smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1noc(N)c1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 124271 ZYSCKQRWYOZBLN-UHFFFAOYSA-N 325.315 4.375 0 30 EIAC COc1cccc(-c2c(OC)cccc2[C@@H]2CCCCN(C)C2=O)c1 136417 QMRJPLKYQKRNTO-SFHVURJKSA-N 339.435 4.097 0 30 EIAC Nc1nccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n1 172562 XEPONOORCIXARG-UHFFFAOYSA-N 339.786 4.023 0 30 EIAC S=C(N[C@H]1C[C@H]2C=C[C@H]1C2)N[C@H](Cc1ccccc1)c1ccccc1 100234537 UOCRDSBKJFJJCQ-WJMWBRGCSA-N 348.515 4.399 0 30 EIAC CCOc1ccc(Cl)cc1[C@@H](CN1CCN(C)CC1)[C@@H](C)CC 22042342 PTFMLNBMLFZOGC-YJBOKZPZSA-N 338.923 4.116 0 30 EIAC CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 253497719 ITUMQEGPSUTXQQ-XVPYPEEPSA-N 346.511 4.178 0 30 EIAC O=C(O)Cc1sc2nc3ccccc3n2c1-c1ccc(Cl)cc1 2172 PUYFLGQZLHVTHX-UHFFFAOYSA-N 342.807 4.497 0 30 EIAC in-man COc1ccc(Br)c(-c2nc(-c3cccc(C)c3)no2)c1 114239 MOWGBYKFPLGRIO-UHFFFAOYSA-N 345.196 4.483 0 30 EIAC CC1(C)[C@H]2C[C@H](S[C@@H]3C[C@@H]4[C@@H](C[C@]3(C)O)C4(C)C)[C@@](C)(O)C[C@H]21 256950473 VTOLOYGWYKBTJJ-DUKGFYTGSA-N 338.557 4.091 0 30 EIAC NC(=O)[C@H](Nc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 6524977 JQWGMBWZTWUTFY-CYBMUJFWSA-N 329.614 4.285 0 30 EIAC CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1ccccc1Cl 232497317 KMSPDLUVELIJBQ-HNNXBMFYSA-N 338.879 4.219 0 30 EIAC Clc1ccc(CON=Cc2cn(-c3ccccc3)nn2)c(Cl)c1 254759737 RSIOHGQGCUDDGI-UHFFFAOYSA-N 347.205 4.125 0 30 EIAC CC1=C2/C=C\C(C)=C/C=C(CO)\C(C)=C/C(=O)OC[C@@]2(C)CCC1 149509110 PVFGBZFOAFYVLS-BJBDTFDNSA-N 328.452 4.417 0 30 EIAC O=c1[nH]c(-c2cc(Cl)cc(Cl)c2O)nc2ccc(Cl)cc12 1849173 WLGLDEHMWPVPCV-UHFFFAOYSA-N 341.581 4.256 0 30 EIAC COc1cc(NC(=O)/C=C/c2ccccc2Cl)cc(OC)c1OC 164787 YHHCPMBLWUQTJZ-CMDGGOBGSA-N 347.798 4.018 0 30 EIAC CCN(CC)c1ccc(NC(=O)c2cccs2)c(N(CC)CC)n1 112325 XKFSXXLTZHYCFE-UHFFFAOYSA-N 346.500 4.088 0 30 EIAC CN(CCc1ccccn1)C(=O)c1sc2ccccc2c1Cl 154909 SYLQZOKKDIVHIP-UHFFFAOYSA-N 330.840 4.264 0 30 EIAC COc1ccc([C@@H]2c3ccsc3CCN2C(=O)C(C)(C)C)cc1 107381 ISZOAHZSPMSAAY-QGZVFWFLSA-N 329.465 4.277 0 30 EIAC C[C@@]1(CCN2CCCCC2)C(=O)N(Cc2ccccc2)c2ccccc21 2009442 DXAAZSDJHWZWPD-QHCPKHFHSA-N 348.490 4.367 0 30 EIAC CC(=NOC(=O)c1ccc(Cl)cc1)c1c(C)nc2cc(C)ccn12 254670513 UQZWTXXUKARFNN-UHFFFAOYSA-N 341.798 4.186 0 30 EIAC CC(=O)N1CCc2cc(NC(=S)Nc3ccccc3Cl)ccc21 80844 OMKGNXODKOFSEY-UHFFFAOYSA-N 345.855 4.058 0 30 EIAC Cc1ccc2c(c1Br)CCN(C(=O)OC(C)(C)C)C2 2265385166 JYVMCCJJISEFBZ-UHFFFAOYSA-N 326.234 4.051 0 30 EIAC S=C(N[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H]1C[C@H]2C=C[C@H]1C2 100234528 UOCRDSBKJFJJCQ-ZIBCJSCZSA-N 348.515 4.399 0 30 EIAC CC(C)(C)OC(=O)n1cc(CC#N)c2ccc(Br)cc21 146489728 WYZBMTQEHVDYRC-UHFFFAOYSA-N 335.201 4.253 0 30 EIAC CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCc3sccc32)cc1 422798187 QBQYUBQEAVXMDJ-QZTJIDSGSA-N 342.508 4.108 0 30 EIAC O=C(CSC(=S)NNc1ccccc1)c1ccc(Cl)cc1 93233 WWLIFMGGMGACTE-UHFFFAOYSA-N 336.869 4.158 0 30 EIAC CCOC(=O)c1cc(-c2csc(Nc3ccc(C)cc3)n2)on1 123709 TYNMGCXYWMJMOK-UHFFFAOYSA-N 329.381 4.027 0 30 EIAC CCOC(=O)c1cnn(-c2cc(Cl)cc(Cl)c2)c1C(C)C 114999 TWIHSRXVHRHNAU-UHFFFAOYSA-N 327.211 4.479 0 30 EIAC CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 303852631 DWWZSWVQGKGFGH-CYBMUJFWSA-N 345.270 4.092 0 30 EIAC Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 34574338 YEMGDMMNWKZAAS-UHFFFAOYSA-N 331.586 4.187 0 30 EIAC Cc1sc(Br)c(Br)c1Br 34376476 VRKDJTNDMUBTKW-UHFFFAOYSA-N 334.858 4.344 0 30 EIAC Cc1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1 156886 AQJUIEPFJCOCTD-UHFFFAOYSA-N 326.787 4.478 0 30 EIAC c1ccc(N(c2ccccc2)C2CCN(C3CCNCC3)CC2)cc1 140139281 QNXIWEZMHZNMCV-UHFFFAOYSA-N 335.495 4.041 0 30 EIAC O=S1(=O)C=C(CSc2cccs2)c2cc(Cl)ccc21 170571 PLAIFCKTAQKYRX-UHFFFAOYSA-N 328.867 4.322 0 30 EIAC COc1ccc(OC(=O)Nc2csc(Cc3ccsc3)n2)cc1 172354 OGQIQBGOLUVUQJ-UHFFFAOYSA-N 346.433 4.415 0 30 EIAC O=C(O)CS[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 3126299 GKJHKTABFYRMPR-MRXNPFEDSA-N 334.824 4.472 0 30 EIAC CCC[C@]1(c2cccc(O)c2)CCN(CCc2cccc(O)c2)C1 3628884 GPPYXKZKCAETJA-NRFANRHFSA-N 325.452 4.084 0 30 EIAC NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 21016229 QUFWIDQUOJYCGA-CQSZACIVSA-N 327.280 4.113 0 30 EIAC CN1[C@H]2CC[C@H]1CN([C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 101194116 WDECDYIZHLLLNN-UFYCRDLUSA-N 326.871 4.208 0 30 EIAC O=C(CSc1ncccc1C(F)(F)F)Nc1ccc(Cl)cc1 123062 XKYHOUYSCMWTJM-UHFFFAOYSA-N 346.761 4.485 0 30 EIAC C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2O 253497698 FYVKKXPWOJKVKR-MKOCOSAPSA-N 334.500 4.133 0 30 EIAC CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 112505 NWNMCIJYDBZWRX-HNNXBMFYSA-N 339.435 4.399 0 30 EIAC O=C(O)/C(=C/c1ccc(Cl)c(Cl)c1)c1ccccc1C(=O)O 33984058 KWVAVJJOQXONTO-KPKJPENVSA-N 337.158 4.317 0 30 EIAC Cc1cccc2nc(-c3cccnc3Oc3ccccc3)oc(=O)c12 152183 ZWCLOFDTCJDWEF-UHFFFAOYSA-N 330.343 4.351 0 30 EIAC FC(F)(F)c1cc(-c2ccc3c(c2)OCO3)nc2cc(C3CC3)nn12 171447 SHDUBCVTRPUMGA-UHFFFAOYSA-N 347.296 4.021 0 30 EIAC CCN(CC)CCOc1ccccc1C(=O)Nc1cccc(Cl)c1 5650076 YQXNAUNZNMZNKH-UHFFFAOYSA-N 346.858 4.313 0 30 EIAC COc1ccc2c(c1C(C)C)CC[C@@H]1C(C)(C)C(=O)CC(=O)[C@]21C 137394730 PXTHHLLUTFCXQI-IIBYNOLFSA-N 328.452 4.207 0 30 EIAC CC(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCc3sccc32)cc1 422798188 QBQYUBQEAVXMDJ-ROUUACIJSA-N 342.508 4.108 0 30 EIAC O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)NCc1ccccc1 172875 TXBDCWHEPDPCDF-UHFFFAOYSA-N 339.247 4.049 0 30 EIAC CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2 21914 DHCOPPHTVOXDKU-UHFFFAOYSA-N 339.468 4.104 0 30 EIAC investigational C[Si](C)(C)CCOCn1ccc2cc(Br)c(F)nc21 2265362263 ZBHVSLWDZYUXPQ-UHFFFAOYSA-N 345.288 4.250 0 30 EIAC COC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)cc1 112007 OZRKEDWMOJCTIL-UHFFFAOYSA-N 327.327 4.179 0 30 EIAC Cc1ccc(N)c([C@@]2(c3ccccc3)NC(=S)N2c2ccccc2)c1 33901846 SQITUSNCJFSPHB-NRFANRHFSA-N 345.471 4.173 0 30 EIAC Cc1noc(C)c1C(=O)OCc1ccc(-c2ccc(F)cc2F)o1 110248 ZMYSSYMWEGTWON-UHFFFAOYSA-N 333.290 4.187 0 30 EIAC Cc1cc(=O)n2nc(-c3sc4ccc(Cl)cc4c3C)cc2[nH]1 172400 CZVNNXRWGOVZQY-UHFFFAOYSA-N 329.812 4.175 0 30 EIAC O=C1c2ccccc2C(=O)N1c1nc(-c2ccc(Cl)cc2)cs1 82477 ZXYZJLZJIDNEAK-UHFFFAOYSA-N 340.791 4.264 0 30 EIAC CC(C)(C)c1ccc(NC(=O)C(=S)NCc2cccs2)cc1 173003 GQSIFLPKTGOOIY-UHFFFAOYSA-N 332.494 4.101 0 30 EIAC CCOC(=O)c1[nH]c2ccccc2c1[C@@H](N)c1ccccc1Cl 4202854 ZNLNBCPKMSCJRL-INIZCTEOSA-N 328.799 4.046 0 30 EIAC Cc1ccc(Sc2c(Sc3ccc(C)cc3)c(=O)c2=O)cc1 4366289 FRNLBCQCRQRWHG-UHFFFAOYSA-N 326.442 4.202 0 30 EIAC O=C(O)c1ccc(N(SC(F)(Cl)Cl)C(F)(F)F)cc1 6092716 OHZCUEZSYBNWJF-UHFFFAOYSA-N 338.109 4.418 0 30 EIAC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cn1 155590 ZQDHAFLEFHSSFK-UHFFFAOYSA-N 349.234 4.075 0 30 EIAC S=C(NCc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 4342810 GWTLXELXBINPJF-UHFFFAOYSA-N 334.916 4.273 0 30 EIAC CCCc1c(C(=O)Nc2ccc(OC)cc2)cnn1-c1ccccc1 147311 PNQBEGBOKQICRP-UHFFFAOYSA-N 335.407 4.086 0 30 EIAC O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc(F)cc1 152444 DPGXBKQJWIAATQ-UHFFFAOYSA-N 339.395 4.047 0 30 EIAC CN(C(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1F 92067 CPFSPOTUYISGCI-UHFFFAOYSA-N 327.783 4.373 0 30 EIAC O=C1CS[C@@H](c2cccnc2)N1Cc1ccc(Cl)c(Cl)c1 99731 KJLIFMTXEHSVSU-HNNXBMFYSA-N 339.247 4.163 0 30 EIAC CC1=CC(C)=[N+]2C1=C(c1ccc(N)cc1)c1c(C)cc(C)n1[B-]2(F)F 198120918 ZYJKXDGIHNXYKQ-UHFFFAOYSA-N 339.198 4.116 0 30 EIAC in-vitro CON=C(C[S@](=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 254577761 JTOMXLZEJQUEFU-NRFANRHFSA-N 342.247 4.152 0 30 EIAC C=CCON=C(C)C1=C(O)CC(C)(C)[C@H](c2cccc(C)c2)C1=O 254698729 XXUZWFBTZDZSSH-GOSISDBHSA-N 327.424 4.468 0 30 EIAC COC(=N)c1nccnc1SCc1ccc(Cl)cc1Cl 100216451 FOWJPAZWTABLHF-UHFFFAOYSA-N 328.224 4.047 0 30 EIAC CC(Br)(Br)C(=O)c1ccccc1Cl 669367925 XPNJOCMDHOELHU-UHFFFAOYSA-N 326.415 4.029 0 30 EIAC CC(C)(C)OC(=O)NCC1(c2ccccc2Br)CC1 310017820 PIDMIZIUTDLBAL-UHFFFAOYSA-N 326.234 4.005 0 30 EIAC COc1ccc([C@@H](NC(=O)c2cc3ccccc3n2C)C(C)C)cc1 1124503638 SMDCHWBSGKNFDI-FQEVSTJZSA-N 336.435 4.314 0 30 EIAC C[S@](=O)(=NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 13466083 ZBPQVZYZJDOKPQ-JOCHJYFZSA-N 327.327 4.003 0 30 EIAC S=C(N[C@@H](Cc1ccccc1)c1ccccc1)N[C@H]1C[C@H]2C=C[C@H]1C2 100234534 UOCRDSBKJFJJCQ-VMXMFDLUSA-N 348.515 4.399 0 30 EIAC C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC21OCCO1 254129574 SXXRMGBMPQWUTB-MJUPKGCFSA-N 332.484 4.053 0 30 EIAC COc1ccc2c(c1C(C)C)CC[C@H]1C(C)(C)C(=O)CC(=O)[C@]21C 137394666 PXTHHLLUTFCXQI-HRAATJIYSA-N 328.452 4.207 0 30 EIAC CCCSc1nnc(-c2ccccc2O)n1-c1ccccc1C 38174743 JEDRHTBAXYGKCY-UHFFFAOYSA-N 325.437 4.450 0 30 EIAC O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(Cl)cc1 26052 HLHSVQMQIBTBHJ-UHFFFAOYSA-N 325.755 4.175 0 30 EIAC O=C(NC1(C(=O)O)CCCCCCCCC1)OCc1ccccc1 4202697 FEMUUKZFQVWEJT-UHFFFAOYSA-N 333.428 4.261 0 30 EIAC CN1CCCC[C@H]1CCC1(O)c2ccccc2CCc2ccccc21 1996884 CSTOWSPJSWAWAI-FQEVSTJZSA-N 335.491 4.286 0 30 EIAC O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)cc1F 172914 QIOSMGYLZUZALA-UHFFFAOYSA-N 348.296 4.109 0 30 EIAC CCC(=O)NC(Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F 26342879 GRKLGWATZABFBI-UHFFFAOYSA-N 348.674 4.099 0 30 EIAC C[C@@H]1C[C@H](NC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@@H]32)CC(C)(C)C1 252427763 DZRCPDNBURVKIV-HVUOWPQOSA-N 332.557 4.266 0 30 EIAC CC1(C)[C@H]2C[C@@](C)(O)[C@H](S[C@H]3C[C@H]4[C@@H](C[C@]3(C)O)C4(C)C)C[C@H]21 256950480 VTOLOYGWYKBTJJ-XZLZHHKCSA-N 338.557 4.091 0 30 EIAC CCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F 40878338 QZCWJESBPOINIU-UHFFFAOYSA-N 339.725 4.047 0 30 EIAC CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2562629 HPSZQGQRLMRJLO-OIFNNXFWSA-N 334.500 4.322 0 30 EIAC C[S@@](=O)(=NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 100218656 WAAPTFBSFWGDTF-FQEVSTJZSA-N 328.220 4.291 0 30 EIAC CC(C)(C)OC(=O)N1Cc2cccc(Br)c2C(C)(C)C1 145661467 OTVBYEZQXDTGFA-UHFFFAOYSA-N 340.261 4.477 0 30 EIAC C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@H]2N 2265351292 BRIXFWOBRNRTOA-XSEPRYCASA-N 331.500 4.020 0 30 EIAC CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 2265351407 HQUYSOXTMKZRPF-YJUFFEMBSA-N 334.500 4.466 0 30 EIAC CC[C@](O)(c1cccc(OCc2ccccc2)c1)[C@H](C)CN(C)C 65734676 BYTDRZBEHCAVQA-DYESRHJHSA-N 327.468 4.061 0 30 EIAC O=C(Nc1cccc(C(F)(F)F)c1)N1CCOC12CCCCC2 42869 KDKSIQBAMZRWFM-UHFFFAOYSA-N 328.334 4.230 0 30 EIAC O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1F 141900 WVTIWLYDIVQAJU-UHFFFAOYSA-N 336.318 4.264 0 30 EIAC CC1([C@@]23C[C@@H]4C[C@@H](C[C@@](N5C(=O)c6ccccc6C5=O)(C4)C2)C3)CC1 299803297 GZLUEKJPEODFLD-QGYQNMSGSA-N 335.447 4.422 0 30 EIAC COc1ccc(-c2csc(-c3ccc4c(c3)OCCO4)n2)cc1 105602 DHDKPQPHXKPJAV-UHFFFAOYSA-N 325.389 4.257 0 30 EIAC O=C(O)c1cc2ccccc2n1Cc1cc(Br)ccc1F 20551772 GELZTEAOBLRFCE-UHFFFAOYSA-N 348.171 4.289 0 30 EIAC CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nccnc2c1 131550 YABKMNBTSFPCNX-UHFFFAOYSA-N 341.798 4.079 0 30 EIAC CC(C)(C)c1cc(-c2nnc(C3CC3)o2)n(Cc2ccc(F)cc2)n1 128374 DIJVYDDVUMPIRH-UHFFFAOYSA-N 340.402 4.295 0 30 EIAC COc1cccc2cc(C(=NO)c3ccc(Br)cc3)oc12 254494348 NVJQJRGPUWCRPP-UHFFFAOYSA-N 346.180 4.431 0 30 EIAC O=C1CS[C@@H](c2cccnc2)N1c1cc(Cl)cc(Cl)c1 99467 KMIGEZOZLGPHIZ-AWEZNQCLSA-N 325.220 4.167 0 30 EIAC Cc1cc(C(F)(F)F)nc2c(Br)c(C(C)(C)C)nn12 124707 HTAWVBZVCTUZDI-UHFFFAOYSA-N 336.155 4.117 0 30 EIAC O=C(Nc1ccc2ccccc2n1)C1=Cc2cc(Cl)ccc2OC1 153117 BAGZWBCSXRKTCZ-UHFFFAOYSA-N 336.778 4.303 0 30 EIAC COC(OC)c1ccnc(SCc2ccc(Cl)cc2Cl)n1 123628 WDPIIGIIWATDDH-UHFFFAOYSA-N 345.251 4.367 0 30 EIAC O=S(=O)(NCc1csc2ccc(Cl)cc12)c1cccs1 147978 UDKKIAVCBHPMOR-UHFFFAOYSA-N 343.882 4.095 0 30 EIAC Cc1onc(-c2ccccc2)c1-c1nc2cc(Cl)ccc2c(=O)o1 97991 GCEWZJIPIGWXQD-UHFFFAOYSA-N 338.750 4.472 0 30 EIAC Cc1noc2ncnc(SCc3ccc(C(F)(F)F)cc3)c12 124235 DHBDYSUCWDMSJR-UHFFFAOYSA-N 325.315 4.237 0 30 EIAC c1ccc(-c2csc3ncnc(NCCCn4ccnc4)c23)cc1 4299607 SVJQOANWTBBFRN-UHFFFAOYSA-N 335.436 4.057 0 30 EIAC FC(F)(F)c1cc(-c2ccccn2)nc2cc(-c3ccccc3)nn12 170985 OFKCWSJGTAVYTD-UHFFFAOYSA-N 340.308 4.477 0 30 EIAC COc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1Br 82609238 GLBNVQHUKWRLJA-VIFPVBQESA-N 330.222 4.043 0 30 EIAC Cc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(N)=O)cc1 117135 ZERUUHWOHOOZNU-UHFFFAOYSA-N 336.416 4.075 0 30 EIAC CON=C1C[C@H](C)Cc2nnc(-c3ccc(Cl)cc3Cl)cc21 254311593 IDIHQEKFIQIKTB-SECBINFHSA-N 336.222 4.383 0 30 EIAC CC(=O)O[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 207089991 TYVOTOKKBSVAQA-RYMRXWPBSA-N 330.468 4.450 0 30 EIAC COc1ccc(-c2cc(N)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 114223 ZMCSFTFYNSVYAU-UHFFFAOYSA-N 334.206 4.437 0 30 EIAC Clc1ccc([C@]2(c3ccccc3)OC[C@@H]([C@@H]3CCCCN3)O2)cc1 5934491 QSUPYZROBSIPRZ-SLFFLAALSA-N 343.854 4.099 0 30 EIAC Cc1ccc(CN2C(=O)SC(=Cc3ccc(F)cc3)C2=O)cc1 2265279749 JWRJDEZBKFHNBH-UHFFFAOYSA-N 327.380 4.371 0 30 EIAC Cc1nn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)cc(Cl)c1 166207 QIKXTPZEHHSYOG-UHFFFAOYSA-N 347.205 4.135 0 30 EIAC Cn1cc(-c2[nH][nH]c(=O)c2-c2cn(C)c3ccccc23)c2ccccc21 198902622 KMUWGGSPJUQION-UHFFFAOYSA-N 342.402 4.020 0 30 EIAC O=C(Nc1cccc(COC(=O)c2ccccc2)c1)c1ccccc1 154131 AOXACLXIOJDJGR-UHFFFAOYSA-N 331.371 4.296 0 30 EIAC Cc1ccc(C(=O)[C@H](C)c2c(O)c3ccccc3oc2=O)c(Cl)c1 70297 WCEQQGXSOZUVPP-LLVKDONJSA-N 342.778 4.447 0 30 EIAC Cc1ccc(S(=O)(=O)[C@H](C)C(=O)c2ccc(C)c(Cl)c2)cc1 129025 GLAKUOGZIAANQC-CYBMUJFWSA-N 336.840 4.002 0 30 EIAC O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccccc1 87267 OZECHSIEHKYJND-UHFFFAOYSA-N 344.458 4.234 0 30 EIAC COc1ccc2[nH]c(C(=O)NCc3cc(Cl)ccc3Cl)cc2c1 114527 ZVCNKXRRPJUYJM-UHFFFAOYSA-N 349.217 4.413 0 30 EIAC C=CCN1C(=O)C(=NNc2cc(Cl)cc(Cl)c2)c2ccccc21 254380060 DSXOTDRHHMIFLX-UHFFFAOYSA-N 346.217 4.342 0 30 EIAC CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 1774020983 IGTOGZGFKIJBBR-JBXXBSONSA-N 330.468 4.450 0 30 EIAC CCOC(=O)c1ccsc1NC(=O)c1ccc(C(F)(F)F)cc1 116210 ABFPZCVREGXTEI-UHFFFAOYSA-N 343.326 4.196 0 30 EIAC COC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 6035963 MDXGYOOITGBCBW-LLVKDONJSA-N 340.297 4.438 0 30 EIAC Cc1cn(CCC(=O)NCc2c(F)cccc2Cl)c2ccccc12 119600 YAZVLPANFBKSJJ-UHFFFAOYSA-N 344.817 4.449 0 30 EIAC CC[C@@](O)(c1cccc(OCc2ccccc2)c1)[C@H](C)CN(C)C 118173334 BYTDRZBEHCAVQA-UTKZUKDTSA-N 327.468 4.061 0 30 EIAC CCOC(=O)c1[nH]c2ccccc2c1[C@H](N)c1ccccc1Cl 4202853 ZNLNBCPKMSCJRL-MRXNPFEDSA-N 328.799 4.046 0 30 EIAC CCCC[Sn](F)(CCCC)c1ccccc1 196557542 ZHYJTYYLZUPTRY-UHFFFAOYSA-M 329.047 4.409 0 30 EIAC Cc1cnc(NC(=O)c2ccc(Cl)cc2)c(Br)c1 147295 NQFLJFQWBJJIHN-UHFFFAOYSA-N 325.593 4.058 0 30 EIAC COCCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 4322839 BRDVYBHWADZIJI-UHFFFAOYSA-N 340.206 4.271 0 30 EIAC C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@H]2O 39737978 FYVKKXPWOJKVKR-LBVZWDRHSA-N 334.500 4.133 0 30 EIAC CON=C(C[S@@](=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 254577762 JTOMXLZEJQUEFU-OAQYLSRUSA-N 342.247 4.152 0 30 EIAC CCOc1ccc(C=CC2=NN(Cc3ccccc3)C(=O)CC2)cc1 2265276321 SVMUHZVCLBGYTA-UHFFFAOYSA-N 334.419 4.277 0 30 EIAC CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@H]3CC[C@@]12C 253497717 ITUMQEGPSUTXQQ-NDUBFONPSA-N 346.511 4.178 0 30 EIAC CC(=O)N(c1cccc(C)c1)C1CCN(CCc2ccccc2)CC1 32256050 SZZZZTBKJBQTDR-UHFFFAOYSA-N 336.479 4.055 0 30 EIAC CCCCc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)c(C)c1 3126194 NOTORWQJTQSALY-UHFFFAOYSA-N 348.450 4.479 0 30 EIAC CCOC(=O)c1sc2nc(-c3ccccc3OC)nc(C)c2c1C 124280 XHJZQSIVCSKYAB-UHFFFAOYSA-N 342.420 4.160 0 30 EIAC C[S@](=O)(=NC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 13466294 RJZADDXGAVESAI-JOCHJYFZSA-N 333.796 4.383 0 30 EIAC O=C(NC(=S)Nc1ccc(Cl)cc1)c1c(F)cccc1Cl 76383 FTLNLEIDBKOJEX-UHFFFAOYSA-N 343.210 4.259 0 30 EIAC O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccccn1 101287 LKIZFXHDGVXYHB-CQSZACIVSA-N 325.220 4.167 0 30 EIAC O=C(CCCCC(=O)OC[C@H]1CC=CCC1)OC[C@H]1CC=CCC1 5191459 PJRVYFKLOAROIV-ROUUACIJSA-N 334.456 4.346 0 30 EIAC COc1ccc2c(c1)Sc1ccccc1N2[C@@H]1CCCN(C)C1 5140817 LUEVNSVASOZCPK-CQSZACIVSA-N 326.465 4.392 0 30 EIAC COc1ccc2[nH]cc(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1 40435134 VTNYLHQQIXRGSF-UHFFFAOYSA-N 330.428 4.291 0 30 EIAC CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1 888084715 GFGRIDGAHJGDDW-LJQANCHMSA-N 344.499 4.441 0 30 EIAC CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2Cc2ccccc2)C1 26897753 DPSRCYMFYKYHJN-FQEVSTJZSA-N 330.472 4.052 0 30 EIAC O=C1O[C@@H](NNc2ccc(C(F)(F)F)cc2Cl)c2ccccc21 110636 NQNUKXXYLKKEFC-CYBMUJFWSA-N 342.704 4.145 0 30 EIAC O=C(Sc1ccccn1)c1cnn(-c2ccccc2)c1C(F)(F)F 82115 IXUPUIPDDCNAGC-UHFFFAOYSA-N 349.337 4.219 0 30 EIAC CCOC(=O)c1sc(N2CCCCC2)c2c1CC(C)(C)CC2=O 148860 PBKXGBQAXSWILA-UHFFFAOYSA-N 335.469 4.070 0 30 EIAC CCOc1ccc(NC(=S)Nc2cc(-c3cccs3)n[nH]2)cc1 4344959 JUKYZPZAIXMVQG-UHFFFAOYSA-N 344.465 4.346 0 30 EIAC O=C(O)C[C@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1 69519 JIQUCSVRHVPBKE-KRWDZBQOSA-N 337.419 4.153 0 30 EIAC CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C 2265351406 HQUYSOXTMKZRPF-QCPSMULASA-N 334.500 4.466 0 30 EIAC O=C(NCc1csc(-c2cccs2)n1)c1cccc(Cl)c1 131558 VSCTZXZUWPMLAB-UHFFFAOYSA-N 334.853 4.455 0 30 EIAC C=C(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C(C)(C)C)cc1 604934891 MZDVJXQDGOTLHR-BWTSREIZSA-N 327.468 4.166 0 30 EIAC CCC[C@]1(c2cccc(O)c2)CCN(CCc2ccc(O)cc2)C1 5840702 LRMYMYHAGWQOEO-NRFANRHFSA-N 325.452 4.084 0 30 EIAC biogenic O=C(Cc1cccs1)NCc1ccc(-c2ccc(F)cc2F)o1 131888 MCHPMWUAWLIUAE-UHFFFAOYSA-N 333.359 4.145 0 30 EIAC Cc1cc(NC(=O)Nc2ccc3c(c2)OCCO3)c(C(F)(F)F)o1 152758 JWGYDOLHOBJGJP-UHFFFAOYSA-N 342.273 4.022 0 30 EIAC O=C(Oc1ccc2c(=O)ccoc2c1)c1ccc(Cl)cc1Cl 3180685 UAXOXYYIGSMDKJ-UHFFFAOYSA-N 335.142 4.319 0 30 EIAC FC(F)(F)c1ccc(Cl)c(Nc2ncnc(-n3cccc3)n2)c1 1044753 BMUUWMFGIJRURN-UHFFFAOYSA-N 339.708 4.078 0 30 EIAC O=S(=O)(Nc1ccc2[nH]ccc2c1)c1cc(Cl)cc(Cl)c1 112617805 NUDZDMPPQNYVSY-UHFFFAOYSA-N 341.219 4.276 0 30 EIAC CN(Cc1cc2ccccc2s1)C(=O)c1cccc2nsnc12 12366650 LWIDBIULVSQRSK-UHFFFAOYSA-N 339.445 4.178 0 30 EIAC Cn1c(C(=O)NC2C3CC4CC(C3)CC2C4)cc2ccc(Cl)cc21 888088764 QGUDENVWZIVKKY-UHFFFAOYSA-N 342.870 4.386 0 30 EIAC COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1N 2242137794 IYHQYVJVYZGFAX-UHFFFAOYSA-N 335.194 4.271 0 30 EIAC COc1cccc(NC(=O)Nc2cc(OC)cc(C(F)(F)F)c2)c1 112054 RERYFBGZSGFOOA-UHFFFAOYSA-N 340.301 4.367 0 30 EIAC O=[N+]([O-])c1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)cc1 254863178 KKUDVTQJYAIUTI-UHFFFAOYSA-N 344.680 4.108 0 30 EIAC CN(C)CCC(=O)c1ccc(-c2ccc(Br)cc2)cc1 38647375 ZGBXKCDIXNVJQB-UHFFFAOYSA-N 332.241 4.251 0 30 EIAC CCCC(CCC)(C[C@@H](CO)C(CCC)(CCC)C(=O)O)C(=O)O 141860931 QBHWYZWITQQHNL-HNNXBMFYSA-N 344.492 4.327 0 30 EIAC CC(C)NC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 106703 FMXUBGIGKNNOFH-MRXNPFEDSA-N 334.872 4.467 0 30 EIAC COc1c(O)ccc2c([C@H]3CCc4ccc(Cl)cc43)ncnc12 2265384772 WPWHBLYELIZBTA-LBPRGKRZSA-N 326.783 4.076 0 30 EIAC Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1 154960 IFTMWRBOCNIRFR-UHFFFAOYSA-N 326.787 4.385 0 30 EIAC O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 120503 DKLNDTXBHFYXRA-UHFFFAOYSA-N 334.746 4.333 0 30 EIAC CSc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 6017378 NBVGJQMAIHVUIM-UHFFFAOYSA-N 349.864 4.400 0 30 EIAC COC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 96341631 SLLBLMMZGDUTOG-GVOJMRIRSA-N 330.468 4.293 0 30 EIAC O=C(O)CS[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 3126292 HVHMPUPKPOIZRO-MRXNPFEDSA-N 334.824 4.472 0 30 EIAC CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 70767 QRICOXPRSCVAFP-LFIBNONCSA-N 327.767 4.083 0 30 EIAC CCCCCCCCCCCC(=O)N[C@H](CCSC)C(=O)O 100110326 PFSGUIFKRGNSHV-OAHLLOKOSA-N 331.522 4.230 0 30 EIAC CCOC(=O)c1cnc(-c2cccs2)nc1Nc1ccc(C)cc1 124486 DKLMXVJUFYAMGL-UHFFFAOYSA-N 339.420 4.434 0 30 EIAC Cc1c(CC(=S)N2CCOCC2)sc2ccc(Cl)cc12 172257 YCYOBULEXLYXAX-UHFFFAOYSA-N 325.886 4.065 0 30 EIAC CC1(C)[C@H]2C[C@H](S[C@@H]3C[C@@H]4[C@@H](C[C@@]3(C)O)C4(C)C)[C@@](C)(O)C[C@H]21 256950477 VTOLOYGWYKBTJJ-NTDODVCJSA-N 338.557 4.091 0 30 EIAC Cc1c(Br)ccc2c1CCN(C(=O)OC(C)(C)C)C2 306847282 KYARFYNZFOIUHM-UHFFFAOYSA-N 326.234 4.051 0 30 EIAC COc1c(Br)cc(Br)cc1C(F)(F)F 201699850 OBLAOVLYRYJLOW-UHFFFAOYSA-N 333.929 4.239 0 30 EIAC CC1=C2/C=C\C(C)=C/C=C(CO)\C(C)=C/C(=O)OC[C@]2(C)CCC1 111454485 PVFGBZFOAFYVLS-SCVACNESSA-N 328.452 4.417 0 30 EIAC COc1cc(CCC(C)=O)ccc1OC(=O)c1ccccc1Cl 139878 XRTSDMORUBQDDS-UHFFFAOYSA-N 332.783 4.089 0 30 EIAC Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12 116401 GYQNXYQGNUDXME-UHFFFAOYSA-N 338.480 4.076 0 30 EIAC CC(=O)OCc1ccccc1Sc1ccc(Cl)cc1C(=O)O 86229 WIGMJPDFRYRDNS-UHFFFAOYSA-N 336.796 4.253 0 30 EIAC FC(F)(F)c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)nc1 124394 MZVHQFQRJUWDNH-UHFFFAOYSA-N 325.677 4.471 0 30 EIAC CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 390775452 OGDNBQKSDVOUIH-ZDUSSCGKSA-N 340.261 4.249 0 30 EIAC Cc1nc(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)s1 121824 KUZBBWBWXMVPRR-UHFFFAOYSA-N 325.315 4.496 0 30 EIAC CCOC(=O)c1oc2nc(-c3ccco3)cc(-c3ccco3)c2c1N 159173 PFEGLABZJGFAFV-UHFFFAOYSA-N 338.319 4.107 0 30 EIAC CCOC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1C 141547 IIAKMKFTRFPFKO-UHFFFAOYSA-N 333.602 4.318 0 30 EIAC Cc1c(C2=NO[C@@](O)(C(F)(F)F)C2)sc2ccc(Cl)cc12 114837 GNKVBQLWIZMPHX-GFCCVEGCSA-N 335.734 4.238 0 30 EIAC Cc1nc(-c2ccccn2)[nH]c(=O)c1Cc1c(Cl)cccc1Cl 18163711 OBGQAOHMIOPUEX-UHFFFAOYSA-N 346.217 4.038 0 30 EIAC O=C(Nc1ccc2nsnc2c1)c1csc(-c2cccs2)n1 12340859 ABRDAVHXDMEXRQ-UHFFFAOYSA-N 344.446 4.129 0 30 EIAC FC(F)(F)c1ccc(CN2CCn3c(cc4ccccc43)C2)cn1 24978002 PTQNWXYYDAZSND-UHFFFAOYSA-N 331.341 4.071 0 30 EIAC Cc1ccccc1C(=O)N1N=C(Nc2ccccc2)SC1(C)C 2157120 OJKRCDAVAIKJBQ-UHFFFAOYSA-N 325.437 4.303 0 30 EIAC biogenic O=C(CSc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 128430 VNTDJLRJYLFQMY-UHFFFAOYSA-N 338.787 4.225 0 30 EIAC CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 4698176 SOPFVOXRELEVHX-ZROIWOOFSA-N 332.812 4.035 0 30 EIAC CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 33650198 NKZLRJOJLCHNQR-NGFSFWIMSA-N 330.468 4.306 0 30 EIAC in-vitro Cc1cc(C(F)(F)F)cc(Oc2ccc(-c3ccnc(N)n3)cc2)n1 36047227 UMKLZXAZIGMUIF-UHFFFAOYSA-N 346.312 4.240 0 30 EIAC CCCCNCCN(CCCC)CCN(CCCC)CCCC 143844889 OYPYPCMBTYFGKY-UHFFFAOYSA-N 327.601 4.380 0 30 EIAC O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccccc2)c1F 141882 FHOIYUCRJQPDHW-UHFFFAOYSA-N 334.350 4.330 0 30 EIAC O=C(NCCc1cn(Cc2ccccc2)c2ccccc12)c1ccco1 16887477 OIWGZFYSIRCSMT-UHFFFAOYSA-N 344.414 4.255 0 30 EIAC C[C@@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@]1(C)c1cccc(O)c1 3962 LVVHEFJXPXAUDD-WTNAPCKOSA-N 345.527 4.323 0 30 EIAC Nc1cccc(-c2nnc(/C=C/c3ccc(OC(F)(F)F)cc3)o2)c1 4364733 QTRPTSVEORZSAF-RMKNXTFCSA-N 347.296 4.388 0 30 EIAC CCNC(=O)ON=C(C)c1sc(-c2ccc(Cl)cc2)nc1C 254625653 YEEQAINIFYGZHS-UHFFFAOYSA-N 337.832 4.242 0 30 EIAC COc1cccc2c1c(NC(=O)c1cc3ccccc3s1)nn2C 146381 PIELFOFZTKOXAC-UHFFFAOYSA-N 337.404 4.049 0 30 EIAC c1ccc(COn2nnc(-c3ccccc3)c2-c2ccccc2)cc1 195780227 PWUKAGVRTLJBHP-UHFFFAOYSA-N 327.387 4.241 0 30 EIAC CSc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(Cl)cc1 170624 HNZCBHVDFCTFJO-UHFFFAOYSA-N 343.839 4.500 0 30 EIAC C[C@@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 6031193 LVVHEFJXPXAUDD-VOQZNFBZSA-N 345.527 4.323 0 30 EIAC Cc1cccc(C(=O)ON=Cc2c(Cl)n(C)c3ccccc23)c1 254387377 XBSYHOHGHXNCFX-UHFFFAOYSA-N 326.783 4.331 0 30 EIAC Cc1ccc(-n2c(CCc3ccc(O)cc3)n[nH]c2=S)c(C)c1 67497 ASQVWTNHYZMYBS-UHFFFAOYSA-N 325.437 4.038 0 30 EIAC COC(=O)CCCCCCCC(=O)CCCCCCCC(=O)OC 96329017 HODPGCFOWUWCJC-UHFFFAOYSA-N 342.476 4.363 0 30 EIAC Cc1nc(-c2cccs2)sc1-c1ccnn1C(=O)NC(C)C 121317 HTWPMMZRUZDSPY-UHFFFAOYSA-N 332.454 4.010 0 30 EIAC CON=Cc1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1 254556869 TYESXVDRMQZDAU-UHFFFAOYSA-N 349.765 4.224 0 30 EIAC O=C(Nc1ccc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1)c1cc[n+]([O-])cc1 2265340027 CLSJCYTYVVQWJH-OMOYSXNNSA-N 348.446 4.040 0 30 EIAC O=C(O)[C@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl 137068 DDXHUKKFOWCFKU-WMLDXEAASA-N 335.831 4.037 0 30 EIAC CC[C@@H](C)c1cccc(OC(=O)N(C)C(=O)COc2ccccc2)c1 2018524 KJXDJOLKOLXZFF-OAHLLOKOSA-N 341.407 4.236 0 30 EIAC Cc1cc(C)c(C(=O)Nc2ccccc2)c(CC(C)(C)C(=O)O)c1 137994 YCJSLNUSGGTXOE-UHFFFAOYSA-N 325.408 4.209 0 30 EIAC Clc1ccc(-c2nnnn2Cc2c(Cl)cccc2Cl)cc1 116118 UILJQZPLBLVCBN-UHFFFAOYSA-N 339.613 4.349 0 30 EIAC FC(F)(F)c1ccc(NC(=S)N2CCSCC2)c(Cl)c1 110971 QXBZZPYDFIBWAM-UHFFFAOYSA-N 340.823 4.104 0 30 EIAC CC(C)(C)C(=O)[C@H](Oc1ccc(-c2ccccc2)cc1)n1cncn1 33986051 UKZCPXGKCGMLBY-IBGZPJMESA-N 335.407 4.138 0 30 EIAC COc1ccc([C@H]2C[C@@H]2C(C)=NOC(=O)c2ccc(F)cc2)cc1 4013400 JSTWPIVFSOQCCS-QZTJIDSGSA-N 327.355 4.171 0 30 EIAC c1ccc(-c2ccc([C@@H](c3ccccc3)N3CCNCC3)cc2)cc1 22124061 VADQOFSJMVECSB-HSZRJFAPSA-N 328.459 4.348 0 30 EIAC CC(=O)Oc1nc(-c2ccc(C(C)(C)C)cc2)n(-c2ccccc2)n1 104255 TXGDCPWOHHWKSN-UHFFFAOYSA-N 335.407 4.157 0 30 EIAC O=C(/C=C1\OC(=O)c2ccccc21)Oc1cc(Cl)cc(Cl)c1 74562 ZUMZOVJUMCNVKK-ZSOIEALJSA-N 335.142 4.110 0 30 EIAC CC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351365 GDSSWKSLDBUUPM-HQVUBJEZSA-N 331.500 4.103 0 30 EIAC CCOC(=O)c1cc(-c2csc(-c3ccc(Cl)cc3)n2)on1 123676 XNONXJFOHDZLRR-UHFFFAOYSA-N 334.784 4.295 0 30 EIAC COc1ccc(-c2cc(C(F)(F)F)n3nc(C4CC4)cc3n2)cc1 171359 MVXSNDYBJVEWKQ-UHFFFAOYSA-N 333.313 4.301 0 30 EIAC COc1ccc(C=CC(=O)NCc2ccc(F)cc2)c2ccccc12 2265279652 MZBSGXKLWQUYMR-UHFFFAOYSA-N 335.378 4.317 0 30 EIAC FC(F)(F)c1ccc(-c2n[nH]c(=S)n2Cc2ccco2)cc1 156645 VJUJXUVKRAZYEU-UHFFFAOYSA-N 325.315 4.268 0 30 EIAC CC(=O)c1sccc1NC(=O)CSCc1ccc(Cl)cc1 80729 HVIIVDYJDRQRAT-UHFFFAOYSA-N 339.869 4.476 0 30 EIAC Fc1c(I)cc(C(F)F)cc1C(F)(F)F 1857787573 DAKJKCQZTCKTJV-UHFFFAOYSA-N 340.004 4.387 0 30 EIAC Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2ccccc2n1 129511 RKRIEJVWUJWHRL-UHFFFAOYSA-N 329.359 4.451 0 30 EIAC OCc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 76809 JGBBYHSPXVGJQY-UHFFFAOYSA-N 327.249 4.340 0 30 EIAC CCOc1ccc(C=CC(=O)NCCc2ccc(Cl)cc2)cc1 2265279582 AWEXUBOOHJBJNH-UHFFFAOYSA-N 329.827 4.111 0 30 EIAC CC(C)(C)C(=O)[C@H](Cn1ccnc1)Oc1ccc(Cl)cc1Cl 824 JDSGUKVHXNGRIP-AWEZNQCLSA-N 341.238 4.253 0 30 EIAC in-man Sc1cc(Br)c(Br)c(Br)c1 88611636 VNMTYQDWZUNHPX-UHFFFAOYSA-N 346.869 4.263 0 30 EIAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC=CCC1 138943 RCNPNYYFKUWQHO-UHFFFAOYSA-N 337.206 4.359 0 30 EIAC Cc1cc(C)n(-c2nccc(Oc3cccc(C(F)(F)F)c3)n2)n1 21298929 GFYFUMNNRPZKQU-UHFFFAOYSA-N 334.301 4.090 0 30 EIAC CCOc1ccc(N[C@@]23SCC(=O)[C@@H]2CCc2ccccc23)cc1 104990 ZMLVZLBLPPGPPA-ICSRJNTNSA-N 339.460 4.229 0 30 EIAC C=C(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1c(Cl)cccc1Cl 604934918 UTLMXGAHEHUXJU-ITGUQSILSA-N 340.250 4.175 0 30 EIAC O=C(O)CC[C@@H]1CCCCCCCCC[C@@H](CCC(=O)O)C1=O 4300819 YIRDCOUZKYBLJD-GJZGRUSLSA-N 326.433 4.042 0 30 EIAC CC(C)(C)OC(=O)N1CCC([C@@H](O)c2ccccc2Cl)CC1 697366872 CNPBETQGTLZFLK-OAHLLOKOSA-N 325.836 4.021 0 30 EIAC O=S(=O)(c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2s1 106996 MHIBQDSGTITVMY-UHFFFAOYSA-N 344.244 4.436 0 30 EIAC Nc1ccc(C(CCNCc2ccccc2)c2ccc(N)cc2)cc1 2015753 WMROBZVOJIHZQS-UHFFFAOYSA-N 331.463 4.163 0 30 EIAC C[C@@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 31416696 LVVHEFJXPXAUDD-ZPMCFJSWSA-N 345.527 4.323 0 30 EIAC S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 5774025 RBJPSQKOKOVTKU-UHFFFAOYSA-N 325.481 4.457 0 30 EIAC O=C(OCCN1CCCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1 647 RBGWIGCQQIJVGI-OAQYLSRUSA-N 349.474 4.022 0 30 EIAC in-man CCOc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1 82784 YAKHWMQQVRRMHF-UHFFFAOYSA-N 331.315 4.298 0 30 EIAC Clc1ccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)cc1 91611 BWUCYRQUDXZMAM-UHFFFAOYSA-N 325.586 4.290 0 30 EIAC C/C=C(\C)C(=O)Nc1ccccc1C[C@H]1c2ccccc2CCN1C 20412875 MFIHINBTMKETRH-WHMRNBQXSA-N 334.463 4.363 0 30 EIAC COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1 143507 OWFAZMHCDLAVCB-UHFFFAOYSA-N 339.178 4.424 0 30 EIAC O=C(NCc1ccccn1)C1CCC(c2ccc(Cl)cc2)CC1 157167 ZTBLNVDCGDPZJR-UHFFFAOYSA-N 328.843 4.325 0 30 EIAC CN(C)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 158161 ZWBXFOPBAKAHDJ-UHFFFAOYSA-N 339.317 4.295 0 30 EIAC COc1ccc(Br)c(-c2nc(-c3cccs3)no2)c1 114301 XMACOPVVCPMEER-UHFFFAOYSA-N 337.198 4.236 0 30 EIAC CN1CCN(Cc2ccc3ccc(OCc4ccccc4)cc3c2)CC1 2265356061 DPINHEPKWKGQEC-UHFFFAOYSA-N 346.474 4.166 0 30 EIAC CS(=O)(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl 167421 VUDYAQGTRASRSZ-UHFFFAOYSA-N 332.208 4.157 0 30 EIAC COC(=O)[C@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 6020200 MDXGYOOITGBCBW-NSHDSACASA-N 340.297 4.438 0 30 EIAC CCN1CCC[C@@H]1CCOC(=O)C(c1ccccc1)c1ccccc1 1852380 IXKPRDSSKVNTLV-HXUWFJFHSA-N 337.463 4.236 0 30 EIAC O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1 71864489 KOIXLNLJQOSNOZ-DLBZAZTESA-N 349.352 4.006 0 30 EIAC O=C(O)Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2cc(Cl)ccc12 43130876 YDQDBRSFDWZTGQ-UHFFFAOYSA-N 348.185 4.333 0 30 EIAC CCOC(=O)c1sc(-c2cccc(F)c2C(F)(F)F)nc1C 199621089 NVHSZEFIHQPSQS-UHFFFAOYSA-N 333.306 4.453 0 30 EIAC Clc1ccc([C@@H]2OC(CCCN3CCCC3)=NN2Cl)cc1 604934877 IPCWXJWFKUWDNN-HNNXBMFYSA-N 328.243 4.014 0 30 EIAC O=C(O)CS[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 3126291 HVHMPUPKPOIZRO-INIZCTEOSA-N 334.824 4.472 0 30 EIAC C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 4789186 SXXRMGBMPQWUTB-HMGBVJPOSA-N 332.484 4.053 0 30 EIAC O=C(O)c1ccccc1C(=O)NCc1csc2ccc(Cl)cc12 147738 QYYVTKVUQCEQEB-UHFFFAOYSA-N 345.807 4.183 0 30 EIAC CC(C)(C)OC(=O)N(Cc1ccc(Cl)cn1)C(=O)OC(C)(C)C 306533790 HYGYJXNEEJQEFA-UHFFFAOYSA-N 342.823 4.407 0 30 EIAC O=C(CSc1nnc(C=Cc2ccccc2)o1)c1ccc(F)cc1 2265270040 CCEZQFXVGRLXEJ-UHFFFAOYSA-N 340.379 4.354 0 30 EIAC CCCc1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1ccccc1 147601 AIGXLSMVWMBCJA-UHFFFAOYSA-N 341.361 4.355 0 30 EIAC CCOC(=O)c1cnc(-c2cccs2)nc1Nc1ccccc1 124475 JEGHPKYWYPNOHF-UHFFFAOYSA-N 325.393 4.125 0 30 EIAC COc1cc2ncnc(Sc3ccc(Cl)cc3)c2cc1OC 4324126 QFELTKRZRDXOKV-UHFFFAOYSA-N 332.812 4.452 0 30 EIAC Cn1nc(C(F)(F)F)c(C=NO)c1Sc1ccc(Cl)cc1 254496898 FFYVMFCIRRKFNR-UHFFFAOYSA-N 335.738 4.052 0 30 EIAC C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@H]2N 2265351291 BRIXFWOBRNRTOA-ROMHJBHXSA-N 331.500 4.020 0 30 EIAC O=C1C=CC(=O)N1c1ccccc1Oc1ccc(Cl)cc1Cl 100267 YMQGHOIJNJOJOJ-UHFFFAOYSA-N 334.158 4.215 0 30 EIAC FC(F)(F)c1cccc(OCc2noc(-c3ccsc3)n2)c1 107675 RQGNJHATDBUUIW-UHFFFAOYSA-N 326.299 4.396 0 30 EIAC Cn1c(C(=O)N[C@@H]2CCOc3ccccc32)cc2cc(Cl)ccc21 644149502 WMYDPETTWXPDNN-OAHLLOKOSA-N 340.810 4.085 0 30 EIAC CC1(C)[C@H]2C[C@](C)(O)[C@H](S[C@H]3C[C@H]4[C@@H](C[C@]3(C)O)C4(C)C)C[C@H]21 1634963 VTOLOYGWYKBTJJ-YUWPGUDMSA-N 338.557 4.091 0 30 EIAC biogenic COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 97975403 ZYEPWFOAZRKWFN-NMLBUPMWSA-N 328.452 4.294 0 30 EIAC in-vitro CC(C)(C)OC(=O)N1CCC([C@H](O)c2cccc(Cl)c2)CC1 697364333 HZDQDYKIBYEVOS-HNNXBMFYSA-N 325.836 4.021 0 30 EIAC O=C(c1ccc(Cl)c(Cl)c1)N1CCC(Cn2cccc2)CC1 42782928 XOCSGZGMGCCUDY-UHFFFAOYSA-N 337.250 4.347 0 30 EIAC Cn1c(C(=O)N[C@H]2CCOc3ccccc32)cc2cc(Cl)ccc21 644149501 WMYDPETTWXPDNN-HNNXBMFYSA-N 340.810 4.085 0 30 EIAC COc1cc2c(cc1OC)C(c1cccc(Cl)c1)=NN=C(C)C2 340 VQYLGVVODFDFNK-UHFFFAOYSA-N 328.799 4.127 0 30 EIAC in-man COc1ccccc1C1CCN(C(=O)c2ccccc2Cl)CC1 83382 MSNGYVQHJIJLAQ-UHFFFAOYSA-N 329.827 4.368 0 30 EIAC CCOc1ccc(N[C@]23SCC(=O)[C@@H]2CCc2ccccc23)cc1 104993 ZMLVZLBLPPGPPA-AZUAARDMSA-N 339.460 4.229 0 30 EIAC C=CCN1C(=O)C(=NNc2ccc(Cl)c(Cl)c2)c2ccccc21 254371795 BQFKIKSDWCYOPQ-UHFFFAOYSA-N 346.217 4.342 0 30 EIAC CN(C)CC[C@@H](N(C)C)N1c2ccccc2Sc2ccccc21 38609725 LHXFABHFWZZULJ-IBGZPJMESA-N 327.497 4.129 0 30 EIAC Cc1ccc2cc(NC(=O)C[C@@H](CC(=O)O)c3ccccc3)ccc2n1 152793 WGTQIQRGBMTRIH-KRWDZBQOSA-N 348.402 4.130 0 30 EIAC NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 21016233 QUFWIDQUOJYCGA-AWEZNQCLSA-N 327.280 4.113 0 30 EIAC Cc1ccc2cccc(OS(=O)(=O)c3ccc(C(C)C)cc3)c2n1 6500221 BVQJFKYFUVYCKT-UHFFFAOYSA-N 341.432 4.434 0 30 EIAC CCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 111415404 FCCANCPXZRMTTF-VHEBQXMUSA-N 348.790 4.482 0 30 EIAC Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)c2ccc(C)c(Cl)c2)cc1 129023 GLAKUOGZIAANQC-ZDUSSCGKSA-N 336.840 4.002 0 30 EIAC CC(C)c1cc2c(c(C(C)C)c1)S(=O)(=O)c1ccccc1C2=O 38635271 XAZBVVXKLAGKLA-UHFFFAOYSA-N 328.433 4.311 0 30 EIAC Clc1ccc([C@]2(c3ccccc3)OC[C@@H]([C@H]3CCCCN3)O2)cc1 255997779 QSUPYZROBSIPRZ-HSALFYBXSA-N 343.854 4.099 0 30 EIAC O=c1nc(-c2ccccc2)c2cc(Cl)ccc2n1CC(F)(F)F 1476 OAIZNWQBWDHNIH-UHFFFAOYSA-N 338.716 4.279 0 30 EIAC in-man FC(F)(F)c1ccncc1-c1nnc(-c2cccc(Cl)c2)o1 77505 DZYAJJBMGFPDBZ-UHFFFAOYSA-N 325.677 4.471 0 30 EIAC FC(F)(F)c1ccc(-c2cc(C(F)(F)F)n3nccc3n2)cc1 115928548 QSNLGYFUOJQWDY-UHFFFAOYSA-N 331.219 4.434 0 30 EIAC O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(F)c(F)c2)S1 2265276305 PSOBQTLPAISQGD-UHFFFAOYSA-N 333.315 4.081 0 30 EIAC COc1ccc([C@H]2c3ccsc3CCN2C(=O)NC(C)(C)C)cc1 112814 GPZLXETWYWTFIY-KRWDZBQOSA-N 344.480 4.212 0 30 EIAC CCOC(=O)c1cc(-c2csc(-c3cccc(Cl)c3)n2)on1 123678 NMTHCTGLLLXDOK-UHFFFAOYSA-N 334.784 4.295 0 30 EIAC Nc1cc(Cc2cc(N)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 138152 OMCQWROUUILBSU-UHFFFAOYSA-N 334.263 4.479 0 30 EIAC Cn1ccnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1 172934 HDCJYMDMHSKQHA-UHFFFAOYSA-N 329.469 4.199 0 30 EIAC CCc1ccccc1NC(=O)c1scc(Br)c1OC 82877 KOGBVDMMNSSWGX-UHFFFAOYSA-N 340.242 4.334 0 30 EIAC FC(F)(F)c1cccc(-c2nnc(SCc3ccccc3)o2)n1 127142 ZCWMZYDMAURRSZ-UHFFFAOYSA-N 337.326 4.443 0 30 EIAC CCCCC[C@H](O)/C=C/C1=CCC(=O)[C@@H]1CCCCCCC(=O)O 4096509 PUIBPGHAXSCVRF-QHFGJBOXSA-N 336.472 4.424 0 30 EIAC in-man Cc1onc(-c2c(Cl)cccc2Cl)c1C(=S)N=CN(C)C 254559780 IIKTWUWORHTRKZ-UHFFFAOYSA-N 342.251 4.222 0 30 EIAC Cc1ccc2c(c1)CCCN2C(=O)c1cnn(-c2ccc(F)cc2)c1C 146383 DSIYQZUYEGMSEX-UHFFFAOYSA-N 349.409 4.221 0 30 EIAC CCOC(=O)c1ccc(OC(=O)/C=C/c2cccs2)c(Cl)c1 73942 CBLLKWVKQLPJQF-SOFGYWHQSA-N 336.796 4.197 0 30 EIAC O=P[C@@](O)(CCCCc1ccccc1)C(=O)OCc1ccccc1 199509445 GJOGLBJZROSMPE-IBGZPJMESA-N 344.347 4.123 0 30 EIAC Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)ncn3C)s1 352583666 MTTXNGNVAWCQBO-UHFFFAOYSA-N 348.431 4.258 0 30 EIAC Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)Nc1ccccc1 36047245 LKNMARXMBYHUPE-UHFFFAOYSA-N 336.416 4.306 0 30 EIAC O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccccn1 101295 LKIZFXHDGVXYHB-AWEZNQCLSA-N 325.220 4.167 0 30 EIAC CCOC(=O)c1cnc2cc(C)c(Br)c(C)c2c1Cl 232041789 FKUFTOCSTKEFOB-UHFFFAOYSA-N 342.620 4.444 0 30 EIAC CC(C)(C)SCCNC(=O)c1cccnc1Oc1ccccc1 3170824 XGGDHWLIFRJDNU-UHFFFAOYSA-N 330.453 4.135 0 30 EIAC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2ccccc2n1 152102 XLKAIDXKYYUJOW-UHFFFAOYSA-N 331.297 4.209 0 30 EIAC COc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCNCC1 22062261 ARUFAUXFQSCDIE-UHFFFAOYSA-N 340.854 4.028 0 30 EIAC in-vitro CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351366 GDSSWKSLDBUUPM-JHIKAQFYSA-N 331.500 4.103 0 30 EIAC COc1ccc(Cl)cc1NC(=O)Nc1ccc(C(F)(F)F)cn1 1034068 MHOSSFGWJVTYKI-UHFFFAOYSA-N 345.708 4.406 0 30 EIAC Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(Cc2ccccc2)n1 65772185 FRKCJYHCVRFZIW-UHFFFAOYSA-N 342.349 4.162 0 30 EIAC Cn1c(Cc2ccsc2)nnc1SCc1ccc(Cl)cc1 120997 FMJHXTCOJYTURX-UHFFFAOYSA-N 335.885 4.413 0 30 EIAC O=C(Nc1ccc2[nH]nnc2c1)c1sc2ccccc2c1Cl 67750 KNDCBFNQHCGLIZ-UHFFFAOYSA-N 328.784 4.078 0 30 EIAC CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1 105517474 OWGJQNXIWMMDTH-MYGLTJDJSA-N 339.479 4.087 0 30 EIAC CC(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 4212893 UPMOVJBGNREKJV-CQOQZXRMSA-N 347.502 4.455 0 30 EIAC in-man COc1ccccc1NC(=S)NCc1csc2ccccc12 69414 IBBXXOUSSOGKGV-UHFFFAOYSA-N 328.462 4.397 0 30 EIAC CN(C)C=C(C=Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 2265279167 XALLWRGTNHOFQL-UHFFFAOYSA-N 347.867 4.230 0 30 EIAC O=C1OC(=CNOCc2c(Cl)cccc2Cl)c2ccccc21 2265279430 ZPWRKBXYYSMKLX-UHFFFAOYSA-N 336.174 4.184 0 30 EIAC CC(C)(C)OC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 390775450 OGDNBQKSDVOUIH-CYBMUJFWSA-N 340.261 4.249 0 30 EIAC CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)nc1 68774918 CZIKEIVSKUQVEO-UHFFFAOYSA-N 347.802 4.334 0 30 EIAC CSc1nnc(C)c(C=CNc2ccc(Cl)c(Cl)c2)n1 2265276536 WHEXCLVRAWQHIT-UHFFFAOYSA-N 327.240 4.292 0 30 EIAC CCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2 4336123 WUIQZACHAGLCKW-UHFFFAOYSA-N 330.453 4.436 0 30 EIAC COc1nccc(C(F)(F)F)c1C(=O)Nc1ccc(Cl)cc1 78113 PTIKRRAXGXNRTQ-UHFFFAOYSA-N 330.693 4.015 0 30 EIAC CC1CCN(c2ccc(C(=O)c3ccc(Cl)cc3)cc2N)CC1 604934913 UHNXLKSGSMXHIV-UHFFFAOYSA-N 328.843 4.390 0 30 EIAC O=C(NCc1ccc(-c2csnn2)cc1)Nc1ccc(Cl)cc1 106462 VWCOPWGAHHNHFS-UHFFFAOYSA-N 344.827 4.180 0 30 EIAC C[S@@](=O)(=NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 100218605 ZBPQVZYZJDOKPQ-QFIPXVFZSA-N 327.327 4.003 0 30 EIAC O=C1CS[C@@H](c2cccnc2)N1c1ccc(Cl)cc1Cl 99536 SMIUVUVGXOZUFW-AWEZNQCLSA-N 325.220 4.167 0 30 EIAC CC1CC(=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C1 2154593 LKODKNPZCHEBQG-UHFFFAOYSA-N 339.235 4.014 0 30 EIAC COc1ccc(-n2c(-c3ccc(Cl)cc3)csc2=N)cc1OC 4306913 KAQGNOVKYGJJOC-UHFFFAOYSA-N 346.839 4.356 0 30 EIAC CC(C)(C)OC(=O)N1Cc2c(Br)cccc2C2(CC2)C1 216029881 BJPVQXQSGMGLDB-UHFFFAOYSA-N 338.245 4.231 0 30 EIAC C[C@@H]1C[C@H](NC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@@H]23)CC(C)(C)C1 252427765 DZRCPDNBURVKIV-ZNLWFRPKSA-N 332.557 4.266 0 30 EIAC COc1ccccc1C1CCN(C(=S)Nc2ccc(F)cc2)CC1 83291 HODSTDVNRQQHBQ-UHFFFAOYSA-N 344.455 4.411 0 30 EIAC O=C1CCC(=O)N1c1ccccc1Oc1ccc(Cl)cc1Cl 100271 PZAYULLRNYUVEL-UHFFFAOYSA-N 336.174 4.439 0 30 EIAC CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(OC(F)(F)F)cc12 95616894 BKAUGGPEGMHRFM-UHFFFAOYSA-N 344.333 4.134 0 30 EIAC O=C(O)CC1(CC(=O)Nc2ccc(F)c(Cl)c2)CCCCC1 129818 QIAZRXXEOWCIJS-UHFFFAOYSA-N 327.783 4.233 0 30 EIAC O=[N+]([O-])c1cccc(C=NOCc2ccc(Cl)cc2Cl)c1 254568028 ZIFVCSOHVFNVOL-UHFFFAOYSA-N 325.151 4.452 0 30 EIAC O=C(C=Cc1ccc(OCCCF)cc1)NCc1ccc(Cl)cc1 2265269973 ITVAFUIMSAPCBG-UHFFFAOYSA-N 347.817 4.408 0 30 EIAC Cc1ccc(NC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 103993 ULVVPXIGSRLDFJ-UHFFFAOYSA-N 331.371 4.467 0 30 EIAC O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 164771 ULAGTMKVFZYXLO-QHHAFSJGSA-N 336.174 4.374 0 30 EIAC Cc1cc(Nc2ccc(F)c(Cl)c2)nc(NC(=O)C(C)(C)C)n1 1044819 ZOXZZKREEHIAJG-UHFFFAOYSA-N 336.798 4.306 0 30 EIAC C[C@@H](NC(=O)OCc1ccccc1)c1cccc(Br)c1 142292203 WUKNNBIUNQMMQF-GFCCVEGCSA-N 334.213 4.437 0 30 EIAC CN1CCc2cc(Cl)c(O)cc2[C@H](c2cccc3ccoc23)C1 6523795 RUSANBIFMAXXSJ-INIZCTEOSA-N 327.811 4.412 0 30 EIAC in-vitro CC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351362 GDSSWKSLDBUUPM-BLLPDLTASA-N 331.500 4.103 0 30 EIAC O[C@@H](CNCc1ccc(Cl)c(Cl)c1)Cn1ccc2ccccc21 117348 VNALUZQJUWTCND-HNNXBMFYSA-N 349.261 4.099 0 30 EIAC O=C(Nc1scc2c1c(=O)oc1ccccc12)c1ccc(F)cc1 1036643 CLEHQBZOOQBVMI-UHFFFAOYSA-N 339.347 4.399 0 30 EIAC Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NC(C)C 115055 UDDIVTXMMQMBBW-UHFFFAOYSA-N 328.199 4.487 0 30 EIAC O=S(=O)(Cc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 12369646 CBRMLYPZPQQJEV-UHFFFAOYSA-N 349.864 4.437 0 30 EIAC Cc1nc(C)c(C(=O)NCCc2cn(C(C)C)c3ccccc23)s1 888103871 GXLMDVPPCANCLU-UHFFFAOYSA-N 341.480 4.268 0 30 EIAC C[C@]1(CCN2CCCCC2)C(=O)N(Cc2ccccc2)c2ccccc21 2009441 DXAAZSDJHWZWPD-HSZRJFAPSA-N 348.490 4.367 0 30 EIAC Cc1cc(Nc2ccccc2C(=O)O)n(-c2cccc(Cl)c2)n1 81189 YUKYIGWFVCEKLX-UHFFFAOYSA-N 327.771 4.276 0 30 EIAC CCC[C@H]1c2ccsc2CCN1C(=O)c1cc(OC)cc(OC)c1 106831 WVZWGDHXUJAZJC-KRWDZBQOSA-N 345.464 4.305 0 30 EIAC CN1[C@H]2CC[C@H]1CN([C@H](c1ccccc1)c1ccc(Cl)cc1)C2 256008449 WDECDYIZHLLLNN-SLFFLAALSA-N 326.871 4.208 0 30 EIAC CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 4098588 OWGJQNXIWMMDTH-COPRSSIGSA-N 339.479 4.087 0 30 EIAC biogenic,in-vitro CCCCOC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1 36048344 PTWCGISSVVTZFI-UHFFFAOYSA-N 332.347 4.124 0 30 EIAC C[C@@H](C(=O)OCCN1CCCCC1)c1ccc(-c2ccccc2)cc1 138230185 TXUUZUOJVSQWRL-GOSISDBHSA-N 337.463 4.486 0 30 EIAC CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 44063015 HVSZSQTXGPWWNS-UHFFFAOYSA-N 331.243 4.051 0 30 EIAC FC(F)(F)c1ccc(I)c(C(F)(F)F)c1 148986811 NSSWBKOKJVZIEX-UHFFFAOYSA-N 340.004 4.329 0 30 EIAC CN(C(=O)OC(C)(C)C)c1c[nH]c2ccc(Br)cc12 238288512 CMMMFYRAXMNASY-UHFFFAOYSA-N 325.206 4.302 0 30 EIAC Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 1616057476 VXGGTRPUNXYLID-UHFFFAOYSA-N 349.411 4.007 0 30 EIAC O=C1CS[C@H](c2cccnc2)N1Cc1ccc(Cl)cc1Cl 99563 QEUQNLNBOLGANT-OAHLLOKOSA-N 339.247 4.163 0 30 EIAC Cc1nc(-c2ccncc2)ncc1-c1nsc(Nc2ccccc2)n1 108281 VBMLQWDCEXAYCY-UHFFFAOYSA-N 346.419 4.109 0 30 EIAC O=C(CSc1nccc(-c2cccs2)n1)c1ccc(F)cc1 148195 YCDUUGMBCPACTI-UHFFFAOYSA-N 330.409 4.319 0 30 EIAC COC(=O)c1cnc(Sc2ccc(Cl)cc2)nc1C(F)(F)F 82384 QSMLICSASCYDRQ-UHFFFAOYSA-N 348.733 4.087 0 30 EIAC Clc1ccc([C@]2(c3ccccc3)OC[C@H]([C@H]3CCCCN3)O2)cc1 255997780 QSUPYZROBSIPRZ-VAMGGRTRSA-N 343.854 4.099 0 30 EIAC CC(C)(C)OC(=O)N1Cc2ccc(Br)cc2C2(CC2)C1 216051332 CQNXYAZGLRIALR-UHFFFAOYSA-N 338.245 4.231 0 30 EIAC in-vitro Cn1c(CSc2cccs2)nnc1SCc1ccccc1 148794 RRRGBWJQGJNXRM-UHFFFAOYSA-N 333.507 4.461 0 30 EIAC Cn1c(SCc2ccccc2)nnc1-c1ccc2ncccc2c1 171343 CBWTXXCSXKCYTK-UHFFFAOYSA-N 332.432 4.323 0 30 EIAC Cc1cc(Br)ccc1NC(=S)N1CCCCCC1 72983 AKFUEFOYPKULKN-UHFFFAOYSA-N 327.291 4.330 0 30 EIAC O=C(Nc1ccc(-c2csnn2)cc1)c1ccccc1C(F)(F)F 106335 ZNOAXAXHQVRXQB-UHFFFAOYSA-N 349.337 4.476 0 30 EIAC FC(F)(F)c1cc(-c2noc(-c3ccno3)n2)cc(C(F)(F)F)c1 114140 WCFLTYFYSMPYAO-UHFFFAOYSA-N 349.190 4.429 0 30 EIAC Cc1c(C(O)(c2ccccc2)c2ccccc2)oc2ccccc2c1=O 32132401 WRDOPNHEMGPDLY-UHFFFAOYSA-N 342.394 4.386 0 30 EIAC CCCCCCCCCCCC/C=C/[C@@H]1CC(=O)N(CCO)C1=O 111879181 IZWYOWSXBHHHGW-KAUXGEHWSA-N 337.504 4.221 0 30 EIAC O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(Cl)cc1 121496 ORDHBCWVOKHTSQ-UHFFFAOYSA-N 346.761 4.485 0 30 EIAC Cc1nccc(-c2cccc(NC(=O)c3nc4ccccc4s3)c2)n1 131122 PQEILOPDJOMKBC-UHFFFAOYSA-N 346.415 4.314 0 30 EIAC O=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)c1ccsc1 206448093 QWOPLEJDCXUAPO-UHFFFAOYSA-N 338.384 4.043 0 30 EIAC COc1cc2c(cc1OC)C(c1c(-c3ccccc3)noc1C)=NCC2 68244 GSNGPIFGSDKLIH-UHFFFAOYSA-N 348.402 4.061 0 30 EIAC COc1ccc(Oc2ccc(NC(=O)Cc3cccs3)cn2)cc1 131875 LBDRIFRRNQRXOT-UHFFFAOYSA-N 340.404 4.125 0 30 EIAC COC(=O)[C@H](C)CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 21987972 IVNBWLOUAJYGFJ-ODXCJYRJSA-N 334.456 4.381 0 30 EIAC CC(C)OC(=O)Nc1cc(-c2ccc(F)cc2F)sc1C(=O)O 953000319 LQTUVTQQZGKYAV-UHFFFAOYSA-N 341.335 4.348 0 30 EIAC CC(C)(C)c1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1 119544 PQLHUQVEDOWPJK-UHFFFAOYSA-N 338.432 4.206 0 30 EIAC O=C(c1ccccc1)[C@H]1ON=C(c2ccccc2)[C@@H]1c1ccccc1 32131853 FCGCZYILUOHFKY-UGKGYDQZSA-N 327.383 4.456 0 30 EIAC CON=Cc1c(SCc2ccc(Cl)cc2)nc2sccn12 254288533 SNKDJLNWKWHGCV-UHFFFAOYSA-N 337.857 4.322 0 30 EIAC C[C@H]1CC2=C(CCC3(C2)OCCO3)[C@@H]2CC[C@]3(C)C(=O)CC[C@@H]3[C@H]12 97743698 XNJSTNUYCHRSRZ-KXWWDSEFSA-N 330.468 4.261 0 30 EIAC in-vitro CON=C(C)C(Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 254818718 KWPYRODYOJFYSY-UHFFFAOYSA-N 338.238 4.207 0 30 EIAC CN(Cc1ccccc1)C1=C([Si](C)(C)C)[C@H]([Si](C)(C)C)C(=O)O1 195951215 DMWSTWUJINMXFP-INIZCTEOSA-N 347.607 4.473 0 30 EIAC O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1 299806253 KOIXLNLJQOSNOZ-IRXDYDNUSA-N 349.352 4.006 0 30 EIAC c1ccc(-c2n[nH]c(Sc3nc(-c4cccs4)ns3)n2)cc1 127404 AHVHAOXVAUASEY-UHFFFAOYSA-N 343.462 4.203 0 30 EIAC O=C(Nc1c(F)cc(F)cc1Br)c1ccccc1F 166569 FTHSTEZWRQJRBG-UHFFFAOYSA-N 330.103 4.119 0 30 EIAC CCN1CCC[C@H]1CCOC(=O)C(c1ccccc1)c1ccccc1 1852376 IXKPRDSSKVNTLV-FQEVSTJZSA-N 337.463 4.236 0 30 EIAC O=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 3120076 RUKXPIPXMXSUKU-UHFFFAOYSA-N 349.287 4.283 0 30 EIAC C[C@H](C(=O)OCCN1CCCCC1)c1ccc(-c2ccccc2)cc1 138230119 TXUUZUOJVSQWRL-SFHVURJKSA-N 337.463 4.486 0 30 EIAC ON=Cc1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3 254293140 WRJCZVRIWCMUJK-UHFFFAOYSA-N 331.828 4.403 0 30 EIAC CCN(CC)CCSCC(=O)Nc1c(Cl)cccc1Cl 2012172 HAUNPEDICOSPOR-UHFFFAOYSA-N 335.300 4.007 0 30 EIAC CCCCC/C=C/C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)O 90427327 VNYSSYRCGWBHLG-RXLHPBQSSA-N 336.472 4.158 0 30 EIAC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 96030488 BMVMDJLEAWSOBJ-JSQCKWNTSA-N 330.468 4.162 0 30 EIAC in-vitro O=C(N[C@@H]1CCCc2ccccc21)C1=Cc2cc(Cl)ccc2OC1 152254 GPFMCKVYKVDOBZ-GOSISDBHSA-N 339.822 4.310 0 30 EIAC O=C1CS[C@@H](c2cccnc2)N1c1ccc(Cl)c(Cl)c1 99548 QJVFNMFMVSTQDB-AWEZNQCLSA-N 325.220 4.167 0 30 EIAC O=C(CSc1nccc(-c2ccco2)n1)Nc1ccccc1Cl 172383 KXSDWFFBJUDZKX-UHFFFAOYSA-N 345.811 4.121 0 30 EIAC COc1ccc2nc(Cl)c(CN(C(C)=O)C3CCCC3)cc2c1 412374 FZRUTKXVOSPXLL-UHFFFAOYSA-N 332.831 4.188 0 30 EIAC O=C(c1ccccc1)[C@@H]1ON=C(c2ccccc2)[C@H]1c1ccccc1 32131855 FCGCZYILUOHFKY-DENIHFKCSA-N 327.383 4.456 0 30 EIAC OCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 204998528 AHJRDAJMQPRPKC-UHFFFAOYSA-N 339.398 4.365 0 30 EIAC O=C(Nc1cccc(C(F)(F)F)c1)Nc1nnc(C2CC2)s1 4333972 ZSZWIHCVVXIZJK-UHFFFAOYSA-N 328.319 4.078 0 30 EIAC N#Cc1c(C(=O)c2ccccc2)nn(-c2ccccc2)c1-c1ccco1 6222800 JUWNRADQHMAWSO-UHFFFAOYSA-N 339.354 4.235 0 30 EIAC CCCC(CCC)(C[C@H](CO)C(CCC)(CCC)C(=O)O)C(=O)O 141861128 QBHWYZWITQQHNL-OAHLLOKOSA-N 344.492 4.327 0 30 EIAC O=C(C1=NNC[C@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 161760 IFQPBZJRIGEGLS-SFHVURJKSA-N 334.806 4.419 0 30 EIAC Clc1ccc(C2=NN[C@H](c3ccc(Cl)c(Cl)c3)N2)cc1 3179613 BNUWZKMXJKUWTI-CQSZACIVSA-N 326.614 4.200 0 30 EIAC Cc1ccc(SCCS(=O)(=O)c2ccc(Cl)cc2)cc1 165200 GJYQVNBKKNWGJO-UHFFFAOYSA-N 326.870 4.214 0 30 EIAC CSC1=Nc2sc3c(c2[C@H](c2ccccc2)N1N)CCCC3 33900439 KRYYTWWDSXXZPL-HNNXBMFYSA-N 329.494 4.256 0 30 EIAC CCc1cc(C2CC2)nc(NC(=O)c2cc3cc(F)ccc3o2)n1 1615540331 PGZBJMCXDXWHRC-UHFFFAOYSA-N 325.343 4.054 0 30 EIAC BrCc1sc(Br)cc1Br 214875466 JUXLLONCMPFVSH-UHFFFAOYSA-N 334.858 4.168 0 30 EIAC COc1cc(N2C(=O)CS[C@@H]2c2ccccc2)c(OC)cc1Cl 67310 AEKBABUVOLGTHL-QGZVFWFLSA-N 349.839 4.136 0 30 EIAC CN1C(=O)CN=C(C2(Cl)CCCCC2)c2cc(Cl)ccc21 5996063 VCBSSHVDTFGHBF-UHFFFAOYSA-N 325.239 4.047 0 30 EIAC COc1ccc(C(=O)CSc2nccc(-c3cccs3)n2)cc1 148396 JDPIPLNGLSUPBY-UHFFFAOYSA-N 342.445 4.189 0 30 EIAC Cc1ccc(-c2nc(-c3ccc(OCC(F)(F)F)nc3)no2)cc1 124555 LEFBNYAQFHQHRG-UHFFFAOYSA-N 335.285 4.048 0 30 EIAC O=C(c1ccccc1)[C@@H]1ON=C(c2ccccc2)[C@@H]1c1ccccc1 32131851 FCGCZYILUOHFKY-SIKLNZKXSA-N 327.383 4.456 0 30 EIAC O=C(CSc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1 127559 QPUMHSLZOIAHJM-UHFFFAOYSA-N 337.794 4.233 0 30 EIAC O=C(c1cnn(-c2ccccc2)c1)c1cc(Cl)c(Cl)cc1O 90711601 JGEAFQJKLOXJNG-UHFFFAOYSA-N 333.174 4.116 0 30 EIAC CSc1sc(Br)c(Cl)c1S(=O)(=O)C(C)C 125103 JTCMUDOVFNAXIW-UHFFFAOYSA-N 349.724 4.068 0 30 EIAC CC(C)NC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1 77711 ZFYOLAGNXGODPK-UHFFFAOYSA-N 329.347 4.359 0 30 EIAC O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 110147 RARQUIVHAYUUJU-UHFFFAOYSA-N 327.811 4.075 0 30 EIAC Clc1ccc2c(SCc3nn[nH]n3)c(-c3ccccc3)[nH]c2c1 138587039 IFSMCYVLXPCAFR-UHFFFAOYSA-N 341.827 4.294 0 30 EIAC O=C1CC2(CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CN1 888084693 BYSSHBNJJQGEGE-UHFFFAOYSA-N 348.490 4.138 0 30 EIAC Cn1c(=O)c2cccc3cccc(c32)[s+]1-c1ccccc1C(=O)O 4301007 OHSNABJYSPTIDS-UHFFFAOYSA-O 336.392 4.128 0 30 EIAC CN1Cc2cc(C=O)c3ccccc3c2N(C)Cc2cc(F)ccc21 34432670 XTUNOLRCYXAEHB-UHFFFAOYSA-N 334.394 4.378 0 30 EIAC CC(C)(C)OC(=O)N(c1ccccc1)[C@@H](Cc1ccccc1)C(=O)O 221011409 ZRXGAVWQBVWIJD-KRWDZBQOSA-N 341.407 4.124 0 30 EIAC CC(C)c1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2CCO)cc1 4389071 OVCZOLKPFIIYMW-IFMALSPDSA-N 334.463 4.126 0 30 EIAC COc1cc(C(=O)c2c(C)c(C)c(C)c(C)c2C)cc(OC)c1OC 137316 DXCHYIFNPKZJIY-UHFFFAOYSA-N 342.435 4.486 0 30 EIAC O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nsnc2c1 12340880 JWOHGVWSKIRVSB-UHFFFAOYSA-N 338.314 4.354 0 30 EIAC O=C(O)CC[C@@H]1CCCCCCCCC[C@H](CCC(=O)O)C1=O 4300818 YIRDCOUZKYBLJD-GASCZTMLSA-N 326.433 4.042 0 30 EIAC O=C(O[C@H]1C(=Cc2ccccc2F)N2CCC1CC2)c1cccs1 2265276935 XEAIMZYXBXPQHV-GOSISDBHSA-N 343.423 4.179 0 30 EIAC COc1cccc(CC(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 66614 RRUBGZVGYAYPBI-UHFFFAOYSA-N 338.432 4.308 0 30 EIAC Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCc2ccccc21 152250 XATJJZWRZHLCRP-HNNXBMFYSA-N 334.341 4.216 0 30 EIAC CC(C)c1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2CCO)cc1 105057 OVCZOLKPFIIYMW-RBBKRZOGSA-N 334.463 4.126 0 30 EIAC O=C(NC(=O)c1ccccc1F)OCc1ccc(Cl)cc1Cl 166755 BOVHEHORTGZFRG-UHFFFAOYSA-N 342.153 4.199 0 30 EIAC O=C(C=Cc1ccccc1)Nc1ncccc1OCc1ccccc1 2265241347 FUZYIRIXUSZZAS-UHFFFAOYSA-N 330.387 4.313 0 30 EIAC CC(C)COC(=O)c1cn(C2CCCCC2)c2ccccc2c1=O 83673 PVEFVHNWLWRACO-UHFFFAOYSA-N 327.424 4.320 0 30 EIAC CC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@@]21C 6066709 SYVXMCCIFBTGFR-RJZNOWKXSA-N 344.495 4.084 0 30 EIAC CCOc1ccccc1/C=C1/N=C(c2cccc(Cl)c2)OC1=O 70789 XDNJQCIGWPSQSK-RVDMUPIBSA-N 327.767 4.083 0 30 EIAC COc1ccccc1C(=O)ON=Cc1c(Cl)n(C)c2ccccc12 254823115 KJFJYIXBUSYILO-UHFFFAOYSA-N 342.782 4.031 0 30 EIAC COc1ccc(Cc2nnc(Nc3c(C)cccc3C)o2)cc1OC 100515 UMXJVWCGAJJJMV-UHFFFAOYSA-N 339.395 4.038 0 30 EIAC O=S(=O)(Oc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 3170790 FODOFUZTIQMLKL-UHFFFAOYSA-N 337.611 4.415 0 30 EIAC Cc1c(C(=O)N(Cc2ccccc2)C(C)C)cnn1-c1ccccc1 154814 DTNSMRJFACGCEY-UHFFFAOYSA-N 333.435 4.232 0 30 EIAC CSc1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1 2168 WNYGTKAHASSKJM-UHFFFAOYSA-N 326.373 4.013 0 30 EIAC in-man Cc1c(C(=O)CSc2ncccc2C(=O)O)sc2ccccc12 81217 OBEOAQSBKMLKAH-UHFFFAOYSA-N 343.429 4.278 0 30 EIAC Cc1cc(Br)ccc1-n1c(=S)[nH]c2ccccc2c1=O 98698 MJEGTCDTXCYDSE-UHFFFAOYSA-N 347.237 4.119 0 30 EIAC CCCCC/C=C\C[C@@H]1O[C@H]1[C@H](O)/C=C\C/C=C\CCCC(=O)O 8860444 DWNBPRRXEVJMPO-OANGEUSWSA-N 336.472 4.399 0 30 EIAC in-vitro COc1cccc(-c2c(OC)cccc2[C@H]2CCCCN(C)C2=O)c1 136418 QMRJPLKYQKRNTO-GOSISDBHSA-N 339.435 4.097 0 30 EIAC CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N 112967629 PDLCDTRXIQXHIL-UHFFFAOYSA-N 332.766 4.147 0 30 EIAC O=C(O[C@H]1CCSC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 142077 LAZVDVUUUPPLPG-JTQLQIEISA-N 344.276 4.387 0 30 EIAC O=C(Nc1ccccc1)C(C(=O)Nc1ccccc1)c1ccccc1 81039 HPPAJDHPWWNGDM-UHFFFAOYSA-N 330.387 4.048 0 30 EIAC CSc1nsc(SC)c1C(=O)Nc1ccc(Cl)cc1 105822 MJHNUHGVMRGDNT-UHFFFAOYSA-N 330.887 4.493 0 30 EIAC biogenic CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](O)c2cccc(Cl)c2)C1 88365651 ADRSZIQSSXPARX-UKRRQHHQSA-N 325.836 4.021 0 30 EIAC CC(C)(C)c1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1 152757 TYPJGVUNWVTXCI-UHFFFAOYSA-N 326.396 4.399 0 30 EIAC CCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O 28539161 PFSGUIFKRGNSHV-HNNXBMFYSA-N 331.522 4.230 0 30 EIAC O=C(O)[C@@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl 137070 DDXHUKKFOWCFKU-PBHICJAKSA-N 335.831 4.037 0 30 EIAC Cc1nn(Cc2nc(C(C)(C)C)cs2)c(C)c1Br 125982 ZUJQFJVPPJWRHK-UHFFFAOYSA-N 328.279 4.065 0 30 EIAC O=C(O)C1=CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 6095717 NNHFTYXKYCVPFN-UHFFFAOYSA-N 333.431 4.225 0 30 EIAC CC[N+](C)(CC)CCOC(=O)[C@@H](c1ccccc1)C1CCCCC1 31623097 XSGBQYOBOAAWCG-FQEVSTJZSA-N 332.508 4.380 0 30 EIAC CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 953025843 LWVDFBHSCBOYOQ-REPLKXPHSA-N 344.499 4.439 0 30 EIAC CCN(CC)c1ccc(NC(=O)C2CCCCC2)c(N(CC)CC)n1 112332 VQJBUZXJGOTJOK-UHFFFAOYSA-N 346.519 4.293 0 30 EIAC S=C(N[C@H](Cc1ccccc1)c1ccccc1)N[C@@H]1C[C@H]2C=C[C@H]1C2 100234531 UOCRDSBKJFJJCQ-MJUUVYJYSA-N 348.515 4.399 0 30 EIAC CC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 2265378658 FJCZUQAUQMQCJO-HNNXBMFYSA-N 338.632 4.328 0 30 EIAC Cc1n[nH]c(=O)c(-c2c(F)cccc2F)c1-c1ccc(Cl)cc1 26522302 MDBKEFHMMTUWBW-UHFFFAOYSA-N 332.737 4.344 0 30 EIAC COc1cc(C(F)(F)F)c(C(=O)N(C)c2ccc(Cl)cc2)cn1 77714 PFRSUJZPKONYCC-UHFFFAOYSA-N 344.720 4.039 0 30 EIAC Cc1ccc(N)c([C@]2(c3ccccc3)NC(=S)N2c2ccccc2)c1 33901845 SQITUSNCJFSPHB-OAQYLSRUSA-N 345.471 4.173 0 30 EIAC Cc1nc2ccccc2nc1NN=Cc1ccc(Br)cc1 254616421 FSSAILMYUGHFFB-UHFFFAOYSA-N 341.212 4.147 0 30 EIAC CC(C)(C)OC(=O)NCC[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1 44544832 YCOFLZGUBSZGAT-JTQLQIEISA-N 348.226 4.076 0 30 EIAC O=C(CCCCC(=O)OC[C@H]1CC=CCC1)OC[C@@H]1CC=CCC1 5191205 PJRVYFKLOAROIV-HDICACEKSA-N 334.456 4.346 0 30 EIAC Cc1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1C(=O)O 152168 ZDGOKVILTIFGJK-UHFFFAOYSA-N 348.358 4.133 0 30 EIAC C/C=C/C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 38929468 VDYXGPCGBKLRDA-XNWCZRBMSA-N 348.490 4.303 0 30 EIAC in-vitro COc1ccccc1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 135251 URWOMOAEGDFDIK-UHFFFAOYSA-N 329.827 4.368 0 30 EIAC CCOC(=O)c1c(NC(=S)Nc2cc(C)ccn2)sc(C)c1C 160369 XHXVUAAOZICEBY-UHFFFAOYSA-N 349.481 4.054 0 30 EIAC c1ccc2c(c1)Oc1ccccc1[C@H]1OC(CN3CCCCC3)O[C@H]21 33886285 LSDKLUSWTPTQEX-NHCUHLMSSA-N 337.419 4.434 0 30 EIAC CC(=O)O[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 207089946 TYVOTOKKBSVAQA-POBLZQCHSA-N 330.468 4.450 0 30 EIAC COc1ccc(Br)c(-c2nc(-c3ccc(C)cc3)no2)c1 114156 JBLIFFVZVRLZRC-UHFFFAOYSA-N 345.196 4.483 0 30 EIAC CC(C)(C)OC(=O)N1CCC([C@H](O)c2ccccc2Cl)CC1 697366870 CNPBETQGTLZFLK-HNNXBMFYSA-N 325.836 4.021 0 30 EIAC CC(C)(C)C(=O)[C@@H](Oc1ccc(-c2ccccc2)cc1)n1cncn1 33986052 UKZCPXGKCGMLBY-LJQANCHMSA-N 335.407 4.138 0 30 EIAC CSc1ccc(C(=O)NC(=O)Nc2ccc(Cl)cc2)s1 109295 MDOJVXQTAMWWRT-UHFFFAOYSA-N 326.830 4.085 0 30 EIAC COc1ccc(Br)cc1COC(=O)C=Cc1ccccc1 2265272069 SXWPEKVFIWPOKB-UHFFFAOYSA-N 347.208 4.214 0 30 EIAC O=C(NCc1ccc(-c2cccs2)s1)NC(=O)c1ccccc1 108382 HPENDVXSHOUMGC-UHFFFAOYSA-N 342.445 4.116 0 30 EIAC O=C(CCCCC(=O)OC[C@@H]1CC=CCC1)OC[C@@H]1CC=CCC1 5191211 PJRVYFKLOAROIV-QZTJIDSGSA-N 334.456 4.346 0 30 EIAC CSc1nnc(C)c(C=CNc2cc(Cl)cc(Cl)c2)n1 2265276472 GEZHVCHRMDYZLP-UHFFFAOYSA-N 327.240 4.292 0 30 EIAC CCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C 994884 CZDADQDVRNIROA-UHFFFAOYSA-N 332.450 4.009 0 30 EIAC CC(C)Oc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N 215976044 DRAARPHSFOTACG-UHFFFAOYSA-N 334.460 4.171 0 30 EIAC Cn1nc(C(F)(F)F)c(C=NO)c1SCc1ccc(Cl)cc1 254903502 HROFCKDJLKRASM-UHFFFAOYSA-N 349.765 4.193 0 30 EIAC O=C1OC(=CNOCc2ccc(Cl)c(Cl)c2)c2ccccc21 2265279397 PYXUVPZBGVVWLL-UHFFFAOYSA-N 336.174 4.184 0 30 EIAC O=c1oc(-c2cccnc2Oc2ccccc2)nc2cccc(F)c12 166926 NCNGDJSBCZWSFY-UHFFFAOYSA-N 334.306 4.181 0 30 EIAC COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12 224917293 OTBGVMKTPYQBDI-UHFFFAOYSA-N 342.786 4.353 0 30 EIAC Nc1ccc(Oc2ccc(C3CCCCC3)cc2)cc1S(=O)(=O)O 5161846 MRGHMZUKQOHAFR-UHFFFAOYSA-N 347.436 4.356 0 30 EIAC O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 67173467 KOIXLNLJQOSNOZ-SJORKVTESA-N 349.352 4.006 0 30 EIAC O=COc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 197381191 NPTJCHCMEQXFNC-UHFFFAOYSA-N 334.371 4.380 0 30 EIAC c1ccc(-c2cc(CCN3CCOCC3)c(-c3ccccc3)o2)cc1 33868096 WCGOKUSGGAMPGX-UHFFFAOYSA-N 333.431 4.488 0 30 EIAC C[C@@H](Oc1ccc(Cl)cc1)c1nnc(S)n1-c1ccccc1 163573 MDPQCTHZJSAQPG-LLVKDONJSA-N 331.828 4.349 0 30 EIAC CCCc1cc(=O)oc2cc(OC(=O)/C=C/c3cccs3)ccc12 90181 HZQQZBLAZHYQDH-VQHVLOKHSA-N 340.400 4.426 0 30 EIAC COc1cc2c(cc1OC)/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)N2 4709873 PMCITMSTGVFPRM-QPEQYQDCSA-N 349.308 4.215 0 30 EIAC Clc1ccc(C2=NN[C@@H](c3ccc(Cl)c(Cl)c3)N2)cc1 3179612 BNUWZKMXJKUWTI-AWEZNQCLSA-N 326.614 4.200 0 30 EIAC CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cncc(Br)c1 91352977 CDQBQQCNUOIRSK-CYBMUJFWSA-N 341.249 4.306 0 30 EIAC CON=C1C[C@@H](C)Cc2nnc(-c3ccc(Cl)cc3Cl)cc21 254311594 IDIHQEKFIQIKTB-VIFPVBQESA-N 336.222 4.383 0 30 EIAC CCOC(=O)c1ccc(Cn2cc(C=O)c3cccc(CC)c32)cc1 6285848 PQJVPCYOUMFEER-UHFFFAOYSA-N 335.403 4.241 0 30 EIAC Cc1onc(-c2ccccc2)c1CNC(=O)Nc1ccc(F)cc1F 105539 FTWYUWCJVZUUIE-UHFFFAOYSA-N 343.333 4.250 0 30 EIAC C[S@@](=O)(=NC(=O)c1c(Cl)cccc1Cl)c1ccccc1 136785684 STTRAYJPJIEIAN-FQEVSTJZSA-N 328.220 4.291 0 30 EIAC CN(C)C=C(C(=S)N(C)C)c1ccc(Oc2ccccc2)cc1 2265276471 FUKSYUDCYOLLAT-UHFFFAOYSA-N 326.465 4.270 0 30 EIAC FC(F)(F)c1ccc(NCn2nnc3cc(Cl)ccc32)cc1 103859 AVKPVWKNCXUEQC-UHFFFAOYSA-N 326.709 4.173 0 30 EIAC CC(C)(CC(=O)O)CC(=O)NCc1csc2ccc(Cl)cc12 4324908 MBHWJUCXXKRCMY-UHFFFAOYSA-N 339.844 4.062 0 30 EIAC S=C(Nc1cccc(Cl)c1)N1CCC(Cn2cccc2)CC1 42782929 TZOIJUFFHBIJGF-UHFFFAOYSA-N 333.888 4.251 0 30 EIAC CCC(=O)Oc1c2c(c3ccccc3c1OC(C)=O)OC(C)(C)CC2 607717256 MMHLODZEJNCCND-UHFFFAOYSA-N 342.391 4.184 0 30 EIAC C[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1cccc(Cl)c1 227708782 JGLOKKAEMHRESL-GFCCVEGCSA-N 326.868 4.294 0 30 EIAC O=C(O[C@@H]1C(=Cc2ccccc2F)N2CCC1CC2)c1cccs1 2265276936 XEAIMZYXBXPQHV-SFHVURJKSA-N 343.423 4.179 0 30 EIAC O=C(NCc1ccc(-c2cccs2)cc1)c1cnc2ccccc2n1 1025906 DZCADGLQAXYSNA-UHFFFAOYSA-N 345.427 4.288 0 30 EIAC Cc1cc(SCc2n[nH]c3oc(=O)cc(C)c23)c(C)cc1Cl 4693200 CECPUOYXWSVXNI-UHFFFAOYSA-N 334.828 4.387 0 30 EIAC C[S@](=O)(=NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 13466054 WAAPTFBSFWGDTF-HXUWFJFHSA-N 328.220 4.291 0 30 EIAC O=c1cc(-c2ccccc2)nc(Cc2c(Cl)cccc2Cl)[nH]1 13469337 KMUCRBFVNDPSKF-UHFFFAOYSA-N 331.202 4.335 0 30 EIAC O=C1OC2(c3ccc(O)cc3Sc3cc(O)ccc32)c2ccccc21 38343191 PTTMNOGNUQNMFO-UHFFFAOYSA-N 348.379 4.025 0 30 EIAC Cc1cccc(C)c1-n1nnnc1SCc1ccc(Cl)cc1 72628 QLNZMQJSIUUDQU-UHFFFAOYSA-N 330.844 4.225 0 30 EIAC Cc1nn(-c2ccccc2)nc1C(=O)Sc1ccc(Cl)cc1 166210 VSOZIQPGQXNJGG-UHFFFAOYSA-N 329.812 4.162 0 30 EIAC CCCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1 4882019 IHJYWMJQRIWSIB-UHFFFAOYSA-N 341.436 4.313 0 30 EIAC CC[C@@H]1c2cc(OC)c(O)cc2[C@@H](c2ccc(O)c(OC)c2)[C@H]1C 145340005 QSYFPBASFNGQSF-HGFQGUBDSA-N 328.408 4.390 0 30 EIAC COC(=O)c1sccc1NC(=O)Nc1cc(C)oc1C(F)(F)F 148068 VZZBUZOOERLERA-UHFFFAOYSA-N 348.302 4.099 0 30 EIAC CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCCCC3)ccc21 171532 XZNXECCBCNRMPG-UHFFFAOYSA-N 339.361 4.262 0 30 EIAC C[C@]12CCC3(C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12)OCCO3 245239154 FYVKKXPWOJKVKR-JXUVHZKSSA-N 334.500 4.133 0 30 EIAC Cc1c(C2=NO[C@](O)(C(F)(F)F)C2)sc2ccc(Cl)cc12 114843 GNKVBQLWIZMPHX-LBPRGKRZSA-N 335.734 4.238 0 30 EIAC COc1cc2c(cc1OC)[C@@H](C)N(Cc1cc(C)c(O)c(C)c1)CC2 166615 GHYUFGSFFKSVCT-OAHLLOKOSA-N 341.451 4.146 0 30 EIAC Cc1noc(C)c1-c1nc(CSCc2ccc(Cl)cc2)no1 3126851 ILTKNRGNABDJGT-UHFFFAOYSA-N 335.816 4.428 0 30 EIAC CC(C)Oc1cc(C(F)(F)F)nc2ccc(CSCCO)cc12 2157091 BLGBNKRFXWGTKQ-UHFFFAOYSA-N 345.386 4.266 0 30 EIAC Cc1ccc(F)cc1NC(=O)CSc1ccc(C(F)(F)F)cn1 3158501 OFMPECAWJVKKFV-UHFFFAOYSA-N 344.333 4.279 0 30 EIAC O=C(O)C[C@@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1 69521 JIQUCSVRHVPBKE-QGZVFWFLSA-N 337.419 4.153 0 30 EIAC O=C(NCCSCc1ccc(F)cc1)c1c(F)cccc1Cl 4390653 IACYOATUSLAABR-UHFFFAOYSA-N 341.810 4.281 0 30 EIAC COc1ccc([C@@H]2C[C@H]2C(C)=NOC(=O)c2ccc(F)cc2)cc1 4013405 JSTWPIVFSOQCCS-ROUUACIJSA-N 327.355 4.171 0 30 EIAC C=C(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1c(Cl)cccc1Cl 604934917 UTLMXGAHEHUXJU-CLLJXQQHSA-N 340.250 4.175 0 30 EIAC Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1 21067 HKFMQJUJWSFOLY-OAQYLSRUSA-N 348.421 4.371 0 30 EIAC world Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)C(C)(C)C 118070 UWHAKEWENARSPP-UHFFFAOYSA-N 343.324 4.230 0 30 EIAC CCC(O)(CC)CCCO[C@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 1857792955 JSZSHEQERKAGCY-ZSXDVEMLSA-N 326.521 4.300 0 30 EIAC C=C(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C(C)(C)C)cc1 604934892 MZDVJXQDGOTLHR-REPLKXPHSA-N 327.468 4.166 0 30 EIAC O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 2157633 OZDJFELGKCBAJR-UHFFFAOYSA-N 337.611 4.415 0 30 EIAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351369 GDSSWKSLDBUUPM-XRIPXXCGSA-N 331.500 4.103 0 30 EIAC O=C(N[C@H]1CCCc2ccccc21)C1=Cc2cc(Cl)ccc2OC1 152256 GPFMCKVYKVDOBZ-SFHVURJKSA-N 339.822 4.310 0 30 EIAC COc1ccc(Br)c(-c2nc(-c3ccccc3)no2)c1 114212 SBPZNNRTEQZRFY-UHFFFAOYSA-N 331.169 4.175 0 30 EIAC CCOc1ccc(Cl)cc1[C@H](CN1CCN(C)CC1)[C@@H](C)CC 22042335 PTFMLNBMLFZOGC-MAUKXSAKSA-N 338.923 4.116 0 30 EIAC COc1ccccc1C(=O)c1cc(OC)c2c(C)c(C)oc2c1OC 2005978 OQRVWBDKIKNKDG-UHFFFAOYSA-N 340.375 4.306 0 30 EIAC Cc1cc(C)cc(NC(=O)Nc2ccccc2C(=O)NCC2CC2)c1 151289 UOEGYNUKMWZIBJ-UHFFFAOYSA-N 337.423 4.087 0 30 EIAC COC(=O)c1scc2c(N3CCCCC3)cc(C(F)(F)F)nc12 169708 ZODJWYOWVDXMHY-UHFFFAOYSA-N 344.358 4.092 0 30 EIAC Cc1ccc(C(=O)OCCSc2ccc(C(F)(F)F)cn2)cc1 2144340 URDOTAHPWWITLZ-UHFFFAOYSA-N 341.354 4.358 0 30 EIAC O=C(CC=NOCc1ccc(Cl)cc1Cl)Oc1ccccc1 4089981 LHRSXURPPCKUID-UHFFFAOYSA-N 338.190 4.492 0 30 EIAC CC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351367 GDSSWKSLDBUUPM-QTAXEDJGSA-N 331.500 4.103 0 30 EIAC CSc1nn(-c2ccccc2)cc1-c1noc(-c2cccs2)n1 169648 FAUCWSRMFRUCEB-UHFFFAOYSA-N 340.433 4.373 0 30 EIAC COc1cccc(C(=O)ON=C(C)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 4091575 FWHQLNQEJVBFLP-ZWKOTPCHSA-N 327.355 4.171 0 30 EIAC FC(F)(F)c1nc2ccccc2n2c(C=Cc3ccccc3)nnc12 2265279165 WVMCQDGCEIFSAW-UHFFFAOYSA-N 340.308 4.467 0 30 EIAC COc1ccc2c(c1C(C)C)CC[C@@H]1C(C)(C)C(=O)CC(=O)[C@@]21C 137394841 PXTHHLLUTFCXQI-IERDGZPVSA-N 328.452 4.207 0 30 EIAC Cc1c(C(=O)Sc2ccccc2)sc2nc(C(F)(F)F)nn12 124287 HJIGFPCTZFVQJD-UHFFFAOYSA-N 343.355 4.051 0 30 EIAC c1ccc(COCc2nc3cnccc3n2Cc2ccccc2)cc1 953126743 DDRQXKAIPPWAOV-UHFFFAOYSA-N 329.403 4.196 0 30 EIAC Cc1cc(S(=O)(=O)Cc2cccc(F)c2)c(Cl)cc1Cl 91623 QSDLBBICUQEPCZ-UHFFFAOYSA-N 333.211 4.415 0 30 EIAC C[S@](=O)(=NC(=O)c1c(Cl)cccc1Cl)c1ccccc1 32192607 STTRAYJPJIEIAN-HXUWFJFHSA-N 328.220 4.291 0 30 EIAC O=C(O)CC1(CC(=O)Oc2ccccc2N2CCCCC2)CCCC1 152266 YJLACAQVHUXBIW-UHFFFAOYSA-N 345.439 4.008 0 30 EIAC O=C(C1=NNC[C@@H]1c1ccc(Cl)cc1)c1ccc2ccccc2c1 4343153 IFQPBZJRIGEGLS-GOSISDBHSA-N 334.806 4.419 0 30 EIAC CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C 2265351405 HQUYSOXTMKZRPF-DHQKKLPSSA-N 334.500 4.466 0 30 EIAC CC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 2265378659 FJCZUQAUQMQCJO-OAHLLOKOSA-N 338.632 4.328 0 30 EIAC CN1CCCC[C@@H]1CCC1(O)c2ccccc2CCc2ccccc21 1996888 CSTOWSPJSWAWAI-HXUWFJFHSA-N 335.491 4.286 0 30 EIAC COc1cccc(C(=O)ON=C(C)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 4091579 FWHQLNQEJVBFLP-ROUUACIJSA-N 327.355 4.171 0 30 EIAC COc1cccc(Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1 158332 UZOZRXFRYUXIHJ-UHFFFAOYSA-N 347.374 4.299 0 30 EIAC Cc1ccc(C(=O)NCc2csc(-c3cccs3)n2)cc1C 131596 AAOGTMYJXNIHBR-UHFFFAOYSA-N 328.462 4.418 0 30 EIAC COc1cc2c(cc1OC)/C(=C/c1cccc(C(F)(F)F)c1)C(=O)N2 4709915 WSOCCZRYAGTNNW-QPEQYQDCSA-N 349.308 4.215 0 30 EIAC Cc1ccc(S(=O)(=O)NCc2c(C)c(C)c(C)c(C)c2C)cc1 144491 JFUAUUVPSHWJLV-UHFFFAOYSA-N 331.481 4.016 0 30 EIAC O=C(c1ccccc1)[C@H]1ON=C(c2ccccc2)[C@H]1c1ccccc1 32131857 FCGCZYILUOHFKY-KNQAVFIVSA-N 327.383 4.456 0 30 EIAC Cc1ccc(C(=O)Oc2c(C)c(C)c3nc(N)sc3c2C)cc1 96346709 AFNOMTBHTOHAAB-UHFFFAOYSA-N 326.421 4.331 0 30 EIAC C[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1cccc(Cl)c1 227708790 JGLOKKAEMHRESL-LBPRGKRZSA-N 326.868 4.294 0 30 EIAC Cc1cc(C)c2cc(C(=O)NCCSCc3ccco3)[nH]c2c1 4333791 JCIIUJNXSXVHMD-UHFFFAOYSA-N 328.437 4.041 0 30 EIAC O=C(c1ccccc1)c1ccc(OCCOc2ccccc2)cc1O 5849527 KRAXDLMUOHFJBZ-UHFFFAOYSA-N 334.371 4.081 0 30 EIAC COc1cc2c(c(OC)c1)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/2 32251939 MYILAUURZUNHGP-VZUFXWRPSA-N 346.423 4.186 0 30 EIAC CCOC(=O)N1CCC(=O)N(c2ccccc2)c2cc(Cl)ccc21 965 NXJWVCHVPUCWJS-UHFFFAOYSA-N 344.798 4.371 0 30 EIAC in-man Cc1nc(-c2nnc(-c3ccc(Cl)cc3)o2)c(C(F)(F)F)o1 77605 MZQRNBSRFDYNHA-UHFFFAOYSA-N 329.665 4.372 0 30 EIAC c1ccc(COC(CNC2CCCCC2)CNC2CCCCC2)cc1 173907 ISWJVSNRWZLBOB-UHFFFAOYSA-N 344.543 4.416 0 30 EIAC CN1C(=O)c2cccc3cccc(c23)[S@]12OC(=O)c1ccccc12 100247133 HESPMHBHPIHGQB-UHFFFAOYSA-N 335.384 4.148 0 30 EIAC COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1[N+](=O)[O-] 139109995 HNDARFKXOHCUQI-UHFFFAOYSA-N 348.721 4.083 0 30 EIAC COc1ccccc1CC(=O)NCc1ccc(-c2cccs2)cc1 1034880 SHRYMMFRIVDPKD-UHFFFAOYSA-N 337.444 4.283 0 30 EIAC Cc1sc2nc(-c3cc[nH]c3)[nH]c(=O)c2c1-c1ccc(F)cc1 102094701 LAMPVIKYNKPGPB-UHFFFAOYSA-N 325.368 4.094 0 30 EIAC CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1565504594 JSCHDMDXTYLNBN-NNZMDNLPSA-N 330.472 4.097 0 30 EIAC CCCCCOc1cccc(NC(=O)OC2CCN(CC)CC2)c1 1846927 MOPIDRSTYLBVHE-UHFFFAOYSA-N 334.460 4.288 0 30 EIAC C[C@@H](COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)CN(C)C 2034469 HYLZXXAYLLCCPW-OAHLLOKOSA-N 337.419 4.037 0 30 EIAC C[C@@H](NC(=O)c1cccc2nsnc12)C12CC3CC(CC(C3)C1)C2 12340949 PVFBLZHEAZHYAC-UZNLNLPZSA-N 341.480 4.026 0 30 EIAC O=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1 164428 HABAAYNEGSCYIM-UHFFFAOYSA-N 341.366 4.210 0 30 EIAC CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)C(C)(C)C)c(Cl)n1 71791841 HOAKRSDLZPKNAQ-UHFFFAOYSA-N 341.839 4.091 0 30 EIAC Cc1coc(-c2ccc3c(c2C(=O)O)CCCC3(C)C)c1C(=O)O 107435593 IYSSNUVCMJOHSU-UHFFFAOYSA-N 328.364 4.265 0 30 EIAC Cc1nccnc1-c1ccnn1C(=O)Nc1cc(Cl)cc(Cl)c1 111388 HVPHGFUCYUEUTB-UHFFFAOYSA-N 348.193 4.036 0 30 EIAC CC(C)(C)OC(=O)N1CCCc2sc(Br)cc2C1 1554770395 NICKSXKGRYQRJX-UHFFFAOYSA-N 332.263 4.194 0 30 EIAC CCOC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1 120726 UWIMFEGSDSZXIB-UHFFFAOYSA-N 332.208 4.206 0 30 EIAC C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 156597 YHTRDRBJKVWUMA-AWEZNQCLSA-N 336.435 4.362 0 30 EIAC CC(C)CC(=O)O[C@@H](CNC(C)C)COc1cccc2ccccc12 4214247 IUVDIYAENLTYPB-SFHVURJKSA-N 343.467 4.175 0 30 EIAC O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)n1 126940 PFRCUFUFWAGLJS-UHFFFAOYSA-N 334.219 4.372 0 30 EIAC O=C(Nc1ccc(C(F)(F)F)cc1)c1cnccc1C(F)(F)F 77797 PKHSGPFOUCIYMW-UHFFFAOYSA-N 334.219 4.372 0 30 EIAC CC(C)NC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 106705 FMXUBGIGKNNOFH-INIZCTEOSA-N 334.872 4.467 0 30 EIAC COc1cc2c(Cl)c([N+](=O)[O-])cnc2cc1-c1c(C)noc1C 117480202 MMIFSFKVRZRDAS-UHFFFAOYSA-N 333.731 4.077 0 30 EIAC CCC[C@@]1(c2cccc(O)c2)CCN(CCc2ccc(O)cc2)C1 5844088 LRMYMYHAGWQOEO-OAQYLSRUSA-N 325.452 4.084 0 30 EIAC biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@H]2O 247638762 FYVKKXPWOJKVKR-YQXKYMSPSA-N 334.500 4.133 0 30 EIAC COc1ccc2c(c1C(C)C)CC[C@H]1C(C)(C)C(=O)CC(=O)[C@@]21C 137394785 PXTHHLLUTFCXQI-KKSFZXQISA-N 328.452 4.207 0 30 EIAC CC(C)(C)c1ccc(C(=O)Nc2nc3ccsc3c(=O)s2)cc1 119539 OYBVABRNJPFPKA-UHFFFAOYSA-N 344.461 4.268 0 30 EIAC Cc1ccc(C(=O)Oc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 96327333 PASWLQDNDCYOOU-UHFFFAOYSA-N 326.135 4.429 0 30 EIAC Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1 30690895 WCTGYFWVYBPRGF-UHFFFAOYSA-N 339.870 4.229 0 30 EIAC in-man Nc1ccc(Cc2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1 22007533 YCOYQHAYYNGUCC-UHFFFAOYSA-N 334.263 4.479 0 30 EIAC CCCCCCSc1ccc(S(=O)(=O)O)c2ncccc12 39140290 LSUXYRPNJXCMJS-UHFFFAOYSA-N 325.455 4.154 0 30 EIAC CC(C)(C)OC(=O)N1CCC(c2ncc(Br)s2)CC1 114967424 FJQABAIILWOQDF-UHFFFAOYSA-N 347.278 4.020 0 30 EIAC CC(C)(C)c1nc(Cl)c2cc(I)ccc2n1 146998727 KRKILLHMSNUGRU-UHFFFAOYSA-N 346.599 4.185 0 30 EIAC O=C(NC1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1 135971 PDXMAQLWOBMEOX-UHFFFAOYSA-N 344.458 4.234 0 30 EIAC Clc1ccc2[nH]c(-c3ccccc3)c(SCc3nnn[nH]3)c2c1 95935697 WKLGKRIMCJVEQR-UHFFFAOYSA-N 341.827 4.294 0 30 EIAC c1ccc2c(c1)Oc1ccccc1[C@H]1O[C@H](CN3CCCCC3)O[C@@H]21 256307845 LSDKLUSWTPTQEX-WKCHPHFGSA-N 337.419 4.434 0 30 EIAC C[C@@H]1CN(CC[C@@H](O)C2CCCCC2)CC[C@]1(C)c1cccc(O)c1 13833051 LVVHEFJXPXAUDD-YHYVQYDKSA-N 345.527 4.323 0 30 EIAC COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(Cl)n2)cc1 32286112 DKOMXBVVTZTZDB-UHFFFAOYSA-N 326.783 4.481 0 30 EIAC CCCC(NC(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 2016717 MFIGUJSUGHQLRL-UHFFFAOYSA-N 340.467 4.018 0 30 EIAC C[C@H](NC(=O)OCc1ccccc1)c1cccc(Br)c1 142292422 WUKNNBIUNQMMQF-LBPRGKRZSA-N 334.213 4.437 0 30 EIAC O=C(COC(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 166404 NQJPFBYAIKFAHQ-UHFFFAOYSA-N 327.138 4.172 0 30 EIAC CCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 5550743 YRFLKMLJQWGIIZ-RYPMMJDZSA-N 338.488 4.072 0 30 EIAC COc1ccccc1C1CCN(Cc2cn[nH]c2-c2ccccc2)CC1 3848322 SCBLVDQUJQLKRJ-UHFFFAOYSA-N 347.462 4.465 0 30 EIAC CC[N+](C)(CC)CCOC(=O)[C@H](c1ccccc1)C1CCCCC1 31623096 XSGBQYOBOAAWCG-HXUWFJFHSA-N 332.508 4.380 0 30 EIAC O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)CC1 66413 WFUDCKRXGABLPG-UHFFFAOYSA-N 343.858 4.080 0 30 EIAC CCc1c(-c2ccccc2)oc2c(CN(C)C)c(OC)ccc2c1=O 2007871 HLICTKPAIIKLGJ-UHFFFAOYSA-N 337.419 4.093 0 30 EIAC O=C1c2cc3ccccc3cc2CC1(Br)Br 223755311 IHLGLVSDOIYDOZ-UHFFFAOYSA-N 340.014 4.065 0 30 EIAC O=C(Nc1ccc(Cl)c(Cl)c1Cl)N[C@H]1CCSC1 141726 AQWMUPZQKREVMJ-LURJTMIESA-N 325.648 4.274 0 30 EIAC CSc1nc(Oc2ccc(Cl)cc2)cc(-n2nc(C)cc2C)n1 1018140 LTIUCTVZWDROCZ-UHFFFAOYSA-N 346.843 4.447 0 30 EIAC COc1ccccc1N(C)c1c2c(nc3ccccc13)CCC[C@H]2O 96336682 KLKCJAGYYIVSAA-GOSISDBHSA-N 334.419 4.381 0 30 EIAC CC(C)(C)C(=O)OCc1nc(-c2ccc3c(c2)OCCCO3)cs1 114039 VLZFVWKRZDNMGB-UHFFFAOYSA-N 347.436 4.061 0 30 EIAC Cc1nc(-c2ccccn2)nc(N2CCc3ccccc3C2)c1Cl 35606146 KOZMATJQHBEBIR-UHFFFAOYSA-N 336.826 4.063 0 30 EIAC CC(C)(C)OC(=O)N1CCC2(CCCN2Cc2ccccc2)CC1 1203306596 YAYKSEJIOGPEJL-UHFFFAOYSA-N 330.472 4.052 0 30 EIAC Cc1cccc(C)c1N(CCCN(C)C)C(=O)CCc1ccccc1 2018053 WKTOWIPEMBNMSJ-UHFFFAOYSA-N 338.495 4.221 0 30 EIAC C[C@@H]1C(=O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 4804282 CYXUDTBTOJCCSJ-MROBFSLYSA-N 346.511 4.178 0 30 EIAC CCCCc1ccc(NC(=O)C(=S)NCc2ccccc2)c(C)c1 3078909 GGESSQPEBKQERG-UHFFFAOYSA-N 340.492 4.393 0 30 EIAC CC(C)(C)OC(=O)N1CCC(c2csc(Br)n2)CC1 725378616 FJHVNEZFABTJLT-UHFFFAOYSA-N 347.278 4.020 0 30 EIAC Cn1nc(-c2ccc(-c3cc[nH]c(=S)n3)s2)cc1C(F)(F)F 149916 AOSKQDUUZTVJCO-UHFFFAOYSA-N 342.371 4.287 0 30 EIAC O=C1CC(c2ccccc2)CC(=O)N1Cc1csc2ccccc12 4371521 FHRDPUNUXBYBKY-UHFFFAOYSA-N 335.428 4.334 0 30 EIAC NC(=O)[C@@H](Nc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 6524972 JQWGMBWZTWUTFY-ZDUSSCGKSA-N 329.614 4.285 0 30 EIAC CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NCCO 38605699 JYDIHAYTECQGQK-UZRURVBFSA-N 341.536 4.103 0 30 EIAC O=C1OC(=CNOCc2ccc(Cl)cc2Cl)c2ccccc21 2265279376 KRQKVDIMUAACBY-UHFFFAOYSA-N 336.174 4.184 0 30 EIAC Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c(C)c1C 139567 PLCAZDDBOKYRML-UHFFFAOYSA-N 339.407 4.308 0 30 EIAC O=c1[nH]c(-c2cc(Br)cs2)nc2ccc(Cl)cc12 5177894 UWYONVIQOHFPEK-UHFFFAOYSA-N 341.617 4.068 0 30 EIAC CC(=O)N(c1ccccc1)C1CCN(CCc2cccc(C)c2)CC1 32256052 RROIUIGBEXMCGR-UHFFFAOYSA-N 336.479 4.055 0 30 EIAC O=C(c1ccccc1)N1c2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 144434 KMNVWVAWWQHZRU-OAQYLSRUSA-N 345.354 4.153 0 30 EIAC Cc1ccc(C(=O)ON=Cc2c(Cl)n(C)c3ccccc23)cc1 254763661 PWUPKAJWEMAISK-UHFFFAOYSA-N 326.783 4.331 0 30 EIAC CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 303852633 DWWZSWVQGKGFGH-ZDUSSCGKSA-N 345.270 4.092 0 30 EIAC CC(C)(C)OC(=O)N1CCC[C@H](Oc2cccc(C(F)(F)F)c2)C1 39953967 RUIJEEAQKYFWIF-AWEZNQCLSA-N 345.361 4.484 0 30 EIAC O=C(Oc1ccccc1C(=O)OCc1ccccc1)c1ccccc1 117702915 SOZZBWCNFQGRPM-UHFFFAOYSA-N 332.355 4.263 0 30 EIAC O=C(Nc1ccc(Cl)c(Cl)c1Cl)N[C@@H]1CCSC1 141728 AQWMUPZQKREVMJ-ZCFIWIBFSA-N 325.648 4.274 0 30 EIAC CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCc3sccc32)cc1 422798186 QBQYUBQEAVXMDJ-MSOLQXFVSA-N 342.508 4.108 0 30 EIAC Cc1cccc(C)c1-n1nnnc1SCc1ccccc1Cl 72620 HHWSJQNVQYQYCE-UHFFFAOYSA-N 330.844 4.225 0 30 EIAC CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc21 1041028 IHHASYPFWOYDON-UHFFFAOYSA-N 327.427 4.386 0 30 EIAC CCOc1ccc(Cl)cc1[C@@H](CN1CCN(C)CC1)[C@H](C)CC 22042338 PTFMLNBMLFZOGC-QAPCUYQASA-N 338.923 4.116 0 30 EIAC COc1ccccc1C1CCN(C(=S)Nc2ccccc2)CC1 83286 DKSZRVZKPYJJLO-UHFFFAOYSA-N 326.465 4.272 0 30 EIAC O[C@H](CNCc1ccc(Cl)c(Cl)c1)Cn1ccc2ccccc21 4307255 VNALUZQJUWTCND-OAHLLOKOSA-N 349.261 4.099 0 30 EIAC CCOc1ccc(Cl)cc1[C@H](CN1CCN(C)CC1)[C@H](C)CC 22042331 PTFMLNBMLFZOGC-CRAIPNDOSA-N 338.923 4.116 0 30 EIAC COc1ccc([C@H](NC(=O)c2cc3ccccc3n2C)C(C)C)cc1 1124503639 SMDCHWBSGKNFDI-HXUWFJFHSA-N 336.435 4.314 0 30 EIAC CSc1sc(-c2ccn(C(C)=O)n2)c2c1C(=O)CC(C)(C)C2 125544 JQUJTHQSFVWZEH-UHFFFAOYSA-N 334.466 4.149 0 30 EIAC Cc1ccc(NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)cc1 113649 QYILGAZPLPSOJH-UHFFFAOYSA-N 336.416 4.306 0 30 EIAC C[C@@H]1C[C@H](NC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@H]23)CC(C)(C)C1 252427764 DZRCPDNBURVKIV-YSJMIEIKSA-N 332.557 4.266 0 30 EIAC CCCS(=O)(=O)c1cc(N)cc2[nH]c(-c3ccc(Cl)cc3)cc12 32628384 DJEZTHNATUTWJI-UHFFFAOYSA-N 348.855 4.254 0 30 EIAC in-vitro Cc1ccc(Oc2ccccc2C=C2SC(=O)N(C)C2=O)cc1 2265279109 CKTKVWULWOADMZ-UHFFFAOYSA-N 325.389 4.453 0 30 EIAC CCOc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C 2007917 RWLUDODBGCXPOW-UHFFFAOYSA-N 337.419 4.229 0 30 EIAC CCC[C@@H]1c2ccsc2CCN1C(=O)c1cc(OC)cc(OC)c1 106836 WVZWGDHXUJAZJC-QGZVFWFLSA-N 345.464 4.305 0 30 EIAC CCCCC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)O 27642929 VNYSSYRCGWBHLG-RYYHSVJXSA-N 336.472 4.158 0 30 EIAC in-vitro Clc1ccc([C@]2(c3ccccc3)OC[C@H]([C@@H]3CCCCN3)O2)cc1 2037008 QSUPYZROBSIPRZ-XUVXKRRUSA-N 343.854 4.099 0 30 EIAC CCc1ccccc1CSc1nnc(O)n1[C@H](C)c1ccccc1 156396 LIPNXXPHXMOLAK-CQSZACIVSA-N 339.464 4.448 0 30 EIAC O=C(/N=c1\sc2c(n1-c1ccccc1)CCCC2)c1ccccc1 574119 DQKOXJNXZPTUEE-MRCUWXFGSA-N 334.444 4.159 0 30 EIAC CC(=O)N[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351368 GDSSWKSLDBUUPM-ULQQXZRCSA-N 331.500 4.103 0 30 EIAC COc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 157939 BNGSYLQFZPCEHU-UHFFFAOYSA-N 349.390 4.313 0 30 EIAC COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)cc1 88680 PYYPCJBOQYQSKW-GOSISDBHSA-N 328.799 4.046 0 30 EIAC Nc1nnc(Sc2nc3c(Cl)cc(Cl)cc3s2)s1 91377 PKYLEGSRZHHYDA-UHFFFAOYSA-N 335.266 4.188 0 30 EIAC CCc1ccccc1CSc1nnc(O)n1[C@@H](C)c1ccccc1 156393 LIPNXXPHXMOLAK-AWEZNQCLSA-N 339.464 4.448 0 30 EIAC Cc1ccc(NC(=O)C[C@@H](CC(=O)O)c2ccccc2)cc1Cl 69506 HGAMMGVTTJXLNF-AWEZNQCLSA-N 331.799 4.236 0 30 EIAC CCCCC/C=C\C[C@@H]1O[C@H]1[C@@H](O)/C=C\C/C=C\CCCC(=O)O 8860445 DWNBPRRXEVJMPO-URIVTBKTSA-N 336.472 4.399 0 30 EIAC in-vitro CC(C)Sc1ncc(Br)cc1C(=O)OC(C)(C)C 725327990 CBBZFTFTQMJOBA-UHFFFAOYSA-N 332.263 4.300 0 30 EIAC COc1ccc([C@H]2c3ccsc3CCN2C(=O)C(C)(C)C)cc1 107385 ISZOAHZSPMSAAY-KRWDZBQOSA-N 329.465 4.277 0 30 EIAC Cc1cccc(NN=C2C=NN=C2c2ccc(Br)cc2)c1 254479439 WQGWQTOLYUFLJO-UHFFFAOYSA-N 341.212 4.014 0 30 EIAC CC(C)(C)OC(=O)N1CCC([C@@H](O)c2cccc(Cl)c2)CC1 697364334 HZDQDYKIBYEVOS-OAHLLOKOSA-N 325.836 4.021 0 30 EIAC Fc1cccc(Cl)c1CSc1nnc(-n2cccc2)s1 139284 IICJZPVFMBKGJV-UHFFFAOYSA-N 325.821 4.414 0 30 EIAC CCCCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 33369571 GMSWATKNAXIMOC-UHFFFAOYSA-N 333.391 4.163 0 30 EIAC O=C(C(C=NO)=NNc1ccccc1)c1ccc(Cl)cc1Cl 254905488 XKJIJDOGNXFXLF-UHFFFAOYSA-N 336.178 4.104 0 30 EIAC COc1ccccc1N(C)c1c2c(nc3ccccc13)CCC[C@@H]2O 96336683 KLKCJAGYYIVSAA-SFHVURJKSA-N 334.419 4.381 0 30 EIAC O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1ccc2ccccc2c1 14979791 LUTFVXBIRTVZJZ-UHFFFAOYSA-N 346.386 4.358 0 30 EIAC O=C(O)[C@@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl 137073 DDXHUKKFOWCFKU-RHSMWYFYSA-N 335.831 4.037 0 30 EIAC C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2N 2265351290 BRIXFWOBRNRTOA-RABCQHRBSA-N 331.500 4.020 0 30 EIAC C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl 67092 UPOGVOIRLOVHKQ-SNVBAGLBSA-N 349.217 4.371 0 30 EIAC C=CCON=C(C)C1=C(O)CC(C)(C)[C@@H](c2cccc(C)c2)C1=O 254698730 XXUZWFBTZDZSSH-SFHVURJKSA-N 327.424 4.468 0 30 EIAC COC(=O)c1sccc1OC(=O)c1ccc(Cl)cc1Cl 82371 BAQLTZBUIGDTBS-UHFFFAOYSA-N 331.176 4.061 0 30 EIAC CCCCCCN1CCC(C(=O)N(C)CC)(c2ccccc2)CC1 3797855 TYWUGCGYWNSRPS-UHFFFAOYSA-N 330.516 4.079 0 30 EIAC in-man COc1c(C)c(Br)c2c(c1N(C)C)-c1ccccc1C2=O 604934873 GGKSWNQZMJRIHQ-UHFFFAOYSA-N 346.224 4.044 0 30 EIAC Fc1ccc(Oc2ncc(Br)cn2)cc1C(F)(F)F 226460863 RNTFOEXRKAPSHW-UHFFFAOYSA-N 337.070 4.189 0 30 EIAC COc1cc2c(cc1OC)-c1ccc3cc4c(cc3c1N(C)C2)OCO4 1557254 MTVOSXTZNVKGIF-UHFFFAOYSA-N 349.386 4.203 0 30 EIAC biogenic,in-vitro O=C(Oc1cc2ccccc2cc1C(=O)O)c1cccc(Cl)c1 164901 ADUPKHUJDTXYHE-UHFFFAOYSA-N 326.735 4.411 0 30 EIAC CC(=O)Nc1ccc(C=C2C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 2265276344 YBOPPFZBKYAFKJ-UHFFFAOYSA-N 346.308 4.157 0 30 EIAC c1ccc2c(c1)Oc1ccccc1[C@@H]1OC(CN3CCCCC3)O[C@@H]21 33886287 LSDKLUSWTPTQEX-SFTDATJTSA-N 337.419 4.434 0 30 EIAC O=C(NCCSCc1ccco1)Nc1cccc2ccccc12 4364730 JRFHULIMDDJREY-UHFFFAOYSA-N 326.421 4.488 0 30 EIAC Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCc2ccccc21 152251 XATJJZWRZHLCRP-OAHLLOKOSA-N 334.341 4.216 0 30 EIAC O=C(c1cccs1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 43985817 OYQUETXCQXMWSO-ACJLOTCBSA-N 337.400 4.039 0 30 EIAC Cc1ccc2cc(NC(=O)C[C@H](CC(=O)O)c3ccccc3)ccc2n1 152799 WGTQIQRGBMTRIH-QGZVFWFLSA-N 348.402 4.130 0 30 EIAC Cc1ccc(OCCOCCN(C)C)c(CC(C)C)c1CC(C)C 98090799 QYRBBUBWLUSSGL-UHFFFAOYSA-N 335.532 4.349 0 30 EIAC CC(=O)Nc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 124214 KHGHYAKHXHCKRE-UHFFFAOYSA-N 344.720 4.291 0 30 EIAC CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H]2CC(=O)C(Cc3ccco3)=C2C)C1(C)C 31771106 BEYOLLQLGMGJDC-BHIYHBOVSA-N 342.435 4.262 0 30 EIAC c1ccc2cc(-c3csc4ncnc(N5CCOCC5)c34)ccc2c1 66631 CEAWLRWJYMIHNW-UHFFFAOYSA-N 347.443 4.348 0 30 EIAC O=C(Nc1ccc(F)c(Cl)c1)c1nsc(Cl)c1Cl 128480 KWCSXECXEHSBQV-UHFFFAOYSA-N 325.579 4.495 0 30 EIAC Cc1ccc(NC(=O)C[C@H](CC(=O)O)c2ccccc2)cc1Cl 69509 HGAMMGVTTJXLNF-CQSZACIVSA-N 331.799 4.236 0 30 EIAC O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc2nsnc12 12340965 BJKBDIDJRRSHHG-UHFFFAOYSA-N 348.387 4.131 0 30 EIAC CCOC(=O)N(C)CCCN1c2ccccc2CCc2ccccc21 38611991 LHIUCHNQBHLYMH-UHFFFAOYSA-N 338.451 4.402 0 30 EIAC in-vitro C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 156599 YHTRDRBJKVWUMA-CQSZACIVSA-N 336.435 4.362 0 30 EIAC S=C(Nc1ccc(Br)c(Cl)c1)N1CCCCC1 72531 LLLFEWKSEYGWFN-UHFFFAOYSA-N 333.682 4.285 0 30 EIAC CSc1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 75092 KOQNLKBETRXGBU-UHFFFAOYSA-N 343.477 4.470 0 30 EIAC COC(=O)c1scc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 82655 VWMCVOUQCXOBFE-UHFFFAOYSA-N 343.326 4.114 0 30 EIAC COc1ccc(N(Cc2ccccn2)C(=O)c2ccc(F)cc2)cc1 157678 VSNMORJBZJRQLY-UHFFFAOYSA-N 336.366 4.076 0 30 EIAC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC21OCCO1 25541680 SXXRMGBMPQWUTB-ROMHJBHXSA-N 332.484 4.053 0 30 EIAC CCC[C@@]1(c2cccc(O)c2)CCN(CCc2cccc(O)c2)C1 3628882 GPPYXKZKCAETJA-OAQYLSRUSA-N 325.452 4.084 0 30 EIAC O=c1c(Cc2ccccc2)c(O)c2cccc3c4c(n1c23)CCCC4 100296240 ZYDLDXGCTFGYOD-UHFFFAOYSA-N 329.399 4.066 0 30 EIAC CCOC(=O)c1cc(C)n(-c2c(Cl)cc(Cl)cc2Cl)n1 115213 KODJPOIMLOBSFX-UHFFFAOYSA-N 333.602 4.318 0 30 EIAC O=S(=O)(c1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1 36047531 VOPZMTMMHGSZLA-UHFFFAOYSA-N 344.244 4.436 0 30 EIAC CSc1c2c(nc3cc(-c4cccs4)nn13)CC(C)(C)CC2=O 125205 OOJCKJNCHHYZEY-UHFFFAOYSA-N 343.477 4.335 0 30 EIAC O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2O)cc1 154922 VRQQYVNGUFWYIF-UHFFFAOYSA-N 347.374 4.289 0 30 EIAC COCc1cc(OC)c2c(OCc3ccccc3)ccc(C=O)c2c1 90555978 YUNUEGGUDNXTGS-UHFFFAOYSA-N 336.387 4.386 0 30 EIAC CN(Cc1ccccc1Cl)C(=O)c1cnccc1C(F)(F)F 77405 WKRFWYUCMMTUQG-UHFFFAOYSA-N 328.721 4.026 0 30 EIAC Cc1cc(C(=O)O)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1 14985262 JIXSTJWSROAWCM-UHFFFAOYSA-N 339.100 4.205 0 30 EIAC Clc1cccc(Cl)c1CON=Cc1ccc(-n2cccn2)nc1 254877184 XBWRLNVWYJUQTN-UHFFFAOYSA-N 347.205 4.125 0 30 EIAC COc1ccc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 118993 YQCHJMDEDPTCDN-UHFFFAOYSA-N 348.446 4.271 0 30 EIAC CCCCC[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C\CCCC(=O)O 8860451 NNPWRKSGORGTIM-ISEFYURISA-N 336.472 4.158 0 30 EIAC O=C(c1cccnc1Oc1ccccc1)n1ccc(-c2cccs2)n1 4334527 VUAQHEOKNMMGFZ-UHFFFAOYSA-N 347.399 4.487 0 30 EIAC COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n(-c2ccccc2)c1C 5930336 NOIRBDMFBKMFQC-UHFFFAOYSA-N 349.386 4.026 0 30 EIAC c1ccc(-c2ccc([C@H](c3ccccc3)N3CCNCC3)cc2)cc1 22124064 VADQOFSJMVECSB-QHCPKHFHSA-N 328.459 4.348 0 30 EIAC CN(Cc1ccccc1)C1=C([Si](C)(C)C)[C@@H]([Si](C)(C)C)C(=O)O1 195951221 DMWSTWUJINMXFP-MRXNPFEDSA-N 347.607 4.473 0 30 EIAC Cc1cc(N=Cc2ccc(-n3cncn3)cc2)ccc1Br 254557758 RUXFPCVPWQTTON-UHFFFAOYSA-N 341.212 4.089 0 30 EIAC Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1C(=O)NC(C)C 4394655 RQZHRQDYTBNDLO-UHFFFAOYSA-N 344.802 4.133 0 30 EIAC CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@@H]3CC[C@@]12C 253497716 ITUMQEGPSUTXQQ-CNOFOZGGSA-N 346.511 4.178 0 30 EIAC O=C(Nc1ccc(-c2csnn2)cc1)c1c(F)cccc1Cl 106348 BTKUOMZHNYGDCA-UHFFFAOYSA-N 333.775 4.250 0 30 EIAC CCSCC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2ccccn12 1536221957 QPISJFQEYLWPPA-UHFFFAOYSA-N 339.464 4.310 0 30 EIAC Cc1noc(C(F)(F)F)c1-c1nc(-c2ccc(Cl)cc2)no1 108892 YREAKZNEVKKXCQ-UHFFFAOYSA-N 329.665 4.372 0 30 EIAC CCCC[C@H](NCOCC1c2ccccc2-c2ccccc21)C(=O)O 390822546 CLUDJBVLJWAQJT-FQEVSTJZSA-N 339.435 4.006 0 30 EIAC CCCCOCCCOC(=O)COc1ccc(Cl)cc1Cl 2039107 KZWPFFFDRDASOU-UHFFFAOYSA-N 335.227 4.122 0 30 EIAC CC(C)(C)C(=O)[C@@H](Cn1ccnc1)Oc1ccc(Cl)cc1Cl 33604886 JDSGUKVHXNGRIP-CQSZACIVSA-N 341.238 4.253 0 30 EIAC in-man CNC(=O)n1nc(C)c(Cc2csc3ccc(Cl)cc23)c1C 172495 ITTZYHTWVZYKER-UHFFFAOYSA-N 333.844 4.146 0 30 EIAC CC(C)CC(=O)O[C@H](CNC(C)C)COc1cccc2ccccc12 38493837 IUVDIYAENLTYPB-GOSISDBHSA-N 343.467 4.175 0 30 EIAC CCOC(=O)Cn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21 2265276487 KDXZCFFKWRUYOP-UHFFFAOYSA-N 340.810 4.423 0 30 EIAC O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccs1 117371 CKJSACBFTWOUNV-UHFFFAOYSA-N 337.326 4.205 0 30 EIAC Cc1nc(C)c(-c2ccn(C(=O)Nc3ccc(Cl)cc3)n2)s1 141263 DDZPTERMVKWWOS-UHFFFAOYSA-N 332.816 4.357 0 30 EIAC Brc1ccc(CSc2nccn2-c2cccnc2)cc1 74225 JABMQUKRYBZMOL-UHFFFAOYSA-N 346.253 4.322 0 30 EIAC CCOC(=O)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F 116065 IHBRYRMTSICOQV-UHFFFAOYSA-N 345.708 4.069 0 30 EIAC C[C@@H]1C[C@H](NC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@H]32)CC(C)(C)C1 252427762 DZRCPDNBURVKIV-AYFABHQYSA-N 332.557 4.266 0 30 EIAC BrC1=CN2C=Cc3cc(Br)ccc3N2C=C1 230460722 SJNVHETVTPVWAU-UHFFFAOYSA-N 340.018 4.220 0 30 EIAC CCN(CC)CCCNC(=S)c1ccc(OCCC(C)C)cc1 3632623 LBNGNSVMGRTSMZ-UHFFFAOYSA-N 336.545 4.109 0 30 EIAC CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1ccccc1Cl 232494575 KMSPDLUVELIJBQ-OAHLLOKOSA-N 338.879 4.219 0 30 EIAC O=C1CS[C@H](c2cccnc2)N1Cc1ccc(Cl)c(Cl)c1 99736 KJLIFMTXEHSVSU-OAHLLOKOSA-N 339.247 4.163 0 30 EIAC C[C@H](NC(=O)c1cccc2nsnc12)C12CC3CC(CC(C3)C1)C2 12340948 PVFBLZHEAZHYAC-NZWMYCLXSA-N 341.480 4.026 0 30 EIAC Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)ccc1CO 2265356141 UGLFPNNSIXDTLG-UHFFFAOYSA-N 330.737 4.167 0 30 EIAC O=C(O)Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccco1 32224789 ZCQAYOKVVSWYNC-UHFFFAOYSA-N 344.370 4.426 0 30 EIAC CC(C)(C)OC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)c(F)c1 202577802 LQHWPKDCUAYLGS-UHFFFAOYSA-N 349.318 4.268 0 30 EIAC CCOC(=O)CSc1nc2cc(Cl)c(Cl)cc2n1CC 121279 JPXLFLIGPMZKLZ-UHFFFAOYSA-N 333.240 4.018 0 30 EIAC CC(C)(C)OC(=O)NCc1ccccc1-c1cccc(C(=O)O)c1 1554713321 IEGOLSMZXDWQBM-UHFFFAOYSA-N 327.380 4.077 0 30 EIAC CNC(=O)c1cccc2cccc(Sc3ccccc3C(=O)O)c12 133929 APJXRVHDQFCGQM-UHFFFAOYSA-N 337.400 4.049 0 30 EIAC O=C1CSc2ccc(C(F)(F)F)cc2N1Cc1ccc(F)cc1 170101 XMBNTKZRJGDMDM-UHFFFAOYSA-N 341.329 4.483 0 30 EIAC CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 21992617 KPCDGGNHYODURF-XUDSTZEESA-N 328.452 4.226 0 30 EIAC NC1CCC(N(Cc2cccc(F)c2)Cc2cccc(F)c2)CC1 1081260654 IYEVJXONXVBUEF-UHFFFAOYSA-N 330.422 4.237 0 30 EIAC Cc1nc(-c2noc(-c3cccc(Cl)c3)n2)c(C(F)(F)F)o1 77702 HKFNGZSHRJCJJD-UHFFFAOYSA-N 329.665 4.372 0 30 EIAC Cc1cccc(C)c1N(C[C@H](C)CN(C)C)C(=O)Cc1ccccc1 2021455 NFNJSRBJRGFHHC-QGZVFWFLSA-N 338.495 4.077 0 30 EIAC CCN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1 77344 AAHHIZZANCFCIF-UHFFFAOYSA-N 328.721 4.421 0 30 EIAC Cc1nc(-c2noc(-c3ccc(Cl)cc3)n2)c(C(F)(F)F)o1 77705 WOVACMPXOWJZER-UHFFFAOYSA-N 329.665 4.372 0 30 EIAC COC(=O)[C@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 21987975 IVNBWLOUAJYGFJ-MPBGBICISA-N 334.456 4.381 0 30 EIAC CN(C)CC[C@H](N(C)C)N1c2ccccc2Sc2ccccc21 38609723 LHXFABHFWZZULJ-LJQANCHMSA-N 327.497 4.129 0 30 EIAC C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@H]2N 2265351289 BRIXFWOBRNRTOA-OROIIQQLSA-N 331.500 4.020 0 30 EIAC Cc1cccc(Cl)c1OCC(O)COc1c(C)cccc1Cl 1745535 LTZUNDGTKZEXKS-UHFFFAOYSA-N 341.234 4.429 0 30 EIAC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1ccccc1O 140774 CUGPXGSVKBCMIZ-UHFFFAOYSA-N 331.730 4.379 0 30 EIAC Clc1cccc(Cl)c1COc1cccc(N2CCOCC2)c1 141139 WEUCIMNPWYOKRY-UHFFFAOYSA-N 338.234 4.409 0 30 EIAC COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 60245845 VKSFVPAVNHZRMH-UHFFFAOYSA-N 335.190 4.178 0 30 EIAC CC(C)(C)c1ccc(C(=O)Oc2ccccc2CCC(=O)O)cc1 101919 LKKIKBIQZUMHCU-UHFFFAOYSA-N 326.392 4.221 0 30 EIAC COc1ccc(NC(C)=O)c(NC(=S)Nc2ccc(C)cc2C)c1 66979 VGKQPJWBLWSUBT-UHFFFAOYSA-N 343.452 4.079 0 30 EIAC O=C(Nc1ccccc1N1CCOCC1)Nc1cccc2ccccc12 153978 WNPBZHOWEHCIJB-UHFFFAOYSA-N 347.418 4.320 0 30 EIAC CN(C)c1c(Br)cc(Br)c2ccccc12 36452492 PHAGQBWFZBCAFI-UHFFFAOYSA-N 329.035 4.431 0 30 EIAC COC(=O)[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 21987973 IVNBWLOUAJYGFJ-FKIZINRSSA-N 334.456 4.381 0 30 EIAC CC[C@H](C)c1cccc(OC(=O)N(C)C(=O)COc2ccccc2)c1 2018525 KJXDJOLKOLXZFF-HNNXBMFYSA-N 341.407 4.236 0 30 EIAC Cc1cc2nc(Cl)cc(Cl)c2cc1I 201689088 VHMSTUFHYYCYHU-UHFFFAOYSA-N 337.975 4.455 0 30 EIAC CN(C(=O)OC(C)(C)C)c1c[nH]c2cc(Br)ccc12 238288500 BIKCNWBRFOVGNF-UHFFFAOYSA-N 325.206 4.302 0 30 EIAC CCN1CCCc2cc(C(=O)c3ccc4c(c3)CCCN4CC)ccc21 33606984 SXTAHUUIDOMSPN-UHFFFAOYSA-N 348.490 4.463 0 30 EIAC COc1ccc(CC(=O)c2ccc(Br)cc2)c(F)c1F 139667295 XWSIWCUXOPSISU-UHFFFAOYSA-N 341.151 4.161 0 30 EIAC O=C(NC(=O)c1c(Cl)cccc1Cl)Oc1c(F)cccc1F 92420 FZGUDVLYCARHDY-UHFFFAOYSA-N 346.116 4.200 0 30 EIAC Cn1c(=O)c2ccccc2[s+]1-c1cccc2cccc(C(=O)O)c12 4301008 UXBINXNSVOYXPR-UHFFFAOYSA-O 336.392 4.128 0 30 EIAC S=C(NCc1csc2ccccc12)Nc1ccc2c(c1)OCO2 69429 HVHXOCIVJRJTIO-UHFFFAOYSA-N 342.445 4.117 0 30 EIAC O=C(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)C1CCC1 114400 PGKOGHUSUULVCE-UHFFFAOYSA-N 341.411 4.479 0 30 EIAC O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1 144067 QCGLWDJTQWUYNQ-UHFFFAOYSA-N 334.350 4.330 0 30 EIAC O=C(N/C=C/c1cccs1)NCc1ccc(C(F)(F)F)cc1 171759 QJVNVLCSKICFTL-BQYQJAHWSA-N 326.343 4.237 0 30 EIAC COc1ccc2c(c1)Sc1ccccc1N2[C@H]1CCCN(C)C1 5140814 LUEVNSVASOZCPK-AWEZNQCLSA-N 326.465 4.392 0 30 EIAC CSCCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 3170131 SCEZYYPEYHYGSE-UHFFFAOYSA-N 345.251 4.050 0 30 EIAC CC(C)N1C(=O)C(=Nc2ccc(Br)cc2)c2ccccc21 254376387 USGQOGNAQRGTBN-UHFFFAOYSA-N 343.224 4.325 0 30 EIAC CCCCOCCCOC(=O)COc1cc(Cl)ccc1Cl 299803376 MBFQFEYXIXLZSG-UHFFFAOYSA-N 335.227 4.122 0 30 EIAC CSc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]1 115301 UWISEHNKSZAMDB-UHFFFAOYSA-N 327.253 4.231 0 30 EIAC NCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 221676708 LFIAAHZVGJBSMH-UHFFFAOYSA-N 338.414 4.331 0 30 EIAC Cn1c(SCc2ccc(C(F)(F)F)cc2)nnc1C(F)(F)F 120499 BYYUASHXMXINDH-UHFFFAOYSA-N 341.280 4.145 0 30 EIAC CC[C@@H]1c2cc(OC)c(O)cc2[C@H](c2ccc(O)c(OC)c2)[C@H]1C 2521531 QSYFPBASFNGQSF-LOOLNKMNSA-N 328.408 4.390 0 30 EIAC CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 263589275 HPSZQGQRLMRJLO-XHGSXZHTSA-N 334.500 4.322 0 30 EIAC COc1cccc(C(=O)Nc2ccc(Cl)cc2OC(F)(F)F)c1 111898 UMKZTPSYSPVYNN-UHFFFAOYSA-N 345.704 4.500 0 30 EIAC COc1cc2c(cc1OC)[C@H](C)N(Cc1cc(C)c(O)c(C)c1)CC2 166622 GHYUFGSFFKSVCT-HNNXBMFYSA-N 341.451 4.146 0 30 EIAC Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3)sc21 82899 DCCMYVMQIFJZCT-UHFFFAOYSA-N 343.305 4.045 0 30 EIAC COC(=O)CCc1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1 146113366 KALKZYAPTFNXCR-UHFFFAOYSA-N 340.375 4.223 0 30 EIAC Cc1ccc2nc(C(F)(F)F)n(-c3ccc(Cl)cc3)c(=O)c2c1 98188 ISHMIDJOMDZDKW-UHFFFAOYSA-N 338.716 4.366 0 30 EIAC CC(C)c1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2CCO)cc1 4389072 OVCZOLKPFIIYMW-IRLDBZIGSA-N 334.463 4.126 0 30 EIAC C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC21OCCO1 2265352155 SXXRMGBMPQWUTB-XUFBONQXSA-N 332.484 4.053 0 30 EIAC CCN1C(=O)/C(=C/C=C2\C=Cc3ccccc3N2CC)SC1=S 6147176 VXTRKKVTLJDOET-YUTYINLDSA-N 342.489 4.188 0 30 EIAC O=C(c1ccccc1)N1c2ccccc2O[C@H]1c1ccc2c(c1)OCO2 144428 KMNVWVAWWQHZRU-NRFANRHFSA-N 345.354 4.153 0 30 EIAC c1csc(-c2ccnc(SCc3ccc4nonc4c3)n2)c1 148401 PCNVVNRRDWXBTM-UHFFFAOYSA-N 326.406 4.034 0 30 EIAC FC(F)(F)c1ccc(-c2nnc(-c3ccc4nccnc4c3)o2)cc1 156674 RGQCCLZOIWTNRZ-UHFFFAOYSA-N 342.280 4.366 0 30 EIAC O=C1O[C@H](NNc2ccc(C(F)(F)F)cc2Cl)c2ccccc21 110632 NQNUKXXYLKKEFC-ZDUSSCGKSA-N 342.704 4.145 0 30 EIAC CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1 1035127 YXUHUYVUNMRELD-UHFFFAOYSA-N 329.396 4.194 0 30 EIAC Cc1cnc(NC(=O)c2c(F)cccc2Cl)c(Br)c1 147283 HLYLNHHUGRGPQM-UHFFFAOYSA-N 343.583 4.197 0 30 EIAC CC(C)(C)OC(=O)NCCCSc1ccc(Br)cc1 1656086169 IPDQAFFUTJBWEP-UHFFFAOYSA-N 346.290 4.456 0 30 EIAC O=C(OCCN1CCCCC1)[C@@H]1CC1(c1ccccc1)c1ccccc1 2019903 RBGWIGCQQIJVGI-NRFANRHFSA-N 349.474 4.022 0 30 EIAC in-man C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C#CCl 4215872 KEOBKPHJNAILCW-FUMNGEBKSA-N 330.855 4.123 0 30 EIAC in-man COc1ccc(Oc2ncccc2NC(=O)c2ccc(C)cc2)cc1 83923 BQEYNBDALOVONM-UHFFFAOYSA-N 334.375 4.443 0 30 EIAC Cc1ccc(C(=O)C(C=O)=NNc2cc(Cl)cc(Cl)c2)cc1 254307078 KEOWVVRPEALJMX-UHFFFAOYSA-N 335.190 4.152 0 30 EIAC O=C(Nc1c(Cl)ncc2ccccc12)c1cccnc1NC1CC1 34429924 NNTZVIHITIBXIB-UHFFFAOYSA-N 338.798 4.110 0 30 EIAC CC(C)(C)OC(=O)NCC[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 44544835 YCOFLZGUBSZGAT-SNVBAGLBSA-N 348.226 4.076 0 30 EIAC COc1ccc(NC(C)=O)c(NC(=S)Nc2ccccc2Cl)c1 66982 TVXHAHKZWKWCMV-UHFFFAOYSA-N 349.843 4.116 0 30 EIAC Clc1ccc(-c2csc(-c3ccc(-n4cncn4)nc3)n2)cc1 127586 DSZDOIYFJKEWJE-UHFFFAOYSA-N 339.811 4.106 0 30 EIAC O=C(OCc1ccccc1)N1Cc2ccc(Br)cc2C1 146104311 LZCLZPXCOKSFNU-UHFFFAOYSA-N 332.197 4.102 0 30 EIAC Cc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)c(C)c1 66291 DMSNQYWGTPLRHK-UHFFFAOYSA-N 348.834 4.364 0 30 EIAC Cc1ccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C 157976 GLDAGGFMHZXZMJ-UHFFFAOYSA-N 349.434 4.234 0 30 EIAC Fc1ccc(-c2n[nH]cc2C=NOCc2ccc(Cl)cc2)cc1 254315672 BPWONLYWPVTRRW-UHFFFAOYSA-N 329.762 4.420 0 30 EIAC O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1cccnc1 129846 IUHPNQXHCCSXCE-OAHLLOKOSA-N 335.329 4.469 0 30 EIAC CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2562623 HPSZQGQRLMRJLO-LWYCANNGSA-N 334.500 4.322 0 30 EIAC biogenic CCCc1nc(SC)[nH]c(=O)c1Cc1c(Cl)cccc1Cl 13468373 PVIIMHSUZGZOQE-UHFFFAOYSA-N 343.279 4.342 0 30 EIAC O=C(O)CC[C@H]1CCCCCCCCC[C@H](CCC(=O)O)C1=O 4300820 YIRDCOUZKYBLJD-HUUCEWRRSA-N 326.433 4.042 0 30 EIAC Oc1nc(SCc2c(F)cccc2Cl)nc(-c2ccccc2)n1 8637127 VTEUDRNNYIBAFJ-UHFFFAOYSA-N 347.802 4.329 0 30 EIAC CCOC(=O)c1cc(-c2csc(Nc3ccc(Cl)cc3)n2)on1 123697 PQFPRPFHQNERPJ-UHFFFAOYSA-N 349.799 4.372 0 30 EIAC CCCCCCCCCCCCCNCCSS(=O)(=O)O 95794627 MDCFFJPIOHVMNO-UHFFFAOYSA-N 339.567 4.423 0 30 EIAC Cc1ccc(CNS(=O)(=O)C=Cc2ccc(C(C)C)cc2)cc1 2265270117 YYZCWFORUDAGRE-UHFFFAOYSA-N 329.465 4.209 0 30 EIAC CC(C)(C)OC(=O)N1CCCC[C@H]1CN(Cc1ccccc1)C1CC1 888084714 GFGRIDGAHJGDDW-IBGZPJMESA-N 344.499 4.441 0 30 EIAC Cc1c(Cl)cccc1-n1c(S)nnc1CCc1ccc(O)cc1 67493 SXGCNBXISLXYKJ-UHFFFAOYSA-N 345.855 4.009 0 30 EIAC O=S(=O)(Oc1cccc2[nH]ccc12)c1ccc(Cl)cc1Cl 2151268 KPZNBJPUEAVEJM-UHFFFAOYSA-N 342.203 4.242 0 30 EIAC CCOc1ccc(N[C@@]23SCC(=O)[C@H]2CCc2ccccc23)cc1 104995 ZMLVZLBLPPGPPA-QUCCMNQESA-N 339.460 4.229 0 30 EIAC CNC(=O)c1ccccc1Sc1cccc2cccc(C(=O)O)c12 133931 VJDDYENQXYSZIF-UHFFFAOYSA-N 337.400 4.049 0 30 EIAC CN(C)c1ccc(NC(=S)NCc2csc3ccccc23)cc1 69425 UUWFNRKOSQFQGM-UHFFFAOYSA-N 341.505 4.454 0 30 EIAC CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2Cc2ccccc2)C1 26897750 DPSRCYMFYKYHJN-HXUWFJFHSA-N 330.472 4.052 0 30 EIAC O=C(NN=Cc1ccc(F)cc1Cl)c1ccccc1-n1cccc1 254622737 DBVPPTFQHNIOIA-UHFFFAOYSA-N 341.773 4.034 0 30 EIAC CCC[C@@]1(c2cccc(OC)c2)CCN(CCc2ccc(N)cc2)C1 2039089 ATBMEZMUEUHJRE-JOCHJYFZSA-N 338.495 4.264 0 30 EIAC Cc1cc(Br)c(OC(=O)c2ccco2)c2ncccc12 5765116 RYGDMVPOAPOXHJ-UHFFFAOYSA-N 332.153 4.118 0 30 EIAC Cc1ccc(Cl)cc1N1CCN(C(=O)C=Cc2ccccc2)CC1 2265279728 BWSXVIILXWADLL-UHFFFAOYSA-N 340.854 4.010 0 30 EIAC CCCCC[C@H](O)/C=C/C=C/C/C=C/C=C/C(=O)CCCC(=O)O 96347807 RIUDRKHGFDAKPO-RXDPEAMGSA-N 334.456 4.367 0 30 EIAC COc1cccc(C(=O)ON=C(C)[C@H]2C[C@H]2c2ccc(F)cc2)c1 4091581 FWHQLNQEJVBFLP-MSOLQXFVSA-N 327.355 4.171 0 30 EIAC CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cccc(C(F)(F)F)c2)C1 39953968 RUIJEEAQKYFWIF-CQSZACIVSA-N 345.361 4.484 0 30 EIAC Cc1cccc(C)c1Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1 5161212 GYBJEFAGISHFTI-UHFFFAOYSA-N 343.404 4.153 0 30 EIAC O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 110182 MLGZTSUUVBUWTH-UHFFFAOYSA-N 342.826 4.467 0 30 EIAC COC(=O)[C@@H](C)CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 21987970 IVNBWLOUAJYGFJ-YUNKPMOVSA-N 334.456 4.381 0 30 EIAC CCCCOc1ccccc1C(=O)N[C@H](C)CCCN(CC)CC 5514428 GRGMRWONIIDWBX-QGZVFWFLSA-N 334.504 4.106 0 30 EIAC Cn1ccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 36048346 WZZVOLNXFDTMPS-UHFFFAOYSA-N 326.787 4.385 0 30 EIAC CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2C2(CC2)C1 204686360 SPKVDLFDICLOLM-UHFFFAOYSA-N 338.245 4.231 0 30 EIAC COC(=O)c1sc(-c2cccs2)cc1NC(=O)c1ccco1 117124 PMFQDTADDHRUMH-UHFFFAOYSA-N 333.390 4.109 0 30 EIAC CCOC(CN(C(=O)c1ccc(F)cc1)c1ccc(F)cc1)OCC 2151253 DIVKWNGXHGZRMX-UHFFFAOYSA-N 349.377 4.011 0 30 EIAC CSc1nnc(CCCCCCCCc2nnc(SC)o2)o1 4336784 JRSNHJAVLQCLMW-UHFFFAOYSA-N 342.490 4.022 0 30 EIAC Oc1nc(SCc2ccc(Cl)cc2)nc(-c2ccccc2)n1 8637124 ZCZYOBKFMGLCEE-UHFFFAOYSA-N 329.812 4.190 0 30 EIAC O=S(=O)(CCSc1ccc(Cl)cc1)c1ccc(F)cc1 170498 UVOCPZUEEURHFL-UHFFFAOYSA-N 330.833 4.045 0 30 EIAC Cc1onc(-c2ccccc2)c1NC(=O)Nc1nnc(C2CC2)s1 155073 NLZGELVWBNSFRN-UHFFFAOYSA-N 341.396 4.023 0 30 EIAC COc1cc(N2C(=O)CS[C@H]2c2ccccc2)c(OC)cc1Cl 67313 AEKBABUVOLGTHL-KRWDZBQOSA-N 349.839 4.136 0 30 EIAC CN1C(=O)c2ccccc2[S@]12OC(=O)c1cccc3cccc2c13 100247128 RLBAEWCGYHOJMS-UHFFFAOYSA-N 335.384 4.148 0 30 EIAC CCc1ccc(-n2nnnc2/C=C/Nc2ccc(F)c(Cl)c2)cc1 100160104 XSEBHGZRNAPGOP-MDZDMXLPSA-N 343.793 4.100 0 30 EIAC O=S(=O)(c1ccc2ccccc2c1)N1CC=C(c2ccccc2)CC1 129876 YAAHSXLMTCZDEI-UHFFFAOYSA-N 349.455 4.318 0 30 EIAC CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1 16697343 SBDIGZAKUAGTCO-UHFFFAOYSA-N 345.361 4.484 0 30 EIAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351363 GDSSWKSLDBUUPM-DOTXUXAMSA-N 331.500 4.103 0 30 EIAC O=C(NCc1cccnc1)C1CCC(c2ccc(Cl)cc2)CC1 157151 FXECGWGAPAQZTJ-UHFFFAOYSA-N 328.843 4.325 0 30 EIAC COC(=O)C(Cc1cccc(C)n1)(c1ccccc1)c1ccccc1 164338 KJJSYRYJTJRJJO-UHFFFAOYSA-N 331.415 4.092 0 30 EIAC Cc1nc(-c2noc(-c3ccccc3Cl)n2)c(C(F)(F)F)o1 77699 QJGGWZAFDUXAHD-UHFFFAOYSA-N 329.665 4.372 0 30 EIAC Cc1csc2c(NC3CCN(Cc4ccccc4)CC3)ncnc12 116396 IIXBHKOPEYTHQC-UHFFFAOYSA-N 338.480 4.076 0 30 EIAC CSc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1C(C)=O 96331 GGDPBOPWMRRCRF-UHFFFAOYSA-N 331.828 4.283 0 30 EIAC O=C1CS[C@H](c2cccnc2)N1c1ccc(Cl)cc1Cl 99541 SMIUVUVGXOZUFW-CQSZACIVSA-N 325.220 4.167 0 30 EIAC CCCCCCCCCCCC/C=C/[C@H]1CC(=O)N(CCO)C1=O 111879187 IZWYOWSXBHHHGW-JKGDOXCYSA-N 337.504 4.221 0 30 EIAC COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)cc1 88684 PYYPCJBOQYQSKW-SFHVURJKSA-N 328.799 4.046 0 30 EIAC O=C(OCCSc1ccc(Cl)cn1)c1cccc(Cl)c1 4300702 YAWPWXHAXUQHHA-UHFFFAOYSA-N 328.220 4.338 0 30 EIAC CC(=O)c1sc(C(C)(C)C)cc1NC(=O)c1ccccc1C(=O)O 82611 FQRPHLJLYPTTQW-UHFFFAOYSA-N 345.420 4.199 0 30 EIAC O=C1CS[C@H](c2cccnc2)N1c1ccc(Cl)c(Cl)c1 99552 QJVFNMFMVSTQDB-CQSZACIVSA-N 325.220 4.167 0 30 EIAC CC(=O)c1ccc2c(c1)N(C[C@@H](C)N(C)C)c1ccccc1S2 2019621 XLOQNFNTQIRSOX-CYBMUJFWSA-N 326.465 4.442 0 30 EIAC world CC(C)(C)OC(=O)NCc1ccc(Br)c2cccnc12 72233154 FJSBXDYMHIAUMW-UHFFFAOYSA-N 337.217 4.022 0 30 EIAC O=C(NC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1 4323254 RCJGNEPCUKKOQL-UHFFFAOYSA-N 332.831 4.205 0 30 EIAC O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1c1ccc(Cl)cc1 2265276918 SJMHOIBGDQLPFB-UHFFFAOYSA-N 349.242 4.256 0 30 EIAC COc1ccc(OC)c(CCCCc2cc(OC)ccc2OC)c1 4321713 FNQMKXVAGFQUCW-UHFFFAOYSA-N 330.424 4.286 0 30 EIAC O=C(O[C@@H]1CCSC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 142079 LAZVDVUUUPPLPG-SNVBAGLBSA-N 344.276 4.387 0 30 EIAC CSc1nn(-c2ccccc2)cc1C(=O)Oc1ccc(Cl)cc1 170676 JVIDNKKWYPWZOS-UHFFFAOYSA-N 344.823 4.467 0 30 EIAC Cc1cccc(C)c1N(C[C@@H](C)CN(C)C)C(=O)Cc1ccccc1 2021454 NFNJSRBJRGFHHC-KRWDZBQOSA-N 338.495 4.077 0 30 EIAC C/C=C(\C)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 195789086 FQBPPRHPMNYTKP-BIMFAAKUSA-N 328.531 4.123 0 30 EIAC C[C@H](COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)CN(C)C 2034467 HYLZXXAYLLCCPW-HNNXBMFYSA-N 337.419 4.037 0 30 EIAC CCOC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1 160608 PYFOTIFZYCPBDQ-UHFFFAOYSA-N 338.432 4.195 0 30 EIAC O=C(C=Cc1ccc(OCCCF)cc1)NCc1cccc(Cl)c1 2265269972 IGAJFINVVBTZTE-UHFFFAOYSA-N 347.817 4.408 0 30 EIAC CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 2265351404 HQUYSOXTMKZRPF-CAYFNDFTSA-N 334.500 4.466 0 30 EIAC O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)C(=O)OC2 170326 FWZGSGQTRSRCFL-UHFFFAOYSA-N 337.162 4.308 0 30 EIAC FC(F)(F)c1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1 156664 GKMIHRCKYAICPW-UHFFFAOYSA-N 334.253 4.151 0 30 EIAC FC(F)(F)c1cnc(N2CCC(n3cccc3)CC2)c(Cl)c1 20443557 DIOOTLCZIRTPSJ-UHFFFAOYSA-N 329.753 4.397 0 30 EIAC C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC21OCCO1 2265351804 SXXRMGBMPQWUTB-DWIKVQACSA-N 332.484 4.053 0 30 EIAC O=C(O)CC1(CC(=O)Nc2cc(F)ccc2Cl)CCCCC1 129670 SBYNFXVVCCYFAX-UHFFFAOYSA-N 327.783 4.233 0 30 EIAC CCC[C@]1(c2cccc(OC)c2)CCN(CCc2ccc(N)cc2)C1 2039090 ATBMEZMUEUHJRE-QFIPXVFZSA-N 338.495 4.264 0 30 EIAC O=C(c1cccs1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 98023269 OYQUETXCQXMWSO-FZKQIMNGSA-N 337.400 4.039 0 30 EIAC CCOC(CN(C(=O)c1ccc(C)cc1)c1ccc(F)cc1)OCC 2151256 PTJSGKVPDNEEEK-UHFFFAOYSA-N 345.414 4.180 0 30 EIAC CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96329052 HPSZQGQRLMRJLO-KFEVXASFSA-N 334.500 4.322 0 30 EIAC CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCc3sccc32)cc1 422798189 QBQYUBQEAVXMDJ-ZWKOTPCHSA-N 342.508 4.108 0 30 EIAC Cn1c(Cl)c(C=NOC(=O)c2ccc(F)cc2)c2ccccc21 254398793 CYGZXTUKOZQJGZ-UHFFFAOYSA-N 330.746 4.162 0 30 EIAC C[C@H](Oc1ccc(Cl)cc1)c1nnc(S)n1-c1ccccc1 163569 MDPQCTHZJSAQPG-NSHDSACASA-N 331.828 4.349 0 30 EIAC CC(C)(C)OC(=O)Nc1ncc(Br)cc1C(F)(F)F 143297971 OIBAQYOXMCTYAP-UHFFFAOYSA-N 341.127 4.210 0 30 EIAC O=P[C@](O)(CCCCc1ccccc1)C(=O)OCc1ccccc1 199509431 GJOGLBJZROSMPE-LJQANCHMSA-N 344.347 4.123 0 30 EIAC O=C1CS[C@@H](c2cccnc2)N1Cc1ccc(Cl)cc1Cl 99555 QEUQNLNBOLGANT-HNNXBMFYSA-N 339.247 4.163 0 30 EIAC O=C(NCCSCc1ccc(Cl)cc1)c1c(F)cccc1F 4390591 QYVZVIUPJXGGFL-UHFFFAOYSA-N 341.810 4.281 0 30 EIAC CC(C)Oc1ccc(-c2nnc(Br)s2)cc1Cl 91306147 UZNDXSJHAVHWFH-UHFFFAOYSA-N 333.638 4.408 0 30 EIAC Cc1nn(-c2ccccc2)nc1C(=O)Oc1c(Cl)cccc1Cl 166237 NFLQKQNDHRRNNR-UHFFFAOYSA-N 348.189 4.102 0 30 EIAC Cc1cccc(C)c1N(CCCN(C)C)C(=O)/C=C/c1ccccc1 2017425 OVAZLWZUJJDABM-CCEZHUSRSA-N 336.479 4.302 0 30 EIAC CCCc1cc(S(=O)(=O)O)c2nc(-c3ccccc3)ccc2c1 39140618 QVNKPCXYKYSABX-UHFFFAOYSA-N 327.405 4.101 0 30 EIAC COc1cc(C(c2ccccc2)c2ccc(N)c(OC)c2)ccc1N 39416395 MLYNBXBOZUQBFW-UHFFFAOYSA-N 334.419 4.048 0 30 EIAC CN(C)CC/C=C(/c1ccc(Br)cc1)c1cccnc1 3646554 SDWRRDOPCKSOKJ-FMQZQXMHSA-N 331.257 4.228 0 30 EIAC O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1cccnc1 129842 IUHPNQXHCCSXCE-HNNXBMFYSA-N 335.329 4.469 0 30 EIAC CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H]2CC(=O)C(Cc3ccco3)=C2C)C1(C)C 31771105 BEYOLLQLGMGJDC-QRQLOZEOSA-N 342.435 4.262 0 30 EIAC COC(=O)c1c[nH]c2c(C(F)(F)F)cc(-c3cccs3)nc12 37593663 XOOJTMRONISBSU-UHFFFAOYSA-N 326.299 4.097 0 30 EIAC CSc1ccccc1CNC(=O)NC12CC3CC(CC(C3)C1)C2 4364655 WPXRUUMUUGRZGQ-UHFFFAOYSA-N 330.497 4.177 0 30 EIAC CCCCOc1ccccc1C(=O)N[C@@H](C)CCCN(CC)CC 5514426 GRGMRWONIIDWBX-KRWDZBQOSA-N 334.504 4.106 0 30 EIAC CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 4390550 NWNMCIJYDBZWRX-OAHLLOKOSA-N 339.435 4.399 0 30 EIAC C[C@]12CC[C@H]3[C@@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@H]2O 118912711 FUOKARGLKLNTHY-RABCQHRBSA-N 332.484 4.053 0 30 EIAC CC(C)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 2242137799 MNSPOLYONYCORF-UHFFFAOYSA-N 345.406 4.449 0 30 EIAC COc1ccc([C@@H]2c3ccsc3CCN2C(=O)NC(C)(C)C)cc1 112809 GPZLXETWYWTFIY-QGZVFWFLSA-N 344.480 4.212 0 30 EIAC Cc1ccc(S(=O)(=O)CCSc2ccc(Cl)cc2)cc1 165296 HGNMJILZSFHVMX-UHFFFAOYSA-N 326.870 4.214 0 30 EIAC CC(C)(C)OC(=O)N1CCCC[C@H]1c1cncc(Br)c1 91352980 CDQBQQCNUOIRSK-ZDUSSCGKSA-N 341.249 4.306 0 30 EIAC CCOC(=O)/C=C/c1c(NC(=O)OC(C)(C)C)ccc(Cl)c1F 1848349933 COXODWSUJKXLRL-RMKNXTFCSA-N 343.782 4.402 0 30 EIAC CC(C)(C)c1cc2ncnc(NCc3ccc4c(c3)OCO4)c2s1 118368 SIRGAFJGGUCALP-UHFFFAOYSA-N 341.436 4.330 0 30 EIAC C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl 67086 UPOGVOIRLOVHKQ-JTQLQIEISA-N 349.217 4.371 0 30 EIAC Cc1cc(C)c(C(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1 112747 NQDZVNDFQVSFST-UHFFFAOYSA-N 341.476 4.408 0 30 EIAC CCCc1c(C)nc(SCc2c(F)cccc2Cl)[nH]c1=O 18084411 QPVLGIJQFBLART-UHFFFAOYSA-N 326.824 4.116 0 30 EIAC O=C1CS[C@H](c2cccnc2)N1c1cc(Cl)cc(Cl)c1 99471 KMIGEZOZLGPHIZ-CQSZACIVSA-N 325.220 4.167 0 30 EIAC O=C(Nc1ccc2nccnc2c1)c1csc(-c2ccccc2)n1 131554 VVRTYIKCYMKHES-UHFFFAOYSA-N 332.388 4.006 0 30 EIAC Cc1ccc(C(=O)[C@@H](C)c2c(O)c3ccccc3oc2=O)c(Cl)c1 70293 WCEQQGXSOZUVPP-NSHDSACASA-N 342.778 4.447 0 30 EIAC O=S(=O)(NCc1csc2ccc(Cl)cc12)c1ccccc1 147971 MMWFIDGMHOJSBY-UHFFFAOYSA-N 337.853 4.033 0 30 EIAC Cc1nc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)no2)cs1 123854 IQMDIAMFWHNUSC-UHFFFAOYSA-N 344.783 4.477 0 30 EIAC COC(=O)c1scc(C)c1NC(=O)c1cccc(C(F)(F)F)c1 4324088 CAHPVYRDUSYNPY-UHFFFAOYSA-N 343.326 4.114 0 30 EIAC C[C@H](N)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 40435158 OXUQPVQALZBYSG-AWEZNQCLSA-N 341.418 4.455 0 30 EIAC O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 95616899 KOIXLNLJQOSNOZ-IAGOWNOFSA-N 349.352 4.006 0 30 EIAC O=C(c1ccccc1)c1c(Br)cccc1Br 144547643 RPLHWMIMZFQASU-UHFFFAOYSA-N 340.014 4.443 0 30 EIAC Cn1nc(C(F)(F)F)c(C=NO)c1SCc1ccccc1Cl 254712978 HWIUCKJBBBFNGG-UHFFFAOYSA-N 349.765 4.193 0 30 EIAC O=C(NCc1ccncc1)C1CCC(c2ccc(Cl)cc2)CC1 157159 SEYXGXMXMPARTP-UHFFFAOYSA-N 328.843 4.325 0 30 EIAC O=C(c1cccs1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 98023268 OYQUETXCQXMWSO-UGSOOPFHSA-N 337.400 4.039 0 30 EIAC Clc1ccc([C@H]2OC(CCCN3CCCC3)=NN2Cl)cc1 604934879 IPCWXJWFKUWDNN-OAHLLOKOSA-N 328.243 4.014 0 30 EIAC CC(C)(CC(=O)O)CC(=O)Nc1ccccc1Oc1ccccc1 152874 XSKHEFXKJMMMEA-UHFFFAOYSA-N 327.380 4.308 0 30 EIAC Cc1onc(-c2ccccc2)c1C(=O)NC(=N)c1ccc(Cl)cc1 15924048 GLKDLJVTODGWIE-UHFFFAOYSA-N 339.782 4.059 0 30 EIAC C[Si](C)(C)N1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 195756331 JXTYHIJFKDXKHG-UHFFFAOYSA-N 342.902 4.359 0 30 EIAC OCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl 90740753 WJXVUDLJJISECG-UHFFFAOYSA-N 346.037 4.452 0 30 EIAC COc1cc(CCc2cc(OC)c(C)cc2OC)c(OC)cc1C 163133 ZWZPOQKXBROGDW-UHFFFAOYSA-N 330.424 4.123 0 30 EIAC CSc1cccc(-n2c(CCc3ccc(O)cc3)n[nH]c2=S)c1 150164 WFSOIHYEZBJSRL-UHFFFAOYSA-N 343.477 4.143 0 30 EIAC FC(F)(F)Oc1ccc(NCn2nnc3cc(Cl)ccc32)cc1 103857 KNNODBOSBAOJJH-UHFFFAOYSA-N 342.708 4.053 0 30 EIAC O=S(=O)(Oc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 4321580 PDNUGYLPMBMGFI-UHFFFAOYSA-N 344.363 4.386 0 30 EIAC CC(C)c1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2CCO)cc1 4389073 OVCZOLKPFIIYMW-UNMCSNQZSA-N 334.463 4.126 0 30 EIAC CCN(C(=O)Cc1ncccc1N(C(C)C)C(C)C)c1ccccc1 2265362219 JUGADVCNGZMONP-UHFFFAOYSA-N 339.483 4.300 0 30 EIAC FC(F)(F)c1ccc(-c2nnc(-c3ccc4nsnc4c3)o2)cc1 156669 VYTXUOHNEDNSOL-UHFFFAOYSA-N 348.309 4.427 0 30 EIAC CC(=O)c1ccc2c(c1)N(C[C@H](C)N(C)C)c1ccccc1S2 1481714 XLOQNFNTQIRSOX-ZDUSSCGKSA-N 326.465 4.442 0 30 EIAC world CCOC(=O)c1oc2ccc(Br)c(OC(C)C)c2c1C 85342978 KRDNJGSDLJDNSQ-UHFFFAOYSA-N 341.201 4.468 0 30 EIAC Cc1cc(NC(=S)N2CCCCCC2)ccc1Br 72980 HNOPYKKQBOOSDW-UHFFFAOYSA-N 327.291 4.330 0 30 EIAC CCCCNC(=O)n1nccc1-c1sc(-c2cccs2)nc1C 2150984 KOPBWLPCKOHWKS-UHFFFAOYSA-N 346.481 4.401 0 30 EIAC CSc1c(NC(=O)c2c(C)noc2C)cccc1C(F)(F)F 36047236 HYXNMYKQJHFBHZ-UHFFFAOYSA-N 330.331 4.284 0 30 EIAC CCOC(=O)c1csc(-c2sc(SC)c(C(C)=O)c2C)n1 148745 RWWJROWJYCSWKK-UHFFFAOYSA-N 341.479 4.281 0 30 EIAC C[C@@H](c1ccccc1)n1c(CCc2ccc(O)cc2)n[nH]c1=S 150170 CFOKTTYFJMWEKH-ZDUSSCGKSA-N 325.437 4.041 0 30 EIAC COCOCc1cc(Oc2ccc(C#N)cc2)ccc1Br 114175971 QAAOKUXSTGHCIQ-UHFFFAOYSA-N 348.196 4.234 0 30 EIAC FC(F)(F)c1cc(-c2ccncc2)nc2cc(-c3ccco3)nn12 170917 JGLPYPSGGVAOTJ-UHFFFAOYSA-N 330.269 4.070 0 30 EIAC CC(=O)CSC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 80344 YRYKRHILWOGUHX-UHFFFAOYSA-N 344.219 4.419 0 30 EIAC O=C(NCc1ccccc1Cl)c1cnc(Cl)cc1C(F)(F)F 4382931 TZPKFJPBVFTVBI-UHFFFAOYSA-N 349.139 4.337 0 30 EIAC CSC1=Nc2sc3c(c2[C@@H](c2ccccc2)N1N)CCCC3 33900441 KRYYTWWDSXXZPL-OAHLLOKOSA-N 329.494 4.256 0 30 EIAC Cc1ccc(CON=Cc2cc3c(cc2Br)OCO3)cc1 254350469 KVLZTJBXWRUNKR-UHFFFAOYSA-N 348.196 4.037 0 30 EIAC CC(C)(Br)C(=O)OC(c1ccccc1)c1ccccc1 33606706 NKNPNXLUEMIZFU-UHFFFAOYSA-N 333.225 4.493 0 30 EIAC CCN(CC)CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1 5650075 YKYLGHJUFYBRRK-UHFFFAOYSA-N 346.858 4.313 0 30 EIAC CC(=O)OCOC(=O)c1cscc1Nc1cccc(C)c1Cl 876 KMGLZXXYCVKWOP-UHFFFAOYSA-N 339.800 4.131 0 30 EIAC in-man COc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)c(OC)n1 111541 CUCSNQSTNALVIJ-UHFFFAOYSA-N 342.182 4.050 0 30 EIAC CC(C)(C)c1ccc(C=CC(=O)Nc2ccc3c(c2)OCCO3)cc1 2265228131 GZTFUVZVLYUPRG-UHFFFAOYSA-N 337.419 4.407 0 30 EIAC O=C(O)CS[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 3126300 GKJHKTABFYRMPR-INIZCTEOSA-N 334.824 4.472 0 30 EIAC O=C(Nc1ccc2nsnc2c1)c1cccnc1Oc1ccccc1 12340849 FJQDWIWSKPOZRN-UHFFFAOYSA-N 348.387 4.131 0 30 EIAC CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5C[C@@H]5[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C 253497718 ITUMQEGPSUTXQQ-OAUKXNRCSA-N 346.511 4.178 0 30 EIAC C[S@@](=O)(=NC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 100217141 RJZADDXGAVESAI-QFIPXVFZSA-N 333.796 4.383 0 30 EIAC COc1ccc([C@@H]2C[C@@H]2C(C)=NOC(=O)c2ccc(F)cc2)cc1 4013408 JSTWPIVFSOQCCS-MSOLQXFVSA-N 327.355 4.171 0 30 EIAC COc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1 4382925 PCDMRXYDMPEFQM-UHFFFAOYSA-N 330.693 4.015 0 30 EIAC Cc1ccc(-c2[nH]c3ccccc3c2SCc2nn[nH]n2)c(C)c1 5765304 QYTWSUBGAJZYQS-UHFFFAOYSA-N 335.436 4.257 0 30 EIAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351364 GDSSWKSLDBUUPM-HNWQHMRLSA-N 331.500 4.103 0 30 EIAC O=C(Nc1ccc2nsnc2c1)Nc1ccccc1C(F)(F)F 12340902 YZBFPTIFXQMGRI-UHFFFAOYSA-N 338.314 4.354 0 30 EIAC C[C@H](c1ccccc1)n1c(CCc2ccc(O)cc2)n[nH]c1=S 150172 CFOKTTYFJMWEKH-CYBMUJFWSA-N 325.437 4.041 0 30 EIAC C[C@]12CC[C@H]3[C@@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@H]2O 118912712 FUOKARGLKLNTHY-OROIIQQLSA-N 332.484 4.053 0 30 EIAC CSc1[nH]nc(-c2ccc(Cl)cc2)c1SC(=O)N(C)C 78097 BQKFGXVTGKTYAE-UHFFFAOYSA-N 327.862 4.226 0 30 EIAC Cn1c(Cl)c(C=NOC(=O)Cc2cccs2)c2ccccc21 254836090 DSRLRCCCELVPFO-UHFFFAOYSA-N 332.812 4.013 0 30 EIAC O=C(NC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 166372 OLFTXWLNJYGRPQ-UHFFFAOYSA-N 345.132 4.234 0 30 EIAC Fc1c(I)cc(C(F)(F)F)cc1C(F)F 1857787590 XKYYNOLYJUPFGI-UHFFFAOYSA-N 340.004 4.387 0 30 EIAC O=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1F 167416 BGQSZDNVOAWGFQ-UHFFFAOYSA-N 346.116 4.200 0 30 EIAC CCOc1ccc(N[C@]23SCC(=O)[C@H]2CCc2ccccc23)cc1 104999 ZMLVZLBLPPGPPA-UYAOXDASSA-N 339.460 4.229 0 30 EIAC CCNC(=O)C(C)(C)Oc1ccc(Cc2ccc(Cl)cc2)cc1 33866080 ANYIRRMSXXPYED-UHFFFAOYSA-N 331.843 4.224 0 30 EIAC ClC1=C(CN2CCSCC2)CSc2ccc(Cl)cc21 20223817 HQDZSDRNWNKYCE-UHFFFAOYSA-N 332.321 4.444 0 30 EIAC O=C(O)[C@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl 137065 DDXHUKKFOWCFKU-YOEHRIQHSA-N 335.831 4.037 0 30 EIAC CC(=NOC(=O)C1CC1)c1sc(-c2ccc(Cl)cc2)nc1C 254302583 KKCKPHSTRZGZIU-UHFFFAOYSA-N 334.828 4.449 0 30 EIAC CC(C)(C)c1cc(=O)n2nc(C(F)(F)F)c(-c3ccccc3)c2[nH]1 100232450 JZVCACATMZICKJ-UHFFFAOYSA-N 335.329 4.006 0 30 EIAC C/C=C(\C)C(=O)Nc1ccccc1C[C@@H]1c2ccccc2CCN1C 20412878 MFIHINBTMKETRH-MYNVMIGVSA-N 334.463 4.363 0 30 EIAC