3)ccc2c1 377506739 IQZQBULIALGIKE-KRWDZBQOSA-N 336.391 4.086 0 50 EIAA Cc1ncc(C(=O)Nc2ccnn2C2CCCC2)c(-c2ccccc2)n1 1529144328 XXVASLCJCMMNHA-UHFFFAOYSA-N 347.422 4.016 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCC4(CC4)C3)[C@H]2C)cc1F 1875308966 JWXQANQDLPBHBG-NUEKZKHPSA-N 331.431 4.119 0 50 EIAA Cc1ncc(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)o1 2325820398 SSKZWNZEXYWQGI-UHFFFAOYSA-N 339.222 4.185 0 50 EIAA O=C(CCc1cncs1)Nc1ccc(Nc2ccc(O)cc2)cc1 2325864959 HBLQYYOJSYABAI-UHFFFAOYSA-N 339.420 4.164 0 50 EIAA C[C@@H](Cc1cnccn1)OC(=O)c1ccc2c(c1)oc1ccccc12 2325870684 KLAXAQTWUSDYHW-ZDUSSCGKSA-N 332.359 4.164 0 50 EIAA Cc1cc(C(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)sc1-c1ccccc1 2356136707 GJXLRENRCKGEOQ-FVQHAEBGSA-N 341.476 4.242 0 50 EIAA COc1ccc(C(=O)Nc2ccccc2Cl)cc1Br 38376 MOFBOQIOWRTOJX-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA Cc1nn(-c2ccccc2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12 2733832 SFYIPOSURKANRB-UHFFFAOYSA-N 339.349 4.067 0 50 EIAA CCOc1ccccc1OCCOCCOc1cc(C)cc(C)c1 2985457 PBFTXVPUKOULGN-UHFFFAOYSA-N 330.424 4.177 0 50 EIAA C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)ON1C 5211792 LJAMJJBEGUHOSV-GUYCJALGSA-N 345.830 4.138 0 50 EIAA COc1ccc(OC)c([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1 8590470 DIAZZOAUHKEUIQ-OAQYLSRUSA-N 349.434 4.465 0 50 EIAA O=C(CCC1CCN(Cc2ccc(Cl)s2)CC1)N1CCCC1 12192389 MZCDTSUZSKRXDD-UHFFFAOYSA-N 340.920 4.016 0 50 EIAA Clc1ccc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)s1 23359015 LHKNDMKISWHBJM-INIZCTEOSA-N 346.927 4.123 0 50 EIAA Cc1nc2c(C(=O)N3CCC[C@@H](CCc4ccccc4)C3)cccc2[nH]1 71763177 JTKCCJITVQHFAL-SFHVURJKSA-N 347.462 4.356 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N(Cc1ccc(F)cc1)CC(C)C 91655959 GBBIMOZZSFQHCY-UHFFFAOYSA-N 345.462 4.464 0 50 EIAA Cc1ccc2[nH]c(C(=O)N3CC[C@@H](Cc4ccccc4)C3)c(C)c2c1 92047067 UMJASCPPICSAJR-SFHVURJKSA-N 332.447 4.490 0 50 EIAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 95515406 KAXUDNWEDMVLAY-KRWDZBQOSA-N 343.446 4.151 0 50 EIAA C[C@H](NC(=O)Nc1cnn(Cc2cccc(F)c2)c1)C1=CCCCC1 96130766 YQKYCPPAFWLMEZ-AWEZNQCLSA-N 342.418 4.081 0 50 EIAA Cc1ncsc1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 114123195 PCYKNSNZHXCHHN-UHFFFAOYSA-N 349.525 4.225 0 50 EIAA Cc1ccc(F)c2c1CCCN2C(=O)c1csc([C@H]2CCCO2)n1 120809405 HFYWBGQOIWFMCP-OAHLLOKOSA-N 346.427 4.035 0 50 EIAA CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)s1 194766718 LRJZIFMWRHXTCZ-UHFFFAOYSA-N 342.464 4.107 0 50 EIAA CCn1c([C@H]2CCCN2C(=O)Cc2ccsc2)nc2ccccc21 195410158 IBPXBXQLCVKEJY-QGZVFWFLSA-N 339.464 4.024 0 50 EIAA Cc1c(C(=O)N(C)CCSc2ccccc2)[nH]c2c(F)cccc12 216249385 KWUOUQPWMBENFI-UHFFFAOYSA-N 342.439 4.480 0 50 EIAA C[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 245965992 YQXGPJZCNVPVFB-MKFDZEHOSA-N 333.497 4.110 0 50 EIAA CN1CCCN(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2)CC1 299760653 IRMALAHPYGSJAK-UHFFFAOYSA-N 343.858 4.176 0 50 EIAA Cc1cc(C)c2cc(CN3CCC[C@H](N4CCCC4)CC3)[nH]c2c1 481989921 CVYZECWUNQZZOX-IBGZPJMESA-N 325.500 4.235 0 50 EIAA O=C(c1cc2cc(Cl)sc2[nH]1)N1CC=C(c2ccccc2)C1 487157106 KKYNXLLQPRDMIT-UHFFFAOYSA-N 328.824 4.422 0 50 EIAA CCOc1nn(C)c2ccc(NC(=O)Nc3ccccc3Cl)cc12 675027895 GNXFRBKAIQRGLM-UHFFFAOYSA-N 344.802 4.269 0 50 EIAA Cc1cc([C@@H]2CCCN(C(=O)c3ccc(Cl)c4occc34)C2)n[nH]1 935853142 XESUAWOWPCVSSW-GFCCVEGCSA-N 343.814 4.138 0 50 EIAA CN(CCCOc1ccccc1)Cc1nc2ccc(Cl)cc2[nH]1 1529133971 JGJDVMRLSOYNKN-UHFFFAOYSA-N 329.831 4.117 0 50 EIAA Cc1nnc(N[C@H]2CCCN(Cc3cccs3)C2)c2ccccc12 1529185476 NCYGCMLYRRESDL-HNNXBMFYSA-N 338.480 4.076 0 50 EIAA COc1cccc(-c2ncc(-c3nccn3C[C@H]3CC3(F)F)s2)c1 1857691026 SONYXAYJPVZFQY-GFCCVEGCSA-N 347.390 4.337 0 50 EIAA C[C@@H](c1cccc(Cl)c1)N1CCC(CN)(c2ccccc2)CC1 1875316871 JZXNLDHTBUKCKD-INIZCTEOSA-N 328.887 4.394 0 50 EIAA Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 101849 HICPXMFCCURGLK-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA CC1=CC(C)(C)N(CN2C(=O)c3ccccc3C2=O)c2cc(C)ccc21 208599 UVTVCEOMVSKVMM-UHFFFAOYSA-N 346.430 4.251 0 50 EIAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1 444639 OTFMHOIPENBKDC-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA C[C@@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)O 2243719 MPPOHAUSNPTFAJ-SECBINFHSA-N 333.727 4.125 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)COc2c(C)cccc2C)c1 9229906 VLRZDDLASVXBOV-UHFFFAOYSA-N 340.423 4.060 0 50 EIAA CCCN(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 55118890 SJQIYXVFAOVVPL-HXUWFJFHSA-N 329.532 4.338 0 50 EIAA CCOc1cccc(CN(C(=O)c2cccc(C(C)=O)c2)C2CC2)c1 55370514 HIMPXGPACYUFGG-UHFFFAOYSA-N 337.419 4.093 0 50 EIAA CCOc1ccccc1-c1nccn1Cc1nc(-c2ccccc2)no1 71524616 HHRVMVPMNJTHTN-UHFFFAOYSA-N 346.390 4.047 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@H](CC2CCCCC2)[C@@H]1C(=O)O 221031383 VRVLZGWUBIRQEC-HUUCEWRRSA-N 325.449 4.057 0 50 EIAA CCCOc1ccc(C(=O)OCC[C@@H]2CCCN3CCCC[C@@H]23)cc1 226328486 FWXSOJYBKRVMJS-PXNSSMCTSA-N 345.483 4.287 0 50 EIAA O[C@]1(c2ccccc2)CC[C@@H](c2ccccc2)[C@]1(O)c1ccccc1 248070125 XQYDCDIWHVZGRN-RJGXRXQPSA-N 330.427 4.340 0 50 EIAA COc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c(C)n1 292853713 VUYQEQBPRNDYJP-SFHVURJKSA-N 337.423 4.158 0 50 EIAA O=C(NCc1cnc2ccccc2c1)c1ccc(-c2ccccc2)[nH]1 347298698 HKNKCNQKCONMFB-UHFFFAOYSA-N 327.387 4.160 0 50 EIAA O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1CCC(F)(F)C1 376449908 RYEVUCJELSTIEZ-VIFPVBQESA-N 343.280 4.048 0 50 EIAA Cc1ccc2ncccc2c1-c1nccn1CCC1CCN(C)CC1 1857694810 XUSPMEIGBLCCOT-UHFFFAOYSA-N 334.467 4.139 0 50 EIAA O=C(Nc1ccc2c(=O)[nH]ccc2c1)NC1(c2ccccc2)CCCC1 2325817092 DLYVDZUJNGDSRL-UHFFFAOYSA-N 347.418 4.119 0 50 EIAA COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1Cl 128507 XJDOYGKNHCVNRA-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 138413 KZZNPWMYQJUTPP-UHFFFAOYSA-N 340.331 4.429 0 50 EIAA COc1cc(NCc2ccccc2C(F)(F)F)cc(OC)c1OC 219911 SHGKPTGSPSFKES-UHFFFAOYSA-N 341.329 4.343 0 50 EIAA Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c1 367163 DZRJLYMKRRRLBH-UHFFFAOYSA-N 337.448 4.318 0 50 EIAA COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c2ccccc12 457973 AUZYGTDTESIPNQ-AQTBWJFISA-N 329.355 4.193 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)OC2=O 616815 VEHLFGATGHRFOT-CVEARBPZSA-N 342.222 4.054 0 50 EIAA COc1cccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1OC 4894092 LJPNUJTXERWOMC-UHFFFAOYSA-N 343.467 4.040 0 50 EIAA CCn1c(SCc2ccc(F)cc2)nnc1-c1cccc(OC)c1 13325761 HWJGEMFILBFPDB-UHFFFAOYSA-N 343.427 4.405 0 50 EIAA C[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN12 13616657 PGSOREYYNHHTPA-NOZJJQNGSA-N 349.253 4.400 0 50 EIAA Cc1cnc(NC(=O)c2sc(-c3ccccc3F)nc2C)s1 13722296 LSAHWSIDTUXZQC-UHFFFAOYSA-N 333.413 4.275 0 50 EIAA CN1CCN(CCCCOc2ccc(Cl)cc2C(C)(C)C)CC1 20118340 IHHXEMPNBVKAHX-UHFFFAOYSA-N 338.923 4.044 0 50 EIAA CCCCCCOc1ccc(CN2CCC(C(=O)OCC)CC2)cc1 23281525 DRJCDBDHGYWMCP-UHFFFAOYSA-N 347.499 4.421 0 50 EIAA CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 55133673 JLHJUSZBWDPXIJ-UWWQBHOKSA-N 341.451 4.145 0 50 EIAA c1ccc(-n2nc(C3CC3)nc2CCCc2c[nH]c3ccccc23)nc1 67856625 HRQSUQVDLBEWSU-UHFFFAOYSA-N 343.434 4.196 0 50 EIAA CC(C)=CCC/C(C)=C/CNC(=O)c1cc(-c2ccccc2O)n[nH]1 91526410 UNURBBXWFXQSGV-RVDMUPIBSA-N 339.439 4.205 0 50 EIAA Cc1cc([C@H](C)NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c(C)o1 170626229 LPNDDJDNFPDNOA-LBPRGKRZSA-N 347.846 4.036 0 50 EIAA CCN(CC)C(=O)Cc1ccc(NC(=O)c2occc2C(C)C)cc1 225809952 SZSSSMHNQDMENX-UHFFFAOYSA-N 342.439 4.066 0 50 EIAA Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1 229821480 APDPTEZNIIDUGX-CDHQVMDDSA-N 347.414 4.489 0 50 EIAA Cc1nc(C2CC2)oc1C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 242191271 XEFWHCBIGJEZIM-HOCLYGCPSA-N 328.387 4.066 0 50 EIAA CC(C)COCCCNc1nc(C(F)(F)F)nc2ccccc12 743459517 GWGROFQDLLVLFR-UHFFFAOYSA-N 327.350 4.123 0 50 EIAA Clc1cccc(-c2nnc(N3CCC(c4cccnc4)CC3)o2)c1 893077562 NZVIWSFMZFAPEZ-UHFFFAOYSA-N 340.814 4.169 0 50 EIAA Cn1cc(CCCn2ccnc2-c2ccc(CC(F)(F)F)cc2)cn1 1857692798 VCNKMGLBQBFMDZ-UHFFFAOYSA-N 348.372 4.021 0 50 EIAA Cc1ccccc1C1=CCN(C(=O)c2cc3c(F)ccc(F)c3[nH]2)C1 1875258238 LZQDERACRNSFSO-UHFFFAOYSA-N 338.357 4.294 0 50 EIAA Cc1nocc1[C@@H](C)NCCn1ccc2c(Br)cccc21 2325777857 KIGPRKWWGQNZIX-LLVKDONJSA-N 348.244 4.051 0 50 EIAA C[C@]1(CSc2ncc3c(n2)CCCC3=O)CCCCC1(F)F 2325823418 ROEKZCQJVJDHMW-OAHLLOKOSA-N 326.412 4.303 0 50 EIAA O=S(=O)(Nc1cccc(F)c1Cl)c1sccc1C1CC1 2325866634 SSENJIOXQVGHMN-UHFFFAOYSA-N 331.821 4.219 0 50 EIAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cl)c1 2436394 YYBFUBFPTDNHEG-UHFFFAOYSA-N 333.218 4.447 0 50 EIAA biogenic COC(=O)c1sc(-c2ccc(OCc3ccccc3)cc2)cc1N 2528656 YIMYASTXYWDVQA-UHFFFAOYSA-N 339.416 4.363 0 50 EIAA CCC(CC)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 2864884 PPHZKAQFYRDBCS-UHFFFAOYSA-N 336.435 4.264 0 50 EIAA CCC(=O)Oc1ccc(C(=O)Nc2ccccc2Br)cc1 4840920 AYIDVQMNRBZCRE-UHFFFAOYSA-N 348.196 4.017 0 50 EIAA CC[C@@H](C)Nc1ncnc2sc([C@@H]3COc4ccccc4O3)cc12 6489061 GBMPWKUUQPHOGO-ABAIWWIYSA-N 341.436 4.414 0 50 EIAA COc1ccc(-c2n[nH]c(SCc3ccccc3Cl)n2)cc1 6520795 KCFUTLMANHKUSW-UHFFFAOYSA-N 331.828 4.426 0 50 EIAA COc1cccc(C(=O)O)c1OCc1c(Cl)cccc1Cl 11828300 QVXBLRFCUQDIKU-UHFFFAOYSA-N 327.163 4.279 0 50 EIAA Cc1ccc(CN2CCC(CN(C)Cc3ccc(F)cc3F)CC2)o1 14968816 XBZLUAMMYLCJMH-UHFFFAOYSA-N 348.437 4.210 0 50 EIAA Cc1nc2sc(C(=O)N3[C@@H](C)CCC[C@H]3C)c(N)c2c(C)c1C 17888025 BMZKYRZDWXTOPE-AOOOYVTPSA-N 331.485 4.207 0 50 EIAA c1ccc(OCCn2ccc(-c3cccc(-c4cncnc4)c3)n2)cc1 19635603 CZZCRMVSGIPHFB-UHFFFAOYSA-N 342.402 4.086 0 50 EIAA O=C(Nc1nccs1)c1ccc2nc(C(F)(F)F)sc2c1 20426900 MHUNAACDCABGEU-UHFFFAOYSA-N 329.328 4.024 0 50 EIAA Cc1ccc(C2=NNC(=O)[C@H](Cc3ccc(Cl)cc3)C2)c(C)c1 25759003 YTBBMHZRUAEPGX-OAHLLOKOSA-N 326.827 4.040 0 50 EIAA Cc1cc(C)c(C)c(C(=O)NCc2cccc(-n3cccn3)c2)c1C 55183420 ARXWHJICAMVVLK-UHFFFAOYSA-N 333.435 4.036 0 50 EIAA CO[C@]1(CO)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 71769612 BDVVNPOGDNWUOI-GVOJMRIRSA-N 330.468 4.293 0 50 EIAA biogenic,in-vitro CCCCN(Cc1ccccc1F)C(=O)c1cc(C(C)C)nn1C 82109326 JOJIKXPRXVMLAP-UHFFFAOYSA-N 331.435 4.125 0 50 EIAA CC(C)Oc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)cc1 96153220 QBKPZWAURUXRHF-HNNXBMFYSA-N 342.439 4.221 0 50 EIAA COC(=O)c1ccccc1-c1ccc(NC(=O)OC(C)(C)C)cc1 97757374 OANRAUGBMCWBQZ-UHFFFAOYSA-N 327.380 4.487 0 50 EIAA Cc1cc(N(C)C)cc(C)c1NC(=O)[C@@H](C)OC1CCCCCC1 129544069 AONLYNOVPMPZJQ-MRXNPFEDSA-N 332.488 4.436 0 50 EIAA CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 145060981 BSHQFYQSIAHNPQ-KRWDZBQOSA-N 328.799 4.211 0 50 EIAA Cc1ccc(-c2nnc3n2CCCCC3)cc1NCc1cscn1 158865601 SGZGXGVBGCBRGP-UHFFFAOYSA-N 339.468 4.049 0 50 EIAA Cc1cc([C@H](C)NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(C)s1 182341589 VAZMTLURJLEGMO-LRDDRELGSA-N 332.473 4.086 0 50 EIAA C[C@H](N[C@H](C)c1cc2ccccc2s1)c1nnnn1-c1ccccc1 184367530 MCGHRLKZGQDIDU-KGLIPLIRSA-N 349.463 4.289 0 50 EIAA CC1=CC[C@H]2CN(C(=O)c3c(-c4ccccc4)ccnc3C)C[C@H]2C1 214880145 ZVAGFKNCRDCODN-RBUKOAKNSA-N 332.447 4.485 0 50 EIAA COc1ccc(CN(C)C(=O)Nc2ccc(C3CC3)c(F)c2)cc1 252496075 PESXBSGJBDAQHK-UHFFFAOYSA-N 328.387 4.376 0 50 EIAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1cccc(COC)c1 252506887 WCPWBKDOJIDDNY-UHFFFAOYSA-N 337.423 4.368 0 50 EIAA CSCc1nc(CNC(=O)N2CCC[C@@H]2c2ccccc2)cs1 584904094 CSOCDUPGUXINLF-OAHLLOKOSA-N 347.509 4.053 0 50 EIAA Cc1cc(N[C@H]2CCCN(C(=O)C(C)C)C2)nc2cc(Cl)ccc12 1529151846 FZIYUOUFHZLRBI-HNNXBMFYSA-N 345.874 4.256 0 50 EIAA COc1ccc(Cc2ccc([C@H](C)N3CCCC3)cc2)cc1OC 1772815962 BDAVOYJKAXQREH-INIZCTEOSA-N 325.452 4.451 0 50 EIAA C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O 1857525078 USGKSIJYOHEDEV-VYMYIBDJSA-N 330.468 4.261 0 50 EIAA Cc1ccc2ncccc2c1-c1nccn1Cc1cnn(C(C)C)c1 1857686339 RMWQVHRPSATIID-UHFFFAOYSA-N 331.423 4.232 0 50 EIAA COc1cccc([C@@H](C)c2noc(Cc3ccc(O)c(Cl)c3)n2)c1 1875336057 RBPBJBLVLIGNOS-LLVKDONJSA-N 344.798 4.180 0 50 EIAA Clc1cccc(C2(CN[C@@H](c3ccccc3)c3cnc[nH]3)CC2)c1 1875337702 ZOLVDSKAYICTML-IBGZPJMESA-N 337.854 4.474 0 50 EIAA CCOc1cncc(COC(=O)CCSc2ccc(C)cc2)c1 2325855702 LMAAYEWKCNFYNB-UHFFFAOYSA-N 331.437 4.014 0 50 EIAA CN(C)c1ccc(-c2cc(C(=O)O)c(O)c3ccccc23)c(F)c1 2325874111 BFVARJOKKBOPQA-UHFFFAOYSA-N 325.339 4.116 0 50 EIAA COC(=O)[C@@H]1CC12CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 2356168478 FXAOCTNISLIHHS-NRFANRHFSA-N 347.458 4.033 0 50 EIAA CCOc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 147168 YFIYILJTQQORBB-UHFFFAOYSA-N 340.206 4.410 0 50 EIAA CC(=O)Nc1c(C)cc(Cc2cc(C)c(NC(C)=O)c(C)c2)cc1C 226862 PFCDFHOPGATMQD-UHFFFAOYSA-N 338.451 4.428 0 50 EIAA CC(=O)Nc1ccc(-c2csc(N(C)c3ccc(O)cc3)n2)cc1 613247 UMIPSINAECHXOH-UHFFFAOYSA-N 339.420 4.242 0 50 EIAA O=C(NCc1ccccc1)c1ccccc1-c1nc2ccccc2[nH]1 3876461 WPBLDVUCHRORRC-UHFFFAOYSA-N 327.387 4.160 0 50 EIAA O=[S@@](CCSc1nc2ccccc2s1)Cc1ccccc1 4144123 ROKMRFAJWFSTNB-OAQYLSRUSA-N 333.503 4.337 0 50 EIAA CCCCc1cc(-c2n[nH]cc2-c2csc(C)n2)c(O)cc1O 4730611 JROBNUIRCFXVDQ-UHFFFAOYSA-N 329.425 4.262 0 50 EIAA CCSc1nc(-c2ccc(OC)cc2)nc2c1COC(C)(C)C2 5321525 CIYYORBRSAKZPL-UHFFFAOYSA-N 330.453 4.116 0 50 EIAA CCc1sc(C(=O)Nc2cccc(C)n2)cc1Br 13326662 CGXBDVSPEJWNCV-UHFFFAOYSA-N 325.231 4.029 0 50 EIAA CC(C)Cc1ncc2c(n1)CN(c1nc(-c3ccccc3)cs1)C2 67757175 OVHMBQHGULSYIJ-UHFFFAOYSA-N 336.464 4.319 0 50 EIAA Cc1ccc(-c2cc(O)c3c(c2)CN(CCn2cccc2)CCO3)cc1 71278588 WDSYBSABMOYGPY-UHFFFAOYSA-N 348.446 4.064 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)on1 71747677 ATRAIXQQONBWLW-INIZCTEOSA-N 344.430 4.422 0 50 EIAA CCc1c(C(=O)N(C)[C@@H](CN(C)C)c2ccccc2)[nH]c2ccccc12 97578491 IAKWOOJZAXYUCI-FQEVSTJZSA-N 349.478 4.105 0 50 EIAA COc1cccc(-c2noc(N3C[C@H]4CC[C@H]3c3ccccc34)n2)c1 225779351 UDSDNRDEBZUZIC-KDOFPFPSSA-N 333.391 4.184 0 50 EIAA CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 252679352 LEUWUVYHBZQDSK-KCITZHQASA-N 343.467 4.132 0 50 EIAA Cc1cc(OCC(=O)N(C)CC(F)(F)F)c(C(C)C)cc1Cl 409627337 MAHPXZVOLQAGNK-UHFFFAOYSA-N 337.769 4.171 0 50 EIAA COC(C)(C)CCNC(=O)c1ccc(-c2ccc(F)cc2C)cc1 426705714 OWQVZQRRADBREC-UHFFFAOYSA-N 329.415 4.346 0 50 EIAA O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1Cc2ccc(O)cc2C2(CC2)C1 462551559 KPYUOHCVAPHJBK-KFKAGJAMSA-N 339.479 4.373 0 50 EIAA C[C@@H](c1ccc(C(=O)O)o1)N1CCC2(CCc3ccccc3C2)CC1 652431345 JGNDKDSCDLDTCX-HNNXBMFYSA-N 339.435 4.310 0 50 EIAA c1ccc(-c2csc(CNC[C@H]3COC4(CCCC4)O3)c2)cc1 773413435 GOGDMVWGVYHRBC-KRWDZBQOSA-N 329.465 4.190 0 50 EIAA Cc1cc(CCC(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)on1 1875329106 DXMGVRKYYDVQTE-OALUTQOASA-N 340.467 4.394 0 50 EIAA Nc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)ccc1O 1875386846 ACPSXJSGVAJAPH-UHFFFAOYSA-N 340.386 4.160 0 50 EIAA COc1ccc(-c2cccc(CN3CCC[C@H](OC)C3)c2)cc1F 2356163014 PEKWXNWIMPRNFP-SFHVURJKSA-N 329.415 4.112 0 50 EIAA CCOC(=O)c1sc(NC(=O)c2cccc3ccccc23)nc1C 433772 FLVNUDCRNDTPEL-UHFFFAOYSA-N 340.404 4.034 0 50 EIAA Cc1ccc([C@H](OCCN(C)C)c2ccc(Br)cc2)cc1 1999804 PENMVPDWHVWJAC-SFHVURJKSA-N 348.284 4.425 0 50 EIAA C[C@@H](c1ccccc1)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 4724431 XFICHPYFLQLHLL-ZDUSSCGKSA-N 327.383 4.296 0 50 EIAA Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2F)nc1 4917035 IOONNOOWDVYRQR-IBGZPJMESA-N 333.366 4.300 0 50 EIAA aggregator CCCCc1nc2cc(C(=O)N[C@H](C)CCCC(C)(C)O)ccc2o1 12713048 PWRLXYPNYIYRRN-CQSZACIVSA-N 346.471 4.230 0 50 EIAA C/C=C(\C)CN1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1 14976272 KQOIMNOUVPBQSV-HQYXKAPLSA-N 348.918 4.415 0 50 EIAA Cc1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)s1 71755001 WDQIFMWLXHGEIG-HNNXBMFYSA-N 332.444 4.076 0 50 EIAA Cc1cc(=O)oc2cc3c(cc12)[C@@H](C)CC(C)(C)N3CCCC(=O)O 100655485 CORGJZNTIXXSQK-ZDUSSCGKSA-N 343.423 4.058 0 50 EIAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)c1 101664956 ITDWWELSBGGRPZ-ZCLUNYJNSA-N 347.458 4.486 0 50 EIAA CC[C@@H](C(=O)Nc1ccncc1F)c1cccc(C(F)(F)F)c1 156470881 PACAYJOAAJPABF-GFCCVEGCSA-N 326.293 4.372 0 50 EIAA Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)o1 175581002 WTWOOYOKHLNHOO-UHFFFAOYSA-N 346.814 4.038 0 50 EIAA Cc1cscc1C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 176233913 JWYLBWQIFHMYFB-OAHLLOKOSA-N 327.409 4.037 0 50 EIAA Cc1nn(C)cc1CNc1cnn(-c2ccccc2Cl)c1C(C)C 191730218 WKZZNXRTJNDXRU-UHFFFAOYSA-N 343.862 4.303 0 50 EIAA O=C(Nc1cccc(CN[C@@H]2CCCc3occc32)c1)c1ccncc1 192709917 XTHZBDOJETZSML-LJQANCHMSA-N 347.418 4.094 0 50 EIAA Cc1nc(CN(C)Cc2cc(CN3CCCCC3)cs2)cs1 215210867 JODXQQUEORZMEM-UHFFFAOYSA-N 335.542 4.131 0 50 EIAA CC(C)n1ncc(C(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)c1N 253419826 DZKJVBMBVUMMSK-LBPRGKRZSA-N 346.862 4.065 0 50 EIAA Cc1csc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1Cl 253430029 JKZJKESSERRPTK-VXGBXAGGSA-N 339.844 4.031 0 50 EIAA Cc1nc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c(C)o1 297607930 GNCVXFVMGXRZGE-ZDUSSCGKSA-N 346.736 4.320 0 50 EIAA CCOC1CC2(CCN(Cc3cnc(-c4ccsc4)s3)C2)C1 348880485 VQHPDHYBQIJOMF-UHFFFAOYSA-N 334.510 4.263 0 50 EIAA COCC(C)(C)NC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 534632463 OFYLPMCTVHZKBL-UHFFFAOYSA-N 342.439 4.045 0 50 EIAA Cc1cc(C)c2cc(CN3CCC[C@@](O)(C(F)(F)F)CC3)[nH]c2c1 952846312 ZHCKNGFRRWSROM-KRWDZBQOSA-N 340.389 4.064 0 50 EIAA O=C(Cc1ccc(O)c(Cl)c1)N1CC=C(c2ccc(F)cc2)CC1 1290352608 QFLISKVWMDEASR-UHFFFAOYSA-N 345.801 4.043 0 50 EIAA Cc1ccc([C@@H](C)CCN2CCCN(Cc3cccs3)CC2)o1 1506407686 XXSBCXAPNTVJGO-INIZCTEOSA-N 332.513 4.351 0 50 EIAA CCCn1nc(C)cc1NC(=O)c1cc(C)nc2c(Cl)cccc12 1529190383 IALCNRBUUFXGDC-UHFFFAOYSA-N 342.830 4.364 0 50 EIAA Cc1ccc(C(=O)N2CCCCC[C@@H]2C=Cc2ccccc2)c(O)n1 1857533253 NXJDIJOAOOZWBH-GOSISDBHSA-N 336.435 4.194 0 50 EIAA Brc1cccc2nc(Nc3ccc4n[nH]cc4c3)oc12 1875356665 PJNXFZJBPQKXBE-UHFFFAOYSA-N 329.157 4.210 0 50 EIAA CCCN(CCC)C(=O)c1cc(OCC)c(OCC)c(OCC)c1 30218 JXXJINFOCASLDB-UHFFFAOYSA-N 337.460 4.145 0 50 EIAA CCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 201142 OLQJVXFSFSZYOU-UHFFFAOYSA-N 345.445 4.286 0 50 EIAA Cc1ccccc1OCc1nnc(SCc2ccc(F)cc2)n1C 359960 ABMAUKFIVHZBGU-UHFFFAOYSA-N 343.427 4.134 0 50 EIAA CCOc1ccccc1OCCOc1cccc(Br)c1 2985906 MLRPHRNKNYYDJC-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)O)C1 4184630 IJIVRVVHHDLZKV-SECBINFHSA-N 349.839 4.477 0 50 EIAA CCC(=O)Oc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 4869829 WTXZONLTGIOWHJ-UHFFFAOYSA-N 347.798 4.225 0 50 EIAA COc1ccc(OC)c2c(C)cc(N3CCc4ccccc4C3)nc12 5537719 HASBFFFFTZKMRY-UHFFFAOYSA-N 334.419 4.123 0 50 EIAA CCc1sc(C(=O)NCc2cccs2)cc1Br 5949905 IOWMAFARGXSDMH-UHFFFAOYSA-N 330.272 4.065 0 50 EIAA CCCOC(=O)c1ccc(NC(=S)Nc2ccccc2C)cc1 17067281 CBIDAZZNVUIGRJ-UHFFFAOYSA-N 328.437 4.371 0 50 EIAA Cc1cccc(NC(=O)NCc2cccc(Br)c2)c1C 17068507 BXDVLHKZCOQNGT-UHFFFAOYSA-N 333.229 4.388 0 50 EIAA Cc1oc(-c2ccoc2)nc1CN(C)Cc1ccc(-n2cccn2)cc1 19795038 XEKKJFQYGQVUFU-UHFFFAOYSA-N 348.406 4.061 0 50 EIAA CC1(C)[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC[C@]1(C)C(=O)O 22779944 ILDYKPGXKROROM-MGPLVRAMSA-N 344.238 4.459 0 50 EIAA O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1Cl 44900805 WXQDZTPGLICBBV-MRXNPFEDSA-N 341.798 4.320 0 50 EIAA Fc1cccc(Cl)c1CN1CCN(c2cccc(Cl)c2)CC1 55292027 BCGMYFGKXUAADH-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA CCCCN(Cc1ccccn1)C(=O)c1[nH]nc(-c2ccccc2)c1C 97301264 FJOHOPSILUDENJ-UHFFFAOYSA-N 348.450 4.223 0 50 EIAA Cc1ccc(C2(C(=O)N[C@H](C)c3cc(C)oc3C)CCOCC2)cc1 110254113 SCQLPBNSTXUEGH-MRXNPFEDSA-N 341.451 4.130 0 50 EIAA CC(C)c1ccc(N(C)C(=O)c2cc(Br)cn2C)cc1 155641890 HZYVFHMHOZXRIS-UHFFFAOYSA-N 335.245 4.188 0 50 EIAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCC[C@@H]1C(F)(F)F 162363231 XSGUNYGKISHMIP-ILXRZTDVSA-N 347.421 4.353 0 50 EIAA CCO[C@H]1C[C@@H](Nc2ccc3oc(C4CC4)nc3c2)C12CCOCC2 186455083 FYXMRTXCAAZQJT-MSOLQXFVSA-N 342.439 4.091 0 50 EIAA CCN(Cc1cnc(SC)nc1)Cc1c(F)cccc1Cl 216314565 MQEAUEMIMZIAFC-UHFFFAOYSA-N 325.840 4.013 0 50 EIAA CN(Cc1coc(-c2ccccc2)n1)Cc1nnc(-c2ccccc2)o1 216416299 WFAYNMZCGYTDCX-UHFFFAOYSA-N 346.390 4.024 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H]1C[C@@H]1c1ccccc1 219725898 NKEQDIZXUTZRDZ-MOPGFXCFSA-N 332.403 4.104 0 50 EIAA Cc1cccc(NC[C@@H]2CCN([C@H](C)c3ncc(C(C)(C)C)o3)C2)n1 245481999 YZQISDCRRPFKCR-CVEARBPZSA-N 342.487 4.171 0 50 EIAA Cn1nc(C2CC2)cc1NC(=O)N1CCCC[C@@H]1c1cccc(F)c1 299776907 MYMWCNKHSQMEEH-QGZVFWFLSA-N 342.418 4.196 0 50 EIAA COc1cnc(NC(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)s1 332102956 DNGNAZRTUFWCAT-UHFFFAOYSA-N 343.452 4.090 0 50 EIAA c1ccc(COc2ccc(CN3CCCc4occc4C3)cc2)nc1 344234976 JWWJEDTUYLHONX-UHFFFAOYSA-N 334.419 4.202 0 50 EIAA CN(Cc1ccc2c[nH]nc2c1)[C@]1(c2ccccc2)CCCCC1=O 660367352 LCPIWUWJZJZAOE-NRFANRHFSA-N 333.435 4.033 0 50 EIAA Cc1cnc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c(C)c1 780530943 WXGBNMCJYNSEID-HNNXBMFYSA-N 336.439 4.120 0 50 EIAA CCCc1cnc(C)nc1NCc1cc(-c2cccc(OC)c2)no1 1704305342 UXYUTDSGLQFPGI-UHFFFAOYSA-N 338.411 4.013 0 50 EIAA COC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 80949 DMZYQNQPGUXYBN-UHFFFAOYSA-N 346.722 4.384 0 50 EIAA Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccccc1 179415 BVWOMQFEGADHEX-UHFFFAOYSA-N 326.396 4.479 0 50 EIAA CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1OCC 265943 PAERGQQZAWSJBA-UHFFFAOYSA-N 349.814 4.398 0 50 EIAA CCOC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 455612 MZLPSPSPZSWXJH-UHFFFAOYSA-N 325.408 4.413 0 50 EIAA C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1cccc(Cl)c1 475230 KHOKSQNHOLYGLN-GJZGRUSLSA-N 331.843 4.245 0 50 EIAA CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3C)cc12 1210108 QUEIDYGHVXRDDN-UHFFFAOYSA-N 343.404 4.053 0 50 EIAA CC(C)N(C(=O)c1ccco1)c1ccc(-n2nc3ccccc3n2)cc1 1431855 DKPMNCYVTVRBFQ-UHFFFAOYSA-N 346.390 4.069 0 50 EIAA COc1cccc(C=O)c1Oc1ncc(C(F)(F)F)cc1Cl 2543378 WJUNWBBYGDEOLG-UHFFFAOYSA-N 331.677 4.367 0 50 EIAA CCn1c(SCC(=O)Nc2c(F)cccc2F)nc2ccccc21 4484559 RCSSYJOFMTVYAI-UHFFFAOYSA-N 347.390 4.065 0 50 EIAA CN(C)Cc1ccccc1[C@@]1(c2ccccc2)OC(=O)c2ccccc21 4760187 OCTZKNCAOSCYOX-HSZRJFAPSA-N 343.426 4.211 0 50 EIAA Cc1ccc(-c2noc(CNC(=O)c3cccc4ccccc34)n2)cc1 4838385 SGNWFUMXOMSGIJ-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA CCc1nn2c(NCc3cccnc3)cc(C)nc2c1-c1ccccc1 5265586 AYZMTQZPSBOBOP-UHFFFAOYSA-N 343.434 4.274 0 50 EIAA CCCCc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 6502313 DCNGGIAPDZVKMN-UHFFFAOYSA-N 331.437 4.033 0 50 EIAA O=c1[nH]cnc2c1sc1nc(C(F)F)cc(-c3ccccc3)c12 8436368 JXDSLAZEZBXBQH-UHFFFAOYSA-N 329.331 4.137 0 50 EIAA C[C@@H](NC(=O)CSc1cc(-c2ccccc2)ncn1)c1ccccc1 11903053 KCDBWBHFQXPVAJ-OAHLLOKOSA-N 349.459 4.113 0 50 EIAA COC(=O)c1cc(C)sc1NC(=O)c1cc2c(s1)CCCC2 20606437 STDCFFKIBJDIPP-UHFFFAOYSA-N 335.450 4.036 0 50 EIAA COc1cccc2ccn(CCC(=O)NCc3ccccc3Cl)c12 44890125 OJTSMCWUVNUYCL-UHFFFAOYSA-N 342.826 4.010 0 50 EIAA CC(=O)OCc1c(C)cc(C)c(CN[C@H](C)c2ncccc2C)c1C 55036121 NNOMJVNROQFWHQ-QGZVFWFLSA-N 340.467 4.229 0 50 EIAA C/C(=C\c1ccccc1)CN1CCC[C@@H]1c1nc(-c2ccncc2)no1 65398390 WWKWHUZDWBTERO-JRJUITNWSA-N 346.434 4.372 0 50 EIAA CN1CCC=C([C@H]2CCCCN2C(=O)c2cc3ccccc3s2)C1 67677058 HHKWVUWLUWFRHA-QGZVFWFLSA-N 340.492 4.158 0 50 EIAA c1coc(-c2nnc(CN3CCCC[C@@H]3CCc3cccs3)o2)c1 77525165 XRDFAIREEISZTI-CQSZACIVSA-N 343.452 4.378 0 50 EIAA Clc1cccc(OCCNCCCOc2ccccc2)c1Cl 96027016 RPYDSQZUDUTKBG-UHFFFAOYSA-N 340.250 4.431 0 50 EIAA O=C(c1cnc(-c2ccsc2)s1)N1CCCc2ccccc21 112227112 KFTJRSHUYDKAHL-UHFFFAOYSA-N 326.446 4.465 0 50 EIAA CCC[C@@H](NC(=O)N1CCC[C@H]1CO)c1ccc(Cl)c(Cl)c1 118573174 RPYRPFRXPHYLFM-SWLSCSKDSA-N 345.270 4.001 0 50 EIAA Cc1nnc(NC(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)s1 170889520 JSARLGKUQFXBMR-VIFPVBQESA-N 336.848 4.257 0 50 EIAA Cc1oc2ncnc(NC(=O)c3ccccc3C(F)(F)F)c2c1C 225398940 HMSLSJKTNBEAJU-UHFFFAOYSA-N 335.285 4.111 0 50 EIAA CC(=O)Nc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c(Cl)c1 245289974 GKVGNCJNIAXOPV-CJBNDPTMSA-N 349.862 4.483 0 50 EIAA O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 252501363 UFHQCQSOLSQFTO-AYGWYOGXSA-N 339.313 4.411 0 50 EIAA O=C(O)CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 261610859 DSGKODLBCLRQGM-ZIAGYGMSSA-N 343.345 4.011 0 50 EIAA Cc1ccc2c(NC(=O)N[C@@H]3COC4(CCCCC4)C3)cccc2n1 299770160 POZQDAKXKBVVPC-HNNXBMFYSA-N 339.439 4.157 0 50 EIAA CC1(C)CC(c2noc(C3(C(=O)NC4CC4)CCC3)n2)CC(C)(C)C1 664978190 TXXWSVCOFWNEMC-UHFFFAOYSA-N 345.487 4.090 0 50 EIAA Cc1cccc(OCCc2nnc([C@@H](C)Oc3ccccc3F)o2)c1 952988932 QRLZPCLPTHYEHJ-CQSZACIVSA-N 342.370 4.279 0 50 EIAA Fc1c(Cl)cccc1CN1CCc2nc[nH]c2[C@@H]1c1ccccc1 1308095212 YOJQZSLWQHTOQT-IBGZPJMESA-N 341.817 4.350 0 50 EIAA Clc1ccccc1OC1CCN(C2CSCCSC2)CC1 1506420404 CRCKCTIRSYLEPC-UHFFFAOYSA-N 343.945 4.032 0 50 EIAA CN(Cc1ccc(-c2ccccc2)s1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704355901 XKRSXCWOHIUULZ-USTZCAOPSA-N 327.493 4.396 0 50 EIAA COc1cccc([C@H](CN[C@@H]2CCc3ccsc32)N2CCCC2)c1 1875261229 UTQNUSJZLMYDBX-MOPGFXCFSA-N 342.508 4.171 0 50 EIAA Cc1ccc(Oc2ccccc2CNc2cc(N)nc3ccnn23)cc1 1875337166 PHITZDDKHRDUOJ-UHFFFAOYSA-N 345.406 4.024 0 50 EIAA O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(F)cc1 32757 PHZPENDOJDYGKP-UHFFFAOYSA-N 340.398 4.094 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 123319 BYSXJGVIGOOMLS-UHFFFAOYSA-N 325.408 4.413 0 50 EIAA O=Cc1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12 313348 QPBMFTSHNMFUDR-UHFFFAOYSA-N 347.201 4.399 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)c(C)c1 444995 OUELYCJXDNYVGJ-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA CC[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 13329217 FBOJYYRLMNLVKH-VIFPVBQESA-N 329.268 4.263 0 50 EIAA Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccccc2F)n1 16578374 AZASHRSRDUVZAN-UHFFFAOYSA-N 345.761 4.019 0 50 EIAA C[C@@H]1CCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c2C1 18275980 DZMQBDBEHWNHRW-SNVBAGLBSA-N 328.462 4.235 0 50 EIAA Cc1nc(C)c(Cn2cnc(-c3ccccc3)c2-c2[nH]cnc2C)s1 67696975 GICCLHHQXUJANG-UHFFFAOYSA-N 349.463 4.370 0 50 EIAA COc1ccccc1-c1cccc(-c2cccc3c2O[C@H](CN)C3)c1 67850566 INTPKKBZTGRWTF-SFHVURJKSA-N 331.415 4.291 0 50 EIAA CC(C)=CCC/C(C)=C/CN1CCC[C@H](c2cc(O)nc(C)n2)C1 72142936 XOSGBUQDCWJRQN-BXBHGGAKSA-N 329.488 4.363 0 50 EIAA CC(C)(C)OC(=O)Nc1nc2ccc(Br)cc2s1 95705248 BIRRUNIKTIVYSQ-UHFFFAOYSA-N 329.219 4.406 0 50 EIAA in-vitro CCCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 96028213 PEFQKJKHTZYYKG-UHFFFAOYSA-N 335.447 4.299 0 50 EIAA Cc1nc([C@@H]2CCCN2Cc2ccc(-c3ccccc3Cl)o2)n[nH]1 97713704 JBGXJKCDQMJWIR-INIZCTEOSA-N 342.830 4.364 0 50 EIAA C[C@H](NC(=O)N[C@H](C)C1CCOCC1)c1cccc2ccccc12 127701497 JBWWQNJLEJCYSV-CABCVRRESA-N 326.440 4.015 0 50 EIAA Cc1cc(C)c(C[S@@](=O)Cc2cn3c(C)cccc3n2)c(C)c1 155218852 CLXYYSRHUZKKNQ-HSZRJFAPSA-N 326.465 4.017 0 50 EIAA Cc1nnc([C@H](C)Sc2nnc(C)n2[C@@H]2CCC[C@@H](C)C2)s1 241926489 UGOZZNSPLGEZMR-GBIKHYSHSA-N 337.518 4.351 0 50 EIAA Cc1ccc(CCC(=O)Nc2cc(C(=O)O)ccc2C)cc1Cl 320644084 IPBZGLIWWNNHCL-UHFFFAOYSA-N 331.799 4.226 0 50 EIAA CCn1ccc2ccc(CN(Cc3c(C)nn(C)c3C)C3CC3)cc21 952868120 BUWNNRRQKSDXAB-UHFFFAOYSA-N 336.483 4.176 0 50 EIAA CCc1nc([C@H](C)NC(=O)c2cc3ncc(C(C)C)cc3[nH]2)cs1 2325822901 VLQYIMRNGNSYJD-NSHDSACASA-N 342.468 4.196 0 50 EIAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(Cl)cc1 375198 CFFXJXOTJLXLIE-UHFFFAOYSA-N 343.736 4.071 0 50 EIAA Cc1nn(C)c(C)c1NC(=S)Nc1ccc(Cl)cc1Cl 612011 RGUYQNWIYBKUOT-UHFFFAOYSA-N 329.256 4.153 0 50 EIAA CCN(C1CCCCC1)S(=O)(=O)c1cc(C(C)C)ccc1OC 619295 ORHWSJGMQFSIAI-UHFFFAOYSA-N 339.501 4.162 0 50 EIAA Cc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)c(Cl)cc12 1165235 QPLXXZMJKOWFKU-UHFFFAOYSA-N 346.741 4.156 0 50 EIAA CC(C)OC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 2819706 LBMKUHXSWQVYOK-ATVHPVEESA-N 343.810 4.063 0 50 EIAA Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1 3776633 PWACSDKDOHSSQD-IUTFFREVSA-N 348.446 4.015 0 50 EIAA fda O=C1C[C@H](c2nc3ccccc3[nH]2)CN1c1cccc(C(F)(F)F)c1 4033331 QOGJWUSMSNNDBM-NSHDSACASA-N 345.324 4.102 0 50 EIAA Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1 4575495 ISNBTODJGDBLAZ-UHFFFAOYSA-N 335.388 4.161 0 50 EIAA Cc1ccc(C(C)C)c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c1 5968101 ZDOYPOMEISNALF-HKUYNNGSSA-N 327.468 4.209 0 50 EIAA CCc1noc(C)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7782218 PTRADPVOGMZTCP-UHFFFAOYSA-N 332.709 4.470 0 50 EIAA Cc1cccc(-c2nc(CN(CC3CC3)C[C@@H]3CCCO3)c(C)o2)c1 12303391 MINBZJCVMXIZJB-IBGZPJMESA-N 340.467 4.349 0 50 EIAA COc1cccc([C@H](C)NC(=O)Nc2ccccc2Br)c1 13745356 ULKSTFYHHKKERP-NSHDSACASA-N 349.228 4.340 0 50 EIAA Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)cc1C 15063694 FVOCSFKAOJMJHE-HXUWFJFHSA-N 332.451 4.051 0 50 EIAA O[C@H](CNCc1ccccc1OCc1ccccc1)c1ccccc1 16480769 UEBYIZYUEFMKCG-OAQYLSRUSA-N 333.431 4.089 0 50 EIAA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 20206920 QFTXRCOSXKGFQN-CQSZACIVSA-N 339.464 4.028 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N(C)CCN(C)C3CCCC3)[nH]c12 91793380 RHISRYJETUZGCK-UHFFFAOYSA-N 341.499 4.040 0 50 EIAA CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](C)[C@H]1[C@H]2C 135817204 KPUIORAMYKZOGW-BHZSWEIISA-N 329.440 4.489 0 50 EIAA CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1ccccn1 230156877 JKSOGEZRANEEKH-MBOZVWFJSA-N 338.426 4.205 0 50 EIAA O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 253390562 JXWHJJPHFGLNHC-KXUCPTDWSA-N 348.394 4.037 0 50 EIAA C[C@@H](Cc1nc(-c2c[nH]c3ncccc23)cs1)n1cc(Cl)cn1 342411811 IQEGIPDPHFXCGB-JTQLQIEISA-N 343.843 4.340 0 50 EIAA O[C@@H]1c2ccc(-c3cc(F)cc(Cl)c3)cc2OC[C@H]1N1CCCC1 426683815 MQEMTDVQBBMSGX-IEBWSBKVSA-N 347.817 4.036 0 50 EIAA CO[C@H](C)CCNC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 465840687 JQRIRKRRSBGCMZ-OAHLLOKOSA-N 336.451 4.095 0 50 EIAA Cc1ccccc1C1CCN(C(=O)N[C@H](C)c2cscn2)CC1 661641810 VYDFXUQWFFRQTN-CQSZACIVSA-N 329.469 4.102 0 50 EIAA CCCc1cnc(C)nc1N1CCC[C@H]1c1ccc(CN(C)C)cc1 1529113273 DPLWXAPJOOFJSN-FQEVSTJZSA-N 338.499 4.141 0 50 EIAA Cc1cccc(Cl)c1-c1nccn1[C@H]1CCOC2(CCOCC2)C1 1857728304 WJRXDJFRLSEFAX-HNNXBMFYSA-N 346.858 4.413 0 50 EIAA CC[C@H](c1ccc(S(=O)(=O)O)cc1)[C@@H](CC)c1ccc(N)cc1 2299912200 JWAHHMRQTMJQAJ-ZWKOTPCHSA-N 333.453 4.203 0 50 EIAA CN1CCCc2ccc(NCc3ncc(-c4ccccc4)[nH]3)cc2C1 2325799127 WNSYFGRFDQEGFT-UHFFFAOYSA-N 332.451 4.067 0 50 EIAA O=C(Oc1cccc2cccnc12)c1ccccc1Br 176869 LCKLISZFXOJXET-UHFFFAOYSA-N 328.165 4.217 0 50 EIAA C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Br)cc1 319092 SXVDEUXHAZQAEV-CQSZACIVSA-N 346.268 4.129 0 50 EIAA COc1ccc(C)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 462281 LEVPTPJLFHGHPJ-UHFFFAOYSA-N 333.815 4.453 0 50 EIAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 463468 KBQLUYUDNMUBRO-HNNXBMFYSA-N 331.437 4.042 0 50 EIAA COc1cc(C=O)ccc1OCCCCOc1cc(C)ccc1C 2985676 LHMICWHQXGTDIS-UHFFFAOYSA-N 328.408 4.363 0 50 EIAA Cc1ccc(-n2nnc(C(=O)Nc3ccccc3C)c2C)cc1Cl 5033436 QXBHHNFGCQOTNV-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA CC(C)COc1ccc(CN(Cc2ccncc2)C(=O)C(C)C)cc1 11790963 BNTKMRMEGKREJH-UHFFFAOYSA-N 340.467 4.301 0 50 EIAA Cc1oc(-c2ccc(F)cc2F)nc1CN(C)[C@@H](C)c1ccon1 12438867 UOZSQHQTDOWLMC-JTQLQIEISA-N 333.338 4.109 0 50 EIAA Oc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccn2)n1 18212832 IWNUQKTYIYGTEN-UHFFFAOYSA-N 329.812 4.190 0 50 EIAA Cc1cc2oc(=O)cc(CN(C)[C@@H](C)c3nccs3)c2cc1C 65406239 CGIIPZBDXSYVEZ-ZDUSSCGKSA-N 328.437 4.059 0 50 EIAA Cc1nnc(C)n1-c1ccc(Cl)cc1[C@@H](N)c1ccccc1Cl 71770404 CLGWWLLHDRLWPT-KRWDZBQOSA-N 347.249 4.239 0 50 EIAA CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](C)Oc1ccccc1)CCC2 119220317 BLFVSOJESGSMGB-CJNGLKHVSA-N 344.480 4.009 0 50 EIAA CCn1c(NC(=O)c2ccncc2C(F)(F)F)nc2cc(C)ccc21 193127668 VNYRWCMQHIPCDX-UHFFFAOYSA-N 348.328 4.031 0 50 EIAA COc1cc(OC)c(CN(C)[C@@H](C)Cc2cc(C)ccn2)cc1Cl 215476051 GATTZLHVYIIXIE-AWEZNQCLSA-N 348.874 4.124 0 50 EIAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CSc1ccncc1 270304368 YYDLOWIYVHFDMT-CYBMUJFWSA-N 349.525 4.282 0 50 EIAA CC(C)(C)n1ncc2c(NCc3ccc(C(F)F)cc3)ncnc21 302154985 DLRKMLAOWQCCJU-UHFFFAOYSA-N 331.370 4.131 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1Cc1ccc(Br)nc1 1474357789 NDJVGGXONJXLGM-INIZCTEOSA-N 331.257 4.490 0 50 EIAA Oc1ncnc2cnc(N[C@@H](Cc3ccccc3)c3ccccc3)cc12 1875258669 BYTJEBOKEDGCMP-SFHVURJKSA-N 342.402 4.126 0 50 EIAA CC[C@]1(O)CCC[C@H]2CN(Cc3nc(-c4cccs4)oc3C)C[C@H]21 2356154167 KYITZMPTBSKQQD-KHYOSLBOSA-N 346.496 4.085 0 50 EIAA CCOc1ccccc1OCC(=O)Nc1c(CC)cccc1CC 145185 PCFMFVWAKSSVFL-UHFFFAOYSA-N 327.424 4.228 0 50 EIAA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccccc1 176004 JUTAXFMKOAZTGB-UHFFFAOYSA-N 330.343 4.453 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Oc2ccc(SC)cc2)cc1 399726 IQPFQQXCQLLTDS-UHFFFAOYSA-N 331.393 4.196 0 50 EIAA CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 442847 JLBPVCFNHZJNFK-UHFFFAOYSA-N 346.235 4.193 0 50 EIAA Cc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 447547 WWCSGWFKCFOCRS-UHFFFAOYSA-N 346.365 4.120 0 50 EIAA COc1cccc(-c2nc(N3CCCCCC3)c3ccccc3n2)c1O 553688 RMINXPCOLAAMTH-UHFFFAOYSA-N 349.434 4.391 0 50 EIAA Cc1cccc2c(C(=O)N3CCC(C)CC3)cc(-c3cccnc3)nc12 1460026 ZIGSEQOIEMJEAQ-UHFFFAOYSA-N 345.446 4.477 0 50 EIAA Cc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(C(C)C)cc1 2737952 VHGFCNBIDJYHIW-UHFFFAOYSA-N 332.425 4.045 0 50 EIAA COc1cc(C=O)ccc1OCCCOc1cc(C)ccc1Cl 2994682 QGVAHYLWRSOAMB-UHFFFAOYSA-N 334.799 4.317 0 50 EIAA Cc1cccc(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c1 4385650 CULDPQAYXHIFDF-UHFFFAOYSA-N 349.478 4.098 0 50 EIAA O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@H](Nc2ccccc2)C1 11666796 ROJJLOODKMUFOK-OAHLLOKOSA-N 332.806 4.196 0 50 EIAA O=C(CSc1ccccc1)Nc1nnc(C2CCCCC2)s1 18068623 LETQCXKDEOKHTB-UHFFFAOYSA-N 333.482 4.317 0 50 EIAA FC(F)(F)CCCn1ccc(-c2cccc(-c3cncnc3)c2)n1 20999496 AKWFUJHELLXUMH-UHFFFAOYSA-N 332.329 4.350 0 50 EIAA O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ccco1 21525372 SVWLMWVZUPOLRC-OAHLLOKOSA-N 326.327 4.051 0 50 EIAA OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2c(F)cccc2Cl)C1 40287415 BYKAULKNMJIAGO-NSHDSACASA-N 342.761 4.183 0 50 EIAA Oc1cccc(-c2ccc(-c3nc(CCc4ccccc4)no3)cn2)c1 72148758 NDFRQQCTYLYTQR-UHFFFAOYSA-N 343.386 4.289 0 50 EIAA CCc1cc(NCc2ccc(F)cc2Cl)n2nc(C)c(C)c2n1 72424546 LXDGMHONRGVOOV-UHFFFAOYSA-N 332.810 4.313 0 50 EIAA Cc1nn(C)c2nc(N3CCC[C@@H](c4ccccc4)CC3)sc12 95509018 IPLMZQCRINFNED-OAHLLOKOSA-N 326.469 4.112 0 50 EIAA C[C@H](CN1CCCCC1)[C@H](NC(=O)c1ccccc1)c1ccccc1 96028125 YJNFZIRUSJRKOH-NQIIRXRSSA-N 336.479 4.280 0 50 EIAA CCN(Cc1cc(Cl)cc(OC)c1OC)[C@H]1CCOC(C)(C)C1 102537572 IBAICDOMYCLAAG-HNNXBMFYSA-N 341.879 4.137 0 50 EIAA CC(C)CC(=O)Nc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1 151635223 SYGJSKUVRZMZDS-UHFFFAOYSA-N 329.444 4.079 0 50 EIAA CC1(C)CN(C(=O)Nc2cnn(C(C)(C)C)c2)CC[C@H]1C(F)(F)F 192292274 UTBCKPFICINRBN-GFCCVEGCSA-N 346.397 4.080 0 50 EIAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCc2[nH]c3ccc(F)cc3c2C1 248513015 COHAUEQNKNJNRV-MELADBBJSA-N 326.415 4.018 0 50 EIAA CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2ccccc21 249698292 VWSQRUYGMQXJDH-RBSFLKMASA-N 345.512 4.089 0 50 EIAA CC(C)c1scnc1NC(=O)[C@H]1CCOc2ccc(Cl)cc21 377473601 CEVCYTUHJSCLCQ-NSHDSACASA-N 336.844 4.425 0 50 EIAA O=C(c1ccc(-c2ccc(CCO)cc2)cc1)N1C[C@H]2CCC[C@H](C2)C1 426503304 NADDUNQKVKUGKK-KDURUIRLSA-N 349.474 4.151 0 50 EIAA O=C(c1occc1-c1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 684992033 PKOZVPCVHXKQJP-IPMKNSEASA-N 339.435 4.102 0 50 EIAA CCCc1nc(C)c(CNC(=O)C[C@@H]2CCc3ccccc32)s1 823015159 GTWBORWATQZGSR-HNNXBMFYSA-N 328.481 4.140 0 50 EIAA Cn1cc(-c2ccc(NCc3cc(-c4ccccc4)n[nH]3)cc2)cn1 1875316574 AAUANTOTMDSRHG-UHFFFAOYSA-N 329.407 4.089 0 50 EIAA CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1cccc2cc[nH]c12 1875318960 NIRUVRHMHALUDB-IPMKNSEASA-N 334.419 4.245 0 50 EIAA CCO[C@@]1(C)C(=O)c2ccccc2N1Nc1ccccc1C(=O)CC 78688 OFXGCVBGXKIUNO-FQEVSTJZSA-N 338.407 4.062 0 50 EIAA Cc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1C 206734 DKWXITJDTVTICD-UHFFFAOYSA-N 327.383 4.356 0 50 EIAA COC(=O)c1cn(C(=O)c2ccc(C)c(Cl)c2)c2ccccc12 317539 DLJBATOVAGLTKQ-UHFFFAOYSA-N 327.767 4.078 0 50 EIAA COC(=O)c1sc2nc(-c3ccccc3)nc(SC)c2c1C 376199 IYPYOVPWSDYBPA-UHFFFAOYSA-N 330.434 4.175 0 50 EIAA C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)C(=O)N(Cl)C(=O)N1Cl 398852 INWNOVIDRQVIOP-QGZVFWFLSA-N 347.201 4.045 0 50 EIAA CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 432797 LFWGALLZPULPJR-UHFFFAOYSA-N 342.489 4.107 0 50 EIAA CCOc1cc(C=O)ccc1OCCOc1cc(C)cc(CC)c1 2875655 FYDKCSUSXAWEEB-UHFFFAOYSA-N 328.408 4.226 0 50 EIAA O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCCCCC1 4834327 MWCQNHXYAGLTAV-UHFFFAOYSA-N 336.646 4.428 0 50 EIAA CCOC(=O)c1[nH]c2c(c1Cc1ccccc1C)C(=O)CC(C)(C)C2 4911838 KGVVFLVCYLZDAS-UHFFFAOYSA-N 339.435 4.246 0 50 EIAA CC[C@@H](C)NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 12138457 YBRQJAUQPWPCGN-CYBMUJFWSA-N 344.842 4.050 0 50 EIAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(O)c(Cl)c1)NCC2 19848414 KUYQOVPHRFCDKM-LJQANCHMSA-N 347.842 4.078 0 50 EIAA CN(CC[C@@H]1CCCCO1)Cc1c[nH]nc1-c1cc2ccccc2o1 23368400 LGPATBOCBZMPAJ-KRWDZBQOSA-N 339.439 4.214 0 50 EIAA CCOC(=O)/N=c1\[nH]c2ccc(/C=C/c3ccccc3Cl)cc2[nH]1 43761144 UUTMJBWUVCSHGD-VQHVLOKHSA-N 341.798 4.377 0 50 EIAA Cc1sc2ccccc2c1-c1nc2c(cnn2Cc2ccncc2)[nH]1 48428267 BYYFSROJPAYLPJ-UHFFFAOYSA-N 345.431 4.393 0 50 EIAA CCCCC/C=C\C[C@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 64858247 VNYSSYRCGWBHLG-VYVVZZAKSA-N 336.472 4.158 0 50 EIAA in-vitro Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccc(O)c3)C2)cc1 67908948 LAJBYAKEVFHKAJ-IBGZPJMESA-N 347.462 4.470 0 50 EIAA CCCCn1ccnc1C1CCN(c2cnc3ccccc3n2)CC1 91526535 LWPMYCDBLKCZIH-UHFFFAOYSA-N 335.455 4.010 0 50 EIAA O=C(Nc1scnc1-c1ccccc1)[C@@H]1OCCc2ccccc21 138545959 LTWPYNZQEYBQNF-QGZVFWFLSA-N 336.416 4.063 0 50 EIAA O=C([C@H]1CCCc2c1[nH]c1ccccc21)N(Cc1ccccn1)C1CC1 220602621 BJXDBPJBVODUGR-IBGZPJMESA-N 345.446 4.174 0 50 EIAA O=C(NCCCC(F)(F)F)c1cc(Cl)ccc1Br 231690180 PTESOHJWJXQMCU-UHFFFAOYSA-N 344.558 4.175 0 50 EIAA CCSCCN(C(=O)c1cccn2cc(C)nc12)C1CCCCC1 299775880 LKITYRXNPVCOPV-UHFFFAOYSA-N 345.512 4.171 0 50 EIAA CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccsc1Cl 366747620 JRUBBNMSGBRRPF-LBPRGKRZSA-N 338.864 4.377 0 50 EIAA CCn1cc(-c2nc(Cc3ccccc3)no2)c(-c2ccccc2)n1 904315217 MGMBCLIEHGZWPL-UHFFFAOYSA-N 330.391 4.211 0 50 EIAA CC(C)(C)SCCNC(=O)C[C@@H](c1ccccc1)c1ccco1 952964906 PPVDXVCGRWNUEJ-INIZCTEOSA-N 331.481 4.450 0 50 EIAA C[C@@H](c1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1)N(C)C 1772806877 LPMRAXTYIGRXNF-HNNXBMFYSA-N 333.435 4.192 0 50 EIAA CCOC(=O)c1c(-c2ccccc2)oc2cc(Cl)ccc2c1=O 1775999761 WASZSDQRCVCUCR-UHFFFAOYSA-N 328.751 4.290 0 50 EIAA Fc1ccc([C@H](Cn2ccnc2)N[C@@H]2CCCc3sccc32)cc1 2325745098 LZSJBJFYSUDAKN-MSOLQXFVSA-N 341.455 4.492 0 50 EIAA CC(C)(C)NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 141230 SWVWDDVABGJABJ-UHFFFAOYSA-N 325.452 4.306 0 50 EIAA CCCc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 307177 MTQITLUMPNUEFZ-HNNXBMFYSA-N 344.842 4.082 0 50 EIAA Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2)CC1 413837 ZEFIZMXHPZYFTL-UHFFFAOYSA-N 329.831 4.003 0 50 EIAA CCN(CC)c1ccc(NC(=S)NCCc2ccccc2)cc1 611884 YPCCOVZCDONFBN-UHFFFAOYSA-N 327.497 4.062 0 50 EIAA O=C(NCCC1=CCCCC1)c1cc2cc(Cl)ccc2oc1=O 618811 GUGSPBHFYSBHMD-UHFFFAOYSA-N 331.799 4.067 0 50 EIAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N(C)c2ccccc2)c1C 2841395 NFHPOZHZKMILMK-UHFFFAOYSA-N 331.481 4.426 0 50 EIAA CC(C)(C)C(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 2884288 ZUUGYCQECXPRMW-UHFFFAOYSA-N 328.437 4.338 0 50 EIAA CC1=C(C)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C(=O)O)C1 4893676 VDBPMDLICMFYOB-KBPBESRZSA-N 342.222 4.379 0 50 EIAA COc1cc(CNCc2ccccn2)ccc1OCc1cccc(C)c1 4998071 YNXLOOJMYFGTJQ-UHFFFAOYSA-N 348.446 4.267 0 50 EIAA O=C(Nc1nnc(-c2cccc(F)c2)s1)Nc1ccccc1F 13569877 OAMGCVIXQZHBCR-UHFFFAOYSA-N 332.335 4.127 0 50 EIAA CCOc1ccccc1NC(=O)N1CCC[C@H]1c1c(C)noc1C 33270546 FLVPXBUIZHNZCJ-HNNXBMFYSA-N 329.400 4.059 0 50 EIAA Cc1nc([C@@H](C)N(C)Cc2ccc(-n3ccnc3)cc2)c(C)s1 67803429 IYXIPVVZTIYXLY-CYBMUJFWSA-N 326.469 4.139 0 50 EIAA CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)n(C)n1 77565563 BCWOEDMZIQMFKC-SFHVURJKSA-N 343.446 4.125 0 50 EIAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1Cc2ccccc2-c2ccccc2C1 132512372 YEKHEQIYZKFMRW-AWEZNQCLSA-N 345.446 4.339 0 50 EIAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C[C@H](C)c1ccc(F)cc1 157007632 NMTCPWBJASHGAZ-SJCJKPOMSA-N 329.419 4.023 0 50 EIAA O=C(CCC1CCC1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 183989429 NIQLCFBKQTVVTE-MRXNPFEDSA-N 341.373 4.186 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 239164897 NCMZQTLCXHGLOK-TWYNJABESA-N 330.468 4.450 0 50 EIAA C[C@H](C(=O)O)c1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1 263349469 VCUXAIQEHDNDFK-SYJJWHGVSA-N 337.419 4.397 0 50 EIAA CC(C)C[C@H](C(=O)Nc1ccc(C(F)(F)F)cn1)n1cccc1 263587113 CHKDCQAXLGPCHN-CYBMUJFWSA-N 325.334 4.128 0 50 EIAA Cc1cccnc1[C@H](C)NC(=O)c1cc2cccc(Cl)c2n1C 426420505 XSKXMCDOZNFCMQ-LBPRGKRZSA-N 327.815 4.026 0 50 EIAA Cc1ncsc1CCNC(=O)N1CCCC[C@H]1c1cccc(F)c1 426510459 VMFZRWBCIMUQOK-INIZCTEOSA-N 347.459 4.070 0 50 EIAA CC(C)N(C(=O)Cc1csc(-c2ccccn2)n1)C1CC(C)(C)C1 457075438 OGHHWEVJPCYKGT-UHFFFAOYSA-N 343.496 4.173 0 50 EIAA Cc1cc(Cl)ccc1-n1nc(C2CC2)nc1CCc1ccncc1 670444660 ISZHGOIICJPZCV-UHFFFAOYSA-N 338.842 4.287 0 50 EIAA CCC1(C(=O)Nc2ncc(-c3cccc(F)c3)s2)CCOCC1 889460376 RTENRMIHAHNILA-UHFFFAOYSA-N 334.416 4.095 0 50 EIAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@]2(CCC[C@H]2O)C1 1704340205 XEZLTDDLNOTODU-FYYLOGMGSA-N 349.474 4.050 0 50 EIAA CC[C@@]12C[C@H]1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 1772812723 PLWXSNLQBPNDMV-UGKGYDQZSA-N 344.462 4.166 0 50 EIAA COc1cc(-c2ccc([C@@H](C)N3CCCCC3)cc2)c(=N)[nH]c1C 2100482756 WWQKSRLVAZFCET-OAHLLOKOSA-N 325.456 4.025 0 50 EIAA Cc1nn(C2CCC2)cc1NC(=O)c1ccc(-c2cccnc2)s1 2325786318 BNEXZOUWZQCDFI-UHFFFAOYSA-N 338.436 4.292 0 50 EIAA CC1CCC([C@](C)(O)CNCc2cnc3c(F)cccc3c2)CC1 2325841248 LEJQNGZTFQDHEH-CODVMQSSSA-N 330.447 4.041 0 50 EIAA O=C(O)COc1ccc(Cl)cc1-c1ocnc1Cc1ccccc1 2356156960 YKGAJOFXWLQFGQ-UHFFFAOYSA-N 343.766 4.049 0 50 EIAA COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 41802 NHXIMULHIUYNEF-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCN(C(=O)Nc1cc(OC)ccc1OC)c1cc(C)ccc1OC 401791 ZTGRXCWADDEQQI-UHFFFAOYSA-N 344.411 4.079 0 50 EIAA CCOc1cc(C(=O)Nc2cccc(F)c2)cc(OCC)c1OCC 433617 IIAYVAHDVCJHBZ-UHFFFAOYSA-N 347.386 4.274 0 50 EIAA COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 461997 CZOWFWGDPKCSLV-UHFFFAOYSA-N 346.814 4.195 0 50 EIAA N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 532367 ZDZBVNSIGYFVID-HNNXBMFYSA-N 345.855 4.258 0 50 EIAA CC1CCN(CCCCOc2ccc(Br)cc2)CC1 2954798 XNMPBJPSKZLOPM-UHFFFAOYSA-N 326.278 4.340 0 50 EIAA Cc1sc(NC(=O)COc2ccccc2)nc1-c1ccc(F)cc1 7967312 WZTNAGRPQNHSFB-UHFFFAOYSA-N 342.395 4.275 0 50 EIAA O=C(c1ccc(Cl)s1)N1CCN(c2cccc(Cl)c2)CC1 8016070 IZVKINJGGKARLO-UHFFFAOYSA-N 341.263 4.017 0 50 EIAA Cc1ccc(-c2noc(CN(C(=O)C(C)C)C3CCCCC3)n2)cc1 12655137 KEISQEGAWDASOR-UHFFFAOYSA-N 341.455 4.362 0 50 EIAA Cc1ccccc1-c1cnnc(N[C@H](C)Cn2ccc3ccccc32)n1 20999350 QYYUHVUZZSEVGK-MRXNPFEDSA-N 343.434 4.302 0 50 EIAA O=C(c1cc(-c2ccco2)on1)N1CCC[C@H]1c1ccc(F)cc1 26807157 SSBWRKWRSIHULV-HNNXBMFYSA-N 326.327 4.051 0 50 EIAA Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2C2CC=CC2)n1 65387289 BPQZLAYWEXSGTQ-UHFFFAOYSA-N 332.451 4.497 0 50 EIAA CC(C)c1nc(CN(C)C(=O)c2ccc([C@H]3CCCN3)s2)cs1 71416261 QNFIVMWYBAFUJT-CYBMUJFWSA-N 349.525 4.025 0 50 EIAA CCc1cc(-c2nccn2Cc2scnc2-c2ccccc2)on1 71765604 OBTFGCWEHVDAMS-UHFFFAOYSA-N 336.420 4.272 0 50 EIAA CCCOc1ccccc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 72170479 JZIFNUOYJJSLIF-SFHVURJKSA-N 338.451 4.192 0 50 EIAA CCC(CC)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C 91426656 OGMHQVXHEBBPOI-NSHDSACASA-N 335.398 4.072 0 50 EIAA FC(F)(F)Oc1cc(Br)cc2[nH]c(C(F)(F)F)nc12 95215351 PGXCQZTWGBXGMY-UHFFFAOYSA-N 349.028 4.243 0 50 EIAA in-vitro CC1=C(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CCCO1 133227546 GAVTZKBXVIPFOY-UHFFFAOYSA-N 333.391 4.253 0 50 EIAA CSc1ccsc1C(=O)N1CC[C@@H](COCc2ccccc2)C1 172808686 WDHLUUPGHPYMCP-OAHLLOKOSA-N 347.505 4.149 0 50 EIAA COCCc1ccccc1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 189455324 HZUKDIMCIMPYDT-GOSISDBHSA-N 344.842 4.338 0 50 EIAA COc1cccc([C@H]2CCCN2C(=O)Cn2ccc3ccccc32)c1 252481505 CNEYRWFECUDEHF-HXUWFJFHSA-N 334.419 4.014 0 50 EIAA O=C(Nc1ccsc1Cl)N[C@H]1CCOc2c(F)cccc21 369035546 MTFNAPBKZGOBBM-JTQLQIEISA-N 326.780 4.186 0 50 EIAA CN(C(=O)c1ccc(O)cc1F)C1c2ccccc2-c2ccccc21 436868133 GMMNPLPWFGCKLP-UHFFFAOYSA-N 333.362 4.373 0 50 EIAA CCCN(Cc1n[nH]c2c1COCC2)[C@@H](C)c1cc2ccccc2o1 929333205 NQBOPLDYHBMKNW-AWEZNQCLSA-N 339.439 4.202 0 50 EIAA O=C(c1ccc(NC(=O)N2CCCC(F)(F)CC2)cc1)C1CCC1 952852316 RFWXOZPHQWRHPF-UHFFFAOYSA-N 336.382 4.323 0 50 EIAA CC[C@H](NCc1cnc(-c2ccco2)nc1)c1nc(C)c(C)s1 952980080 CIARIPWXBYNSPI-AWEZNQCLSA-N 328.441 4.051 0 50 EIAA COc1ccccc1-c1ccc(N2C[C@@H](C)C[C@H]2c2cccnc2)nn1 1354155538 FXRPHMOYAOJQEW-KXBFYZLASA-N 346.434 4.135 0 50 EIAA Cc1ccc(N2Cc3cc(Br)ccc3O[C@H](C)C2=O)cc1 1775972907 BXZAPVUGEFOYDG-GFCCVEGCSA-N 346.224 4.072 0 50 EIAA COCO[C@H]1C[C@@H](CNc2cc(Cl)cc(-c3ccncc3)c2)C1 2325802494 KZLDJZWTXMWBIC-QGGXVJLZSA-N 332.831 4.213 0 50 EIAA Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(C(F)(F)F)cc1 34345 FERATMTZOGQDCJ-UHFFFAOYSA-N 346.352 4.468 0 50 EIAA biogenic,in-vitro COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2 118511 UESRWWJENVRBLU-UHFFFAOYSA-N 341.388 4.022 0 50 EIAA CC1(C)C[C@H]([C@H](CC(=O)N2CCCC2)Cc2ccccc2)CCO1 209081 DOBZPVKBUDODLJ-MOPGFXCFSA-N 329.484 4.063 0 50 EIAA Nc1cc(-c2ccc(Br)cc2)nn1CC1CCCCC1 434160 HEPTXKWATVCXEA-UHFFFAOYSA-N 334.261 4.475 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 620510 QOZIWMQOTRYPOQ-UHFFFAOYSA-N 346.814 4.195 0 50 EIAA Cc1c([C@@H](C)NC(=S)Nc2cc(Cl)ccc2Cl)cnn1C 2782196 WEGWMWBNUHRPAT-MRVPVSSYSA-N 343.283 4.083 0 50 EIAA COc1ccc(C)cc1NC(=O)/C=C/c1cccc(OC)c1Cl 4542753 FXPXGBJBYBUWHZ-CSKARUKUSA-N 331.799 4.318 0 50 EIAA CC[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 13330194 AMQFZLIKWKPCOW-HNNXBMFYSA-N 346.814 4.384 0 50 EIAA CC(=O)c1ccccc1NC(=O)Nc1ccccc1Br 13746531 CXRYEKZMMHOHJH-UHFFFAOYSA-N 333.185 4.296 0 50 EIAA COC(=O)[C@@]12N=NC(c3ccccc3)(c3ccccc3)[C@]1(C)C2(C)C 22014331 BNLSWDBNYNFCTH-FPOVZHCZSA-N 334.419 4.354 0 50 EIAA CN(CCc1ccccc1)Cc1nc(-c2cccc(Cl)c2)no1 23144835 OGNXFIRJRCPZMH-UHFFFAOYSA-N 327.815 4.065 0 50 EIAA COc1cc(OC)c(CN(C)C2CCCCC2)cc1Br 23282154 LRSYZDQNMLCCCN-UHFFFAOYSA-N 342.277 4.231 0 50 EIAA Cc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 48290686 JNRINPCGFXJNSF-GOSISDBHSA-N 336.479 4.084 0 50 EIAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 55280997 OTBREXDXJSZZOC-ZIUDEIKKSA-N 329.488 4.152 0 50 EIAA CCCCN(C(=O)c1cnc(-c2ncccn2)s1)c1ccccc1 121407084 FBBJMTYMYWAZSI-UHFFFAOYSA-N 338.436 4.047 0 50 EIAA CC(C)Oc1ncccc1NC(=O)c1cnc(-c2ccccc2)s1 124629766 KNHWKCCRFQXEKS-UHFFFAOYSA-N 339.420 4.245 0 50 EIAA CC1(C)CC[C@@H](CSc2nnc(-c3ccccc3F)n2C2CC2)O1 170599424 ZKNBIDRDNMUOQC-ZDUSSCGKSA-N 347.459 4.469 0 50 EIAA COc1ccccc1[C@@H]1CCN(CCCc2ccc3c(c2)CCO3)C1 170607072 VCADUFHQRPEDDY-LJQANCHMSA-N 337.463 4.052 0 50 EIAA C[C@@H](C(=O)Nc1nc2ccccc2n1C1CCCC1)c1cccnc1 175177640 VKLVBJZZHRUTFP-CQSZACIVSA-N 334.423 4.289 0 50 EIAA Cc1ccc(CN(C)C(=O)c2cccc(CN3CCCCCC3)c2)o1 223571933 CGQHSTITTJCBKF-UHFFFAOYSA-N 340.467 4.236 0 50 EIAA CC1CCN(CCCOc2ccc(Br)cc2F)CC1 230554414 RKOIQTFHHFPCIR-UHFFFAOYSA-N 330.241 4.089 0 50 EIAA O=C(O)c1ccc(C(=O)Nc2ccccc2COc2ccccc2)cc1 238042941 FIJVOJGDMZDPNC-UHFFFAOYSA-N 347.370 4.216 0 50 EIAA OCCCN(Cc1cc(C2CCCCC2)no1)Cc1cccs1 244763786 OVOPKEGRPZKEJR-UHFFFAOYSA-N 334.485 4.168 0 50 EIAA COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1C 252479421 BEQAETDMAYGQGX-ZDUSSCGKSA-N 330.350 4.198 0 50 EIAA CC(=O)c1csc(C(=O)N2CCC(OC3CCC(C)CC3)CC2)c1 253417987 RHQACPQFJYOBFF-UHFFFAOYSA-N 349.496 4.151 0 50 EIAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Nc1ccncc1 286477047 OEEBSQFDLZKZEW-PBHICJAKSA-N 325.412 4.095 0 50 EIAA CC[C@H](NC(=O)N1CCC=C(c2ccccc2)C1)c1c(C)noc1C 375231533 YTGVRFDCNGOLJD-SFHVURJKSA-N 339.439 4.241 0 50 EIAA CCCCc1ncc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)[nH]1 1529168294 ZSDBYUNSUVRZDR-VQTJNVASSA-N 339.483 4.104 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C)cc3)C[C@@H]21 1704340314 ZTXSUNRWQAPQCI-FYINFDKHSA-N 344.499 4.389 0 50 EIAA CN(CCc1ccc(Br)cc1)c1ccnc2cnccc12 2325855316 SFUCGASZHRADBV-UHFFFAOYSA-N 342.240 4.071 0 50 EIAA COc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1ccccc1)N2 35136 PTLIOFQMZLWJCC-MOPGFXCFSA-N 325.408 4.492 0 50 EIAA COc1cc(Br)c(CN[C@@H]2CCCC[C@H]2C)cc1OC 183490 UCXXVXIRWXGCGZ-BXUZGUMPSA-N 342.277 4.135 0 50 EIAA Cc1nc2ccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)cc2nc1C 269982 VGTARPZBAFJEQZ-QGZVFWFLSA-N 346.434 4.268 0 50 EIAA O=C(NC(=S)Nc1ccccc1C(F)(F)F)C1CCCCC1 309780 BMJCIHKSHSJAKJ-UHFFFAOYSA-N 330.375 4.099 0 50 EIAA COc1cc(NC(=S)Nc2ccc(Cl)cc2F)cc(OC)c1 611276 ZDRXPWPVTAJECL-UHFFFAOYSA-N 340.807 4.305 0 50 EIAA COc1ccc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1180434 OOXLGKHDXVGDJJ-AWEZNQCLSA-N 341.451 4.492 0 50 EIAA CC(=O)c1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 2827223 BQBNJFBXXMEPRF-UHFFFAOYSA-N 348.427 4.169 0 50 EIAA Clc1cccc(CNc2ccc(N3CCOCC3)cc2)c1Cl 4911817 IKLWGFPKZSMFSY-UHFFFAOYSA-N 337.250 4.442 0 50 EIAA Cc1oc(-c2cccs2)nc1CN(CC1CC1)C[C@@H]1CCCO1 12052107 COCLUJQMLGASDH-HNNXBMFYSA-N 332.469 4.103 0 50 EIAA Cc1ccccc1-c1nc(CC(=O)Nc2cccc(Cl)c2C)no1 16578762 OZKRNOXKUXBFOK-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA CN(C)c1cc(NC(=O)C23CC4C[C@@H](C2)[C@@H](C4)C3)c2ccccc2n1 22589614 XBXDCLDEVFFGEN-CELYABABSA-N 335.451 4.066 0 50 EIAA CC[C@H](C)N(Cc1ccncc1)Cc1ccc(-c2ccn[nH]2)s1 55358210 YMZJFARGYILQHK-AWEZNQCLSA-N 326.469 4.334 0 50 EIAA CC(C)[C@@H]1C[C@H](NC(=O)c2ccccc2)C[C@H](Cc2ccccc2)O1 65406988 OCCCVIJAVDXBSK-HKBOAZHASA-N 337.463 4.231 0 50 EIAA C[C@H](c1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1)N1CCCCC1 67840733 PJMCPWPVWUPBTF-OAHLLOKOSA-N 335.451 4.269 0 50 EIAA CSc1ccccc1C(=O)N1CCC(Oc2cccc(F)c2)CC1 77425753 XQOOQIITCWYEFH-UHFFFAOYSA-N 345.439 4.231 0 50 EIAA O=c1ccc(-c2ccccc2)nn1Cc1cc2ccccc2nc1Cl 133144283 FGSLLPPOINMTOO-UHFFFAOYSA-N 347.805 4.160 0 50 EIAA c1csc(-c2noc(CCCN3CCCc4sccc4C3)n2)c1 170622868 CLLLLCYLERBQML-UHFFFAOYSA-N 345.493 4.241 0 50 EIAA Cc1cccc2nc(CNc3cccc(C(=O)c4ccccc4)c3)cn12 170639498 WONZAMHYHJCFLV-UHFFFAOYSA-N 341.414 4.486 0 50 EIAA Cc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c1Br 239672768 BVDOFNWZVNUALB-NWDGAFQWSA-N 349.203 4.034 0 50 EIAA O=C(c1cccc([C@H]2CCOC2)c1)N(Cc1ccco1)c1ccccn1 242164660 WWUQEJWJDVNOLT-SFHVURJKSA-N 348.402 4.026 0 50 EIAA Cc1ncc(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)c(C2CC2)n1 333053373 HHQFZKNEUJJUSL-INIZCTEOSA-N 336.439 4.207 0 50 EIAA CC[C@@H](C)n1ncc(N[C@@H](C)c2cccc(N3CCOCC3)c2)c1C 477930548 WQWHJRZUJPZFAD-CVEARBPZSA-N 342.487 4.172 0 50 EIAA O=C(N[C@@H]1COCc2ccccc21)c1sccc1SC(F)F 841356915 GPWYQEGJIRILRY-LLVKDONJSA-N 341.404 4.064 0 50 EIAA CC(C)Cc1cc(CNc2nc(-c3ccccc3)nc3c2CCC3)on1 952968461 NAENZDUJJOXCDS-UHFFFAOYSA-N 348.450 4.431 0 50 EIAA O=C(c1ccncc1Cl)N1CCCC[C@H]1CCc1cccc(O)c1 1506420096 UHMZYKZSRVVGQZ-HNNXBMFYSA-N 344.842 4.068 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2cc3cc(C)ccc3[nH]2)C[C@H](C2CC2)O1 1529169330 VXPAAMOBYWDRKB-YLJYHZDGSA-N 340.467 4.286 0 50 EIAA Cc1cc2oc(=O)cc(C)c2c2oc(-c3ccccc3)c(CC(=O)O)c12 1772491539 PPXFPRRWRDLFAY-UHFFFAOYSA-N 348.354 4.450 0 50 EIAA CC(C)C[N@]1C[C@H]1COc1ccc(-c2coc3ccccc3c2=O)cc1 1875384993 KRPGAJJTXUHBFM-GAJHUEQPSA-N 349.430 4.179 0 50 EIAA Cc1cc(Br)ccc1NC(=O)c1cccc(N(C)C)c1 60789 QOPGKQYVEVCOKT-UHFFFAOYSA-N 333.229 4.076 0 50 EIAA O=C(CSc1nc2cc(Cl)ccc2s1)Nc1nccs1 129473 OVPDLJQEIRBBBZ-UHFFFAOYSA-N 341.870 4.137 0 50 EIAA COc1ccc(CC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 387100 MDMBYQFRKXUAPD-UHFFFAOYSA-N 338.432 4.308 0 50 EIAA Cc1ccc2cccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3)C4(C)C)c2n1 468902 NCGLJRQRWRTXEP-LEWJYISDSA-N 336.435 4.267 0 50 EIAA biogenic COc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 2429762 GASCFUAEAFLYDB-UHFFFAOYSA-N 330.391 4.457 0 50 EIAA Brc1ccc(OCCCCCCN2CCCC2)cc1 2494202 GKOBIBHRDOCTTK-UHFFFAOYSA-N 326.278 4.484 0 50 EIAA Cc1cc(Cl)cc(Cl)c1OCCn1cnc2ccccc2c1=O 5065755 HMISLOUUYSNBSY-UHFFFAOYSA-N 349.217 4.091 0 50 EIAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccc(Cl)cc1 10155764 BRWCNGSHEYJIFU-OAHLLOKOSA-N 331.799 4.150 0 50 EIAA Cc1cc(S[C@@H](C)C(=O)Nc2nccs2)nc2c(C)cccc12 12000148 IPIBICKKVZZNHT-LBPRGKRZSA-N 343.477 4.427 0 50 EIAA COC[C@@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)oc1C 12456567 SYQVQGJKXXBCHP-INIZCTEOSA-N 334.847 4.304 0 50 EIAA Cc1ccc(-c2n[nH]cc2CN[C@H](C)Cc2ncccc2C)cc1C 19774030 CBACZDMNUFOHFW-QGZVFWFLSA-N 334.467 4.118 0 50 EIAA Fc1cccc(CN2CCN(Cc3cccc4ccccc34)CC2)c1 19781858 NNLSLGPEMKLVDK-UHFFFAOYSA-N 334.438 4.297 0 50 EIAA Fc1ccc(Cn2ncc3c2CN(c2nccc4ccccc24)C3)cc1 67723677 DRLGHDLFXJCGFQ-UHFFFAOYSA-N 344.393 4.139 0 50 EIAA COCc1nn2c(-c3cccc(OC)c3)ccnc2c1-c1ccccc1 71376088 QBSIIYJLQBPYPD-UHFFFAOYSA-N 345.402 4.218 0 50 EIAA Cc1ccc(Oc2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1 72446648 BCNDFBAIWAEAHQ-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA c1ccc(-c2ccc(CN3CCCC[C@H]3CCn3ccnc3)cc2)nc1 77505990 BIMFAIGQAXVNNU-NRFANRHFSA-N 346.478 4.390 0 50 EIAA COCCn1ccnc1C1CCN(Cc2ccc3ccccc3c2)CC1 91468276 PIVNNANPDUVUDE-UHFFFAOYSA-N 349.478 4.062 0 50 EIAA CC[C@@H](C(=O)OC)C(CCN(C)C)(c1ccccc1)c1ccccc1 96026384 FGDAZJUFNBFRLP-FQEVSTJZSA-N 339.479 4.124 0 50 EIAA CCc1ccc(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 132340172 WGJXCUWXBKPUIJ-UHFFFAOYSA-N 333.435 4.233 0 50 EIAA COc1cc(CN(C)CCc2ccncc2)c(Cl)cc1OC(C)C 215102884 ZGPQXMSITHNHSS-UHFFFAOYSA-N 348.874 4.205 0 50 EIAA COC(=O)CC1(CN2CCc3sccc3[C@@H]2c2cccs2)CC1 225635985 GIHBHPMLDRUYDI-QGZVFWFLSA-N 347.505 4.100 0 50 EIAA CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)c1 225690345 CXOOGOJXUAEVCE-DZGCQCFKSA-N 325.399 4.477 0 50 EIAA CCNc1ccc(Cl)cc1C(=O)N1CCC(c2nccs2)CC1 253427817 DZTHKHLEYNJUSH-UHFFFAOYSA-N 349.887 4.248 0 50 EIAA CC(C)n1cccc1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273467897 FCIGTFCKADBBEA-MJGOQNOKSA-N 344.430 4.200 0 50 EIAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cnc3c(c2)CCCC3)no1 426530576 UURRZAPTLLOJPL-SFHVURJKSA-N 339.439 4.049 0 50 EIAA COc1cccc(CCNC(=O)C2CCC(c3ccccc3)CC2)c1 463400483 NVFNKYQTUROXIJ-UHFFFAOYSA-N 337.463 4.328 0 50 EIAA Cc1ccc(Cl)c(CN2CCC(c3ccnc(O)c3)CC2)c1F 1772816226 LCYSXIAHICLMPT-UHFFFAOYSA-N 334.822 4.268 0 50 EIAA Cc1cc(C)c2sc([C@H](C)NCC3(n4ccnn4)CC3)c(C)c2c1 1875405572 JWGAPERLDMLHEC-HNNXBMFYSA-N 340.496 4.258 0 50 EIAA CCOc1cc(C(=O)N(C)c2ccccc2)cc(OCC)c1OCC 30214 NGBGBENBFGOABB-UHFFFAOYSA-N 343.423 4.159 0 50 EIAA COc1cc(OC)c(CNC2CCCCCC2)cc1Br 293116 VGSGZCPTLBYEGK-UHFFFAOYSA-N 342.277 4.279 0 50 EIAA CCOC(=O)c1cc(NC(=O)Nc2ccccc2Cl)c(C)nc1C 618018 XVBMURIBSOBWOD-UHFFFAOYSA-N 347.802 4.173 0 50 EIAA Sc1nnc(-c2ccc(Br)cc2)n1Cc1ccccc1 1104747 OMEFCVCVFYRFIM-UHFFFAOYSA-N 346.253 4.045 0 50 EIAA Cn1c(COc2cccc(Cl)c2)c(Cl)c(=O)n1-c1ccccc1 2561720 ZYQDQIQEIPLFRE-UHFFFAOYSA-N 349.217 4.062 0 50 EIAA Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](c1ccc(Br)cc1)N2 2785984 NMPNSWXPMITRFR-NWDGAFQWSA-N 342.187 4.317 0 50 EIAA Cc1ccc(OCCOCCOc2cccc3cccnc23)cc1C 2991169 WDNGPSCFLFOSMN-UHFFFAOYSA-N 337.419 4.326 0 50 EIAA C[C@H]1CCC[C@H](N2CCN(C(=O)c3cccc4ccccc34)CC2)C1 4685771 NHCIWPSEWAAMFH-HKUYNNGSSA-N 336.479 4.176 0 50 EIAA Cc1ccccc1[C@@H](CC(=O)N(C)C1CCOCC1)c1ccccc1 15076484 HHBLAYJVJAOMCG-NRFANRHFSA-N 337.463 4.154 0 50 EIAA Cc1nc(CCN2CCC(Oc3ccc(Cl)cc3)CC2)cs1 20455673 WFOGFGKLJTXAII-UHFFFAOYSA-N 336.888 4.191 0 50 EIAA CCc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1 28292830 UMFIIZVRAOPKMB-OAQYLSRUSA-N 336.479 4.124 0 50 EIAA CCC(CC)n1ncc(C)c1NC(=O)c1cn[nH]c1-c1cccs1 55360558 NGCLBCFZKUADEK-UHFFFAOYSA-N 343.456 4.257 0 50 EIAA CCCCc1ccc(-n2cc(CN(C)[C@@H](C)c3ccncn3)cn2)cc1 63868306 GMSZETFDODLFNP-KRWDZBQOSA-N 349.482 4.198 0 50 EIAA Cc1ncnc(N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1C 91965629 REPJUZQJCKABPF-HNNXBMFYSA-N 339.487 4.307 0 50 EIAA CC(C)COc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 152515481 AQUAVOBLQFXVGK-VOIUYBSRSA-N 345.508 4.310 0 50 EIAA Cc1ccc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c(C)n1 186931907 WMBZDQSEQSPSNP-SFHVURJKSA-N 334.822 4.064 0 50 EIAA c1ccc(CN2CCC[C@]3(CCCN(Cc4cscn4)C3)C2)cc1 215976721 OTKWZAVLSGAOPW-FQEVSTJZSA-N 341.524 4.021 0 50 EIAA CC(C)Cc1cc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)on1 219460150 UTRSPQXWQIBOEP-UHFFFAOYSA-N 341.238 4.039 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](O)[C@@]4(C)CC[C@H]32)C1 242592346 OQHMNEGOKQMOFM-IVECGHKRSA-N 332.484 4.242 0 50 EIAA O=C(O)C1CCC(N[C@H](Cc2ccccc2)c2ccccc2F)CC1 263396310 GSEGXGAEWABYQO-LBXVMSDZSA-N 341.426 4.343 0 50 EIAA CC[C@H](NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1ccc(C)cc1 822655553 WORFGHDNHRCPCG-IBGZPJMESA-N 340.467 4.462 0 50 EIAA CC(C)(C)SCCNC(=O)C[C@H](c1ccccc1)c1ccco1 952964939 PPVDXVCGRWNUEJ-MRXNPFEDSA-N 331.481 4.450 0 50 EIAA O=C(Nc1ccc(-c2nncs2)cc1)c1c(F)ccc2occc12 1875342403 PRHVOBLELLPTFA-UHFFFAOYSA-N 339.351 4.343 0 50 EIAA c1cc2ccc(CNc3ccc(N4CCN(C5CC5)CC4)cc3)cc2[nH]1 2325758166 DEGYMVPYXXMWKQ-UHFFFAOYSA-N 346.478 4.064 0 50 EIAA O=C(O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 31386 KQPUCASWMPCCHY-UHFFFAOYSA-N 331.371 4.155 0 50 EIAA CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc(C)c1C 89569 ULFXUQARNWBNLJ-CABCVRRESA-N 343.448 4.284 0 50 EIAA O=c1oc(-c2ccc(Br)cc2)nc2cc(Cl)ccc12 292564 OVECLOOHLQPJJQ-UHFFFAOYSA-N 336.572 4.271 0 50 EIAA Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1 3815028 BZHDPIVTQKXAQQ-UHFFFAOYSA-N 340.184 4.012 0 50 EIAA in-vitro Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 4839945 NXHOQYKCARJAGV-UHFFFAOYSA-N 344.414 4.177 0 50 EIAA CCN(CC)Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1 5041754 ARFFSGPCLPWMOD-UHFFFAOYSA-N 340.467 4.163 0 50 EIAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1Cl 6745563 LXMMKNHZGFOPAH-HNNXBMFYSA-N 331.799 4.150 0 50 EIAA COc1ccc2c(ccn2CCC(=O)Nc2ccccc2Cl)c1 12324400 YRHNQRFRXAVWNT-UHFFFAOYSA-N 328.799 4.332 0 50 EIAA O=C(Nc1ccc(Br)cc1)N1CCC[C@@H]1c1ccco1 15837904 VNWCWSBVCWHVRP-CYBMUJFWSA-N 335.201 4.411 0 50 EIAA Cc1cccc(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c1C 16651434 RCNUGPIVZOIYMN-UHFFFAOYSA-N 332.407 4.014 0 50 EIAA Cc1ccc(OC2CCN(CCc3nc(C)sc3C)CC2)cc1 19791243 DXKFPXOIZMKZAB-UHFFFAOYSA-N 330.497 4.154 0 50 EIAA Cc1nc(C)c(-c2cccc(-c3ccn(C[C@H]4CCCO4)n3)c2)s1 20514300 FSAXPIJOPSSENJ-QGZVFWFLSA-N 339.464 4.469 0 50 EIAA CCc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)ccn1 71479633 UPXZFGYBGIMECD-KRWDZBQOSA-N 340.442 4.268 0 50 EIAA Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2coc(-c3ccccc3)n2)n1 71751220 ZKVPVLCBJUKQHS-MRXNPFEDSA-N 347.422 4.280 0 50 EIAA CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccccc1C(F)(F)F 72140620 ONRKRWKATNSOJQ-NSHDSACASA-N 337.345 4.131 0 50 EIAA Cc1nc(C)c(C(=O)N(C)Cc2csc(-c3ccccc3)n2)s1 72427280 BPLLYEQXPTYSLB-UHFFFAOYSA-N 343.477 4.156 0 50 EIAA CCc1ocnc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 77407351 JHEBZARQOKPOKE-UHFFFAOYSA-N 336.391 4.302 0 50 EIAA CC(=O)C[C@H](c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O 100030921 DEKWZWCFHUABHE-OAHLLOKOSA-N 342.778 4.263 0 50 EIAA in-vitro CC(C)c1ncc(Cl)c(C(=O)Nc2cccc3ncccc23)n1 120596552 UTKYQBHIBBAIHQ-UHFFFAOYSA-N 326.787 4.054 0 50 EIAA COC(=O)Nc1cccc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)c1 158169201 GQWKGCCDEIPRJI-QGZVFWFLSA-N 338.407 4.017 0 50 EIAA Cc1noc([C@@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)n1 804907140 TYMAJPIUJYXDCO-NSHDSACASA-N 347.827 4.223 0 50 EIAA CCCn1cc(C(=O)N(Cc2ccco2)Cc2cccs2)c(C)n1 823026264 FFYFTIDPIDUDDI-UHFFFAOYSA-N 343.452 4.099 0 50 EIAA OC[C@]1(NCc2cccc(CC3CCC3)c2)CCCc2ccccc21 1474123072 KBOPPBJWWCHTTC-HSZRJFAPSA-N 335.491 4.343 0 50 EIAA Cc1ccc(-c2ccnc(-c3cc(Cl)c(O)cc3F)n2)c(C)n1 1772819530 NTFNELNSYTZHKA-UHFFFAOYSA-N 329.762 4.321 0 50 EIAA COc1ccc(COC(=O)[C@]2(C)C[C@H]2F)cc1SC(F)(F)F 1875309441 SYUKJDQASNSRQK-DGCLKSJQSA-N 338.322 4.098 0 50 EIAA C[C@]1(c2cccc(F)c2)CCN(Cc2c[nH]nc2-c2cccs2)C1 1875322838 KCBDUYPPBQSNJU-IBGZPJMESA-N 341.455 4.441 0 50 EIAA O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1CCCc2scnc21 2325773561 XQBPHJLJZZFNFW-BPLDGKMQSA-N 346.883 4.279 0 50 EIAA Cc1ccnc2ccc(-c3cccc([C@@H](O)Cn4ccnc4)c3)cc12 2325855166 KONBFDLOTASBKA-NRFANRHFSA-N 329.403 4.140 0 50 EIAA Cc1cc(C(=O)Nc2nc(C)c(C)c(C)n2)c2cc(Cl)ccc2n1 2356167386 YCPBVYDCQXXNDL-UHFFFAOYSA-N 340.814 4.164 0 50 EIAA CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C)cc1 95866 VADGSZGJTTYKFS-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA Cn1c(SCC(=O)c2cc3ccccc3o2)nnc1-c1ccccc1 106828 BLNIIISLHWDRRU-UHFFFAOYSA-N 349.415 4.203 0 50 EIAA Fc1ccccc1N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 240159 ZQMPHBHMLZIALH-UHFFFAOYSA-N 338.348 4.167 0 50 EIAA O=C(OCc1ccc(Cl)cc1Cl)c1cc2ccccc2oc1=O 578981 LGSCCSYHJUBEDB-UHFFFAOYSA-N 349.169 4.457 0 50 EIAA CC1=CC(C)(C)N2C(=O)[C@]3(Nc4ccccc4O3)c3cc(C)cc1c32 1461523 GMQRAQJBGAMUKL-NRFANRHFSA-N 332.403 4.194 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 2868737 MQKMLTJHBSVFDQ-UHFFFAOYSA-N 330.387 4.500 0 50 EIAA CCCC[C@H](CC)CNC(=O)Cc1ccc(Br)cc1 2991761 ZPHLGJLDEASSBL-ZDUSSCGKSA-N 326.278 4.324 0 50 EIAA O=C(CCC(=O)NC1CCCCCCC1)NC1CCCCCCC1 4904477 XFADRQGMKTUJON-UHFFFAOYSA-N 336.520 4.225 0 50 EIAA CCOc1ccccc1[C@@H]1CC(=O)Nc2c1ccc1c(O)cccc21 4913783 VJVVABBCONFBTH-KRWDZBQOSA-N 333.387 4.418 0 50 EIAA Cc1noc(C)c1C(=O)NCCC(c1ccccc1)c1ccccc1 6887111 MGWYQWVOUHVOOY-UHFFFAOYSA-N 334.419 4.243 0 50 EIAA Cc1c(C)n(-c2nccs2)c2ncnc(NCc3ccccc3)c12 9050120 YCKJKQJSMZCHGY-UHFFFAOYSA-N 335.436 4.106 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCCc1ccncc1 15069335 HUEJLLRMUBEBDE-FQEVSTJZSA-N 348.421 4.102 0 50 EIAA C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccccc2-c2ccccc2)C1 35052958 ABPFCTGMKMWQTL-NSHGMRRFSA-N 339.479 4.071 0 50 EIAA CC(C)N1CCC(CC(=O)N[C@H](CC(C)(C)C)c2cccnc2)CC1 95355893 QIHLAHZKWXHTBY-LJQANCHMSA-N 345.531 4.186 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(Cl)c(Cl)c1 96135762 FENQNDMJSMODCD-GFCCVEGCSA-N 331.243 4.416 0 50 EIAA COc1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1Cl 97679793 KRVMICRKBYVJGO-UHFFFAOYSA-N 330.815 4.037 0 50 EIAA COc1ccc(C(C)(C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 158956985 DDWRLKFGOREZPQ-UHFFFAOYSA-N 327.468 4.058 0 50 EIAA Cc1nc2cc(NC(=O)[C@@](C)(CC(=O)O)C3CCCCC3)ccc2o1 169975500 GHDTUEZZVHRHCY-IBGZPJMESA-N 344.411 4.136 0 50 EIAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Cl)nc1Cl 175747541 IQKSHKWGYXBCBL-DGCLKSJQSA-N 335.234 4.407 0 50 EIAA COc1ccccc1Oc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1 237167215 ZMIWRMKKXJEUEJ-FQEVSTJZSA-N 348.402 4.126 0 50 EIAA CCC(C)(C)C1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 252585767 KXLYYJSGANPOQI-SWHNLWLKSA-N 336.520 4.094 0 50 EIAA c1ccc(-c2ccc(Cn3ccnc3)cc2)c(C[C@H]2CCCCN2)c1 665211902 JQJBUOCIGYGWPT-OAQYLSRUSA-N 331.463 4.283 0 50 EIAA CSc1cccc(NC(=O)c2cc3ccccc3c(=O)s2)c1 888090521 GFVIYLNPICTVPO-UHFFFAOYSA-N 327.430 4.236 0 50 EIAA CSCc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 1772491451 VVOUJMKSZLNEOE-UHFFFAOYSA-N 331.253 4.023 0 50 EIAA C[C@H](CCn1cccn1)n1ccnc1-c1ccc2cccc(F)c2n1 1857687775 DLMWYMIRQZZVPI-CQSZACIVSA-N 335.386 4.085 0 50 EIAA CN(Cc1cccc2ccccc12)C(=O)c1ccc2c(=O)ccoc2c1 2325701125 BRHCKMNLMIDBSP-UHFFFAOYSA-N 343.382 4.218 0 50 EIAA Cc1ccc(-c2cccc(CNc3cnccc3-n3ccnn3)c2)cc1 2325823134 GDJLOEPRRRDXQE-UHFFFAOYSA-N 341.418 4.250 0 50 EIAA CN(Cc1ccc2nn[nH]c2c1)C(=O)CC1CCC(C(C)(C)C)CC1 2325879946 NHLPGZTVTIYZMX-UHFFFAOYSA-N 342.487 4.159 0 50 EIAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccco1 29998 DYOHSZKFTCKMFZ-UHFFFAOYSA-N 325.751 4.416 0 50 EIAA COC(=O)c1ccccc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 42750 HFQAPTUIFKOBRP-GXFFZTMASA-N 342.222 4.003 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)cc1OC 116103 RCHMVMODKXLORU-WUXMJOGZSA-N 325.408 4.479 0 50 EIAA Cc1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccccc1 456931 BURFHMZXWOSNMP-LBPRGKRZSA-N 334.213 4.164 0 50 EIAA COc1ccccc1-c1c(C(F)(F)F)oc2cc(O)ccc2c1=O 5729881 TYNKRRODOIVTEL-UHFFFAOYSA-N 336.265 4.193 0 50 EIAA biogenic O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1Cl 10296570 FRYYSLDHAIUOKJ-OAHLLOKOSA-N 331.799 4.150 0 50 EIAA Cc1ccc(Cn2ccc(NC(=S)Nc3ccc(C)cc3)n2)cc1 13330854 OPUKPJZRVRTEJW-UHFFFAOYSA-N 336.464 4.357 0 50 EIAA c1ccc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 22455064 SUBIJFYEXXITCD-UHFFFAOYSA-N 349.503 4.128 0 50 EIAA Cc1cccc(-c2nc(Cn3ccnc3-c3ccncc3)cs2)c1 77423553 AHSUPGGOXKKFBP-UHFFFAOYSA-N 332.432 4.425 0 50 EIAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](c2ccccc2C)C1 91304751 VBAOKLAXJPBPAH-KRWDZBQOSA-N 339.483 4.355 0 50 EIAA CCOc1cc2c(cc1NCc1nc(C3CCCC3)no1)O[C@@H](C)C2 151837224 MXIGWFYYSSIEBN-LBPRGKRZSA-N 343.427 4.061 0 50 EIAA Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)sc1-c1cccc(Cl)c1 170868253 ASJVSLAPZWGLRC-HNNXBMFYSA-N 348.899 4.153 0 50 EIAA COc1ccccc1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 225503285 GNDDHLMCITYLCB-INIZCTEOSA-N 327.428 4.073 0 50 EIAA Cc1ccc(OCCCC(=O)NC[C@@H]2CCCC(F)(F)C2)cc1 225707465 VQQLTYGLDCXIBB-OAHLLOKOSA-N 325.399 4.096 0 50 EIAA Cc1cccc2nc(CNC(=O)[C@H](c3ccccc3)C3CCCC3)cn12 244716063 LHRXRFSRLXDBGO-OAQYLSRUSA-N 347.462 4.233 0 50 EIAA CC1(C)[C@H]2CC=C(CCNC(=O)c3ccccc3-c3ncc[nH]3)[C@@H]1C2 244899778 ZPZDUTOBNABWDB-YJBOKZPZSA-N 335.451 4.189 0 50 EIAA C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1 245237679 QLLGRFSREQQRPP-JLSDUUJJSA-N 334.891 4.172 0 50 EIAA C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)C1(F)F 252484225 FSBNXANLCVPOPG-UHOFOFEASA-N 345.393 4.032 0 50 EIAA C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O 253505318 USGKSIJYOHEDEV-NIMBFUQJSA-N 330.468 4.261 0 50 EIAA biogenic,in-vitro CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccc(Cl)cc2)CC1 255189757 RVRXLTUWAXBOKA-WKILWMFISA-N 338.879 4.266 0 50 EIAA O=C(c1cnc2c(F)cccc2c1)N1CCC[C@@H](c2ccccc2)C1 348881681 RCVWXYZQOGXHNF-QGZVFWFLSA-N 334.394 4.394 0 50 EIAA CC1CCC(CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)CC1 1477613117 XRDFJSVYPDGYRN-PKUCOELMSA-N 336.426 4.336 0 50 EIAA COc1ccc2nc(C=Cc3cn(C4CCC4)nn3)ccc2c1Cl 1857530200 GNFUQPNEPHXXLF-UHFFFAOYSA-N 340.814 4.384 0 50 EIAA Cc1nc2ccc(-n3ccnc3C3CCN(C(C)C)CC3)cc2s1 1857693145 JZPOYAYRRFVWJD-UHFFFAOYSA-N 340.496 4.378 0 50 EIAA C[C@H]1CC(c2ccccc2F)=NN(Cc2ccc(Cl)cc2)C1=O 1875334296 ITOXXXBSJCGKHO-LBPRGKRZSA-N 330.790 4.252 0 50 EIAA CC[C@@H](C)Oc1cccc(CNC(=O)c2ccc(O)nc2C(C)C)c1 2100554898 GVUNUGTVSWNUPM-CQSZACIVSA-N 342.439 4.018 0 50 EIAA Cc1nc2ccc(-c3cccc(OCCn4ccnc4)c3)cc2cc1O 2325855287 QOTULWZPEVGFIP-UHFFFAOYSA-N 345.402 4.191 0 50 EIAA Cc1cccc(C[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 281860 MFZPHGWZLSLFLL-CYBMUJFWSA-N 348.229 4.424 0 50 EIAA Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 307064 YSLZROGUCZTQQD-UHFFFAOYSA-N 345.398 4.072 0 50 EIAA CSc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 571694 ABRZFFHPRGYQKV-UHFFFAOYSA-N 329.446 4.363 0 50 EIAA O[C@@H](c1ccccc1)c1nc2ccccc2n1CCOc1ccccc1 613024 YVKUTTUKTCLSGL-NRFANRHFSA-N 344.414 4.197 0 50 EIAA COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1Cl 858560 HXWNABQLGSSQMH-UHFFFAOYSA-N 330.815 4.201 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1 1807964 KJACIKNXZSEPIM-UHFFFAOYSA-N 325.408 4.431 0 50 EIAA CCc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)cc3)ccc12 4811271 DWAADOICVQSTPC-UHFFFAOYSA-N 328.751 4.228 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)C[C@H]2C)cc1 6698213 JHSKVGDRAVNDCX-GOSISDBHSA-N 337.467 4.354 0 50 EIAA Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1ccccc1)C2 10156532 SIMYCGQLTJFJOA-MRXNPFEDSA-N 329.403 4.441 0 50 EIAA COc1ccc(Cl)cc1NC(=O)/N=c1\cc(C)[nH]c2ccccc12 13816309 YBLWOZUPHDKFOT-UHFFFAOYSA-N 341.798 4.271 0 50 EIAA in-vitro O[C@H](CNCc1cccc(OCc2ccccc2)c1)c1ccccc1 19691196 MMUSLFVNAYCBTD-JOCHJYFZSA-N 333.431 4.089 0 50 EIAA Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc4cc[nH]c4c3)c12 36358617 HJGHTLFZZFOSFI-UHFFFAOYSA-N 334.379 4.388 0 50 EIAA Cc1nc(C)c(Cn2cnc(-c3ccccc3)c2[C@H]2CCOC2)s1 65371277 KJENXDKCURTRPS-INIZCTEOSA-N 339.464 4.176 0 50 EIAA CCOc1ccc2ccccc2c1CN1CCO[C@H](C(F)(F)F)C1 71763178 UJJLVTXZWLYDGC-KRWDZBQOSA-N 339.357 4.002 0 50 EIAA Fc1ccc2ncnc(N3CCO[C@@H](c4cccc(Cl)c4)C3)c2c1 183971674 WPWPPHWNXWGKDT-QGZVFWFLSA-N 343.789 4.000 0 50 EIAA COc1cc(SC)ccc1NC(=O)c1ccc(Br)o1 192698356 GYOKADVWKOTZRK-UHFFFAOYSA-N 342.214 4.025 0 50 EIAA CCc1cc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)on1 244718978 LUMRCILMYXNINM-AWEZNQCLSA-N 344.480 4.054 0 50 EIAA O[C@H](C[C@H]1CCCCCN1Cc1ncc(C2CC2)o1)c1ccco1 253416132 WJVHRCCVMUSQPT-HZPDHXFCSA-N 330.428 4.013 0 50 EIAA Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 888904057 HCQLNTHKIBOAGN-SJLPKXTDSA-N 337.467 4.144 0 50 EIAA Cc1cc(Oc2cccc(Oc3cnccn3)c2)nc(C2CCC2)n1 893602225 ICUWRBWEOKJGEI-UHFFFAOYSA-N 334.379 4.427 0 50 EIAA Cc1ccc(C)c(C2CCN(C(=O)Nc3ccnn3C3CC3)CC2)c1 934543990 MISSYZVROPHKTE-UHFFFAOYSA-N 338.455 4.246 0 50 EIAA C[C@@H](c1cccc(CN(C)Cc2ccc3ncccc3c2)c1)N(C)C 952982215 FWILUOXNATZCFM-KRWDZBQOSA-N 333.479 4.489 0 50 EIAA C[C@H](CCc1c[nH]c2ccccc12)N1CCC(c2ccnc(O)c2)CC1 1772808120 ZKLYRKOFGWYHRD-MRXNPFEDSA-N 349.478 4.469 0 50 EIAA Fc1cccc(-c2nccn2CC[C@@H]2CCCN3CCCC[C@H]23)c1F 1857676671 WIOSCNGGFYCISD-MAUKXSAKSA-N 345.437 4.483 0 50 EIAA CN1Cc2cc(-c3ncc(C(F)(F)F)cc3Cl)ccc2C1=O 1857734290 HLFNIJOVSZSOPD-UHFFFAOYSA-N 326.705 4.006 0 50 EIAA Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CCCC3 102742 QVRRFBXVCRRHAN-UHFFFAOYSA-N 341.432 4.421 0 50 EIAA O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1ccco1 138165 BLAFZHUGYZNCJT-UHFFFAOYSA-N 337.360 4.310 0 50 EIAA CCOc1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 145115 CEQSEBSNQCUPJE-UHFFFAOYSA-N 340.206 4.410 0 50 EIAA CSc1ccc([C@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 221969 XIRDQZVOWARVPD-UONOGXRCSA-N 328.466 4.208 0 50 EIAA Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 226278 XIAIDGYQELIRNT-UHFFFAOYSA-N 344.461 4.228 0 50 EIAA COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cn2)cc1Cl 444129 QEFAPIGIFHAGOW-UHFFFAOYSA-N 331.586 4.303 0 50 EIAA O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1O 467212 OMUJYDCSXZOFCK-UHFFFAOYSA-N 328.220 4.430 0 50 EIAA CC(=O)Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 467706 GJTPHKXAZAJWJY-UHFFFAOYSA-N 334.253 4.096 0 50 EIAA Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(Br)c1 611470 YMBCPIWQXFMNMB-UHFFFAOYSA-N 349.184 4.130 0 50 EIAA Clc1ccccc1-c1nnc2sc(Nc3ccccc3)nn12 613160 QPDFFXVWNLFZRH-UHFFFAOYSA-N 327.800 4.250 0 50 EIAA CCOc1cccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)c1 859806 FGWIPQAYUVRRCY-UHFFFAOYSA-N 348.855 4.174 0 50 EIAA O=Cc1cn(Cc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 2557877 SFAASPGBXHDIIW-UHFFFAOYSA-N 330.309 4.430 0 50 EIAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2ccccc2[nH]1 2740453 LZSNHZFOOVPEBX-UHFFFAOYSA-N 343.814 4.322 0 50 EIAA O=c1cc(-c2ccccc2F)nc(-c2cccc(Br)c2)o1 4754511 GXUOYVSHHQIEGN-UHFFFAOYSA-N 346.155 4.270 0 50 EIAA COc1cc(CNC2CCC(C(C)(C)C)CC2)cc(OC)c1OC 4989332 BOVJJQPAOBLYFB-UHFFFAOYSA-N 335.488 4.407 0 50 EIAA Clc1ccccc1/C=C/c1nn2c(-c3ccccn3)nnc2s1 8990741 JOSVGJYLYHARIY-CMDGGOBGSA-N 339.811 4.072 0 50 EIAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C4CCC4)C3)C2=O)cc1 11753421 IPJZHLZIMKOWEU-QFIPXVFZSA-N 340.511 4.177 0 50 EIAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNCc3cnn(C)c3)cc12 12759270 KASGTJWWXAUPPS-UHFFFAOYSA-N 348.425 4.306 0 50 EIAA O=C(O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc1 15017250 VUIVNIRTYXJXCX-JQFCIGGWSA-N 329.783 4.283 0 50 EIAA CN1CCC(C(=O)Nc2ccc(CSc3ccccc3)cc2)CC1 71384888 VCNAMLCWDUWRKA-UHFFFAOYSA-N 340.492 4.259 0 50 EIAA COCc1nn2c(-c3ccc(OC)cc3)ccnc2c1-c1ccccc1 72119314 IMIGUCCNIKYJNP-UHFFFAOYSA-N 345.402 4.218 0 50 EIAA COc1cccc([C@H]2CCCN2C(=O)C2=Cc3ccccc3OC=C2)c1 82106512 LRBJKIRRVQTLEX-HXUWFJFHSA-N 347.414 4.348 0 50 EIAA FC(F)(F)COc1ccc(CNc2ncnc3ccccc23)cc1 170638086 WLJWRUMFTQSTHR-UHFFFAOYSA-N 333.313 4.183 0 50 EIAA COc1cccc(-c2nsc(NC(=O)c3csc(C)c3C)n2)c1 180122394 SULCPHAEOMXQNN-UHFFFAOYSA-N 345.449 4.144 0 50 EIAA CC(C)[C@H](NCc1ccc(Br)o1)c1nc2ccccc2[nH]1 236786977 ZJCZGFHYZCFOBV-HNNXBMFYSA-N 348.244 4.405 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)Nc2cc(C(C)(C)C)nn2C)c(C)s1 299799055 UIVNONMMJKRYKH-SNVBAGLBSA-N 349.504 4.016 0 50 EIAA CC(C)c1nnc(CN2CCCC[C@H]2c2nc3ccccc3o2)o1 328644443 GPKBXSVVLAGFDL-AWEZNQCLSA-N 326.400 4.061 0 50 EIAA C[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cc2ccccc2s1 337309789 ZNRBTUDTRPHYPP-LBPRGKRZSA-N 348.427 4.234 0 50 EIAA Cc1sccc1CC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 346261265 ZAOPONIVUUZLQN-ZWKOTPCHSA-N 347.455 4.117 0 50 EIAA O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CC=C(c2ccccc2)C1 354993407 HBIXLLBPTHZDRI-UHFFFAOYSA-N 340.785 4.500 0 50 EIAA COc1cccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c1O 408514142 GWQRILBERVZDME-UHFFFAOYSA-N 345.704 4.325 0 50 EIAA Cc1ccc(-c2cccc(C(=O)N3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)c2)c(C)n1 426550969 BKMRHAKHTFJWKI-VVIORFSUSA-N 346.474 4.484 0 50 EIAA CC(C)[C@@H](N[C@@H](C)C(=O)Nc1nccs1)c1ccc(Cl)cc1 433782632 JWKRZAABCUVYJB-SMDDNHRTSA-N 337.876 4.110 0 50 EIAA CCCCc1nc(CN(C)Cc2ccc3nsnc3c2)c(Cl)[nH]1 952963874 AIDCLDHULPIDGX-UHFFFAOYSA-N 349.891 4.042 0 50 EIAA Cc1noc(C(=O)Nc2cc3ccccc3n2C)c1-c1ccc(O)cc1 2325821187 PVNRPJZPUPGTOQ-UHFFFAOYSA-N 347.374 4.100 0 50 EIAA Cn1c(=O)n(Cc2ccc(C3CCCCC3)cc2)c2ccsc21 2325863593 PMEOZNKVFMFPSI-UHFFFAOYSA-N 326.465 4.498 0 50 EIAA Cc1cc(Br)cc(C)c1NC(=O)C(Cl)(Cl)Cl 451121 CUIWAPYVBVOVGQ-UHFFFAOYSA-N 345.451 4.375 0 50 EIAA Cn1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c2ccccc21 2423532 KEOHLLMOOUKYOC-GZTJUZNOSA-N 334.400 4.419 0 50 EIAA aggregator CCn1cc([C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)c(C)n1 2852336 AGGGFGOPVUCWBR-SECBINFHSA-N 340.855 4.052 0 50 EIAA S=C(NC[C@@H]1CCCO1)Nc1cc(Cl)c(Cl)cc1Cl 2858132 CLKQVGWEIQPDRP-ZETCQYMHSA-N 339.675 4.112 0 50 EIAA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccco1 4512013 JDMNVBDMGZBIBS-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA COc1cccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 4955910 QMVSIWSXZWDYER-LSDHHAIUSA-N 336.218 4.221 0 50 EIAA O=C(CSc1nnc(/C=C/c2ccccc2)o1)c1ccc(F)cc1 5899241 CCEZQFXVGRLXEJ-IZZDOVSWSA-N 340.379 4.354 0 50 EIAA O=C(CCC1CCN(C[C@@H]2CC=CCC2)CC1)Nc1ccccc1 12711644 HWGZDUYRHJJCNN-LJQANCHMSA-N 326.484 4.474 0 50 EIAA COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1OC 13325819 CTIVCKQBXBGAPS-UHFFFAOYSA-N 343.276 4.114 0 50 EIAA CCc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)csc1C 13331542 OPNFRVGOZGLVAU-UHFFFAOYSA-N 348.899 4.235 0 50 EIAA O=C(Nc1nnc(C(F)(F)F)s1)c1cc2c(s1)CCCCC2 13746652 CTJXYALOVPYTFX-UHFFFAOYSA-N 347.387 4.140 0 50 EIAA CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 15010563 ZIAKJPQMCXDKBB-ATVHPVEESA-N 339.416 4.322 0 50 EIAA CCSc1nnc(NC(=O)c2csc3c2CC[C@H](C)C3)s1 17016973 VNPMBHGRMJRUQR-QMMMGPOBSA-N 339.511 4.089 0 50 EIAA CCOC(=O)c1sc(-c2ccc(OCC(C)C)c(C=O)c2)nc1C 39351848 AIQMFFCWDAIGNV-UHFFFAOYSA-N 347.436 4.143 0 50 EIAA in-vitro CCCc1c(OCCCCN2CCCCC2)ccc(C(C)=O)c1O 45068642 STQSGNRDIRSFBB-UHFFFAOYSA-N 333.472 4.192 0 50 EIAA CC[C@H](C)N(Cc1cccnc1)Cc1ccc(OC)c(COC)c1 55369419 FAARIDCMXSNDCL-INIZCTEOSA-N 328.456 4.037 0 50 EIAA COc1ccc(CN2CCCC2)cc1Oc1cccc(C(C)=O)c1 67757306 AQYLLIZCCPYBQB-UHFFFAOYSA-N 325.408 4.286 0 50 EIAA CC(C)(O)CCc1ccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)cc1 72408845 AWXPYWRNZHOGLF-IBGZPJMESA-N 341.426 4.116 0 50 EIAA COc1ccc(C(=O)N2CCC[C@@H](c3ccccc3C)C2)c(F)c1F 77337093 OJVDSDRBSUFEOH-CQSZACIVSA-N 345.389 4.302 0 50 EIAA CC(=O)c1cc(CC(=O)N2CCC[C@H](c3ccccc3C)C2)cs1 77541012 RREUCXONKMOFLF-KRWDZBQOSA-N 341.476 4.208 0 50 EIAA O=C(c1ccc2ccccc2c1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 92066316 VLVLSKCRTMORPV-IBGZPJMESA-N 345.442 4.037 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)c2cccc(C)c2F)c1C 127340476 LXHJWTDDERICCA-UHFFFAOYSA-N 328.387 4.433 0 50 EIAA Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc(Br)o1 170615551 UOLMUDGBXQRYMQ-BDAKNGLRSA-N 327.222 4.101 0 50 EIAA CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 170677573 NXUZUKMPUTZNSE-HNAYVOBHSA-N 326.440 4.030 0 50 EIAA COc1ccc(C)cc1NCCC(=O)N1CCC[C@@H]2C[C@H](C)CC[C@@H]21 229875608 NDVUPQVGBBBQNP-SUMDDJOVSA-N 344.499 4.233 0 50 EIAA CCC(C)(C)[C@@H]1CCCN1CC(=O)N1CCC[C@H]1c1cccs1 241590518 PFMBKFVQLFWOEE-RDJZCZTQSA-N 334.529 4.312 0 50 EIAA CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(OC(F)F)cc2)C1 247156768 RUCICVQYYCWHHY-ZRIXJBFPSA-N 345.455 4.018 0 50 EIAA C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 252457361 BVZJNRTVFVITJB-GDLCADMTSA-N 349.780 4.345 0 50 EIAA C[C@H](O)c1ncc(C(=O)Nc2cccc(Nc3ccccc3)c2)s1 253404295 ILBSJTZTJDPWJG-LBPRGKRZSA-N 339.420 4.192 0 50 EIAA O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CCC2(CCCO2)CC1 426584647 HOSIVQJHTOYOAF-RBUKOAKNSA-N 342.483 4.067 0 50 EIAA O=C(CSc1ccncc1)N[C@H]1CCCC[C@@H]1c1ccccc1 500903063 QUYWBBHUNSXOKU-MSOLQXFVSA-N 326.465 4.016 0 50 EIAA O=C(Nc1cc(-c2ccc(F)cc2)no1)[C@H]1C[C@@H]1c1cccs1 1177531465 WYEXVZYRLSCPRP-STQMWFEESA-N 328.368 4.284 0 50 EIAA COc1ccc2cc(COC(=O)[C@@H](C)Cc3ccncc3)ccc2c1 2325855079 HBNQTEOQOJFLTF-HNNXBMFYSA-N 335.403 4.165 0 50 EIAA Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1 92766 QSRMLRHJQILLKH-UHFFFAOYSA-N 330.313 4.488 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)N1c2ccc(F)cc2CC[C@H]1C 483678 HMUCRJRZWGLFED-KUHUBIRLSA-N 327.399 4.351 0 50 EIAA Cc1ccc(OCn2ccc(C(=O)Nc3cc(C)ccc3C)n2)c(C)c1 2796393 GXWGDQYNILMBGL-UHFFFAOYSA-N 349.434 4.406 0 50 EIAA Cc1ccc(CNc2ncnc3onc(-c4ccc(F)cc4)c23)cc1 8595157 VTQWKPXPONMPCA-UHFFFAOYSA-N 334.354 4.344 0 50 EIAA Cc1cccc(C)c1C(=O)N[C@H]1CCCN(C2CCCCCC2)C1 12055482 NTCFIGIBTHSUTE-SFHVURJKSA-N 328.500 4.220 0 50 EIAA CSc1cccc(CNC(=O)c2ccc3nc(C4CC4)oc3c2)c1 12073450 UWLNAGBHMRURPV-UHFFFAOYSA-N 338.432 4.357 0 50 EIAA CC(C)CNC(=S)Nc1cnn(Cc2cccc3ccccc23)c1 13331017 GEXNBWCBESQDKE-UHFFFAOYSA-N 338.480 4.027 0 50 EIAA CSc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 19360251 DHRIGVPYBCIIJV-UHFFFAOYSA-N 346.927 4.380 0 50 EIAA CCCn1nccc1C(=O)N1CCC[C@@H](CCc2ccccc2C)C1 71385660 AZYUGBNJIUVKTL-SFHVURJKSA-N 339.483 4.087 0 50 EIAA Cc1csc([C@H](C)N(C)C(=O)c2cc(C)nc3c(C)cccc23)n1 72432823 PUGYSCUAWTXHLD-AWEZNQCLSA-N 339.464 4.450 0 50 EIAA CC(=O)c1cc(CC(=O)N2CCCCC[C@@H]2c2ccco2)cs1 82096227 GDLJPSYOMLMOSM-OAHLLOKOSA-N 331.437 4.230 0 50 EIAA c1cc(CN2CCC[C@H]2c2nc3ccccc3[nH]2)c2c(c1)OCCCO2 170606900 VSPFZGUZXMPLSP-SFHVURJKSA-N 349.434 4.061 0 50 EIAA CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 170631329 ACSWWXKIMLTEIZ-JCNKGUOZSA-N 348.531 4.096 0 50 EIAA Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(CC2CCCCC2)n[nH]1 182718992 JKQOGLQBHCODSG-UHFFFAOYSA-N 343.475 4.045 0 50 EIAA O=C(c1cc(F)cc2cccnc12)N(c1ccccn1)C1CCCC1 239882329 DBEUXPCPHCLNAN-UHFFFAOYSA-N 335.382 4.358 0 50 EIAA CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1 253433619 ZMZYQEDBTQKRCT-KRWDZBQOSA-N 337.427 4.143 0 50 EIAA C[C@]12CCC3(C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 257345755 IDOHVJIGNBUAFN-GMZCJUQFSA-N 334.500 4.133 0 50 EIAA c1ccc2c(OCCCN3CCC(c4ccn[nH]4)CC3)cccc2c1 303122864 NLZACDFOAYCMFV-UHFFFAOYSA-N 335.451 4.211 0 50 EIAA CCC1(N(C)C)CCN(c2ccc(C(C)=O)c(C(F)(F)F)c2)CC1 894930741 WTFLLUKUESFNCF-UHFFFAOYSA-N 342.405 4.219 0 50 EIAA CCc1ccc(-c2noc([C@@H](C)n3ccc(C(F)(F)F)n3)n2)cc1 904573757 IZOBDQWTWBPPOL-SNVBAGLBSA-N 336.317 4.124 0 50 EIAA COc1ccc([C@H]2CCN(C(=O)Nc3c(C)noc3C(C)C)C2)cc1 932870906 MTJJUQQVWXVXKR-HNNXBMFYSA-N 343.427 4.136 0 50 EIAA COC[C@H](C)N(Cc1cccc(F)c1)C(=O)c1ccc(SC)cc1 952978956 MFASDJAMJNSONS-AWEZNQCLSA-N 347.455 4.225 0 50 EIAA Cc1ccc(S(=O)(=O)c2ncsc2Sc2ccccc2)cc1 1857800194 YIWSJEZUWYPSCE-UHFFFAOYSA-N 347.486 4.436 0 50 EIAA CCc1ccc([C@H](Nc2ncnc3c2ncn3CC)C(C)(C)C)o1 1875264976 TZOVRNIJSJCWFQ-HNNXBMFYSA-N 327.432 4.201 0 50 EIAA CN(C(=O)Nc1cc(F)c(F)c(C(F)F)c1)c1cccc(O)c1 1875338821 NATWLHWJTWEYGZ-UHFFFAOYSA-N 328.265 4.276 0 50 EIAA C[C@@H]1Cc2cc(CN3CC(C)(C)O[C@]4(C[C@H]5CC[C@H]4C5)C3)ccc2O1 2325871591 RBJHIPDAACJKCD-FMERGGRFSA-N 341.495 4.180 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1Cl 63529 NXWACSZGSGLKBU-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc(C)c1C 142439 JYXXIAQUVKWFGD-UHFFFAOYSA-N 331.437 4.113 0 50 EIAA O=C1O[C@@H](COc2ccccc2)CN1c1ccc(Cl)c(Cl)c1 192393 NFFGDXKXOVFESX-CYBMUJFWSA-N 338.190 4.398 0 50 EIAA O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1cccs1 378745 ZNWAMBGKLIPNFQ-LBPRGKRZSA-N 328.418 4.394 0 50 EIAA O=C(NC(=S)Nc1cccc(Cl)c1)c1ccccc1Cl 398465 BJCVHSSRAYRKJX-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA O=C(C[C@@H]1Sc2ccccc2N=C1O)Nc1ccc(F)cc1F 1306662 WQXXUFNTHKIPDE-AWEZNQCLSA-N 334.347 4.056 0 50 EIAA CCCCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1 2109217 HTBUQHQMFMYKKY-QZTJIDSGSA-N 329.440 4.415 0 50 EIAA O=C(CSCc1c(F)cccc1Cl)N1CCc2ccccc2C1 2876841 DDBGQYSJTFDITC-UHFFFAOYSA-N 349.858 4.297 0 50 EIAA O=C(Nc1ccc(Cl)cc1)c1ccc(OC[C@H]2CCCO2)cc1 3549198 WGQXBYDIESUMIT-QGZVFWFLSA-N 331.799 4.150 0 50 EIAA CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1cccnc1 6726012 JKLYQORLBQSZCL-UHFFFAOYSA-N 348.834 4.445 0 50 EIAA Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc[nH]1 15073766 BEPARHBMLVMSSX-OAQYLSRUSA-N 346.409 4.178 0 50 EIAA CCCc1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cs1 17068624 FDRPFOLHDAZBLP-GFCCVEGCSA-N 333.453 4.209 0 50 EIAA COc1ccc(-c2nc3c(C)cccc3cc2CN(C)C)cc1OC 72425441 PRZNTZICOZXAIW-UHFFFAOYSA-N 336.435 4.289 0 50 EIAA CC1(C)[C@H]2CCCC[C@H]2[C@@H]1NC1CCN(C(=O)C2CCCCC2)CC1 121908138 REQHQYJJNXKOHS-AABGKKOBSA-N 346.559 4.362 0 50 EIAA O=c1[nH]c(/C=C/c2ccc(-c3ccccc3Cl)o2)nc2cnccc12 151493228 RZAMGNYPTNJMMR-SOFGYWHQSA-N 349.777 4.402 0 50 EIAA C[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 152084123 YQXGPJZCNVPVFB-HGFRQNNFSA-N 333.497 4.110 0 50 EIAA CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 229770458 CGFQQSYIJYZPHN-VWPQPMDRSA-N 342.442 4.433 0 50 EIAA O=C(Nc1ccc(-c2ccco2)cc1F)N[C@H]1CCO[C@@H](C2CC2)C1 253432003 ILWULWURFSINEV-KBXCAEBGSA-N 344.386 4.165 0 50 EIAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc(Cl)c[nH]1 367326194 UHYWAFBBVIQAHY-UHFFFAOYSA-N 329.762 4.430 0 50 EIAA CSc1cccc(NC(=O)[C@H](C)N2CCCc3ccccc3C2)c1 498928067 HYVYKPPTTJHWEL-HNNXBMFYSA-N 340.492 4.184 0 50 EIAA CCC[C@H]1CCCN1C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 534584159 MZMOHYDAMGRIFS-INIZCTEOSA-N 343.858 4.389 0 50 EIAA CC(C)n1ncc2c1C[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)CC2 657990709 VTLQDTRPAQHIDJ-WFASDCNBSA-N 334.414 4.005 0 50 EIAA CC(=O)c1cc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)cs1 670459213 CGSQGEKXXSNSSJ-IBGZPJMESA-N 327.449 4.048 0 50 EIAA NC(=S)Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 675030650 CGXMSDSVBYSPOV-UHFFFAOYSA-N 327.236 4.228 0 50 EIAA Cc1ccc([C@H](C)[C@H](O)c2nc(Cc3c(F)cccc3F)no2)cc1 895993872 JEVYCIKGTFRNKG-SGTLLEGYSA-N 344.361 4.084 0 50 EIAA Cc1c(-c2nnc(-c3sc4ccccc4c3Cl)o2)cnn1C 1345792004 HFBUKFBKLWVEHB-UHFFFAOYSA-N 330.800 4.314 0 50 EIAA C[C@@H](C[C@@H]1CCOC1)Sc1nnc(-c2c[nH]c3ccccc23)o1 1775990176 DDNPIZIDIFLPIJ-RYUDHWBXSA-N 329.425 4.125 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@H](Cc1ccccc1C)C1CC1 2325841305 NSCNDRLVIRJWPJ-WMZHIEFXSA-N 337.507 4.065 0 50 EIAA Cc1ccc(O)c(Nc2ncnc3ccc(Br)cc23)c1 132600 UZRJMEOLEARTEY-UHFFFAOYSA-N 330.185 4.150 0 50 EIAA CC1=CC(C)(C)N(C(=O)CSc2nnc(C)s2)c2ccccc21 302942 SDNQPTFNMRJBPB-UHFFFAOYSA-N 345.493 4.167 0 50 EIAA COc1ccccc1/C=C/C(=O)NCC1(c2ccccc2)CCCC1 310575 JRUYRVOOZSETQC-BUHFOSPRSA-N 335.447 4.337 0 50 EIAA Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Br 364659 VQHOTITYBPYLLP-LBPRGKRZSA-N 334.213 4.164 0 50 EIAA COc1cccc(C(=O)N2Cc3ccccc3-c3ccccc3C2=O)c1 437894 JHDZLYYTJSJWII-UHFFFAOYSA-N 343.382 4.158 0 50 EIAA Cc1ccc(C)c(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 1438719 BKVFUDJQIZFOLQ-UHFFFAOYSA-N 347.340 4.311 0 50 EIAA CCCN(CCC)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 2871610 FNPLGUOFZNEWCZ-UHFFFAOYSA-N 340.492 4.490 0 50 EIAA CC(C)CC(=O)N[C@@H](OCc1ccccc1)C(Cl)(Cl)Cl 3012406 JRDNFZLAYGKQNE-ZDUSSCGKSA-N 338.662 4.062 0 50 EIAA Cc1ccc(SCCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4592732 ISOIFTSAZPPBET-UHFFFAOYSA-N 344.524 4.355 0 50 EIAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O 8860449 UVZBUUTTYHTDRR-NSEFZGNTSA-N 336.472 4.158 0 50 EIAA in-vitro Cc1c(Cl)ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)c1C 20167181 PSYQTMZSCPLXOX-KBPBESRZSA-N 325.880 4.225 0 50 EIAA O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccccc3)cc(C(F)F)c12 20603593 JSWMKDHYYMJMSR-UHFFFAOYSA-N 345.374 4.394 0 50 EIAA O=C(Nc1nnc(C2CCC2)s1)N1CCCC[C@@H]1c1nccs1 23251109 HKDDZFAPTHGCQK-LLVKDONJSA-N 349.485 4.021 0 50 EIAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 33086826 VJBPFXDNOAFDSD-HQHQJUQOSA-N 342.483 4.425 0 50 EIAA C[C@H](CO)CN(Cc1ccccc1)Cc1c(Cl)cncc1Cl 55131374 BKKFUAHCNZHVTP-ZDUSSCGKSA-N 339.266 4.019 0 50 EIAA CN(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 136173564 LBAXGQZDCKHMBQ-UHFFFAOYSA-N 336.357 4.166 0 50 EIAA CC(C)(C)c1cnc(CNC(=O)N[C@@H]2CC(C)(C)c3ccccc32)o1 151328521 BEWPXLODUAUTLE-OAHLLOKOSA-N 341.455 4.194 0 50 EIAA COc1ccc(NC(=O)OC(C)(C)C)c(NCc2cscn2)c1 227587633 PZXRCBSEDQYPHX-UHFFFAOYSA-N 335.429 4.111 0 50 EIAA CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H]2c2cccs2)c1C 252444301 XIIZHANUUHWHCE-ZFWWWQNUSA-N 344.480 4.304 0 50 EIAA CN(CCCOCc1ccccc1)C(=O)Nc1c(F)cccc1F 253425930 FGSNOXNJQCOMTQ-UHFFFAOYSA-N 334.366 4.035 0 50 EIAA C[C@@H]1CCCN(C(=O)c2cc(Cc3cccc4ccccc34)no2)C1 299758589 JRRSSFOEWXDHGB-OAHLLOKOSA-N 334.419 4.291 0 50 EIAA O=C(c1cnc2c(F)cccc2c1)N1CCC[C@H](c2ccccc2)C1 348881680 RCVWXYZQOGXHNF-KRWDZBQOSA-N 334.394 4.394 0 50 EIAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)(C)c1cccnc1 350520628 SSQUIUVNLUXQST-UHFFFAOYSA-N 336.357 4.037 0 50 EIAA COc1ccc(CNc2cc(NC(=O)N(C)C)ccc2C)cc1Cl 408515517 NKBMFTUPNBNWMF-UHFFFAOYSA-N 347.846 4.363 0 50 EIAA Cc1ccc([C@@]2(C)CC(C)(C)N3C(=O)C(=O)c4cc(C)cc2c43)cc1 1738810535 KNCBTDVBPNKTBH-JOCHJYFZSA-N 333.431 4.321 0 50 EIAA CN(C)Cc1ccc(Cn2ccnc2-c2c(F)cccc2Cl)cc1 1857701402 UIROWCGVXHIFAY-UHFFFAOYSA-N 343.833 4.453 0 50 EIAA O=C(Nc1ccccc1Br)c1ccc(OC(F)F)cc1 137060 DQIKVKWXMJODEM-UHFFFAOYSA-N 342.139 4.303 0 50 EIAA O=C(OCc1ccc(F)cc1F)c1cccc(Br)c1 273341 ODHUVQQKFWNGPZ-UHFFFAOYSA-N 327.124 4.084 0 50 EIAA CC[C@@H](Sc1nccn1C)C(=O)Nc1cccc2ccccc12 444137 BCHWASJQXLXOIW-MRXNPFEDSA-N 325.437 4.083 0 50 EIAA Cc1ccccc1NC(=S)NC(=O)Cc1cccc2ccccc12 614553 OCYVUXNMZWUGRU-UHFFFAOYSA-N 334.444 4.204 0 50 EIAA CCCCNC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1775929 XMEAYOOCMONCHW-ACCUITESSA-N 339.435 4.204 0 50 EIAA Cc1cc(OCCCn2cnc3ccccc3c2=O)ccc1C(C)C 3003741 ALEOGOIJJJSOCG-UHFFFAOYSA-N 336.435 4.297 0 50 EIAA CCc1noc(C)c1C(=O)Nc1ccc(OCc2ccccc2)cc1 7910902 QIPPFVUMISSFKU-UHFFFAOYSA-N 336.391 4.377 0 50 EIAA COc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)c(OC)c1 8162769 BXFHCERRUADVMS-UHFFFAOYSA-N 349.312 4.409 0 50 EIAA CCOc1ccc(OCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 12949522 IJOIACCXGSKVRI-UHFFFAOYSA-N 348.402 4.312 0 50 EIAA Cc1ccccc1NC(=S)Nc1ccn(Cc2ccc(F)cc2)n1 13330876 YEXRKMFDOKBXOD-UHFFFAOYSA-N 340.427 4.188 0 50 EIAA Cc1ccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)o1 15073230 DXDXLCUAZPRURO-SFHVURJKSA-N 341.451 4.470 0 50 EIAA c1ccc(CN2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 22576452 VMINCUMTJOZUCW-UHFFFAOYSA-N 346.474 4.036 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2ccnc2)cc1 38834733 DJVFHAUSQRUJIU-UHFFFAOYSA-N 345.324 4.203 0 50 EIAA Cc1nc(N(CCCO)Cc2ccc(Cl)cc2)c2ccsc2n1 55360898 BYZMNHAIBSNKLP-UHFFFAOYSA-N 347.871 4.042 0 50 EIAA CCOC(=O)c1ccc(-c2ccc(C(=O)OCC)cc2C)c(C)c1 85483178 NQAJKEFVVKYKNC-UHFFFAOYSA-N 326.392 4.324 0 50 EIAA in-vitro Cc1nc([C@H](C)N(C)C(=O)c2cc3cccc(C)c3n2C)c(C)s1 95352305 AVAXYDUCBSZMIR-LBPRGKRZSA-N 341.480 4.393 0 50 EIAA Cc1cc(C)n(-c2cccc(NC(=O)C[C@H](C)c3ccncc3)c2)n1 130436426 AUBOLBBPFLKQAQ-AWEZNQCLSA-N 334.423 4.016 0 50 EIAA O=Cc1cccc(OCCCOCc2ccccc2)c1Br 143627863 ACKWKYYUKPPHQC-UHFFFAOYSA-N 349.224 4.247 0 50 EIAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(Cl)c1Cl 247800297 VAACTTPNVPNLFH-OLZOCXBDSA-N 341.282 4.444 0 50 EIAA CN(C(=O)CCc1cccs1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273295137 LTEKCGOCSZNKCN-AEFFLSMTSA-N 347.455 4.199 0 50 EIAA O=C(Nc1ccc(Cl)c2ccccc12)N1CCC2(CCO2)CC1 299770572 WOYRWXIOEFUVMF-UHFFFAOYSA-N 330.815 4.280 0 50 EIAA C1CCN2C[C@H](c3noc([C@H]4CCC[C@H]5CCCC[C@@H]45)n3)OC[C@@H]2C1 329638552 YUNKDNANHSCCNZ-MDMSPXHWSA-N 345.487 4.069 0 50 EIAA CCCN1C(=O)c2ccccc2[C@H]1c1c(N(C)C)n(C)c2ccccc12 334163444 SIYHDPXATVHDRM-FQEVSTJZSA-N 347.462 4.200 0 50 EIAA CC1(C)OB(c2ccc(OCc3ccc(Cl)cc3)cc2)OC1(C)C 380344028 FTTKQLAQNPVBHW-UHFFFAOYSA-N 344.647 4.218 0 50 EIAA COCC[C@H]1CCCCN1C(=O)NCc1cccc(Cl)c1Cl 534591490 SXBSAQNHOHWTBW-CYBMUJFWSA-N 345.270 4.094 0 50 EIAA Fc1ccc2c(C3CCN(c4ccnc(Cl)c4)CC3)noc2c1 811848361 BDZIWUNTYNBBKI-UHFFFAOYSA-N 331.778 4.399 0 50 EIAA COc1ccc2c(c1)CCCN(C(=O)N[C@H](C)c1cc(C)oc1C)C2 1318491532 ZWVAIBFSHKSTRF-CQSZACIVSA-N 342.439 4.124 0 50 EIAA N[C@@H]1CCCc2cc(-c3nc(Cc4ccc5c(c4)CCC5)no3)ccc21 2325821806 BXLHCSSBVWPZRW-HXUWFJFHSA-N 345.446 4.152 0 50 EIAA CSc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)c1 133902 YCOHOJMPTRFHQR-UHFFFAOYSA-N 334.828 4.273 0 50 EIAA COc1ccc2occ(C(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2c1 264996 ZEGLHSNPAGYFFW-UHFFFAOYSA-N 336.387 4.330 0 50 EIAA COc1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1Cl 445228 DQSNGAVKPWRBCP-VQHVLOKHSA-N 336.218 4.332 0 50 EIAA C[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(F)cc2)s1 451952 TYHYUGGUMZMIOG-LLVKDONJSA-N 342.399 4.473 0 50 EIAA Cc1cccc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)c1 2800532 YFDJZIJWJKYJBH-UHFFFAOYSA-N 334.347 4.458 0 50 EIAA Cc1cccc(CSCCNC(=O)CSCc2ccccc2)c1 2990790 YAFFABOPODYPKB-UHFFFAOYSA-N 345.533 4.278 0 50 EIAA CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O 3948738 HYHMLYSLQUKXKP-UHFFFAOYSA-N 344.492 4.470 0 50 EIAA investigational COc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1OC 4139500 GRSLWTICOZDPPC-UHFFFAOYSA-N 327.409 4.274 0 50 EIAA COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@@]2(C)C1=CC[C@@H]2OC(C)=O 4821182 LRTUTQVESNZNCY-SIJSFFJVSA-N 340.419 4.292 0 50 EIAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccccc1Cl 10155758 VINNOXVOLIBVHY-ZDUSSCGKSA-N 331.799 4.150 0 50 EIAA Cc1ccc(Oc2ncc(Br)cn2)c(Br)c1 16696645 BNYGLIORSSWISH-UHFFFAOYSA-N 344.006 4.102 0 50 EIAA in-vitro C[C@H](NC(=O)c1ccccc1OC(F)F)c1cccc(F)c1F 155838438 YJFAXJRRAFGHEV-VIFPVBQESA-N 327.277 4.057 0 50 EIAA Cc1ccc(OCCC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c(C)c1 170594669 KZWADBPSBYWHMG-LPHOPBHVSA-N 338.451 4.077 0 50 EIAA CC(=O)c1ccc(NC(=O)CCN2CCC[C@@H]2c2ccccc2)cc1 170624921 BRDSFTLHQIRNKE-HXUWFJFHSA-N 336.435 4.055 0 50 EIAA O=C(N[C@H]1CCCOc2ccccc21)N1CCC[C@]2(CC=CCC2)C1 170626928 ZPXKPVZRUPWLKM-GHTZIAJQSA-N 340.467 4.432 0 50 EIAA CCCOc1ccccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1 177181199 VGTZRKZABZJBQB-QGZVFWFLSA-N 346.452 4.142 0 50 EIAA CC(C)[C@H](CNC(=O)Nc1ccc2sncc2c1)c1cccnc1 194293793 PFBNKZRSJITECZ-INIZCTEOSA-N 340.452 4.253 0 50 EIAA Cc1nc(CCN(CCCO)Cc2cccc3ccccc23)cs1 244840235 UJKQSNOAAMYPFE-UHFFFAOYSA-N 340.492 4.032 0 50 EIAA Oc1nc([C@H](F)c2ccc(C(F)(F)F)cc2)nc2ccsc12 253535066 CIRSXJYEJGVAJR-SNVBAGLBSA-N 328.290 4.475 0 50 EIAA COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)c1oc(C)nc1C 288888877 RGSJZCAWFXKGMR-MLGOLLRUSA-N 328.412 4.056 0 50 EIAA CCCC[C@@H]1C=CCN1C(=O)Nc1ccc(-c2nnc(C)o2)cc1 426533753 HCYYLPFLHKOKIX-MRXNPFEDSA-N 326.400 4.008 0 50 EIAA O=C(Nc1ccc(-c2ncco2)cc1)C1([C@H]2CCCCO2)CCC1 867124318 KXIMIIRXISLSMD-MRXNPFEDSA-N 326.396 4.020 0 50 EIAA O=C(c1ccc(C2=CCCC2)cc1)N1CCC(Nc2ccccn2)CC1 927075962 PUGQKIDRSRAWSM-UHFFFAOYSA-N 347.462 4.366 0 50 EIAA CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1OC 931672088 AKRQPWWPLXXQGI-GOSISDBHSA-N 340.423 4.332 0 50 EIAA O=c1c(-c2cccs2)c(O)[nH]c2ccc(-c3cccc(CO)c3)cc12 2100537953 YNBQRRPDHZDSHJ-UHFFFAOYSA-N 349.411 4.122 0 50 EIAA CC[C@H](c1ccc(S(=O)(=O)O)cc1)[C@@H](CC)c1ccc(O)cc1 2299912212 KESPDISUXFUMBI-ZWKOTPCHSA-N 334.437 4.326 0 50 EIAA COc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC 79883 NLIUUSGAAIVMFJ-INIZCTEOSA-N 333.387 4.331 0 50 EIAA Cc1ccc(Nc2nc(Cl)nc(NCc3ccccc3)n2)cc1 185821 JRNSQORPHMGSLJ-UHFFFAOYSA-N 325.803 4.189 0 50 EIAA biogenic C[C@H](Cc1ccccc1F)NC1CCN(Cc2ccccc2)CC1 212525 USSRJIISWXGUKV-QGZVFWFLSA-N 326.459 4.011 0 50 EIAA O=C1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C2(CCCCC2)O1 309894 TZZSAZSJGUSFKK-NSHDSACASA-N 342.222 4.198 0 50 EIAA COc1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1 433000 GQOZVJOZYHYINO-UHFFFAOYSA-N 348.402 4.456 0 50 EIAA COC(=O)c1sccc1NC(=O)c1c(Cl)cccc1Cl 434019 QRDQRRILVHJBQB-UHFFFAOYSA-N 330.192 4.094 0 50 EIAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1 2871546 XPWHEXNKJNHRJJ-GOSISDBHSA-N 345.442 4.480 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 2981970 YKMORZBLUUUOSS-UHFFFAOYSA-N 330.428 4.295 0 50 EIAA CCCSc1ncc(Cl)c(C(=O)Nc2ccc(F)cc2)n1 4821071 GPMURYDHKWYZRG-UHFFFAOYSA-N 325.796 4.024 0 50 EIAA CCOc1ccccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 4841664 LWQSZXXMIUREJB-UHFFFAOYSA-N 340.423 4.322 0 50 EIAA COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(C)cc12 6279205 UWWOSCTVOWASPK-UHFFFAOYSA-N 337.375 4.014 0 50 EIAA CC(=O)c1cccc(NC(=S)NCCCCc2ccccc2)c1 8682707 ZFLRRPBWUZPYEC-UHFFFAOYSA-N 326.465 4.199 0 50 EIAA COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1 9341793 GZZSDOSAQLDACP-UHFFFAOYSA-N 333.391 4.144 0 50 EIAA CC(C)OC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1 10778643 BMMFSILNBTXBCE-UHFFFAOYSA-N 337.828 4.148 0 50 EIAA CSC[C@H](C)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 11790001 DKGIOCKCPIYTJM-HNNXBMFYSA-N 329.513 4.316 0 50 EIAA COc1cccc([C@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1 12383781 QEJKVYAELWDUJO-VIFPVBQESA-N 325.742 4.118 0 50 EIAA COc1cccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 12457899 PTTVNFBUYDNYSE-AWEZNQCLSA-N 339.414 4.179 0 50 EIAA CC(C)C[C@@H](O)c1ccc2c(c1)CN(Cc1cccs1)CCO2 14881235 RETWVTQFLFILQV-GOSISDBHSA-N 331.481 4.222 0 50 EIAA CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(C)(C)C)c(Cl)n1 35270494 GMQIMSAHJLTCOX-UHFFFAOYSA-N 327.812 4.067 0 50 EIAA in-vitro CCN(Cc1cc(Cl)ccc1OC)C(=O)C1(c2ccccc2)CC1 55120319 DFGGAKKFOGYUJH-UHFFFAOYSA-N 343.854 4.429 0 50 EIAA Cc1ccc(N[C@](C)(C(=O)NCc2ccccn2)c2ccccc2)cc1 55226208 ZRQPYCYOKNTTIC-QFIPXVFZSA-N 345.446 4.034 0 50 EIAA CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(CC)no1 64985084 WXNUTMAYTHILQV-OAHLLOKOSA-N 329.400 4.005 0 50 EIAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCc1cccs1 77379004 RGUHHXXXTYINAU-HNNXBMFYSA-N 343.448 4.104 0 50 EIAA Cc1cccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)c1 169776327 WRDWHVYPUVRHAJ-UHFFFAOYSA-N 343.390 4.114 0 50 EIAA C[C@H](CO)CN(Cc1ccccc1)Cc1cc(C2CCCCC2)no1 252491943 MABQOHKMIVRYPL-KRWDZBQOSA-N 342.483 4.353 0 50 EIAA CN(C(=O)CCc1cccs1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273295148 LTEKCGOCSZNKCN-SJLPKXTDSA-N 347.455 4.199 0 50 EIAA Cc1cc2occ(CC(=O)N(C)C[C@@H]3CCCCO3)c2c(C)c1Cl 299772962 CCYIZKHVNREKPL-HNNXBMFYSA-N 349.858 4.273 0 50 EIAA Cc1c(NC[C@H]2CCO[C@@H](C)C2)cccc1NC(=O)c1ccccc1 408514804 JVMHRFHDDSAEKZ-RDJZCZTQSA-N 338.451 4.474 0 50 EIAA CCOC(=O)N[C@H](Cc1ccccc1)c1csc([C@H]2CCCO2)n1 408523968 OYVVJWLDHGYDKG-GDBMZVCRSA-N 346.452 4.025 0 50 EIAA COC[C@H](C)N(Cc1ccccc1C)C(=O)c1cccn1C(C)C 952967572 BUEIZCCBGCHPFH-KRWDZBQOSA-N 328.456 4.055 0 50 EIAA Cc1ccc2c(c1)c1c3n2CC(=O)N(Cc2ccccc2)[C@H]3CCC1 36999 BTMBHMLYKYNQTE-FQEVSTJZSA-N 330.431 4.370 0 50 EIAA C[C@@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 319313 ABTVTSYAKHYCEF-INIZCTEOSA-N 342.870 4.182 0 50 EIAA Cc1c(OCC(=O)C(C)(C)C)ccc2c3c(c(=O)oc12)CCCCC3 462940 OGWDBZBCHYZEMO-UHFFFAOYSA-N 342.435 4.364 0 50 EIAA c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1 967524 LUAZZOXZPVVGSO-UHFFFAOYSA-N 338.454 4.025 0 50 EIAA in-vitro COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)c1 2458855 HFTRAKLGQHUFCD-UHFFFAOYSA-N 349.312 4.376 0 50 EIAA CCCCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1 2870306 CVKPRILDEIDMHN-UHFFFAOYSA-N 341.451 4.291 0 50 EIAA biogenic CCN(CC)CCn1c(-c2ccccc2)cn2c3ccccc3nc12 4793246 FYCHAUWGZCSFGR-UHFFFAOYSA-N 332.451 4.298 0 50 EIAA Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 4834365 KLOMBRLHPDMKLW-ZDUSSCGKSA-N 348.240 4.472 0 50 EIAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1cccc(Cl)c1 10156020 NRHVTJLIADHLMQ-HNNXBMFYSA-N 331.799 4.150 0 50 EIAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C2CCCC2)cc1C 12595454 BRXPPKXDRLJCSG-IBGZPJMESA-N 337.467 4.173 0 50 EIAA O=C(C[C@@H](c1cccc(O)c1)c1ccccc1Cl)N1CCCCO1 15063264 NNYYXJRQBHLXIO-KRWDZBQOSA-N 345.826 4.122 0 50 EIAA O=C(Cc1noc(/C=C/c2ccccc2)n1)Nc1ccccc1Cl 16577553 RUTLRPLIEHBRSU-ZHACJKMWSA-N 339.782 4.075 0 50 EIAA Cc1cc(C)c(NC(=O)c2ccc(CN3CCC[C@@H]3C)cc2)c(C)n1 65406505 ARYQMEASKUQLJF-INIZCTEOSA-N 337.467 4.243 0 50 EIAA Cc1cncc(NC(=O)c2cccc(CN(C)[C@@H](C)c3ccco3)c2)c1 67818937 BBBCOMKWAHHSGA-INIZCTEOSA-N 349.434 4.428 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3ccn(C)n3)oc2c1 91943826 CJGARUOUFVYFBD-KRWDZBQOSA-N 337.423 4.151 0 50 EIAA CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2Cl)CC1 165668198 WNWZDFQEZBGBNM-UHFFFAOYSA-N 329.799 4.257 0 50 EIAA CC(C)OC(=O)O[C@@H](C)Sc1ncnc2sc3c(c12)CCC3 170652031 XLMCRVQTDRZVIH-SECBINFHSA-N 338.454 4.180 0 50 EIAA O=C(CCc1ccc(O)cc1)N1CCC[C@H](c2ccc(Cl)cc2)C1 299786184 WFJCRFXPNUSSOO-KRWDZBQOSA-N 343.854 4.384 0 50 EIAA Cc1cc(C)c(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c(C)n1 332034469 KHQUXELICPYJTB-MRXNPFEDSA-N 329.831 4.469 0 50 EIAA CCOCC1(CNC(=O)c2ccc(-c3cc(F)cc(F)c3)cc2)CC1 426412864 ZKYZGYMBTKNODO-UHFFFAOYSA-N 345.389 4.178 0 50 EIAA COc1ccccc1NC(=O)c1c(Cl)ccc(Cl)c1OC 94854 GWNUJZIEZHOWJW-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccc(C)c(N2CCN([C@H](C)CCc3ccc(O)cc3)CC2)c1 280438 CSKFLVUELGEZKB-LJQANCHMSA-N 338.495 4.152 0 50 EIAA O=C(O)Cc1cc(Cl)c2oc(-c3ccc(Cl)cc3)cc(=O)c2c1 395718 JSAPPUHGWVDQMV-UHFFFAOYSA-N 349.169 4.394 0 50 EIAA C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)[C@@H]1CCCO1 477180 QKVDQSBBZZFHKS-VFNWGFHPSA-N 346.430 4.199 0 50 EIAA COc1ccc(C(=O)Nc2ccccc2Br)cc1Cl 514158 GPSHFOIJHXCVOD-UHFFFAOYSA-N 340.604 4.363 0 50 EIAA Cc1cccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 528274 FXJHHMOBTLHSAI-UHFFFAOYSA-N 338.451 4.249 0 50 EIAA Clc1ccccc1OCc1nn2c(-c3ccccc3)nnc2s1 613009 JYDAGUJVXNHVRQ-UHFFFAOYSA-N 342.811 4.085 0 50 EIAA O=C(CCSc1ccc2ccccc2n1)NCCc1ccccc1 2829047 AROBIVJUSFUVTB-UHFFFAOYSA-N 336.460 4.076 0 50 EIAA COCCSc1ccccc1C(=O)Nc1nc2ccccc2s1 2865271 RJUBZFTTYGAEOV-UHFFFAOYSA-N 344.461 4.287 0 50 EIAA CCOc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1OC 2883371 WQGIISNTAWIBMH-UHFFFAOYSA-N 330.771 4.464 0 50 EIAA C[C@@H](SCc1ccccc1)C(=O)NCCSc1ccccc1 2979916 IZUSJUWWTPUXRU-OAHLLOKOSA-N 331.506 4.217 0 50 EIAA COc1cc(CNCc2cccc3ccccc23)cc(OC)c1OC 5005701 LDGLROHFOYNQJH-UHFFFAOYSA-N 337.419 4.155 0 50 EIAA O=C(O)c1cccc2cccc(S[C@H](C(=O)O)c3ccccc3)c12 5048013 QLPGTEJBJMAWBB-KRWDZBQOSA-N 338.384 4.456 0 50 EIAA CCOc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19832116 GOUVESUKUIOUEF-UHFFFAOYSA-N 344.886 4.057 0 50 EIAA Cc1c(O)cccc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 71751934 SPEGPLGOEQVDPJ-MRXNPFEDSA-N 341.426 4.325 0 50 EIAA CC(=O)NCC[C@H]1CCCCN1Cc1ccccc1-c1ccccc1 72143486 WLRPDDANSNLCGK-OAQYLSRUSA-N 336.479 4.234 0 50 EIAA Cc1ncc(C(=O)N2CCC(Sc3ccccc3C)CC2)s1 77380463 WXVGLQLRCKCEMQ-UHFFFAOYSA-N 332.494 4.157 0 50 EIAA Cc1cc2cccc(C(=O)N3CCCC[C@H]3CCn3cccn3)c2o1 82138797 YPGJESHESGCEOP-KRWDZBQOSA-N 337.423 4.023 0 50 EIAA Cc1ccc(C)c([C@H](c2cccnc2)n2cc(-c3nccs3)nn2)c1 95358082 ZIAQVLSQWHNOCG-SFHVURJKSA-N 347.447 4.051 0 50 EIAA CC(C)c1nc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cs1 164502898 PLIHVRSUWLYXMP-HOCLYGCPSA-N 348.512 4.411 0 50 EIAA Cc1ccc(CNCc2ccc(F)c(Br)c2)cc1F 237747613 SIVNTRFNXKUYLU-UHFFFAOYSA-N 326.184 4.326 0 50 EIAA Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 239203186 RXQLTHXVGBGSQG-IQGAEYHTSA-N 347.414 4.323 0 50 EIAA Cc1noc(C)c1CN(C)C(=O)[C@@]1(c2ccccc2)CC12CCCC2 244685550 ISEBQSFBFMEZHN-NRFANRHFSA-N 338.451 4.152 0 50 EIAA CNC(=O)c1ccc(CN2CCCCC[C@H]2c2cccc(F)c2)cc1 244893036 YUCOABVAUCZEJR-FQEVSTJZSA-N 340.442 4.303 0 50 EIAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(O)C(C)=O)[C@]2(C)CC1 257355395 AMLZABRDYNLKCX-FTMCFMMZSA-N 344.495 4.410 0 50 EIAA CC(C)c1noc([C@H](N[C@H]2CCC[C@H](C3CC3)C2)C2CCOCC2)n1 328635720 UXQZEDMNBRUBNE-OKZBNKHCSA-N 347.503 4.219 0 50 EIAA CCn1cc(-c2cccc(C(=O)NC3(c4ccccc4C)CC3)c2)cn1 426478945 NQCXYLGYKODHIA-UHFFFAOYSA-N 345.446 4.298 0 50 EIAA CCCN(C(=O)c1cccc2cccnc12)C1Cc2ccccc2C1 426661148 AOKOVRNGIKGHAI-UHFFFAOYSA-N 330.431 4.254 0 50 EIAA CC[C@@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1ccnn1C 534676284 OBJWISWSVKCINI-MRXNPFEDSA-N 346.500 4.087 0 50 EIAA CC(C)n1ncc2c1C[C@@H](N[C@@H](C)c1cc3ccncc3s1)CC2 657990686 VRIYUYAGCWLRRT-BBRMVZONSA-N 340.496 4.282 0 50 EIAA CCN1CCC[C@H](n2ccnc2-c2ccc3cc(Cl)ccc3n2)C1 1857678034 REORZYVKSXIKBU-INIZCTEOSA-N 340.858 4.409 0 50 EIAA O=C(NCc1ccc(C2CC2)c(F)c1)c1c[nH]nc1-c1ccsc1 1875348886 GFWMMLYMQZKEKF-UHFFFAOYSA-N 341.411 4.085 0 50 EIAA CC(C)[C@@H]1CN(C(=O)Nc2ccnn2[C@@H]2CC2(F)F)c2ccccc21 1875407852 IZRCBCBPRHUBDZ-DZGCQCFKSA-N 346.381 4.255 0 50 EIAA Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)C=CS1 314414 NZBLEWUCLAJCPX-CYBMUJFWSA-N 326.446 4.284 0 50 EIAA CN(c1ncnc2c1cnn2-c1ccc(Cl)cc1)C1CCCCC1 426413 VZHGIOGHAIPPGW-UHFFFAOYSA-N 341.846 4.238 0 50 EIAA COc1cc(NC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1 471748 IEDJAWDNQGAILD-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccc(F)cc1 499331 WWGPTHOMFHDEEC-UHFFFAOYSA-N 347.802 4.492 0 50 EIAA in-vivo COc1ccc(OC)c(NC(=S)Nc2ccc(F)c(Cl)c2)c1 613020 FSZIZDJNVRATMG-UHFFFAOYSA-N 340.807 4.305 0 50 EIAA O=C(Cc1ccccc1)NN1c2ccccc2C[C@@H]1c1ccccc1 1287967 YCKLMGRILCWRKN-OAQYLSRUSA-N 328.415 4.064 0 50 EIAA biogenic Cc1cc(C)n(C[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 8714385 PZQHZKVCNLUEPC-SECBINFHSA-N 326.227 4.082 0 50 EIAA CC(C)c1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 16652073 HSZVHSVKUHHYJZ-UHFFFAOYSA-N 330.472 4.033 0 50 EIAA Cc1nsc(NC(=O)N(C)[C@@H](CCC(C)C)c2ccccc2)n1 55357809 ZSMMTFRYJUXBNH-HNNXBMFYSA-N 332.473 4.488 0 50 EIAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2C)C1 95352052 QVTBZXXLMRMQNF-QGZVFWFLSA-N 340.471 4.403 0 50 EIAA O=C(Nc1ccc(Cl)c2ncccc12)N1C[C@H]2CC=CC[C@H]2C1 97694858 OEVWRKTZQKTVAK-BETUJISGSA-N 327.815 4.318 0 50 EIAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(C)c(C)c3)c2c1 170594098 DZLHNPQLGRZTNH-IBGZPJMESA-N 333.435 4.465 0 50 EIAA CC(C)(O)[C@@H]1CCCN1Cc1csc(-c2ccc(Cl)cc2)n1 179429883 XIZFMGDWLKYTLY-HNNXBMFYSA-N 336.888 4.199 0 50 EIAA O=C(Cc1c[nH]c2ccccc12)Nc1ccc2[nH]c(C(F)F)nc2c1 179828136 XAKIQCMHCFBKOM-UHFFFAOYSA-N 340.333 4.163 0 50 EIAA c1cc(-c2ccc(CN3CCCC[C@@H]3c3nccs3)s2)[nH]n1 215392929 ZZMRREJSYBHNBO-CQSZACIVSA-N 330.482 4.322 0 50 EIAA CC(C)=CCC/C(C)=C/CN1CCCn2nc([C@H](O)C3CC3)cc2C1 219018016 RBEWMZCBLKEWJC-AKCCUMBPSA-N 343.515 4.225 0 50 EIAA CC(C)[C@H](C(=O)NC[C@H](C)Sc1ccccc1)c1ccncc1 225749405 CNHFHXXIQKDOJJ-YJBOKZPZSA-N 328.481 4.118 0 50 EIAA COc1ccc(OC)c(C(=O)N2CCC[C@H](c3ccccc3C)C2)c1 252481502 CNEIDPPMHMLPSV-INIZCTEOSA-N 339.435 4.032 0 50 EIAA CC[C@@H](NC(=O)c1ccc(-c2c(C)n[nH]c2C)cc1)c1ncccc1C 426411264 HPEYKGYJCTYBRE-GOSISDBHSA-N 348.450 4.278 0 50 EIAA Cc1ccnc(CNC(=O)N2CCCC[C@H]2CCc2ccccc2)c1 458837313 WVKXBXXSSORUSS-FQEVSTJZSA-N 337.467 4.087 0 50 EIAA Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(Cl)c2occc12 935043901 UWUZMYPZBWMXOE-SECBINFHSA-N 332.787 4.225 0 50 EIAA C[C@@H](c1ccccc1)[C@H](O)CN1CC=C(c2c[nH]c3ccccc23)CC1 1460829385 FCXGQEUOSBUZGM-GAJHUEQPSA-N 346.474 4.422 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(c3cc(C)c4ccc(F)cc4n3)C[C@@H]21 1704336747 OCFBQEGEMOMOHM-CFLQYTFWSA-N 328.431 4.060 0 50 EIAA C[C@@H]1CC[C@](C(=O)O)(n2cc(-c3ccccc3)cn2)Cc2ccccc21 1875332098 LSTFAVIECGJCQC-ZHRRBRCNSA-N 346.430 4.470 0 50 EIAA C[C@H](NCc1cccc2c1CCOC2)c1ccc(-c2cncnc2)cc1 2325761013 SNZCCRMRTZNPBE-INIZCTEOSA-N 345.446 4.067 0 50 EIAA Cc1c(NC(=O)c2ccc(-c3ccncc3)s2)cnn1C(C)(C)C 2325761959 JQUCGRPYGKJRKI-UHFFFAOYSA-N 340.452 4.322 0 50 EIAA COc1ccc(Cl)cc1C1=N/C(=C/c2ccccc2Cl)C(=O)O1 177663 JPEGVKFHECWWMJ-RIYZIHGNSA-N 348.185 4.347 0 50 EIAA O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C2(CCCCC2)O1 309535 DYDMGFKZIZDQDB-NSHDSACASA-N 342.222 4.198 0 50 EIAA COc1ccc(C)cc1NC(=O)/C=C/c1ccc(Br)cc1 476358 AHBYYAHHGRTMGB-UXBLZVDNSA-N 346.224 4.418 0 50 EIAA Cc1c(C)c2cc(Cl)c(OC(=O)c3cccs3)cc2oc1=O 858717 CQULJQUEONGJFV-UHFFFAOYSA-N 334.780 4.344 0 50 EIAA CCCCSc1nnc2c3c4c(sc3nc(C)n12)CCCC4 2997942 YICPRNZPCNJZGB-UHFFFAOYSA-N 332.498 4.418 0 50 EIAA O=C(NCCc1ccccc1)c1ccccc1-c1nc2ccccc2[nH]1 3876369 BPVQGXYOSGRJQB-UHFFFAOYSA-N 341.414 4.202 0 50 EIAA biogenic O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cnccn1 4672716 IHKRGDLDLHABQL-UHFFFAOYSA-N 332.388 4.006 0 50 EIAA Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1Cl 4680281 JBXXUDJZFURPFK-UHFFFAOYSA-N 330.815 4.495 0 50 EIAA Cc1ccccc1CSCc1nnc(S)n1-c1cccc(F)c1 6401710 QMLVRMYZOXUPDJ-UHFFFAOYSA-N 345.468 4.437 0 50 EIAA Cc1cccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 6729804 KLKHAAMUFZUFNM-UHFFFAOYSA-N 342.786 4.020 0 50 EIAA COc1ccc(NC(=O)c2ccccc2SC(C)C)c(OC)c1 8499956 RGPHONBSLPUHET-UHFFFAOYSA-N 331.437 4.457 0 50 EIAA CN(C)c1ncccc1CNCc1cccc(Oc2ccccc2)c1 12472039 BRASLIGBENQXIQ-UHFFFAOYSA-N 333.435 4.230 0 50 EIAA O=C(CCc1ccccc1)Nc1c(F)cc(F)cc1Br 13325659 XGGDMHUIHQGNCL-UHFFFAOYSA-N 340.167 4.299 0 50 EIAA c1ccc2[nH]c(SCCNC3C4CC5CC(C4)CC3C5)nc2c1 16310846 KROKALWEYNMIPX-UHFFFAOYSA-N 327.497 4.069 0 50 EIAA COc1ccccc1NC(=O)Nc1nnc(-c2ccc(C)cc2)s1 18067346 OFSUAKZXDDJGJO-UHFFFAOYSA-N 340.408 4.166 0 50 EIAA CCC(=O)Nc1ccc(C)cc1-c1cc(OC)c(OC)c(OC)c1 67558976 HQRMVBXPNSLEDF-UHFFFAOYSA-N 329.396 4.036 0 50 EIAA Cc1cc(C[C@H](C)n2cc(-c3ccccc3-c3ccco3)nn2)[nH]n1 91663092 ULGHNHHBPSTSQW-AWEZNQCLSA-N 333.395 4.040 0 50 EIAA CCCSc1ccccc1NC(=O)N[C@@H](C)Cc1ccncc1 96179518 LHNNRKSTXPUDQB-AWEZNQCLSA-N 329.469 4.336 0 50 EIAA O=C(C[C@@H]1OCCc2ccccc21)N(c1ccccn1)C1CCCC1 154726795 YVAGDCMKDUECPM-IBGZPJMESA-N 336.435 4.061 0 50 EIAA C1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CCCC1 169816424 MORWVAHYKDTLHG-UHFFFAOYSA-N 340.542 4.196 0 50 EIAA CC(=O)c1csc(C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)c1 170069977 PSKLMDZOHRIWCC-OAHLLOKOSA-N 345.468 4.048 0 50 EIAA COCCSc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2)cc1 170621193 XILKBZXKNUDKCV-INIZCTEOSA-N 343.492 4.153 0 50 EIAA CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCCOCC3)cc2s1 180449792 SYLSLVISKIZEOZ-GFCCVEGCSA-N 333.457 4.110 0 50 EIAA O=C(c1ccnc(C2CC2)c1)N1CCCC[C@H]1c1nc2ccccc2o1 329327241 JWXKJPMAJYWGCF-SFHVURJKSA-N 347.418 4.468 0 50 EIAA O=C(Nc1ccc(Nc2ncccn2)cc1)c1c(F)cccc1Cl 390835240 HKWCOFVTFCYIAF-UHFFFAOYSA-N 342.761 4.265 0 50 EIAA COC1(C(F)(F)F)CCN(C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 416271840 XYPLLPIJYWBNRM-QWHCGFSZSA-N 335.410 4.019 0 50 EIAA CC(C)(C)[C@H]1CN(C(=O)c2cc(O)nc(C3CC3)c2)c2ccccc21 470297230 IBENKKLTMCQDFH-INIZCTEOSA-N 336.435 4.455 0 50 EIAA COc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)n2C)cc1OC 834704655 AMCHETNFYLMRKT-AWEZNQCLSA-N 337.423 4.277 0 50 EIAA Cc1cc(C)cc(C2CCN(C(=O)c3nnc(C(C)(C)C)o3)CC2)c1 903046868 ZUKJZCYMXWXNAR-UHFFFAOYSA-N 341.455 4.004 0 50 EIAA Cc1ccc([C@@H](C)c2nc(-c3ccc(CC(C)C)nc3O)no2)o1 904232179 SRKQJYXZIGJOIW-GFCCVEGCSA-N 327.384 4.089 0 50 EIAA CC(C)(CNC(=O)NCc1cccc2[nH]ccc12)c1cccs1 1311969726 SYMRGKKXJSTDMN-UHFFFAOYSA-N 327.453 4.006 0 50 EIAA Cc1cc(F)cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c1 1875260763 ADFHLGXXSPJSBS-UHFFFAOYSA-N 338.382 4.070 0 50 EIAA Cc1nc2cc(Nc3cc(Oc4ccccc4)ncn3)ccc2n1C 1875309408 PFBCHUUNLCLRLY-UHFFFAOYSA-N 331.379 4.208 0 50 EIAA Cc1cncc(-c2cc(Cl)cc(C)c2OC2CCNCC2)c1C 1875329805 KBIHZYUFYRKRCW-UHFFFAOYSA-N 330.859 4.458 0 50 EIAA CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C 1875331274 BNLQGZVZNCOJKF-UHFFFAOYSA-N 332.831 4.404 0 50 EIAA CC(C)C[C@H]1CC[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 1875356129 GUIDYJZSMZZRNZ-GDBMZVCRSA-N 331.504 4.460 0 50 EIAA Cc1ccc(SCCn2c(=O)c3cncn3c3ccccc32)cc1C 2325855215 MRUYKDGBMSFPTL-UHFFFAOYSA-N 349.459 4.058 0 50 EIAA CCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 101855 LZWDAQVZAPNWLA-UHFFFAOYSA-N 330.236 4.357 0 50 EIAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 119709 FTNCGCKNCUXZGZ-JTQLQIEISA-N 340.206 4.408 0 50 EIAA CCOc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1OC 119810 GWQBTWYBJNEULK-PKNBQFBNSA-N 333.472 4.248 0 50 EIAA Cn1c([C@@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21 201101 LDEUBYHHIMLMQC-QGZVFWFLSA-N 335.451 4.019 0 50 EIAA COc1ccc(Cl)cc1NS(=O)(=O)c1c(C)cc(C)cc1C 211542 MWMBWJGMBMRZGL-UHFFFAOYSA-N 339.844 4.075 0 50 EIAA O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 528069 SGFLUBXYDRAHSF-UHFFFAOYSA-N 349.361 4.340 0 50 EIAA CCOc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 1232449 JKVZTIWSZPZDIB-MRXNPFEDSA-N 342.420 4.032 0 50 EIAA CN(C)c1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 2890281 YJQIFLJPLGHKJD-UHFFFAOYSA-N 338.520 4.383 0 50 EIAA CCc1ccc(-c2cc(N3CCN(C)CC3)c3ccccc3n2)cc1 4542544 YIYISAORDWGJAQ-UHFFFAOYSA-N 331.463 4.216 0 50 EIAA Cc1ccc(OCc2nnc(SCc3ccccc3F)o2)cc1 4818658 PIKOZACFBCTTTQ-UHFFFAOYSA-N 330.384 4.388 0 50 EIAA Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1C 4840423 SKLUYMFROLWGDH-UHFFFAOYSA-N 327.767 4.316 0 50 EIAA CCSc1nnc(NC(=O)c2cc(-c3ccccc3)oc2C)s1 11667569 JOHFVWNVMCKUAT-UHFFFAOYSA-N 345.449 4.471 0 50 EIAA C[C@@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1Cc1ccccc1 12383973 FRJMTBCSYDQFLG-OAHLLOKOSA-N 335.451 4.308 0 50 EIAA Cc1csc2c(-c3ccc([C@@H](C)N4CCOCC4)cc3)ncnc12 67690928 HWSUPOUHHGJBGD-CQSZACIVSA-N 339.464 4.060 0 50 EIAA CC(C)c1ncc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)cn1 97742649 QLPUAKAUMZEZMH-SFHVURJKSA-N 335.455 4.204 0 50 EIAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1[C@H]2CC[C@@H]1C[C@H](O)C2 101949798 FWTTXYNSOPPUIQ-PMOLBWCYSA-N 348.446 4.291 0 50 EIAA O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCCC2(CCCCCC2)C1 129668003 OAVFWWURBGFQHZ-ROUUACIJSA-N 334.504 4.090 0 50 EIAA CC(C)CC(=O)N1CCC(CN(CC2CC2)c2ccccc2)CC1 170597311 QXMJMKUOZPSUHH-UHFFFAOYSA-N 328.500 4.188 0 50 EIAA Cc1ccc(-c2nnc([C@H](C)Nc3cnn(C(C)(C)C)c3)o2)cc1 186260096 MFTDAHYIZMPCOG-ZDUSSCGKSA-N 325.416 4.170 0 50 EIAA Cc1cccc(C[C@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)n1 221436929 XBLXMEGFFYOKRN-HNNXBMFYSA-N 336.391 4.136 0 50 EIAA CCCC(=O)Nc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2C)cc1 252537321 KYIOBDQAFYWDKU-HNNXBMFYSA-N 342.487 4.362 0 50 EIAA Cc1cc([C@@H](C)NCc2ccc(CN3CCc4ccccc43)cc2)no1 289552016 CFHTVYCONQFPBM-QGZVFWFLSA-N 347.462 4.397 0 50 EIAA C[C@H](NCc1cccc(-c2cnn(C)c2)c1)[C@@H]1C[C@H]1c1cccs1 417306692 DOFYEZJDYIDPLT-ZOCIIQOWSA-N 337.492 4.430 0 50 EIAA C[C@H](c1ccc(-c2ccc3c(c2)NC(=O)CO3)cc1)N1CCCCC1 426409416 OHWUEFFSZXPHBJ-OAHLLOKOSA-N 336.435 4.231 0 50 EIAA O=C(c1ccc(O)cc1F)N1Cc2ccccc2C[C@@H]1c1ccccc1 1446421551 LQWUCCGBELLERZ-OAQYLSRUSA-N 347.389 4.471 0 50 EIAA C[C@H](NC(=O)Nc1cnn(C(F)F)c1)[C@H](C)c1ccccc1Cl 1857530468 JJWZJSQTNQLYQC-UWVGGRQHSA-N 342.777 4.245 0 50 EIAA O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 35076 OFJRMQYUMVEPRV-FQEVSTJZSA-N 332.378 4.305 0 50 EIAA CCOc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 181516 PPZBMHJMRXKEAZ-UHFFFAOYSA-N 342.420 4.021 0 50 EIAA O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc(F)c1 361369 ZIAJEUGSRCCXNO-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(CC(=O)O)cc1 448593 ZMJVHHYEDXRKOA-UHFFFAOYSA-N 335.359 4.134 0 50 EIAA Cc1ccc(-n2nnnc2SCc2ccccc2F)cc1Cl 456053 YYOXAXFAPGQYRG-UHFFFAOYSA-N 334.807 4.056 0 50 EIAA O=C(COc1ccc(-c2ccccc2)cc1)N1CCc2ccccc21 587167 OIDPOHAQKMQJSF-UHFFFAOYSA-N 329.399 4.322 0 50 EIAA Cc1ccc(F)cc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 1055146 YYQULOIETDOUKA-UHFFFAOYSA-N 331.730 4.146 0 50 EIAA CCCCSc1ccc2n(c1)cc(-c1ccc(C=O)cc1)[n+]2C 2029315 PSOLOGNAMYBRQH-UHFFFAOYSA-N 325.457 4.136 0 50 EIAA COCCOc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 10154978 CADDVMDPEVCXLH-UHFFFAOYSA-N 340.206 4.271 0 50 EIAA Clc1ccc(SCCOCCn2cnc3ccccc32)cc1 13281906 XLHVYNZIPKVNMQ-UHFFFAOYSA-N 332.856 4.499 0 50 EIAA N=c1oc2ccccc2cc1C(=O)Nc1cc(Cl)cc(Cl)c1 17068492 QUFXMCMCBKIFKW-UHFFFAOYSA-N 333.174 4.471 0 50 EIAA CCC[C@H](C)c1c(-c2ccccc2)ncn1Cc1noc(COC)n1 65501169 ROTLFMRURLFATL-AWEZNQCLSA-N 340.427 4.031 0 50 EIAA O=C(c1ccc2cc[nH]c2c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 67460352 HGFIZGKMNYYKBL-SFHVURJKSA-N 340.810 4.035 0 50 EIAA CN(Cc1cccc2cnccc12)C(=O)c1ccc(OC(F)F)cc1 77338550 FPWMJQLHKHOVRE-UHFFFAOYSA-N 342.345 4.108 0 50 EIAA Cc1ccnc([C@H](NC(=O)Nc2cc3[nH]cnc3c(C)c2C)C2CC2)c1 96162667 ONKFYYUBWCEFGG-LJQANCHMSA-N 349.438 4.156 0 50 EIAA CC(C)c1cc(C(=O)NCCOc2ccccc2-c2ccccc2)n[nH]1 109213149 CSGVRADHEHJHFP-UHFFFAOYSA-N 349.434 4.009 0 50 EIAA CCCCc1nc(Cl)c(CN2CCCC[C@H]2c2cc(C)on2)[nH]1 215830706 DJSCALJWBJBAAW-HNNXBMFYSA-N 336.867 4.429 0 50 EIAA C[C@@H](c1ccc(F)c(Cl)c1)N1CCO[C@@H](c2nccs2)C1 222213826 XSBSDGVNZWPBAE-IINYFYTJSA-N 326.824 4.070 0 50 EIAA Clc1ccc(-c2csc(CN[C@H]3CCN4CCC[C@H]4C3)n2)cc1 245289831 FKLACJKOWPDBLI-HOTGVXAUSA-N 347.915 4.180 0 50 EIAA CCc1cnccc1[C@H](C)NCc1cn(-c2cccc(F)c2)nc1C 414369282 ULTXCSCRWRJKNV-HNNXBMFYSA-N 338.430 4.128 0 50 EIAA Cc1ccc(-c2nc3[nH]c(-c4ccc(Cl)cc4)nc(=O)c3o2)cc1 1857799036 LBFJSHKJTHJZGJ-UHFFFAOYSA-N 337.766 4.207 0 50 EIAA Clc1ccc2c(n1)CCC[C@@H]2NCCc1cccc2cc[nH]c12 2325750933 FPXCAVGFYABPGL-INIZCTEOSA-N 325.843 4.426 0 50 EIAA O=C(NCCc1ccccc1OC(F)(F)F)NCCC1CCCC1 2325879874 KWSZBDOMUWJTDL-UHFFFAOYSA-N 344.377 4.007 0 50 EIAA FC(F)(F)c1cccc(N2CCN(Cc3ccsc3)CC2)c1 236474 FXTIOSAOBKJTPM-UHFFFAOYSA-N 326.387 4.089 0 50 EIAA O=C1c2ccccc2C(=O)N1c1ccccc1SOC(F)(F)F 992639 VOMOMVKJZXMDEL-UHFFFAOYSA-N 339.294 4.031 0 50 EIAA CCCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 2448431 FIYGCVZVXHITOS-UHFFFAOYSA-N 331.803 4.124 0 50 EIAA O=C(CCCCC(=O)NC1CCCCCC1)NC1CCCCCC1 4893867 XHBOTWXTBILJDH-UHFFFAOYSA-N 336.520 4.225 0 50 EIAA Cc1ccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)cc1 9329423 YNDZCRRPEOUQEL-UHFFFAOYSA-N 331.379 4.227 0 50 EIAA CCCN1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 16580486 KGISEBXIYGDQKR-UHFFFAOYSA-N 336.888 4.159 0 50 EIAA CCCCCCC(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl 19228691 MSORWMJLVDTLQH-ZDUSSCGKSA-N 343.726 4.255 0 50 EIAA CC(C)(C)C[C@@H](Nc1nc(CCN)nc2ccccc12)c1cccnc1 65535498 UBHIEQSQBAIJJX-GOSISDBHSA-N 349.482 4.115 0 50 EIAA COCC[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 96151390 RXHQYEPMJZOPOH-GFCCVEGCSA-N 348.340 4.267 0 50 EIAA COC[C@@H]1CCCN1C(=O)Nc1ccc(SCc2ccco2)cc1 96162265 NPNUOXKDPHXCTP-HNNXBMFYSA-N 346.452 4.215 0 50 EIAA Cc1cc(C)cc(C2(CNC(=O)CCc3ccncc3)CCCC2)c1 97480395 ICBACKBXNCYKNV-UHFFFAOYSA-N 336.479 4.259 0 50 EIAA CC(C)c1ncc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cn1 97631887 ILJCVVKXTLMDKK-UHFFFAOYSA-N 329.831 4.063 0 50 EIAA Cc1cccc(C[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 100573436 HCVCTQQMLAAREH-OAHLLOKOSA-N 327.811 4.079 0 50 EIAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-n2ccnc2)c1 117563762 WFAMFOWMJKOUEQ-UHFFFAOYSA-N 347.296 4.023 0 50 EIAA O=C(CCSCc1ccc(F)cc1)N1CCC[C@H]1c1ccccn1 220023349 FCCSYQMUPDXMQZ-SFHVURJKSA-N 344.455 4.208 0 50 EIAA C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](c2ccccc2)C1 229720084 WHBXSBHMXCHYER-GDBMZVCRSA-N 328.843 4.157 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1C1=C2[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 257356240 GZAQDHBYALEXGZ-FFUSXRSHSA-N 345.442 4.115 0 50 EIAA Cc1cscc1C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 277233758 XTSIPBFRWKLGEK-UHFFFAOYSA-N 333.428 4.017 0 50 EIAA Cc1ncc(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)cn1 446081544 OZMTXHZQDNPGGB-UHFFFAOYSA-N 336.222 4.152 0 50 EIAA Cc1cc(C(=O)CN2CCCC[C@H]2c2nc3ccccc3o2)c(C)[nH]1 679136680 SRWHTCRQORNYTF-KRWDZBQOSA-N 337.423 4.183 0 50 EIAA CC1(C)C[C@H](c2nc(-c3ccc4c(c3)CCO4)no2)c2ccccc2O1 904685272 DLUBHQNTDIRUHU-INIZCTEOSA-N 348.402 4.365 0 50 EIAA CCn1ncc(C)c1NC(=O)c1ccccc1OCCc1ccccc1 1529133684 CJKGPCLOVHNXCF-UHFFFAOYSA-N 349.434 4.085 0 50 EIAA CC[C@@H](Cn1ccnc1-c1cnc(-c2ccccc2)s1)N(C)C 1857699067 GNLJXAVWDLROIJ-HNNXBMFYSA-N 326.469 4.014 0 50 EIAA C[S@](=O)c1ccc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1F 1875264546 MMDWAGMTZYTBNI-NHBFPYQTSA-N 335.419 4.450 0 50 EIAA c1ccc(CCN(CC[C@@H]2CCc3ccccc32)[C@@H]2CCOC2)cc1 1875345486 ZDUFKZFATYGOGY-FCHUYYIVSA-N 335.491 4.440 0 50 EIAA Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)oc2C)cc1C 2325700434 INQUPIZQHXCYHI-UHFFFAOYSA-N 334.419 4.239 0 50 EIAA Fc1ccc(Nc2nnc(SCCc3cccnc3)s2)cc1 2325733817 IUFDMEYKFCDFSY-UHFFFAOYSA-N 332.429 4.151 0 50 EIAA COC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 166305 QMSWRFVDAZACNC-UHFFFAOYSA-N 331.677 4.333 0 50 EIAA C[C@@H](NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1 818535 SKVIJGBIVSPOOH-OAHLLOKOSA-N 346.430 4.111 0 50 EIAA O=C(NCCOc1ccccc1Cl)c1cc(F)c(F)cc1Cl 2206383 SJLWDAHPKZXNBI-UHFFFAOYSA-N 346.160 4.080 0 50 EIAA CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccs3)cc12 4735750 HWBPXFFZCCZBIB-UHFFFAOYSA-N 349.433 4.115 0 50 EIAA O=C(Nc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)O 4776730 VSCVMMZCYHQJQD-UHFFFAOYSA-N 325.151 4.336 0 50 EIAA CC(C)=CCC[C@H](C)CN1CCC(CCC(=O)N2CCCC2)CC1 15073014 KQVJFCWZXVQXBW-IBGZPJMESA-N 334.548 4.484 0 50 EIAA CC(C)(C)OC(=O)NCCCCCCCCNC(=O)OC(C)(C)C 34142836 YLKUQZHLQVRJEV-UHFFFAOYSA-N 344.496 4.376 0 50 EIAA CC[C@H](C)[C@H]1COC(c2cccc(C3=N[C@@H]([C@@H](C)CC)CO3)c2)=N1 34386641 PZPUGMDGPIPICI-LBTBCDHLSA-N 328.456 4.070 0 50 EIAA O=C(O)c1ccc2nc(-c3c[nH]nc3-c3cc4ccccc4o3)[nH]c2c1 72473139 ARTIRCRVNHSQMZ-UHFFFAOYSA-N 344.330 4.064 0 50 EIAA COc1cccc([C@@H]2CCCCN2C(=O)c2csc(C(C)=O)c2)c1 77420408 LSINEKLGEWCXGY-KRWDZBQOSA-N 343.448 4.327 0 50 EIAA C[C@@H](Cc1ccccn1)NC(=O)c1ccc(-c2ccccc2Cl)o1 91475560 LKUQWQPUVZNGJP-ZDUSSCGKSA-N 340.810 4.356 0 50 EIAA Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)c2c(C)noc2n1 95391235 WFAPREHDRDAPMA-OAHLLOKOSA-N 339.395 4.190 0 50 EIAA O=C(CSCc1c(F)cccc1Cl)N[C@H]1C[C@H]2CC[C@H]1C2 101352391 SBAGARNROXJDSI-PGUXBMHVSA-N 327.852 4.017 0 50 EIAA O=C(Cc1c[nH]c2ncccc12)Nc1ccc(COC2CCCC2)cc1 121350308 QOBZGDWIJMMOAH-UHFFFAOYSA-N 349.434 4.203 0 50 EIAA O=C(c1nccc2ccccc12)N(Cc1cccnc1)Cc1ccco1 153574501 VDJCKQWBIRBOOZ-UHFFFAOYSA-N 343.386 4.065 0 50 EIAA CC(=O)c1cccc(NC(=O)N[C@H]2CCCc3cc(F)ccc32)c1 155701753 IMRMAQGQYMEYDD-SFHVURJKSA-N 326.371 4.227 0 50 EIAA COc1cccc(C(=O)N2CCCCC[C@H]2c2ccccc2)c1O 170642090 RHYLZNMFRSRZNO-KRWDZBQOSA-N 325.408 4.158 0 50 EIAA Fc1ccc([C@H]2CN(Cc3cccc4cnccc34)CCO2)c(F)c1 190131610 SJTBHJGSSHKHQP-HXUWFJFHSA-N 340.373 4.087 0 50 EIAA Cn1ccnc1[C@H](NC(=O)c1ccccc1-c1ccc(F)cc1)C1CC1 218970817 DFSBYJXHTPUTNC-LJQANCHMSA-N 349.409 4.107 0 50 EIAA Cc1nc(-c2cccc(C(F)(F)F)c2)sc1-c1ccnc(N)n1 221596886 AOSWUVBMSLLGKO-UHFFFAOYSA-N 336.342 4.177 0 50 EIAA O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cc[nH]c1C1CC1 225811245 PXLWEJYULCSKPB-UHFFFAOYSA-N 348.402 4.429 0 50 EIAA O[C@@H]1CCC[C@H](CN[C@H](c2ccc(Br)cc2)C2CC2)C1 230208378 RTUWWBKEHHZFEW-VUCTXSBTSA-N 338.289 4.041 0 50 EIAA C[C@@H](Nc1ncnc2c1ncn2C1CC1)c1nc(C(C)(C)C)cs1 330306125 RFOJHEDJSLGKJF-SNVBAGLBSA-N 342.472 4.088 0 50 EIAA COc1ccc(-c2noc([C@H]3CC(C)(C)Oc4ccccc43)n2)cc1 904361630 QJELHUBPEISRQT-INIZCTEOSA-N 336.391 4.438 0 50 EIAA CC(C)Oc1ccc([C@H](C)NCc2nnc3ccccn23)cc1Cl 952962882 DMGPFWLTDFPIPY-ZDUSSCGKSA-N 344.846 4.021 0 50 EIAA CCn1ccc2c(CN3CCCN(c4ccncc4C)CC3)cccc21 952969797 JZYGGCKAFMATGX-UHFFFAOYSA-N 348.494 4.077 0 50 EIAA Cc1oc(NC(=O)c2c(-c3cccs3)noc2C)nc1C1CC1 1338961873 XHOPMPCOQDRAPC-UHFFFAOYSA-N 329.381 4.138 0 50 EIAA O=C1COc2c(cc(-c3cc4ccccc4[nH]3)cc2C(F)(F)F)N1 2325821347 HJKKRNYKAVDICR-UHFFFAOYSA-N 332.281 4.185 0 50 EIAA Cc1nc2ccc(NC(=S)Nc3ccc(F)cc3)cc2nc1C 303185 UVMCMRVNQHJCIS-UHFFFAOYSA-N 326.400 4.195 0 50 EIAA O=C(Nc1cccc2ncccc12)c1cccc(Br)c1 521826 TYVLSBCFFLRBAH-UHFFFAOYSA-N 327.181 4.250 0 50 EIAA COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 527943 XXHVTEPTYPSZFH-UHFFFAOYSA-N 339.844 4.075 0 50 EIAA CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)C3=O 2411999 IJXMEENEVCBDTA-HXUWFJFHSA-N 339.822 4.358 0 50 EIAA CC(=O)c1c(OC(=O)c2cccc(Cl)c2)c2ccccc2n1C 2812347 PCOOPLJVSRILDW-UHFFFAOYSA-N 327.767 4.254 0 50 EIAA CCCOc1cccc(C(=O)Nc2cccc(Br)c2)c1 2997452 MPYCCXHFLALSKD-UHFFFAOYSA-N 334.213 4.490 0 50 EIAA O=C1Nc2ccc(Br)cc2/C1=C/c1cc2c([nH]1)CCCC2 3834050 RFHPWPWVGFSLOP-ZROIWOOFSA-N 343.224 4.149 0 50 EIAA in-vitro CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC 3885944 QTVRIQFMPJRJAK-UHFFFAOYSA-N 326.525 4.234 0 50 EIAA COC(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1 4941438 IGVOHEGQYHZSBC-UHFFFAOYSA-N 329.739 4.125 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C[C@@H](O)[C@H]1[C@H]3CCC[C@@]3(C)CC[C@H]12 5227336 YQMXIAABFQDHTC-LDIHBYOFSA-N 334.500 4.322 0 50 EIAA Cc1cc(NCc2ccccn2)n2ncc(-c3ccccc3Cl)c2n1 5324607 GCVPZDHHMXRBFB-UHFFFAOYSA-N 349.825 4.365 0 50 EIAA CC1=CC(C)(C)N(C(=O)CSc2ncccn2)c2cc(C)ccc21 9288707 WRIGZVHVPZHCMV-UHFFFAOYSA-N 339.464 4.106 0 50 EIAA O=C(c1ccc(Cl)c(F)c1)N1CCC[C@H](Nc2ccccc2)C1 11666797 ROJJLOODKMUFOK-HNNXBMFYSA-N 332.806 4.196 0 50 EIAA C[C@@H]1C[C@@H](C)CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 11852045 ALSKJBPWZSRVLV-KZNAEPCWSA-N 336.479 4.133 0 50 EIAA 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0 50 EIAA O[C@@H]1CCCC[C@@H]1C1(NC(=S)Nc2ccccc2)CCCCC1 267939 PTBLMHUNNYYRFT-DLBZAZTESA-N 332.513 4.227 0 50 EIAA CC1(C)CC(=O)c2sc(NC(=O)c3ccc(Cl)cc3)nc2C1 281033 GUUAIUOGHPLLOI-UHFFFAOYSA-N 334.828 4.204 0 50 EIAA CCc1c(C)sc(NC(=O)Nc2cccc(Cl)c2)c1C(N)=O 369822 YNXJYJIQCHRZHD-UHFFFAOYSA-N 337.832 4.015 0 50 EIAA CCc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 449535 SAOYZMLPMIOSQR-UHFFFAOYSA-N 334.213 4.029 0 50 EIAA O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1C1CCCCC1 450598 KNMBIVNBUQALHW-UHFFFAOYSA-N 346.386 4.424 0 50 EIAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NC1CCCCCCC1 2793734 QACWJZXCPYVYHZ-GFCCVEGCSA-N 345.409 4.076 0 50 EIAA Cc1ccc(OCCNC(=O)Cc2cccc3ccccc23)cc1C 2870101 UOSKXAOSLLEGQO-UHFFFAOYSA-N 333.431 4.194 0 50 EIAA C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c2C1 3893936 KKHPGCJBGAERNW-LLVKDONJSA-N 347.461 4.420 0 50 EIAA Cc1ccc(C(=O)NCCOc2cccc3cccnc23)cc1Cl 4717887 XNFPEBAFEVXULV-UHFFFAOYSA-N 340.810 4.005 0 50 EIAA CCCOC(=O)c1c(NC(=O)OCC)sc2c1CCCCC2 5022281 LBZMJYAHEOBBDZ-UHFFFAOYSA-N 325.430 4.152 0 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0 50 EIAA O=C(Nc1cccc2nc[nH]c12)c1conc1-c1ccc(Cl)cc1 2325748798 RWBSNRCSGOQBOH-UHFFFAOYSA-N 338.754 4.124 0 50 EIAA O[C@@H](CNCc1cccc2cc(Cl)ccc12)Cc1ccc(F)cc1 2325841708 DNORACQCCSTACP-LJQANCHMSA-N 343.829 4.326 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)c1ccccc1C(F)F 2325842386 WVCWYZQBRQPUDF-HZPDHXFCSA-N 333.422 4.434 0 50 EIAA C[C@H]1CCc2cc(NC(=O)NC[C@H]3CC(C(C)(C)C)=NO3)ccc2C1 2325865133 ONBGYLDMEOPBGK-SUMWQHHRSA-N 343.471 4.124 0 50 EIAA COc1c(C)cc(Nc2cc(Cl)ccc2-n2cncn2)cc1C 2356137936 AZNLMXYSPRESOP-UHFFFAOYSA-N 328.803 4.290 0 50 EIAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2C)c1 342135 OQCGBYRYRJZYIM-GFCCVEGCSA-N 342.464 4.341 0 50 EIAA CC(C)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 450666 SOAMUBQVOGQEBK-UHFFFAOYSA-N 338.382 4.491 0 50 EIAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 470358 YICCKAFAKNNLNB-CQSZACIVSA-N 343.448 4.291 0 50 EIAA COc1cc2ccccc2cc1C(=O)NC1C2CC3CC(C2)CC1C3 471100 DMYXQJKYPXUXFU-UHFFFAOYSA-N 335.447 4.403 0 50 EIAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C)C 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Cc1c(C)n(-c2ccccn2)c2ncnc(NCc3ccccc3)c12 6670146 AEWVSIPEYOOKFO-UHFFFAOYSA-N 329.407 4.044 0 50 EIAA CSc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 12227983 DRQMPCLQSVPDLH-MRXNPFEDSA-N 344.455 4.264 0 50 EIAA CCCN(Cc1cccnc1)C(=O)C1(c2ccc(Cl)cc2)CC1 55271552 RXCOBEDQODESHV-UHFFFAOYSA-N 328.843 4.205 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)N3CCCC[C@H]3CCO)c(C)c2c1 77516179 KJYQTAQWPOGAQV-ZDUSSCGKSA-N 335.831 4.080 0 50 EIAA CSc1cccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c1 95524968 PVOMXXGQTORHLB-UHFFFAOYSA-N 332.473 4.093 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N3CCC(c4nccn4C)CC3)cc2)o1 97805784 AXHFTLBCJYTMQC-UHFFFAOYSA-N 349.434 4.008 0 50 EIAA Clc1ccc2oc(C3CCN(Cc4nccs4)CC3)nc2c1 135173605 MRHDBIGEBQYOJE-UHFFFAOYSA-N 333.844 4.317 0 50 EIAA O=C(Cc1cccs1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 222968009 MDIDLWHVSVGZCO-GOSISDBHSA-N 342.851 4.245 0 50 EIAA CC(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2ccc(C)c(F)c2)c1 252484371 FUWWDAGTZVWZAE-UHFFFAOYSA-N 348.805 4.018 0 50 EIAA CCCC[C@H]1C=CCN1C(=O)Nc1cnn(Cc2ccccc2F)c1 426471352 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COC(=O)/C=C/c1ccc(OCCSc2ccccc2)c(OC)c1 6793348 CCAPUHSPAWULPS-PKNBQFBNSA-N 344.432 4.053 0 50 EIAA Cc1ccc(CN(C)Cc2nc(Cc3ccccc3Cl)no2)cc1 12195769 AHVFHERNYZYWHW-UHFFFAOYSA-N 341.842 4.254 0 50 EIAA Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)oc2ccccc12 13327057 KIRUVMLSLRJOAM-UHFFFAOYSA-N 348.402 4.230 0 50 EIAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cccc(Cl)c4)cn1c23 33088856 KHMWQJAPCTZQSH-LLVKDONJSA-N 338.794 4.024 0 50 EIAA C[C@H](c1ccc(C(=O)NCc2cc(F)ccc2F)o1)N1CCCCC1 55255143 RSDKMKMMFSUWJH-CYBMUJFWSA-N 348.393 4.035 0 50 EIAA FC(F)(F)c1nccc(NCc2scnc2-c2ccccc2)n1 91255553 BUYOMZCXCFLACR-UHFFFAOYSA-N 336.342 4.231 0 50 EIAA COC(=O)Nc1cccc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c1 158169056 GQWKGCCDEIPRJI-KRWDZBQOSA-N 338.407 4.017 0 50 EIAA Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1ccc(Br)o1 170615550 UOLMUDGBXQRYMQ-IUCAKERBSA-N 327.222 4.101 0 50 EIAA COCc1cc(F)ccc1NC(=O)N[C@@H](Cc1ccccc1)C1CC1 184744087 QUHZXBUKIRQHJY-IBGZPJMESA-N 342.414 4.115 0 50 EIAA CC(C)(C)[C@H]1CCC[C@H](NC(=O)N2CCC(n3ccnc3)CC2)CC1 187052366 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Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(O)cc1F 181272907 VYDKPYPHZJGECU-LLVKDONJSA-N 336.432 4.253 0 50 EIAA CC(C)c1ccccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 183911130 LVZQATORWAEZQQ-OAQYLSRUSA-N 336.435 4.473 0 50 EIAA O=C(NCCCc1ccccn1)c1ccc(Cl)cc1C(F)(F)F 186197409 SVQRDJNGLULZOA-UHFFFAOYSA-N 342.748 4.116 0 50 EIAA c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](N[C@@H]2CCOc4ccccc42)C3)cc1 248408658 CGJFPXBAYQZJKY-XAPVIXHLSA-N 348.490 4.295 0 50 EIAA O=C(N[C@H](c1cccnc1)c1cc2ccccc2o1)[C@@H]1[C@H]2CCC[C@H]21 253370366 PYDLKGUXYSJLST-GIYDNNGJSA-N 332.403 4.080 0 50 EIAA CC1(C)CN(C(=O)c2cc(-c3cccnc3)on2)[C@H]1c1cccs1 288482627 VQSNUKFGSXSEHG-INIZCTEOSA-N 339.420 4.021 0 50 EIAA Cc1cc(C)cc([C@H](O)CNCc2ccc(Cl)c3cccnc23)c1 800896759 RTNRNJQZOTWWEL-LJQANCHMSA-N 340.854 4.328 0 50 EIAA O=C(COc1ccc2c(c1)CCC2)N(C1CC1)[C@@H]1CCc2ccccc21 917404783 ZBXBWOWLZFWEGZ-JOCHJYFZSA-N 347.458 4.233 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)Cc1cc(-c2ccncc2)no1 1506400564 ATXHWFGDZWFZME-HXUWFJFHSA-N 336.439 4.495 0 50 EIAA COC1CCC(c2nnc(-c3cc(-c4ccccc4)on3)o2)CC1 1875279318 PODOSANPSFOULF-UHFFFAOYSA-N 325.368 4.064 0 50 EIAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(Cl)c1 1875341749 GAHFSKWLIQJNRQ-LLVKDONJSA-N 343.789 4.360 0 50 EIAA CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc2scc(C)c2[nH]1 2325851165 QZCAHJOBPBAOGH-GTNSWQLSSA-N 346.427 4.183 0 50 EIAA CCc1cc2c(=O)c(Oc3ccccc3)c(C)oc2cc1OC(C)=O 86741 PWBYBYFBOOULAX-UHFFFAOYSA-N 338.359 4.381 0 50 EIAA O=C(NC[C@H]1CCCO1)N1c2ccccc2Sc2ccccc21 91230 JREVVDNYEBPNSB-CYBMUJFWSA-N 326.421 4.178 0 50 EIAA COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(C)cc1 371507 OABITBXSJIEAQG-UHFFFAOYSA-N 329.421 4.167 0 50 EIAA Cc1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3)n2)cc1 428148 IJRSVKBLTAVIDF-UHFFFAOYSA-N 341.798 4.270 0 50 EIAA O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccccc1 447681 JFRKFXVKYNVKKC-UHFFFAOYSA-N 348.793 4.326 0 50 EIAA O=C(NCC[C@@H](c1ccc(F)cc1)c1ccco1)c1cccs1 550841 MPNZKURRHZODRC-HNNXBMFYSA-N 329.396 4.432 0 50 EIAA CCCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 1906253 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EIAA O=C(c1cc(O)ccc1C(F)(F)F)N1CC=C(c2ccccc2)CC1 170607857 XZYHIVLGQNSWEL-UHFFFAOYSA-N 347.336 4.341 0 50 EIAA COc1ccc(-c2ccc(C)c(NC(=O)c3scnc3C)c2)cn1 253392801 UDRFITJLDIPQDV-UHFFFAOYSA-N 339.420 4.083 0 50 EIAA O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(-c2ccccc2)on1 437488764 FFJJSWYQXIUFRH-JCNLHEQBSA-N 336.366 4.157 0 50 EIAA Cc1cc(C)n(CCCN(C)Cc2cc(C3CCCCC3)no2)n1 1506403489 SJIWXKYAAGPMET-UHFFFAOYSA-N 330.476 4.058 0 50 EIAA O=C(c1onc2ncccc12)N1CCCCC[C@@H]1c1cccc(F)c1 1775979301 SOFWKHAXGXGJAD-MRXNPFEDSA-N 339.370 4.119 0 50 EIAA Cc1ncc(CNC2(c3noc(C4CCCC4)n3)CCCCCC2)o1 1875271353 VDQITUCTIAQKOS-UHFFFAOYSA-N 344.459 4.363 0 50 EIAA CC1(C)CC(=O)c2sc(NC(=O)CSc3ccccc3)nc2C1 465391 SLYUAJPVTZXZMT-UHFFFAOYSA-N 346.477 4.029 0 50 EIAA C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)CCc1ccccc1 475231 KHOKSQNHOLYGLN-CABCVRRESA-N 331.843 4.245 0 50 EIAA Cc1ccc(-c2nnc(OCCN3CCCCC3)c3ccccc23)cc1 477332 JPCZNGMORKNXKV-UHFFFAOYSA-N 347.462 4.470 0 50 EIAA CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1 2570958 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CCOc1ccc(CCCC(=O)N[C@H](C)CCCC(C)(C)O)cc1C 55183286 LDIRKJHAGSYDRA-QGZVFWFLSA-N 349.515 4.162 0 50 EIAA Cc1nn(C)c2c1[C@@H](/C=C/C=C/c1ccc(Cl)cc1)CC(=O)N2 65398028 VMDDOPAQMUYEJK-NWHMWQLCSA-N 327.815 4.077 0 50 EIAA CCn1ccnc1C1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 91289434 OGKHIPLCPHYDRJ-LJQANCHMSA-N 339.483 4.049 0 50 EIAA C[C@H](NCc1ccccc1OCC1CC1)c1ccc2c(c1)OCO2 156284539 RTAAMWRMLPNTDI-AWEZNQCLSA-N 325.408 4.055 0 50 EIAA CC1(C)CN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CCO1 170602558 OVGRNLYXXZLWOA-UHFFFAOYSA-N 349.474 4.218 0 50 EIAA CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(-n2nccn2)cc1 170637512 XTHOYGJWQUGJEP-SFHVURJKSA-N 341.459 4.090 0 50 EIAA Cn1cnc2cc(C(=O)N(Cc3ccsc3)C3CCCC3)ccc21 214967804 KYHSKEMWPLAFQW-UHFFFAOYSA-N 339.464 4.220 0 50 EIAA Cc1c[nH]nc1C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 218948859 KHUWXXORGGEIDY-UHFFFAOYSA-N 345.446 4.405 0 50 EIAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCC[C@H]1C(F)(F)F 225433708 XSGUNYGKISHMIP-RBSFLKMASA-N 347.421 4.353 0 50 EIAA Cc1cnc([C@@H](C)NC(=O)N2CCC=C(c3ccccc3)C2)s1 242339251 ZGFZUMLSQFQOSS-CQSZACIVSA-N 327.453 4.011 0 50 EIAA CCOC(=O)N[C@H](Cc1ccccc1)c1csc([C@@H]2CCCO2)n1 408523986 OYVVJWLDHGYDKG-ZBFHGGJFSA-N 346.452 4.025 0 50 EIAA Cc1nn(-c2ccccc2)cc1CN[C@H](C)c1ccc(C(F)F)nc1 888101158 KQAAGFXJXLBZLA-CYBMUJFWSA-N 342.393 4.364 0 50 EIAA CC(C)Oc1ccc(NC(=O)[C@@H](c2ccncc2)C(C)C)c(F)c1 952845181 GWKBONUHGWTFPP-GOSISDBHSA-N 330.403 4.386 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(OC)cc1C 952965186 SNMMOKUBCMXOBG-IBGZPJMESA-N 326.440 4.402 0 50 EIAA Cc1ccc2nc([C@H](NC(=O)NCc3cccs3)C(C)C)[nH]c2c1 952980550 KDKACBGLLSLQQS-MRXNPFEDSA-N 342.468 4.129 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(c3ccnc4ccc(Cl)cc34)C[C@@H]21 1704332130 PJSVGGHDKLNSFU-ACWOFJMJSA-N 330.859 4.266 0 50 EIAA Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)(C)C)s3)no2)cc1 1775977359 UCNWJVPCUOLAHT-UHFFFAOYSA-N 342.424 4.051 0 50 EIAA O=C(O)[C@H]1C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1857798423 GJSDHCKKSLPSSM-HOTGVXAUSA-N 338.794 4.381 0 50 EIAA CC(C)c1ccc(C(=O)N(C)[C@@H]2CCN(CC3CCCC3)C2)s1 1875335110 SLVXDZXILQBNQB-MRXNPFEDSA-N 334.529 4.208 0 50 EIAA Brc1ccc(Cc2csc([C@@H]3CCCCN3)n2)cc1 2325840469 BILNMFYOJRXEQB-AWEZNQCLSA-N 337.286 4.311 0 50 EIAA COc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)c1C 389022 ZRCMNSIPZRJOPL-UHFFFAOYSA-N 328.343 4.339 0 50 EIAA CN(CCCOc1cccc(Br)c1)Cc1ccccc1 2823039 WVGJMDMOTVYQEM-UHFFFAOYSA-N 334.257 4.350 0 50 EIAA O=C(Cc1ccc(F)cc1)Nc1cccc(CCc2ccccn2)c1 2997786 NBAKXMSROCKEND-UHFFFAOYSA-N 334.394 4.187 0 50 EIAA CSc1ccc(Cl)c(C(=O)NCCOc2ccccc2F)c1 3000113 XJZOZYZSURNWTE-UHFFFAOYSA-N 339.819 4.010 0 50 EIAA Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(F)cc1 4869821 DWLABMDYCCQUQM-UHFFFAOYSA-N 338.338 4.232 0 50 EIAA CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)c(C)c1 4884430 IDJXQKLWJMWKRF-UHFFFAOYSA-N 348.446 4.397 0 50 EIAA COc1ccccc1-c1cc2c(c(OC)c1)OCCN(CC(C)C)C2 11998673 OFGAUEBXMKVWQK-UHFFFAOYSA-N 341.451 4.221 0 50 EIAA COc1ccc(C[C@@H](C)N2CCN(c3cccc(Cl)c3)CC2)cc1 12383613 ZGOBGUXYDWORCM-MRXNPFEDSA-N 344.886 4.102 0 50 EIAA Brc1ccccc1CN1CCc2c([nH]c3ccccc23)C1 19594901 AMLAUAFJNXWLAG-UHFFFAOYSA-N 341.252 4.489 0 50 EIAA CC(C)(C)CC(C)(C)NC[C@H](O)COc1ccc2ccccc2c1 22146891 XHSNZRPAPMLASS-SFHVURJKSA-N 329.484 4.384 0 50 EIAA Cc1ccccc1CSCC(=O)Nc1c(C)cnn1[C@H](C)C1CC1 55035947 XTGLBPDPFZQIQK-OAHLLOKOSA-N 343.496 4.343 0 50 EIAA COCc1ccc(C(=O)N(C)CCSc2ccc(C)cc2)s1 55166771 YMXHBKXPERLDOZ-UHFFFAOYSA-N 335.494 4.067 0 50 EIAA O=C(CCC(F)(F)F)N1CCC[C@H](CCc2ccc(F)cc2F)C1 65405589 KMSLAIOOBUWWMZ-GFCCVEGCSA-N 349.343 4.479 0 50 EIAA O=C(C1=Cc2ccccc2OC=C1)N1CCCC[C@@H]1c1ccccn1 72462630 ZJBHZYGCUSYARL-LJQANCHMSA-N 332.403 4.125 0 50 EIAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1 91585920 AROYSDLLDCEMDJ-UHFFFAOYSA-N 337.876 4.199 0 50 EIAA Cc1cccc2[nH]c(C3CCN(Cc4cncn4C(C)C)CC3)nc12 97173277 IBMBKFXZWIFJLM-UHFFFAOYSA-N 337.471 4.028 0 50 EIAA Cc1cc(Oc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)n[nH]1 162564037 MYQPIPYZVBTFKW-UHFFFAOYSA-N 332.363 4.244 0 50 EIAA Cc1cnc(C(C)(C)NC(=O)Nc2cccc(N(C)C(C)C)c2)s1 177090601 LTNDHWXOITZZRN-UHFFFAOYSA-N 346.500 4.353 0 50 EIAA O=C(Nc1cccc(COCC2CC2)c1)c1coc(C2CCC2)n1 194151655 CSEYWLRXIHMRII-UHFFFAOYSA-N 326.396 4.121 0 50 EIAA O[C@@]1(c2ccccc2)CCN(CCCc2ccco2)[C@H]2CCCC[C@@H]21 244605572 FBBRAZSJXYNKFJ-FDFHNCONSA-N 339.479 4.365 0 50 EIAA Cc1cccc(C)c1NC(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1 246128050 IGPYNVWOPXOSNE-RTBURBONSA-N 343.515 4.422 0 50 EIAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1Cl 252444009 OIWCBYBVRZEGJY-OLZOCXBDSA-N 341.282 4.444 0 50 EIAA O=C(N[C@H](c1cccnc1)c1cc2ccccc2o1)C1[C@@H]2CCC[C@@H]12 253370367 PYDLKGUXYSJLST-JXXFODFXSA-N 332.403 4.080 0 50 EIAA O=C(C[C@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)cn1 253401726 FUVAJSHPHSQQDC-MRXNPFEDSA-N 325.799 4.155 0 50 EIAA C[C@H](NC(=O)CN1CC(C)(C)[C@@H]1c1cccs1)c1ccc(F)cc1 253419786 IGUHDHLVAMVZBW-UGSOOPFHSA-N 346.471 4.148 0 50 EIAA C[C@@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@@H](C)O1 294889717 YFKWCOPHWYSMNM-RKVPGOIHSA-N 331.460 4.072 0 50 EIAA CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(-c2ccccn2)no1 372538908 YOMJTUQOLIFSHW-UHFFFAOYSA-N 349.221 4.070 0 50 EIAA CC[C@@H](O)CN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 435708047 VTKZGTZYGQPMTK-OAQYLSRUSA-N 347.458 4.182 0 50 EIAA CC1(C)CC2(CO1)CC(NC(=O)NCc1cc3ccccc3s1)C2 892326195 YZHCYPFOOMTISN-UHFFFAOYSA-N 344.480 4.048 0 50 EIAA Cc1nc(CC(=O)N2CCC(Sc3ccccc3C)CC2)cs1 952968260 BLLDVFPWERBLPD-UHFFFAOYSA-N 346.521 4.086 0 50 EIAA Cc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c(F)c1F 1857694007 WTLCCLYUYRERGB-DOTOQJQBSA-N 345.437 4.401 0 50 EIAA CCc1cc(=O)n(Cc2csc(C(F)(F)F)n2)c2ccccc12 2325806088 SGJJNPZDWLQLIY-UHFFFAOYSA-N 338.354 4.088 0 50 EIAA C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1ccc2ccccn12 2356170919 UKPFGLYAFYJAAJ-OAHLLOKOSA-N 344.418 4.163 0 50 EIAA COc1ccccc1NC(=O)COc1cc(Cl)ccc1Cl 130383 KBHYFPGZNKZTIY-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA CC(=O)c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 133562 KKFXBZYTUGVPBT-UHFFFAOYSA-N 325.408 4.204 0 50 EIAA COc1ccccc1NC(=O)c1cc2ccccc2cc1OC(C)=O 403092 RKCVQLUEWCVWTN-UHFFFAOYSA-N 335.359 4.026 0 50 EIAA in-vitro COc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1OC 609571 VTUIJFUWKGDZJP-UHFFFAOYSA-N 340.807 4.305 0 50 EIAA O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21 2001740 ONNOFKFOZAJDHT-UHFFFAOYSA-N 337.463 4.499 0 50 EIAA world FC(F)(F)c1cc(I)cc(C(F)(F)F)c1 2168461 VDPIZIZDKPFXLI-UHFFFAOYSA-N 340.004 4.329 0 50 EIAA in-vitro CCOc1ccc(C(=O)C[C@@H](C(=O)O)c2c[nH]c3ccccc23)cc1 2543421 UXQQZCARNHZPPL-MRXNPFEDSA-N 337.375 4.008 0 50 EIAA C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 3068003 ANKXDSLWSFYJSK-SBUREZEXSA-N 343.426 4.291 0 50 EIAA CCC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 4802938 WLNBFUOHXNVEPA-ZCPXKWAGSA-N 326.480 4.273 0 50 EIAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1 5800113 QNLYWGYEWJQRBR-HZPDHXFCSA-N 336.391 4.036 0 50 EIAA COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1 12302668 QSKRYUVRZFCFDD-LJQANCHMSA-N 338.451 4.029 0 50 EIAA O[C@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 36096839 DLYUBSNZMPDBKM-HSZRJFAPSA-N 331.459 4.292 0 50 EIAA CCN(CCc1nc2ccc(C)cc2[nH]1)Cc1ccc(C(C)=O)cc1 55360491 AAFYILQBFJXNBI-UHFFFAOYSA-N 335.451 4.139 0 50 EIAA Cc1noc([C@@H]2CCCN2Cc2cnc(-c3ccccc3C)s2)n1 65395647 IQNANGOAIYFRPI-INIZCTEOSA-N 340.452 4.147 0 50 EIAA CS[C@@H](C)Cc1c(-c2ccccc2)ncn1CCN1CCCCC1 65498027 OGVFRNHBPHRUPV-KRWDZBQOSA-N 343.540 4.330 0 50 EIAA O=C(c1ccc2cc[nH]c2c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 67460356 HGFIZGKMNYYKBL-GOSISDBHSA-N 340.810 4.035 0 50 EIAA Cc1ccc2[nH]cc(CN3CCC[C@@H](OCc4cccnc4)C3)c2c1 67872374 GHFOZWRUZCLWFQ-LJQANCHMSA-N 335.451 4.053 0 50 EIAA Fc1ccc(Cn2ncc3c2CN(c2ccnc4ccccc24)C3)cc1 67885155 KDDBZWULYPWLDH-UHFFFAOYSA-N 344.393 4.139 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(O)c1 71738461 YRMLGOUIGSHBOO-QGZVFWFLSA-N 341.426 4.325 0 50 EIAA c1coc([C@@H]2CCCCCN2Cc2cnc(N3CCCC3)s2)c1 72120671 GPJWWCORUOUNIA-INIZCTEOSA-N 331.485 4.454 0 50 EIAA Cc1scc(C(=O)N2Cc3ccccc3[C@H](O)C2)c1-c1ccccc1 82120594 PLRSGQUKQPVTGL-LJQANCHMSA-N 349.455 4.413 0 50 EIAA CC(C)n1ccnc1[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1 95358402 XMWWZUTZKILZME-MRXNPFEDSA-N 349.425 4.445 0 50 EIAA c1ccc(CN2CCC(CCNc3nnc(C4CCC4)o3)CC2)cc1 95378192 ZDYPGBAOCWNUMN-UHFFFAOYSA-N 340.471 4.051 0 50 EIAA CSc1nc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c2ccccn12 170626797 TWEXETHHFCWMFC-LJQANCHMSA-N 341.480 4.019 0 50 EIAA CCc1cccc(C)c1Nc1nnc(Sc2nccc(C)n2)s1 170633251 RBCVSPOAJVEDGI-UHFFFAOYSA-N 343.481 4.402 0 50 EIAA CC[C@H](C)Oc1cc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)ccn1 186310255 BZQFGNJQXVEMQC-KGLIPLIRSA-N 340.423 4.119 0 50 EIAA Cc1ccc(C(=O)NCCc2ncc(C(F)(F)F)cc2Cl)cc1 225610810 GYPWLABNWGXIQD-UHFFFAOYSA-N 342.748 4.035 0 50 EIAA O=C(c1cc2cc(Cl)ccn2n1)N1CCC[C@@H]1c1cccs1 225797922 LMKKTQXDZKCRFP-CQSZACIVSA-N 331.828 4.027 0 50 EIAA N[C@H]1C[C@H](c2cc(NCCSC3CCCCC3)nc(C3CC3)n2)C1 243893527 ARPBJBWODGZSLS-SHTZXODSSA-N 346.544 4.037 0 50 EIAA FC(F)(F)c1cnc(Sc2nc(C(F)(F)F)n[nH]2)c(Cl)c1 261494932 VCKXYXQDNUBCCE-UHFFFAOYSA-N 348.659 4.042 0 50 EIAA C[C@H](NC(=O)Nc1ccsc1Cl)[C@H]1OCCc2sccc21 297871667 QEQLQGLUETZQTF-QPUJVOFHSA-N 342.873 4.287 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)NCc1ccc(Cl)c(Cl)c1 426574754 OIKTXXQLNMFUJO-ZDUSSCGKSA-N 345.270 4.094 0 50 EIAA CC(C)Cn1cncc1CNCc1nc(-c2ccc(F)cc2)cs1 952983773 QQYIBPGUTABNRJ-UHFFFAOYSA-N 344.459 4.092 0 50 EIAA C[C@H](C[C@@H]1CCOC1)Sc1nnc(-c2c[nH]c3ccccc23)o1 1775990168 DDNPIZIDIFLPIJ-NEPJUHHUSA-N 329.425 4.125 0 50 EIAA Cc1cc(NCc2cc(-c3ccccc3)n[nH]2)ccc1-n1ccnc1 1875317026 MTXXLPQXSVWBPC-UHFFFAOYSA-N 329.407 4.183 0 50 EIAA Cc1ncsc1-c1ccc(COC(=O)CCc2ccncc2)cc1 2325855423 ZEECHRJQALMJHJ-UHFFFAOYSA-N 338.432 4.190 0 50 EIAA COc1ccc(OC)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 101124 JBZRUNXUJZLWLU-UHFFFAOYSA-N 343.423 4.019 0 50 EIAA CCOc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2)cc1 144507 WYNRPLDVNIZCBS-LFYBBSHMSA-N 347.208 4.467 0 50 EIAA biogenic O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1 150552 DWFGGOFPIISJIT-UHFFFAOYSA-N 349.356 4.343 0 50 EIAA in-vivo Cc1cccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1C 413857 AZNOECLOEFHDTM-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 482336 NOYYCIQXJKAVHM-UHFFFAOYSA-N 339.174 4.042 0 50 EIAA COc1ccc(Cl)cc1NC(=O)NCCc1ccc(Cl)cc1 611043 GKJVEDCTGREBJT-UHFFFAOYSA-N 339.222 4.366 0 50 EIAA CCOc1ccc(N2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 1787893 GSKOYZPPPKAOJM-WJDWOHSUSA-N 343.379 4.465 0 50 EIAA Cc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1 2968774 UAOSMJIULPPIMF-UHFFFAOYSA-N 345.196 4.387 0 50 EIAA Clc1ccccc1COc1ccccc1CNC[C@H]1CCCO1 4657510 QSMRCCPFFQKYGZ-QGZVFWFLSA-N 331.843 4.188 0 50 EIAA c1ccc(CN2CC[C@@H](n3nc4ccccc4n3)c3ccccc32)cc1 5331658 LCTCEQKNYPLVQP-JOCHJYFZSA-N 340.430 4.431 0 50 EIAA Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cnnc2)cc1Cl 6702318 IKSFFUVFFHAYAG-UHFFFAOYSA-N 347.205 4.135 0 50 EIAA CCOc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)cc1C(C)C 6706898 MUNQETFEWZPPFK-UHFFFAOYSA-N 348.468 4.021 0 50 EIAA CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc4ccccc4c2)N3)C1 6857683 IUINVIYMRNRCMP-GOSISDBHSA-N 349.459 4.318 0 50 EIAA CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)o2)c1C 8234092 LZSOUXOLAIQWOI-UHFFFAOYSA-N 341.436 4.150 0 50 EIAA Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 13325807 BZMBNZWWPCTGIH-UHFFFAOYSA-N 338.207 4.273 0 50 EIAA CCOC(=O)C1(CC2CC2)CCN(Cc2ccc(SC)cc2)CC1 15065035 KAHQFNRZUXMVSU-UHFFFAOYSA-N 347.524 4.354 0 50 EIAA COc1cccc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)c1 15839823 CHMPQPQGUPCFKP-NRFANRHFSA-N 346.430 4.226 0 50 EIAA COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C(C)C 20614342 ULPBQLMEYSNORX-UHFFFAOYSA-N 343.814 4.428 0 50 EIAA CSc1ccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)cc1 20994906 XQOHQBPNPHAOTQ-SFHVURJKSA-N 344.499 4.302 0 50 EIAA Cc1cc(C[C@@H](C)n2cc(-c3ccccc3-c3ccco3)nn2)[nH]n1 91663091 ULGHNHHBPSTSQW-CQSZACIVSA-N 333.395 4.040 0 50 EIAA CCc1ccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)cc1 132068599 MOJFVLQGUNSNQH-ZDUSSCGKSA-N 327.409 4.274 0 50 EIAA O=C(c1cc2cc(F)ccc2s1)N1CCCCC[C@H]1c1ncon1 189607800 YBISTIPYPRPBPT-ZDUSSCGKSA-N 345.399 4.181 0 50 EIAA OC1CC(c2cc(NCC3(c4ccccc4)CCCCC3)ncn2)C1 222625718 IDKCGCIRJPVGPG-UHFFFAOYSA-N 337.467 4.029 0 50 EIAA O=C(c1cnc2ccccc2c1O)N1CCC[C@@H]1/C=C/c1ccccc1 253630316 CDWQEWCPLRGHKS-GZKZCVOOSA-N 344.414 4.258 0 50 EIAA COCC[C@@H](NCc1nc(C)c(C)o1)c1ccc(Cl)c(Cl)c1 284785623 NPLBQEWCTLMTCY-OAHLLOKOSA-N 343.254 4.466 0 50 EIAA C[C@@H](NC1CCC2(CC1)C(O)=Nc1ccccc12)c1ccncc1F 328776448 FOPMDFGMRDFAHC-WCGZIJFHSA-N 339.414 4.354 0 50 EIAA C[C@@H](Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc2n(n1)CCC2 414108108 LHBVOWAGKCKOAG-OAHLLOKOSA-N 347.466 4.202 0 50 EIAA CC(C)CC[C@@H](NC(=O)c1ccc(C(F)(F)F)c(O)n1)C(C)(C)C 668813499 HLVIXTLWJLMHFK-CYBMUJFWSA-N 346.393 4.387 0 50 EIAA FC(F)Oc1ccc(-c2noc(C[C@@H]3C[C@H]3c3ccccc3)n2)nc1 952845698 OUBAZSZSZIXAPP-JSGCOSHPSA-N 343.333 4.079 0 50 EIAA COc1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)o1 1358340082 SXOSDTCYXIWLLW-UHFFFAOYSA-N 344.754 4.381 0 50 EIAA Cc1ccc2oc(CN3CCCN(Cc4cccnc4)CC3)c(C)c2c1 1506397045 LUMZNEMEGAXRQN-UHFFFAOYSA-N 349.478 4.153 0 50 EIAA Cc1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc2cc3c(cc12)CCC3 1704311712 RKZNGPBHHLUDGC-KRWDZBQOSA-N 332.451 4.139 0 50 EIAA Cc1ccc(-c2cc(CN3CCC(c4ccnc(O)c4)CC3)on2)cc1 1772809620 ZCGCPLMRWJKFIC-UHFFFAOYSA-N 349.434 4.130 0 50 EIAA Cc1cc(C(F)(F)F)nn1CCN[C@@H](C)c1cccc2cccnc12 2325773858 NPUZMHHBJUUOAB-ZDUSSCGKSA-N 348.372 4.109 0 50 EIAA COc1ccc2c(c1)CCN(Cc1nc(C3CCC3)no1)[C@@H]2C(C)C 2325829655 OVUNXTXZJWXHLY-LJQANCHMSA-N 341.455 4.101 0 50 EIAA Cc1cc2[nH]c(C(=O)NCCc3nc(-c4ccccc4)oc3C)cc2o1 2325864240 JRNDVLIZPQPCIS-UHFFFAOYSA-N 349.390 4.005 0 50 EIAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 269375 AQAOHKDZIAZWJG-NSHDSACASA-N 349.839 4.231 0 50 EIAA COc1ccc(C2(CNC(=O)C3CCCCC3)CCCC2)cc1OC 618698 CHKDDGOTIOPAFG-UHFFFAOYSA-N 345.483 4.212 0 50 EIAA C[C@H](Oc1ccc(Br)cc1)c1nc(-c2cccnc2)no1 620993 ZGQIOUGNHVIKJJ-JTQLQIEISA-N 346.184 4.034 0 50 EIAA CCOc1cccc(OCCOCCOc2c(C)cccc2C)c1 2984211 JBDXLZBLPRFGBL-UHFFFAOYSA-N 330.424 4.177 0 50 EIAA CCCN(CCC)[C@H](C)C(=O)NCC1(c2ccccc2)CCCC1 2999424 SODFWAHNAQBQBK-GOSISDBHSA-N 330.516 4.125 0 50 EIAA CCc1cc(-c2n[nH]cc2Oc2ccc(F)cc2)c(O)cc1OC 4135806 BSVHZJOAJAVAFC-UHFFFAOYSA-N 328.343 4.285 0 50 EIAA O=S(=O)(NCCc1ccccc1)c1ccc(Cl)c2ccccc12 4269377 BYEHDKGPSSWHDI-UHFFFAOYSA-N 345.851 4.014 0 50 EIAA COc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1OC 4999063 PQQAJJTZRMMQOF-CQSZACIVSA-N 344.480 4.368 0 50 EIAA CCOc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 7058841 PEAJVWYQUUBYJC-LBPRGKRZSA-N 341.436 4.081 0 50 EIAA CSC[C@@H](C)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 11790000 DKGIOCKCPIYTJM-OAHLLOKOSA-N 329.513 4.316 0 50 EIAA O=C(O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 34612843 BTVXUNDDVUJORV-QFIPXVFZSA-N 345.442 4.385 0 50 EIAA Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1 38237880 WUDBUIUHVNECTM-UHFFFAOYSA-N 337.402 4.234 0 50 EIAA in-vitro Cc1ccc(-n2cc(O)c(-c3ccc(Br)cc3)n2)cc1 215850452 SDCGNIXPYMRMLV-UHFFFAOYSA-N 329.197 4.316 0 50 EIAA in-vitro c1ccc([C@H]2CCCCN2Cc2ccc(Cn3cccn3)cc2)nc1 216019055 BGRSOKNCSLCOJQ-OAQYLSRUSA-N 332.451 4.054 0 50 EIAA O[C@@H](COc1cccc2ccccc12)CN1CC[C@@H](c2ccccc2)C1 229787710 OWLWGTWFFKUJNX-NHCUHLMSSA-N 347.458 4.069 0 50 EIAA C[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)cc1Cl 237645635 TWCYVCOKCSXSIR-MEDUHNTESA-N 337.250 4.261 0 50 EIAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H]1c1ccc(Cl)cc1 241371253 MLRXYOFCYPMGIW-BZSNNMDCSA-N 341.838 4.426 0 50 EIAA c1ccc(CN(Cc2cc(-c3cccnc3)no2)C2CCCCC2)nc1 244707779 KHKGOGMSUXPJMB-UHFFFAOYSA-N 348.450 4.467 0 50 EIAA CCC[C@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 252463371 DSDSXWCTEZRXQP-QAPCUYQASA-N 342.508 4.325 0 50 EIAA Cc1cc(-c2ccnc(Cl)n2)ccc1CNC(=O)OC(C)(C)C 253496196 TXVKGHXLXODMEL-UHFFFAOYSA-N 333.819 4.130 0 50 EIAA Cc1cc(C)cc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 273329446 TXNMPJKWMVFOQI-PMACEKPBSA-N 341.426 4.435 0 50 EIAA Cc1ccc(C)c(-n2ncc(N[C@@H](C)c3cc4n(n3)CCC4)c2C)c1 414108004 KXOKKFITBNSWLJ-HNNXBMFYSA-N 335.455 4.113 0 50 EIAA C[C@H]1CN(c2ccc(N[C@@H](C)c3ccc(C(F)F)nc3)cc2)CCO1 850457882 PLKNEQSMSJVHLD-KBPBESRZSA-N 347.409 4.417 0 50 EIAA Cc1cc(Cc2nc(C(C)(C)c3cccc4ccccc34)no2)no1 904079063 AKLLNHFZUWGDRI-UHFFFAOYSA-N 333.391 4.436 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)[C@@H]1C[C@H]1c1ccc(Cl)cc1 1354839606 APLLLLFBWCVNOK-QWHCGFSZSA-N 332.856 4.418 0 50 EIAA CCc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@H]2c2ccccc2)c(C(=O)OC)c1 1360290816 ARJTURZTYRBZID-FASAQXTFSA-N 337.419 4.024 0 50 EIAA OC[C@H]1CC[C@H](Cn2ccnc2-c2cccc(C(F)(F)F)c2)CC1 1857709351 SJWCAPYGTYEDFI-HDJSIYSDSA-N 338.373 4.368 0 50 EIAA CCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCC(C)CC1)C[C@@H]3O 2084329521 ZVVOFCPHQJDMSM-HFXZKODQSA-N 342.435 4.429 0 50 EIAA Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCCC3 44744 XLUWDRNECAPOQW-UHFFFAOYSA-N 337.448 4.400 0 50 EIAA O=C(Nc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1 172576 JIXAVKHNSWAKPX-UHFFFAOYSA-N 334.350 4.330 0 50 EIAA O=C(Nc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 180530 RCCAMTUJQYPMED-UHFFFAOYSA-N 334.158 4.352 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccco1 464401 FVZWIHQXSNKCQW-UHFFFAOYSA-N 348.733 4.079 0 50 EIAA COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 621659 XYNAAHMZCALJER-NRFANRHFSA-N 347.414 4.223 0 50 EIAA CC(=O)N(c1ccccc1)C1CCN([C@H](C)Cc2ccccc2)CC1 1850113 OKTLVZBUKMRPLL-GOSISDBHSA-N 336.479 4.135 0 50 EIAA in-man COc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C)cc1 6147917 FMTCJBBHFZUMDI-UHFFFAOYSA-N 345.855 4.436 0 50 EIAA COc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccco2)CC3=O)cc1 10156638 FYWKNJRGGNEUNX-ZDUSSCGKSA-N 349.390 4.043 0 50 EIAA COc1cccc(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 12301839 ZOYCZHCTRUQZCE-IBGZPJMESA-N 338.451 4.029 0 50 EIAA O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@H]1c1ccco1 33012301 WZGCOTUKGNEPDL-HNNXBMFYSA-N 326.327 4.051 0 50 EIAA CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2nnc(C)o2)o1 65371413 IEMCQHCUMFNYEL-UHFFFAOYSA-N 334.379 4.112 0 50 EIAA Cc1nc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)c[nH]1 65396523 UEDZBTSRJRDAIJ-UHFFFAOYSA-N 343.434 4.361 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N(C)C3CCSCC3)c2c1 77472449 QNVQSGUVNJBWNP-UHFFFAOYSA-N 328.481 4.128 0 50 EIAA CCC[C@]1(CO)CCCN(Cc2cc(-c3ccc(C)cc3)no2)C1 91519375 GUAZXXIWVUMNGN-FQEVSTJZSA-N 328.456 4.025 0 50 EIAA Cc1cc(C)c(NC(=O)N[C@H](C)c2nc(C3CC3)no2)c(Cl)c1 96130347 OYDNATUZRGBFKZ-SNVBAGLBSA-N 334.807 4.100 0 50 EIAA Cc1ccc(C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C)cc1 100617621 JEPUGZUKMWWDRO-SUMWQHHRSA-N 327.811 4.017 0 50 EIAA CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCCC(C)(C)C2)c1 120319919 LTRBFFFKSXBEHK-UHFFFAOYSA-N 344.499 4.067 0 50 EIAA O=C(Cc1ccncc1)N[C@H](c1ccc(Cl)cc1)c1cccs1 121313231 VNDPTWZYSDQXIB-GOSISDBHSA-N 342.851 4.245 0 50 EIAA c1ccc([C@H]2C[C@H]2Sc2nnc(C3CC3)n2Cc2ccco2)cc1 170598596 NOGGOYIMPGMKMK-IAGOWNOFSA-N 337.448 4.445 0 50 EIAA CCCc1c(C(=O)N2CCC[C@]3(CC=CCC3)C2)[nH]c(C)c1C(C)=O 170626849 UDARPIIREVOCPT-OAQYLSRUSA-N 342.483 4.441 0 50 EIAA CC[C@H](NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1)c1cccs1 177435135 JHFQKAQWDOPFOT-STQMWFEESA-N 348.472 4.252 0 50 EIAA C[C@H](CNC(=O)C1(C)CCCCCC1)c1nc(-c2ccccc2)no1 181093436 GPBLPCQKWCLBOS-OAHLLOKOSA-N 341.455 4.317 0 50 EIAA C[C@H](c1ccon1)N(C)Cc1ccc(-c2nc3ccccc3n2C)o1 215298119 SACBPZJKWCYLIK-CYBMUJFWSA-N 336.395 4.014 0 50 EIAA O[C@]12CCCC[C@H]1CN(Cc1csc(Nc3ccccc3)n1)CC2 225428718 VVZSLQXGIPZXFA-KXBFYZLASA-N 343.496 4.014 0 50 EIAA CC(C)n1ncc2cc(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cnc21 239672477 BTFIHOWTGMEPDX-RLFYNMQTSA-N 340.471 4.101 0 50 EIAA CC(C)(C)c1cnc(CNc2ccc3c(c2)CCCC(=O)N3)s1 241409057 NEGGYXJJHCJVNS-UHFFFAOYSA-N 329.469 4.328 0 50 EIAA O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccnn1C1CCCC1 247841249 FPDPSYJYFOPFHU-UHFFFAOYSA-N 337.345 4.198 0 50 EIAA Cc1ccc(CC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 273296779 MHSJTXIFHOWXRD-FUHWJXTLSA-N 347.455 4.117 0 50 EIAA CC(=O)Nc1cc(NC(=O)c2cncc3ccccc23)ccc1Cl 357410062 GFWHWYXGRPHCFS-UHFFFAOYSA-N 339.782 4.099 0 50 EIAA O=C(Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)nc1 363963669 SMIZJHKJERFRGW-UHFFFAOYSA-N 333.269 4.008 0 50 EIAA CCC[C@@H](NC(=O)c1cccc(-c2ccncc2C)c1)c1nccn1C 426548543 PVMZDMLVZHZRSE-LJQANCHMSA-N 348.450 4.062 0 50 EIAA Fc1ccc2c(c1)[C@@H](N1CCC3(CC1)OCCc1ccsc13)CC2 492468239 UXLSKUZLXTVZQC-SFHVURJKSA-N 343.467 4.439 0 50 EIAA CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc3ncccc23)c1 513528790 PRLWKSKQAQMYJC-UHFFFAOYSA-N 333.391 4.144 0 50 EIAA O=S(=O)(Nc1cccc(C(F)F)c1)c1cccc(C(F)F)c1 780383533 YZPGXTFBMZZGQM-UHFFFAOYSA-N 333.306 4.363 0 50 EIAA O=C(CCCF)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 851032567 UVRMDGZEWYPATA-CQSZACIVSA-N 345.201 4.224 0 50 EIAA C[C@H](CCNC(=O)c1ccc(-c2ccccc2Cl)o1)n1ccnc1 952990350 UTTGOVDASINWIZ-CYBMUJFWSA-N 343.814 4.178 0 50 EIAA Cc1ccccc1SC1CCN(Cc2[nH]cc(C)c(=O)c2C)CC1 1506426670 UNLNYFQFCASIBY-UHFFFAOYSA-N 342.508 4.057 0 50 EIAA CN(C)Cc1ccc(Cn2ccnc2-c2ccc3cccnc3c2)cc1 1857708441 UOVKDXNDDIOKNX-UHFFFAOYSA-N 342.446 4.208 0 50 EIAA CCC[C@@H](C)c1nc(-c2cc3ccc(F)cc3[nH]2)n([C@@H]2CCOC2)n1 1875349134 NVRDGVOSXHJADT-IUODEOHRSA-N 342.418 4.431 0 50 EIAA O=C(Nc1ccc(C2CCCC2)cc1)c1ccccc1Cn1ccnn1 2325768098 HVOAVQMTJDCQND-UHFFFAOYSA-N 346.434 4.236 0 50 EIAA Cc1cnc([C@@H](C)NCc2cc3cc(Br)ccc3o2)[nH]1 2325773914 XWACTSNDLBTZEV-SNVBAGLBSA-N 334.217 4.078 0 50 EIAA CCc1ccc2nc(N3C[C@@H]4[C@@H](CCC[C@@]4(O)CC)C3)cc(C)c2c1 2356168129 QXROEBMYVPNRNA-KPLVRAHFSA-N 338.495 4.483 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(Br)cn1 621372 WCEIXCPCFYVGAD-UHFFFAOYSA-N 344.571 4.281 0 50 EIAA COc1ccc(C)cc1NC(=O)CCc1cccc(OC)c1Cl 4542839 VPQLCHXVSBZXKY-UHFFFAOYSA-N 333.815 4.237 0 50 EIAA Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(F)c1 4850484 UTIFFTIDEIZJEE-UHFFFAOYSA-N 338.338 4.232 0 50 EIAA COC(=O)c1ccccc1Sc1nc(SC)nc2sccc12 5743000 LJHPEDSNLFQQQG-UHFFFAOYSA-N 348.474 4.351 0 50 EIAA ClC(Cl)(Br)C(Cl)(Cl)Br 6827643 WJUKOGPNGRUXMG-UHFFFAOYSA-N 325.642 4.039 0 50 EIAA Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1cccs1)C2 9096279 UGTTZAKHMFHZCR-GFCCVEGCSA-N 348.431 4.031 0 50 EIAA CC[C@@H](C)CN1CCC2(CC1)C[C@H]2C(=O)Nc1ccc(SC)cc1 12200493 HZLYGAAAVCKYAP-QAPCUYQASA-N 346.540 4.495 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 14836128 QGPIBXBOKDQTOE-UHFFFAOYSA-N 336.435 4.264 0 50 EIAA CCCCC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O 64858254 UXGXCGPWGSUMNI-YLMOWEDUSA-N 336.472 4.158 0 50 EIAA in-vitro c1ccc(-c2cnn3cc(CN4CCC[C@H]4c4ccco4)cnc23)cc1 67820743 UDCMMVGNGXJYJB-IBGZPJMESA-N 344.418 4.326 0 50 EIAA Cc1nccn1-c1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 72117290 VPIILCIEBSAJTO-UHFFFAOYSA-N 340.814 4.156 0 50 EIAA C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72426992 HWQKSGQVGQJOFK-OAHLLOKOSA-N 343.442 4.362 0 50 EIAA Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)c2c1 77407081 YYZJQHBXGFGYBW-GOSISDBHSA-N 337.398 4.378 0 50 EIAA Cc1ccc(-c2csc3c(O)nc(-n4nc(C)cc4C)nc23)cc1 96511568 HZHCYBPREBGNFS-UHFFFAOYSA-N 336.420 4.175 0 50 EIAA CCn1cc([C@@H]2CC(=O)N(c3ccccc3C)C2=O)c2ccccc21 101374846 IPHAEAGNDSJSOY-INIZCTEOSA-N 332.403 4.017 0 50 EIAA CC(C)n1cc2cc(NC(=O)c3cccc4ncccc34)ccc2n1 135257376 KPSOZNYGVMROJA-UHFFFAOYSA-N 330.391 4.418 0 50 EIAA CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@H]1c1ccccc1 170613903 NOVGUZRHIRXEDL-CQSZACIVSA-N 335.190 4.133 0 50 EIAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1O 257350515 YATPIFKIZZKJFX-LDIHBYOFSA-N 334.500 4.322 0 50 EIAA Cc1nc2ccc(C(=O)N3CCC[C@H]3CC(=O)c3ccccc3)cc2o1 280379498 MOHDZNAELYTYPN-KRWDZBQOSA-N 348.402 4.014 0 50 EIAA CCc1ccc([C@H]2CCCN2C(=O)c2cc(F)c(O)c(Cl)c2)o1 331814208 KTXVALFFLXNWOG-CQSZACIVSA-N 337.778 4.317 0 50 EIAA CC[C@](C)(NCc1sncc1Br)c1nc(C)cs1 952882419 MFCQKFAOJQUBSR-LBPRGKRZSA-N 346.319 4.086 0 50 EIAA CCn1nc(C2CCOCC2)nc1[C@]1(c2ccccc2F)CC1(C)C 1857678405 XPUWEUUQPDUYLZ-HXUWFJFHSA-N 343.446 4.047 0 50 EIAA C[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)c1ccccc1 476677 NSKLYDSDBJZOBQ-CNELAYHGSA-N 330.225 4.340 0 50 EIAA O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3cccs3)N12 1035657 RTXCLWRWBGCUBW-QGZVFWFLSA-N 338.457 4.092 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1nnc(Cc2ccc(F)cc2)s1 1241590 JUYZFTFYLYADCZ-UHFFFAOYSA-N 346.362 4.051 0 50 EIAA O=C(/C=C/c1ccccc1)NCCSCc1ccc(Cl)cc1 2985901 IUJLVMUXQMJXAJ-DHZHZOJOSA-N 331.868 4.403 0 50 EIAA O=C(Nc1cccc2ccccc12)N1CCN(C2CCCCC2)CC1 4949606 QIJSXYUPAJELFZ-UHFFFAOYSA-N 337.467 4.322 0 50 EIAA O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1ccccc1F 36620912 QBDXECALDHBROM-HNNXBMFYSA-N 339.819 4.005 0 50 EIAA Cc1cccnc1C[C@@H](C)NC(=O)CSCc1ccccc1Cl 55119985 NVDRDKDGZPYFMQ-CQSZACIVSA-N 348.899 4.024 0 50 EIAA FC(F)(F)c1ccccc1CC[C@@H]1CCCN(Cc2c[nH]cn2)C1 71639356 RFOFOUQVOFJCTC-AWEZNQCLSA-N 337.389 4.273 0 50 EIAA Cc1ccc(C)c(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 72446811 OJEKIIRADBDBKS-UHFFFAOYSA-N 338.451 4.029 0 50 EIAA Cc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2cccc(C)c2n1 82120619 GURQRRNBRFGHMX-FQEVSTJZSA-N 346.430 4.065 0 50 EIAA Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@@H]2c2ccncc2)s1 135478312 ZNZRUDKVXVMCHQ-MRXNPFEDSA-N 344.484 4.414 0 50 EIAA Cc1cc([C@@H](C)NC(=O)c2cc(Cl)nc(N3CCCC3)c2)c(C)o1 170626228 LPNDDJDNFPDNOA-GFCCVEGCSA-N 347.846 4.036 0 50 EIAA CC[C@@H](c1ccccc1)S(=O)(=O)Cc1nc(-c2ccco2)oc1C 173939476 VNZYWMPJEKDNIH-KRWDZBQOSA-N 345.420 4.309 0 50 EIAA Cc1c(C(=O)O)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 299779814 RDBDABFPYFBWBY-CYBMUJFWSA-N 339.420 4.187 0 50 EIAA Cc1nc(C)c(CNC(=O)c2oc3c(C)ccc(C)c3c2C)s1 331801749 LXMZAUXQZRKYGC-UHFFFAOYSA-N 328.437 4.361 0 50 EIAA O=C(Nc1cncc(F)c1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 333277276 IGAXZWVFFGYUOP-MRXNPFEDSA-N 341.386 4.179 0 50 EIAA N=C(O)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)C1 333993319 LSIDVUFFUVRONF-KURKYZTESA-N 340.467 4.124 0 50 EIAA CC1(C)CC[C@@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)O1 492175685 LUTYAXXMXVAFJV-UXHICEINSA-N 335.447 4.118 0 50 EIAA CSc1cccc(CN(C)C(=O)N[C@@H](c2ccccn2)C(C)C)c1 534676867 ROZAQYPUZRSMAV-GOSISDBHSA-N 343.496 4.342 0 50 EIAA Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c(O)c1 675589434 VNEJNZJARQCOFJ-MRXNPFEDSA-N 336.391 4.209 0 50 EIAA Cc1cccc(-c2ccccc2C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c1 1704298094 FMYMFOSDSVVFJK-GGAORHGYSA-N 349.474 4.429 0 50 EIAA O=C(c1cccc2ncsc12)N1CCCC[C@H]1c1nccs1 1940194642 AYDQRMIJGFQLMM-ZDUSSCGKSA-N 329.450 4.120 0 50 EIAA COc1ccccc1CNC(=O)C1c2ccccc2Oc2ccccc21 30231 WMVLOKIBGZYEND-UHFFFAOYSA-N 345.398 4.249 0 50 EIAA biogenic O=C1c2ccccc2C(=O)N1C1c2ccccc2Oc2ccccc21 55222 VZUYLHKPQMDUCP-UHFFFAOYSA-N 327.339 4.178 0 50 EIAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 376328 PPWVXVHCWMSQBI-SNVBAGLBSA-N 325.742 4.333 0 50 EIAA Fc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 407846 IXNPJPYVTDJMHQ-JKSUJKDBSA-N 328.778 4.217 0 50 EIAA O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NC3CCCC3)ncc21 4741296 NKUZPBUFQXYRIH-LBPRGKRZSA-N 341.842 4.397 0 50 EIAA c1ccc(COc2ccc(-c3noc(-c4ccncc4)n3)cc2)cc1 6697211 DGASTQAVKYWYHP-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA CN(CCCC1CCCC1)C(=O)CCc1nnc(-c2ccccc2)o1 12718524 MQYDSPYKLDOSPB-UHFFFAOYSA-N 341.455 4.098 0 50 EIAA Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)NC1CCCCC1 13331368 SVJBUUXCBWLQAV-UHFFFAOYSA-N 344.434 4.142 0 50 EIAA CN1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cccnc3)c2)n1 19794884 LUSSMHQVVDUVTQ-HXUWFJFHSA-N 332.451 4.096 0 50 EIAA O=C(NCc1cccnc1Oc1ccccc1)C1(c2ccccc2)CC1 67855222 ZFSQTCXWJUZJNM-UHFFFAOYSA-N 344.414 4.222 0 50 EIAA CCc1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)[nH]n1 72457314 JPYHNJPGALDVCP-UHFFFAOYSA-N 335.407 4.037 0 50 EIAA CCn1c(C(=O)N[C@H]2CCCOc3ccccc32)cc2ccccc21 170608395 WDKRAZICDPSDEH-KRWDZBQOSA-N 334.419 4.305 0 50 EIAA Cc1ccc(NCC2=Cc3ccccc3OC2)cc1O[C@@H]1CCOC1 170653026 DVWFJKZIOZWTCI-LJQANCHMSA-N 337.419 4.051 0 50 EIAA O=C(Nc1ccncc1F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 189641300 ITIZZXBGKFKNFP-UHFFFAOYSA-N 342.267 4.049 0 50 EIAA CC(C)OCc1cccc(NC(=O)c2ccncc2C(F)(F)F)c1 193066567 RSLBUSFKDVZSNS-UHFFFAOYSA-N 338.329 4.278 0 50 EIAA O=C(Nc1ccc2cc[nH]c2c1)N(CCCO)[C@@H]1CCc2ccccc21 194275902 IKVLLGYLOAKSRL-HXUWFJFHSA-N 349.434 4.072 0 50 EIAA C[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 252013290 UBQOCBMGIIMPMR-SPYBWZPUSA-N 336.435 4.114 0 50 EIAA Cc1cccc(C2(CNC(=O)[C@H]3CCN(C)[C@@H](C)C3)CCCCC2)c1 253419451 SGDHBMROYUMTII-OALUTQOASA-N 342.527 4.043 0 50 EIAA Cc1noc(C)c1CCC(=O)N(C)c1ccc(-c2nccs2)cc1 408521699 IEYWLTLCOLITFK-UHFFFAOYSA-N 341.436 4.011 0 50 EIAA CC(C)c1ncc(-c2ccccc2S(=O)(=O)NC(C)(C)C)s1 426615213 VANUTXMRTXPEGL-UHFFFAOYSA-N 338.498 4.010 0 50 EIAA CC(C)Cc1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3)n2)c(O)n1 904227165 ABBRBPVMOQNHPV-DLBZAZTESA-N 335.407 4.307 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@H](C2CC2)O1 1529099089 QDYVRIMKQQVJPR-CZUORRHYSA-N 339.838 4.289 0 50 EIAA Cc1cccc2cc(-c3nccn3Cc3cc(C(C)C)on3)c(O)nc12 1857667386 IJAIMFOYYFMHMA-UHFFFAOYSA-N 348.406 4.272 0 50 EIAA O=C(NC[C@@H]1OCCc2ccccc21)c1ccc(Cl)cc1Cl 68475 FCXSSFDHXPPVLE-INIZCTEOSA-N 336.218 4.037 0 50 EIAA COc1ccc(-n2c(-c3ccccc3F)nc3ccccc3c2=O)cc1 127368 UVACZSKQRZXZQA-UHFFFAOYSA-N 346.361 4.200 0 50 EIAA CCC(=O)Oc1ccc2ccccc2c1CNC(=O)c1ccccc1 301183 VGCIPXZUYXDFLB-UHFFFAOYSA-N 333.387 4.085 0 50 EIAA CCOC(=O)c1cc(C)sc1NC(=O)c1csc(C)c1CC 373560 NUOMTNBQOZMJCP-UHFFFAOYSA-N 337.466 4.418 0 50 EIAA Cc1ccc2oc(=O)n(CCOc3ccc(C(C)(C)C)cc3)c2c1 611083 PRBXHMPMHDDOOU-UHFFFAOYSA-N 325.408 4.279 0 50 EIAA CC(C)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1 2877222 RDUFTEHFBAOJIP-UHFFFAOYSA-N 337.872 4.080 0 50 EIAA COc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(OC)c1 5675602 IGIUZTABRMASDR-UHFFFAOYSA-N 335.447 4.264 0 50 EIAA C=CN1CC[C@@H](C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1=O 6658253 SUVSFHWVUMCRSK-KRWDZBQOSA-N 342.398 4.077 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)C[C@H]2C)cc1 6714879 CWPBXBLBOHQYOY-OAHLLOKOSA-N 343.858 4.391 0 50 EIAA Cc1nnc(Nc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc12 6921951 USGPHEOHHWNVKL-UHFFFAOYSA-N 346.434 4.308 0 50 EIAA CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)c1)CC(=O)N2 7342049 WIFXFCPBUNMYBM-OAHLLOKOSA-N 325.408 4.267 0 50 EIAA CC(=O)Nc1cccc(NC(=O)c2csc3c2CC[C@H](C)C3)c1 13326798 OKEXRRVPSOXDEP-NSHDSACASA-N 328.437 4.084 0 50 EIAA O=C(Nc1ccc(C(=O)c2ccncc2)cc1)OCc1ccccc1 15108918 IHVVRBWDEHYIFG-UHFFFAOYSA-N 332.359 4.061 0 50 EIAA COc1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1 36620598 IKZUPIFPDKDJJJ-SFHVURJKSA-N 344.386 4.212 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)N[C@H](C)c1nc2c(s1)CCCC2 91726109 OUQYFZYYAHQJBW-LLVKDONJSA-N 349.525 4.401 0 50 EIAA C=CC(=O)Nc1cc(NC(=O)c2cc3cccc(F)c3o2)ccc1F 136621235 BMXOSBRGRDCEGU-UHFFFAOYSA-N 342.301 4.088 0 50 EIAA Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)sc1-c1cccc(Cl)c1 170868256 ASJVSLAPZWGLRC-OAHLLOKOSA-N 348.899 4.153 0 50 EIAA Cc1nc(C)c(C(=O)Nc2nc3ccccc3n2C2CCCCC2)o1 172731329 VDPGRIVVAWDYKL-UHFFFAOYSA-N 338.411 4.399 0 50 EIAA CC(C)(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(n3ccnc3)CC2)CC1 187052343 ZBDVFUVRDVAACO-SJORKVTESA-N 346.519 4.225 0 50 EIAA O=C(NC1(CCO)CCCC1)c1ccc(Oc2cccc(F)c2)cc1 241965596 UUDGCUHRLRVDEP-UHFFFAOYSA-N 343.398 4.043 0 50 EIAA c1ccc(Oc2ccc(CN[C@H]3CCO[C@@H]3c3cccnc3)o2)cc1 285150742 TWJYLCJNAFIUFW-AZUAARDMSA-N 336.391 4.087 0 50 EIAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cccc2cc[nH]c12 468525753 ZNUXFRJLEJCNHS-MRXNPFEDSA-N 334.419 4.026 0 50 EIAA O=C(O)c1cccc(CN2CCCCC[C@H]2/C=C/c2cccs2)n1 902527071 DLIKHLHJVLIDSN-OFAQMXQXSA-N 342.464 4.299 0 50 EIAA Cc1noc(C)c1[C@H](C)CNC(=O)c1ccnc2cc(Cl)ccc12 935044281 ZKCKDILOIPQEAE-SNVBAGLBSA-N 343.814 4.027 0 50 EIAA COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)ccc1O 952966247 GLKBGDUPQISRFC-UHFFFAOYSA-N 331.799 4.115 0 50 EIAA COc1ccc(CN[C@@H](CC(C)(C)C)c2cccnc2)cc1C(=O)O 952966872 GFVIYODLEWQNSG-KRWDZBQOSA-N 342.439 4.056 0 50 EIAA FC(F)(F)c1cccc(CNCCN2CC[C@H](c3ccccc3)C2)c1 1506419507 DJQCPJYYMTUKJO-SFHVURJKSA-N 348.412 4.285 0 50 EIAA COc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2C)cc1 1775971206 KKAVBWFUOBOTLR-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA FC(F)(F)Oc1ccc(-c2nccn2CC[C@@H]2CCCOC2)cc1 1857676874 UXJBRNYBHJALSV-ZDUSSCGKSA-N 340.345 4.265 0 50 EIAA CCOc1cc(C)c(CN2CCN(C3CC3)C[C@@H]2C)cc1C(C)C 2100541063 UIIBQGSYNQBISH-KRWDZBQOSA-N 330.516 4.186 0 50 EIAA Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc2ccccc12 102482 QMYBNTGTTISPGY-UHFFFAOYSA-N 326.396 4.413 0 50 EIAA COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1 359166 XGFFXBAJUGHUPW-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA COC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CC[C@@H](C)C2 483973 XDYCFCOAZXAOBK-SNVBAGLBSA-N 349.496 4.280 0 50 EIAA COc1ccc(OC)c([C@H](C)NC(=O)c2cccc3ccccc23)c1 509804 HFYBFMSJGVNMCW-AWEZNQCLSA-N 335.403 4.348 0 50 EIAA Cc1ccc(OC(=O)COc2ccc(Br)cc2C)c(C)c1 587197 AEZKTJPRNGJXKA-UHFFFAOYSA-N 349.224 4.359 0 50 EIAA CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCC 1218950 WCSWQCKWXIGEJF-UHFFFAOYSA-N 347.386 4.274 0 50 EIAA CCCOc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1OC 2117791 VSIAXFYXMXWNJU-UHFFFAOYSA-N 333.815 4.319 0 50 EIAA CCC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@@H]2C 4029255 OPDBPJWZYLLHKS-KQICIXRFSA-N 344.451 4.141 0 50 EIAA biogenic CCc1ccc(-c2nn(-c3ccccc3)cc2CSC(=N)N)cc1 4724623 GFICLCROZVLVCW-UHFFFAOYSA-N 336.464 4.228 0 50 EIAA C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1nccs1 8391718 CRHWHLKHKHFLMO-QMMMGPOBSA-N 343.271 4.025 0 50 EIAA Cc1oc(-c2ccc(F)cc2)nc1CN(C)[C@@H](C)c1nccs1 11934006 OLKZCNWBQSKZAQ-NSHDSACASA-N 331.416 4.439 0 50 EIAA CC[C@H](C)CCCOC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F 43198771 CVDVLBUUDPPNJU-BBRMVZONSA-N 332.362 4.460 0 50 EIAA Cc1cccc([C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1 77456005 WPQNSBCLJASIGR-FQEVSTJZSA-N 345.446 4.201 0 50 EIAA COCCC[C@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1Cl 95371387 RJVRHQYELOVPIW-CYBMUJFWSA-N 334.847 4.243 0 50 EIAA Cc1sc2nc(-c3ccc[nH]3)[nH]c(=O)c2c1-c1ccc(F)cc1 134471948 KGZZIKDQFFOAQC-UHFFFAOYSA-N 325.368 4.094 0 50 EIAA CC(C)(C)c1ccc(Br)c(I)c1 136293702 WUALLSLVZKGQFW-UHFFFAOYSA-N 339.014 4.351 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@@H]1C1CCCC1 170631252 IHNAWVBPGOALLC-RCCFBDPRSA-N 336.520 4.192 0 50 EIAA O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(F)c2ccccc12 393186519 WSIQKVMCHAFQET-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA CC[C@@H]1CCCN1C(=O)NCc1ccccc1OCc1ccccc1 517713101 LFCOFDLRTNPNTP-LJQANCHMSA-N 338.451 4.350 0 50 EIAA CC(=O)c1ccc(N2CCC[C@@H](c3ncccn3)C2)cc1C(F)(F)F 895225394 DTEFWCXPBIVNCM-CYBMUJFWSA-N 349.356 4.082 0 50 EIAA Cc1cc(F)ccc1N1CCC(N[C@@H](C)c2ccc(O)cc2)CC1 1506423714 HJNYDRZDQJYKFH-HNNXBMFYSA-N 328.431 4.159 0 50 EIAA CCCn1nc(C)cc1NC(=O)C(C)(C)Oc1cccc(C)c1C 1529102101 VYFXGKQNHWBPFW-UHFFFAOYSA-N 329.444 4.014 0 50 EIAA COc1ccccc1/C=C/c1nn2c(CSC(C)C)nnc2s1 1775972304 UJQLUKYBDLKIMN-CMDGGOBGSA-N 346.481 4.006 0 50 EIAA Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1 5752 GXQCVUZORDAARJ-UHFFFAOYSA-N 325.721 4.339 0 50 EIAA O=C1C[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C2(CCCCC2)O1 33732 ZZDDBBZBNGACOV-JTQLQIEISA-N 342.222 4.198 0 50 EIAA biogenic CC(C)(C)c1ccc(CC[C@H]2OC[C@@H](CN3CCCCC3)O2)cc1 171791 VVQPTNXUXFFVHA-UXHICEINSA-N 331.500 4.144 0 50 EIAA Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 246067 XGRVQGBXNPZNRZ-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA COc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1F 307229 KXFBGXIMFCIXJE-UHFFFAOYSA-N 345.439 4.185 0 50 EIAA CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1C(=O)OC 311563 NROSUHKRBPSKKD-UHFFFAOYSA-N 337.828 4.311 0 50 EIAA Cn1nc(-c2ccccc2)c(CO)c1Oc1cccc(C(F)(F)F)c1 1388787 BDYYSWLLJJAPKD-UHFFFAOYSA-N 348.324 4.391 0 50 EIAA Cc1cc(Br)ccc1OCCCCN1CCCCC1 3003404 JTYGCCQWYOUEAE-UHFFFAOYSA-N 326.278 4.402 0 50 EIAA Oc1ccc(CNc2cccc(Br)c2)c2cccnc12 3105071 LDWSQVIRIOHXTN-UHFFFAOYSA-N 329.197 4.315 0 50 EIAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1C 12435244 YXSNMOIIPOPFEK-QGZVFWFLSA-N 344.405 4.298 0 50 EIAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)c1 15076971 HVIATMRXPYHCAK-FQEVSTJZSA-N 332.451 4.051 0 50 EIAA COc1cc(CN2CCCC2)ccc1Oc1cccc(C(C)=O)c1 67850433 BEBBJRDPSHGNBU-UHFFFAOYSA-N 325.408 4.286 0 50 EIAA Cc1c[nH]c(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)c1 71575231 PSCKKPHFPFUGIG-AWEZNQCLSA-N 332.394 4.086 0 50 EIAA O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@H](c2ncc[nH]2)C1 75555956 XWIATFINYPKAGL-QGZVFWFLSA-N 347.418 4.222 0 50 EIAA Cc1cccc2cc(C(=O)N3CC(Oc4ccccc4Cl)C3)oc12 95383239 LZNNBAVWHHSTPU-UHFFFAOYSA-N 341.794 4.298 0 50 EIAA O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1cc(F)ccc1Cl 113047817 XFKYQQZRKBNOGF-UHFFFAOYSA-N 348.736 4.454 0 50 EIAA COCc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 115245326 AQCLCOZAQJKJPW-UHFFFAOYSA-N 336.844 4.003 0 50 EIAA O=C(O)c1cc2c(OCc3ccccc3)ccc(Br)c2[nH]1 146884799 AMLYSFHZYDPOAH-UHFFFAOYSA-N 346.180 4.208 0 50 EIAA Cc1cc(F)cc2[nH]c(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)cc12 170631064 LXNHWEMYAUOYTE-ACJLOTCBSA-N 346.446 4.187 0 50 EIAA Cn1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c2ccccc21 220963467 ILJOAIZJDMAXCD-UHFFFAOYSA-N 335.432 4.022 0 50 EIAA CO[C@@H](CSCc1noc(-c2scnc2C)n1)c1ccccc1 252496357 PHNJDMDRQPYTCM-ZDUSSCGKSA-N 347.465 4.122 0 50 EIAA CC(C)(CO)[C@H](NCCOc1ccc(Cl)cc1)c1cccs1 253429200 MKCUYRBVBBZSRE-MRXNPFEDSA-N 339.888 4.130 0 50 EIAA Cc1cccnc1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C1CC1 299759432 RHBOYYLKVHARFF-SFHVURJKSA-N 348.368 4.219 0 50 EIAA NC[C@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)cc2)C1 426387686 NCKOZOBSUISYGG-GFCCVEGCSA-N 349.261 4.081 0 50 EIAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc2ccccc2cn1 828215153 MPCSQZLLIBVHAV-IBGZPJMESA-N 348.402 4.045 0 50 EIAA Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 888904056 HCQLNTHKIBOAGN-FUHWJXTLSA-N 337.467 4.144 0 50 EIAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3csc4ccccc34)C[C@H]2C1 1529158382 BDVUNWILSCBOMM-GEEKYZPCSA-N 342.508 4.092 0 50 EIAA O=C(O)c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1 341520 KFVGZZOPPLKTMG-UHFFFAOYSA-N 345.398 4.024 0 50 EIAA COc1ccc(OC)c(NC(=O)/C=C/c2c(F)cccc2Cl)c1 375453 SETFHXISVXZZTI-VQHVLOKHSA-N 335.762 4.148 0 50 EIAA Cc1sc(NC(=O)/C=C/c2ccco2)c(C(=O)OC(C)C)c1C 474812 NXIPUDKWAFEDDR-BQYQJAHWSA-N 333.409 4.175 0 50 EIAA COc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)c(OC)c1 1075867 CJAGNOBAFAJICM-UHFFFAOYSA-N 339.391 4.248 0 50 EIAA Cc1c(NC(=O)CSCc2ccccc2Cl)cccc1C(=O)O 1124909 ZJLXTMMSEXZXHE-UHFFFAOYSA-N 349.839 4.219 0 50 EIAA Cc1ccc([C@@H](OCCN(C)C)c2ccc(Br)cc2)cc1 1999805 PENMVPDWHVWJAC-GOSISDBHSA-N 348.284 4.425 0 50 EIAA COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 2827917 ZVRUHBVLQNTQTR-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA biogenic C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 4834407 ORWSNLDVZRVOAX-RFAUZJTJSA-N 338.190 4.160 0 50 EIAA CCCCCC[C@H](C)OC(=O)CCn1c(=O)sc2ccccc21 5502428 XUYFLVUMCJHGRW-AWEZNQCLSA-N 335.469 4.355 0 50 EIAA Brc1cccc(-c2noc(CCc3ccccc3)n2)c1 6697811 WJEXXTATOOAWNH-UHFFFAOYSA-N 329.197 4.284 0 50 EIAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 7057299 NHADPNJLVYWXHQ-ZDUSSCGKSA-N 349.452 4.018 0 50 EIAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1 8160924 LZQCCCYCMFTPRF-KRWDZBQOSA-N 331.799 4.150 0 50 EIAA COc1ccc(CN(C(=O)/C=C/c2cccc(F)c2)C2CC2)cc1 12158398 ATUQWDDWQUZQNC-KPKJPENVSA-N 325.383 4.039 0 50 EIAA CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F 12192925 IGNYMMFIMJRHLT-UHFFFAOYSA-N 339.414 4.139 0 50 EIAA CC[C@@H](C)NC(=O)c1csc2nc(-c3ccccc3Cl)cn12 12298306 JCPZEQRAROCUOQ-SNVBAGLBSA-N 333.844 4.245 0 50 EIAA N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(Cl)cc1 17068490 ZLPGTELEOLOWOI-UHFFFAOYSA-N 333.174 4.471 0 50 EIAA Fc1cccc(Cl)c1CN1CCN(C/C=C/c2ccccc2)CC1 19635147 JJCWWRQWYGCWAZ-VMPITWQZSA-N 344.861 4.310 0 50 EIAA FC(F)(F)CCCN1CCC(n2cc(C3CCCCC3)nn2)CC1 55153778 YHCNZGSSVOQZJQ-UHFFFAOYSA-N 344.425 4.305 0 50 EIAA Cc1ccccc1-c1cccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 67690821 GQKBVJYQHMQIDS-IBGZPJMESA-N 345.446 4.405 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc3c(C)c(C)ccc23)on1 77353392 LGLYYTBJAOFLFP-SFHVURJKSA-N 349.434 4.434 0 50 EIAA CCOc1ccccc1CN(C)C(=O)c1[nH]c2ccc(C)cc2c1C 91548595 ROSCCJOJDCBXBT-UHFFFAOYSA-N 336.435 4.456 0 50 EIAA CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@H]1[C@H]2C 136693540 ABFSDSQOZYJGJO-FMHGPMKYSA-N 347.455 4.320 0 50 EIAA CO[C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(Oc2nccs2)c1 225453825 SHMPGOQNHITHRM-JKSUJKDBSA-N 346.452 4.013 0 50 EIAA COc1cccc2sc(NC(=O)[C@H](c3ccncc3)C(C)C)nc12 225748022 BNIMJOYGNUCGMT-HNNXBMFYSA-N 341.436 4.078 0 50 EIAA C[C@@H]1CN(C(=O)Nc2nccn2-c2ccccc2)[C@@H]1c1ccccc1 252496620 PNBTVGLPNMMFJB-QAPCUYQASA-N 332.407 4.097 0 50 EIAA Cc1cccnc1[C@@H]1CCC[C@H](Nc2cccc(-c3nncn3C)c2)C1 281650313 PQGSUWHKFZALIF-AEFFLSMTSA-N 347.466 4.324 0 50 EIAA Cc1nsc(C)c1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 328939274 RYGHZVUWSQXPPQ-AWEZNQCLSA-N 341.436 4.269 0 50 EIAA C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)c1cncc(F)c1 390833289 FSKSCHUGHUYWKL-MRVPVSSYSA-N 346.711 4.384 0 50 EIAA COc1cc(-c2noc(/C=C/c3ccccc3Cl)n2)ccc1O 436787119 UXROMOBAENPDCO-VQHVLOKHSA-N 328.755 4.275 0 50 EIAA COc1ccc2c(c1)[C@@H](C)N(Cc1ccc(-c3cc[nH]n3)s1)CC2 824751105 PKHKRQXGIDIHCF-CYBMUJFWSA-N 339.464 4.266 0 50 EIAA CCOc1ccc(-c2nccn2CC[C@H]2CCCOC2)cc1Cl 1857676475 IEDCZDQPQJYFFM-CQSZACIVSA-N 334.847 4.419 0 50 EIAA C[C@@H](NC(=O)c1ccnc(NC2CCCC2)c1)c1cccc(F)c1 2325737862 JUSOCJGYDKUHEU-CYBMUJFWSA-N 327.403 4.066 0 50 EIAA Brc1cnc2[nH]cc(-c3csc(N4CCCC4)n3)c2c1 2325756063 KLSWGXOPJQNOCF-UHFFFAOYSA-N 349.257 4.049 0 50 EIAA Fc1cc(CN(CCc2ccccc2)[C@@H]2CCOC2)c2occc2c1 2325870314 SFZFMSXMEKSLKO-HXUWFJFHSA-N 339.410 4.406 0 50 EIAA O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2ccccc2)N1Cc1ccccc1 1660061 LSWFEKFANVJTSQ-SVGJNIJCSA-N 341.410 4.005 0 50 EIAA O=C(Nc1ccc(Cl)cc1)Nc1nnc(Cc2ccccc2)s1 8769697 LCWNKOCMLMKPTR-UHFFFAOYSA-N 344.827 4.426 0 50 EIAA Cc1ccc(NC(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)c(C)c1 11821945 KIERXGGUOJFSBP-HNNXBMFYSA-N 349.438 4.075 0 50 EIAA Cc1cc(S[C@H](C)C(=O)NC2CCCCC2)nc2ccccc12 11907445 YLJSGNXWIUWHHA-CQSZACIVSA-N 328.481 4.473 0 50 EIAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 13678151 OAMRQKIHYVJPOS-INIZCTEOSA-N 338.451 4.013 0 50 EIAA Brc1ccc2sc(I)cc2c1 15042988 GXOJIGFIISCLSK-UHFFFAOYSA-N 338.995 4.268 0 50 EIAA C[C@@H]1CN(C(=O)c2sc3cccc(Cl)c3c2Cl)C[C@@H](C)O1 16580444 YPJQTWUTFIAZJE-RKDXNWHRSA-N 344.263 4.458 0 50 EIAA CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@H]1C/C=C\CCCC(=O)O 27640144 CTHZICXYLKQMKI-UKUWKSPLSA-N 336.472 4.280 0 50 EIAA in-vitro Cc1cc(NC(=O)Nc2ccc3nc(C)oc3c2)c2ncccc2n1 33964216 BGGKKLOCMASTLG-UHFFFAOYSA-N 333.351 4.032 0 50 EIAA COc1ccccc1-c1cccc(C(=O)N[C@H](C)Cc2ccccn2)c1 65490427 PNSKNBFRXHNVKS-MRXNPFEDSA-N 346.430 4.118 0 50 EIAA COc1cc(F)c(CN2CCC[C@H]2c2ccc(F)cc2)cc1OC 72166777 WYJLJZKUFFVKID-KRWDZBQOSA-N 333.378 4.319 0 50 EIAA Cc1ncsc1CCN(C)C(=O)C1c2ccccc2-c2ccccc21 72420432 OQJBEKSIFAIOEP-UHFFFAOYSA-N 348.471 4.265 0 50 EIAA CN(C)c1ccccc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 77504125 ODXKOSCGVLVDPP-GOSISDBHSA-N 326.415 4.259 0 50 EIAA CCc1cccc(OC2CN(C(=O)c3cc(C)nc4ccccc34)C2)c1 82127536 HQEAANATSYJYPY-UHFFFAOYSA-N 346.430 4.009 0 50 EIAA Cc1nnsc1CN(C)C(=O)c1ccc(-c2ccccc2Cl)o1 92061932 BTVQNALAKIMCFX-UHFFFAOYSA-N 347.827 4.032 0 50 EIAA CC(=O)N1CCC[C@H](c2nc(-c3cc(F)ccc3F)c(C)s2)C1 127800621 JHYZBWUUGFLZOJ-LBPRGKRZSA-N 336.407 4.123 0 50 EIAA CC(F)(F)c1cccc(NC(=O)C[C@@H]2OCCc3ccccc32)c1 189376402 OKRDLVZLFAVGPP-KRWDZBQOSA-N 331.362 4.441 0 50 EIAA c1ccc2sc([C@H]3CCCN3Cc3ncc(C4CC4)o3)nc2c1 239366876 AGMFMKGAXILCGC-CQSZACIVSA-N 325.437 4.499 0 50 EIAA Cc1ccc(CN(C)C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)nc1 252500206 SPBSOOAFNYWHPT-HXUWFJFHSA-N 337.467 4.342 0 50 EIAA CC(C)C(=O)Nc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 827621760 NYHXGIOYYGZIEA-LJQANCHMSA-N 336.435 4.089 0 50 EIAA CC(C)c1cccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1 1529196721 FMYJKTJPKZQRNL-FGYAAKKASA-N 328.500 4.001 0 50 EIAA c1ccc([C@H]2C[C@@H]2c2noc(-c3csc([C@H]4CCCO4)n3)n2)cc1 1875286110 LYCFYRWDSXGYTL-VNHYZAJKSA-N 339.420 4.316 0 50 EIAA CN(C(=O)[C@H]1[C@H]2CC[C@@]1(c1ccnn1C1CCC1)C2)C1CCCCC1 1875393201 JBWCZLATLVCOEM-DLVCFXQMSA-N 341.499 4.067 0 50 EIAA Cc1sc(NC(=O)[C@H]2CCCO2)nc1C12CC3CC(CC(C3)C1)C2 1940194982 GQQVZDONNAODKB-BCFZYGEVSA-N 346.496 4.037 0 50 EIAA O=C(Cc1cccc2ccncc12)O[C@H]1C[C@@H](OCc2ccccc2)C1 2325855613 IAXRBYXTHFZSPH-BGYRXZFFSA-N 347.414 4.068 0 50 EIAA FC(F)(F)c1coc(CN(CCc2ccccc2)[C@H]2CCOC2)c1 2325870358 UDOGJTWCOBIWQC-INIZCTEOSA-N 339.357 4.132 0 50 EIAA C[C@H]1Cc2cc(CN3CC(C)(C)O[C@]4(C[C@H]5CC[C@H]4C5)C3)ccc2O1 2325871592 RBJHIPDAACJKCD-FWJAZRMLSA-N 341.495 4.180 0 50 EIAA CC1(C)C[C@H](C(=O)NCC[C@H](c2ccccc2)c2ccco2)CCO1 215894 ARBAYEJQTAMILF-QZTJIDSGSA-N 341.451 4.123 0 50 EIAA biogenic Cc1c(NC(=O)c2ccccc2)cccc1-c1nc2ncccc2o1 294847 HLYBRJCFLMDZSZ-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2ccccc2c1 384226 SUFAFPUIUAUDQQ-UHFFFAOYSA-N 337.444 4.290 0 50 EIAA Cc1ccc(C(C)C)c(OCC(=O)NC2C3CC4CC(C3)CC2C4)c1 471121 CRKARPMXYGUSOJ-UHFFFAOYSA-N 341.495 4.438 0 50 EIAA O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1 475455 CXLRPSXILQIZLS-UHFFFAOYSA-N 343.379 4.419 0 50 EIAA Cc1sc2[nH]c(=S)n(C/C=C/c3ccccc3)c(=O)c2c1C 567572 SHLLEJQFEXBUHQ-RMKNXTFCSA-N 328.462 4.451 0 50 EIAA CC1=CC(C)(C)N2C(=O)[C@]3(Nc4ccccc4CO3)c3cc(C)cc1c32 1063119 OXBAXDSHHKIODY-QFIPXVFZSA-N 346.430 4.332 0 50 EIAA COc1ccc(NC(=O)CCCOc2cc(C)ccc2C)c(OC)c1 1779256 NJJBAEBEBOMKTO-UHFFFAOYSA-N 343.423 4.118 0 50 EIAA Cc1cc(OCCOCCNCc2ccccc2)ccc1C(C)C 2822401 KAOSDDZQSNVTFJ-UHFFFAOYSA-N 327.468 4.304 0 50 EIAA CCSc1nnc(NC(=O)c2oc3ccc(F)cc3c2C)s1 3612298 MXAZTDWBGGGHOY-UHFFFAOYSA-N 337.401 4.096 0 50 EIAA O=C(Nc1ccc(F)cc1)Nc1cccc(-c2cn3cccnc3n2)c1 4626134 YFDLSJVNERFVNK-UHFFFAOYSA-N 347.353 4.179 0 50 EIAA CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1 6349562 ROAQTVUIVUPRIF-UHFFFAOYSA-N 345.453 4.062 0 50 EIAA Cc1ccc(CNc2cc(C)nc3nc(-c4cccc(C)c4)nn23)cc1 8609641 BRYIYACETOPSFH-UHFFFAOYSA-N 343.434 4.329 0 50 EIAA COc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c(F)c1 12112235 YLHGBPLRXASQCP-CQSZACIVSA-N 339.414 4.179 0 50 EIAA CCOC(=O)C1(CC2CC2)CCN(Cc2ccccc2Cl)CC1 12228295 SGOVJHZUBXLNRA-UHFFFAOYSA-N 335.875 4.285 0 50 EIAA COC(=O)c1sccc1NC(=O)c1cccc(Cl)c1Cl 13326480 SCXMEZFKVKDKBI-UHFFFAOYSA-N 330.192 4.094 0 50 EIAA Cc1ccc2c(c1)cc(CNCc1cc3ccccc3s1)c(=O)n2C 23128569 BXNQPXXGFQZVQW-UHFFFAOYSA-N 348.471 4.351 0 50 EIAA COc1ccc(CCNc2nc(C(F)(F)F)nc3ccccc23)cc1 32544601 MQJVLHRLSGYPHB-UHFFFAOYSA-N 347.340 4.312 0 50 EIAA COc1cccc2ccc(-c3ccccc3CN3CCC(=O)CC3)nc12 32593162 IAYPJDHCGCMCOG-UHFFFAOYSA-N 346.430 4.075 0 50 EIAA CCCn1cc(-c2ccnc(N[C@H](C)c3ccc(F)cc3)n2)c(C)n1 48393854 XDJYHSGGVZIBMK-CYBMUJFWSA-N 339.418 4.371 0 50 EIAA Cc1ccc2oc(N3CCN(Cc4cc(C)c(C)s4)CC3)nc2c1 65525860 JMECNLONDYFJER-UHFFFAOYSA-N 341.480 4.137 0 50 EIAA Cc1cccc([C@@H](Nc2nccc(-c3ccc(C)nc3C)n2)C2CC2)n1 71589523 YBRGNBLMMUWBJT-FQEVSTJZSA-N 345.450 4.422 0 50 EIAA CCNC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 72144308 DFDHIZUHLYCZBQ-ZDUSSCGKSA-N 328.378 4.080 0 50 EIAA Cc1cc(N(C)Cc2cc(-c3cccnc3)no2)c2ccccc2n1 77439802 SHFHUZOTEJXPST-UHFFFAOYSA-N 330.391 4.230 0 50 EIAA CCc1nc([C@@H](C)Nc2ccc3c(c2)C(=O)NC3)oc1-c1ccccc1 124880554 MFGZZTVPODVPIY-CYBMUJFWSA-N 347.418 4.321 0 50 EIAA CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@]1(c2ccccc2)CCCCC1=O 170605977 XGRVPMCVBKYGMQ-MZKRTTBSSA-N 347.458 4.287 0 50 EIAA Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1Cc2ccccc2O1 182103866 SKQYHNMEQHSHIX-INIZCTEOSA-N 336.416 4.061 0 50 EIAA COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)o1 241171028 KDRKSZNCOAVDBT-RCCFBDPRSA-N 343.398 4.032 0 50 EIAA CCCN(C(=O)Nc1ccc(C)c2ncccc12)[C@@H]1CCCC[C@H]1O 426551383 UZELVFPKMKPYHQ-QZTJIDSGSA-N 341.455 4.091 0 50 EIAA CSc1ccccc1CC(=O)OCc1cc(-c2ccccc2)no1 777162146 CPVONLFBVDEQJV-UHFFFAOYSA-N 339.416 4.349 0 50 EIAA CCc1nc(OC)ccc1NC(=O)N1CCC[C@@H]1c1cccs1 933944679 VMGUGSMQEQDDPN-CQSZACIVSA-N 331.441 4.083 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)c2cnc(C)c(C)c2)cc1C 952974982 GKTWYWRKNQJIBT-UHFFFAOYSA-N 339.439 4.388 0 50 EIAA Cc1nn(C2CCOCC2)cc1NC(=O)CCCC1CCCCC1 952993125 DOEFLBHFJDIQIN-UHFFFAOYSA-N 333.476 4.232 0 50 EIAA Cc1ccccc1-c1ccc(C(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1 1704326520 ZBOXVHKBDHKFHU-FYYLOGMGSA-N 349.474 4.429 0 50 EIAA COc1ccccc1-c1cccc2cc(C(=O)Nc3cnn(C)c3)oc12 1875314048 FMUIATKJRJZABG-UHFFFAOYSA-N 347.374 4.094 0 50 EIAA CC(C)c1ccc(/C=C/CC(=O)N[C@H]2C[C@H](Cn3ccnc3)C2)cc1 2325782214 DXFUHGFAPFYZHH-ORRZMFBPSA-N 337.467 4.005 0 50 EIAA Cc1ccc2nc(NC(=O)[C@@H]3CCOCC34CCCCC4)oc2c1 2325869067 XWWYVPBJTJCMKT-AWEZNQCLSA-N 328.412 4.062 0 50 EIAA CC[C@@H](C)Nc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 106270 RMSDKVXUYOFYGE-SNVBAGLBSA-N 342.468 4.301 0 50 EIAA O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCC1 121326 ABCFVODVDZZUQU-UHFFFAOYSA-N 333.391 4.030 0 50 EIAA S=C(NC1CCCCC1)N(Cc1ccccc1)Cc1ccco1 296555 BWAIMIFLUFKNAA-UHFFFAOYSA-N 328.481 4.489 0 50 EIAA COc1ccc(NC(=O)c2c(N)sc3c2CCCCCC3)cc1 2558519 FRTPGXUZIUXTGQ-UHFFFAOYSA-N 330.453 4.250 0 50 EIAA CCOc1ccc(CCNC(=S)Nc2ccccc2)cc1OCC 2852581 MGQUSBOOSJUCOH-UHFFFAOYSA-N 344.480 4.013 0 50 EIAA Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)ccc1Cl 4843147 DEFRBDMGTACPLR-JTQLQIEISA-N 325.742 4.333 0 50 EIAA O=C(Nc1ccccc1OCCCc1ccccc1)c1ccncc1 12137961 RCOOSDSNNRLANA-UHFFFAOYSA-N 332.403 4.346 0 50 EIAA O=C(NCc1ccccc1Cl)Nc1ccccc1Br 13745485 FEGYJBGMNMETQI-UHFFFAOYSA-N 339.620 4.424 0 50 EIAA C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccncc1 13933142 HBFVCODTJICFKN-SNVBAGLBSA-N 325.359 4.148 0 50 EIAA O=C(Nc1nnc(CCc2ccccc2)s1)Nc1ccccc1F 18097787 RDQBJMLYYVZYFO-UHFFFAOYSA-N 342.399 4.106 0 50 EIAA Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)[nH]n2)cc1 29980318 LNTIHSULZPHMNA-CQSZACIVSA-N 337.398 4.357 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccccc2CN2CCCC[C@H]2C)n1 48187670 DHVUPOZBXXEUIU-MRXNPFEDSA-N 339.483 4.154 0 50 EIAA CCN(C/C=C/c1ccccc1)C(=O)c1cc2cccnc2nc1C 55281546 ZDWKVXFLXIGETG-DHZHZOJOSA-N 331.419 4.114 0 50 EIAA c1ccc2nc(-c3nn4c(-c5ccsc5)nnc4s3)ccc2c1 65356333 ZYDIFPCGVKMJKT-UHFFFAOYSA-N 335.417 4.130 0 50 EIAA COc1cccc([C@H]2CCCN2Cc2cccc(Cn3cccn3)c2)c1 72422757 NESKCLXIDZJXQF-JOCHJYFZSA-N 347.462 4.277 0 50 EIAA CN(C)C(=O)CCCn1ccnc1-c1ccccc1-c1ccccc1 77376571 ZDAFQLRPLILYKZ-UHFFFAOYSA-N 333.435 4.086 0 50 EIAA CCCc1cc(C(=O)N2CCC(Sc3cccc(C)c3)CC2)[nH]n1 91416559 GMANIXDLYNPALX-UHFFFAOYSA-N 343.496 4.068 0 50 EIAA Cc1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)c(F)c1F 92077454 AJTIORQEFRXWOU-UHFFFAOYSA-N 347.409 4.070 0 50 EIAA C[C@H](c1ccc(F)c(Cl)c1)N1CCO[C@@H](c2nccs2)C1 222213879 XSBSDGVNZWPBAE-QMTHXVAHSA-N 326.824 4.070 0 50 EIAA Cc1nc(-c2ccc(NC(=O)c3ccoc3C3CC3)cc2Cl)n[nH]1 225588447 UPDPBQYVJJXXGR-UHFFFAOYSA-N 342.786 4.156 0 50 EIAA Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C2 252693861 GHWUZZCCPXLMSI-LZJLGUPYSA-N 328.500 4.135 0 50 EIAA biogenic Cc1ccsc1-c1cccc(C(=O)N(C)C[C@H]2CCCCO2)c1 299765569 BTTHKDSFGKAIAN-QGZVFWFLSA-N 329.465 4.365 0 50 EIAA COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(-n2cccc2)c1 303196533 NKCYUCBODWDOCE-FQEVSTJZSA-N 346.430 4.463 0 50 EIAA c1cnc(-n2cccn2)c(-c2noc([C@H]3C[C@@H]3C3CCCCC3)n2)c1 329501907 AIFAKMZHNCHTNX-CVEARBPZSA-N 335.411 4.001 0 50 EIAA Cn1ccnc1-c1cccc(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)c1 426530900 QEEXWNKYOKMKMS-OALUTQOASA-N 349.478 4.199 0 50 EIAA C[C@H](c1cccc(O)c1)N(C)Cc1ccccc1OC(F)(F)F 1875255643 HXXPUAFYVONTAY-GFCCVEGCSA-N 325.330 4.484 0 50 EIAA COc1cnc(C)cc1C(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1 2100534324 CSUNXPCSEMXUQP-UHFFFAOYSA-N 347.418 4.330 0 50 EIAA ClC1(Cl)C[C@H]1CCn1cc(-c2cccc3ccncc23)nn1 2325808568 BPTQYAHRBMECQR-GFCCVEGCSA-N 333.222 4.077 0 50 EIAA COc1ccccc1-c1ccc([C@@H](C)NC[C@@H](N)CC(C)C)cc1 2325821951 OSQGIJZFUDWCIV-APWZRJJASA-N 326.484 4.386 0 50 EIAA COc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 97501 GNVAANUCTNCRME-UHFFFAOYSA-N 332.812 4.140 0 50 EIAA COc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 302762 OMQWFGGXUBANKP-UHFFFAOYSA-N 346.382 4.402 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)c2cccc(OCC)c2)c1 444344 HXJONYBVNVORGF-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA O=S(=O)(Nc1ccc(Nc2ccccc2)cc1)c1ccc(F)cc1 475087 DEOZPQNIHLXHJM-UHFFFAOYSA-N 342.395 4.370 0 50 EIAA COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC 2583789 YHUIUSRCUKUUQA-UHFFFAOYSA-N 333.750 4.183 0 50 EIAA in-vivo COc1ccc(S(=O)(=O)Oc2c(Cl)cccc2Cl)cc1C 2835208 IOTJOPAHWOQELV-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA Cc1ncc(CN2CCC(CO)(CCCc3ccccc3)CC2)s1 11878961 OASOCFXPKYFLON-UHFFFAOYSA-N 344.524 4.049 0 50 EIAA OCC1(Cc2ccc(Cl)cc2)CCN(CCc2ccccc2)CC1 19300362 MANUMIUQGHBKNN-UHFFFAOYSA-N 343.898 4.200 0 50 EIAA CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 19607836 SNGGLDIUKOCGBQ-FOWTUZBSSA-N 332.469 4.111 0 50 EIAA Cc1nc(-c2ccc(CN3CCCC3)cc2)[nH]c(=O)c1-c1ccccc1 20149396 MKVHHRANSRPGGA-UHFFFAOYSA-N 345.446 4.008 0 50 EIAA Cc1nc(Cn2ccc(-c3cccc(-c4ccccc4F)c3)n2)no1 20513832 ZBIKWAQMFABDPL-UHFFFAOYSA-N 334.354 4.096 0 50 EIAA COc1ccccc1N1CCN(C2CCC(C(C)(C)C)CC2)CC1 23283441 YFXUWEUEKJALIG-UHFFFAOYSA-N 330.516 4.422 0 50 EIAA CCOc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1 55543014 GGTMZACAEDVULJ-UHFFFAOYSA-N 330.859 4.061 0 50 EIAA Fc1ccccc1N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 55544101 DCXISCARMFDCJA-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA Cc1c(O)cccc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71746182 ZGBOXXQJXIETAS-KRWDZBQOSA-N 341.426 4.325 0 50 EIAA CC[C@@H](c1ccncc1)n1ccnc1-c1cnc(-c2cccs2)nc1 71763376 BTSHHWLJNSXCIB-INIZCTEOSA-N 347.447 4.463 0 50 EIAA CC(C)Oc1c(Cl)cccc1NC(=O)N(C)[C@@H](C)c1ccon1 96180874 VVFWDZBFJLFYQT-NSHDSACASA-N 337.807 4.340 0 50 EIAA Cc1nc(NC(=O)[C@H]2CC2(Cl)Cl)c(-c2ccccc2)s1 170595457 JKPQZKCCAVZUMV-SNVBAGLBSA-N 327.236 4.251 0 50 EIAA O=C(CCCc1nc2ccccc2s1)Nc1nc(Cl)ccc1O 170610118 PMTAGVHWALWSQY-UHFFFAOYSA-N 347.827 4.012 0 50 EIAA CCC[C@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@@H]1N(C)C 212989413 DKCQLKIOZVKJNQ-RXVVDRJESA-N 336.479 4.156 0 50 EIAA Cc1nc(CN(C)[C@]2(CO)CC[C@@H](C)C2)oc1-c1ccc(Cl)cc1 225333770 ZJFWYQUUFHJRQS-BFUOFWGJSA-N 348.874 4.286 0 50 EIAA O=C(c1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1C(F)(F)F 225747846 OQXINRPQJIUEHJ-LLVKDONJSA-N 325.252 4.262 0 50 EIAA Cc1ccc(C(=O)[C@H]2CCC[C@H](C(=O)c3ccc(C)cc3)C2=O)cc1 252571470 XXWTWUUZRHVHSH-RTBURBONSA-N 334.415 4.354 0 50 EIAA C[C@@H](NC1CCC(C(=O)O)CC1)c1ccc(Oc2cccnc2)cc1 263388142 DMSNYKDZZNNNKB-ODIFPOPNSA-N 340.423 4.168 0 50 EIAA CC(C)c1cc(C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)no1 299764211 RYCKLUROQUEOSJ-UHFFFAOYSA-N 341.411 4.167 0 50 EIAA Cc1cnccc1-c1cccc(C(=O)N[C@H](C)CCCC(C)(C)O)c1 426722668 QYCCSJBCNMHMGG-MRXNPFEDSA-N 340.467 4.117 0 50 EIAA Cc1noc2ncnc(NCC(c3ccccc3)c3ccccc3)c12 684192914 CSTNNBBAAASXLZ-UHFFFAOYSA-N 330.391 4.170 0 50 EIAA Cc1ccc(C2(O)CCN(Cc3ccc(CC(C)C)s3)CC2)nc1 821459933 OTJPLEMORXSEPZ-UHFFFAOYSA-N 344.524 4.134 0 50 EIAA O=C(Cc1c(F)cccc1Cl)Nc1cccc(CN2CCCC2)c1 827846843 CHVSLKXUOISJHO-UHFFFAOYSA-N 346.833 4.256 0 50 EIAA Cc1ccc(C(=O)N2CCCCC[C@H]2C=Cc2ccccc2)c(O)n1 1857533254 NXJDIJOAOOZWBH-SFHVURJKSA-N 336.435 4.194 0 50 EIAA CCN1CC[C@@H](Cn2ccnc2-c2ccc3cccc(Cl)c3n2)C1 1857688630 UEOIQWNYZILUNJ-CQSZACIVSA-N 340.858 4.094 0 50 EIAA COc1ccnc(COC(=O)CC2CCC3(CCCC3)CC2)c1OC 1875332929 REQMTSRJPNJLDW-UHFFFAOYSA-N 347.455 4.283 0 50 EIAA COc1ccc(CC(=O)Nc2cc(C)c(C)cc2Br)cc1 313602 OBXIATNNSSGIOQ-UHFFFAOYSA-N 348.240 4.256 0 50 EIAA O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)cc1 465183 DTJLFDXBQTUIOK-UHFFFAOYSA-N 345.240 4.302 0 50 EIAA O=C(COc1cccc(-c2ccccc2)c1)N1CCc2ccccc21 471261 XSADINLSUYFDML-UHFFFAOYSA-N 329.399 4.322 0 50 EIAA O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc(F)cc1 2615757 YWSPMBFNJDQYKJ-UHFFFAOYSA-N 336.391 4.312 0 50 EIAA O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 2762916 HEVRGKHEXJQQLY-UHFFFAOYSA-N 346.217 4.491 0 50 EIAA Cc1occc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 8907760 HAEMUKRMUOMVNK-UHFFFAOYSA-N 335.319 4.150 0 50 EIAA C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)NC1CCCCC1 12000790 XKHKGYXPHIPBAB-AWEZNQCLSA-N 341.480 4.073 0 50 EIAA Fc1ccc(-c2nc3cc4c(cc3cc2CNC2CC2)OCO4)cc1 12243688 AINWDWREOQUFGQ-UHFFFAOYSA-N 336.366 4.022 0 50 EIAA CCc1ccc2c(Cl)c(C(=O)N[C@@H](C)[C@H]3CCCO3)sc2c1 16603884 CISRYJMKUALXNK-GXFFZTMASA-N 337.872 4.414 0 50 EIAA CCC/C=C/CN1CC[C@]2(CCCN(C(=O)c3cc(C)oc3C)C2)C1 67842827 YFBBBJSXIZMISH-IRUYWQDXSA-N 344.499 4.181 0 50 EIAA Cc1cc(C(=O)N(C)Cc2ccc(C)s2)c2ccc(F)cc2n1 76174762 BGSKDYMNNSDZGY-UHFFFAOYSA-N 328.412 4.324 0 50 EIAA CC(=O)c1cc(CC(=O)N2CCCCC[C@H]2c2ccco2)cs1 82096228 GDLJPSYOMLMOSM-HNNXBMFYSA-N 331.437 4.230 0 50 EIAA CCN1C[C@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 91831112 RCXOWMCGOXKXPG-OAQYLSRUSA-N 349.522 4.173 0 50 EIAA Cc1cc(C)nc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c1 125990216 FXPKIHWMZWVYHX-INIZCTEOSA-N 338.455 4.181 0 50 EIAA Cc1nn(-c2ccccc2)c(C)c1CNc1nc(-c2ccccc2)no1 170618518 KIYUTIQNYLIRKN-UHFFFAOYSA-N 345.406 4.151 0 50 EIAA O=C(OCc1c(Cl)nc(Cl)n1-c1ccccc1)C1CC=CC1 170636515 OBULMPINAJLVMF-UHFFFAOYSA-N 337.206 4.189 0 50 EIAA CSCc1ccccc1NC(=O)Nc1ccc(NC(C)=O)cc1 184787385 FEJOSXHSLNBNCL-UHFFFAOYSA-N 329.425 4.152 0 50 EIAA CC(C)(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)CC1 187052402 ZBDVFUVRDVAACO-DLBZAZTESA-N 346.519 4.225 0 50 EIAA CC(C)n1cccc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273467899 FCIGTFCKADBBEA-PKOBYXMFSA-N 344.430 4.200 0 50 EIAA Cn1cc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c(C2CC2)n1 292082180 PVJDHCHPXBRXAE-OAHLLOKOSA-N 328.416 4.040 0 50 EIAA COc1nc2ccccc2cc1-c1ccc([C@H](C)N2CCOCC2)cc1 426380716 UATORSPPHQDCEP-INIZCTEOSA-N 348.446 4.304 0 50 EIAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc2ncccc2c1 952975411 YHFJFMFQHJEVKJ-KRWDZBQOSA-N 348.402 4.045 0 50 EIAA O=C(c1cc2c(C3CC3)cccc2[nH]1)N1CC(Cc2ccccc2)C1 1875279521 RTRRITQFBDYTPB-UHFFFAOYSA-N 330.431 4.360 0 50 EIAA Cc1nc2cc(NC(=O)C[C@H]3NCc4ccccc43)ccc2n1C(C)C 2325809275 XIENMBMAIPDQHU-GOSISDBHSA-N 348.450 4.099 0 50 EIAA CC(=O)Nc1ccc(Nc2nnc(-c3cccc(Cl)c3)o2)cc1 2325822652 GYGKLUAYJDYCFD-UHFFFAOYSA-N 328.759 4.092 0 50 EIAA CC(C)n1nc(-c2ccccc2Cl)nc1[C@H]1CC[C@@H]2CCC(=O)N21 2325849629 VRXXJNJJWQVGRO-IUODEOHRSA-N 344.846 4.005 0 50 EIAA COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccccc2C)cc1Cl 364950 XULGCCYBOWBLBJ-LBPRGKRZSA-N 349.814 4.072 0 50 EIAA Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccc(Br)cc2)c1 370689 WILHWLIYWSUAKH-CQSZACIVSA-N 346.268 4.486 0 50 EIAA Cc1ccc(C)c(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)c1 571571 ZPHHAOOMRHDJNV-UHFFFAOYSA-N 341.835 4.062 0 50 EIAA O=C1C[C@@H](c2cccc3ccccc23)c2cc3c(cc2N1)OCCO3 2499195 BNJQDKSAKXREOC-INIZCTEOSA-N 331.371 4.085 0 50 EIAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(-n2cccn2)cc1 4867167 UIEHSDSDVVOSFX-UHFFFAOYSA-N 331.297 4.143 0 50 EIAA COc1ccc(OC)c([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1 8590471 DIAZZOAUHKEUIQ-NRFANRHFSA-N 349.434 4.465 0 50 EIAA CCN(C(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 12406125 ZLDHVGVPVYMIHX-UHFFFAOYSA-N 345.402 4.001 0 50 EIAA O=C(C1=CCCCC1)N1CCC[C@@](CO)(CCCc2ccccc2)C1 12582482 PMZSHUANAXVCGA-QFIPXVFZSA-N 341.495 4.111 0 50 EIAA COc1cc(NC(=O)c2csc3ccccc23)cc(OC)c1OC 13326319 UVIZPFVLLBMUJX-UHFFFAOYSA-N 343.404 4.179 0 50 EIAA COc1ccc(OC)c2c(C)cc(NCc3ccccc3F)nc12 16671189 BWAHAJWHMKMYOY-UHFFFAOYSA-N 326.371 4.312 0 50 EIAA Cc1ccc(-c2nn3c(NCc4cccnc4)cc(C)nc3c2C)cc1 40216933 WQOBWOSHLOUFST-UHFFFAOYSA-N 343.434 4.329 0 50 EIAA Cc1ccc(CN[C@@H]2CCCc3nc(-c4cccnc4)ncc32)s1 55119479 IWRZMCCKABAGTL-QGZVFWFLSA-N 336.464 4.076 0 50 EIAA OCCCCN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67805430 UABRSFHJCOVJJI-UHFFFAOYSA-N 348.446 4.139 0 50 EIAA c1cncc(CN2CCCN(Cc3ccccc3-c3ccco3)CC2)c1 72169538 JKJYGQAEEJXVOU-UHFFFAOYSA-N 347.462 4.050 0 50 EIAA CCCc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)cs2)no1 82121439 CGLWDVGVNSEIBI-UHFFFAOYSA-N 341.436 4.023 0 50 EIAA CCCN(CC)c1ccc(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)cc1 253418022 FOSSMBINKPXWEE-YLJYHZDGSA-N 346.515 4.079 0 50 EIAA COc1ccc(C2(CNC(=O)c3cccn3C3CC3)CCCC2)cc1 299760168 HOZAMZWCGPSDSL-UHFFFAOYSA-N 338.451 4.073 0 50 EIAA CCc1nnc(-c2cccc(NC(=O)N[C@H](C)C3=CCCCC3)c2)[nH]1 299771391 WFZKQFDDTWVCMD-CYBMUJFWSA-N 339.443 4.045 0 50 EIAA c1cc(-c2noc([C@@H]3CCn4c(cnc4C4CCCCC4)C3)n2)ccn1 328587258 QHWRZMRAGIYEBT-MRXNPFEDSA-N 349.438 4.106 0 50 EIAA Cc1n[nH]cc1CN[C@H]1CCCCc2cc(Br)ccc21 338776701 LVCKZHPICOQUDR-INIZCTEOSA-N 334.261 4.038 0 50 EIAA c1cncc([C@H]2CCCN2Cc2ccc(Oc3cnccn3)cc2)c1 348921546 OAWIIBINNWFYLW-LJQANCHMSA-N 332.407 4.001 0 50 EIAA CCOc1ccc(NC(=O)N2CC(Cc3cccc(C)c3)C2)c(F)c1 669454105 GCNRMEYCOCQHJY-UHFFFAOYSA-N 342.414 4.239 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)c(F)c1F 822376033 AGQUEROELDTGBJ-LBPRGKRZSA-N 344.361 4.041 0 50 EIAA C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)Cc2cccnc2)C1 822416771 JFJUDOBHPXCUMD-AWEZNQCLSA-N 343.858 4.153 0 50 EIAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc2ccccc2cn1 828215154 MPCSQZLLIBVHAV-LJQANCHMSA-N 348.402 4.045 0 50 EIAA CON1CCC(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)CC1 888120639 TVRKHYCLTSMZAX-UHFFFAOYSA-N 349.434 4.047 0 50 EIAA CCCC[C@@H]1CN(c2nnc(C)c3ccccc23)C[C@H](C2CC2)O1 1857718093 NJLDKJBSPYPJMV-VQIMIIECSA-N 325.456 4.112 0 50 EIAA Oc1cc(CN[C@@H]2c3ccccc3CC2(F)F)cc(C(F)(F)F)c1 1875339261 YTBAHEPPHHWDBB-OAHLLOKOSA-N 343.295 4.433 0 50 EIAA CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1C 200836 XPPSGYCNYGEOAU-MRXNPFEDSA-N 335.451 4.370 0 50 EIAA O=C(O)c1cc(-c2cccs2)nc2ccc(Br)cc12 210507 KYHKYEUYJZTRCP-UHFFFAOYSA-N 334.194 4.424 0 50 EIAA Cc1ccnc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 306755 CKGAOVRHLIIXQL-UHFFFAOYSA-N 345.613 4.368 0 50 EIAA CCOc1ccc(OCc2ccc(C(=O)N3CCC(C)CC3)o2)cc1 468406 BFQYFMATBVTFHP-UHFFFAOYSA-N 343.423 4.129 0 50 EIAA COc1cccc(CNC(=S)Nc2ccc(Cl)cc2Cl)c1 613008 NYMHIGZJXILJHG-UHFFFAOYSA-N 341.263 4.489 0 50 EIAA CC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 618508 GHVKDWRBYMUEDO-UHFFFAOYSA-N 344.842 4.050 0 50 EIAA FC(F)(F)c1ccccc1-n1c(S)nnc1-c1cccs1 1311954 CCWLZARFDFKELB-UHFFFAOYSA-N 327.356 4.303 0 50 EIAA CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)c1 2053722 PARVEHBDHIRGOA-UHFFFAOYSA-N 342.464 4.219 0 50 EIAA Clc1ccc(OCCOCCNCc2ccccc2)cc1Cl 2821911 UMQFQRYUJBADSU-UHFFFAOYSA-N 340.250 4.179 0 50 EIAA Cc1cnn(CCCNC(=O)c2cc(C)c(-c3ccccc3)s2)c1 2872652 HIEGBODBRPOKRT-UHFFFAOYSA-N 339.464 4.049 0 50 EIAA CCCOc1ccc(S(=O)(=O)c2ccc(OCCC)cc2)cc1 2923623 BANSEOUUBGCHHE-UHFFFAOYSA-N 334.437 4.097 0 50 EIAA COc1ccc(Cl)cc1NC(=O)c1ccc(SC)cc1OC 2951695 NUGYSDSNUFHUQK-UHFFFAOYSA-N 337.828 4.331 0 50 EIAA Cc1ccc(C(=O)O)cc1NC(=O)C(c1ccccc1)c1ccccc1 5547277 OCMAWWJNVYIIML-UHFFFAOYSA-N 345.398 4.464 0 50 EIAA Cc1oc(-c2cccs2)nc1CN(CC1CC1)C[C@H]1CCCO1 12052110 COCLUJQMLGASDH-OAHLLOKOSA-N 332.469 4.103 0 50 EIAA COCCCNCc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 12386211 ZVQGSYFTEKOGIP-UHFFFAOYSA-N 349.478 4.282 0 50 EIAA CC[C@@H]1CN(Cc2ccc(O)c(Cl)c2)Cc2cc(OC)ccc2O1 14973935 FSIUEYRBRPIHOA-OAHLLOKOSA-N 347.842 4.227 0 50 EIAA CCOc1ccccc1N1CCN(Cc2c(C)[nH]c3ccccc23)CC1 16310325 NDJJUVZTNUNRGG-UHFFFAOYSA-N 349.478 4.197 0 50 EIAA Fc1ccc(-n2cc(-c3ccnc(NCc4ccccc4)n3)cn2)cc1 23250504 NORSEWXEEDOCRD-UHFFFAOYSA-N 345.381 4.081 0 50 EIAA CCc1cnc(-c2cccc(-c3ccn(C[C@@H]4CCCCO4)n3)c2)nc1 23339847 BHKIJCXEDJPCLG-IBGZPJMESA-N 348.450 4.139 0 50 EIAA Cc1cc(CNc2ccc(-c3nc(-c4ccccc4C)no3)cn2)no1 39516344 SMITVIXZOXNNJM-UHFFFAOYSA-N 347.378 4.016 0 50 EIAA O=C(O)c1ccccc1CN(Cc1ccsc1)Cc1ccco1 55309694 JHXINBDYTISKEL-UHFFFAOYSA-N 327.405 4.242 0 50 EIAA c1ccc(OCCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)cc1 65489825 LDSVXIMQTVSHSJ-GOSISDBHSA-N 334.419 4.133 0 50 EIAA CN(C)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)CC1 72478635 KESSECKHIYOSHN-KRWDZBQOSA-N 338.451 4.035 0 50 EIAA C[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cccc2ccccc12 134651276 UAXNCBTXCBJXSP-NDSDBLNTSA-N 338.451 4.158 0 50 EIAA CCc1nc(CCNc2ncnc3sc4c(c23)CCCC4)cs1 170618569 KAMZQVXSOBQJJZ-UHFFFAOYSA-N 344.509 4.244 0 50 EIAA c1ccc(OCC2CCN(Cc3ccn(-c4ccccc4)n3)CC2)cc1 170619639 CSLXHBHAAHVELE-UHFFFAOYSA-N 347.462 4.163 0 50 EIAA Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nn1cnc2ccccc21 170639221 JMEUODURVRQTSA-OAHLLOKOSA-N 336.439 4.185 0 50 EIAA O=C1CCCc2cc(NC(=O)c3cccn3C3CCCC3)ccc2N1 181530074 KLDZVDJWIUWGFF-UHFFFAOYSA-N 337.423 4.130 0 50 EIAA Cn1ccnc1[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 214987329 IWHDWNRHRVHTEF-GOSISDBHSA-N 339.483 4.121 0 50 EIAA COC[C@@H]1CCCCN1Cc1ccc(OCC=C(C)C)c(OC)c1 215822329 WEAACGXPQBHJNE-SFHVURJKSA-N 333.472 4.041 0 50 EIAA Cc1cc(CO)oc1C(=O)N1CCC[C@H]1c1cccc2ccccc12 283109297 SHGIEENFRSASBD-IBGZPJMESA-N 335.403 4.211 0 50 EIAA CC1(C)C(O)=Nc2ccc(C(=O)N3CC(C)(C)[C@H]3c3cccnc3)cc21 329341667 ZTVACTCBMWNREB-QGZVFWFLSA-N 349.434 4.184 0 50 EIAA Cc1ccc([C@H](NC(=O)CSC(C)C)c2cccnc2)c(C)c1 426484410 GWVZHDQVVDWDIT-LJQANCHMSA-N 328.481 4.046 0 50 EIAA CC(C)(C)OC(=O)c1ccc(F)cc1Oc1c[nH]c2nccc-2c1 498050825 GEDSCQZIOWXXTA-UHFFFAOYSA-N 328.343 4.401 0 50 EIAA Cc1sc(C(C)(C)S(C)(=O)=O)nc1-c1ccc(Cl)cc1 929084581 CNUTXEWRVSMBSI-UHFFFAOYSA-N 329.874 4.052 0 50 EIAA C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1cc2ccccc2nn1 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CCOC(=O)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1 2994595 LDCYILKQGONGJZ-UHFFFAOYSA-N 341.407 4.150 0 50 EIAA Cc1ccc(SN(c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 4833597 IVWCLHIQSWZPPE-QGZVFWFLSA-N 345.489 4.128 0 50 EIAA Cc1ccc(C(C)C)c(OC[C@H](O)CN[C@@H](C)c2ccccc2)c1 5968099 ZDOYPOMEISNALF-PKOBYXMFSA-N 327.468 4.209 0 50 EIAA CCOC(=O)C1CCN(CCCOc2cc(C)ccc2C(C)C)CC1 6704041 LHWFVQDUQUFFCB-UHFFFAOYSA-N 347.499 4.162 0 50 EIAA COc1cc(OC)c(NC(=O)Cc2ccccc2Cl)cc1Cl 8884084 FEJMZEKVFVTNMN-UHFFFAOYSA-N 340.206 4.192 0 50 EIAA O[C@@H](CNCc1cccc(OCc2ccccc2)c1)c1ccccc1 19691194 MMUSLFVNAYCBTD-QFIPXVFZSA-N 333.431 4.089 0 50 EIAA Cc1cccnc1[C@H](C)NC(=O)CSCc1ccccc1Cl 55228486 UVKUFGOEFSMHFQ-ZDUSSCGKSA-N 334.872 4.154 0 50 EIAA Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc(Oc2ccccc2)nc1 65395125 FTGSGWLDWRXCOF-MRXNPFEDSA-N 346.386 4.362 0 50 EIAA CC(C)c1cc(Cn2ccnc2-c2coc(-c3ccccc3)n2)on1 71762214 LDYRPZPIFCPCIF-UHFFFAOYSA-N 334.379 4.365 0 50 EIAA Cc1cc(Cl)ccc1O[C@@H](C)c1nn2c(C3CC3)nnc2s1 71767596 ATGBBSBRBVZMCD-VIFPVBQESA-N 334.832 4.165 0 50 EIAA Brc1ccc(N2CCCC2)c(NCc2nccs2)c1 163194889 MYUTZRGBXMLAIS-UHFFFAOYSA-N 338.274 4.118 0 50 EIAA CCc1nnc(CN[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)o1 253417237 CMTHNOUOBAIFOH-KBPBESRZSA-N 339.361 4.077 0 50 EIAA Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H]2c2csc(C)n2)o1 253433210 UADZOYVIEAXKTJ-YVEFUNNKSA-N 347.484 4.221 0 50 EIAA O=C(NCc1cnc(Cl)s1)[C@H]1C[C@H]1c1c(F)cccc1Cl 253630155 ROPZUQNWEXYQOQ-BDAKNGLRSA-N 345.226 4.009 0 50 EIAA CC(C)c1nc(N2CCO[C@@H](c3ccco3)C2)cc(C(C)(C)C)n1 302879792 HCGNKESJXRCBEN-OAHLLOKOSA-N 329.444 4.068 0 50 EIAA CC(C)C[C@@H](C)n1nccc1NC(=O)c1coc(Br)c1 340343127 PPQZZOLSBDBVHW-SNVBAGLBSA-N 340.221 4.098 0 50 EIAA CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc([C@@H]2CCOC2)c1 341754650 AYUIWVJCXOBDRX-UXHICEINSA-N 338.451 4.199 0 50 EIAA O=C(N[C@H]1COC2(CCCCC2)C1)c1cc2cc(Cl)ccc2[nH]1 426534123 WOUQVXDWKUQSPQ-CQSZACIVSA-N 332.831 4.043 0 50 EIAA CCOc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)cc2)cc1C 1776004587 VANKEFHSJJDOOC-UHFFFAOYSA-N 340.828 4.123 0 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INQVDHLYPDIHJN-OIAGVMEESA-N 331.462 4.207 0 50 EIAA Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc(F)nc2F)o1 253424332 DSTSHVRDESFTHN-GWCFXTLKSA-N 335.354 4.266 0 50 EIAA CC(C)c1ccc(N(C)C(=O)CCc2ccccc2C(=O)O)cc1 262831469 RAAZHNCOXCBPRR-UHFFFAOYSA-N 325.408 4.104 0 50 EIAA CCOc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)cc1 302736015 HQTPHDRNXUBMSM-IBGZPJMESA-N 349.434 4.472 0 50 EIAA CCN(CCOC)C(=O)c1ccc(-c2cc(Cl)ccc2OC)cc1 426420313 YUTAPHKVHGOCIS-UHFFFAOYSA-N 347.842 4.124 0 50 EIAA Cc1cc(C2CCC2)nc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 426492812 MTEKOINBKGBJBD-INIZCTEOSA-N 337.467 4.113 0 50 EIAA Cc1cnccc1-c1ccc(C(=O)N(C)CCC[C@H]2CCCO2)cc1 426530370 FJJOBGYMRGIOQU-IBGZPJMESA-N 338.451 4.088 0 50 EIAA CC(C)(C)[C@H]1CN(C(=O)c2cccc(O)c2)C[C@@H](c2ccccc2)O1 1529142465 OMDBJSPNSIEESV-RBUKOAKNSA-N 339.435 4.021 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCc1cc(C)cc(C)c1)C2 1704297875 AJSJHOGUMXWDHH-CTNGQTDRSA-N 329.484 4.044 0 50 EIAA C[C@@H](Cc1ccccc1F)NC1CCN(Cc2ccccc2)CC1 212522 USSRJIISWXGUKV-KRWDZBQOSA-N 326.459 4.011 0 50 EIAA CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)cc1 235835 IKQXZIJJDGWOLM-GFCCVEGCSA-N 341.436 4.081 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1C 302627 AEHIKTNYSVLBHT-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA CCN(c1cccc(C)c1)S(=O)(=O)c1cccc2ccccc12 472350 AJBYHIBIPNRYTN-UHFFFAOYSA-N 325.433 4.363 0 50 EIAA COc1ccc(CCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 611169 UZXWBGKNOFBRMY-UHFFFAOYSA-N 338.835 4.017 0 50 EIAA COC(=O)c1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1 1398156 BJQIYBHNORLBKC-UHFFFAOYSA-N 343.766 4.361 0 50 EIAA Cc1c(C)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2oc1=O 4810457 OHBMGXRBZNSQOA-UHFFFAOYSA-N 328.751 4.282 0 50 EIAA O=C(CCC1CCN(Cc2cc3ccccc3o2)CC1)N1CCCC1 11878568 FTYBRYUMYIKQGQ-UHFFFAOYSA-N 340.467 4.047 0 50 EIAA O=C(Cc1noc(-c2ccccc2Cl)n1)Nc1ccccc1Cl 16579361 BBGJRPLYXHFIAC-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)c2ccc(O)cc2)CC1 77354416 ZFMFIWPUQPOECK-UHFFFAOYSA-N 327.449 4.098 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)N(C)Cc1cc(C)cc(C)n1 96139989 KWYGZMKUTIWLBK-UHFFFAOYSA-N 347.846 4.333 0 50 EIAA O=C(C[C@@H]1C=CCC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 115258355 OTWZTYGXHUDJRC-VOIUYBSRSA-N 339.460 4.289 0 50 EIAA Cc1cnc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)o1 127772743 PASBGECMMJBDPD-LBPRGKRZSA-N 347.846 4.263 0 50 EIAA CC(=O)c1oc2ccccc2c1NC(=O)C[C@@H](C)c1c(C)noc1C 153995350 LHUJVJKZCBKSKD-SNVBAGLBSA-N 340.379 4.373 0 50 EIAA Cc1nc(-c2cccc(NC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)c2)no1 158465870 KXJQEQFYCSPFKY-ACJLOTCBSA-N 348.406 4.270 0 50 EIAA CCN(CC)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1 170082878 CQHCYUDBQVQFDV-UHFFFAOYSA-N 341.480 4.110 0 50 EIAA CC(=O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)s1 223114019 AADKPVRRQNXWMY-UHFFFAOYSA-N 345.439 4.332 0 50 EIAA Cc1nc(S[C@H](C)C(=O)N(C)C)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 248066542 ZUNIJTNKJZNGAJ-UHDSXZAQSA-N 349.544 4.066 0 50 EIAA Cc1nc2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3ccccc3)cc2o1 280379502 MOHDZNAELYTYPN-QGZVFWFLSA-N 348.402 4.014 0 50 EIAA CC1CCC2(CC1)N=C(O)N(c1cc(-c3ccccc3)ns1)C2=O 328594932 GENPQOVMKVUJPY-UHFFFAOYSA-N 341.436 4.020 0 50 EIAA O=C(NC[C@@H]1CCCOC1)c1cccc(-c2ccc3ncccc3c2)c1 426551087 IVONHQPIPOJYQU-INIZCTEOSA-N 346.430 4.058 0 50 EIAA Cn1ncc(CNc2ccc(-c3cn4ccccc4n3)cc2)c1Cl 815117748 PNBOFACFZQTTPL-UHFFFAOYSA-N 337.814 4.000 0 50 EIAA CC1(C)CCN(C(=O)Nc2cnn(C(F)F)c2)C[C@H]1c1ccccc1 930662763 BAMRAQYWBYUYGS-HNNXBMFYSA-N 348.397 4.326 0 50 EIAA Cc1cc(O)c(Cl)cc1-c1cc(C(=O)N2CCCCC2)ccn1 1772705665 MNGBLXPJLCWLPN-UHFFFAOYSA-N 330.815 4.042 0 50 EIAA COC(=O)c1ccccc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 42751 HFQAPTUIFKOBRP-MFKMUULPSA-N 342.222 4.003 0 50 EIAA Nc1cc(Br)ccc1-c1ccc(Br)cc1 400270 HLTBLXGLNPWUII-UHFFFAOYSA-N 327.019 4.461 0 50 EIAA CC[C@H](Oc1ccccc1)c1nnc(NC(=O)c2cccs2)s1 618206 HUNMAGQDAZCRDQ-LBPRGKRZSA-N 345.449 4.382 0 50 EIAA CSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 2879945 NQJZRCYVUAQNMJ-UHFFFAOYSA-N 346.883 4.024 0 50 EIAA CC(C)(C)c1ccccc1OCCOCCn1cnc2ccccc21 4998344 BHWNMMLACWRTGX-UHFFFAOYSA-N 338.451 4.429 0 50 EIAA COc1ccccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 5102978 TUELMJUVFRQJIR-LBPRGKRZSA-N 335.856 4.146 0 50 EIAA Cc1cc(C)n(C[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 8714386 PZQHZKVCNLUEPC-VIFPVBQESA-N 326.227 4.082 0 50 EIAA Cc1oc(-c2cc(F)ccc2F)nc1CN(C)[C@H](C)c1ccon1 11844113 RVFZRAJBYHNQAJ-SNVBAGLBSA-N 333.338 4.109 0 50 EIAA CC(C)COc1ccc(CN(Cc2ccncc2)C(=O)C2CC2)cc1 20272515 DBZUQMYKDAMYTC-UHFFFAOYSA-N 338.451 4.055 0 50 EIAA Cc1cccc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1 20908607 DXTUBDMXDRWMQS-UHFFFAOYSA-N 326.403 4.364 0 50 EIAA C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCn1cnc2ccccc21 30315712 BZZXXQSYLOTCKH-AWEZNQCLSA-N 341.842 4.299 0 50 EIAA Cc1cc(C)c(C)c(C(=O)NC[C@H](c2cccs2)N(C)C)c1C 55120396 NDLBWEBBGZDQDR-MRXNPFEDSA-N 330.497 4.014 0 50 EIAA CC[C@@H](C)N(Cc1cccnc1)Cc1ccccc1Cn1cccn1 55392802 KPYDPBJJZMSKNH-GOSISDBHSA-N 334.467 4.127 0 50 EIAA CC(C)C(=O)Nc1cccnc1-c1cccc([C@@H](C)N2CCCC2)c1 65406897 KFONZZUBYWHEFU-MRXNPFEDSA-N 337.467 4.500 0 50 EIAA CC(C)c1cc(C2CCN(Cc3cccc(-n4cccn4)c3)CC2)n[nH]1 67459566 DEPZWYAHXKHLBP-UHFFFAOYSA-N 349.482 4.098 0 50 EIAA Cc1c(C(=O)N(C)[C@H](c2ccccn2)C2CC2)oc2c(F)cccc12 77535063 YKPIYNNBMLCTIK-KRWDZBQOSA-N 338.382 4.499 0 50 EIAA CC(C)=CCC[C@]1(C)CCC(=O)N(CCCNc2cccnc2)C1 91434104 RZGKQWDKTLFEBC-HXUWFJFHSA-N 329.488 4.259 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N3CCC[C@H]3c3ccccn3)c(C)c2c1 92028286 FUINXPOJTMJKGV-SFHVURJKSA-N 333.435 4.465 0 50 EIAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)c1 95374603 QNJPOXQCDPYXDQ-FQEVSTJZSA-N 347.418 4.063 0 50 EIAA CCCSc1ccccc1NC(=O)N(C)[C@@H](C)c1ccncn1 96164964 IUGAIBYUNPUHFQ-ZDUSSCGKSA-N 330.457 4.204 0 50 EIAA COc1ccc(C(=O)C2CCN(C(=O)CC3=CCCCC3)CC2)cc1 171534929 HJNWHWXIPXUVLR-UHFFFAOYSA-N 341.451 4.007 0 50 EIAA CC(C)c1nc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)no1 184525029 NCHTYIWJCIHVDQ-LBPRGKRZSA-N 328.441 4.167 0 50 EIAA Cc1nc([C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CC2)c(C)s1 222359804 CSYVNHCHAQHZRR-JTQLQIEISA-N 334.872 4.322 0 50 EIAA Fc1ccc(CN2CCO[C@H](c3ccco3)C2)c(Cl)c1Cl 225465501 SISLUSNWKFJSSM-ZDUSSCGKSA-N 330.186 4.299 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@]2(CC=CCC2)C1 230214044 SWZSWEKECFPGLF-WAOWUJCRSA-N 348.531 4.360 0 50 EIAA C[C@H](C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccnc1 241301060 LPZYWAYLIYLJKN-NUTKFTJISA-N 348.368 4.266 0 50 EIAA CC(C)C(=O)OC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 252675661 UPXITFPVTSHUBP-HOCLYGCPSA-N 343.389 4.288 0 50 EIAA O=C(Nc1ccc(-c2nc([C@H]3CCOC3)cs2)cc1)c1ccco1 357729953 JWARYTGQXHZUKP-ZDUSSCGKSA-N 340.404 4.159 0 50 EIAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1ccc(C2CC2)o1 1875305003 BWLDTSHHIQSKIN-JCNLHEQBSA-N 325.408 4.277 0 50 EIAA Cc1ccc(F)c(-c2noc([C@@H](C)n3ccc(C(F)(F)F)n3)n2)c1 1875331545 MSFKDDXBSBCABX-SECBINFHSA-N 340.280 4.009 0 50 EIAA O=C(COc1ccc(-c2ccccc2)cc1)NCCc1ccccc1 116590 VURFUWAPCRXEDF-UHFFFAOYSA-N 331.415 4.091 0 50 EIAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 236053 OVZJXOAJPLUSBA-AWEZNQCLSA-N 343.298 4.074 0 50 EIAA COc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1OC 240265 HLIKMPYBPSBSSF-UHFFFAOYSA-N 325.452 4.159 0 50 EIAA C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccccc4)cc3c2C1 444852 DMGILCCXMGQVMS-CYBMUJFWSA-N 341.432 4.358 0 50 EIAA COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 3601607 GKCJSYINQUPLNU-UHFFFAOYSA-N 343.423 4.019 0 50 EIAA CCc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 4865981 GZOXLKRCPVRBMX-UHFFFAOYSA-N 346.430 4.252 0 50 EIAA COc1cc(CNCc2cccnc2)ccc1OCCc1ccccc1 4935151 DTZZCERBWWPNPB-UHFFFAOYSA-N 348.446 4.002 0 50 EIAA Fc1cc(Cl)c(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1F 6703100 BDVNKDBWCBBYBQ-UHFFFAOYSA-N 336.681 4.064 0 50 EIAA COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1 16578784 XQDSQRKPGBEYFP-UHFFFAOYSA-N 343.386 4.491 0 50 EIAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 71769305 NQZFKXMHNXEUGI-INIZCTEOSA-N 333.353 4.410 0 50 EIAA Cc1cccc([C@@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)c1 72412014 RHIJEFZXNNXKET-LJQANCHMSA-N 333.435 4.425 0 50 EIAA CC(C)n1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cn1 77385414 FUXZXCSELFYEDX-UHFFFAOYSA-N 335.810 4.061 0 50 EIAA c1cc(C2CCN(Cc3ccc([C@H]4CCCCO4)s3)CC2)n[nH]1 97674426 YKHGZAFNRWAOPH-QGZVFWFLSA-N 331.485 4.092 0 50 EIAA O=C(c1ccc(Cl)s1)N1CCC[C@H]1C[C@@H](O)c1cccs1 176224162 BDBDIFWJGBUZGN-WDEREUQCSA-N 341.885 4.191 0 50 EIAA CN(Cc1cc(Cl)ccc1F)C(=O)[C@@H]1CCC(=O)c2ccccc21 225462728 FBMHIFVLVYEODB-MRXNPFEDSA-N 345.801 4.198 0 50 EIAA CCCc1nc(Cn2c(C(C)C)cc(=O)c3cccc(CC)c32)no1 225655354 UWNYQHBZOQCLTC-UHFFFAOYSA-N 339.439 4.071 0 50 EIAA CCCOc1ccc(-c2nc3nc(-c4ccccc4)oc3c(=O)[nH]2)cc1 227155781 NTTHLRODXGZCJY-UHFFFAOYSA-N 347.374 4.034 0 50 EIAA Cc1nc(NC(=O)C[C@H](c2ccsc2)n2cccc2)sc1C 263588491 UTOHHDAOGJDYQW-CQSZACIVSA-N 331.466 4.241 0 50 EIAA O=C(Nc1ccccc1Cc1ccccc1)N1CCC2(CCO2)CC1 299785715 RQLUFUXYLYVZPY-UHFFFAOYSA-N 336.435 4.064 0 50 EIAA CC(C)n1ncc2c1C[C@H](N[C@H](C)c1ccc(C(F)F)nc1)CC2 657990704 VTLQDTRPAQHIDJ-IUODEOHRSA-N 334.414 4.005 0 50 EIAA C[C@@H](NCc1ccc(Cl)cc1F)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952967650 ZWWXMUWSCYDYPX-IGDFAFLASA-N 337.866 4.289 0 50 EIAA Cc1ccnc(C[C@H](C)N(C)Cc2cc(C3CCCCC3)no2)c1 1506402482 SLBRRSWJLHTZKO-INIZCTEOSA-N 327.472 4.489 0 50 EIAA Cc1cc(CCC(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)on1 1875329105 DXMGVRKYYDVQTE-MOPGFXCFSA-N 340.467 4.394 0 50 EIAA COc1cccc([C@H]2C[C@H](N(C)Cc3cc(C4CCC4)n[nH]3)C2)c1 2325873332 DHEGOPIVHGWXQI-SAABIXHNSA-N 325.456 4.064 0 50 EIAA CC(C)(C)C1CCC(OC(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)CC1 185911 RTCZJYLOKUHTJO-HTPOPCQBSA-N 344.451 4.439 0 50 EIAA Cc1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C 311023 UTSFTSMNESGOSH-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA O=C(N[C@@H]1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl 1386541 SBBSYDJACJBNAS-LLVKDONJSA-N 326.204 4.112 0 50 EIAA Cc1ccc(C)c(NC(=O)[C@@H](CC(=O)O)[C@H](C)c2ccccc2)c1 4977239 BEZCBONOOWRFHY-WBVHZDCISA-N 325.408 4.137 0 50 EIAA CCCn1c2ccccc2c2nnc(SCc3ccccn3)nc21 6715890 HPSRFCVKOZVDKD-UHFFFAOYSA-N 335.436 4.077 0 50 EIAA COC(=O)c1cc(C)sc1NC(=S)Nc1cccc(Cl)c1 6825621 GSBMYPLNYVACKX-UHFFFAOYSA-N 340.857 4.305 0 50 EIAA C[C@H](c1ccccc1)n1c(CCNC(=O)C(C)(C)C)nc2ccccc21 7546536 MLSSRHCCRFUSMP-MRXNPFEDSA-N 349.478 4.350 0 50 EIAA Cc1cc(S[C@H](C)C(=O)Nc2nccs2)nc2ccccc12 11907433 HUNSFHCCLLXJIS-LLVKDONJSA-N 329.450 4.119 0 50 EIAA CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 12138247 MADXEUMTBKLHBE-LBPRGKRZSA-N 330.815 4.121 0 50 EIAA CCc1[nH]c2c(CN[C@@H](C)Cc3cccnc3)cc(F)cc2c1C 12318984 ZVMHKPBAEFHVMO-ZDUSSCGKSA-N 325.431 4.294 0 50 EIAA Cc1c(CN2CCc3c([nH]c4ccccc34)[C@H]2CC(C)C)cnn1C 12454025 OPRFYATWUYOCJC-HXUWFJFHSA-N 336.483 4.355 0 50 EIAA Cc1ccc(-c2c(C(F)(F)F)nn3c(N(C)C)cc(C)nc23)cc1 21799399 FPLFCEITFMKYBC-UHFFFAOYSA-N 334.345 4.098 0 50 EIAA Cc1occc1C(=O)Nc1nc(SCc2ccc(F)cc2)ns1 30947781 XYKODLCDRVNDFF-UHFFFAOYSA-N 349.412 4.123 0 50 EIAA CC(C)c1noc([C@@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)n1 72139108 NMZJHJLNJAAZJB-CYBMUJFWSA-N 348.410 4.076 0 50 EIAA Oc1cccc(-c2ccc(-c3nc(COc4ccccc4)no3)cn2)c1 72158574 LBAREJXMGQVOFU-UHFFFAOYSA-N 345.358 4.083 0 50 EIAA O=C(c1ccccc1Oc1ccccc1)N1CC(c2cccnc2)C1 72173728 NKSQWIHSFQWLPB-UHFFFAOYSA-N 330.387 4.114 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)N(C)[C@@H](C)c3cncs3)c2c1 77470026 GZROHGWUVJJMQG-ZDUSSCGKSA-N 325.437 4.141 0 50 EIAA Cc1cc2cc(C(=O)NCCc3nc(C)c(Cl)s3)ccc2o1 91780051 JBTMXCOENFTDCW-UHFFFAOYSA-N 334.828 4.132 0 50 EIAA O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCc1ccno1 95528537 HCUJKLFHDMCBGG-GOSISDBHSA-N 340.810 4.166 0 50 EIAA Cc1c(NC(=O)N(C)CCC[C@@H]2CCCO2)cccc1-n1cccc1 96154104 GPPDSAVPICQNQU-QGZVFWFLSA-N 341.455 4.209 0 50 EIAA COc1ccc(-c2cc(O)n3nc(-c4ccc(C)cc4)c(C)c3n2)cc1 100692458 FFKCWNHVIJPBSC-UHFFFAOYSA-N 345.402 4.394 0 50 EIAA C[C@@H](C(=O)N(Cc1ccccc1)CC1CCOCC1)c1cccs1 120382957 QEHIMRBSMANJFH-MRXNPFEDSA-N 343.492 4.307 0 50 EIAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Cl)nc1Cl 175747564 IQKSHKWGYXBCBL-WCQYABFASA-N 335.234 4.407 0 50 EIAA Cc1ccc(C)c(N(C(=O)c2cnn(-c3nccs3)c2)C(C)C)c1 241121738 JDQBELCUNKCBIL-UHFFFAOYSA-N 340.452 4.001 0 50 EIAA C1=CC2(CCN(Cc3cc(-c4ccncc4)no3)CC2)c2ccccc21 244774223 PPVWSVKMUGNPLZ-UHFFFAOYSA-N 343.430 4.297 0 50 EIAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cccc2[nH]ccc12 253414863 YVFAIEOLAXLKIF-LJQANCHMSA-N 329.403 4.457 0 50 EIAA biogenic CC(C)c1ncsc1NC(=O)N1CCC[C@@H]1c1ccc(O)cc1 931669204 UNIDQEOSVRCXBE-CQSZACIVSA-N 331.441 4.341 0 50 EIAA COc1cccc([C@H](C)N(C)Cc2cncn2Cc2ccccc2)c1 1529189805 YSACTRWLBYKLET-KRWDZBQOSA-N 335.451 4.133 0 50 EIAA C[C@]1(C(=O)N[C@H]2CC[C@H](Oc3ccccc3)CC2)CCc2ccccc21 1875305455 RKBOZNLYDDYURZ-LEDOBFOHSA-N 349.474 4.397 0 50 EIAA O=C(NCc1c(Cl)cncc1Cl)[C@H]1C[C@@H](c2ccccc2)C1 2325781500 XJLXWXZGYMQBJG-BETUJISGSA-N 335.234 4.198 0 50 EIAA CC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2c1ccco1 32940 CNYZATPCJZNRTI-UHFFFAOYSA-N 349.234 4.035 0 50 EIAA CCOC(=O)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 456632 COKMTGXIRZKIFY-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA O=C1C[C@@H](c2cccs2)Cc2nc(Nc3ccc(F)cc3)ncc21 4741439 HQLPAYKKQOUMPK-NSHDSACASA-N 339.395 4.334 0 50 EIAA CC(=O)c1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1 13519143 YFCGOUMIPGYWDE-CQSZACIVSA-N 326.465 4.197 0 50 EIAA COc1ccc(/C=C2/SC(=O)N(c3ccc(C)cc3)C2=O)cc1 15774268 NOBIKRMHAAKCIX-LFIBNONCSA-N 325.389 4.245 0 50 EIAA CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3C2CCCCC2)o1 65380618 BGKZQPNTNZOSPJ-OAHLLOKOSA-N 327.428 4.326 0 50 EIAA Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 77519272 NMFDBKRRVZSWGY-SFHVURJKSA-N 330.403 4.117 0 50 EIAA CNc1nc(C)c(C(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 77538412 SGIBPFLHNDNZLY-MRXNPFEDSA-N 343.496 4.121 0 50 EIAA CCCn1nccc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 82106314 VXANCQDVYYDCDM-UHFFFAOYSA-N 349.434 4.358 0 50 EIAA c1ccc2nc(N3CCC(c4nccn4CC4CCC4)CC3)cnc2c1 91725088 MLMBJCRBPBPQLQ-UHFFFAOYSA-N 347.466 4.010 0 50 EIAA O=C(CSc1ccc(F)cc1)Nc1cc(-c2ccccc2F)on1 225735095 BLEAZGZALIFNQS-UHFFFAOYSA-N 346.358 4.351 0 50 EIAA Cc1ccc([C@@H]2CCCN2Cc2nc(O)c3c(C)c(C)sc3n2)o1 270643684 SEMCMYRXIHHKPJ-ZDUSSCGKSA-N 343.452 4.252 0 50 EIAA O=C1CC[C@@H](C(=O)N(CC(F)F)c2ccc(F)cc2)c2ccccc21 284610877 IJYGXOMMBBVAFC-MRXNPFEDSA-N 347.336 4.184 0 50 EIAA COc1ccc(C(C)(C)NC(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)cc1 426505762 KRUULTCAJSILNF-GNSZPUGASA-N 342.483 4.008 0 50 EIAA Cn1cc(NC(=O)N(Cc2ccoc2)C2CC2)c(C2CCCCC2)n1 931584216 MJTQRGGSJZAGGD-UHFFFAOYSA-N 342.443 4.257 0 50 EIAA CC(C)c1nccn1CCCNCc1ccc2cccc(Cl)c2n1 952971046 INGRMUDQRFLYKJ-UHFFFAOYSA-N 342.874 4.388 0 50 EIAA CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1-c1ccccc1 1436808052 SESKEFJRGBEKPD-YADHBBJMSA-N 343.426 4.396 0 50 EIAA Oc1cc(C2CCN(Cc3cc(C4CCCCC4)no3)CC2)ccn1 1772810561 LJUZITQWXVRZLX-UHFFFAOYSA-N 341.455 4.203 0 50 EIAA Brc1cccc2ccc(SCCc3cnccn3)nc12 2325855074 GXWVOHFESBPJCS-UHFFFAOYSA-N 346.253 4.122 0 50 EIAA C[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1cnc2ccccc2c1 2325870771 OBUGTGXTDLDEQQ-ZDUSSCGKSA-N 340.373 4.008 0 50 EIAA C[C@H]1Cc2c(Cl)cccc2[C@@H]1NC(=O)c1nnc(C(C)(C)C)s1 2325873680 PRVIWUFFDOKCBV-TVQRCGJNSA-N 349.887 4.152 0 50 EIAA O=C(O)/C=C/c1ccccc1Oc1ccc(Br)cc1F 168014 VDHMQMOFCCSGMC-VMPITWQZSA-N 337.144 4.478 0 50 EIAA CCOC(=O)c1cc(CC)sc1NC(=O)CCc1ccccc1 959471 LCXMXDVSDJEFIP-UHFFFAOYSA-N 331.437 4.059 0 50 EIAA Cc1cc(N2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2334469 MRDLFDKOGBTWEJ-UHFFFAOYSA-N 326.831 4.348 0 50 EIAA Cc1cc(C(F)(F)F)nc2sc(C(=O)c3ccccc3)c(N)c12 2767193 PKOLGQVZNYVTIN-UHFFFAOYSA-N 336.338 4.437 0 50 EIAA Clc1ccc(OCCSc2ncccn2)c(Br)c1 2845271 MSVBXLUEPIYGMR-UHFFFAOYSA-N 345.649 4.064 0 50 EIAA CO[C@H](C(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1 4701774 RZCAVESSSFYYCZ-KRWDZBQOSA-N 349.883 4.077 0 50 EIAA COc1cc(C=O)ccc1OCCOc1cc(Cl)ccc1Cl 4701959 XAHZXVOTHMJIPT-UHFFFAOYSA-N 341.190 4.272 0 50 EIAA CC(=O)N1N=C(c2cccs2)O[C@@]1(C)C12CC3CC(CC(C3)C1)C2 4722163 LEDZFRIOMUROPE-ZSWVUIPGSA-N 344.480 4.221 0 50 EIAA Cc1cc(OCCOCCN2CCC(C)CC2)cc(C)c1Cl 5101370 ULNWNVWYBNFTFZ-UHFFFAOYSA-N 325.880 4.084 0 50 EIAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCC2)cc1 14834293 GHDCOHNULHPTKK-UHFFFAOYSA-N 343.814 4.220 0 50 EIAA Cc1ccnc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 16649035 JKAOLNCCMJDSAH-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA CCn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19707427 POVWSKXGPQSWKT-UHFFFAOYSA-N 348.233 4.132 0 50 EIAA Oc1cccc(-c2nccn2C2CCN(Cc3ccccc3)CC2)c1 67605572 KYIYTYPYPOTALB-UHFFFAOYSA-N 333.435 4.093 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)c(O)c1 71419475 JOEHMTRLKKWRAJ-MRXNPFEDSA-N 341.426 4.325 0 50 EIAA CC(C)Cc1cc(C(=O)N(Cc2ccccn2)C2CCCCC2)on1 91755510 KNTMSVOOZJOYTE-UHFFFAOYSA-N 341.455 4.243 0 50 EIAA CC(C)Oc1ccccc1NC(=O)N1CCO[C@H](c2ccsc2)C1 152173449 WSLPCEFLXMOHPX-KRWDZBQOSA-N 346.452 4.141 0 50 EIAA CC[C@@H](C)Oc1cc(C(=O)N2CC[C@H](C)c3cccc(O)c32)ccn1 186310207 BZQFGNJQXVEMQC-UONOGXRCSA-N 340.423 4.119 0 50 EIAA COc1cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)ccc1F 187076842 MVZTZHDTFQQFSG-KRWDZBQOSA-N 343.402 4.379 0 50 EIAA O=C(Cc1coc(-c2cccs2)n1)Nc1cccc2cnccc12 225550948 ZMWOEQJJMUUMOY-UHFFFAOYSA-N 335.388 4.133 0 50 EIAA OCC[C@H](N[C@@H]1CCCOc2cc3c(cc21)CCCC3)c1ccco1 376881866 KBOSVJXWVYBVSQ-MOPGFXCFSA-N 341.451 4.085 0 50 EIAA O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(F)c(Cl)cc1Cl 488919427 OQCGWRDRIYCWPF-UHFFFAOYSA-N 342.132 4.400 0 50 EIAA C[C@H](c1ccc(C(=O)O)o1)N1CCC2(CCc3ccccc3C2)CC1 652431346 JGNDKDSCDLDTCX-OAHLLOKOSA-N 339.435 4.310 0 50 EIAA Cc1cnc(NC(=O)C[C@@H]2CCCC2(F)F)nc1-c1ccccc1 904962200 ZJIZXCOHIGAZPJ-AWEZNQCLSA-N 331.366 4.216 0 50 EIAA Oc1nc2ccc(CNCc3ccc(C4CCCC4)s3)cc2[nH]1 952982472 XSBVBHWAXOKFCI-UHFFFAOYSA-N 327.453 4.277 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(CC1=Cc3cc(Cl)ccc3OC1)C2 1704326216 YDFRGTXMXSOHQB-UXHICEINSA-N 347.886 4.397 0 50 EIAA O=C(/C=C/c1ccncc1)Nc1cccc(COc2ccc(F)cc2)c1 2325722651 MCZIGLWUFGQERA-RUDMXATFSA-N 348.377 4.452 0 50 EIAA Cc1ccc(C(=O)c2cc(F)c(N3CCOCC3)cc2Cl)cc1C 88366 BDXUIWKSRMWOJN-UHFFFAOYSA-N 347.817 4.164 0 50 EIAA Cc1nc2ccccc2c2c1C[C@@H]([C@](C)(Cl)Br)O2 436230 HIELOUZGQULWCY-JSGCOSHPSA-N 326.621 4.197 0 50 EIAA CCC(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 456260 KAUICCCVAZMXMO-UHFFFAOYSA-N 341.461 4.186 0 50 EIAA Cc1cc2oc(=O)c(CC(=O)O)c(C)c2c2occ(-c3ccccc3)c12 2114723 WJQHNEWGCZKROX-UHFFFAOYSA-N 348.354 4.450 0 50 EIAA biogenic CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 2129269 IHPRBKCYVAPHAI-VQTJNVASSA-N 329.440 4.090 0 50 EIAA Cc1c(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cnn1C 2782714 ORVHSIFXRLUOQU-UHFFFAOYSA-N 346.430 4.358 0 50 EIAA CCCCCCOc1cccc(NC(=O)O[C@H]2CN3CCC2CC3)c1 4566631 IRDQWHHOSOSGMN-IBGZPJMESA-N 346.471 4.288 0 50 EIAA FC(F)(F)c1cccc(N2CCN(CCCc3ccccc3)CC2)c1 4980892 BIOSBCIKBPHJTQ-UHFFFAOYSA-N 348.412 4.460 0 50 EIAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccncc1 5636394 ARRLGLCWYFHJIH-GHMZBOCLSA-N 339.222 4.033 0 50 EIAA S=C1NC2=C(CCc3ccccc32)[C@@H](c2ccc(Cl)cc2)N1 9356847 CEUVYLKUHIQWOL-MRXNPFEDSA-N 326.852 4.216 0 50 EIAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC2CCSCC2)c1C 12300251 DNEAOVVZJIVFFR-GOSISDBHSA-N 341.524 4.352 0 50 EIAA CCN(Cc1ccoc1)CC1CCN(CCc2ccccc2C)CC1 14975191 VZAXEGYLIJLBFV-UHFFFAOYSA-N 340.511 4.365 0 50 EIAA COc1cccc(CC[C@@H]2CCCN(C(=O)c3ccoc3C)C2)c1 15076249 DJIKNBONJIQDPP-KRWDZBQOSA-N 327.424 4.082 0 50 EIAA COC(=O)c1cc(-c2ccccc2F)nc2onc(-c3ccccc3)c12 20605194 PRYFGUXFDWFJKD-UHFFFAOYSA-N 348.333 4.483 0 50 EIAA c1ccc([C@H](NC2CCC3(CCNCC3)CC2)c2ccncc2)cc1 67854800 DVSQIXQVCROMIX-NRFANRHFSA-N 335.495 4.073 0 50 EIAA Cc1nnc(C)n1-c1ccc(Cl)cc1[C@H](N)c1ccccc1Cl 71770403 CLGWWLLHDRLWPT-QGZVFWFLSA-N 347.249 4.239 0 50 EIAA CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)n(C)n1 91915498 HJIPUNBUXLRNLM-GOSISDBHSA-N 343.446 4.440 0 50 EIAA CC(=O)c1cnc(NCC2(c3ccccc3F)CCCC2)nc1C 95368450 ANYRQQAUGZFANB-UHFFFAOYSA-N 327.403 4.051 0 50 EIAA Cc1ccc(NC(=S)NC(=O)C23CC4C[C@H](CC[C@@H](C4)C2)C3)cc1 100311962 YCCWQNYVCHNBSD-OMMUHCLJSA-N 342.508 4.415 0 50 EIAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 170631327 ACSWWXKIMLTEIZ-JKQUEYGFSA-N 348.531 4.096 0 50 EIAA Cc1noc(C)c1CCNC1CC(c2ccc(Br)cc2)C1 194033490 INKKPTVJEWWKAU-UHFFFAOYSA-N 349.272 4.132 0 50 EIAA Cc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)nc2ccccc12 195317544 QJRSFOPDQKXWBP-UHFFFAOYSA-N 345.324 4.147 0 50 EIAA C[C@@H](c1ccccn1)N(C)CCN(C(=O)OC(C)(C)C)C(C)(C)C 225514902 HXMFEOSWDLRNJD-HNNXBMFYSA-N 335.492 4.110 0 50 EIAA C[C@@H](O)c1ncc(C(=O)Nc2cccc(Nc3ccccc3)c2)s1 253404282 ILBSJTZTJDPWJG-GFCCVEGCSA-N 339.420 4.192 0 50 EIAA C[C@@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 253409293 ZYZBUARHBCRTFR-QGCDCVKKSA-N 335.447 4.109 0 50 EIAA C[C@@H](Nc1cc(C(F)F)nc2ccc(Cl)cc12)c1ncnn1C 289780674 WWUHBQPXJOGVCN-MRVPVSSYSA-N 337.761 4.127 0 50 EIAA c1cnc(-n2cccn2)c(-c2noc([C@H]3C[C@H]3C3CCCCC3)n2)c1 329501908 AIFAKMZHNCHTNX-HOTGVXAUSA-N 335.411 4.001 0 50 EIAA O=C([C@H]1OCCc2ccccc21)N1CCC[C@@H](c2ccccc2)CC1 441813147 LQWINRFUJOMNHC-NQIIRXRSSA-N 335.447 4.097 0 50 EIAA COC(=O)c1ccc2c(c1)NC[C@H](c1ccc(Cl)cc1Cl)O2 498050555 NDPLWEVRTZYPAT-OAHLLOKOSA-N 338.190 4.326 0 50 EIAA Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1ccc(C(F)F)nc1 657941222 ZADCIDZBQVICSN-CQSZACIVSA-N 347.409 4.337 0 50 EIAA Cc1cc(-c2ccccc2)nc(Nc2nc(C)c3ccccc3n2)n1 75566 WEBYCTCEMBXBOK-UHFFFAOYSA-N 327.391 4.447 0 50 EIAA O=C(C[C@@H](C(=O)O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1 110177 QKRSVVUEVGLGGY-CQSZACIVSA-N 327.767 4.263 0 50 EIAA CCC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 285444 FCQMNBXUHKTFPJ-UHFFFAOYSA-N 333.181 4.261 0 50 EIAA Cc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1 311677 OAAABVNILXJVEE-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA O=C(NCc1ccccn1)Nc1cc(Cl)c(Cl)cc1Cl 397335 GOPZCIJMLIIDEF-UHFFFAOYSA-N 330.602 4.364 0 50 EIAA CSc1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1 612156 HQHPLEZWJACMPL-UHFFFAOYSA-N 346.496 4.045 0 50 EIAA N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 975888 WTVLGGHLKBJBRE-WUXMJOGZSA-N 339.203 4.392 0 50 EIAA Cc1ccc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 2868901 RCQPFGZNOUAREX-SFHVURJKSA-N 341.476 4.196 0 50 EIAA O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cccs1 6746814 UIABTENITYYEHG-LBPRGKRZSA-N 337.828 4.212 0 50 EIAA O=C(C1CC1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 11818440 YDTZBCPQBUGTCB-ZDUSSCGKSA-N 325.374 4.287 0 50 EIAA CCCc1sc(C(=O)Nc2ccncc2)cc1Br 16603846 QIBKEEDAYZOXEJ-UHFFFAOYSA-N 325.231 4.110 0 50 EIAA C[C@H](NCc1ccc(OCc2ccccc2)cc1)[C@@H](O)c1ccccc1 20312634 BYJGOCWNKCACRL-FDDCHVKYSA-N 347.458 4.477 0 50 EIAA COc1ccccc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 20775571 HUBIHEYZXNRNAA-UHFFFAOYSA-N 342.402 4.064 0 50 EIAA COc1ccccc1/C=C/CN1CCC[C@H](c2[nH]ncc2C(C)C)C1 20778805 WMZONIUGNCOPHT-YOCVDRLZSA-N 339.483 4.435 0 50 EIAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(F)c(Cl)c1 33087330 HVRGIIZBIIRETE-AWEZNQCLSA-N 337.782 4.453 0 50 EIAA C/C(=C\c1ccccc1)[C@@H]1CC(=O)Nc2c1cnn2Cc1ccco1 65407821 GBPAKBBOBGAHLQ-SHRNQRGKSA-N 333.391 4.054 0 50 EIAA Cc1cnc(CN[C@@H](c2ccccc2)c2nc3ccccc3n2C)s1 185458175 AICQPHZKPNOQEQ-IBGZPJMESA-N 348.475 4.217 0 50 EIAA CC[Si](CC)(CC)CC[P@](=O)(O)CN1CCCCCC1=O 195885734 GLBCBCXUUMTWEA-UHFFFAOYSA-N 333.485 4.125 0 50 EIAA COc1cccc([C@H](NCCCOc2ccccc2)c2ccccn2)c1 225387108 AOMHIHOFRRQREH-QFIPXVFZSA-N 348.446 4.238 0 50 EIAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Cl)cc1 239433928 YTJILCCPFZPZBS-IEBWSBKVSA-N 340.854 4.097 0 50 EIAA COc1ccc(Nc2nccc(N3CCCc4ccccc43)n2)cc1 243295708 LFWAENDMCWLAHI-UHFFFAOYSA-N 332.407 4.313 0 50 EIAA O=C(O[C@H](c1nc2ccccc2o1)C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 252501365 UFHQCQSOLSQFTO-KZWBYHQPSA-N 339.313 4.411 0 50 EIAA C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccsc2Cl)C1 282039655 UJPOHAAPVTYDTL-RFHZTLPTSA-N 342.892 4.195 0 50 EIAA Cc1nsc(C)c1-c1noc(-c2cc(C)n(C3CCCCC3)n2)n1 330232482 ROOUPMAIIQIWQP-UHFFFAOYSA-N 343.456 4.487 0 50 EIAA Cc1nc(-c2cccc(C(=O)N3CCCc4occc4C3)c2)cs1 342635460 RJJCRGCFYSMNMY-UHFFFAOYSA-N 338.432 4.300 0 50 EIAA CCCSCc1nnc2sc(Cc3ccc(Cl)cc3)nn12 1775972339 XDHFIRDZFHOLMI-UHFFFAOYSA-N 338.889 4.073 0 50 EIAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 277201 OQXFBZAEGKEXTG-MRXNPFEDSA-N 348.412 4.459 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1 436960 RVQOXWAEKOGYPN-UHFFFAOYSA-N 334.213 4.409 0 50 EIAA COc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(OC)c1 450156 CYFBZWJYUZDFJI-UHFFFAOYSA-N 337.828 4.088 0 50 EIAA COc1ccc(OC)c([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)c1 451389 JJNQPZGCWQVOCK-CABCVRRESA-N 327.424 4.075 0 50 EIAA COc1ccc(OC)c([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2)c1 451392 JJNQPZGCWQVOCK-HUUCEWRRSA-N 327.424 4.075 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cccc2Cl)o1 2532418 PEBZVGOXWUGFCP-UHFFFAOYSA-N 329.208 4.022 0 50 EIAA CC(C)CC(=O)N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl 2666986 HIWHVMYWSFSWTA-GFCCVEGCSA-N 341.641 4.096 0 50 EIAA Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1C 2836245 SQQOQUDBJWIKRL-UHFFFAOYSA-N 328.393 4.184 0 50 EIAA C/C=C/c1ccc(OCCOc2ccc(C=O)cc2OC)c(OC)c1 2991228 AXIXRZAGXKYWIN-SNAWJCMRSA-N 342.391 4.007 0 50 EIAA CCCc1cc(=O)n2nc(Cc3ccccc3)c(-c3ccccc3)c2[nH]1 6493351 GNUVLZHGIVBUOL-UHFFFAOYSA-N 343.430 4.233 0 50 EIAA O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccs2)on1 6829229 ULIALALMPOKBRC-UHFFFAOYSA-N 342.464 4.349 0 50 EIAA COc1ccccc1NC(=S)NCCSc1ccc(C)cc1 8682429 MKENOLOEEAQRKB-UHFFFAOYSA-N 332.494 4.082 0 50 EIAA Clc1cccc([C@H]2CCN(c3nncc(-c4ccccc4)n3)C2)c1 11707469 MHRWDAGZAVPDOH-INIZCTEOSA-N 336.826 4.186 0 50 EIAA O=C(c1csc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 13331459 NKUFJHMFICMPNC-UHFFFAOYSA-N 340.423 4.003 0 50 EIAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccnc3)C2)c1 20149620 VQVQZQLLRCGHFE-LJQANCHMSA-N 332.451 4.160 0 50 EIAA Fc1ccccc1-n1nc(CCc2ccccc2)nc1[C@H]1CCCO1 65490687 AQKVQTFIXDSBDG-GOSISDBHSA-N 337.398 4.043 0 50 EIAA CN(Cc1ccc([C@H]2CCCO2)s1)Cc1nc2ccccc2n1C 67920575 YPXNLOZDOGHWKE-QGZVFWFLSA-N 341.480 4.118 0 50 EIAA CC(C)Cc1ccc(CN2CCCN(Cc3ccncc3)CC2)s1 72153552 VDJWYBZRTMQJEO-UHFFFAOYSA-N 343.540 4.050 0 50 EIAA OCc1cccc(-n2ccnc2-c2ccc([C@H]3CCCCO3)s2)c1 72157562 LTWWGWACIGUUKG-MRXNPFEDSA-N 340.448 4.335 0 50 EIAA O=C(Nc1ccccc1-c1ccccc1)N1CC(c2ccncc2)C1 72168544 NGOZCBMOUGLRMS-UHFFFAOYSA-N 329.403 4.380 0 50 EIAA CSc1ccccc1NC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 77422875 MNBFMXQWZZGRRC-ZDUSSCGKSA-N 346.456 4.284 0 50 EIAA COc1ccc(C(=O)N(C)[C@@H](C)c2nc(C)sc2C)cc1Cl 82137378 RDZJPKILAZHHNG-VIFPVBQESA-N 338.860 4.255 0 50 EIAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 95529195 KWPMGAAZUXVATQ-GFCCVEGCSA-N 337.876 4.199 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)NCCCC[C@H]1CCCO1 96160023 ZAERXMDVGVDBCI-ZDUSSCGKSA-N 340.851 4.128 0 50 EIAA CO[C@@H](C(=O)Nc1cc(-c2nc(C)co2)ccc1C)c1ccccc1 120819280 OBRBXRICQHKINA-GOSISDBHSA-N 336.391 4.285 0 50 EIAA CC(C)(C)SCCCC(=O)Nc1c[nH]nc1-c1ccccc1F 170618613 YZWDFJHPYKRRCF-UHFFFAOYSA-N 335.448 4.466 0 50 EIAA Cc1ccc(-n2ncc(C(=O)N(C)C3CCC3)c2C2CC2)cc1Cl 172702546 XKABEDBXHRBKKS-UHFFFAOYSA-N 343.858 4.336 0 50 EIAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1csc(Cc2ccccc2)n1 248123253 VZBXUNRMKSPVAT-RVKKMQEKSA-N 342.508 4.217 0 50 EIAA OC[C@H]1CCCN1Cc1cccc(OCc2c(F)cccc2Cl)c1 828799190 XPSNJQZRLYRDBV-OAHLLOKOSA-N 349.833 4.015 0 50 EIAA CC[C@]12C[C@@H]1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 1772812719 PLWXSNLQBPNDMV-DENIHFKCSA-N 344.462 4.166 0 50 EIAA C[C@H](NC(=O)c1ccc(-c2ccncc2)nc1)c1ccc(Cl)cc1 1875339022 TVEVRZRWHOMTQE-ZDUSSCGKSA-N 337.810 4.288 0 50 EIAA Cc1ccc2c(c1)CN(C(=O)N[C@H](C)c1cccc3cc[nH]c13)CCO2 1875348783 CIGCRMQJXCLPOO-OAHLLOKOSA-N 349.434 4.142 0 50 EIAA O=C(Nc1cncc2ccccc12)[C@H]1CCNc2ccc(Cl)cc21 1875349927 TUZBEGQKTWHIIP-HNNXBMFYSA-N 337.810 4.426 0 50 EIAA NC(=O)c1csc(CNc2ccc(N3CCc4ccccc43)cc2)c1 2325746550 MVMMMOABYVZKOC-UHFFFAOYSA-N 349.459 4.153 0 50 EIAA COC(=O)c1ccc2ncnc(N[C@H](C)[C@H]3CCCC[C@@H]3C)c2c1 2325839924 JOZFKGSESNACKP-GUTXKFCHSA-N 327.428 4.043 0 50 EIAA COc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)cc1 176153 SLFABDBCIWZEMC-UHFFFAOYSA-N 334.419 4.296 0 50 EIAA COC(=O)c1ccccc1NC(=O)Oc1ccc(Cl)c(Cl)c1 398270 OOVQUZNAFHHDNE-UHFFFAOYSA-N 340.162 4.391 0 50 EIAA Cc1ccc(C(=O)COC(=O)c2cccc(Br)c2)cc1C 454199 VBZOJYRORKTYKO-UHFFFAOYSA-N 347.208 4.106 0 50 EIAA Cc1ccnc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 459931 UDRQXZZBHOZKKA-UHFFFAOYSA-N 335.388 4.364 0 50 EIAA O=Cc1ccccc1OCCCCCCOc1ccccc1C=O 2170643 PIPIQYSPUYAGOG-UHFFFAOYSA-N 326.392 4.330 0 50 EIAA Clc1cccc(N2CCN([C@H]3CCc4ccccc4C3)CC2)c1 4981340 DHGMGNFVRUHFCL-FQEVSTJZSA-N 326.871 4.020 0 50 EIAA O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c2ccccc12 6703621 XIQNORWJSCPRKQ-UHFFFAOYSA-N 333.174 4.296 0 50 EIAA CCN1CCC(C(=O)Nc2ccccc2-c2cccc(OC)c2)CC1 12203327 RPYQBSNDRWMOHI-UHFFFAOYSA-N 338.451 4.033 0 50 EIAA C[C@H]1CN(C(=O)c2sc3cccc(Cl)c3c2Cl)C[C@H](C)O1 16580449 YPJQTWUTFIAZJE-IUCAKERBSA-N 344.263 4.458 0 50 EIAA COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)c1 36620983 LBLCSZIRVXBAFL-GOSISDBHSA-N 340.423 4.381 0 50 EIAA CC(=O)N[C@H]1C[C@@H](c2c(Cl)ccc(C)c2F)O[C@@H](C(C)C)C1 65380451 UMBKMJPZMQJJHA-YUELXQCFSA-N 327.827 4.168 0 50 EIAA Cc1ccccc1C1(NC(=O)c2cccc(CCC(C)(C)O)c2)CC1 72476655 ZFMLRUHLKFJSCD-UHFFFAOYSA-N 337.463 4.118 0 50 EIAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc2)n1 77301182 GUDQGMKJGZWBIV-FQEVSTJZSA-N 349.409 4.215 0 50 EIAA Cc1cc(C(=O)N(C)[C@@H](C)c2cncs2)c2cccc(C)c2n1 82097321 JCTZYPHSYFYAGJ-ZDUSSCGKSA-N 325.437 4.141 0 50 EIAA Fc1ccc(C2=C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 100635295 JNTLISWBQULGGX-MRXNPFEDSA-N 326.762 4.127 0 50 EIAA c1ccc2oc([C@H]3CCCN(Cc4ccc5c(c4)CCO5)C3)nc2c1 109829705 MKBJQSRHUSWVHE-KRWDZBQOSA-N 334.419 4.142 0 50 EIAA O=C(c1coc2ccccc12)N1CCO[C@H](c2ccccc2Cl)C1 113171600 AAULAEDHCFTRJE-SFHVURJKSA-N 341.794 4.300 0 50 EIAA O=C1OCCN1c1ccc(-c2csc(N3CCCCCC3)n2)cc1 123203953 VMJGMUQYACMNJF-UHFFFAOYSA-N 343.452 4.147 0 50 EIAA C[C@H](NC(=O)c1snnc1C(C)(C)C)c1cc2ccccc2o1 170607865 GWYWZQMDUIZNHP-JTQLQIEISA-N 329.425 4.073 0 50 EIAA Cc1ccc(C(=O)C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)cc1 170634377 KAKIZTDUHYBZIX-QGZVFWFLSA-N 325.408 4.223 0 50 EIAA O=C(O[C@H](c1ccncc1)c1ccc(F)cc1)C1[C@@H]2CCCC[C@@H]12 230163031 XMIBVQJCQHXWIX-LMMKCTJWSA-N 325.383 4.290 0 50 EIAA CC(C)[C@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2)no1 238900550 JMTYYNRLUBXXTC-INIZCTEOSA-N 339.370 4.003 0 50 EIAA O=C(O)c1cccnc1CN1CCCCC[C@@H]1/C=C/c1ccccc1 652440613 KTRKAHQCMBLIDK-QFQMRYFISA-N 336.435 4.238 0 50 EIAA Cc1cc(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)cnc1C 952869955 QWQMDLKRDHDPMT-UHFFFAOYSA-N 346.434 4.099 0 50 EIAA c1cnc2cc(-c3ccc4c(cnn4[C@@H]4CCCCO4)c3)ccc2n1 1242446048 HTUZLHFOKSUGGX-FQEVSTJZSA-N 330.391 4.346 0 50 EIAA CCc1c(C)noc1NC(=O)c1ccoc1COc1ccc(C)cc1 1506414069 NGIYXJIYELYLPA-UHFFFAOYSA-N 340.379 4.278 0 50 EIAA CC[C@@H](c1ncccc1C)n1ccnc1-c1ccnn1-c1ccccc1 1857690784 SSNSSIFXFCBKBY-SFHVURJKSA-N 343.434 4.439 0 50 EIAA C[C@@H](c1cccc(O)c1)N(C)Cc1ccccc1OC(F)(F)F 1875255644 HXXPUAFYVONTAY-LBPRGKRZSA-N 325.330 4.484 0 50 EIAA CC(C)(C1=CCSCC1)c1nc(C2(c3ccncc3)CCC2)no1 2325797775 TTWPZEZLKIJFRO-UHFFFAOYSA-N 341.480 4.276 0 50 EIAA CCc1cc(O)nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 2325821419 NCWZIWQESZSWQE-UHFFFAOYSA-N 342.402 4.264 0 50 EIAA COc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1Cl 302216 PWYXAKSTOANULT-UHFFFAOYSA-N 333.815 4.291 0 50 EIAA CCc1cccc2ccc(S(=O)(=O)N3CCCCC3)c(CC)c12 309901 XBORMNBTQQZXQT-UHFFFAOYSA-N 331.481 4.139 0 50 EIAA CCSc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 313870 DXZYTMMNZKJTGG-UHFFFAOYSA-N 327.858 4.253 0 50 EIAA COc1ccc(Cl)cc1NC(=O)COc1ccccc1Cl 436162 YRZNMTRUQVJYEE-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA COc1ccc(NC(=S)Nc2c(C)cc(C)cc2C)c(OC)c1 611782 DDICPMOJIDCPAM-UHFFFAOYSA-N 330.453 4.438 0 50 EIAA CCCCCC(=O)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl 2702029 XWCFDPIVYVFZTA-CYBMUJFWSA-N 338.662 4.458 0 50 EIAA O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)[C@H]1CCCO1 2879497 GTVDSOSBNNLNHW-MRXNPFEDSA-N 342.782 4.266 0 50 EIAA CC(=O)OCc1ccccc1Oc1ccc(Br)cc1F 5481125 LDUHWRDDQYXVRJ-UHFFFAOYSA-N 339.160 4.444 0 50 EIAA Clc1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1 10434550 JTIFPSGKVSJEHY-UHFFFAOYSA-N 344.886 4.008 0 50 EIAA Cc1cc(C)c2cccc(N/C=C3\N=C(c4ccccc4)OC3=O)c2n1 12559972 KOJIJRPYYRLXRB-PDGQHHTCSA-N 343.386 4.109 0 50 EIAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)c1 15076972 HVIATMRXPYHCAK-HXUWFJFHSA-N 332.451 4.051 0 50 EIAA CC(C)N(Cc1ccccc1Cl)C(=O)c1ccc2nccnc2c1 55282279 NGWCOPPHNWSEEW-UHFFFAOYSA-N 339.826 4.334 0 50 EIAA CC[C@H](C)N(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 55343308 FEFBWFCBCWIWPL-ZDUSSCGKSA-N 332.831 4.264 0 50 EIAA COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2)c1 63298335 JRVSFZKYQCETAH-OAHLLOKOSA-N 332.403 4.248 0 50 EIAA Cc1ccccc1-c1cccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1 67690822 GQKBVJYQHMQIDS-LJQANCHMSA-N 345.446 4.405 0 50 EIAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(c2nnc(C3CCC3)o2)C1 95359979 SYLVJJGGZOUAEX-AWEZNQCLSA-N 345.830 4.090 0 50 EIAA O=C(c1ccccn1)N1CCCC(c2ccccc2)(c2ccccc2)C1 95501077 UUASSBAXTYZCIH-UHFFFAOYSA-N 342.442 4.304 0 50 EIAA Oc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1 100627033 QXLLAUZEOMPJII-UHFFFAOYSA-N 329.359 4.452 0 50 EIAA CCSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 100643658 PKNJGCOYTNRTQF-VXGBXAGGSA-N 346.477 4.088 0 50 EIAA Cc1ccc(F)c2c1CCCN2C(=O)c1csc([C@@H]2CCCO2)n1 120809262 HFYWBGQOIWFMCP-HNNXBMFYSA-N 346.427 4.035 0 50 EIAA Cc1noc(C)c1C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 156695639 HSAWVNUODLNIRO-GXFFZTMASA-N 339.222 4.132 0 50 EIAA Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1cc2ccccc2o1 180047015 NARQBNIKHWCCCF-HNNXBMFYSA-N 337.423 4.146 0 50 EIAA CC(C)c1ccc([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)cc1 193715358 ZYNSERAEXBYZHG-LJQANCHMSA-N 325.456 4.220 0 50 EIAA Cc1noc(CC2CCN(Cc3ccc(-c4ccco4)cc3)CC2)n1 216319118 XFYBRERMMXYYHR-UHFFFAOYSA-N 337.423 4.093 0 50 EIAA Cc1ccc2nc([C@H]3CCCN3Cc3ccncc3Cl)[nH]c2c1 216345771 ZGJCIAKJVDQULM-QGZVFWFLSA-N 326.831 4.257 0 50 EIAA COc1cc(/C=C/C(=O)O)ccc1OCc1ccc(F)cc1Cl 216892467 AVZCBIQWOXWJGF-XVNBXDOJSA-N 336.746 4.165 0 50 EIAA Cc1nc(-c2cccc(Cl)c2Cl)sc1-c1ccnc(N)n1 221597146 UVEVGJFMUPOFCK-UHFFFAOYSA-N 337.235 4.465 0 50 EIAA CC(C)[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 225475809 VQFHJWPPRJYXHH-AMJWSMQMSA-N 348.245 4.371 0 50 EIAA Cc1ccnc(C[C@H](C)N(C)Cc2cncn2C2CCCCC2)c1 243932068 BSCVSOTYFMZNKM-KRWDZBQOSA-N 326.488 4.155 0 50 EIAA O=C([C@H]1CC12CCOCC2)N(Cc1ccco1)c1ccc(Cl)cc1 328588499 QYCWFMKLKQXSDJ-QGZVFWFLSA-N 345.826 4.283 0 50 EIAA COc1cc(-c2cc(C)cc(CN3CCCC3)c2)cc(OC)c1OC 426405224 ZARQGIBOCYFSPC-UHFFFAOYSA-N 341.451 4.284 0 50 EIAA CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cccc(Cl)c1Cl 584904302 UKSJJGUEFDJHHY-KBRIMQKVSA-N 342.266 4.208 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1 1506407059 NZJDLPAXIYLHNJ-KRWDZBQOSA-N 340.442 4.341 0 50 EIAA C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cc[nH]c3nccc2-3)cc1 2325862549 YNQZVEMDJQATJI-HNNXBMFYSA-N 348.450 4.141 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 94605 QRJKAWJQSFYOSR-UHFFFAOYSA-N 345.358 4.178 0 50 EIAA Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1C 274052 OPZAYEHXPIMYED-UHFFFAOYSA-N 338.432 4.444 0 50 EIAA c1ccc(CCn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 522119 WYZLSLCKBOQBDW-UHFFFAOYSA-N 340.386 4.482 0 50 EIAA O=C(NCCOc1ccccc1)c1sc2ccccc2c1Cl 2297278 NOBINLHVAUJIKQ-UHFFFAOYSA-N 331.824 4.364 0 50 EIAA Nc1c(C(=O)Nc2ccccc2F)sc2nc3c(cc12)CCCC3 2501444 AIGJNKOKUNLBLV-UHFFFAOYSA-N 341.411 4.149 0 50 EIAA Cc1cc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1Cl 2764735 JSGSLXHBQPXTQO-UONOGXRCSA-N 329.827 4.394 0 50 EIAA Cc1cc(OCC(=O)Nc2ccccc2N2CCCC2)ccc1Cl 2827113 UHRPQBAMBVPWAS-UHFFFAOYSA-N 344.842 4.266 0 50 EIAA COc1ccccc1OCCCOc1ccc(Br)cc1 2904795 SENLGFDUWDFTRB-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA CC1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 4981331 HKYYJFXCYFAYNL-UHFFFAOYSA-N 326.406 4.406 0 50 EIAA O=C(c1noc2c1CCCCC2)N(Cc1ccco1)C1CCCC1 9227037 JDKBAKRWEYLKHV-UHFFFAOYSA-N 328.412 4.122 0 50 EIAA COc1cc(-c2nc(CN3C[C@@H]4CCC[C@H]3C4)c(C)o2)ccc1F 15061552 CSJDUJCZNALWPL-HIFRSBDPSA-N 330.403 4.172 0 50 EIAA O=C(C[P@@](=O)(O)CCCCc1ccccc1)OCc1ccccc1 21300609 GVDMCYBWLREELG-UHFFFAOYSA-N 346.363 4.023 0 50 EIAA in-vitro CC(C)c1noc([C@@H](C)N[C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 65393887 LXCQIVKQRWYIIY-NWDGAFQWSA-N 341.377 4.494 0 50 EIAA Cc1nn(C)c2c1[C@H](/C=C/C=C/c1ccc(Cl)cc1)CC(=O)N2 65398029 VMDDOPAQMUYEJK-SBRPLTKKSA-N 327.815 4.077 0 50 EIAA O=C(CCC(F)(F)F)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 65405588 KMSLAIOOBUWWMZ-LBPRGKRZSA-N 349.343 4.479 0 50 EIAA CC(C)(C)C[C@H](Nc1nc(CCN)nc2ccccc12)c1cccnc1 65535495 UBHIEQSQBAIJJX-SFHVURJKSA-N 349.482 4.115 0 50 EIAA C[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CC[C@@]1(O)C1CC1 91587206 XZFXHCFWSPKYRG-VGSWGCGISA-N 337.463 4.462 0 50 EIAA O=C(c1ccon1)N1CCc2c([nH]c3ccccc23)[C@@H]1C1CCCCC1 95497330 NTZHRROVIMOCND-FQEVSTJZSA-N 349.434 4.476 0 50 EIAA CCCCSc1ncc(CN2CCCC[C@H]2c2cc(C)on2)cn1 97505841 DRADBHBDYDRTSK-KRWDZBQOSA-N 346.500 4.392 0 50 EIAA CC(=O)N1c2ccccc2C[C@H]1c1nc(-c2cccc(Cl)c2)no1 109468298 QRSZGGNPEUZLMS-INIZCTEOSA-N 339.782 4.040 0 50 EIAA O=C([C@@H]1C[C@H]1c1cccnc1)N(CC1CCCCC1)c1ccccn1 157502008 GHRLWTHBJKYKBY-RBUKOAKNSA-N 335.451 4.194 0 50 EIAA C[C@H]1CSc2ccccc2N1C(=O)c1cc(COC(C)(C)C)on1 186273059 ZBJKPFBEGSWCPV-LBPRGKRZSA-N 346.452 4.131 0 50 EIAA COc1nc2ccccc2cc1-c1ccc([C@@H](C)N2CCOCC2)cc1 426380720 UATORSPPHQDCEP-MRXNPFEDSA-N 348.446 4.304 0 50 EIAA COc1cc(NC(=O)Nc2ccc(N)c(C)c2)cc(OC)c1C(C)C 850776266 QMFSIAYJTJKZAF-UHFFFAOYSA-N 343.427 4.362 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N[C@H](C)c2nc(C)sc2C)cc1 952979637 ORRVDMBMYMHHBL-GFCCVEGCSA-N 331.485 4.136 0 50 EIAA Cc1nnc(N[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccccc12 1529150946 BZKKACLNOOYWLP-XJKVJRSZSA-N 337.467 4.070 0 50 EIAA CO[C@H](c1nc(-c2ccc(C)cc2)nn1CC(C)(C)C)[C@H]1CCOC1 1875336404 ZJAFNUMPDCJYAH-IRXDYDNUSA-N 343.471 4.024 0 50 EIAA O=C(c1cc2ccc(Cl)c(F)c2[nH]1)N1CC=C(c2ccccc2)C1 1875340823 UIWUJTNXUKNLEP-UHFFFAOYSA-N 340.785 4.500 0 50 EIAA CCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCCC1)CC3=O 2084329472 MAYLMGOQPHZZAB-UHFFFAOYSA-N 326.392 4.332 0 50 EIAA Cc1cc(C)nc(NC(=O)N2CCC[C@@H]2c2cc(F)ccc2F)c1 2325895333 YMTJEMQSEGDSGC-MRXNPFEDSA-N 331.366 4.346 0 50 EIAA COc1cccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)c1OC 124156 YAHRTZMMRQBGOI-KRWDZBQOSA-N 333.387 4.331 0 50 EIAA O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1F 130209 MDRTWUHANVRFCW-UHFFFAOYSA-N 348.377 4.008 0 50 EIAA COc1cc(Br)c(CN[C@H]2CCCC[C@@H]2C)cc1OC 183496 UCXXVXIRWXGCGZ-FZMZJTMJSA-N 342.277 4.135 0 50 EIAA O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(F)cc1 190929 YOKJXMVSYHLFMR-UHFFFAOYSA-N 334.322 4.480 0 50 EIAA Nc1cc(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1 2532574 MAZWWXVKFBZQHK-UHFFFAOYSA-N 332.176 4.023 0 50 EIAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NC1CCCCCCC1 2793735 QACWJZXCPYVYHZ-LBPRGKRZSA-N 345.409 4.076 0 50 EIAA Cc1ccccc1Cn1cc(NC(=S)N[C@H]2CCCC[C@H]2C)cn1 2799318 DKHVMMHKFIWGCP-QAPCUYQASA-N 342.512 4.105 0 50 EIAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 4839860 ZMTATFRVBYWISR-ZDUSSCGKSA-N 328.437 4.073 0 50 EIAA S=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)NC1CCCC1 5041689 FXBDQYAJIFDJRX-UHFFFAOYSA-N 344.528 4.037 0 50 EIAA COc1cc2cc(NC(C)=O)cc(NCc3ccco3)c2cc1OC 5260766 UCCQMFNXRVDJNH-UHFFFAOYSA-N 340.379 4.021 0 50 EIAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 12138246 MADXEUMTBKLHBE-GFCCVEGCSA-N 330.815 4.121 0 50 EIAA Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2ccncc2)C1 12308996 SMMCKWUMPHZVKZ-HXUWFJFHSA-N 336.479 4.194 0 50 EIAA CN(Cc1cccnc1)C(=O)C[C@@H](c1ccccc1)c1ccccc1F 12373701 LYMBWAWSLMDDKA-FQEVSTJZSA-N 348.421 4.401 0 50 EIAA CCCCc1ccc(S(=O)(=O)Nc2ccc(OC)cc2C)cc1 14223695 VFHLMHYXFUELCP-UHFFFAOYSA-N 333.453 4.147 0 50 EIAA Cc1cccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 19360243 PSVANIBMLTVJAC-UHFFFAOYSA-N 348.412 4.332 0 50 EIAA CCn1nccc1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(Cl)c1 21791733 HLQPGPGNMBQUJB-HNNXBMFYSA-N 332.835 4.234 0 50 EIAA COc1ccccc1CN(Cc1ccc2c(C)cc(=O)oc2c1)C1CC1 55401402 CZCMKPMFKVNZJR-UHFFFAOYSA-N 349.430 4.275 0 50 EIAA CCC(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 67833376 AUCVQEMKUUIXIA-UHFFFAOYSA-N 331.419 4.038 0 50 EIAA Cc1nnc(-c2cccc(-c3ccc([C@H](C)N4CCOCC4)cc3)c2)o1 67935240 QSHBNPCHGPYYNS-HNNXBMFYSA-N 349.434 4.105 0 50 EIAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c[nH]nc1C1CCCCC1 92028778 WFCTUQRCLPQZLQ-INIZCTEOSA-N 342.443 4.040 0 50 EIAA FC(F)(F)c1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100716280 HAVIERNSKBMMJW-MRXNPFEDSA-N 342.324 4.353 0 50 EIAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2c(c1)CCCC2 221280136 WAOMHDSGZATXIQ-UHFFFAOYSA-N 345.446 4.228 0 50 EIAA C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc2ccccc12 247622875 UAXNCBTXCBJXSP-GAZPGATBSA-N 338.451 4.158 0 50 EIAA O=C(c1cccc(CO)c1)N(Cc1cccs1)Cc1cccs1 252494650 OAXIIBHAMRKGSF-UHFFFAOYSA-N 343.473 4.145 0 50 EIAA CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccccc2)c2ccccc21 1181928687 PAXPDJKJZOPQER-INIZCTEOSA-N 338.407 4.164 0 50 EIAA O=C(O)COc1cccc(C=C(Cl)c2nc3cc(F)ccc3o2)c1 1857530668 WTWPGZLTLKBYHP-UHFFFAOYSA-N 347.729 4.167 0 50 EIAA c1cc2c(cc1-c1csc(-c3coc(C4CC4)n3)n1)OCCO2 1875303188 AINJTMBGRVBTCD-UHFFFAOYSA-N 326.377 4.114 0 50 EIAA C/C=C/COc1ccc(CC[C@H](C)NC[C@@]2(O)CCC[C@@H]2C)cc1 1875333925 PWISFODCKMODBA-ZVLBQXDRSA-N 331.500 4.103 0 50 EIAA CC[C@@H](C)Cc1nc(-c2ccnn2C(C)C)n(-c2cccc(C)n2)n1 2100554862 DJQONHLKMYYWRK-CQSZACIVSA-N 338.459 4.004 0 50 EIAA Cc1cc(C)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 244241 LPBBTFAYJQRPQA-UHFFFAOYSA-N 335.447 4.469 0 50 EIAA COc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 318520 WCGADEHBKWFWCA-UHFFFAOYSA-N 330.434 4.036 0 50 EIAA COc1ccc([C@@H](O)c2nc3ccccc3n2Cc2ccccc2)cc1 432250 FGRMHATUCKBIJV-OAQYLSRUSA-N 344.414 4.175 0 50 EIAA O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1Br 450031 USOAVRGDFFAZTM-UHFFFAOYSA-N 334.257 4.004 0 50 EIAA COc1ccc([C@@H](CC(=O)NCc2ccco2)c2ccccc2)cc1 465508 ONNSTQBTSKTCDJ-FQEVSTJZSA-N 335.403 4.127 0 50 EIAA Cc1cccc2c(=O)c(Br)c(C)n(Cc3ccccc3)c12 473033 KUIDXTWRUWDHIQ-UHFFFAOYSA-N 342.236 4.429 0 50 EIAA O=C(COC(=O)c1cc(Cl)ccc1O)c1ccc2ccccc2c1 571986 DBEXHSWZBLMNHP-UHFFFAOYSA-N 340.762 4.239 0 50 EIAA CCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1 999958 HZIQWUMIUQXOAG-UHFFFAOYSA-N 335.407 4.043 0 50 EIAA Cc1c(OCC(=O)C(C)(C)C)ccc2c(C(F)(F)F)cc(=O)oc12 1165201 MSMJCQUKPFZRBY-UHFFFAOYSA-N 342.313 4.114 0 50 EIAA COc1ccc(N2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 1210077 KTHTUCBCYIXGHF-GDNBJRDFSA-N 329.352 4.075 0 50 EIAA CCCOC(=O)c1c(-c2ccc(Br)cc2)csc1N 2088211 GKEDOMVAFMPVOE-UHFFFAOYSA-N 340.242 4.327 0 50 EIAA Cc1ccc(SCCC(=O)NCCSc2ccccc2)cc1 2855706 MLBBMUYWXPNQOH-UHFFFAOYSA-N 331.506 4.386 0 50 EIAA COc1cc(C=O)ccc1OCCOc1ccc(Cl)cc1Cl 2985199 JOIPYIYLPJOGBU-UHFFFAOYSA-N 341.190 4.272 0 50 EIAA COc1ccc(CNCC2(c3ccccc3)CCCC2)c(OC)c1 4729403 NRVSVSQKBZKIII-UHFFFAOYSA-N 325.452 4.305 0 50 EIAA CCC(CC)C(=O)Nc1nc2ccc(Br)cc2s1 5454802 LFZYGYFBESYLOV-UHFFFAOYSA-N 327.247 4.434 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)[C@H](CC)Oc2ccccc2C)c1 9230823 XKZRCZXHUMBAOC-KRWDZBQOSA-N 340.423 4.140 0 50 EIAA CC(C)CC(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 12382095 AGKIHUSHGWMYBP-UHFFFAOYSA-N 348.512 4.238 0 50 EIAA O=C(NCCc1ccco1)c1ccc2nc(C3CCCCC3)oc2c1 12754780 VNEUXBPCNVSYMS-UHFFFAOYSA-N 338.407 4.441 0 50 EIAA O=C(Nc1cccc(Cl)c1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O 15905913 OYVFIQFRISRYST-ZACCUICWSA-N 326.223 4.327 0 50 EIAA C[C@@H]1CC[C@@H](C)P1C1=C(P2[C@H](C)CC[C@H]2C)C(=O)N(C)C1=O 43763899 FEGBWCLLHLHNHF-FDYHWXHSSA-N 339.356 4.302 0 50 EIAA Cc1c[nH]c(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)c1 72164931 IKANKDOPKHXPQY-SFHVURJKSA-N 325.456 4.163 0 50 EIAA CCc1ccc(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1 72446725 LZUYWRPLGQJMEG-UHFFFAOYSA-N 333.391 4.392 0 50 EIAA Cc1nccn1C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 82162057 ACPKHTJNIGSXHA-QGZVFWFLSA-N 339.483 4.041 0 50 EIAA CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](C)Oc1ccccc1)CCC2 119220571 BLFVSOJESGSMGB-BBRMVZONSA-N 344.480 4.009 0 50 EIAA CC(C)(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)(C)C)CO3)c2)=N1 140043154 KFPRVQMSDHGRIS-HZPDHXFCSA-N 328.456 4.070 0 50 EIAA Cc1cc(C)c(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)o1 176003260 MBWBRYPSWPGRGP-UHFFFAOYSA-N 338.382 4.446 0 50 EIAA C[C@@H](c1ccncc1)N(C)Cc1csc(COc2ccccc2)n1 179678774 YQUDVRLGPOHDCW-HNNXBMFYSA-N 339.464 4.310 0 50 EIAA CC(C)(C)OC(=O)NCCc1cccc(-c2cccc(C=O)c2)c1 230461637 SOUDBWCGTRYBRY-UHFFFAOYSA-N 325.408 4.233 0 50 EIAA C[C@@H](NC(=O)Nc1ccsc1Cl)[C@@H]1OCCc2sccc21 297871660 QEQLQGLUETZQTF-PELKAZGASA-N 342.873 4.287 0 50 EIAA O=C(Nc1nc2ccccc2n1CC1CC1)c1scnc1C(F)F 906227340 APJKUJHPVUIVDD-UHFFFAOYSA-N 348.378 4.093 0 50 EIAA C[C@H](NC(=O)c1cc2ncccc2s1)c1cccc(OC(F)F)c1 1875324915 NYGTWSCIJNECLH-JTQLQIEISA-N 348.374 4.389 0 50 EIAA O=C1OCCc2ccc(NCc3cccc(-c4ccncc4)c3)cc21 1875338978 RWPXCXQICAZXBI-UHFFFAOYSA-N 330.387 4.074 0 50 EIAA CN(C(=O)Cc1ccc(NCc2ccncc2F)cc1)c1ccccc1 1875339504 MPBDDMGNEZITAP-UHFFFAOYSA-N 349.409 4.038 0 50 EIAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccco1 91893 YLAQOFHBRHDIGK-UHFFFAOYSA-N 347.417 4.499 0 50 EIAA aggregator CCOc1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 145609 HVUBGNRHSMMVRB-UHFFFAOYSA-N 339.313 4.122 0 50 EIAA O=C(OCc1ccc(Cl)cc1)c1ccccc1Br 572015 FXHJZWWVZKLHGL-UHFFFAOYSA-N 325.589 4.460 0 50 EIAA O=C(O)CCCSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2513425 HLMUIBMDGMZWFE-UHFFFAOYSA-N 342.342 4.119 0 50 EIAA COc1ccccc1/C=C/C(=O)NCCSCc1ccc(C)cc1 2814706 NDYUXDPNSYBPFG-VAWYXSNFSA-N 341.476 4.066 0 50 EIAA CC[C@@H](COC(=O)Nc1cccc(C)c1C)NC(=O)OCC(C)C 2872908 FZOQNKPLWGEAQZ-HNNXBMFYSA-N 336.432 4.013 0 50 EIAA CCOC(=O)c1c(-n2c(C)cc(C=O)c2C)sc2c1CCCC2 4499608 IWAQYICUTFQLPL-UHFFFAOYSA-N 331.437 4.024 0 50 EIAA COc1cccc2cc(C(=O)Nc3cc(Cl)ccc3C)c(=O)oc12 5092241 UYGUMHACBNMZBF-UHFFFAOYSA-N 343.766 4.016 0 50 EIAA CCCCC(=O)Nc1sccc1C(=O)N[C@H](C)c1ccccc1 6397921 XAYQJMNYCPTHOG-CYBMUJFWSA-N 330.453 4.368 0 50 EIAA Cc1cc(C(=O)Cn2c(C)nc3ccccc32)c(C)n1Cc1ccco1 10008799 CHHDIIVUAUHZJM-UHFFFAOYSA-N 347.418 4.287 0 50 EIAA c1ccc(-c2ncc3c(n2)CCC[C@H]3NC2CCSCC2)cc1 12058241 WCWFWIROLSYYDJ-QGZVFWFLSA-N 325.481 4.006 0 50 EIAA CSc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 12227990 DRQMPCLQSVPDLH-INIZCTEOSA-N 344.455 4.264 0 50 EIAA COc1c(F)c(F)c(C(=O)Nc2ccccc2Cl)c(F)c1F 14258224 XMZOSOMPNBIYNW-UHFFFAOYSA-N 333.668 4.157 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2c[nH]cn2)C1 20783902 NKQNZGUMANYFAO-FQEVSTJZSA-N 345.446 4.172 0 50 EIAA COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)no2)cc1 21791183 CFAQNKXPKBFGLR-LJQANCHMSA-N 348.402 4.328 0 50 EIAA Clc1ccc2nc(-c3nccn3CCCn3ccnc3)ccc2c1 67804264 YBJMSLLMIXVEKR-UHFFFAOYSA-N 337.814 4.039 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2ccc3[nH]c(C)nc3c2)c1 77426911 DVVZUAUYHVQHLN-HXUWFJFHSA-N 349.434 4.247 0 50 EIAA CSC[C@@H]1CCCN(C(=O)Nc2ccc(-c3cscn3)cc2)C1 95518927 CPDBMZMIQCUBJY-CYBMUJFWSA-N 347.509 4.417 0 50 EIAA CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1 96131485 KXYBVDRKNAEUNE-AWEZNQCLSA-N 330.350 4.128 0 50 EIAA Cc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1F 169775573 TVVKFOJLJOOCTR-UHFFFAOYSA-N 347.353 4.385 0 50 EIAA Cn1cncc1CCC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 170610626 PCNWJOIYVMVVNE-FQEVSTJZSA-N 339.483 4.181 0 50 EIAA COc1ccc(CNc2ncnc3ccccc23)c(C(F)(F)F)c1 170618564 ZBKULRHTDLPHQS-UHFFFAOYSA-N 333.313 4.269 0 50 EIAA COc1ccc(Cl)c(NC(=O)N2CCC(C(F)(F)F)CC2)c1 175670352 YLMZDEVREKBHLS-UHFFFAOYSA-N 336.741 4.155 0 50 EIAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H](C)c1ccc(Cl)cn1 194688595 QWHHXXKDVYVCTH-LBPRGKRZSA-N 334.851 4.092 0 50 EIAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)c1cccc(O)c1 194955720 RGKVBYGSOFLQSW-MNOVXSKESA-N 341.377 4.180 0 50 EIAA Cc1cc2cc[nH]c2cc1NC(=O)c1oc(Br)cc1C 408514249 GDXANBVPJRHQCZ-UHFFFAOYSA-N 333.185 4.393 0 50 EIAA CC(F)(F)c1ccccc1NC(=O)NC[C@@H]1CCC2(CCCC2)O1 654105776 VDJUEBXXYSJNSP-ZDUSSCGKSA-N 338.398 4.412 0 50 EIAA CC(C)Cc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)c(O)n1 904235696 TXROWRYMKXNLBB-UHFFFAOYSA-N 348.406 4.108 0 50 EIAA CC(C)c1nc([C@H]2CCCN2C(=O)c2cc(F)cc3ccoc23)no1 933707203 QDECYRRKQJYSFV-CQSZACIVSA-N 343.358 4.056 0 50 EIAA CC(C)N(CCc1c[nH]c2ccccc12)C(=O)c1cc(Cl)cn1C 952870194 WXSGBGVPUAKUFZ-UHFFFAOYSA-N 343.858 4.253 0 50 EIAA Cc1ccc2c(NCc3cc(COC(C)(C)C)on3)ccnc2c1 2325789518 VEFMZHZKPPVZQU-UHFFFAOYSA-N 325.412 4.458 0 50 EIAA CCc1ccccc1OCC(=O)Oc1ccc(C)cc1Br 131303 ITTUGNAGFCKMMI-UHFFFAOYSA-N 349.224 4.304 0 50 EIAA c1csc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)c1 256979 PMETYXBQUNKSFZ-UHFFFAOYSA-N 326.450 4.336 0 50 EIAA O=C(O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 467098 CGOKFXLGXPLHTI-UHFFFAOYSA-N 333.343 4.429 0 50 EIAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)c1 2817702 KVKNEPHNDRRFMN-HOTGVXAUSA-N 348.229 4.415 0 50 EIAA CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1C 4884437 MWDVSQFICWQUPR-UHFFFAOYSA-N 348.446 4.478 0 50 EIAA COc1ccccc1-c1cnn2c(NCc3ccccc3)cc(C)nc12 5345313 OVDRNBAKSVSDHU-UHFFFAOYSA-N 344.418 4.325 0 50 EIAA CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1nccs1 11907428 WPIKFUJJCORBAU-CYBMUJFWSA-N 329.450 4.201 0 50 EIAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccccc2o1)CC3 12296747 SXTJZTGQCKJPNN-UHFFFAOYSA-N 346.386 4.121 0 50 EIAA biogenic CC[C@H](C)c1ccc(NC(=S)NCCn2cc(Cl)cn2)cc1 13519099 QNZNHGWSZHJTKF-LBPRGKRZSA-N 336.892 4.037 0 50 EIAA Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC[C@H]1CCCO 14978647 WLPVKABDFRLXSZ-KRWDZBQOSA-N 348.874 4.430 0 50 EIAA CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)on1 33270081 UIPGJVMIERNFKP-INIZCTEOSA-N 332.831 4.358 0 50 EIAA CCc1ncc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 71746854 QJCCQCYKZUDUGV-HNNXBMFYSA-N 345.437 4.162 0 50 EIAA CC(C)Sc1ccccc1NC(=O)NCCCNc1cccnc1 96132542 XCBDDKDICQZWQF-UHFFFAOYSA-N 344.484 4.206 0 50 EIAA Cc1ccc(C)c(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)c1 101664952 ITDWWELSBGGRPZ-IDPBPBMLSA-N 347.458 4.486 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)NC1(c2ccc(F)cc2F)CCC1 129983911 TWIFUGQZISLEJV-UHFFFAOYSA-N 347.365 4.340 0 50 EIAA O=C(Nc1cc(F)ccc1Br)c1ccc2ncccc2c1 156150098 GOYPGIJKSLDLDX-UHFFFAOYSA-N 345.171 4.389 0 50 EIAA CCCN(C(=O)c1cnc(C(F)(F)F)nc1)c1ccc(Cl)cc1 156712651 VGHICEMEDCZERJ-UHFFFAOYSA-N 343.736 4.206 0 50 EIAA O=C(Nc1ccc(Cl)cc1F)c1csc([C@H]2CCCO2)n1 157926304 VGXSEMFFWNLAAF-GFCCVEGCSA-N 326.780 4.039 0 50 EIAA CC(=O)N1CCC[C@H](c2nc(Cc3ccccc3Cl)cs2)C1 225745839 HVMYHTHYJLAUFT-AWEZNQCLSA-N 334.872 4.113 0 50 EIAA Cc1cc(-c2ccc(C(=O)N(C)CC3(CO)CCC3)cc2)ccc1F 299798740 TWQJWBPGQVPFEL-UHFFFAOYSA-N 341.426 4.036 0 50 EIAA CC(C)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1 1210228977 NHSDBQCJWDCJOM-BEFAXECRSA-N 329.465 4.192 0 50 EIAA CC[C@H](NCc1cccc(-c2ccncc2)c1)[C@H](O)c1ccccc1 1875339110 WRXOSWJROQMYTA-FCHUYYIVSA-N 332.447 4.350 0 50 EIAA Cc1ccc(C)c([C@H](O)COc2ccc(OCc3ccncc3)cc2)c1 2325705571 JFQBQTOHOKDKGN-JOCHJYFZSA-N 349.430 4.390 0 50 EIAA Cc1ncc(CN2CCCC[C@H]2Cc2ccccc2-c2ccncc2)[nH]1 2325755949 YBRJJNBESPVFPP-NRFANRHFSA-N 346.478 4.377 0 50 EIAA O[C@@H](CNCc1cccc2ccsc12)Cc1cccc(Cl)c1 2325870378 VLGJEILNJSUPPB-QGZVFWFLSA-N 331.868 4.248 0 50 EIAA CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1 1442 YMRFZDHYDKZXPA-UHFFFAOYSA-N 342.508 4.198 0 50 EIAA in-man O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1c1ccc(F)cc1 70047 RBALCGIVRZLMBV-LJQANCHMSA-N 334.350 4.302 0 50 EIAA C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C(=O)O)C1 91509 NTEUUFPJLRNUGN-BREXMAIKSA-N 347.461 4.285 0 50 EIAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(F)(F)F 141071 BMWCXZNJDGHYMO-UHFFFAOYSA-N 343.326 4.093 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 366317 FVAOBAAJFRWURS-UHIISALHSA-N 330.255 4.456 0 50 EIAA Cc1ccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)cc1 540732 WKIVZXHIUHLILC-MRXNPFEDSA-N 344.418 4.134 0 50 EIAA Fc1ccc(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 572909 PIGSRJAHZHGMMX-OAHLLOKOSA-N 338.386 4.103 0 50 EIAA CCc1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1 857465 ZJUXIBXMHQLVNH-SFHVURJKSA-N 346.430 4.192 0 50 EIAA CCCc1cc(=O)oc2cc(C)cc(OC(=O)c3cccs3)c12 858802 CJPIEAUXYWNZFC-UHFFFAOYSA-N 328.389 4.335 0 50 EIAA CC(=O)Nc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 1752818 CYHPKMCNJFHUMW-UHFFFAOYSA-N 337.301 4.308 0 50 EIAA Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccs1 4033112 KTRIAPGQNXVGQN-UHFFFAOYSA-N 334.404 4.019 0 50 EIAA CCN(Cc1ccccc1)C(=O)C1CCN(C[C@H]2CC=CCC2)CC1 4725496 TWBHDJQJUKMJBU-IBGZPJMESA-N 340.511 4.103 0 50 EIAA Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 4834364 KLOMBRLHPDMKLW-CYBMUJFWSA-N 348.240 4.472 0 50 EIAA Cc1cc(NCc2cccnc2)n2ncc(-c3ccccc3Cl)c2n1 5268479 SQQCWUFBROSEFP-UHFFFAOYSA-N 349.825 4.365 0 50 EIAA COc1ccccc1N1CCN(Cc2cccc3ccccc23)CC1 19536452 WTZCWBWHXYBJIV-UHFFFAOYSA-N 332.447 4.171 0 50 EIAA Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3Cl)c2)nn1 72437121 UVIXYIDFXBMKBW-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA c1ccc(-c2cc(CNc3ccc(O[C@@H]4CCOC4)cc3)on2)cc1 132271176 GEHXJOCLDDXNAS-GOSISDBHSA-N 336.391 4.121 0 50 EIAA COc1cc(F)c(NC(=O)c2ccc3nc(C)ccc3c2)cc1F 151727412 JJIJCNPCYWYERC-UHFFFAOYSA-N 328.318 4.082 0 50 EIAA CC(C)C1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1 169833373 UBXTVJCSFGEZPO-UHFFFAOYSA-N 340.542 4.052 0 50 EIAA Oc1cccc2c1CCN2Cc1csc(-c2ccc(F)cc2)n1 170598110 CDJYDWBSYGZSOI-UHFFFAOYSA-N 326.396 4.218 0 50 EIAA Cc1nc(CO[C@@H]2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 170599806 GLUPPYLBLSRCQS-SWLSCSKDSA-N 349.500 4.089 0 50 EIAA Cc1noc2ncnc(N[C@H](C)c3ccc(OCC4CC4)c(F)c3)c12 192488051 UBHHXORYHHUQIP-SNVBAGLBSA-N 342.374 4.027 0 50 EIAA C[C@H](c1ccccn1)N(C(=O)NC[C@H]1C[C@H]1c1ccccc1)C1CC1 241738549 QYLCXFPIMIRXQI-SUMDDJOVSA-N 335.451 4.120 0 50 EIAA C[C@H](NC(=O)CSC/C=C/c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 248382266 WIOSODTYXFGKFS-UVPUCRTLSA-N 329.509 4.374 0 50 EIAA CC(C)c1noc([C@H](C)N[C@H](CN(C)Cc2ccccc2)C(C)C)n1 252536906 JTCSSKWSNMLIMV-FUHWJXTLSA-N 344.503 4.000 0 50 EIAA Cc1ccc(-n2nccc2-c2ccc(Br)cc2O)cc1 328579126 SQMYFMOULSHUBA-UHFFFAOYSA-N 329.197 4.316 0 50 EIAA c1cncc([C@@H]2CCCN2Cc2ccc(Oc3cnccn3)cc2)c1 348921545 OAWIIBINNWFYLW-IBGZPJMESA-N 332.407 4.001 0 50 EIAA CC(C)n1cc2ccc(NC(=O)c3ncccc3C(F)(F)F)cc2n1 356871329 USHZLBDFVLGYAL-UHFFFAOYSA-N 348.328 4.283 0 50 EIAA O=C(c1cc(-c2cccs2)n(-c2ccccc2)n1)N1CC[C@@H]1C1CC1 452496247 GEVKRDDXMKPXJT-QGZVFWFLSA-N 349.459 4.225 0 50 EIAA CCCCc1ccc(N(C)C(=O)c2ccnc(Br)c2)cc1 758260785 IJQUABODZGFMSW-UHFFFAOYSA-N 347.256 4.463 0 50 EIAA CSCc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 1772491374 HOFYOCAJJQYHOY-UHFFFAOYSA-N 331.253 4.023 0 50 EIAA Cc1ccccc1C[C@H](CO)CN[C@@H](C)c1ccc(OC(C)C)cc1 2325842313 UOODNOGJTWGGGI-OALUTQOASA-N 341.495 4.284 0 50 EIAA CCOc1ccccc1OCC(=O)Oc1cc(C)c(Cl)c(C)c1 145719 FTAWWILODWYESV-UHFFFAOYSA-N 334.799 4.340 0 50 EIAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 147014 LHKNVRRXZKOGJD-UHFFFAOYSA-N 331.371 4.377 0 50 EIAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(OC)ccc1OC 359091 RNROPNMMDMAYSB-CQSZACIVSA-N 343.423 4.235 0 50 EIAA Cc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C(C)C)n2)cc1 1062243 YXGISZBXKQXBIO-UHFFFAOYSA-N 349.434 4.025 0 50 EIAA CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1ccccc1 1386393 UOKBQRHASFNSSP-UHFFFAOYSA-N 336.416 4.472 0 50 EIAA COc1ccc(C)cc1NC(=O)CCCOc1cc(C)ccc1C 1779259 VNQCPKRGGSRFQV-UHFFFAOYSA-N 327.424 4.418 0 50 EIAA CC(C)(C)c1cc(C(=O)NCCCn2ccnc2)cc(C(C)(C)C)c1 2180636 NNEUZEKZBBBZPG-UHFFFAOYSA-N 341.499 4.298 0 50 EIAA Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1Cl 2513687 XYSMGZIKTPWECD-UHFFFAOYSA-N 329.831 4.003 0 50 EIAA Cc1cc2n(n1)[C@@H](C(F)F)C[C@H](c1ccc(Br)cc1)N2 2785985 NMPNSWXPMITRFR-VXGBXAGGSA-N 342.187 4.317 0 50 EIAA CC(=O)Nc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 4858560 KQNBDNTYOFOSOB-UHFFFAOYSA-N 348.855 4.170 0 50 EIAA COc1ccc(S(=O)(=O)NCCC2=CCCCC2)c2ccccc12 5555571 WOFFKAUVJPTNQU-UHFFFAOYSA-N 345.464 4.017 0 50 EIAA CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 12138422 LGLRAXWJRJOUNY-GFCCVEGCSA-N 330.815 4.121 0 50 EIAA O=C(C1CCC1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 12595592 JZZXAZSJEWTMSU-NRFANRHFSA-N 349.474 4.236 0 50 EIAA CC(C)n1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3ccccc3n2)cn1 63855425 VTRSBXDRLXSNQB-HNNXBMFYSA-N 348.450 4.304 0 50 EIAA CC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccncc1 72150000 NOERHVAKXDTFKS-QGZVFWFLSA-N 329.407 4.355 0 50 EIAA CCOC[C@H]1CCCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 173035458 BHHBWYHXHMGCKI-AWEZNQCLSA-N 347.480 4.107 0 50 EIAA CCc1nnc(-c2cccc(N[C@@H]3CCc4c(cccc4OC)C3)c2)o1 192447444 LQEZPMYLWSZOTJ-QGZVFWFLSA-N 349.434 4.277 0 50 EIAA C[C@@H](C(=O)Nc1cc2c(cc1Br)CCC2)c1cccnc1 195204137 LNXDMWZJDGTRMD-LLVKDONJSA-N 345.240 4.075 0 50 EIAA COc1cc(C(=O)N2CCC(F)(F)CC2)cc(Cl)c1OC(C)C 252503500 VEAFPDOWUHFDHD-UHFFFAOYSA-N 347.789 4.007 0 50 EIAA Cn1ccc2ccc(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)cc21 253412044 PSILJCBBADSAME-IBGZPJMESA-N 343.430 4.467 0 50 EIAA biogenic C[C@@H]1C[C@@H](NC(=O)N2CCCC3(CCCCC3)CC2)c2nccn21 334068632 FLLWWHBCZOZJJG-HZPDHXFCSA-N 330.476 4.035 0 50 EIAA Cn1nc(-c2ccsc2)cc1NC(=O)C[C@@H]1C[C@H]1c1ccccc1 341650673 HZQNUKMQXRPFEP-HOTGVXAUSA-N 337.448 4.281 0 50 EIAA Cc1sc(C(=O)O)cc1CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 408521819 KIUVEULBXKTGFZ-ABAIWWIYSA-N 333.428 4.272 0 50 EIAA CC1CCC(=Cc2nnc([C@@H]3CCCO[C@H]3c3nccn3C)o2)CC1 886084553 IURWWGBWSAZKFX-RJPUVWTNSA-N 342.443 4.032 0 50 EIAA COc1cccc(-c2nc(N(C)C[C@@H]3C[C@H]3C)c3ccccc3n2)c1 1875359037 RRFFJAAXPFRESZ-ZBFHGGJFSA-N 333.435 4.398 0 50 EIAA COc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc1Cl 309599 MEWFGFQNBIGILG-UHFFFAOYSA-N 348.855 4.092 0 50 EIAA O=C1N[C@@H](Cc2ccccc2)C(c2ccccc2)(c2ccccc2)O1 404183 XVHANMSUSBZRCX-FQEVSTJZSA-N 329.399 4.281 0 50 EIAA Cc1cc(Br)c(NC(=O)C(Cl)(Cl)Cl)cc1C 2172268 ONQRVDJIEIGAFH-UHFFFAOYSA-N 345.451 4.375 0 50 EIAA COc1ccc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1 2434592 YFAIWWNUMQHALX-UHFFFAOYSA-N 336.387 4.259 0 50 EIAA O=c1[nH]c2ccccc2n1CCCSc1nc2ccccc2s1 2898860 QQQCCDQWCQUDBS-UHFFFAOYSA-N 341.461 4.122 0 50 EIAA CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)cc1 2983664 QWWBBNCYIBMBFB-UHFFFAOYSA-N 342.464 4.301 0 50 EIAA Cc1ccc(-c2noc(CCCC(=O)Nc3cccc(C)c3)n2)cc1 4810980 PPFOYUGJDZVINO-UHFFFAOYSA-N 335.407 4.315 0 50 EIAA Cc1c(C(=O)Nc2ccccc2Cl)oc2c1[C@H](O)CC(C)(C)C2 4851502 DMROTABFISTKQW-CYBMUJFWSA-N 333.815 4.500 0 50 EIAA FC(F)(F)c1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1 6701821 JZQWXSMKMWNHIC-UHFFFAOYSA-N 334.253 4.151 0 50 EIAA c1ccc(N[C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1 11938622 HVDVNMUZBSAZHK-QGZVFWFLSA-N 338.480 4.010 0 50 EIAA Cc1cccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)n1 12319749 FXRSVCJYTMRVIJ-INIZCTEOSA-N 328.843 4.138 0 50 EIAA O=C(c1cc(Cl)ccc1F)N1CCC[C@@H](Nc2ccccc2)C1 12431718 FKWOGDDSLJQNGH-OAHLLOKOSA-N 332.806 4.196 0 50 EIAA C[C@@H]1CN(CCn2c3ccccc3c3cc(Cl)ccc32)CCN1C 20536864 KSYZLPHSZSDIHK-OAHLLOKOSA-N 341.886 4.084 0 50 EIAA CC[C@@H](C)N(Cc1ccncc1)C(=O)c1cc2cc(OC)ccc2[nH]1 55154540 VHTCQXJGWZRDGW-CQSZACIVSA-N 337.423 4.012 0 50 EIAA Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccc(O)cc3)C2)cc1 67691673 MGEDQPGACPZYKD-IBGZPJMESA-N 347.462 4.470 0 50 EIAA Cc1ccccc1-c1ncc(-c2nccn2Cc2cccnc2)s1 67983460 YFTRGSFJAMBFTB-UHFFFAOYSA-N 332.432 4.425 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1CCn1ccnc1 72147119 ROUYCCWZLPFMQB-HNNXBMFYSA-N 346.862 4.322 0 50 EIAA CSc1ccc(NC(=O)NCCCc2nc(C)c(C)s2)cc1 96131426 ZTBSVUKJKAPVIY-UHFFFAOYSA-N 335.498 4.236 0 50 EIAA COc1ccc([C@@H](NCc2nc(C)cs2)c2ccc(F)cc2)cc1 117384120 XSFKDUNHNCZJSM-IBGZPJMESA-N 342.439 4.478 0 50 EIAA CSc1ccc(C)c(C(=O)NCc2nc(C(F)(F)F)cs2)c1 153210615 LNPNRNBGUIEYAD-UHFFFAOYSA-N 346.399 4.122 0 50 EIAA Cc1cc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)no1 172054208 WSZSQARTVHUMLT-QGZVFWFLSA-N 346.839 4.146 0 50 EIAA CC(C)(C)Oc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1 175711612 BJVVPGYTWDMIRF-UHFFFAOYSA-N 345.483 4.428 0 50 EIAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCC[C@H]1c1ccncc1 184497327 NTGPEMPTQUEPAT-INIZCTEOSA-N 343.814 4.039 0 50 EIAA COc1ccc(C(=O)N2CCCC2)cc1N[C@@H]1CCCc2occc21 193204243 VIMDDOFIVFQNKX-MRXNPFEDSA-N 340.423 4.014 0 50 EIAA Cc1cc([C@H](C)NCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)s1 194562318 AUGQHSPAQWXROH-JTQLQIEISA-N 347.509 4.131 0 50 EIAA CC(=O)c1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cs1 216013368 WSVVCCMOQCEZKR-UHFFFAOYSA-N 338.432 4.237 0 50 EIAA Cc1nc([C@@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 252484032 FMMFXSOZIOFIBL-YMTOWFKASA-N 325.334 4.199 0 50 EIAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1O 257350516 YATPIFKIZZKJFX-ZRDSLKBOSA-N 334.500 4.322 0 50 EIAA C[C@@H]1CN(C(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)CCCO1 933829344 KYUKMFCTDJHOMR-OAHLLOKOSA-N 349.434 4.478 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OC(F)F)cc1)C2 1704337724 CGTJTAZOXNGVKF-AEFFLSMTSA-N 325.399 4.069 0 50 EIAA NC1(c2ccc(-c3ccc(C(F)(F)F)cc3O)cc2)CC(F)C1 2325839371 QXDMATXEPVKYFI-UHFFFAOYSA-N 325.305 4.364 0 50 EIAA Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2)c2ccccc2)cc1 72602 GNHTUHAKLRCKBW-QFIPXVFZSA-N 347.458 4.442 0 50 EIAA Cc1ccccc1C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 77576 BOESBUNSKATOBG-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA CCCc1ccc(OCc2ccc(C(=O)N3CCSCC3)o2)cc1 115353 ATIOENCTHUBCFS-UHFFFAOYSA-N 345.464 4.000 0 50 EIAA COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 222197 LHMPORLAEDKRHM-SJORKVTESA-N 340.814 4.086 0 50 EIAA C[C@H]1C[C@H](C)CN(CCOCCOc2c(Cl)cccc2Cl)C1 2822565 QJSHTIFNZQUCQL-KBPBESRZSA-N 346.298 4.367 0 50 EIAA CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)O)cc1 4825607 HXPIQCCCRUYAEI-UHFFFAOYSA-N 347.798 4.179 0 50 EIAA O=C(Nc1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 6446373 FWQBXVMQMYSFCA-UHFFFAOYSA-N 342.196 4.092 0 50 EIAA O=C(Nc1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1 6742132 WADCDLAUFRFNCJ-UHFFFAOYSA-N 330.378 4.451 0 50 EIAA C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1Cl 7058490 KCFPKMJCALFHOE-JTQLQIEISA-N 331.828 4.336 0 50 EIAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2ccccn2)C1 12448654 GQXJEJKGYWJGMI-OAHLLOKOSA-N 328.843 4.138 0 50 EIAA Cc1ccc([C@H](NC(=O)Cc2ccccc2C)c2cccnc2)cc1C 15839807 SROOZJZDJWVJKO-QHCPKHFHSA-N 344.458 4.455 0 50 EIAA CCc1cc([C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)on1 15866687 BFVQBBHIANXHQA-SOZFHFLDSA-N 328.456 4.117 0 50 EIAA Cc1cc(Cl)ccc1NC(=O)c1ccc(Cn2ccnc2)cc1 38849535 MCQZJUFZDQYACY-UHFFFAOYSA-N 325.799 4.146 0 50 EIAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCSCC1 55341519 CGEMOWCFIUNUNK-UHFFFAOYSA-N 342.386 4.218 0 50 EIAA COc1ccc(-c2nc(COc3cccnc3C)c(C)o2)c(F)c1 67868119 OKBNVRUGHYNOHI-UHFFFAOYSA-N 328.343 4.080 0 50 EIAA CCCc1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)[nH]n1 91894943 ZVKXFQJAYDSCRS-GOSISDBHSA-N 329.419 4.259 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)CCC[C@@H]3CCCO3)c(C)c2c1 91997424 QVXUOTXHCIESMH-MRXNPFEDSA-N 328.456 4.124 0 50 EIAA CO[C@@H]1CCCN(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 95508098 NBVZJKFUQWHBSM-GOSISDBHSA-N 328.387 4.135 0 50 EIAA CC(C)Oc1ccccc1NC(=O)N1CCC[C@H]1c1nccs1 96165822 RQPRJDKYSKHVMY-AWEZNQCLSA-N 331.441 4.299 0 50 EIAA CCc1nc(C)c(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)o1 97528929 IWYLXTSTQHGUDQ-IBGZPJMESA-N 349.434 4.077 0 50 EIAA CC(=O)Oc1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)cc1 125595327 LIDHGVFCHJLMCZ-QFIPXVFZSA-N 346.430 4.019 0 50 EIAA Cc1cc(C(=O)Nc2cccc(N(C)C(=O)c3coc(C)c3)c2)co1 188310776 FSXWCVRIBWHCPJ-UHFFFAOYSA-N 338.363 4.018 0 50 EIAA CC(C)(C)c1cnc(CCc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)o1 193941245 ZDZXFCIVSYKMRU-LRDDRELGSA-N 347.459 4.059 0 50 EIAA COc1ccc(Oc2ncccc2NC(=O)c2ccoc2Cl)cc1 225476969 DPZLYMGOQFCWMX-UHFFFAOYSA-N 344.754 4.381 0 50 EIAA CC(=O)Nc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1 252480883 CFXIKBNOKFGONL-UHFFFAOYSA-N 345.811 4.160 0 50 EIAA CCSCCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 252490761 LAKOVHPWGDNPHI-KRWDZBQOSA-N 334.872 4.084 0 50 EIAA CC1(C)CN(Cc2cnc([C@H]3CCCO3)s2)Cc2ccccc2O1 290156828 LMSLNAYJSPBTBN-QGZVFWFLSA-N 344.480 4.168 0 50 EIAA CC(C)Cc1nc(-c2nc([C@@H]3CCOc4ccccc43)no2)cs1 356556861 ZQDWNBNFSCARIO-CYBMUJFWSA-N 341.436 4.306 0 50 EIAA COCC(C)(C)CNC(=O)c1cccc(-c2ccc(O)c(C)c2C)c1 584903267 MBCDIHQUOLXXLU-UHFFFAOYSA-N 341.451 4.078 0 50 EIAA Cc1c(Cl)cncc1NC(=O)N1CCC[C@H]1c1ccc(O)cc1 931580500 QEAGELBPQJQOQI-INIZCTEOSA-N 331.803 4.118 0 50 EIAA CCc1nccn1CCC(=O)N1CCCCC[C@H]1c1cccc(F)c1 952991785 SOANIIDXQJJSJJ-SFHVURJKSA-N 343.446 4.119 0 50 EIAA Fc1ccccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 1875321819 WWIVBJJNXOZZST-UHFFFAOYSA-N 337.276 4.209 0 50 EIAA COc1c(Cl)cc(Cl)cc1CNc1nc2ccccc2nc1N 2325824760 PHNZXZFBVNHJOP-UHFFFAOYSA-N 349.221 4.140 0 50 EIAA O=C([C@H]1CCNC12CCCC2)N1CC[C@@H](c2cccc3ccccc23)C1 2325870386 VMWXYTSKHFSKBA-WIYYLYMNSA-N 348.490 4.078 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 447779 ODJIVORCAQVBEU-UHFFFAOYSA-N 341.407 4.150 0 50 EIAA O=C(C(c1ccccc1)c1ccccc1)N1CC(c2ccccc2)C1 1139625 KPYUBOTWOVSASW-UHFFFAOYSA-N 327.427 4.445 0 50 EIAA CC(=O)C[C@](O)(c1ccc2c(c1)c1ccccc1n2C)C(F)(F)F 2220717 MSGSUQDUDXCKAI-KRWDZBQOSA-N 335.325 4.061 0 50 EIAA Cc1cc(NC(=O)C(Cl)(c2ccccc2)c2ccccc2)no1 2784909 QDDLMJNNIWUORA-UHFFFAOYSA-N 326.783 4.104 0 50 EIAA CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 2827075 LQODJMHXTIXKSN-CYBMUJFWSA-N 333.815 4.453 0 50 EIAA O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccccc2)cc1 2868660 VBOHFFMFNFVNFS-UHFFFAOYSA-N 343.382 4.029 0 50 EIAA CCCCN(CCCC)c1ncnc2c1cnn2Cc1ccccc1 2956999 CFDOUGOBOBCNBX-UHFFFAOYSA-N 337.471 4.281 0 50 EIAA S=C(NCc1ccccc1)NCc1ccc(Cl)cc1Cl 3282783 JDUDGNZJDVGISI-UHFFFAOYSA-N 325.264 4.158 0 50 EIAA S=c1n(CN2CCCCC2)c2ccccc2n1CN1CCCCC1 3683266 YDRGIXKKJVGSAW-UHFFFAOYSA-N 344.528 4.059 0 50 EIAA CCCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 14009858 MFNXVDRTUFMZIS-UHFFFAOYSA-N 338.451 4.376 0 50 EIAA C[C@@]12CCC3(C[C@@H]1C(=O)C[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12)OCCO3 25545658 LJKNOBNXTYYVSU-JLJUJHICSA-N 332.484 4.341 0 50 EIAA O=C(c1ccc[nH]1)N1CCc2onc(-c3cccc4ccccc34)c2C1 67842825 YYXWJXPFMNMDJF-UHFFFAOYSA-N 343.386 4.021 0 50 EIAA c1ccc(N2CCC3(CCCN3Cc3ccc4[nH]ccc4c3)CC2)nc1 72458932 GOPKJAVYAASGKN-UHFFFAOYSA-N 346.478 4.198 0 50 EIAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@@H]3C(F)(F)F)c2c1 77353298 FRPHLORFXAPHEV-OAHLLOKOSA-N 336.357 4.327 0 50 EIAA O=C(c1ccc2nccnc2c1)N1CCCC[C@H]1c1cccc(F)c1 77489762 BAGAJBIYVRXLON-IBGZPJMESA-N 335.382 4.136 0 50 EIAA CC(C)c1nc(CCNC(=O)Nc2ccc3ncsc3c2)cs1 95507717 CNZJPVAEBHFRQG-UHFFFAOYSA-N 346.481 4.240 0 50 EIAA CSc1ccc2nc(N3CCC([C@@H](C)N(C)C)CC3)cc(C)c2c1 96163216 WBIUOLSHVLRTHB-OAHLLOKOSA-N 343.540 4.432 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 101702238 MSGJBXBPJDFSGP-RRCSTGOVSA-N 349.352 4.187 0 50 EIAA CCc1ccc([C@H]2CCCCN2C(=O)Cc2nc(C)sc2C)o1 158709515 IKZSYCPNIAEXLC-MRXNPFEDSA-N 332.469 4.212 0 50 EIAA CC[C@@H](NCCc1nc(C(C)C)no1)c1cccc(Cl)c1F 161813147 ZSIROKPEWWNJOM-CYBMUJFWSA-N 325.815 4.269 0 50 EIAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C12CCCC2 170637048 QMAJNZKPUZRPQY-CHWSQXEVSA-N 345.270 4.131 0 50 EIAA O=C(NC1CCN(C2CCCCC2)CC1)c1ccc(Cl)cc1F 177251106 YOSUFLDVKJDUFC-UHFFFAOYSA-N 338.854 4.006 0 50 EIAA CCO[C@@H]1C[C@@H](Nc2ccc3oc(C4CC4)nc3c2)C12CCOCC2 186455065 FYXMRTXCAAZQJT-QZTJIDSGSA-N 342.439 4.091 0 50 EIAA CCN(Cc1ccc([C@@H]2CCCCO2)s1)Cc1c(C)nn(C)c1C 215958224 VKCHLEFHUKMDDL-SFHVURJKSA-N 347.528 4.362 0 50 EIAA CCn1ccc2cc(C(=O)N3CC[C@@H]3c3cccc(OC)c3)ccc21 216108587 BKXLFCMOQYNUCS-HXUWFJFHSA-N 334.419 4.257 0 50 EIAA Cc1ccc(NC(=O)CCN(C)Cc2csc(C(C)C)n2)cc1C 252488240 IOAUZQVTTFXNNK-UHFFFAOYSA-N 345.512 4.344 0 50 EIAA CC(=O)O[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CC[C@@H]3C[C@@]312 257346590 VGIBLOMXKRYQHG-QSTCDPIHSA-N 330.468 4.140 0 50 EIAA O=C(c1cc2n(n1)CCCC2)N1CCCC[C@H]1c1cc2ccccc2[nH]1 333534624 JTFRYMILAQRBIC-FQEVSTJZSA-N 348.450 4.068 0 50 EIAA c1ccc(Cc2ccc(OCc3nc(-c4ccoc4)no3)cc2)cc1 462692212 VOBPPLWPBYOIJV-UHFFFAOYSA-N 332.359 4.499 0 50 EIAA CCOc1ccccc1CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 584904384 WLKXQMWVHDLBJL-UNMCSNQZSA-N 342.527 4.314 0 50 EIAA O=C(Nc1ncccc1Cl)c1c(Cl)cccc1OCC1CC1 904111027 MDUGSUFJBQVRAG-UHFFFAOYSA-N 337.206 4.430 0 50 EIAA CC(C)c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c(O)n1 934374754 NMGGHYWCEPRPAO-CQSZACIVSA-N 344.377 4.152 0 50 EIAA Cc1cccc([C@@H](O)CN[C@@H](CCC(F)(F)F)c2cccnc2)c1 1875273105 UBDUBXDWEFNUQO-IRXDYDNUSA-N 338.373 4.097 0 50 EIAA Fc1cc(CCNc2ccnc3cnccc23)ccc1Br 2325854955 BCLSGZAPULLCKR-UHFFFAOYSA-N 346.203 4.186 0 50 EIAA O=C([C@H]1CCC2(CCC2)CN1)N1CC[C@@H](c2cccc3ccccc23)C1 2325870485 ZBUZCQRBSAYWTF-WIYYLYMNSA-N 348.490 4.078 0 50 EIAA CC[C@@H](C)c1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 121734 IQOVNHLCKPZXBD-CQSZACIVSA-N 327.424 4.399 0 50 EIAA biogenic CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)c1ccc(C)cc1 258298 SVPOIIMPJLMVLL-UHFFFAOYSA-N 336.387 4.234 0 50 EIAA COC(=O)[C@@H](C)N(C(=O)c1cccc(Cl)c1)c1c(C)cccc1C 297144 JZQRVFXZHUSDFR-CQSZACIVSA-N 345.826 4.165 0 50 EIAA COc1cc(OC)c(NC(=O)CCCc2ccccc2)cc1Cl 372007 XQQIPOIJBBCFQK-UHFFFAOYSA-N 333.815 4.319 0 50 EIAA O=C(Cc1ccccc1)c1ccccc1C(=O)NCCc1ccccc1 398461 TYBYYSUEWHBRIB-UHFFFAOYSA-N 343.426 4.085 0 50 EIAA O=C(Nc1nncs1)c1cc(-c2cccs2)nc2ccccc12 434039 IQIFCTPNMUVVEB-UHFFFAOYSA-N 338.417 4.067 0 50 EIAA CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)c3ccccc3)ccc12 450608 VKKTUKJLCLXTQU-CQSZACIVSA-N 336.387 4.314 0 50 EIAA CCc1ccc(OCC(=O)c2cc(CC)c(OC)cc2OC)cc1 459168 HNFJWVCLLKMTGI-UHFFFAOYSA-N 328.408 4.090 0 50 EIAA O=C(CSCc1ccccc1Cl)Nc1c(F)cccc1F 562853 XMGFCGFIWBHSHD-UHFFFAOYSA-N 327.783 4.490 0 50 EIAA O[C@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@H]1CCc1ccccc1 3884157 BBKPDCPIJZWWPW-PKOBYXMFSA-N 347.380 4.204 0 50 EIAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCOCC1 22077745 FETPWPDCBGIPRI-UHFFFAOYSA-N 337.419 4.249 0 50 EIAA O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccccc1Cl 28291977 QXJFHYRHOQQAFI-LJQANCHMSA-N 342.870 4.297 0 50 EIAA CCN(C/C=C/c1ccccc1)C(=O)CCc1nc2ccccc2[nH]1 55327948 PLFWQHWEKMFZFJ-DHZHZOJOSA-N 333.435 4.057 0 50 EIAA CCCCCn1cc(Oc2ccccc2)c(=O)c(C(=O)OCC)c1 55343703 APLMOXSPSNWBJP-UHFFFAOYSA-N 329.396 4.008 0 50 EIAA C[C@@H](c1ccncn1)n1ccnc1-c1nc(-c2ccccc2)cs1 72158415 PDDSQRFGAMTGHT-ZDUSSCGKSA-N 333.420 4.073 0 50 EIAA COc1ccc(F)c(F)c1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 77505690 IZXUNXCQYLCOBW-HNNXBMFYSA-N 349.352 4.480 0 50 EIAA COc1ccc(-c2ccc([C@H](C)NC(C)=O)cc2)c2ccc(C)nc12 96161901 DUFALGCJFZXCNM-AWEZNQCLSA-N 334.419 4.416 0 50 EIAA Cc1c(C(=O)N[C@H](C)c2cccc(F)c2F)cnn1C1CCCC1 119452190 MFTUWCHGILPQCS-LLVKDONJSA-N 333.382 4.076 0 50 EIAA Clc1ccc(C2(NCc3cc(Br)no3)CCC2)cc1 225618361 ORHIIAFTTLQFQJ-UHFFFAOYSA-N 341.636 4.260 0 50 EIAA Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 252694070 HVPVPQFZGNASDB-GDXXKUFXSA-N 326.484 4.056 0 50 EIAA biogenic c1nnc([C@H](NCc2ccc3sccc3c2)C2CCCCC2)[nH]1 293807925 VJZGVWBHBSANOJ-QGZVFWFLSA-N 326.469 4.431 0 50 EIAA Cc1cccc(-c2ccc(C(=O)O)c(N(C)Cc3ccccc3)n2)c1 299777025 HTJKXFMVVDWTEF-UHFFFAOYSA-N 332.403 4.392 0 50 EIAA CCc1noc(C)c1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 330027054 MLQODVJWIWIBCB-HNNXBMFYSA-N 339.395 4.054 0 50 EIAA O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 333955376 GBRNSSLBHVHINE-NMDDUFOESA-N 342.483 4.024 0 50 EIAA C[C@@H](Nc1cccc2c1CCNC2=O)c1ccc(C(F)(F)F)cc1 414323830 VCPXGAKALBPHIZ-LLVKDONJSA-N 334.341 4.164 0 50 EIAA COc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 670426518 BRTAQUHLOXVJLF-MDZDMXLPSA-N 337.828 4.070 0 50 EIAA CCCc1ccc(-c2ccc(C(=O)N3C[C@H]4C[C@H](O)C[C@H]4C3)cc2)cc1 1775981530 AHLOQVXAKSOCKH-ZBYYUNFXSA-N 349.474 4.149 0 50 EIAA Cc1ccc(-c2noc(/C=C/c3cccc(OC(C)C)c3)n2)c(O)n1 2325749614 HLBBWVWWLXNLOB-CSKARUKUSA-N 337.379 4.103 0 50 EIAA CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1 246682 NEQFXENBGUMDLL-UHFFFAOYSA-N 349.419 4.107 0 50 EIAA Cc1cc(C)cc(NC(=O)c2ccccc2NC(=O)c2ccco2)c1 303092 HTYSZPUINGWNPQ-UHFFFAOYSA-N 334.375 4.401 0 50 EIAA Cc1nc(Oc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCC3 390116 XOTDIIUVDCTBGW-UHFFFAOYSA-N 326.377 4.009 0 50 EIAA COc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 619420 LNOOFRRAHAPHGU-UHFFFAOYSA-N 337.242 4.267 0 50 EIAA CCOc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 1052492 KWSOBMOSZVNOAP-UHFFFAOYSA-N 335.407 4.140 0 50 EIAA Cn1c(COc2ccccc2)nnc1SC/C=C/c1ccccc1 2865536 KNDFCTHZDPHRSO-DHZHZOJOSA-N 337.448 4.200 0 50 EIAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O 2889873 WXQSSBHWKHCUSN-ORAYPTAESA-N 340.448 4.126 0 50 EIAA COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCCCC2)n1 3894518 OMZJSRWQXMFMNE-UHFFFAOYSA-N 337.345 4.161 0 50 EIAA Cc1c(OC(=O)c2ccccc2)cccc1OC(=O)c1ccccc1 4017297 AJFVSPMJQTWONR-UHFFFAOYSA-N 332.355 4.433 0 50 EIAA CC1(c2ccccc2)COC(c2ccc(Br)cc2)OC1 4782702 SCXHPLJOQKPFJH-UHFFFAOYSA-N 333.225 4.452 0 50 EIAA COc1cc(/C=C/c2ccc3ccccc3n2)cc(OC)c1OC(C)=O 5077651 GVGLDDSNHLXZGV-CSKARUKUSA-N 349.386 4.348 0 50 EIAA Cc1ncsc1CCCNC(=O)c1ccc2oc(C(C)C)nc2c1 11934177 RYPFARJERXMVDD-UHFFFAOYSA-N 343.452 4.079 0 50 EIAA C[C@@H](O)c1nc2ccccc2n1CCOc1ccc2ccccc2c1 13566034 DKSXSWREQOBNOQ-OAHLLOKOSA-N 332.403 4.322 0 50 EIAA O=C(C[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)OCC(F)(F)F 19891475 BGYDQZWFJLIUDV-JTQLQIEISA-N 339.235 4.309 0 50 EIAA FC(F)Oc1cc(Br)c(Cl)c(Br)c1 36532707 CNYUMFXKDDOMFQ-UHFFFAOYSA-N 336.357 4.466 0 50 EIAA CC[C@@H](c1ccc(OC)cc1)[C@H](C(=O)OC)c1ccc(OC)cc1 71770752 PQRSCXOSMRYVDS-RBUKOAKNSA-N 328.408 4.154 0 50 EIAA C[C@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C1CCOCC1 118968088 QNAZFAGLHGSKLB-LBPRGKRZSA-N 345.443 4.062 0 50 EIAA Cc1ccc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)cc1 212217391 DKCPAKHOQAFARJ-YADHBBJMSA-N 345.442 4.139 0 50 EIAA Cc1nc(CN2CCN(Cc3ccc(CC(C)C)s3)CC2)cs1 216389751 JVOHXAOWNMDGDQ-UHFFFAOYSA-N 349.569 4.029 0 50 EIAA CC(C)(C)n1ccnc1SCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 230198933 HCBLOYMADBKGCC-BIENJYKASA-N 349.544 4.061 0 50 EIAA Cc1ccccc1[C@H](CC(F)(F)F)NC1CCC(C(=O)O)CC1 263431710 SJTMAZOFLWQYEO-PIMMBPRGSA-N 329.362 4.222 0 50 EIAA Cc1cccnc1[C@@H]1CCC[C@@H](Nc2cccc(-c3nncn3C)c2)C1 281650318 PQGSUWHKFZALIF-SJLPKXTDSA-N 347.466 4.324 0 50 EIAA CCc1ccc(NCc2cc(-c3cnn(C)c3C)no2)cc1Cl 285186358 RRXVCDSOKPSUHB-UHFFFAOYSA-N 330.819 4.211 0 50 EIAA O=C(Nc1c(F)cccc1F)N1CCCC[C@H]1CCc1ccccn1 299761994 TWHPIMGYKRWIPE-HNNXBMFYSA-N 345.393 4.379 0 50 EIAA Cc1cccc(Oc2cc(CN[C@@H]3CCCn4ccnc43)ccn2)c1C 888094082 GEECUEZBWJCRKQ-GOSISDBHSA-N 348.450 4.312 0 50 EIAA Cc1cccc([C@@H]2[C@H](C)CN2C(=O)C[C@@H]2CC[C@H]3COCC[C@@H]3C2)c1 1875405672 LPZWOXNPMFCRJA-WOWXTULXSA-N 341.495 4.357 0 50 EIAA CC(=O)c1ccc(Oc2ccc(C(=O)OCc3cnco3)cc2)cc1 2325854387 BHYZQWMBCVFAKA-UHFFFAOYSA-N 337.331 4.027 0 50 EIAA COc1ccc(Cl)cc1C(=O)NCCc1c(C)[nH]c2ccccc12 36883 QHVQKCTUKJKOFI-UHFFFAOYSA-N 342.826 4.111 0 50 EIAA COc1cccc(C=O)c1OC(=O)c1cc(Cl)ccc1Cl 313479 IMGXSJYDOJPANX-UHFFFAOYSA-N 325.147 4.034 0 50 EIAA CCOc1ccc(N[C@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 1227441 DPWPLOZELCBIPD-INIZCTEOSA-N 342.420 4.032 0 50 EIAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nccs1 2133056 DQXYEQNGSQRSEX-UHFFFAOYSA-N 331.224 4.248 0 50 EIAA CC[C@@H](C)NCCOCCOc1c(Cl)cc(Cl)cc1Cl 2823264 DIIAHOBIYALXKE-SNVBAGLBSA-N 340.678 4.430 0 50 EIAA CC1(C)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@]1(C)C(=O)O 4990529 VCVVCJOWADKOTC-QLJPJBMISA-N 344.238 4.459 0 50 EIAA CCCCC(=O)Nc1sccc1C(=O)N[C@@H](C)c1ccccc1 6397913 XAYQJMNYCPTHOG-ZDUSSCGKSA-N 330.453 4.368 0 50 EIAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNC1CC1 12596954 LIEJLHNQXUINKU-UHFFFAOYSA-N 339.389 4.378 0 50 EIAA Cc1ccc(NC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 16649294 NMLVGBUNETXZDG-UHFFFAOYSA-N 342.786 4.020 0 50 EIAA COc1ccc(-c2cc(C(=O)Nc3nc(C(C)C)cs3)on2)cc1 17071674 ATBXZXXAFBRAHH-UHFFFAOYSA-N 343.408 4.182 0 50 EIAA CC1(C)[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC[C@]1(C)C(=O)O 22779937 ILDYKPGXKROROM-QLJPJBMISA-N 344.238 4.459 0 50 EIAA Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@H]2C2CC2)c(C(F)F)n1 38248379 XQJQCBDIXRIYRP-OLZOCXBDSA-N 331.366 4.124 0 50 EIAA in-vivo Cc1nc([C@H](C)N(C)C(=O)c2c[nH]nc2C2CCCCC2)c(C)s1 77287974 OWWIYEDVVIEWQV-NSHDSACASA-N 346.500 4.364 0 50 EIAA CS(=O)(=O)Cc1ccc(-c2ccc(C3CCCCC3)cc2)nc1 97713726 WHAXLQJXCNTWDV-UHFFFAOYSA-N 329.465 4.341 0 50 EIAA O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 170618169 XGKXOHCEGCXFDV-CQSZACIVSA-N 328.418 4.394 0 50 EIAA CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(Cl)nc1 170645082 NTJMSFMRRFUPDF-UHFFFAOYSA-N 347.890 4.093 0 50 EIAA C[C@H](NC(=O)N1CCC(c2ccncc2)CC1)c1cccc(F)c1F 190629111 NZYZSKSYVJMHGO-ZDUSSCGKSA-N 345.393 4.010 0 50 EIAA O=C(O)[C@H](Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 263623370 GVJHGORMXVVRNX-LLVKDONJSA-N 329.705 4.165 0 50 EIAA O=c1oc2cc(O)ccc2cc1-c1ncc(C(F)(F)F)cc1Cl 263640003 SHHZXZKLGHJRDC-UHFFFAOYSA-N 341.672 4.233 0 50 EIAA CC(C)COc1ccccc1NC(=O)N(C)CC[C@@H]1CCCCO1 299792221 FTSRQRAGNVXVIL-INIZCTEOSA-N 334.460 4.144 0 50 EIAA O=C(Cc1cc2c(ccc3ccccc32)o1)N1CC[C@@H]([C@@H]2CCOC2)C1 366853042 JDRCQJWZQAQAPX-IAGOWNOFSA-N 349.430 4.014 0 50 EIAA O=C1[C@@H](SC2=Nc3ccccc3C2)CCN1c1ccccc1Cl 740766422 JXSIQDLHNFVQKL-INIZCTEOSA-N 342.851 4.465 0 50 EIAA O=C(Nc1cccc(CN2CCCC2)c1)C1=Cc2ccccc2OC=C1 827682868 ZWNPEFDPLLYMEH-UHFFFAOYSA-N 346.430 4.211 0 50 EIAA O=C(Nc1cc(-c2ccc(F)cc2)no1)[C@@H]1C[C@@H]1c1cccc(F)c1 1775975433 AUAREVAWIFTILQ-HZPDHXFCSA-N 340.329 4.362 0 50 EIAA CC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1C 149124 WECYMEUVNDVNGI-UHFFFAOYSA-N 329.208 4.213 0 50 EIAA CCOC(=O)c1c(NC(=O)CC)sc2c1CC[C@H](C(C)(C)C)C2 191641 IOZUMAJBMICSCI-NSHDSACASA-N 337.485 4.424 0 50 EIAA Cc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 291980 BEYKRSJQCVCFBI-UHFFFAOYSA-N 334.385 4.336 0 50 EIAA O=C(/C=C/c1ccc(Br)cc1)NCCC1=CCCCC1 473344 QPYHKQNHHCYUMS-DHZHZOJOSA-N 334.257 4.469 0 50 EIAA Cc1c(CCC(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 4045840 PCSLCDUQXLWXQG-UHFFFAOYSA-N 342.391 4.471 0 50 EIAA biogenic COc1ccc(-n2ncc3c2C[C@H](c2ccc(C)cc2)CC3=O)cc1 6661699 KIXNMYMRKBAGPG-INIZCTEOSA-N 332.403 4.102 0 50 EIAA CCCCCCC(=O)N[C@H](N1CCCCC1)C(Cl)(Cl)Cl 19228693 MSORWMJLVDTLQH-CYBMUJFWSA-N 343.726 4.255 0 50 EIAA O=C(c1cc(C2CC2)no1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71761952 FEOYLARTNIBUOU-HNNXBMFYSA-N 342.414 4.176 0 50 EIAA Cc1csc([C@H](C)N(C)C(=O)c2cc(-c3ccc(C)s3)n[nH]2)n1 97522379 PDHCUALSTFVEAU-NSHDSACASA-N 346.481 4.045 0 50 EIAA Cc1cccc(C[C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c1 101260083 TUOLGQSIXKUAJF-CQSZACIVSA-N 347.336 4.136 0 50 EIAA CC1CCN(CCCNc2nc(C(F)F)nc3ccccc23)CC1 111195276 SWWYSSOEQDQDBZ-UHFFFAOYSA-N 334.414 4.101 0 50 EIAA O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)C1CCOCC1 128238263 YWFGJDGYTZWCHB-SFHVURJKSA-N 347.817 4.111 0 50 EIAA C[C@@H](CCn1cncn1)Nc1cc(Cl)ccc1OCC1CCC1 170604718 RALLHCROMJTYPZ-ZDUSSCGKSA-N 334.851 4.001 0 50 EIAA CCOc1ccc(-c2nc(CN(Cc3ccccn3)C3CC3)co2)cc1 180857653 AWQVDYNXUHFQDK-UHFFFAOYSA-N 349.434 4.300 0 50 EIAA Cc1ccc(-c2nnc([C@@H](C)Nc3cnn(CC4CC4)c3)o2)cc1C 186364067 RRHBQERYXQQFJR-CQSZACIVSA-N 337.427 4.133 0 50 EIAA COc1ccc(Cl)c2c1N(C(=O)c1oc(C3CC3)nc1C)CCC2 253419555 PHCXOUGAWNPGOF-UHFFFAOYSA-N 346.814 4.115 0 50 EIAA O=C(NCc1cnc(Cl)s1)[C@@H]1C[C@H]1c1c(F)cccc1Cl 253630158 ROPZUQNWEXYQOQ-RKDXNWHRSA-N 345.226 4.009 0 50 EIAA Cc1ccc(CC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 273296784 MHSJTXIFHOWXRD-WMZOPIPTSA-N 347.455 4.117 0 50 EIAA Cc1nsc(C)c1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 328939275 RYGHZVUWSQXPPQ-CQSZACIVSA-N 341.436 4.269 0 50 EIAA COc1ccc(-c2ccc(NCc3c[nH]nc3C)nc2)cc1Cl 370542650 BVPRAXPGVAOBHM-UHFFFAOYSA-N 328.803 4.054 0 50 EIAA CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 409728249 OBJUAZWUHOZONH-MAUKXSAKSA-N 339.483 4.217 0 50 EIAA CCN(C)C[C@@H](C)CNC(=O)c1ccc(-c2cc(F)ccc2C)cc1 426394769 YIWNHFAFBPVKQP-HNNXBMFYSA-N 342.458 4.119 0 50 EIAA Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1n[nH]c(C(C)C)c1C 899206803 MEEODJIQVIPIKN-UHFFFAOYSA-N 342.374 4.196 0 50 EIAA C[C@H](c1cccc(CN(C)Cc2ccc3ncccc3c2)c1)N(C)C 952982237 FWILUOXNATZCFM-QGZVFWFLSA-N 333.479 4.489 0 50 EIAA Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 74649 WCWGFXAQYDSPID-UHFFFAOYSA-N 349.761 4.468 0 50 EIAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 261998 CRHKPBIENSJUGC-UHFFFAOYSA-N 331.371 4.012 0 50 EIAA COc1cc(C(=S)N2CCCC2)ccc1OCc1ccccc1 306316 OPOIQNVXNIXNAZ-UHFFFAOYSA-N 327.449 4.046 0 50 EIAA CCOc1cc(C=O)ccc1OC(=O)c1cc(Cl)ccc1Cl 313053 NXBXPUKKSSTUDX-UHFFFAOYSA-N 339.174 4.424 0 50 EIAA COc1cc(C=O)ccc1OCCOc1c(Cl)cccc1Cl 2991144 UAILWFCFWKAJEJ-UHFFFAOYSA-N 341.190 4.272 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10373907 WTZQGZAXKVPEIV-UHFFFAOYSA-N 337.206 4.228 0 50 EIAA Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 13324903 KBGGSDZGBTUJNA-UHFFFAOYSA-N 349.887 4.060 0 50 EIAA Cc1cc(Br)ccc1NC(=O)Nc1ccc2c(c1)OCO2 17072498 NSMCAMGACJMASZ-UHFFFAOYSA-N 349.184 4.130 0 50 EIAA CCc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)o1 65535003 HIKFUYNOCWJGSQ-UHFFFAOYSA-N 332.407 4.338 0 50 EIAA CC1(C)C[C@@H](c2nccn2CC2CCN(C3CCCC3)CC2)CCO1 71747977 GVLVEVRYBBGOFZ-SFHVURJKSA-N 345.531 4.210 0 50 EIAA Cc1nc2ccc(C(=O)NCCSC3CCCCC3)cc2nc1C 95354865 CIGHQWXCFSKFPT-UHFFFAOYSA-N 343.496 4.042 0 50 EIAA Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(C)c(F)c(C)c1)CCC2 121858047 IUGBENAIGKLHFG-OAHLLOKOSA-N 332.444 4.357 0 50 EIAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCC[C@@H]1C(F)(F)F 162362957 XSGUNYGKISHMIP-KFWWJZLASA-N 347.421 4.353 0 50 EIAA COc1ccc(C)nc1NC(=O)c1ccc(-c2ccccc2F)o1 174807089 HPUPQEBYEOGCAI-UHFFFAOYSA-N 326.327 4.050 0 50 EIAA CCc1cccc(N(C#N)Cc2coc(-c3ccc(OC)cc3)n2)c1 177089805 XFVRDUPTWPCYBG-UHFFFAOYSA-N 333.391 4.400 0 50 EIAA O=C(Nc1ccc2sncc2c1)N1CC[C@H](Cc2ccccc2)C1 190757257 LDFKURVWOCZTFE-OAHLLOKOSA-N 337.448 4.393 0 50 EIAA C[C@@H](NC(=O)CN1CC(C)(C)[C@H]1c1cccs1)c1ccc(F)cc1 253419780 IGUHDHLVAMVZBW-FZKQIMNGSA-N 346.471 4.148 0 50 EIAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]2(C)[C@@H]1O 257346313 YATPIFKIZZKJFX-BSGOZNNNSA-N 334.500 4.322 0 50 EIAA CCc1oc2c(NC(=O)N(C)Cc3cc(C)no3)cccc2c1C 299761717 ZHNOVDDBTFBBME-UHFFFAOYSA-N 327.384 4.264 0 50 EIAA Cc1ccc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)cc1O 408513175 INGAFHIDBSEXGT-UHFFFAOYSA-N 346.814 4.201 0 50 EIAA C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(-c3cncnc3)cc2F)C1 481861453 JGKGPKXOJHLUGK-CQSZACIVSA-N 347.393 4.122 0 50 EIAA Cc1ccc(C)c(CC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 590221933 FEPJPVBLFORZDH-HXUWFJFHSA-N 339.435 4.042 0 50 EIAA COc1ccc(CN[C@@H](C)c2nccnc2C)cc1OCCC(C)C 873189067 NIQSFEFVBVMXAN-INIZCTEOSA-N 343.471 4.069 0 50 EIAA Cc1cccc(N2CCC(NCc3cccc(O)c3Cl)CC2)c1 952976751 XXWXMBJVOPZYAI-UHFFFAOYSA-N 330.859 4.113 0 50 EIAA COc1cc(-c2onc(N[C@@H](C)CC(C)C)c2C(=O)O)ccc1F 1704308864 SKTMSOZCWMCODQ-JTQLQIEISA-N 336.363 4.034 0 50 EIAA Cc1ccc([C@@H](C)CCN2CCC(Cc3ccc(O)nc3)CC2)o1 1772806866 LJTNORSVRGEKJG-HNNXBMFYSA-N 328.456 4.137 0 50 EIAA COc1cc(S(=O)(=O)Oc2ccc3ccccc3c2)c(C)cc1C 1875302345 MACKHCRUZYUHIU-UHFFFAOYSA-N 342.416 4.233 0 50 EIAA C[C@H]1CC(C)(C)c2cccc(NC(=O)N[C@@H](C)C3CCN(C)CC3)c21 1875319967 AKQXWXNMXGVARF-GJZGRUSLSA-N 343.515 4.323 0 50 EIAA CC1CCC(N(C)C(=O)c2ccnc(N3CCCC[C@@H]3C)c2)CC1 2325729456 CQLBCOWSUKFJIF-PQUAAJSLSA-N 329.488 4.111 0 50 EIAA Fc1cc(COC2CCCCC2)cc(-c2ncc3c(n2)COC3)c1 2325786360 FTVFEMFPXGXCBF-UHFFFAOYSA-N 328.387 4.162 0 50 EIAA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 60701 FNOWPNOAMOZEDS-UHFFFAOYSA-N 340.442 4.086 0 50 EIAA O=C(Nc1cc(Cl)ccc1Cl)c1cc2ccccc2oc1=O 133963 UPLGTJFVIHONDV-UHFFFAOYSA-N 334.158 4.352 0 50 EIAA O=c1cc(-c2cc(Cl)cc3c2OCOC3)oc2ccc(F)cc12 138832 YSUUDDKTAXVRFF-UHFFFAOYSA-N 332.714 4.119 0 50 EIAA Cc1ccc(OCc2nc(-c3ccccc3)no2)c(Br)c1 205787 CYGLVOVEONSPHW-UHFFFAOYSA-N 345.196 4.387 0 50 EIAA CCOc1ccccc1C(=O)Nc1nnc(C2CCCCC2)s1 249686 AKVCYRSDOUTHON-UHFFFAOYSA-N 331.441 4.237 0 50 EIAA Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc(N)c3)cc2)cc1 284511 TYQBRFFEXWRFFI-UHFFFAOYSA-N 339.416 4.202 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)c(Cl)c1 561762 TWJAWEPHGSCJJZ-UHFFFAOYSA-N 339.620 4.367 0 50 EIAA CCc1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1 858601 MONKXGHMDJXZPM-UHFFFAOYSA-N 334.213 4.272 0 50 EIAA Clc1cccc(Cl)c1OCCOCCNCc1ccccc1 2822620 XBGOBRTWBYBTPM-UHFFFAOYSA-N 340.250 4.179 0 50 EIAA O=C(Nc1ccc(Cl)cn1)[C@]1(c2ccccc2)CC1(Cl)Cl 2923338 DSWHHIYJBRDEHF-CQSZACIVSA-N 341.625 4.189 0 50 EIAA O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccccc1 4701835 NUQFOEQMTNCENU-UHFFFAOYSA-N 330.383 4.322 0 50 EIAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccccc2CC)s1 6286465 IZAZZCJPNLNIAX-UHFFFAOYSA-N 348.493 4.468 0 50 EIAA c1ccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)nc1 10312391 FJLHXISWULDNMS-UHFFFAOYSA-N 329.388 4.068 0 50 EIAA CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 12138236 FOBDDRMQFABIRQ-UHFFFAOYSA-N 330.815 4.121 0 50 EIAA Cc1nc(C)c(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)s1 71775485 PCDZMJMECTZOHQ-INIZCTEOSA-N 346.471 4.384 0 50 EIAA Cc1cccc([C@@H](C2CC2)n2ccnc2-c2nc3ccccc3n2C)n1 77284903 WPKIERXZHROFSJ-LJQANCHMSA-N 343.434 4.140 0 50 EIAA Cc1nccn1CC[C@H]1CCCCN1C/C=C/c1ccc(F)cc1 77379504 MZHHWXOABWIAHW-DPZZJQGRSA-N 327.447 4.289 0 50 EIAA Cc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)c2c1 77407082 YYZJQHBXGFGYBW-SFHVURJKSA-N 337.398 4.378 0 50 EIAA Cc1ccc2nc(CCCNC(=O)C[C@H]3CCc4ccccc43)oc2c1 91270476 SESUPFGSYOJISJ-QGZVFWFLSA-N 348.446 4.305 0 50 EIAA CC(C)n1ccnc1[C@@H]1CCCN(c2nc3ccccc3s2)C1 95353393 WLDDYXMTJZCNPC-CQSZACIVSA-N 326.469 4.458 0 50 EIAA CN(CCc1ccccc1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 101357768 ZUFBCRVLRAIOQJ-QFIPXVFZSA-N 342.442 4.255 0 50 EIAA CCC[C@@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(Cl)c(Cl)c1 118573171 RPYRPFRXPHYLFM-IUODEOHRSA-N 345.270 4.001 0 50 EIAA Cc1cc(C)cc(-c2nc([C@H]3CC(=O)N(C4CCCCC4)C3)no2)c1 169762215 GNBOCXHPUUIIAR-INIZCTEOSA-N 339.439 4.002 0 50 EIAA CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cn1 171316325 KIFGFHPETIEMFP-MRXNPFEDSA-N 342.418 4.282 0 50 EIAA CCN(C(=O)c1cnn(CCC(F)(F)F)c1)c1cc(C)ccc1C 181929070 DRSBXESZHRYDTI-UHFFFAOYSA-N 339.361 4.119 0 50 EIAA c1ccc(-c2noc([C@@H]3CCCN3c3ncnc4sccc34)n2)cc1 193137199 QPVKIZZIFUKJCL-AWEZNQCLSA-N 349.419 4.083 0 50 EIAA CSc1nc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)cs1 221236637 QSNYRRVOYBLTML-AWEZNQCLSA-N 336.457 4.372 0 50 EIAA CO[C@@H](C)c1nsc(Oc2ccc3c(C(C)C)cc(=O)oc3c2)n1 252508877 XWQDYIJHEOODCS-JTQLQIEISA-N 346.408 4.268 0 50 EIAA CCOCCCCNC(=O)Nc1cccc2nc(C(F)F)sc12 1775991813 VIWHYODCDPNSLJ-UHFFFAOYSA-N 343.399 4.172 0 50 EIAA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)cc1 68411 DKTMUIHTFPJMPT-UHFFFAOYSA-N 342.402 4.290 0 50 EIAA COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(Cl)cc1 156826 ZCEPWIDYPWMCOY-UHFFFAOYSA-N 343.810 4.287 0 50 EIAA CSc1ccc([C@@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 221970 XIRDQZVOWARVPD-KBPBESRZSA-N 328.466 4.208 0 50 EIAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)CCc1ccccc1 318764 JXKNQXFVWYAXDV-OAHLLOKOSA-N 334.419 4.401 0 50 EIAA CC(C)Oc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 441322 DRSBANIQQXNYIT-UHFFFAOYSA-N 340.448 4.318 0 50 EIAA C[C@H]1CCCN(CCCCOc2cccc(Br)c2)C1 2822893 VDONTZRAAXPZEC-AWEZNQCLSA-N 326.278 4.340 0 50 EIAA CN(CCCOc1ccccc1Br)Cc1ccccc1 2824836 OOTHRCRQEJHQDV-UHFFFAOYSA-N 334.257 4.350 0 50 EIAA O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 5064724 FYDCXTJLRCHNCH-UHFFFAOYSA-N 325.147 4.079 0 50 EIAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 6668225 IAOHTVXMLUTPEE-CABCVRRESA-N 341.407 4.141 0 50 EIAA Cc1ccc(C)c(NC(=O)COCc2cc(-c3cccs3)on2)c1 6876593 IVERBTRBHRMZGN-UHFFFAOYSA-N 342.420 4.175 0 50 EIAA Fc1cc(Br)ccc1NC(=S)Nc1ccccc1 8682744 VDTDFVAFDHZFAK-UHFFFAOYSA-N 325.206 4.397 0 50 EIAA CCc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1 14953918 KLEVJYPJAAFBPZ-FQEVSTJZSA-N 347.886 4.313 0 50 EIAA Cc1ccc([C@H](C)CCN2CCN(C/C=C/c3ccccc3)CC2)o1 22077639 NZBLGFWBINALSB-MBNRZODZSA-N 338.495 4.413 0 50 EIAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1cccnc1 29299849 RFSLCWUTKCYBDI-CQSZACIVSA-N 341.461 4.244 0 50 EIAA COc1ccc2c(c1)O[C@@H](C)CN(Cc1ccc3cccnc3c1)C2 55575531 UNOKSTIGPVDRMJ-HNNXBMFYSA-N 334.419 4.027 0 50 EIAA CS[C@H](C)Cc1c(-c2ccccc2)ncn1CCN1CCCCC1 65498032 OGVFRNHBPHRUPV-QGZVFWFLSA-N 343.540 4.330 0 50 EIAA CC(=O)c1cc(CC(=O)N2CCC[C@@H](c3ccccc3C)C2)cs1 77541007 RREUCXONKMOFLF-QGZVFWFLSA-N 341.476 4.208 0 50 EIAA CCCCn1ccnc1C1CCN(C(=O)c2ccccc2C)CC1 91625630 VJRFLMINQQSZCD-UHFFFAOYSA-N 325.456 4.011 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3cccnc3Cl)c(C)c2c1 91931740 GKPSVTZQNMLCJQ-UHFFFAOYSA-N 341.842 4.414 0 50 EIAA O=C(CCc1ccsc1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 141436354 GBEWPNVSRPBGEL-MRXNPFEDSA-N 341.436 4.047 0 50 EIAA COc1cc(NCc2ccc3nc(C)ccc3c2)ccc1NC(C)=O 187636944 NYNNSQHKBPCKMI-UHFFFAOYSA-N 335.407 4.122 0 50 EIAA Fc1ccc([C@@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)cc1 215905955 YFOBINHLHRNNMB-IBGZPJMESA-N 334.398 4.015 0 50 EIAA CCn1nc(CC(C)C)cc1C(=O)N1CCc2ccc(F)cc2[C@H]1C 216419166 NKBPZGDFZCDUPV-CQSZACIVSA-N 343.446 4.000 0 50 EIAA CSc1cccc(NC(=O)N[C@H]2CCCC23CCOCC3)c1C 282077039 NMWBXIHGWXNATF-INIZCTEOSA-N 334.485 4.188 0 50 EIAA C[C@@H](NC(=O)Nc1ccsc1Cl)[C@H]1OCCc2sccc21 297871663 QEQLQGLUETZQTF-PRHODGIISA-N 342.873 4.287 0 50 EIAA COCc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 767211039 XDRCGADBGLJPLR-UHFFFAOYSA-N 327.424 4.148 0 50 EIAA CN(CCc1nc2ccccc2[nH]1)Cc1cc(C2CCCCC2)no1 1506421985 MLZUXRYDVOXQRG-UHFFFAOYSA-N 338.455 4.273 0 50 EIAA CC(=Cc1ccc(-n2cccn2)cc1)c1nc(O)c2ccsc2n1 1857531983 JSGMWLGZMSEOMX-UHFFFAOYSA-N 334.404 4.143 0 50 EIAA CCCCOc1ccccc1CNc1ccc2[nH]nc(C(=O)O)c2c1 1875301172 BWXQXBBKVBCFLW-UHFFFAOYSA-N 339.395 4.052 0 50 EIAA O=C(Cc1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 198819 XGEMUEOASDGSMK-UHFFFAOYSA-N 344.414 4.049 0 50 EIAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 308608 ZTWYBQAQQZCZDF-UHFFFAOYSA-N 335.812 4.190 0 50 EIAA CC[C@@H](OC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1 316215 QZWJOUIFGGVWEF-OAHLLOKOSA-N 347.208 4.267 0 50 EIAA C[C@@H](C(=O)c1ccccc1)n1cnc2c(Cl)cc(Cl)cc2c1=O 407463 HKVZNCWVISTGDP-JTQLQIEISA-N 347.201 4.147 0 50 EIAA O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1cccc(F)c1 431360 WDFLKGNRDVVIJN-HNNXBMFYSA-N 325.767 4.397 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Br)o1 462222 CSPOUFDRUGDOPB-UHFFFAOYSA-N 344.592 4.265 0 50 EIAA CSc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2Cl)=NO1 614592 KOXOSXCCJMDFCZ-HNNXBMFYSA-N 346.839 4.194 0 50 EIAA CCc1c2c(nn1-c1ccccc1F)C[C@@H](c1ccccc1)CC2=O 1423588 LFAJENSHTIPWHX-OAHLLOKOSA-N 334.394 4.487 0 50 EIAA CCOc1ccc(OCCOc2ccc(Br)cc2)cc1 2983830 DRWHTSVRWPOXEI-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA O=Cc1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12 4237807 ZQVUDZIQLLWMJL-UHFFFAOYSA-N 335.588 4.230 0 50 EIAA CCOc1ccc2nc(SCc3ccc(C(=O)OC)cc3)[nH]c2c1 6028563 RMPQHJMVXSSKPO-UHFFFAOYSA-N 342.420 4.041 0 50 EIAA CCOC(=O)c1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C 8730053 LCWBJARQUMMJMT-UHFFFAOYSA-N 333.306 4.453 0 50 EIAA in-vitro O=C(C[C@H](c1ccccc1)c1ccccc1F)NCCc1cccnc1 12432385 LCARZSGRRNEDCF-HXUWFJFHSA-N 348.421 4.102 0 50 EIAA Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2C)n1 12446160 AJIRRWDLUUCTKI-FQEVSTJZSA-N 347.462 4.207 0 50 EIAA Oc1cc(-c2ccccn2)cc2c1OCCN(CC1CCCCC1)C2 14981978 GPZNTWIRIHFLJY-UHFFFAOYSA-N 338.451 4.229 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccco1 22461405 PPAVGHCHGBEVPK-UHFFFAOYSA-N 337.360 4.310 0 50 EIAA Clc1cc(Cl)cc(-c2nnc3sc(-c4ccncc4)nn23)c1 36357364 RKEGJPGJOXNVOJ-UHFFFAOYSA-N 348.218 4.222 0 50 EIAA O=C(O)c1ccccc1CN1CCCC[C@H]1CCc1ccc(O)cc1 55119840 SNYSYTUGGRUQDD-SFHVURJKSA-N 339.435 4.078 0 50 EIAA COCCN(Cc1sccc1C)c1nc(C)nc2sccc12 55269507 FXYGNGREDZSPRD-UHFFFAOYSA-N 333.482 4.023 0 50 EIAA CCc1ccccc1NC(=O)c1cccc(Oc2ccc(C)nn2)c1 82230591 HUUMEDKDVCFVLD-UHFFFAOYSA-N 333.391 4.392 0 50 EIAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 91635959 VLOUGKBLKOGUMJ-UHFFFAOYSA-N 349.837 4.276 0 50 EIAA COc1ccc2oc(C)c(C(=O)Nc3cccc(-c4cn[nH]c4)c3)c2c1 129153033 SUMCXDWEHMDQGM-UHFFFAOYSA-N 347.374 4.392 0 50 EIAA CC[C@H](c1ccncc1)N(CC)C(=O)C[C@@H]1OCCc2ccccc21 157101883 VCZUHYUIDNPGGL-UXHICEINSA-N 338.451 4.085 0 50 EIAA CON(Cc1ccccc1)C(=O)Nc1cc(-c2ncco2)ccc1C 162130956 KJXRZSLIXBEJDG-UHFFFAOYSA-N 337.379 4.246 0 50 EIAA CC(C)c1noc2ncc(C(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc12 229569918 JYIYVINCRFDTLK-WAWZGNHOSA-N 341.455 4.291 0 50 EIAA CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@@H]3CCCC[C@@H]32)n1 239654177 BMUYXTMMALAHED-ZFWWWQNUSA-N 335.879 4.438 0 50 EIAA CC[C@H]1COCCN1C(=O)c1cccc(-c2ccc3cc[nH]c3c2)c1 299786701 PCQXHNTVNRSGLX-IBGZPJMESA-N 334.419 4.086 0 50 EIAA C[C@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(Cl)cc1Cl 302131449 KKKHPYFPYHJGGO-VIFPVBQESA-N 348.237 4.482 0 50 EIAA Cc1ccc2cc(CN3CCC[C@H](c4nnc(C)o4)[C@@H]3C)ccc2n1 886079991 IOGFWVAJDJCOMM-KSSFIOAISA-N 336.439 4.003 0 50 EIAA C[C@@H](c1ccccc1)N(C(=O)c1cnn(C2CCC2)c1)c1ccccn1 906112210 NQTVHFZZALIUSZ-INIZCTEOSA-N 346.434 4.411 0 50 EIAA Cc1sc(-n2cccc2)nc1C(=O)Nc1ccc(F)c(Cl)c1 952963381 QAUZONZNRRPLFS-UHFFFAOYSA-N 335.791 4.287 0 50 EIAA O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cc(-c2ccco2)on1 952976691 UEAKYJMWEOQMKD-UHFFFAOYSA-N 340.423 4.157 0 50 EIAA CCOc1ccc(S(=O)(=O)Oc2ccc(F)cc2)c2ccccc12 1775971373 OBVPXTVXSMAHAC-UHFFFAOYSA-N 346.379 4.145 0 50 EIAA CCn1cc(Cn2ccnc2-c2ccc3cccc(Cl)c3n2)cn1 1857681301 IAUYVWHJFGTKNM-UHFFFAOYSA-N 337.814 4.016 0 50 EIAA N[C@@H]1[C@H]2CCCCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)[C@@H]12 2325826730 KSZWLDQHTJGZAS-VAMGGRTRSA-N 342.870 4.444 0 50 EIAA Brc1ccc(CSc2nnc(-c3cccnc3)o2)cc1 221658 ALJZALDUCAILCZ-UHFFFAOYSA-N 348.225 4.186 0 50 EIAA CC[C@H](C)[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O 237082 YCUGYQJADWATHB-NHYWBVRUSA-N 341.436 4.270 0 50 EIAA CSc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1 401873 BLBKBJIHDZOGTN-UHFFFAOYSA-N 338.230 4.210 0 50 EIAA O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccccc2F)cc1 471289 XDTUBTDTDKDJDC-UHFFFAOYSA-N 348.377 4.008 0 50 EIAA COc1ccc2nc(NC(=O)CCCOc3ccccc3)sc2c1 1775908 SBWNMUAQEHXSOC-UHFFFAOYSA-N 342.420 4.103 0 50 EIAA COc1cc(C(=O)N2CCCC2)cc(Cl)c1OCc1ccccc1 2872013 GQYIXXGFAUIWAZ-UHFFFAOYSA-N 345.826 4.164 0 50 EIAA Clc1cccc(OCCOCCOc2cccc3cccnc23)c1 2985585 QWJMVJUVAMFVOX-UHFFFAOYSA-N 343.810 4.363 0 50 EIAA CCOC(=O)[C@@H](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O 3136866 BDLOPXJURDNJMB-HNNXBMFYSA-N 348.483 4.298 0 50 EIAA CC(C)(C)c1ccc(C2=NNC(=O)[C@H](c3c[nH]c4ccccc34)C2)cc1 5187520 VJFZZNIMQBQZRE-KRWDZBQOSA-N 345.446 4.473 0 50 EIAA O=C(Nc1ccc(Oc2ccsc2C(=O)O)cc1)c1ccccc1 12959534 CVPWHIRATLFDHN-UHFFFAOYSA-N 339.372 4.491 0 50 EIAA N=c1oc2ccccc2cc1C(=O)Nc1ccccc1C(F)(F)F 17068200 BWFJHHJKMAXFMU-UHFFFAOYSA-N 332.281 4.183 0 50 EIAA Cc1ccc(CN2C[C@@H](c3nc(-c4ccccc4)c(C)[nH]3)CC2=O)cc1 23428937 DUYOYRSZZDALJJ-IBGZPJMESA-N 345.446 4.210 0 50 EIAA FC(F)Oc1ccccc1-c1nccn1CCCc1cccnc1 71764249 JZPCWUSTGPJSKN-UHFFFAOYSA-N 329.350 4.179 0 50 EIAA CC(C)N(Cc1ccccc1)C[C@@H](O)Cc1ccc2ccccc2n1 71767409 LDPYHPSUJRODNP-NRFANRHFSA-N 334.463 4.049 0 50 EIAA O=C(O)C(CCCOc1ccccc1)CCCOc1ccccc1 71769201 ZTJKRHBNJNEIMG-UHFFFAOYSA-N 328.408 4.406 0 50 EIAA CCn1ccnc1C1CCN(Cc2ccccc2C(F)(F)F)CC1 91536985 WHYGMPQWLNWDAC-UHFFFAOYSA-N 337.389 4.301 0 50 EIAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1-c1ccccc1)C2 101957392 TXWBYLDKCOZHRX-YRWFTTLQSA-N 336.435 4.242 0 50 EIAA Cc1cc(CN[C@@H]2CCOC(C)(C)C2)ccc1Oc1cccnc1 160634732 FMOKZABZAXJOTR-QGZVFWFLSA-N 326.440 4.230 0 50 EIAA CC(=O)N1CCCN(C(=O)c2ccc(C)c(Cl)c2)c2ccccc21 173974372 BSONIWXDRFXTND-UHFFFAOYSA-N 342.826 4.052 0 50 EIAA Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(Cl)cn1)CCC2 175868904 HSGBQRQCIYTJOY-GFCCVEGCSA-N 336.848 4.041 0 50 EIAA Oc1nc([C@H]2CCC(F)(F)C2)nc2sc3c(c12)CCCS3 241897258 TXCDIDRUBKAGLL-ZETCQYMHSA-N 328.409 4.338 0 50 EIAA CCc1cnccc1-c1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 420483920 BXUBWNDKGUCTFF-MRXNPFEDSA-N 335.407 4.387 0 50 EIAA Cc1ccsc1C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 828234773 HAPVXHBGIAJHAN-MRXNPFEDSA-N 331.437 4.257 0 50 EIAA CCc1cccc(C)c1NC(=O)c1cccc(N=S(C)(C)=O)c1 858675377 UEJYEPYQROQRKP-UHFFFAOYSA-N 330.453 4.169 0 50 EIAA CC(C)C[C@@H](C(=O)Nc1cccc(Br)c1)n1cccc1 888104578 FSLQGMVDNNZFHY-HNNXBMFYSA-N 335.245 4.477 0 50 EIAA COc1c(Cl)cccc1-c1noc(C[C@@H](C)n2nc(C)cc2C)n1 904182234 ZYRSRAUDCDYXKM-GFCCVEGCSA-N 346.818 4.016 0 50 EIAA Cn1c(Cc2ccccc2)cnc1CN[C@@H]1CCCc2sccc21 2325777506 HZIRTFHGORTCIC-GOSISDBHSA-N 337.492 4.240 0 50 EIAA COCC[C@](C)(O)CNc1cc(C(F)F)nc2ccc(Cl)cc12 2325790395 IUDSTDKZFRNCLW-INIZCTEOSA-N 344.789 4.025 0 50 EIAA C[C@H](C(=O)NCC1CCCCC1)N1Cc2cccc3c2[C@@H](CCC3)C1 2325828038 XCOIWMXZAQPSCS-UZLBHIALSA-N 340.511 4.007 0 50 EIAA O=C1C[C@H](C(=O)Nc2c(Cl)cccc2Cl)C2(CCCCC2)O1 33731 ZZDDBBZBNGACOV-SNVBAGLBSA-N 342.222 4.198 0 50 EIAA biogenic O=C(CSC1CCCCC1)Nc1ccc(Br)cc1 303291 IHFDOQZTOHEJKN-UHFFFAOYSA-N 328.275 4.454 0 50 EIAA O=C(NC(=S)Nc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 359674 CHXGZSIVTNENSY-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(C)c(C)c1 371552 RFRWZHVIIYBESD-UHFFFAOYSA-N 343.448 4.475 0 50 EIAA Cc1sc(NC(=O)c2cccc(F)c2)c(C(=O)OC(C)C)c1C 433986 WEEVLNBGWFOQDN-UHFFFAOYSA-N 335.400 4.322 0 50 EIAA O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1 458341 NSTJGIOBVNTJCM-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA O=Cc1ccc(-c2cc(Br)cc(Br)c2)nc1 2527584 PDXABOMUYNQIRX-UHFFFAOYSA-N 341.002 4.086 0 50 EIAA Cc1ccccc1Cn1cc(NC(=S)Nc2cccc(F)c2)cn1 2799595 STYJRZMDPDDFBK-UHFFFAOYSA-N 340.427 4.188 0 50 EIAA Cc1cc(SCC(=O)NCc2ccccc2)nc2c(C)cccc12 2872310 KUWUPFKPCPWPBS-UHFFFAOYSA-N 336.460 4.260 0 50 EIAA CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 3607377 FWIHQEHBPKZJHA-CYBMUJFWSA-N 331.799 4.257 0 50 EIAA COc1ccc(CCN[C@H](C)CC(C)(C)c2ccc(C)o2)cc1OC 5020452 IFRIVNSINOMKHH-OAHLLOKOSA-N 345.483 4.494 0 50 EIAA CC(C)c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 6742537 RNDZSAXZFUYBDF-UHFFFAOYSA-N 329.488 4.292 0 50 EIAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1Cl 6745570 LXMMKNHZGFOPAH-OAHLLOKOSA-N 331.799 4.150 0 50 EIAA Cc1cccc(-n2c(S)nnc2-c2csc3c2CCCC3)c1 17067133 BXTRVFTYWUURSR-UHFFFAOYSA-N 327.478 4.472 0 50 EIAA O=C1[C@H]2[C@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1cccc(Cl)c1 18324139 KFWBPLWYFUKRBD-USTZCAOPSA-N 341.838 4.356 0 50 EIAA O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1c1ccccc1F 36621020 OZNBQNACPKBWEV-GFCCVEGCSA-N 345.848 4.066 0 50 EIAA CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1)CO3 55393825 YTRUOXOYJQUOLO-UHFFFAOYSA-N 335.403 4.016 0 50 EIAA Fc1ccc([C@@H]2CCN2Cc2ccc(CN3CCCC3)s2)cc1 97814955 FKGQVMVHTWRZLK-IBGZPJMESA-N 330.472 4.430 0 50 EIAA COc1ccc(-c2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1F 261495014 JJIYBSNRASFRER-UHFFFAOYSA-N 345.683 4.216 0 50 EIAA CC[C@H](CC(=O)N1C[C@@H](C(=O)O)c2ccccc21)c1ccc(C)cc1 439711577 URKIREIPVSEJFT-CRAIPNDOSA-N 337.419 4.094 0 50 EIAA CC/C=C(/CN(C)C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1 952869406 IGWMRFXYEGQRHY-KLSKMWHSSA-N 328.500 4.059 0 50 EIAA c1ccc2oc(N[C@@H]3COC[C@H]3Cc3ccnc4ccccc34)nc2c1 1529142357 MNVZLYXBBOXADH-DNVCBOLYSA-N 345.402 4.046 0 50 EIAA CSc1cccc2c1CN(C(=O)c1cncc3sccc13)CC2 2325828454 HURSFUUPMCMHLH-UHFFFAOYSA-N 340.473 4.217 0 50 EIAA Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H](C)CC2(C)C)cc1 173877 JPHNGHVVVJQBDD-OAHLLOKOSA-N 329.465 4.476 0 50 EIAA CC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 466978 QUIBTSSQCJXKHN-UHFFFAOYSA-N 338.190 4.309 0 50 EIAA COc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1 611821 AIYRXDJVRDLERK-UHFFFAOYSA-N 340.301 4.367 0 50 EIAA CC[C@H](C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2)c1ccccc1 795408 HYWFERYYCICFOV-ZDUSSCGKSA-N 342.464 4.431 0 50 EIAA O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccnc1 848946 UBAWCCKJXLDKFU-UHFFFAOYSA-N 342.354 4.107 0 50 EIAA biogenic Cc1cccc(NC(=O)CSc2nccc(-c3ccco3)n2)c1C 2805517 JZKZGAQAGAHIHO-UHFFFAOYSA-N 339.420 4.084 0 50 EIAA Cc1cc(C(C)(C)C)ccc1OCCOCCN1CCC(C)CC1 3003874 OCICWKVGLPKXLP-UHFFFAOYSA-N 333.516 4.420 0 50 EIAA Cc1ccc(C)c([C@](O)(c2ccccc2)c2cnc(C(C)C)n2C)c1 4566747 IAYCVHYZNXCXHF-JOCHJYFZSA-N 334.463 4.445 0 50 EIAA C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)ON1C 5211794 LJAMJJBEGUHOSV-SUMWQHHRSA-N 345.830 4.138 0 50 EIAA Cc1ccccc1NC1(c2nnnn2-c2c(C)cccc2C)CCCC1 5390636 CTLMOSKXBGPDHA-UHFFFAOYSA-N 347.466 4.469 0 50 EIAA CCc1cccc(C)c1NC(=O)c1nnn(-c2cc(C)ccc2C)c1C 11690633 SGSNYMMZIPTECA-UHFFFAOYSA-N 348.450 4.316 0 50 EIAA O=C(Cc1noc(-c2cccc(Cl)c2)n1)Nc1cccc(Cl)c1 16579466 VRVPEVRHSSAMGP-UHFFFAOYSA-N 348.189 4.225 0 50 EIAA CCc1[nH]c2c(CNC(=O)c3cc(C4CC4)no3)cc(C)cc2c1C 71745948 PRXJFHFFCYITNP-UHFFFAOYSA-N 337.423 4.143 0 50 EIAA C[C@H](C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1cccs1 122913210 OXSWYCIYQMNIHA-MJBXVCDLSA-N 335.494 4.028 0 50 EIAA c1ccc([C@@H]2CCCCN2Cc2ccc(Cn3cccn3)cc2)nc1 216019000 BGRSOKNCSLCOJQ-NRFANRHFSA-N 332.451 4.054 0 50 EIAA COCc1nc(CN2C[C@H]3CCCC[C@]32c2ccccc2)cs1 230125542 VXMNBJXOQYNEBS-APWZRJJASA-N 328.481 4.191 0 50 EIAA COCC1(N(C)C(=O)c2ccc(-c3ccc(C)c(F)c3)cc2)CC1 426563269 JTFBFKAWLMAQOU-UHFFFAOYSA-N 327.399 4.052 0 50 EIAA CC(C)C[C@H](NC(=O)N1CCO[C@](C)(C2CC2)C1)c1cccs1 663770861 DMRZAKIVNWZNPV-YJBOKZPZSA-N 336.501 4.046 0 50 EIAA CN(C(=O)[C@@H]1[C@H]2CC[C@@]1(c1ccnn1C1CCC1)C2)C1CCCCC1 1875393202 JBWCZLATLVCOEM-ZRCAFCQKSA-N 341.499 4.067 0 50 EIAA C[C@H](c1ccc(Br)cc1)N1CCc2ccccc2[C@H](O)C1 2325828127 ZOXVKPJDQOMRTJ-FZKQIMNGSA-N 346.268 4.102 0 50 EIAA OCc1cnn(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)c1 2325843836 RGAVKVMCDHHHDK-UHFFFAOYSA-N 332.325 4.110 0 50 EIAA CCCCc1ccc(C(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)CC)C2)cc1 2356135192 SSYPYIIQLJBBST-ZVDOUQERSA-N 329.484 4.042 0 50 EIAA COc1c(C)cnc(CN2CC[C@H](c3ccccc3)CCC2=O)c1C 2356158598 QLGKDXBYJYFZRZ-GOSISDBHSA-N 338.451 4.003 0 50 EIAA O=C(CSc1ncccn1)N1c2ccccc2CCc2ccccc21 117888 OTBCOCQAXFXPFB-UHFFFAOYSA-N 347.443 4.032 0 50 EIAA CCOc1ccccc1NC(=O)COc1ccccc1C(C)(C)C 133613 NBAREPCASFIZOR-UHFFFAOYSA-N 327.424 4.400 0 50 EIAA C[C@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c23)C1 143661 YZNXZMZUADGCIU-NSHDSACASA-N 344.867 4.285 0 50 EIAA Cc1ccc(C)c(N2CCN([C@@H](C)CCc3ccc(O)cc3)CC2)c1 280437 CSKFLVUELGEZKB-IBGZPJMESA-N 338.495 4.152 0 50 EIAA CCOc1cc(CN2CCc3c([nH]c4ccccc34)C2)ccc1OC 293151 JWIYZTHFIMQURX-UHFFFAOYSA-N 336.435 4.134 0 50 EIAA CCCc1cc(C(=O)OC)c(NC(=O)c2c(F)cccc2F)s1 442678 HDSFEOIYBJMMHR-UHFFFAOYSA-N 339.363 4.018 0 50 EIAA CCCC(=O)Nc1sc2c(c1C(=O)OCC)CCc1ccccc1-2 548566 RRHONQXKXQMXQM-UHFFFAOYSA-N 343.448 4.429 0 50 EIAA Cc1ccc(CNc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 4622024 OBXSAUGBJRHQHN-UHFFFAOYSA-N 335.436 4.082 0 50 EIAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Nc1ccccc1 5800114 QNLYWGYEWJQRBR-HOTGVXAUSA-N 336.391 4.036 0 50 EIAA CC(C)Cc1cn[nH]c1[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 11789668 BTCAZSBHECJVBP-KRWDZBQOSA-N 336.483 4.469 0 50 EIAA O=C(Nc1nc2ccccc2s1)c1ccccc1Br 13549915 KIRDIYGBKFSZHS-UHFFFAOYSA-N 333.210 4.311 0 50 EIAA CC(C)CN(Cc1ccccn1)Cc1c(Cl)nc2sccn12 55401994 RIUZVMQAHCPULF-UHFFFAOYSA-N 334.876 4.102 0 50 EIAA CC(C)N(Cc1ccccc1Cl)C(=O)c1cnc2ccccc2n1 55413775 JIPJGDYNBKKARL-UHFFFAOYSA-N 339.826 4.334 0 50 EIAA Cc1ccc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nn1 67613958 QKXBQELWJXBUGF-UHFFFAOYSA-N 338.798 4.434 0 50 EIAA CC(=O)c1c(C)cc(C)c(-c2nccn2C[C@@H]2CCCCO2)c1C 71730259 GPROXHZUVMNUIM-KRWDZBQOSA-N 326.440 4.247 0 50 EIAA c1ccc(C2(c3ccccc3)C[C@@H]2CN2CC(c3ccncc3)C2)cc1 72142955 VZNZERIOBMILGO-HSZRJFAPSA-N 340.470 4.487 0 50 EIAA O=C(O)c1ccccc1[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 72174018 VQDIJHGCIWJBFC-CYBMUJFWSA-N 333.790 4.167 0 50 EIAA Cc1nc(-c2ccco2)ccc1C(=O)N(CC1CC1)c1cccnc1 135570742 XDWMQIYFTLUDDG-UHFFFAOYSA-N 333.391 4.102 0 50 EIAA Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C 144644313 IDIUJOHYYBNCPC-UHFFFAOYSA-N 331.379 4.132 0 50 EIAA CCO[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C12CCCC2 170637047 QMAJNZKPUZRPQY-STQMWFEESA-N 345.270 4.131 0 50 EIAA Cc1nc(CCCC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cs1 176670824 YIYXAJRUFZPUPJ-INIZCTEOSA-N 346.471 4.005 0 50 EIAA Cc1ccccc1-c1ccc(-c2cc(C(=O)O)c3c(c2)nnn3C)cc1 214531667 GSBZRCGZLMBSNY-UHFFFAOYSA-N 343.386 4.309 0 50 EIAA O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccnc2ccccc12 221389096 GKGXQTFCNOBLIE-UHFFFAOYSA-N 344.336 4.113 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 250859413 UITNBJRZYAEYLY-AFNVMLQPSA-N 344.495 4.386 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 253608420 NCMZQTLCXHGLOK-QWSDNZPMSA-N 330.468 4.450 0 50 EIAA in-vitro COc1ccccc1[C@H]1CN(Cc2ccco2)Cc2ccccc2O1 299776026 MRRZTQADEHDRTO-OAQYLSRUSA-N 335.403 4.424 0 50 EIAA Cc1cc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)c2ccc(C(F)(F)F)cc2n1 1529168034 VWKNWUVBGOSZJR-WDNDVIMCSA-N 336.357 4.054 0 50 EIAA FC(F)(F)Oc1cccc(-c2cccn3nc(C(F)(F)F)nc23)c1 1875318713 TUYCPXMHDXXTIK-UHFFFAOYSA-N 347.218 4.314 0 50 EIAA CCOc1ccc(C)cc1S(=O)(=O)Oc1cccc2ccccc12 1875358159 LPAVBYFFCAWNJL-UHFFFAOYSA-N 342.416 4.315 0 50 EIAA OC[C@H](Cc1ccccc1)Nc1cc(C(F)(F)F)nc2ccccc12 2325735150 AOCLWDKWHXBZKY-AWEZNQCLSA-N 346.352 4.269 0 50 EIAA CCOc1ccc(CC(=O)Nc2cc(C)ccc2C)cc1OCC 142783 HDAFIWWVCJVXOA-UHFFFAOYSA-N 327.424 4.282 0 50 EIAA Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1 237452 DLJCEGYYZLJTJM-UHFFFAOYSA-N 326.377 4.154 0 50 EIAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1c(Cl)cccc1Cl 374170 GMMKIASTKPLAFP-FNORWQNLSA-N 336.174 4.374 0 50 EIAA Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1C 453611 HYQGDERYXXIGHH-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA Cc1csc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 3017394 PSIBIBOLEMQELQ-UHFFFAOYSA-N 332.372 4.201 0 50 EIAA CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 3907694 UDNUJOMSIAPOAB-UHFFFAOYSA-N 340.766 4.450 0 50 EIAA O[C@@H](CSc1ccccn1)Cn1c2c(c3ccccc31)CCCC2 4710133 KKVULXWNAMOYPI-OAHLLOKOSA-N 338.476 4.068 0 50 EIAA Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1 6699926 NXDMFIIYAGWAHD-UHFFFAOYSA-N 337.467 4.090 0 50 EIAA O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccn1 6733409 WJQBOBGVBBZLJU-OAHLLOKOSA-N 325.799 4.024 0 50 EIAA CCNc1c(NC(=O)Nc2ccccc2F)c(=O)oc2ccccc12 6743292 VVFGPRWKOQUILK-UHFFFAOYSA-N 341.342 4.008 0 50 EIAA CN(CC1CCN(CCc2ccccc2F)CC1)C[C@@H]1CC=CCC1 12194429 NQTLBBDMWXJRJB-LJQANCHMSA-N 344.518 4.368 0 50 EIAA COc1ccc(CC[C@H](C)Nc2cc(OC)c(OC)c(OC)c2)cc1 12383440 XNAXAQOSEYQXIF-AWEZNQCLSA-N 345.439 4.154 0 50 EIAA CN(C(=O)CC1=CCCCC1)[C@@H]1CCCN(CCc2ccccc2)C1 12438367 CTMAHIWRNVSJDN-OAQYLSRUSA-N 340.511 4.042 0 50 EIAA CC(=O)c1cc(CN2CCO[C@@H](CCCc3ccccc3)C2)cs1 20351698 YINRAARDUYVNSQ-IBGZPJMESA-N 343.492 4.174 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccncc1 22464352 HBRGWMZADGEQDI-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA O=C(O)CCSc1ncnc2scc(-c3ccc(F)cc3)c12 36108768 LJBWRIWNTJQHLZ-UHFFFAOYSA-N 334.397 4.064 0 50 EIAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OCC)cc2)no1 64984554 FLOQBXJLTHEYNS-SFHVURJKSA-N 343.427 4.395 0 50 EIAA Clc1cccnc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72158686 GAHIEKBURDWEDO-UHFFFAOYSA-N 335.798 4.285 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)c2c[nH]nc2C2CCCCC2)c(C)s1 77287973 OWWIYEDVVIEWQV-LLVKDONJSA-N 346.500 4.364 0 50 EIAA Cc1nccn1CC[C@H]1CCCCN1Cc1ccc(OC(F)F)cc1 77344254 TYBYSBRWGBAHEB-QGZVFWFLSA-N 349.425 4.238 0 50 EIAA CC(C)c1cc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)on1 91504963 SCZMBYXOTQQENP-UHFFFAOYSA-N 341.436 4.194 0 50 EIAA CC(C)Oc1c(Cl)cccc1NC(=O)N1CC(c2ccccn2)C1 96165827 VPTWTGNYKBBZIP-UHFFFAOYSA-N 345.830 4.154 0 50 EIAA Fc1ccc([C@H]2CCN2Cc2cnn(-c3cccc(F)c3)c2)cc1 97730032 WABWMDURXXQJNL-LJQANCHMSA-N 325.362 4.098 0 50 EIAA Fc1ccc([C@H](NCc2nnc(C3CC3)s2)C2CC2)cc1Cl 451360326 YAKVHPONSCVRAU-OAHLLOKOSA-N 337.851 4.449 0 50 EIAA Brc1ccc(-c2noc(-c3ccnn3C3CCCC3)n2)o1 675735005 BAAKPPZAHCJHAC-UHFFFAOYSA-N 349.188 4.071 0 50 EIAA Cc1cc(F)cc(C(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)c1 1289672764 KJUPLWVOWSFIFV-UHFFFAOYSA-N 346.365 4.325 0 50 EIAA O=C(O)[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 1857529877 HLSGLVUUBUJUKT-OLZOCXBDSA-N 345.345 4.071 0 50 EIAA COc1ccccc1-c1nc(CN[C@H](C)c2coc3ccccc23)no1 2325878479 QXQPJSTWYLUHSE-CYBMUJFWSA-N 349.390 4.342 0 50 EIAA COc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1 401580 ALGFWJDWRJBVIO-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccccc1 451361 VFUJZMBGMPOGJB-UHFFFAOYSA-N 332.428 4.065 0 50 EIAA O=C(NCc1ccccc1)c1ccc(COc2ccccc2Cl)o1 1012069 YLIOOIWDMCBDAF-UHFFFAOYSA-N 341.794 4.442 0 50 EIAA Cc1ccc(OCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2828153 AQILAGUUWJDSDN-UHFFFAOYSA-N 339.313 4.301 0 50 EIAA COc1cc(C=O)ccc1OCCCOc1ccc(C(C)C)cc1 2983831 GELRUKKVHLOWML-UHFFFAOYSA-N 328.408 4.479 0 50 EIAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)O 4701148 CTENGEUCBCFGAH-SOFGYWHQSA-N 336.174 4.344 0 50 EIAA Cc1ccccc1-n1c(/C=C/c2ccco2)nc2ccccc2c1=O 4785134 LFPXDSLVNVZRBE-OUKQBFOZSA-N 328.371 4.458 0 50 EIAA Cc1ccccc1C(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C 4838466 RVJNUNKGRZUVON-UHFFFAOYSA-N 335.407 4.096 0 50 EIAA c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)s2)cc1 6597369 JIGDDHVWHPYIHV-OAHLLOKOSA-N 342.445 4.343 0 50 EIAA CCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 15723724 PKNJGCOYTNRTQF-RYUDHWBXSA-N 346.477 4.088 0 50 EIAA C=C[C@](C)(C[C@@H](OC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)[C@H](O)CC 43762241 LECQFYAXBMWBMJ-OMFXLVFUSA-N 334.500 4.450 0 50 EIAA CC[C@@H](c1nccs1)n1cnc(-c2ccccc2)c1-c1nccn1C 65398440 XRJARFMRCJKXLS-HNNXBMFYSA-N 349.463 4.407 0 50 EIAA CNc1ccccc1C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65489077 AWFLEZVQNMATES-JOCHJYFZSA-N 348.446 4.199 0 50 EIAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cccc(CO)c1 72410089 CVEBQFYKLPAOLJ-UHFFFAOYSA-N 347.414 4.243 0 50 EIAA O=C(CCC(F)(F)F)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72481187 UMPPTTOBQVJART-ZDUSSCGKSA-N 343.324 4.098 0 50 EIAA COCCC[C@@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 77456522 SIDDZSXCBCLAFZ-KRWDZBQOSA-N 331.504 4.163 0 50 EIAA Clc1ccc(N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)nn1 91808037 GAAWPSIJJXQLTE-CQSZACIVSA-N 337.814 4.077 0 50 EIAA CC[C@@H](NC(=O)Cc1c(C)[nH]c2c(F)cccc12)c1cc(C)ccn1 91915512 SXUCTMGPUWOOJW-QGZVFWFLSA-N 339.414 4.129 0 50 EIAA O=C(Nc1ccccc1)O[C@@H]1[C@H]2CC[C@H]1[C@H](N1CCCCC1)CC2 100707333 WALSPJVXZJWMIB-GDAAHCPNSA-N 328.456 4.278 0 50 EIAA CCn1nc(C)c(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1C 121072999 KHKXFOVXEYDDPJ-DOMZBBRYSA-N 330.432 4.118 0 50 EIAA Cc1c(NC(=O)c2cccc(Cl)c2)cnn1-c1ccccc1F 129879129 GVEJTQCLTGKXLL-UHFFFAOYSA-N 329.762 4.226 0 50 EIAA CC(C)c1noc(C2CCN(c3nc4ccccc4s3)CC2)n1 130873525 WKUZOZFYJIQJFM-UHFFFAOYSA-N 328.441 4.187 0 50 EIAA Cc1c(-c2ccc(F)cc2)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O 136886070 NESLREWVIZMJAL-UHFFFAOYSA-N 345.781 4.383 0 50 EIAA COc1ccc(/C=C/CN[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 952979463 NERUQMZHEDVCDL-RDISGHRISA-N 341.495 4.018 0 50 EIAA O=C(Nc1ccc(O)cc1Cl)c1ccccc1OC(F)(F)F 1470055741 ZCDIGCDKQZKDJM-UHFFFAOYSA-N 331.677 4.197 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)Cc1cc(-c2cccnc2)no1 1506400359 FNTKFTDLSUFIHO-HXUWFJFHSA-N 336.439 4.495 0 50 EIAA C[C@@H](N)c1nc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cs1 1875361834 DKIXLOSYTNGLGQ-CYBMUJFWSA-N 349.459 4.033 0 50 EIAA COc1cc(C=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 58596 MRMHFLRWGHDADP-UHFFFAOYSA-N 325.147 4.034 0 50 EIAA biogenic CSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 335933 KDHXGZJLEYCMTG-MLGOLLRUSA-N 340.452 4.137 0 50 EIAA O=C(COc1ccccc1)N[C@H](Cc1ccccc1)c1ccccc1 406700 WLFCVFXMWRXDSJ-OAQYLSRUSA-N 331.415 4.166 0 50 EIAA CC(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1C 457425 ZPQLSCIMRNGPPS-UHFFFAOYSA-N 328.751 4.347 0 50 EIAA CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1 2827909 AKQHMZBAMLMVPJ-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA CCOc1ccc(NC(=O)c2cc(Br)ccc2F)cc1 4542197 OIZIURYHYFWKCF-UHFFFAOYSA-N 338.176 4.239 0 50 EIAA CCOC(=O)c1ccc(COC(=O)c2cccc3ccccc23)cc1 4593201 NKFXZKSKHVPDMV-UHFFFAOYSA-N 334.371 4.374 0 50 EIAA C[C@H]1CCCN(CCOCCOc2ccccc2-c2ccccc2)C1 4907497 PSCYBUVYHUPSDO-IBGZPJMESA-N 339.479 4.481 0 50 EIAA Oc1ccccc1-c1nc(Cc2ccccc2)nn1-c1ccccc1 5060724 FCTVNGXDSIQPGG-UHFFFAOYSA-N 327.387 4.231 0 50 EIAA Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Oc1ccccc1O 6389767 OFCGSSGDJZRPAJ-UHFFFAOYSA-N 349.312 4.401 0 50 EIAA CC1(C)CC(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)nc2C1 10156897 DBHTVYKJUZBVHY-UHFFFAOYSA-N 335.329 4.394 0 50 EIAA CCCNC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 12404487 AXJLDGGIOOHUHY-UHFFFAOYSA-N 346.430 4.161 0 50 EIAA Cc1cc(NC(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)no1 13331695 BMRAILCGQQNBIJ-UHFFFAOYSA-N 329.183 4.086 0 50 EIAA Cc1cc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c2c(C)noc2n1 13642174 OLGRQDBTJJHWMD-ZDUSSCGKSA-N 337.423 4.454 0 50 EIAA CCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3)s2)c1 18210059 RDBSNZPDCZMCPC-UHFFFAOYSA-N 340.408 4.248 0 50 EIAA CCCCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 20026993 IPFAFWZYQVDDPF-UHFFFAOYSA-N 336.479 4.165 0 50 EIAA CCc1nccn1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C 67723973 XRRGKJSRGNTLTP-UHFFFAOYSA-N 325.412 4.083 0 50 EIAA CCCOc1ccc(NC(=O)c2cc(C(C)C)nn2C)cc1Cl 81855548 KMAABFRZDKQEGY-UHFFFAOYSA-N 335.835 4.238 0 50 EIAA Cc1cc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c2ccc(F)cc2n1 82109107 YJUXLLZQIZRZBV-IBGZPJMESA-N 338.357 4.409 0 50 EIAA CO[C@@H](CNC(=O)c1c(C)[nH]c2ccccc12)c1ccccc1Cl 128320403 MIEMRACMMUPGLP-KRWDZBQOSA-N 342.826 4.247 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCO[C@@H](c2cccs2)C1 132983605 UQDDMFZCLIXVTK-CYBMUJFWSA-N 336.844 4.315 0 50 EIAA CC(C)(C)c1nsc(Nc2ccc(NC3CCOCC3)cc2)n1 159186648 DBYGJHYISUNWKU-UHFFFAOYSA-N 332.473 4.170 0 50 EIAA CC[C@H](NCCc1nc(C(C)C)no1)c1cccc(Cl)c1F 161813020 ZSIROKPEWWNJOM-ZDUSSCGKSA-N 325.815 4.269 0 50 EIAA Cc1csc(-c2ccc(NC(=O)C[C@@H](C)[C@@H]3CCCNC3)cc2)n1 237565325 VBJRHPTTYKHPRJ-CZUORRHYSA-N 343.496 4.083 0 50 EIAA O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCCc2sc(Cl)cc21 292127570 PHUDFMRTPMGZBY-ZDUSSCGKSA-N 345.855 4.014 0 50 EIAA Cc1ccccc1-c1ccc(NC(=O)N2CCC[C@]3(CCNC3)C2)cc1 299788997 UZAOJAUOFRGBHE-JOCHJYFZSA-N 349.478 4.269 0 50 EIAA O=C(c1occc1-c1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 684992035 PKOZVPCVHXKQJP-QRVBRYPASA-N 339.435 4.102 0 50 EIAA CCCCc1nc(COc2ccc([C@@H]3CCC(=O)N3)cc2)cs1 902785281 QDBTVPOUMYOMFX-INIZCTEOSA-N 330.453 4.016 0 50 EIAA Cc1cnc(NC(=O)C[C@H]2CCCC2(F)F)nc1-c1ccccc1 904962205 ZJIZXCOHIGAZPJ-CQSZACIVSA-N 331.366 4.216 0 50 EIAA CC(C)(C)OC(=O)NCc1ccc(-c2ccccc2C(=O)O)cc1 1772715646 CVRHPYPHFNAVDR-UHFFFAOYSA-N 327.380 4.077 0 50 EIAA Cc1cc(C(=O)N2CCCO[C@H](c3ccccc3Cl)C2)ccc1F 1875268683 AZGOIXZHKPUKSY-SFHVURJKSA-N 347.817 4.391 0 50 EIAA O=C(CCc1ccc(-c2ccccc2)cc1)N1CCc2cnccc21 2325744193 SSKSKCXRJAPDRL-UHFFFAOYSA-N 328.415 4.271 0 50 EIAA C[C@H]1Cc2cccc(C(=O)OCc3cncc(C(C)(C)C)c3)c2O1 2325855881 SIHFCABLPLGQKL-ZDUSSCGKSA-N 325.408 4.060 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1 233415 GOKNMRZMVWIXEX-UHFFFAOYSA-N 336.435 4.119 0 50 EIAA CC(C)(C)c1cn2c3ccccc3nc2n1CCCN1CCCCC1 274334 YFDRYCGEOKFMQM-UHFFFAOYSA-N 338.499 4.463 0 50 EIAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCC1 304233 PGIZRHRSXGNCDA-UHFFFAOYSA-N 325.195 4.193 0 50 EIAA CC(C)(C)c1cc2oc3c(c2c2cc(C(=O)O)c(=O)oc12)CCCC3 349875 UUCYGIOJIUTBDT-UHFFFAOYSA-N 340.375 4.414 0 50 EIAA O[C@H](c1ccccc1)c1nc2ccccc2n1CCOc1ccccc1 613025 YVKUTTUKTCLSGL-OAQYLSRUSA-N 344.414 4.197 0 50 EIAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N(C)C1CCCCC1 616698 HOIXIRWAMHNIRC-UHFFFAOYSA-N 339.501 4.080 0 50 EIAA Nc1c(C(=O)NC2CCCC2)sc2nc(-c3cccs3)ccc12 803912 HTUWAYYTRCAGAL-UHFFFAOYSA-N 343.477 4.279 0 50 EIAA CCOc1ccccc1NC(=O)CCCOc1cc(C)ccc1C 1779258 VWDLESUBIKHXJS-UHFFFAOYSA-N 327.424 4.500 0 50 EIAA CCCCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2)c1 2830281 SGERGPJHMNOJCD-UHFFFAOYSA-N 340.423 4.141 0 50 EIAA CC(C)(C)c1ccc(OCCNC(=O)c2cccc(Cl)c2)cc1 2839053 YAQGNDMEVCDNLY-UHFFFAOYSA-N 331.843 4.446 0 50 EIAA O=C(OCc1ccc(Cl)cc1Cl)c1cc(=O)[nH]c2ccccc12 4997712 XVBDUNSTJLONGR-UHFFFAOYSA-N 348.185 4.192 0 50 EIAA Cc1nc(Nc2nc3ccccc3s2)[nH]c(=O)c1Cc1ccccc1 5027650 IFRGPPGBDPAJAF-UHFFFAOYSA-N 348.431 4.022 0 50 EIAA COc1cccc(NC(=O)Nc2cccc(C)c2NC(=O)C(C)C)c1 6742980 SIKPHECZQKLTLT-UHFFFAOYSA-N 341.411 4.242 0 50 EIAA COc1ccc(OC)c([C@@H](C)NC(=S)Nc2ccc(C)cc2)c1 7371127 PIHQWSJUJWMYNT-CYBMUJFWSA-N 330.453 4.060 0 50 EIAA CCc1[nH]c2c(CNCc3nc4ccccc4[nH]3)cc(F)cc2c1C 11664594 KFAUMPICEPTKKN-UHFFFAOYSA-N 336.414 4.344 0 50 EIAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)C2CCCCC2)cc1 12401074 UHVLEDPNVXMXSC-KRWDZBQOSA-N 331.456 4.196 0 50 EIAA O=C(c1cc(-c2ccccc2Cl)on1)N1CCc2ccccc2C1 12846439 IKFSAGKCOXWDLJ-UHFFFAOYSA-N 338.794 4.194 0 50 EIAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(F)c1F 13961351 KQRLJEXNAIOLMG-UHFFFAOYSA-N 334.753 4.072 0 50 EIAA CCc1ccc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 17070939 LWBDHIJLQAFNNB-UHFFFAOYSA-N 337.467 4.220 0 50 EIAA CCn1ncc2c(C(F)F)cc(-c3ccc(OC)c(OC)c3)nc21 20603648 RZDQPTWNPMYTIV-UHFFFAOYSA-N 333.338 4.073 0 50 EIAA C[C@H](CNC(=O)Nc1cccc2ccccc12)Cn1cc(Cl)cn1 20606818 YPPXFBJUXDXILF-CYBMUJFWSA-N 342.830 4.148 0 50 EIAA Fc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1F 22876373 PAVUUPCGSDKDRN-WOJBJXKFSA-N 334.454 4.194 0 50 EIAA CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 25556488 YAPZUKSWNYMANR-BFMMEKFXSA-N 330.468 4.308 0 50 EIAA Cc1cc(CN2CCCC2)cc(Oc2ccc(C(=O)N(C)C)cc2)c1 67769568 UHGVNIVDEGFMAS-UHFFFAOYSA-N 338.451 4.085 0 50 EIAA CC(C)c1noc(Cn2ccnc2-c2ccccc2-c2ccco2)n1 71422458 KWCFYOOSZXEZGR-UHFFFAOYSA-N 334.379 4.365 0 50 EIAA Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)nn1 72442436 HFWVENRESPYRFO-UHFFFAOYSA-N 339.782 4.483 0 50 EIAA Cc1nc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C(C)C)cs1 96160080 URKGMICUCVIDBZ-SFHVURJKSA-N 339.464 4.328 0 50 EIAA CC1CCC(Nc2ncncc2-c2nc(-c3ccccc3)no2)CC1 169781047 HCQSULSWFXEZRZ-UHFFFAOYSA-N 335.411 4.184 0 50 EIAA Cc1nc2ccccc2nc1NCCCn1c(C)nc2ccccc21 170594789 IDQPYTWNGXNMAS-UHFFFAOYSA-N 331.423 4.099 0 50 EIAA Cc1cc(-c2ncccc2NC(=O)c2sc(C)nc2C)cs1 186897701 WVZHASQQDVJSAJ-UHFFFAOYSA-N 329.450 4.444 0 50 EIAA CC[C@H](C)n1ncc(C(=O)NCC2(C(F)(F)F)CCC2)c1C1CC1 343198509 VKVAHFSDACGPKB-NSHDSACASA-N 343.393 4.194 0 50 EIAA Cc1cc(Cl)c2c(c1)[C@H](N(Cc1nnc(C)o1)C1CC1)CCCO2 408513646 PAZBHQXUWBAFQV-MRXNPFEDSA-N 347.846 4.218 0 50 EIAA O=C(Nc1n[nH]c2cc(F)ccc12)c1ccncc1Oc1ccccc1 442743580 FNOMBARHGFGDAY-UHFFFAOYSA-N 348.337 4.142 0 50 EIAA Cc1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)sc1C(=O)O 534673153 LTHPWOQNEUIWCV-UHFFFAOYSA-N 346.452 4.076 0 50 EIAA CN(C(=O)c1cc(Cl)cs1)[C@@H]1CCCN(Cc2ccccc2)C1 758523120 DJRGGZRMURTPIP-MRXNPFEDSA-N 348.899 4.138 0 50 EIAA O=C(O)c1cccc(CN2CCCCC[C@@H]2/C=C/c2cccs2)n1 902527072 DLIKHLHJVLIDSN-SIFUEBAJSA-N 342.464 4.299 0 50 EIAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)n[nH]2)o1 1290744559 VYWLERHRKNHFIA-KGLIPLIRSA-N 329.444 4.313 0 50 EIAA CCn1c(SC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 119076 AFGDRVXPCMLENL-UHFFFAOYSA-N 340.492 4.410 0 50 EIAA biogenic CCN(CC)CCNc1ncnc2scc(-c3ccc(F)cc3)c12 149262 CQMOXYCORVGSSV-UHFFFAOYSA-N 344.459 4.251 0 50 EIAA O=C(Nc1ccccc1NC(=O)c1cccs1)c1cccs1 290576 RVWRILBOADUFNK-UHFFFAOYSA-N 328.418 4.314 0 50 EIAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C(=O)OC)cc1 359062 ZPJBBEDDHMJYNS-AWEZNQCLSA-N 341.407 4.004 0 50 EIAA CCn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 422171 YCRQXBFFTSUFSD-UHFFFAOYSA-N 330.844 4.306 0 50 EIAA COc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 1121692 OLKJXCXWZDGGJK-UHFFFAOYSA-N 341.263 4.489 0 50 EIAA OCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 2359597 XPPBQVIHZZMRDA-UHFFFAOYSA-N 335.234 4.316 0 50 EIAA COc1cc(C)ccc1OCCOCCOc1ccccc1Cl 2985678 HAYMHWPNTNBFLK-UHFFFAOYSA-N 336.815 4.131 0 50 EIAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1cccnc1 8718611 JKFUDOXUMNHOSB-UHFFFAOYSA-N 341.414 4.020 0 50 EIAA CCOc1ccccc1-c1nc(CN(C)[C@H](C)c2ccon2)c(C)o1 12385935 AQOIBFRQWMIABM-CYBMUJFWSA-N 341.411 4.230 0 50 EIAA Fc1ccccc1-c1nnc2sc(-c3cc4ccccc4[nH]3)nn12 13690286 JSAVTZXSADOESF-UHFFFAOYSA-N 335.367 4.140 0 50 EIAA CC(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1 77303494 OSPMMQPZNAMHES-LJQANCHMSA-N 325.383 4.396 0 50 EIAA Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77519270 NMFDBKRRVZSWGY-GOSISDBHSA-N 330.403 4.117 0 50 EIAA CC(C)C[C@@H](O)CNc1ncnc2sc(-c3ccccc3)cc12 170600307 NZJOXWNRLJPMIG-CQSZACIVSA-N 327.453 4.177 0 50 EIAA Cc1oc2c(c1C(=O)N1CCC[C@H]1c1ccc(F)cc1)C(=O)CCC2 221202746 WRVQNUYYDVQQAZ-HNNXBMFYSA-N 341.382 4.223 0 50 EIAA CCc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 239415234 UAPMFWFLFBRFLV-FGZHOGPDSA-N 326.528 4.478 0 50 EIAA CCc1noc(C2CCC(NCC3CCC(F)(F)CC3)CC2)n1 242273548 YDPNNJAZYRUWBP-UHFFFAOYSA-N 327.419 4.073 0 50 EIAA CCC1CCC(c2noc(C3CCN(C(=O)C(C)C)CC3)n2)CC1 252551091 TZPWEFSDMJDOFC-UHFFFAOYSA-N 333.476 4.115 0 50 EIAA CCc1nnc(CN[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)o1 253417242 CMTHNOUOBAIFOH-ZIAGYGMSSA-N 339.361 4.077 0 50 EIAA CC1(C)[C@H]2CC[C@]1(C)C1=C2[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 257358670 VSHZRTNKMMJCAE-QDDDGVNJSA-N 347.458 4.195 0 50 EIAA CN(Cc1ccccn1)[C@H]1CCCN(Cc2cccc3[nH]ccc23)CC1 275824824 VAQKXHOBQYXVGS-FQEVSTJZSA-N 348.494 4.049 0 50 EIAA c1ccc(-c2ccc(-c3noc([C@@H]4OC[C@H]5COCC[C@@H]54)n3)cc2)cc1 289786622 LOWSTUDCOHDGEC-CEXWTWQISA-N 348.402 4.128 0 50 EIAA O=C(NCCn1cccc1)N1CCCC[C@@H]1c1ccc(Cl)cc1 1679886892 DXHJPCUWTCICDQ-QGZVFWFLSA-N 331.847 4.078 0 50 EIAA COc1ncccc1CCn1ccnc1-c1ccc(C)c2ncccc12 1857679529 YBNMOCQZMBKRHS-UHFFFAOYSA-N 344.418 4.053 0 50 EIAA CC(=O)c1ccnc(N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)c1 1875241273 SNXKVSFTGPSZAG-RBUKOAKNSA-N 338.451 4.277 0 50 EIAA Cc1cc(C(=O)N2CC[C@H]3CC[C@@]32c2cccs2)cc2nc[nH]c12 1875408561 ZGCAOGOPYMWKDR-KUHUBIRLSA-N 337.448 4.084 0 50 EIAA CSc1ccc(NC(=O)N2CCC[C@H]2c2cc(F)ccc2F)cn1 2325818489 FLVUJBSKGYGRKY-HNNXBMFYSA-N 349.406 4.451 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@H](Cc1ccccc1C)C1CC1 2325841303 NSCNDRLVIRJWPJ-AUSIDOKSSA-N 337.507 4.065 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 183836 RZGKBAHOCNQEHN-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCC2 185126 SDMHYSNLXAEIDF-UHFFFAOYSA-N 344.436 4.448 0 50 EIAA biogenic CC(=O)Oc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c1C 302252 AXNUEOINFFKGKO-UHFFFAOYSA-N 342.322 4.267 0 50 EIAA COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@H](c2ccco2)C1 385985 BETUXAPBFPGAPT-SFHVURJKSA-N 346.386 4.280 0 50 EIAA Cc1nc(NC(=O)CSc2nc3ccccc3s2)sc1C 563122 CIVVIKBKXLDMEH-UHFFFAOYSA-N 335.479 4.100 0 50 EIAA O=C(c1cccs1)c1ccc(OCCCO)c(Cl)c1Cl 2509843 UGJUNCJBZLALDV-UHFFFAOYSA-N 331.220 4.047 0 50 EIAA in-vitro Cc1ccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)cc1 2532571 GCDJKUDPSTYFAV-UHFFFAOYSA-N 328.213 4.192 0 50 EIAA O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)cc1)CCC3 2643700 RXRNIQDQLZEFIN-UHFFFAOYSA-N 334.853 4.252 0 50 EIAA CCCCOC(=O)c1ccc(NC(=O)c2cccc(OCC)c2)cc1 2745956 ZHAUCXFSZJTITF-UHFFFAOYSA-N 341.407 4.295 0 50 EIAA Cc1ccccc1Cn1cc(NC(=S)NC2CCCCCC2)cn1 2799406 XSOFMXNOXSPWSL-UHFFFAOYSA-N 342.512 4.249 0 50 EIAA O=C(Nc1nnc(C2CC2)s1)c1cc2c(s1)CCCCCC2 2872588 ZHCLXULMBGPQMT-UHFFFAOYSA-N 333.482 4.388 0 50 EIAA O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1F 2940431 PVFOAANMPYRWGW-UHFFFAOYSA-N 334.350 4.330 0 50 EIAA CC[C@@H](C)c1ccccc1OCCCn1cnc2ccccc2c1=O 3000348 NEZMXCYLOWDBEY-MRXNPFEDSA-N 336.435 4.379 0 50 EIAA CC(=O)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 4624280 IDLXVZLOIZFVQL-UHFFFAOYSA-N 336.416 4.168 0 50 EIAA COc1ccc(CCN(C)C2C3CC4CC(C3)CC2C4)cc1OC 4989195 VEZXLXXUIXEVOQ-UHFFFAOYSA-N 329.484 4.003 0 50 EIAA COc1ccc(C[C@H](C)NCCc2cccc(Cl)c2)cc1OC 4989464 ZOYFTYFFKMZGGJ-AWEZNQCLSA-N 333.859 4.121 0 50 EIAA CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1 7720089 ICWXADJYKHOZLQ-UHFFFAOYSA-N 335.407 4.178 0 50 EIAA COc1cccc2c(C)cc(SCC(=O)NC3CCCCC3)nc12 11907534 SWCXSTBJHKGSAU-UHFFFAOYSA-N 344.480 4.093 0 50 EIAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C2CCCC2)cc1C 12595458 BRXPPKXDRLJCSG-LJQANCHMSA-N 337.467 4.173 0 50 EIAA C[C@H](OC(=O)Cc1ccc(F)cc1F)C(Cl)=C(Cl)Cl 23115373 GGUGGJKTOXEQNT-LURJTMIESA-N 329.557 4.325 0 50 EIAA c1ccc2c(c1)CC(N1CCC[C@@H](NCc3cc4ccccc4o3)C1)C2 39364516 ALIREJNBQSBZQT-HXUWFJFHSA-N 346.474 4.154 0 50 EIAA C[C@H](c1ccncn1)N(C)Cc1c[nH]nc1-c1cccc2ccccc12 67787212 XRGCTOWCPBQALA-OAHLLOKOSA-N 343.434 4.213 0 50 EIAA CC(C)=CCC/C(C)=C/CN1CCC(c2cc(O)nc(C)n2)CC1 72148572 SARWERFKNNNALY-LZYBPNLTSA-N 329.488 4.363 0 50 EIAA c1cnn(CCC2CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)c1 77377759 QMWQINJOVIFOJU-IBGZPJMESA-N 343.471 4.020 0 50 EIAA Cc1cc(N2CC[C@@H](c3ccc(C(=O)O)cc3)C2)nc2ccccc12 77485332 WKCGOELSPCCLPD-QGZVFWFLSA-N 332.403 4.235 0 50 EIAA COc1ccc(C(N)=O)cc1-c1ccc([C@@H](C)N2CCCCC2)cc1 96163257 RFOHLYDWJLVYOO-OAHLLOKOSA-N 338.451 4.008 0 50 EIAA C[S@](=O)Cc1cc(NC(=O)CC2=CCCCC2)ccc1Cl 115264699 DVMLVFVIXSPGRG-OAQYLSRUSA-N 325.861 4.048 0 50 EIAA CC(C)Cn1ccnc1CN[C@@H]1CCCOc2cc3c(cc21)CCC3 122475873 LUTCHGWVLCGNNS-LJQANCHMSA-N 339.483 4.031 0 50 EIAA O=C(N[C@@H]1CCOC2(CCCC2)C1)N[C@@H]1CCSc2ccccc21 132984372 NGFSGFVIHZBPBS-GDBMZVCRSA-N 346.496 4.015 0 50 EIAA CC[C@@H](c1ccncc1)N(CC)C(=O)C[C@H]1OCCc2ccccc21 157101439 VCZUHYUIDNPGGL-VQTJNVASSA-N 338.451 4.085 0 50 EIAA Cc1nc(C(F)(F)F)c(CSC(=S)N2CCCC2)s1 183843776 MHINDGCJFSKILJ-UHFFFAOYSA-N 326.434 4.084 0 50 EIAA CC(C)(C)OC(=O)c1ccc(Br)cc1C(F)(F)F 205185018 CWKYDABPVUYWKO-UHFFFAOYSA-N 325.124 4.423 0 50 EIAA COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1 242302143 YPWKBTDVBFAZMU-JLSDUUJJSA-N 346.471 4.129 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@H]1CCC2=O 245240584 QGISYVREUUQQKE-ADXOPFBHSA-N 332.484 4.341 0 50 EIAA Cc1cc(CN[C@@H](CC(C)(C)C)c2ccccc2)nc(N(C)C)n1 252487635 HYQCBUGEABYKMF-SFHVURJKSA-N 326.488 4.118 0 50 EIAA O=C(NCC[C@@H]1CCCN1)Nc1cccc(-c2cccc(Cl)c2)c1 299779801 QKLWLURUHNELIG-KRWDZBQOSA-N 343.858 4.271 0 50 EIAA C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cn(C)nc1C(C)(C)C 331830098 QYMWPKHNWAHLGQ-ZDUSSCGKSA-N 339.439 4.297 0 50 EIAA CSCc1ccccc1NC(=O)c1ccc(CN2CCCCC2)o1 928995609 CYYYDMGHIKJLFU-UHFFFAOYSA-N 344.480 4.381 0 50 EIAA C[C@H](CNc1ncccc1C(=O)N1CCCC1)c1ccc(Cl)cc1 1529185904 SICXIZWGOXROOX-CQSZACIVSA-N 343.858 4.187 0 50 EIAA Cn1ccc(C2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1=O 1772819899 WYKWZIYPMPOYHK-UHFFFAOYSA-N 338.495 4.062 0 50 EIAA CC[C@H]1C[C@H](n2ccnc2-c2ccc3cc(OC)ccc3c2)CCN1 1857699849 ARRONBMQFKDHQZ-RBUKOAKNSA-N 335.451 4.415 0 50 EIAA COc1ccc2cc(CN[C@H](C)c3cnc4n3CCCC4)ccc2c1 2325777543 JTQSPIIOHYJBLM-OAHLLOKOSA-N 335.451 4.232 0 50 EIAA COc1ccc2cc([C@H](C)C(=O)N[C@H]3CC[C@H](OC)CC3)ccc2c1 2356143526 LOVHJKXTMOSFLQ-JVPBZIDWSA-N 341.451 4.026 0 50 EIAA COc1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 130339 SCKURRPDLRRERI-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA CCc1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 131100 AVFVNTXCNAXJRO-UHFFFAOYSA-N 338.451 4.257 0 50 EIAA CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 156931 MXYUKLILVYORSK-QHAWAJNXSA-N 337.463 4.236 0 50 EIAA biogenic,in-vitro Cc1ccc(C)c(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 368152 LIPMGWZEXXRHLF-UHFFFAOYSA-N 327.767 4.316 0 50 EIAA COc1cc(C=O)ccc1OCCCOc1ccc(C)cc1Cl 2984883 WMCVQQCKJGHYDS-UHFFFAOYSA-N 334.799 4.317 0 50 EIAA CCCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1 3002626 FFNUDCOOUBDZHS-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2O)on1 3908578 UPNTURCKWIZODX-UHFFFAOYSA-N 348.280 4.318 0 50 EIAA Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)O)[C@H](C)c2ccccc2)c1 5277192 CBSPWPMVKJUHTL-NVXWUHKLSA-N 325.408 4.137 0 50 EIAA Cc1nn([C@@H](C)c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1Cl 8548549 NFAHSAUGJFVJOJ-IWERZKIRSA-N 346.862 4.305 0 50 EIAA CSc1cccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c1 12429708 YYURZIRBLUTIHO-NRFANRHFSA-N 341.520 4.226 0 50 EIAA COc1ccc([C@@H](C)NCc2c[nH]nc2-c2ccc(F)cc2F)cc1 12445784 ISPJJVIQZRGCDD-GFCCVEGCSA-N 343.377 4.214 0 50 EIAA O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1Cl 13816139 COSZKNAJGJHLQA-UHFFFAOYSA-N 343.839 4.189 0 50 EIAA CCCCc1n[nH]c(SCC(=O)Nc2cccc3ccccc23)n1 18093782 HYQWTIPQKIBDCZ-UHFFFAOYSA-N 340.452 4.031 0 50 EIAA Cc1cc([C@@H]2CCCCN2Cc2ccc(CCC(C)(C)O)cc2)no1 72407268 KISMLFZUSWHZRG-FQEVSTJZSA-N 342.483 4.414 0 50 EIAA O=C(c1ccc(F)cc1F)N1CCC[C@@H](COc2ccc(F)cc2)C1 77505958 MUWZNOCKQSIBJK-CYBMUJFWSA-N 349.352 4.035 0 50 EIAA CCCCn1ccnc1[C@H]1CCCN(Cc2csc(CC)n2)C1 95379110 OIQIERBEIIWLLZ-HNNXBMFYSA-N 332.517 4.082 0 50 EIAA CC(C)COc1cc(F)cc(-c2cc(C(=O)NC(C)C)ccn2)c1 97594944 KWIBYSQLPDENBS-UHFFFAOYSA-N 330.403 4.061 0 50 EIAA O=C(c1ccon1)N(CCC1=CCCCC1)Cc1ccc(F)cc1 97823088 ZVIKHQZSQKDMMA-UHFFFAOYSA-N 328.387 4.347 0 50 EIAA CC(C)Nc1ncccc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 170631968 VSPWAMNDRZCACP-UHFFFAOYSA-N 344.434 4.138 0 50 EIAA Cc1cc(COc2ccccc2)oc1C(=O)N(C)C1CCSCC1 220619016 UWIUDTIICRMDOT-UHFFFAOYSA-N 345.464 4.135 0 50 EIAA CO[C@@H](C)c1nsc(N(CCc2ccccc2F)C2CCCC2)n1 225811888 LWFXJTDTJIYNMK-ZDUSSCGKSA-N 349.475 4.376 0 50 EIAA Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCC4=C4CCC[C@H]4[C@H]3C2=O)c(C)c1 239125118 JYCRFHOUJNWOOZ-LFGUQSLTSA-N 335.447 4.319 0 50 EIAA CCOC(=O)c1sc2cc(C(F)(F)F)cnc2c1-n1cccc1 261494787 GUENOBHHDDRCEE-UHFFFAOYSA-N 340.326 4.283 0 50 EIAA c1ccc2c(c1)CCCN2CCNCc1ccc([C@@H]2CCCCO2)o1 952872462 QAIBKXPUZAOQCB-FQEVSTJZSA-N 340.467 4.064 0 50 EIAA CC(C)c1ccc(S(=O)(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1 1210228984 NHSDBQCJWDCJOM-KXBFYZLASA-N 329.465 4.192 0 50 EIAA CNC(=O)Cc1ccccc1NCC(c1ccccc1)c1ccccc1 1347689269 DFVNWRJFQNGJEL-UHFFFAOYSA-N 344.458 4.219 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccc(C)cc3)CC1)C2 1704299096 NPVXIFBHWZKVJD-FGZHOGPDSA-N 342.527 4.245 0 50 EIAA O=C(NC[C@H]1[C@H]2COCC[C@@H]21)c1cc(-c2ccccc2)ccc1Cl 1875312258 JNGIEQXYPCKVAL-NXHRZFHOSA-N 341.838 4.019 0 50 EIAA CC(C)c1nc(CN2CCC(c3ccnc(Cl)n3)CC2)cs1 1875368050 LVGQYXCDMDDYRE-UHFFFAOYSA-N 336.892 4.090 0 50 EIAA CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccc2ccccc12 619700 IIDJQQVGXOWVDC-UHFFFAOYSA-N 341.414 4.394 0 50 EIAA O=C(O)C1CCN(c2nc(-c3cccc4ccccc34)cs2)CC1 1058427 FFOAIRAKFXHEIM-UHFFFAOYSA-N 338.432 4.264 0 50 EIAA COCCOC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12 2286315 AOBFUOFDQKCREL-UHFFFAOYSA-N 340.375 4.123 0 50 EIAA biogenic Cc1nc(S[C@@H](C(=O)O)c2ccccc2)cc(-c2ccccc2)n1 4279263 OMWZPDYSDWZBQJ-GOSISDBHSA-N 336.416 4.370 0 50 EIAA CCOc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1OC 4866844 AFGYWEPALVRPEJ-UHFFFAOYSA-N 339.313 4.365 0 50 EIAA CCOc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1 5247670 OHKIQDLVYIZTKS-UHFFFAOYSA-N 332.201 4.095 0 50 EIAA COc1ccccc1OCCSc1nc2ccc(N)cc2s1 5738979 UFXSFWBGDUHGRM-UHFFFAOYSA-N 332.450 4.058 0 50 EIAA COc1cccc(C(=O)O)c1OCc1ccc(Cl)cc1Cl 8495409 JLKDMNKYHBKWCV-UHFFFAOYSA-N 327.163 4.279 0 50 EIAA CCc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1 11690271 GOQRLERPBZCJDJ-UHFFFAOYSA-N 334.423 4.007 0 50 EIAA CC(C)C[C@@H](O)c1ccc2c(c1)CN(Cc1ccc(F)cc1)CCO2 12035282 UPDSSFQPDHZPET-HXUWFJFHSA-N 343.442 4.300 0 50 EIAA CCc1nc(C)c(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)[nH]1 12299676 RWHTXIUNLMRYBJ-HNNXBMFYSA-N 345.874 4.029 0 50 EIAA CN1CCC[C@H]1CCn1ccc(-c2cccc(-c3cccnc3)c2)n1 19794885 LUSSMHQVVDUVTQ-FQEVSTJZSA-N 332.451 4.096 0 50 EIAA COc1ccc2ccccc2c1-c1cccc(-c2ccn(CCO)n2)c1 20781458 FCRYJPJWSLHREK-UHFFFAOYSA-N 344.414 4.371 0 50 EIAA C[C@H]1CCC[C@@H](C)N1CCC[C@](O)(c1ccccc1)c1cccnc1 102196795 NPQAWCNDVWTXAM-JQVVWYNYSA-N 338.495 4.361 0 50 EIAA Cc1cc(C)c(CSCC(=O)N2CCO[C@H]3CCCC[C@H]32)c(C)c1 170615350 QUUWFBLDGZAGRN-MOPGFXCFSA-N 347.524 4.015 0 50 EIAA COc1cccc(NC(=O)c2occc2C(C)C)c1Br 252484644 GCKYMESTXDGNRY-UHFFFAOYSA-N 338.201 4.426 0 50 EIAA C[C@@H](NC[C@@H]1CCO[C@H]1c1ncc[nH]1)c1cc(Cl)ccc1Cl 886035428 WHFDFZFONXSRSK-JRPNMDOOSA-N 340.254 4.145 0 50 EIAA CCc1cc2c(N3CCCC[C@@H]3c3ncccn3)nc(C)nc2s1 895976343 DXTMTICWUBZINO-OAHLLOKOSA-N 339.468 4.084 0 50 EIAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1occ2c1CCCC2 1875305152 IXFIKWLQSYQUJY-SAABIXHNSA-N 339.435 4.278 0 50 EIAA CC(C)[C@H]1CC[C@H](C)N(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875329707 DZRZMEYRZJGNGU-RYUDHWBXSA-N 343.393 4.134 0 50 EIAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CC[C@@]12CCC(C)(C)C2 2325792837 PHYRJNVVRCXPCE-AUUYWEPGSA-N 348.512 4.140 0 50 EIAA O=c1cc(-c2ccccc2)ncn1Cc1cc(F)cc(C(F)(F)F)c1 2325821423 NGODKVVTCCUJRL-UHFFFAOYSA-N 348.299 4.117 0 50 EIAA COc1ccc(C(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 91854 DRJGXWBJXIMNCY-UHFFFAOYSA-N 346.839 4.388 0 50 EIAA CCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC2 127233 HBHRYZBFDFNVLP-UHFFFAOYSA-N 348.855 4.491 0 50 EIAA COc1ccc(NC(=O)C[C@@H]2c3ccccc3CC(C)(C)N2C)cc1 343583 OTNUDQOBBSOGEU-LJQANCHMSA-N 338.451 4.032 0 50 EIAA biogenic COc1ccc(NC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 401534 BWCBXVNGOCYLCO-UHFFFAOYSA-N 336.775 4.010 0 50 EIAA CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 1069328 TXOYBZJLDLKSPO-ZDUSSCGKSA-N 343.398 4.196 0 50 EIAA CC(NC(=O)Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F 2098014 YNKRNPREYCRECL-UHFFFAOYSA-N 334.647 4.345 0 50 EIAA O=C(Nc1cccnc1)c1ccc(COc2ccccc2Cl)o1 2836758 PBOMWPLQIPOQCM-UHFFFAOYSA-N 328.755 4.159 0 50 EIAA COC(=O)c1cc(C)sc1NC(=S)Nc1ccc(Cl)cc1 6825618 NJZVZVBRVCIWAW-UHFFFAOYSA-N 340.857 4.305 0 50 EIAA Clc1ccc(OCCCc2n[nH]c(-c3cccnc3)n2)c(Cl)c1 7986359 HIYQXHDIWYNNJF-UHFFFAOYSA-N 349.221 4.185 0 50 EIAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Nc2ccccc2)c1C 12707019 UPABSOREJHRPBL-OAHLLOKOSA-N 334.423 4.372 0 50 EIAA Cc1ccsc1-c1nc(CN2CC(N3CCCC[C@H]3C)C2)c(C)o1 67714288 WHSAUZISIVEXIX-CQSZACIVSA-N 345.512 4.079 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3cnc4ccccn34)c(C)c2c1 91808724 XVSVLWOCDSXGRI-UHFFFAOYSA-N 346.434 4.013 0 50 EIAA COC[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 95522767 JOBQEKKLNIDRFM-JTQLQIEISA-N 336.741 4.002 0 50 EIAA CCn1nc(C)c(NC(=O)Nc2sc(C)nc2CC(C)C)c1C 135463613 HWWZYOHGBWEVEO-UHFFFAOYSA-N 335.477 4.127 0 50 EIAA O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCCc2c(O)cccc21 190161435 LUKGRUXCIBSCSO-KRWDZBQOSA-N 334.375 4.106 0 50 EIAA Cc1nc2c(s1)[C@@H](N(C)C(=O)Cc1ccc(Cl)s1)CCC2 193634392 REJXSSCMYZNXGB-LBPRGKRZSA-N 340.901 4.245 0 50 EIAA CC(C)c1cc(C(=O)N2CC[C@H]2c2ccccc2F)nn1C(C)(C)C 252570779 XDSIOWVEAXSGOX-KRWDZBQOSA-N 343.446 4.488 0 50 EIAA CSc1cccc(NC(=O)N[C@@H]2CCCC23CCOCC3)c1C 282077044 NMWBXIHGWXNATF-MRXNPFEDSA-N 334.485 4.188 0 50 EIAA Clc1cccc2c1OCCC[C@@H]2Nc1ccc2nccnc2n1 302049672 ZTZNMCSVXAGEQR-ZDUSSCGKSA-N 326.787 4.004 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccco1)NCCc1cccs1 827802426 KPSRBNRWDOWVQF-QGZVFWFLSA-N 325.433 4.222 0 50 EIAA O=C(Nc1ccc(C2CCC2)cn1)N1CCC[C@H]1c1ccc(O)cc1 931575079 TUGAMXHSWIPUIE-SFHVURJKSA-N 337.423 4.424 0 50 EIAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(-c2ccccc2C)c1 1857698227 YLEDCCGEPGGYPW-WPYKKVEZSA-N 349.474 4.428 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2ccc(OCC)cc2)C[C@H](C(C)C)O1 1857718511 XPSLHFSRZCIPKB-RTBURBONSA-N 333.472 4.141 0 50 EIAA COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C)c(C)c1 319032 USJBSPALORDWHL-UHFFFAOYSA-N 333.815 4.291 0 50 EIAA Nc1cc(NC(=O)c2cccc(Cl)c2)cc(Oc2cccnc2)c1 322678 HMXKIYPXDUHHDA-UHFFFAOYSA-N 339.782 4.362 0 50 EIAA Cc1cc(C)nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 2885300 LQDLNDUQNDPWEB-UHFFFAOYSA-N 342.251 4.131 0 50 EIAA c1ccc(CCN2CCC(NC3C4CC5CC(C4)CC3C5)CC2)cc1 3682043 QXQRADNSWWQJGV-UHFFFAOYSA-N 338.539 4.108 0 50 EIAA CCN(CC)C1=N[C@@H]2Nc3ccccc3N(CC)[C@H]2[C@@H]1c1ccccc1 5322266 FEAZVMDHAGNEQZ-ACRUOGEOSA-N 348.494 4.171 0 50 EIAA Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)CCn1ccnc1 19839800 PGHTWOSVSZCABJ-UHFFFAOYSA-N 346.434 4.132 0 50 EIAA CC[C@@H](C)N(Cc1cccnc1)Cc1c[nH]nc1-c1ccc(F)cc1 55167768 KUKJKWSYUPUOSY-OAHLLOKOSA-N 338.430 4.412 0 50 EIAA CCCc1nc(CN(CC)C(=O)c2oc3cc(C)ccc3c2C)no1 55368605 AXDUDTNQFJFVAM-UHFFFAOYSA-N 341.411 4.047 0 50 EIAA Cc1cc2c(cc1O)NC(=O)C[C@H]2c1nc(-c2ccccc2)oc1C 65428171 LSDFWASRQPHJBR-OAHLLOKOSA-N 334.375 4.138 0 50 EIAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)Cc1c(C)[nH]c2ccccc12 67817474 WGTNHDDYJZWYPD-CQSZACIVSA-N 336.439 4.133 0 50 EIAA C[C@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1-c1ncc[nH]1 67948055 YBUBQICMWGAXBX-OAHLLOKOSA-N 338.455 4.442 0 50 EIAA c1cc(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)ccn1 72407687 BEQWGIIXTKKPDX-UHFFFAOYSA-N 336.483 4.299 0 50 EIAA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 101832919 UFPMJQOFADETFW-RKVPGOIHSA-N 336.347 4.120 0 50 EIAA COc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2csc(C)n2)cc1 102677761 BTBUGYMIXVHMMG-MUJYYYPQSA-N 342.464 4.011 0 50 EIAA O=C(c1coc2ccccc12)N1CCO[C@@H](c2ccccc2Cl)C1 113171604 AAULAEDHCFTRJE-GOSISDBHSA-N 341.794 4.300 0 50 EIAA CN(C)CC(=O)Nc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1 132118697 KNMPISAQOGAWQQ-UHFFFAOYSA-N 339.483 4.096 0 50 EIAA Cc1cc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)nc(C2CC2)n1 185849003 RBXGUFVSJVCUDL-MRXNPFEDSA-N 347.821 4.033 0 50 EIAA O=C(Nc1ccc2cc[nH]c2c1)N(CCO)[C@@H]1CCCc2ccccc21 194291377 UQKVGRQFRXJBLR-HXUWFJFHSA-N 349.434 4.072 0 50 EIAA CO[C@H](c1nc(CCCOc2cccc3ccccc23)no1)C1CC1 289067140 ZERINZVDBUPDOZ-IBGZPJMESA-N 338.407 4.332 0 50 EIAA CC(C)N(Cc1ncc(C2OCCO2)s1)[C@H](C)c1ccccc1 292791627 MMRXGPYSNTZZLG-CQSZACIVSA-N 332.469 4.160 0 50 EIAA CC[C@H]1CN(Cc2ccc(COC)o2)Cc2ccc(Cl)cc2O1 299782289 VOWJXGJHBAVFAI-HNNXBMFYSA-N 335.831 4.253 0 50 EIAA CO[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3SC)cc2)C1 426479726 KHNRVNBAANSUDO-KRWDZBQOSA-N 341.476 4.327 0 50 EIAA CC(=O)N1CCC[C@H](CN[C@@H](C)C[C@H](C)SC2CCCCC2)C1 888096079 JJLFRFWQGVJMRM-XYJFISCASA-N 340.577 4.068 0 50 EIAA CC(=O)O[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 1500997236 BBOKJENTPRWCBO-QZBQPBHFSA-N 334.500 4.322 0 50 EIAA CC(=O)c1cc(C(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)cs1 1506420570 JKZWULGWRAVGNB-FQEVSTJZSA-N 341.476 4.391 0 50 EIAA Cc1ccc2c(CN3CCC[C@H](c4ccncc4)CC3)cc(=O)oc2c1 1875281665 OXYMLWZRDLYNJL-KRWDZBQOSA-N 348.446 4.266 0 50 EIAA CC1(c2cc(C(=O)N[C@H]3CC[C@@H](c4cccc(Cl)c4)C3)[nH]n2)CC1 2325840350 YUIKHEAMKJNYSK-HIFRSBDPSA-N 343.858 4.181 0 50 EIAA O=C(NCCC1=CCCCC1)c1cnc(COc2ccccc2)s1 2325842912 MVKRADKNCBWQGD-UHFFFAOYSA-N 342.464 4.342 0 50 EIAA O=C1C[C@@H](c2cccs2)Sc2nc(-c3ccc(F)cc3)nn21 79116 NSEIZGBKDCHFOQ-LBPRGKRZSA-N 331.397 4.023 0 50 EIAA O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 240439 XTEAQMVXFXGGEL-UHFFFAOYSA-N 330.383 4.245 0 50 EIAA Cc1ccc(OCC(=O)Nc2cccc(C)c2C)c(Br)c1 299483 OAFRUYHLVOTGRW-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA Cc1ccc(CNC(=O)CSc2nc3ccccc3s2)cc1 467993 POVBEAWAZAZMLG-UHFFFAOYSA-N 328.462 4.013 0 50 EIAA Oc1c(Cl)cc(NC(=S)NCCc2ccccc2)cc1Cl 618737 OCRLUDFGFBKKRO-UHFFFAOYSA-N 341.263 4.228 0 50 EIAA CCCC[C@H](CC)[C@H]1NC(=O)N(SC(Cl)(Cl)Cl)C1=O 1759675 VOGJJBHRUDVEFM-JGVFFNPUSA-N 347.695 4.099 0 50 EIAA in-man CC(=O)N(c1ccccc1)C1CCN([C@@H](C)Cc2ccccc2)CC1 1850111 OKTLVZBUKMRPLL-SFHVURJKSA-N 336.479 4.135 0 50 EIAA in-man Cc1cccc(NC(=O)c2ccn(COc3ccccc3Cl)n2)c1 2796604 HIFUOMGPLWBASS-UHFFFAOYSA-N 341.798 4.134 0 50 EIAA Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1 2830655 MFHPMHVCVVXQHH-UHFFFAOYSA-N 330.387 4.500 0 50 EIAA CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 2984938 SUPMJEGGFJAYGU-UHFFFAOYSA-N 348.855 4.256 0 50 EIAA CSc1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062836 OPGFJYHWILXEKA-UHFFFAOYSA-N 340.492 4.259 0 50 EIAA CC(C)[C@H](O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CCO2 14886284 KAPYUUODZIYLOK-FQEVSTJZSA-N 345.870 4.424 0 50 EIAA Cc1cc(C)c(NC(=O)[C@H](C)NC2C3CC4CC(C3)CC2C4)c(C)c1 16663589 RJKNNLUENODBCD-SILNRBPBSA-N 340.511 4.353 0 50 EIAA COc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 23118545 ACUGVCFDRQSABW-UHFFFAOYSA-N 333.391 4.011 0 50 EIAA CC(C)(C)OC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1 25265575 QACNVACLKUBTGY-UHFFFAOYSA-N 341.407 4.068 0 50 EIAA CC(C)c1noc([C@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)n1 72139109 NMZJHJLNJAAZJB-ZDUSSCGKSA-N 348.410 4.076 0 50 EIAA Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CC(F)(F)F)c1ccccn1 155881628 AYEXYMFQEGNOHR-NWDGAFQWSA-N 340.370 4.151 0 50 EIAA CC1(C)C[C@@H](NC(=O)N2CC3(CCCC3)c3c(F)cccc32)CCO1 161819152 CCTOHHPSZXEHKX-AWEZNQCLSA-N 346.446 4.125 0 50 EIAA Cc1ncc(C(=O)Nc2ccc3cccc(Cl)c3n2)c(C2CC2)n1 241132895 JMYGMVQVRSTDLH-UHFFFAOYSA-N 338.798 4.116 0 50 EIAA CCCOCC(=O)N(C)[C@H](c1csc2ccccc12)[C@@H]1C[C@H]1C 252670354 KHWLVDVPGVNPRD-MUKKUYKPSA-N 331.481 4.483 0 50 EIAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@H]2c2csc(C)n2)o1 253433207 UADZOYVIEAXKTJ-PXAZEXFGSA-N 347.484 4.221 0 50 EIAA CSc1cccc(C)c1NC(=O)N[C@@H]1CCCC12CCOCC2 374375624 SLNOCUMFHNDKLX-OAHLLOKOSA-N 334.485 4.188 0 50 EIAA O=C(c1cccc(-c2ccccc2CO)c1)N1C[C@H]2CCC[C@H](C2)C1 426584707 NBNJWCYTCGGDSV-CALCHBBNSA-N 335.447 4.108 0 50 EIAA COc1cccc2ccc(NCCOc3cccc4cccnc34)nc12 1529091739 PPUPNYFGZFQGAI-UHFFFAOYSA-N 345.402 4.283 0 50 EIAA Cc1c(Cl)cccc1N1COc2ccc3c(C)cc(=O)oc3c2C1 140963 WESXTQQCVXIQMX-UHFFFAOYSA-N 341.794 4.420 0 50 EIAA biogenic CCOC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 190881 DWBJTMILCRPGBU-UHFFFAOYSA-N 338.407 4.036 0 50 EIAA COC(=O)[C@H](C)N(C(=O)c1cccc(Cl)c1)c1c(C)cccc1C 297143 JZQRVFXZHUSDFR-AWEZNQCLSA-N 345.826 4.165 0 50 EIAA O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 464352 AVQPSMBUPKXNHL-UHFFFAOYSA-N 333.416 4.473 0 50 EIAA COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(OC)c1 464377 ZULKRJYRTVIIOE-UHFFFAOYSA-N 325.408 4.154 0 50 EIAA COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 527901 MEUXVMNOWUHXPO-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA Cc1ccc(-n2ncc3c(NCCCc4ccccc4)ncnc32)cc1 4354893 XTEARZCLGHZRRY-UHFFFAOYSA-N 343.434 4.169 0 50 EIAA Cc1ccnc(NC(=O)Nc2ccc(Br)cc2Cl)c1 6715620 ALGMWJWTYDUDRY-UHFFFAOYSA-N 340.608 4.450 0 50 EIAA COC(=O)c1cc(-c2ccc(C)cc2)nc2cc(-c3ccccc3)nn12 13645491 COJFDMSINMAWPZ-UHFFFAOYSA-N 343.386 4.158 0 50 EIAA c1cnc(Oc2cccc(CNCCc3c[nH]c4ccccc34)c2)nc1 13722594 GJFJVCYOFLSAJN-UHFFFAOYSA-N 344.418 4.083 0 50 EIAA CCN(Cc1ccncc1)[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 22926600 MQMJHJBSJFAGNI-NRFANRHFSA-N 348.494 4.049 0 50 EIAA CCOc1ccccc1CN1CCN(c2cccc(Cl)c2)CC1 55543725 QMYBWNVWGOXABR-UHFFFAOYSA-N 330.859 4.061 0 50 EIAA O=C(Nc1cnc2n1CCCC2)c1ccccc1OCc1ccccc1 67713419 DJPFGYWQOSINCS-UHFFFAOYSA-N 347.418 4.051 0 50 EIAA CCCn1cc(C2=CCN(CCc3c[nH]c4ccccc34)CC2)cn1 67847821 PRBHFDIICDZSII-UHFFFAOYSA-N 334.467 4.106 0 50 EIAA CCOC(=O)c1csc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1 69476304 GRHIIEZROYYMPD-UHFFFAOYSA-N 348.424 4.334 0 50 EIAA CSc1ccccc1CN1CCCN(Cc2cccs2)CC1 72158314 OSRJIESBLWMKBU-UHFFFAOYSA-N 332.538 4.178 0 50 EIAA CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 77524150 KCWONDWZICQTPW-LJQANCHMSA-N 325.383 4.396 0 50 EIAA O=C(c1c[nH]nc1C1CCCCC1)N1CCCC[C@H]1c1cccnc1 97729704 FRETZZJSOMQVBK-SFHVURJKSA-N 338.455 4.220 0 50 EIAA CC(C)c1nc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cs1 164503126 PLIHVRSUWLYXMP-ZBFHGGJFSA-N 348.512 4.411 0 50 EIAA O=C(c1cnc(-c2ccccn2)s1)N1CCC(c2ccccc2)CC1 171417456 VUBMJZSQNGFQFS-UHFFFAOYSA-N 349.459 4.225 0 50 EIAA C[C@H]1CN(C(=O)Nc2nccn2-c2ccccc2)[C@@H]1c1ccccc1 252496621 PNBTVGLPNMMFJB-YJBOKZPZSA-N 332.407 4.097 0 50 EIAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccc(Cl)c2)CC1 255187890 HJXTYXBRUADTPA-WKILWMFISA-N 338.879 4.266 0 50 EIAA COc1ccccc1-c1ncc(CN(C)CCC[C@@H]2CCCO2)s1 299776623 AWMBEHFKQHHYBC-OAHLLOKOSA-N 346.496 4.210 0 50 EIAA CN(C(=O)c1ccc(-c2nccn2C)cc1)[C@@H]1CCCc2ccccc21 426471350 KZOUKVQMLGNPFP-HXUWFJFHSA-N 345.446 4.237 0 50 EIAA Cc1cc(-c2ccc(C(=O)N(C)C[C@@H]3CCCCN3C)cc2)cs1 534585907 ZUWGRYAEOREWEQ-IBGZPJMESA-N 342.508 4.280 0 50 EIAA C[C@]1(C(=O)Nc2ccccc2OCCCc2ccccc2)CCCO1 827660305 VBNNZEIRHMJYEW-OAQYLSRUSA-N 339.435 4.206 0 50 EIAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)c1cccn1C1CC1 952965909 BBMXROQJHSSZER-UHFFFAOYSA-N 346.434 4.224 0 50 EIAA Cc1nc(-c2cccc(NCc3c(Cl)c(C)nn3C)c2)[nH]c1C 1875284031 KTWXUKSIFJQOTH-UHFFFAOYSA-N 329.835 4.001 0 50 EIAA COc1ccc2nc(SCC3([C@H]4CCCCO4)CC3)sc2n1 1875408005 MHEIBJIBSJVUEP-GFCCVEGCSA-N 336.482 4.141 0 50 EIAA O=C1[C@H]2CCCCC[C@H]2C(=O)N1Cc1ccc(C2CCCC2)cc1 2325864308 LXPGUYIKXPBWLL-KDURUIRLSA-N 325.452 4.410 0 50 EIAA COc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1 116551 ZSGGYSRELRCCEY-UHFFFAOYSA-N 333.387 4.380 0 50 EIAA CC[C@@H](C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 206253 ICKUJBPPTAGAHH-SNVBAGLBSA-N 349.228 4.316 0 50 EIAA CCn1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1243859 ZNRALKLTPOTARD-UHFFFAOYSA-N 326.465 4.351 0 50 EIAA C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 3907671 DREHREGIKWPENN-LBPRGKRZSA-N 326.783 4.486 0 50 EIAA Cc1ccc([C@](O)(c2ccccc2)c2nc3ccccc3n2C)cc1 4115299 YNVSRVMOTYBHLD-JOCHJYFZSA-N 328.415 4.166 0 50 EIAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 6701959 GMEDZMQPPJDJKA-NSHDSACASA-N 348.855 4.418 0 50 EIAA CCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CC)cc1 12138498 ODRUVQJCOWZXMP-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2csc(C(C)C)c2)CC1 16605819 GTIIPVDWFGTSEJ-UHFFFAOYSA-N 328.481 4.142 0 50 EIAA COc1ccc(CNc2ccc(-c3ccc(Cl)cc3)nn2)cc1 20738297 FNHISTBLBITPCR-UHFFFAOYSA-N 325.799 4.418 0 50 EIAA CC1=NN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C(=O)C1 22147935 XIXNAAQUBOACNG-UHFFFAOYSA-N 326.208 4.230 0 50 EIAA CCCCC[C@H](O)/C=C/C=C\C=C\[C@H](O)C/C=C\CCCC(=O)O 28631806 NNPWRKSGORGTIM-XNEMHUIFSA-N 336.472 4.158 0 50 EIAA endogenous,in-man O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(Cl)c1 44900835 DNVAEJJNFQADCA-MRXNPFEDSA-N 341.798 4.320 0 50 EIAA Cc1cc(C)c(C(=O)NCC2=CCCN([C@@H]3C=CCCC3)C2)c(C)c1 65528277 BFPYUYKPNQRRAZ-HXUWFJFHSA-N 338.495 4.082 0 50 EIAA O=C1C[C@H](c2cc(Cl)ccc2F)c2cnn(C3CCCC3)c2N1 72117256 KJXNFXJLKDAMOY-GFCCVEGCSA-N 333.794 4.265 0 50 EIAA FC(F)(F)c1cccc(OC2CCN(Cc3ccccn3)CC2)c1 72435695 RSFMJQAOUXCDTP-UHFFFAOYSA-N 336.357 4.144 0 50 EIAA CC(C)N1CC[C@@H](Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)C1=O 170650928 JRBOIWIRAPCMQT-LSTHTHJFSA-N 344.499 4.203 0 50 EIAA Cc1cc(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)c(C)s1 177794896 CUPDWPQZTVQBHL-NSHDSACASA-N 331.416 4.405 0 50 EIAA C[C@@H](NC(=O)c1ccncc1C(F)(F)F)c1cccc(Cl)c1 192132769 IOLUALYZSWVSSB-SECBINFHSA-N 328.721 4.245 0 50 EIAA COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 239235782 WSCCZHJZVDZUSC-LYNWBYMPSA-N 344.451 4.164 0 50 EIAA O=C(O)c1ccccc1C1CCN([C@@H]2CCc3ccc(F)cc32)CC1 363859247 VVWHNUFTAZVQGG-HXUWFJFHSA-N 339.410 4.391 0 50 EIAA CCCN(Cc1ccc(Cl)cc1)c1cc([C@@H]2CCOC2)nc(C)n1 426370522 MREZCWRAOSHMSE-MRXNPFEDSA-N 345.874 4.359 0 50 EIAA O=C(O)c1cccnc1CN1CCCCC[C@H]1/C=C/c1ccccc1 652440611 KTRKAHQCMBLIDK-HHNLSAEISA-N 336.435 4.238 0 50 EIAA CCCc1nc(C)c(CNC(=O)[C@]2(c3cccs3)CC2(C)C)s1 823015166 IZMWNRZZJVDUHC-GOSISDBHSA-N 348.537 4.450 0 50 EIAA Cc1cc(F)ccc1-c1ccc(CN2CCC[C@H](CCC(=O)O)C2)o1 901551621 HOOUVGKFZGJBOA-OAHLLOKOSA-N 345.414 4.471 0 50 EIAA C[C@H](NCc1nc2c(s1)C(C)(C)CC(C)(C)C2)c1csnn1 930726324 NEMHAFKYOGISIM-JTQLQIEISA-N 336.530 4.095 0 50 EIAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccccc3C(F)(F)F)C[C@H]2C1 1704356098 AMQHFDPQYFSCOG-WNKDZCFJSA-N 340.433 4.256 0 50 EIAA CN(C(=O)c1cc2c(F)ccc(F)c2[nH]1)[C@@H]1CCc2ccccc21 1875259204 QCKWASIBRMEQRD-QGZVFWFLSA-N 326.346 4.206 0 50 EIAA CC1(c2cc(C(=O)N[C@@H]3CC[C@H](c4cccc(Cl)c4)C3)[nH]n2)CC1 2325840349 YUIKHEAMKJNYSK-DZGCQCFKSA-N 343.858 4.181 0 50 EIAA CC(C)NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 229232 FAAHRKMCNMRQFH-UHFFFAOYSA-N 348.493 4.079 0 50 EIAA COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 240547 MCXUFPCWIDDJTB-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 1075342 MRGZXRNEUSQGPR-UHFFFAOYSA-N 344.414 4.211 0 50 EIAA COc1ccc(N(C(=O)c2ccccc2)C2=C[C@H]3CC[C@@H](C2)N3C)cc1 1198898 HVSYUYPUZPNNHK-MOPGFXCFSA-N 348.446 4.092 0 50 EIAA CC(C)(C)OC(=O)C(CC(=O)O)=C(c1ccccc1)c1ccccc1 1729249 PAJXKDRQUOFPQI-UHFFFAOYSA-N 338.403 4.305 0 50 EIAA COc1ccc(Nc2cccc(CNC(=O)OC(C)(C)C)c2)cc1 2527461 LYVLWSFASSRLJT-UHFFFAOYSA-N 328.412 4.464 0 50 EIAA CCOc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2c1 2673971 CKNIVDZRJBNYOA-UHFFFAOYSA-N 340.375 4.184 0 50 EIAA biogenic O=C(Nc1cnc2ccccc2c1)c1cc(Br)ccc1F 4542568 QTVIKTSWHBNEHX-UHFFFAOYSA-N 345.171 4.389 0 50 EIAA O=c1[nH]c(Cc2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 5092343 LSICPSYRFDXPGD-UHFFFAOYSA-N 342.442 4.396 0 50 EIAA CCCOc1ccc(NC(=O)c2ccccc2Br)cc1 6697083 DNEOYEXCNSQMFU-UHFFFAOYSA-N 334.213 4.490 0 50 EIAA Cc1ccnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 8656728 WNRJDGCTDMYXTL-UHFFFAOYSA-N 339.222 4.495 0 50 EIAA CC(C)[C@H](O)c1ccc2c(c1)CN(Cc1cccc(Cl)c1)CCO2 12036813 WAHVLVAFCDDGFH-FQEVSTJZSA-N 345.870 4.424 0 50 EIAA Cn1cc(CNCc2ccc(Cl)s2)c(-c2ccccc2F)n1 12073999 MUSFXADPBAORAC-UHFFFAOYSA-N 335.835 4.231 0 50 EIAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 12093248 OQQWONCZNROSFY-CYBMUJFWSA-N 347.867 4.445 0 50 EIAA COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)C(C)C)on2)cc1 12120243 MJQMHTDBZOUNQK-GOSISDBHSA-N 342.439 4.450 0 50 EIAA CCOc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 13326315 JBZJZKZJVRHCEP-UHFFFAOYSA-N 335.787 4.008 0 50 EIAA CCCn1nc(C)c2c(C(F)F)cc(-c3cnn(CC)c3C)nc21 20615959 ZCDLTMQWUFLTRF-UHFFFAOYSA-N 333.386 4.279 0 50 EIAA C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 26183959 LKAJKIOFIWVMDJ-RJOVDCOGSA-N 328.500 4.118 0 50 EIAA O=C(C1=Cc2ccccc2OC=C1)N1CC[C@@H](c2ccccc2F)C1 82099804 YYJJMXOXYMHDHI-QGZVFWFLSA-N 335.378 4.131 0 50 EIAA CN(Cc1ccc2ccccc2n1)C(=O)C[C@@H]1CCc2ccccc21 91460554 HWNONUUXVXNCRE-SFHVURJKSA-N 330.431 4.313 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(-c2cn[nH]c2)c1 96153499 OQHJOQWVEPEWDT-FQEVSTJZSA-N 331.419 4.362 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCO[C@H](c2cccs2)C1 132983414 UQDDMFZCLIXVTK-ZDUSSCGKSA-N 336.844 4.315 0 50 EIAA CN(Cc1csc(COc2ccc(F)cc2)n1)c1cccc(O)c1 170639743 PGSBUNTXOPNXRT-UHFFFAOYSA-N 344.411 4.203 0 50 EIAA CC(=O)c1cc(CN2CCC(OCc3ccccc3)CC2)cs1 215123604 IYABFDUYPLQIQG-UHFFFAOYSA-N 329.465 4.132 0 50 EIAA C[C@H]1C[C@@H](C)n2nccc2N1C(=O)C[C@H](C)CCc1ccccc1 222050107 LDCOVOLPMKTGPD-IXDOHACOSA-N 325.456 4.228 0 50 EIAA O=c1[nH]c2c(s1)[C@H](c1ccc(F)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 239433024 XCRBMTDUYFRNSW-IKOPJOCTSA-N 333.453 4.228 0 50 EIAA COc1cc(CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)ccc1OC(F)F 252444291 SWRBZYJWFWQSBW-DGADGQDISA-N 337.410 4.211 0 50 EIAA CC(C)c1[nH]ccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 287134485 QJYYZEMUEVLKQM-UHFFFAOYSA-N 342.414 4.012 0 50 EIAA CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)[nH]1 331550372 INHRXWXTKHSLGF-LJQANCHMSA-N 338.451 4.492 0 50 EIAA C[C@@H](NC(=O)N1CC(c2ccncc2)C1)c1ccc(C(C)(C)C)cc1 426526524 WLZLYJHCDZOIJR-OAHLLOKOSA-N 337.467 4.249 0 50 EIAA O=C(c1occc1-c1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 684992034 PKOZVPCVHXKQJP-OTWHNJEPSA-N 339.435 4.102 0 50 EIAA CCc1nccn1CCCn1ccnc1-c1c(C)ccc2ncccc12 1857695158 WZCLWZXULUFAPU-UHFFFAOYSA-N 345.450 4.256 0 50 EIAA CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc(C)c1C 350448 SBOUOFAIJSZIEJ-BQYQJAHWSA-N 335.450 4.255 0 50 EIAA Cc1ccc(C(=O)COC(=O)c2cc(C)nc3c(C)cccc23)cc1 453193 DRDXWWXIRUYHOE-UHFFFAOYSA-N 333.387 4.200 0 50 EIAA CC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccccc3)c2)cc1 459295 RVOALKYQPMFCTB-UHFFFAOYSA-N 332.355 4.498 0 50 EIAA O=C(COc1ccccc1Cl)NCc1ccc(Cl)cc1Cl 620136 JXVFDHIKSIULSC-UHFFFAOYSA-N 344.625 4.342 0 50 EIAA C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 620414 TWERYHRCEGDWKB-MLGOLLRUSA-N 347.336 4.389 0 50 EIAA O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1 800707 MPGORUGZBCWFRF-UHFFFAOYSA-N 343.766 4.264 0 50 EIAA CCOc1ccc(OCCCCOc2ccc(C=O)cc2OC)cc1 2985175 QTDDHAHGNRVSRE-UHFFFAOYSA-N 344.407 4.144 0 50 EIAA Cc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2)CCCC1 4644947 XWOIWWPCKYYZLS-UHFFFAOYSA-N 333.439 4.161 0 50 EIAA C[C@@H](NC[C@H](O)COc1ccccc1C(C)(C)C)c1ccccc1 5073882 QCDAHAHOFXFTEW-AEFFLSMTSA-N 327.468 4.075 0 50 EIAA CCCCC(=O)N[C@@H](OCc1ccccc1)C(Cl)(Cl)Cl 5792193 AKDBCPQVXIODDD-ZDUSSCGKSA-N 338.662 4.206 0 50 EIAA CC(C)(C)[C@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 11767732 KROZMULMDKWIFM-HXUWFJFHSA-N 336.483 4.400 0 50 EIAA Clc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1 19537135 FWYSZDBPNKBROR-RMKNXTFCSA-N 326.871 4.171 0 50 EIAA CC(C)Oc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)c(F)c1 117637688 HNGRFNHBGOGKNZ-UHFFFAOYSA-N 339.370 4.051 0 50 EIAA Cc1noc(-c2ccccc2)c1NC(=O)Cc1ccc(F)c(F)c1 122670023 XXACHSNQDGZUOI-UHFFFAOYSA-N 328.318 4.109 0 50 EIAA Cc1noc(C2CC2)c1C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 129726773 AYCZMEDWKXDKBB-ZDUSSCGKSA-N 347.418 4.413 0 50 EIAA CC(C)(C)OC(=O)NCc1ccc(-c2cccc(C(=O)O)c2)cc1 167029527 TXWXKKRFLCNKIF-UHFFFAOYSA-N 327.380 4.077 0 50 EIAA O=C(N[C@@H]1CCCc2c(O)cccc21)[C@H]1C[C@@H]1c1ccccc1Cl 170611448 YEAYVLYAQSNVAZ-SOLBZPMBSA-N 341.838 4.343 0 50 EIAA O=C(Nc1nccc2ccncc12)c1ccc(Oc2cccnc2)cc1 170614293 DGISZSLSEQSQTB-UHFFFAOYSA-N 342.358 4.069 0 50 EIAA O=C(NC1(c2ccc(Cl)cc2)CC1)c1cc(Cl)c(Cl)[nH]1 170625939 WQQJMQMYNWBAHB-UHFFFAOYSA-N 329.614 4.394 0 50 EIAA O=C(Cc1cccc(Cl)c1Cl)N1CCCC[C@H]1c1ncc[nH]1 193956172 MAEMDFHVSZJUQP-ZDUSSCGKSA-N 338.238 4.013 0 50 EIAA Cc1cc([C@H](C)NC(=O)c2cnc(O)c3ccccc23)c(C)s1 242273552 YDQURILSMZKOBT-NSHDSACASA-N 326.421 4.110 0 50 EIAA COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(F)cc3F)[nH]c2c1 247952862 MPBBYQZCBZTZEP-VIFPVBQESA-N 348.374 4.213 0 50 EIAA Cc1cccnc1[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C1CC1 299759429 RHBOYYLKVHARFF-GOSISDBHSA-N 348.368 4.219 0 50 EIAA CC[C@@H]1CN(Cc2cccc3cccnc23)Cc2cc(OC)ccc2O1 299767054 BLOUNCBUOBHQQZ-LJQANCHMSA-N 348.446 4.417 0 50 EIAA Cc1cccc(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)c1ccnc(O)c1 664961262 HLQIEEGZOANFGP-DOTOQJQBSA-N 339.439 4.012 0 50 EIAA Cc1ccc(Cn2ncnc2[C@H]2CCCCN2Cc2ccccc2)cc1 670447505 GZSBXIZLJQMCMJ-OAQYLSRUSA-N 346.478 4.362 0 50 EIAA C[C@H](NCc1cnc(O)c2ccccc12)c1cc(C(C)(C)C)ccn1 2325777852 KCLKRUIHDPRCSI-AWEZNQCLSA-N 335.451 4.484 0 50 EIAA Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 2212 JOFWLTCLBGQGBO-UHFFFAOYSA-N 343.217 4.234 0 50 EIAA fda CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(Br)cc1 122834 IHTYUXMCBKVTBX-MRXNPFEDSA-N 345.240 4.426 0 50 EIAA C[C@H]1CCc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1 168718 XFCUATJBJJINJY-LBPRGKRZSA-N 333.790 4.226 0 50 EIAA CCOc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1 195078 UYDZBLMLDZOCQO-UHFFFAOYSA-N 342.402 4.395 0 50 EIAA C[C@@H](NC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 213915 DGWITJVKJIVNMH-QGZVFWFLSA-N 326.459 4.183 0 50 EIAA COc1ccc(OC)c(NC(=O)Oc2ccc(F)cc2Cl)c1 400293 CBSUVDXOQCQAIL-UHFFFAOYSA-N 325.723 4.107 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)cc1 453515 LBLPCPAJSAJUPR-BJMVGYQFSA-N 346.224 4.418 0 50 EIAA CCOc1ccc(OCc2ccc(C(=O)N(CC)CC)cc2)cc1 468118 FOUXDMSQCFELCX-UHFFFAOYSA-N 327.424 4.146 0 50 EIAA COc1cccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 527064 JEIACBXBTZPWOF-HNNXBMFYSA-N 349.434 4.146 0 50 EIAA CCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl 618011 QOQSWUUGTJDDSH-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA Cc1ccc(OCc2nc(-c3ccc(Br)o3)no2)cc1C 4686681 CFDNSWNTBVFRGF-UHFFFAOYSA-N 349.184 4.288 0 50 EIAA CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl 5442490 CHNUNORXWHYHNE-UHFFFAOYSA-N 345.226 4.217 0 50 EIAA biogenic,in-vitro CCCCc1ccc(NC(=O)c2nc(SC)ncc2Cl)cc1 6698073 CIWKRMMUVDETLX-UHFFFAOYSA-N 335.860 4.447 0 50 EIAA Clc1ccc(OCCCCn2ccnc2)c(Br)c1 16193056 ZLRKVOSYYQFLFU-UHFFFAOYSA-N 329.625 4.158 0 50 EIAA O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CNc1ccccc1 16671547 HMWNIZVJJYDNBZ-UVZCHINQSA-N 336.416 4.349 0 50 EIAA COc1ccccc1-c1cc2nc(C)cc(Nc3ccccc3)n2n1 21150504 OYCKXVFPZQKIJB-UHFFFAOYSA-N 330.391 4.457 0 50 EIAA O=C(O)c1cc(-c2ccc(F)cc2)nn1Cc1ccc(Cl)cc1 44672160 SKVGIQTXPXWRLN-UHFFFAOYSA-N 330.746 4.089 0 50 EIAA in-vitro Cc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 55292040 ICMAQZYBGVQXGD-UHFFFAOYSA-N 340.414 4.398 0 50 EIAA Cn1cc(C(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 71769942 YZDCGMSJMHFQAQ-UHFFFAOYSA-N 341.410 4.297 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCCC[C@@H]1CCn1ccnc1 72147118 ROUYCCWZLPFMQB-OAHLLOKOSA-N 346.862 4.322 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CCCc1cccs1 72438640 OLLHQMZECGIEMK-UHFFFAOYSA-N 340.448 4.384 0 50 EIAA Cc1cc(C(=O)N[C@H](c2ncccc2C)C2CC2)c2ccc(F)cc2n1 82097001 ZNMRETWZYWOOLW-FQEVSTJZSA-N 349.409 4.267 0 50 EIAA CC(=O)C[C@@H](c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O 100030917 DEKWZWCFHUABHE-HNNXBMFYSA-N 342.778 4.263 0 50 EIAA in-vitro Cc1ncsc1CN[C@H](C)c1cc(Br)ccc1F 170041270 PYVIUULKGROCNS-MRVPVSSYSA-N 329.238 4.204 0 50 EIAA COC(=O)c1cc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)oc1C 170593954 MYCAEKZZFUQCHT-LJQANCHMSA-N 327.424 4.329 0 50 EIAA COc1cccc2[nH]cc(CCN[C@H](CC(C)C)c3ccccn3)c12 181332544 WZTYRRQOMAPCGT-LJQANCHMSA-N 337.467 4.491 0 50 EIAA c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc(OCc2cscn2)c1 253369437 CREWLHZUAQZBJT-RCCFBDPRSA-N 342.464 4.092 0 50 EIAA Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)nc(Cl)c1F 261494913 SIBYUMMXBBAZBE-UHFFFAOYSA-N 326.080 4.312 0 50 EIAA Cc1cc(C)n(CCCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)n1 820996391 JQHYGMLLHRZFGJ-QGZVFWFLSA-N 341.499 4.153 0 50 EIAA O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)cc2ccoc12 828249595 JEPGWNKNHYWXNY-YJBOKZPZSA-N 339.366 4.080 0 50 EIAA Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 952991376 OOVFGCGVWDQRMW-CYBMUJFWSA-N 342.826 4.416 0 50 EIAA Fc1ccc(F)c(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1 1857690349 HXWKNZGBBBELON-KBXCAEBGSA-N 331.410 4.093 0 50 EIAA CCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)Nc1ccccc1-2 86181 KUUKELOXRFAZKV-OAHLLOKOSA-N 340.408 4.055 0 50 EIAA COC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc(C)c1C 248511 XPAIHVZJXGIPLH-UHFFFAOYSA-N 338.816 4.449 0 50 EIAA Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 387145 GHDOOYGJEYIRQF-INIZCTEOSA-N 329.465 4.225 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 457088 SHNSBNNFZLNQTC-UHFFFAOYSA-N 337.206 4.228 0 50 EIAA CC(C)NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 467270 YQLVADFPWMSRRH-UHFFFAOYSA-N 328.195 4.304 0 50 EIAA O=C(Nc1ccccc1-n1cccc1)c1ccccc1Br 608497 WBVQQQMJHWNGAS-UHFFFAOYSA-N 341.208 4.492 0 50 EIAA COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1Cl 612830 BWZAAGQHNKOWBO-UHFFFAOYSA-N 325.792 4.219 0 50 EIAA O=C1c2ccccc2C(=O)N1CC[C@H](c1ccc(F)cc1)c1ccco1 615542 ZCUIAOVCAOGBLQ-MRXNPFEDSA-N 349.361 4.237 0 50 EIAA COc1ccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc1Cl 2987656 JGONKTMEWOVUBE-UHFFFAOYSA-N 348.855 4.092 0 50 EIAA C[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN12 4853980 CYXHKFCPUQJJSD-ZBEGNZNMSA-N 343.224 4.339 0 50 EIAA CCCCOc1ccc2ccccc2c1/C=C1\SC(=N)NC1=O 4953013 NKDDVQQHTAAXCM-WJDWOHSUSA-N 326.421 4.157 0 50 EIAA c1ccc(OCc2noc(CN3CC[C@@H](C4CCCCC4)C3)n2)cc1 11934731 IFZYJCGFVUXDFS-QGZVFWFLSA-N 341.455 4.051 0 50 EIAA C[C@@H](Cc1cc(C(=O)N2CCOc3ccccc32)on1)c1ccccc1 12124377 MICCCVUXLKGBFE-HNNXBMFYSA-N 348.402 4.060 0 50 EIAA CO[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 12300477 QZKWQDXNBQDDJD-NRFANRHFSA-N 347.462 4.355 0 50 EIAA CCOC(=O)C[C@@H]1CCCCN1Cc1nc(-c2ccsc2)oc1C 12480286 PQOCOPRSWVNJBE-HNNXBMFYSA-N 348.468 4.019 0 50 EIAA Cc1ccnc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 13320495 MHESRTOUTGLTMC-UHFFFAOYSA-N 330.697 4.101 0 50 EIAA Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)c1C 17067327 XSAJPIQKIQFZSW-UHFFFAOYSA-N 328.462 4.215 0 50 EIAA Cc1ccccc1-c1ncc(-c2nccn2C2CCN(C)CC2)s1 71747847 UZWJVHOGIHRUOK-UHFFFAOYSA-N 338.480 4.249 0 50 EIAA CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 72115930 SUADHKATHDNEPQ-LBPRGKRZSA-N 337.345 4.131 0 50 EIAA CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)c1cccs1 91504130 BMQWNGNWQNZSIB-AWEZNQCLSA-N 341.436 4.028 0 50 EIAA C[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(-c2ncco2)c1 152171125 DGTYBDKAKAOHSU-AWEZNQCLSA-N 333.391 4.493 0 50 EIAA CCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(OC)c1 328599644 SRLZPKVDLKWONK-GOSISDBHSA-N 342.826 4.436 0 50 EIAA O=C([C@H]1CCC(F)(F)C1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 456719733 YXVMBKOUZKRPOC-WFASDCNBSA-N 333.382 4.052 0 50 EIAA Fc1ccc(Oc2ccc(NCc3cc4n(n3)CCCC4)nc2)cc1 846775540 PIVOEAHBRAAGPS-UHFFFAOYSA-N 338.386 4.158 0 50 EIAA CC(=O)N1CCC[C@H](CN[C@H](C)C[C@@H](C)SC2CCCCC2)C1 888096074 JJLFRFWQGVJMRM-JFIYKMOQSA-N 340.577 4.068 0 50 EIAA CCO[C@@H](CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)C1CC1 1191928620 MCTJMLLIUNBGAA-FQEVSTJZSA-N 328.431 4.211 0 50 EIAA N=c1[nH]nc(-c2ccc(Oc3ccc(Br)cc3)cc2)s1 1857800629 LRESJAINHPNIDI-UHFFFAOYSA-N 348.225 4.172 0 50 EIAA CC(C)(C)c1cnc(C(=O)N2CCC[C@H]2c2cc(F)ccc2F)o1 2325777488 GRNLNFGUGXCTOK-AWEZNQCLSA-N 334.366 4.228 0 50 EIAA CS(=O)(=O)c1ccc(Sc2cccc(Br)c2)cc1 2325901486 IDLYJKNRGWWZGG-UHFFFAOYSA-N 343.267 4.004 0 50 EIAA CCOC(=O)c1cc(C)sc1NC(=O)c1c(F)cccc1Cl 372096 GTOGUCXUHVYYJR-UHFFFAOYSA-N 341.791 4.278 0 50 EIAA CCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)c2ccccc12 608809 YSMKCYSJBHGLHK-UHFFFAOYSA-N 347.480 4.192 0 50 EIAA COc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1 2829009 UKQMACZBQJBLQG-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA CC(C)N(Cc1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F 2833302 DBZIFNDXKTXAOJ-UHFFFAOYSA-N 343.295 4.433 0 50 EIAA O=C1CS[C@@H](c2ccccc2)N1CC12CC3CC(CC(C3)C1)C2 4015953 YSCLQAMGKQCFAQ-BTCBHJBXSA-N 327.493 4.477 0 50 EIAA CSc1nsc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1 4488441 RNBPYJSLODTDQU-SSDOTTSWSA-N 345.902 4.033 0 50 EIAA Cc1cccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 4865772 NXAIZZUATCDXGV-UHFFFAOYSA-N 343.858 4.311 0 50 EIAA Cc1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12 5163774 HJKIUUIYDWPUEJ-UHFFFAOYSA-N 349.415 4.415 0 50 EIAA Fc1ccc(CSCc2nnc(S)n2-c2ccccc2F)cc1 6402775 JCOHREUMMSWVJN-UHFFFAOYSA-N 349.431 4.268 0 50 EIAA CSc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1 12073295 OYHPHFZZSGTCNT-QGZVFWFLSA-N 344.455 4.264 0 50 EIAA O=c1c2ccccc2nc(S)n1Cc1ccc(Cl)c(Cl)c1 17070829 HLBYRFMXYIEOGQ-UHFFFAOYSA-N 337.231 4.040 0 50 EIAA CCOC(=O)C(C)(C)[C@@](O)(CC)c1ccc2cc(OC)ccc2c1 38642988 BGPCDCAZLBBOTJ-HXUWFJFHSA-N 330.424 4.035 0 50 EIAA c1ccc(-c2ncn(Cc3cc(C4CC4)[nH]n3)c2-c2ccncc2)cc1 67850412 RBBSPRJYTXGMND-UHFFFAOYSA-N 341.418 4.261 0 50 EIAA CCC(CC)C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2F)c1C 91426657 OGMHQVXHEBBPOI-LLVKDONJSA-N 335.398 4.072 0 50 EIAA Cc1nc(C)c(C(=O)NC[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)o1 156616887 KLDKNKWNIQNGHI-MFKMUULPSA-N 339.222 4.132 0 50 EIAA Cc1ccccc1[C@H](O)CSc1nnc2sc3ccccc3n12 170003022 FBJQMBXFPHKFKC-CQSZACIVSA-N 341.461 4.078 0 50 EIAA Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3ccn(C)c3c2)s1 173806931 NTDQSFDPQWIRNF-LBPRGKRZSA-N 342.468 4.477 0 50 EIAA CCc1cccc(C)c1NC(=O)c1ccc(NC(=O)NC(C)C)cc1 177733270 ZYIOOBJPKYMFOG-UHFFFAOYSA-N 339.439 4.340 0 50 EIAA CSc1ccsc1C(=O)Nc1ccnn1-c1cccc(F)c1 183905113 HREOHCWWSCJWKS-UHFFFAOYSA-N 333.413 4.047 0 50 EIAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(C(F)F)c1 189420792 GXQSEXVIKFBLFL-OCCSQVGLSA-N 326.387 4.197 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C[C@@H](O)[C@@H]1[C@H]3CCC[C@@]3(C)CC[C@H]12 257346353 YQMXIAABFQDHTC-QZBQPBHFSA-N 334.500 4.322 0 50 EIAA CC(C)c1cc(N[C@H]2CCO[C@@H]2c2cccnc2)nc(C(C)C)n1 283078228 UBHBBGFWGQPAEI-MAUKXSAKSA-N 326.444 4.061 0 50 EIAA COc1ccc2oc([C@@H](C)NC(=O)c3ocnc3C3CC3)c(C)c2c1 289898084 YFUYKISTOWYPOA-LLVKDONJSA-N 340.379 4.106 0 50 EIAA CC(C)[C@@H]1N(C(=O)CCc2ncc(-c3ccccc3)o2)CC1(C)C 293890332 LCSIWBJFGVLOTG-IBGZPJMESA-N 326.440 4.167 0 50 EIAA O=C(Nc1ccccc1CN1CCCCC1)N1C[C@H]2CC=CC[C@H]2C1 299766989 GJBLSPQQPHOZTF-HDICACEKSA-N 339.483 4.102 0 50 EIAA C[C@@H]1C[C@H](NCC(C)(C)C2(O)CCOCC2)C[C@H](c2ccccc2)C1 417381913 NCYSIYOSSVQXAC-SXLOBPIMSA-N 345.527 4.116 0 50 EIAA CCCOc1ccc(NC(=O)N2CCC3(CCO3)CC2)cc1C(C)C 881195208 HIKGHZRBQRFUQC-UHFFFAOYSA-N 346.471 4.386 0 50 EIAA CCc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3)[C@H]2C)c(C(=O)OC)c1 1360290818 ARJTURZTYRBZID-UPRAQXHNSA-N 337.419 4.024 0 50 EIAA CCS(=O)(=O)c1ccc(-c2ccc(OC)c3nc(C)ccc23)s1 1506397955 ZNHHBPMLJSIIQS-UHFFFAOYSA-N 347.461 4.074 0 50 EIAA CCCn1nc(C)c(NC(=O)Cc2ccccc2C(F)(F)F)c1C 1529102187 ZXBFTRNMFVHVNL-UHFFFAOYSA-N 339.361 4.110 0 50 EIAA COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C 464197 CKMJNYFBHZQUPE-ZDUSSCGKSA-N 333.815 4.371 0 50 EIAA CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1 612305 PZBYRZJFJLQLEI-UHFFFAOYSA-N 336.750 4.300 0 50 EIAA CCCc1ccc(OCc2ccc(C(=O)Nc3cc(C)on3)o2)cc1 2764382 INEOJZNMWKQCIF-UHFFFAOYSA-N 340.379 4.360 0 50 EIAA CCOc1ccc([C@H](C)NC(=S)Nc2cccc(C(C)=O)c2)cc1 2857339 NDGDHTINJWGVGJ-ZDUSSCGKSA-N 342.464 4.336 0 50 EIAA Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(F)cc1F 3116623 JSDQNCFJXXRFCV-UHFFFAOYSA-N 332.331 4.011 0 50 EIAA CCOc1ccccc1C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 4820734 GTKSIGXKQCVQPC-UHFFFAOYSA-N 338.359 4.028 0 50 EIAA COc1cccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 4855354 YSNWOAFKKNKECU-UHFFFAOYSA-N 349.434 4.118 0 50 EIAA COC(=O)c1ccccc1NC(=S)Nc1ccc(C)c(Cl)c1 6390968 NBQMEXFWHNEPGO-UHFFFAOYSA-N 334.828 4.244 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 9229956 YOQNFMBUHKZVGG-HNNXBMFYSA-N 340.423 4.140 0 50 EIAA O=C(C[C@H](c1ccccc1)c1ccccc1F)NCCc1ccncc1 15069337 HUEJLLRMUBEBDE-HXUWFJFHSA-N 348.421 4.102 0 50 EIAA CC[C@H](C)[C@@H](c1nc(C(C)(C)C)no1)N1Cc2ccccc2C1=O 19794384 UHEVAIAAMLCHAK-WFASDCNBSA-N 327.428 4.110 0 50 EIAA O=C(CCC(F)(F)F)N1CCC[C@H](CCc2cccc(F)c2)C1 65408094 NKRVYYQHNDWJFY-CQSZACIVSA-N 331.353 4.339 0 50 EIAA Cc1cccc(C(C)(C)C)c1NC(=O)NCC[C@H]1CCCN(C)C1 67946373 XAJHSJSDPNZJFB-MRXNPFEDSA-N 331.504 4.146 0 50 EIAA CC(=O)C1(c2ccccc2)CCN(CCCC(=O)c2ccccc2)CC1 72146258 MVASMXXFJJXSOW-UHFFFAOYSA-N 349.474 4.272 0 50 EIAA CCNc1nc(C)cc(Nc2ccc(NC(=O)C3CCCC3)cc2)n1 72436838 NDQJWOJVDNWBJF-UHFFFAOYSA-N 339.443 4.089 0 50 EIAA CCn1nc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)cc1C 82087654 UJNSGJPIORESSB-UHFFFAOYSA-N 349.434 4.276 0 50 EIAA CC(=O)N1CCCN(Cc2nc3ccccc3s2)c2ccccc21 174866717 AKFUJWHUNPPMAC-UHFFFAOYSA-N 337.448 4.060 0 50 EIAA Brc1cnc(N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)nc1 225699651 WNKGCDAXVXWEFH-HZPDHXFCSA-N 342.240 4.064 0 50 EIAA Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc2cn(C(C)C)nc2c1 338965097 GSPSKYRHGKCBBK-GFCCVEGCSA-N 340.427 4.354 0 50 EIAA CN1CC[C@H](CN(C)C(=O)c2ccc(-c3ccc4occc4c3)cc2)C1 426684479 NASUYZWTZOFIRP-INIZCTEOSA-N 348.446 4.124 0 50 EIAA CC1(OCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)CCC1 773208571 OPVIKRRIWIGZKO-HXUWFJFHSA-N 338.403 4.113 0 50 EIAA Cc1ccc(CNC(=O)N[C@H](CC(C)(C)C)c2cccnc2)cc1 952963367 JSSJGWDYQGSDML-GOSISDBHSA-N 325.456 4.367 0 50 EIAA C[C@@H](NC(=O)Nc1ccc(Nc2ccccc2)cn1)c1ccccn1 1476893748 SLDQGTCXPPQRJM-CQSZACIVSA-N 333.395 4.103 0 50 EIAA O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(c2ccc(F)cc2)=NO1 1875346196 WOPPIVBYTNHLQY-IBGZPJMESA-N 334.350 4.111 0 50 EIAA O[C@H](CNCc1cccc2ccccc12)Cc1ccc(Cl)cc1 2325842452 ZECULSOOZGBHJK-IBGZPJMESA-N 325.839 4.186 0 50 EIAA Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 133531 AGMLPBPACSPWIL-UHFFFAOYSA-N 342.782 4.468 0 50 EIAA CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 155327 GXLZCXZLVDUDHP-NRFANRHFSA-N 332.399 4.227 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 190208 WPTIJAZOCYRSBW-UHFFFAOYSA-N 343.386 4.491 0 50 EIAA Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2)[C@@H]3CCC1 296548 GZXAOPQXHYOCQM-HXUWFJFHSA-N 330.431 4.483 0 50 EIAA biogenic COc1cccc(C(=O)NN2c3ccccc3CCc3ccccc32)c1 348149 DVHRTOBMYARQBH-UHFFFAOYSA-N 344.414 4.277 0 50 EIAA aggregator,biogenic CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 464559 GBYCBAODDJRZQZ-LBPRGKRZSA-N 346.814 4.013 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1ccccc1 6697834 MYHJMJUYCFAALS-UHFFFAOYSA-N 336.395 4.099 0 50 EIAA Cc1cccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccco2)CC3=O)c1 9935781 KJDRDEXIKQETMP-CQSZACIVSA-N 333.391 4.343 0 50 EIAA COc1ccc2c(c1)O[C@H](C)CN(Cc1ccc(SC)cc1)C2 11910185 QCRCNJJXQPNRJO-CQSZACIVSA-N 329.465 4.200 0 50 EIAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2ccsc2)c1C 12441265 HQBGWLXYULJONG-CYBMUJFWSA-N 325.437 4.042 0 50 EIAA Cn1nc(C(F)(F)F)c(C=O)c1Oc1ccccc1C(F)(F)F 32911289 KWNUXRYGYZTANR-UHFFFAOYSA-N 338.207 4.063 0 50 EIAA COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 35476528 TWVWDTFOIAVCSR-AWEZNQCLSA-N 348.399 4.043 0 50 EIAA CCCCCc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 53166180 XTHSRIZEUOKLDR-UHFFFAOYSA-N 342.424 4.178 0 50 EIAA CSCCc1c(-c2ccccc2)ncn1[C@@H](C)CCn1cccn1 63884011 MUHXHTDOCMRQRH-INIZCTEOSA-N 340.496 4.303 0 50 EIAA CC[C@H](C)N(C(=O)c1cccc(Oc2ncccn2)c1)C1CCCC1 65404830 OPVFUEWLAVZWON-HNNXBMFYSA-N 339.439 4.452 0 50 EIAA COc1ccc(CN2CCC(c3cc(C(C)C)[nH]n3)CC2)c(F)c1F 67773829 ZXFQJVCHGXRESR-UHFFFAOYSA-N 349.425 4.200 0 50 EIAA CC(C)c1nc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)no1 71760922 RYUDOIZZIAGQDW-ZDUSSCGKSA-N 342.226 4.078 0 50 EIAA CC(C)c1noc([C@H]2CCCN2C(=O)c2csc3c2CCCC3)n1 82157236 VJYLFZHGNKYIDP-CQSZACIVSA-N 345.468 4.111 0 50 EIAA CCCOc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1Cl 95525052 IOGFIAYAOGQHHJ-UHFFFAOYSA-N 345.830 4.155 0 50 EIAA c1cc(C2CCN(Cc3ccc([C@@H]4CCCCO4)s3)CC2)n[nH]1 97674425 YKHGZAFNRWAOPH-KRWDZBQOSA-N 331.485 4.092 0 50 EIAA CC(C)(C)OC(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 157037156 YMPQYHHQZWJTAU-UHFFFAOYSA-N 336.432 4.101 0 50 EIAA CC(C)(C)[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ncccc23)CC1 170602379 XJMHAIDAVBQWPT-CVEARBPZSA-N 327.472 4.217 0 50 EIAA COc1ccc(-c2noc(-c3sc(C4CCCC4)nc3C)n2)cn1 174841008 LIYLFXJTDFQPLC-UHFFFAOYSA-N 342.424 4.230 0 50 EIAA CC(C)(C)c1noc(Cn2c(SC(F)F)nc3ccccc32)n1 225556263 WLXWYICYTIEDHL-UHFFFAOYSA-N 338.383 4.080 0 50 EIAA Clc1ccc(-c2noc(CN3CC[C@H]4CCCC[C@H]4C3)n2)cc1 253388653 BSYRCJUYJNQRAO-HIFRSBDPSA-N 331.847 4.402 0 50 EIAA O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@@H]1c1cccs1 264391412 SOIBBQMFGYQUJV-CYBMUJFWSA-N 344.461 4.371 0 50 EIAA CC[C@@H]1CN(Cc2ccc(COC)o2)Cc2ccc(Cl)cc2O1 299782310 VOWJXGJHBAVFAI-OAHLLOKOSA-N 335.831 4.253 0 50 EIAA N=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C1CCC(c2ccccc2)CC1 329898682 DZAKGGAREIHIRI-GXZRBYELSA-N 340.467 4.123 0 50 EIAA CCC[C@H]1COCCN1C(=O)c1ccc(-c2cc(C)ccc2O)cc1 426574891 KUNKRLBUSIBCNK-SFHVURJKSA-N 339.435 4.009 0 50 EIAA O=C([C@H]1CCC(F)(F)C1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 456719730 YXVMBKOUZKRPOC-SWLSCSKDSA-N 333.382 4.052 0 50 EIAA CN(Cc1ncc(-c2ccccc2)s1)c1cccc(CC(=O)O)c1 1777081569 FGIYGTPZHFESPJ-UHFFFAOYSA-N 338.432 4.074 0 50 EIAA COC(=O)c1ccc2ncnc(N[C@H](C)[C@@H]3CCCC[C@@H]3C)c2c1 2325839925 JOZFKGSESNACKP-GZBFAFLISA-N 327.428 4.043 0 50 EIAA O=C(C[C@@H](c1ccccc1)c1ccccc1O)NCCc1ccccc1 553857 DRUUMMCXHFJBBY-NRFANRHFSA-N 345.442 4.273 0 50 EIAA COc1ccc(CC(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1 1898866 PQQDNUUDXLYLJD-UHFFFAOYSA-N 337.419 4.451 0 50 EIAA COc1cccc(OC)c1OCCOc1cc(Cl)ccc1Cl 2985010 VNJMUXJIAWUWSL-UHFFFAOYSA-N 343.206 4.468 0 50 EIAA Cc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl 4725426 UFLSQQNLPQZDMF-UHFFFAOYSA-N 333.859 4.112 0 50 EIAA Fc1ccc(-n2c(S)nnc2CSCc2ccccc2)c(F)c1 17072574 QVNSLPLLNKHSEM-UHFFFAOYSA-N 349.431 4.268 0 50 EIAA CC(C)c1ccc(NCc2cccnc2N(C)Cc2ccccc2)nn1 67458466 PGAGLGNUIBQURF-UHFFFAOYSA-N 347.466 4.244 0 50 EIAA Cc1ccc(Oc2ncccc2CNC(=O)C(C)(C)C)c(F)c1F 67490751 VNGOCBFTTFFGLS-UHFFFAOYSA-N 334.366 4.123 0 50 EIAA CC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72475234 HOQIQFWQMWRXEH-IBGZPJMESA-N 340.467 4.008 0 50 EIAA CC(C)Cn1nccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 76937549 KTRRWTBFNOMKHT-OAHLLOKOSA-N 330.432 4.281 0 50 EIAA c1coc(-c2nnc(CN3CCCC[C@H]3CCc3cccs3)o2)c1 77525170 XRDFAIREEISZTI-AWEZNQCLSA-N 343.452 4.378 0 50 EIAA Cc1cn2cc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)ccc2n1 82115539 HKUOVMWJAIPQFM-GOSISDBHSA-N 337.398 4.149 0 50 EIAA O=C(C[C@H]1C=CCC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 115258349 OTWZTYGXHUDJRC-UPCLLVRISA-N 339.460 4.289 0 50 EIAA CCc1nc(NC[C@@H](O)c2ccccc2Cl)c2ccsc2n1 170590965 FFYHGFZGYUCZAA-CYBMUJFWSA-N 333.844 4.053 0 50 EIAA O=C(NCCc1ccccc1C(F)(F)F)[C@@H]1CCc2ccccc21 216009788 DCEDPGBTMWGGOV-MRXNPFEDSA-N 333.353 4.094 0 50 EIAA c1ccc(Cn2cc(CNCc3cccnc3)c3ccccc32)cc1 248153445 YLGCMAYYQRAEDB-UHFFFAOYSA-N 327.431 4.374 0 50 EIAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 248638186 WBGXCVFYIOPODM-JLSDUUJJSA-N 331.415 4.205 0 50 EIAA CSCc1ccc(-c2ccc([C@H](C)N3CCOCC3)cc2)nc1 426658501 QNBPNVWXXZIGMJ-HNNXBMFYSA-N 328.481 4.005 0 50 EIAA O=C(N[C@@H](c1cccs1)C1CC1)c1cccc2nc(C(F)F)[nH]c12 929705647 XTNSODKTSUEJQC-CYBMUJFWSA-N 347.390 4.443 0 50 EIAA CSc1ccc2c(C)cc(NCCc3nnc(C)s3)nc2c1 1704300573 XMUCGGPCCNQITH-UHFFFAOYSA-N 330.482 4.080 0 50 EIAA COc1ccc([C@H]2CCN(C(=O)N3CCCC3(C)C)[C@@H]2C)cc1F 1875358214 NGWMWJHUYRPJQX-HIFRSBDPSA-N 334.435 4.007 0 50 EIAA OCC1(NCc2ccc(Oc3ccccc3)cc2)Cc2ccccc2C1 2325731996 ZVGQAJGNDYDRKJ-UHFFFAOYSA-N 345.442 4.098 0 50 EIAA Cc1nocc1[C@H](C)NCCn1ccc2c(Br)cccc21 2325777858 KIGPRKWWGQNZIX-NSHDSACASA-N 348.244 4.051 0 50 EIAA CC1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccco2)CC1 384371 GTHRCZIMXMLUSY-UHFFFAOYSA-N 346.814 4.057 0 50 EIAA c1ccc([C@@H](CCNCc2ccc3c(c2)OCO3)c2ccco2)cc1 1788853 BTMQQUHOGLPASQ-GOSISDBHSA-N 335.403 4.320 0 50 EIAA biogenic CC(=O)Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1 2124321 QCUVQIIXCUQKKF-UHFFFAOYSA-N 331.441 4.123 0 50 EIAA Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccco1)C3 2350540 HEYHTKDNMRRVIW-HNNXBMFYSA-N 343.386 4.210 0 50 EIAA CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1 2592963 YYYAVCKEQQNXIB-UHFFFAOYSA-N 337.895 4.001 0 50 EIAA CC(C)CC(=O)N[C@H](OCc1ccccc1)C(Cl)(Cl)Cl 3012405 JRDNFZLAYGKQNE-CYBMUJFWSA-N 338.662 4.062 0 50 EIAA Cc1cccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)c1 5185864 HQZLIPRGTJEPPF-UHFFFAOYSA-N 344.418 4.011 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)C[C@@H]2C)cc1 6715614 DBJQRWJKQKBEMW-HNNXBMFYSA-N 343.858 4.391 0 50 EIAA CSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 10542989 JYJJLXGCZULRFQ-HNNXBMFYSA-N 327.449 4.441 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](Nc2ccccc2)C1 11938226 OOSYXCRTMIFMGB-GOSISDBHSA-N 347.418 4.058 0 50 EIAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C1CCC1 12572778 WNYBJMMGFBMSMT-QGZVFWFLSA-N 337.467 4.111 0 50 EIAA CC(C)c1nc2cc(C(=O)N(C)Cc3ccc(F)cc3)ccc2o1 12718999 HPULYTVTKILPLE-UHFFFAOYSA-N 326.371 4.363 0 50 EIAA O=C(N[C@H]1CCCc2ccccc21)c1cc(CCc2ccccc2)no1 14984300 FXQRPTJEEZSOML-FQEVSTJZSA-N 346.430 4.267 0 50 EIAA COc1cc(OC)c(NC(=S)Nc2ccccc2F)cc1Cl 16281560 UYAJYUWNCUCPKO-UHFFFAOYSA-N 340.807 4.305 0 50 EIAA CCOC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 34800300 CAFYNMFIEFNYRA-UHFFFAOYSA-N 345.442 4.131 0 50 EIAA in-vitro CC/C=C\C/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\CCCC(=O)O 34961885 NXFSSCYFERVGJQ-UWXDDRKUSA-N 336.472 4.158 0 50 EIAA in-vitro Cc1c(NC(=O)C[C@@H](C)c2ccccc2F)cnn1-c1ccccc1 129187153 VGCQIJHMFLXPOL-CQSZACIVSA-N 337.398 4.452 0 50 EIAA O=C(Nc1ccc2sncc2c1)N1CC[C@@H](Cc2ccccc2)C1 190757243 LDFKURVWOCZTFE-HNNXBMFYSA-N 337.448 4.393 0 50 EIAA C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1 245237680 QLLGRFSREQQRPP-OLMNPRSZSA-N 334.891 4.172 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1csc(-c2ccsc2)n1 299742796 KLZJDTDTUOAAAF-CQDKDKBSSA-N 348.493 4.089 0 50 EIAA CC(=O)Nc1cccc([C@H](C)NCCCc2cncc3ccccc23)c1 408525539 UACCZXIMDGZUMR-INIZCTEOSA-N 347.462 4.477 0 50 EIAA C[C@H](O)c1cccc(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)n1 893873601 BJVAWFNYCGOGKR-ZDUSSCGKSA-N 339.414 4.139 0 50 EIAA COc1ccc(/C=C/CN2CCC([C@@H](O)c3cccs3)CC2)cc1 952980993 NAAKOSNVSHCTHJ-WLMDGNKMSA-N 343.492 4.216 0 50 EIAA Cc1ccc(-c2nccn2CCc2cnn(C)c2)c(Cl)c1Cl 1857732939 OFCYUXYXIFQPBH-UHFFFAOYSA-N 335.238 4.142 0 50 EIAA Cc1cc(OC(=O)C2CCCCC2)c2c3c(c(=O)oc2c1)CCC3 91063 YOGFXSHHZVBFJW-UHFFFAOYSA-N 326.392 4.076 0 50 EIAA CC1(C)[C@@H](C(=O)Nc2ccc3ccccc3c2)CC[C@@]1(C)C(=O)O 190246 CLINVXMMKYZOKG-UZLBHIALSA-N 325.408 4.305 0 50 EIAA CC1(C)C[C@H](C(=O)NCC[C@@H](c2ccccc2)c2ccco2)CCO1 215884 ARBAYEJQTAMILF-MSOLQXFVSA-N 341.451 4.123 0 50 EIAA biogenic CCc1cc(C(=O)Cc2csc(-c3ccccc3)n2)c(O)cc1O 238463 BVQQIUOKZIUFRA-UHFFFAOYSA-N 339.416 4.209 0 50 EIAA O=C(Nc1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 311669 AJLRIIQUYOPLKR-UHFFFAOYSA-N 349.409 4.333 0 50 EIAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 473774 BVFCTUBOCXXKFH-IBGZPJMESA-N 326.440 4.329 0 50 EIAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(F)cc1 1125612 YDOXYWRBLKBMSV-AWEZNQCLSA-N 329.415 4.207 0 50 EIAA Cc1cc(S[C@@H](C)C(=O)NCc2ccco2)nc2c(C)cccc12 4801459 XTZRQCURJMXQQR-AWEZNQCLSA-N 340.448 4.242 0 50 EIAA Cc1cc(C)c2oc(=O)cc(CN3CCC[C@H]3c3cc(C)no3)c2c1 65491894 KUQGQZLDZHBINS-KRWDZBQOSA-N 338.407 4.043 0 50 EIAA Cc1ccc2c(NC(=O)NCCCC[C@@H]3CCCO3)cccc2n1 96151472 BDRNADCLIQBDSM-OAHLLOKOSA-N 327.428 4.014 0 50 EIAA Cc1nc2cc(NC(=O)N3CC(C)(C)OC4(CCCC4)C3)ccc2o1 190106027 JBIFMZXMIUAOBT-UHFFFAOYSA-N 343.427 4.092 0 50 EIAA CC(C)Cc1nc2ccc(NC(=O)[C@@H](C(C)C)n3cccc3)cc2[nH]1 263588714 XPEFXQUQFKSTKT-LJQANCHMSA-N 338.455 4.399 0 50 EIAA COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccncc1 286477050 OEEBSQFDLZKZEW-RHSMWYFYSA-N 325.412 4.095 0 50 EIAA Cc1ccccc1-n1cc(CN2CCCC[C@H]2c2nccs2)cn1 648005377 AHMFVPBSLZWVTM-SFHVURJKSA-N 338.480 4.364 0 50 EIAA Cc1ccc(N[C@@H](C)c2ccc(C(F)F)nc2)cc1N1CCNC1=O 657994464 FEMDVLKDQAPQDJ-LBPRGKRZSA-N 346.381 4.030 0 50 EIAA CCc1oc(C(=O)N[C@H](C)C2=CCCCC2)cc1CN1CCCC1 823570734 MIAUXDUNEADICK-OAHLLOKOSA-N 330.472 4.057 0 50 EIAA O=C(N[C@@H]1CCCOc2c(F)cccc21)N(Cc1ccoc1)C1CC1 894059920 MYUPVHSSUWONOJ-QGZVFWFLSA-N 344.386 4.007 0 50 EIAA C[C@@H]1CC(CNC(=O)c2cc(O)nc(-c3ccccc3)c2)C[C@@H](C)C1 1875336965 LVUNGQOQCXEBPZ-GJZGRUSLSA-N 338.451 4.256 0 50 EIAA CC(C)c1ccc(-c2nc(C(=O)N(C)[C@@]3(C)CCOC3)cs2)cc1 1875353778 GCRQEKYYMYYFFC-IBGZPJMESA-N 344.480 4.185 0 50 EIAA C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccnc3[nH]ccc23)cc1 2325719917 DUCQVWLTLGBLHT-OAHLLOKOSA-N 348.450 4.190 0 50 EIAA Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3)n2)c1 290503 AWJBOFHHXKIQGK-UHFFFAOYSA-N 345.402 4.203 0 50 EIAA COc1ccc(Br)cc1CNc1cc(C)ccc1OC 293381 NQCDVBWGHSASQN-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA CCOc1cc(CNc2ccc(C(=O)O)cc2)cc(Cl)c1OCC 386392 PQUSTHCBDPTSEM-UHFFFAOYSA-N 349.814 4.448 0 50 EIAA O=C(N[C@@H](Sc1ccccc1)C(=O)c1ccccc1)c1ccccc1 389970 PLGKXEPYTSSYAC-NRFANRHFSA-N 347.439 4.418 0 50 EIAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccs2)c1 450926 UTQSIXMUPXYHHE-SNVBAGLBSA-N 334.466 4.094 0 50 EIAA O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2ccccc2)cc1 457066 CWZKJMDCOFRXFE-UHFFFAOYSA-N 348.427 4.186 0 50 EIAA Cc1cc(C)n(Cc2ccc(NC(=S)NC3CCCCC3)cc2)n1 611393 LSGRSGKCSHQYMW-UHFFFAOYSA-N 342.512 4.167 0 50 EIAA Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(O)cc2)on1 3907781 CHVMLZJRWUGZTQ-UHFFFAOYSA-N 328.755 4.261 0 50 EIAA aggregator O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 8160461 LJKWEKCBAXTRLP-KRWDZBQOSA-N 331.799 4.150 0 50 EIAA COc1ccc(CCN2CCC[C@@H](CN(C)CC3CCCC3)C2)cc1 11878841 AKADMUNWSXYXGU-NRFANRHFSA-N 344.543 4.072 0 50 EIAA Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 12755943 CKAIVXOLDVJNSZ-CQSZACIVSA-N 347.867 4.445 0 50 EIAA CN(Cc1cc(-c2ccccc2)no1)Cc1nc(-c2ccccc2)no1 19773262 YYVUSTJFXHURKY-UHFFFAOYSA-N 346.390 4.024 0 50 EIAA Fc1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1 55543160 VHSUZEDXXWMIDP-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA Cc1nc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)c(C)o1 71681434 CQSOJJVXIISYTK-AWEZNQCLSA-N 348.393 4.055 0 50 EIAA CC1(C)C(=O)[C@@]2(C(=O)Nc3ccc(Cl)cc3Cl)CC[C@H]1C2 100770956 IHNZRJWSQGNGQN-XXFAHNHDSA-N 326.223 4.327 0 50 EIAA Cc1noc2ncnc(N[C@@H](C)c3ccc(OCC4CC4)c(F)c3)c12 192488033 UBHHXORYHHUQIP-JTQLQIEISA-N 342.374 4.027 0 50 EIAA O[C@H](CN1CCC[C@H]1CCc1ccccc1)c1ccc(F)c(F)c1 252680261 YCFGZWFARNPSFM-FXAWDEMLSA-N 331.406 4.095 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@@H]1[C@H]3CCC[C@@]3(C)CC[C@H]12 257345814 JPOWGZUAPKSQIG-ZRDSLKBOSA-N 334.500 4.322 0 50 EIAA C[C@@H](Oc1cccc(F)c1)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299742325 BFCOPISOZGCZOS-UGFHNGPFSA-N 334.391 4.267 0 50 EIAA FC(F)(F)c1ccc(C2(CN[C@H]3CCCn4nccc43)CC2)cc1 657982873 JPCOHXXRMCBTLE-HNNXBMFYSA-N 335.373 4.058 0 50 EIAA CCn1c(C)cc2cc(NC(=O)[C@H](C)n3ccnc3C(C)C)ccc21 823582595 NDNLENJOUSUBPR-HNNXBMFYSA-N 338.455 4.489 0 50 EIAA Cc1csc(C[C@H]2CCCN2Cc2cccc(-c3cnco3)c2)n1 2325802351 BKFCXVPNQWAOSJ-QGZVFWFLSA-N 339.464 4.314 0 50 EIAA CC(F)(F)c1ccccc1-c1ccc(Cn2cc(CO)cn2)cc1 2325843864 SCPPFAHDRHDCFV-UHFFFAOYSA-N 328.362 4.202 0 50 EIAA CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Br)cc1 196527 GXDFCYIUGFHKFJ-AWEZNQCLSA-N 349.253 4.208 0 50 EIAA Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)o2)n1 356065 NFDFAAHIWAJXHH-UHFFFAOYSA-N 343.814 4.355 0 50 EIAA O=C(CSCc1ccccc1)Nc1ccc(Br)cc1 402143 BVPJZMZWNOEPMB-UHFFFAOYSA-N 336.254 4.321 0 50 EIAA COc1ccc(NC(=O)COc2cc(C)cc(C)c2C)cc1Cl 461866 KOTVXPCNYBGZKC-UHFFFAOYSA-N 333.815 4.291 0 50 EIAA O=C(NCc1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1056262 WKGOSRJDSAYJSH-NRFANRHFSA-N 327.427 4.309 0 50 EIAA CCOC(=O)c1nnc(-c2ccccc2)nc1Oc1c(C)cccc1C 1392090 STUVRFWLHQKNSS-UHFFFAOYSA-N 349.390 4.124 0 50 EIAA O=c1oc2ccccc2n1Cc1ccccc1OCc1ccccc1 2706845 UUQYRKAWCRTLEW-UHFFFAOYSA-N 331.371 4.222 0 50 EIAA O=C(CNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 4030566 LRELHWKXXPNAKX-UHFFFAOYSA-N 348.284 4.190 0 50 EIAA Cn1ccnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12 4978589 WKNFVQKEYOTGEE-UHFFFAOYSA-N 337.404 4.050 0 50 EIAA CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 6699601 KDFDEAMRYKSTFQ-UHFFFAOYSA-N 335.766 4.106 0 50 EIAA Cc1ccc2c(CC(=O)Nc3ccc4c(c3)OCCO4)coc2c1C 7598629 BXHFXDFNSYPODG-UHFFFAOYSA-N 337.375 4.002 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 9230833 YTYOUSJVUBBIPN-LBPRGKRZSA-N 346.814 4.095 0 50 EIAA COc1cccc(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)c1 15839825 CHMPQPQGUPCFKP-OAQYLSRUSA-N 346.430 4.226 0 50 EIAA c1ccc2c(-c3noc4c3CN([C@@H]3CCSC3)CC4)cccc2c1 39430133 FQBDLOSOFXLXBC-OAHLLOKOSA-N 336.460 4.358 0 50 EIAA O=C(CCCc1cccs1)Nc1ccc(OC[C@H]2CCCO2)cc1 46500846 SZBWQDDSUWFPOH-QGZVFWFLSA-N 345.464 4.267 0 50 EIAA CC(C)c1cc(C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)n[nH]1 67805233 IXUCLWDDIUDIHS-UHFFFAOYSA-N 349.482 4.303 0 50 EIAA CCc1ccccc1NC(=O)c1ccc(Oc2ccc(C)nn2)cc1 77137452 FNFBQVZGVKKJLD-UHFFFAOYSA-N 333.391 4.392 0 50 EIAA Cc1ccc(-c2cc(C(=O)N(Cc3sccc3C)C3CC3)[nH]n2)o1 91915151 DSBRHDHZFDFDDD-UHFFFAOYSA-N 341.436 4.153 0 50 EIAA Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(F)ccc2n1 170560566 IFAHSXCZCFMIBH-UHFFFAOYSA-N 338.426 4.381 0 50 EIAA O=C(c1cccn1C1CC1)N(CCc1ccccc1)Cc1ccccn1 216467033 WLWCAECWBCSEJH-UHFFFAOYSA-N 345.446 4.103 0 50 EIAA CCN(Cc1noc(C2CC2)n1)C(=O)c1cccc(-c2ccccc2)c1 219113437 HELYWTXCUFPEIP-UHFFFAOYSA-N 347.418 4.276 0 50 EIAA Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@H]1c1ccc(F)cc1 239539193 AVTOQKCDIIRURG-UXHICEINSA-N 343.442 4.019 0 50 EIAA Oc1nc(CN2CC[C@H]3CCCC[C@H]3C2)nc2cc(Cl)ccc12 242302061 YPFWVAOXGRJEHB-OLZOCXBDSA-N 331.847 4.001 0 50 EIAA Cc1nc(C2CC2)oc1C(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 253420448 XJTMXBHMSKILQZ-INIZCTEOSA-N 338.329 4.068 0 50 EIAA Cc1ncsc1CN(C)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 253429142 PHAXPMIMKBFZEC-GOEBONIOSA-N 347.459 4.068 0 50 EIAA CCS(=O)(=O)c1ccc(-c2ccc([C@@H](C)N3CCCC3)cc2)s1 426632853 IOVORRUBBXYYDH-CQSZACIVSA-N 349.521 4.366 0 50 EIAA Cn1ncc(C2CC2)c1/C=C(\Cl)c1nc2cc(F)c(F)cc2[nH]1 849243292 IAJXWJMWSWELDY-WMZJFQQLSA-N 334.757 4.189 0 50 EIAA O=C(CCc1ccncc1)N1CCCC[C@H]1CCc1cccs1 952978588 AYTZNKNZAZVZJG-KRWDZBQOSA-N 328.481 4.090 0 50 EIAA Cc1cc(F)ccc1N1CCC(NCCCOC2CCCC2)CC1 1506411658 JDJHSNLXUFGXJQ-UHFFFAOYSA-N 334.479 4.042 0 50 EIAA OCC1(Cn2ccnc2-c2ccccc2-c2ccccc2)CCOCC1 1857676830 SVQFMVZIWIUQSZ-UHFFFAOYSA-N 348.446 4.006 0 50 EIAA C[C@@H]1C[C@@H]2CCCC[C@H]2N(C(=O)c2cccc(-c3ccncc3)n2)C1 2325791700 RHHNJUUHNSXQTP-OXFYSEKESA-N 335.451 4.184 0 50 EIAA O=C1CS[C@H](c2ccccc2)N1c1ccc(Br)cc1 179895 YFDZQHSDURAARR-OAHLLOKOSA-N 334.238 4.228 0 50 EIAA CCOc1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1 236629 KEUOEJDLYXYKCS-UHFFFAOYSA-N 331.372 4.478 0 50 EIAA O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1 305841 BIWPHWAMZSFSGM-UHFFFAOYSA-N 340.762 4.154 0 50 EIAA COc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2Cl)c1 361996 ICFUCGFPEKJROS-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2C)cc1 443838 IRHFIPQEIJJDML-UHFFFAOYSA-N 343.448 4.044 0 50 EIAA C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1 450582 OANRMXWORHWCBM-ZDUSSCGKSA-N 332.241 4.200 0 50 EIAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 1753701 YXOVOPYRLUXDHO-UHFFFAOYSA-N 349.356 4.060 0 50 EIAA O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 2839081 LKIZNKWMYWPXKS-UHFFFAOYSA-N 339.178 4.044 0 50 EIAA C(=C/c1n[n+](Cc2ccccc2)cn1-c1ccccc1)\c1ccccc1 4774854 LGJCQNGHOVYRLE-WUKNDPDISA-N 338.434 4.379 0 50 EIAA O=C(Nc1cccc(Cl)c1OC[C@H]1CCCO1)c1cccs1 4809820 DUYMUKVSJVRYJK-LLVKDONJSA-N 337.828 4.212 0 50 EIAA CCCn1c(C)nnc1SCc1csc(-c2ccccc2)n1 6400373 LGHHQYOUHZMOIR-UHFFFAOYSA-N 330.482 4.412 0 50 EIAA Cc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1Cl 6488200 VZJTTZBCFMVUOV-CSKARUKUSA-N 330.840 4.175 0 50 EIAA CCc1noc(C)c1C(=O)N[C@@H](CC)C12CC3CC(CC(C3)C1)C2 13330748 UJAVGXWPUQXFFC-SOZFHFLDSA-N 330.472 4.270 0 50 EIAA O=C(Nc1ccc(Br)cn1)Nc1ccc(Cl)cc1F 20435913 GRVITHSZVBMHEN-UHFFFAOYSA-N 344.571 4.281 0 50 EIAA C[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1 21948290 VYUQPZHRDKLOPX-HXUWFJFHSA-N 342.486 4.272 0 50 EIAA in-vitro Cc1ccccc1N1CCN(C(=O)c2ccc3occc3c2)[C@H](C)C1 77555594 YQOFAXJLSWQTAU-MRXNPFEDSA-N 334.419 4.092 0 50 EIAA Cc1cc(C)c(NC(=O)N[C@@H](C)c2nncn2C(C)C)c(Cl)c1 96139197 LTQUSQASNZDQAF-LBPRGKRZSA-N 335.839 4.012 0 50 EIAA CSC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 97446928 QZIQYWKJCCBVCW-LBPRGKRZSA-N 349.887 4.495 0 50 EIAA CCc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 101894125 MYEVXXUPFCMRBN-FMWKFLBASA-N 347.458 4.431 0 50 EIAA O=C(Nc1scnc1-c1ccccc1)[C@H]1OCCc2ccccc21 138545853 LTWPYNZQEYBQNF-KRWDZBQOSA-N 336.416 4.063 0 50 EIAA Cc1ccc(-c2nnc(N(Cc3ccccc3F)C3CC3)n2C)s1 225688546 SBVWUCJWDNUKPQ-UHFFFAOYSA-N 342.443 4.160 0 50 EIAA Cc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 231580300 ABRZOFPJKJXTDJ-UHFFFAOYSA-N 330.236 4.411 0 50 EIAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)s1 263574308 NLJVNKWFSNSWGX-HNNXBMFYSA-N 343.448 4.074 0 50 EIAA CC[C@@H]1C=CCN1C(=O)c1ccc(-c2ccsc2C(C)=O)cc1 534663324 HHRMJFKXHAZXGG-MRXNPFEDSA-N 325.433 4.408 0 50 EIAA COCC1(C)CN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)C1 867909808 SWSWRHVHLRSLJG-DLBZAZTESA-N 335.875 4.109 0 50 EIAA Cc1cccc(F)c1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529093019 ZGXMHKCPADAJFV-RBUKOAKNSA-N 339.410 4.126 0 50 EIAA COc1ccc(-c2cc3nc[nH]c(=NC4CCCC4)c3s2)cc1 1875255741 HYFRPWUDCLRYKU-UHFFFAOYSA-N 325.437 4.143 0 50 EIAA C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)no1)c1cccc(O)c1 1875320408 CBCXNXLQYUBLGL-LLVKDONJSA-N 342.782 4.192 0 50 EIAA CCc1ccc(OC(=O)COc2ccc(C)cc2Br)cc1 38632 VAELNJQBXSYJDF-UHFFFAOYSA-N 349.224 4.304 0 50 EIAA CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C)cc1 90684 OFUYOJLOCGSLQF-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 150777 VMHWBFIKVYLAAB-KRWDZBQOSA-N 331.415 4.437 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1Cl 461311 ZOORZLJWEZOBKO-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA COc1ccc(C(=O)Nc2ccc(COCC(F)(F)F)cc2)cc1 613971 BKTSFYRASFDBNJ-UHFFFAOYSA-N 339.313 4.026 0 50 EIAA COc1cc(N)c(C(c2ccc(C)o2)c2ccc(C)o2)cc1OC 3846761 PFPMZAKBPHIUTA-UHFFFAOYSA-N 327.380 4.269 0 50 EIAA biogenic Cc1ccc(C)c(N2CCN(C(=O)c3oc4ccccc4c3C)CC2)c1 5941759 WHANSPKHFYAVER-UHFFFAOYSA-N 348.446 4.320 0 50 EIAA COc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c(F)c1 12112234 YLHGBPLRXASQCP-AWEZNQCLSA-N 339.414 4.179 0 50 EIAA CCCCC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)O 64858252 UXGXCGPWGSUMNI-XUSBQHJMSA-N 336.472 4.158 0 50 EIAA in-vitro CC(C)Oc1cncc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 154197975 PXGSHBLMKFEIGS-QGZVFWFLSA-N 328.412 4.219 0 50 EIAA O=C(Nc1ccccc1N1CCCC1)c1cc(F)cc2cccnc12 158757228 MSWUJXADRKRKCT-UHFFFAOYSA-N 335.382 4.226 0 50 EIAA Cc1ccc2c(c1)CCCN2C(=O)c1csc(-c2ccncc2)n1 162365199 BPJNELAESWKEQS-UHFFFAOYSA-N 335.432 4.107 0 50 EIAA Cc1coc(-c2cc(NC(=O)N3CCS[C@H](C)CC3)ccc2C)n1 192281971 ILLHCTBRIICPSP-CQSZACIVSA-N 345.468 4.318 0 50 EIAA C[C@H](NC(=O)N1CC2(CCCC2)c2c(F)cccc21)c1ccncc1 194777460 SDEDGOGGVJBWRN-AWEZNQCLSA-N 339.414 4.323 0 50 EIAA CCCC[C@H](c1cccnc1)N(C)C(=O)Cc1sc(C)nc1C 215279210 OZUZQWMGFWKFAE-MRXNPFEDSA-N 331.485 4.087 0 50 EIAA CCC(C)(C)[C@H]1CCCN1CC(=O)N1CCC[C@H]1c1cccs1 241590517 PFMBKFVQLFWOEE-DOTOQJQBSA-N 334.529 4.312 0 50 EIAA Nc1nc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 252490517 KWAUFDAWJMJKMP-UHFFFAOYSA-N 331.297 4.088 0 50 EIAA Cc1cc(O)nc2cc(NC(=O)[C@@H](CC(C)C)n3cccc3)ccc12 253623832 PBWFOZGSAXGBGI-GOSISDBHSA-N 337.423 4.276 0 50 EIAA CCOc1ccc(/C=C/c2ncc(C(=O)O)c(C(C)C)n2)cc1F 278207207 GTXZHFXGCDMVMC-SOFGYWHQSA-N 330.359 4.006 0 50 EIAA CC(C)c1ccoc1C(=O)Nc1cccc2c1OC(C)(C)C[C@@H]2O 885658622 CCEVHTKQWYAMJA-HNNXBMFYSA-N 329.396 4.250 0 50 EIAA CCC1(c2ccc(C(=O)NCCc3nnc(C(C)C)s3)cc2)CC1 2325878554 UIPRQQVYTXVMHE-UHFFFAOYSA-N 343.496 4.076 0 50 EIAA CC(C)(c1ccccc1)c1ccc(OCC(=O)NCc2ccco2)cc1 36990 GVSSXKBXXJWTEE-UHFFFAOYSA-N 349.430 4.301 0 50 EIAA CCc1ccccc1NC(=O)COc1ccc(Br)cc1 37567 YBWRBBXUALZZBL-UHFFFAOYSA-N 334.213 4.029 0 50 EIAA Cc1cccc(OCC(=O)Nc2cccc(Br)c2)c1C 122274 KVRDKRDMDVSETM-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 222194 LHMPORLAEDKRHM-IRXDYDNUSA-N 340.814 4.086 0 50 EIAA Cc1ccccc1N1C(=O)c2ccc(Oc3cccc(N)c3)cc2C1=O 241276 RZGHXTMHMYVCCZ-UHFFFAOYSA-N 344.370 4.170 0 50 EIAA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 445828 LNYRMHLHNXNZLL-ZROIWOOFSA-N 335.256 4.189 0 50 EIAA Cc1cc(C)cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1 558417 IBYBVIJOENWXAF-UHFFFAOYSA-N 344.842 4.046 0 50 EIAA CCSc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1 2993022 SAEGTIUIRIKJAE-UHFFFAOYSA-N 339.464 4.349 0 50 EIAA CCCOc1ccc(C(=O)Nc2ccccc2NC(=O)CCC)cc1 4734873 MEUOAVIFPJWWRG-UHFFFAOYSA-N 340.423 4.466 0 50 EIAA CC(=O)CSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5575724 FAUGHAHWLCXBFL-UHFFFAOYSA-N 345.855 4.348 0 50 EIAA Cc1nn2c(-c3ccc4c(c3)OCO4)ccnc2c1-c1ccc(F)cc1 6757605 WJFCOLRNIFEOKI-UHFFFAOYSA-N 347.349 4.240 0 50 EIAA COc1ccc(SCc2cc(=O)c3cc(Cl)ccc3[nH]2)cc1 8619588 WBKFYCBATKOPRQ-UHFFFAOYSA-N 331.824 4.482 0 50 EIAA CC1=CC(C)(C)N(C(=O)CSc2ncccn2)c2c(C)cccc21 9047179 SSBGOXIIJIWLCE-UHFFFAOYSA-N 339.464 4.106 0 50 EIAA Cc1ccc(C)c(-c2n[nH]cc2-c2nc3c(cnn3CC(C)C)[nH]2)c1 20636961 GLEINJSOAWODOZ-UHFFFAOYSA-N 334.427 4.089 0 50 EIAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)on1 33269979 HQBACURLLNGQCO-AWEZNQCLSA-N 341.367 4.023 0 50 EIAA CCC[C@@H](C)c1c(-c2ccccc2)ncn1Cc1noc(COC)n1 65501162 ROTLFMRURLFATL-CQSZACIVSA-N 340.427 4.031 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)[nH]n1 71707781 SUVHJNKKDRHTDB-OAHLLOKOSA-N 343.446 4.157 0 50 EIAA CC(=O)c1cccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1 77303498 OSPMMQPZNAMHES-IBGZPJMESA-N 325.383 4.396 0 50 EIAA Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@H]2c2ccccn2)s1 77387533 ULADMYFPTUCAIN-KRWDZBQOSA-N 349.459 4.491 0 50 EIAA CC(C)Oc1cncc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 154198080 PXGSHBLMKFEIGS-KRWDZBQOSA-N 328.412 4.219 0 50 EIAA CCN(CCCN(C)C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 170605325 XJHMLNSYGDCPNZ-UHFFFAOYSA-N 337.467 4.063 0 50 EIAA Cc1ccc(-c2nc(CCNC(=O)c3cc(C)cc(F)c3)co2)cc1 172988863 NSNNHVDVLWVKJR-UHFFFAOYSA-N 338.382 4.070 0 50 EIAA CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC[C@@H]3C)ccc21 173152600 UAZZQHXPFZBVJR-NSHDSACASA-N 339.361 4.261 0 50 EIAA Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1cc2ccccc2o1 180047035 NARQBNIKHWCCCF-OAHLLOKOSA-N 337.423 4.146 0 50 EIAA COc1cccc(C2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c1 194962106 XGIWFPWRCMKRSL-UHFFFAOYSA-N 346.377 4.385 0 50 EIAA Cc1ccccc1SC1CCN(C(=O)c2ccn(C)c2C)CC1 299762265 NJRYAKYOTGJAMM-UHFFFAOYSA-N 328.481 4.039 0 50 EIAA CCSc1ccc(NC(=O)NCCCc2c(C)noc2C)cc1 299772016 ZZYIGZFKARXSCL-UHFFFAOYSA-N 333.457 4.158 0 50 EIAA O=C(CC1(O)CCCC1)N1CCC[C@@H]1c1nc(C2CCCCC2)co1 371061515 GIEPQHQMBPJNME-QGZVFWFLSA-N 346.471 4.081 0 50 EIAA CCCC[C@@H](c1cccnc1)N(C)C(=O)NCc1cc(F)ccc1F 426500067 HHSAJEFMSHMVMF-SFHVURJKSA-N 347.409 4.433 0 50 EIAA Cc1ccc(S[C@H](C)C(=O)NCCc2csc(C(C)C)n2)cc1 588133697 PWLAAVCWFMBAQV-CQSZACIVSA-N 348.537 4.414 0 50 EIAA COCC1(CNCc2cnc(-c3cccc4ccccc34)nc2)CCC1 952984582 YKSRCUPFHXPRMJ-UHFFFAOYSA-N 347.462 4.203 0 50 EIAA O=C(Nc1ccc(-c2cccc(O)c2)cc1)c1cc2scnc2[nH]1 1155525114 JYCYXXPSYJAYTP-UHFFFAOYSA-N 335.388 4.249 0 50 EIAA Nc1nc(SC[C@H]2C[C@@H]3C[C@@H]3C2)nc2sc3c(c12)CCCC3 1875354754 NUBQJNYUMVOZBL-JGPRNRPPSA-N 331.510 4.291 0 50 EIAA CCC[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(Oc2ccccc2)cc1 2325822055 AGAMSQIZZQNIQA-FXAWDEMLSA-N 338.451 4.140 0 50 EIAA O=C(COc1ccc(Br)cc1)Oc1ccccc1Cl 38630 YWSMNCHKAZCSMW-UHFFFAOYSA-N 341.588 4.087 0 50 EIAA CCN(CC)c1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1 187168 UJOQSHCJYVRZKJ-UHFFFAOYSA-N 334.375 4.447 0 50 EIAA CSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 335935 KDHXGZJLEYCMTG-BLLLJJGKSA-N 340.452 4.137 0 50 EIAA CCCCOCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1850410 NCMJQZVNCFTQPG-LLVKDONJSA-N 335.227 4.121 0 50 EIAA CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 3127144 IKCUOQFDCQUFTQ-OAHLLOKOSA-N 327.424 4.365 0 50 EIAA biogenic C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccccc1 3908251 AXKCYUDBYGWJIR-GFCCVEGCSA-N 326.783 4.486 0 50 EIAA CCCc1sc(C(=O)N2CCCCCC2)cc1Br 6636436 DXJXNJWJQBVHHS-UHFFFAOYSA-N 330.291 4.479 0 50 EIAA Cc1occc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 12448384 OAXKMAFSEFXUMH-SFHVURJKSA-N 326.440 4.428 0 50 EIAA COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(=O)oc12 14493203 SGBCTCMXOLWRSR-UHFFFAOYSA-N 343.766 4.016 0 50 EIAA Fc1ccc(N[C@H]2CCCN(Cc3cccc4ncccc34)C2)cc1 15073924 OKGRZUQCAVNMNS-IBGZPJMESA-N 335.426 4.450 0 50 EIAA Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@@H]2C2CC2)c(C(F)F)n1 38248380 XQJQCBDIXRIYRP-CHWSQXEVSA-N 331.366 4.124 0 50 EIAA in-vivo CCCCN(CCCC)CCNCCN(CCCC)CCCC 44076111 LLHVBJQIWZHCCV-UHFFFAOYSA-N 327.601 4.380 0 50 EIAA OC1(Cn2cnc(-c3ccccc3)c2-c2nccs2)CCCCC1 65396169 XACCOBNDCKHAOO-UHFFFAOYSA-N 339.464 4.369 0 50 EIAA Cc1cc(C(=O)N[C@@H](C)c2nc(C)sc2C)c2cccc(C)c2n1 82157429 KEPNKDNXPBZHRT-LBPRGKRZSA-N 339.464 4.416 0 50 EIAA CCn1ccc(=O)c(NC(=O)c2sccc2-c2ccc(C)cc2)c1 135286778 BMGCNWAQRPFLEZ-UHFFFAOYSA-N 338.432 4.157 0 50 EIAA CSc1ccsc1C(=O)N1CC[C@H](COCc2ccccc2)C1 172808680 WDHLUUPGHPYMCP-HNNXBMFYSA-N 347.505 4.149 0 50 EIAA Cc1noc(C)c1CC(=O)Nc1cccnc1-c1ccc(Cl)s1 187120522 KMMUYEWBTACJAU-UHFFFAOYSA-N 347.827 4.250 0 50 EIAA CCO[C@H](CNC(=O)c1scnc1C1CCCC1)c1ccccc1 194196672 QHIFQSUJNGLXGT-MRXNPFEDSA-N 344.480 4.308 0 50 EIAA CCCc1cc(=O)oc2cc(Oc3nc([C@@H](C)OC)ns3)ccc12 253396562 CUGNAQYKVNGWGZ-SNVBAGLBSA-N 346.408 4.097 0 50 EIAA CC(C)c1[nH]ccc1C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl 331735925 URTKWFRBZMTOMG-LBPRGKRZSA-N 339.222 4.308 0 50 EIAA C[C@@H](Cc1cccs1)C(=O)N1CCC(OCc2ccccc2)CC1 408512972 OLTHDJOEFIFKKY-INIZCTEOSA-N 343.492 4.135 0 50 EIAA CCOc1ccccc1-c1nnc(SCc2cc(C)ns2)o1 952994525 QHVZZZMTCJQZEQ-UHFFFAOYSA-N 333.438 4.193 0 50 EIAA O=C(Nc1cc(-c2ccc(F)cc2)no1)[C@H]1C[C@@H]1c1cccc(F)c1 1775975430 AUAREVAWIFTILQ-CVEARBPZSA-N 340.329 4.362 0 50 EIAA Fc1ccc([C@@H](Cn2ccnc2)N[C@@H]2CCCc3sccc32)cc1 2325745099 LZSJBJFYSUDAKN-QZTJIDSGSA-N 341.455 4.492 0 50 EIAA C[C@]1(c2nc([C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)CCC(=O)N1 2325792771 LFYLQYVLMQMNGP-ISTVAULSSA-N 332.391 4.104 0 50 EIAA Cc1noc(C)c1C[C@H](C)NCc1cc2cc(F)ccc2nc1Cl 2325801297 AWIXLQAVFNVNAJ-JTQLQIEISA-N 347.821 4.353 0 50 EIAA Cc1noc(C)c1C[C@@H](C)NCc1cc2cc(F)ccc2nc1Cl 2325801298 AWIXLQAVFNVNAJ-SNVBAGLBSA-N 347.821 4.353 0 50 EIAA O=C(O)C12C[C@@H]3C[C@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 87128 GLJDZZQQPFAEPQ-AOLKXXINSA-N 330.268 4.193 0 50 EIAA COc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 133690 AIRTWISSAFHEKV-RMKNXTFCSA-N 331.799 4.318 0 50 EIAA O=S(=O)(c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 392333 PGVJWOQWIJCVBV-UHFFFAOYSA-N 328.364 4.451 0 50 EIAA CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(F)cc3)ccc12 455011 RXFUAXNKLGVUJU-UHFFFAOYSA-N 340.350 4.065 0 50 EIAA biogenic CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccco1 465139 PKWAZRHFLNBZPH-OCHBPSSRSA-N 328.437 4.320 0 50 EIAA COc1cccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)c1 525210 WBLHKATZHPUBHJ-UHFFFAOYSA-N 342.811 4.182 0 50 EIAA Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1C 580764 WJLSTWQURKDYTN-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA CSc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 614758 SVEAIHMCVLUEFV-UHFFFAOYSA-N 329.446 4.363 0 50 EIAA CCCCc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1909370 YAJJMVCTNZUFSE-UHFFFAOYSA-N 343.423 4.307 0 50 EIAA biogenic,in-vitro Cn1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 2802589 VPFGHGHPLWGLRM-UHFFFAOYSA-N 334.803 4.018 0 50 EIAA COc1ccc(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 6704205 MXZYUZQGYGODNK-UHFFFAOYSA-N 334.297 4.355 0 50 EIAA Cc1cccc(Nc2ncc3c(n2)C[C@H](c2ccccc2O)CC3=O)c1 9935882 PHTKBTUGSMRLKB-AWEZNQCLSA-N 345.402 4.147 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)C)cc1 12138405 MHRUBPLULBLFKF-UHFFFAOYSA-N 326.396 4.075 0 50 EIAA C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 13320543 RFTZTFATXLMKOF-PELKAZGASA-N 336.741 4.048 0 50 EIAA O=C(N/C(=C/c1ccco1)c1nc2ccccc2[nH]1)c1cccs1 22147607 QCLHOJMPEZNSLH-RVDMUPIBSA-N 335.388 4.146 0 50 EIAA Cc1noc(-c2ccccc2NC(=O)c2cccc3ccccc23)n1 22463608 CQHJDKKFAZLPMZ-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA COc1cc2c(cc1OC)CN(CC[C@@H](C)c1ccccc1)CC2 23281263 UVQUJLCPUSGRBU-MRXNPFEDSA-N 325.452 4.256 0 50 EIAA COc1ccc(-c2nn3c(N4CCCCC4)cc(C)nc3c2C)cc1 40216826 AGVKXQBMEAQGBW-UHFFFAOYSA-N 336.439 4.012 0 50 EIAA CC(C)(C)OC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1 91302832 BYAUHVJNVGKPOF-UHFFFAOYSA-N 341.407 4.068 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@H]3c3ccccn3)[nH]c12 91892846 HGPMVYHXLUHUOM-KRWDZBQOSA-N 333.435 4.465 0 50 EIAA O=C(Nc1ccc(CO)c(Cl)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 170083296 BPLIEVNMYHWMFG-GJZGRUSLSA-N 336.218 4.228 0 50 EIAA Cc1nc(C)c([C@H](C)N(C)C(=O)CCc2ccc3[nH]ccc3c2)s1 180506316 SKNMLOCTSFHSHM-ZDUSSCGKSA-N 341.480 4.393 0 50 EIAA Brc1cccnc1NCc1coc(-c2cccs2)n1 225650870 MPIOUHBAIQTGGT-UHFFFAOYSA-N 336.214 4.173 0 50 EIAA O=S1(=O)C[C@]23CC=CC[C@@]2(CC[C@H]2CC[C@H]4CCCC[C@@H]4[C@@H]23)C1 247346463 URACDKFMGOHETL-FFDFYAMSSA-N 334.525 4.364 0 50 EIAA C1=C[C@H]2[C@@H](C1)[C@@H]1C[C@@H]2[C@H](OCCO[C@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@@H]23)C1 253596306 PSUKSRYRAXNSIY-LCLPDGDVSA-N 326.480 4.221 0 50 EIAA O=C(Nc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 269399657 CAUCCKBDJSHWQO-OLZOCXBDSA-N 337.345 4.384 0 50 EIAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1sccc1Cl 285244250 WEJOERPFUJAKQG-ZDUSSCGKSA-N 337.828 4.212 0 50 EIAA Cc1ccoc1CN(C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 292407780 UHYYYXBNRYISEY-INIZCTEOSA-N 328.456 4.479 0 50 EIAA C[C@H](NCc1cc2ccccc2n(C)c1=O)c1cccc(Cl)c1 426295657 UZLMHPBWIYCIPX-ZDUSSCGKSA-N 326.827 4.043 0 50 EIAA Cc1cc(C(=O)N(C)Cc2cscn2)sc1-c1ccccc1 426505778 NJNCBNURNQJNFM-UHFFFAOYSA-N 328.462 4.452 0 50 EIAA Cc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)sc1C 470670314 UYDGVIXQFDWSLQ-GOSISDBHSA-N 342.508 4.102 0 50 EIAA COc1ccccc1C1CCN(C(=O)c2c(C)cccc2OC)CC1 952983240 SHDOHLPCPDCZAK-UHFFFAOYSA-N 339.435 4.032 0 50 EIAA O=C(Nc1ccc(Oc2nccs2)c(Cl)c1)[C@@H]1CCCS1 1875262979 KDPOFKWICZQXMK-LBPRGKRZSA-N 340.857 4.423 0 50 EIAA COc1ccc2cc(/C=C/C(=O)O[C@H](C)Cc3cccnc3)ccc2c1 2325725146 PQTIYOWAQJHREJ-VGZDNEPHSA-N 347.414 4.431 0 50 EIAA C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)OCc1ccc(C(C)(C)C)cc1 2325854448 FBQZCGKFPXYHSY-BBRMVZONSA-N 326.440 4.117 0 50 EIAA Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccncc3)ccc12 61389 IWOGFTFQGRGSAH-UHFFFAOYSA-N 349.390 4.311 0 50 EIAA CCc1nc2ccccc2c(NC(=O)CN(C)Cc2ccccc2)c1C 207585 OGYSSDCROMUZNG-UHFFFAOYSA-N 347.462 4.176 0 50 EIAA Cn1c([C@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 233907 GUWSKXXRBBBLSP-OAQYLSRUSA-N 344.414 4.234 0 50 EIAA C[C@@H]1C[C@H](NC(=O)c2ccc(Br)s2)CC(C)(C)C1 376617 DFYTWDOEZSZJGX-ZJUUUORDSA-N 330.291 4.455 0 50 EIAA C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@@H](C)O1 397255 LLZDCBIOKUESQB-HTQZYQBOSA-N 337.634 4.288 0 50 EIAA O=C(Cc1ccc(Br)cc1)Nc1nc2ccccc2s1 442171 PMADAXDVJKZMIF-UHFFFAOYSA-N 347.237 4.240 0 50 EIAA COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc3ccccc23)c1 509805 HFYBFMSJGVNMCW-CQSZACIVSA-N 335.403 4.348 0 50 EIAA C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 1117280 MVPZIIXKEANFCY-IJLUTSLNSA-N 330.255 4.265 0 50 EIAA Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C)c1 2336951 LVKGBSPKKFEMEO-UHFFFAOYSA-N 347.823 4.273 0 50 EIAA O=C(NCCCCc1ccccc1)c1ccccc1Br 2493706 DNSIBOVUTNLCHI-UHFFFAOYSA-N 332.241 4.202 0 50 EIAA CCc1c(C)sc2ncn3nc([C@H]4C[C@@H]4c4ccccc4)nc3c12 2805481 WPZNERJASZDRAG-CABCVRRESA-N 334.448 4.481 0 50 EIAA COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC 4839619 JJPUQAHGWAMKAQ-UHFFFAOYSA-N 335.875 4.416 0 50 EIAA O=C1S/C(=C/Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 5946929 IJFXARQQNGZHAJ-XNTDXEJSSA-N 344.823 4.489 0 50 EIAA CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1C 8587018 DHHHONGAUOAGCT-FQEVSTJZSA-N 333.435 4.076 0 50 EIAA O=C(C1CCCC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 12197102 RLUAJDIJBBENAS-OAQYLSRUSA-N 332.532 4.071 0 50 EIAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(NC(C)=O)c1 12404167 RHLKIAHTHVPFOZ-CQSZACIVSA-N 340.423 4.176 0 50 EIAA O=C(Nc1ccccc1)Nc1nnc(CSc2ccccc2)s1 17057158 SGMHUKUTPWWXPQ-UHFFFAOYSA-N 342.449 4.474 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1ccccc1 22457671 NOBHSCHDZVJDNB-UHFFFAOYSA-N 342.358 4.051 0 50 EIAA CC(=O)Nc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1 65410298 LMRFCCRAPREINB-KRWDZBQOSA-N 349.434 4.166 0 50 EIAA CCC[C@@H]1C=CCN1C(=O)c1cc(-c2cccnc2)nc2ccccc12 97117336 IBNJSXWPJNGOQF-QGZVFWFLSA-N 343.430 4.478 0 50 EIAA CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(Br)cc2)C1 115037097 NFTKVQYDQFSNHQ-GFCCVEGCSA-N 326.234 4.174 0 50 EIAA O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1OCCc2ccccc21 136453859 OTXGAABXSFNYPA-KRWDZBQOSA-N 336.416 4.063 0 50 EIAA COC(=O)c1c(F)cccc1NC(=O)N1CCC[C@@H]1c1cccs1 179222123 WYHNKJVQUDCKHX-CYBMUJFWSA-N 348.399 4.043 0 50 EIAA Cc1cc(F)cc2[nH]c(C(=O)N3C[C@H]4CCC(=O)c5cccc3c54)cc12 183809087 DZXOWKZGXJKKTP-GFCCVEGCSA-N 348.377 4.336 0 50 EIAA Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 242191270 XEFWHCBIGJEZIM-GOEBONIOSA-N 328.387 4.066 0 50 EIAA C[C@H](Sc1ccc2ccccc2n1)C(=O)N[C@@H]1CCCC[C@H]1C 248001212 SSUDPGGFIUOSAD-IJEWVQPXSA-N 328.481 4.410 0 50 EIAA NCc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 252507323 WHDIPNHIOLAPQR-UHFFFAOYSA-N 343.839 4.175 0 50 EIAA C[C@@H](c1nc(O)c2ccccc2n1)N1CCC[C@H]1c1ccsc1 253531054 HXWMAALAZFAZQD-LRDDRELGSA-N 325.437 4.295 0 50 EIAA COc1ccc(C2(CNC3CCC(C(=O)O)CC3)CCCCC2)cc1 263494233 SFEOHQUSNNFASD-UHFFFAOYSA-N 345.483 4.130 0 50 EIAA Cc1ccc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)n1C(F)F 299802556 ZJCUFTTWPZKDPH-LBPRGKRZSA-N 338.785 4.475 0 50 EIAA COCC1(CNC(=O)c2ccc(-c3ccc4cc[nH]c4c3)cc2)CCC1 426489335 IBHVJKQIJUHWLE-UHFFFAOYSA-N 348.446 4.381 0 50 EIAA O=C(Nc1ccc(C(F)(F)F)nc1)N1CC(C2CCCCC2)C1 455037260 HQOGUTSTIJJZTF-UHFFFAOYSA-N 327.350 4.144 0 50 EIAA Cc1nc([C@@H]2CCCN2c2ncnc3ccc(C(C)C)cc23)[nH]c1C 895198188 YUHOADXTUNASSK-SFHVURJKSA-N 335.455 4.435 0 50 EIAA CCOc1ccc2ccccc2c1CN1CCC[C@@]2(CCC[C@H]2O)C1 1704302124 DOMRCMGURUIQGN-YADHBBJMSA-N 339.479 4.366 0 50 EIAA CC[C@]12C[C@H]1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 1772812721 PLWXSNLQBPNDMV-SIKLNZKXSA-N 344.462 4.166 0 50 EIAA CN1CC[C@H](n2ccnc2-c2ccc(OCCc3ccccc3)cc2)C1 1857731227 CYVROARVUFLTSJ-FQEVSTJZSA-N 347.462 4.048 0 50 EIAA Fc1ccc(Cn2cc(OC[C@H]3CCC[C@@H]3C(F)(F)F)cn2)cc1 1875327965 RKVZCBVTCFDGNZ-CJNGLKHVSA-N 342.336 4.428 0 50 EIAA C[C@H]1C[C@@H](N[C@@H](C)[C@]2(C)CC2(F)F)C[C@@H](C)N1Cc1ccccc1 1875408370 UMLQXDLNOYOSHC-CTRAYCPCSA-N 336.470 4.451 0 50 EIAA COc1cc2cnnc(N(C)[C@H]3C[C@H](c4ccccc4)C3)c2cc1OC 2325821363 IWISXSWRIPDCIL-JCNLHEQBSA-N 349.434 4.029 0 50 EIAA CCOC(=O)c1cc(C(C)(C)C)nn1Cc1c(C)cc(C)cc1C 128345 FAOFWPUQYMFDIC-UHFFFAOYSA-N 328.456 4.331 0 50 EIAA in-vitro CC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2)cc1Cl 395684 KCKNOHLGRVUISD-UHFFFAOYSA-N 334.799 4.333 0 50 EIAA c1coc(-c2nnc3sc(-c4csc5c4CCCC5)nn23)c1 620047 OMVLFRHFRDOWND-UHFFFAOYSA-N 328.422 4.053 0 50 EIAA COCCSc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 2865298 BXRVIBAAXAUZRJ-UHFFFAOYSA-N 339.819 4.470 0 50 EIAA O=C1C[C@H](c2ccccc2)Sc2nc(-c3ccc(Cl)cc3)nn21 4268660 DVDBHNUIXBPZFX-CQSZACIVSA-N 341.823 4.476 0 50 EIAA CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccco1 4487167 NGKMTWLPFOPWTM-UHFFFAOYSA-N 345.786 4.034 0 50 EIAA CC[C@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1 4828601 SXDATOBDYYMYDY-ZDUSSCGKSA-N 348.374 4.371 0 50 EIAA CC(=O)Nc1cccc(NC(=O)c2ccccc2SC(C)C)c1 8041035 UMWABQWWKXESNW-UHFFFAOYSA-N 328.437 4.398 0 50 EIAA Cc1cccc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1 15071614 YODKONGOODQEFC-UHFFFAOYSA-N 346.430 4.157 0 50 EIAA CCCCc1ccc(NC(=S)NC2CCN(C(C)C)CC2)cc1 17068704 FAAKHTWGHVVAEV-UHFFFAOYSA-N 333.545 4.188 0 50 EIAA C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 26183954 LKAJKIOFIWVMDJ-XJKGWNRQSA-N 328.500 4.118 0 50 EIAA CC(C)c1nc(CNc2nccc(CCC(F)(F)F)n2)cs1 71614164 LASXKJXYFWZBFZ-UHFFFAOYSA-N 330.379 4.164 0 50 EIAA O=C(c1ccccc1O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 71777101 LSJFOZDRURZTCH-CQSZACIVSA-N 345.389 4.155 0 50 EIAA O=C(Cc1ccccc1)[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 72481347 IICOZBZBHUCURZ-KRWDZBQOSA-N 343.854 4.069 0 50 EIAA Cc1ccc(N2CCN(C(=O)c3cccc4cc(C)oc34)[C@H](C)C2)cc1 77339353 HTJAAHQROAEHLT-MRXNPFEDSA-N 348.446 4.401 0 50 EIAA COCCC[C@H]1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)C1 82161635 FNBHSDRMWUBKTL-CQSZACIVSA-N 346.858 4.167 0 50 EIAA CC(C)n1ccnc1C1CCN(C(=O)c2sccc2Cl)CC1 91474402 UVPMQLMJXBGNLO-UHFFFAOYSA-N 337.876 4.199 0 50 EIAA O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 114898930 KKZLLZICYHDUPB-GOSISDBHSA-N 346.434 4.488 0 50 EIAA COC(=O)Nc1ccc(O[C@H](C)c2noc(-c3ccccc3)n2)cc1 170616318 RDMKIFGPXJZKOR-GFCCVEGCSA-N 339.351 4.055 0 50 EIAA Cc1oc2ccccc2c1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 185680061 XQGRWXOHAHYYFU-UHFFFAOYSA-N 334.375 4.268 0 50 EIAA Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)nc2ccccc12 194687733 QZMKOGRIYNPXJH-LBPRGKRZSA-N 325.799 4.083 0 50 EIAA Cc1cc(C(=O)N2CCCC2)ccc1NCc1cnc2ccccc2c1 283759754 AKIAVEWXTXKHBO-UHFFFAOYSA-N 345.446 4.391 0 50 EIAA CCc1ccccc1-c1noc(Cc2csc([C@@H](C)OC)n2)n1 328593817 NHYFCSKOHFUNJZ-LLVKDONJSA-N 329.425 4.054 0 50 EIAA Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H](C)[C@@H](C)C3)cc2F)n1 499589844 KSBOWRYVVCKEMC-STQMWFEESA-N 344.434 4.138 0 50 EIAA c1ccc2c(c1)sc1nnc(SCc3cnc(C4CC4)o3)n12 863950018 KHWHBJMEVBSTDB-UHFFFAOYSA-N 328.422 4.102 0 50 EIAA Cc1ccccc1-c1nsc(N2CCCC[C@H]2c2ncccn2)n1 895975614 CMGPZHDMDMVMOY-HNNXBMFYSA-N 337.452 4.035 0 50 EIAA Cc1csc([C@@H](C)NC2CCN(c3ccc(F)c(F)c3)CC2)n1 1506412838 FRHFDYHWKYORNT-GFCCVEGCSA-N 337.439 4.049 0 50 EIAA COc1ccc(OC(=O)c2ccc3ccncc3n2)c(C(C)(C)C)c1 2325754562 VHKHMGUQIZNFHO-UHFFFAOYSA-N 336.391 4.155 0 50 EIAA Cc1cc(-c2noc([C@@H]3C[C@H]3c3ccc(Br)cc3)n2)no1 2325803615 QOHFQIKNOVKAGE-NWDGAFQWSA-N 346.184 4.067 0 50 EIAA CC(C)Cc1ccc([C@H](C)NC(=O)C2(CN)C[C@@H]3CCC[C@H]3C2)cc1 2325827769 PZGUFLNMZYJBFX-VDGAXYAQSA-N 342.527 4.218 0 50 EIAA CC(C)c1ccc(CN(C(=O)Cc2ccc(CN)cc2)C2CC2)cc1 2325864978 HVWFBBXDOLWMDI-UHFFFAOYSA-N 336.479 4.002 0 50 EIAA O=C(O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 109871 OHMNZXDXOKJCME-VQTJNVASSA-N 349.430 4.385 0 50 EIAA CCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 442576 OSHUVGNTIFOMPV-UHFFFAOYSA-N 334.419 4.392 0 50 EIAA CC(C)(C)c1ccc(OCCCn2cnc3ccccc3c2=O)cc1 2862759 CIHCFNWTXPMOOH-UHFFFAOYSA-N 336.435 4.163 0 50 EIAA CCCOc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 5313893 SOSUIZKASGZCJQ-UHFFFAOYSA-N 329.787 4.257 0 50 EIAA Clc1ccc(Cl)c(-c2ccc(CNCC3CCNCC3)o2)c1 10434738 RVMKVUKWVVZNHI-UHFFFAOYSA-N 339.266 4.343 0 50 EIAA CC(C)C[C@@H](O)c1ccc2c(c1)CN(CCc1ccccc1)CCO2 11882473 VVVHJUNQTPTRNW-OAQYLSRUSA-N 339.479 4.203 0 50 EIAA Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)[nH]1 11935010 XQMQNONCTBKWPE-HNNXBMFYSA-N 344.842 4.020 0 50 EIAA O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1cccc(F)c1 36620475 JEWBDAONMZWUEC-OAHLLOKOSA-N 339.819 4.005 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cs1 91319724 XHHCBMDFPDHYRC-KRWDZBQOSA-N 329.465 4.390 0 50 EIAA CCc1n[nH]c(C(=O)N(Cc2ccc(C)s2)C2CCCC2)c1C 97636623 UQPUTKAFKPNSOB-UHFFFAOYSA-N 331.485 4.235 0 50 EIAA CC1(C)Cc2cccc(CNc3ccc4c(c3)CCCC(=O)N4)c2O1 130493076 JMCQCDNZIPXFJC-UHFFFAOYSA-N 336.435 4.287 0 50 EIAA CCOc1cc2c(cc1NCc1nc(C3CCCC3)no1)O[C@H](C)C2 151837145 MXIGWFYYSSIEBN-GFCCVEGCSA-N 343.427 4.061 0 50 EIAA Cc1nc(C)c(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)o1 156617010 KLDKNKWNIQNGHI-GXFFZTMASA-N 339.222 4.132 0 50 EIAA Cc1nc(CN(C)[C@@]2(CO)CC[C@H](C)C2)oc1-c1ccc(Cl)cc1 170085646 ZJFWYQUUFHJRQS-DJJJIMSYSA-N 348.874 4.286 0 50 EIAA CO[C@@H](C(=O)Nc1ccc(F)cc1C(F)(F)F)c1ccccc1 183728624 NSUFMTXEHLSVJG-CQSZACIVSA-N 327.277 4.171 0 50 EIAA CCn1cc(C2CCN(C(=O)NCCC3=CCCCCC3)CC2)cn1 185269596 DOZCKOACHHYZRJ-UHFFFAOYSA-N 344.503 4.073 0 50 EIAA O=C(Nc1ccsc1Cl)N1CCC[C@@H]1C[C@H](O)c1ccco1 189321779 BNRWQBPMEPLDPF-PWSUYJOCSA-N 340.832 4.115 0 50 EIAA Cc1ccccc1NC(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1 230155245 DAPGXQOUCOUGBX-MSOLQXFVSA-N 329.488 4.113 0 50 EIAA CCO[C@@H]1C[C@@H](NCc2ccc(CSC(F)F)o2)C12CCC2 236878131 YWMPIMYNRMSNPP-ZIAGYGMSSA-N 331.428 4.173 0 50 EIAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)n1 248124200 WGEIDCCMNAODRA-VVFCZOMOSA-N 325.456 4.044 0 50 EIAA CN(C(=O)CCc1cccs1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273295142 LTEKCGOCSZNKCN-FUHWJXTLSA-N 347.455 4.199 0 50 EIAA CCOc1cccc2[nH]cc(CC(=O)Nc3ncsc3C(C)C)c12 288829889 KVOWYKPPXXKGBZ-UHFFFAOYSA-N 343.452 4.328 0 50 EIAA COc1cc(CNCc2ccccn2)ccc1OC1CCCCCC1 299802642 UROJJKQUBVZZAF-UHFFFAOYSA-N 340.467 4.482 0 50 EIAA O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1ccc(F)cc1 328592207 NCQCXRQPUVKFEP-UHFFFAOYSA-N 335.382 4.278 0 50 EIAA CC(=O)N1CCC[C@H](c2noc(-c3ccccc3CC(C)(C)C)n2)C1 904013011 FARCNYBQJQPTQK-INIZCTEOSA-N 341.455 4.051 0 50 EIAA CC(=O)c1cc(CN2CCc3c([nH]c4ccccc34)[C@@H]2C(C)C)n(C)c1 952984185 YTTWWUDAYYQZNC-QFIPXVFZSA-N 349.478 4.464 0 50 EIAA CC(C)c1nnsc1C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 1336432682 KLUUSSIIGQTXTH-HNNXBMFYSA-N 345.443 4.167 0 50 EIAA Cc1cc(N2CCC[C@@H](C(=O)c3ccccn3)C2)nc2ccc(F)cc12 1506403596 QFVHYQRLXRIWCF-OAHLLOKOSA-N 349.409 4.177 0 50 EIAA CO[C@@H](c1nc(-c2ccc(C)cc2)nn1CC(C)(C)C)[C@H]1CCOC1 1875336400 ZJAFNUMPDCJYAH-DLBZAZTESA-N 343.471 4.024 0 50 EIAA CN(CCc1ccc(Br)cc1)c1nccc2cnccc12 2325855397 XHBIWNDXQKCLRY-UHFFFAOYSA-N 342.240 4.071 0 50 EIAA O=C(/C=C/c1cccc2ccccc12)N1CCN(c2ccccc2)CC1 102976 RDQMYPNMNUPZNG-BUHFOSPRSA-N 342.442 4.202 0 50 EIAA COc1ccc(OC)c(NC(=O)c2cccc(Cl)c2Cl)c1 260822 AGXUBEKMNFLXPB-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA COc1ccc(/C=C(/C(=O)NCc2ccco2)c2ccccc2)cc1 302870 GGCRYPFWXKZLLP-XSFVSMFZSA-N 333.387 4.145 0 50 EIAA COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)cc3)n2)cc1 310876 DKMPKZLVZFPNDI-UHFFFAOYSA-N 340.358 4.120 0 50 EIAA O=C(COc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 319697 FVIMXSCBRNZFGF-UHFFFAOYSA-N 343.386 4.247 0 50 EIAA C=CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OCC)cc21 349918 FOAIJGUCZVWILH-UHFFFAOYSA-N 336.391 4.204 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC 618348 SNBOURSLBIDDOW-UHFFFAOYSA-N 349.814 4.398 0 50 EIAA CCCCOC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1 1753348 LOZQZJZMHJQPIM-UHFFFAOYSA-N 330.359 4.427 0 50 EIAA CCc1ccc(OCCCC(=O)Nc2cc(OC)ccc2OC)cc1 1773429 MEAMOHRGBKTJSA-UHFFFAOYSA-N 343.423 4.064 0 50 EIAA COc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C)cc1 1778332 IVGCANSUXYSOQB-UHFFFAOYSA-N 333.815 4.455 0 50 EIAA CC(C)C[C@@H](C)NC(=O)c1ccccc1C(=O)N[C@H](C)CC(C)C 2573390 CZQFDOWOGQWTSG-HZPDHXFCSA-N 332.488 4.015 0 50 EIAA CCOc1ccc([C@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3ncnn32)cc1 2870738 KMNZVUHMUWNSPV-VQTJNVASSA-N 348.450 4.440 0 50 EIAA CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 4025549 LMVLICSGVDWDSM-ZBJWQKIUSA-N 344.495 4.037 0 50 EIAA biogenic,in-vitro COc1ccccc1CNC(=O)Nc1cc(Cl)ccc1Cl 5042021 KHVIKWWIOZJIHQ-UHFFFAOYSA-N 325.195 4.324 0 50 EIAA CN(CCCC1CCCC1)Cc1nc(Cc2ccccc2F)no1 11815439 DEVYKRRMUBRQQC-UHFFFAOYSA-N 331.435 4.202 0 50 EIAA Fc1ccccc1Oc1ncccc1CNCc1nc2ccccc2[nH]1 15064395 HADMBFMOUYMASE-UHFFFAOYSA-N 348.381 4.179 0 50 EIAA COc1ccc([C@H](C)NC(=O)c2csc(C(C)C)c2)cc1OC 17068631 CFOHHPCLNMFUCJ-LBPRGKRZSA-N 333.453 4.380 0 50 EIAA Cc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1 55542896 DJHUDCXHLQWMDJ-UHFFFAOYSA-N 345.284 4.080 0 50 EIAA COc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCCO)CCC2 65398952 WUNAWCUGCILSAE-UHFFFAOYSA-N 348.446 4.097 0 50 EIAA CCOc1cccc(CN(Cc2ccnc(C(C)C)n2)C2CC2)c1 65451708 HZSXPMCMYVFTGZ-UHFFFAOYSA-N 325.456 4.163 0 50 EIAA CCCN(CCc1ccccc1)C(=O)c1cc(C(C)C)nn1CC 91932140 HOVKCCNLMMEHEB-UHFFFAOYSA-N 327.472 4.121 0 50 EIAA Cc1sc2nc([C@H](C)N3CCC[C@H](C(C)C)CC3)[nH]c(=O)c2c1C 170627033 VIXKSAZKHSYMDJ-ZFWWWQNUSA-N 347.528 4.421 0 50 EIAA CC[C@](C)(NC(=O)c1scnc1C1CCCC1)c1nccs1 184952173 RHWDCLGAWSFDLE-INIZCTEOSA-N 335.498 4.312 0 50 EIAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 257346589 VGIBLOMXKRYQHG-PJVNQZCDSA-N 330.468 4.140 0 50 EIAA CCc1ccc([C@@H]2CCCN2C(=O)c2cc(F)c(O)c(Cl)c2)o1 331814203 KTXVALFFLXNWOG-AWEZNQCLSA-N 337.778 4.317 0 50 EIAA COc1ccc(CCC(C)=O)cc1OCc1cccc2cccnc12 492533175 IPWFQVKTAYBXMD-UHFFFAOYSA-N 335.403 4.344 0 50 EIAA Cc1cccc(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccnc(O)c1 664961263 HLQIEEGZOANFGP-NVXWUHKLSA-N 339.439 4.012 0 50 EIAA Cc1[nH]nc(NC(=O)c2ccc(CC(C)C)s2)c1-c1cccnc1 829617636 VDPMCOXCVCAHRD-UHFFFAOYSA-N 340.452 4.292 0 50 EIAA Cc1cc(Oc2ccc(-c3nnco3)cc2)nc(-c2cccs2)n1 1306910409 GDIVEVSKTKEXLP-UHFFFAOYSA-N 336.376 4.356 0 50 EIAA O=C(Nc1cccc2ccccc12)N[C@@H](C[C@H]1CC=CCC1)C(=O)O 2325824200 SZZVTMACEVNCEI-KSSFIOAISA-N 338.407 4.161 0 50 EIAA CCC(CC)n1nc(-c2ccncc2)nc1[C@H]1CCN2CCC[C@H]2C1 2325849237 JFUYGZJKMWSMOF-WMZOPIPTSA-N 339.487 4.043 0 50 EIAA Clc1ccc(Cn2nnc(-c3ccccc3Cl)n2)cc1Cl 77416 ZWDILQUEQUOXOE-UHFFFAOYSA-N 339.613 4.349 0 50 EIAA COc1ccc(C)cc1NS(=O)(=O)c1ccc(CC(C)C)cc1 248922 WOOLMZVPYBXIHC-UHFFFAOYSA-N 333.453 4.003 0 50 EIAA COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1OC 260823 IESBOTYJWIYFCA-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C)c1 266057 UMXUAAPMQJGOFC-UHFFFAOYSA-N 339.420 4.084 0 50 EIAA O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc2ccccc2c1 407956 WHKFHPQCPXJVKS-UHFFFAOYSA-N 345.851 4.014 0 50 EIAA Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 452520 JQKVPPOQUBWAGC-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12 457646 CLYHSTKBWHUKBD-UHFFFAOYSA-N 334.371 4.008 0 50 EIAA COc1ccc(Cl)cc1-c1nnc(S)n1-c1ccc(C)cc1 467710 IOIRITUQZPYOAO-UHFFFAOYSA-N 331.828 4.193 0 50 EIAA CCN(CC)CCn1c(NCc2cccs2)nc2ccccc21 532368 HVVBHUJVAMEVSU-UHFFFAOYSA-N 328.485 4.052 0 50 EIAA Cc1cc2c3c(c1)[C@@]1(Nc4ccccc4CO1)C(=O)N3C(C)(C)C[C@H]2C 1063585 PIACQVUHEZGCDQ-PEBXRYMYSA-N 348.446 4.423 0 50 EIAA CCOC(=O)N[C@@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2141176 DJBVVKOPJRBXLL-VIFPVBQESA-N 347.025 4.161 0 50 EIAA Cc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(C)c(C)c3)n2)c1 2802920 OCHMMRRPWLGAGA-UHFFFAOYSA-N 349.434 4.406 0 50 EIAA O=C1Nc2ccccc2/C1=C/NCCc1ccc(Cl)cc1Cl 2914015 TVYZKPOJDMFACE-UVTDQMKNSA-N 333.218 4.119 0 50 EIAA Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3)n2)cc1 4821247 FGYPGPIXWLTKMJ-UHFFFAOYSA-N 349.459 4.491 0 50 EIAA CCOc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 8569286 NNITXUGLYOJSRO-UHFFFAOYSA-N 341.436 4.001 0 50 EIAA COCCN(C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 12459326 QAGVQJFZUHHBDQ-UHFFFAOYSA-N 349.478 4.234 0 50 EIAA Cc1ccc(Cn2nccc2NC(=O)c2ccccc2Cl)cc1 28403616 BJULRRLMISWIIY-UHFFFAOYSA-N 325.799 4.146 0 50 EIAA COc1ccc(CNc2nc(C(F)(F)F)nc3ccccc23)cc1 32544600 GDWDUJBWPLHXFL-UHFFFAOYSA-N 333.313 4.269 0 50 EIAA COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 36620496 FSBYAUNUMKLGHL-IBGZPJMESA-N 327.399 4.131 0 50 EIAA Cc1nn(C)cc1-c1ccnc(NCc2cccc(Cl)c2Cl)n1 48148172 IWJKERIEXBMBOM-UHFFFAOYSA-N 348.237 4.104 0 50 EIAA CC[C@H](C(=O)OC)C(CCN(C)C)(c1ccccc1)c1ccccc1 96026385 FGDAZJUFNBFRLP-HXUWFJFHSA-N 339.479 4.124 0 50 EIAA Cc1c(NC(=O)N(C)CCC[C@H]2CCCO2)cccc1-n1cccc1 96154105 GPPDSAVPICQNQU-KRWDZBQOSA-N 341.455 4.209 0 50 EIAA CCc1nc([C@@H](C)N(C)CC2(O)CCCC2)oc1-c1ccccc1 152007034 FBQVSQGVCAJDHE-OAHLLOKOSA-N 328.456 4.202 0 50 EIAA O=C(Nc1ncc(Cc2ccccc2)s1)N[C@@H]1C[C@@H]1c1ccccc1 170593187 ZKGYLYBJHATEHU-QZTJIDSGSA-N 349.459 4.412 0 50 EIAA CC[C@@H](CC(F)(F)F)NC(=O)c1cc(C(C)C)nc2onc(C)c12 170595307 GWUKTADAPDXAMN-JTQLQIEISA-N 343.349 4.115 0 50 EIAA CCc1ccc([C@@H]2CN(C(=O)Nc3ccc4[nH]ccc4c3)CCO2)cc1 192185664 CYYYKEWFNVAWNQ-FQEVSTJZSA-N 349.434 4.336 0 50 EIAA CCCC[C@H](C)C(=O)N1CCC(c2nccc(C(F)(F)F)n2)CC1 225703100 GYCIQVZZTQIYQQ-LBPRGKRZSA-N 343.393 4.028 0 50 EIAA CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 238854450 NSYDGUDPWKWHCJ-UHFFFAOYSA-N 334.416 4.284 0 50 EIAA CN(Cc1c[nH]nc1-c1ccccc1)Cc1cncn1C1CCCCC1 252492041 MBGZFAPZAAVICJ-UHFFFAOYSA-N 349.482 4.410 0 50 EIAA CCC(CC)n1nc(C(=O)N2CC[C@H]2c2ccccc2F)cc1C 252536744 JKOUTNZKOMSEFV-SFHVURJKSA-N 329.419 4.279 0 50 EIAA CCCNC(=O)OC[C@]12CO[C@H](c3ccco3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 252694891 RHJNFYSWNCBAHO-RVZUANDWSA-N 347.455 4.322 0 50 EIAA biogenic Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)c1ccccc1Cl 257365619 ZEDIJIINKPYJJO-XFHNUULXSA-N 347.890 4.119 0 50 EIAA CC(C)(C)[C@H](NC(=O)c1cncnc1)c1cccc(C(F)(F)F)c1 354763565 FVEOQKLRZLQXGK-CQSZACIVSA-N 337.345 4.013 0 50 EIAA Cc1cc(C(=O)Cn2cc(C3CCC3)cn2)c(C)n1CC(F)(F)F 655692762 TZZDWYXBMOTCCM-UHFFFAOYSA-N 339.361 4.014 0 50 EIAA CCSCc1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn12 1772491430 RACOFEBOWQCOON-UHFFFAOYSA-N 332.498 4.403 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCO[C@H]1c1cnn(C(C)C)c1 2325816666 RLZOFVHDHCKXNG-WBVHZDCISA-N 347.846 4.142 0 50 EIAA O=C(O)c1cc(-c2cccc(Br)c2)nc2ccccc12 35843 KBIDGMKRLPPRNG-UHFFFAOYSA-N 328.165 4.363 0 50 EIAA in-vitro COc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 439881 TUIPVPBUQLRZQG-UHFFFAOYSA-N 326.274 4.238 0 50 EIAA COc1cccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc12 450722 UUXYSYKYRFNEOE-UHFFFAOYSA-N 343.766 4.016 0 50 EIAA CCOc1cc(C(=O)NCc2ccccc2)cc(Cl)c1OCC 615161 JEDDDMYKYBFMHG-UHFFFAOYSA-N 333.815 4.067 0 50 EIAA CC1(C)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@]1(C)C(=O)O 2821200 VCVVCJOWADKOTC-HWPZZCPQSA-N 344.238 4.459 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 4841326 FKSMNKSERKTFJC-UHFFFAOYSA-N 346.430 4.307 0 50 EIAA C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COC1CCC(C(C)(C)C)CC1 5073593 WPYJHCPYGNYTGC-LWICZACBSA-N 325.537 4.232 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@H]1[C@H]3CCC[C@@]3(C)CC[C@H]12 36370828 JPOWGZUAPKSQIG-IPQNIRAVSA-N 334.500 4.322 0 50 EIAA COc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1 54960009 MNVDCQLMHFFYCU-UHFFFAOYSA-N 332.447 4.122 0 50 EIAA Cc1cccc(-c2ncc(CN(Cc3cncs3)C3CC3)cn2)c1 63884016 BKVNOWUEPQDYRU-UHFFFAOYSA-N 336.464 4.073 0 50 EIAA Oc1ccc(CN2CCC([C@@H](O)c3cccs3)CC2)c(Cl)c1 67691265 ZTCWZJWPPGVEDI-QGZVFWFLSA-N 337.872 4.053 0 50 EIAA COc1cccc(F)c1C(=O)N1CCC(Cc2ccccc2F)CC1 82107035 OBXCXJQFZMRYAT-UHFFFAOYSA-N 345.389 4.068 0 50 EIAA COC[C@H]1CCCN1C(=O)Nc1ccc(-c2ccc(OC)cc2)cc1 96151238 PGBGSELREWCEDK-GOSISDBHSA-N 340.423 4.005 0 50 EIAA Clc1ccc(-c2ccc(N3CCSCC3)nn2)c(Cl)c1 97347020 NJAIBGRKLGMKRS-UHFFFAOYSA-N 326.252 4.004 0 50 EIAA CC[C@@H](c1ccc(OC)cc1)N(C)C(=O)c1cccc(-c2ncc[nH]2)c1 97675454 DJIDGKFLYAOAGB-IBGZPJMESA-N 349.434 4.309 0 50 EIAA Cc1nc2ccccc2nc1CN1CCC[C@H]1c1cc(C(C)C)on1 215016688 HZMPTBXXNRJTML-IBGZPJMESA-N 336.439 4.387 0 50 EIAA CCc1cc(Cl)c(Cl)cc1OC(=O)CCCC(=O)NC(C)C 225442554 YHBSHRORTICBGY-UHFFFAOYSA-N 346.254 4.156 0 50 EIAA Cc1c(NCc2cc(-c3ccc(Cl)cc3)no2)cccc1C(N)=O 225451958 MUJMCMLJSLQJNL-UHFFFAOYSA-N 341.798 4.014 0 50 EIAA COc1cc(CN(C(=O)Nc2ccc(C)c(C)c2)C2CC2)ccc1O 225530608 UOROOZSFLNLQFY-UHFFFAOYSA-N 340.423 4.214 0 50 EIAA Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCc4ccccc43)c2)o1 266027471 BQEGOOGVXSZBGD-GOSISDBHSA-N 333.391 4.104 0 50 EIAA c1ncn(C2CCCCC2)c1CN(CC1CCC1)C[C@H]1CCCO1 299763514 WNJSMCCZEQJHHO-HXUWFJFHSA-N 331.504 4.169 0 50 EIAA CC[C@H]1CN(Cc2ccc(OC)c(O)c2)Cc2ccc(Cl)cc2O1 299798531 SVVNNBFKKOGYBM-INIZCTEOSA-N 347.842 4.227 0 50 EIAA Cc1ccc([C@@H](CNC(=O)c2sccc2C2CC2)N2CCCC2)o1 337724801 SJLJQNNMMYUQAX-MRXNPFEDSA-N 344.480 4.094 0 50 EIAA CC(C)(C)c1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)no1 377843901 SKYKQHFOKPVHIA-CQSZACIVSA-N 339.439 4.493 0 50 EIAA Cn1c(C(=O)N[C@H]2COC3(CCCCC3)C2)cc2cccc(Cl)c21 426574675 GEMFVYSJEQFSBQ-CQSZACIVSA-N 346.858 4.053 0 50 EIAA CC(C)n1cc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)nn1 925729682 KVBBXGCWIDHFJR-OAHLLOKOSA-N 346.438 4.347 0 50 EIAA Cc1sc(NC(=O)c2ccon2)nc1C12CC3CC(CC(C3)C1)C2 1940198446 VHYJYPZSWBOCOJ-UHFFFAOYSA-N 343.452 4.160 0 50 EIAA C[C@@H](SCCCn1ccnc1)c1nnc(-c2ccccc2F)s1 2325760014 BLOFZMNLBQCFSZ-GFCCVEGCSA-N 348.472 4.425 0 50 EIAA Cc1csc(N2CCC(NCc3coc4ccc(F)cc34)CC2)n1 2325783663 RCTPPWWXULLUBH-UHFFFAOYSA-N 345.443 4.095 0 50 EIAA CC(=O)c1cccc(Nc2ncnc3ccc(Br)cc23)c1 101741 RLLSKRHPNIUXLR-UHFFFAOYSA-N 342.196 4.339 0 50 EIAA CCOC(=O)c1cc(CC)sc1NC(=O)CSc1ccccc1 261748 WRNIMUCFXVYWCX-UHFFFAOYSA-N 349.477 4.218 0 50 EIAA COc1ccc(NC(=O)c2cccc(Cl)c2Cl)c(OC)c1 310468 SEYFCULRDNDWOJ-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Cc1c(C(=O)NC(=S)Nc2ccc(F)cc2)oc2ccccc12 454811 QFTVEXISHORZBT-UHFFFAOYSA-N 328.368 4.007 0 50 EIAA COc1ccc(/C=C/C(=O)NCc2ccc(F)cc2)c2ccccc12 2546455 MZBSGXKLWQUYMR-UKTHLTGXSA-N 335.378 4.317 0 50 EIAA CCCCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC 2699784 MQOMWTAKVTYDOZ-UHFFFAOYSA-N 341.407 4.139 0 50 EIAA O=C(O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1O 5063530 UJFUHPPYGMCREV-UHFFFAOYSA-N 330.340 4.097 0 50 EIAA CCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 5476684 YNQXUBMJZANRIO-SNVBAGLBSA-N 325.430 4.008 0 50 EIAA COC(=O)[C@@H](C)N(C(=O)CC1CCCCC1)c1c(C)cccc1C 6667444 SPXURWBDPLUQJY-MRXNPFEDSA-N 331.456 4.168 0 50 EIAA CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1c(C)cc(C)cc1C 12000632 JOTLPLUWOLHIRK-HNNXBMFYSA-N 329.469 4.220 0 50 EIAA Cc1ncsc1C(=O)N1CCC[C@H](CCc2cccc(F)c2)C1 12571349 NJCZPNRLXVPEFV-OAHLLOKOSA-N 332.444 4.076 0 50 EIAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CCC2)CC1 12715502 NCHHLKIAKLCZOJ-UHFFFAOYSA-N 335.875 4.080 0 50 EIAA CC1(C)C=Cc2c(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1 13130928 COLMVFWKLOZOOP-UHFFFAOYSA-N 336.343 4.055 0 50 EIAA endogenous,in-man CCOc1cccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)c1 14953487 LKKNAWQEOZMPDB-MRXNPFEDSA-N 335.451 4.430 0 50 EIAA Cc1ccc(-c2nc(CC(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 16577561 CIPUIOQVPLGBOU-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA C[C@H](Cc1cccnc1)n1ccnc1-c1cnc(-c2cccs2)nc1 71775491 FGKJAJPYZXPMHY-CQSZACIVSA-N 347.447 4.267 0 50 EIAA Cc1ccc2nc(C)c(C)c(C(=O)N(C)C3CCSCC3)c2c1 95511951 LYJJMHRTNPFPBV-UHFFFAOYSA-N 328.481 4.128 0 50 EIAA O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](C(F)(F)[C@H](F)C(F)(F)F)(C3)C1)C2 101750753 GLJDZZQQPFAEPQ-JCRMPLGGSA-N 330.268 4.193 0 50 EIAA Cc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)ns1 110381607 VVSORZAXRQZAEM-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA O=C(NOCc1ccc(F)cc1)Nc1ccccc1C(F)(F)F 170594786 YCUVOQUILZBGKK-UHFFFAOYSA-N 328.265 4.098 0 50 EIAA CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc3sncc3c2)C1 170609540 ZSSCLGOPEOEKRM-GXTWGEPZSA-N 335.498 4.482 0 50 EIAA Cc1ccc(NC(=O)NC2CCN(C3CCCCC3)CC2)c(F)c1 176261838 VTUREAPCBYIHNL-UHFFFAOYSA-N 333.451 4.053 0 50 EIAA COc1ccc(Cl)c(NC(=O)c2nn(-c3ccccc3)cc2C)c1 185383298 HAINQCLWXRHHBE-UHFFFAOYSA-N 341.798 4.095 0 50 EIAA CCc1nnc(CN[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)o1 253417240 CMTHNOUOBAIFOH-UONOGXRCSA-N 339.361 4.077 0 50 EIAA Cc1cnc(C2CCN(C(=O)c3ccc(C(C)C)cc3O)CC2)s1 277949551 IKFFEWAZPYRLNF-UHFFFAOYSA-N 344.480 4.300 0 50 EIAA Fc1ccc2c(c1)CN(Cc1nc(-c3cccc(Cl)c3)no1)CC2 441062518 YWXUBXFWHJVLQN-UHFFFAOYSA-N 343.789 4.087 0 50 EIAA O=C(Nc1nc(C2CCC2)cs1)N[C@@H]1CCOc2ccccc21 669563398 XTHHVQBQGHMPRB-CYBMUJFWSA-N 329.425 4.056 0 50 EIAA CC(=O)Nc1ccc2nc(CN3CC4C[C@H]5CC3C[C@@H](C4)C5)ccc2c1 670452953 OGPBKXLILLSDPJ-FAQHILDVSA-N 349.478 4.204 0 50 EIAA Cc1nc(CN2Cc3c[nH]nc3[C@@H](C)C2)oc1-c1ccc(Cl)cc1 931459259 NFMMMPPWDKERGX-NSHDSACASA-N 342.830 4.146 0 50 EIAA COc1ccccc1-c1ccc(N2C[C@H](C)C[C@H]2c2cccnc2)nn1 1354155522 FXRPHMOYAOJQEW-BEFAXECRSA-N 346.434 4.135 0 50 EIAA CCc1cccc(C)c1NC(=O)N1CCC[C@]2(CCC[C@H]2OC)C1 1704299734 RJBWUZIOFOOVQL-YLJYHZDGSA-N 330.472 4.370 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(CC1=Cc3cc(Cl)ccc3OC1)C2 1704300652 YDFRGTXMXSOHQB-WOJBJXKFSA-N 347.886 4.397 0 50 EIAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cncnc2)CC1 1875337377 YMUBGZODPUTGNK-KOMQPUFPSA-N 341.480 4.077 0 50 EIAA O=C(COc1ccccc1Cl)Nc1cccc(Br)c1 94364 AFUDZYILWWKCPS-UHFFFAOYSA-N 340.604 4.120 0 50 EIAA O=Cc1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 170155 QAONKFBVSURDOH-UHFFFAOYSA-N 328.340 4.378 0 50 EIAA Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(/C=C/C(=O)O)c1 194754 QVKIOAOYTMVPNK-CMDGGOBGSA-N 327.380 4.236 0 50 EIAA COc1ccc(CN[C@H]2CC(C)(C)OC[C@H]2Cc2ccccc2)cc1 197366 YXAXNNGFZSMSET-CTNGQTDRSA-N 339.479 4.211 0 50 EIAA COc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3)n2)cc1 270577 CHKHVFJQDXHKOI-UHFFFAOYSA-N 341.802 4.329 0 50 EIAA biogenic COc1ccccc1NC(=O)CCSc1nc2ccccc2s1 386106 BDTGZBVYRLGRCU-UHFFFAOYSA-N 344.461 4.426 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cn1 465257 VBYYBXDZKLOTCZ-QMMMGPOBSA-N 345.613 4.448 0 50 EIAA CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 1745229 ZXCNBPBAEBSWRS-HNNXBMFYSA-N 343.423 4.280 0 50 EIAA CCCCOc1cccc(C(=O)Oc2cc(=O)oc3ccccc23)c1 2137220 RWWKXTWXHURYLB-UHFFFAOYSA-N 338.359 4.191 0 50 EIAA biogenic Cc1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1 2334531 QVIQXEQRPXVTOB-UHFFFAOYSA-N 345.442 4.322 0 50 EIAA NCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 2570474 IRXOHINXQUNLTD-UHFFFAOYSA-N 338.451 4.044 0 50 EIAA biogenic,in-vitro COc1cc(/C=C/C(=O)N[C@@H](C)CCCC(C)C)cc(OC)c1OC 2988325 CGJRJQRPRDNBDC-NKSUMMKUSA-N 349.471 4.057 0 50 EIAA Brc1ccc(OCCOc2cccc3cccnc23)cc1 2991391 KEPHFKKHUVFTPQ-UHFFFAOYSA-N 344.208 4.455 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(C)cc1C 7759946 FGLSRGGMLTXWPZ-UHFFFAOYSA-N 349.434 4.324 0 50 EIAA Cc1cc(S[C@@H](C)C(=O)Nc2cccc(O)c2)nc2ccccc12 11907450 IYIDETBFUCKOBN-ZDUSSCGKSA-N 338.432 4.368 0 50 EIAA O=C(C[C@@H](c1cccc(O)c1)c1ccccc1Cl)N1CCCC1 12300863 SVVQUQPLYIDULK-KRWDZBQOSA-N 329.827 4.190 0 50 EIAA Cc1ccc(OCc2nnc(NC(=O)Nc3ccccc3)s2)cc1 13548713 DORHPQIPWYHGLL-UHFFFAOYSA-N 340.408 4.070 0 50 EIAA Cc1nc2ccc(Cl)cn2c1CN(Cc1ccccn1)CC(C)C 63855390 SGOHXLCXKAQPII-UHFFFAOYSA-N 342.874 4.349 0 50 EIAA O=C(c1ccc([C@@H]2CCNC2)cc1)N(Cc1ccccc1)CC1CCC1 72125396 GUMTZAPMQJAIKM-JOCHJYFZSA-N 348.490 4.206 0 50 EIAA Cc1ccc(Cl)c(CN2CC[C@H](c3ccccc3C(=O)O)C2)c1F 72128344 IVWALQNRGVLSAC-ZDUSSCGKSA-N 347.817 4.475 0 50 EIAA c1coc(-c2cc(Cn3ccnc3-c3ccnc4ccccc34)no2)c1 77394271 IWBGJPPRSAUWEQ-UHFFFAOYSA-N 342.358 4.395 0 50 EIAA O=C(c1ccc(-n2ccnc2)nc1)N1CCCCC[C@H]1c1ccccc1 133475914 REKAKLFAYDEBQD-IBGZPJMESA-N 346.434 4.025 0 50 EIAA CC[C@@H](NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)c1ccncc1 170611088 DIWMRKDGQNEQDU-KGLIPLIRSA-N 343.393 4.153 0 50 EIAA O=C(c1ccc(Cl)s1)N1CCC[C@@H]1C[C@H](O)c1cccs1 176224203 BDBDIFWJGBUZGN-MNOVXSKESA-N 341.885 4.191 0 50 EIAA COc1ccc(C)cc1NC1CCC2(CC1)C(=O)Nc1ccccc12 182520907 KKTFMCNJWJTSEC-UHFFFAOYSA-N 336.435 4.248 0 50 EIAA CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1(C)C 241738588 QYUAOULWNVCYBT-GSEOLPGOSA-N 340.511 4.177 0 50 EIAA C[C@H](Oc1ccc(C(=O)NCCc2cccnc2)cc1)c1ccccc1 252485679 HBPHUHJCFDBCFT-KRWDZBQOSA-N 346.430 4.194 0 50 EIAA O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)cn1 253401722 FUVAJSHPHSQQDC-INIZCTEOSA-N 325.799 4.155 0 50 EIAA O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCc2ccc(F)cc21 357477199 PSYPZWHWNJHHRE-FQEVSTJZSA-N 336.410 4.433 0 50 EIAA CC1(C)Cc2occc2[C@@H](NC[C@H](CO)Cc2ccc(F)c(F)c2)C1 357848225 JXTHTNDHQBSMNS-KDOFPFPSSA-N 349.421 4.012 0 50 EIAA O=C(Nc1cccc(Oc2cccnn2)c1)c1cncc2ccccc12 359331617 KJYDFHYGQXCKMC-UHFFFAOYSA-N 342.358 4.069 0 50 EIAA Cc1[nH]nc(C2CC2)c1-c1ccc(C(=O)N(C)Cc2ccoc2)cc1 534635550 BESLJERCPZQDLD-UHFFFAOYSA-N 335.407 4.128 0 50 EIAA CC[C@@H](c1ccccn1)N(C)Cc1cc(O)c2cccc(F)c2n1 1506412359 XRJPBORUHBUDFR-KRWDZBQOSA-N 325.387 4.058 0 50 EIAA Cc1cc(Cl)cc(-c2cnc3ccccn23)c1OC1CCNCC1 1875330183 RKBNVLUSQQNPIJ-UHFFFAOYSA-N 341.842 4.094 0 50 EIAA O=C1[C@@H]2CCCCC[C@H]2C(=O)N1Cc1ccc(C2CCCC2)cc1 2325864310 LXPGUYIKXPBWLL-RTBURBONSA-N 325.452 4.410 0 50 EIAA O=C(/C=C/c1ccco1)Nc1ccc(Br)c(Cl)c1 45890 OQFXOQCWZNEYID-GQCTYLIASA-N 326.577 4.347 0 50 EIAA Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)s1 175684 VNIGZWKVBUFDBO-UHFFFAOYSA-N 329.812 4.298 0 50 EIAA O=C(Nc1ccccc1Nc1ccccc1)[C@H]1CCCC[C@H]1C(=O)O 207895 LFBDRDBSOCWZDH-JKSUJKDBSA-N 338.407 4.260 0 50 EIAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1 207907 LFBDRDBSOCWZDH-CVEARBPZSA-N 338.407 4.260 0 50 EIAA COC(=O)c1sccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 253752 KKQMABIOYQQXFZ-UHFFFAOYSA-N 345.207 4.486 0 50 EIAA aggregator CCCCN(CCCC)C[C@@H](O)COc1ccc2ccccc2c1 2665518 UVHTXGIKEBXGSW-HXUWFJFHSA-N 329.484 4.482 0 50 EIAA Cc1cc(Cl)ccc1OCC(=O)NCC12CC3CC(CC(C3)C1)C2 4653265 YFFKBDVPNYOVNI-UHFFFAOYSA-N 347.886 4.360 0 50 EIAA COc1cc(C)ccc1OCCCCOc1ccccc1C(C)=O 4701917 GSYLJBMVIWANLI-UHFFFAOYSA-N 328.408 4.444 0 50 EIAA CCc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9063469 QFBIZUUHOXSCKT-UHFFFAOYSA-N 340.442 4.239 0 50 EIAA COc1cccc2c(C)cc(SCC(=O)Nc3ccccc3)nc12 11907532 KZOVCQJIKZVDPT-UHFFFAOYSA-N 338.432 4.283 0 50 EIAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccc1 12654137 IPDPNJWKXNAZLI-UHFFFAOYSA-N 342.786 4.054 0 50 EIAA CCC(=O)Nc1ccc(C)c(NC(=O)CCc2c[nH]c3ccccc23)c1 46792895 GDXDHOMHVLSYED-UHFFFAOYSA-N 349.434 4.396 0 50 EIAA Cc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)cc1C 55244619 RJFZFQZBOSWRHZ-UHFFFAOYSA-N 338.451 4.392 0 50 EIAA CCCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(C(=O)O)cc1 65504696 PHDKHNKTYMCBIO-QGZVFWFLSA-N 339.391 4.038 0 50 EIAA CCn1ncc(CN2CCCC[C@@H]2c2ccc(CN(C)C)cc2)c1C 72476582 YURSXPWFWHCPAK-OAQYLSRUSA-N 340.515 4.000 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cs1 91319722 XHHCBMDFPDHYRC-QGZVFWFLSA-N 329.465 4.390 0 50 EIAA C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1nc(C2CCCCC2)no1 127282327 WXDFZQKTGAJHSV-ZIAGYGMSSA-N 327.428 4.098 0 50 EIAA C[C@@H](C(=O)N(C)Cc1cccc(N(C)C)c1)c1cc2ccccc2o1 156239566 VVUDRKYPGYQFHI-OAHLLOKOSA-N 336.435 4.261 0 50 EIAA COc1cccc(N[C@H](CNC(=O)Nc2ccccc2)C(C)(C)C)c1 170600335 MGEHDCQCAYFKLM-GOSISDBHSA-N 341.455 4.344 0 50 EIAA O=C(N[C@H]1CCCOc2cc(F)ccc21)N[C@H]1CCCc2occc21 180314160 GALHSZDLTXHLRO-HOTGVXAUSA-N 344.386 4.009 0 50 EIAA c1ccc(Oc2ccc(-c3noc([C@H]4CC45CCOCC5)n3)cn2)cc1 252480701 CDPSIVUVOLYRIJ-MRXNPFEDSA-N 349.390 4.208 0 50 EIAA Cc1cccc(C)c1NC(=O)c1nc(C)n(-c2cccc(Cl)c2)n1 261490608 NZDBSXRXDZMQQF-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA CN(Cc1ccc2cn[nH]c2c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273510735 QXAKRJUXUJCLIM-QUCCMNQESA-N 339.414 4.054 0 50 EIAA CC(C)c1nc([C@H]2CCCN2Cc2c(Cl)cncc2Cl)no1 876664646 XUQWJZWBYIWHOX-CYBMUJFWSA-N 341.242 4.232 0 50 EIAA O=C(Nc1cccc2ncccc12)c1cc2ccccc2c(=O)s1 888090510 DYBYLGKETBBQBS-UHFFFAOYSA-N 332.384 4.062 0 50 EIAA C[C@@H](NCc1cc(O)cc(Cl)c1)c1ccc(N2CCCC2=O)cc1 892678367 FPFVSPVENGWHGD-CYBMUJFWSA-N 344.842 4.023 0 50 EIAA FC(F)Cn1cc(NCc2nc(C3CCCCC3)cs2)cn1 902084833 YPHVTTPLQDLCPK-UHFFFAOYSA-N 326.416 4.265 0 50 EIAA CC(C)c1nsc(CN(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)n1 930635092 YRXUBMUASWNNQT-SNVBAGLBSA-N 349.891 4.384 0 50 EIAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1ccc(F)cc1 1776004133 KUWYADQLZQVFSF-UHFFFAOYSA-N 335.183 4.209 0 50 EIAA CN(Cc1ncc(Cl)cc1Cl)c1nc2ccc(F)cc2n1C 1875331893 YOYUDMRVKYDASQ-UHFFFAOYSA-N 339.201 4.051 0 50 EIAA CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OC 178206 DDDONTSVHFXOQR-UHFFFAOYSA-N 338.359 4.068 0 50 EIAA biogenic CCOc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 318886 OUJDNJCBABZZNY-UHFFFAOYSA-N 333.815 4.373 0 50 EIAA Cc1cc(O[C@@H](C)C(=O)N2CCCc3ccccc32)ccc1Cl 371530 ITZYZMWYWBQTEI-AWEZNQCLSA-N 329.827 4.395 0 50 EIAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 450433 WIUHFQYMRLVZIC-SECBINFHSA-N 326.179 4.105 0 50 EIAA CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 470360 YICCKAFAKNNLNB-AWEZNQCLSA-N 343.448 4.291 0 50 EIAA Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl 1079431 DKWNEONFAFAUMT-UHFFFAOYSA-N 329.827 4.335 0 50 EIAA COc1cc(C=O)ccc1OCCCOc1ccccc1C(C)C 2984113 BYINBFMRBBBMOL-UHFFFAOYSA-N 328.408 4.479 0 50 EIAA O=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1F 20457683 FFUZTPBNAOIHMX-UHFFFAOYSA-N 327.186 4.497 0 50 EIAA O=C(Nc1ccccc1N1CCCC1)c1ccc([C@H]2CCCN2)s1 23251725 PNEWWBDQOIKFBO-OAHLLOKOSA-N 341.480 4.025 0 50 EIAA COCCN(Cc1ccc(O)c(Cl)c1)Cc1sccc1C 55393408 WGBGIWVQPHGXIY-UHFFFAOYSA-N 325.861 4.064 0 50 EIAA Cc1ncsc1CCCNC(=O)CC12CC3CC(CC(C3)C1)C2 91755443 RIEAUTVIXHTFQC-UHFFFAOYSA-N 332.513 4.107 0 50 EIAA O=C(c1ccc2cccc(F)c2n1)N1CCCC[C@@H]1c1cccnc1 91931586 JSERMHBVDBOQKX-GOSISDBHSA-N 335.382 4.136 0 50 EIAA CCOc1cccc(CNc2n[nH]c3ccccc23)c1OC(F)F 170609073 RTAJMTIIBSPKDB-UHFFFAOYSA-N 333.338 4.175 0 50 EIAA COc1cccc2sc(NC(=O)[C@@H](c3ccncc3)C(C)C)nc12 225747996 BNIMJOYGNUCGMT-OAHLLOKOSA-N 341.436 4.078 0 50 EIAA COC(=O)c1c(Cl)ccc2cnn(CCCc3ccccc3)c12 252509434 YNUSDMRCZDEEQN-UHFFFAOYSA-N 328.799 4.109 0 50 EIAA Cc1csc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c1Cl 253430015 JKZJKESSERRPTK-NEPJUHHUSA-N 339.844 4.031 0 50 EIAA CN[C@H](C)Cc1noc(-c2sc3cc(Cl)ccc3c2Cl)n1 261871720 VINFBGNABZQIOP-SSDOTTSWSA-N 342.251 4.409 0 50 EIAA CC[C@@H](Nc1ncnc2sc(C(=O)O)c(C)c12)c1cccs1 299765490 NQZIUKMNUKRTFX-SECBINFHSA-N 333.438 4.323 0 50 EIAA Cc1cccc(NC(=O)CC(=O)N2CCCCC[C@H]2c2ccco2)c1 1506414718 RGHUTBDZAWATBP-KRWDZBQOSA-N 340.423 4.061 0 50 EIAA c1ccc(CCN(CC[C@H]2CCc3ccccc32)[C@H]2CCOC2)cc1 1875345489 ZDUFKZFATYGOGY-YADHBBJMSA-N 335.491 4.440 0 50 EIAA CC(=O)N1Cc2ccc(NCc3c(C)ccc4cccnc34)cc2C1 2325853770 AVINMCOPEXLVNI-UHFFFAOYSA-N 331.419 4.017 0 50 EIAA CCc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 37912 CQNUZRHSIXJGLD-UHFFFAOYSA-N 348.240 4.337 0 50 EIAA Cc1ccc(OC[C@H](O)CN(Cc2ccccc2)c2ccccc2)cc1 72611 GNHTUHAKLRCKBW-JOCHJYFZSA-N 347.458 4.442 0 50 EIAA COc1ccc(NC(=O)c2c(NC(=O)C(C)C)sc(C)c2C)cc1 284130 FUUOKJCGSRIILH-UHFFFAOYSA-N 346.452 4.220 0 50 EIAA Cc1c(Br)cccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 409458 RNOVAHXPFCDWLS-KBPBESRZSA-N 330.225 4.500 0 50 EIAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(F)c1 459554 LCPLYTOLRZSZRC-UHFFFAOYSA-N 346.365 4.120 0 50 EIAA FC(F)(F)c1cccc(-n2c(S)nnc2-c2cccs2)c1 615122 CGPYBQJSMCOZNH-UHFFFAOYSA-N 327.356 4.303 0 50 EIAA C[C@H]1CCCCN1CCCNC(=O)Nc1cccc(Cl)c1Cl 2171974 XGLKWQDIKWHKBO-LBPRGKRZSA-N 344.286 4.379 0 50 EIAA CCN(CCOC(=O)Nc1ccc(SC)cc1)c1ccccc1 2172885 UJWPHFHQYICNSW-UHFFFAOYSA-N 330.453 4.484 0 50 EIAA CC(NC(=O)NCCC1=CCCCC1)(C(F)(F)F)C(F)(F)F 3613217 SRHUBBOHZZPAIW-UHFFFAOYSA-N 332.288 4.059 0 50 EIAA Oc1nc(/C=C/c2ccc(Br)cc2)cc(C(F)(F)F)n1 4147219 VTCNXOYHQZLWND-ZZXKWVIFSA-N 345.118 4.134 0 50 EIAA CC(=O)CCc1ccc(OCCOc2cccc3cccnc23)cc1 4843055 RDSQEGIVFXCMPH-UHFFFAOYSA-N 335.403 4.214 0 50 EIAA COc1ccc(/C=C/C2=CCN(C[C@@H](O)c3ccccc3)CC2)cc1 4990292 PFGACNCYPUZIOS-VQKOGROQSA-N 335.447 4.074 0 50 EIAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccncc3)c2c1 6401279 FFNZJNOOHLTNHZ-UHFFFAOYSA-N 340.386 4.253 0 50 EIAA O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1cccc(F)c1 6700441 NCTXNVMASQVKOA-UHFFFAOYSA-N 327.403 4.456 0 50 EIAA Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)sc2ncccc12 9295622 DHLCOSMTBLRYCU-UHFFFAOYSA-N 338.219 4.438 0 50 EIAA O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1C[C@H]1CCCO1 12561359 DNORKYIRALUIAA-QAPCUYQASA-N 342.826 4.086 0 50 EIAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3nonc3C)oc2c1C 12716036 XGEHAHXTQRRHTO-HNNXBMFYSA-N 339.395 4.027 0 50 EIAA O=C(NCc1cccc(Cl)c1)Nc1ccccc1Br 13745688 UKWIRVDZYOCWPD-UHFFFAOYSA-N 339.620 4.424 0 50 EIAA Cc1ccc(NC(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)cc1 14965658 MIVOPIIXYIWNJE-SFHVURJKSA-N 327.403 4.243 0 50 EIAA COc1cc(CNCCc2ccc(Cl)cc2Cl)cc(OC)c1 19720762 FXVCMKXBYNUPKA-UHFFFAOYSA-N 340.250 4.343 0 50 EIAA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccsc1)SCC(=O)N2 21523905 MJSBEVWMENCDMG-MRXNPFEDSA-N 341.461 4.017 0 50 EIAA O=c1c2ccccc2nc(/C=C\c2ccccc2)n1-c1ccc(O)cc1 32625320 UODHAIKICSVODS-GDNBJRDFSA-N 340.382 4.262 0 50 EIAA Cc1ccnc(C[C@@H](C)N(C)Cc2cccc(Oc3ncccn3)c2)c1 55035871 GXAHGHLOOPHRHM-QGZVFWFLSA-N 348.450 4.035 0 50 EIAA Cn1c(CNC(c2ccccc2)c2ccccc2)nc2ccccc21 55439703 HUKYEIDUCACTTD-UHFFFAOYSA-N 327.431 4.453 0 50 EIAA CCn1cncc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C 65410842 CLWWQGGTUGRBES-UHFFFAOYSA-N 347.422 4.087 0 50 EIAA O=C(c1[nH]c2ccccc2c1Cl)N(Cc1ccncc1)C1CC1 67660653 ZVSGBWRTCBRMDA-UHFFFAOYSA-N 325.799 4.021 0 50 EIAA CC[C@H](c1ccccc1)N(C)C(=O)c1cc(COc2ccccc2)[nH]n1 67804436 PIFSDRRDTPITQG-HXUWFJFHSA-N 349.434 4.212 0 50 EIAA COc1ccccc1-c1ccc(N[C@H](C)c2nc(C)cs2)nn1 67820900 UGPXYKLQBQZMQT-GFCCVEGCSA-N 326.425 4.090 0 50 EIAA COC(=O)c1ccc(-c2ccc(C(=O)OC)c(Cl)c2)cc1Cl 74938332 LAFFMQZEZWDTBZ-UHFFFAOYSA-N 339.174 4.234 0 50 EIAA in-vitro CC(C)(C)c1cc(Br)ccc1I 79387421 JBPXSNMLRUWXHK-UHFFFAOYSA-N 339.014 4.351 0 50 EIAA CN(C)c1ccccc1C(=O)N1CCCC[C@H]1CCc1cccs1 82106865 RWDYGKHTRVEKPP-INIZCTEOSA-N 342.508 4.442 0 50 EIAA COc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3cccnc3)oc2c1 91625617 FRVNMFYIDANITE-QGZVFWFLSA-N 336.391 4.122 0 50 EIAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 95374309 JVUSTMGPYWROST-QGZVFWFLSA-N 348.450 4.032 0 50 EIAA O=C(C[C@H]1CCc2ccccc21)NC[C@@H](O)c1ccc2ccccc2c1 115712833 YZCPHMAEIFYTLF-DENIHFKCSA-N 345.442 4.110 0 50 EIAA COc1cccc([C@@H]2CCCN2Cc2cc(CN(C)C)cs2)c1 215409175 WGYRJHAHDNXZBT-IBGZPJMESA-N 330.497 4.155 0 50 EIAA Cc1n[nH]c(-c2ccccc2)c1NC(=O)COc1cccc(Cl)c1 225416621 KNBMBXZMHJKIMR-UHFFFAOYSA-N 341.798 4.056 0 50 EIAA CN1C[C@@H](C(=O)Nc2scnc2-c2ccccc2)Cc2ccccc21 241383244 MTQQKSFSIDTXPU-INIZCTEOSA-N 349.459 4.057 0 50 EIAA Nc1c(F)cc(Cl)cc1C(=O)N1CC=C(c2cccs2)CC1 253418670 VGPKGRHVQSAYSY-UHFFFAOYSA-N 336.819 4.052 0 50 EIAA Cc1csc(C(=O)N2CCSC[C@H]2c2nccs2)c1Cl 277038473 MBKFSELKAJLYSI-VIFPVBQESA-N 344.914 4.097 0 50 EIAA Cc1cccc([C@@H](NC(=O)CCCc2c[nH]c3ccccc23)C2CC2)n1 299791511 DZBFMVOPTOEKQD-QFIPXVFZSA-N 347.462 4.462 0 50 EIAA COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3cc[nH]c3n2)cc1 329265178 FEGXJMDIICCGTN-LJQANCHMSA-N 349.434 4.329 0 50 EIAA C[C@@H]1CC(c2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)C[C@@H](C)C1 329566295 HLJMFMJJCJBRSD-MGBSGCIJSA-N 327.428 4.250 0 50 EIAA CCn1ncc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1C(F)(F)F 333032519 AVCFTQXDXKAVNG-IJLUTSLNSA-N 344.381 4.012 0 50 EIAA O=C([C@@H]1OCCc2ccccc21)N1CCC[C@H](c2ccccc2)CC1 441813146 LQWINRFUJOMNHC-GHTZIAJQSA-N 335.447 4.097 0 50 EIAA COc1ccc(/C=C/CN[C@H]2CCCN(Cc3cccs3)C2)cc1 952964622 OKPTUNQPPQDYOT-SRSGJAESSA-N 342.508 4.024 0 50 EIAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)C2(c3ccccc3)CC2)c1 952989007 BNBQIBMEWFVQNJ-NRFANRHFSA-N 349.474 4.234 0 50 EIAA O=C(O)c1c(N2CC[C@@H]3CCCC[C@H]3C2)noc1-c1ccccc1 1704325795 RWOMHNSODSXOEK-ZFWWWQNUSA-N 326.396 4.056 0 50 EIAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Cc1ccc3ccccc3c1)C2 1704343842 FSZZWDQTPQWOJT-IRLDBZIGSA-N 337.463 4.190 0 50 EIAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2cc(F)cc(F)c2)no1 1875259458 YXCBEEBTWAOXFR-QMMMGPOBSA-N 337.713 4.203 0 50 EIAA c1cc([C@@H]2CC23CCC3)ccc1-c1ccc(CN2CCNCC2)s1 1875304830 WKLZLQGQQQUYJA-IBGZPJMESA-N 338.520 4.478 0 50 EIAA CC[C@H](NC(=O)C[C@](C)(O)c1ccccc1)c1cccc2cc[nH]c12 1875320315 PCHRGARDVPPVNW-RXVVDRJESA-N 336.435 4.033 0 50 EIAA Cc1c(NC(=O)c2ccc(-c3cccnc3)s2)cnn1CC(C)C 2325717627 KXTVQTNWKOOLLT-UHFFFAOYSA-N 340.452 4.223 0 50 EIAA COc1cccc(CN2CCC(Cc3ccccc3)CC2)c1OC 200866 ICSWXCWGYZOWJM-UHFFFAOYSA-N 325.452 4.159 0 50 EIAA O=C(OCc1cc(-c2ccccc2)no1)c1ccc2ccccc2n1 2201109 MGSHLXFZOSPXKQ-UHFFFAOYSA-N 330.343 4.247 0 50 EIAA CCOC(=O)c1cc(CC)sc1NC(=O)c1csc(CC)c1 2735878 LGVPPWKTUVWPNG-UHFFFAOYSA-N 337.466 4.363 0 50 EIAA CCOCCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 2880688 LDSAACXZJNHWCV-UHFFFAOYSA-N 343.492 4.444 0 50 EIAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4081723 FRQMUZJSZHZSGN-FBGUWHDQSA-N 344.495 4.084 0 50 EIAA biogenic O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC=CC[C@H]1C(=O)O 4162387 APCNZIHYKUFRNY-JKSUJKDBSA-N 335.359 4.192 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 4814892 PAQFCJIVPCQROI-UHFFFAOYSA-N 327.858 4.171 0 50 EIAA O=C(NCc1nc(-c2ccccc2)no1)Nc1cccc2ccccc12 6730420 TUKPHGCLIWULLY-UHFFFAOYSA-N 344.374 4.212 0 50 EIAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cn1 6823127 IIMNVOMPYFKCCU-UHFFFAOYSA-N 330.815 4.020 0 50 EIAA Cc1sc(NC(=O)Cc2ccccc2F)nc1-c1ccccc1 7800084 RMFSBANEJJXFLL-UHFFFAOYSA-N 326.396 4.439 0 50 EIAA C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 11024004 CUZYYBBWGOTCTF-SKOKVVANSA-N 343.442 4.279 0 50 EIAA Fc1cccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)c1F 12321975 PKEXYPVCJHITSR-MDZDMXLPSA-N 340.358 4.301 0 50 EIAA O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(s1)CCCCC2 13327552 CBOROWGBMMAACS-UHFFFAOYSA-N 329.421 4.041 0 50 EIAA CCc1c(C)sc2[nH]c(=S)n(CCc3ccccc3)c(=O)c12 17067874 YNHAFCKOVSIQNU-UHFFFAOYSA-N 330.478 4.234 0 50 EIAA CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1 22309494 OTKUTGIVEREJLL-UHFFFAOYSA-N 326.827 4.191 0 50 EIAA in-vitro CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H]2Cc3c(C)cccc3C[C@H]21 27638841 OLMBOBKKGZYZNU-MGFHSNFOSA-N 330.512 4.428 0 50 EIAA in-vitro O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]1c1ccccn1 55523618 ISJXTXQGXVMNOI-SFHVURJKSA-N 349.459 4.106 0 50 EIAA COc1cccc([C@@H](C)NC(=O)c2cc(C)nc3cc(F)ccc23)c1 82114415 UNZWDXWSVRDQTE-CYBMUJFWSA-N 338.382 4.182 0 50 EIAA CCCCN(Cc1cccnc1)C(=O)c1c[nH]nc1C1CCCCC1 97475448 SRQOVPCEIPYCBF-UHFFFAOYSA-N 340.471 4.295 0 50 EIAA Cc1cncc(CCC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1 292373989 GVSVFUPGILHZTE-UHFFFAOYSA-N 349.261 4.214 0 50 EIAA Cc1nc(-c2cccc(C(=O)N3CCCC[C@H]3c3ccccn3)c2)c[nH]1 299774717 HZJJCZARXGSBJQ-FQEVSTJZSA-N 346.434 4.148 0 50 EIAA Cc1noc(C)c1-c1cccc(C(=O)N(C)[C@@H](C)c2nccs2)c1 299781720 LTIUKOJGFJNODP-LBPRGKRZSA-N 341.436 4.248 0 50 EIAA COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)C(F)F)c1 328587429 QOZOEZCARCYPMK-SJORKVTESA-N 331.362 4.018 0 50 EIAA Cc1cccnc1[C@@H]1CCC[C@@H](Nc2cccc(C[S@@](C)=O)c2)C1 390834473 ZMKSZCBQXQCCAS-ROMRWMGNSA-N 342.508 4.407 0 50 EIAA CSCc1cccnc1C(=O)Nc1c(F)cc(Cl)c(C)c1F 464396855 KCPSGFQKUROZCP-UHFFFAOYSA-N 342.798 4.437 0 50 EIAA Cc1cc(C)c2nccc(-c3ccc(C(=O)N[C@H]4CCOC4)cc3)c2c1 534665534 FOCBSNRBWLGZIO-SFHVURJKSA-N 346.430 4.037 0 50 EIAA Nc1cc(CC(=O)O)ccc1N(Cc1ccccc1)Cc1ccccc1 675067571 JFBDNMWIBUYKFJ-UHFFFAOYSA-N 346.430 4.103 0 50 EIAA CC(C)c1csc(CNC2CCN(Cc3cccs3)CC2)n1 952967826 LTVLTUVSFHUHRV-UHFFFAOYSA-N 335.542 4.082 0 50 EIAA COc1ccc(CN2C[C@@H]3C[C@@]3(C)C2)cc1OCc1ccccc1F 1772814483 BQYGVLSVQRUCAG-UWJYYQICSA-N 341.426 4.255 0 50 EIAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)OCc1cccnc1 2325706776 FILIXSYTGBBSAQ-JLHYYAGUSA-N 345.398 4.417 0 50 EIAA O[C@H](CNCc1cccc2ccsc12)Cc1ccc(Cl)cc1 2325870071 IIKJWZHBLBINFI-KRWDZBQOSA-N 331.868 4.248 0 50 EIAA CC[C@@H](C)[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O 237086 YCUGYQJADWATHB-IAQYHMDHSA-N 341.436 4.270 0 50 EIAA CC(C)c1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 313403 UFIWDBFTDASEQJ-WOJGMQOQSA-N 338.382 4.042 0 50 EIAA O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1ccc(Cl)cc1 444939 XZNYDFZVRMSHDY-UHFFFAOYSA-N 348.793 4.302 0 50 EIAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N(C)C)cc1 613792 QHKMNIWPAJZRPM-OAHLLOKOSA-N 340.467 4.456 0 50 EIAA COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@]2(C)C1=CC[C@H]2OC(C)=O 1405901 LRTUTQVESNZNCY-PCFDJQJPSA-N 340.419 4.292 0 50 EIAA CCCOc1ccccc1/C=C1\N=C(c2cccc(Cl)c2)OC1=O 2081108 IKIORWLJNKYONI-VBKFSLOCSA-N 341.794 4.473 0 50 EIAA Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1 2244332 SNICMGDUOVKOPQ-UHFFFAOYSA-N 328.362 4.427 0 50 EIAA O=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCCC1 2882172 RGCSZWHSHQEZPM-UHFFFAOYSA-N 347.846 4.162 0 50 EIAA CC1(C)S[C@@H](c2cccc(Oc3ccccc3)c2)N[C@@H]1C(=O)O 5304817 BBJUNDLJULMHLT-CVEARBPZSA-N 329.421 4.046 0 50 EIAA CN1N=C(c2ccc(Cl)cc2)C[C@H](c2ccc(Cl)cc2)C1=O 6638375 GTVYCMJNPZUHDY-OAHLLOKOSA-N 333.218 4.343 0 50 EIAA COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@H]23)cc1 8101678 NCAZXJBAFALTTE-FHLIZLRMSA-N 343.810 4.371 0 50 EIAA Cc1ccc(Cc2c(C)[nH]c3c(-c4ccccc4)c(C)nn3c2=O)cc1 9698355 PUUVGRBBTXXZHW-UHFFFAOYSA-N 343.430 4.206 0 50 EIAA COc1cccc(CC[C@H]2CCCN(C(=O)c3ccsc3)C2)c1 11844456 CXZMSJPDNGYOHF-MRXNPFEDSA-N 329.465 4.242 0 50 EIAA CC(C)Sc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1 12382828 RYDAYNLYISNNTB-UHFFFAOYSA-N 347.387 4.310 0 50 EIAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1 12383027 VJLXQYOYGZKWGH-AWEZNQCLSA-N 340.423 4.174 0 50 EIAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 12404376 QUIJXCUCASPDOZ-UHFFFAOYSA-N 340.398 4.094 0 50 EIAA COC(=O)c1cc(C)sc1NC(=S)N(CC(C)C)CC(C)C 13824541 UBGKWHZALQJFGN-UHFFFAOYSA-N 342.530 4.154 0 50 EIAA C[C@H]1CN(C(=O)c2sc3cccc(Cl)c3c2Cl)C[C@@H](C)O1 16580447 YPJQTWUTFIAZJE-DTORHVGOSA-N 344.263 4.458 0 50 EIAA CC(=O)N1CCC[C@@H]1c1ccc(C(=O)NCCC2=CCCCC2)s1 19770909 PCTOYDNKRCIUOR-MRXNPFEDSA-N 346.496 4.052 0 50 EIAA COc1ccccc1-n1nc(C(C)C)nc1CSc1ccncc1 65426473 AOWHZSRAAVVVIL-UHFFFAOYSA-N 340.452 4.087 0 50 EIAA CCCCn1ccnc1[C@@H]1CCCN(c2nnc(C(C)C)s2)C1 95360710 QOAIGCDLUYYXIY-CQSZACIVSA-N 333.505 4.042 0 50 EIAA O=C(CCc1cccnc1)N1CCc2cc(-c3ccccc3)ccc21 132585749 SNRNKKMBLHUGEM-UHFFFAOYSA-N 328.415 4.271 0 50 EIAA O=C(Nc1ccc2cc[nH]c2c1)N(CCO)[C@H]1CCCc2ccccc21 194291356 UQKVGRQFRXJBLR-FQEVSTJZSA-N 349.434 4.072 0 50 EIAA CC(C)c1nc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cs1 225533778 JUHYHHPWVALPGM-UHFFFAOYSA-N 349.481 4.130 0 50 EIAA CCc1ccccc1NC(=O)CCN1CCCC[C@H]1c1cc(C)on1 244758084 OSCSXYDEIFOYPB-IBGZPJMESA-N 341.455 4.101 0 50 EIAA Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cc1cnccn1 253404146 FIXRAXROMQVOJS-UHFFFAOYSA-N 337.810 4.287 0 50 EIAA O[C@@H](C[C@H]1CCCCCN1Cc1ncc(C2CC2)o1)c1ccco1 253416130 WJVHRCCVMUSQPT-CVEARBPZSA-N 330.428 4.013 0 50 EIAA O=C(O)C[C@@H](NC(=O)CCC1CCC1)c1cccc2ccccc12 262893400 CNABAIJXNOXHLA-GOSISDBHSA-N 325.408 4.052 0 50 EIAA Cc1ccoc1CN(C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 292407783 UHYYYXBNRYISEY-MRXNPFEDSA-N 328.456 4.479 0 50 EIAA Cc1ncc(-c2ccc(NC(=O)c3cccc([C@@H]4CCOC4)c3)cc2)o1 408513686 DMWQAADJFFNNMA-GOSISDBHSA-N 348.402 4.406 0 50 EIAA Cc1ccc([C@@H](C)C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1 821319270 QPDGQXGANIQIEE-MRXNPFEDSA-N 338.451 4.123 0 50 EIAA O=C(Nc1ccc(Oc2ccccc2F)cc1)[C@H]1C[C@H]2CC[C@H]1O2 894788242 WTSKLRGDKOEYIC-HLLBOEOZSA-N 327.355 4.124 0 50 EIAA Cc1cc(Cl)ccc1C(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 952991377 OOVFGCGVWDQRMW-ZDUSSCGKSA-N 342.826 4.416 0 50 EIAA COc1ccc([C@H]2CCN(C(=O)N3CCCC3(C)C)[C@H]2C)cc1F 1875358216 NGWMWJHUYRPJQX-ZFWWWQNUSA-N 334.435 4.007 0 50 EIAA CCOC(=O)c1cc(-c2ccc(OC)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 1875358307 QXQFBLZLMGYZLG-DHSIGJKJSA-N 340.423 4.097 0 50 EIAA Cc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 43116 CYRWMDIDRVATIQ-INIZCTEOSA-N 334.824 4.467 0 50 EIAA c1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1 92815 SCQUMIOUUYZKTQ-UHFFFAOYSA-N 344.462 4.442 0 50 EIAA C[C@H]1CCc2c(sc3ncn(Cc4cccc(Cl)c4)c(=O)c23)C1 98388 ZLLWWSADMHVGSE-NSHDSACASA-N 344.867 4.285 0 50 EIAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(Br)o1 258900 FPEMGPGQEOAVRF-UHFFFAOYSA-N 334.091 4.313 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2cccc3c(C)cc(C)nc23)cc1 314466 BQMKEWNYLUXDKI-UHFFFAOYSA-N 349.459 4.287 0 50 EIAA aggregator Cc1cc(O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccc1Cl 370733 PZSXEAMCFUOFNM-CYBMUJFWSA-N 332.831 4.120 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)c2cccc(OC(C)C)c2)c1 570031 XUUZVPMXYMYCDS-UHFFFAOYSA-N 326.396 4.075 0 50 EIAA C[C@H](Oc1ccc(Br)cc1)c1nc(-c2ccncc2)no1 621216 MGUPYAAEVVEMAO-JTQLQIEISA-N 346.184 4.034 0 50 EIAA Cc1ccc2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2n1 2059027 FFCBCSVZISNCQD-UHFFFAOYSA-N 349.411 4.464 0 50 EIAA COc1ccc(OCCCOc2ccc(Br)cc2)cc1 2904824 FDDPIZHEBWIVOP-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA CCCCSc1nnc2c(n1)O[C@@](C)(CC)Nc1ccccc1-2 2915262 ZUCQTPFECGHHOP-KRWDZBQOSA-N 330.457 4.361 0 50 EIAA Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)cc1 3116621 PVTGOMVXNKUOMJ-UHFFFAOYSA-N 330.796 4.386 0 50 EIAA CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccccn4)[nH]c(=O)c23)C1 4095179 HTHSBHISHCZYDD-LLVKDONJSA-N 339.464 4.198 0 50 EIAA COc1cccc(OC)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4614274 SJUYBWGSELBEPH-JHMRYYBSSA-N 343.467 4.039 0 50 EIAA Fc1ccc(-n2c(S)nnc2CCc2ccccc2)cc1Cl 6402863 JYEBPHIKJWKXIM-UHFFFAOYSA-N 333.819 4.134 0 50 EIAA Fc1ccccc1-c1ccc(CNCc2ccc3c(c2)OCO3)o1 7524316 PRCMCOLQOPHLPY-UHFFFAOYSA-N 325.339 4.104 0 50 EIAA CCc1nccn1CCn1ccc(-c2cccc(-c3nccs3)c2)n1 19794714 BGYVKKHPAQMHIV-UHFFFAOYSA-N 349.463 4.133 0 50 EIAA Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2ccncc2)n1 65404440 DENUOWGMAZCLPL-UHFFFAOYSA-N 343.434 4.207 0 50 EIAA O=C1C[C@H](c2cccc3[nH]ccc23)c2c(n[nH]c2-c2ccccc2)N1 67679019 QHRRPQUHXBWKKY-OAHLLOKOSA-N 328.375 4.032 0 50 EIAA CCNC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 72144307 DFDHIZUHLYCZBQ-CYBMUJFWSA-N 328.378 4.080 0 50 EIAA Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CCC(O)CC2)c1 72478964 XFDMGNNWQOBYJM-UHFFFAOYSA-N 346.474 4.475 0 50 EIAA CN(C(=O)c1ccc(-c2cc[nH]n2)cc1)[C@H]1CCCc2ccccc21 77390529 XERNQPRPGOCWFF-FQEVSTJZSA-N 331.419 4.226 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2ccc3nccnc3c2)c1 77537500 VOVKGOSGHCHLQM-HXUWFJFHSA-N 347.418 4.006 0 50 EIAA Cc1c(F)cc(Cl)c(I)c1Br 79387450 GMFFZCHZTCIQKW-UHFFFAOYSA-N 349.368 4.155 0 50 EIAA Cc1cc(OC(C)(C)c2nc([C@@H]3CCOC3)no2)cc(C)c1Cl 96180860 LVBAIXRMYWFGEE-GFCCVEGCSA-N 336.819 4.158 0 50 EIAA CN(CCCNC(=O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1 169943822 ZVTTUTCRXOMKJP-UHFFFAOYSA-N 338.495 4.236 0 50 EIAA O=C(NCc1ccccc1Sc1ccccc1)c1cscn1 170622992 CJOWZBNHIXQPCD-UHFFFAOYSA-N 326.446 4.224 0 50 EIAA COc1ccc2nc(N3CCC[C@H](c4nccs4)C3)ccc2c1 180227167 IUTOSMUNFCLULY-AWEZNQCLSA-N 325.437 4.084 0 50 EIAA O=C(c1cc2cc(F)ccc2s1)N1CCC([C@@H]2CCCO2)CC1 187606343 QUBTYQBFWNNOMY-HNNXBMFYSA-N 333.428 4.072 0 50 EIAA COc1cccc([C@H]2CCN2Cc2cc(Cl)cc(OC)c2OC)c1 215662332 GWTHXNCXXAVYRI-QGZVFWFLSA-N 347.842 4.313 0 50 EIAA CC(C)(C)OC(=O)Nc1cc(Cl)ccc1C(=O)[C@@H]1CCCO1 407986160 GBNBJXZHERHRKB-ZDUSSCGKSA-N 325.792 4.049 0 50 EIAA Cc1nc(C)c(-c2csc(C(C)(C)NC(=O)OC(C)(C)C)n2)o1 408521754 UVDJWTHFYAOKLP-UHFFFAOYSA-N 337.445 4.175 0 50 EIAA Cc1ccc(CC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1C 641865400 YXFXHLZITZKQPX-UHFFFAOYSA-N 338.451 4.469 0 50 EIAA CC/C(=C\C(=O)OCC(=O)c1ccccc1F)c1ccc(OC)cc1 747136334 WAELQLMMPYGBDW-WYMLVPIESA-N 342.366 4.054 0 50 EIAA O=C(NC[C@H]1C[C@H]1c1ccccc1)c1cc(-c2ccc(F)cc2)on1 1775977394 YKIWMRMQUPAMAG-WBVHZDCISA-N 336.366 4.014 0 50 EIAA CCc1cccc(-c2noc([C@@H](C)n3ccc(C(F)(F)F)n3)n2)c1 1875331619 QDBOINGDUBYFLY-SNVBAGLBSA-N 336.317 4.124 0 50 EIAA C[C@@H](NCc1cnc(O)c2ccccc12)c1cc(C(C)(C)C)ccn1 2325777853 KCLKRUIHDPRCSI-CQSZACIVSA-N 335.451 4.484 0 50 EIAA Cc1cccc(-n2cc(CO)c(-c3ccc(Br)cc3)n2)c1 2544757 UNUUXYYSQRAZOY-UHFFFAOYSA-N 343.224 4.103 0 50 EIAA Nc1nc(-c2ccccc2)nc(N)c1Cc1ccc(Cl)cc1Cl 2559816 APOKQUMQMDXZBC-UHFFFAOYSA-N 345.233 4.206 0 50 EIAA Cc1cc(Br)cc(C)c1OCCSc1ncccn1 2845012 JFQSRNWZXQVOEJ-UHFFFAOYSA-N 339.258 4.027 0 50 EIAA COc1ccc2c(c1)O[C@H](C)C1=C2CC[C@]2(C)C1=CC[C@@H]2OC(C)=O 4821180 LRTUTQVESNZNCY-ZPDQPEGFSA-N 340.419 4.292 0 50 EIAA O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccccn1 55514301 BRGOJZIJLSCQOG-HXUWFJFHSA-N 333.435 4.249 0 50 EIAA CS[C@@H](C)Cc1c(-c2ccccc2)ncn1CCc1ccccn1 65469511 VUYVZTNNJKOBFD-INIZCTEOSA-N 337.492 4.482 0 50 EIAA CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2c(Cl)cncc2Cl)C1 65506719 FSNKLNBJLDBAFB-XUJVJEKNSA-N 345.270 4.159 0 50 EIAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1 77439344 FRURQIMFXOULEZ-MRXNPFEDSA-N 342.439 4.038 0 50 EIAA COc1cccc2c1N(Cc1nnc(-c3ccccc3C)o1)CCC2 159075868 HDEUVSZKMWSUTJ-UHFFFAOYSA-N 335.407 4.006 0 50 EIAA CC[C@H]1CCCN(C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 183714073 NQTHODUJAXKKAW-INIZCTEOSA-N 326.444 4.225 0 50 EIAA Cc1csc([C@@H](C)N(C)C(=O)c2cc3ccc(Cl)cc3n2C)n1 215268647 RNZLRPDPEWMFTQ-LLVKDONJSA-N 347.871 4.430 0 50 EIAA CSCC[C@H](C(=O)Nc1nc2c(s1)CCCCC2)n1cccc1 263588422 UBQXTJLTPCZCDR-CQSZACIVSA-N 349.525 4.146 0 50 EIAA CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1 299801435 YEPFCGWTGORHFQ-HXUWFJFHSA-N 348.446 4.476 0 50 EIAA O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C(F)F)cc1F 653611907 SJGUMBQDECKLIF-IAGOWNOFSA-N 349.352 4.413 0 50 EIAA Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C(=O)O)c2ccccc21 669434900 MRALLWAECHCWGX-QAPCUYQASA-N 337.419 4.094 0 50 EIAA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@H]1CC=CCC1 952990524 VSDVPJRHRMUGOW-QGZVFWFLSA-N 326.465 4.337 0 50 EIAA Cc1nccc(-c2ccccc2)c1C(=O)N(C)CC[C@@H]1CCCCO1 1506407067 LXRBJXSQAYNSMA-SFHVURJKSA-N 338.451 4.088 0 50 EIAA Cc1ccc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)c2ccccc12 1704330440 JFGBJPKHAAWBMG-NRFANRHFSA-N 339.479 4.044 0 50 EIAA Cc1cc(O)nc(C)c1NC(=O)c1[nH]c2ccc(Cl)cc2c1C 1875244490 MENYLLCSDVXBOW-UHFFFAOYSA-N 329.787 4.099 0 50 EIAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)C1=Cc2ccccc2C1 1875305479 SOBLWOIQCIESTE-XUTJKUGGSA-N 333.431 4.133 0 50 EIAA Cc1ccc(C(=O)NOCCOc2ccccc2)cc1-c1ccccc1 2325866496 NGYXXENDSOHIOY-UHFFFAOYSA-N 347.414 4.402 0 50 EIAA COC(=O)c1ccccc1NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 42752 HFQAPTUIFKOBRP-ZWNOBZJWSA-N 342.222 4.003 0 50 EIAA O[C@H](CN(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21 290002 UADOBENHDRZEKF-FQEVSTJZSA-N 343.430 4.236 0 50 EIAA CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccccc1 350036 MRAAINIKTLQAMC-UHFFFAOYSA-N 329.812 4.009 0 50 EIAA C[C@@H](NC(=O)CSc1nc2ccccc2s1)c1ccccc1 446018 KYOHXHIBPMMHRS-GFCCVEGCSA-N 328.462 4.266 0 50 EIAA CCCC(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 447484 ICGRAWTVAYLNAE-UHFFFAOYSA-N 328.803 4.121 0 50 EIAA Cc1cc2sc(NC(=O)c3ccc4c(c3)OCO4)nc2cc1Cl 568446 NWZLXKCALRIUEW-UHFFFAOYSA-N 346.795 4.239 0 50 EIAA CC(=O)Nc1cccc(OCc2ccc(C(=O)c3ccccc3)cc2)c1 1078439 TXRZKMDUSODLTI-UHFFFAOYSA-N 345.398 4.455 0 50 EIAA O=C(O[C@@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1ccccc1 1406527 SOHOEVQNGGLRPU-STIKNRRDSA-N 337.394 4.118 0 50 EIAA Cc1ccc(NC(=O)c2ccn(COc3cc(C)ccc3C)n2)c(C)c1 2800232 SBWRJBQCCSJHJU-UHFFFAOYSA-N 349.434 4.406 0 50 EIAA CC(C)CC(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1 2999595 HKFMACJXWOCHAM-UHFFFAOYSA-N 340.492 4.136 0 50 EIAA Cc1ccc(-n2c(/C=C/c3cccnc3)nc3ccccc3c2=O)cc1 4817330 LCUIOOQSZIRPDK-JLHYYAGUSA-N 339.398 4.260 0 50 EIAA O=C1/C(=C/Nc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 17731304 YHVYPUTXMQMIPR-HMMYKYKNSA-N 340.382 4.327 0 50 EIAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 19144201 DTWVFQMWENAJRN-SFHVURJKSA-N 339.866 4.402 0 50 EIAA Cc1ccsc1CN1CC[C@]2(CCCN(C(=O)CC(C)(C)C)C2)C1 67788668 OCXMFVKRFUDQDQ-HXUWFJFHSA-N 348.556 4.307 0 50 EIAA CC[C@@H](C(=O)NCc1ccc(-c2cccc(Cl)c2)o1)n1cccn1 91459415 XAOGQWJCIPSVRG-INIZCTEOSA-N 343.814 4.064 0 50 EIAA C[C@@H](Cc1cncs1)NC(=O)c1ccc(-c2ccccc2Cl)o1 91586610 JTHLZELXHGZQCA-NSHDSACASA-N 346.839 4.418 0 50 EIAA CCC(CC)CN1CCC[C@H](c2nccn2Cc2cscn2)C1 95355023 SWNPVJSGHHGCAU-INIZCTEOSA-N 332.517 4.004 0 50 EIAA Cc1cnccc1N1CCC(c2nccn2Cc2ccccc2)CC1 95530581 OBEANEBYBFKNHH-UHFFFAOYSA-N 332.451 4.019 0 50 EIAA CC(=O)c1cc(CC(=O)NC[C@@H](C)c2ccc(Cl)cc2)cs1 97514416 JWCDHEANHSOQCZ-LLVKDONJSA-N 335.856 4.067 0 50 EIAA CC(=O)Oc1ccc(Cc2csc(CCc3ccccc3)n2)cc1 225551544 PCLRVLMBEOXABK-UHFFFAOYSA-N 337.444 4.444 0 50 EIAA CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 242047798 VQFHJWPPRJYXHH-WMFXKJRFSA-N 348.245 4.371 0 50 EIAA O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H]1c1cccs1 264391415 SOIBBQMFGYQUJV-ZDUSSCGKSA-N 344.461 4.371 0 50 EIAA O=C(NCCCC[C@H]1CCCO1)c1cccc(-c2ccsc2)c1 299759610 PHMORPYVUXLSRZ-SFHVURJKSA-N 329.465 4.494 0 50 EIAA CC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(OC)cc2OC)c1 299786115 VYIQBJDKLFJUDE-QGZVFWFLSA-N 339.435 4.385 0 50 EIAA FC(F)c1nnc(N2CCC[C@@H]2C[C@@H]2CCCc3ccccc32)o1 368387224 FYJABHBPRWYTBZ-UONOGXRCSA-N 333.382 4.486 0 50 EIAA Cc1cccc2nc(C(=O)N(Cc3ccsc3)CC(C)C)cn12 1506406468 KZVGDZYJBVHTAL-UHFFFAOYSA-N 327.453 4.003 0 50 EIAA CC1(C)C[C@@]1(c1cccs1)c1nc(C2CCCC2)nn1CCCO 1857681382 BWZQNNPOGVKBKQ-LJQANCHMSA-N 345.512 4.096 0 50 EIAA O=C(CCc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1 1875268859 STQIHWGVCASGNI-UHFFFAOYSA-N 340.326 4.479 0 50 EIAA Cc1nc(-c2cccc(NCc3c(C(F)(F)F)cnn3C)c2)[nH]c1C 1875283796 BLVZNNLXWREEKJ-UHFFFAOYSA-N 349.360 4.058 0 50 EIAA c1ccc2[nH]c(-c3nnc([C@@H]4[C@H]5CC[C@@]4(c4ccncc4)C5)o3)cc2c1 1875291063 MXRMLRLFRUEDMX-XQAUZQBESA-N 342.402 4.448 0 50 EIAA COc1cc2c(cc1OC)[C@H](c1ccc(C(C)(C)C)cc1)NCC2 34459 CSOOWMINZBTBLR-FQEVSTJZSA-N 325.452 4.236 0 50 EIAA biogenic CCOc1ccccc1NC(=O)COc1cc(Cl)ccc1Cl 130389 UVRILEOCWWJWTH-UHFFFAOYSA-N 340.206 4.410 0 50 EIAA COc1ccc(C2(C(=O)Nc3cccc(C)c3)CCCC2)cc1OC 190112 RBCIJDSRHCMISQ-UHFFFAOYSA-N 339.435 4.463 0 50 EIAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccco1 465141 PKWAZRHFLNBZPH-NHAQELONSA-N 328.437 4.320 0 50 EIAA Clc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1 1071787 GEJUEHXCSJLRMN-UHFFFAOYSA-N 325.549 4.413 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 2064416 JCAXFGIAVGVYGI-UHFFFAOYSA-N 326.465 4.464 0 50 EIAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(Cl)cc1Cl 2585839 FYFDBWTUQWRLDK-LLVKDONJSA-N 334.199 4.034 0 50 EIAA Cn1c(SCc2nc3ccccc3s2)nnc1-c1cccs1 2700569 AFPNNTBXPQTGNQ-UHFFFAOYSA-N 344.490 4.446 0 50 EIAA Cc1cccc2c(C(=O)NCc3ccco3)cc(-c3cccnc3)nc12 6789516 MTHQKHLZSNVCNU-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA CCc1nc(C)c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)[nH]1 12299675 RWHTXIUNLMRYBJ-OAHLLOKOSA-N 345.874 4.029 0 50 EIAA Cc1nccn1CC[C@@H]1CCCCN1C/C=C/c1ccc(F)cc1 77379502 MZHHWXOABWIAHW-SGSXCFNPSA-N 327.447 4.289 0 50 EIAA Cc1c(Cl)cc(C(=O)N(C)CCC2CCOCC2)cc1Cl 91468281 RFABJJDCYVOJKN-UHFFFAOYSA-N 330.255 4.191 0 50 EIAA CC[C@H](c1cccnc1)N(C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 91706638 BRZXVUCDZWCHHC-QGZVFWFLSA-N 341.842 4.160 0 50 EIAA CCCc1noc([C@@H](C)NC(=O)c2cc(C)oc2-c2ccccc2)n1 97495426 GJCQSRJKOFVASI-CYBMUJFWSA-N 339.395 4.082 0 50 EIAA CC(=O)c1ccc(NC(=O)CCN2CCC[C@H]2c2ccccc2)cc1 170624922 BRDSFTLHQIRNKE-FQEVSTJZSA-N 336.435 4.055 0 50 EIAA CC(C)(C)C[C@@H](NC(=O)NC1CCOCC1)c1ccc(Cl)cc1 175571681 FVVOARBICFQUSV-MRXNPFEDSA-N 338.879 4.296 0 50 EIAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1ccc(Cl)cc1)c1ccccn1 221830870 CRXUURQUNIJLLP-MDZRGWNJSA-N 340.854 4.329 0 50 EIAA Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n1 257365261 UDCMKNOLKHGTHB-BBWFWOEESA-N 344.455 4.448 0 50 EIAA Cc1ccc([C@@H](C)[C@@H](O)c2nc(Cc3c(F)cccc3F)no2)cc1 895993871 JEVYCIKGTFRNKG-KZULUSFZSA-N 344.361 4.084 0 50 EIAA CCOc1cc(S(=O)(=O)Nc2ccccc2Cl)c(C)cc1C 1776002780 CXQGZOKMEARWTM-UHFFFAOYSA-N 339.844 4.156 0 50 EIAA C[C@H](OC(=O)c1ccc2c(O)ncnc2c1)c1ccc(C2CC2)cc1 1875287752 YGBRBUKPCUWGBY-LBPRGKRZSA-N 334.375 4.131 0 50 EIAA c1cncc(-c2ccc(N[C@@H]3COC4(CCC4)C3)c3ncccc23)c1 1875305384 CBAOHYFZGHVLCH-INIZCTEOSA-N 331.419 4.420 0 50 EIAA CCC(C)(C)CCCC(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1 1875329696 DKTIFIRUXGZTBT-QGZVFWFLSA-N 336.907 4.419 0 50 EIAA O=C(Nc1cccc2ccccc12)N[C@H](C[C@H]1CC=CCC1)C(=O)O 2325824198 SZZVTMACEVNCEI-KBXCAEBGSA-N 338.407 4.161 0 50 EIAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(F)cc1 97523 KYEAKTWPDMJEDF-UHFFFAOYSA-N 346.365 4.120 0 50 EIAA COc1cc(C=O)cc2c1O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C 238055 SOSWXHDRHCWCDK-OAQYLSRUSA-N 335.403 4.037 0 50 EIAA CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OCC 304160 JBCOUUCDWAITQK-MRXNPFEDSA-N 341.451 4.235 0 50 EIAA CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1 446441 IEBUNBXZRJCYDH-GOSISDBHSA-N 345.398 4.098 0 50 EIAA Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3ccccc3)c12 6755793 RGLKPMAFZAEADG-UHFFFAOYSA-N 332.407 4.302 0 50 EIAA CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)C1CCCCC1 12382441 AGKISPAFJMWIRU-UHFFFAOYSA-N 333.457 4.115 0 50 EIAA COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)NCC2 22018370 VWRZKNBJHMIEMQ-QGZVFWFLSA-N 338.234 4.246 0 50 EIAA CCc1ncc(-c2cc(C(=O)NC(C)C)c3ccc(C)c(C)c3n2)cn1 23158400 WISHFNMYDKXCCK-UHFFFAOYSA-N 348.450 4.009 0 50 EIAA CCCCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)O 26578301 UXGXCGPWGSUMNI-YGNZZZABSA-N 336.472 4.158 0 50 EIAA in-vitro CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 36621040 DZTJLIHWBNOVJA-IBGZPJMESA-N 340.423 4.463 0 50 EIAA CCCCc1cc(=O)[nH]c(-c2ccccc2CN2CCCC[C@@H]2C)n1 48187667 DHVUPOZBXXEUIU-INIZCTEOSA-N 339.483 4.154 0 50 EIAA Cc1cc(Cl)cc(Br)c1I 63339603 BWRZRHVIJFYRMX-UHFFFAOYSA-N 331.378 4.016 0 50 EIAA COc1ccc(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)c(F)c1 71747533 COOJUWQYWPDFHF-UHFFFAOYSA-N 340.345 4.029 0 50 EIAA Cc1cc(C)nc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 102987560 FZBFKPLJBKXMHI-UHOFOFEASA-N 336.501 4.190 0 50 EIAA COCO[C@H]1C(=O)[C@@]2(/C=C\Sc3ccccc3)CC[C@H]1C2(C)C 104307908 FXSJYUXBORNYPO-SAMDYPETSA-N 332.465 4.287 0 50 EIAA CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(-n2cccc2)c1 170634741 WOCMFSRCJSFXDE-IBGZPJMESA-N 334.423 4.487 0 50 EIAA CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)CC1 187052385 ZBDVFUVRDVAACO-IAGOWNOFSA-N 346.519 4.225 0 50 EIAA Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)on1 194963261 MIRRQMWWTHDMOG-UHFFFAOYSA-N 349.106 4.017 0 50 EIAA CC(C)[C@@H](C(=O)NC[C@H](C)Sc1ccccc1)c1ccncc1 225749350 CNHFHXXIQKDOJJ-MAUKXSAKSA-N 328.481 4.118 0 50 EIAA c1cnc(-n2cccn2)c(-c2noc([C@@H]3C[C@H]3C3CCCCC3)n2)c1 329501914 AIFAKMZHNCHTNX-JKSUJKDBSA-N 335.411 4.001 0 50 EIAA O=C(NC[C@H]1CCCC2(CCC2)O1)c1c(Cl)oc2ccccc12 832300960 JALJHLHSHMWPLL-GFCCVEGCSA-N 333.815 4.308 0 50 EIAA Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccsc1)C1CCCC1 952966922 XNCSXENZGXJFIG-UHFFFAOYSA-N 345.512 4.002 0 50 EIAA CC(C)(C)C[C@@H](NC(=O)NCc1cccc(F)c1)c1cccnc1 952971221 MSBWCRXCSVFMJE-QGZVFWFLSA-N 329.419 4.197 0 50 EIAA O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(F)cc2ccccc12 1875342475 TYDMITCAZAHVEB-UHFFFAOYSA-N 332.338 4.016 0 50 EIAA Cc1cc2c(cc1C)N(C(=O)NCc1ccc3cc(O)ccc3c1)CC2 2325828505 IZSLZZIJCSQVJO-UHFFFAOYSA-N 346.430 4.435 0 50 EIAA O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C1CCCCC1 91074 HIAGOKVAQZKPKN-UHFFFAOYSA-N 346.810 4.421 0 50 EIAA COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1OC 268090 XOBGOQYNOCIGPM-UHFFFAOYSA-N 337.828 4.088 0 50 EIAA COc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)cc1 2142298 BFGLSKVQULSECJ-UHFFFAOYSA-N 340.400 4.130 0 50 EIAA C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 4422833 DWQQRTJQHUWCPX-QGZVFWFLSA-N 331.415 4.041 0 50 EIAA biogenic Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 12093250 OQQWONCZNROSFY-ZDUSSCGKSA-N 347.867 4.445 0 50 EIAA CC(C)N(C)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 12387095 DPTCKRFBBMMPDQ-QGZVFWFLSA-N 342.449 4.300 0 50 EIAA CCc1cc(C(F)(F)F)c2c(=O)[nH]c(=S)n(C3CCCC3)c2n1 20605476 ZDOUWEZVBLHIKN-UHFFFAOYSA-N 343.374 4.150 0 50 EIAA Cc1cc(NCc2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 21798963 YKUISZTZWQZJHL-UHFFFAOYSA-N 332.382 4.456 0 50 EIAA Cc1ccc(Oc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nn1 72117631 GOXSLMZLYLRURJ-UHFFFAOYSA-N 333.391 4.446 0 50 EIAA Cc1cncc(C(=O)N2CCC(Sc3ccccc3C)CC2)c1 77406602 QZBMTWHNRICGAG-UHFFFAOYSA-N 326.465 4.095 0 50 EIAA Cc1ncsc1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 82161530 QHORGPUVUURLCE-UHFFFAOYSA-N 339.464 4.057 0 50 EIAA O=C(Nc1ccccc1-c1ccncc1)C1=NO[C@H](c2ccccc2)C1 110400458 AFUKXUBWZJWXOV-FQEVSTJZSA-N 343.386 4.205 0 50 EIAA CC[C@@H]1CCCN(C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 183714058 NQTHODUJAXKKAW-MRXNPFEDSA-N 326.444 4.225 0 50 EIAA CCc1c(NC(=O)N2CC[C@H](CC)C2)cnn1-c1ccccc1Cl 191579903 JHGBWDWHWRMENM-ZDUSSCGKSA-N 346.862 4.352 0 50 EIAA CSCc1ccccc1NC(=O)NCc1ccc2ncccc2c1 193879256 BGMUEJVXCAVCSX-UHFFFAOYSA-N 337.448 4.420 0 50 EIAA COc1cccc(Cl)c1CC(=O)O[C@@H](C)c1nc2ccccc2[nH]1 225692832 UUYNPWNGEDJTHA-NSHDSACASA-N 344.798 4.072 0 50 EIAA O=C(NC1CCCCC1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 239402919 RGWGQLBFUPUQLE-OYQDBORRSA-N 330.299 4.291 0 50 EIAA O=C(NCCCCc1ccc(Cl)s1)[C@H]1C[C@H]1c1cccnc1 252500233 SPVFYESNXFYTHB-GJZGRUSLSA-N 334.872 4.039 0 50 EIAA CSCc1ccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1 343205789 BTISWFRECGZXJD-UHFFFAOYSA-N 340.448 4.077 0 50 EIAA CCCOc1ccc(NC(=O)CCc2scnc2C)cc1Cl 411533599 NAJCTKHVZOZNTO-UHFFFAOYSA-N 338.860 4.465 0 50 EIAA Fc1cc(CN2CCO[C@H](c3ccccc3)C2)cc(C(F)(F)F)c1 506340977 OUPFATFFARNHQU-KRWDZBQOSA-N 339.332 4.418 0 50 EIAA Cc1nc([C@H]2CCCCN2C)n(-c2ccc(Cl)cc2Cl)n1 584884260 YQOKGYDJNRUSRJ-CQSZACIVSA-N 325.243 4.039 0 50 EIAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)Cc2ccc(C)o2)c1 952978577 QZKUAZXDWRNHDP-CQSZACIVSA-N 342.439 4.235 0 50 EIAA COc1cccc([C@@H]2CCN(c3nc4ccccc4s3)C2)c1OC 1704325582 QFCHQDFWXAPTRT-CYBMUJFWSA-N 340.448 4.307 0 50 EIAA Cc1cc(CN2CCCC[C@H]2C)c(C)c(C(=O)C2CCOCC2)c1 1772817587 FLDLGZNTKCFABI-MRXNPFEDSA-N 329.484 4.287 0 50 EIAA Cn1ncc2c(NC(=O)c3ccc(C(C)(C)C)nc3Cl)cccc21 1875369468 PWINKBIATUIFDJ-UHFFFAOYSA-N 342.830 4.172 0 50 EIAA C[C@@H](NCc1cc(C2OCCO2)ccc1F)c1coc2ccccc12 2325774046 YLINGSRFQBZFCA-CYBMUJFWSA-N 341.382 4.468 0 50 EIAA C[C@H](Cc1cnccn1)OC(=O)c1ccc2c(c1)oc1ccccc12 2325870683 KLAXAQTWUSDYHW-CYBMUJFWSA-N 332.359 4.164 0 50 EIAA O=C1C[C@H](c2c[nH]c3ccccc23)C(=O)N1c1ccc2ccccc2c1 477217 ZRXQJXPBDMICKB-GOSISDBHSA-N 340.382 4.368 0 50 EIAA biogenic O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCCCC1 615775 XPERHYATJKIAAT-UHFFFAOYSA-N 328.456 4.268 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccn2)no1 2206928 DSJDKIRHHOJWEZ-UHFFFAOYSA-N 338.754 4.415 0 50 EIAA O=C(CSC1=NCCS1)n1c2ccccc2c2ccccc21 2267099 WMICBGNOTYKAIM-UHFFFAOYSA-N 326.446 4.271 0 50 EIAA CCCCc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 2836996 CVZCIKYRMHJVSS-UHFFFAOYSA-N 342.464 4.245 0 50 EIAA CCCCN(CCCC)C[C@@H](O)COc1cccc2ccccc12 2991745 ZJCAHBZZKGAAAC-LJQANCHMSA-N 329.484 4.482 0 50 EIAA CCN(CC)CCn1c(NCc2ccc(F)cc2)nc2ccccc21 3612413 RRCXZTFMKZBETB-UHFFFAOYSA-N 340.446 4.129 0 50 EIAA COc1cc(CNCc2ccncc2)ccc1OCc1cccc(C)c1 4413619 MISCJTIGQSIFLO-UHFFFAOYSA-N 348.446 4.267 0 50 EIAA CCc1c(C)nc2ccc(Br)cc2c1SCC(=O)O 4600347 JKQXVWLOZXGEDM-UHFFFAOYSA-N 340.242 4.045 0 50 EIAA CCCN(CCC)C(=S)NC(=O)c1ccc(Cl)cc1Cl 5050942 XSSYNNQDIHERNJ-UHFFFAOYSA-N 333.284 4.130 0 50 EIAA CCCCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 12404198 RWIQKKHJKRLBDJ-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA CCCCC1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 20407102 BPMQKHZPLOLKDP-UHFFFAOYSA-N 342.527 4.327 0 50 EIAA CCN(Cc1cccc(OC)c1OC)c1nc(C)nc2sccc12 55343713 XXBJAWJWMMNSIT-UHFFFAOYSA-N 343.452 4.043 0 50 EIAA CCCn1ncc(-c2ccnc(N[C@H](C)c3ccc(F)cc3)n2)c1C 63869381 IQWLXDCIYXQLIE-CYBMUJFWSA-N 339.418 4.371 0 50 EIAA CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72463741 JBAKTIYTDLPQNB-IBGZPJMESA-N 340.467 4.008 0 50 EIAA Cc1cc(CNC(=O)[C@@H]2CCCO2)c2[nH]c(-c3ccccc3)c(C)c2c1 82097954 ABNOCKNSUCPBMY-IBGZPJMESA-N 348.446 4.247 0 50 EIAA Clc1ccccc1-c1noc(C[C@H]2OCCc3ccccc32)n1 115179294 PREBEUPQYCHLHU-MRXNPFEDSA-N 326.783 4.247 0 50 EIAA Oc1ccc(-c2csc(-c3cnn(-c4ccccc4)c3)n2)c(O)c1 129556584 VCCKPYRRLZJGOV-UHFFFAOYSA-N 335.388 4.074 0 50 EIAA CC(C)(C)c1csc(C2CCN(C(=O)CCc3ccoc3)CC2)n1 175403675 NNNNWSUXVKAABR-UHFFFAOYSA-N 346.496 4.372 0 50 EIAA CC(C)n1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cn1 191385474 XJMCTIDCJNKZSS-IBGZPJMESA-N 336.439 4.313 0 50 EIAA COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3ccccc3C)C2)c1 252481503 CNEIDPPMHMLPSV-MRXNPFEDSA-N 339.435 4.032 0 50 EIAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(Cl)cc1 257365559 PSAMANHUXSNCAO-SMNXXWJPSA-N 347.890 4.119 0 50 EIAA Cc1sc(CC(=O)N2CC(C)(C)[C@H]2c2cccnc2)nc1C(C)C 293904584 RKKXHOJBVQQBEX-GOSISDBHSA-N 343.496 4.122 0 50 EIAA CO[C@H](C)c1nsc(N2CCC[C@H]2c2nc3ccccc3s2)n1 369334537 LHNKNQZCOMXVKK-PWSUYJOCSA-N 346.481 4.197 0 50 EIAA COc1cc(NC2CCN(Cc3ccccn3)CC2)cc2ccccc12 927159516 OEMDVVYJHAFYMK-UHFFFAOYSA-N 347.462 4.320 0 50 EIAA Cc1nocc1NC(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1 931812861 LCSCVBVYBFKJHC-HNNXBMFYSA-N 339.848 4.327 0 50 EIAA Cc1ccc2nc(CN(C)Cc3cnc(-c4cccs4)nc3)[nH]c2c1 952989934 IZKQMQVJXXLFSG-UHFFFAOYSA-N 349.463 4.022 0 50 EIAA Cc1cc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)ccc1Cl 1506397290 RKWQYGMWOQDJEP-KRWDZBQOSA-N 349.883 4.296 0 50 EIAA CN(Cc1ccc2cc[nH]c2c1)Cc1csc([C@@H]2CCCO2)n1 2325761146 NLSAYUUAXAETAM-KRWDZBQOSA-N 327.453 4.108 0 50 EIAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 72390 JNCSQROSIMRUQO-MSOLQXFVSA-N 339.391 4.308 0 50 EIAA COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1C 301902 POEOBEXBGSLRSH-UHFFFAOYSA-N 346.386 4.271 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 442330 JBEBKEAGJSATOF-UHFFFAOYSA-N 339.313 4.220 0 50 EIAA Cn1c(CC(O)(c2ccccc2)c2ccccc2)nc2ccccc21 499752 PAZTZBSCQOVZSR-UHFFFAOYSA-N 328.415 4.052 0 50 EIAA Cc1cccc(C2=NNC(=O)[C@H](c3ccc(Cl)cc3Cl)C2)c1 1397718 KVJPLHKJMJEIGB-AWEZNQCLSA-N 333.218 4.310 0 50 EIAA O=C(CCCc1c[nH]c2ccccc12)NCCSc1ccccc1 2190993 DNGWFMCXKDHJKI-UHFFFAOYSA-N 338.476 4.399 0 50 EIAA CC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 3561819 FVUBZYVTGCRNIO-UHFFFAOYSA-N 331.799 4.339 0 50 EIAA Oc1nc(/C=C/c2c(O)ccc3ccccc23)cc(C(F)(F)F)n1 4418862 CRFSSWRXGQFXSI-VOTSOKGWSA-N 332.281 4.230 0 50 EIAA Cc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1 7793114 HZPJBRDQGNJOBL-UHFFFAOYSA-N 330.431 4.111 0 50 EIAA CCN(CC)C(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 10335750 WUVNIUQSHVFRKC-UHFFFAOYSA-N 344.842 4.003 0 50 EIAA Cc1c(CC(=O)N(C)C(C)C)c2c(n1CC(C)C)CC(C)(C)CC2=O 15067002 GGOGURDSTWSFCK-UHFFFAOYSA-N 346.515 4.017 0 50 EIAA Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3C)no2)cc1 16577087 VBQKFYVBTIMRGA-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA CCCCn1c(=N)n(CCOc2ccccc2Cl)c2ccccc21 19939829 UCJOBFQCNKCBGH-UHFFFAOYSA-N 343.858 4.455 0 50 EIAA C[C@@H]1CN(CCCOc2ccc(Cl)c3ccccc23)C[C@@H](C)O1 20167324 LBXLFNZMNYGFSZ-HUUCEWRRSA-N 333.859 4.371 0 50 EIAA Cc1nn(-c2ccc(C(=O)O)cc2)c2nc(C3CC3)cc(C(F)F)c12 20603679 QCMQIWKDCCUMCM-UHFFFAOYSA-N 343.333 4.242 0 50 EIAA C[C@H](CCCC(C)(C)O)CCNC1CCN(c2ccccc2)CC1 32565319 WOVBJFPQHKPGPA-GOSISDBHSA-N 332.532 4.212 0 50 EIAA CC/C=C\C/C=C\C[C@H](O)[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 34961897 DNPZYIPMAWRQQE-AMJMLPKPSA-N 336.472 4.158 0 50 EIAA in-vitro CCOc1ccccc1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 39769782 WLKXQMWVHDLBJL-IRLDBZIGSA-N 342.527 4.314 0 50 EIAA CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2F)nc1C 40566639 PJEYGYRMGBUFIY-UHFFFAOYSA-N 333.306 4.453 0 50 EIAA CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H](C)n2cncn2)o1 65527920 MQSOAXATFYCFFI-OAHLLOKOSA-N 347.422 4.225 0 50 EIAA Fc1ccc(-c2cc(NCc3cc(C4CC4)on3)n3nccc3n2)cc1 72475299 XFKXJQXYRUHDBX-UHFFFAOYSA-N 349.369 4.013 0 50 EIAA CCn1cncc1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1C 95508203 AYXWSURTRQAODG-NRFANRHFSA-N 347.462 4.050 0 50 EIAA CCC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCCC2)nc1C 183279070 MYLOVLZNYSVLSV-MRXNPFEDSA-N 330.476 4.177 0 50 EIAA FC(F)(F)Cn1ccnc1CN1C[C@@H]2CCCC[C@@]21c1ccccc1 368550142 WOMCPDILJKZBGI-FUHWJXTLSA-N 349.400 4.347 0 50 EIAA CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cccc(F)c2F)cc1 426661377 SJBHONBTIQFUPC-MRXNPFEDSA-N 345.389 4.273 0 50 EIAA C[C@@H](NCc1c(F)cccc1OC(F)F)c1cc(O)ccc1F 872047593 FOROUXYPJXDJRE-SECBINFHSA-N 329.293 4.123 0 50 EIAA Cc1nn(-c2ccccc2)cc1CN[C@@H](C)c1ccc(C(F)F)nc1 888101159 KQAAGFXJXLBZLA-ZDUSSCGKSA-N 342.393 4.364 0 50 EIAA Nc1nc(SCC2C[C@@H]3C[C@H]3C2)nc2sc3c(c12)CCCC3 1875354753 NUBQJNYUMVOZBL-GHMZBOCLSA-N 331.510 4.291 0 50 EIAA C[C@@H]1CN(c2cc(Cl)nc(-c3ccoc3)n2)CC2(CCCCC2)O1 1875358856 LSKZLOJCDKTIPC-CYBMUJFWSA-N 347.846 4.318 0 50 EIAA O=C(O)CCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 375613 OAMMKHQGBULZLE-UHFFFAOYSA-N 340.404 4.157 0 50 EIAA O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 378744 ZNWAMBGKLIPNFQ-GFCCVEGCSA-N 328.418 4.394 0 50 EIAA COc1ccc(CC(=O)Nc2c(Cl)cccc2Cl)cc1OC 454888 CDZBKFMWTYVEKC-UHFFFAOYSA-N 340.206 4.192 0 50 EIAA CC(=O)Nc1ccc(C(=O)CSc2cccc3cccnc23)cc1 617495 KCOLMGHCNYCATK-UHFFFAOYSA-N 336.416 4.168 0 50 EIAA CC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccc(Cl)cc1)N2 1756806 IKDKOKKETBHSNN-UHFFFAOYSA-N 337.920 4.472 0 50 EIAA COc1ccc(OCCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 1778296 LAMPWUXWIBESSV-UHFFFAOYSA-N 333.815 4.455 0 50 EIAA Cc1ccc(C(C)C)c(OCCNC(=O)c2ccc3ccccc3n2)c1 2812090 UKKXOVZUUYOHRW-UHFFFAOYSA-N 348.446 4.475 0 50 EIAA C[C@@H](CCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 3683590 PZMZTAGLRGIETO-KRWDZBQOSA-N 328.887 4.483 0 50 EIAA O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCc2ccccc2C1 3907684 GEAVKQDLJVIUKI-UHFFFAOYSA-N 338.794 4.194 0 50 EIAA CC(=O)Nc1c(C)ccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1C 4717204 UBMUQOIKALRVBB-RDJZCZTQSA-N 328.456 4.439 0 50 EIAA CC(=O)N1N=C(c2ccccc2)O[C@]1(C)C12CC3CC(CC(C3)C1)C2 4721524 WCGKVOSPIUCGCL-LTUUKXNJSA-N 338.451 4.160 0 50 EIAA CC[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl 6745835 NSZGAVBLFMARSY-MRXNPFEDSA-N 330.815 4.212 0 50 EIAA COC(=O)c1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1 8670360 MDFHIXPMFWXRPV-UHFFFAOYSA-N 336.416 4.435 0 50 EIAA aggregator Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)C(C)C)C2)c1 14886939 BYKRTVXWQIUROS-SFHVURJKSA-N 337.467 4.122 0 50 EIAA CCCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 16602715 XWBQMYUINCPVIU-UHFFFAOYSA-N 342.508 4.095 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c(OC)c1 36620874 AKOVWVYQDXHXQO-SFHVURJKSA-N 340.423 4.381 0 50 EIAA Cc1ccc(CS(=O)(=O)C(Cl)(Cl)c2ccccc2)cc1 45069255 AHMNNOSIMWYEKD-UHFFFAOYSA-N 329.248 4.198 0 50 EIAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)c1 77517866 QUJRMAMLMXHFIP-QGZVFWFLSA-N 348.446 4.408 0 50 EIAA c1ccc2nc(N3CCC(c4nccn4CC4CC4)CC3)ccc2c1 82107308 ZCGJWGMRCRSYEC-UHFFFAOYSA-N 332.451 4.225 0 50 EIAA Cc1[nH]c2ccc(F)cc2c(=O)c1CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 135859103 YOSGGYHRSTYGDH-VFNWGFHPSA-N 342.458 4.376 0 50 EIAA C[C@@H]1CC(=O)C[C@H](c2ccncc2NC(=O)OCc2ccccc2)C1 167846088 OUYCMSVDLLRVEX-GOEBONIOSA-N 338.407 4.303 0 50 EIAA CCc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1 169755501 WWAGCRCUXOPLIF-UHFFFAOYSA-N 346.434 4.096 0 50 EIAA COc1cccc([C@@H]2CCN2Cc2ccc(-n3cccn3)cc2C)c1 215344087 RTQRGHPNPOEJGU-NRFANRHFSA-N 333.435 4.136 0 50 EIAA CCCc1occc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 281438434 RYFVOYSESMSDSA-QFBILLFUSA-N 345.414 4.364 0 50 EIAA CCOc1c(Cl)cc(NC(=O)c2cc(C)nc(C)n2)cc1Cl 341270324 HXYTXUWFZVYZHY-UHFFFAOYSA-N 340.210 4.051 0 50 EIAA Cn1c(CN[C@H](Cc2ccccn2)c2ccccc2)nc2ccccc21 359154469 OIEAVWQFKYNBIH-HXUWFJFHSA-N 342.446 4.042 0 50 EIAA COc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)cc1C 478564252 YANBOSQYFJPDLI-UHFFFAOYSA-N 349.434 4.367 0 50 EIAA Cc1csc([C@H]2CCCCN2C(=O)Nc2ccc(C3CC3)cn2)n1 933953368 DPSJRCSSPYGUBP-OAHLLOKOSA-N 342.468 4.483 0 50 EIAA CN1CCC(c2nnc(COc3ccccc3-c3ccccc3)o2)CC1 952874706 BLRHHUYCEDWZFK-UHFFFAOYSA-N 349.434 4.125 0 50 EIAA C[C@H](O)c1nc2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc2[nH]1 952972214 ZWJJCLAKCVZLDL-HSBZDZAISA-N 343.471 4.407 0 50 EIAA Cc1ccnc(-n2nc(C)cc2NC(=O)c2cccc3sccc23)c1 1875332581 ZQVPUCDOZVLNIM-UHFFFAOYSA-N 348.431 4.351 0 50 EIAA O=C(CCN1CCCCC1)Nc1ccc(OCc2ccccc2)cc1 267004 LLYHDSPWMGIYJU-UHFFFAOYSA-N 338.451 4.080 0 50 EIAA CCOc1cccc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)c1 386388 FXAVGNKFDFGTKH-UHFFFAOYSA-N 342.439 4.301 0 50 EIAA CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 442441 GPVLHZKWWXNMLG-LJQANCHMSA-N 342.870 4.182 0 50 EIAA CC(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 464047 UAAVEWIYVBPNGU-UHFFFAOYSA-N 346.814 4.095 0 50 EIAA CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccncc1 525345 QNBVTCVYZQSESI-UHFFFAOYSA-N 330.844 4.306 0 50 EIAA Fc1ccc(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 572910 PIGSRJAHZHGMMX-HNNXBMFYSA-N 338.386 4.103 0 50 EIAA O=C(CSCc1ccc(Br)cc1)NC1CCCCC1 614765 SAQGJVXHHKILLG-UHFFFAOYSA-N 342.302 4.131 0 50 EIAA CCOc1ccc([C@@H]2C[C@@H](c3ccc(CC)cc3)Nc3ncnn32)cc1 616870 FVYQPYUIAUUJQU-PMACEKPBSA-N 348.450 4.386 0 50 EIAA C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)c1ccccc1 2437382 WYTHPKBZSXXHOS-AWEZNQCLSA-N 348.398 4.322 0 50 EIAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OCC)cc1 2853325 ZYVBJOAEVIJJGA-UHFFFAOYSA-N 340.423 4.466 0 50 EIAA O=c1c(Oc2ccc(F)cc2)c(C(F)(F)F)oc2cc(O)ccc12 6557398 ZQDBDHHLUGHZAN-UHFFFAOYSA-N 340.228 4.449 0 50 EIAA Cc1ccccc1NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 6697542 ODXIODQQGPWLRK-UHFFFAOYSA-N 342.786 4.020 0 50 EIAA CCCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc(C)cc1 12274049 BMKMJEYSMOOTMA-UHFFFAOYSA-N 334.423 4.089 0 50 EIAA CCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2F)c1 20169070 DLVHAEYVEMOXIY-UHFFFAOYSA-N 336.750 4.300 0 50 EIAA COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 36620427 ZNFPPSJEAGWJQT-SFHVURJKSA-N 338.407 4.151 0 50 EIAA CC(C)c1cc(C2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)[nH]n1 67741988 ZNZOGJVYRGJXAF-MRXNPFEDSA-N 339.483 4.433 0 50 EIAA CCCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 72170480 JZIFNUOYJJSLIF-GOSISDBHSA-N 338.451 4.192 0 50 EIAA CCCc1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)cs1 91270218 NULOWNPFXHGUAD-KRWDZBQOSA-N 345.512 4.291 0 50 EIAA CC[C@H](NC(=O)Nc1cccc2nsnc12)c1nc(C)c(C)s1 96150889 BWTVXQRGSNEZIG-JTQLQIEISA-N 347.469 4.037 0 50 EIAA Cc1cncnc1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 97546621 UGXKMOIRIUTWAJ-UHFFFAOYSA-N 335.373 4.183 0 50 EIAA CC(=O)c1cc2cc3c4c(c2oc1=O)C(C)(C)CCN4CCC3(C)C 140234753 NGTDVJOJDMQAMI-UHFFFAOYSA-N 339.435 4.165 0 50 EIAA in-vitro Cc1ccc(C)c(-n2ncc(NC(=O)c3cc(Cl)ccn3)c2C)c1 151918455 JCCSIOBASLOFCV-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA O=C(Cc1c[nH]c2cc(Cl)ccc12)OCc1csc(Cl)n1 170609333 IISJLHREYKXFGZ-UHFFFAOYSA-N 341.219 4.217 0 50 EIAA O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)CCC=C2 225472471 XNBMTWFESVKDFN-UHFFFAOYSA-N 329.403 4.143 0 50 EIAA Fc1ccc(N2CC[C@H](CNc3ncc(Cl)cc3Cl)C2)cc1 225516341 JVHLJRUHEGNUEU-LLVKDONJSA-N 340.229 4.466 0 50 EIAA CCOc1c(Cl)cccc1CC(=O)N[C@H](C)Cc1cccs1 252494121 NLUJNLFVPNMHII-GFCCVEGCSA-N 337.872 4.090 0 50 EIAA CC(C)(NCc1cc(Cl)sc1Cl)c1nnc2n1CCCC2 449456141 CCPYDJHYGPIUPJ-UHFFFAOYSA-N 345.299 4.008 0 50 EIAA c1ccc([C@H]2CN(Cc3cc(C4CCCCC4)no3)CCO2)cc1 1529099632 CYZHCYGYJRFSKI-HXUWFJFHSA-N 326.440 4.296 0 50 EIAA Cc1ccccc1[C@H]1CCN(CCNc2nnc(C)c3ccccc23)C1 1529191948 KGOYLUKUPSPCBB-SFHVURJKSA-N 346.478 4.148 0 50 EIAA CC1CC(C(=O)N[C@@H]2CCCC3(C2)N=N3)(c2cccc(Cl)c2)C1 1857530502 DPDOGLMTPQTLOC-YAJUMTOWSA-N 331.847 4.229 0 50 EIAA Brc1ccc(C2(NCc3cc4cnccc4[nH]3)CC2)s1 1875284857 QUCGBOVWIFTKSH-UHFFFAOYSA-N 348.269 4.166 0 50 EIAA Clc1cc2ccccc2c(=NCc2ccc3c(c2)OCCCO3)[nH]1 1875336962 LRHFEGRXPQPLDG-UHFFFAOYSA-N 340.810 4.084 0 50 EIAA O=C1C[C@H](c2cccs2)Sc2nc(-c3ccc(F)cc3)nn21 79115 NSEIZGBKDCHFOQ-GFCCVEGCSA-N 331.397 4.023 0 50 EIAA Cc1ccc(OC(=O)COc2cccc(Br)c2)cc1C 148527 DNOVFXLTCPZBPI-UHFFFAOYSA-N 335.197 4.050 0 50 EIAA COC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 275334 CMVOGUPMYCVJCC-UHFFFAOYSA-N 339.178 4.424 0 50 EIAA Cc1cc(N2CCCCC2)nc(-c2ccc(Br)cc2)n1 343292 XPDOZICZTRJZBG-UHFFFAOYSA-N 332.245 4.205 0 50 EIAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 459725 MPYTZCQPCIBSDD-UHFFFAOYSA-N 328.170 4.458 0 50 EIAA COc1cc(NC(=O)c2c(Cl)cccc2Cl)cc(OC)c1 466903 YGAXVZFBSLMJEZ-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA COc1ccc([C@H](NC(=O)c2cccc(OC)c2)c2ccccc2)cc1 620122 UIGIQWMSZFKUKI-OAQYLSRUSA-N 347.414 4.223 0 50 EIAA Cc1sc(NC(=O)c2cccnc2)nc1-c1cccc(Cl)c1 1791412 ZKMRMMVHHIIDSJ-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)ccc1Cl 2917811 ALHCYUSSNMNCRW-UHFFFAOYSA-N 346.761 4.485 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 2989795 CYEACNMDCPKBOW-UHFFFAOYSA-N 346.814 4.014 0 50 EIAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(Cl)c1 6819883 KNDSJGOGTZGDSQ-MRXNPFEDSA-N 349.858 4.197 0 50 EIAA CC(C)N1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 12382539 UIVYWRWLGHEBRO-UHFFFAOYSA-N 334.529 4.010 0 50 EIAA Cc1ccccc1CCN1CCC[C@H](CN(C)Cc2ccsc2)C1 14964167 TYRBOUVBULAPFN-LJQANCHMSA-N 342.552 4.443 0 50 EIAA CC/C=C\C/C=C\C[C@H](O)[C@H](O)C/C=C\C/C=C\CCCC(=O)O 34961893 DNPZYIPMAWRQQE-RDJKCXGFSA-N 336.472 4.158 0 50 EIAA in-vitro Cc1ccc2nc(C)c(C(=O)N(Cc3nccs3)C3CC3)cc2c1 55153170 KNCJVGFGRNKEFF-UHFFFAOYSA-N 337.448 4.113 0 50 EIAA Cc1nn(C(=O)OC(C)(C)C)c2cnc(OCc3ccccc3)cc12 66055020 CAUQUUDBWBTGID-UHFFFAOYSA-N 339.395 4.102 0 50 EIAA in-vitro COc1ccc(C)cc1NC(=O)N(C)[C@@H](C)c1nc(C)sc1C 72173984 MAPRLSDNTHRATN-NSHDSACASA-N 333.457 4.302 0 50 EIAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1cncc(Cl)c1 72448021 RZNAFEVPAPDCEY-UHFFFAOYSA-N 349.868 4.192 0 50 EIAA Cc1c(C(=O)N(C)[C@@H](c2ccccn2)C2CC2)oc2c(F)cccc12 77535060 YKPIYNNBMLCTIK-QGZVFWFLSA-N 338.382 4.499 0 50 EIAA CCOC(=O)c1cnc2cc(Cl)c(Br)cc2c1Cl 96028542 WAXSWJMMSJALHU-UHFFFAOYSA-N 349.011 4.481 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cn2)c1C 119316514 SWZBKNCLPGAAHM-UHFFFAOYSA-N 331.803 4.034 0 50 EIAA O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(C1CC1)C1CC1 129094554 KRAJTHIWNZCLFF-UHFFFAOYSA-N 340.398 4.065 0 50 EIAA CCN1CCN([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 155473712 VLYARPNINCLKOB-AWEZNQCLSA-N 333.863 4.002 0 50 EIAA COc1ccc(CN2CCC[C@@H]2c2ccccc2C)cc1C(=O)O 223472705 YOJOKYAMRIMASD-GOSISDBHSA-N 325.408 4.039 0 50 EIAA COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253614352 WGYHVQYXJNPQAA-BJSXQCTJSA-N 332.484 4.099 0 50 EIAA CC[C@@H]1C[C@@H](CC(=O)NCc2nc(-c3ccccc3)cs2)CCO1 272722122 AGLAZOCELLDHRM-GOEBONIOSA-N 344.480 4.022 0 50 EIAA C[C@H](c1cc2ccccc2o1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C1=O 277993129 UQVDDDILKVZXDD-VDERGJSUSA-N 338.407 4.089 0 50 EIAA CCc1nn(C)cc1CN[C@H](C)c1csc(-c2ccccc2F)n1 462816889 FYWDLGTZRYSMPQ-GFCCVEGCSA-N 344.459 4.096 0 50 EIAA COc1ccc2c(c1Cl)[C@H](NCc1cc(C3CC3)no1)CCC2 903218551 DGHQCWQYEQWRSX-CQSZACIVSA-N 332.831 4.381 0 50 EIAA Cc1ccc(CN2CCCN(c3nc4ccccc4s3)CC2)s1 952967219 YUNJEFIQHCDVHI-UHFFFAOYSA-N 343.521 4.379 0 50 EIAA Cc1ccc(N2CCC(NCCc3scnc3C)CC2)cc1Cl 1506403512 PSCBPGSWLQIUJP-UHFFFAOYSA-N 349.931 4.214 0 50 EIAA Cc1ccc(-c2ccc(CN3CCC[C@]4(CCC[C@H]4O)C3)o2)cc1 1704340180 PGLISISCPJWBMK-NHCUHLMSSA-N 325.452 4.382 0 50 EIAA O=S(=O)(Nc1cccc2c1CCCC2)c1c(F)cccc1Cl 1875317232 RNXKPIASGSRSMS-UHFFFAOYSA-N 339.819 4.159 0 50 EIAA CCN(CC)Cc1ccccc1NC(=O)c1cncc2ccsc12 2325776298 OYGXHIKWUHTGOE-UHFFFAOYSA-N 339.464 4.390 0 50 EIAA CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2)cc1 8813 SMUGAZNLKPFBSB-UHFFFAOYSA-N 348.490 4.354 0 50 EIAA in-vitro Cc1ccc2nc(NC(=O)c3cncc(Br)c3)sc2c1 145375 DMCHXVWNHVNKQW-UHFFFAOYSA-N 348.225 4.015 0 50 EIAA O=C1C[C@H](c2cccs2)Cc2nc(NCc3ccccc3)ncc21 193874 JGLWGBKNRDJGHA-CQSZACIVSA-N 335.432 4.063 0 50 EIAA Cc1nc2ccc(NC(=O)N3CC[C@H](c4ccccc4)C3)cc2nc1C 269988 VGTARPZBAFJEQZ-KRWDZBQOSA-N 346.434 4.268 0 50 EIAA O=C(COc1ccc(Br)cc1)c1ccc(Cl)cc1 572079 WLYRAQPZXLEDRS-UHFFFAOYSA-N 325.589 4.364 0 50 EIAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1 616429 ZASBWCMOZYLOBV-UHFFFAOYSA-N 345.349 4.208 0 50 EIAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cccc(Cl)c1Cl 2389145 KGXWCCCBQSYUKL-JTQLQIEISA-N 334.199 4.034 0 50 EIAA Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 2471847 OTQCYDBKAMGLKK-CABCVRRESA-N 328.778 4.217 0 50 EIAA O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)C(F)(F)F 3127241 KNIQXSCNIYRRES-UHFFFAOYSA-N 343.295 4.413 0 50 EIAA Cc1ccc(-c2cnn3c(NCc4cccnc4)cc(C)nc23)cc1 5321540 JUNOSTUPFHCWEA-UHFFFAOYSA-N 329.407 4.020 0 50 EIAA Cc1ccc([C@@H]2C[C@@H]2c2nnc(S)n2-c2ccc(F)cc2)cc1 6533827 VUDWBEWIOGNWKC-HOTGVXAUSA-N 325.412 4.275 0 50 EIAA CSc1ccc2cc(CNC[C@H](C)O)c(-c3cccs3)nc2c1 12056838 QUIHLEWJYYSWAN-LBPRGKRZSA-N 344.505 4.156 0 50 EIAA CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 12138548 WPGBVVUYRBEKEJ-UHFFFAOYSA-N 344.842 4.003 0 50 EIAA COCCC[C@H]1CCCCN1Cc1ccc2cccc(OC)c2n1 77320213 LKTKJTYRNAFKPX-GOSISDBHSA-N 328.456 4.025 0 50 EIAA CSc1ncccc1C(=O)N1CCC[C@@H](c2ccccc2C)C1 77505171 HBTIFEMZSGHXIW-OAHLLOKOSA-N 326.465 4.132 0 50 EIAA C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 101711323 MVPZIIXKEANFCY-TUAOUCFPSA-N 330.255 4.265 0 50 EIAA CCO[C@@H]1C[C@H](N(C)C(=O)/C=C/c2csc(C)n2)C12CCCCC2 170638948 WSJKGXRKSCUVQD-IBHATUTGSA-N 348.512 4.051 0 50 EIAA Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CCC3)cs1 188383719 SAFXUXPBSSWPBG-KRWDZBQOSA-N 327.453 4.309 0 50 EIAA Cc1cnc(CNc2cccc(C[S@@](=O)c3ccccc3)c2)s1 194733852 HXYOCINVDOGESL-HSZRJFAPSA-N 342.489 4.371 0 50 EIAA O=C(CCN1CCCC[C@@H]1c1nccs1)Nc1ccccc1Cl 195439843 NHHBHYAKSFVDGZ-OAHLLOKOSA-N 349.887 4.352 0 50 EIAA CCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 200598655 GCTZSYNIXXONKQ-MRXNPFEDSA-N 333.435 4.346 0 50 EIAA Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1cnc(C2CCCCC2)nc1 215913805 BOFWUBLIJVBPHK-HNNXBMFYSA-N 327.476 4.057 0 50 EIAA Fc1cccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 225563551 UUDMIWGNGBAJMN-HNNXBMFYSA-N 326.400 4.081 0 50 EIAA Cc1n[nH]c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@@H]1C2 239309770 HVPVPQFZGNASDB-IJQKITLXSA-N 326.484 4.056 0 50 EIAA CC[C@H](N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)O 263578971 UAMBJMPODORKPI-ZANVPECISA-N 338.860 4.286 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1csc(-c2ccsc2)n1 299742799 KLZJDTDTUOAAAF-UGFHNGPFSA-N 348.493 4.089 0 50 EIAA O=C([C@@H]1CCCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 299785124 JCTASYFEANJUSK-NRFANRHFSA-N 349.474 4.164 0 50 EIAA CCCN1CC[C@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1 389192093 VPFAYRSFESZZJZ-AWEZNQCLSA-N 341.480 4.130 0 50 EIAA COC(=O)[C@@H]1CC12CCN(Cc1ccc(-c3ccccc3)s1)CC2 536670505 SDTABVNDEWBEAX-KRWDZBQOSA-N 341.476 4.190 0 50 EIAA CCCC(CCC)C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 887989371 CBBXOWASMKYOEU-JXFKEZNVSA-N 345.487 4.044 0 50 EIAA Cc1cc(NC(=O)N(Cc2cccc(F)c2)C2CCC2)nn1C(C)C 931778044 DZQTULNXIDTUAR-UHFFFAOYSA-N 344.434 4.498 0 50 EIAA CCOc1cc(C)c(S(=O)(=O)Oc2cc(C)cc(C)c2)cc1C 1776003882 DUSXCXFOXRHDNT-UHFFFAOYSA-N 334.437 4.087 0 50 EIAA CN(Cc1sc2ccccc2c1Cl)C(=O)CNc1cccnc1 1857704520 VRVZSBGZJDCEOQ-UHFFFAOYSA-N 345.855 4.020 0 50 EIAA CC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 28119 YYUQRARGQOXJPX-UHFFFAOYSA-N 338.190 4.214 0 50 EIAA COC(=O)c1oc2ccc(Cl)cc2c1NC(=O)c1ccccc1 112206 RVWMZEJQZKQRNC-UHFFFAOYSA-N 329.739 4.125 0 50 EIAA COc1cc(C(=O)Oc2ccccc2C(C)(C)C)cc(OC)c1OC 149109 OVUDVMVJRQICNQ-UHFFFAOYSA-N 344.407 4.229 0 50 EIAA COc1ccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)c(OC)c1 4652001 DRWDTCILDCOKDT-UHFFFAOYSA-N 337.375 4.234 0 50 EIAA O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 4844825 FODAYZOULDVYKJ-ZJUUUORDSA-N 348.613 4.165 0 50 EIAA Cn1c(SCc2csc(-c3ccccc3)n2)nnc1C1CC1 4938324 QGGZJCQPHSUCDR-UHFFFAOYSA-N 328.466 4.108 0 50 EIAA COc1ccc(Cl)cc1C(=O)Nc1cccc2nc(C)ccc12 4939675 JASJLNHFKRGNHX-UHFFFAOYSA-N 326.783 4.458 0 50 EIAA O=C(Nc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1 6725629 KRQZQYVWQVYWSS-UHFFFAOYSA-N 343.858 4.126 0 50 EIAA CN(C(=O)c1csc2nc(-c3ccccc3)cn12)C1CCCCC1 11903877 QPZAZVWYIFBFDU-UHFFFAOYSA-N 339.464 4.468 0 50 EIAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@H]1CO 12091344 NQSVELWZOWMDDX-IBGZPJMESA-N 336.435 4.150 0 50 EIAA CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1 12138730 ROUZPADBDJILLU-ZDUSSCGKSA-N 326.396 4.075 0 50 EIAA Cc1c([C@@H](C)NCc2ccc(F)c(F)c2)cnn1-c1ccccc1 12590337 JZBQEEMPOUDLOL-CYBMUJFWSA-N 327.378 4.310 0 50 EIAA C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=N)c1ccccc1 15951936 APDPXEKRBJHPKU-LLVKDONJSA-N 326.783 4.057 0 50 EIAA CCc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 19788030 BBSAOKHEUQSRKK-UHFFFAOYSA-N 328.887 4.220 0 50 EIAA Cc1cc(-c2cccc(-c3ccn(C[C@@H]4CCCO4)n3)c2)cc(C)n1 20541668 LABJYCVYHDGALI-FQEVSTJZSA-N 333.435 4.408 0 50 EIAA COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 35476527 TWVWDTFOIAVCSR-CQSZACIVSA-N 348.399 4.043 0 50 EIAA Cc1csc([C@@H](C)N(C)C(=O)c2cc(-c3ccc(C)s3)n[nH]2)n1 97522382 PDHCUALSTFVEAU-LLVKDONJSA-N 346.481 4.045 0 50 EIAA Fc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1F 104276696 PAVUUPCGSDKDRN-VQTJNVASSA-N 334.454 4.194 0 50 EIAA Cc1c(C(=O)N(CC2CC2)CC2CC2)oc2c1C(=O)CC(C)(C)C2 170627130 IZPJMEIINOIFEE-UHFFFAOYSA-N 329.440 4.005 0 50 EIAA O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCCC[C@H]1c1ncon1 184176714 PMWJUPVICPVVIB-HZMVEIRTSA-N 331.460 4.120 0 50 EIAA Cc1cc(-n2ccnc2)ccc1CN1CCC(OC2CCCC2)CC1 191976271 YPQWCFOETDOJOO-UHFFFAOYSA-N 339.483 4.104 0 50 EIAA CCn1nc(CC(C)C)cc1C(=O)N1CCc2ccc(F)cc2[C@@H]1C 216419122 NKBPZGDFZCDUPV-AWEZNQCLSA-N 343.446 4.000 0 50 EIAA Cc1sc2nc([C@@H](C)N3CCC[C@@H](C(C)C)CC3)[nH]c(=O)c2c1C 225432656 VIXKSAZKHSYMDJ-UKRRQHHQSA-N 347.528 4.421 0 50 EIAA Cc1noc(C)c1[C@@H](C)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299744318 OEOXQALBJZJIHR-XQAQDONZSA-N 339.395 4.071 0 50 EIAA O=C(NC1CCC(F)(F)CC1)N[C@@H]1CCOc2c(Cl)cccc21 332147467 LZZIOJMBFQNUGA-CYBMUJFWSA-N 344.789 4.041 0 50 EIAA CC(=O)c1cc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)c(C)nc1C 362419633 CRMWCLJHCLOSIN-YUNKPMOVSA-N 336.435 4.269 0 50 EIAA COC(=O)[C@H]1CC12CCN(Cc1ccc(-c3ccccc3)s1)CC2 536670507 SDTABVNDEWBEAX-QGZVFWFLSA-N 341.476 4.190 0 50 EIAA CCc1c(NCc2ncc(C)[nH]2)cnn1-c1ccc(C(F)(F)F)cc1 657448927 XTFNQGKWNFHQAT-UHFFFAOYSA-N 349.360 4.097 0 50 EIAA Cc1ccc(CN2CCCN(Cc3cccs3)CC2)c(F)c1F 1506409827 UQTFOYIGUBYZTR-UHFFFAOYSA-N 336.451 4.043 0 50 EIAA Oc1cc(-c2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc2)[nH]n1 1772805190 JIOZCQNWBLXZPG-UHFFFAOYSA-N 336.269 4.054 0 50 EIAA C[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)Nc1cnn(C(F)F)c1 1857530467 JJWZJSQTNQLYQC-NXEZZACHSA-N 342.777 4.245 0 50 EIAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(-c2ccccc2)c1 1857680710 SSLQYDWUJUGMIG-NNMXDRDESA-N 349.430 4.212 0 50 EIAA Cc1ccc(Sc2ccnc(N3CCc4ccccc4C3)n2)cc1 1875354166 BUKNPMWXHQZIGB-UHFFFAOYSA-N 333.460 4.499 0 50 EIAA O=C(NCc1cccnc1)c1cc(-c2cccs2)nc2ccccc12 200541 XYASDGNRLRWUBY-UHFFFAOYSA-N 345.427 4.288 0 50 EIAA Cc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 287773 BOTWKVLTVCVWOQ-UHFFFAOYSA-N 328.751 4.017 0 50 EIAA biogenic O=C(Cc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 292554 IRNARQVVSFDGPQ-UHFFFAOYSA-N 327.387 4.411 0 50 EIAA Cc1ccc(NC[C@H](O)Cn2c3c(c4ccccc42)CCCC3)cc1 381911 XIDFVJFDFPMONH-SFHVURJKSA-N 334.463 4.302 0 50 EIAA COc1ccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 398811 DJURCRQMLCTFLU-UHFFFAOYSA-N 336.775 4.010 0 50 EIAA CSc1cccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 470851 VEBZDCIZVZRGOZ-UHFFFAOYSA-N 335.494 4.408 0 50 EIAA COc1ccccc1NC(=O)CCSc1cccc2cccnc12 617919 VXJBIOGZZWHALT-UHFFFAOYSA-N 338.432 4.364 0 50 EIAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C 2884384 MSPYAMLJRQGTGQ-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)OCCO2 4750235 PZBLNBGWYYJAHM-UHFFFAOYSA-N 331.371 4.377 0 50 EIAA COc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(C)c(C)c2)C1 12308622 DDCXWWDXJMMEOA-GOSISDBHSA-N 338.451 4.029 0 50 EIAA O=C(CCc1ccncc1)N1CCC[C@H](CCc2cccc(F)c2)C1 12435573 MQFMZIHXEJLDJS-LJQANCHMSA-N 340.442 4.025 0 50 EIAA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ncccc1C 13331688 DHHOTBDJJNHHON-ZDUSSCGKSA-N 339.222 4.493 0 50 EIAA COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14760151 QDDILOVMGWUNGD-KGLIPLIRSA-N 328.408 4.187 0 50 EIAA endogenous,in-man CSc1ccccc1C(=O)[C@H]1CCCN(C2CCSCC2)C1 14973600 MMKLUGAVGZCCCZ-AWEZNQCLSA-N 335.538 4.199 0 50 EIAA Cc1cc(Cl)ccc1OCc1nc(-c2ccc3c(c2)OCO3)no1 16489480 OTFSEYPIDBKCET-UHFFFAOYSA-N 344.754 4.006 0 50 EIAA Cc1cc(-c2cccc(-c3cc[nH]n3)c2)nc(-c2ccccc2O)n1 20775959 IGUKIEHNPVFFAD-UHFFFAOYSA-N 328.375 4.215 0 50 EIAA O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1ccc(F)cc1 25372729 ZKJXQHVYUKWQEA-OAHLLOKOSA-N 339.819 4.005 0 50 EIAA Cc1ccc(C(=O)N2CCCC3(CCNCC3)CC2)c2ccccc12 67867270 RHITVVBFKMASGU-UHFFFAOYSA-N 336.479 4.144 0 50 EIAA Fc1ccc(CC[C@H]2CCCN(CCc3ccccn3)C2)c(F)c1 72147552 SDBDWWBTUOMLDZ-MRXNPFEDSA-N 330.422 4.247 0 50 EIAA CCCc1nc(C(=O)N(C)CCSc2ccc(C)cc2)cs1 92020872 BAPDGXDVIRUNJB-UHFFFAOYSA-N 334.510 4.268 0 50 EIAA O=C(c1c[nH]nc1C1CCCCC1)N1CCCC[C@@H]1c1cccnc1 97729705 FRETZZJSOMQVBK-GOSISDBHSA-N 338.455 4.220 0 50 EIAA CC(C)(C(=O)N1CCC[C@H]1/C=C/c1ccccc1)C1CCOCC1 376562106 QCDQCUNXXCDIJB-VYENPZKTSA-N 327.468 4.144 0 50 EIAA Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)s2)o1 683322077 GCARFZNPPKECQJ-CQSZACIVSA-N 341.436 4.407 0 50 EIAA Clc1ccc2cnc(-c3ccccc3OC[C@H]3CCOC3)n2c1 877871943 YJHWAYVGPDXDQI-ZDUSSCGKSA-N 328.799 4.070 0 50 EIAA COc1cc([C@H](C)NC(=O)N(C)Cc2ccoc2)cc2ccccc12 898918382 RBTVKEGZQBEUCW-AWEZNQCLSA-N 338.407 4.344 0 50 EIAA COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 73463 ZQCNWOHZKDJRNV-JTQLQIEISA-N 340.206 4.408 0 50 EIAA Cc1cc(C)c(OC(=O)NC(C(F)(F)F)C(F)(F)F)c(C)c1 198124 HTHUENHDHMOODS-UHFFFAOYSA-N 329.240 4.193 0 50 EIAA biogenic COc1ccc(Cl)cc1C(=O)N1CCC(Cc2ccccc2)CC1 253773 KFHJBIKDJHQQNB-UHFFFAOYSA-N 343.854 4.444 0 50 EIAA CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 443832 QLBZWNIWZRCLKC-UHFFFAOYSA-N 332.831 4.447 0 50 EIAA O=C(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 2522109 KAOGXECPJKJPIX-UHFFFAOYSA-N 343.231 4.040 0 50 EIAA COc1cc2c(cc1NC(=O)c1c(C)nn(C)c1C)oc1ccccc12 2747965 FRDRZMJADQRXIC-UHFFFAOYSA-N 349.390 4.197 0 50 EIAA C[C@H]1C[C@H](C)CN(CCOCCSc2ccc(Cl)cc2)C1 2824024 SFMLQAVQSGBTMM-GJZGRUSLSA-N 327.921 4.427 0 50 EIAA CCN1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 4813499 ULYNIJIGMBYGMQ-UHFFFAOYSA-N 339.464 4.047 0 50 EIAA S=c1[nH]nc(CCSCc2ccccc2)n1-c1ccccc1 6457319 XJTAQHQRWZHOPW-UHFFFAOYSA-N 327.478 4.406 0 50 EIAA C[C@@H](Cc1nnc(NC(=O)c2ccccc2F)s1)c1ccccc1 9095393 OSUVHGTYCXZOGQ-LBPRGKRZSA-N 341.411 4.276 0 50 EIAA Cc1c(C)n(Cc2ccccc2)c2ncnc(NCc3ccccn3)c12 9422510 MGJMIAQIWUOTTL-UHFFFAOYSA-N 343.434 4.104 0 50 EIAA C[C@H](Cc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1 22455339 PQEUZROJYNBAQX-QPGLYAHGSA-N 338.470 4.088 0 50 EIAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(C1CCCC1)C2 67975047 AZTLGOCVTIBNEK-UHFFFAOYSA-N 344.842 4.245 0 50 EIAA COc1ccc(OC)c([C@H]2CCN(c3ccc4ccccc4n3)C2)c1 77565804 GMRJISLETRTRME-INIZCTEOSA-N 334.419 4.246 0 50 EIAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F 82092391 MEPRGQSZFKYZEN-OAHLLOKOSA-N 349.837 4.069 0 50 EIAA Cc1c(CNc2nnc(CC(F)(F)F)s2)n(C)c2ccccc12 170618588 DMRLUYOLSOMQEO-UHFFFAOYSA-N 340.374 4.055 0 50 EIAA CC(=O)N(c1nc(CN2CCC=Cc3ccccc32)cs1)C1CC1 191297996 MBWUSKNJOXSIGG-UHFFFAOYSA-N 339.464 4.082 0 50 EIAA C[C@@H](c1ccccc1)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccn1 434227890 LSYLERSYNKWTNZ-VXGBXAGGSA-N 337.345 4.414 0 50 EIAA Cc1ccc(-c2nc(CN3CC[C@@]4(CCCOC4)C3)cs2)cc1 792941792 XENQXUNBTSIPDW-IBGZPJMESA-N 328.481 4.121 0 50 EIAA CCOc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1Cl 823383225 LUMWRVVGJSZMGU-UHFFFAOYSA-N 345.870 4.222 0 50 EIAA O=C(Nc1cccc(NC(=O)[C@@H]2CC23CCCCC3)c1)c1cccnc1 827701556 JYFMMHGVHLMJCS-SFHVURJKSA-N 349.434 4.243 0 50 EIAA CC(C)C(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 849188212 VQVQFJPQKQEJHE-AWEZNQCLSA-N 327.211 4.130 0 50 EIAA Fc1c(Cl)cccc1CN1CCc2nc[nH]c2[C@H]1c1ccccc1 1308095213 YOJQZSLWQHTOQT-LJQANCHMSA-N 341.817 4.350 0 50 EIAA CC[C@H](C)n1nc(C)cc1NC(=O)Cc1ccccc1C(F)(F)F 1529107395 ZVKNESOFMPUWNW-LBPRGKRZSA-N 339.361 4.363 0 50 EIAA S=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cccnc1 112742 XMSURAYEVVMWQO-UHFFFAOYSA-N 347.658 4.355 0 50 EIAA Cc1nc2cc(NCc3ccc(Br)cc3)ccc2n1C 239184 ZUECERPWPWPFGO-UHFFFAOYSA-N 330.229 4.256 0 50 EIAA CCc1c(C)sc(NC(=O)/C=C/c2cccc(Cl)c2)c1C(N)=O 433984 IRGKELAKRQQJOJ-BQYQJAHWSA-N 348.855 4.023 0 50 EIAA Cc1ccnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 795333 BZGJNGPTZKFTRS-JTQLQIEISA-N 325.195 4.103 0 50 EIAA Fc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)N=C3NN=NN32)cc1 2590530 XKQZWFKOUOFVMD-HNNXBMFYSA-N 327.750 4.118 0 50 EIAA CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2823022 CCZVDFNMQNCWNS-UHFFFAOYSA-N 330.815 4.116 0 50 EIAA Cc1cc(S[C@H](C)C(=O)NCc2ccco2)nc2c(C)cccc12 4801460 XTZRQCURJMXQQR-CQSZACIVSA-N 340.448 4.242 0 50 EIAA CSc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 6007689 IMYVHPGNOBSGAI-VBKFSLOCSA-N 340.473 4.013 0 50 EIAA CCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6752574 RWAWZFGGQDUXKA-UHFFFAOYSA-N 327.472 4.075 0 50 EIAA Cc1ccccc1CN1CCC(CO)(Cc2ccccc2Cl)CC1 11879230 GWMCLSGWWIWARH-UHFFFAOYSA-N 343.898 4.466 0 50 EIAA CC1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1 12651512 RRYRASYPIBZPLK-UHFFFAOYSA-N 329.831 4.224 0 50 EIAA Cc1ccccc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 13329684 ALNPRXVSXGIPIE-UHFFFAOYSA-N 344.414 4.177 0 50 EIAA COc1cc2c(cc1OC)CN(C/C(Cl)=C/c1ccccc1)CC2 19632686 LWPHRRCEMZTFKB-ZDLGFXPLSA-N 343.854 4.342 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 36621118 FYIIEPSVFIWXLU-KRWDZBQOSA-N 338.407 4.135 0 50 EIAA C[C@@]12CC3CC(C(=O)NCCCc4ccncc4)(C1)C[C@](C)(C3)C2 55253683 QRUZTHRMOOMIFX-DLIHROTGSA-N 326.484 4.127 0 50 EIAA Cc1cc(N2CCC[C@@H](c3ccn[nH]3)C2)nc2cc(Cl)ccc12 67850470 DJOSKXAWGSLHMS-CYBMUJFWSA-N 326.831 4.304 0 50 EIAA COc1cc(CN2CCC[C@@H](CCc3ccc(F)cc3)C2)ccc1O 71708111 QCTMUAQSPBXDES-KRWDZBQOSA-N 343.442 4.385 0 50 EIAA O=C1CC[C@@]2(CCCO2)CCN1Cc1ccc(-c2ccccc2)cc1 71776755 UULWHVATWWMRKF-QFIPXVFZSA-N 335.447 4.415 0 50 EIAA Cc1ccccc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 82121719 PASMDESUQBPPTE-UHFFFAOYSA-N 328.843 4.001 0 50 EIAA CCOc1ccc(NC(=O)N(CC)[C@@H]2CCOC(C)(C)C2)c(F)c1 97360251 MLKPMCGDTFIHMY-CYBMUJFWSA-N 338.423 4.036 0 50 EIAA Cc1cc([C@H]2CCCCN2Cc2c[nH]nc2-c2cccc(F)c2)no1 97480152 JPSTWVDOMSOURG-GOSISDBHSA-N 340.402 4.239 0 50 EIAA CCOC(=O)c1ccc(N[P@@](C)(=O)Oc2ccc(F)cc2)cc1 100774244 WQCGUGTWPGEYCJ-QHCPKHFHSA-N 337.287 4.316 0 50 EIAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100974687 OYCALXJOVMZJNH-UWVGGRQHSA-N 330.598 4.016 0 50 EIAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2N)ccc1F 102739756 SLBJGNYYIWGVBI-BCDXTJNWSA-N 325.431 4.022 0 50 EIAA O=C(CS[C@@H]1CCc2c(F)cc(F)cc21)Nc1cccc(F)c1 170618742 XYOBVEQKWKCEMX-MRXNPFEDSA-N 337.366 4.463 0 50 EIAA Cc1cccc([C@H](NC(=O)c2cc(C3CC3)[nH]c(=O)c2)C(C)(C)C)c1 186034752 VIMMDCVKNNMLNE-IBGZPJMESA-N 338.451 4.078 0 50 EIAA Cc1noc(C)c1[C@H]1CCCN1Cc1cnc(C2CCCCC2)nc1 215332784 YMUFGLIXDDDWCH-GOSISDBHSA-N 340.471 4.466 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)O[C@@H]3[C@H]4CCO[C@H]4C3(C)C)oc12 252515950 OWUHUINPSMCJFT-MORSLUCNSA-N 328.408 4.328 0 50 EIAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253608411 NCMZQTLCXHGLOK-FJEWGBTGSA-N 330.468 4.450 0 50 EIAA in-vitro O=C(CCc1ccc(O)cc1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 299786189 WFJCRFXPNUSSOO-QGZVFWFLSA-N 343.854 4.384 0 50 EIAA CNC(=O)c1ccc(C)c(N[C@@H]2CCC[C@@H](c3ncccc3C)C2)c1 331500037 HFZBTDVBCIGLAS-SJLPKXTDSA-N 337.467 4.196 0 50 EIAA O=C(c1cccs1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 371426485 XROLYWDDEHITGE-LBPRGKRZSA-N 340.370 4.225 0 50 EIAA CCCc1ccc(-c2ccc(NCc3nnc4n3CCOC4)cc2)cc1 390835417 NEGPVAMOSCRKQA-UHFFFAOYSA-N 348.450 4.040 0 50 EIAA Cc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)cc1O 408513626 CYIDHMKPMWNQBH-GFCCVEGCSA-N 341.436 4.010 0 50 EIAA CCOc1ccc([C@@H]2CCCN2Cc2cccc3c2OCCO3)cc1 920767911 QQABAJFOSYLZCJ-IBGZPJMESA-N 339.435 4.194 0 50 EIAA CC(C)c1noc([C@@H]2CCCN2c2nnc(-c3ccccc3)s2)n1 1529191923 JPFMOPPYUFAWQV-ZDUSSCGKSA-N 341.440 4.053 0 50 EIAA CC[C@H](c1ccc(N)cc1)[C@@H](CC)c1ccc(S(=O)(=O)O)cc1 2299912191 JWAHHMRQTMJQAJ-MSOLQXFVSA-N 333.453 4.203 0 50 EIAA Cc1nn(C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1-c1ccccc1 106481 VUYHCIDMWXSJRK-UHFFFAOYSA-N 346.217 4.436 0 50 EIAA CCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 249652 OEYUYRKGTPKVLG-UHFFFAOYSA-N 331.441 4.237 0 50 EIAA O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 390111 QLINTXGYEJMNBU-UHFFFAOYSA-N 348.474 4.160 0 50 EIAA COC(=O)c1ccccc1NC(=O)c1oc2cc(C)c(C)cc2c1C 617181 FVAWRJCYXYHAHP-UHFFFAOYSA-N 337.375 4.397 0 50 EIAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 2942790 LYWUAZCAWKLZHC-UONOGXRCSA-N 341.329 4.091 0 50 EIAA CC1=C(C)C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C(=O)O)C1 2942794 LYWUAZCAWKLZHC-KBPBESRZSA-N 341.329 4.091 0 50 EIAA COc1cccc(OCCOCCOc2ccc3ccccc3c2)c1 2983708 QGYDIMKBABMISB-UHFFFAOYSA-N 338.403 4.323 0 50 EIAA CC(=O)Nc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 12379657 YMMDUKUAYOOCSE-UHFFFAOYSA-N 348.855 4.170 0 50 EIAA O=C(c1ccc(F)cc1)c1ccc(N[S@](=O)c2ccccc2)cc1 15636862 MTKZRXDHEPAGMA-DEOSSOPVSA-N 339.391 4.191 0 50 EIAA Cc1ccccc1CN1CCN(C(=O)c2cccc3ccccc23)CC1 19790071 IVHBDHBBOZNGKR-UHFFFAOYSA-N 344.458 4.106 0 50 EIAA O[C@H](CNCc1ccc(OCc2cccs2)cc1)c1ccccc1 20018553 KJAXDZIHVZMEGA-HXUWFJFHSA-N 339.460 4.150 0 50 EIAA COc1cc2c(cc1-c1nccn1Cc1cc(C(C)C)no1)CCC2 71755230 AYUOLTGYNOCWFN-UHFFFAOYSA-N 337.423 4.207 0 50 EIAA COc1ccc(-n2cc(-c3ncc[nH]3)c(-c3cccc(F)c3)n2)cc1 72159096 XIJZNDYHALSPKU-UHFFFAOYSA-N 334.354 4.077 0 50 EIAA CC(C)c1cc(NCCCSCc2ccco2)n2nccc2n1 72429345 QBEFBUMQBLWWDQ-UHFFFAOYSA-N 330.457 4.181 0 50 EIAA Cc1nnc(-c2ccc(C)c(NC(=O)N[C@H](C)C3=CCCCC3)c2)o1 96164826 ZTHRKAATBNQUDP-CYBMUJFWSA-N 340.427 4.364 0 50 EIAA Cc1nc(-c2ccc([C@@H](C)N3CCCCC3)cc2)c2c(C)noc2n1 215484368 RJVFXNZKQSREDJ-CQSZACIVSA-N 336.439 4.449 0 50 EIAA CC[C@H](c1cccnc1)N(C)C(=O)Cc1c(C)[nH]c2c(F)cccc12 216116924 SGDYUWXQGIGZAC-GOSISDBHSA-N 339.414 4.163 0 50 EIAA CCn1cc(CN(C)C(=O)c2cc(C(C)C)cc(C(C)C)c2O)cn1 219316511 YSKRUSGMRYXTFP-UHFFFAOYSA-N 343.471 4.128 0 50 EIAA Cc1nc(CC(=O)N(Cc2cccnc2)C2CCCCC2)c(C)s1 244763976 OZAKBNILFLQQHF-UHFFFAOYSA-N 343.496 4.059 0 50 EIAA COCO[C@@H]1C(=O)[C@@]2(/C=C\Sc3ccccc3)CC[C@H]1C2(C)C 257356119 FXSJYUXBORNYPO-DFXCLDQASA-N 332.465 4.287 0 50 EIAA Cc1cccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)c1C 487451652 XOFOULHIYDILAA-UHFFFAOYSA-N 341.476 4.069 0 50 EIAA Cc1cccn2cc(-c3ccc(N[C@H](C)c4ccn(C)n4)cc3)nc12 1875328772 MAFOJWZFXIFHLH-OAHLLOKOSA-N 331.423 4.216 0 50 EIAA C[C@@H](NCc1cncc2c1CCC2)c1cccc(-c2ccncc2)c1 2325773973 KTXCIJUTFRTQSZ-MRXNPFEDSA-N 329.447 4.483 0 50 EIAA CCC1CCC([C@@](C)(O)CNCc2cccc3ccncc23)CC1 2325841864 IFTIWCWSBCCQLA-IOYBJCICSA-N 326.484 4.292 0 50 EIAA CCC[C@H](C)c1c(O)nc(SCc2ccccc2)n(CC)c1=O 216639 FKFBENWGMLIKSM-ZDUSSCGKSA-N 332.469 4.165 0 50 EIAA CC(C)c1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 303478 HDIOWSVRPZESSP-UHFFFAOYSA-N 327.468 4.130 0 50 EIAA C[C@H]1C[C@H](C)CN(c2nc(-c3ccccc3O)nc3ccccc23)C1 308772 UPIRTMMOQRPBKD-GJZGRUSLSA-N 333.435 4.485 0 50 EIAA O=C(Nc1ccc(-c2noc(-c3ccccc3)n2)cc1)c1ccco1 315519 XODFIOIFEQTCBX-UHFFFAOYSA-N 331.331 4.249 0 50 EIAA COc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 442295 DLDIJYKBVFYIKG-JTQLQIEISA-N 340.206 4.408 0 50 EIAA Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 456512 ZSZIBYDDWNHAGH-UHFFFAOYSA-N 342.464 4.125 0 50 EIAA CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1OCC 477135 OWELEGCJNNISGJ-UHFFFAOYSA-N 325.364 4.483 0 50 EIAA O=C(CSc1ccc2ccccc2n1)N1CCCc2ccccc21 5627411 FZZUYBVBHUMJED-UHFFFAOYSA-N 334.444 4.306 0 50 EIAA CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(OC)c3)c2c1 6350403 LJIMMAPUQQLZFB-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA CC(=O)Nc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 6730529 RJUPYWCGOBMUGC-UHFFFAOYSA-N 343.383 4.126 0 50 EIAA Cc1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1 12374422 IMEWIAJMZWMQBP-UHFFFAOYSA-N 329.407 4.020 0 50 EIAA Cc1ccc(CN[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)o1 12387521 PRAAICMOANKBPN-MRXNPFEDSA-N 327.472 4.479 0 50 EIAA O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2ccccc2)N1C1CCCCC1 16973325 IRYDNJWLTHHGAO-DETIRCLXSA-N 333.431 4.138 0 50 EIAA CN1CCC(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 65363680 ZKWJVYMTUXJFQX-UHFFFAOYSA-N 344.842 4.065 0 50 EIAA O=C(Nc1cccc(Cl)c1Cl)N(C[C@H]1CCOC1)C1CC1 123074671 MRHJWKVIFIBIOX-SNVBAGLBSA-N 329.227 4.026 0 50 EIAA C[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(-c2ncco2)c1 152171049 DGTYBDKAKAOHSU-CQSZACIVSA-N 333.391 4.493 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)O[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)oc12 170634958 OWUHUINPSMCJFT-DOPJRALCSA-N 328.408 4.328 0 50 EIAA CCOC[C@@H]1CCCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 173035450 BHHBWYHXHMGCKI-CQSZACIVSA-N 347.480 4.107 0 50 EIAA COc1ccc(Oc2ccc(-c3noc(C)c3C(=O)O)cc2)cc1 328579062 METKAUJZYKZCHF-UHFFFAOYSA-N 325.320 4.149 0 50 EIAA in-vitro CC(C)c1nc(CN(C)C(=O)c2cnoc2-c2ccccc2)cs1 426395161 JXHFOMCBZVTUFW-UHFFFAOYSA-N 341.436 4.194 0 50 EIAA CC[C@H]1CCCN1C(=O)NCc1ccccc1OCc1ccccc1 517713100 LFCOFDLRTNPNTP-IBGZPJMESA-N 338.451 4.350 0 50 EIAA COCCOc1ccnc(Nc2cccc(Oc3ccccc3)c2)n1 1875309497 ZIRHQWQZQCVBRB-UHFFFAOYSA-N 337.379 4.038 0 50 EIAA C[C@@H](NC(=O)C(C)(C)Nc1ccccc1)c1cccc2cnccc12 1875339117 WZVGUBKPNREMKU-OAHLLOKOSA-N 333.435 4.303 0 50 EIAA COc1cc(-c2ccc([C@H](C)N3CCCCC3)cc2)c(=N)[nH]c1C 2100482755 WWQKSRLVAZFCET-HNNXBMFYSA-N 325.456 4.025 0 50 EIAA C[C@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)C1 79599 AXTSTYDSFNQYDT-NSHDSACASA-N 342.489 4.294 0 50 EIAA COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C)cc1OC 122504 TXHKVLNNWPXKFS-WEVVVXLNSA-N 332.783 4.284 0 50 EIAA CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1 171013 LNLUUHHZBFYLCF-UHFFFAOYSA-N 337.217 4.141 0 50 EIAA Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccccc2)Nc2ncnn21 205889 OTQCYDBKAMGLKK-GJZGRUSLSA-N 328.778 4.217 0 50 EIAA CCN(CC)C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 214513 QTCXPIHNELNGIN-ZDUSSCGKSA-N 343.298 4.074 0 50 EIAA CCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)cc2)c1 444355 LRXYTGBNPCUAMZ-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA Cc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1 450485 JBGOYHCYYYVHGC-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA O=C(Cc1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1 455656 HMAPJXJBIGBLEH-UHFFFAOYSA-N 342.595 4.423 0 50 EIAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 465386 OYCALXJOVMZJNH-NXEZZACHSA-N 330.598 4.016 0 50 EIAA CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1 1386426 QWXWSLCYZOFKQS-UHFFFAOYSA-N 338.338 4.252 0 50 EIAA FC(F)(F)c1ccc(C(F)(F)F)c(I)c1 2510755 CZSSTAYSWOBTOJ-UHFFFAOYSA-N 340.004 4.329 0 50 EIAA Fc1ccc(NC(=S)NCCCN2CCCCCC2)cc1Cl 2843006 MGPRIISQUGCRKP-UHFFFAOYSA-N 343.899 4.032 0 50 EIAA O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccnc1 4759041 ZGAQRAWQOIZJBS-UHFFFAOYSA-N 327.236 4.260 0 50 EIAA O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1Cl 4814492 OBZZZEMSANPTGN-UHFFFAOYSA-N 338.162 4.072 0 50 EIAA C[C@@H]1CCCN(CCOCCOc2ccccc2-c2ccccc2)C1 4907493 PSCYBUVYHUPSDO-LJQANCHMSA-N 339.479 4.481 0 50 EIAA CN(C)CCC[C@]1(O)c2ccccc2Sc2ccc(Cl)cc21 5019316 YJINNJOMTOJZBH-SFHVURJKSA-N 333.884 4.382 0 50 EIAA Cc1ccccc1CSCc1nnc(S)n1-c1ccccc1 6401719 MPRRSMLPNPKPEZ-UHFFFAOYSA-N 327.478 4.298 0 50 EIAA c1ccc(CCN2CCC[C@]3(CCN(Cc4cccs4)C3)C2)cc1 12471435 KSTJRJDSRFNGQR-NRFANRHFSA-N 340.536 4.279 0 50 EIAA Cc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 13324707 LCJLZRUCKZHVIY-UHFFFAOYSA-N 349.887 4.060 0 50 EIAA Cc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)no1 16602604 MYDKEPSSSHXSAQ-UHFFFAOYSA-N 327.409 4.284 0 50 EIAA FC(F)(F)c1ccc(CN2CCC(N3CCCCC3)CC2)cc1 16662636 UBOCWKZJKVWXEI-UHFFFAOYSA-N 326.406 4.156 0 50 EIAA CCOc1ccc(-c2c[nH]c([C@@H]3CCCN(CC)C3)n2)cc1OCC 67605348 FDEDQBRMIFVPHQ-MRXNPFEDSA-N 343.471 4.073 0 50 EIAA CCC/C=C/CN1CC[C@@]2(CCCN(C(=O)c3cc(C)oc3C)C2)C1 67842828 YFBBBJSXIZMISH-BXKJMJEDSA-N 344.499 4.181 0 50 EIAA Cc1nc([C@@H](C)N(C)C(=O)C2(c3ccc(F)cc3)CC2)c(C)s1 91304741 MNECLMFJTOWTBY-LLVKDONJSA-N 332.444 4.150 0 50 EIAA CSc1cccc(CN(C)C(=O)c2ccc3cccc(F)c3n2)c1 91574558 MLCYOFHKBQAWFK-UHFFFAOYSA-N 340.423 4.368 0 50 EIAA O=C(Nc1ccnn1C1CCCCC1)N1CCC[C@H]1c1ccccn1 95525767 LGFLDYVHMRBABM-KRWDZBQOSA-N 339.443 4.152 0 50 EIAA CCN(C(=O)c1csc(-c2ccc(C)cc2C)n1)c1ccncc1 117663421 CDZXIYJENHQKNX-UHFFFAOYSA-N 337.448 4.489 0 50 EIAA O=C(Nc1ccccc1-c1ccccc1)N(C[C@H]1CCOC1)C1CC1 123507284 OHKKNCKMRDLZFS-MRXNPFEDSA-N 336.435 4.386 0 50 EIAA CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 170631003 XWTYHSMLXUVXJY-JCNKGUOZSA-N 333.516 4.160 0 50 EIAA COc1ccccc1-c1nccc2c1[nH]c1c(NC(C)=O)cccc12 214081733 RPBKPQWSRDMWRM-UHFFFAOYSA-N 331.375 4.350 0 50 EIAA CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1CCC[C@@H](O)C1 223554191 FPFPXYQBMHBKJH-NWDGAFQWSA-N 337.872 4.064 0 50 EIAA C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](c2nc3ccccc3o2)C1 229260609 IMHBYQMFUUXUMU-TZMCWYRMSA-N 338.411 4.029 0 50 EIAA CC(=O)c1cc(F)c(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c(F)c1 253419999 POILVDLYMBQHGV-VXGBXAGGSA-N 335.375 4.280 0 50 EIAA CCCCCNC(=O)N(Cc1ccccc1)Cc1scnc1C 426701433 ODAUNZOZPJGEMR-UHFFFAOYSA-N 331.485 4.354 0 50 EIAA C[C@]1(F)CCCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1 455427511 FLLIXKLUAVRCHI-SFHVURJKSA-N 329.375 4.230 0 50 EIAA C[C@H](NCc1cnc2c(-c3ccccc3)cnn2c1)C1=CCCCC1 952873917 QQEZTRXEFUEBLP-INIZCTEOSA-N 332.451 4.375 0 50 EIAA CCc1nccn1CCCNCc1[nH]c2ccc(Cl)cc2c1C 952988340 NPSNYHQLOGYMTL-UHFFFAOYSA-N 330.863 4.069 0 50 EIAA Cc1ccnc(C[C@@H](C)N(C)Cc2cc(C3CCCCC3)no2)c1 1506402483 SLBRRSWJLHTZKO-MRXNPFEDSA-N 327.472 4.489 0 50 EIAA O=C(Nc1nc2c(s1)CCCC2)[C@H]1C[C@@H]1c1ccc(Cl)cc1 1775975391 APLLLLFBWCVNOK-OLZOCXBDSA-N 332.856 4.418 0 50 EIAA CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(C)cc3)coc2c1 144798 OKOQCBGFANZIAA-UHFFFAOYSA-N 340.331 4.429 0 50 EIAA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)[C@H]1CCCO1 367904 BXJOSLTZPOCOMF-MRXNPFEDSA-N 342.782 4.266 0 50 EIAA CCCCOc1ccc(/C=C/C(=O)Nc2nnc(C(C)C)s2)cc1 1779896 WWAISUPGFPGOQH-DHZHZOJOSA-N 345.468 4.492 0 50 EIAA COc1cc(C=O)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 3257594 SSXGTIOMDNDFLA-UHFFFAOYSA-N 339.174 4.076 0 50 EIAA O=C(Nc1cccc(Cl)c1)Nc1cccc(N2CCCC2=O)c1 5440624 LWQORKNQRFXBIU-UHFFFAOYSA-N 329.787 4.111 0 50 EIAA O=C1CC[C@@H](CCNCc2ccc(F)cc2)N1C1CCCCCCC1 11872709 GHBUSUCDSRWZHQ-FQEVSTJZSA-N 346.490 4.409 0 50 EIAA CCn1ccnc1CN(C)Cc1nc(-c2ccc(Cl)cc2)oc1C 19758672 XRALQWUPEYJXLZ-UHFFFAOYSA-N 344.846 4.152 0 50 EIAA CCOc1ccc(CN(Cc2coc3ccccc3c2=O)C2CC2)cc1 55088445 QYACFSAJYJNIOG-UHFFFAOYSA-N 349.430 4.356 0 50 EIAA Cc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1Cl 57354905 YLCILEYUXUDGHR-UHFFFAOYSA-N 342.826 4.472 0 50 EIAA CCc1c(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)csc1C 67690361 JJDBQCQMDYAJAI-UHFFFAOYSA-N 349.459 4.232 0 50 EIAA CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)on1 71747676 ATRAIXQQONBWLW-MRXNPFEDSA-N 344.430 4.422 0 50 EIAA Cc1ccc(Cl)c(CN2CC[C@@H](c3ccccc3C(=O)O)C2)c1F 72128345 IVWALQNRGVLSAC-CYBMUJFWSA-N 347.817 4.475 0 50 EIAA CC(C)N1CCC(CC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)CC1 95355892 QIHLAHZKWXHTBY-IBGZPJMESA-N 345.531 4.186 0 50 EIAA CO[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1 96165508 SXYNSRHGHYFPRD-GOSISDBHSA-N 344.386 4.261 0 50 EIAA O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2cc[nH]n2)C1 97635010 QZSMRVZDRRAJLD-SNVBAGLBSA-N 339.226 4.128 0 50 EIAA CN(Cc1cc2ccccc2o1)C(=O)N[C@H]1CCOC2(CCCC2)C1 156749903 SUPITEQLZUWQNY-INIZCTEOSA-N 342.439 4.066 0 50 EIAA C[S@@](=O)Cc1cc(NCc2cc(F)c(F)cc2F)ccc1Cl 170594053 PSQDDELVWWHCAO-JOCHJYFZSA-N 347.789 4.248 0 50 EIAA CC(C)(C)c1cn2nc(N3CCC[C@]4(CC=CCC4)C3)sc2n1 170626878 YCCNMPSFRQQBPA-GOSISDBHSA-N 330.501 4.415 0 50 EIAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(Cl)c(Cl)c1 250853823 FIAXFZJVOJRGJM-DFBGVHRSSA-N 328.239 4.211 0 50 EIAA CC(C)[C@@H]1C[C@@H](Nc2cccc(CN3CCC[C@H]3C(=N)O)c2)CS1 331380854 IQQKRJCOWHHCOJ-SQNIBIBYSA-N 347.528 4.128 0 50 EIAA O=C(NCc1cc(F)c(Cl)cc1F)c1ccccc1OC(F)F 469103058 PTDDJDITSZLTNE-UHFFFAOYSA-N 347.695 4.150 0 50 EIAA CCC1=NO[C@H](c2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)C1 742464591 UELVNVNBNNRQSD-ZDUSSCGKSA-N 343.383 4.018 0 50 EIAA Cc1cccc(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)c1ncccc1F 888100254 ZMEKGFZXIRHFHT-RDJZCZTQSA-N 341.430 4.445 0 50 EIAA Cc1ccc([C@H](NCc2cnn(C(C)C)c2)c2cccnc2)cc1C 952871950 HSTFICJXDPFBAJ-NRFANRHFSA-N 334.467 4.355 0 50 EIAA CC(C)[C@H]1CN(C(=O)Nc2ccnn2[C@@H]2CC2(F)F)c2ccccc21 1875407854 IZRCBCBPRHUBDZ-UKRRQHHQSA-N 346.381 4.255 0 50 EIAA Cc1cc(Oc2ccncc2)ccc1NC(=O)c1coc2c1COC2 2325827202 ZAKGWEVLFWCBPW-UHFFFAOYSA-N 336.347 4.058 0 50 EIAA C[C@H](N=c1[nH]c2ccc(Cl)cc2n1C)c1cc(F)ccc1N(C)C 2325829811 SPISKZXYBPJKLV-NSHDSACASA-N 346.837 4.027 0 50 EIAA COc1ccc(-c2cccc(C(=O)N3CCC[C@@H]3C3(C)CC3)n2)cc1 2325875562 WLNHYKRBBJVLFF-LJQANCHMSA-N 336.435 4.162 0 50 EIAA Cc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)c1 109671 FZVBTNKDPWXQCI-SFHVURJKSA-N 339.435 4.238 0 50 EIAA O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1 233140 SMXZKDHWOXZJHE-UHFFFAOYSA-N 331.371 4.470 0 50 EIAA Cc1cc(C)c(C)c(OC(=O)NC(C(F)(F)F)C(F)(F)F)c1 290392 UCSJQDUQDDBVQT-UHFFFAOYSA-N 329.240 4.193 0 50 EIAA biogenic CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(Br)c1 442646 NIHIBTBTLZEANX-OAHLLOKOSA-N 334.213 4.245 0 50 EIAA CCCC(=O)Nc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 444579 AGGNPTNKNJBXST-UHFFFAOYSA-N 340.423 4.060 0 50 EIAA CC(C)CC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 570396 DADQRQISLBVNMC-UHFFFAOYSA-N 328.803 4.059 0 50 EIAA CCc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 580712 NJEZIROSMGVIGL-UHFFFAOYSA-N 348.240 4.337 0 50 EIAA COc1ccccc1CNC(=S)Nc1ccc(Cl)cc1Cl 611231 CDVOIVUMIRGOFD-UHFFFAOYSA-N 341.263 4.489 0 50 EIAA CC[C@@H](C)n1c(S)nnc1-c1cccc(OC(F)(F)C(F)F)c1 2791918 PIDCMGPDJDTSSJ-MRVPVSSYSA-N 349.353 4.442 0 50 EIAA CCOC(=O)c1c(N)sc(CN(CC)CC)c1-c1ccccc1 3181838 CVAVHMGMBHTFMM-UHFFFAOYSA-N 332.469 4.016 0 50 EIAA O=C(NCC(=O)c1cccs1)c1ccc(-c2ccccc2Cl)o1 4539404 OHIAKALTHMQGJS-UHFFFAOYSA-N 345.807 4.274 0 50 EIAA O=C(Nc1ccc(OCCCc2ccccc2)cc1)c1cccnc1 9875726 HGJAJLLGCOJTRU-UHFFFAOYSA-N 332.403 4.346 0 50 EIAA Cc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2ccco2)CC3=O)c1 9935776 KJDRDEXIKQETMP-AWEZNQCLSA-N 333.391 4.343 0 50 EIAA Fc1cccc(Cl)c1CN1CCN(c2ccc(Cl)cc2)CC1 55292317 ZFTCZFWMRBWQSS-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA COc1cccc([C@@H]2CCCN2Cc2cncn2C2CCCC2)c1 72151852 PWFQAQQALLDCRZ-FQEVSTJZSA-N 325.456 4.344 0 50 EIAA CCN1CCC(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)CC1 95375168 VTCCGJDRFWBMKS-LJQANCHMSA-N 332.463 4.001 0 50 EIAA C[C@H]1CCC[C@@H](C)N1CC(=O)NC(c1ccccc1)c1ccccc1 96027622 VAIZWCXLYIRZSI-HDICACEKSA-N 336.479 4.155 0 50 EIAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN(C/C=C/c2ccccc2)CC1 102447763 MRZMGCXEFDKVJF-RJQBWVTCSA-N 336.523 4.310 0 50 EIAA Cn1ccc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)ccc21 223238624 XZIOWPMMBDZGLJ-LJQANCHMSA-N 344.418 4.032 0 50 EIAA CO[C@H](C)c1nsc(N(CCc2ccccc2F)C2CCCC2)n1 225811864 LWFXJTDTJIYNMK-CYBMUJFWSA-N 349.475 4.376 0 50 EIAA O=C1[C@H]2C[C@H](c3ccccc3)CC[C@H]2C(=O)N1c1ccccc1Cl 226392610 NTXHRJAYPLDINI-OAGGEKHMSA-N 339.822 4.413 0 50 EIAA CC(C)(C)OC(=O)Nc1ncc(CNc2ccc(Cl)cn2)s1 252490698 KZEZZHQQKRXTTE-UHFFFAOYSA-N 340.836 4.151 0 50 EIAA C[C@@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@@H](C)O1 294889713 YFKWCOPHWYSMNM-IIDMSEBBSA-N 331.460 4.072 0 50 EIAA CC[C@@H](C)n1ncc(NC(=O)N2CC(C)(C)OC(C)(C)C2)c1C1CC1 333378775 XAXGQKWJRXGDRU-CYBMUJFWSA-N 348.491 4.153 0 50 EIAA O=C(C[C@H](Cn1cccc1)c1ccccc1)N1CCc2ccccc2C1 888105171 YWDYCARDGFZTAV-JOCHJYFZSA-N 344.458 4.247 0 50 EIAA C[C@@H]1CCCC[C@@H]1NC[C@H](O)Cn1c2ccccc2c2ccccc21 1775971321 NFPIWQGYLSUJCJ-UWVAXJGDSA-N 336.479 4.324 0 50 EIAA CC(C)[C@H]1CN(Cc2cc(C3CC3)on2)C[C@@H](c2ccccc2)O1 1875240943 KFWPBDJPUHJSTG-UXHICEINSA-N 326.440 4.150 0 50 EIAA Cc1cc(Cl)cc(-c2ccnn2C(C)C)c1OC1CCNCC1 1875329754 HVWYWHHARHRQOP-UHFFFAOYSA-N 333.863 4.224 0 50 EIAA c1ccc(-n2ccc(CNCc3cc4c(s3)CCSC4)n2)cc1 2325722342 POJMDARLOUMUHI-UHFFFAOYSA-N 341.505 4.013 0 50 EIAA Clc1ccccc1N=c1[nH]nc(SCCc2cccnc2)s1 2325733823 VLAMXRJCTPNWBV-UHFFFAOYSA-N 348.884 4.087 0 50 EIAA Cc1ccccc1Oc1ncccc1NC(=O)/C=C/c1cccnc1 2325736767 BWKQAQDUJCORHX-ZHACJKMWSA-N 331.375 4.229 0 50 EIAA Fc1ccc([C@H](Cn2ccnc2)N[C@H]2CCCc3sccc32)cc1 2325745100 LZSJBJFYSUDAKN-ROUUACIJSA-N 341.455 4.492 0 50 EIAA CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 101409 MNXKTTJUXBMPFE-UHFFFAOYSA-N 340.331 4.004 0 50 EIAA biogenic COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 124138 IZNUTHLWDUEHJW-UHFFFAOYSA-N 349.839 4.319 0 50 EIAA Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl 133286 PESUVQQDFVQEHI-UHFFFAOYSA-N 328.170 4.458 0 50 EIAA Cc1cc(C)nc(SCCCCSc2nc(C)cc(C)n2)n1 3634292 ZDTGTZLJMLASKC-UHFFFAOYSA-N 334.514 4.165 0 50 EIAA c1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)s2)cc1 6597366 JIGDDHVWHPYIHV-HNNXBMFYSA-N 342.445 4.343 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1 7720356 UFWGPDFVEUUQOB-UHFFFAOYSA-N 341.798 4.052 0 50 EIAA O=C(NC[C@@H]1CCCCO1)c1ccc2nc(C3CCCCC3)oc2c1 12001837 SNNDHQDWPPDTBP-INIZCTEOSA-N 342.439 4.174 0 50 EIAA Cc1c(CN2CCC(CO)(Cc3ccccc3)CC2)[nH]c2ccccc12 12302886 OHFOOAUSUJZTHQ-UHFFFAOYSA-N 348.490 4.294 0 50 EIAA C=Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(OC)cc3)C2)cc1 12439273 WYCGGUUPMYHUKJ-IBGZPJMESA-N 336.435 4.055 0 50 EIAA Cc1nc(CCN2CCC(Oc3ccccc3Cl)CC2)cs1 19228339 WPDVREDEOPZEMT-UHFFFAOYSA-N 336.888 4.191 0 50 EIAA Cc1cc2cccc(NC(=O)c3ccc([C@@H]4CCCN4)s3)c2o1 23619668 WQMAXCMPWKXWLY-ZDUSSCGKSA-N 326.421 4.480 0 50 EIAA C[C@H](c1ccc(-c2cccc(F)c2C(N)=O)cc1)N1CCCCC1 65380324 CAYFSEKZISGRGN-CQSZACIVSA-N 326.415 4.139 0 50 EIAA COc1cccc(-n2cnnc2C(c2ccccc2)c2ccccc2)c1 67789401 PWAQKYYYSKTGNH-UHFFFAOYSA-N 341.414 4.456 0 50 EIAA CC[C@@H](c1cccs1)n1ccnc1-c1cc2ccccc2[nH]c1=O 71589519 FGCNVJDESHSXBL-INIZCTEOSA-N 335.432 4.453 0 50 EIAA O=C1C[C@H](c2c(F)cccc2Cl)c2cnn(C3CCCC3)c2N1 72117831 NCLHNBZMRHYDRG-NSHDSACASA-N 333.794 4.265 0 50 EIAA O=C(O)CCP(=O)(OCc1ccccc1)OCc1ccccc1 90694853 WCSXCHGBVSQCMB-UHFFFAOYSA-N 334.308 4.088 0 50 EIAA CCC[C@@]1(CO)CCCN(Cc2cc(-c3ccc(C)cc3)no2)C1 91519376 GUAZXXIWVUMNGN-HXUWFJFHSA-N 328.456 4.025 0 50 EIAA O=C(NCc1csc2c1CCCC2)c1ccc([C@H]2CCCO2)s1 91894530 XHLJEEPHBFJHIF-CQSZACIVSA-N 347.505 4.470 0 50 EIAA C[C@@H](NC(=O)[C@@H]1CCCN1c1ccccc1)c1ccccc1Cl 225588140 XRPBSMHGDOZYBZ-KDOFPFPSSA-N 328.843 4.186 0 50 EIAA CSCC[C@H](C(=O)N1CCC(c2ccccc2)CC1)n1cccc1 263587122 CKTXLMLKYZOGDB-LJQANCHMSA-N 342.508 4.189 0 50 EIAA CC(C)(C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 334161477 BFJJLKYIUNHFBD-INIZCTEOSA-N 335.407 4.254 0 50 EIAA CC(C)c1ccc2c(c1)[C@H](NC(=O)c1c[nH]nc1-c1ccoc1)CC2 447607474 SJXXTCBYFJFTQQ-GOSISDBHSA-N 335.407 4.210 0 50 EIAA CN1C(=O)CCN(C(=O)c2cccc(C3CCCC3)c2)c2ccccc21 668953790 QTVMNOHJTIWOPK-UHFFFAOYSA-N 348.446 4.358 0 50 EIAA Cc1oc(C(C)(C)C)cc1C(=O)Nc1cn(C)nc1-c1ccco1 827239346 UAGBQKHQZKDJNR-UHFFFAOYSA-N 327.384 4.131 0 50 EIAA CC1=CC2(CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)OCC1 1704332859 UMIIRQFGWPYZOL-QGZVFWFLSA-N 333.497 4.301 0 50 EIAA CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2CN)cc1 1775965334 WUFMRGDYKQLCKW-UHFFFAOYSA-N 335.451 4.423 0 50 EIAA CC[C@H](C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1 363223 ZCFSFLGJXDDBTA-ZDUSSCGKSA-N 333.815 4.490 0 50 EIAA COc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 577613 MUUMQCAFDQDLPK-UHFFFAOYSA-N 349.415 4.324 0 50 EIAA CCc1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1 620081 KRKRMETVZDHYNR-UHFFFAOYSA-N 333.800 4.266 0 50 EIAA CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 2447006 UUVQCMRBTYJWIY-UHFFFAOYSA-N 334.448 4.334 0 50 EIAA Cc1c(C(=O)O)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 2469574 KYOBVVVMSRWFIV-ZDUSSCGKSA-N 325.408 4.232 0 50 EIAA CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccccn1 2542417 FSCHWCYLWWTVTF-UHFFFAOYSA-N 330.844 4.306 0 50 EIAA COc1ccc(/C=C2\Sc3nnc(C)n3N=C2C)c2ccccc12 2771010 VCDXGNXWVVXIFP-YVLHZVERSA-N 336.420 4.119 0 50 EIAA CC(C)CCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 2771490 CVYICWMTJASGBS-LLVKDONJSA-N 338.300 4.487 0 50 EIAA COc1ccccc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 2924608 UNAIIYVVHNOCGP-MRXNPFEDSA-N 336.218 4.149 0 50 EIAA CSc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 3907646 IWDFDGSIEMFHFH-UHFFFAOYSA-N 328.368 4.455 0 50 EIAA O=C(CN1CCCCCC1)Nc1c(Cl)cc(Cl)cc1Cl 5064526 OPMXNDCMXPYIIS-UHFFFAOYSA-N 335.662 4.461 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)c2ccc(O[C@@H](C)CC)cc2)c1 9230946 KXDGPFDACRYLRL-AWEZNQCLSA-N 340.423 4.465 0 50 EIAA CSc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 9667348 FOLIEAHZKHQPGD-SNVBAGLBSA-N 342.489 4.498 0 50 EIAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C[C@@H]1CC=CCC1 12430186 MYRYIPXWTXOKGR-HXUWFJFHSA-N 344.518 4.368 0 50 EIAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 18194885 OQQWIGJNUJLEHO-RKDXNWHRSA-N 347.629 4.149 0 50 EIAA Cc1cccnc1[C@@H](C)NC(=O)CSCc1ccccc1Cl 55228480 UVKUFGOEFSMHFQ-CYBMUJFWSA-N 334.872 4.154 0 50 EIAA Oc1ccc(-c2ccc(-c3nc(Cc4ccccc4)no3)cn2)cc1 72121113 VCLNLJKLSPQGGB-UHFFFAOYSA-N 329.359 4.095 0 50 EIAA Cc1cccc2[nH]c(C3CCN(Cc4ccnc(C(C)C)n4)CC3)nc12 72140515 NRLDETPQTHLVAY-UHFFFAOYSA-N 349.482 4.164 0 50 EIAA Cc1cccc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)c1 77339235 BDFRNZTVJUQHBU-OAQYLSRUSA-N 336.479 4.424 0 50 EIAA C[C@H](c1ccon1)N(C)C(=O)Nc1cccc(OC2CCCC2)c1 95521346 NQWPYTJXXSKEIT-CYBMUJFWSA-N 329.400 4.221 0 50 EIAA CCCSc1ccccc1NC(=O)N[C@H](CC)c1ccnn1C 96180496 KCMAWYSMGGOIMD-CYBMUJFWSA-N 332.473 4.195 0 50 EIAA CC(C)CN(Cc1ccncc1)C(=O)c1c[nH]nc1C1CCCCC1 97515199 AZJUMJAYKDGZRM-UHFFFAOYSA-N 340.471 4.151 0 50 EIAA CCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 100643657 PKNJGCOYTNRTQF-TXEJJXNPSA-N 346.477 4.088 0 50 EIAA Clc1cccc(C2(CN[C@@H](c3ccccc3)c3ncc[nH]3)CC2)c1 127237816 SRBIBCPZJWKDEL-SFHVURJKSA-N 337.854 4.474 0 50 EIAA CCNC(=O)c1ccc(NCc2csc(C(C)(C)C)n2)c(C)c1 153653631 ALPYHZTVOWEMCX-UHFFFAOYSA-N 331.485 4.111 0 50 EIAA Cc1ccc(CN[C@@H]2CCCNc3ccccc32)c(N2CCCC2)n1 170615554 QELGPGADFYGZIH-HXUWFJFHSA-N 336.483 4.027 0 50 EIAA C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CCc2c(Cl)cccc21 171779300 IWUYAFGXUGFGGG-KPZWWZAWSA-N 344.842 4.436 0 50 EIAA CSc1cccc(C)c1NC(=O)N1CCO[C@@H](c2ccsc2)C1 184956918 SWTUWFYFINUATO-CQSZACIVSA-N 348.493 4.384 0 50 EIAA CCOc1ccc(-c2nc(-c3oc(C)nc3C)cs2)cc1OC 225478648 YITISXBVYHTEQA-UHFFFAOYSA-N 330.409 4.489 0 50 EIAA C[C@@H]1CCCN(c2cc(-c3nc([C@H]4CCC(F)(F)C4)no3)ccn2)C1 291146338 YXLOOLDOJCEUBI-OCCSQVGLSA-N 348.397 4.271 0 50 EIAA C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1ccc(N2CCCC2)cc1 299772897 BFOLVDCRJLNHOP-OAHLLOKOSA-N 338.426 4.185 0 50 EIAA CCC1(CNC(=O)N(Cc2ccccn2)Cc2sccc2C)CC1 534588848 XUMXLYKVXTZKAR-UHFFFAOYSA-N 343.496 4.354 0 50 EIAA CCOP(=O)(CC(=O)Nc1c(Cl)cccc1Cl)OCC 1776004337 PBJWJERXOYFPFX-UHFFFAOYSA-N 340.143 4.198 0 50 EIAA O=C(N[C@H]1CC[C@H]2CC[C@H]1C2)c1nc(-c2ccccc2)ncc1Cl 1875357894 AZAVKJYBLZFTLU-INWMFGNUSA-N 341.842 4.106 0 50 EIAA C[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CC(C(C)(C)C)=NO3)ccc2C1 2325865131 ONBGYLDMEOPBGK-DYVFJYSZSA-N 343.471 4.124 0 50 EIAA CCOC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 64203 FEPKJTDJZSGUFN-ZHACJKMWSA-N 329.783 4.169 0 50 EIAA CCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1 1261095 XETLAZDQHVNYKT-UHFFFAOYSA-N 340.408 4.248 0 50 EIAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 2038593 NUSUWEUUEXDJDY-LRHSTEDWSA-N 342.479 4.149 0 50 EIAA CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccco2)cc1OC 2819056 BIZFLUVBAXHXDF-PKNBQFBNSA-N 342.395 4.069 0 50 EIAA O=C(Nc1c(F)cc(Br)cc1F)c1c(F)cccc1F 2842465 GEMZEXPYWHKHNP-UHFFFAOYSA-N 348.093 4.258 0 50 EIAA Cc1ccccc1OCCOc1ccc(C=O)cc1Br 2875691 HJCNSPWKPLTLNY-UHFFFAOYSA-N 335.197 4.028 0 50 EIAA O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccco1 4760905 YIWYBDWCUMGOJD-UHFFFAOYSA-N 336.178 4.084 0 50 EIAA O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCCCC1 5214437 YOURXQCLOFBWBM-UHFFFAOYSA-N 327.811 4.197 0 50 EIAA Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2ncccc12 9189737 QSVLHNOMFRBTDJ-UHFFFAOYSA-N 337.326 4.150 0 50 EIAA Cc1cc(S[C@H](C)C(=O)Nc2cccc(O)c2)nc2ccccc12 11907448 IYIDETBFUCKOBN-CYBMUJFWSA-N 338.432 4.368 0 50 EIAA Cc1csc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)n1 12000315 FUOOCPZWBVJJOO-UHFFFAOYSA-N 343.477 4.347 0 50 EIAA CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 12138258 HOWYWGLZULNODO-UHFFFAOYSA-N 336.435 4.298 0 50 EIAA O=c1nc(SCCOc2cccc3ccccc23)[nH]c2ccccc12 12512937 NBEATQUIIJPQEV-UHFFFAOYSA-N 348.427 4.247 0 50 EIAA C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 13320544 RFTZTFATXLMKOF-UFBFGSQYSA-N 336.741 4.048 0 50 EIAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)cc1C 15063693 FVOCSFKAOJMJHE-FQEVSTJZSA-N 332.451 4.051 0 50 EIAA Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c(C)c1 16651365 UAFRFTMOXWLWQR-UHFFFAOYSA-N 332.407 4.014 0 50 EIAA CCCCc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)n1 18093811 BWQVPJOMOLXFHB-UHFFFAOYSA-N 340.452 4.031 0 50 EIAA c1ccc(CCCN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1 20522042 CKODOBBUHFWGRN-UHFFFAOYSA-N 338.539 4.062 0 50 EIAA COc1ccc([C@@H](C)NCc2cnc(-c3cccc(C)c3)nc2)cc1 55404463 GRMCPHIOVCKUOH-MRXNPFEDSA-N 333.435 4.311 0 50 EIAA CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2cc(C)cc(F)c2)C1 65373461 RRDYJMAHQBOSQV-HKBOAZHASA-N 341.426 4.102 0 50 EIAA Cc1cccc(-c2cc([C@@H]3CCN(Cc4nccn4C)C3)ccn2)c1C 65385140 MVGIJGLYFIYYJE-LJQANCHMSA-N 346.478 4.088 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)c2ccc(F)cc2n1 72419406 CFIURXNMUUYXHS-HXUWFJFHSA-N 349.409 4.445 0 50 EIAA C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72426991 HWQKSGQVGQJOFK-HNNXBMFYSA-N 343.442 4.362 0 50 EIAA Cc1cc(C(=O)N(Cc2cccc(O)c2)C2CC2)c2cccc(C)c2n1 82114712 RIESFZVWCIQJKO-UHFFFAOYSA-N 346.430 4.362 0 50 EIAA Cc1cc(OC(F)F)ccc1NC(=O)N(C)CCC[C@@H]1CCCO1 96136143 BDZCOIALHOLESD-CYBMUJFWSA-N 342.386 4.019 0 50 EIAA COc1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1Cl 96139031 KDNSOEPTWNZKOZ-UHFFFAOYSA-N 345.830 4.155 0 50 EIAA Cc1cc(C)nc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 102987562 FZBFKPLJBKXMHI-VBNZEHGJSA-N 336.501 4.190 0 50 EIAA COC(=O)c1nc(Cl)c2cc(Oc3ccccc3)ccc2c1O 149190011 UMMWEAOVAUETLR-UHFFFAOYSA-N 329.739 4.173 0 50 EIAA O=C(Nc1cnn(-c2ccccc2F)c1)c1cc(Cl)ccc1F 156664020 UEYDSOSGQZGIHL-UHFFFAOYSA-N 333.725 4.056 0 50 EIAA O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccncc1Cl 174238051 RJAXVVRLDZNDLV-UHFFFAOYSA-N 338.754 4.124 0 50 EIAA CC(C)n1ncc2ccc(NC(=O)N3CCC[C@H](C4CC4)C3)cc21 289878142 XGSBMBVNKCOUAH-INIZCTEOSA-N 326.444 4.271 0 50 EIAA C[C@@H](CCc1c[nH]c2ccccc12)NCc1nc2ccc(F)cc2[nH]1 821175218 POKNEXAUWQXNKE-ZDUSSCGKSA-N 336.414 4.294 0 50 EIAA CSc1cccc(NC(=O)N2CC(Oc3cccc(C)c3)C2)c1 824944222 PAGXLPILIWCNSS-UHFFFAOYSA-N 328.437 4.012 0 50 EIAA O=C(NCc1c(F)cccc1Cl)c1cc(Cl)nc(Cl)c1 914339423 NBMFXPYOLYEUKW-UHFFFAOYSA-N 333.577 4.111 0 50 EIAA CN(Cc1sc2ccccc2c1Cl)C(=O)[C@@H]1CCC[C@H](O)C1 1074620590 FPFPXYQBMHBKJH-NEPJUHHUSA-N 337.872 4.064 0 50 EIAA Cc1ccc(N2CCC(NCc3cc(-c4ccco4)on3)CC2)cc1 1506417325 IPVACLJULMQSMG-UHFFFAOYSA-N 337.423 4.002 0 50 EIAA Fc1ccc([C@@H]2CCC[C@@H]2Nc2cnn(-c3ncccc3F)c2)cc1 2325827602 KXASDOQQZQRNFR-WMZOPIPTSA-N 340.377 4.294 0 50 EIAA C[C@H]1CCc2cc(NC(=O)NC[C@@H]3CC(C(C)(C)C)=NO3)ccc2C1 2325865132 ONBGYLDMEOPBGK-GUYCJALGSA-N 343.471 4.124 0 50 EIAA CSc1ccccc1NC(=O)CSc1nc2ccccc2o1 97802 BLMVMDDHWUMWMD-UHFFFAOYSA-N 330.434 4.281 0 50 EIAA COC(=O)c1c(NC(=O)c2ccco2)sc(C)c1-c1ccccc1 151130 NHPPDTGGRSWAKU-UHFFFAOYSA-N 341.388 4.355 0 50 EIAA COc1cc(OC)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 432106 YBCXUPVSCXGGJC-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 449630 WUIXLKOYYYMQDQ-UHFFFAOYSA-N 330.815 4.121 0 50 EIAA COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2Cl)c1 1194971 NZENPKFABLTYFQ-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA Nc1sc2c(c1C(=O)Nc1cccc(C(F)(F)F)c1)CCC2 2558468 KECBGHDNBUFRSB-UHFFFAOYSA-N 326.343 4.090 0 50 EIAA CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccco2)C1 2558528 DQGGBGSWOOCOBQ-NSHDSACASA-N 332.469 4.004 0 50 EIAA CC(C)(C)c1ccc(CSc2nnc(-c3cccs3)n2N)cc1 2578151 LAHCZENOWPBTJG-UHFFFAOYSA-N 344.509 4.310 0 50 EIAA Cc1cc(C)nc(NC(=O)c2sc3cccc(F)c3c2Cl)n1 4749378 ROQAFMWCNPQWJQ-UHFFFAOYSA-N 335.791 4.353 0 50 EIAA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 5101238 QCIUHVBEXODINX-UHFFFAOYSA-N 346.386 4.200 0 50 EIAA O=c1c2c(-c3ccc(F)cc3)ccnc2[nH]n1-c1ccc(Cl)cc1 9530651 CVOIINYQIFUBNQ-UHFFFAOYSA-N 339.757 4.173 0 50 EIAA Fc1ccc(CN[C@H]2CCCc3nc(-c4ccccc4)ncc32)cc1 12701806 BGPUVJVVCFRTHY-IBGZPJMESA-N 333.410 4.450 0 50 EIAA CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O)O 64859603 VPXVODYVPILPRC-ZGATWMQVSA-N 336.472 4.158 0 50 EIAA in-vitro CN(Cc1cc(-c2ccccc2)no1)C(=O)Cc1c[nH]c2ccccc12 72476068 AIIYOOBUYXJYLJ-UHFFFAOYSA-N 345.402 4.024 0 50 EIAA COCC1(N(C)C(=O)Nc2ccc(-c3ccccc3OC)cc2)CC1 95516978 BIPSCLDDCFXYQY-UHFFFAOYSA-N 340.423 4.005 0 50 EIAA CSC[C@@H]1CCCN(C(=O)c2cc(C)nc3ccc(C)cc23)C1 97602598 CURKEVJNMWONQH-OAHLLOKOSA-N 328.481 4.067 0 50 EIAA O=C(Nc1ccc(Cl)cc1F)c1csc([C@@H]2CCCO2)n1 157926155 VGXSEMFFWNLAAF-LBPRGKRZSA-N 326.780 4.039 0 50 EIAA Cc1sc2nc([C@@H](C)N3CCC[C@H](C(C)C)CC3)[nH]c(=O)c2c1C 170627032 VIXKSAZKHSYMDJ-HIFRSBDPSA-N 347.528 4.421 0 50 EIAA Cc1nnc([C@H](C)N2CCC(Oc3ccc(C)c(C)c3)CC2)s1 241338660 MCVKBSHGJBSYKP-AWEZNQCLSA-N 331.485 4.068 0 50 EIAA CC[C@@H](NC(=O)CSCc1ccccc1C)c1cc(C)ccn1 299772258 UIGSFUIMZBOUKS-QGZVFWFLSA-N 328.481 4.199 0 50 EIAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC(C)(C)c1ccc(C)nc1 330841624 ZXTNOQVMUXOUNE-OLMNPRSZSA-N 332.488 4.115 0 50 EIAA COc1ccc([C@@H](NCc2ncc[nH]2)c2ccccc2Cl)c(C)c1 408512997 IDHQCJKULORJDE-LJQANCHMSA-N 341.842 4.259 0 50 EIAA CCCC[C@H]1C=CCN1C(=O)Nc1ccc(-c2nnc(C)o2)cc1 426533752 HCYYLPFLHKOKIX-INIZCTEOSA-N 326.400 4.008 0 50 EIAA CC(=O)c1ccccc1-c1cccc(C(=O)N2CCC(F)(F)CC2)c1 426705595 FLNKVRKFQJBYOI-UHFFFAOYSA-N 343.373 4.428 0 50 EIAA Fc1cccc([C@@H]2CCN2Cc2c[nH]nc2-c2ccccc2F)c1 678284118 VORJKYYRFMECLX-SFHVURJKSA-N 325.362 4.302 0 50 EIAA CCCc1ccc(-c2ccc(C(=O)N3C[C@H]4C[C@@H](O)C[C@H]4C3)cc2)cc1 1775980760 AHLOQVXAKSOCKH-KOUNCHBCSA-N 349.474 4.149 0 50 EIAA CCCC[C@@H]1CN(C(=O)c2ccccc2OCC)C[C@H](C(C)C)O1 1857718898 YQJQFIOUFVCLGV-VQIMIIECSA-N 333.472 4.141 0 50 EIAA C[S@](=O)c1ccc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1F 1875264547 MMDWAGMTZYTBNI-WXQIDZRNSA-N 335.419 4.450 0 50 EIAA COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1 133696 OTSIZAQNKAKRIQ-WEVVVXLNSA-N 331.799 4.318 0 50 EIAA CCN1CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc23)CC1 137417 GCUZNVMJVDRJHQ-UHFFFAOYSA-N 346.478 4.056 0 50 EIAA OCCn1c(SCc2cccc3ccccc23)nc2ccccc21 195288 DFLOGPUNCDEFCX-UHFFFAOYSA-N 334.444 4.474 0 50 EIAA Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)C=CS1 314416 NZBLEWUCLAJCPX-ZDUSSCGKSA-N 326.446 4.284 0 50 EIAA COc1cccc(C(=O)Nc2c(C)cc(Br)cc2C)c1 452114 LBYXADGQKNQFBW-UHFFFAOYSA-N 334.213 4.327 0 50 EIAA CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1cccc(C)c1C)C2=O 462984 FZOGZKHVBWLVGR-UHFFFAOYSA-N 343.382 4.460 0 50 EIAA Cc1ccccc1OCC(=O)NCCSCc1cccc(Cl)c1 2982954 DWFDTYGKZAVWOY-UHFFFAOYSA-N 349.883 4.077 0 50 EIAA Clc1ccc(OCCCCN2CCCC2)c(Br)c1 3003116 DOBYUSNKDOEUQS-UHFFFAOYSA-N 332.669 4.357 0 50 EIAA COc1cccc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)c1 4104213 MIYKEXYJHVOSKW-VAWYXSNFSA-N 344.370 4.158 0 50 EIAA CO[C@@H](C(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1 4701775 RZCAVESSSFYYCZ-QGZVFWFLSA-N 349.883 4.077 0 50 EIAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 4911750 KDEBQLQNMYHNDO-GFCCVEGCSA-N 345.826 4.456 0 50 EIAA COCCSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5245728 PPUBOINGGSKUMJ-UHFFFAOYSA-N 344.480 4.042 0 50 EIAA CCCc1ccc2oc(C(=O)N(C)Cc3nccs3)c(C)c2c1 11950406 GSWAFJJYOAKYDQ-UHFFFAOYSA-N 328.437 4.422 0 50 EIAA OC[C@]1(CCc2ccccc2)CCCN(C/C=C/c2ccccc2)C1 12441526 OQPLGNISNWHIEG-ZFLSFVSKSA-N 335.491 4.407 0 50 EIAA CCc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)s1 13744443 MVASMBZGTYPAMX-UHFFFAOYSA-N 348.899 4.235 0 50 EIAA COc1ccccc1-c1cc2nc(C)cc(N3CCCCCC3)n2n1 15670909 RZVSOVYEZFWTBL-UHFFFAOYSA-N 336.439 4.094 0 50 EIAA Cc1cc(Cl)cc(C)c1OCCCCCCN1CCOCC1 19721079 FWKPECPNZCJYIX-UHFFFAOYSA-N 325.880 4.228 0 50 EIAA c1ccc2oc(-c3n[nH]cc3CN3CCc4sccc4C3)cc2c1 23192459 RBLBNWJSWGVPFJ-UHFFFAOYSA-N 335.432 4.443 0 50 EIAA O=C(c1ccc(N2CCCC2)nc1)N1CCC[C@@H](c2ccccc2)CC1 66762247 FSGANIUELFXPSA-LJQANCHMSA-N 349.478 4.092 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)ccc1O 71721670 KONBRAGMXSRMIT-KRWDZBQOSA-N 341.426 4.325 0 50 EIAA COc1cccc(-c2nccn2-c2cccc3ncccc23)c1OC 72165737 LDYVEBNCOKVTHI-UHFFFAOYSA-N 331.375 4.105 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)Nc1cccc(-n2cccn2)c1 78906687 HWXZOTRAKIMKRI-UHFFFAOYSA-N 326.425 4.013 0 50 EIAA Cc1ccc(CS(=O)(=O)N[C@H](C)c2cc3ccccc3o2)c(F)c1 170613293 CDQHRLTZQKZPEC-CYBMUJFWSA-N 347.411 4.061 0 50 EIAA Cc1cc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c(C)o1 212588141 VEVYCBOIIPZFGK-CTNGQTDRSA-N 349.430 4.040 0 50 EIAA O=C(c1cc2ccccc2s1)N1CCC[C@H]1C[C@H](O)c1ccco1 268342817 PMJZVLFVZRVJKB-GJZGRUSLSA-N 341.432 4.223 0 50 EIAA O=C(C1CCC(C(F)(F)F)CC1)N1CCc2cc(F)ccc2C1 277809875 INPDEYFCWYRNKE-UHFFFAOYSA-N 329.337 4.079 0 50 EIAA Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c2c(C(C)C)noc2n1 291136394 OPRSNGMAZXUKNE-KRWDZBQOSA-N 339.439 4.059 0 50 EIAA Cc1sccc1CC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 346261262 ZAOPONIVUUZLQN-MSOLQXFVSA-N 347.455 4.117 0 50 EIAA C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)C[C@@H]1CCOC1 366519943 ZLFUJKXXHATKGQ-IEGUWTFLSA-N 349.474 4.018 0 50 EIAA CN(Cc1ccc2ncccc2c1)C(=O)NC1(C2CCCCC2)CC1 534644214 JDMFUBOPBPLMQE-UHFFFAOYSA-N 337.467 4.489 0 50 EIAA COc1c(C)cc([C@H](C)NC2CC(N3CCCCC3)C2)cc1Cl 796979569 GRBIJXOORNHALS-OOHWJJMZSA-N 336.907 4.325 0 50 EIAA C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(C(F)F)nc1 850457883 PLKNEQSMSJVHLD-KGLIPLIRSA-N 347.409 4.417 0 50 EIAA Cc1ncoc1CNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 868505482 ZWTDOEHMNQJGAF-JKSUJKDBSA-N 332.831 4.227 0 50 EIAA Cc1cc(NC(=O)[C@@H](C)Cc2ccccc2)cc2sc(N)nc12 952965780 CONMEZREFDVBEP-LBPRGKRZSA-N 325.437 4.004 0 50 EIAA Cc1ccccc1[C@@H]1CCN(CCNc2nnc(C)c3ccccc23)C1 1529191947 KGOYLUKUPSPCBB-GOSISDBHSA-N 346.478 4.148 0 50 EIAA Cc1oc2ccccc2c1CC(=O)Nc1cn(Cc2ccccc2)cn1 1875341144 HUTXDVWHAFLKRJ-UHFFFAOYSA-N 345.402 4.167 0 50 EIAA CCCCCCn1ccc(=O)c(OCc2csc3cncn23)c1C 2325801588 OLHSQZPWOGUDHY-UHFFFAOYSA-N 345.468 4.025 0 50 EIAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccccc1F 97518 LFEWTCBWSJWDTM-UHFFFAOYSA-N 346.365 4.120 0 50 EIAA Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C)c(C)c3)nc2c1 106073 WYFSNUWPZSTSMS-UHFFFAOYSA-N 325.437 4.219 0 50 EIAA CC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 217182 IJNHTASYCHKLAZ-CQSZACIVSA-N 334.419 4.439 0 50 EIAA CCOc1ccc(NCC(=O)c2ccc(Br)cc2)cc1 287762 KBYSVKYFCHCMAN-UHFFFAOYSA-N 334.213 4.143 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2F)cc1Cl 359671 YQQFNNGRSPNYIT-UHFFFAOYSA-N 340.782 4.053 0 50 EIAA Cc1cc(O[C@H](C)C(=O)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 533498 FTRGKXDQXIEDQM-OAHLLOKOSA-N 336.387 4.368 0 50 EIAA Cc1cc(OCCCCn2cnc3ccccc3c2=O)ccc1Cl 2862984 OMMHGNWJKJQAOS-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1ccccc1)c1ccccc1 2875694 SBJFBNCYLLCAJF-MSOLQXFVSA-N 347.505 4.068 0 50 EIAA COc1ccccc1NC(=O)COc1c(Cl)cccc1Cl 4542113 QEBNYZAUKVSUSB-UHFFFAOYSA-N 326.179 4.020 0 50 EIAA CC(C)(C)c1ccc(OCc2nnc(S)n2-c2ccccc2)cc1 4711314 XXZKSFOFVGQVCX-UHFFFAOYSA-N 339.464 4.433 0 50 EIAA COc1ccc(C(c2ccc(OC)cc2)n2nnc3ccccc32)cc1 5359532 FSQWADSRLRFJIF-UHFFFAOYSA-N 345.402 4.086 0 50 EIAA COc1cc(OC)c(NC(=O)c2csc(C)c2C)cc1Cl 13326338 VKDYUEMCRHPXMB-UHFFFAOYSA-N 325.817 4.288 0 50 EIAA Cc1cccc(NC(=O)CCC2CCN(C3CCSCC3)CC2)c1 15061716 JTJRRQXSVFSNMU-UHFFFAOYSA-N 346.540 4.321 0 50 EIAA CCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)s2)ns1 21806056 RJKZJZQTLQVWOY-UHFFFAOYSA-N 345.449 4.226 0 50 EIAA N[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 39160105 ZBGBEDOUDIAIHO-OAQYLSRUSA-N 349.499 4.031 0 50 EIAA COc1cccc([C@@H]2CCCCN2Cc2cnc(-c3ccco3)nc2)c1 72423801 CYHBIKTUWFYMPG-IBGZPJMESA-N 349.434 4.472 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2cccc(N(C)C)c2)c1 77342898 DKJMNZLZVCRPPM-HXUWFJFHSA-N 338.451 4.129 0 50 EIAA CCN(CCc1nccs1)C(=O)[C@@H](C)c1cc2ccccc2o1 131641633 MCFREOBLMGXCEE-ZDUSSCGKSA-N 328.437 4.084 0 50 EIAA Cc1cc(Nc2ncncc2-c2nc(-c3ccccc3)no2)ccc1F 169775576 NJSRNQABFBQCMV-UHFFFAOYSA-N 347.353 4.385 0 50 EIAA O=C(CCC1CCC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 183989409 NIQLCFBKQTVVTE-INIZCTEOSA-N 341.373 4.186 0 50 EIAA CC[C@@](C)(NC(=O)c1scnc1C1CCCC1)c1nccs1 184952189 RHWDCLGAWSFDLE-MRXNPFEDSA-N 335.498 4.312 0 50 EIAA COc1ccc(C(=O)N2CCCC2)cc1N[C@H]1CCCc2occc21 193204256 VIMDDOFIVFQNKX-INIZCTEOSA-N 340.423 4.014 0 50 EIAA CC(=O)Nc1cccc([C@@H](C)OC(=O)Cc2ccccc2Cl)c1 193868893 XNTXQOMRNDMZSC-GFCCVEGCSA-N 331.799 4.145 0 50 EIAA COCc1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)s1 215891535 KUWKYZQMDLRGBH-UHFFFAOYSA-N 339.460 4.095 0 50 EIAA O=C(c1cnc2c(Cl)cc(C(F)(F)F)cn12)C(F)(F)Cl 261494815 JGSCZMKPJYKUSS-UHFFFAOYSA-N 333.043 4.021 0 50 EIAA Cc1cc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)cc(C)n1 299762016 UKOIRKIITHHQDW-MRXNPFEDSA-N 328.843 4.372 0 50 EIAA Cc1cc2occ(CC(=O)N(C)CCC[C@H]3CCCO3)c2cc1Cl 299773547 FPQPVYKQYIIDHC-HNNXBMFYSA-N 349.858 4.355 0 50 EIAA O=C(N=c1cc(C2CCCCC2)[nH][nH]1)c1ccccc1C(F)(F)F 332666469 OIEOKJBHGQSNJQ-UHFFFAOYSA-N 337.345 4.150 0 50 EIAA OCC[C@@H](N[C@@H]1CCCOc2cc3c(cc21)CCCC3)c1ccco1 376881872 KBOSVJXWVYBVSQ-RTBURBONSA-N 341.451 4.085 0 50 EIAA Cc1oc2c(c1C(=O)Nc1nc3c(F)cccc3s1)C(=O)CCC2 1529181871 XLVIVQQNXQQBCR-UHFFFAOYSA-N 344.367 4.108 0 50 EIAA COc1cc2c(c(C(=O)OCCC3C[C@@H](C)C[C@H](C)C3)c1)OCC2 1875357294 ADGPKTATDBHCII-KBPBESRZSA-N 332.440 4.249 0 50 EIAA NC(=O)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 282316 GPYPKGJDNITRCU-LJQANCHMSA-N 337.467 4.461 0 50 EIAA Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 441624 PGCULNYMDLOJPI-LBPRGKRZSA-N 338.234 4.386 0 50 EIAA NC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCCC2 473701 CHOUBSQHHKJYAB-UHFFFAOYSA-N 334.485 4.025 0 50 EIAA CCOc1nc(-c2ccccc2)c2cc(Br)ccc2n1 523421 QRPZXZIHUFTUNT-UHFFFAOYSA-N 329.197 4.458 0 50 EIAA CC(C)C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)C(C)C)ccc1-2 544531 YAFKAARWKDBARX-UHFFFAOYSA-N 336.435 4.447 0 50 EIAA COc1cc(C(=O)Nc2ccccc2C(C)(C)C)cc(OC)c1OC 614168 LBGWURBADROZBS-UHFFFAOYSA-N 343.423 4.262 0 50 EIAA CSc1ccccc1NC(=O)[C@H]1CC(c2ccccc2Cl)=NO1 614591 KOXOSXCCJMDFCZ-OAHLLOKOSA-N 346.839 4.194 0 50 EIAA COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)cc1Cl 1392293 KSOSROHMYHNWTR-UHFFFAOYSA-N 346.235 4.111 0 50 EIAA CCCC[C@H](CC)[C@@H]1NC(=O)N(SC(Cl)(Cl)Cl)C1=O 1759672 VOGJJBHRUDVEFM-YUMQZZPRSA-N 347.695 4.099 0 50 EIAA in-man Cc1ccc(CN[C@H](C)c2cnc(N3CCCCCCC3)nc2C)o1 12594336 YSKFTIPLAZEPJM-MRXNPFEDSA-N 342.487 4.308 0 50 EIAA CCc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1 28292832 UMFIIZVRAOPKMB-NRFANRHFSA-N 336.479 4.124 0 50 EIAA C[S@](=O)c1cccc(N[C@H](c2ccccc2)c2ccc(F)cn2)c1 170594425 LYCQSKLLUKYIPA-DVECYGJZSA-N 340.423 4.160 0 50 EIAA Cc1cc(F)ccc1C1CCN(C(=O)[C@H]2CCC[C@@H](C(=N)O)C2)CC1 332400782 VKMBAKZVSFWCEY-CVEARBPZSA-N 346.446 4.182 0 50 EIAA CC(C)c1ccc(-c2ccc(C(=O)N3CC=C[C@H]3C(C)C)cc2)nn1 534642976 LTVAQTYNHHEMEN-FQEVSTJZSA-N 335.451 4.304 0 50 EIAA CC(C)C[C@@H](NC(=O)N1CCO[C@@](C)(C2CC2)C1)c1cccs1 663770858 DMRZAKIVNWZNPV-CRAIPNDOSA-N 336.501 4.046 0 50 EIAA C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 732544155 PVRXVQZNEUMIOU-SECBINFHSA-N 334.206 4.361 0 50 EIAA COc1cccc2c(N3CCC(c4ncc[nH]4)CC3)nc(Cl)cc12 892151129 LUYQBWIZNQPJSJ-UHFFFAOYSA-N 342.830 4.004 0 50 EIAA Cc1cc(Br)c(C)c(Br)c1OC(F)F 953061417 VLPMNTPWLHLSCS-UHFFFAOYSA-N 329.966 4.430 0 50 EIAA COc1cccc(-c2cc(CNc3nc4cccc(C)c4o3)on2)c1 1187725080 YUYRONPRUVYRKA-UHFFFAOYSA-N 335.363 4.412 0 50 EIAA Clc1cc(Br)ccc1-c1nnc([C@H]2CCCCO2)o1 1257911633 WKSGGNXCSWRHIR-LLVKDONJSA-N 343.608 4.394 0 50 EIAA Cc1ccccc1C1CC(N(C(=O)c2cnc3cc[nH]c3c2)C2CC2)C1 1857528119 IHOGEGXQIPQYNK-UHFFFAOYSA-N 345.446 4.422 0 50 EIAA c1cncc(-c2ccc(-c3nccn3CC[C@H]3CCCOC3)cc2)c1 1857700584 JMJKFELWRMTJRZ-QGZVFWFLSA-N 333.435 4.429 0 50 EIAA COc1ccc(COC(=O)[C@@]2(C)C[C@@H]2F)cc1SC(F)(F)F 1875309440 SYUKJDQASNSRQK-AAEUAGOBSA-N 338.322 4.098 0 50 EIAA COC(=O)c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 93557 SLOUFJRQBSIGCL-UHFFFAOYSA-N 339.420 4.100 0 50 EIAA COc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1 246714 CUIAGSJVJLOHAN-UHFFFAOYSA-N 326.377 4.261 0 50 EIAA biogenic CC(C)c1ccc(CNC(=O)/C=C/c2nc3ccccc3n2C)cc1 314111 CWCNHLXTORBDPU-OUKQBFOZSA-N 333.435 4.026 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 452459 DMGQTIGGCUFODT-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(C)c2)c1 456721 LHBNHNPVFNCZLL-ZDUSSCGKSA-N 342.464 4.341 0 50 EIAA CCCCc1ccc(NC(=O)C(=S)NCc2ccccc2)cc1 2534495 UFISJYXCCAIXMN-UHFFFAOYSA-N 326.465 4.085 0 50 EIAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 2851559 KQHOXIMPJNTCGJ-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA O=C1c2ccccc2C(=O)N1CCCSc1ccc(Cl)cc1 2868258 CYELPFDBWKUKKE-UHFFFAOYSA-N 331.824 4.118 0 50 EIAA CN(C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 4263719 SOWLIVQHBWMDLN-OTNIWXAGSA-N 349.559 4.235 0 50 EIAA Cc1cc(Cl)c2oc(C(=O)N3CCC[C@H](CCCO)C3)c(C)c2c1 12058394 UMIBJQWESSRFNZ-CQSZACIVSA-N 349.858 4.328 0 50 EIAA O=C(c1cc(Cl)ccc1F)N1CCC[C@H](Nc2ccccc2)C1 12431719 FKWOGDDSLJQNGH-HNNXBMFYSA-N 332.806 4.196 0 50 EIAA COc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 17146838 PZZFBFKFKZTMTB-UHFFFAOYSA-N 328.375 4.444 0 50 EIAA CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cc1 20604335 HFFHGJALZVCZBZ-UHFFFAOYSA-N 347.390 4.158 0 50 EIAA CCOC(=O)[C@@H]1CCCN(c2cc(C)c3ccc(SC)cc3n2)C1 23634831 HJDFBPCQUGOYOL-CQSZACIVSA-N 344.480 4.045 0 50 EIAA CC(C)n1cc(-c2cc(C(=O)N3CCC[C@H]3C)c3ccccc3n2)cn1 63855424 VTRSBXDRLXSNQB-OAHLLOKOSA-N 348.450 4.304 0 50 EIAA Cc1ccc2nc(N3CCC[C@@H](Cn4ccnc4C)C3)sc2c1 77392793 LXZGCGOFMANZLF-HNNXBMFYSA-N 326.469 4.026 0 50 EIAA O=C(c1cnn2ccccc12)N1CCCC[C@H]1CCc1cccs1 82092383 FFWXCSVXPRILQX-HNNXBMFYSA-N 339.464 4.023 0 50 EIAA Cc1noc(C)c1[C@H]1CCCN1Cc1ccc(-c2cc[nH]n2)s1 97609993 HWESXJSWQHPAHJ-OAHLLOKOSA-N 328.441 4.080 0 50 EIAA Cc1ccc([C@@H](O)CSc2nnc3sc4ccccc4n23)cc1 170003017 IHSSMZJLRROSLA-AWEZNQCLSA-N 341.461 4.078 0 50 EIAA C[C@@H]1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)[C@H](c2ccco2)C1 170084603 NRNIZVUHUVFVLY-ZWYHUYAOSA-N 346.452 4.022 0 50 EIAA CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2cccc(F)c2)c1 221290826 REXDAJSXMNRXLF-LJQANCHMSA-N 327.399 4.134 0 50 EIAA CC(C)n1ncc2cc(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)cnc21 239672478 BTFIHOWTGMEPDX-RVKKMQEKSA-N 340.471 4.101 0 50 EIAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCn2nccc2C)ccc1F 244774228 PPYWGPNEJKPMKA-REPLKXPHSA-N 327.447 4.050 0 50 EIAA O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCCC[C@H]1c1nccs1 247070824 CFJIZSOFFPKXDY-JMSVASOKSA-N 348.418 4.279 0 50 EIAA C[C@H](NC[C@@H]1CCCN(C)[C@H]1c1cccs1)c1cncc(F)c1 248149335 QNWGPYRIGBWJJF-SUNYJGFJSA-N 333.476 4.016 0 50 EIAA COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)Nc1ccncc1 286477054 OEEBSQFDLZKZEW-WMLDXEAASA-N 325.412 4.095 0 50 EIAA Cc1cnc(CCSc2nn(-c3ccccc3)c(=S)s2)cn1 408514070 GTDUZLAFARKLNG-UHFFFAOYSA-N 346.506 4.097 0 50 EIAA CC(C)n1ccnc1-c1csc(C[C@@H](C)n2cc(Cl)cn2)n1 408523363 JCMHTMVOWNIRTF-LLVKDONJSA-N 335.864 4.241 0 50 EIAA Cc1cccc(Oc2ccccc2C(=O)Nc2cccc(C(N)=O)c2)c1 440408640 KLKCAONXXCGPII-UHFFFAOYSA-N 346.386 4.139 0 50 EIAA O=c1nc(-c2c[nH]c3ccccc23)[nH]c2cc(Cl)c(Cl)cc12 485369456 GNTGRSUPHJOKEG-UHFFFAOYSA-N 330.174 4.378 0 50 EIAA C[C@H](c1cccnc1)N(C)C1CCN(c2ccc(Cl)cc2)CC1 952869210 GCIXMUYTPHSOPJ-OAHLLOKOSA-N 329.875 4.397 0 50 EIAA CSc1cccc(CN(C(=O)c2ncoc2C2CC2)C(C)C)c1 952975950 MHGARUJYHGCMSM-UHFFFAOYSA-N 330.453 4.325 0 50 EIAA O=C(Nc1cccc2ccccc12)N[C@H](C[C@@H]1CC=CCC1)C(=O)O 2325824201 SZZVTMACEVNCEI-RDTXWAMCSA-N 338.407 4.161 0 50 EIAA CCOc1ccccc1OCC(=O)Nc1nc2ccc(C)cc2s1 145238 HRHLEAVVWPMJFW-UHFFFAOYSA-N 342.420 4.021 0 50 EIAA CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1[C@H](C)CCC2 151308 LSDNBQJAHQGYHI-LLVKDONJSA-N 344.436 4.012 0 50 EIAA COc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)cc1 228398 JBEJSTKZNAJVSC-RUDMXATFSA-N 336.218 4.332 0 50 EIAA COC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCCCCC2 475388 XQNHOUPQNZPSCD-UHFFFAOYSA-N 335.469 4.322 0 50 EIAA O=C(NCCOCc1ccccc1)C(c1ccccc1)c1ccccc1 2190108 RLJYJYSAMFDBFK-UHFFFAOYSA-N 345.442 4.152 0 50 EIAA C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)c1ccccc1 2437383 WYTHPKBZSXXHOS-CQSZACIVSA-N 348.398 4.322 0 50 EIAA CC(C)(C)NCCOCCOc1c(Cl)cc(Cl)cc1Cl 2981044 ZHRMLJXCGIREHG-UHFFFAOYSA-N 340.678 4.430 0 50 EIAA CCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 2997914 QGQLAZGAODYYFV-UHFFFAOYSA-N 339.844 4.320 0 50 EIAA CC(C)(C)CC(=O)Nc1nnc(CSCc2ccccc2)s1 4731661 XNXJTNMKKSPAPR-UHFFFAOYSA-N 335.498 4.346 0 50 EIAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 11024003 CUZYYBBWGOTCTF-HBUDHLSFSA-N 343.442 4.279 0 50 EIAA C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H]1CCCO1 12383244 KJKARWKNWLOOHS-KFKAGJAMSA-N 341.476 4.204 0 50 EIAA O/N=c1/oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 13629855 RJCPRRWHWXOPMI-XUTLUUPISA-N 325.408 4.239 0 50 EIAA CN(CC[C@H]1CCCCO1)Cc1c[nH]nc1-c1cc2ccccc2o1 23368404 LGPATBOCBZMPAJ-QGZVFWFLSA-N 339.439 4.214 0 50 EIAA O[C@@H]1C[C@@](O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 25762861 MAOWNDYORGAXCL-NFBKMPQASA-N 328.411 4.250 0 50 EIAA Cc1cccc([C@H](Nc2nccc(-c3ccc(C)nc3C)n2)C2CC2)n1 71589522 YBRGNBLMMUWBJT-HXUWFJFHSA-N 345.450 4.422 0 50 EIAA CC(C)n1ccnc1[C@@H]1CCCN(Cc2ccccc2-n2cccn2)C1 95363193 LRXHMWXUYBKGDA-LJQANCHMSA-N 349.482 4.029 0 50 EIAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(-n2cccn2)c1 97729443 CGRPGSKVOGUBGW-FQEVSTJZSA-N 331.419 4.158 0 50 EIAA C[C@@H]1CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CCCO1 171271400 BJCNIYIQIUWLKE-SECBINFHSA-N 344.263 4.459 0 50 EIAA Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 189007138 ABCYOGXPACPYJG-OAHLLOKOSA-N 342.439 4.214 0 50 EIAA CCCC[C@H](NC(=O)Cc1ccc(SC)cc1)c1cccnc1 223076642 SDYWEJYYVULOLX-SFHVURJKSA-N 328.481 4.394 0 50 EIAA O=C(Nc1ccccc1)O[C@H]1[C@H]2CC[C@H]1[C@@H](N1CCCCC1)CC2 245380309 WALSPJVXZJWMIB-WNHJNPCNSA-N 328.456 4.278 0 50 EIAA C[C@@H](NC(=O)CN1CC(C)(C)[C@@H]1c1cccs1)c1ccc(F)cc1 253419779 IGUHDHLVAMVZBW-ACJLOTCBSA-N 346.471 4.148 0 50 EIAA CCCc1occc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 281438439 RYFVOYSESMSDSA-VQIMIIECSA-N 345.414 4.364 0 50 EIAA CC(C)[C@H]1N(C(=O)CCc2ncc(-c3ccccc3)o2)CC1(C)C 293890337 LCSIWBJFGVLOTG-LJQANCHMSA-N 326.440 4.167 0 50 EIAA COC1CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1 408518740 XJFBUARGWWDQLE-UHFFFAOYSA-N 329.149 4.022 0 50 EIAA Cc1cnc(CCCC(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)o1 456754872 JDQPXQYZVDIIOG-UHFFFAOYSA-N 344.430 4.071 0 50 EIAA Clc1cc(Br)ccc1-c1nnc([C@@H]2CCCCO2)o1 1257911634 WKSGGNXCSWRHIR-NSHDSACASA-N 343.608 4.394 0 50 EIAA CC(=O)Nc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1752705 VELGBZNEBGPQDM-UHFFFAOYSA-N 337.301 4.308 0 50 EIAA CCOc1cc(CO)cc(Cl)c1OCc1ccccc1Cl 2818918 FHCCLHJONNWRPR-UHFFFAOYSA-N 327.207 4.463 0 50 EIAA C/C=C/c1ccc(OCCOc2ccccc2C(C)=O)c(OC)c1 2991254 DLBRAMZXJUDRPB-QPJJXVBHSA-N 326.392 4.389 0 50 EIAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2ccccc2c1 7721228 NMIJRKBWXSJTPW-UHFFFAOYSA-N 343.386 4.162 0 50 EIAA CSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 10542991 JYJJLXGCZULRFQ-OAHLLOKOSA-N 327.449 4.441 0 50 EIAA CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 12138243 KDXSNPOVAUJRMF-GFCCVEGCSA-N 330.815 4.121 0 50 EIAA Cc1cc([C@@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)on1 53400684 SSDCASCLPNARTR-LBPRGKRZSA-N 345.449 4.145 0 50 EIAA Cc1cc(C)cc(C(=O)NCc2cccnc2Oc2ccc(C)nc2)c1 67769598 PZQUDZRARHFHAH-UHFFFAOYSA-N 347.418 4.124 0 50 EIAA O=C(c1cccc(O)c1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71751625 APJWRSZXGMXRFI-AWEZNQCLSA-N 345.389 4.155 0 50 EIAA Cc1cc2nc(-c3ccccc3)cc(NCc3nccn3C(C)C)n2n1 72473127 FJQNBYVBJKQWCG-UHFFFAOYSA-N 346.438 4.094 0 50 EIAA Cc1ccc2nc(N3CCC[C@H](Cn4ccnc4C)C3)sc2c1 77392785 LXZGCGOFMANZLF-OAHLLOKOSA-N 326.469 4.026 0 50 EIAA CCCCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccccc2C)C1 95352054 QVTBZXXLMRMQNF-KRWDZBQOSA-N 340.471 4.403 0 50 EIAA Cc1nc(-c2cccc(NC(=O)Cc3c(F)cccc3F)c2)oc1C 124327322 JMTXGFMGLFVRSP-UHFFFAOYSA-N 342.345 4.418 0 50 EIAA C[C@H](NCCCc1nc(-c2ccncc2)cs1)c1cccc(O)c1 194924086 MRAPMCBEUCQZTH-AWEZNQCLSA-N 339.464 4.194 0 50 EIAA COCC1(Cc2noc([C@@H]3C[C@@H]3c3c(F)cccc3Cl)n2)CC1 225600184 TUEQFEQSUDWWDQ-WDEREUQCSA-N 336.794 4.102 0 50 EIAA C[C@H](C(=O)Nc1cccc2cnccc12)[C@H]1OCCc2sccc21 295508956 USETZWGLZHRZTL-KPZWWZAWSA-N 338.432 4.185 0 50 EIAA CC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1F 764747346 HHCMMOAIRPEFBU-SJORKVTESA-N 325.786 4.393 0 50 EIAA COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc3c(O)nccc13)CCC2 1157888053 DOZJKODGFIFFPT-KRWDZBQOSA-N 348.402 4.008 0 50 EIAA CC(C)c1nc2cc(NC(=O)Cc3c[nH]c4cnccc34)ccc2o1 1326447673 VYOLFXWQBSACRW-UHFFFAOYSA-N 334.379 4.009 0 50 EIAA O=C(NC(=S)Nc1ccccc1Cl)c1cccc(Cl)c1 361114 KKLRGCQRBFULPA-UHFFFAOYSA-N 325.220 4.120 0 50 EIAA C[C@H]1C[C@H](NC(=O)c2ccc(Br)s2)CC(C)(C)C1 376616 DFYTWDOEZSZJGX-UWVGGRQHSA-N 330.291 4.455 0 50 EIAA CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C)cc3)cc12 408759 GVDYIHHMKFNESW-UHFFFAOYSA-N 338.359 4.446 0 50 EIAA biogenic CCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3C)nc2c1 455978 XYESGJNOIDUBGC-UHFFFAOYSA-N 339.420 4.026 0 50 EIAA Cc1cc(C)cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 456785 CMRNSEVQQYDYLN-UHFFFAOYSA-N 332.856 4.013 0 50 EIAA Cc1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1C 465387 MNUQMBMIBFSFFD-UHFFFAOYSA-N 330.844 4.225 0 50 EIAA COc1cc2c(cc1OC)[C@@H](c1cccc3ccccc13)CC(=O)N2 1461152 YTQWNWFQZKCQPK-MRXNPFEDSA-N 333.387 4.331 0 50 EIAA Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 2889914 LQSVBCTXPGYEEC-CYBMUJFWSA-N 349.217 4.046 0 50 EIAA Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)c(C)o1 3415303 TUYCVEKDAWBSEH-UHFFFAOYSA-N 330.128 4.189 0 50 EIAA CCOc1ccccc1[C@H]1CC(=O)Nc2c1ccc1c(O)cccc21 4913787 VJVVABBCONFBTH-QGZVFWFLSA-N 333.387 4.418 0 50 EIAA CCN(CC)CCn1c(NCc2ccc(C)cc2)nc2ccccc21 4997703 ULRPEPWOFGDNMO-UHFFFAOYSA-N 336.483 4.299 0 50 EIAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccccc1 6728766 XVUOXWWBHWZNDA-UHFFFAOYSA-N 336.395 4.099 0 50 EIAA COCc1ccc(CN[C@@H]2CCCc3nc(-c4ccccc4)ncc32)o1 12587384 DVFJODWMIYROFB-LJQANCHMSA-N 349.434 4.050 0 50 EIAA Cc1ccc(-c2cc(C(=O)O)n3nc(-c4ccccc4)cc3n2)cc1 13645603 AFVOFRJCPPTKAY-UHFFFAOYSA-N 329.359 4.070 0 50 EIAA CC(C)(C)c1cc(C(F)(F)F)c2c(=O)[nH]c(=S)n(C3CC3)c2n1 20608019 NZIJXWQYOHHHFJ-UHFFFAOYSA-N 343.374 4.105 0 50 EIAA CCc1noc(CN(C(=O)c2oc3ccc(C)cc3c2C)C(C)C)n1 20860570 GNBAWDXELUREBL-UHFFFAOYSA-N 341.411 4.046 0 50 EIAA CCc1cc(OCCOCCN2CCC(C)CC2)ccc1Cl 22171344 ZQYZFFKSBGTBDR-UHFFFAOYSA-N 325.880 4.030 0 50 EIAA Cc1cc(C)c2oc(=O)cc(CN(C)Cc3cccnc3Cl)c2c1 65488030 XZVVNZNPIAASTR-UHFFFAOYSA-N 342.826 4.090 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)c1[nH]c2c(C)cc(C)cc2c1C 91364719 DJNGQUMLTXIYNG-INIZCTEOSA-N 328.456 4.124 0 50 EIAA O=C1CC[C@@]2(CCOC2)CN1Cc1ccc(-c2ccccc2Cl)o1 91725704 NJYWSUILBGRILW-LJQANCHMSA-N 345.826 4.129 0 50 EIAA Cc1ccc(-c2ccc(C(=O)NCCN3CCc4ccccc43)cc2)o1 97775761 SWYIVYBINFRTEV-UHFFFAOYSA-N 346.430 4.048 0 50 EIAA Cc1cc2nnc(S[C@@H](C)OC(=O)OC(C)C)n2c2ccccc12 119815181 XSVXGMZARODOND-LBPRGKRZSA-N 345.424 4.191 0 50 EIAA O=C(c1csc(-c2ccoc2)n1)N1CC[C@H](Cc2ccccc2)C1 126085147 JXAFGLRKXSESNO-OAHLLOKOSA-N 338.432 4.108 0 50 EIAA O=C(Nc1nc(-c2cccc(Br)c2)c[nH]1)c1cccs1 170614496 QKUSZOZTURDZNI-UHFFFAOYSA-N 348.225 4.153 0 50 EIAA O=C(C[C@H]1OCCc2ccccc21)Nc1cncc(Cl)c1Cl 180152940 QSLDEGPTMPOTRH-CQSZACIVSA-N 337.206 4.031 0 50 EIAA CCOc1cccc2cc([C@H](C)NCc3cnc(CC)nc3)oc12 414251170 GXFIHEZVMYRFOK-ZDUSSCGKSA-N 325.412 4.035 0 50 EIAA CCc1noc(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 426972791 HNKBUFYXBXBJFK-UHFFFAOYSA-N 329.787 4.446 0 50 EIAA C[C@H](c1ccc(-c2cc(C(F)(F)F)ccn2)cc1)N1CCOCC1 534655019 UKELZJQIOIAYOA-CYBMUJFWSA-N 336.357 4.161 0 50 EIAA CCOc1cccc(NC(=O)N2CCCC[C@H]2c2cncn2CC)c1 952995013 AGQUZCJEMJQRPF-KRWDZBQOSA-N 342.443 4.061 0 50 EIAA CC1=CC2(CCN(Cc3cnc(-c4cccc(C)c4)nc3)CC2)OCC1 1704297198 NAERNUQDUCWQLX-UHFFFAOYSA-N 349.478 4.153 0 50 EIAA CCOC(=O)c1oc(=N[C@H](C)c2ccc(Cl)c(Cl)c2)[nH]c1C 2325824487 CNPWYQJPVITKDP-MRVPVSSYSA-N 343.210 4.062 0 50 EIAA N[C@@H]1[C@@H]2CCCCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)[C@H]21 2325826731 KSZWLDQHTJGZAS-XUVXKRRUSA-N 342.870 4.444 0 50 EIAA Cc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 74851 MLCYOEAQJRJTDS-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA Cc1ccc(C(=O)COc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 77473 AMFLNVUCOYBFGB-UHFFFAOYSA-N 348.398 4.160 0 50 EIAA biogenic Cc1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 200235 WNSIDZCPIUTLLV-UHFFFAOYSA-N 344.411 4.346 0 50 EIAA O=C(O)c1cc(-c2cccc(O)c2)nc2ccc(Br)cc12 205040 QYJSYSNGXIKVGZ-UHFFFAOYSA-N 344.164 4.068 0 50 EIAA O=C(OCc1cccc(F)c1)c1ccc2c(c1)-c1ccccc1C2=O 1079872 QRNJQRRSWNYGEZ-UHFFFAOYSA-N 332.330 4.394 0 50 EIAA Cc1c(Cl)ccc(OCCOCCN2C[C@@H](C)C[C@@H](C)C2)c1C 2822909 RVHUENQYIPNWJN-GASCZTMLSA-N 339.907 4.330 0 50 EIAA CCOc1cc2c(cc1OCC)[C@H](c1ccccc1F)CC(=O)N2 4488938 QSRDZEHTBMTLKG-ZDUSSCGKSA-N 329.371 4.097 0 50 EIAA Cc1ccc(C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C)cc1 4570412 JEPUGZUKMWWDRO-DYVFJYSZSA-N 327.811 4.017 0 50 EIAA CCCC[C@@H](CC)C(=O)NCCCCNC(=O)[C@H](CC)CCCC 4905233 QRZVUHFUVORLGW-QZTJIDSGSA-N 340.552 4.432 0 50 EIAA Cc1c(C)n(Cc2ccccc2)c2ncnc(Nc3nccs3)c12 5347471 JJSFEHSHYPHDEI-UHFFFAOYSA-N 335.436 4.297 0 50 EIAA CC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 9231054 PWOVODXPGXDJFS-UHFFFAOYSA-N 336.863 4.387 0 50 EIAA Cc1cnccc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1F 11820687 NJJMMFXIDTYPHG-HXUWFJFHSA-N 348.421 4.368 0 50 EIAA CSc1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 12227876 IFROUXZTWMUQPG-NRFANRHFSA-N 341.520 4.226 0 50 EIAA COc1cccc([C@H](C)NC(=O)c2ccc(Br)s2)c1 12383783 WBHGYFYMLHUJJJ-VIFPVBQESA-N 340.242 4.010 0 50 EIAA CCc1c(C)sc2[nH]c(=S)n(Cc3ccc(C)cc3)c(=O)c12 17067870 IFJUUGLGESCROE-UHFFFAOYSA-N 330.478 4.348 0 50 EIAA CC(C)Cn1ncc2c1NC(=O)C[C@H]2c1ccccc1-c1ccco1 65371698 ZOCRBIALTQOARW-INIZCTEOSA-N 335.407 4.273 0 50 EIAA Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ccco2)CCO3)s1 67947815 WVIBRMCPENNYPK-UHFFFAOYSA-N 341.432 4.417 0 50 EIAA Cc1nc(CN[C@H](c2ccccc2)c2nc3ccccc3n2C)oc1C 125975277 GBVQGSZVTMEJSE-HXUWFJFHSA-N 346.434 4.057 0 50 EIAA CC[C@@H]1CCCC[C@@H]1Nc1cccc(C[S@@](=O)C2CCOCC2)c1 170593312 KPYLRJIKRKUVRS-VWQFJMCTSA-N 349.540 4.495 0 50 EIAA Cc1ccc2c(c1)[C@H](NC(=O)N1CCn3cccc3[C@H]1C)CCS2 170622306 VQQZRCRMFBIODJ-GDBMZVCRSA-N 341.480 4.120 0 50 EIAA CC(=O)c1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)ccc1C 194242717 UYJOIEXBHDPWNZ-UGSOOPFHSA-N 325.408 4.404 0 50 EIAA CCC(CC)n1ncc(C(=O)Nc2ccc(CN(C)C)cc2F)c1C 412562599 XCFNEGNCIZEROY-UHFFFAOYSA-N 346.450 4.006 0 50 EIAA CCOC(=O)c1cnn(Cc2ccccc2)c1-c1cc(C)ccc1C 685945779 ZBWDZVPSRMZDBA-UHFFFAOYSA-N 334.419 4.392 0 50 EIAA Cc1ccc(NC(=O)CCNCc2ccc(F)cc2Cl)c(C)c1 952985021 AFNNATHJXDZAAX-UHFFFAOYSA-N 334.822 4.214 0 50 EIAA FC(F)(c1ccccc1)c1nc(COc2ccccc2Cl)no1 1875321322 DIWPGLLEDVUUTR-UHFFFAOYSA-N 336.725 4.442 0 50 EIAA CC(C)c1c[nH]nc1CNC(=O)C12CCC(C(F)(F)F)(CC1)CC2 2325783726 WZQQCDLPTMIKOR-UHFFFAOYSA-N 343.393 4.052 0 50 EIAA CC1=NO[C@@H](CC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C1 2325826763 LZBNSRSVWFIBBH-MRXNPFEDSA-N 347.434 4.088 0 50 EIAA C[C@H](N)C(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 2325867129 LQFPTCPVRQZEQP-LBPRGKRZSA-N 329.469 4.144 0 50 EIAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2ccncn2)CC1 2325895204 BCITWOMEOSMMDZ-SHTZXODSSA-N 341.480 4.077 0 50 EIAA O=C(Nc1ccccc1F)c1ccc(CSc2ncccn2)cc1 620141 XDAKTQYHPQWKEF-UHFFFAOYSA-N 339.395 4.160 0 50 EIAA Cc1cc(OC(=O)c2c(Cl)cc(Cl)cc2Cl)nc(C)n1 1388257 HTENBYCZJPUMAQ-UHFFFAOYSA-N 331.586 4.273 0 50 EIAA CCCOc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C 2869424 MURSIFQQHZZYFB-MRXNPFEDSA-N 347.480 4.132 0 50 EIAA O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccc(F)cc1 4547951 AKMXOGNOVALJCL-UHFFFAOYSA-N 343.423 4.206 0 50 EIAA COc1ccc(CN2CCCC[C@H]2c2cccnc2)c(OC)c1C 4982444 VJGNWMYULLZXJF-SFHVURJKSA-N 326.440 4.134 0 50 EIAA CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(C)=O)c1 6743078 OLRHUULHDJMCSP-QGZVFWFLSA-N 346.814 4.095 0 50 EIAA Cc1ccnc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 6796986 QXXKSLWXZHUHAM-UHFFFAOYSA-N 330.453 4.239 0 50 EIAA CC(C)C[C@H](O)c1ccc2c(c1)CN(Cc1ccccc1F)CCO2 12100308 LKCDGSLARWWGNJ-FQEVSTJZSA-N 343.442 4.300 0 50 EIAA CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)no1 21719111 MEJYAPWQSQWQKM-MRXNPFEDSA-N 332.831 4.358 0 50 EIAA CCc1ncc(-c2cc(C(=O)N(C)C(C)C)c3cccc(C)c3n2)cn1 63884052 NVJUMECQQACPOF-UHFFFAOYSA-N 348.450 4.043 0 50 EIAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cnc(C(C)C)nc2C)C1 82134558 AVUUTDIXDTWKLZ-QGZVFWFLSA-N 337.467 4.237 0 50 EIAA CCc1cc(Cl)ccc1NC(=O)N(C)Cc1noc(C(C)C)n1 97729542 QUOCDYASJXBHBP-UHFFFAOYSA-N 336.823 4.073 0 50 EIAA Cc1ccc(CCCC(=O)Nc2ncn(C3CCCCC3)n2)s1 182667680 FOJFTKQOVJJRQV-UHFFFAOYSA-N 332.473 4.115 0 50 EIAA CCc1n[nH]c(-c2ccccc2NC(=O)c2ccccc2SC)n1 194371803 YDBZPEDPFJAFFD-UHFFFAOYSA-N 338.436 4.008 0 50 EIAA CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1F)C1CC1 230549691 LLJTYSGMTSZALM-UHFFFAOYSA-N 344.224 4.488 0 50 EIAA Cc1cccc(-c2cccc(CNC(=O)CC3C[C@@H]4CC[C@H](C3)N4)c2)c1 237886209 JDPNVLAJLYDBKI-CZAFVFSZSA-N 348.490 4.199 0 50 EIAA Cc1cnc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)o1 278351216 DDUVJPDTFKLLGF-UHFFFAOYSA-N 348.446 4.134 0 50 EIAA CCN(C(=O)c1ccc(-c2cncc3ccccc23)cc1)[C@H](C)CCO 426492811 MQTDGKIANXFYCU-MRXNPFEDSA-N 348.446 4.135 0 50 EIAA CSc1ccc2cc(CN(C)CC[C@H]3CCCCO3)c(O)nc2c1 952981107 KGMJEXNRMSPUSE-MRXNPFEDSA-N 346.496 4.053 0 50 EIAA CCSc1nc(C)c([C@@H](CC)C(=O)N(C)Cc2cccnc2)s1 952994485 VVELEZIVCYEBSR-CQSZACIVSA-N 349.525 4.111 0 50 EIAA Cn1nnc2c(-c3ccc(OC(F)(F)C(F)(F)F)cc3)cccc21 1875319114 ZFDVTSKWDROELD-UHFFFAOYSA-N 343.255 4.169 0 50 EIAA c1ccn2cc(-c3ccc(NCc4cnc(C5CC5)nc4)cc3)nc2c1 1875328652 FJVJSCMVYVIQRL-UHFFFAOYSA-N 341.418 4.281 0 50 EIAA CC[C@@H]1COC(C)(C)CN1CC(=O)c1cc(C)n(CCC(C)C)c1C 1875357320 BJJJRZCQOXXZTD-GOSISDBHSA-N 348.531 4.223 0 50 EIAA CN(Cc1ccc2ccccc2c1)C1=NCCN1Cc1ccccc1 2325863413 IWGJKANCTIJIMU-UHFFFAOYSA-N 329.447 4.143 0 50 EIAA CCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 176184 PDZUAWIKNFAEES-UHFFFAOYSA-N 334.253 4.209 0 50 EIAA COc1cc(Br)cc(-c2nc3ccccc3s2)c1O 366550 UYUXHIZJHFRKEY-UHFFFAOYSA-N 336.210 4.440 0 50 EIAA Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1Cl 452406 XVJXRMKVYGYETC-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1Cl 612817 UBBVTPLKQHGABL-UHFFFAOYSA-N 339.844 4.273 0 50 EIAA Cc1cc(Br)c2nc3c(c(C(=O)O)c2c1)CCCCC3 617006 SMLFVHZWGKWRSD-UHFFFAOYSA-N 334.213 4.273 0 50 EIAA CC(C)(C)c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 4487446 ABAKDAKVPCSOOC-UHFFFAOYSA-N 326.347 4.169 0 50 EIAA O=C(Nc1nccs1)c1ccc(-c2ccc(Br)cc2)o1 4858120 NWLCBDTXERVNJV-UHFFFAOYSA-N 349.209 4.418 0 50 EIAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1ccccn1 55520812 UEYCPDXFWCOGLJ-AWEZNQCLSA-N 341.461 4.244 0 50 EIAA Cc1c(O)cccc1C(=O)N1CCC[C@@H](CCc2ccccc2F)C1 71751935 SPEGPLGOEQVDPJ-INIZCTEOSA-N 341.426 4.325 0 50 EIAA CC(C)(O)CCc1ccc(CN2CCC[C@@H]2c2nccs2)cc1 72407036 WLPJACFPANILSQ-QGZVFWFLSA-N 330.497 4.184 0 50 EIAA CN(C(=O)c1ccc(-n2ccnc2)cc1)[C@@H]1CCCc2ccccc21 77377674 YMHCFTKLELNPDD-HXUWFJFHSA-N 331.419 4.022 0 50 EIAA O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1c1ccc(F)cc1 77386276 DBDPUJAGMPBPDA-OAHLLOKOSA-N 335.325 4.404 0 50 EIAA Cc1nc2ccc(N(C)C(=O)c3cc4c(s3)CCOC4)cc2s1 175475065 WBHWHAQLOHVPES-UHFFFAOYSA-N 344.461 4.016 0 50 EIAA CCC[C@H]1CCCCN1C(=O)Nc1ccc(N2CCCC2)nc1C 183279097 MYLOVLZNYSVLSV-INIZCTEOSA-N 330.476 4.177 0 50 EIAA Cc1c(NC(=O)Nc2cccc(OCCF)c2)cnn1C1CCCC1 193663759 FOQJTKNADLYKQN-UHFFFAOYSA-N 346.406 4.299 0 50 EIAA CCC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]21 239331303 KLOBYBBPFARQIW-DTDBQYNISA-N 341.838 4.296 0 50 EIAA CSc1cc(C)ccc1CNC(=O)c1ncsc1C(F)(F)F 280547727 ZUYNHFVUXSEFME-UHFFFAOYSA-N 346.399 4.122 0 50 EIAA Cc1ccc(-c2noc(C[C@@H]3CCCOC3)n2)c(OC2CCCC2)c1 809427953 NFNJLNRMBOQEOY-HNNXBMFYSA-N 342.439 4.336 0 50 EIAA C[C@H](CN[C@H](C)c1cc(O)ccc1F)c1nc(-c2ccccc2)no1 872051607 LXYPJKLBHALTJJ-CHWSQXEVSA-N 341.386 4.036 0 50 EIAA Cc1oc(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)nc1C1CC1 892524449 LITHTQSRHZCKDY-UHFFFAOYSA-N 346.255 4.410 0 50 EIAA CCn1nc(C(=O)Nc2ncccc2-c2ccccc2)cc1C1CC1 904156305 WKYZTNYTURLADT-UHFFFAOYSA-N 332.407 4.095 0 50 EIAA CO[C@@H](C)c1nnc(NC(=O)C2(c3ccccc3)CCCCC2)s1 1506423298 HDCNVEKRLCZGHM-ZDUSSCGKSA-N 345.468 4.086 0 50 EIAA CC[C@@H](NC1CCN(c2ccc(F)cc2C)CC1)c1ccncc1 1506431450 KRYAFVAKJMRYLJ-LJQANCHMSA-N 327.447 4.239 0 50 EIAA O=C(c1ccnc(NCCCSC2CCCCC2)c1)N1CCCC1 1704353733 KPVBTWAAHXGWMB-UHFFFAOYSA-N 347.528 4.186 0 50 EIAA O=C(Nc1cccc2ccncc12)[C@@H]1CCOc2ccc(Cl)cc21 1875259990 NZHBDTCSIGTCIZ-CQSZACIVSA-N 338.794 4.393 0 50 EIAA CCCC[C@H](CCC)NC(=O)c1cc2c(nc1O)CC(C)(C)CC2 1875356378 JJQLSKIVXQQPRT-HNNXBMFYSA-N 332.488 4.391 0 50 EIAA CC(C)Cc1ccc([C@H](C)NC(=O)C2(CN)C[C@H]3CCC[C@@H]3C2)cc1 2325827768 PZGUFLNMZYJBFX-PWIZWCRZSA-N 342.527 4.218 0 50 EIAA C[C@H]1CN=C(NCc2ccc3ccccc3c2)N1Cc1ccccc1 2325863926 AHOLOSKRZGDFHK-KRWDZBQOSA-N 329.447 4.190 0 50 EIAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nnc(C(C)C)s1 148445 XTZMVPYHODHPIW-SNVBAGLBSA-N 339.848 4.029 0 50 EIAA CCN(Cc1ccccc1)C1CCN(Cc2cccc(OC)c2)CC1 317640 PDRGLESYZMBCSX-UHFFFAOYSA-N 338.495 4.182 0 50 EIAA COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc(C)c1C 375257 YXAOLWNQHPNMJK-RMKNXTFCSA-N 349.839 4.457 0 50 EIAA O=C(NC(=S)Nc1ccccc1F)c1ccc(Cl)cc1Cl 450634 JVPYBRBTQYJSFW-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA COc1ccccc1/C=C/C(=O)NCc1ccc(Cl)cc1Cl 473094 LRWZMDQNMOVZGQ-VQHVLOKHSA-N 336.218 4.332 0 50 EIAA Cc1cccc(C[C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c1 4828907 TUOLGQSIXKUAJF-AWEZNQCLSA-N 347.336 4.136 0 50 EIAA O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 4831552 AMVWDBWXZAUHFB-CQSZACIVSA-N 344.625 4.192 0 50 EIAA Fc1ccccc1/C=C/c1nn2c(Cc3ccccc3)nnc2s1 4856984 ZVPPOKSBPOGPOI-ZHACJKMWSA-N 336.395 4.086 0 50 EIAA Cc1nn2c(-n3ccnc3)cc(C(C)(C)C)nc2c1-c1ccccc1 5206724 JTZBFAQRSOPYPU-UHFFFAOYSA-N 331.423 4.188 0 50 EIAA COc1ccc(C2(CNC(=S)Nc3ccccc3)CCCC2)cc1 5586786 TWXYTSXHKDZKJC-UHFFFAOYSA-N 340.492 4.494 0 50 EIAA CCCCc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1 11692783 HPZBMAVBRGQYCZ-UHFFFAOYSA-N 334.423 4.171 0 50 EIAA Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc[nH]1 12305763 TVQPCUOFOFCYBD-QFIPXVFZSA-N 342.446 4.347 0 50 EIAA Cc1cc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)no1 18057910 HZWGUUGBNTWNRZ-XBLGPDGASA-N 336.435 4.460 0 50 EIAA Cc1cnc(N(C)Cc2cc3ccccc3s2)nc1-c1ccnn1C 19792299 IONBDSIQYPARBE-UHFFFAOYSA-N 349.463 4.037 0 50 EIAA COc1ccc(/C=C2/SC(=O)N(c3cccc(C)c3)C2=O)cc1 33319507 MCLDGTKCQQMPBX-LFIBNONCSA-N 325.389 4.245 0 50 EIAA COc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1Cl 39212395 RPNSUIRLAUJMRP-UHFFFAOYSA-N 341.190 4.208 0 50 EIAA CCCN(Cc1ccc(OC)cc1)C(=O)c1sc(C)nc1CC 55041974 NTDRZMCVUDVKDP-UHFFFAOYSA-N 332.469 4.075 0 50 EIAA CN(Cc1csc(-c2cccs2)n1)C(=O)Cc1cccs1 72420175 VMHBACYDTOTSTN-UHFFFAOYSA-N 334.491 4.134 0 50 EIAA CCCc1cc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)no1 77408200 FMQURGQJIRKJPI-HXUWFJFHSA-N 349.434 4.158 0 50 EIAA Cc1nc(CCn2ccnc2-c2cccc3c2oc2ccccc23)no1 77437001 PJZWFEJUBKULES-UHFFFAOYSA-N 344.374 4.384 0 50 EIAA Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](c3ccccn3)C3CC3)c2c1 77470069 ZRJLCDQKVXFJST-NRFANRHFSA-N 345.446 4.470 0 50 EIAA COc1ccc2c(c1)C(c1ccc(F)cc1)=C(CN1CCCC1)CO2 114813851 VMMKGVRPILDZML-UHFFFAOYSA-N 339.410 4.124 0 50 EIAA in-vitro Fc1cccc(F)c1Oc1ccc(I)cc1 149762719 CKZOAYQFIUHRPK-UHFFFAOYSA-N 332.087 4.362 0 50 EIAA Cc1cccc(Cl)c1NC(=O)CSc1nncc2ccccc12 157548842 OEPCSJUYHABNQE-UHFFFAOYSA-N 343.839 4.322 0 50 EIAA Cc1cc(Br)cc(N[C@H](c2cccnc2)c2ncc[nH]2)c1 195122455 WDVJDCSZFCJHOW-OAHLLOKOSA-N 343.228 4.077 0 50 EIAA CCCN(Cc1cccc(Cl)c1)C(=O)NCCc1ncccc1C 426739129 XEGQRZJQCOFKQX-UHFFFAOYSA-N 345.874 4.208 0 50 EIAA CO[C@@H](C)c1nc(CNc2ccc3cc(Cl)cnc3n2)cs1 892866532 UMIJIZXGFRXWFY-VIFPVBQESA-N 334.832 4.059 0 50 EIAA C[C@H](NCc1cccc(N2CCCC2=O)c1)c1coc2ccccc12 924664346 KSCVLZQJBZOACJ-HNNXBMFYSA-N 334.419 4.410 0 50 EIAA CN(Cc1ccc2nsnc2c1)Cc1ccc([C@@H]2CCCCO2)o1 952988802 SIIGRBSOSVVXRQ-KRWDZBQOSA-N 343.452 4.158 0 50 EIAA Oc1ccc(Cl)c(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 1170520697 ZHPTYTSCVZKLLG-QGZVFWFLSA-N 338.234 4.273 0 50 EIAA CN(Cc1ccc(-n2cccn2)cc1)Cc1cncn1C1CCCCC1 1529178824 PXTOURYEGPFWHK-UHFFFAOYSA-N 349.482 4.206 0 50 EIAA CC(C)c1cncc(C(=O)O[C@@H](C)CCc2ccc3c(c2)OCO3)c1 2325855266 PITDVOBMRYZMCB-AWEZNQCLSA-N 341.407 4.112 0 50 EIAA CCc1ccc(CNn2cnnc2SCc2ccccc2F)cc1 386365 IZVOGABOUGJCLJ-UHFFFAOYSA-N 342.443 4.016 0 50 EIAA O=C(OCc1ccccc1)c1cccc(C(=O)OCc2ccccc2)c1 453763 OIVQLSUKOZNNCT-UHFFFAOYSA-N 346.382 4.401 0 50 EIAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 470344 SJVVFVXQIDHEHH-GFCCVEGCSA-N 330.815 4.121 0 50 EIAA COC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccccc1 2763688 RESFAHQTNINFGZ-UHFFFAOYSA-N 327.361 4.047 0 50 EIAA COc1ccc(C)cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 2888504 YGTICRVPMWKKIE-UHFFFAOYSA-N 333.453 4.038 0 50 EIAA FC(F)(F)c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 4487464 IMYJFRMYHJYUIG-UHFFFAOYSA-N 339.129 4.178 0 50 EIAA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(F)c1 4841144 OLDHRDNYKBABSL-UHFFFAOYSA-N 333.322 4.281 0 50 EIAA CCOc1cc(C)c(S(=O)(=O)Nc2cc(C)ccn2)cc1C(C)C 6706795 HPWSOABFECFCKZ-UHFFFAOYSA-N 348.468 4.021 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cc(C)ccc1C 7759977 KBMMBEDGSJMUEX-UHFFFAOYSA-N 349.434 4.324 0 50 EIAA CCN(CCCSC)CC1CCN(CCc2ccccc2C)CC1 11879638 BVSPOJOXIOOBAF-UHFFFAOYSA-N 348.600 4.325 0 50 EIAA Oc1ccccc1Nc1nc(-c2ccccc2O)nc2ccccc12 17748508 UHLXCPWNMJJHHB-UHFFFAOYSA-N 329.359 4.452 0 50 EIAA Clc1ccc(-c2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1 20718104 FHHBLRXPTQHTAX-UHFFFAOYSA-N 339.782 4.138 0 50 EIAA CC(C)c1cncnc1-c1cc(O)cc(CC[C@H]2CCCCN2)c1 71638923 QYNJZMBTMCKEEM-QGZVFWFLSA-N 325.456 4.047 0 50 EIAA O=C(c1ccccc1-n1cccn1)N1CCCC[C@H]1c1ccc(F)cc1 77516895 DWVWWERJKOWCSI-IBGZPJMESA-N 349.409 4.379 0 50 EIAA O=c1[nH]c(/C=C/c2ccc(-c3ccccc3)s2)nc2cnccc12 151496882 CFIQVXOPQUVSOF-VQHVLOKHSA-N 331.400 4.217 0 50 EIAA Cc1[nH]c2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2c1C 152952057 TYTAVJHVWNRREG-WIYYLYMNSA-N 348.446 4.435 0 50 EIAA FC1(F)CCN(c2cccc(Br)c2C(F)(F)F)C1 169725659 ZWIXVCREPJFPRV-UHFFFAOYSA-N 330.094 4.313 0 50 EIAA CN(Cc1ccc(F)c(F)c1)C(=O)c1scnc1C1CCCC1 183937392 GUHCZKTXYRDNQJ-UHFFFAOYSA-N 336.407 4.351 0 50 EIAA CCO[C@@H](CNCc1c(C2CC2)nc2sccn12)c1ccccc1 194469524 ZYPWRERIOGSRLA-KRWDZBQOSA-N 341.480 4.141 0 50 EIAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c(C)c1 239287490 CWSOSCYIFYAMMI-QOLKULSZSA-N 345.442 4.233 0 50 EIAA CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC(=O)[C@@H]1C[C@H]1C 239760937 CINXRRCYEJIDJE-YUELXQCFSA-N 333.428 4.224 0 50 EIAA C[C@H](C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c1cccs1 246348356 OXSWYCIYQMNIHA-MELADBBJSA-N 335.494 4.028 0 50 EIAA Cc1cc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)sc1C 272300782 XGPOZQFQJQJPCD-ZDUSSCGKSA-N 329.343 4.213 0 50 EIAA Cc1ccc2cc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)[nH]c2c1 668104700 MBAKIMCCSCVCSR-GOSISDBHSA-N 348.494 4.389 0 50 EIAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 822376128 SAFSZMKDBPXELQ-LLVKDONJSA-N 346.789 4.247 0 50 EIAA C[C@H](c1ccccc1)[C@@H](O)CN1CC=C(c2c[nH]c3ccccc23)CC1 1460829388 FCXGQEUOSBUZGM-HXOBKFHXSA-N 346.474 4.422 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccc(OC4CCCC4)cc3)C[C@@H]21 1704305479 QWEUDLBRHAXWPB-BVYCBKJFSA-N 343.511 4.381 0 50 EIAA CC(C)n1cc(-n2ccnc2-c2ccc([C@H]3CCCCO3)o2)cn1 1857691157 XCTBDUKEQXPDBE-OAHLLOKOSA-N 326.400 4.151 0 50 EIAA CC(C)n1ncc2cc(N=c3[nH]ccn4nc(C5CCC5)cc34)ccc21 1875329139 HDSBKOGKGPDVLV-UHFFFAOYSA-N 346.438 4.093 0 50 EIAA CC[C@H](C)Oc1cccc(CNC(=O)c2ccc(O)nc2C(C)C)c1 2100554897 GVUNUGTVSWNUPM-AWEZNQCLSA-N 342.439 4.018 0 50 EIAA CC[C@@H](CC(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1)C1CCC1 2325879814 IVEAETZFPGQZEE-ZBFHGGJFSA-N 331.456 4.193 0 50 EIAA CCOC(=O)c1cccc(Nc2cc(C)nc3c(OC)cccc23)c1 107263 SJMJYFRLHWTQBR-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA CCCc1cc(=O)oc2cc(OCc3ccc(C(=O)O)cc3)ccc12 134437 PSVAWTCLEAVBHQ-UHFFFAOYSA-N 338.359 4.023 0 50 EIAA biogenic COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(F)cc3)nc1-2 249542 WQEXCVZZWVOBSJ-UHFFFAOYSA-N 340.379 4.114 0 50 EIAA Cc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl 342112 YXRLCXOMJWSAHM-UHFFFAOYSA-N 339.247 4.429 0 50 EIAA Cc1ccc(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c(C)c1 364564 IKHCFXRGEBATMF-ZDUSSCGKSA-N 337.678 4.184 0 50 EIAA CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccc(Br)cc1 371995 DCGQUHABKZDLEP-RYUDHWBXSA-N 348.306 4.037 0 50 EIAA Fc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 407843 IXNPJPYVTDJMHQ-CVEARBPZSA-N 328.778 4.217 0 50 EIAA CCCN(CCC)S(=O)(=O)c1ccc2cc(OCC)ccc2c1 453665 WLSIRDWGYPZHEF-UHFFFAOYSA-N 335.469 4.049 0 50 EIAA CC(=O)Nc1cccc(-c2csc(N(C)c3ccc(O)cc3)n2)c1 613694 FICFIYPANUYCMT-UHFFFAOYSA-N 339.420 4.242 0 50 EIAA CCC(CC)C(=O)Nc1cc(NC(=O)C(CC)CC)cc(C(=O)O)c1 618712 IZKCLCHVCWOZTF-UHFFFAOYSA-N 348.443 4.134 0 50 EIAA CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 2738817 HHNASYHRVVAVNK-NSHDSACASA-N 347.436 4.285 0 50 EIAA COc1ccccc1-c1nc(-c2cccc(Br)c2)no1 4782985 VCZGRQURDVFMNG-UHFFFAOYSA-N 331.169 4.175 0 50 EIAA Cc1ccc(NC(=S)Nc2ccc3c(C)cc(=O)oc3c2)cc1F 7353732 KYZMQTLXBPGRLD-UHFFFAOYSA-N 342.395 4.358 0 50 EIAA Cc1[nH]c2ccc(CNC3CCN(Cc4ccco4)CC3)cc2c1C 11878545 UTQGOJZSPCMZIF-UHFFFAOYSA-N 337.467 4.132 0 50 EIAA COc1ccc(CN2CCC[C@@H](c3[nH]ncc3CC(C)C)C2)cc1C 12246342 LEMKJYBDROFACD-GOSISDBHSA-N 341.499 4.305 0 50 EIAA C[C@H]1C[C@@H](C)CN(c2nc(-c3ccccc3O)nc3ccccc23)C1 13647919 UPIRTMMOQRPBKD-GASCZTMLSA-N 333.435 4.485 0 50 EIAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(O)c(Cl)c1)NCC2 19848413 KUYQOVPHRFCDKM-IBGZPJMESA-N 347.842 4.078 0 50 EIAA CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 33883228 UVQVBDRHJUMBET-UHFFFAOYSA-N 335.278 4.330 0 50 EIAA in-vitro CC(C)n1cc(CN(Cc2ccccc2)Cc2nccs2)cn1 55182981 XUTHXKUEDJPJOL-UHFFFAOYSA-N 326.469 4.123 0 50 EIAA c1ccc(-c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)cc1 109580671 QIHUVIBOHTXTGJ-UHFFFAOYSA-N 339.358 4.138 0 50 EIAA CCCCc1ccc(CC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1 120276029 RHLAPKZVZSYVRR-SFHVURJKSA-N 325.456 4.049 0 50 EIAA Cc1c(C(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c2ccccc12 146398733 JLHIDMIQWGLHAQ-UHFFFAOYSA-N 346.308 4.108 0 50 EIAA FC1(F)CCN(c2c(Br)cccc2C(F)(F)F)C1 169725667 BHGQMKZUFCMDSM-UHFFFAOYSA-N 330.094 4.313 0 50 EIAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H](c2ccccc2)C1 215235836 GZGWDRKDXNVEPL-IBGZPJMESA-N 347.462 4.141 0 50 EIAA COCCc1nsc(N2c3ccccc3[C@]3(C)CCCC[C@H]23)n1 253418171 LRISIVICHPAXJA-YJBOKZPZSA-N 329.469 4.079 0 50 EIAA C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)C[C@H]1CCOC1 366519946 ZLFUJKXXHATKGQ-PNCHPQGNSA-N 349.474 4.018 0 50 EIAA Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N=c1cc[nH]cc1 430399201 ZRVGETXGBJUEJP-UHFFFAOYSA-N 348.189 4.026 0 50 EIAA CCC[C@@H](C)C(=O)Nc1nc2ccccc2n1CCc1ccccn1 480353411 KZMSLCKWPQPPTH-OAHLLOKOSA-N 336.439 4.049 0 50 EIAA Cc1ccc(NC2(C(=O)N3CCC(F)(F)CC3)CCCCC2)cc1 1506400509 VRNHHJYYAJXLPN-UHFFFAOYSA-N 336.426 4.368 0 50 EIAA FC(F)(F)c1cccc(CCN[C@@H]2CCN(c3ccccc3)C2)c1 1506421315 GSKDRVQVXULNBR-QGZVFWFLSA-N 334.385 4.116 0 50 EIAA Cc1ccc2c(c1)[C@H]1C[C@@](C(C)C)(O2)N(Cc2cccs2)C(=O)N1 1776003803 HMUMHTFOXNJBOG-APWZRJJASA-N 342.464 4.458 0 50 EIAA Cc1cc(C)c2c(c1)NC(=O)/C2=C/c1ccc(-n2ccnc2)c(F)c1 1875264898 BQHVOACSORQYAQ-OQLLNIDSSA-N 333.366 4.121 0 50 EIAA C[C@@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc2n(n1)CCC2 1875328933 SUXXTYAQXJGWTH-OAHLLOKOSA-N 343.434 4.317 0 50 EIAA C[C@@H](C(=O)NCC1CCCCC1)N1Cc2cccc3c2[C@@H](CCC3)C1 2325828035 XCOIWMXZAQPSCS-JXFKEZNVSA-N 340.511 4.007 0 50 EIAA CC(C)(c1ccccc1)c1ccc(OCC(=O)NC2CCCC2)cc1 141234 CQXWQELSLNCUNV-UHFFFAOYSA-N 337.463 4.450 0 50 EIAA CC(C)=CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 149008 FRSXVRJLPVMOCN-UHFFFAOYSA-N 329.783 4.464 0 50 EIAA O=C(Nc1ccc2c(c1)OCO2)C1c2ccccc2Oc2ccccc21 204945 RKKQJMHHZIWCOL-UHFFFAOYSA-N 345.354 4.292 0 50 EIAA CC(=O)Oc1cc2oc(C)c(Oc3ccc(F)cc3)c(=O)c2cc1C 407241 URFSNCOEJNODQF-UHFFFAOYSA-N 342.322 4.267 0 50 EIAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 452162 QNOJCRJFQUCFTF-LBPRGKRZSA-N 330.428 4.466 0 50 EIAA COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccco1 1054778 UBHSJTHEWMBPJJ-UHFFFAOYSA-N 341.388 4.355 0 50 EIAA CC[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccccc1 1055379 KJGZOPVDFGKVBO-INIZCTEOSA-N 341.794 4.328 0 50 EIAA O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ccccc1)c1ccccc1 2875695 SBJFBNCYLLCAJF-QZTJIDSGSA-N 347.505 4.068 0 50 EIAA C[C@H]1C[C@H](C)CN(CCOc2ccc(Cl)cc2Br)C1 4914388 PGSAWZZSNKSORV-RYUDHWBXSA-N 346.696 4.459 0 50 EIAA O=C(NCc1ccco1)c1ccc(-c2ccc(Br)cc2)o1 6701134 UGJFFFPZJQVSKZ-UHFFFAOYSA-N 346.180 4.232 0 50 EIAA COc1ccccc1-c1cnn2c(NC3CCCCC3)cc(C)nc12 10383703 NDIKFAVHJHLWLL-UHFFFAOYSA-N 336.439 4.458 0 50 EIAA COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC2)cc1 10428782 NDUCMOBKHWYRLS-UHFFFAOYSA-N 330.815 4.201 0 50 EIAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(C)C)C3)C2=O)cc1 12473365 BMKYSFLJHPPTHH-NRFANRHFSA-N 328.500 4.033 0 50 EIAA Cc1cnc(NC(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)s1 13327272 NSNNSZWCDRQHSE-QMMMGPOBSA-N 331.224 4.164 0 50 EIAA O=C(CC1=CCCCC1)N1CCC[C@](CO)(CCc2ccccc2)C1 15064735 RXFDIXMITAOZKD-QFIPXVFZSA-N 341.495 4.111 0 50 EIAA COc1cc(OC)c2c(C)cc(N3CCc4ccccc4C3)nc2c1 16667550 OTKGOXYIHHNWCR-UHFFFAOYSA-N 334.419 4.123 0 50 EIAA O=C(Nc1ccccc1)N1CCN(Cc2cccc3ccccc23)CC1 20523299 OIWBLWBJLPWRFO-UHFFFAOYSA-N 345.446 4.190 0 50 EIAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c(C)c1 27916836 SNZAZZQEZGVJCM-UHFFFAOYSA-N 336.435 4.182 0 50 EIAA Cc1ccc2occ(CN(Cc3ccccn3)CC(C)C)c(=O)c2c1 55361123 FGPZCAWEYJXHEA-UHFFFAOYSA-N 336.435 4.155 0 50 EIAA CC(C)C[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2cccnc2)O1 65528846 UNOYPCHRRPDCSY-AABGKKOBSA-N 338.451 4.146 0 50 EIAA COCC(C)(C)CNC(=O)Nc1cccc(-c2ccc(F)cc2)c1 96131152 SABDEYUJMGMOHD-UHFFFAOYSA-N 330.403 4.287 0 50 EIAA Cc1ccc(CC(=O)OCc2sc(C)nc2C(F)(F)F)s1 170595204 DSKGTHDOSVTGJQ-UHFFFAOYSA-N 335.372 4.126 0 50 EIAA COc1cccc(CN[C@@H](c2cccc(Cl)c2)c2ccccn2)n1 179069205 BODKPIWOHUJAAJ-IBGZPJMESA-N 339.826 4.018 0 50 EIAA CC(C)(C)c1cnc(CCC(=O)N(c2ccccn2)C2CCCC2)o1 187570670 YWFKRQABGLEEAQ-UHFFFAOYSA-N 341.455 4.276 0 50 EIAA O=C([C@H]1OCCc2ccccc21)N1CCC[C@H](c2ccccc2)CC1 441813148 LQWINRFUJOMNHC-RXVVDRJESA-N 335.447 4.097 0 50 EIAA O=C(c1cccnc1-c1cccc(C(F)(F)F)c1)N1C[C@@H]2CC[C@H]1C2 1565513452 BZBYAUJLHPQITC-DOMZBBRYSA-N 346.352 4.392 0 50 EIAA CO[C@@H]1C(C)(C)CN(c2cc(Cl)nc(-c3ccoc3)n2)C1(C)C 1875407484 ATFJKCCTQQLYRL-OAHLLOKOSA-N 335.835 4.030 0 50 EIAA O=C(Nc1ccc(CN2CCCCC2)nc1)c1cc2occc2s1 2325749572 YEJRXCRDRDPGMJ-UHFFFAOYSA-N 341.436 4.128 0 50 EIAA Cc1cc(CC2(c3nc(-c4ccn5cncc5c4)no3)CC2)ccc1F 2325854418 CXGLLIVNBMDOGV-UHFFFAOYSA-N 348.381 4.106 0 50 EIAA O=C1O[C@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)O)c2ccccc21 153460 BDWDJDAQUSMMIO-UONOGXRCSA-N 337.158 4.073 0 50 EIAA CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 183826 ADQGATFGOPYCNQ-UHFFFAOYSA-N 338.190 4.422 0 50 EIAA COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 197486 JGZDOJJVNAOSHB-SDNWHVSQSA-N 337.419 4.423 0 50 EIAA biogenic O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)c(Cl)c1 272704 QOMCCHPERNDQEI-UHFFFAOYSA-N 335.791 4.086 0 50 EIAA O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)C1CCCCC1 367706 MUOFMCKBXCUBAB-UHFFFAOYSA-N 348.402 4.374 0 50 EIAA COc1cc(C=O)cc(Br)c1OCc1ccc(C)cc1 453617 CQDHMSQODPWJCK-UHFFFAOYSA-N 335.197 4.158 0 50 EIAA COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 466183 UQTHMWNVVGTRPJ-LBPRGKRZSA-N 349.814 4.072 0 50 EIAA CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccccc2)C1 2558498 FGLIWMCLJNZMBF-AWEZNQCLSA-N 342.508 4.411 0 50 EIAA O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccccc1 2865102 REIODYWKYUKWKT-UHFFFAOYSA-N 338.234 4.469 0 50 EIAA C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccncc1 5636391 ARRLGLCWYFHJIH-WDEREUQCSA-N 339.222 4.033 0 50 EIAA Cc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCC2)c1 15636758 ALWDDXHHXFASMK-UHFFFAOYSA-N 347.466 4.469 0 50 EIAA CCC[C@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccccc1 19789570 ZVJBALIZZIYNMS-SFHVURJKSA-N 326.440 4.147 0 50 EIAA Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(NCc2ccco2)n1 48308300 CLZVLYVOEWBMPW-UHFFFAOYSA-N 345.406 4.151 0 50 EIAA O=C(c1ccccc1)N1CCC[C@H](CCc2c(F)cccc2F)C1 71745347 TYAOSTKEBKMCKQ-OAHLLOKOSA-N 329.390 4.450 0 50 EIAA COc1ccc(C(=O)c2cn(CCC[C@H](C)O)c3ccccc23)cc1 71746270 OAAZEFGKZWEFTG-HNNXBMFYSA-N 337.419 4.042 0 50 EIAA in-vitro Cc1cc(I)cc(Cl)c1Br 71792236 KILGDVLQIAFCMP-UHFFFAOYSA-N 331.378 4.016 0 50 EIAA O=C(c1ccccc1OC(F)F)N1CC[C@@H](c2ccc(F)cc2)C1 77377986 WVJUFNPFJXVKLL-CYBMUJFWSA-N 335.325 4.057 0 50 EIAA Cc1cc(C(F)(F)F)n(C[C@H](C)Cn2ccnc2-c2ccco2)n1 77505572 ABBBDRDARDJWDC-LLVKDONJSA-N 338.333 4.003 0 50 EIAA Cc1cc(C)c(NC(=O)NCCCSCc2ccco2)c(C)n1 95497801 WAZBFGLNBXLJFG-UHFFFAOYSA-N 333.457 4.045 0 50 EIAA Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1c(C)noc1C1CC1)CCC2 129153001 ZNVOIAVELCDFIL-CYBMUJFWSA-N 346.456 4.167 0 50 EIAA COc1cccc(SCC(=O)N2CC[C@@H](C)c3cccc(O)c32)c1 170597411 MNUJWDJGBUSFEO-CYBMUJFWSA-N 343.448 4.033 0 50 EIAA CCc1cccc2c(CC(=O)Nc3cnn([C@@H](C)C4CC4)c3)c[nH]c12 186460159 DXLCYBJWCPTHQR-ZDUSSCGKSA-N 336.439 4.079 0 50 EIAA C[C@H](Oc1ccc(C(=O)NCc2cccnc2)cc1)c1ccccc1 252484536 FYVYMIBVRVJKAM-INIZCTEOSA-N 332.403 4.152 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(-c2ccc(F)cc2)o1 263498814 KHHRUFCKGUPURP-QGTPRVQTSA-N 343.398 4.303 0 50 EIAA COc1ccc(Cl)cc1-c1cccc(C(=O)NCC[C@@H](C)OC)c1 299784201 GCRJVJMHFIUQHL-CYBMUJFWSA-N 347.842 4.170 0 50 EIAA O=C(c1ccc2scnc2c1)N(Cc1ccccn1)Cc1ccco1 426594766 BWLGICGVMUMUCI-UHFFFAOYSA-N 349.415 4.127 0 50 EIAA CCc1nccc(C)c1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 934467158 PHACPOFTBKAOCV-OAHLLOKOSA-N 349.438 4.021 0 50 EIAA CCc1nc(C)c([C@H](C)N(C)Cc2c(Cl)ncn2CC)s1 952964412 QWGKSNWBEDGULQ-NSHDSACASA-N 326.897 4.077 0 50 EIAA Cc1ncsc1CN(Cc1ccccc1)C(=O)Cc1cccs1 952966881 KMBFJPCETDKHTG-UHFFFAOYSA-N 342.489 4.285 0 50 EIAA COC[C@H](C)N(Cc1ccccc1C)Cc1c(F)ccc(OC)c1F 952991120 ZKLNDJMSEGAMBM-HNNXBMFYSA-N 349.421 4.319 0 50 EIAA O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@]2(CCC[C@H]2O)C1 1704302481 MOPBGQZARSVZBM-IFMALSPDSA-N 335.447 4.121 0 50 EIAA O=C(O)CC1(c2cccc(Br)c2)CCC(F)(F)CC1 1772718303 WCYKOJGBDCVNFZ-UHFFFAOYSA-N 333.172 4.371 0 50 EIAA Cc1ccc(Cl)c(OCCN2CCC(c3ccnc(O)c3)CC2)c1 1772808412 PJXXZSJNEQWGMN-UHFFFAOYSA-N 346.858 4.007 0 50 EIAA CN1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(-c3cnc4ccccc4n3)c1)C2 1775981534 FZAVJBPKFBJLKM-IZZQQSIFSA-N 345.446 4.301 0 50 EIAA Cc1ccsc1-c1nnc(SCc2ncoc2C(F)(F)F)o1 1775996743 GTSUZEQZOQYSLX-UHFFFAOYSA-N 347.343 4.406 0 50 EIAA O=C(COc1ccc(F)c(Cl)c1)O[C@H]1CCC[C@H]1c1cccnc1 2325743013 PZTYMVWQEHPORV-YOEHRIQHSA-N 349.789 4.132 0 50 EIAA O=C1NCc2c(NCc3cccc4nc(C(F)F)sc34)cccc21 2325898954 GNISCUAQEOQEDS-UHFFFAOYSA-N 345.374 4.089 0 50 EIAA CCSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C 67057 HOSSBCTWAAAISS-UHFFFAOYSA-N 339.464 4.404 0 50 EIAA C[C@@H]1CCc2c(sc3ncnc(Nc4ccc5c(c4)OCO5)c23)C1 90125 VIIBPIKBKUPPIT-SNVBAGLBSA-N 339.420 4.288 0 50 EIAA CCc1ccc(Nc2ncnc3c2cnn3Cc2ccc(C)cc2)cc1 352620 HJOMKKWSQGXGQX-UHFFFAOYSA-N 343.434 4.489 0 50 EIAA CCCc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 383837 VEBPVOBCUPTFLJ-UHFFFAOYSA-N 343.224 4.101 0 50 EIAA COc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 460478 COCNHJKIJDCRQA-FMIVXFBMSA-N 335.447 4.190 0 50 EIAA COc1cccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c1 2443114 PRTUMWDQMFVJAI-UHFFFAOYSA-N 336.387 4.178 0 50 EIAA biogenic O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccccc1 2876110 ZFWSDMFEIXVZKP-UHFFFAOYSA-N 333.416 4.447 0 50 EIAA O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(Cl)c1Cl 4588832 HFZVUTLYPKZAFB-JYRVWZFOSA-N 336.149 4.477 0 50 EIAA COc1ccc(CCN(C)C/C(C)=C/c2ccccc2)cc1OC 6667573 CIAOFGVOCKPCFU-SAPNQHFASA-N 325.452 4.282 0 50 EIAA Cc1cccc(-c2noc(CNC(=O)Nc3ccc(Cl)cc3)n2)c1 6697654 GXFGAZLPNLARBN-UHFFFAOYSA-N 342.786 4.020 0 50 EIAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccncc2)C1 11938390 CSOMEFJHBLTJGH-INIZCTEOSA-N 328.843 4.138 0 50 EIAA CCCc1c(C(=O)Nc2cccc(C)c2C)nnn1-c1ccccc1 12274651 CKLDVAVPVHFHQH-UHFFFAOYSA-N 334.423 4.089 0 50 EIAA COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1Cl)NCC2 22018362 IICMWMFSPXWSSV-KRWDZBQOSA-N 338.234 4.246 0 50 EIAA CC[C@@H]1CN(Cc2ccc(O)c(OC)c2)Cc2ccc(Cl)cc2O1 55042122 QMXSNCOOCHUGBB-MRXNPFEDSA-N 347.842 4.227 0 50 EIAA CCn1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)noc2C)cn1 65461968 RYDWTHLWQOVKKB-UHFFFAOYSA-N 347.422 4.087 0 50 EIAA CC(C)(C)C[C@H](NC(=O)NC1CCOCC1)c1ccc(Cl)cc1 175571660 FVVOARBICFQUSV-INIZCTEOSA-N 338.879 4.296 0 50 EIAA C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 252457362 BVZJNRTVFVITJB-ZLKJLUDKSA-N 349.780 4.345 0 50 EIAA Cc1cc(CN[C@H](CC(C)(C)C)c2ccccc2)nc(N(C)C)n1 252487634 HYQCBUGEABYKMF-GOSISDBHSA-N 326.488 4.118 0 50 EIAA Cc1nc([C@H](C)NC(=O)Cc2ccccc2C(F)(F)F)c(C)s1 299786518 LGZAXCGYBSHOTD-VIFPVBQESA-N 342.386 4.199 0 50 EIAA Cc1ccc2nc(CN[C@@H](Cc3ccccn3)c3ccccc3)cn2c1 408514179 YSKUEZHUDLIQJW-NRFANRHFSA-N 342.446 4.111 0 50 EIAA O=C([C@@H]1CCC(F)(F)C1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 456719725 YXVMBKOUZKRPOC-DOMZBBRYSA-N 333.382 4.052 0 50 EIAA Cc1ccc(NC(=O)N2CC[C@H](OCc3ccccc3)C2)cc1Cl 1202804694 MDVNLTIXEMJTNK-KRWDZBQOSA-N 344.842 4.471 0 50 EIAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3cccc(Cl)c3C)C[C@@H]21 1704297120 HSTUTDTWTCGGKU-QWQRMKEZSA-N 336.863 4.053 0 50 EIAA C[C@@H](CN[C@H](Cn1ccnc1)c1ccc(F)cc1)c1cccc(F)c1 2325745006 LQVNILLLQDQROK-MGPUTAFESA-N 341.405 4.296 0 50 EIAA COc1ccc2c(c1)CCN(Cc1nc(C3CCC3)no1)[C@H]2C(C)C 2325829654 OVUNXTXZJWXHLY-IBGZPJMESA-N 341.455 4.101 0 50 EIAA COC(=O)c1ccc2ncnc(N[C@H](C)[C@@H]3CCCC[C@H]3C)c2c1 2325839927 JOZFKGSESNACKP-UMVBOHGHSA-N 327.428 4.043 0 50 EIAA CC1(C)Cc2cccc(NS(=O)(=O)c3sccc3C3CC3)c2O1 2325866792 ZZKANTOJGKKLCU-UHFFFAOYSA-N 349.477 4.140 0 50 EIAA Cc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 77630 HXBZXKCDLYGLFA-UHFFFAOYSA-N 329.359 4.451 0 50 EIAA aggregator CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc1 235840 IKQXZIJJDGWOLM-LBPRGKRZSA-N 341.436 4.081 0 50 EIAA Cc1ccc(-c2nnc(SC(=O)OCc3ccccc3)o2)cc1 272926 XTTLRBCFFYDOOY-UHFFFAOYSA-N 326.377 4.474 0 50 EIAA O=C1N[C@@H](c2cccc(OCc3ccccc3)c2)Nc2ccccc21 410053 UFQXXOKTNXKMSO-FQEVSTJZSA-N 330.387 4.120 0 50 EIAA O=S(=O)(N[C@H]1CCCC[C@H]1Sc1ccccc1)c1ccccc1 2875697 SBJFBNCYLLCAJF-ZWKOTPCHSA-N 347.505 4.068 0 50 EIAA O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1c1ccccc1 4991983 ALEHLEAKWRKJFF-HXUWFJFHSA-N 335.790 4.194 0 50 EIAA C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 11592835 IMONTRJLAWHYGT-RBFKZVKLSA-N 340.463 4.063 0 50 EIAA biogenic,in-man Cc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2Cl)c1C 11690167 CNYJQWNBBWBYAS-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA CC(=O)c1cc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)cs1 12713841 MJFYAIRIZLFYBP-KRWDZBQOSA-N 332.444 4.166 0 50 EIAA CC(C)(C)c1cc(NC(=O)Nc2ccccc2Br)no1 13745987 UYTYETDWJCNCBR-UHFFFAOYSA-N 338.205 4.379 0 50 EIAA Cc1ccsc1C(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 15073863 IOHFISHLCMXEOK-QGZVFWFLSA-N 349.459 4.321 0 50 EIAA COc1ccc(CCN(C)Cc2c(F)cccc2Cl)cc1OC 19635156 NYGJQPFTBFKMRK-UHFFFAOYSA-N 337.822 4.171 0 50 EIAA CC(C)c1nc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)no1 19837124 CWDQLWJWYXFOKE-UHFFFAOYSA-N 345.406 4.167 0 50 EIAA CC[C@@H](C)N(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 55343305 FEFBWFCBCWIWPL-CYBMUJFWSA-N 332.831 4.264 0 50 EIAA O=C(CCC(F)(F)F)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72481188 UMPPTTOBQVJART-CYBMUJFWSA-N 343.324 4.098 0 50 EIAA Cc1ccc(NC(=O)NCCCOC2CCCC2)c2cccnc12 143338160 YYAOMDPLZCGMTO-UHFFFAOYSA-N 327.428 4.014 0 50 EIAA Cc1nc(CC(=O)Nc2nc3c(s2)CCCCCC3)c(C)s1 161836331 SPCHNOBZXWHIQB-UHFFFAOYSA-N 335.498 4.057 0 50 EIAA O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)C1=CCCCO1 170593890 JSIKXSDFJHQEQV-UHFFFAOYSA-N 332.419 4.229 0 50 EIAA O=C(c1cc2ccccc2s1)N1CCC(Nc2nccs2)CC1 190439691 TWGYXFJQEXSZEG-UHFFFAOYSA-N 343.477 4.075 0 50 EIAA Cc1cc([C@H](C)NCc2ccc(CN3CCc4ccccc43)cc2)no1 289552009 CFHTVYCONQFPBM-KRWDZBQOSA-N 347.462 4.397 0 50 EIAA COc1cc(/C=C/CN2Cc3cc(C)ccc3O[C@H](C)C2)ccc1O 299766055 BGHCPERJPRUUQD-DWTRPJMMSA-N 339.435 4.006 0 50 EIAA CCCN(CC1CC1)C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 426428073 PEUGIHVKCANLJV-UHFFFAOYSA-N 333.435 4.492 0 50 EIAA CCC[C@@H]1C[C@H](c2nc(Cc3ccc(C)nc3Cl)no2)CCO1 864096526 CSIXONBNDVLUAF-ZIAGYGMSSA-N 335.835 4.080 0 50 EIAA O=C(Nc1ncc(Cl)cc1Cl)c1oc(C2CC2)nc1C(F)F 1354167315 BQRAYRCKMNJAFP-UHFFFAOYSA-N 348.136 4.444 0 50 EIAA Cc1cc([C@@H](C)NC(=O)Nc2ccc3c(c2)OCO3)cc(C)c1F 2325737979 XAAQPTMPSUUUKJ-GFCCVEGCSA-N 330.359 4.054 0 50 EIAA O=C(COc1ccc(F)c(Cl)c1)O[C@@H]1CCC[C@@H]1c1cccnc1 2325743011 PZTYMVWQEHPORV-RHSMWYFYSA-N 349.789 4.132 0 50 EIAA Cc1cc2cc(CNCc3c(Cl)n[nH]c3C3CC3)ccc2n1C 2325788586 PXRRLBYCZVKACL-UHFFFAOYSA-N 328.847 4.030 0 50 EIAA COc1ccc(-c2ccc(CN3CCC[C@@H](OC)C3)cc2)cc1F 2356152404 HPPGITLHOPKBNS-GOSISDBHSA-N 329.415 4.112 0 50 EIAA Cc1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)c1 109674 FZVBTNKDPWXQCI-GOSISDBHSA-N 339.435 4.238 0 50 EIAA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccc(F)c1 353015 FTESBNRHRROYDS-UHFFFAOYSA-N 331.350 4.393 0 50 EIAA O=C(Nc1ccc(Br)cc1)Nc1cc(F)ccc1F 399406 KQDNPDNIKQSMKH-UHFFFAOYSA-N 327.128 4.371 0 50 EIAA Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)cc3C)c2n1 2978896 FNJHEKKZEBUZBQ-UHFFFAOYSA-N 347.823 4.273 0 50 EIAA CCSCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3000943 JZJZIUTWFMLPSC-UHFFFAOYSA-N 345.308 4.207 0 50 EIAA COc1ccc(C)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C 4809519 BFGYGCYNPOEQFE-UHFFFAOYSA-N 333.453 4.236 0 50 EIAA CCCc1nnc(NC(=O)Cc2coc3cc(C)cc(C)c23)s1 6809842 IBILZTIIOKKCHH-UHFFFAOYSA-N 329.425 4.035 0 50 EIAA Cc1cc2c(cc1Cl)N(C(=O)/N=c1\cc[nH]c3ccccc13)CC2 7997417 BPVGSWDWIRIUME-UHFFFAOYSA-N 337.810 4.213 0 50 EIAA CC[C@H](C)NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 12138458 YBRQJAUQPWPCGN-ZDUSSCGKSA-N 344.842 4.050 0 50 EIAA CSc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 14257198 VVEQTKIJVVXBBX-UHFFFAOYSA-N 335.494 4.408 0 50 EIAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)CCc1ccccn1 19111253 WTPKZCKOYJKUMK-UHFFFAOYSA-N 341.842 4.373 0 50 EIAA COc1ccc(CCNCc2ccccc2C(F)(F)F)cc1OC 19720700 XCWDZNIDJYDLEI-UHFFFAOYSA-N 339.357 4.055 0 50 EIAA Fc1ccccc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1 55543017 RXUDBUGURFJWHV-UHFFFAOYSA-N 339.241 4.455 0 50 EIAA O=C(NCCCc1ccc(F)cc1)c1ccc([C@H]2CCCO2)s1 91474792 ZKAOLJXJXBHFLP-OAHLLOKOSA-N 333.428 4.101 0 50 EIAA CCO[C@@H](C)CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 96149072 SMNOBKGLJPCBIO-HNNXBMFYSA-N 328.412 4.368 0 50 EIAA COc1cc(NC(=O)N2CCCc3ccccc3C2)ccc1Cl 194379793 KQQTUBKBYPUMDG-UHFFFAOYSA-N 330.815 4.329 0 50 EIAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1Cl 247425834 SLRLKULDMBMYPI-OLZOCXBDSA-N 341.282 4.444 0 50 EIAA O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1cccnc1 253407887 KGRYSDZAGXODCQ-QGZVFWFLSA-N 325.799 4.155 0 50 EIAA COC(=O)c1ncc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 328594730 AMKAMKULDCAISP-UHFFFAOYSA-N 346.814 4.071 0 50 EIAA Cc1sc(C(=O)O)cc1CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C 408521822 KIUVEULBXKTGFZ-XHDPSFHLSA-N 333.428 4.272 0 50 EIAA COc1ccccc1-c1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 417218394 GNQWMVYARRZPQT-HNNXBMFYSA-N 336.391 4.438 0 50 EIAA O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCc2cccc(Cl)c21 679468903 YJNLEZJNEGYDED-KRWDZBQOSA-N 341.838 4.437 0 50 EIAA CCCNC(=O)c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 952964207 URLOZEDRHHDMLZ-UHFFFAOYSA-N 345.855 4.394 0 50 EIAA Cn1ccc2c(NC(=O)/C=C/c3cnn(-c4ccccc4)c3)cccc21 1875253143 JFPKEBQHNISAIH-ZHACJKMWSA-N 342.402 4.016 0 50 EIAA O=C(c1cnc(-c2cccs2)s1)N1CC=C(c2ccccc2)C1 1875258223 FNZKGHDJIKKRQD-UHFFFAOYSA-N 338.457 4.411 0 50 EIAA CC1(C)CO[C@@H](C(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)C1 1875358148 LIMACIVEWXPWDA-LEWJYISDSA-N 349.474 4.170 0 50 EIAA CN(C)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 43964 NNVUWMNSPHOFBR-CYBMUJFWSA-N 337.250 4.024 0 50 EIAA Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)c(Br)c1 405628 WLFNOSLFAFZPFJ-LBPRGKRZSA-N 334.213 4.164 0 50 EIAA O=S(=O)(Nc1cccnc1)c1ccc(-c2ccc(Cl)cc2)cc1 464829 NECOJWFCMIRMIK-UHFFFAOYSA-N 344.823 4.203 0 50 EIAA Cc1cccc2c(C(=O)N3CCC[C@H](C)C3)cc(-c3cccnc3)nc12 477202 JQSFYIVZAZNLAN-HNNXBMFYSA-N 345.446 4.477 0 50 EIAA Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)cs1 579624 FXJQSKYIKXPPLG-UHFFFAOYSA-N 348.424 4.058 0 50 EIAA C[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1 1299834 MIAFUJCNSRPMOS-NSHDSACASA-N 342.399 4.473 0 50 EIAA CCOC(=O)N[C@H](c1ccccc1F)[C@@H]1CCc2ccccc2C1=O 1394511 DSIBFIVRUVDNPE-FUHWJXTLSA-N 341.382 4.058 0 50 EIAA C[C@@H]1CCCCN1CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 2164620 QQWVYTCJSIMTRC-GFCCVEGCSA-N 344.286 4.379 0 50 EIAA Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)O)n2)cc1 2896610 GAEKXMRFUJRVJV-UHFFFAOYSA-N 338.388 4.069 0 50 EIAA c1ccc(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1 4977645 SHSUSFFGWQNNFQ-UHFFFAOYSA-N 345.446 4.196 0 50 EIAA Cc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)C[C@@H]2C)cc1 6698212 JHSKVGDRAVNDCX-SFHVURJKSA-N 337.467 4.354 0 50 EIAA FC(F)(F)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19536498 JINROPLQDDLDDV-UHFFFAOYSA-N 334.385 4.023 0 50 EIAA Cc1oc(-c2ccsc2)nc1CN(CC1CCC1)C[C@@H]1CCCO1 20821404 SXVKJCAAIVUXHO-KRWDZBQOSA-N 346.496 4.493 0 50 EIAA CSCCNC1CCN(c2cccc(-c3ccccc3)c2)CC1 23581791 HTCOGQBYNKFARF-UHFFFAOYSA-N 326.509 4.275 0 50 EIAA Clc1ccc(Cc2noc(-c3ccc(-c4cccnc4)nc3)n2)cc1 72147964 JVXRFIYPOCNESF-UHFFFAOYSA-N 348.793 4.438 0 50 EIAA Cc1cc2nc(-c3ccccc3)cc(N[C@H](C)Cc3cccnc3)n2n1 72479846 VJNXIPPIGOOZRH-OAHLLOKOSA-N 343.434 4.143 0 50 EIAA COc1ccc([C@H](C)NC(=O)Nc2c(C)cc(C)nc2C)cc1F 95506497 NWBCBQJFIDULBT-LBPRGKRZSA-N 331.391 4.037 0 50 EIAA CCCN(Cc1ccsc1)C(=O)[C@H](c1ccccc1C)N(C)C 95530102 HJKDNYIHTHKQBC-SFHVURJKSA-N 330.497 4.098 0 50 EIAA Cc1cccc(Cl)c1NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 132728768 KASHSFMMHQPVAQ-MRXNPFEDSA-N 348.805 4.393 0 50 EIAA COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1c(C)cccc1C 174491501 ODBKPADEWPDZPX-MRXNPFEDSA-N 326.440 4.407 0 50 EIAA Cc1ccc(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1 192563142 SXXNVPPNUHAZKJ-UHFFFAOYSA-N 329.450 4.444 0 50 EIAA O=C(c1nc2cccnc2s1)N1CCCCC[C@@H]1c1ccco1 193952793 NVRRFAZNDNWQFD-CYBMUJFWSA-N 327.409 4.042 0 50 EIAA c1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)cc1 229967754 PDPGROKNZXOTHB-CTNGQTDRSA-N 327.387 4.324 0 50 EIAA Cc1csc(-c2ccc(NC(=O)C[C@H](C)[C@@H]3CCCNC3)cc2)n1 237377365 VBJRHPTTYKHPRJ-XJKSGUPXSA-N 343.496 4.083 0 50 EIAA CC(=O)c1cc(CN(C)Cc2cc(-c3cccs3)n[nH]2)cs1 244584338 CXMOURZZJHIDHD-UHFFFAOYSA-N 331.466 4.034 0 50 EIAA c1ccc(Cn2cncc2CN2CCCC[C@@H]2c2nccs2)cc1 244601962 DVCVOBNJMJNAGA-GOSISDBHSA-N 338.480 4.115 0 50 EIAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nccs1 246858567 DLVQUIFASURMGD-ULQDDVLXSA-N 326.465 4.309 0 50 EIAA CO[C@H]1CC[C@H](NC(=O)c2cccc(-c3ccc(F)cc3)c2)CC1 247844317 PDJSGDWHYIFFFM-WGSAOQKQSA-N 327.399 4.180 0 50 EIAA O=C(O[C@@H](c1nc2ccccc2o1)C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 252501364 UFHQCQSOLSQFTO-DYNIEEOBSA-N 339.313 4.411 0 50 EIAA CCN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@H](c1ccc(F)cc1)c1cccnc1 252511671 JIFBHEAKSHKMJH-FUMNGEBKSA-N 338.426 4.205 0 50 EIAA CC[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(C)nn1C1CCCC1 299761816 YMNKXRZKVZJIDT-KRWDZBQOSA-N 341.459 4.317 0 50 EIAA O=C(N[C@H]1CCCCC12CCCC2)N[C@H]1CCCC12CCOCC2 332876229 SQMQUMMNULNXCP-IRXDYDNUSA-N 334.504 4.138 0 50 EIAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ocnc1C1CC1 377498129 XVEXMEVOENTJNZ-UHFFFAOYSA-N 337.354 4.314 0 50 EIAA CN(C)C(=O)c1cccc(NC2CC(c3ccccc3Cl)C2)c1 390286170 FSPSIVYWLBRASL-UHFFFAOYSA-N 328.843 4.400 0 50 EIAA CCN(C(=O)C[C@H]1CCOC1)[C@@H](c1ccccc1)c1ccc(F)cc1 408512944 GRVYLEDUTATSLS-IERDGZPVSA-N 341.426 4.190 0 50 EIAA CCc1nc(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)cs1 672566427 OKGKOCRTBUMRRB-AWEZNQCLSA-N 332.473 4.083 0 50 EIAA O=C(c1oc(C2CC2)nc1C(F)F)N(c1ccccn1)C1CCCC1 1349463557 ZXXINGSYBPHSSY-UHFFFAOYSA-N 347.365 4.474 0 50 EIAA FC(F)(F)Cc1ccc(-c2nccn2CC[C@H]2CCCCN2)cc1 1857684463 OSVJYHREVHWPSL-MRXNPFEDSA-N 337.389 4.187 0 50 EIAA CN(C)c1cccc(Cl)c1CN[C@@H]1CCN(C)c2ccccc21 1875259998 VVBWGZPBCKOMBN-QGZVFWFLSA-N 329.875 4.077 0 50 EIAA CC[C@@H](NC(=O)C[C@@](C)(O)c1ccccc1)c1cccc2cc[nH]c12 1875320316 PCHRGARDVPPVNW-WIYYLYMNSA-N 336.435 4.033 0 50 EIAA Cc1cc(Cl)cc(-c2ccnn2CC2CC2)c1OC1CCNCC1 1875329733 GCAIQRLGMWXIQK-UHFFFAOYSA-N 345.874 4.053 0 50 EIAA CC(=O)NC(C)(C)c1noc([C@H](C)[C@H](C)c2ccc(Cl)cc2)n1 2325801814 XLIALHWRZQTINV-WDEREUQCSA-N 335.835 4.001 0 50 EIAA C[C@@H]1CCc2c(sc3ncn(Cc4cccc(Cl)c4)c(=O)c23)C1 98392 ZLLWWSADMHVGSE-LLVKDONJSA-N 344.867 4.285 0 50 EIAA Brc1ccc(-c2csc(Nc3ncccn3)n2)cc1 190313 CGOCTGZJEXOMEP-UHFFFAOYSA-N 333.214 4.106 0 50 EIAA Ic1ccc(-c2nc(-c3ccccc3)no2)cc1 449998 VCKNESCNCSNXMD-UHFFFAOYSA-N 348.143 4.008 0 50 EIAA O=C(CSc1nc(-c2ccccc2)cs1)NC1CCCCC1 1104171 IZSXFABQZCDOPM-UHFFFAOYSA-N 332.494 4.351 0 50 EIAA CCCCNCc1cc(OCC)c(OCC)cc1Br 2846133 FRZOPWWIAGMKJM-UHFFFAOYSA-N 330.266 4.136 0 50 EIAA COc1cccc(OC)c1OCCCOc1ccccc1OC(C)C 2994759 YIMQNGLYILKLIV-UHFFFAOYSA-N 346.423 4.339 0 50 EIAA Cc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 4820640 DSUXMXPGRRFHII-UHFFFAOYSA-N 334.371 4.118 0 50 EIAA CCCCC[C@H](C(=O)Nc1ccc(C)cc1)n1nnc2ccccc21 6398589 UUHQCQQRLNXIQB-LJQANCHMSA-N 336.439 4.500 0 50 EIAA CCc1nc(C)c(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)[nH]1 12434036 SUAUQXSAPOVOQH-HNNXBMFYSA-N 345.874 4.029 0 50 EIAA Cc1ccc([C@@H](C)NCC(=O)N[C@H](C)c2ccc(C)cc2C)c(C)c1 13323145 KXGBTFHDEVFSQZ-RTBURBONSA-N 338.495 4.448 0 50 EIAA COc1ccc(F)c(-c2nc3c(cnn3[C@@H](C)C3CC3)[nH]2)c1Cl 20205009 AVPPCCGPWALRDD-QMMMGPOBSA-N 334.782 4.199 0 50 EIAA Cc1ccc(N2CCN(Cc3ccccc3Br)CC2)cc1 53026003 PLJANWKTVZORDK-UHFFFAOYSA-N 345.284 4.080 0 50 EIAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cc(C)c(C)s1 55325291 PIBVKVGAZFWXDM-UHFFFAOYSA-N 341.480 4.254 0 50 EIAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1Cn1cncn1 67588461 UEFMGJOVDMGERX-UHFFFAOYSA-N 332.363 4.082 0 50 EIAA Cc1nc(C(C)C)nc(C)c1OCc1nc(-c2ccco2)oc1C 67696061 OGUQBWYSISEVQY-UHFFFAOYSA-N 327.384 4.352 0 50 EIAA CN(C)CC[C@@H]1CCCCN1Cc1ccc(F)c(C(F)(F)F)c1 72159407 ZRZQHJBXCHSSLF-AWEZNQCLSA-N 332.385 4.151 0 50 EIAA Cc1cccc(-c2cccc(NC(=O)N3CCC[C@H](N(C)C)C3)c2)c1 96150209 JTUHTIAYEZFLGM-FQEVSTJZSA-N 337.467 4.220 0 50 EIAA O=C(c1cc2cc(Br)ccc2[nH]1)C(Cl)(Cl)Cl 97756611 PNMFANFTKZAXNQ-UHFFFAOYSA-N 341.419 4.483 0 50 EIAA COc1ccc(-c2cc(C(=O)N(C)C(C)C)nn2-c2ccccc2)cc1 128974374 DXJDNDOIASRTAM-UHFFFAOYSA-N 349.434 4.028 0 50 EIAA COc1ccccc1C[C@H](C)N[C@H](c1nc2ccccc2[nH]1)C(C)C 170669661 FRCBQYITQVKREN-YWZLYKJASA-N 337.467 4.489 0 50 EIAA Cc1nnc(CN[C@@H](Cc2ccccc2Cl)c2ccccc2)o1 181601173 QVNYQNJIPZAXPM-KRWDZBQOSA-N 327.815 4.105 0 50 EIAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 183798489 WBGXCVFYIOPODM-WBAXXEDZSA-N 331.415 4.205 0 50 EIAA CC(C)c1ccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc1Cl 189527343 XRHLZAQRCXBWOM-KRWDZBQOSA-N 345.874 4.347 0 50 EIAA O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1nncs1 263588556 VRISPFBBCUIUHU-QGZVFWFLSA-N 348.431 4.111 0 50 EIAA Cc1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)ns1 278577594 KZLMFKNACKXNFN-UHFFFAOYSA-N 349.525 4.225 0 50 EIAA Cc1cn2cccc(C(=O)N(CCC3=CCCCC3)CC3CC3)c2n1 299793331 INWTTZAIZJXOJP-UHFFFAOYSA-N 337.467 4.385 0 50 EIAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cnc3c(c2)CCCC3)no1 426530574 UURRZAPTLLOJPL-GOSISDBHSA-N 339.439 4.049 0 50 EIAA CCOc1ccc([C@H](CC)NC(=O)N(C)Cc2ccnc(C)c2)cc1 534653026 VOUOLYRBQMILAK-IBGZPJMESA-N 341.455 4.081 0 50 EIAA CCCC[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccnc1 534654331 FUHADAVOGVVDDH-GOSISDBHSA-N 332.394 4.340 0 50 EIAA CCCO[C@H]1CCCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C1 952969591 BWEXAPGIWSZVGN-IBGZPJMESA-N 345.462 4.019 0 50 EIAA O[C@@H]1CCC[C@]12CCCN(Cc1ccc3c(c1)Cc1ccccc1-3)C2 1704303444 YSPAXOSYXFLSKX-DHIUTWEWSA-N 333.475 4.385 0 50 EIAA Oc1cc(C2CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)ccn1 1772810467 HXAYJDJWVVBGBO-SFHVURJKSA-N 342.439 4.001 0 50 EIAA CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1 457707 QOOMLSCPANFPRK-UHFFFAOYSA-N 348.855 4.174 0 50 EIAA CCCCNC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 2760091 PQVACQAOXJFJNF-UHFFFAOYSA-N 348.450 4.139 0 50 EIAA CCCOc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1 2992923 WTOCHNNBYVSARI-UHFFFAOYSA-N 333.771 4.079 0 50 EIAA O=C(Nc1cccc(Cl)c1)c1cc(Br)ccc1F 4542202 QGGZNRMXDDSWOQ-UHFFFAOYSA-N 328.568 4.494 0 50 EIAA CCCCOc1ccc(CN2CCN(c3ccccc3F)CC2)cc1 4980634 AYOXQXKPWUYVDX-UHFFFAOYSA-N 342.458 4.327 0 50 EIAA N=C1NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 5007499 REMMNCHRIXUIFQ-KPKJPENVSA-N 338.310 4.104 0 50 EIAA CCc1nccn1-c1cc(C(C)C)nc2c(-c3ccccc3)cnn12 5206742 MJXZZZBUGALAIT-UHFFFAOYSA-N 331.423 4.268 0 50 EIAA O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccccc1 6743351 COHNPUCUOODDOO-OAHLLOKOSA-N 331.799 4.150 0 50 EIAA C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(C(C)(C)C)cc1 10111909 LURAPBBGKUNDAO-LIRRHRJNSA-N 339.435 4.001 0 50 EIAA O=C(C[C@H](c1cccc(O)c1)c1ccccc1Cl)NC1CCC1 12314099 YSVLPDLCPJFJSJ-QGZVFWFLSA-N 329.827 4.236 0 50 EIAA Cc1ccc(Cl)cc1N1CCN(C(=O)CCC2CCCC2)CC1 13331831 ARJYYBVNXIJTRL-UHFFFAOYSA-N 334.891 4.267 0 50 EIAA Cc1ccc(-c2cccc(-c3ccn(Cc4ccncc4)n3)c2)cn1 20864166 NFSGODOOQMYNNH-UHFFFAOYSA-N 326.403 4.364 0 50 EIAA CCOCCn1ccc(-c2cccc(-c3ncccc3Cl)c2)n1 23506228 ZVCBZZGSFFPQDW-UHFFFAOYSA-N 327.815 4.302 0 50 EIAA O=C1C[C@H](c2ccc(F)cc2Cl)c2cnn(-c3ccccc3)c2N1 65365040 QUXOUZVUUCCIOQ-CQSZACIVSA-N 341.773 4.139 0 50 EIAA O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ccccc2F)C1 77303353 ZBSCFBNZWFRNRN-OAHLLOKOSA-N 336.366 4.110 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N3CC(Oc4ccccc4C)C3)c(C)c2c1 92062380 MCZFZIRRBWQVIA-UHFFFAOYSA-N 348.446 4.305 0 50 EIAA CC(=O)Nc1cccc([C@H](C)NC[C@H]2CCO[C@H]2c2ccccc2)c1 241170973 KDFMCXUBKDVLCS-DLVCFXQMSA-N 338.451 4.073 0 50 EIAA c1ccc([C@@H]2[C@@H]3N2[C@@H](c2ccccc2)N2O[C@]32c2ccccc2)cc1 252489073 JEKWBADSIIAEGZ-JJKKTNRVSA-N 326.399 4.225 0 50 EIAA C[C@]12CC[C@@H]3[C@H](C=CC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 253498967 BFKPXLDFMBGVDL-DNNXKHSDSA-N 342.479 4.162 0 50 EIAA biogenic CC(C)c1cc(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)no1 274449368 KMSIFUJYWIMGBQ-OAHLLOKOSA-N 349.818 4.057 0 50 EIAA O=C(c1ccc2c(c1O)CCCC2)N1CCC(c2ccsc2)CC1 436703665 JFRHYSJVMNGUKE-UHFFFAOYSA-N 341.476 4.352 0 50 EIAA CC1(C)CN(C(=O)COc2ccc(Cl)cc2Cl)[C@H]1C1CC1 460970489 VPDGBLVQZLHGOA-HNNXBMFYSA-N 328.239 4.019 0 50 EIAA CC[C@@H](c1ccccn1)N(C)Cc1cc(OC)c(SC)cc1OC 952992051 YQKLFRASUVTRMP-INIZCTEOSA-N 346.496 4.404 0 50 EIAA CC(=O)c1cc(CN(C)Cc2cnn(-c3cccc(C)c3)c2)cs1 1506423971 ADFNBHLNOOEGII-UHFFFAOYSA-N 339.464 4.077 0 50 EIAA O=Cc1cc(C=O)cc(-c2cccc(-c3cc(C=O)cc(C=O)c3)c2)c1 1848350018 OBMHTVTWYFFIJL-UHFFFAOYSA-N 342.350 4.271 0 50 EIAA CN(Cc1cccc(N2CCCC2)c1)C(=O)c1cccc2c1ccn2C 1875324547 CPKKXSRHLGPMHB-UHFFFAOYSA-N 347.462 4.051 0 50 EIAA CCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C 184361 VICCECNPIXHWCA-UHFFFAOYSA-N 345.752 4.065 0 50 EIAA COc1ccc(CCNc2nc(-c3ccccc3)cs2)cc1OC 190247 AXNKEDUDKUAHFV-UHFFFAOYSA-N 340.448 4.482 0 50 EIAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 373839 YTIHMGQKGANCNO-UHFFFAOYSA-N 333.343 4.460 0 50 EIAA CC(C)(C)c1csc(NC(=O)c2ccc(Br)cc2)n1 450983 QAWYRTBXMOXTAK-UHFFFAOYSA-N 339.258 4.455 0 50 EIAA CCn1nc(C)c(NC(=O)Nc2cccc(Cl)c2Cl)c1C 610776 QPDAUDLKLGLCPX-UHFFFAOYSA-N 327.215 4.471 0 50 EIAA COc1cccc(C(=O)NCCSCc2ccccc2Cl)c1 2845949 KIOYRNJPERUQDG-UHFFFAOYSA-N 335.856 4.012 0 50 EIAA CCCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccccc1-2 2913878 MOVORORECZRLPR-HNNXBMFYSA-N 340.408 4.137 0 50 EIAA Cc1ccc(-c2noc(CNC(=O)c3ccc4ccccc4c3)n2)cc1 6698014 FKMXXSYRMIXFOO-UHFFFAOYSA-N 343.386 4.128 0 50 EIAA CCOC(=O)c1ccc(NC(=S)NCCC2=CCCCC2)cc1 8682663 COCAZRZVVAWYJH-UHFFFAOYSA-N 332.469 4.040 0 50 EIAA Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)c1 10543939 HIWSPZXEFXBIGC-CQSZACIVSA-N 337.872 4.137 0 50 EIAA Cc1ccsc1-c1nc(CN(CCO)Cc2cccs2)c(C)o1 11814243 XQFOSVWFLRHIMM-UHFFFAOYSA-N 348.493 4.076 0 50 EIAA Cc1ccc(-c2noc([C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)n2)cc1Cl 19744987 GICRIGHSGOFAAT-ZWKOTPCHSA-N 346.814 4.277 0 50 EIAA O=C1C[C@H](c2ccccc2C(F)(F)F)c2cnn(C3CCCC3)c2N1 65489983 UGBNFMVQEXJKDL-CYBMUJFWSA-N 349.356 4.491 0 50 EIAA Cc1cc(-c2ccc([C@@H](C)N3CCCCC3)cc2)cnc1-n1cnnc1 65503453 HTYRXLSCBSJEIM-QGZVFWFLSA-N 347.466 4.185 0 50 EIAA O=C(C[C@@H]1C=CCC1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67856794 LHXXLTUZLPRAKV-GOSISDBHSA-N 349.478 4.063 0 50 EIAA O=C(CN(Cc1ccccc1)Cc1ccccc1)OCc1ccccc1 71782733 CGUUNCXYRZIRJH-UHFFFAOYSA-N 345.442 4.432 0 50 EIAA CC(C)(C)OC(=O)NCCc1ccc(OC(=O)OC(C)(C)C)cc1 74938213 ZZHXJIFOCYEAGB-UHFFFAOYSA-N 337.416 4.068 0 50 EIAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1 77439345 FRURQIMFXOULEZ-INIZCTEOSA-N 342.439 4.038 0 50 EIAA Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CC3)ccc2o1 91459930 DXWNVJOISLZTJK-UHFFFAOYSA-N 349.386 4.275 0 50 EIAA CC(C)Oc1c(Cl)cccc1NC(=O)N(C)[C@H](C)c1ccon1 96180875 VVFWDZBFJLFYQT-LLVKDONJSA-N 337.807 4.340 0 50 EIAA Cc1cccnc1[C@H](NC(=O)N1CCCc2sccc2C1)C(C)C 170627518 AVNNUNNEQYONMG-QGZVFWFLSA-N 343.496 4.307 0 50 EIAA CC(=O)Nc1nccc(-c2sc(-c3ccc(Cl)cc3)nc2C)n1 202758175 UUUASOSWRQBVMG-UHFFFAOYSA-N 344.827 4.187 0 50 EIAA CC(=O)N1CCC[C@H](c2nc(C3CCC(F)(F)CC3)cs2)C1 277387033 NKWCWTKIQIRTIS-ZDUSSCGKSA-N 328.428 4.162 0 50 EIAA COCc1cnc(NC(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)s1 333832260 LNFKBIKIOAPFQX-AWEZNQCLSA-N 337.489 4.112 0 50 EIAA CO[C@@H](C)c1nsc(N2CCC[C@H]2c2nc3ccccc3s2)n1 369334536 LHNKNQZCOMXVKK-JQWIXIFHSA-N 346.481 4.197 0 50 EIAA CC(=O)c1ccc(-c2ccc(C(=O)N3CC=C(C)CC3)cc2)s1 426602364 FYVZJXJNWGPDCF-UHFFFAOYSA-N 325.433 4.410 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)Nc1cnn(Cc2ccccc2)c1 617179309 PMJNCJIOKAJMRI-UHFFFAOYSA-N 340.452 4.072 0 50 EIAA O[C@H](CNCc1ccc2occc2c1)c1ccc(C(F)(F)F)cc1 808426326 QVZHGAOPXYAJMS-MRXNPFEDSA-N 335.325 4.275 0 50 EIAA O=C(c1cc(C(F)F)ncn1)N(CC1CCCCC1)c1ccccn1 904030885 RRLJQEMZXWYVLS-UHFFFAOYSA-N 346.381 4.036 0 50 EIAA CCCn1ncc(NC(=O)N[C@](C)(CC)C(F)(F)F)c1C1CC1 933518404 FEOHWBRBOFLOFN-CQSZACIVSA-N 332.370 4.023 0 50 EIAA C[C@@H](CNC(=O)c1ccsc1C(F)F)c1nc2ccccc2o1 934001075 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347.490 4.306 0 50 EIAA CC(=O)Oc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1 5065154 QINJJWLVCXNVQU-UHFFFAOYSA-N 325.393 4.182 0 50 EIAA Cc1ccc(CN2CCOc3c(O)cc(-c4ccccn4)cc3C2)cc1 12190183 POZYYTIHNZFKPR-UHFFFAOYSA-N 346.430 4.157 0 50 EIAA Cc1ccc(Cn2ccc(NC(=S)Nc3ccccc3C)n2)cc1 13330858 IFMJLHLRLIAEDU-UHFFFAOYSA-N 336.464 4.357 0 50 EIAA O=C(Nc1nnc(-c2ccncc2)s1)c1ccc2ccccc2c1 13331276 DWLPYLFQOZXXJO-UHFFFAOYSA-N 332.388 4.006 0 50 EIAA c1ccc(COc2ccc(CN3CCC[C@@H](c4ccn[nH]4)C3)cc2)cc1 14989171 XPSYTHXOYVBZCF-HXUWFJFHSA-N 347.462 4.368 0 50 EIAA CCCN1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 15078612 KHSCJQGTMYZBEN-SFHVURJKSA-N 336.479 4.205 0 50 EIAA c1cc(CN2CCC[C@@H](N3CCCC3)C2)cc(OC2CCCC2)c1 22913731 ITQJFHJVAXZRKJ-LJQANCHMSA-N 328.500 4.068 0 50 EIAA OC[C@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 23114990 HPPZPHOCCXKJNK-INIZCTEOSA-N 331.843 4.337 0 50 EIAA CCc1cnc(-c2cccc(-c3ccn(C[C@H]4CCCCO4)n3)c2)nc1 23339849 BHKIJCXEDJPCLG-LJQANCHMSA-N 348.450 4.139 0 50 EIAA c1ccc(OC2CCCC2)c(CN2CCC[C@H](N3CCCC3)C2)c1 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OSVVBNRIWISDKU-JQKHNHIHSA-N 335.438 4.147 0 50 EIAA COc1ccc(CNC(=S)Nc2ccccc2C(F)(F)F)cc1 610382 YLPSTPMRLNJQNR-UHFFFAOYSA-N 340.370 4.201 0 50 EIAA Nc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)sc2c1 617821 XQZRGTSLILQVMR-UHFFFAOYSA-N 349.868 4.263 0 50 EIAA CCCOc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1 2582797 YWPOEFUTMKFNCC-KPKJPENVSA-N 329.827 4.458 0 50 EIAA Cn1c(Cc2cccs2)nnc1SC/C=C/c1ccccc1 2865817 APAHINLXOSYAPN-WEVVVXLNSA-N 327.478 4.273 0 50 EIAA O=C(O)c1ccccc1SCCSc1nc2ccccc2o1 2952362 GUHOWGXJSXQZBU-UHFFFAOYSA-N 331.418 4.410 0 50 EIAA CC(=O)Oc1cccc2ccc(/C=C/c3ccc4c(c3)OCO4)nc12 4302794 QFFGNNWJDYZPGF-VMPITWQZSA-N 333.343 4.059 0 50 EIAA Cc1ccc(C)c([C@@](O)(c2ccccc2)c2cnc(C(C)C)n2C)c1 4566746 IAYCVHYZNXCXHF-QFIPXVFZSA-N 334.463 4.445 0 50 EIAA O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1ccccc1F 11865815 POWHJVSRABSEFW-INIZCTEOSA-N 344.411 4.100 0 50 EIAA Cc1cnc(NC(=O)c2cc(Br)ccc2Cl)s1 13326356 HZUWCQUSMKLSLW-UHFFFAOYSA-N 331.622 4.120 0 50 EIAA O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1cccs1 22461568 GBPVIAAUUPYYLV-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA c1cc([C@H]2CCCCO2)oc1CN1CCc2n[nH]c(C3CCC3)c2C1 23158607 QAOVLGTWRIMHRO-GOSISDBHSA-N 341.455 4.070 0 50 EIAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@@H](C)CN(C)C(C)C 55255983 OFIDGXWOHNDHHD-INIZCTEOSA-N 347.503 4.039 0 50 EIAA Cc1cccc(SC2CCN(C(=O)c3cnn(C(C)C)c3)CC2)c1 77440934 MMOHGRFIMSKKTH-UHFFFAOYSA-N 343.496 4.169 0 50 EIAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2csc3c2CCCC3)n1 82157234 VJYLFZHGNKYIDP-AWEZNQCLSA-N 345.468 4.111 0 50 EIAA CCO[C@H](C)CN(C)C(=O)Nc1cccc(/C=C/c2ccccn2)c1 95502031 DSUREOUEFIRLHM-LPQFERQCSA-N 339.439 4.141 0 50 EIAA Clc1ccccc1[C@@H]1CCN(c2nccc(-c3ccccn3)n2)C1 96132387 AVYZUFWTUQZLJN-CQSZACIVSA-N 336.826 4.186 0 50 EIAA Cc1ccc(-c2cc(C(=O)N3CCC[C@]4(CC=CCC4)C3)[nH]n2)cc1 170626864 LJYAUBKPCBZSHT-OAQYLSRUSA-N 335.451 4.348 0 50 EIAA CC(C)(C)c1cn2nc(N3CCC[C@@]4(CC=CCC4)C3)sc2n1 170626877 YCCNMPSFRQQBPA-SFHVURJKSA-N 330.501 4.415 0 50 EIAA CC(C)(C)c1cc(COC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)no1 225855506 BTFOPDJGCRJGCN-NEPJUHHUSA-N 335.350 4.097 0 50 EIAA Cc1cc(C)c(-c2csc(NC(=O)C3=CCOCC3)n2)cc1C 252482496 DHAFYIJYLZWMGG-UHFFFAOYSA-N 328.437 4.021 0 50 EIAA Cc1cc(C(=O)N(C)[C@@H]2CCCc3cccnc32)c(C)n1C(C)C 252549422 REHBBFGXNHEYHN-GOSISDBHSA-N 325.456 4.230 0 50 EIAA CSc1cccc(CN(C)C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 299796101 NPGCCFPJLPSIDN-ZDUSSCGKSA-N 344.484 4.240 0 50 EIAA FC(F)c1nnc(N2CCC(c3cccc4cnccc34)CC2)s1 369337938 FLAVGJRFTOCTAC-UHFFFAOYSA-N 346.406 4.408 0 50 EIAA CO[C@H]1CCCN(C(=O)c2ccc(-c3nccc4ccccc34)cc2)C1 426567135 SPNDHZWWZPYLMB-IBGZPJMESA-N 346.430 4.153 0 50 EIAA O=C(Nc1ccc(NCc2ccncc2F)cc1)N1CCCCCC1 449055784 XCYZUGGVSXZHRE-UHFFFAOYSA-N 342.418 4.241 0 50 EIAA Cc1ccc(C2(C(=O)Nc3ccc(N4C(=O)CC[C@H]4C)cc3)CC2)cc1 952990179 GUZWTCKGQVUPAY-MRXNPFEDSA-N 348.446 4.181 0 50 EIAA CC(C)c1cc(CN2CCC([C@@H](O)CCc3ccccc3)CC2)on1 1506421725 MJSPLXHKXACSDY-NRFANRHFSA-N 342.483 4.004 0 50 EIAA CCc1nc([C@@H]2C[C@@H]3CC[C@H]2O3)n(-c2cc(Cl)ccc2Cl)n1 1857719738 UHHFMMKEBZCFDY-MISXGVKJSA-N 338.238 4.171 0 50 EIAA CCOc1ccccc1O[C@H]1CCN(C(=O)C2CCC3(CC2)CC3)C1 1875334696 ZZTCTKLQWQTKKQ-KRWDZBQOSA-N 343.467 4.035 0 50 EIAA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(F)cc2)cc1 118176 AYRWCDNBMWRZPK-QGZVFWFLSA-N 343.398 4.069 0 50 EIAA Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Br 364662 VQHOTITYBPYLLP-GFCCVEGCSA-N 334.213 4.164 0 50 EIAA S=C(NCCc1ccccc1)NC(c1ccccc1)c1ccccc1 397685 GUUOYRKTCSPGKE-UHFFFAOYSA-N 346.499 4.483 0 50 EIAA COc1ccccc1-c1cc(C(=O)Nc2ccccc2SC)no1 423731 FMYKOGBCEMPFOE-UHFFFAOYSA-N 340.404 4.324 0 50 EIAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccccc1F 858605 QWMURTJQXCQGCK-UHFFFAOYSA-N 328.170 4.458 0 50 EIAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N(C)C)c2ccccc12 1170343 CKKLRDOBTWMHHT-OAHLLOKOSA-N 334.419 4.312 0 50 EIAA COc1ccc(-c2cc([C@@H](O)[C@@H]3CCCCN3)c3ccccc3n2)cc1 1608707 PKDJQOGOVQLPPG-RBBKRZOGSA-N 348.446 4.086 0 50 EIAA in-vitro COc1cccc(OCCOCCOc2cc(C)ccc2Cl)c1 2985889 VNCUUWCRRFYKQF-UHFFFAOYSA-N 336.815 4.131 0 50 EIAA COc1cc(CNCc2ccncc2)ccc1OCc1ccccc1C 4413624 ZDNBPHHKKGDBRK-UHFFFAOYSA-N 348.446 4.267 0 50 EIAA C/C(=C/c1ccccc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 4674983 PPCQEOOWFPGKRV-VLGSPTGOSA-N 334.463 4.056 0 50 EIAA COc1ccc(CNc2nc3ccc(C)cc3s2)c(OC)c1OC 4841135 NKOQVIPWGRFBHI-UHFFFAOYSA-N 344.436 4.243 0 50 EIAA O=C(NCCC1=CCCCC1)c1ccc(CN2CCCCC2)cc1 10328744 YMWHMTCHIVIIBK-UHFFFAOYSA-N 326.484 4.293 0 50 EIAA CC(=O)c1sc(N(C(=O)c2ccccc2Cl)C2CC2)nc1C 12357379 DENOHWLFOIGRJI-UHFFFAOYSA-N 334.828 4.117 0 50 EIAA CN1CCC(CN(CCCC(F)(F)F)CCc2ccccc2)CC1 14962785 HCCGUPIJNWCBDP-UHFFFAOYSA-N 342.449 4.215 0 50 EIAA O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccco1 16448124 MEZWGLXHDYTQKX-UHFFFAOYSA-N 346.386 4.125 0 50 EIAA Cc1ccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)c(C)c1 18097963 ULTDIEVIPKZEOJ-UHFFFAOYSA-N 331.379 4.227 0 50 EIAA Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cccc3ccccc23)n1 20606808 SETYTIIJQYBGKA-AWEZNQCLSA-N 336.439 4.111 0 50 EIAA COc1ccc(OC)c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 36620649 TURMGTDIFWAGLQ-KRWDZBQOSA-N 344.386 4.212 0 50 EIAA Cc1cc(Br)c(Cl)c(C)c1I 66318861 MVIPGSYIBWHXAC-UHFFFAOYSA-N 345.405 4.324 0 50 EIAA O=C1CC[C@@]2(CCCO2)CCN1Cc1ccccc1-c1ccccc1 71404082 GXZYXRDZMFPOFZ-QFIPXVFZSA-N 335.447 4.415 0 50 EIAA CC(C)CCC[C@@H]1CN(C(=O)c2c(O)ccc3ccccc23)CCO1 71736418 YWOOMMBZWYVNET-QGZVFWFLSA-N 341.451 4.213 0 50 EIAA Cc1cc(-n2cccn2)ccc1-c1nccn1[C@@H]1COC2(CCCC2)C1 82136905 PUZRLHRDDXDZDE-SFHVURJKSA-N 348.450 4.318 0 50 EIAA CCc1nc2ncc(-c3cccc(C(=O)N4CCC(C)CC4)c3)cc2[nH]1 96138437 RIJBLZLVSFGBLS-UHFFFAOYSA-N 348.450 4.059 0 50 EIAA O=C(C[C@@H]1CCc2ccccc21)NC[C@@H](O)c1ccc2ccccc2c1 115712827 YZCPHMAEIFYTLF-SIKLNZKXSA-N 345.442 4.110 0 50 EIAA Cc1cc(Sc2ccccc2)ccc1NC(=O)C1CCNCC1 155602220 IWCIBHYHTWGFPV-UHFFFAOYSA-N 326.465 4.084 0 50 EIAA Cc1nc(C)c(C(=O)NC[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)o1 156617137 KLDKNKWNIQNGHI-ZWNOBZJWSA-N 339.222 4.132 0 50 EIAA FC1(F)CCN(c2ccc(Br)cc2C(F)(F)F)C1 169725693 YIUIWNXKUQDXSM-UHFFFAOYSA-N 330.094 4.313 0 50 EIAA CC(C)Oc1ccccc1/C=C/c1ncc(C(=O)O)c(C(C)C)n1 170631377 KJUAIELMFLIWPM-MDZDMXLPSA-N 326.396 4.256 0 50 EIAA Cc1cc(CNC(=O)COc2ccccc2C)c2[nH]c(C)c(C)c2c1 225523174 PZKVDODREFATMY-UHFFFAOYSA-N 336.435 4.097 0 50 EIAA CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(C)c2ccc(Cl)cn2)cc1 252486687 HOPRFWXAZRGNFH-CYBMUJFWSA-N 344.842 4.340 0 50 EIAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc2c(c1)N(C)CC2 252494233 NOZCYWGRJMQSPX-UHFFFAOYSA-N 348.450 4.214 0 50 EIAA CCc1nc(C)sc1CNC(=O)N(C)Cc1cccc(SC)c1 584902410 PLPVNJBFEKLSDM-UHFFFAOYSA-N 349.525 4.077 0 50 EIAA C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1nc(C(=O)O)cs1 652429384 NMIRGJPJIFWECU-WDEREUQCSA-N 338.860 4.119 0 50 EIAA Cc1cc(C)n(-c2ccccc2C(=O)N2CCCc3c(C)cccc32)n1 2325828040 XGZGHIXLAHSLHO-UHFFFAOYSA-N 345.446 4.391 0 50 EIAA O=C1C[C@@H](c2cccc(Br)c2)c2cc3c(cc2N1)CCC3 107736 JQUGQXGGDXGFKW-HNNXBMFYSA-N 342.236 4.412 0 50 EIAA COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 180377 ALPCFZCANMOMSG-UHFFFAOYSA-N 340.404 4.080 0 50 EIAA O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1 614021 QZAVAFPVCBJVFV-UHFFFAOYSA-N 346.597 4.370 0 50 EIAA CC(C)(C)CC(C)(C)NC(=O)CSc1ncc(-c2ccccc2)[nH]1 2308128 UULSGYZITMMALJ-UHFFFAOYSA-N 345.512 4.500 0 50 EIAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(C)(C)C)on1 2789161 NMTDPKZAOITFIL-HNNXBMFYSA-N 330.428 4.385 0 50 EIAA Cc1ccccc1Cn1cc(NC(=S)NC2CCC(C)CC2)cn1 2799889 NXPICVJOXAJQNY-UHFFFAOYSA-N 342.512 4.105 0 50 EIAA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)o1 2871465 BEOOBZITBWPDNV-UHFFFAOYSA-N 334.091 4.313 0 50 EIAA Cc1ccc(OCCCOc2ccc(Br)cc2C=O)cc1 2875441 IRDSONQAUXPKMT-UHFFFAOYSA-N 349.224 4.418 0 50 EIAA Cc1cc(F)ccc1NC(=O)COCc1cc(-c2cccs2)on1 6876604 ZPXGWFLFMJYILW-UHFFFAOYSA-N 346.383 4.006 0 50 EIAA O=C(c1cccc2ccccc12)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 12386255 PHMVNGYXFHPMRA-HSZRJFAPSA-N 348.490 4.178 0 50 EIAA CC(=O)c1cc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cs1 12438498 MZTHSTWAILSSCV-OAHLLOKOSA-N 347.505 4.416 0 50 EIAA Fc1ccc(CN[C@@H]2CCCc3nc(-c4ccccc4)ncc32)cc1 12701802 BGPUVJVVCFRTHY-LJQANCHMSA-N 333.410 4.450 0 50 EIAA Oc1ccc(-c2nccc(-c3ccc(Br)cc3)n2)cc1 13125628 MWHBZQCZMOXCRK-UHFFFAOYSA-N 327.181 4.279 0 50 EIAA O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ccco1 21525375 SVWLMWVZUPOLRC-HNNXBMFYSA-N 326.327 4.051 0 50 EIAA CC(C)CCC(=O)Nc1ccccc1-c1nc(-c2ccncc2)no1 22463172 YTBIQPGEPIKAJD-UHFFFAOYSA-N 336.395 4.173 0 50 EIAA CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 27640133 CTHZICXYLKQMKI-FOSBLDSVSA-N 336.472 4.280 0 50 EIAA in-vitro O=C(Nc1ccc(N2CCSCC2)c(F)c1)OCc1ccccc1 39138139 IFTVWPQLBCYBPN-UHFFFAOYSA-N 346.427 4.128 0 50 EIAA Cc1cc2cccc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c2o1 97742997 RFOTYBXHSATAHF-GOSISDBHSA-N 339.366 4.094 0 50 EIAA Cc1cnccc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1 121701965 VGZVMVSFMSPKMD-OAHLLOKOSA-N 327.453 4.036 0 50 EIAA CC(C)c1cccc2c1CCN([C@H](C)c1nc(-c3cccnc3)no1)C2 191892570 FCJSBTNZEZMQFN-OAHLLOKOSA-N 348.450 4.374 0 50 EIAA CC(=O)c1ccc(C(=O)N(CC(F)F)c2ccc(F)cc2)c(F)c1 408514802 HTVNPLCGVITGLE-UHFFFAOYSA-N 339.288 4.079 0 50 EIAA CCOc1ccccc1CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 584904382 WLKXQMWVHDLBJL-IFMALSPDSA-N 342.527 4.314 0 50 EIAA O=C1CC[C@@H](c2ccc(OCCCOc3ccc(Cl)cc3)cc2)N1 902785594 UETNKRBWPQYZGL-SFHVURJKSA-N 345.826 4.139 0 50 EIAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)n[nH]2)o1 1290744558 VYWLERHRKNHFIA-KBPBESRZSA-N 329.444 4.313 0 50 EIAA C[C@H](CN1CCCCCC1)NCc1ccc(C(F)(F)F)cc1F 1506399103 YRUOIVCDNZDEOH-CYBMUJFWSA-N 332.385 4.199 0 50 EIAA CCCCN(Cc1ccsc1)C(=O)c1cc(CC(C)C)nn1C 1506427722 ZJGFZRRMXGHBRE-UHFFFAOYSA-N 333.501 4.123 0 50 EIAA O=C([C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21)N1CCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 1775985416 SHWIZSUZPHWCJO-KMBCLYMLSA-N 347.462 4.032 0 50 EIAA CCCC[C@@H]1CN(c2ccc3cccc(OC)c3n2)C[C@H](C2CC2)O1 1875249915 JLJGFTATKZJWHT-IEBWSBKVSA-N 340.467 4.417 0 50 EIAA Cc1cc(CN2CCC(Cc3ccccc3C(=O)O)CC2)c(C)o1 1875270600 CYDIQAORIAPQSI-UHFFFAOYSA-N 327.424 4.049 0 50 EIAA CC(C)C[C@@H]1CC[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 1875356130 GUIDYJZSMZZRNZ-GOEBONIOSA-N 331.504 4.460 0 50 EIAA CSc1cc(-c2cccc([C@@H](O)Cn3ccnc3)c2)ccc1F 2325855698 LICHDEXXTQIRDJ-KRWDZBQOSA-N 328.412 4.145 0 50 EIAA CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 189942 WOEWZUVYAGJQOT-UHFFFAOYSA-N 348.276 4.404 0 50 EIAA biogenic Cc1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 387160 SNNJKUFKIVOEJM-UHFFFAOYSA-N 329.465 4.227 0 50 EIAA COc1cc(C=O)c(Br)cc1OCc1ccc(C)cc1 448899 OEFMEZNPKYBIKX-UHFFFAOYSA-N 335.197 4.158 0 50 EIAA COC(=O)c1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1 1234057 DBBNAKGYJXWIMM-UHFFFAOYSA-N 332.355 4.359 0 50 EIAA Brc1cccc(OCCCCSc2ncccn2)c1 2844390 WFQMLZYRNNQNED-UHFFFAOYSA-N 339.258 4.190 0 50 EIAA O=C(NCCSc1nc2ccccc2s1)c1cccc(Cl)c1 2948457 ZXGAXZKYMWCECP-UHFFFAOYSA-N 348.880 4.472 0 50 EIAA O=S1(=O)c2ccccc2N=NN1Cc1ccc(Cl)c(Cl)c1 4105272 YNXAVVKSGFKJBQ-UHFFFAOYSA-N 342.207 4.197 0 50 EIAA aggregator O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccnc1 4749737 UJNVZGBLFIZJQN-UHFFFAOYSA-N 339.464 4.258 0 50 EIAA CC1(C)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@]1(C)C(=O)O 4990521 VCVVCJOWADKOTC-QFYYESIMSA-N 344.238 4.459 0 50 EIAA Clc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1 19823828 HLIMUQIEGKOIML-WEVVVXLNSA-N 326.871 4.171 0 50 EIAA C[C@H](CNCc1ccccc1)C(O)(c1ccccc1)c1ccccc1 33874966 FMRUBXQQSIIGPL-LJQANCHMSA-N 331.459 4.348 0 50 EIAA Cc1ccccc1Cn1ccnc1-c1sc(N(C)C)nc1Cl 65373279 KTLVASQJKQNHDG-UHFFFAOYSA-N 332.860 4.083 0 50 EIAA CCc1ccc(-c2c(-c3ccccc3)ncn2CCCn2cncn2)o1 65375183 JLULQFFGOWABAM-UHFFFAOYSA-N 347.422 4.054 0 50 EIAA COc1ccc(-c2ccnc3c(-c4ccc(F)cc4)cnn23)cc1OC 71375605 UGUQVCNMGJHMFA-UHFFFAOYSA-N 349.365 4.220 0 50 EIAA CC(C)c1nccc(CN2CCC[C@H](COc3ccc(F)cc3)C2)n1 72141924 OQIAMWKSUQVCSU-INIZCTEOSA-N 343.446 4.030 0 50 EIAA Cc1ncsc1CCC(=O)N1CCCC[C@@H]1c1cccc(F)c1 77386147 ULRSYRIREAATKP-MRXNPFEDSA-N 332.444 4.277 0 50 EIAA CC[C@@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)n1C 82161791 VFSPPWMIIDHQSK-QGZVFWFLSA-N 333.435 4.101 0 50 EIAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@H](C)CCCC(C)(C)O 91563408 FASBJKQAJMDOJS-OAHLLOKOSA-N 344.499 4.082 0 50 EIAA Cc1cccc(N(C)C(=O)c2nc(-c3ccccc3)oc2C2CC2)n1 135241009 LRZGQZBXGPXMSL-UHFFFAOYSA-N 333.391 4.199 0 50 EIAA CN(Cc1cccc(Cl)c1)C(=O)NCCc1cc2ccccc2[nH]1 136733069 ZYTBUKIWZGOQTC-UHFFFAOYSA-N 341.842 4.205 0 50 EIAA COc1ccsc1C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 151822087 QWBXUFFSWRSCBS-UHFFFAOYSA-N 341.436 4.120 0 50 EIAA O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1occc1-c1ccccc1 155859049 SOQQFMSPZZBILA-FQEVSTJZSA-N 347.414 4.190 0 50 EIAA C[C@H](c1cc(Cl)ccc1Cl)N1CCC(NC(=O)C2CC2)CC1 178593368 BFNOBEGNAYHYPA-LLVKDONJSA-N 341.282 4.045 0 50 EIAA CCOC(=O)c1cnc2cc(Br)cc(C)c2c1Cl 215979758 XCGKKJFYBCAMLL-UHFFFAOYSA-N 328.593 4.136 0 50 EIAA CCCCN(Cc1ccncc1)C(=O)c1cc2ccc(C)cc2n1C 216499599 MFDNSBXJHGFUHQ-UHFFFAOYSA-N 335.451 4.324 0 50 EIAA CC(C)(C)C[C@@H](NC(=O)CCc1ccc(O)cc1)c1cccnc1 219390550 HPWXGTDORXRGRA-GOSISDBHSA-N 326.440 4.014 0 50 EIAA COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCC[C@H]2C)c(OC)c1 242302144 YPWKBTDVBFAZMU-OLMNPRSZSA-N 346.471 4.129 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2ccccc2)cs1 263525846 UAKUGYRBEPQKEY-UAGQMJEPSA-N 342.464 4.028 0 50 EIAA O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2ccccc2)CC1 299617039 IVFBKYLIRRLSIC-UHFFFAOYSA-N 342.483 4.271 0 50 EIAA CSc1cccc(CNC(=O)N(Cc2cccnc2)CC(C)C)c1 426567166 XEQINEROEJRQDJ-UHFFFAOYSA-N 343.496 4.171 0 50 EIAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2ccncc2C)cc1 426628207 JWHYEMMCOGOUSA-IBGZPJMESA-N 338.451 4.088 0 50 EIAA CCCCc1oc2ccccc2c1C(=O)N[C@H]1CCN(CC)[C@H](C)C1 2325863149 XNRYZSZJRSIHGX-CVEARBPZSA-N 342.483 4.378 0 50 EIAA CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 2182991 NAYOMJCDTZTNHB-UHFFFAOYSA-N 342.489 4.438 0 50 EIAA COC(=O)c1ccc(COC(=O)c2ccc(C(C)(C)C)cc2)cc1 2839813 VZRIQKWTHLJTFI-UHFFFAOYSA-N 326.392 4.128 0 50 EIAA Cc1csc(C(=O)O)c1NC(=O)c1c(Cl)cccc1Cl 4105324 FHFOOAWVOZGCQT-UHFFFAOYSA-N 330.192 4.314 0 50 EIAA O=C1C[C@@H](c2ccccc2)Cc2nc(Nc3ccc(F)cc3)ncc21 13369950 XLVOZQLTJWGIET-AWEZNQCLSA-N 333.366 4.272 0 50 EIAA C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 22116548 LKAJKIOFIWVMDJ-IQDVQEQVSA-N 328.500 4.118 0 50 EIAA CC[C@H](C)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F 67473212 GQKHGMDQIHYDTD-LBPRGKRZSA-N 334.366 4.205 0 50 EIAA c1ccc(Oc2ccc(Cn3ccnc3)cn2)c(CN2CCCCC2)c1 67871362 IXXASGYZZDESEV-UHFFFAOYSA-N 348.450 4.105 0 50 EIAA Cc1cc(CN2CCN(c3cccc(C(C)C)n3)CC2)sc1C 67879622 PDZQZBFOMSRPFV-UHFFFAOYSA-N 329.513 4.206 0 50 EIAA c1cnc2c([C@H]3c4nc[nH]c4CCN3CC3CCCC3)cccc2c1 67935478 RWKKWATYYYVNHO-NRFANRHFSA-N 332.451 4.096 0 50 EIAA COc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3cc(C)no3)oc2c1 92038790 GTZHXBXYHQMJAV-HNNXBMFYSA-N 340.379 4.024 0 50 EIAA CC(C)c1ncc(Cl)c(C(=O)N(c2ccccn2)C2CCCC2)n1 154466642 IIAYUSVSIGHLQJ-UHFFFAOYSA-N 344.846 4.238 0 50 EIAA c1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)CC3)=N2)cc1 214307232 ABUFHURHLVHRQG-ROUUACIJSA-N 332.403 4.107 0 50 EIAA Cc1ccc(SC2CCN(C(=O)CCc3cccnc3)CC2)cc1 252488324 IPDMMTCLOWZIKB-UHFFFAOYSA-N 340.492 4.106 0 50 EIAA O=C(Nc1nc(C2CCC2)cs1)N1CCC[C@H](C(F)(F)F)C1 282559832 ACZKFYXTEINFJL-JTQLQIEISA-N 333.379 4.217 0 50 EIAA CC[C@@H](C)n1nc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1C 408513853 WOGKAOIQBKFSMJ-SECBINFHSA-N 341.333 4.155 0 50 EIAA CN1CC[C@@H](CN(C)C(=O)c2ccc(-c3ccc4occc4c3)cc2)C1 426684482 NASUYZWTZOFIRP-MRXNPFEDSA-N 348.446 4.124 0 50 EIAA FC(F)(F)c1ccc(C2(CN[C@@H]3CCCn4nccc43)CC2)cc1 657982876 JPCOHXXRMCBTLE-OAHLLOKOSA-N 335.373 4.058 0 50 EIAA Cc1ccc(NC(C)(C)C(=O)N[C@@H](c2cccnc2)C(C)C)cc1 1506395878 BSDAJGJCBOXXPW-GOSISDBHSA-N 325.456 4.094 0 50 EIAA C[C@@H]1CCC2(CC2)N(C(=O)c2ccc(-c3ccccc3CN)cc2)C1 1875304722 RQTWZRJFSCVNJE-MRXNPFEDSA-N 334.463 4.217 0 50 EIAA C[C@H](NCc1cccc2c1cnn2C)c1ccc(-c2ccncc2)cc1 1875338710 IPPHLQOAGZTDHP-INIZCTEOSA-N 342.446 4.486 0 50 EIAA Cc1cccc(C(=O)N[C@@H](C)C(=O)c2ccc(Cl)cc2)c1Cl 1875354857 QVJACEACBJCNKT-NSHDSACASA-N 336.218 4.303 0 50 EIAA Cc1cc(CNC(=O)NC[C@H]2CCCc3ccccc32)c(C)s1 2325737967 BNYZFPQRDKCBGN-MRXNPFEDSA-N 328.481 4.284 0 50 EIAA C[C@@H](NC(=O)c1cncn1-c1ccccc1)[C@@H]1CCCc2ccccc21 2325854982 BZPNQEIPMWLLRY-APWZRJJASA-N 345.446 4.111 0 50 EIAA Cc1cc(Cl)ccc1-n1nnnc1-c1ccc(Br)cc1 245990 VGKSXWHPXFMGOW-UHFFFAOYSA-N 349.619 4.054 0 50 EIAA O=C(CCC(=O)OCc1ccccc1)Nc1cccc2ccccc12 271901 RRRKWXZESIBYIJ-UHFFFAOYSA-N 333.387 4.302 0 50 EIAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 1230500 CISITBRPEMDNKG-SNVBAGLBSA-N 330.236 4.033 0 50 EIAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2=O 1432751 MVBLPGQDJVQIJW-SJORKVTESA-N 339.357 4.429 0 50 EIAA S=C(Nc1cnn(Cc2ccccc2Cl)c1)NC1CCCCC1 2782512 OVVFETRCMSUBLH-UHFFFAOYSA-N 348.903 4.204 0 50 EIAA Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 2879848 HPNJVECNLJPBJK-GFCCVEGCSA-N 334.213 4.164 0 50 EIAA COc1cc(NC(=O)/C(C)=C/c2ccccc2)c(OC)cc1Cl 4591141 GBECFHTWBALUEL-FMIVXFBMSA-N 331.799 4.399 0 50 EIAA O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)C1CCCCC1 10778803 QMJHCLZYJFIQHA-UHFFFAOYSA-N 348.874 4.485 0 50 EIAA c1ccc2c(CN3CC[C@@]4(CCCN(CC5CCC5)C4)C3)ccnc2c1 11817407 AFCZXJWYBNYVIN-HSZRJFAPSA-N 349.522 4.323 0 50 EIAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NCc1cccs1 14956908 FAMKRRMBEBUCPX-OAHLLOKOSA-N 344.528 4.468 0 50 EIAA CCC1(CC)Cc2cc(OC)c(OC)cc2[C@H](c2ccccc2)N1 19205344 OCNMIKHELOBPHD-FQEVSTJZSA-N 325.452 4.498 0 50 EIAA biogenic CC(C)(C)OC(=O)N1CCC(Sc2ncnc3ccccc23)CC1 38986195 PGYUPUNGKIUPSZ-UHFFFAOYSA-N 345.468 4.121 0 50 EIAA O=C1c2cccnc2CN1CCC(c1ccccc1)c1ccccc1 65384897 ZYXUTQYSKMLNSU-UHFFFAOYSA-N 328.415 4.260 0 50 EIAA O=C(O)c1ccccc1CN1CCC[C@H](c2ccc(Cl)cc2)C1 67896197 VTUCDJUXVXXOHF-HNNXBMFYSA-N 329.827 4.418 0 50 EIAA Cn1cnnc1Sc1ccc(-c2nccn2C2CCCCCC2)o1 67934462 NJYBCAUGAPADBD-UHFFFAOYSA-N 343.456 4.318 0 50 EIAA Cc1cccc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)n1 71771155 HHCDGDYZBBZMGA-OAHLLOKOSA-N 344.405 4.153 0 50 EIAA C[C@H](c1ccncn1)n1ccnc1-c1nc(-c2ccccc2)cs1 72158416 PDDSQRFGAMTGHT-CYBMUJFWSA-N 333.420 4.073 0 50 EIAA CCCn1cc(Cn2ccnc2-c2c(F)ccc(Cl)c2F)cn1 77458010 SZRRLRKMULVWAV-UHFFFAOYSA-N 336.773 4.137 0 50 EIAA CC(C)c1nc(CN(C)C(=O)Nc2ccnn2[C@@H](C)C2CC2)cs1 96135706 KATCDSXTNAGXQG-LBPRGKRZSA-N 347.488 4.098 0 50 EIAA Clc1cccc2ccc(CN3CCC[C@@H](c4ccncn4)C3)nc12 97694971 JRBDSNAVCJZIBC-OAHLLOKOSA-N 338.842 4.058 0 50 EIAA CC(C)c1cccc(CNc2cccc(OC[C@H]3CCCO3)c2)n1 120754435 ZGMSIMKLJMTPDG-LJQANCHMSA-N 326.440 4.375 0 50 EIAA CN(Cc1cc(-c2ccco2)on1)[C@H]1CCCN(c2ccccc2)C1 177794862 UNMIUXRVZJUSKW-SFHVURJKSA-N 337.423 4.035 0 50 EIAA Clc1cccc([C@H]2CCN(Cc3cnc(N4CCCC4)s3)C2)c1 216459871 VMQCEJRXCPVXPR-HNNXBMFYSA-N 347.915 4.386 0 50 EIAA COCC1(Cc2noc([C@@H]3C[C@H]3c3c(F)cccc3Cl)n2)CC1 225600243 TUEQFEQSUDWWDQ-GHMZBOCLSA-N 336.794 4.102 0 50 EIAA CC[C@H](NC(=O)N1CCCC[C@H]1c1nccn1CC)c1cccs1 239637131 BJADIHHUXHXIOK-GJZGRUSLSA-N 346.500 4.352 0 50 EIAA COc1ccc2cc(CNC[C@H](c3ccnn3C)C(C)C)ccc2c1 252509010 YAUMRZDCGGOHPU-FQEVSTJZSA-N 337.467 4.111 0 50 EIAA CCCc1nc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)co1 289161687 PMWLRNRHLWDXRK-NWDGAFQWSA-N 331.322 4.226 0 50 EIAA COc1cc(Br)ccc1OCCOCc1ccccc1 309711489 JKDSDQCVYRYUTK-UHFFFAOYSA-N 337.213 4.053 0 50 EIAA CCN(C[C@H]1CCCCO1)C(=O)NCc1ccc(Cl)c(Cl)c1 426574746 OIKTXXQLNMFUJO-CYBMUJFWSA-N 345.270 4.094 0 50 EIAA Cc1ccc(CN(C(=O)NCc2cscn2)C2CCCC2)s1 534667879 HDSHGFWEJUHWFH-UHFFFAOYSA-N 335.498 4.167 0 50 EIAA Cc1ccc(NC(=O)C[C@]2(C)NN=C(c3ccccc3)S2)c(C)c1 670426964 ADTQPHHVTKNGDR-LJQANCHMSA-N 339.464 4.046 0 50 EIAA CC[C@@H](NC(=O)N(CCCO)Cc1ccc(C)cc1)c1ccccc1 952986552 JHMVOSIUELIDHS-HXUWFJFHSA-N 340.467 4.040 0 50 EIAA C[C@@H](C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccc2ccccc2c1 1300543264 OOJCDUNJYGEFDY-CQSZACIVSA-N 342.398 4.424 0 50 EIAA CCCNC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)cc1 1772706697 LFUIUFXEMAFBFC-UHFFFAOYSA-N 339.313 4.098 0 50 EIAA C[C@@H]1CCCC[C@@H]1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 1775971314 NFPIWQGYLSUJCJ-HLIPFELVSA-N 336.479 4.324 0 50 EIAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccccc1 175990 YMMMLBQEAZLFRV-UHFFFAOYSA-N 330.343 4.453 0 50 EIAA biogenic COc1ccc([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2)cc1OC 519883 VPRHXMASMQZGOF-HUUCEWRRSA-N 327.424 4.075 0 50 EIAA CCOc1ccc(N2C(=O)S/C(=C\c3cccc(O)c3)C2=O)cc1 1207621 UEBUPJOSAJDGCN-WJDWOHSUSA-N 341.388 4.032 0 50 EIAA OCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 1796853 YMJMFVBYCYLFJZ-UHFFFAOYSA-N 345.402 4.351 0 50 EIAA COc1ccc(OC)c(-c2cc(C(=O)O)c3ccc(C)c(C)c3n2)c1 3756370 GNHPJDFMEXUAOP-UHFFFAOYSA-N 337.375 4.234 0 50 EIAA Nc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc2ncccc12 8788337 AMPGROBZYRDLHG-UHFFFAOYSA-N 338.219 4.438 0 50 EIAA Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1cccs1)C2 9096278 UGTTZAKHMFHZCR-LBPRGKRZSA-N 348.431 4.031 0 50 EIAA CC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 10461579 LQURLZWHEPKPGC-LJQANCHMSA-N 336.435 4.344 0 50 EIAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)cc1 12308737 UXBIFDGIJPQITP-JNCYCUAHSA-N 349.478 4.321 0 50 EIAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 12308746 ZZMALWGNQHXQDP-MRXNPFEDSA-N 328.843 4.138 0 50 EIAA Clc1ccc(CCNC2CCN(CCc3ccccc3)CC2)cc1 23283237 HUAFUIWPRMNURT-UHFFFAOYSA-N 342.914 4.179 0 50 EIAA FC(F)(F)c1cnc(Cl)c(Cl)c1I 40566574 PMFWWAIDSTWATK-UHFFFAOYSA-N 341.885 4.012 0 50 EIAA C[C@@H](c1cncs1)N(C)C(=O)c1csc(Cc2ccccc2)n1 82108188 QVAHBQLEULHNBC-LBPRGKRZSA-N 343.477 4.024 0 50 EIAA CCC(N)(CC)CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 170677168 VSIJCGOCCKPABT-UHFFFAOYSA-N 348.393 4.004 0 50 EIAA O=C([C@H]1CCCc2c(O)cccc21)N(Cc1ccccc1F)C1CC1 190041813 IXZFGJDYEDKZAY-SFHVURJKSA-N 339.410 4.142 0 50 EIAA O=C(N[C@@H]1CCCc2sccc21)c1csc(C(F)(F)F)n1 193838400 AUTXDGPJRJTKBN-MRVPVSSYSA-N 332.372 4.031 0 50 EIAA CCc1ccsc1C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273295324 LWMKZGRFQSLXEV-SJORKVTESA-N 347.455 4.442 0 50 EIAA Cc1cc(F)ccc1C1CCN(C(=O)[C@@H]2CCC[C@@H](C(=N)O)C2)CC1 332400790 VKMBAKZVSFWCEY-HZPDHXFCSA-N 346.446 4.182 0 50 EIAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)ccc1C 408555236 FNXWNZAQBCKAFK-UHFFFAOYSA-N 339.844 4.156 0 50 EIAA CN1CCC[C@H]1CSc1nnc(-c2ccc3ccccc3c2)o1 916709614 LOBBYTUPQYKOAD-INIZCTEOSA-N 325.437 4.076 0 50 EIAA CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2cncn2CC)c1 952995014 AGQUZCJEMJQRPF-QGZVFWFLSA-N 342.443 4.061 0 50 EIAA C[C@H]1c2ccc(O)cc2CCN1C[C@H](O)Cc1ccc2ccccc2c1 1875340687 MZVRHCQZWUAXDJ-KSFYIVLOSA-N 347.458 4.068 0 50 EIAA O=C(c1ccc(NCc2ccnc3[nH]ccc23)cc1)N1CCCCCC1 2325719778 KRPGDWODUYVGIN-UHFFFAOYSA-N 348.450 4.191 0 50 EIAA CC[C@@H](C)N=c1[nH]nc(S[C@@H](C)C(=O)c2cc(C)cc(C)c2)s1 2325898936 FQXXYBDNDTZIDQ-OLZOCXBDSA-N 349.525 4.151 0 50 EIAA CCCc1nc(N(C)C)c2sc(=S)n(-c3ccccc3)c2n1 118006 ZOMRMNZFLQIDPK-UHFFFAOYSA-N 330.482 4.230 0 50 EIAA O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 356400 PQRWHFANNATVCD-UHFFFAOYSA-N 345.398 4.306 0 50 EIAA CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 374963 OKMIEDFKOZIFKX-LBPRGKRZSA-N 333.863 4.345 0 50 EIAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 393491 ORHVEVGCWUVFNC-QZTJIDSGSA-N 335.488 4.371 0 50 EIAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccncc2)c2ccccc2)cc1 482462 CETSBWLJAFNWFN-FQEVSTJZSA-N 331.371 4.171 0 50 EIAA CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(C)cc1 499211 OOODCMGCICLWGO-UHFFFAOYSA-N 334.371 4.205 0 50 EIAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)c(C)c1 2883269 LAMRCTJNQMMBRN-HNNXBMFYSA-N 344.414 4.444 0 50 EIAA O=C(NCc1nc2ccccc2[nH]1)c1sc2ccccc2c1Cl 4625438 GGLFDEJGUQYZQG-UHFFFAOYSA-N 341.823 4.361 0 50 EIAA Cc1c(C)n(-c2cccnc2)c2ncnc(NCc3ccccc3)c12 6669522 IMOKXUWRWNWSAY-UHFFFAOYSA-N 329.407 4.044 0 50 EIAA COc1ccc(CCC(=O)N(Cc2ccccc2)c2ccccn2)cc1 9426227 SHUMLNKGYHRZOC-UHFFFAOYSA-N 346.430 4.256 0 50 EIAA O=C(Nc1ccc(Br)cn1)c1cc2c(s1)CCCC2 13746832 ULADQBGOQUZNRM-UHFFFAOYSA-N 337.242 4.037 0 50 EIAA COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1 21719080 HCWAPAJDGAHYMM-SFHVURJKSA-N 342.439 4.103 0 50 EIAA Cc1cnccc1Cn1ccc(-c2cccc(-c3ccccn3)c2)n1 23431578 YZHGELLXBKGPEB-UHFFFAOYSA-N 326.403 4.364 0 50 EIAA Clc1ccc(COc2ccc(-c3ccnc4ncnn34)cc2)cc1 39404037 JVVYHDHGMWABCW-UHFFFAOYSA-N 336.782 4.024 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)[C@@H](C)c3cncs3)c(C)c2c1 91321664 LTQZCXSZROWHBA-ZDUSSCGKSA-N 327.453 4.383 0 50 EIAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1 96131484 KXYBVDRKNAEUNE-CQSZACIVSA-N 330.350 4.128 0 50 EIAA CCOc1ccc(Cl)cc1-c1cc(C(=O)N2CCCC2)ccn1 96132133 SOUADEBXPVINTR-UHFFFAOYSA-N 330.815 4.037 0 50 EIAA O=C(Nc1cnn(-c2ccccc2)c1)c1cc(Cl)ccc1Cl 122372248 XSNFTASMBBAFAX-UHFFFAOYSA-N 332.190 4.431 0 50 EIAA O=C(O)CCCN1CCC(Cc2cc(Cl)ccc2Cl)CC1 177064615 MQBAAANDPQHFRF-UHFFFAOYSA-N 330.255 4.113 0 50 EIAA O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2ccncc2)CC1 192288114 WRJWRQHEZNDIEF-UHFFFAOYSA-N 349.459 4.225 0 50 EIAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(Cl)c(Cl)c1 250853824 FIAXFZJVOJRGJM-GLQYFDAESA-N 328.239 4.211 0 50 EIAA C[C@@H](Oc1ccc(C(=O)NCc2cccnc2)cc1)c1ccccc1 252484537 FYVYMIBVRVJKAM-MRXNPFEDSA-N 332.403 4.152 0 50 EIAA FC(F)(F)Cn1ccnc1CN1C[C@H]2CCCC[C@]21c1ccccc1 368550141 WOMCPDILJKZBGI-AEFFLSMTSA-N 349.400 4.347 0 50 EIAA Cc1ccc(NC(=O)N2CC[C@@H](OCc3ccccc3)C2)cc1Cl 1202804695 MDVNLTIXEMJTNK-QGZVFWFLSA-N 344.842 4.471 0 50 EIAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C=C(C)C 145651 CFCZUPYLHRXFHD-UHFFFAOYSA-N 329.421 4.497 0 50 EIAA COc1cccc2cc(C(=O)Nc3cccc4ccccc34)c(=O)oc12 317787 JIHSQRRAIFLNJG-UHFFFAOYSA-N 345.354 4.207 0 50 EIAA COc1ccc(/C=C/C(=O)N(Cc2ccccc2)C(C)C)cc1OC 465675 XHIBFJODIAVRPD-ACCUITESSA-N 339.435 4.154 0 50 EIAA O=C(Nc1ccc(Cl)cn1)c1ccc(COCC(F)(F)F)cc1 468504 QRCUSDFZOURDME-UHFFFAOYSA-N 344.720 4.066 0 50 EIAA Cc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 619916 YALKBLTUCABUDG-UHFFFAOYSA-N 329.812 4.419 0 50 EIAA COc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)[nH]c2c1 994883 BJZLYOXYHXRRDF-UHFFFAOYSA-N 332.812 4.200 0 50 EIAA CCCOc1cccc(C(=O)Nc2ccc(NC(=O)CC)cc2)c1 3002628 ICWNXWAJJJAODZ-UHFFFAOYSA-N 326.396 4.076 0 50 EIAA CC(=O)O[C@H](C)OC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 3872600 ALIVXCSEERJYHU-OCCSQVGLSA-N 330.355 4.049 0 50 EIAA in-man CN1C[C@@H](C(=O)c2ccc(F)cc2)[C@@H](c2c(F)cccc2Cl)C1 5719744 OAJSJXJVFWZAFZ-UONOGXRCSA-N 335.781 4.146 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(Cl)c1 6697397 UDGCPHQTKPCKLU-UHFFFAOYSA-N 341.798 4.052 0 50 EIAA O=C(NC1CCCCC1)c1cccnc1-c1nc2ccccc2s1 6703180 BGPLBPCGZALBED-UHFFFAOYSA-N 337.448 4.421 0 50 EIAA CC(C)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3nc4ccccc4n32)cc1 9089867 YVZUNBSKZMEMME-KRWDZBQOSA-N 348.406 4.331 0 50 EIAA COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 36620495 FSBYAUNUMKLGHL-LJQANCHMSA-N 327.399 4.131 0 50 EIAA CCC(CC)n1ncc(C)c1NC(=O)[C@@H](C)n1ccnc1C(C)C 65432322 SPRNWAGJECDKAX-CQSZACIVSA-N 331.464 4.072 0 50 EIAA COc1cc2c(cc1O)NC(=O)C[C@H]2c1oc2ccc(C)cc2c1C 65526073 MUDHBVVRSSCPAH-CQSZACIVSA-N 337.375 4.238 0 50 EIAA Clc1cc(CN2CCCC2)ccc1Oc1ccc2c(c1)OCCO2 67642181 MXZZJEKVHKCELH-UHFFFAOYSA-N 345.826 4.499 0 50 EIAA COc1ccc(Oc2ccc(CN3CCCC3)c(OC)c2)cc1C 67677286 MGSQOQKFUXEJHJ-UHFFFAOYSA-N 327.424 4.400 0 50 EIAA CCOc1ccccc1NC(=O)c1ccc(Oc2ccc(C)nn2)cc1 72441347 BGTALEJVWUWOAF-UHFFFAOYSA-N 349.390 4.228 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N(C)[C@@H](C)c3cncs3)[nH]c12 91382300 PWSJUZCNZSITTP-ZDUSSCGKSA-N 327.453 4.383 0 50 EIAA CN(Cc1cc2ccccc2o1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 156749758 SUPITEQLZUWQNY-MRXNPFEDSA-N 342.439 4.066 0 50 EIAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1ccccn1 216283706 AVXUPEMFRQXUAQ-QGZVFWFLSA-N 348.368 4.397 0 50 EIAA CCc1cccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c1 241897334 TXSUTOALBIANHH-UHFFFAOYSA-N 337.467 4.035 0 50 EIAA COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 245238418 NPIJXUGEZHABCE-SIGLWIIPSA-N 345.489 4.097 0 50 EIAA aggregator Cc1cnc(-c2noc([C@H]3CC(C)(C)Oc4ccccc43)n2)s1 333903078 ZPSNMLQTIWKXLY-LBPRGKRZSA-N 327.409 4.195 0 50 EIAA c1cncc([C@@H]2CCCN2Cc2cc(CN3CCCCC3)cs2)c1 820414276 ZZWOYYBUIOKKNV-FQEVSTJZSA-N 341.524 4.466 0 50 EIAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cc4ccccc4s3)C[C@H]2C1 1529126422 JFDXJTCXBGQFHC-WNKDZCFJSA-N 342.508 4.092 0 50 EIAA CCN1CCC[C@@H](n2ccnc2-c2ccc(OC(F)(F)F)cc2)C1 1857668398 GUIHCPOJWXCCKS-CQSZACIVSA-N 339.361 4.106 0 50 EIAA CN1CCC[C@H]1CCn1ccnc1-c1nc(-c2ccccc2)cs1 1857702725 AXYHRBCEMQKJIV-INIZCTEOSA-N 338.480 4.158 0 50 EIAA Cc1cc(Cl)cc(-c2ccnn2C2CCC2)c1OC1CCNCC1 1875330229 TVZCBLWGXAHIKQ-UHFFFAOYSA-N 345.874 4.368 0 50 EIAA C[C@H]1c2ccc(O)cc2CCN1C[C@@H](O)Cc1ccc2ccccc2c1 1875340686 MZVRHCQZWUAXDJ-AOMKIAJQSA-N 347.458 4.068 0 50 EIAA COc1ccc(Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1 2325817833 SFSIMQPEJKGJQT-UHFFFAOYSA-N 342.398 4.120 0 50 EIAA OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 6788 LLBLNMUONVVVPG-UHFFFAOYSA-N 340.854 4.305 0 50 EIAA biogenic,in-vivo CCOc1ccc([C@@H]2NCCc3cc(OCC)c(OCC)cc32)cc1 34503 BITGIXSXFHMOBA-NRFANRHFSA-N 341.451 4.118 0 50 EIAA biogenic C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 36287 ANKXDSLWSFYJSK-UZUQRXQVSA-N 343.426 4.291 0 50 EIAA CCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)Nc1ccccc1-2 86186 KUUKELOXRFAZKV-HNNXBMFYSA-N 340.408 4.055 0 50 EIAA COc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1 195082 HOIVZPBETIIUIY-UHFFFAOYSA-N 328.375 4.005 0 50 EIAA CCc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 342122 PPDACTUUDBXMLL-UHFFFAOYSA-N 342.464 4.163 0 50 EIAA Fc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 407845 IXNPJPYVTDJMHQ-HZPDHXFCSA-N 328.778 4.217 0 50 EIAA CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(CC)cc1 462849 MIVOECQNGVVODM-UHFFFAOYSA-N 340.423 4.005 0 50 EIAA O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(=O)c2ccccc2o1 2812991 JTRICOHOUSVYPS-UHFFFAOYSA-N 334.158 4.352 0 50 EIAA COc1ccc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)cc1 4601975 RSQIRBKRTDQHKJ-OUKQBFOZSA-N 344.370 4.158 0 50 EIAA CC(C)(C)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1 4844985 MSHPMGRPGMCJRX-UHFFFAOYSA-N 340.492 4.136 0 50 EIAA COc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccccn1 28292521 RXGXFAICDHCYQA-UHFFFAOYSA-N 336.366 4.076 0 50 EIAA COc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1OC 36620551 XGQNSTGSAHRMND-KRWDZBQOSA-N 340.423 4.381 0 50 EIAA O=C(c1ccc(F)cc1F)N1CCC[C@H](COc2ccc(F)cc2)C1 77505959 MUWZNOCKQSIBJK-ZDUSSCGKSA-N 349.352 4.035 0 50 EIAA Clc1cncc(Cl)c1CN1CCCC[C@H]1CCn1ccnc1 77555972 HJAPRLGNWDPINW-ZDUSSCGKSA-N 339.270 4.030 0 50 EIAA CCCc1cc(C(=O)NCC[C@@H](c2ccccc2)c2ccco2)no1 82096728 UVMJENKCPQXRTL-KRWDZBQOSA-N 338.407 4.172 0 50 EIAA Cc1ccccc1CCC(=O)N1CCC[C@@H](c2nccn2C(C)C)C1 95497531 HGHAKWNDUSXUIQ-LJQANCHMSA-N 339.483 4.111 0 50 EIAA CCN(C(=O)c1ccc(Br)c(Cl)c1)c1ccncc1 155351869 ASOYUOKVJYOEKS-UHFFFAOYSA-N 339.620 4.164 0 50 EIAA O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2ccccc2)c1 217983543 OCZJMXIYAKIQRF-UHFFFAOYSA-N 331.371 4.377 0 50 EIAA NC1(c2noc([C@@H]3C[C@@H]3c3cccc(C(F)(F)F)c3)n2)CCCC1 261878218 WAJPPUOGOYWNQJ-CHWSQXEVSA-N 337.345 4.088 0 50 EIAA CC(C)c1csc([C@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 263576956 QYZYNHFVBZWFMB-INIZCTEOSA-N 344.480 4.344 0 50 EIAA C[C@H](c1cccc(NCc2cnc3ccccc3c2)c1)N1CCOCC1 269307928 HKWKYOWBRQVYDI-QGZVFWFLSA-N 347.462 4.240 0 50 EIAA C[C@@H](CC1CCCCC1)C(=O)NCCCc1nc2ccccc2[nH]1 303519939 FAHLSUVNAZZNRF-HNNXBMFYSA-N 327.472 4.218 0 50 EIAA O=C(c1cnc2c(F)cccc2c1)N1CC[C@H](c2ccccc2F)C1 340032516 GGGKJOBYIRIOTA-AWEZNQCLSA-N 338.357 4.143 0 50 EIAA CC1(C)[C@H](C(F)(F)F)CCN1Cc1c(C(=O)O)oc2ccccc12 392281686 SSRXEUKVPBOVIT-CYBMUJFWSA-N 341.329 4.294 0 50 EIAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NC1(C)CCCCC1 534629932 IAIHZHGZXHRFQV-UHFFFAOYSA-N 344.434 4.080 0 50 EIAA Cc1cc(C)n(CCCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)n1 820996374 JQHYGMLLHRZFGJ-KRWDZBQOSA-N 341.499 4.153 0 50 EIAA Cc1ccc(C(F)(F)F)cc1CN(CCO)Cc1cccs1 1139885089 KIOMNBPMJMPUNF-UHFFFAOYSA-N 329.387 4.070 0 50 EIAA CCC[C@@H](C)c1nc(-c2cc3ccc(F)cc3[nH]2)n([C@H]2CCOC2)n1 1875349133 NVRDGVOSXHJADT-DOMZBBRYSA-N 342.418 4.431 0 50 EIAA CCC(CC)n1nc(-c2ccncc2)nc1[C@@H]1CCN2CCC[C@H]2C1 2325849234 JFUYGZJKMWSMOF-AEFFLSMTSA-N 339.487 4.043 0 50 EIAA COc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 309383 PNQADVLORNMEOS-UHFFFAOYSA-N 339.416 4.163 0 50 EIAA COc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 389992 XZBURKNRLQJENK-UHFFFAOYSA-N 331.371 4.179 0 50 EIAA Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)c(Br)c1 405627 WLFNOSLFAFZPFJ-GFCCVEGCSA-N 334.213 4.164 0 50 EIAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 441413 YDIAUPPRRGGREU-QHHAFSJGSA-N 336.174 4.374 0 50 EIAA Cc1ccc(-c2nnc(COC(=O)c3ccc(Cl)cc3)o2)cc1 4841152 WHTNUGOKCJREGM-UHFFFAOYSA-N 328.755 4.055 0 50 EIAA O=C1C[C@@H](c2ccccc2)Cc2c1cnn2-c1nc2ccccc2s1 5486689 MDBVMARSIGFDTH-AWEZNQCLSA-N 345.427 4.395 0 50 EIAA CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 8860450 VNYSSYRCGWBHLG-UKNWISKWSA-N 336.472 4.158 0 50 EIAA endogenous,in-man O=C(c1cc(F)ccc1F)[C@@H]1CCCN(CCCc2ccccc2)C1 11997725 NCXJWJAGWMFLMO-QGZVFWFLSA-N 343.417 4.492 0 50 EIAA COc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cn1 13496751 MQIHFVYPNFRVHC-UHFFFAOYSA-N 328.224 4.206 0 50 EIAA CC(C)(C)C(=O)Nc1ccccc1-c1nc(-c2cccs2)no1 22463006 GDIHKCOBHZQBFD-UHFFFAOYSA-N 327.409 4.450 0 50 EIAA Fc1cccc(CCn2ccc(-c3cccc(-c4cnccn4)c3)n2)c1 23251460 ZQUXTMLULUYRJL-UHFFFAOYSA-N 344.393 4.389 0 50 EIAA C=CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 38476942 RTBWWWVNZWFNBV-SFHVURJKSA-N 331.456 4.105 0 50 EIAA O=C1C[C@@H](c2ccsc2)c2cnn(Cc3ccccc3Cl)c2N1 65428855 IHBWAACRQLFANZ-ZDUSSCGKSA-N 343.839 4.120 0 50 EIAA CC(C)n1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)cn1 65451497 OYZXYVDVGNBQCP-SFHVURJKSA-N 336.439 4.174 0 50 EIAA COc1cccc([C@H]2CCN2C(=O)c2sc(C(C)C)nc2C)c1 92028866 CUEWEKSZSGGLBM-OAHLLOKOSA-N 330.453 4.171 0 50 EIAA Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c1Cl 95372467 NYKDPQBHLPAHNP-OAHLLOKOSA-N 345.874 4.446 0 50 EIAA CCCO[C@H]1CCCN(C(=O)Nc2cccc(-n3cccc3)c2C)C1 96148724 NXUZYDKJXHHCGO-KRWDZBQOSA-N 341.455 4.209 0 50 EIAA O=C(/C=C/c1ccco1)Nc1c(Cl)cc(F)cc1Br 170591103 KPALVYSKCLZRSO-ONEGZZNKSA-N 344.567 4.487 0 50 EIAA CN(C(=O)c1ccc2ncoc2c1)c1ccc(Br)cc1F 252484213 FRTAPXIHJIACDL-UHFFFAOYSA-N 349.159 4.006 0 50 EIAA O=C(O)c1ccc(CCC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1 262726546 HIVJOWWBPDLJJZ-YNEJIKTKSA-N 349.430 4.022 0 50 EIAA COc1cccc([C@@H](C)NC(=O)c2ccc3nc(C)sc3c2)c1 345677379 PWWPQBGVZZTWCB-LLVKDONJSA-N 326.421 4.104 0 50 EIAA OC[C@@H]1C[C@H](N[C@H]2CCCOc3cc4c(cc32)CCC4)c2ccccc21 364924601 BAANNAJBSCDOKI-HSQYWUDLSA-N 349.474 4.200 0 50 EIAA CC[C@H](Cn1ccnc1-c1cnc(-c2ccccc2)s1)N(C)C 1857699068 GNLJXAVWDLROIJ-OAHLLOKOSA-N 326.469 4.014 0 50 EIAA CO[C@@H]1C[C@@H]2C[C@H](NCC3(c4ccccc4)CC(F)(F)C3)C[C@@H]2C1 1875392693 OSVVBNRIWISDKU-LVYXFOGZSA-N 335.438 4.147 0 50 EIAA CCCCc1oc2ccccc2c1C(=O)NCC(C)(C)n1ccnc1 2325863013 QJYOZNAEVXDRNX-UHFFFAOYSA-N 339.439 4.137 0 50 EIAA O=c1c2ccccc2nc(SCc2cccnc2)n1-c1ccccc1 24779 IHUQUOKPVJFIAE-UHFFFAOYSA-N 345.427 4.073 0 50 EIAA O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 168812 JXPBXLYFTNHGFE-UHFFFAOYSA-N 339.178 4.044 0 50 EIAA CCOC(=O)c1sc(=S)n(-c2cccc3ccccc23)c1N 224932 KAJXFVMBPNLMQC-UHFFFAOYSA-N 330.434 4.180 0 50 EIAA CCc1c(C)sc(NC(=O)Nc2ccc(Cl)cc2)c1C(N)=O 441738 JNKODYOULANAOV-UHFFFAOYSA-N 337.832 4.015 0 50 EIAA CN1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 519487 MXYUKLILVYORSK-ACRUOGEOSA-N 337.463 4.236 0 50 EIAA biogenic,in-vitro Cc1ccc(CSCCNC(=O)CSc2ccccc2)cc1 2170337 XORVITSBTREGFM-UHFFFAOYSA-N 331.506 4.137 0 50 EIAA O[C@@H](CN1CCCCC1)Cn1c2ccccc2c2cc(Cl)ccc21 2227921 GWZRVROTTFACQU-INIZCTEOSA-N 342.870 4.295 0 50 EIAA Cc1cc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc(C)c1Cl 2674786 ZCYYUSJJSWGWPN-NVXWUHKLSA-N 333.859 4.047 0 50 EIAA COc1cc(C=O)ccc1OCCOc1cc(C)ccc1C(C)C 2994692 UZSZTAQBJMKUSE-UHFFFAOYSA-N 328.408 4.397 0 50 EIAA COc1ccc(CN(C(=O)c2cccs2)c2ccc(O)cc2)cc1 4487116 IMFLAGMTQRPIOF-UHFFFAOYSA-N 339.416 4.309 0 50 EIAA CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 9259250 XFCQIQRDXMGMLW-UHFFFAOYSA-N 340.423 4.322 0 50 EIAA CCOC(=O)c1ccc(NC(=S)Nc2cc(C)ccc2C)cc1 13788752 HOLDQVUPBCENAB-UHFFFAOYSA-N 328.437 4.289 0 50 EIAA O=C(c1ccc(NC2CC2)nc1)N1CCC[C@@H](c2ccccc2)CC1 20295236 NLOZAAUDAIDTQA-QGZVFWFLSA-N 335.451 4.066 0 50 EIAA Fc1ccc(-c2n[nH]c3c2CN(CCCC(F)(F)F)CC3)cc1F 20909395 DACUKDSULPKSEJ-UHFFFAOYSA-N 345.315 4.056 0 50 EIAA Cc1nn(-c2cccc(Cl)n2)c(C(F)(F)F)c1Br 38537387 DLZAPWLLSCNBQV-UHFFFAOYSA-N 340.530 4.010 0 50 EIAA in-vitro O=C(NCCc1cc2ccccc2o1)c1ccccc1C(F)(F)F 123817296 XLQCHNRLIXOBGE-UHFFFAOYSA-N 333.309 4.424 0 50 EIAA Clc1cnccc1Sc1nc(C2CC2)n(-c2ccccc2)n1 170603383 GKYWBHOQMDOZDW-UHFFFAOYSA-N 328.828 4.344 0 50 EIAA CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)c(Cl)[nH]2)C12CCCC2 170637046 QMAJNZKPUZRPQY-QWHCGFSZSA-N 345.270 4.131 0 50 EIAA CC(C)c1nc2ccc(NC(=O)N[C@H]3CCCOCC3)cc2s1 180449810 SYLSLVISKIZEOZ-LBPRGKRZSA-N 333.457 4.110 0 50 EIAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(Cl)s1 194693411 YRXQIAWWJLJHDX-UHFFFAOYSA-N 348.855 4.198 0 50 EIAA COc1c(OCc2ccccc2)ccc([C@H](O)NC(C)(C)C)c1Cl 214474606 UTTFFDDKYSSEND-SFHVURJKSA-N 349.858 4.307 0 50 EIAA COCC1(N(C)C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 299765937 ZZZRLFGKDBYDIE-UHFFFAOYSA-N 344.386 4.261 0 50 EIAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccnn1C1CCCC1 449251580 QILAPTOKVALPIB-CQSZACIVSA-N 329.492 4.109 0 50 EIAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(C3CC3)nn2)o1 676524958 ZAIYYLHFCOMGNG-INIZCTEOSA-N 340.427 4.405 0 50 EIAA Clc1nccc2cc(CN3CCC(c4ncc[nH]4)CC3)sc12 893979520 BRHHSWJHVTZXBK-UHFFFAOYSA-N 332.860 4.052 0 50 EIAA CCOP(=O)(CC(=O)N[C@H](c1cccs1)C(C)(C)C)OCC 1776004535 UGKIHSUCWKXRNY-CQSZACIVSA-N 347.417 4.218 0 50 EIAA CCc1ccc(C(=O)CCC(=O)OCCc2ncc(C)cc2C)cc1 2325862285 OUSAHTOYIHYNBM-UHFFFAOYSA-N 339.435 4.010 0 50 EIAA Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2[nH]1 54215 QYMLQHHJXIPWOU-UHFFFAOYSA-N 331.828 4.256 0 50 EIAA O=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(Br)c1 145112 OLCBTPLTHVCQDO-UHFFFAOYSA-N 346.011 4.403 0 50 EIAA O=Cc1cn(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc12 336409 TXDGJEWIQCKMDV-UHFFFAOYSA-N 347.201 4.399 0 50 EIAA Clc1ccc(-n2ncc3c(NCc4ccccc4)ncnc32)cc1 425605 MYQLEZIRJKUQME-UHFFFAOYSA-N 335.798 4.081 0 50 EIAA COc1ccc(/C=C/C(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 476665 ADGNMTYOBLMDMP-CYIWUNGXSA-N 325.383 4.215 0 50 EIAA CCOC(=O)c1cccc(NC(=O)Nc2ccc(F)c(Cl)c2)c1 611365 OUKAIKJWRBVVSX-UHFFFAOYSA-N 336.750 4.300 0 50 EIAA Cc1ccc(N2C(=O)S[C@H](Nc3ccc(Cl)cc3)C2=O)cc1 1009520 OGNAFWDDDVCBRN-AWEZNQCLSA-N 332.812 4.286 0 50 EIAA COc1ccc(CSc2nnc(-c3ccccc3Cl)n2C)cc1 1049306 GWGPZJUSSKFCFN-UHFFFAOYSA-N 345.855 4.436 0 50 EIAA CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 2746994 OXESSDTXVCKTCX-ZDUSSCGKSA-N 333.815 4.453 0 50 EIAA CCCCc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 2843899 XKNPTBXEQQZNDR-VAWYXSNFSA-N 328.437 4.149 0 50 EIAA COc1cccc(OCCCOc2ccccc2Br)c1 2904947 AHYBMKJUOKAOQN-UHFFFAOYSA-N 337.213 4.306 0 50 EIAA COc1ccc(OS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 2979303 OSXBUCDHQUWKLV-UHFFFAOYSA-N 347.219 4.078 0 50 EIAA CCN(CC)c1ccc2cc(C(=O)Nc3cccc(C)c3)c(=N)oc2c1 4635295 OEAQNBMDRUHXAG-UHFFFAOYSA-N 349.434 4.319 0 50 EIAA O=C(NCc1csc2c1CCCC2)c1csc2c1CCCC2 4788408 DOLNVSHCJNNQPT-UHFFFAOYSA-N 331.506 4.497 0 50 EIAA COc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 4955976 UNAIIYVVHNOCGP-INIZCTEOSA-N 336.218 4.149 0 50 EIAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)CCC1CCCC1 6729788 MFHVQZYGJVGBDF-UHFFFAOYSA-N 341.455 4.364 0 50 EIAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 9230473 CUXKIFSIJGULGI-GOSISDBHSA-N 340.423 4.077 0 50 EIAA COc1cc2c(cc1OC)CN(Cc1c(F)cccc1Cl)CC2 19634625 AYYAORNHGUKXIE-UHFFFAOYSA-N 335.806 4.055 0 50 EIAA COc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1 19635015 DIWDJLXPQLNOOB-UHFFFAOYSA-N 346.474 4.166 0 50 EIAA c1cc(CN2CCC[C@H](N3CCCC3)C2)cc(OC2CCCC2)c1 22913736 ITQJFHJVAXZRKJ-IBGZPJMESA-N 328.500 4.068 0 50 EIAA c1ccc(N2CCCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)cc1 72169563 COLQWGWHGVHNNN-IBGZPJMESA-N 342.508 4.312 0 50 EIAA Cc1cccc([C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1 77456002 WPQNSBCLJASIGR-HXUWFJFHSA-N 345.446 4.201 0 50 EIAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)[C@H](C)c1nccs1 91830035 FTCBYXGGUNDYPI-CQSZACIVSA-N 341.480 4.312 0 50 EIAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@]4(CCCO4)CC3)[nH]c12 97637968 CIIQSYYTNYLRAG-NRFANRHFSA-N 340.467 4.268 0 50 EIAA Clc1ccc2nc(CNc3nnc(C4CCCCC4)o3)cn2c1 181633930 HMRXLVNHYKOTQG-UHFFFAOYSA-N 331.807 4.031 0 50 EIAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1c1ccccn1 216283662 AVXUPEMFRQXUAQ-KRWDZBQOSA-N 348.368 4.397 0 50 EIAA Cc1ccccc1[C@@H](C)CNC(=O)c1cc(-c2cccs2)on1 227155285 FVRLPBDHCCRLBL-ZDUSSCGKSA-N 326.421 4.245 0 50 EIAA CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 241287094 LJVHNVYQMGPRIL-IVZBYUQCSA-N 348.918 4.416 0 50 EIAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1nccs1 252539703 OKHQKGHHORPEKK-UHFFFAOYSA-N 340.433 4.033 0 50 EIAA Cc1csc([C@@H](NC(=O)Cc2nc(C(C)C)c(C)s2)C2CC2)n1 269623550 IXMGSLUYRFPEGJ-INIZCTEOSA-N 349.525 4.150 0 50 EIAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1sccc1Cl 285241744 WEJOERPFUJAKQG-CYBMUJFWSA-N 337.828 4.212 0 50 EIAA O=C(c1cc[nH]c1C1CC1)N1CCC[C@H](Oc2ccccc2Cl)C1 339958286 GNDWZPYHFCUFNE-AWEZNQCLSA-N 344.842 4.229 0 50 EIAA Fc1c(Br)ccc(-c2cc(Cl)nc(Cl)n2)c1F 689615212 MIETYFDYDOAETA-UHFFFAOYSA-N 339.954 4.491 0 50 EIAA COCc1cc(N2CCC[C@@H]2c2cc(C)on2)c2cc(F)ccc2n1 811723285 IFHWSTKKHRRQRA-GOSISDBHSA-N 341.386 4.158 0 50 EIAA Cc1nccn1Cc1ccccc1NC(=O)c1cccc(OC(C)C)c1 952977244 JPUGBNRNXDSHJB-UHFFFAOYSA-N 349.434 4.279 0 50 EIAA O=C(N=c1[nH]nc(CC2CCCC2)o1)c1ccc(-c2ccccc2)cc1 1875349969 VEYDHYMOGWREAA-UHFFFAOYSA-N 347.418 4.144 0 50 EIAA Cc1nn(C2CCC2)cc1C(=O)N(C)[C@H](c1ccc(F)cc1)C1CC1 2325776449 NNSNXHKFLDMXDX-IBGZPJMESA-N 341.430 4.279 0 50 EIAA CN(C)c1nc2sc(C(=O)NC[C@@H]3CCCC4(CC4)C3)cc2s1 2325823802 FMVFXYYVHMHONX-LLVKDONJSA-N 349.525 4.124 0 50 EIAA O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 35077 OFJRMQYUMVEPRV-HXUWFJFHSA-N 332.378 4.305 0 50 EIAA Cn1nc(-c2ccccc2)c(CO)c1Sc1ccc(Cl)cc1 169118 FMJSPNPSYNXTTD-UHFFFAOYSA-N 330.840 4.384 0 50 EIAA CCc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 443135 MBQIWUFUXJACIR-UHFFFAOYSA-N 347.208 4.051 0 50 EIAA Clc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)c(Cl)c1 533533 NHYBLPMHCSFKOM-UHFFFAOYSA-N 348.218 4.222 0 50 EIAA S=C(c1ccc(C(=S)N2CCCCC2)cc1)N1CCCCC1 573577 SDXKILUPCLISFT-UHFFFAOYSA-N 332.538 4.009 0 50 EIAA Cc1cc(OC[C@H](O)CN[C@@H](C)c2ccccc2)cc(C)c1Cl 2674784 ZCYYUSJJSWGWPN-DOTOQJQBSA-N 333.859 4.047 0 50 EIAA Cc1ccc2nc(CSc3ncnc4sc(C)cc34)[nH]c2c1 4386195 HVIWDFGPZTUHDF-UHFFFAOYSA-N 326.450 4.477 0 50 EIAA C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1 6698998 VVSIWXOUQGWQBU-SECBINFHSA-N 331.641 4.366 0 50 EIAA Cc1c(C(=O)Nc2ccnn2Cc2cccs2)oc2ccccc12 7793629 SUOBZBHOANGESG-UHFFFAOYSA-N 337.404 4.300 0 50 EIAA Cc1ccc2oc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)c(C)c2c1 12303663 QDFMKJIJAILRCF-INIZCTEOSA-N 348.324 4.478 0 50 EIAA CCc1cc(C(=O)Nc2nc(-c3cnn(CC)c3C)cs2)cs1 20607215 WWJOOOHBAVCNTJ-UHFFFAOYSA-N 346.481 4.211 0 50 EIAA Cc1nn(CCC(C)C)c2c1[C@@H](CCc1ccccc1)CC(=O)N2 65529568 VIGQSQGBNUWBLM-KRWDZBQOSA-N 325.456 4.296 0 50 EIAA CCc1ncc2c(n1)CN(c1cc(C)c3ccc(SC)cc3n1)C2 67881249 ZOKZHONQPUKXGZ-UHFFFAOYSA-N 336.464 4.138 0 50 EIAA Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(C)c1 72117891 LDLNJMNWLDYOHO-UHFFFAOYSA-N 338.451 4.029 0 50 EIAA COc1ccc2c(C)c(C(=O)N(C)Cc3cccnc3Cl)oc2c1 91468963 IIPVDKJEBDXWIY-UHFFFAOYSA-N 344.798 4.070 0 50 EIAA COc1c(F)cc(-c2cn(Cc3ccccc3C)nn2)cc1Cl 91690904 NMCIIJAEOVPIKE-UHFFFAOYSA-N 331.778 4.103 0 50 EIAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc3occc(=O)c3c2)C1 95530966 SVHJEMSHSCTFJN-JLTOFOAXSA-N 340.423 4.226 0 50 EIAA CC(C)(C)OC(=O)N1CCC[C@@H](c2nccc(-c3cccs3)n2)C1 96032171 NYNIBOUKVXPVBR-CYBMUJFWSA-N 345.468 4.320 0 50 EIAA O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1C[C@H]1c1ccc(F)cc1 110567664 VZVCWHOTAKFGAH-QKNQBKEWSA-N 346.405 4.230 0 50 EIAA Cc1cccc(C(C)(C)NC(=O)Nc2cc(C3CCC3)nn2C)c1 153711384 HFUGQRFTRFNMOU-UHFFFAOYSA-N 326.444 4.053 0 50 EIAA Cc1ccc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c(F)c1 176233932 GAMIJXPOFAQBRF-KRWDZBQOSA-N 339.370 4.114 0 50 EIAA Cc1ccc(CC(=O)Nc2cccnc2-c2ccc(Cl)s2)cn1 187137363 PMUWEUZPXUBXIX-UHFFFAOYSA-N 343.839 4.348 0 50 EIAA Cc1cc(C(=O)N(C)c2cccnc2)cc(Cl)c1Br 253415219 UCCZIHITOSOSJV-UHFFFAOYSA-N 339.620 4.083 0 50 EIAA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 257357384 NTIDOCUQWIFRTK-FBESDUJQSA-N 334.500 4.179 0 50 EIAA Cc1occc1-c1cc(=NC(=O)N2CCC[C@@H]2c2cccs2)[nH]o1 328588790 WPGTWKCMVBGTIR-CYBMUJFWSA-N 343.408 4.095 0 50 EIAA CC(C)(C)c1cnc(CCC(=O)N2CCc3cccc(Cl)c3C2)o1 458005306 BEZLKENVXYGKKZ-UHFFFAOYSA-N 346.858 4.143 0 50 EIAA CN1CCN(Cc2cc3c(O)cccc3s2)[C@@H](c2ccccc2)C1 1204146530 WDNGPWLJOBJMGZ-GOSISDBHSA-N 338.476 4.096 0 50 EIAA CCc1ncoc1C(=O)Nc1cc(C(C)C)nn1-c1ccc(C)cc1 1353581813 FNPFVFKCRUNFJR-UHFFFAOYSA-N 338.411 4.107 0 50 EIAA Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n([C@H](C)C2CC2)n1 1529167541 NDHYKKXWWJUKPB-LLVKDONJSA-N 337.345 4.434 0 50 EIAA Cc1cc(NC(=O)Cc2nc([C@H]3C[C@@H]3C)no2)c(Cl)cc1C1CC1 1875405771 OBFQSASUOGVEKT-ZANVPECISA-N 345.830 4.213 0 50 EIAA N[C@@H](CCNC(=O)Nc1cccc(C2CCC2)c1)Cc1ccccc1 2325866462 LWYFESVNOAGEAY-IBGZPJMESA-N 337.467 4.036 0 50 EIAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1Cl 130199 QMXLWGVUFFVIPT-UHFFFAOYSA-N 342.826 4.218 0 50 EIAA Cc1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)cc1C 310472 OUQYDONJCULCAV-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccco1 442900 HDHHPKAEGGACQS-UHFFFAOYSA-N 349.626 4.367 0 50 EIAA COc1ccc2oc(COc3ccc(Cl)cc3)c(C(=O)O)c2c1 1421850 NVKFNXWHGLEPAQ-UHFFFAOYSA-N 332.739 4.372 0 50 EIAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)[C@@H]1CCCO1 4007910 LLCUSVLXASIFOR-ZTNFWEORSA-N 336.435 4.144 0 50 EIAA CCCC[C@@H]1C(=O)CC[C@H]2[C@@H]1CC(=O)[C@@H]2C/C=C\CCCC(=O)O 8716760 CGCZPIJMGKLVTQ-RKUQIFMASA-N 334.456 4.178 0 50 EIAA in-man CN(Cc1ccccc1)CC1CCN(CCc2cccc(F)c2)CC1 12194194 UXJYOJFQGOJIRK-UHFFFAOYSA-N 340.486 4.212 0 50 EIAA Cc1cc(NCc2cccnc2)n2nc(C)c(-c3ccccc3)c2n1 12374421 UKZLNCVELPIRDJ-UHFFFAOYSA-N 329.407 4.020 0 50 EIAA Cc1ccc([C@@H](C)CCN2CCC(CCC(=O)N3CCCC3)CC2)o1 12472191 WNDQVFTVDXFVCZ-KRWDZBQOSA-N 346.515 4.196 0 50 EIAA CC(C)NC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 14965681 AOZDLHYRCHVWGL-UHFFFAOYSA-N 328.799 4.210 0 50 EIAA O=C(CCc1cccnc1)N1CCC[C@@H](CCc2ccccc2F)C1 15074768 ZRYOAVCFDBVHDD-SFHVURJKSA-N 340.442 4.025 0 50 EIAA O=S(=O)(Nc1ccccc1-c1ccccc1)c1cc(F)ccc1F 17071979 IGKSUBYGAMVZNZ-UHFFFAOYSA-N 345.370 4.433 0 50 EIAA CCOc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc12 18043720 WIEMMWUTFXAPGM-GASCZTMLSA-N 347.480 4.190 0 50 EIAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3C(F)(F)F)c2c1 77407040 OVVXEAFXSNPYFW-INIZCTEOSA-N 336.357 4.273 0 50 EIAA CCCOc1ccccc1NC(=O)N1CCO[C@@H](c2cccs2)C1 178056898 SEFZTHQGTIKHJZ-MRXNPFEDSA-N 346.452 4.142 0 50 EIAA Cc1cc2c(N[C@H](C)[C@@H](c3ccccc3)N(C)C)ncnc2s1 225533055 GIMJXPDIWVJETJ-CJNGLKHVSA-N 326.469 4.103 0 50 EIAA CN(C(=O)c1cc(F)cc2cccnc12)c1cccc2ncccc12 241587875 OXUBUFODUHBPSC-UHFFFAOYSA-N 331.350 4.199 0 50 EIAA O=C(O)C1CCC(Nc2ccc(SCc3ccccc3)cn2)CC1 263451222 ZQUBDDJHFMLEHF-UHFFFAOYSA-N 342.464 4.429 0 50 EIAA CC[C@H](NC(=O)NC1(CO)CCCCCC1)c1ccc(C)c(C)c1 584885431 BUVSOPPFMDPVAK-SFHVURJKSA-N 332.488 4.139 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(Cl)c1)C2 1704338776 FZVNSIAQYZLIEG-NVXWUHKLSA-N 342.266 4.415 0 50 EIAA c1ccc(-n2nccc2-c2nccn2CCCOC2CCCC2)cc1 1857702432 AZCDRZPRMNCQOK-UHFFFAOYSA-N 336.439 4.085 0 50 EIAA CCc1nc([C@@H]2CCCN2CC(C)C)n(-c2cc(C)cc(C)c2)n1 1875348613 WSPDEPOGVLZXRV-SFHVURJKSA-N 326.488 4.239 0 50 EIAA Cc1ccc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 306685 LMDUQDIVNDRKKV-UHFFFAOYSA-N 332.428 4.482 0 50 EIAA CCSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 312781 GAGLSSGMNWRWPS-UHFFFAOYSA-N 331.466 4.203 0 50 EIAA COc1ccc2nc(SC(=O)c3ccccc3F)nc(C)c2c1 355528 IOWLJVZBIJIKAB-UHFFFAOYSA-N 328.368 4.018 0 50 EIAA Cc1c(Br)cccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 409461 RNOVAHXPFCDWLS-ZIAGYGMSSA-N 330.225 4.500 0 50 EIAA Cc1cc(C)nc(N(C#N)[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 471030 AOFKMNAZVCVSNX-LJQANCHMSA-N 342.402 4.005 0 50 EIAA Clc1ccc([C@@H]2C[C@@H](c3ccco3)n3ncnc3N2)c(Cl)c1 531703 VSTJKGRMCFCGAH-STQMWFEESA-N 335.194 4.324 0 50 EIAA O=S(=O)(/C=C/c1ccc(Cl)cc1Cl)NCc1cccs1 1398395 SCWDLKGUBWNANL-FNORWQNLSA-N 348.276 4.145 0 50 EIAA C[C@H](O)CNCCCCOc1ccc(Cl)cc1Cc1ccccc1 2879642 LWGFPBKYUKMXBW-INIZCTEOSA-N 347.886 4.060 0 50 EIAA Cc1cc(C)nc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 4143028 FZBFKPLJBKXMHI-DAXOMENPSA-N 336.501 4.190 0 50 EIAA CCOc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1 7996299 GHANUSDVSPMIFQ-UHFFFAOYSA-N 333.438 4.021 0 50 EIAA Cc1cccc(CN2CCOc3c(O)cc(-c4ccccn4)cc3C2)c1 12243592 JCFLSAIZKFEXMD-UHFFFAOYSA-N 346.430 4.157 0 50 EIAA C(=C/c1ccccc1)\CN1CCN(C2C3CC4CC(C3)CC2C4)CC1 19637358 NBCVSZDGZJCINY-QPJJXVBHSA-N 336.523 4.142 0 50 EIAA O=C(C[C@H](c1c[nH]c2ccccc12)C(F)(F)F)OCC(F)(F)F 19891477 BGYDQZWFJLIUDV-SNVBAGLBSA-N 339.235 4.309 0 50 EIAA Cc1cc(NC(=O)c2ccccc2-c2ncc[nH]2)c2ccccc2n1 20202737 HYBVVUSSJNVNJS-UHFFFAOYSA-N 328.375 4.186 0 50 EIAA c1cc([C@@H]2CCCCO2)oc1CN1CCc2[nH]nc(C3CCC3)c2C1 23158604 QAOVLGTWRIMHRO-SFHVURJKSA-N 341.455 4.070 0 50 EIAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 39944340 NCMZQTLCXHGLOK-HRFMKDBOSA-N 330.468 4.450 0 50 EIAA Cc1cc(C)c2[nH]c(C(=O)N(C)[C@H](C)c3cncs3)c(C)c2c1 91321666 LTQZCXSZROWHBA-CYBMUJFWSA-N 327.453 4.383 0 50 EIAA CC(C)[C@@H](NC(=O)Nc1cccnn1)c1cccc(C(F)(F)F)c1 151776494 DRAXKXGPJUDHKQ-CQSZACIVSA-N 338.333 4.014 0 50 EIAA CCOCc1csc(-c2ccc(NC(=O)c3ccco3)cc2)n1 185921645 WLJOKMAYZXDQJT-UHFFFAOYSA-N 328.393 4.192 0 50 EIAA O=C(c1csc(Cl)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 188271637 AASHOVCILCSJEP-NEPJUHHUSA-N 341.885 4.191 0 50 EIAA CSc1cccc(CNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)c1 216517316 VCARBGBBURYWGW-UHFFFAOYSA-N 342.439 4.196 0 50 EIAA COc1ccc(Br)cc1NC(=O)c1ccoc1C1CC1 241897276 TXEUEWXVXLZDLD-UHFFFAOYSA-N 336.185 4.180 0 50 EIAA COc1ccc(CN(Cc2ccsc2)C[C@H]2CCCO2)cc1F 824721367 KHBRFAJEXUFZEO-MRXNPFEDSA-N 335.444 4.077 0 50 EIAA C[C@H](NCc1cccc2ncccc12)c1ccc2c(c1)C(C)(C)C(=O)N2 872124544 OXLCXOVWRJBPPD-AWEZNQCLSA-N 345.446 4.315 0 50 EIAA CSc1ccc2nc(N3CCC[C@]4(CCC[C@H]4O)C3)cc(C)c2c1 1704310021 WGDYVLMDDXJOEF-UYAOXDASSA-N 342.508 4.397 0 50 EIAA Cc1ccc(NC(=O)CCOc2ccccc2)c(Br)c1 132994 MCLXEAXCSAMSTM-UHFFFAOYSA-N 334.213 4.165 0 50 EIAA COc1ccc(/C=C/C2=CCN(C[C@H](O)c3ccccc3)CC2)cc1 207095 PFGACNCYPUZIOS-DORXLWPQSA-N 335.447 4.074 0 50 EIAA O=C(NCc1cccnc1)c1cc(-c2ccccc2)nc2ccccc12 217348 ICMFMTLDCBBXNA-UHFFFAOYSA-N 339.398 4.227 0 50 EIAA Cc1cc(Cl)ccc1OC[C@@H](O)CNC(C)(C)CC(C)(C)C 2940438 GJXGWWYASKEQEX-HNNXBMFYSA-N 327.896 4.193 0 50 EIAA O=C(Nc1cccc(F)c1)[C@@H]1CC12CCN(C[C@@H]1CC=CCC1)CC2 14995420 OSHGBSDQLVGQEE-APWZRJJASA-N 342.458 4.223 0 50 EIAA COc1ccc(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 17068733 IHEOZOOQWRBPOZ-UHFFFAOYSA-N 334.297 4.355 0 50 EIAA COc1cc(F)c(CN2CCC[C@@H]2c2ccc(F)cc2)cc1OC 72166776 WYJLJZKUFFVKID-QGZVFWFLSA-N 333.378 4.319 0 50 EIAA COc1cccc([C@H]2CCCCN2C(=O)c2cccnc2SC)c1 77485542 STPQGPSIKGAKON-QGZVFWFLSA-N 342.464 4.180 0 50 EIAA C[C@H](c1cncs1)N(C)C(=O)c1csc(-c2cccs2)n1 82107781 KZCHHUCHRHHLSA-SECBINFHSA-N 335.479 4.161 0 50 EIAA Cc1cc(C(=O)N2CCC[C@]3(CCCO3)CC2)c2cccc(C)c2n1 97784883 SQEUVBXIOFCHJI-NRFANRHFSA-N 338.451 4.027 0 50 EIAA Cc1noc(C2CC2)c1NC(=O)Nc1nnc(-c2ccsc2)s1 121892720 JHXCXXNZQKOCLM-UHFFFAOYSA-N 347.425 4.084 0 50 EIAA Cc1cccc([C@@H](C)C(=O)Nc2cnn(-c3ccccc3F)c2C)c1 129617290 WWDQNXGCWNJSJR-CQSZACIVSA-N 337.398 4.370 0 50 EIAA COC(=O)N(C)c1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1 172218683 DWBKEWYFXQNELO-UHFFFAOYSA-N 338.367 4.015 0 50 EIAA O=C(Cc1ccccc1)N1CCC[C@H]1c1nc(C2CCCCC2)no1 193167516 DEPPCURHJLMLOE-KRWDZBQOSA-N 339.439 4.024 0 50 EIAA CC(C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C(=O)O)cc1 263316657 HUNAAWBVRQSBMV-UHFFFAOYSA-N 345.826 4.018 0 50 EIAA COc1cc(/C=C/CN2Cc3cc(C)ccc3O[C@@H](C)C2)ccc1O 299766054 BGHCPERJPRUUQD-APHBUQMISA-N 339.435 4.006 0 50 EIAA Cn1nc(C2CC2)cc1NC(=O)N1CCCC[C@H]1c1cccc(F)c1 299776905 MYMWCNKHSQMEEH-KRWDZBQOSA-N 342.418 4.196 0 50 EIAA CNC(=O)c1ccc(C)c(N[C@H]2CCC[C@H](c3ncccc3C)C2)c1 331500040 HFZBTDVBCIGLAS-WMZOPIPTSA-N 337.467 4.196 0 50 EIAA OCC[C@H](N[C@H]1CCCOc2cc3c(cc21)CCCC3)c1ccco1 376881868 KBOSVJXWVYBVSQ-OALUTQOASA-N 341.451 4.085 0 50 EIAA FC(F)(F)c1ccccc1-c1nc(Cn2cc(C3CCC3)nn2)co1 900568208 ARPOYIBLZPHVIG-UHFFFAOYSA-N 348.328 4.268 0 50 EIAA NCc1ccccc1NC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 904651753 IPNXSRPRVJPMQE-QFIPXVFZSA-N 349.478 4.047 0 50 EIAA CCC1CCC([C@@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1 2325842352 VMUWKNRKFQDZEL-STKUJCBHSA-N 343.511 4.263 0 50 EIAA COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 302225 GNVMZKDWEZYNCI-SNVBAGLBSA-N 340.206 4.408 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1 309377 FRQBVMCUIBXXBE-UHFFFAOYSA-N 346.455 4.374 0 50 EIAA CCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 340013 KUZNZRPTWLZDGH-UHFFFAOYSA-N 328.441 4.115 0 50 EIAA Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C(C)C)ccc2O)c1 512921 VHICXWLPQURYNA-UHFFFAOYSA-N 342.464 4.259 0 50 EIAA COc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 514290 JBWRDDKFZZWUCZ-JTQLQIEISA-N 340.206 4.408 0 50 EIAA O=C(C[C@H]1Sc2ccccc2N=C1O)Nc1ccc(Cl)cc1 2486945 IYIITGYYTBUPTI-CQSZACIVSA-N 332.812 4.431 0 50 EIAA COc1cccc(OCc2ccc(C(=O)NC3CCCCC3)cc2)c1 2751731 ICFBCWXJUOHZKL-UHFFFAOYSA-N 339.435 4.337 0 50 EIAA Cc1ccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)cc1 2879202 UBNVTEWLFRLMNU-UHFFFAOYSA-N 341.436 4.157 0 50 EIAA CCCOC(=O)c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1 2951332 QOXBTCGLTFWJCL-SFHVURJKSA-N 325.408 4.386 0 50 EIAA Cc1c(CC(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 4043840 IQWQGQREZKOSCN-UHFFFAOYSA-N 334.327 4.142 0 50 EIAA biogenic O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccccc2)s1 4827385 SXSZHQMBXNRJSY-UHFFFAOYSA-N 345.424 4.075 0 50 EIAA Cc1ccc(-n2nnnc2COc2ccc(Cl)cc2Cl)c(C)c1 6759435 OMFWHBFDDBDQHC-UHFFFAOYSA-N 349.221 4.165 0 50 EIAA NCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 6864031 HQKDFYFSZCDXNN-UHFFFAOYSA-N 330.475 4.307 0 50 EIAA biogenic,in-vitro CCC(=O)Nc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2C)c1 9230824 XKZRCZXHUMBAOC-QGZVFWFLSA-N 340.423 4.140 0 50 EIAA COc1ccccc1CCNC(=O)Nc1ccccc1C(F)(F)F 13324151 MQUUQCIBYCJSQB-UHFFFAOYSA-N 338.329 4.078 0 50 EIAA Cc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)s1 13325732 YBNYPRJZQNPWNA-UHFFFAOYSA-N 332.169 4.350 0 50 EIAA Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc[nH]1 15073765 BEPARHBMLVMSSX-NRFANRHFSA-N 346.409 4.178 0 50 EIAA CCn1c(S)nnc1-c1cc(-c2ccc(C)o2)nc2ccccc12 17070729 YHFCISLLVFDIDK-UHFFFAOYSA-N 336.420 4.370 0 50 EIAA COc1ccc(-n2cccn2)c(CN2CCCC[C@@H]2c2ccccn2)c1 72168636 IIPFFOSTCSZJHO-OAQYLSRUSA-N 348.450 4.003 0 50 EIAA CN(Cc1ccc(Cn2cccn2)cc1)Cc1cccc2ncccc12 72171629 OVJHZKGMJIAWRJ-UHFFFAOYSA-N 342.446 4.112 0 50 EIAA CC(C)(O)CCc1ccc(CN2CCC[C@H]2c2nccs2)cc1 72407037 WLPJACFPANILSQ-KRWDZBQOSA-N 330.497 4.184 0 50 EIAA Cc1cc(C)n([C@H]2CCN(c3nc(-c4ccc(F)cc4)cs3)C2)n1 77503831 TYLMYIULZMWSOP-INIZCTEOSA-N 342.443 4.214 0 50 EIAA Cn1ccc2ccc(C(=O)N3CC[C@@H](c4ccccc4Cl)C3)cc21 95507286 GRDPTXBJZFNHHQ-MRXNPFEDSA-N 338.838 4.461 0 50 EIAA CSc1cccc(N(C(=O)c2ccc(C)o2)C2CCN(C)CC2)c1 112247855 ZFQKMTTVOSELNG-UHFFFAOYSA-N 344.480 4.051 0 50 EIAA OC[C@H]1CCCC[C@H]1Nc1ncnc2sc(-c3ccccc3)cc12 170636472 NLCLRTRBEQXZQN-GDBMZVCRSA-N 339.464 4.321 0 50 EIAA Cc1nc([C@@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)c(C)s1 223289239 SSEDAGJEHRFRHC-CQSZACIVSA-N 349.544 4.126 0 50 EIAA O=C(Nc1nccs1)c1ccc(NCc2ccccc2F)cc1 225642071 XDKOVYGFUCYEPC-UHFFFAOYSA-N 327.384 4.147 0 50 EIAA CNc1nc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cs1 244816794 SOOYTJCKHROQRS-LBPRGKRZSA-N 344.509 4.174 0 50 EIAA C[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NC[C@H]1CCCO1 245327833 RTOVSWPWNYKPES-YFVAEKQCSA-N 331.500 4.061 0 50 EIAA CN[C@H](C)Cc1noc(-c2cc3sc4ccccc4c3s2)n1 261895737 XZOJEYSDALDNMZ-SECBINFHSA-N 329.450 4.316 0 50 EIAA Cc1cc(NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)ccc1-c1ccccc1 274063066 QNXXEXJCCYATQC-ROUUACIJSA-N 336.435 4.182 0 50 EIAA Cc1cccc(-n2nc(C3CC3)nc2-c2ccc(CN(C)C)o2)c1C 823709328 ZCYZSQQTYUHWJM-UHFFFAOYSA-N 336.439 4.083 0 50 EIAA Cc1cc2c(cn1)CN(C(=O)Cc1coc3cc(C)c(Cl)cc13)C2 1857673704 RSXRVYAGWKYBKA-UHFFFAOYSA-N 340.810 4.183 0 50 EIAA O=C(Nc1ccc(Cl)nc1)c1cccnc1SCC(F)(F)F 2325719735 CPGXXBHOHJFGPD-UHFFFAOYSA-N 347.749 4.037 0 50 EIAA CO[C@@]1(C(=O)N2CCC(c3cc(C)no3)CC2)CCCC(C)(C)CC1 2325817938 HBDGEENSGRGJJK-FQEVSTJZSA-N 348.487 4.065 0 50 EIAA O=C(COc1ccc(Cl)cc1Cl)NCCC1=CCCCC1 68706 FDWQHONUMWVKJA-UHFFFAOYSA-N 328.239 4.379 0 50 EIAA COc1cc(C=O)ccc1Oc1nc(C)nc2sc3c(c12)CCC3 332833 WPHSWKBZCNAUOV-UHFFFAOYSA-N 340.404 4.102 0 50 EIAA CCc1c(C)sc(NC(=O)c2ccc(C)c(C)c2)c1C(=O)OC 433941 LHVGRFUAUABIAT-UHFFFAOYSA-N 331.437 4.275 0 50 EIAA Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(C)cc3C)C2=O)c1 1232460 XEEOMZRAXDQLRZ-MRXNPFEDSA-N 326.421 4.250 0 50 EIAA CCCCc1ccc(NC(=O)COc2ccc(OCC)cc2)cc1 1914192 UJXJNMUYVNOQBQ-UHFFFAOYSA-N 327.424 4.445 0 50 EIAA O=C(Nc1cccnc1)c1ccccc1-c1nc(-c2ccccc2)no1 5516485 UIDNSBZMANKOCH-UHFFFAOYSA-N 342.358 4.051 0 50 EIAA CCc1nc(C)c(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)[nH]1 12434035 SUAUQXSAPOVOQH-OAHLLOKOSA-N 345.874 4.029 0 50 EIAA COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 16216351 PODDLESCQQGCMH-UHFFFAOYSA-N 328.387 4.077 0 50 EIAA Cc1noc(C)c1Cn1ccc(-c2cccc(-c3ccccn3)c2)n1 23153655 WXVBWJUVLMVABQ-UHFFFAOYSA-N 330.391 4.265 0 50 EIAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc2sccc2c1 92081818 AONPAMYINLJFHO-UHFFFAOYSA-N 349.415 4.224 0 50 EIAA C[C@H](NC(=O)OCc1ccccc1)c1ccc(Br)cc1 95495748 BVJWRQFRIPSXMB-LBPRGKRZSA-N 334.213 4.437 0 50 EIAA in-vitro Cc1cccc([C@@H](C)OC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1 170632951 FIXDZUDJLFNRFH-CQSZACIVSA-N 349.434 4.381 0 50 EIAA CC(C)Cn1ccnc1CN[C@@H](C)c1cc(Br)cs1 194056434 MLBDKWKMWMTKTK-NSHDSACASA-N 342.306 4.214 0 50 EIAA CCOc1ccc([C@@H](CC)NC(=O)c2ccc(COC)s2)cc1 215511863 IKJNIXYSHPUXNN-MRXNPFEDSA-N 333.453 4.174 0 50 EIAA O=C(CSc1ccncc1)N1CCCCC[C@H]1c1cccc(F)c1 219410505 YEKQDCMSLDYMAT-SFHVURJKSA-N 344.455 4.457 0 50 EIAA O=C(O)c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1Cl 225457248 OQPIKAZXIYUXTN-UHFFFAOYSA-N 348.767 4.007 0 50 EIAA c1ccc(CC[C@@H]2CCCCN2Cc2cc(-c3ccncc3)no2)nc1 244882689 XWPWPRAKJOMCKV-IBGZPJMESA-N 348.450 4.119 0 50 EIAA O=C(Cc1c(F)cccc1F)Nc1ccc2sc(C(=O)O)cc2c1 431533935 VTLROOTXLWIQGH-UHFFFAOYSA-N 347.342 4.059 0 50 EIAA O=C(CCCC1CCCC1)N1C[C@@H](n2cccn2)Cc2ccccc21 464421933 SUABIDQBENQBDA-IBGZPJMESA-N 337.467 4.374 0 50 EIAA O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc(F)c2ccccc12 480023124 YFWCMLWBOYXMOB-UHFFFAOYSA-N 332.338 4.016 0 50 EIAA Cc1nc2cc(NC(=O)N[C@H]3CCc4c(O)cccc43)ccc2s1 781490150 CEPGURCSCKINKK-AWEZNQCLSA-N 339.420 4.119 0 50 EIAA C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)c1ccccc1 798220863 DXIQKIKWYILCMC-HNNXBMFYSA-N 340.394 4.452 0 50 EIAA O[C@@H](CNCc1ccc2occc2c1)c1ccc(C(F)(F)F)cc1 808426324 QVZHGAOPXYAJMS-INIZCTEOSA-N 335.325 4.275 0 50 EIAA O=C(Nc1cnc2c(F)cccc2c1)[C@@H]1CCOC2(CCCC2)C1 912408491 DUVKYDLCSNVOGJ-CQSZACIVSA-N 328.387 4.052 0 50 EIAA CC(C)Cc1noc([C@@H]2CCCN(c3ccnc4ccccc34)C2)n1 1529167922 RKCXCQYSSJSNMB-OAHLLOKOSA-N 336.439 4.200 0 50 EIAA O=C([C@@H]1CC[C@H]1c1ccc(F)cc1)N1CCCC[C@H]1C1CCOCC1 2325810446 LDCAHLGFLGNFME-ZCNNSNEGSA-N 345.458 4.127 0 50 EIAA FC(F)(F)Cn1nc(C2CCCC2)nc1-c1cccc2c1COC2 2356138193 HRTJUYBGTXRKSK-UHFFFAOYSA-N 337.345 4.195 0 50 EIAA COC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@@H](C)C2 118432 VNUGIQBEUNAZPX-GFCCVEGCSA-N 343.448 4.220 0 50 EIAA COc1ccc(CC(=O)Nc2cccc(Cl)c2Cl)cc1OC 433743 JNDCGFOILVOJTM-UHFFFAOYSA-N 340.206 4.192 0 50 EIAA CSc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 1066005 WXPDTNHFKMOVOC-UHFFFAOYSA-N 327.858 4.171 0 50 EIAA O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC[C@@H](c2ccccc2)C1 2831139 DCLGOTDVTZKVFQ-SNVBAGLBSA-N 341.279 4.012 0 50 EIAA COc1ccc(-c2cccc(C(=O)NCCOc3ccccc3)c2)cc1 4577117 LYPNWHIPUBNFNP-UHFFFAOYSA-N 347.414 4.171 0 50 EIAA CCCCOc1ccccc1[C@H]1CC(=O)Nc2cc3c(cc21)OCO3 4910064 CZFLDKOYGCUODB-CQSZACIVSA-N 339.391 4.068 0 50 EIAA CC(C)(C)c1cc(CN2CCCC[C@H]2CO)cc(C(C)(C)C)c1O 4948523 MELWRIWLVQKXIU-INIZCTEOSA-N 333.516 4.334 0 50 EIAA CC(C)(C)Nc1ncnc2scc([C@H]3COc4ccccc4O3)c12 6702441 GNRQUIJIJLEGTD-CQSZACIVSA-N 341.436 4.414 0 50 EIAA COc1ccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 12380739 JDZXHVGECZMATB-JTQLQIEISA-N 340.206 4.408 0 50 EIAA Cc1cc(-c2ccccc2)nc2cc(C(=O)N3[C@@H](C)CCC[C@H]3C)nn12 17920553 GSTQYWKPVKSOKS-GASCZTMLSA-N 348.450 4.108 0 50 EIAA CCOC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@H]1C(F)(F)F 40566573 LYTSKLUKUQXMGW-LLVKDONJSA-N 341.112 4.263 0 50 EIAA CC(C)Cc1cn(C2CCN(C(=O)CC3CCCCCC3)CC2)nn1 48179407 NTPZRVQLUGYPRX-UHFFFAOYSA-N 346.519 4.001 0 50 EIAA CCc1c(C(=O)N(C)[C@H](CN(C)C)c2ccccc2)[nH]c2ccccc12 97578493 IAKWOOJZAXYUCI-HXUWFJFHSA-N 349.478 4.105 0 50 EIAA CCc1cc(CN(C)C(=O)c2cccc(-c3cccc(F)c3)c2)on1 219645735 CEHOEABBQGSGKM-UHFFFAOYSA-N 338.382 4.315 0 50 EIAA CC[C@@H](NC(=O)c1ccccc1OC(F)F)c1nc(C)c(C)s1 222925568 RCMVJNVDDKVTLZ-GFCCVEGCSA-N 340.395 4.242 0 50 EIAA Cc1sccc1CNCc1ccc(COC2CCOCC2)cc1 339315091 KJBIWXJHMSXTOI-UHFFFAOYSA-N 331.481 4.042 0 50 EIAA CCN(C(=O)C[C@@H]1CCOC1)[C@H](c1ccccc1)c1ccc(F)cc1 408512943 GRVYLEDUTATSLS-HRAATJIYSA-N 341.426 4.190 0 50 EIAA CCCn1c(C)nc2cc(NC(=O)c3cccc4c3CCC4=O)ccc21 952987550 NBPGBJADUDXWEG-UHFFFAOYSA-N 347.418 4.136 0 50 EIAA CC(C)Cc1csc2nc(-c3coc(C(F)(F)F)n3)nc(O)c12 1875270694 UDVXFFGINGOELV-UHFFFAOYSA-N 343.330 4.269 0 50 EIAA CCCCOc1ccc(NC(=O)c2cncc3cnccc23)c(C)c1 2325807083 YVZFXUCVLBISDS-UHFFFAOYSA-N 335.407 4.369 0 50 EIAA COC(=O)CCCN[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 2325840902 WULRLPMDYGHCOF-WFASDCNBSA-N 330.255 4.172 0 50 EIAA O=S(=O)(Nc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 235816 HSKHEMGXJUDSBK-UHFFFAOYSA-N 327.380 4.294 0 50 EIAA CC(=O)c1cccc(NC(=O)Nc2ccc(OC(F)F)cc2C)c1 610003 RYFUTTWVXHXKFS-UHFFFAOYSA-N 334.322 4.443 0 50 EIAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@H](C)C(C)=O 2902383 ZXJQVAYDRXRVAL-CQSZACIVSA-N 336.387 4.379 0 50 EIAA O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccncc1 5073035 QUCXUDXKHSAZBZ-UHFFFAOYSA-N 347.399 4.316 0 50 EIAA COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc1 13746726 UEOIKFQRWGKQQG-AWEZNQCLSA-N 340.423 4.479 0 50 EIAA Cc1cc(-c2nc([C@@H]3CC(=O)N(C4CCCC4)C3)[nH]c2C)c(C)s1 23398887 HLSYOHUFNMGTDZ-CQSZACIVSA-N 343.496 4.322 0 50 EIAA Cc1cc(Br)ccc1NC=C1C(=O)CC(C)(C)CC1=O 48402785 QKDZRUTUMKWCQO-UHFFFAOYSA-N 336.229 4.012 0 50 EIAA CC[C@@H](CO)N(Cc1cnc2ccccc2c1)Cc1cccs1 55309934 JWLQLZZCRVHAKZ-KRWDZBQOSA-N 326.465 4.069 0 50 EIAA COc1ccccc1N1CCN(Cc2ccc3ccccc3c2)CC1 55543181 ZVCCTVBBESRSAT-UHFFFAOYSA-N 332.447 4.171 0 50 EIAA Cc1cn2cc(C(=O)N3CCC[C@H](c4ccccc4)CC3)ccc2n1 82134145 UMYJGXFLXAFFDI-SFHVURJKSA-N 333.435 4.053 0 50 EIAA Cn1cc(Cl)c(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1 97772776 JQPPWAJBGNDULX-UHFFFAOYSA-N 349.837 4.188 0 50 EIAA Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(C)c(F)c(C)c1)CCC2 121858212 IUGBENAIGKLHFG-HNNXBMFYSA-N 332.444 4.357 0 50 EIAA CC(C)(C)OC(=O)N1CCC(Nc2ccc(-c3ncco3)cc2)CC1 122157094 DBIJAFSITGGWHE-UHFFFAOYSA-N 343.427 4.153 0 50 EIAA C[C@@H]1CCCC[C@H]1N1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 253409288 ZYZBUARHBCRTFR-BSLALVQMSA-N 335.447 4.109 0 50 EIAA Cc1cc(C(=O)N2CCCC[C@H]2C(F)F)c(C)cc1Br 328589354 PBMCTCDJFJMCJI-ZDUSSCGKSA-N 346.215 4.326 0 50 EIAA CC(C)(C)c1coc(CNC(=O)NCc2cc3ccccc3s2)n1 892325050 DQQVQPQZMJESEJ-UHFFFAOYSA-N 343.452 4.186 0 50 EIAA CN(C(=O)C(F)(F)c1cccnc1)c1cc(Cl)ccc1Cl 2325849919 FPGAJOZFLYTJDY-UHFFFAOYSA-N 331.149 4.143 0 50 EIAA O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1cc2ccccc2o1 38139 NQRZFNKDQYAGGG-UHFFFAOYSA-N 341.388 4.324 0 50 EIAA CCc1cccc(OCC(=O)Nc2ccccc2Br)c1 148555 DTTGOWGRPZZJPL-UHFFFAOYSA-N 334.213 4.029 0 50 EIAA COc1cc(NC(=O)CSc2ccccc2)c(OC)cc1Cl 318678 ZAULVQNDDZWFIL-UHFFFAOYSA-N 337.828 4.088 0 50 EIAA O=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 453522 BQPHZTXCYLAKOD-UHFFFAOYSA-N 325.589 4.494 0 50 EIAA O=C(Oc1ccc(-c2nc(-c3cccnc3)no2)cc1)c1ccccc1 4593134 PLYKTWJQOFRCER-UHFFFAOYSA-N 343.342 4.018 0 50 EIAA O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cccc2ccccc12 4821492 JLFPLCBDGWCTTM-UHFFFAOYSA-N 344.414 4.328 0 50 EIAA c1ccc(COc2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1 4842589 QTAWUCUYRLRICU-UHFFFAOYSA-N 329.359 4.378 0 50 EIAA CCCc1ccc2oc(C(=O)NCCc3ccc(O)cc3)c(C)c2c1 11813063 ZOMWJQBVQHTUMH-UHFFFAOYSA-N 337.419 4.372 0 50 EIAA COc1cc(C(=O)O)ccc1OCc1c(Cl)cccc1Cl 11860110 BHUPXSQDWPTCQD-UHFFFAOYSA-N 327.163 4.279 0 50 EIAA in-vitro Cc1ccc(-n2cccn2)c(CN2CCC[C@H](Nc3ccccc3)C2)c1 15062967 MKGPXSDMTYPBPO-NRFANRHFSA-N 346.478 4.257 0 50 EIAA Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1 18164154 QKHOLMCAIKHCFU-KDURUIRLSA-N 335.403 4.467 0 50 EIAA C[C@H]1CN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 20363271 MDABBCUXNKQWLL-CALCHBBNSA-N 347.462 4.353 0 50 EIAA CCCn1cc(-c2cc(C(=O)N3CCC[C@H]3C)c3ccccc3n2)cn1 20917776 SCHSFCQUGDDDDR-OAHLLOKOSA-N 348.450 4.133 0 50 EIAA Cc1ccccc1-c1ncc(CN(Cc2nccn2C)C2CC2)s1 65366109 ITXFHHTWHWBXCY-UHFFFAOYSA-N 338.480 4.017 0 50 EIAA Cc1cc(C)n(-c2cccc(-c3ncccc3NC(=O)C(C)C)c2)n1 67754654 PJTVXFLOTIQENU-UHFFFAOYSA-N 334.423 4.146 0 50 EIAA COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCC[C@H]1C(=O)O 71770516 BDDGXPYZRHXXQH-MRXNPFEDSA-N 335.403 4.203 0 50 EIAA CC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccncc1 72149999 NOERHVAKXDTFKS-KRWDZBQOSA-N 329.407 4.355 0 50 EIAA CC(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc1 95356142 SDNZOAXASNOQOC-WIYYLYMNSA-N 340.511 4.147 0 50 EIAA Cc1cccn2c(CC(=O)N[C@@H](C)CC(C)(C)c3ccccc3)cnc12 97601032 OMQIDOHWMAHHCN-KRWDZBQOSA-N 349.478 4.058 0 50 EIAA CCSc1cccc(-c2cc(C(=O)N3CCCCC3)ccn2)c1 97773000 QEUGFFSQXVRRCY-UHFFFAOYSA-N 326.465 4.487 0 50 EIAA CC(C)n1cc([C@H](C)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cn1 245289842 FMSNPGKCZILYJI-TXPKVOOTSA-N 346.544 4.259 0 50 EIAA C[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)C1(F)F 252484224 FSBNXANLCVPOPG-KCXAZCMYSA-N 345.393 4.032 0 50 EIAA O=C(O)c1ccc(CN2CCC[C@H]2Cc2ccccc2Cl)cc1 263573821 MXFCRKCFGCIYFC-KRWDZBQOSA-N 329.827 4.245 0 50 EIAA O=C(N[C@H](CCCO)c1ccccc1)c1c(Cl)cccc1Cl 305148564 OHLHJGCJLHTZLZ-OAHLLOKOSA-N 338.234 4.237 0 50 EIAA O=C(c1ccc(-c2ncccc2F)cc1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 426707189 KVMFZZRADPJDBU-USTZCAOPSA-N 336.410 4.006 0 50 EIAA C[C@H](NC(=O)c1ccc(F)cc1OC(F)F)c1ccc(F)cc1F 437943465 RURWZTVNRBGNJS-QMMMGPOBSA-N 345.267 4.196 0 50 EIAA CC[C@H](NC(=O)N(CC)Cc1ccc(SC)cc1)c1cccnc1 534669734 LKPKQOGOUAEEOB-SFHVURJKSA-N 343.496 4.486 0 50 EIAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 952976594 NJRADNIUGWLOMU-NSHDSACASA-N 346.789 4.247 0 50 EIAA Cc1ccccc1-c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)c1 2100545427 UTMJKWILHRNTCH-IRTIRVBGSA-N 335.447 4.038 0 50 EIAA Cc1scnc1[C@H](C)Nc1nccc(-c2ccc(N(C)C)cc2)n1 2356143518 LHRJWBYKROANMF-LBPRGKRZSA-N 339.468 4.148 0 50 EIAA Cc1ccc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cc1 2356144822 NKMIGFUBFLPKBN-QHCPKHFHSA-N 348.490 4.152 0 50 EIAA Cc1nc(SCc2c(C)noc2C)c2c3c(sc2n1)CCC3 87285 XALJETDBTXJPEQ-UHFFFAOYSA-N 331.466 4.386 0 50 EIAA Cc1ccc(C[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2C)cc1 281417 HGVYNGSVGNPDNN-CJNGLKHVSA-N 341.838 4.325 0 50 EIAA COc1ccc(NC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 2877132 OHMMHQMAAVTXKY-UHFFFAOYSA-N 349.434 4.377 0 50 EIAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(CC)cc2)cc1 2983990 ZVNWNYQVCTYADW-UHFFFAOYSA-N 342.464 4.165 0 50 EIAA Cc1cc(C2(c3ccc(O)c(C)c3)OC(=O)c3ccccc32)ccc1O 3860290 CPBJMKMKNCRKQB-UHFFFAOYSA-N 346.382 4.177 0 50 EIAA in-vitro O[C@H](CNC1CCCCC1)COc1ccc(-c2ccccc2)cc1 4279613 JJAAIENUQPAXII-HXUWFJFHSA-N 325.452 4.016 0 50 EIAA Cc1ccc2nc(NC(=O)c3cc(C)nc4onc(C)c34)sc2c1 10030362 IWNUJLIPWPSFFF-UHFFFAOYSA-N 338.392 4.010 0 50 EIAA Cc1ccc(CN(C)CC2CCN(CCc3ccccc3F)CC2)o1 11815584 BKGAGJVJVCZAPP-UHFFFAOYSA-N 344.474 4.114 0 50 EIAA Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1C 14708067 NSIWTQKNXJDZMO-UHFFFAOYSA-N 344.842 4.046 0 50 EIAA CC(=O)c1cc(CC(=O)NC(c2ccccc2)c2ccccc2)cs1 19227891 DDJQLDBMYXUTLP-UHFFFAOYSA-N 349.455 4.399 0 50 EIAA Cc1ccc(-c2cccc(-c3ccn(Cc4scnc4C)n3)c2)nn1 19300673 BLURKGVFNPYIBC-UHFFFAOYSA-N 347.447 4.129 0 50 EIAA Cc1nc([C@@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)cs1 71763834 UEDRYIZLIQJGDI-CYBMUJFWSA-N 335.436 4.110 0 50 EIAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cc(Cl)ccc1F 82161618 RLGKKANKVIHRKZ-AWEZNQCLSA-N 346.833 4.078 0 50 EIAA Cc1c([C@@H](C)NC(=O)c2sccc2Cl)cnn1-c1ccccc1 91906661 IRJNEBYFBOSRRR-LLVKDONJSA-N 345.855 4.387 0 50 EIAA Clc1ccc(C2=C[C@H](c3ccccc3Cl)n3nnnc3N2)cc1 100819098 WYJBKNZRBZFJQW-OAHLLOKOSA-N 344.205 4.036 0 50 EIAA CN(C)[C@H]1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)C1 104101494 ZKDREEBMTDTLGO-AWEZNQCLSA-N 340.858 4.111 0 50 EIAA C[C@@H](Sc1nnc(C(C)(C)C)o1)c1noc(-c2ccccc2)n1 170615487 NNQKLXHHRJMZDK-SNVBAGLBSA-N 330.413 4.270 0 50 EIAA CCc1n[nH]c2c1CN(C(=O)c1ccccc1-c1cccc(C)c1)CC2 222575072 LPRZHKSARDTQSS-UHFFFAOYSA-N 345.446 4.146 0 50 EIAA O=C(Nc1cccc(CC(F)(F)F)c1)c1cnc(O)c2ccccc12 253537015 ZUQMDZJEQATDNM-UHFFFAOYSA-N 346.308 4.298 0 50 EIAA CC1(C)[C@H]2CC[C@]1(C)C1=C2[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 257358669 VSHZRTNKMMJCAE-AKIIRPQGSA-N 347.458 4.195 0 50 EIAA CCSCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299770006 OCCLUSIEQMVNCU-XHSDSOJGSA-N 329.469 4.016 0 50 EIAA CCN(Cc1c(F)cccc1Cl)C(=O)Nc1ccnn1C(C)C 299793816 IFKHTWDHCDCURY-UHFFFAOYSA-N 338.814 4.311 0 50 EIAA Cc1sccc1CC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 346261263 ZAOPONIVUUZLQN-QZTJIDSGSA-N 347.455 4.117 0 50 EIAA Cc1nc(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c(C)o1 353234298 XYDJTFQQQMKWLF-UHFFFAOYSA-N 325.343 4.053 0 50 EIAA Cc1csc(-c2cccc(NC(=O)N(C)CC(F)(F)F)c2)n1 408514159 UVHIKAXIZVJDGQ-UHFFFAOYSA-N 329.347 4.145 0 50 EIAA CCc1cc2c(N3CCCC[C@H]3c3ncccn3)nc(C)nc2s1 895976342 DXTMTICWUBZINO-HNNXBMFYSA-N 339.468 4.084 0 50 EIAA COc1ccccc1[C@@H]1CCCN1C(=O)Nc1c(C)noc1C(C)C 932867673 CWKSRXBIYRUAJO-HNNXBMFYSA-N 343.427 4.484 0 50 EIAA COc1c(C)cnc(CN(C)CCCOc2ccc(Cl)cc2)c1C 1190426671 JIBQQBXSVJTRLX-UHFFFAOYSA-N 348.874 4.261 0 50 EIAA O[C@@H]1C[C@@H]2CN(c3cc(-c4ccccc4)nc4ccccc34)C[C@@H]2C1 1857683308 UZNJYESVVNKLES-BCDXTJNWSA-N 330.431 4.109 0 50 EIAA C[C@@H](NC(=O)c1c(O)ccc2ccccc12)c1cc2cnccc2o1 1875338564 BXVSFKQAEIFFMS-GFCCVEGCSA-N 332.359 4.178 0 50 EIAA CCCCc1oc2ccccc2c1C(=O)N[C@@H]1CCN(CC)[C@H](C)C1 2325863151 XNRYZSZJRSIHGX-HZPDHXFCSA-N 342.483 4.378 0 50 EIAA CC(C)c1ccc(NC(=O)NCC2=NO[C@H](C)C2)cc1C(F)(F)F 2325864981 IAINJPCZHVWQRF-SNVBAGLBSA-N 343.349 4.115 0 50 EIAA CC(=O)Oc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1 307907 JKGPNUAQSSELNB-UHFFFAOYSA-N 346.741 4.486 0 50 EIAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccco1 373786 VKLUQCLMLWOQOE-UHFFFAOYSA-N 345.351 4.186 0 50 EIAA O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 509172 SEKXIYLJJLZNSN-UHFFFAOYSA-N 341.414 4.015 0 50 EIAA CCOc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc12 1059513 DQCKPKRSGSVEKT-UHFFFAOYSA-N 337.375 4.061 0 50 EIAA O=C(Nc1ccc(Br)cc1)OCCOc1ccccc1 2173854 LWMSFRDWUWGUBC-UHFFFAOYSA-N 336.185 4.077 0 50 EIAA C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccccc1 3908250 AXKCYUDBYGWJIR-LBPRGKRZSA-N 326.783 4.486 0 50 EIAA COc1ccc([C@H]2CN(C)C[C@@H]2C(=O)c2ccc(C)cc2)cc1Cl 5738381 GJASQCPZJSUPBP-SJORKVTESA-N 343.854 4.185 0 50 EIAA CCC(=O)Nc1cccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)c1 9230948 NFSKSWXAAXIBHY-AWEZNQCLSA-N 340.423 4.465 0 50 EIAA C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@H](c2ccc3c(c2)OCO3)[C@@H]1C 14860234 QFUXQRHAJWXPGP-YLYZPZNOSA-N 340.375 4.229 0 50 EIAA biogenic CC(C)=CCN1CCN(CCC2=C(C)CCCC2(C)C)C[C@@H]1CCO 19794800 KBOQGQJBPSLCKG-FQEVSTJZSA-N 348.575 4.238 0 50 EIAA Cc1nc[nH]c1-c1nccn1CCc1c(C)n2c3c(cccc13)CCC2 67871970 RIPZGELCGLSMGL-UHFFFAOYSA-N 345.450 4.034 0 50 EIAA CC(C)N1CCC[C@H]1CNC(=O)c1ccc(-c2cccc(F)c2)cc1 215309465 YKUIJNROPSCSOW-FQEVSTJZSA-N 340.442 4.095 0 50 EIAA Fc1ccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c2ncccc12 328619177 FPWPPAJXSJBWTR-DYESRHJHSA-N 336.410 4.241 0 50 EIAA FC(F)c1nnc(N2CCC[C@@H]2C[C@H]2CCCc3ccccc32)o1 368387225 FYJABHBPRWYTBZ-ZIAGYGMSSA-N 333.382 4.486 0 50 EIAA CCS(=O)(=O)c1ccc(-c2ccc([C@H](C)N3CCCC3)cc2)s1 426632852 IOVORRUBBXYYDH-AWEZNQCLSA-N 349.521 4.366 0 50 EIAA CCn1cccc(NCc2cc(Cl)cc(C(F)(F)F)c2)c1=O 1875316964 LNLSODUHJUEJGI-UHFFFAOYSA-N 330.737 4.153 0 50 EIAA O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)N1CCCC1 115578 PFVMNXFAZUOYLN-UHFFFAOYSA-N 340.206 4.401 0 50 EIAA O[C@@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1ccc(Cl)cc1 392187 MELDCHYPEUNVCK-HXUWFJFHSA-N 341.862 4.117 0 50 EIAA C=Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 467024 MHIJVLORDYPGKD-UHFFFAOYSA-N 332.359 4.427 0 50 EIAA CSc1ccccc1NC(=O)Cc1ccc(Br)cc1 476318 FLPPWYGIQJCSCT-UHFFFAOYSA-N 336.254 4.352 0 50 EIAA CC[C@@H](C)c1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1 859898 PEAWJTZAACQMFH-CQSZACIVSA-N 327.424 4.399 0 50 EIAA O=C(NCCOc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 2284310 YOBZIQYBBYFYCE-UHFFFAOYSA-N 349.405 4.153 0 50 EIAA CCc1cc2c(=O)oc(-c3ccc(Br)cc3)nc2s1 2462243 KINHAYQGYGHGHH-UHFFFAOYSA-N 336.210 4.241 0 50 EIAA Cc1c(Cl)c(C(=O)N(C2CCCCC2)C2CCCCC2)nn1C 2778058 YTGBPKPFKVKDBO-UHFFFAOYSA-N 337.895 4.490 0 50 EIAA CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)O)c(C)c2oc1=O 3883070 LSTHDERFUSCPKL-CQSZACIVSA-N 346.423 4.385 0 50 EIAA biogenic CC(C)Cc1csc(NC(=O)/C=C/c2ccccc2)c1C(=O)O 4865530 LZBMIDTVNHHAQK-CMDGGOBGSA-N 329.421 4.297 0 50 EIAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1c(Cl)cccc1Cl 4953853 OQPSPSAJGFQTCQ-ZSOIEALJSA-N 336.149 4.477 0 50 EIAA Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)O)[C@@H](C)c2ccccc2)c1 5277191 CBSPWPMVKJUHTL-DOTOQJQBSA-N 325.408 4.137 0 50 EIAA O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CCCCC1 8567390 MRBPDWDVIIYBHI-HNNXBMFYSA-N 337.847 4.417 0 50 EIAA Cc1nn2c(=O)c(Cc3ccccc3)c(C)[nH]c2c1-c1ccc(F)cc1 9477179 WFEXBQPYVYXWBK-UHFFFAOYSA-N 347.393 4.036 0 50 EIAA COc1cc(OC)c(NC(=O)c2ccc(Cl)s2)cc1Cl 13326340 UEDROWWVXOBXLM-UHFFFAOYSA-N 332.208 4.324 0 50 EIAA O=C(O)c1cc(-c2ccccc2F)nc2onc(-c3ccccc3)c12 20605637 OXOGXLVDBGZIDF-UHFFFAOYSA-N 334.306 4.394 0 50 EIAA CCOC(=O)N1CCC(n2ccnc2-c2ccc(SC)cc2)CC1 71752480 YWBXLSKJIYAWBF-UHFFFAOYSA-N 345.468 4.065 0 50 EIAA Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)nn1 72436935 QSUAYSFPAOZSKU-UHFFFAOYSA-N 341.317 4.108 0 50 EIAA Cc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)s1 82107151 SCPFVHRSOFSEFR-INIZCTEOSA-N 344.480 4.093 0 50 EIAA Cc1nnc([C@@H](C)SCc2nn(-c3ccccc3)c3c2CCC3)o1 125454344 UIZGPPQNDRDBNA-GFCCVEGCSA-N 340.452 4.047 0 50 EIAA CC(=O)c1ccccc1NCc1nnc(-c2ccccc2Cl)o1 126818037 OAKFKKIWINRQAD-UHFFFAOYSA-N 327.771 4.205 0 50 EIAA Cn1nc(C2CCC2)cc1NC(=O)N(Cc1ccccc1F)C1CC1 153807846 SQEKWJWWYNIFMW-UHFFFAOYSA-N 342.418 4.023 0 50 EIAA CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2cnn(CC)c2)c1 299769908 KELSMOJQTDJQJQ-HXUWFJFHSA-N 348.450 4.188 0 50 EIAA CCc1ncoc1C(=O)N(C)[C@H]1CCCc2c(OC)ccc(Cl)c21 1336550211 KEWYDSZOYZYVOS-AWEZNQCLSA-N 348.830 4.049 0 50 EIAA C[C@H](NCCCc1nc2ccccc2s1)c1cccc2c1OCO2 2325870276 QHOBTJWDPWEESS-ZDUSSCGKSA-N 340.448 4.308 0 50 EIAA O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 438069 OTYJSOZASDZLEO-UHFFFAOYSA-N 348.349 4.409 0 50 EIAA COc1cc(-c2nc(-c3ccccc3Cl)no2)cc(OC)c1OC 614199 ZTDLETLZDZNJEV-UHFFFAOYSA-N 346.770 4.083 0 50 EIAA Cc1ccc(N2C(=O)CSC23CCCCC3)cc1Br 1099719 CUFLJZAOOFBKKU-UHFFFAOYSA-N 340.286 4.498 0 50 EIAA CCCCN(CCCC)C[C@H](O)COc1ccc2ccccc2c1 2665517 UVHTXGIKEBXGSW-FQEVSTJZSA-N 329.484 4.482 0 50 EIAA Fc1cccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)c1 2862289 QTHOMPLTMPUMBE-UHFFFAOYSA-N 330.775 4.312 0 50 EIAA CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CC)cc2)cc1 3002625 RMTKZRCEAAFKNV-UHFFFAOYSA-N 340.423 4.466 0 50 EIAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1F)CC(=O)N2 4488937 QSRDZEHTBMTLKG-CYBMUJFWSA-N 329.371 4.097 0 50 EIAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C 5043167 YZZLWRCPCIMEHR-DAUOMPHXSA-N 325.537 4.088 0 50 EIAA CC1(C)S[C@@H](c2cccc(Oc3ccccc3)c2)N[C@H]1C(=O)O 5304296 BBJUNDLJULMHLT-HOTGVXAUSA-N 329.421 4.046 0 50 EIAA COC(=O)c1c(NC(=S)Nc2cccc(C)c2)sc(C)c1C 7560708 ZHLNDEIJRLOYSK-UHFFFAOYSA-N 334.466 4.269 0 50 EIAA Cc1ccccc1NC(=O)c1nnn(-c2cc(Cl)ccc2C)c1C 8021840 VCXGWGDPKKYSTI-UHFFFAOYSA-N 340.814 4.098 0 50 EIAA Cc1c([C@H](C)NC(=O)NC(C)C)cnn1-c1cccc2ccccc12 12457669 OYDVYLKABFPNIK-AWEZNQCLSA-N 336.439 4.103 0 50 EIAA Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1 14961002 LZMOSYUFVYJEPY-UHFFFAOYSA-N 337.854 4.400 0 50 EIAA in-vivo Cn1cnc2ccc(NCCC(=O)C34CC5CC(CC(C5)C3)C4)cc21 30952866 HHODYWPWEWOJOS-UHFFFAOYSA-N 337.467 4.161 0 50 EIAA Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc4[nH]ccc4c3)c12 36360260 WGVNXXRBSWYHSS-UHFFFAOYSA-N 334.379 4.388 0 50 EIAA CCOCCn1cnc(-c2ccccc2)c1-c1ccnc(C(C)C)n1 65429448 QUHJJVBQLUTWOM-UHFFFAOYSA-N 336.439 4.167 0 50 EIAA CSCC[C@@H]1CC(=O)Nc2c1c(C(C)C)nn2-c1ccccc1 65461676 QFHIHEUXEADYTG-CYBMUJFWSA-N 329.469 4.175 0 50 EIAA CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@H](C)n2cncn2)o1 65527922 MQSOAXATFYCFFI-HNNXBMFYSA-N 347.422 4.225 0 50 EIAA Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)cc1O 71758792 WHLRKYCKQKDSBQ-GOSISDBHSA-N 337.463 4.494 0 50 EIAA FC(F)(F)c1ccccc1OCCn1nc(C2CC2)nc1C1CC1 181721371 ITZWSJLSKXKZPX-UHFFFAOYSA-N 337.345 4.131 0 50 EIAA Cc1nc([C@H]2CCCN2C(=O)CCc2ncc(C(C)(C)C)o2)cs1 193902365 IJBGOLUJPUEZOY-CQSZACIVSA-N 347.484 4.033 0 50 EIAA CC(C)(C)C[C@H](NC(=O)CCc1ccc(O)cc1)c1cccnc1 219390624 HPWXGTDORXRGRA-SFHVURJKSA-N 326.440 4.014 0 50 EIAA O=C(c1conc1-c1ccccc1)N1CCCC[C@@H]1c1nccs1 426445688 WIGXJSHYTJTIEJ-OAHLLOKOSA-N 339.420 4.166 0 50 EIAA Cc1cnc(CCCC(=O)Nc2cnn(CCC(C)C)c2C(C)C)o1 451164481 BVGATADYSTWXHA-UHFFFAOYSA-N 346.475 4.310 0 50 EIAA COc1cccc(N2CCC(NCCCc3ccccc3F)CC2)c1 824782154 LVILQFFPMJHAAX-UHFFFAOYSA-N 342.458 4.026 0 50 EIAA CN(CCCN1CCCCCC1)C(=O)c1ccc(-c2ccco2)cc1 952965912 SJNMJUQSOVVCRA-UHFFFAOYSA-N 340.467 4.285 0 50 EIAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccc(C(C)(C)C)cc3)C[C@H]2C1 1529172476 IGYHWJZCEAUKEU-TZRIAGMCSA-N 342.527 4.175 0 50 EIAA c1ccc(COCCCC2(c3nc(-c4nccs4)no3)CC2)cc1 1875271180 QEAFDKARPKWPEU-UHFFFAOYSA-N 341.436 4.222 0 50 EIAA CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2c[nH]nc2-c2cccc(F)c2)C1 2325875378 POYPRVZXGUGPBT-DZGCQCFKSA-N 329.419 4.160 0 50 EIAA O=C(Nc1cccc2cccnc12)c1ccccc1Br 196805 YGBJQMIGMVFQNZ-UHFFFAOYSA-N 327.181 4.250 0 50 EIAA O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1 341323 KQCGDUIWZNCAAH-UHFFFAOYSA-N 340.766 4.438 0 50 EIAA Cc1cccc(N2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)c1 341534 PSCZPJFXAKOFKV-UHFFFAOYSA-N 330.387 4.015 0 50 EIAA CC[C@@H](C)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 445504 CDBFFWTWKMYOMB-CYBMUJFWSA-N 343.423 4.478 0 50 EIAA Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 456893 YERRAIMZDMOMHY-UHFFFAOYSA-N 342.464 4.217 0 50 EIAA O=Cc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc12 465955 LUUBSIRHLTWNGQ-UHFFFAOYSA-N 346.308 4.111 0 50 EIAA CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 472819 NFAPLPULRBSOEO-VAWYXSNFSA-N 342.826 4.130 0 50 EIAA Cc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCC2)cc1 4254190 PUXWTCBYGAVDTM-UHFFFAOYSA-N 347.466 4.469 0 50 EIAA COc1ccc(NC(=O)c2sccc2Br)cc1Cl 4542013 ZFORGZZIWOBLSP-UHFFFAOYSA-N 346.633 4.425 0 50 EIAA CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 6010570 JDZAMXMKWJLERB-CQSZACIVSA-N 348.402 4.204 0 50 EIAA OCC1(CCCc2ccccc2)CCN(C2Cc3ccccc3C2)CC1 12704720 WYVZAELABXEAFX-UHFFFAOYSA-N 349.518 4.251 0 50 EIAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(F)ccc1F 13961313 FMTGYGCFCUXLCU-UHFFFAOYSA-N 334.753 4.072 0 50 EIAA CCC1(CC)Cc2cc(OC)c(OC)cc2[C@@H](c2ccccc2)N1 19205341 OCNMIKHELOBPHD-HXUWFJFHSA-N 325.452 4.498 0 50 EIAA biogenic c1ccc2c(CN3CCN(C4C5CC6CC(C5)CC4C6)CC3)c[nH]c2c1 22078081 MLBJSOYTMXIZIO-UHFFFAOYSA-N 349.522 4.110 0 50 EIAA COc1cccc2ccc(CN3CC[C@H](c4ccccc4F)C3)nc12 72480057 WSJPQTQNOUHHNR-INIZCTEOSA-N 336.410 4.372 0 50 EIAA CCN1C[C@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 91304393 TVGZKAMMYWXSDF-JOCHJYFZSA-N 349.522 4.173 0 50 EIAA CC(C)N(CCOC(=O)[C@H](c1cccs1)[C@H]1C=CCC1)C(C)C 96028071 WQQMRGJZJZVYOZ-WMZOPIPTSA-N 335.513 4.460 0 50 EIAA C[Si](C)(C)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816445 DDGPCGHQVGLGHU-UHFFFAOYSA-N 346.622 4.034 0 50 EIAA Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)cc12 170631063 LXNHWEMYAUOYTE-UGSOOPFHSA-N 346.446 4.187 0 50 EIAA Cc1cnccc1CNC(=O)CCc1ccc(-c2ccccc2)cc1 223599221 GAIDKWNGSJCCTM-UHFFFAOYSA-N 330.431 4.306 0 50 EIAA Clc1cccc2c1CCCCN2Cc1nc(-c2ccccn2)no1 680432520 BYXGTITWUGCDMO-UHFFFAOYSA-N 340.814 4.128 0 50 EIAA Cc1cccc(CN(C(=O)c2cc(=O)cc(C)o2)C2CCCCC2)c1 1506417560 AMNISYGRMOUTLA-UHFFFAOYSA-N 339.435 4.232 0 50 EIAA CO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccccc3F)CC1)C2 1704336748 MRVZKPLJLCKAAQ-NHCUHLMSSA-N 346.490 4.076 0 50 EIAA Cc1sc(CCN[C@H]2CCc3ncccc32)nc1-c1ccccc1 2325777789 DTVFGHQOLJGPNT-SFHVURJKSA-N 335.476 4.333 0 50 EIAA O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)[C@@H]1CC[C@@]2(C1)CC2(F)F 2325850828 IUUQDJOBFCKIKB-NXSYQRQQSA-N 343.736 4.119 0 50 EIAA CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 304167 AWKFGDYZKZTOKH-LFYBBSHMSA-N 328.799 4.340 0 50 EIAA aggregator Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2CCCCCC2)CCCC1 571508 IEBHUWAFPRHWNL-SFHVURJKSA-N 340.511 4.065 0 50 EIAA CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1c(C)cc(C)cc1C 12000630 JOTLPLUWOLHIRK-OAHLLOKOSA-N 329.469 4.220 0 50 EIAA Cc1cccc(C)c1Oc1ncccc1CNC1CCSCC1 12308096 KHYKGOFMHPXWMW-UHFFFAOYSA-N 328.481 4.476 0 50 EIAA Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 12429815 GAUQKQBCJZWGHO-OAHLLOKOSA-N 348.393 4.055 0 50 EIAA Clc1cccc(CN2CCC[C@H](c3nccn3CC3CC3)C2)c1 82096522 GUHLGSKPTXEWRA-KRWDZBQOSA-N 329.875 4.326 0 50 EIAA Fc1ccc(-c2nc(-c3ccnc(N4CCCCC4)c3)no2)cc1F 109568026 MKNZNKOHHOTSJQ-UHFFFAOYSA-N 342.349 4.067 0 50 EIAA CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@H]1c1ccccc1 170613904 NOVGUZRHIRXEDL-AWEZNQCLSA-N 335.190 4.133 0 50 EIAA C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(F)c(O)c(F)c2)C2CC2)o1 170651473 PUDSOADDYNRFPC-QMTHXVAHSA-N 347.361 4.192 0 50 EIAA COc1cc(SC)ccc1NC(=O)c1cccnc1C(F)(F)F 192972899 UONUCAKGOFXNPL-UHFFFAOYSA-N 342.342 4.083 0 50 EIAA O=C(Nc1c(Cl)cc(F)cc1Br)c1ccncc1F 193621207 JKISDVNVPLGEKW-UHFFFAOYSA-N 347.546 4.028 0 50 EIAA Cc1cc2c(N[C@@H](C)[C@H](c3ccccc3)N(C)C)ncnc2s1 225532975 GIMJXPDIWVJETJ-XJKSGUPXSA-N 326.469 4.103 0 50 EIAA CC(=O)SCCCCCCNc1cc(Cl)nc(C2CC2)n1 225533484 HFZXMEJQXNPVLJ-UHFFFAOYSA-N 327.881 4.259 0 50 EIAA Cc1ccc(CNC(=O)c2cc3cccc(C)c3nc2Cl)s1 240333274 FCQGDUQQVDMKNE-UHFFFAOYSA-N 330.840 4.497 0 50 EIAA O=C(CC1(O)CCCC1)N1CCC[C@H]1c1nc(C2CCCCC2)co1 371061512 GIEPQHQMBPJNME-KRWDZBQOSA-N 346.471 4.081 0 50 EIAA C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(C(F)F)nc1 850456247 CCJMGBHZYGNXAW-ZIAGYGMSSA-N 347.409 4.417 0 50 EIAA Cc1nn(C)c(C)c1CN(Cc1ccc(-c2cccnc2)cc1)C1CC1 952873153 WAZGYGDILKONMZ-UHFFFAOYSA-N 346.478 4.264 0 50 EIAA CC[C@H](NC[C@H](CO)Cc1ccccc1C)[C@H](C)Cc1ccccc1 2325841090 CJGKONLEQPNIAO-LSWJPFSZSA-N 339.523 4.393 0 50 EIAA Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 179839 ZHKIDRNEEXYPEE-UHFFFAOYSA-N 326.396 4.434 0 50 EIAA Cc1c(-c2ccccc2)[nH]c(-c2ccc(Br)cc2)[n+]1[O-] 389969 WLSVULFCBWHLIL-UHFFFAOYSA-N 329.197 4.053 0 50 EIAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(OC)c1 464812 LRTDNACQPCLWHX-ZDUSSCGKSA-N 342.464 4.336 0 50 EIAA O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2)cc1 2639562 DXWYFOAVIDNOBE-UHFFFAOYSA-N 347.370 4.247 0 50 EIAA CCOc1cc(NC(=O)c2c(F)cccc2F)ccc1OC(F)F 2794779 DFSWFAMLEBUPKH-UHFFFAOYSA-N 343.276 4.217 0 50 EIAA Cc1c(CC(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5235537 IZOOUGOSLDMECH-UHFFFAOYSA-N 328.364 4.081 0 50 EIAA CCCC[C@H]1CN(Cc2ccc(COC)o2)Cc2ccccc2O1 14978252 HNKGOEUQEUFEHD-KRWDZBQOSA-N 329.440 4.379 0 50 EIAA CC[C@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc(Br)cc1 16226121 DCGQUHABKZDLEP-TXEJJXNPSA-N 348.306 4.037 0 50 EIAA Cc1ccc([C@H](C)CCN(C)Cc2cc(-c3cccnc3)no2)o1 77354714 YFJUIGBUUQFECM-CQSZACIVSA-N 325.412 4.264 0 50 EIAA CCN(Cc1ccc(C)o1)C(=O)c1oc2cc(OC)ccc2c1C 91914503 CUVWIPYBIJYOFN-UHFFFAOYSA-N 327.380 4.314 0 50 EIAA CN(C)c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 170637472 LVAAWWYKLOMOOV-IAGOWNOFSA-N 329.831 4.084 0 50 EIAA Cc1c(C(=O)N2CCC(O)(c3ccccc3)CC2)oc2c(C)cccc12 185869270 ZRBBXTBHNOGBLA-UHFFFAOYSA-N 349.430 4.173 0 50 EIAA O=C(C[C@H]1CCCOC1)N1CCc2ccccc2[C@H]1Cc1ccccc1 193679526 JAJHHBWXKPDSJD-DENIHFKCSA-N 349.474 4.172 0 50 EIAA C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 245265814 IGJROBULCVXYHC-RVKKMQEKSA-N 345.483 4.224 0 50 EIAA c1ccc([C@@H]2[C@@H]3N2[C@@H](c2ccccc2)N2O[C@@]32c2ccccc2)cc1 252489076 JEKWBADSIIAEGZ-VRXJECTGSA-N 326.399 4.225 0 50 EIAA O=C(NC1(C(F)(F)F)CCCCC1)c1ccoc1Br 408514936 DLLPJTBORISRFA-UHFFFAOYSA-N 340.139 4.037 0 50 EIAA CCCSCc1nnc2sc(CCCc3ccccc3)nn12 1775972294 SWENOSHAUHRDJS-UHFFFAOYSA-N 332.498 4.004 0 50 EIAA O=C(CCc1cncs1)OCc1ccc(Oc2cccnc2)cc1 2325716336 NTCVQBFGAAYLJU-UHFFFAOYSA-N 340.404 4.006 0 50 EIAA O=C(C[C@H]1CCCC2(CCC2)O1)Nc1cncc(-c2nccs2)c1 2325784426 DHXVPGNXNCQSPM-OAHLLOKOSA-N 343.452 4.026 0 50 EIAA CCCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OCC 445798 GCBSZGUCSHDCEI-UHFFFAOYSA-N 347.436 4.339 0 50 EIAA CCCCc1nnc(NC(=O)Cc2cccc3ccccc23)s1 1903775 LWQFLJAFLHJUDL-UHFFFAOYSA-N 325.437 4.215 0 50 EIAA COCCCNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 2767883 SMHVYXWFEZTGMF-UHFFFAOYSA-N 340.448 4.038 0 50 EIAA Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C 2888453 YFPRLJLLVRWMSB-UHFFFAOYSA-N 343.370 4.431 0 50 EIAA Cc1ccc(O)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 3908265 SWLUMARMBCSTKV-UHFFFAOYSA-N 328.755 4.261 0 50 EIAA Cc1cccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 5102809 BWPUFBCMNCTUJY-UHFFFAOYSA-N 348.240 4.392 0 50 EIAA C[C@@H](O)CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8535089 QBGLJPYOLXCQPS-GFCCVEGCSA-N 340.250 4.043 0 50 EIAA Cc1ccc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)o1 11842838 XBJIRDRVRJOJNN-UHFFFAOYSA-N 333.859 4.059 0 50 EIAA O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(Cl)cc1 35476487 YSWRSIBTOJZCSQ-HNNXBMFYSA-N 344.798 4.438 0 50 EIAA c1ccc(-c2ncn(C[C@H]3CCCO3)c2-c2cccc3c2OCO3)cc1 65398489 BMNSNRBHKMHWRC-MRXNPFEDSA-N 348.402 4.125 0 50 EIAA CC(C)n1cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)cn1 65451500 OYZXYVDVGNBQCP-GOSISDBHSA-N 336.439 4.174 0 50 EIAA Cc1ccc(C[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2C)cc1 101152261 HGVYNGSVGNPDNN-CZUORRHYSA-N 341.838 4.325 0 50 EIAA CCc1ocnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(F)c(C)c1)C2 102183939 HQMSOVAHYVZQER-MUJYYYPQSA-N 342.414 4.235 0 50 EIAA CCOc1cc(C(F)(F)F)cc(NCc2cn(C(C)C)nc2C)n1 225431723 CILQCRIFYFSZSI-UHFFFAOYSA-N 342.365 4.197 0 50 EIAA Cc1nn(C)c(C)c1NC(=O)N1CCC(c2cccc(Cl)c2)CC1 281113600 TYOSCZJWPARXCK-UHFFFAOYSA-N 346.862 4.102 0 50 EIAA CCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 330027055 MLQODVJWIWIBCB-OAHLLOKOSA-N 339.395 4.054 0 50 EIAA Cc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)sc1C 470670315 UYDGVIXQFDWSLQ-SFHVURJKSA-N 342.508 4.102 0 50 EIAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(C3CC3)nn2)o1 676524959 ZAIYYLHFCOMGNG-MRXNPFEDSA-N 340.427 4.405 0 50 EIAA CC(C)C(=O)Nc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 827621757 NYHXGIOYYGZIEA-IBGZPJMESA-N 336.435 4.089 0 50 EIAA CCCCCc1nc(-c2cn(C)c3ccccc23)n([C@H]2CCOC2)n1 1772712934 VYBYKWVVZICKRE-HNNXBMFYSA-N 338.455 4.131 0 50 EIAA Oc1cc(C2CCN(Cc3ccccc3C(F)(F)F)CC2)ccn1 1772809174 OEMQIVUITSFYNQ-UHFFFAOYSA-N 336.357 4.186 0 50 EIAA COc1ccc([C@@H]2CCN(C(=O)[C@H]3CCCC34CC4)[C@H]2C)cc1F 1875298389 ZBMCFEPCZFMVJX-NUEKZKHPSA-N 331.431 4.119 0 50 EIAA CC(C)(C)C(=O)Nc1ccc(Nc2nccc(C(C)(F)F)n2)cc1 2325789348 KVUFYYSQXJDPBK-UHFFFAOYSA-N 334.370 4.317 0 50 EIAA Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 110793 CKSDOHFQQJFJLM-AWEZNQCLSA-N 343.398 4.188 0 50 EIAA Cc1ccccc1Cn1/c(=N/C(=O)C2CCCCC2)[nH]c2ccccc21 302156 PZFFWXQMDAZBEG-UHFFFAOYSA-N 347.462 4.334 0 50 EIAA O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCCC1 453873 GOQJOWTYGSFMRK-UHFFFAOYSA-N 349.409 4.305 0 50 EIAA CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc3c(c2)OCO3)cc1 474366 IKFWVQCINXTEQM-YRNVUSSQSA-N 337.419 4.042 0 50 EIAA CCn1c(SCc2ccccc2Cl)nnc1-c1ccccn1 523756 QAMJUKJMZSZHLF-UHFFFAOYSA-N 330.844 4.306 0 50 EIAA COc1ccc(NC(=S)Nc2c(C)cc(C)cc2C)cc1OC 621590 KMMHIDBLSDZRFI-UHFFFAOYSA-N 330.453 4.438 0 50 EIAA COc1cc(C=O)ccc1OCCCCOc1ccc(Cl)cc1 2985739 YQDRQPCLZFRXGF-UHFFFAOYSA-N 334.799 4.399 0 50 EIAA O=C(CSc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2 3382567 SYCRKAKUILJOHY-UHFFFAOYSA-N 337.400 4.299 0 50 EIAA CN(CCOC(=O)C(C)(c1ccccc1)c1ccccc1)C(C)(C)C 4673147 URWMMNKNCKPKJH-UHFFFAOYSA-N 339.479 4.266 0 50 EIAA CCc1ccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)cc1 9088309 SNNSDIGYWXNGCC-UHFFFAOYSA-N 345.406 4.481 0 50 EIAA FC(F)(F)c1cccc(-c2ccc(CNC[C@H]3CCCO3)o2)c1 10434614 MTDDKIWXTNQNIX-CQSZACIVSA-N 325.330 4.234 0 50 EIAA Cc1cccc(NC(=O)CCC2CCN(C(=O)C3CCCC3)CC2)c1 12314546 BSGILHIJMAJGSB-UHFFFAOYSA-N 342.483 4.143 0 50 EIAA Cc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)s1 12712336 VJCRZIHTZXJEHK-IBGZPJMESA-N 333.472 4.013 0 50 EIAA Cc1noc(C)c1Cc1ccc(C(=O)Nc2cc(F)ccc2F)o1 13641030 HCEMGSSESOBRNB-UHFFFAOYSA-N 332.306 4.006 0 50 EIAA CCc1c(-c2nnc(S)n2CCc2ccccc2)csc1C 17067596 OVWUXGDKRGHJQB-UHFFFAOYSA-N 329.494 4.409 0 50 EIAA COc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccccn2)cc1 28291428 YGLLQSYNLTZNLK-UHFFFAOYSA-N 336.366 4.076 0 50 EIAA C(=C/c1ccco1)\CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 55271624 FUYRNMLVVMHVHB-GORDUTHDSA-N 348.402 4.119 0 50 EIAA c1ccc(-c2ncn(CCCc3cccnc3)c2[C@H]2CCOC2)cc1 65371504 YASCXQJHADNWKU-IBGZPJMESA-N 333.435 4.082 0 50 EIAA Oc1cc(CC[C@H]2CCCCN2)cc(-c2cnc3ccccc3n2)c1 71614568 VQPGATAXBIXRMZ-QGZVFWFLSA-N 333.435 4.077 0 50 EIAA Cc1cccc(NC(=O)N2CCCC[C@@H]2CCn2ccnc2C)c1C 72168859 WLNILYIKDIWUMT-GOSISDBHSA-N 340.471 4.285 0 50 EIAA CCc1noc(C)c1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 75476642 DJGIFPANLVHVLZ-UHFFFAOYSA-N 336.794 4.143 0 50 EIAA O=C(CCC1CCN(c2nccs2)CC1)Nc1ccccc1Cl 95506332 VWNNOMMURXYAJI-UHFFFAOYSA-N 349.887 4.432 0 50 EIAA C[C@H]1CCC[C@H](C)N1CC(=O)NC(c1ccccc1)c1ccccc1 96027623 VAIZWCXLYIRZSI-ROUUACIJSA-N 336.479 4.155 0 50 EIAA CCN(CC)C(=O)c1ccc(-c2ccccc2-c2nnc(C)o2)cc1 96148950 PYEWAHDOZHTFMT-UHFFFAOYSA-N 335.407 4.194 0 50 EIAA Cc1c(Cl)cccc1N1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O 100559953 XJFOGXZKJDUBSP-ZDUSSCGKSA-N 348.229 4.424 0 50 EIAA Cc1cc(Br)ccc1N(C)C(=O)c1ccc(Cl)cn1 119273030 ONXSTZGUJOFXIP-UHFFFAOYSA-N 339.620 4.083 0 50 EIAA O=C(Nc1ccc(-c2nccs2)cc1)c1cc(-c2cccnc2)on1 119787796 NRHOXLGKPMBYHH-UHFFFAOYSA-N 348.387 4.112 0 50 EIAA CC(C)c1cccc(CSc2nnc(NCC(F)(F)F)s2)n1 123111989 AYBQDDJNPRMCEB-UHFFFAOYSA-N 348.419 4.323 0 50 EIAA Cc1ccc(CS(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)c(F)c1 170613292 CDQHRLTZQKZPEC-ZDUSSCGKSA-N 347.411 4.061 0 50 EIAA Cc1ncsc1C(=O)N(C)c1ccc(OCc2ccccc2)cc1 187934455 DYIZOQABRGGZSA-UHFFFAOYSA-N 338.432 4.307 0 50 EIAA Cc1cc(C(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)sc1C 272300781 XGPOZQFQJQJPCD-CYBMUJFWSA-N 329.343 4.213 0 50 EIAA COc1ccc(CSc2nnc(-c3ccccc3Cl)o2)cn1 408513082 ZWQJIUZCJZRKFE-UHFFFAOYSA-N 333.800 4.086 0 50 EIAA Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2n1 108976 PGTFNOFNCGJFDD-UHFFFAOYSA-N 331.828 4.401 0 50 EIAA CCc1cc2c(=O)c(Oc3ccc(OC)cc3)coc2cc1OC 310578 BTSDOCRKKWUHSI-UHFFFAOYSA-N 326.348 4.165 0 50 EIAA c1ccc(Cn2ccnc2SCc2nnc(-c3ccccc3)o2)cc1 614212 BOAATBNFDPLCCW-UHFFFAOYSA-N 348.431 4.274 0 50 EIAA CN(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 1067214 LLJYOCMUFJQKRK-UHFFFAOYSA-N 336.416 4.277 0 50 EIAA O=C(O)/C=C/c1c(-c2ccc(F)cc2)nc2sc3ccccc3n12 2510959 PWDLYGKBHAVKLF-MDZDMXLPSA-N 338.363 4.453 0 50 EIAA Cc1ccoc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 2532395 VYOCYTLSSGROFR-UHFFFAOYSA-N 329.208 4.022 0 50 EIAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C)cc(C)c1 7759906 BECHSXCPYUCIDO-UHFFFAOYSA-N 335.407 4.016 0 50 EIAA C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(C(C)(C)C)cc1 10111911 LURAPBBGKUNDAO-IFXJQAMLSA-N 339.435 4.001 0 50 EIAA Cc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1C 11690138 JHZRWVANJCDDMI-UHFFFAOYSA-N 334.423 4.062 0 50 EIAA CCCCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 13331454 JLVCLMNZTNZLAY-UHFFFAOYSA-N 340.442 4.131 0 50 EIAA COc1ccc(NC(=S)Nc2ccc3nc(C)c(C)nc3c2)cc1 13479030 LGJIMFVXZRFJPT-UHFFFAOYSA-N 338.436 4.064 0 50 EIAA O=C(Nc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 19372989 BYZBNLVKTLXVTR-UHFFFAOYSA-N 342.442 4.497 0 50 EIAA c1ccc(-c2ncn(CCSc3ccccn3)c2-c2ncc[nH]2)cc1 67649728 TVBGBSCIVFUSKH-UHFFFAOYSA-N 347.447 4.128 0 50 EIAA Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CC[C@H](O)C2)c1 72469417 NLASTAVKDDIERN-FQEVSTJZSA-N 332.447 4.085 0 50 EIAA C[C@H](NC(=O)c1ccc2ncccc2c1)c1cccc(OC(F)F)c1 121291219 YMERFRGDNNKHIY-LBPRGKRZSA-N 342.345 4.327 0 50 EIAA COc1ccc(NC(=O)c2cncc(-c3cccc(C)c3)c2)c(C)n1 159323922 BKYYMPHJLJYIOA-UHFFFAOYSA-N 333.391 4.021 0 50 EIAA C[C@@H](Sc1cccc(O)c1)C(=O)N1CCC[C@@H]1c1cccs1 185683316 RINRAXJFCGPUTC-IUODEOHRSA-N 333.478 4.298 0 50 EIAA CC(C)(O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)cc2)C1 222691964 IBIMEEZMKICJEX-KRWDZBQOSA-N 341.426 4.116 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 250859415 UITNBJRZYAEYLY-LBCMOLISSA-N 344.495 4.386 0 50 EIAA Cc1nnc(-c2ccc(NC(=O)c3cccc(Cl)c3C)cc2)o1 252491737 LRSMKWHNNXRLBX-UHFFFAOYSA-N 327.771 4.259 0 50 EIAA O=C(/C=C/c1ccc2c(c1)CCO2)N1CCCCC[C@H]1c1ccco1 303881512 QZXGKTHJXRIKKB-LNENJAERSA-N 337.419 4.372 0 50 EIAA CC[C@@H](C)n1ncc(N[C@H](C)c2cccc(N3CCOCC3)c2)c1C 477930553 WQWHJRZUJPZFAD-HZPDHXFCSA-N 342.487 4.172 0 50 EIAA O=C(NCCc1ccccc1Cl)NC1CCC2(CC1)CC2(F)F 660492202 ZJDNVCXHZTVDQH-UHFFFAOYSA-N 342.817 4.150 0 50 EIAA Cc1cnn(C2CCCC2)c1NC(=O)c1cnoc1-c1ccccc1 1529189818 ZFTLOELDZZDBBU-UHFFFAOYSA-N 336.395 4.214 0 50 EIAA Oc1ccc(-c2ccc(-c3ccccc3)nn2)cc1OC(F)(F)F 1772706312 RJVSYCVBPSBPIJ-UHFFFAOYSA-N 332.281 4.415 0 50 EIAA CC(C)c1ccc(C(=O)N(C)[C@H]2CCN(CC3CCCC3)C2)s1 1875335109 SLVXDZXILQBNQB-INIZCTEOSA-N 334.529 4.208 0 50 EIAA CCOC(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 293755 LWFQOCDKPRJZQE-SFHVURJKSA-N 339.435 4.254 0 50 EIAA Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1 451090 RFRWUXTTZJJLAD-UHFFFAOYSA-N 338.354 4.141 0 50 EIAA CCC(=O)c1ccc(OCC(=O)c2ccc(Br)cc2)cc1 453312 PNNMXDUDOPVFKQ-UHFFFAOYSA-N 347.208 4.304 0 50 EIAA COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCCC2 483601 QWNHVDFNLAZCRO-UHFFFAOYSA-N 347.411 4.195 0 50 EIAA Cc1ccccc1-c1nn2c(-c3cccc(Cl)c3)nnc2s1 530259 CUPCPIFDOCITHO-UHFFFAOYSA-N 326.812 4.482 0 50 EIAA Cc1ccccc1OCC(=O)Nc1ccccc1N1CCC(C)CC1 558374 DXEUTISKCHHBOU-UHFFFAOYSA-N 338.451 4.249 0 50 EIAA C[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1 1299836 MIAFUJCNSRPMOS-LLVKDONJSA-N 342.399 4.473 0 50 EIAA COc1ccc(CCC(=O)Nc2ccc(C)cc2Br)cc1 2739159 ALGORDVWPVVRTM-UHFFFAOYSA-N 348.240 4.337 0 50 EIAA O=C(Nc1ccc(Cl)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 3549200 WGQXBYDIESUMIT-KRWDZBQOSA-N 331.799 4.150 0 50 EIAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccn1 4757469 YPESALBBIHGFPV-UHFFFAOYSA-N 331.734 4.090 0 50 EIAA O=C(Nc1ccccc1)C(Cc1ccccc1)C(=O)Nc1ccccc1 4820670 CLKSGEJRLWYYAB-UHFFFAOYSA-N 344.414 4.123 0 50 EIAA Cc1ccc(C(=O)OCc2ccccc2)cc1NC(=O)c1ccco1 4868663 PQMJKAWKJFAEDD-UHFFFAOYSA-N 335.359 4.197 0 50 EIAA S=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 4955274 SDCKTNYEQQLVGV-UHFFFAOYSA-N 344.568 4.388 0 50 EIAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H](C)C[C@@H](C)C1 5611031 MVPZIIXKEANFCY-UTUOFQBUSA-N 330.255 4.265 0 50 EIAA O[C@]12CCCC[C@H]1[C@H](c1cccc(OCc3ccccc3)c1)NCC2 5683306 NXWLYGWIEVOKFF-FKBYEOEOSA-N 337.463 4.221 0 50 EIAA c1ccc(-c2ncc3c(n2)CCC[C@@H]3NC2CCSCC2)cc1 12058243 WCWFWIROLSYYDJ-KRWDZBQOSA-N 325.481 4.006 0 50 EIAA Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)n1 12436217 WWIKCNRGTIBZRK-LJQANCHMSA-N 337.467 4.230 0 50 EIAA C[C@H]1CN(CCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 20167327 LBXLFNZMNYGFSZ-GJZGRUSLSA-N 333.859 4.371 0 50 EIAA O=C(NCCc1cccc(Cl)c1)Nc1ccc(Cl)cc1F 20437157 GBBMILHTQQNUBB-UHFFFAOYSA-N 327.186 4.497 0 50 EIAA Cc1c(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)cnn1C1CCCC1 194306910 OROKZWVVACZXMQ-GFCCVEGCSA-N 342.447 4.118 0 50 EIAA O=C(O)c1ccc(C(=O)Nc2c(F)cccc2Oc2ccccc2)o1 238041238 DWQZSRPOZRPZIN-UHFFFAOYSA-N 341.294 4.162 0 50 EIAA Clc1cccc([C@H](NCc2nnc3n2CCCC3)C2CCCC2)c1 253418057 HYTJCHNDOCSCBL-LJQANCHMSA-N 344.890 4.289 0 50 EIAA CC(C)=C1[C@H]2CC[C@H]1C1=C2[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 257356241 GZAQDHBYALEXGZ-GEVUUKNCSA-N 345.442 4.115 0 50 EIAA C[C@@H](C(=O)Nc1cccc2cnccc12)[C@H]1OCCc2sccc21 295508959 USETZWGLZHRZTL-KZULUSFZSA-N 338.432 4.185 0 50 EIAA CCN(C(=O)c1ccc(-c2cncc3ccccc23)cc1)[C@@H](C)CCO 426492810 MQTDGKIANXFYCU-INIZCTEOSA-N 348.446 4.135 0 50 EIAA CCCc1cc(CN(C)C(=O)c2ccc(-c3ccnc(C)c3)cc2)n[nH]1 426707188 KVIRKGZFWGELMI-UHFFFAOYSA-N 348.450 4.005 0 50 EIAA Cc1cc(CNc2cnc3n[nH]c(C)c3c2)c(OC(F)F)cc1C 463253017 ACQBJGCAOTYJSO-UHFFFAOYSA-N 332.354 4.097 0 50 EIAA C[C@H](CNC(=O)c1ccccc1)c1noc(C2CCCCCC2)n1 680779502 JAQHCPWWATXLRY-CQSZACIVSA-N 327.428 4.041 0 50 EIAA C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cnc(Cl)s1 864095248 ARLONAZTQMCYHB-VIFPVBQESA-N 344.267 4.353 0 50 EIAA Cc1cccc(COc2cccc(Nc3cc(Cl)nc(N)n3)c2)c1 1458199431 FVRZMCDDNREXFE-UHFFFAOYSA-N 340.814 4.343 0 50 EIAA CCCCn1ncc(C)c1NC(=O)c1oc2cc(OC)ccc2c1C 1506408529 MWDANIXXFLWZQH-UHFFFAOYSA-N 341.411 4.307 0 50 EIAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)CCc1cccnc1 1506412452 DMBNZWRZSCQRMT-UHFFFAOYSA-N 348.450 4.271 0 50 EIAA O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)[C@@H]1CC[C@]2(C1)CC2(F)F 2325850829 IUUQDJOBFCKIKB-UOWDBTKRSA-N 343.736 4.119 0 50 EIAA CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OC)cc1 141426 NSSWBUYEMMWNHD-UHFFFAOYSA-N 336.391 4.472 0 50 EIAA COc1ccc(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 242368 DJHWYSLEFCIBGB-UHFFFAOYSA-N 345.442 4.467 0 50 EIAA COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 425667 ICJUHGIZVBAOAC-UHFFFAOYSA-N 328.755 4.256 0 50 EIAA COc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2C=O)cc1 732180 RUTIMSSJJYBYRD-UHFFFAOYSA-N 330.746 4.153 0 50 EIAA CC(C)CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 2771491 CVYICWMTJASGBS-NSHDSACASA-N 338.300 4.487 0 50 EIAA O=C1c2ccccc2C(=O)N1c1cccc(OCc2ccccc2)c1 4826839 KEXVEOJPANROJT-UHFFFAOYSA-N 329.355 4.066 0 50 EIAA in-vivo OCCN(Cc1ccccc1)CC(c1ccccc1)c1ccccc1 5649958 OXCJCYAXLRPQRW-UHFFFAOYSA-N 331.459 4.313 0 50 EIAA CC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 7983054 DGBJULKBOJLXED-UHFFFAOYSA-N 340.423 4.094 0 50 EIAA O=C(Nc1ccccc1Cl)C1CCN(Cc2ccccc2)CC1 16607071 FFNYDMWGIIEMOV-UHFFFAOYSA-N 328.843 4.191 0 50 EIAA CC(C)c1cc(CNC(=O)CSCc2ccccc2Cl)no1 55282605 IRQFJJPZHJQAIX-UHFFFAOYSA-N 338.860 4.001 0 50 EIAA CCC[C@@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67983134 NKQUFECKRIYCNV-GFCCVEGCSA-N 334.366 4.205 0 50 EIAA O=C(NCc1ccccn1)Nc1c(F)cc(F)cc1-c1ccccc1 122842759 AAARLZJDNBGIID-UHFFFAOYSA-N 339.345 4.349 0 50 EIAA C[C@H](CN(C)C(=O)c1ccccc1)c1nc(-c2cccn2C)cs1 182177880 KDONOMCVNUKCMS-CQSZACIVSA-N 339.464 4.024 0 50 EIAA COc1ccc2[nH]cc(C3CCN(C(=O)c4coc(C)c4)CC3)c2c1 188755548 HRWDNSBJBSVSLS-UHFFFAOYSA-N 338.407 4.098 0 50 EIAA Clc1ccc2nccc(N3CC[C@@H](OCc4ccncc4)C3)c2c1 192907203 AXKCDIOOULXQDC-MRXNPFEDSA-N 339.826 4.079 0 50 EIAA C[C@H](c1ccccc1)N(C)C(=O)C1(c2cccc(F)c2)CCOCC1 193023962 UGZXSPXGIHQQDH-MRXNPFEDSA-N 341.426 4.094 0 50 EIAA c1ccc([C@H]2N3[C@@H]([C@H]3c3ccccc3)[C@@]3(c4ccccc4)ON23)cc1 252489075 JEKWBADSIIAEGZ-SJHFPJDLSA-N 326.399 4.225 0 50 EIAA Cc1ncsc1CN(C)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 253429144 PHAXPMIMKBFZEC-HOCLYGCPSA-N 347.459 4.068 0 50 EIAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 257346352 YQMXIAABFQDHTC-JRINFJIASA-N 334.500 4.322 0 50 EIAA CC(C)(C)c1ccc2oc(CNC(=O)c3cccn3C3CC3)nc2c1 299767849 WFBYLHWAENMTMV-UHFFFAOYSA-N 337.423 4.192 0 50 EIAA O=C(c1cc(O)c2ccccc2c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 888828131 USVDCHIRMXZTPY-JTSKRJEESA-N 344.414 4.092 0 50 EIAA COCc1ccnc(NC(=O)N2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 931833185 ZKVRRYIRSBPMBQ-IBGZPJMESA-N 349.434 4.153 0 50 EIAA CCC(C)(C)c1ccc(NC(=O)NCc2nc(C(C)(C)C)n[nH]2)cc1 1466428568 ZEDOPNDWLAWFPZ-UHFFFAOYSA-N 343.475 4.112 0 50 EIAA Cc1cccc(-c2ccccc2C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 1529095248 QFDUZHMCHDOOEH-FGYAAKKASA-N 349.474 4.284 0 50 EIAA Cc1ccc(SCc2nc(O)c3c(n2)COC32CCC2)cc1C 1875280698 XPTKEWRVZKJSJA-UHFFFAOYSA-N 328.437 4.001 0 50 EIAA O=C(NC[C@@H]1[C@@H]2CCOC[C@H]21)c1cc(-c2ccccc2)ccc1Cl 1875312252 JNGIEQXYPCKVAL-CGTJXYLNSA-N 341.838 4.019 0 50 EIAA C[C@H](NC(=O)Nc1cccc2c1[C@H](C)CC2(C)C)C1CCN(C)CC1 1875319966 AKQXWXNMXGVARF-CABCVRRESA-N 343.515 4.323 0 50 EIAA O=C(COC1CCCCC1)OCCCCCn1cnc2ccccc21 2325729139 ZNVAYEYRNLJTTE-UHFFFAOYSA-N 344.455 4.099 0 50 EIAA Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)SCCCn1ccnc1 2325760032 SSSOZNCLZKBRBP-CQSZACIVSA-N 327.453 4.068 0 50 EIAA O=C(NCc1ccccc1-c1ccncc1)c1cccc(O)c1Cl 2325865125 NWVANHFFRPBRJR-UHFFFAOYSA-N 338.794 4.038 0 50 EIAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@@H](C)C(C)=O 301959 ZXJQVAYDRXRVAL-AWEZNQCLSA-N 336.387 4.379 0 50 EIAA Cc1cccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)c1 2885204 OKSJWMZYQVZCDD-UHFFFAOYSA-N 339.370 4.146 0 50 EIAA CCCCCOC(=O)CSc1nnc(-c2ccccc2Cl)o1 4990027 WBTQWCFGHRTOIR-UHFFFAOYSA-N 340.832 4.216 0 50 EIAA Clc1ccc(Br)cc1-c1nc(-c2ccccn2)no1 5060119 NETQNPXXDNONAE-UHFFFAOYSA-N 336.576 4.215 0 50 EIAA COc1cc(CNCc2cc(C)cc3c(C)c(C)[nH]c23)cc(OC)c1 12074266 YRZYNDXKXCTHMW-UHFFFAOYSA-N 338.451 4.400 0 50 EIAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)C1CCC1 12572769 WNYBJMMGFBMSMT-KRWDZBQOSA-N 337.467 4.111 0 50 EIAA COc1ccc(Br)cc1CN1CCc2ccccc2C1 19536834 WZWPWWLDPLFYQQ-UHFFFAOYSA-N 332.241 4.016 0 50 EIAA COc1cccc(Cn2ccc(-c3cccc(-c4ncccn4)c3)n2)c1 20560919 CFJZUTFZDJHWSC-UHFFFAOYSA-N 342.402 4.064 0 50 EIAA O=C(CSCc1ccccc1Cl)N(Cc1cccnc1)C1CC1 55341506 FPICUWWFYRVAQM-UHFFFAOYSA-N 346.883 4.159 0 50 EIAA CSc1ccccc1NC(=O)CCC(=O)NCCC1=CCCCC1 55413438 XXXIJNZZTQLENC-UHFFFAOYSA-N 346.496 4.134 0 50 EIAA COc1ccc(OCCN2CCC[C@@H]2c2cc(C(C)C)on2)cc1 65459492 UUQHSVTYLYJYFM-GOSISDBHSA-N 330.428 4.023 0 50 EIAA CCCn1ncc(C(=O)N(Cc2ccc(C)cc2)C2CCCC2)c1C 91365212 SPKOAPZSYQVRRX-UHFFFAOYSA-N 339.483 4.495 0 50 EIAA Clc1ccc(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)nn1 91808035 GAAWPSIJJXQLTE-AWEZNQCLSA-N 337.814 4.077 0 50 EIAA O=C(CCc1ccsc1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 141436174 GBEWPNVSRPBGEL-INIZCTEOSA-N 341.436 4.047 0 50 EIAA CCc1ccc([C@H]2COCCN2C[C@@H]2CCC3(CCCCC3)O2)o1 170604680 XSLFRLVTTYVSDH-ZWKOTPCHSA-N 333.472 4.097 0 50 EIAA Cc1ccc(SCC(=O)N(Cc2ccccn2)C(C)(C)C)cc1 170607564 DDIJKUNXDNQCCA-UHFFFAOYSA-N 328.481 4.309 0 50 EIAA Cc1ccc(CN[C@H]2CCCNc3ccccc32)c(N2CCCC2)n1 170615555 QELGPGADFYGZIH-FQEVSTJZSA-N 336.483 4.027 0 50 EIAA CCn1ncc2ccc(N[C@@H]3CCCOc4ccc(OC)cc43)cc21 182963855 GWQXAXNSTKCAAJ-GOSISDBHSA-N 337.423 4.391 0 50 EIAA Cc1noc(C)c1CC(=O)N1CC2(CCCC2)c2cccc(Cl)c21 192231635 OSZNVHVAAKYLBP-UHFFFAOYSA-N 344.842 4.346 0 50 EIAA Clc1ccc(-c2csc(CN[C@@H]3CCN4CCC[C@H]4C3)n2)cc1 245289830 FKLACJKOWPDBLI-CVEARBPZSA-N 347.915 4.180 0 50 EIAA Cc1ccc(N[C@@H](c2ccccc2)c2nc[nH]n2)cc1C(F)(F)F 675906134 WTOILAPBQTXOTJ-HNNXBMFYSA-N 332.329 4.333 0 50 EIAA C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)c2cncs2)C1 822416778 MCZUBHAJOYZUIM-NSHDSACASA-N 335.860 4.285 0 50 EIAA C[C@H](c1ccncc1)N(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 952965839 SDYMDUNUBQFRJM-CYBMUJFWSA-N 326.831 4.318 0 50 EIAA COc1ccc2c(c1)N(C(=O)c1cc(C(C)C)ccc1O)C[C@@H]2C 1875335851 JHBWLNFSUNWCPZ-ZDUSSCGKSA-N 325.408 4.288 0 50 EIAA Cc1nc2sc(C(=O)N(C)c3ccccc3)c(N)c2c(C)c1C 109081 RMMYNKLADUUIPD-UHFFFAOYSA-N 325.437 4.080 0 50 EIAA COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1Cl 128521 IAVVHZPIVCCHRZ-UHFFFAOYSA-N 326.179 4.263 0 50 EIAA COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)c(OC)c1 205106 NREFBVDOLLBVKK-UHFFFAOYSA-N 338.407 4.065 0 50 EIAA O=C(Nc1ccc(Br)cn1)c1cccc(Cl)c1Cl 260828 JDKXHJUZKLLDSA-UHFFFAOYSA-N 346.011 4.403 0 50 EIAA O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCOCC1 343169 NHNVDTFKTKGEEU-UHFFFAOYSA-N 347.867 4.105 0 50 EIAA Cc1cc(=O)oc2cc(NC(=S)NCCC3=CCCCC3)ccc12 611117 QJAYTEYWMSJYDF-UHFFFAOYSA-N 342.464 4.278 0 50 EIAA Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1Cl 1187377 HFXJUIQCMSJOOL-CQSZACIVSA-N 332.812 4.286 0 50 EIAA CCN(CC)C(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 1399048 KRJYYIJLBNHXMF-UHFFFAOYSA-N 326.440 4.025 0 50 EIAA C=CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C=C)cc2)cc1 2571912 FHLPGTXWCFQMIU-UHFFFAOYSA-N 336.387 4.195 0 50 EIAA O=C(Nc1cccc(-c2noc(-c3ccco3)n2)c1)c1cccs1 6697592 ULKGFTYGYOUXEJ-UHFFFAOYSA-N 337.360 4.310 0 50 EIAA O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cccs1 13552132 DFZXQLZQAFJJIH-UHFFFAOYSA-N 345.493 4.320 0 50 EIAA Cc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCC(C)CC2)cc1 15860270 IOXDFMDPZWMSQE-LJQANCHMSA-N 340.467 4.099 0 50 EIAA Cc1cc(CNC(=O)[C@@H](C)N(C)C)c2[nH]c(-c3ccccc3)c(C)c2c1 71735826 LUYNWRUAOGWKPA-MRXNPFEDSA-N 349.478 4.018 0 50 EIAA CN(CC(C)(C)CO)C(=O)Nc1ccccc1Oc1ccc(F)cc1 97634933 HOOLYFVKEFRPDU-UHFFFAOYSA-N 346.402 4.100 0 50 EIAA C[C@H]1CSc2ccccc2N1C(=O)c1csc([C@@H]2CCCO2)n1 122201006 YYSOTDVTGCVJOR-FZMZJTMJSA-N 346.477 4.136 0 50 EIAA c1nc(NCCCOC2CCCCC2)c2c3c(sc2n1)CCC3 170101956 OBEASJZNKQKAES-UHFFFAOYSA-N 331.485 4.331 0 50 EIAA O=C(Cc1cccc(Cl)c1)Nc1nc(-c2ccncc2)cs1 202487803 VPCDYIIPYYCELU-UHFFFAOYSA-N 329.812 4.040 0 50 EIAA COc1cccc([C@H]2CCCN2Cc2cc(CN(C)C)cs2)c1 215409132 WGYRJHAHDNXZBT-LJQANCHMSA-N 330.497 4.155 0 50 EIAA Cc1cccc(C)c1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O 239339265 LXMXXHOFCGOTQV-IPMKNSEASA-N 333.431 4.377 0 50 EIAA C[C@H]1C[C@@H](C)C[C@H](CCN(C)C2CCN(C3CCOCC3)CC2)C1 242339205 ZFWGKUIBXXMISA-BWTSREIZSA-N 336.564 4.024 0 50 EIAA Cc1nc(C2CC2)oc1C(=O)N(C)c1nc2cc(Cl)ccc2s1 333302358 TVUWYFHBRKUHHJ-UHFFFAOYSA-N 347.827 4.400 0 50 EIAA CSCc1ccc(-c2ccc([C@@H](C)N3CCOCC3)cc2)nc1 426658502 QNBPNVWXXZIGMJ-OAHLLOKOSA-N 328.481 4.005 0 50 EIAA C[C@H](c1nc2ccccc2s1)N(C)Cc1ccsc1C(=O)O 652397095 SSXVXARPOUFPEA-SNVBAGLBSA-N 332.450 4.249 0 50 EIAA CC(C)(C)C1CCC(CC(=O)O)(N2Cc3ccccc3C2=O)CC1 950756013 ALQBLXZNJYFJDD-UHFFFAOYSA-N 329.440 4.092 0 50 EIAA Cc1ccc(-c2ccc(C(=O)N(C)CCN(C)C3CCCC3)cc2)o1 952976090 MZNDGVDNLHZLLJ-UHFFFAOYSA-N 340.467 4.201 0 50 EIAA CC[C@H]1c2ccccc2CCN1C(=O)c1cnn(CC2CCCC2)c1 1444142973 ZEZVKVPDHOHJHR-FQEVSTJZSA-N 337.467 4.223 0 50 EIAA CC(C)(C)c1ccc2oc(N3CCO[C@H](c4cccnc4)C3)nc2c1 1857680565 PMISWGHMWZZCBG-SFHVURJKSA-N 337.423 4.098 0 50 EIAA Nc1cc(Cl)ncc1CN1C[C@@H](c2ccccc2)c2ccccc21 1875342091 XGIRTBPCEOWXQR-KRWDZBQOSA-N 335.838 4.469 0 50 EIAA COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(C)=O)ccc32)cc1 102304 KDDORHXQXXHQRZ-UHFFFAOYSA-N 337.375 4.075 0 50 EIAA CCOC(=O)c1cc(CC)sc1NC(=O)c1cc2ccccc2o1 150298 QLBJXSIZJNOABB-UHFFFAOYSA-N 343.404 4.486 0 50 EIAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1 250149 PTQFDKGYODRCCI-UHFFFAOYSA-N 344.773 4.373 0 50 EIAA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 452425 JOTGDJZLNAFHQR-UHFFFAOYSA-N 343.210 4.259 0 50 EIAA COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC 461834 KFEUXNQOSMJZMA-UHFFFAOYSA-N 349.814 4.153 0 50 EIAA Clc1ccc(Cn2ncc3c(NCc4ccccc4)ncnc32)cc1 521039 GTVZIVQRYYSPKE-UHFFFAOYSA-N 349.825 4.140 0 50 EIAA CC(C)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 613441 GZJADIFHWXTIIX-QGZVFWFLSA-N 340.448 4.252 0 50 EIAA Clc1ccc(Br)cc1-c1nc(-c2cccnc2)no1 621149 IJVXETLTSWVSBS-UHFFFAOYSA-N 336.576 4.215 0 50 EIAA O=C(Nc1ccc(Cn2ccnc2)cc1)c1cccc(C(F)(F)F)c1 1428807 GOSIUSLNSFRIHF-UHFFFAOYSA-N 345.324 4.203 0 50 EIAA CCn1cc(CNC(=O)c2sc3ccccc3c2Cl)c(C)n1 2760808 IWVBSUMPWQSTDJ-UHFFFAOYSA-N 333.844 4.010 0 50 EIAA COc1cc2c(cc1NC(=O)c1c(C)noc1C)oc1ccccc12 2872710 LTPQRIMIXMDYAA-UHFFFAOYSA-N 336.347 4.452 0 50 EIAA Cc1cc(C)cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 3565942 RUNKPXZMYCWRDG-IBGZPJMESA-N 325.408 4.114 0 50 EIAA O=C(CSc1ccc(F)cc1)Nc1ccccc1OC(F)F 4841073 BDTDXGVNUUCALT-UHFFFAOYSA-N 327.327 4.158 0 50 EIAA Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)c2ccco2)o1 4851542 JBZNROJDQFGXJN-CYBMUJFWSA-N 326.377 4.234 0 50 EIAA Cc1ccc(C(=O)N/C(=C/c2ccco2)c2nc3ccccc3[nH]2)cc1 5062108 COXPARQKCBSHFN-CPNJWEJPSA-N 343.386 4.392 0 50 EIAA COCC[C@H]1CCCCN1Cc1nc(-c2ccccc2C)oc1C 12315296 QZKLBYVMKOOGPT-QGZVFWFLSA-N 328.456 4.349 0 50 EIAA O=C(NC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 19913530 UWBFWLNQDSLDMW-UHFFFAOYSA-N 334.891 4.001 0 50 EIAA Cc1ccn(CCn2ccc(-c3cccc(-c4cnccc4C)c3)n2)n1 20920429 TXUIGNZBWZDCCA-UHFFFAOYSA-N 343.434 4.126 0 50 EIAA Cc1ccc(C)c(C(=O)N2CCO[C@H](CCCc3ccccc3)C2)c1 71749108 AZGGNMJRUSXJOA-HXUWFJFHSA-N 337.463 4.167 0 50 EIAA Cc1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)ccc1F 77486838 BMIAZHHBVJUBFC-HNNXBMFYSA-N 345.389 4.204 0 50 EIAA CN(C)[C@H]1CCCCN(C(=O)c2ccccc2Oc2ccccc2)C1 82167078 YHBSCEFSNUJQPA-KRWDZBQOSA-N 338.451 4.035 0 50 EIAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCC3)n1 91657116 UELSJQQSXCAJDH-ZDUSSCGKSA-N 345.468 4.111 0 50 EIAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1c(C)noc1C 91657346 URKHWTZHLPBXBJ-CYBMUJFWSA-N 333.457 4.157 0 50 EIAA Cc1ncsc1CN[C@@H](C)c1cc(Br)ccc1F 170041266 PYVIUULKGROCNS-QMMMGPOBSA-N 329.238 4.204 0 50 EIAA COc1ccc2nc(C)cc(C(=O)N[C@@H](c3ccccc3)C3CC3)c2c1 170638546 QAUXDXXJTMPYSC-NRFANRHFSA-N 346.430 4.433 0 50 EIAA CCC[C@@](C)(CC)C(=O)Nc1ccc(OCc2nccn2C)cc1 225416445 WPHPJJICQRJWME-LJQANCHMSA-N 329.444 4.154 0 50 EIAA Fc1cc(OC(F)(F)F)cc(Br)c1Br 263623819 KZKXLGNHRNIASW-UHFFFAOYSA-N 337.892 4.249 0 50 EIAA Cc1scc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1C 273315724 PYIYJGYTCRDEIV-FUHWJXTLSA-N 347.455 4.496 0 50 EIAA CSCCCN(C)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 281890461 HCBACGJTJDRKMZ-UHFFFAOYSA-N 346.500 4.213 0 50 EIAA CCn1ncc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1C(F)(F)F 333032521 AVCFTQXDXKAVNG-QJPTWQEYSA-N 344.381 4.012 0 50 EIAA Cc1ccc2nc(CN[C@H](Cc3ccccn3)c3ccccc3)cn2c1 408514180 YSKUEZHUDLIQJW-OAQYLSRUSA-N 342.446 4.111 0 50 EIAA Cc1cc(C(=O)NC(C)(C)c2ccc(C(C)(C)C)cc2)c(C)nn1 678089603 FLIWRNJKJWEEKQ-UHFFFAOYSA-N 325.456 4.056 0 50 EIAA Fc1cccc([C@H]2CCN2Cc2c[nH]nc2-c2ccccc2F)c1 678284116 VORJKYYRFMECLX-GOSISDBHSA-N 325.362 4.302 0 50 EIAA O=C(O)C[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3Cl)o2)C1 905815703 TWMBKNQMEAHACT-OLZOCXBDSA-N 333.815 4.333 0 50 EIAA CN(Cc1ccnc2ccccc12)C[C@H]1CCN(c2ccccc2)C1 952982848 SBMZQWQXOYXZGL-GOSISDBHSA-N 331.463 4.193 0 50 EIAA Cc1cc(C(=O)Nc2cnn(C(C)C)c2)c2cccc(Cl)c2n1 1529121034 YLXUUJRKGCYJKM-UHFFFAOYSA-N 328.803 4.226 0 50 EIAA O=C(NCCn1cccc1)N1CCCC[C@H]1c1ccc(Cl)cc1 1679886891 DXHJPCUWTCICDQ-KRWDZBQOSA-N 331.847 4.078 0 50 EIAA O=C1CCCc2cc(NCc3ccc(-c4cccnc4)o3)ccc2N1 1875257504 YFWBZEAAVVETRM-UHFFFAOYSA-N 333.391 4.229 0 50 EIAA CCCc1nc([C@@H]2Cc3ccncc3C2)n(-c2c(C)cc(C)cc2C)n1 1875348027 GFVPCBNRILTYHN-GOSISDBHSA-N 346.478 4.422 0 50 EIAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 2325901608 MYSYRLKNJNDUCH-UHFFFAOYSA-N 336.416 4.302 0 50 EIAA COc1ccccc1-n1cnc2cc(NC(=O)c3ccccc3)ccc21 188678 MTVWEOMVESYRLV-UHFFFAOYSA-N 343.386 4.286 0 50 EIAA O=C(Cc1ccccc1)Nc1ncc(Cc2ccc(F)cc2)s1 272057 YMJGMSSNYYNXEL-UHFFFAOYSA-N 326.396 4.054 0 50 EIAA Cc1cccc(OCC(=O)Nc2ccc(Br)cc2C)c1 447139 HKSQDIFGMBJKIZ-UHFFFAOYSA-N 334.213 4.083 0 50 EIAA CCOc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1Cl 470956 QRAUZNVNWXERDL-UHFFFAOYSA-N 333.859 4.293 0 50 EIAA COc1ccc2oc(=O)c(C(=O)Nc3cccc4ccccc34)cc2c1 859410 QOWRVGPGWKIYKN-UHFFFAOYSA-N 345.354 4.207 0 50 EIAA COc1ccc(Sc2nc(-c3ccccc3)ncc2C(=O)O)cc1 1386409 GJOZESNWWLBUGI-UHFFFAOYSA-N 338.388 4.002 0 50 EIAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCC1CCCC1 4487181 HFPIZUADQIDNHX-UHFFFAOYSA-N 341.455 4.444 0 50 EIAA c1ccc(SCc2csc(-c3ccc4c(c3)OCO4)n2)nc1 6699977 PBRCDMOIPWJWLB-UHFFFAOYSA-N 328.418 4.226 0 50 EIAA Cc1nc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2nc1C 6703001 SMDOXOQJPGNBFT-UHFFFAOYSA-N 326.783 4.257 0 50 EIAA O=C1S/C(=C\c2ccccc2O)C(=O)N1Cc1ccc(Cl)cc1 15009886 GTIAPWOLZZBYHE-DHDCSXOGSA-N 345.807 4.282 0 50 EIAA CCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 15011592 VLIFXMWHVBWRHX-FOWTUZBSSA-N 325.389 4.326 0 50 EIAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C2CCSCC2)C1 55107710 NEEQOAFAPQZVAI-IBGZPJMESA-N 346.584 4.077 0 50 EIAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CN1[C@H](C)c1ccccc1 55345590 BLLGOPLLCDRJQD-NIPOPRQDSA-N 329.484 4.436 0 50 EIAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1oc(CC)nc1C 55385939 NWFPBRKOFDEKMR-UHFFFAOYSA-N 343.427 4.235 0 50 EIAA COc1ccc(C(=O)c2cn(CCCCCO)c3ccccc23)cc1 64859695 NIQWYBPFQLBKGZ-UHFFFAOYSA-N 337.419 4.044 0 50 EIAA in-vitro COc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1F 122700291 NSOWYODVGZIXTQ-UHFFFAOYSA-N 336.366 4.072 0 50 EIAA Cc1csc2[nH]c(/C=C/c3coc(-c4ccccc4)n3)nc(=O)c12 126645430 BRMQVUFVLBLVQW-BQYQJAHWSA-N 335.388 4.118 0 50 EIAA C[C@@H](OC(=O)c1ccc2ncsc2c1)c1nc2ccccc2n1C 175917440 OUWOQYLDNCJKES-LLVKDONJSA-N 337.404 4.101 0 50 EIAA C[C@H](c1cccnc1)N(C)Cc1csc(COc2ccccc2)n1 180798853 VTQHMGYOLAWBSF-OAHLLOKOSA-N 339.464 4.310 0 50 EIAA COc1cc(Cl)ccc1CN1CCC[C@@H]1c1noc(C(C)C)n1 225468301 MNXWFOQNMIYREQ-CQSZACIVSA-N 335.835 4.192 0 50 EIAA COCC[C@@H]1CCCCN1C(=O)NCc1cccc(Cl)c1Cl 534591491 SXBSAQNHOHWTBW-ZDUSSCGKSA-N 345.270 4.094 0 50 EIAA CC(=O)O[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 1500997234 BBOKJENTPRWCBO-BSGOZNNNSA-N 334.500 4.322 0 50 EIAA C[C@H](c1ccccn1)N(C)C(=O)c1ccc(N2CCCC2)c(Cl)c1 1506401702 LCGDRXXZXGISFU-CQSZACIVSA-N 343.858 4.168 0 50 EIAA C[C@@H](O)c1ccc(-c2noc([C@@H]3C[C@H]3c3cccc(F)c3F)n2)cc1 1875306638 ANYFJEVFBWPGQM-WKPIXPDZSA-N 342.345 4.339 0 50 EIAA O=C(Cc1ccc2ccccc2c1)Nc1cccnc1-c1cccnc1 2325823371 PXUAHKMEHZCOSK-UHFFFAOYSA-N 339.398 4.478 0 50 EIAA Cc1c(C(=O)Nc2cccc(C(C)(C)C)c2)sc2ncnc(N)c12 2325870851 RXDHLOCJQCHISY-UHFFFAOYSA-N 340.452 4.132 0 50 EIAA COc1ccc(C)nc1Nc1ccc(-c2cccc(F)c2F)cn1 2356140070 SBAXDIWFJNIYCA-UHFFFAOYSA-N 327.334 4.482 0 50 EIAA O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1Cl 152754 ZKUZVXRVMQDTLJ-UHFFFAOYSA-N 339.178 4.409 0 50 EIAA O=C(Nc1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccco1 280191 PESFTZGOLAJHEO-UHFFFAOYSA-N 346.795 4.499 0 50 EIAA COc1ccc(CNc2cc(C)ccc2OC)cc1Br 437572 NHZCJCVRPIBXCW-UHFFFAOYSA-N 336.229 4.387 0 50 EIAA Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccncc2)no1 447821 FRWZMDQTOXLICT-UHFFFAOYSA-N 338.754 4.415 0 50 EIAA O=C(COC(=O)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 472992 PNGITVFRAAWATD-UHFFFAOYSA-N 345.128 4.311 0 50 EIAA Cc1ccc(Nc2nnc(-c3ccncc3)s2)c(Br)c1 611057 ALBLBEYTSRJPPH-UHFFFAOYSA-N 347.241 4.415 0 50 EIAA C[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 1926784 HDNYQJUBHSDNPY-CYBMUJFWSA-N 330.815 4.212 0 50 EIAA Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(C(C)C)cc1 3004698 MHVQWLJGZZZRNJ-UHFFFAOYSA-N 344.842 4.027 0 50 EIAA O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(O)cc2)on1 3907782 UXTCFURFYIURSB-UHFFFAOYSA-N 332.718 4.092 0 50 EIAA CSc1ccc(CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 4745056 UJMGAFPUWWQSRS-GOSISDBHSA-N 346.540 4.023 0 50 EIAA COc1ccc(-c2noc(COc3ccc4c(c3)CCCC4)n2)cc1 4808516 UBNDYFJSCRUKHM-UHFFFAOYSA-N 336.391 4.203 0 50 EIAA CCCc1cc(-n2ccnc2CC)n2ncc(-c3ccccc3)c2n1 5207631 TXGXJTHCFYEJNA-UHFFFAOYSA-N 331.423 4.097 0 50 EIAA Cc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3Cl)c2n1 7636187 ITVRZWFNTTXNHP-UHFFFAOYSA-N 326.831 4.267 0 50 EIAA O=C(NC1CCCCC1)[C@@H](Sc1ccccn1)c1ccccc1 8814478 XGBXCVBHBMJLQA-SFHVURJKSA-N 326.465 4.364 0 50 EIAA CCN(C(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 13618605 VZLHEFQYWDEOIH-UHFFFAOYSA-N 334.375 4.199 0 50 EIAA CCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 55543273 KZKFGNCNNHXMEL-UHFFFAOYSA-N 330.859 4.061 0 50 EIAA CCc1nc(C)sc1CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 72161660 NNKGRGXFQRNOMG-INIZCTEOSA-N 344.459 4.366 0 50 EIAA COCCC[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(Cl)c1 77301050 FEAUYXMRNBQXJZ-CQSZACIVSA-N 340.851 4.162 0 50 EIAA CCCc1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)[nH]n1 91894944 ZVKXFQJAYDSCRS-SFHVURJKSA-N 329.419 4.259 0 50 EIAA CC[C@H](C)n1nc(C)cc1NC(=O)NC1(c2cc(F)ccc2F)CC1 96151687 NSTSDARSYCCJOR-LBPRGKRZSA-N 348.397 4.252 0 50 EIAA CCN(C(=O)Nc1ccc(OC)c(Cl)c1)[C@H]1CCOC(C)(C)C1 97574885 UHAONQQLTYUBGO-ZDUSSCGKSA-N 340.851 4.160 0 50 EIAA Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccc(C)c(C)c1)N2 100716732 NVXFLCFWLKSQME-LJQANCHMSA-N 334.398 4.398 0 50 EIAA CC[C@H](C)CN(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 170625047 BZFZSTHBWTXYTB-ZDUSSCGKSA-N 341.480 4.130 0 50 EIAA C[C@H](C(=O)Nc1cc2c(cc1Br)CCC2)c1cccnc1 195204121 LNXDMWZJDGTRMD-NSHDSACASA-N 345.240 4.075 0 50 EIAA CC(=O)Nc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1C 252481916 CVHMUVKGTHNSBY-GFCCVEGCSA-N 330.815 4.098 0 50 EIAA CC(C)(C)[C@@H](NC(=O)c1cncnc1)c1cccc(C(F)(F)F)c1 354763561 FVEOQKLRZLQXGK-AWEZNQCLSA-N 337.345 4.013 0 50 EIAA CCN(C(=O)c1ccc(C(C)(F)F)nc1)[C@@H](C)Cc1ccsc1 451071083 KMYQTWDCGYMXDP-LBPRGKRZSA-N 338.423 4.348 0 50 EIAA 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CCS[C@H]1CCC[C@H](NC(=O)NCc2nc3ccccc3s2)C1 175500687 KZEHHHWZGLEMNH-STQMWFEESA-N 349.525 4.160 0 50 EIAA CCc1c(NC(=O)N2CC[C@@H](CC)C2)cnn1-c1ccccc1Cl 191579919 JHGBWDWHWRMENM-CYBMUJFWSA-N 346.862 4.352 0 50 EIAA Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1ccnc(N)n1 202757711 XZXLIMHPWAAYDB-UHFFFAOYSA-N 336.342 4.177 0 50 EIAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)c(C2CC2)c1 242324401 ZBALUHHDYZQXBC-QGZVFWFLSA-N 342.418 4.412 0 50 EIAA Cc1nc([C@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 252484029 FMMFXSOZIOFIBL-LKFCYVNXSA-N 325.334 4.199 0 50 EIAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@]21C=CC(=O)O1 257355910 DMEFWCRLNXTGFD-IGUHIKQPSA-N 342.479 4.162 0 50 EIAA CCc1ccc(CN2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cc1 426436384 BUDKPPFJYLFHLU-FDFHNCONSA-N 343.511 4.188 0 50 EIAA CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)NCC2=CCCCC2)C1 1340162139 CUWOZVWBJMKXSW-KRWDZBQOSA-N 344.503 4.028 0 50 EIAA Cc1ccc(N2CCC(N(C)Cc3cscn3)CC2)cc1Cl 1505722633 DWOBSMVOBCPXMF-UHFFFAOYSA-N 335.904 4.206 0 50 EIAA Cc1nc([C@H](C)N(C)C(=O)c2cnoc2-c2ccccc2)c(C)s1 1506421850 WRZBVVSWPKGVHE-NSHDSACASA-N 341.436 4.248 0 50 EIAA O=C(c1cccc2c(Cl)cccc12)N1CCC[C@@]2(CCC[C@H]2O)C1 1704304260 LRYIRWACMQVTGJ-QUCCMNQESA-N 343.854 4.260 0 50 EIAA CC(C)Nc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cn1 1875316245 DDZLDKFRNFRWIC-UHFFFAOYSA-N 333.395 4.024 0 50 EIAA CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@]2(CN)C[C@@H]3CCC[C@@H]3C2)cc1 2325827766 PZGUFLNMZYJBFX-ALOBAPJISA-N 342.527 4.218 0 50 EIAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)c1ccc(OC(C)C)cc1 2325842315 UOODNOGJTWGGGI-RTBURBONSA-N 341.495 4.284 0 50 EIAA CC(C)c1nc(O)ccc1C(=O)N[C@H](CC(C)(C)C)c1cccnc1 2356133981 QRRUXAOHHBDXQW-MRXNPFEDSA-N 341.455 4.213 0 50 EIAA CCn1cc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)c(C)n1 1052306 OYVBJXFYRZIYOE-VIFPVBQESA-N 326.227 4.009 0 50 EIAA Cc1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 3878139 FHRPSXOLZBOSPO-UHFFFAOYSA-N 328.481 4.024 0 50 EIAA COc1ccccc1-n1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S 3905369 PJZHALFMPKAXHT-UHFFFAOYSA-N 341.480 4.406 0 50 EIAA CCOC(=O)c1ccc(NC(=O)N2CCSc3ccccc32)cc1 6876862 OIHOHTKWOSMKOU-UHFFFAOYSA-N 342.420 4.008 0 50 EIAA C[C@H](c1ccccc1)c1cc(C(=O)NCc2ccccc2Cl)on1 12154386 ZRFQUZRNTOSJHF-CYBMUJFWSA-N 340.810 4.410 0 50 EIAA COc1ccc(-c2nc(CN(C)Cc3nccs3)c(C)o2)cc1C 15069821 PRUVUWHMDBROJC-UHFFFAOYSA-N 343.452 4.056 0 50 EIAA Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl 19536811 IUNCEHMYVOKILY-UHFFFAOYSA-N 335.278 4.311 0 50 EIAA CCc1cc(OCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1Cl 20166951 KVLYPGAFXFBFOL-GJZGRUSLSA-N 325.880 4.171 0 50 EIAA Clc1ccc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)s1 23359012 LHKNDMKISWHBJM-MRXNPFEDSA-N 346.927 4.123 0 50 EIAA c1ccc(-c2ncn(CCNc3cccnc3)c2-c2cccnc2)cc1 65405440 CRZAYVMBFWWQPY-UHFFFAOYSA-N 341.418 4.119 0 50 EIAA CN(CCc1ccccc1)N1C(=O)[C@H](c2ccccc2)c2ccccc21 71767315 ZUFBCRVLRAIOQJ-JOCHJYFZSA-N 342.442 4.255 0 50 EIAA CC[C@@H](C)n1nc(C)cc1NC(=O)NC1(c2cc(F)ccc2F)CC1 96151686 NSTSDARSYCCJOR-GFCCVEGCSA-N 348.397 4.252 0 50 EIAA c1csc([C@H]2CCCCN2Cc2c[nH]c(CC3CCCC3)n2)n1 97594897 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COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc1 15017920 NCAZXJBAFALTTE-WBAXXEDZSA-N 343.810 4.371 0 50 EIAA Cc1cccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3C)no2)c1 16577650 IWMRNJDTLAZULV-UHFFFAOYSA-N 341.798 4.188 0 50 EIAA CCn1cncc1Cn1ccc(-c2cccc(-c3cnccc3C)c2)n1 19225444 LMZJKTZXHNHWDR-UHFFFAOYSA-N 343.434 4.185 0 50 EIAA O[C@@H](CNCc1ccc(OCc2cccs2)cc1)c1ccccc1 20018549 KJAXDZIHVZMEGA-FQEVSTJZSA-N 339.460 4.150 0 50 EIAA O=C(O)CCc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 25761636 GMSVFODLMTZECM-UHFFFAOYSA-N 326.783 4.210 0 50 EIAA CCCn1cc(C(=O)N(Cc2ccccc2F)[C@@H](C)CC)c(C)n1 55244087 KTLQQDODINBWOJ-AWEZNQCLSA-N 331.435 4.182 0 50 EIAA CCCOCCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67726487 JDUGMHVZAFDMOO-UHFFFAOYSA-N 347.480 4.050 0 50 EIAA C[C@H](c1ccc2ccccc2c1)N(C)C1CCN(C(=O)C2CC2)CC1 67856122 NRNXCWUPOUFSPV-MRXNPFEDSA-N 336.479 4.234 0 50 EIAA Cc1[nH]c2ccc(CNc3ncccc3C(=O)N3CCCC3)cc2c1C 71749405 VNBFXWCRNCHQQO-UHFFFAOYSA-N 348.450 4.028 0 50 EIAA COc1cc(OC)c(C(=O)CCC(=O)O)cc1CCC1CCCCC1 71770721 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346.434 4.161 0 50 EIAA Cc1nn(C)c(C)c1CN(Cc1ccc(-c2ccccn2)cc1)C1CC1 952973922 IKTOYGOPGMMEIS-UHFFFAOYSA-N 346.478 4.264 0 50 EIAA CCCn1nc(C)c(NC(=O)c2ccccc2C(F)(F)F)c1C 1529162121 WLERVSOPKRWILI-UHFFFAOYSA-N 325.334 4.181 0 50 EIAA CCSCc1nnc2sc(/C=C/c3cccc(Cl)c3)nn12 1776111009 KKEICWYLFIGZLI-VOTSOKGWSA-N 336.873 4.263 0 50 EIAA CN1CCC[C@H](n2ccnc2-c2ccccc2OC2CCCC2)C1 1857708801 NXZBWSGWLIOASM-INIZCTEOSA-N 325.456 4.138 0 50 EIAA O=C(c1ccc(-c2ccccc2)cc1)N1CC(C2(C(F)(F)F)N=N2)C1 1875355595 AIMCGQHLJLFSLC-UHFFFAOYSA-N 345.324 4.150 0 50 EIAA Cc1cncc(CSc2n[nH]c(=Nc3ccccc3Cl)s2)c1 2325749153 WPCGCUDXCDPVPJ-UHFFFAOYSA-N 348.884 4.353 0 50 EIAA COc1ccc(C2(CNC3CC4(C3)CC4(F)F)CCCCC2)nc1 2332239490 NMIAQRGLEOORLN-UHFFFAOYSA-N 336.426 4.070 0 50 EIAA