smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S1(=O)CCC(=NNc2cccc(Cl)c2)c2ccsc21 263629366 AATSOLCMGCURRU-UHFFFAOYSA-N 326.830 3.395 0 30 EGAC COc1cccc2c1oc(=O)c1c(N)nc(-c3ccc(C)cc3)nc12 32287031 XQFYMPQLCKUBSR-UHFFFAOYSA-N 333.347 3.302 0 30 EGAC CSc1nnc(SC)n1NC(=N)c1cccc(C(F)(F)F)c1 119925 AOIINGFULMHZQV-UHFFFAOYSA-N 347.391 3.310 0 30 EGAC CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)O)CC1 234243214 PCEPBBOZZJAHST-UHFFFAOYSA-N 337.375 3.485 0 30 EGAC CCN(CC)CCN(Cc1ccncc1)C(=O)/C=C/c1ccccc1 2020341 MHOSSAXQCIYCJI-ZHACJKMWSA-N 337.467 3.465 0 30 EGAC O=c1oc(-c2c(F)cccc2F)nn1-c1ccc(C(F)(F)F)cn1 77935 UHUSGNFVMZTQOX-UHFFFAOYSA-N 343.211 3.185 0 30 EGAC CCN(CC)Cc1nc(O)c2c(Cl)cc(Cl)c(OC)c2n1 45817594 ZTZRTEYVPYRELX-UHFFFAOYSA-N 330.215 3.493 0 30 EGAC O=C(C1=NNC[C@H]1c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 85966 MLUAHPRSYJYLJW-KRWDZBQOSA-N 344.370 3.494 0 30 EGAC O=S(=O)(Cc1nc(-c2ccsc2)no1)c1ccc(Cl)cc1 109364 HMQMMFPHDYRUAQ-UHFFFAOYSA-N 340.813 3.425 0 30 EGAC S=C(NCc1cccs1)NNc1c(Cl)cncc1Cl 75959 JICGTTLHAJVRNZ-UHFFFAOYSA-N 333.269 3.441 0 30 EGAC Cc1cc(C(=O)NCCc2cn(C)c3ccccc23)c2c(C)noc2n1 618545868 XCGVTCYAWFQQGN-UHFFFAOYSA-N 348.406 3.304 0 30 EGAC CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc(Br)cc1 95642307 NCPBCAHFYLOXPP-CYBMUJFWSA-N 341.249 3.331 0 30 EGAC COc1ccc(CNC(=O)CSc2nc3cccnc3s2)cc1 4335987 DYZBVHSZWXIDDQ-UHFFFAOYSA-N 345.449 3.108 0 30 EGAC O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2C[C@H]12 725240382 ASRYHUYFNSHKKU-LMMKCTJWSA-N 349.386 3.340 0 30 EGAC O=S(=O)(O)c1ccc(Nc2ncnc3cc(Cl)ccc23)cc1 33686645 SNUUIHWDRLXFSU-UHFFFAOYSA-N 335.772 3.274 0 30 EGAC CSc1sc(C(=O)O)c2c1S(=O)(=O)N(C)c1ccsc1-2 3180941 HOELBQKQJGFBKN-UHFFFAOYSA-N 347.464 3.035 0 30 EGAC CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]12 252428473 GOVFOZKNRWQPFU-VKKKGTNTSA-N 337.297 3.287 0 30 EGAC CCCCOC(=O)Nc1ccccc1OC[C@@H](O)CNC(C)(C)C 1853493 VFTUWXQTEBQSBU-AWEZNQCLSA-N 338.448 3.163 0 30 EGAC CCOC(=O)C(=Cc1cc2ccccc2nc1Cl)C(=O)OCC 32099773 MYTXSLXDVBNXFO-UHFFFAOYSA-N 333.771 3.398 0 30 EGAC CCOC(=O)N1CCC(OCCN(CC)CC)(c2ccccc2)CC1 33607692 LEJNAECTTDCOPF-UHFFFAOYSA-N 348.487 3.493 0 30 EGAC Cn1c(SCc2nc(-c3ccccc3)no2)nnc1C(F)(F)F 7198846 LYFCPLSBXNVMJW-UHFFFAOYSA-N 341.318 3.176 0 30 EGAC NC(=O)C1(Nc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 1574352 AEKOWUCMHAZKCM-UHFFFAOYSA-N 343.858 3.272 0 30 EGAC O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cccc(Cl)c1 126966 DYSAVYRMKDRPHB-UHFFFAOYSA-N 330.693 3.159 0 30 EGAC O=C(NC(=O)c1cccnc1)NC(c1ccccc1)c1ccccc1 33895376 FLKSZAQZBFTGRX-UHFFFAOYSA-N 331.375 3.311 0 30 EGAC O=C(O)[C@H](Cc1ccnc2ccccc12)C(=O)OCc1ccccc1 238730493 BOBHRHQCEKNERT-KRWDZBQOSA-N 335.359 3.222 0 30 EGAC O=C(O)CC1(CC(=O)Nc2ccc3c(c2)C(=O)OC3)CCCCC1 129776 PDULPNSDLRZDTK-UHFFFAOYSA-N 331.368 3.111 0 30 EGAC Cc1nsc2nc(-c3ccc(I)cc3)cn12 39326031 YWWKRSRDWURTFC-UHFFFAOYSA-N 341.177 3.371 0 30 EGAC Cc1ccccc1NC(=S)Nc1cc(NS(C)(=O)=O)ccc1C 67591 PJBHBBMKERQDTB-UHFFFAOYSA-N 349.481 3.484 0 30 EGAC COC(=O)Cc1csc(COc2ccc(Br)cc2)n1 64872477 YHHMOKYMTOGINP-UHFFFAOYSA-N 342.214 3.200 0 30 EGAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351372 GKEOVXGMIWMMQG-RENSIRAGSA-N 347.499 3.074 0 30 EGAC Cc1nc(C)c(-c2ccn(S(=O)(=O)c3ccccc3Cl)n2)o1 107495 WLNYINUYPCXKDD-UHFFFAOYSA-N 337.788 3.045 0 30 EGAC COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2C)cc1OC 32288255 WYWJRRYIUKOUAD-UHFFFAOYSA-N 346.379 3.269 0 30 EGAC Cc1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n(C)oc1=O 121831 WOMVCGRFQYTEDK-UHFFFAOYSA-N 325.246 3.023 0 30 EGAC CCO[C@H](C)O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1 85474959 CZTZICYNMYGUNU-NWANDNLSSA-N 335.400 3.273 0 30 EGAC in-vitro Cc1cnc(NS(=O)(=O)c2ccc(F)cc2)c(Br)c1 117840 QDWJTUQZUVFTCG-UHFFFAOYSA-N 345.193 3.092 0 30 EGAC Cc1nc(-c2ccc(S(=O)(=O)NCc3ccco3)s2)cs1 66158 ZHEHFOGRXDNNBW-UHFFFAOYSA-N 340.451 3.252 0 30 EGAC CCOC(=O)c1ccc(-c2cn3c(Br)cnc3cn2)cc1 217836589 TUGXRSFPJZMREB-UHFFFAOYSA-N 346.184 3.336 0 30 EGAC NCc1ccc(CNC(=O)C[C@H]2CCCc3ccccc32)c(F)c1 653224357 SRAYEZHDJKXKFM-MRXNPFEDSA-N 326.415 3.411 0 30 EGAC O=C([C@@H]1C[C@H]1COc1ccccc1)N1CCN(c2ccccc2)CC1 33639261 KTFLNFAMHFYTOF-FXAWDEMLSA-N 336.435 3.050 0 30 EGAC COc1ccc2[nH]cc(CCNC[C@H]3COc4ccccc4O3)c2c1 33903335 RAHWBHSCAILHCG-INIZCTEOSA-N 338.407 3.149 0 30 EGAC CCN(CC)C(=S)Oc1ccc(I)cc1 72107 SYNNUTNGSZIXTA-UHFFFAOYSA-N 335.210 3.297 0 30 EGAC Cn1c(CNC(=O)OC(C)(C)C)nnc1SCc1ccccc1 171470 NJIMNWGPZKMWJD-UHFFFAOYSA-N 334.445 3.132 0 30 EGAC CC[C@H]1N(CC)COC12CCN([C@@H]1CCc3ccccc3C1)CC2 33755855 JTNZLQZXOOINRG-WOJBJXKFSA-N 328.500 3.467 0 30 EGAC CCOC(=O)c1csc(Cc2ccc(-c3csnn3)cc2)n1 107099 AKAJVHNWNFYZPI-UHFFFAOYSA-N 331.422 3.429 0 30 EGAC COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CCN3CCC2 15217667 FCYJGRFDMUVIHS-OXJNMPFZSA-N 327.424 3.062 0 30 EGAC biogenic CNC(=O)c1c(C)nn(-c2ccc(F)c(Cl)c2)c1-c1cc(C)on1 124073 HGIHGWMZWKGWBR-UHFFFAOYSA-N 348.765 3.296 0 30 EGAC O=C(CNC(=O)c1ccccc1F)c1ccc(Br)cc1 166706 BLWBTLOWCRAKAN-UHFFFAOYSA-N 336.160 3.201 0 30 EGAC O=C(O)c1cnc2c(Br)ccc(Br)c2c1O 42582160 WKYBCCFNEQGRSZ-UHFFFAOYSA-N 346.962 3.164 0 30 EGAC in-vitro CC(C)(C)OC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 95616893 SBYDSWGHJFFGJY-LLVKDONJSA-N 343.221 3.232 0 30 EGAC COc1ccccc1N1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 152894 DVOGAODGHIXYRO-UHFFFAOYSA-N 348.450 3.408 0 30 EGAC C[C@]12CCC3=C(CCc4cc(OS(=O)(=O)O)ccc43)[C@@H]1CCC2=O 22055522 OCACCZZVDHCERC-WMZOPIPTSA-N 348.420 3.347 0 30 EGAC in-vitro S=C(NNCCc1nc2ccccc2[nH]1)Nc1ccccc1Cl 33876084 USYCZTOVTXPBEV-UHFFFAOYSA-N 345.859 3.250 0 30 EGAC COC(=O)c1sccc1OCc1nnc(-c2ccc(F)cc2)o1 4394821 GVZPQFISEONNOD-UHFFFAOYSA-N 334.328 3.303 0 30 EGAC O=S(=O)(Cc1noc(-c2ccc(Cl)cc2)n1)Cc1ccco1 4349387 HPJFSCRISBQBMV-UHFFFAOYSA-N 338.772 3.098 0 30 EGAC COC(=O)c1ccc2c(c1)CC[C@]1(CCCN(CC3CCC3)C1=O)C2 585164118 HTOVZKPAKKPPKF-OAQYLSRUSA-N 341.451 3.371 0 30 EGAC COCC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C 141197638 NGQAIONWGHJJGR-QGZVFWFLSA-N 334.460 3.144 0 30 EGAC CNC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1COC 141954 KOLRBMPOMYOXIG-UHFFFAOYSA-N 348.617 3.339 0 30 EGAC CC(=O)Oc1ccccc1CC(=O)c1cncc(Br)c1 299803421 PEINBKWOPIZVFP-UHFFFAOYSA-N 334.169 3.195 0 30 EGAC Cc1c(Br)ccc(OCCN2CCN(C)CC2)c1Cl 888084734 IXAYDHLEULOENW-UHFFFAOYSA-N 347.684 3.037 0 30 EGAC Cc1nc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)cs1 117928 HNOUMCRXNYTHDH-UHFFFAOYSA-N 348.428 3.361 0 30 EGAC FC(F)(F)c1ccncc1-c1nnnn1-c1ccccc1Cl 77787 WABZDKQVNHTBRK-UHFFFAOYSA-N 325.681 3.397 0 30 EGAC CCCCC1(CCc2cccc3ccccc23)C(=O)NC(=O)NC1=O 95855975 HKETYFGREMWWRT-UHFFFAOYSA-N 338.407 3.315 0 30 EGAC COCCCN1CN=C(SCc2ccc(Cl)cc2Cl)NC1 3138714 XVNQBAOWAJAILI-UHFFFAOYSA-N 348.299 3.439 0 30 EGAC COc1ccc(CCN2C(=O)[C@@H](C)S[C@@H]2c2cccnc2)cc1 101504 KCCLDVZVJRHRGO-FZKQIMNGSA-N 328.437 3.295 0 30 EGAC C[C@@H]1CN(c2ccc(NC(=S)NCc3ccco3)cc2)C[C@@H](C)O1 89170 IIDONZOYLIWLMU-ZIAGYGMSSA-N 345.468 3.380 0 30 EGAC O=C(CSc1nc2c(c(=O)[nH]1)CSC2)c1ccc(Cl)cc1 169266 OWWATDHYIFONTL-UHFFFAOYSA-N 338.841 3.145 0 30 EGAC COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 255966315 CBTCTPUAPDCTKT-RBUKOAKNSA-N 325.408 3.084 0 30 EGAC Nc1nc(N)c2c(OCc3ccc(C(F)(F)F)cc3)cccc2n1 172632 KMWVEFVCYFWEAK-UHFFFAOYSA-N 334.301 3.392 0 30 EGAC c1ccc(CSc2nncn2-c2ccc3c(c2)OCCO3)cc1 128283 WGTXXZXJFXGLRW-UHFFFAOYSA-N 325.393 3.331 0 30 EGAC Cc1onc(-c2ccccc2)c1CNC(=O)c1ccccc1C(=O)O 105503 VVBUGDISSCFBCE-UHFFFAOYSA-N 336.347 3.278 0 30 EGAC Clc1cccnc1-n1nc(Br)cc1Br 143037901 XHLGXCSAICVHNH-UHFFFAOYSA-N 337.402 3.446 0 30 EGAC Sc1nnc(Nc2ccc(I)cc2)s1 94006 DOYCMLBXDIOVCT-UHFFFAOYSA-N 335.195 3.175 0 30 EGAC NC(=O)CN[C@H]1CCC[C@@H]1c1ccc(OCc2ccccc2F)cc1 504375172 JKPDOKQWBDGWGR-MJGOQNOKSA-N 342.414 3.116 0 30 EGAC OCCN1CC[C@H](Cc2ccccc2)C[C@@H]1Cc1ccc(O)cc1 2265364199 ZCKAVMIJYNVXDK-UXHICEINSA-N 325.452 3.250 0 30 EGAC COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1c(C)noc1C)CC2 151267 IJDVNCUMHBFKGZ-NSHDSACASA-N 330.384 3.068 0 30 EGAC Nc1ccccc1SC[C@@H](O)COc1cccc(C(F)(F)F)n1 117319 ZNSCJKGULBHUGS-JTQLQIEISA-N 344.358 3.215 0 30 EGAC O=C(O)c1cccnc1Nc1cccc(I)c1 13090602 YHIXWSXMAJSUTN-UHFFFAOYSA-N 340.120 3.128 0 30 EGAC Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 119079 KUZBAZKNZWUAAE-UHFFFAOYSA-N 336.347 3.289 0 30 EGAC Cn1nccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 116737 LSZNCOREEUDORX-UHFFFAOYSA-N 340.619 3.181 0 30 EGAC COc1ccc2[nH]cc(C=C3C(=O)N(C)C(=O)c4ccccc43)c2c1 4089624 VJYKZKISDPWROR-UHFFFAOYSA-N 332.359 3.329 0 30 EGAC O=C(c1ccno1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 19835179 VJFYHGLKMJJZMT-UHFFFAOYSA-N 345.402 3.202 0 30 EGAC O=C1N=C(O)C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)N1 41599288 CEXQBPIXKYZJPB-UHFFFAOYSA-N 328.199 3.008 0 30 EGAC O=C(O)c1cccc2cccc([S@@](=O)c3ccccc3CO)c12 12339468 OPOVHZXRINWAGD-HSZRJFAPSA-N 326.373 3.197 0 30 EGAC O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 164738 FMLRPIWBPAFANU-UHFFFAOYSA-N 341.354 3.452 0 30 EGAC C[C@H]1CN(c2ccc(NC(=S)NCc3ccco3)cc2)C[C@@H](C)O1 13468257 IIDONZOYLIWLMU-OKILXGFUSA-N 345.468 3.380 0 30 EGAC CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(Br)cc1 95642308 NCPBCAHFYLOXPP-ZDUSSCGKSA-N 341.249 3.331 0 30 EGAC COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccc(F)cc1 116575 GGAVGZALKWCEGO-UHFFFAOYSA-N 348.330 3.274 0 30 EGAC CCOP(=O)(CN1CCN(Cc2ccccc2)CC1)OCC 22043281 CPQDHKDKVMESSV-UHFFFAOYSA-N 326.377 3.028 0 30 EGAC CC(C)(C)OC(=O)N[C@H]1CC(=O)CO[C@@H]1c1cc(F)c(F)cc1F 114658301 CMWIXZDVRJMOAE-UONOGXRCSA-N 345.317 3.028 0 30 EGAC CC(=O)Nc1ccc(OC(=O)c2cccc(C)c2OC(C)=O)cc1 44710311 REKMYSBXOKPKAW-UHFFFAOYSA-N 327.336 3.098 0 30 EGAC Cc1cc(C)c(C(=O)c2ccccc2)c(OC[C@H](O)CNC(C)C)c1 34064679 PROFREAHASWZMW-GOSISDBHSA-N 341.451 3.272 0 30 EGAC O=C(NC[C@@H]1C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 715264482 BBKBGSJZQUDYLA-YVEFUNNKSA-N 337.375 3.246 0 30 EGAC Cc1ccc2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)ccc2n1 158206 OQVPFMJZGIBMKV-HNNXBMFYSA-N 349.390 3.123 0 30 EGAC O=C(c1ccc(Cl)cc1)N1CCN(C(=O)C2CCCCC2)CC1 87404 VHTWCGVXQWUJSO-UHFFFAOYSA-N 334.847 3.205 0 30 EGAC O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 82225 LUFFIADXBVDRJZ-UHFFFAOYSA-N 329.709 3.437 0 30 EGAC O=C(Nc1ccccc1N1CCCCC1)C1=CCCC[C@H]1C(=O)O 153054 TXFIHWNQICKWKX-OAHLLOKOSA-N 328.412 3.427 0 30 EGAC COc1ccccc1NC(=O)Nc1ccccc1N1CCOCC1 153630 QGJDTROMWFRWOM-UHFFFAOYSA-N 327.384 3.176 0 30 EGAC Cc1noc(C)c1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1 111700 HWTHBLJLRSLFQW-UHFFFAOYSA-N 348.349 3.305 0 30 EGAC O=C(C1CCCC1)N1CCN(c2nc(Cl)c3ccccc3n2)CC1 1535645190 SHCOHPKIRMKQOO-UHFFFAOYSA-N 344.846 3.122 0 30 EGAC COc1ccccc1NC(=O)Nc1nn(C)c2cccc(OC)c12 147646 JTBMRDKIPGSWTG-UHFFFAOYSA-N 326.356 3.235 0 30 EGAC in-vitro CCCCc1nnnn1Cc1ccc(-c2ccccc2C(=O)O)cc1 3651277 XGAJCHJIFNVEPB-UHFFFAOYSA-N 336.395 3.429 0 30 EGAC CCN(CC)C(=O)CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12 1366179 OOLLHHAARFZPLM-UHFFFAOYSA-N 349.847 3.120 0 30 EGAC CN(C)CC(=O)c1ccc2oc3ccc(C(=O)CN(C)C)cc3c2c1 4392757 BOVBIKZEYCNNDU-UHFFFAOYSA-N 338.407 3.075 0 30 EGAC COC(=O)c1sc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 118182 FOOSOSNYXPOSGA-UHFFFAOYSA-N 349.792 3.128 0 30 EGAC Cc1ccc(Oc2ncccc2C(=O)NC(=O)c2ccccc2O)cc1 157018 CXPQGIPRANGQFN-UHFFFAOYSA-N 348.358 3.458 0 30 EGAC O=C(Nc1ccc2c(c1)OC[C@H]1CCCN21)C1=Cc2ccccc2OC1 131487 BRXCTPUPFBQDDV-QGZVFWFLSA-N 348.402 3.462 0 30 EGAC Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1C 4332835 SQOYFLNTIDRUEF-UHFFFAOYSA-N 346.452 3.114 0 30 EGAC NC(=O)CN[C@@H]1CCC[C@@H]1c1ccc(OCc2ccccc2F)cc1 504375171 JKPDOKQWBDGWGR-IEBWSBKVSA-N 342.414 3.116 0 30 EGAC CN1CCC([C@]2(O)c3ccccc3CC(=O)c3sccc32)CC1 77300549 LZPRFURMCOCGDP-IBGZPJMESA-N 327.449 3.065 0 30 EGAC in-vitro CON=CC(C(=O)Nc1cccc(C)c1)C(=O)Nc1cccc(C)c1 254404286 PPVKCVLCEDLRBD-UHFFFAOYSA-N 339.395 3.129 0 30 EGAC CC[Sn](CC)(c1ccccc1)c1ccccc1 195765282 BTMSMSMZBPEFLD-UHFFFAOYSA-N 331.047 3.289 0 30 EGAC O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccccc1 131222 UNPTZRLLKBIVNG-UHFFFAOYSA-N 336.463 3.350 0 30 EGAC Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1 157308 KTIXPJNQNDXBFM-UHFFFAOYSA-N 327.409 3.196 0 30 EGAC O=C(OCc1ccccc1)N1CC=C(I)CC1 95761471 IKXYTEZIKFWGPW-UHFFFAOYSA-N 343.164 3.348 0 30 EGAC Cc1nn(Cc2nnc(-c3cccs3)o2)c(C)c1Br 125973 POQLZHQQCADLJZ-UHFFFAOYSA-N 339.218 3.422 0 30 EGAC COC(=O)C(Cc1ccc(F)cc1)(Cc1ccc(F)cc1)C(C)=O 115788 GFHUVRRZQOZEHX-UHFFFAOYSA-N 332.346 3.498 0 30 EGAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)NC2=O 91352943 TYRGQUWQTXOLKR-HNNXBMFYSA-N 330.428 3.265 0 30 EGAC COc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Br)c1O 146676 RUSZBSPNLHIUQX-CQSZACIVSA-N 349.184 3.017 0 30 EGAC CN1CCC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)C1 11682210 LCFBCKSQWVQIBY-ICSRJNTNSA-N 331.456 3.092 0 30 EGAC in-man CCCCCCCC[C@H](C/C=C/[C@H](CC=O)C(=O)O)NCC(=O)O 238790354 YHPBPZGMCOXTPK-GUFYHEMZSA-N 341.448 3.016 0 30 EGAC COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)[C@H](C)[C@H]21 14930659 GWIIAEUJSONJQC-JEOXALJRSA-N 341.407 3.332 0 30 EGAC biogenic Cc1nn(C)c2c1CN(C(=O)c1ccccc1)C1(CCCCC1)CO2 1616057377 HHEKDZWFSAFAFP-UHFFFAOYSA-N 339.439 3.466 0 30 EGAC O=C(N=c1nc(-c2ccccn2)[nH]n1-c1ccccc1)c1ccccc1 2265364230 MYDLIQKIWKSVKQ-UHFFFAOYSA-N 341.374 3.004 0 30 EGAC COc1ccc2c(c1)C(=O)c1c(O)c(OC)c(OC)c3ccnc-2c13 13432682 HVXLZTVOIBKOPD-UHFFFAOYSA-N 337.331 3.178 0 30 EGAC biogenic Oc1ccc2c(c1)[C@@]13CCCC[C@]1(O)[C@@H](C2)N(CC1CCC1)CC3 3830349 IFKLAQQSCNILHL-HKBOAZHASA-N 327.468 3.366 0 30 EGAC in-vitro Cc1cc(-c2cc(C)c(OCCO)c(C)c2)cc(C)c1OCCO 96346799 VODQFVIJDWQBDM-UHFFFAOYSA-N 330.424 3.329 0 30 EGAC CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1 146046 KKIGJNCMAMFHET-UHFFFAOYSA-N 336.407 3.203 0 30 EGAC Cc1c(C(=O)N(C)C2CCN(C)CC2)cnn1-c1ccc(Cl)cc1 147253 YQVYOHSCPLWRER-UHFFFAOYSA-N 346.862 3.000 0 30 EGAC Cc1cc(NC(=O)NC[C@@H](O)c2ccccc2)c(C(F)(F)F)o1 152418 XLBWFVBQDVLPHY-GFCCVEGCSA-N 328.290 3.462 0 30 EGAC O=C(O)CCCOc1cc(Br)cc(Br)c1 498045440 SCPBAXIWNAWULX-UHFFFAOYSA-N 337.995 3.455 0 30 EGAC C#CCCCn1cnc(=N)c2[nH]c(Sc3ccc(C)cc3C)nc21 95921117 GPYXPUQPGWULJH-UHFFFAOYSA-N 337.452 3.420 0 30 EGAC COc1ccc(-c2nnsc2N2C(=O)c3ccccc3C2=O)cc1 158035 RDRIHQUQFOEANB-UHFFFAOYSA-N 337.360 3.014 0 30 EGAC CC1(C)OC2=C(C[C@H]3C=C(c4cc(O)cc(O)c4)OC3=C2)C[C@@H]1O 5963912 OXSJQIXSXQJWOZ-YPMLDQLKSA-N 328.364 3.187 0 30 EGAC CC(C)=CCC(=O)[C@]1(O)C(O)=C(C(=O)C(C)C)C(=O)[C@@H]1CC=C(C)C 5114368 KKXFYHZSOIALRM-XOBRGWDASA-N 348.439 3.235 0 30 EGAC biogenic O=C(CN1C(=O)c2ccccc2C1=O)c1cccc(C(F)(F)F)c1 93147 LTHBVWZPOWCAEO-UHFFFAOYSA-N 333.265 3.184 0 30 EGAC O=C(c1cccs1)N1CCN(c2ncccc2C(F)(F)F)CC1 19924637 JNODKTMLGWTJTL-UHFFFAOYSA-N 341.358 3.124 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccccc2)C[C@@H]1N 71791416 CSXFKPWYLDEBEW-JKSUJKDBSA-N 348.443 3.052 0 30 EGAC CC(C)(C)OC(=O)NCC1(c2ccc(Br)cc2)COC1 238853078 IHGNVKKBXUGWFC-UHFFFAOYSA-N 342.233 3.242 0 30 EGAC O=C(O)CCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 109559 YBHLQIFTUNFVDM-HNNXBMFYSA-N 340.301 3.021 0 30 EGAC CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2N)CC1 90635885 YOGBQULWEWUHMD-UHFFFAOYSA-N 345.365 3.345 0 30 EGAC Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccn2)CC1 154111 CZFTXWBABZSHJI-UHFFFAOYSA-N 348.406 3.007 0 30 EGAC N#CC(=Cc1c[nH]nc1-c1ccccc1)S(=O)(=O)c1ccccc1 4002900 INPBEHSPAQVCGH-UHFFFAOYSA-N 335.388 3.415 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@@]12CCN(Cc1ccccc1)C2=O 79034730 WVBDDJUWJBJCCC-IBGZPJMESA-N 330.428 3.189 0 30 EGAC Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cccs1 105524 LQYYCYGWVQGCTE-UHFFFAOYSA-N 334.422 3.190 0 30 EGAC CCOC(=O)CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 72233041 XZGKCDPUTRVPAH-UHFFFAOYSA-N 329.240 3.377 0 30 EGAC O=C(O)c1ccc(SSc2ccc(C(=O)O)c(O)c2)cc1O 38648190 RYKHFZFTJQLJOZ-UHFFFAOYSA-N 338.362 3.294 0 30 EGAC COc1cccc(OC)c1-c1cc(C(=O)O)nn1-c1ccc(F)cc1 498045696 YXZZFYTZKLINTK-UHFFFAOYSA-N 342.326 3.394 0 30 EGAC COc1cccc(SCC(=O)NCCSCc2ccco2)c1 4364809 CDGLPVHXOWWRTK-UHFFFAOYSA-N 337.466 3.430 0 30 EGAC O=C(O)c1ccccc1[S@@](=O)c1cccc2cccc(CO)c12 4300974 HDOYWJCRKIAWOZ-QHCPKHFHSA-N 326.373 3.197 0 30 EGAC O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2C[C@@H]12 725240383 ASRYHUYFNSHKKU-SCTDSRPQSA-N 349.386 3.340 0 30 EGAC O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CCO2 157660 BBNUOGDJLUKEMA-UHFFFAOYSA-N 343.326 3.441 0 30 EGAC CCN(CC)CCN1C(=O)N[C@@](CC(C)C)(C2CCCCC2)C1=O 1855009 VFITYAAFZRSYLV-IBGZPJMESA-N 337.508 3.245 0 30 EGAC NC(=S)c1sccc1CS(=O)(=O)c1ccc(Cl)cc1 107633 OPYFPTKCGROBSE-UHFFFAOYSA-N 331.871 3.010 0 30 EGAC CCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N(C)C 111900946 LCZPOZSSUMKXJZ-INIZCTEOSA-N 328.497 3.428 0 30 EGAC CC[C@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40914223 LBWQSAZEYIZZCE-JTQLQIEISA-N 340.431 3.331 0 30 EGAC CCOC(=O)C(C(=O)OCC)=C(Nc1ccc(Cl)cc1)SC 3078906 IXQHPGGUWUFWSE-UHFFFAOYSA-N 343.832 3.453 0 30 EGAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@H]2CCC[C@@H]2OS1(=O)=O 2265351927 NZNNFKFJVOJIOO-CAEXGNQWSA-N 345.461 3.082 0 30 EGAC O[C@H](CN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 118439 AKFFNUJUESASEM-GOSISDBHSA-N 331.843 3.357 0 30 EGAC O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2cccc2)CC1 42782926 VYAAFUFIQNJIHC-UHFFFAOYSA-N 338.860 3.242 0 30 EGAC Cc1oc2ccc3c(C)cc(=O)oc3c2c1NC(=O)CN1CCCC1 33872550 KSPYGKUELNSFPY-UHFFFAOYSA-N 340.379 3.190 0 30 EGAC Cc1ccc([C@@H](NC(=O)c2cccnc2)n2nnc3ccccc32)cc1 238790204 JTCDCIWTBNDKFW-IBGZPJMESA-N 343.390 3.112 0 30 EGAC COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)[C@H]2C=NO)cc1 254850287 VTMLBBUGMXWNSA-QGZVFWFLSA-N 326.327 3.093 0 30 EGAC CNC(=S)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 95853 FIGKHLTWGJOGCV-UHFFFAOYSA-N 346.886 3.151 0 30 EGAC CCOC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccc(Cl)cc12 1366180 GZAIQNHERYRAOX-SSDOTTSWSA-N 336.804 3.203 0 30 EGAC Nc1cc2c(Nc3ccc(F)cc3)ncnc2cc1O[C@H]1CCOC1 504428751 DCBBEFYNODKZDK-ZDUSSCGKSA-N 340.358 3.262 0 30 EGAC O[C@@]1(c2ccc(Cl)cc2Cl)Cc2ccccc2C2=NCCN21 27860435 MRYHNERJCXUYSM-QGZVFWFLSA-N 333.218 3.457 0 30 EGAC OC1=NN=C[C@H]1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 100241881 QZDZQIYELLEFNC-SECBINFHSA-N 344.362 3.344 0 30 EGAC CC(=O)[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 100044670 WTRHKEHRZMLLDH-AMGRQBIBSA-N 326.312 3.275 0 30 EGAC O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 158022 PYKFWFWJYHDRGK-CYBMUJFWSA-N 346.789 3.466 0 30 EGAC C/C=C(\C)C(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2160398 HHNCJFKRMZDTHW-WQRDJFRPSA-N 328.364 3.385 0 30 EGAC biogenic,in-vitro CCCCCC/C=C\CCCC(=O)CCON[C@H]1CCOC1=O 238791458 FPFFWSGEXNMLNJ-QWPQOLDESA-N 325.449 3.479 0 30 EGAC C[C@@H]1CC[C@H]2C(=O)N(c3ccc(-c4csnn4)cc3)C(=O)[C@@H]2C1 100382585 LWUULWQUPCWGFM-LERXQTSPSA-N 327.409 3.131 0 30 EGAC CCCS(=O)(=O)Cc1nnc(-c2cc(Cl)cc(Cl)c2)o1 120522 PNNOUGPQAFIYMU-UHFFFAOYSA-N 335.212 3.368 0 30 EGAC CCCC[C@@]1(CCN2CCCCC2)C(=O)N(Cl)C(=O)N=C1O 96341683 SPTPSKGIITUQST-HNNXBMFYSA-N 329.828 3.112 0 30 EGAC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\NC(N)=O 13467057 YQFYQKHUSBMOSC-DRSTUHCPSA-N 345.487 3.334 0 30 EGAC C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\NC(=N)N)CC[C@@]43C)[C@@H]1CC[C@@H]2O 38811131 ZFDRLWNSYJCHAO-GROMBPKSSA-N 344.503 3.149 0 30 EGAC COc1ccc(COc2ccc(I)cn2)cc1 72233051 VRUVYKSDHWKKHO-UHFFFAOYSA-N 341.148 3.274 0 30 EGAC Cc1cc(C)cc(N2C(=O)C[C@@H](Sc3ccccc3N)C2=O)c1 103795 YIDSGQKNGGJKSR-MRXNPFEDSA-N 326.421 3.310 0 30 EGAC CC(=O)N1CCC(C(=O)Nc2nc3ccc(Cl)cc3s2)CC1 105559 BRCCGVUNHKOKNB-UHFFFAOYSA-N 337.832 3.147 0 30 EGAC CN(C)c1ccc(NC(=O)C[C@@H](CC(=O)O)c2ccccc2)cc1 152776 RYBRBOYMNZGHQX-HNNXBMFYSA-N 326.396 3.340 0 30 EGAC COC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 143514 YJQRTYROUDNDFM-UHFFFAOYSA-N 348.811 3.253 0 30 EGAC Cc1cc(=O)oc2cc(NC(=O)CC3(CC(=O)O)CCCC3)ccc12 153912 FKJULBQDFDWHLU-UHFFFAOYSA-N 343.379 3.465 0 30 EGAC CCN(CC)C(=O)Sc1nc2ccccc2c(=O)n1CC1CC1 89934 FAZXFYCUOUVTBO-UHFFFAOYSA-N 331.441 3.360 0 30 EGAC CCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O 111906431 CBQMBRMHGPGYES-UHFFFAOYSA-O 329.505 3.185 0 30 EGAC O=C(C1CCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 171614 LQMPHJLROVSMNQ-UHFFFAOYSA-N 329.831 3.337 0 30 EGAC O=c1c(Cl)c(-n2cccn2)cnn1-c1ccc(Cl)cc1Cl 131850 CAYWJAFZPCUJSN-UHFFFAOYSA-N 341.585 3.378 0 30 EGAC CC(=O)ON=C1C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 254765572 SUBVCYAJZNNWOH-UHFFFAOYSA-N 328.755 3.154 0 30 EGAC CCc1ccc(N2C(=O)C[C@@H](Sc3ccccc3N)C2=O)cc1 100300574 FIQAPNFFUSUQJG-MRXNPFEDSA-N 326.421 3.255 0 30 EGAC CC(C)c1cnc(Cl)nc1N1CCN(C(=O)OC(C)(C)C)CC1 1535645350 ZEFUCLUOYUALSZ-UHFFFAOYSA-N 340.855 3.311 0 30 EGAC CCOC(=O)c1cc(C(=O)Nc2ccc(OCC)cc2)ccc1O 3602575 NDSDEHICPAGUDL-UHFFFAOYSA-N 329.352 3.220 0 30 EGAC O=C(Nc1ccc2nsnc2c1)c1cccc2c1OCCCO2 12340851 ASGXAZSBZISRCU-UHFFFAOYSA-N 327.365 3.105 0 30 EGAC COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1OC)c1ccccc1 14683353 AXECLQCTVWREBZ-FBMGVBCBSA-N 336.343 3.185 0 30 EGAC COc1ccc2c(c1)-c1c(OC)c(OC)cc3c1[C@H](C2=O)N(C)CC3 101103219 NZCXSMMAVUXISH-GOSISDBHSA-N 339.391 3.105 0 30 EGAC COc1cccc(CNC(=O)c2cnc(OC)cc2C(F)(F)F)c1 77735 LBNSJGGTUZHOEL-UHFFFAOYSA-N 340.301 3.048 0 30 EGAC CCOC(=O)C1=NN(c2ccccc2C(F)(F)F)[C@@H](OCC)C1 95348110 CCBYECVICVYDAQ-ZDUSSCGKSA-N 330.306 3.197 0 30 EGAC in-vitro CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1c1cccc(Br)c1 536954607 WFAZICBXBANFPD-OLZOCXBDSA-N 341.249 3.458 0 30 EGAC COC(=O)c1sccc1NS(=O)(=O)c1cc(C)c(F)c(C)c1 140616 OINFODSKVDZJMW-UHFFFAOYSA-N 343.401 3.091 0 30 EGAC Cc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(Cl)cc1Cl 141390 FUWNAYVBKGTDQD-UHFFFAOYSA-N 348.255 3.453 0 30 EGAC O=S(=O)(c1cccc2cccnc12)N1CCC(n2cccc2)CC1 118267 RYZWGJJTCJYEMZ-UHFFFAOYSA-N 341.436 3.062 0 30 EGAC Cc1c(C)c(C)c(S(=O)(=O)NCCc2ccncc2)c(C)c1C 139563 BALFRIOEUYSOLF-UHFFFAOYSA-N 332.469 3.145 0 30 EGAC Cc1cccc(Cl)c1NC(=S)NCCNC(=O)OC(C)(C)C 3078790 KEXXLJAYHLKLET-UHFFFAOYSA-N 343.880 3.460 0 30 EGAC OC1CCN(CC2CCN(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)CC2)CC1 2265298479 YUBKDPOCUHUSLW-GUERRHKQSA-N 346.559 3.372 0 30 EGAC COc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Br)c1O 146674 RUSZBSPNLHIUQX-AWEZNQCLSA-N 349.184 3.017 0 30 EGAC O=C(O)CCCC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 151724 PVHMMTDQWNVSNQ-UHFFFAOYSA-N 341.289 3.085 0 30 EGAC O=C(NCc1ccc2c(c1)OCO2)c1sccc1Br 147417 QRGBIDQUYNECGM-UHFFFAOYSA-N 340.198 3.169 0 30 EGAC COc1ccc(NS(=O)(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2265271922 HWCMTCIQLFGVGA-UHFFFAOYSA-N 349.408 3.125 0 30 EGAC Cn1c(CNC(=O)c2cccs2)nnc1SCc1ccccc1 171514 WOLXFGRDACMLPK-UHFFFAOYSA-N 344.465 3.099 0 30 EGAC O=C1c2nc3cc(-c4ccccc4)nn3c(O)c2CN1C1CCCCC1 8637156 XEMRJHAJMKTZQZ-UHFFFAOYSA-N 348.406 3.390 0 30 EGAC COc1ccccc1NC(=O)Nc1nn(C)c2cccc(N(C)C)c12 152564 BZGVSJFWIFAMPD-UHFFFAOYSA-N 339.399 3.292 0 30 EGAC CC(=O)N(C(C)=O)c1nccc(-c2c(-c3ccccc3)noc2C)n1 124087 RUWFAPJMEXSZTJ-UHFFFAOYSA-N 336.351 3.006 0 30 EGAC CC[C@@H]1N(CC)COC12CCN([C@@H]1CCc3ccccc3C1)CC2 33755856 JTNZLQZXOOINRG-UXHICEINSA-N 328.500 3.467 0 30 EGAC CC(C)(C)OC(=O)N[C@H](CN)c1cc(F)cc(Br)c1 698263901 SZLPUUOTBSUOAL-LLVKDONJSA-N 333.201 3.113 0 30 EGAC CCOC(=O)c1ccccc1N/C=C/c1nnnn1-c1ccc(C)cc1 100222671 VQJJUPRLCJPEEZ-OUKQBFOZSA-N 349.394 3.230 0 30 EGAC O=C(NCc1ccc(Cl)cc1)c1cc(=O)c2c(O)cccc2o1 13558844 WGJKPSDANGKFMV-UHFFFAOYSA-N 329.739 3.082 0 30 EGAC Cc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)cc1 105513 FSSWHIRKCWZLKL-UHFFFAOYSA-N 342.420 3.437 0 30 EGAC Oc1nc(SCc2c(Cl)cccc2Cl)nc2ccnn12 80552 FGWDLUIRUMDJKM-UHFFFAOYSA-N 327.196 3.429 0 30 EGAC CCOC(=O)[C@H]1C(=O)N(CC)[C@@]23CCCC[C@H]2[C@H]1c1ccccc1O3 252427702 CMWSRXJFTGYKQA-CNVJLJKISA-N 343.423 3.091 0 30 EGAC COC(=O)c1cscc1NC(=O)C[C@H](CC(=O)O)c1ccccc1 152819 UJOHJOGUOWCXRB-GFCCVEGCSA-N 347.392 3.122 0 30 EGAC CC(C)(C)OC(=O)NC1CCN(C(=O)c2c(F)cccc2F)CC1 128719 FUHRYMYACUMLMA-UHFFFAOYSA-N 340.370 3.094 0 30 EGAC O=C(O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2ccccc12 102613 TVYOKNWXMASGLS-UHFFFAOYSA-N 334.253 3.103 0 30 EGAC NN=C(c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl 254592973 IBCIESJDAALVFR-UHFFFAOYSA-N 344.680 3.373 0 30 EGAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2265351370 GKEOVXGMIWMMQG-HOVJPEJWSA-N 347.499 3.074 0 30 EGAC O=C1CS[C@H](c2cccnc2)N1c1ccc(-c2csnn2)cc1 106699 PAGFOIJDSURXGC-MRXNPFEDSA-N 340.433 3.379 0 30 EGAC CC(C)(C)NC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 19924956 CGQSWYPTWHVRIR-UHFFFAOYSA-N 344.381 3.121 0 30 EGAC COC(=O)[C@H](/C=C/c1ccccc1)NC(=O)OCc1ccccc1 39131357 CTOOBLYVJNONKZ-UJGDBWEASA-N 325.364 3.168 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@]1(COCc1ccccc1)C(=O)O 114428788 GDEBINCKVAQTKX-SFHVURJKSA-N 335.400 3.058 0 30 EGAC CCOC(=O)Cc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1 38894460 WTMNAWSWKXAXHY-UHFFFAOYSA-N 346.427 3.341 0 30 EGAC CCN1/C(=C2/CN(CC(=O)O)C(=S)S2)Sc2ccccc21 111415145 XKQSJDQRKZUQFR-ACCUITESSA-N 338.479 3.206 0 30 EGAC CCN(CC)CCN1C(=O)N[C@](CC(C)C)(C2CCCCC2)C1=O 1855010 VFITYAAFZRSYLV-LJQANCHMSA-N 337.508 3.245 0 30 EGAC c1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)cc1 19722223 JQVHUCOVOKFURZ-UHFFFAOYSA-N 332.451 3.395 0 30 EGAC CC(=NO)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 254413789 BZYBVEXQKZBCRX-QMMMGPOBSA-N 336.701 3.161 0 30 EGAC CC(C)(C)OC(=O)N1CCC(c2ncc(Br)cn2)CC1 238077406 UIDYGYFDXWZJPC-UHFFFAOYSA-N 342.237 3.354 0 30 EGAC COc1ccc2c(C(=O)c3ccc(F)cc3)c(C)n(CC(=O)O)c2c1 2013239 NSNZBVZOKLXXFU-UHFFFAOYSA-N 341.338 3.413 0 30 EGAC CCc1ccc(-n2nnnc2/C=C/Nc2ccccc2C(=O)O)cc1 4336636 RVZLECIVNKLXRP-VAWYXSNFSA-N 335.367 3.006 0 30 EGAC NC(=O)c1cccc2c1NC(=O)C2(c1ccccc1)c1ccccc1 5850497 KYEFTLVKORUXBZ-UHFFFAOYSA-N 328.371 3.072 0 30 EGAC O=C(O)[C@@H](Cc1ccnc2ccccc12)C(=O)OCc1ccccc1 238730492 BOBHRHQCEKNERT-QGZVFWFLSA-N 335.359 3.222 0 30 EGAC O[C@@H](CN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 118442 AKFFNUJUESASEM-SFHVURJKSA-N 331.843 3.357 0 30 EGAC Ic1ccc(-c2cn3cnsc3n2)cc1 39325870 HCAOGSQLSLAQII-UHFFFAOYSA-N 327.150 3.062 0 30 EGAC OC1=NN=C[C@@H]1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 100241882 QZDZQIYELLEFNC-VIFPVBQESA-N 344.362 3.344 0 30 EGAC CN(C)/C=C1\N=C(c2cccnc2Oc2ccc(Cl)cc2)OC1=O 132028 ROVLKLLVKDAQDC-UVTDQMKNSA-N 343.770 3.234 0 30 EGAC Cc1nnc(NC(=O)c2ccccc2NC(=O)c2ccccc2)s1 144065 MPIHMAKVBBUTFD-UHFFFAOYSA-N 338.392 3.351 0 30 EGAC COc1ccc(-n2ncc(C(=O)NCc3sccc3C)c2C)cc1 148055 VMBOQDNQFDAWJN-UHFFFAOYSA-N 341.436 3.489 0 30 EGAC CCOC(=O)[C@@H](CC)Sc1nnc2c3cc(C)ccc3n(C)c2n1 1366113 MOSLYWPZBKDZKW-CYBMUJFWSA-N 344.440 3.259 0 30 EGAC O=C(Nc1ccc(S(=O)(=O)O)cc1)c1cc2ccccc2cc1O 6118756 YRMKHCQEIHHYEE-UHFFFAOYSA-N 343.360 3.044 0 30 EGAC COC(OC)c1cc(=O)[nH]c(SCc2ccc(Cl)cc2)n1 13469784 VUURKYDRABBXNZ-UHFFFAOYSA-N 326.805 3.007 0 30 EGAC N[C@@H]1CCC2(C1)CN(c1ncnc3sc(CC(F)(F)F)cc13)C2 2114851034 QZOLXQZVNINBQA-SECBINFHSA-N 342.390 3.114 0 30 EGAC COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1F 607716121 ZEVDYTDZOOPMLY-OLZOCXBDSA-N 341.354 3.088 0 30 EGAC COc1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1 122477 TVOIXDPLSHVISC-UHFFFAOYSA-N 330.369 3.071 0 30 EGAC O=C(c1cccc(Cl)c1)[C@@H](O)Nc1ccc2cccnc2c1O 3610314 VDQQYEICLSMFHC-QGZVFWFLSA-N 328.755 3.207 0 30 EGAC O=C(NCc1nc2ccccc2s1)c1cc(F)cc2c1OCOC2 130128 QSRRHUWAYKGART-UHFFFAOYSA-N 344.367 3.232 0 30 EGAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1cc(F)ccc1O2 95616885 SDYZNABTFSHQNC-CQSZACIVSA-N 336.407 3.378 0 30 EGAC Nc1ccc(Nc2ccc(O)cc2)c2cc(S(=O)(=O)O)ccc12 5161938 WMMPQNHKEHRMSH-UHFFFAOYSA-N 330.365 3.118 0 30 EGAC C[C@H](Cl)C(=O)ON=C1C(=O)N(c2ccccc2)c2ccccc21 254840520 CNTWYKFJBJYCOD-NSHDSACASA-N 328.755 3.240 0 30 EGAC Nc1nc(OCc2ccccc2)c2c(ncn2Cc2ccccc2)n1 95933192 ZNVQFYXIYWGAJR-UHFFFAOYSA-N 331.379 3.036 0 30 EGAC COC(=O)c1ccccc1[S@@](=O)c1cccc2cccc(CO)c12 133984 NTCISUKNXXTFNW-DEOSSOPVSA-N 340.400 3.285 0 30 EGAC O=C(O)[C@@H]1CCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c21 160067 ONTZFEFKVQPEFY-SECBINFHSA-N 344.417 3.224 0 30 EGAC N=C(N)NCCCCCCCCCCCCCCCCNC(=N)N 5178629 VJKDNPJAEKEOSN-UHFFFAOYSA-N 340.560 3.414 0 30 EGAC COC(=O)CCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21 143730803 RCUMIFKQDMYHJV-UHFFFAOYSA-N 343.404 3.037 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@H](n2cnc3c(Cl)ncnc32)C1 38579998 IFLORXMUQDSOBC-JTQLQIEISA-N 337.811 3.052 0 30 EGAC CN(C)c1ccc(-n2nnnc2SCc2cc(F)cc(F)c2)cc1 118418 QKDBEHZIJDTROF-UHFFFAOYSA-N 347.394 3.299 0 30 EGAC COc1ccc(CCN2C(=O)[C@H](C)S[C@H]2c2cccnc2)cc1 101508 KCCLDVZVJRHRGO-UGSOOPFHSA-N 328.437 3.295 0 30 EGAC COc1ccc2[nH]cc(CCNC[C@@H]3COc4ccccc4O3)c2c1 33903333 RAHWBHSCAILHCG-MRXNPFEDSA-N 338.407 3.149 0 30 EGAC CCOC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)C(=O)OC3)c1 147115 QQYZOZVOIQCDOD-UHFFFAOYSA-N 340.335 3.178 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(CCc2cccnc2)no1 80272558 SRJDMOLPIZVSAT-AWEZNQCLSA-N 344.415 3.322 0 30 EGAC COc1ccc(CCN2C(=O)[C@H](C)S[C@@H]2c2cccnc2)cc1 101499 KCCLDVZVJRHRGO-SCLBCKFNSA-N 328.437 3.295 0 30 EGAC COC(=O)c1sccc1OCc1nnc(-c2ccc(C)cc2)o1 127435 YMBPOEMBXYXKOS-UHFFFAOYSA-N 330.365 3.472 0 30 EGAC COC(=O)c1cc(-c2cnn3cc(Br)cnc23)cs1 1774020970 XGDVBPREVMYZBQ-UHFFFAOYSA-N 338.186 3.007 0 30 EGAC CCOC(=O)C1=C(C)N(C(C)=O)C(SC)=N[C@@H]1c1ccccc1 173823 GENNDLFXLZYIDA-OAHLLOKOSA-N 332.425 3.146 0 30 EGAC COc1ccc(=O)n(CC(=O)c2ccc(C3CCCCC3)cc2)n1 188108286 ZJVSNYXIIADHRN-UHFFFAOYSA-N 326.396 3.183 0 30 EGAC CCCCN(CCCC)C(=O)[C@H]1CCC(=O)N1C(=O)c1ccccc1 5821182 ZASBADBZECAFKT-QGZVFWFLSA-N 344.455 3.247 0 30 EGAC COc1ccc(CCN2C(=O)[C@@H](C)S[C@H]2c2cccnc2)cc1 101515 KCCLDVZVJRHRGO-ACJLOTCBSA-N 328.437 3.295 0 30 EGAC NCc1cc(Br)c(Br)cc1Br 146635935 CSZDXIIGFVDENK-UHFFFAOYSA-N 343.844 3.433 0 30 EGAC Cc1ccc(-c2nc3ccc(Cl)nc3n2CC(=O)N(C)C)cc1 11550 WWGZKSUTVBDCEW-UHFFFAOYSA-N 328.803 3.148 0 30 EGAC Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccc2c(c1)OCO2 147395 NZPSGNGJNBMLLG-UHFFFAOYSA-N 338.285 3.068 0 30 EGAC Cc1cc(-c2nnc(SCC(=O)c3ccccc3Cl)n2C)no1 126870 NAXMADHJNQDIGT-UHFFFAOYSA-N 348.815 3.407 0 30 EGAC CCOC(=O)c1cc(C)nc(Sc2ccc(NC(C)=O)cc2)n1 126879 RKIHPKZDIVQVGI-UHFFFAOYSA-N 331.397 3.071 0 30 EGAC CCOC(=O)C[C@@](O)(c1c(C)n(C)c2ccccc12)C(F)(F)F 142783155 WDEAFROMUJDJSO-OAHLLOKOSA-N 329.318 3.190 0 30 EGAC NC(=O)CN[C@H]1CCC[C@@H]1c1cccc(OCc2ccccc2F)c1 504753629 TZMWRNRFGMZOCS-MJGOQNOKSA-N 342.414 3.116 0 30 EGAC Cc1cc(C)n2nc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)cc2n1 38805333 KINSSIGZOGCUEM-VIFPVBQESA-N 341.440 3.180 0 30 EGAC Cc1ccc(NC(=O)CSC[C@H](O)C(F)(F)F)c(Cl)c1 4389324 HFMUELRRFDASAE-JTQLQIEISA-N 327.755 3.243 0 30 EGAC CC(C)(C)OC(=O)N1CCN(c2nc(C(F)(F)F)cs2)CC1 40435112 HBSIREDCBDRXAZ-UHFFFAOYSA-N 337.367 3.219 0 30 EGAC CC(C)(C)OC(=O)N1CC(Cc2ccc(Cl)s2)(C(=O)O)C1 398976903 BVCOJTXZPULAPA-UHFFFAOYSA-N 331.821 3.266 0 30 EGAC O=C(O)CSc1nncn1-c1ccc(C2CC2)c2ccccc12 201167323 RQKGPEVPDVPLDT-UHFFFAOYSA-N 325.393 3.475 0 30 EGAC O=C(NCc1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 147420 VYKCMSAQIZCEDY-UHFFFAOYSA-N 339.269 3.244 0 30 EGAC O[C@]1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C2=NCCN21 27876281 ALWSRDVAPSKHSV-KRWDZBQOSA-N 333.218 3.457 0 30 EGAC CCOc1ccc(C=CC(=O)N2CCN(c3ccccc3)CC2)cc1 2265279679 SEVUACODFQYOLK-UHFFFAOYSA-N 336.435 3.447 0 30 EGAC CC(C)(C)OC(=O)N1CC(NCc2ccc(C(F)(F)F)cc2)C1 221629043 GEONKEFMAMXRRA-UHFFFAOYSA-N 330.350 3.414 0 30 EGAC COC(=O)C1=CO[C@@H](C)[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12 5752292 WYTGDNHDOZPMIW-MAZHCROVSA-N 348.402 3.405 0 30 EGAC O=C(Nc1cc(Cl)ccc1O)c1ccccc1CN1CCOCC1 20413033 HDAGPLPDIMPMIG-UHFFFAOYSA-N 346.814 3.130 0 30 EGAC Oc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1 171494 PTSYNDMZDYIDCW-UHFFFAOYSA-N 336.779 3.453 0 30 EGAC COC(=O)c1sc(-c2cccs2)cc1NC(=O)CCC(=O)O 119314 OOXNTNQHHKBNMZ-UHFFFAOYSA-N 339.394 3.067 0 30 EGAC C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 96030127 HQTALZCXADTAOJ-BFHWMLFZSA-N 334.500 3.422 0 30 EGAC CCOC(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1NC(C)=O 76105 SGXOKIOOYIAURK-UHFFFAOYSA-N 337.445 3.385 0 30 EGAC CN(CCCC(=O)CCC1OCCCO1)C(=O)OCc1ccccc1 218839833 XOZMJKWSJAVHIM-UHFFFAOYSA-N 349.427 3.148 0 30 EGAC C[C@H](N)c1cc(I)ccc1Br 229297819 PHHDQEIEZFMDGX-YFKPBYRVSA-N 325.975 3.073 0 30 EGAC CC1(C)OC2=C(C[C@@H]3C=C(c4cc(O)cc(O)c4)OC3=C2)C[C@H]1O 5963846 OXSJQIXSXQJWOZ-MLCYQJTMSA-N 328.364 3.187 0 30 EGAC COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1F 212842821 IDISCAWLAXTTEZ-SJORKVTESA-N 331.362 3.353 0 30 EGAC N#Cc1cc(-c2ccccc2)nc(I)c1C#N 39140364 HRGFXHOYIKEAQN-UHFFFAOYSA-N 331.116 3.097 0 30 EGAC CCOC(=O)C1CCN(C(=O)c2cncc(-c3cccs3)c2)CC1 153504 MDNZHPKBGPHPBR-UHFFFAOYSA-N 344.436 3.225 0 30 EGAC COc1cccc2c(=O)n3c(nc12)[C@H](c1ccccc1N(C)C)CC3 13360813 VCUMKFKKKDCQKO-AWEZNQCLSA-N 335.407 3.007 0 30 EGAC biogenic Cc1ccc2[nH]c(SCC(=O)NC3Cc4ccccc4C3)nc2c1 171457 UUOYGXGCVNGVQF-UHFFFAOYSA-N 337.448 3.247 0 30 EGAC O=C(NCCc1ccncc1)NC(=O)c1c(Cl)cccc1Cl 151074 GXEZISMNBNNCQX-UHFFFAOYSA-N 338.194 3.071 0 30 EGAC COc1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc(OC)c1 69604 MOTILUKBDKPZKO-HZPDHXFCSA-N 333.384 3.090 0 30 EGAC COc1ccccc1N1CCN(C(=O)Nc2cc(F)ccc2C)CC1 112380 FAOTVRLNCUQXHU-UHFFFAOYSA-N 343.402 3.497 0 30 EGAC CN1[C@H]2CC[C@H]1CC(NC(=O)CSCc1ccc(Cl)cc1)C2 100243880 YWVFLQXIOPZSMJ-HOTGVXAUSA-N 338.904 3.315 0 30 EGAC Cc1ccc([C@H](NC(=O)c2cccnc2)n2nnc3ccccc32)cc1 238790205 JTCDCIWTBNDKFW-LJQANCHMSA-N 343.390 3.112 0 30 EGAC O=C(CSc1n[nH]c(=O)n1-c1ccccc1)c1ccc(Cl)cc1 120759 WQNWXYQCCVIASK-UHFFFAOYSA-N 345.811 3.189 0 30 EGAC COc1cc(NC(=O)CC(=O)c2cccc(N)c2)c(OC)cc1Cl 33506173 ZBCHZFVYNMECCF-UHFFFAOYSA-N 348.786 3.151 0 30 EGAC Cc1c(C(=O)O)nnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 138630 TXGHYHRXVKHTKE-UHFFFAOYSA-N 339.195 3.312 0 30 EGAC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CO 2265351559 MOIQRAOBRXUWGN-BJSXQCTJSA-N 332.484 3.488 0 30 EGAC CCOC(=O)N1CCC(NC(=O)Nc2ccc(C)c(Cl)c2)CC1 157883 PQGSOXRKZDTWFA-UHFFFAOYSA-N 339.823 3.391 0 30 EGAC CC(C)n1ncc2c1CC[C@H](N[C@@H]1CCc3c(cnn3C(C)C)C1)C2 68577381 WMOICTBMVHEMTR-HDICACEKSA-N 341.503 3.246 0 30 EGAC CCOC(=O)c1cnn2c(Br)cc(Br)cc12 95635232 FDXWAJJLXBBJHP-UHFFFAOYSA-N 347.994 3.036 0 30 EGAC CC(=O)[C@H](c1ccccc1)N1CCN(CCOc2ccccc2)CC1 33854338 MJDBLKBXDHXADL-OAQYLSRUSA-N 338.451 3.013 0 30 EGAC COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)[C@@H]2C=NO)cc1 254850286 VTMLBBUGMXWNSA-KRWDZBQOSA-N 326.327 3.093 0 30 EGAC O=C1CS[C@@H](c2cccnc2)N1c1ccc(-c2csnn2)cc1 106690 PAGFOIJDSURXGC-INIZCTEOSA-N 340.433 3.379 0 30 EGAC O=C(O)CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 21304332 ACBCPWPBLPGHIS-UHFFFAOYSA-N 346.252 3.095 0 30 EGAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@@H]2CCC[C@@H]2OS1(=O)=O 2265351929 NZNNFKFJVOJIOO-QKGCVVFFSA-N 345.461 3.082 0 30 EGAC O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2C[C@@H]12 725240384 ASRYHUYFNSHKKU-YQVWRLOYSA-N 349.386 3.340 0 30 EGAC O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 158790 YCTRFLJIVGYLTG-UHFFFAOYSA-N 333.265 3.184 0 30 EGAC O=C(Nc1ccc(F)cc1F)N1CCN(CCc2ccccc2)CC1 4324645 NSXAYBGVSQBBDO-UHFFFAOYSA-N 345.393 3.357 0 30 EGAC Cc1ccc2oc(=O)n(CCc3noc(-c4cccs4)n3)c2c1 154293 NJGHROBVBRXAHW-UHFFFAOYSA-N 327.365 3.257 0 30 EGAC CC(C)c1cccc(OC(=O)N(C)[S@@](=O)OCc2ccccn2)c1 5314888 KOOFYRWINFBIHW-XMMPIXPASA-N 348.424 3.431 0 30 EGAC CCCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 2032621 PYPJRLVCFAVWFR-UHFFFAOYSA-N 341.451 3.198 0 30 EGAC in-man Oc1ccc2c(c1)Oc1ccc(Cl)cc1C(N1CCNCC1)=N2 6094127 MEUGUMOVYNSGEW-UHFFFAOYSA-N 329.787 3.135 0 30 EGAC world O=C(CSc1nnnn1-c1cccc(Cl)c1)c1ccc(F)cc1 102335 ZVLNJSBVPJLRRJ-UHFFFAOYSA-N 348.790 3.430 0 30 EGAC OC(c1cnc(Br)s1)(C(F)(F)F)C(F)(F)F 116403273 HVRLMJJDIVXDET-UHFFFAOYSA-N 330.047 3.218 0 30 EGAC CC(C)(C)OC(=O)Nc1cnc(F)cc1I 114174246 DYQCBPRXZVCWTJ-UHFFFAOYSA-N 338.120 3.172 0 30 EGAC COC(=O)c1ccc2c(c1)C[C@H](c1cccc(Br)n1)O2 22003003 RCSHYRRMKKSKJF-CYBMUJFWSA-N 334.169 3.307 0 30 EGAC CSc1ncccc1C(=O)c1c(C)nn(-c2ccccc2)c1O 93150 SQOKQOKUCUFCOM-UHFFFAOYSA-N 325.393 3.234 0 30 EGAC COc1ccccc1NC(=O)N1c2ccccc2NC(=O)C[C@H]1C 155878 PCDDDCHSTGANIL-GFCCVEGCSA-N 325.368 3.464 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@]12CCN(Cc1ccccc1)C2=O 79034737 WVBDDJUWJBJCCC-LJQANCHMSA-N 330.428 3.189 0 30 EGAC O=C(O)[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)OCc1ccccc1 220390288 DFPRYGKQAKFNLF-VXGBXAGGSA-N 331.290 3.051 0 30 EGAC Cc1nn(C)c(=O)c2noc(/C=C/c3ccc(C(F)(F)F)cc3)c12 132267 FAHOWTMCWSMPDD-VMPITWQZSA-N 335.285 3.419 0 30 EGAC O=C1NC(=O)c2c(Cc3ccc(F)cc3Br)cccc21 28278288 IETXPJUDZGVQSM-UHFFFAOYSA-N 334.144 3.063 0 30 EGAC O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1 1848483 BYQDGAVOOHIJQS-UHFFFAOYSA-N 342.391 3.497 0 30 EGAC CC(C)n1ncc2c1CC[C@H](N[C@H]1CCc3c(cnn3C(C)C)C1)C2 68577383 WMOICTBMVHEMTR-ROUUACIJSA-N 341.503 3.246 0 30 EGAC CC(=O)NC1CCN(C(=S)Nc2cc(Cl)ccc2Cl)CC1 67378 BIVSKKNTWOXRCJ-UHFFFAOYSA-N 346.283 3.291 0 30 EGAC CN(C)c1cccc(N(C)C)c1CNC(=O)c1ccccc1Cl 141251 YONQPNHUVUMFOL-UHFFFAOYSA-N 331.847 3.402 0 30 EGAC COc1ccccc1CC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 162806 XYPJULGSCOJNRK-UHFFFAOYSA-N 349.434 3.068 0 30 EGAC O=c1c2ccccc2nnn1-c1ccc(Br)c(Cl)c1 1041681 RPTCOKUNRNKRGT-UHFFFAOYSA-N 336.576 3.197 0 30 EGAC COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CCF 31977072 YYXOKPOCUHEGJE-JJXSEGSLSA-N 325.811 3.419 0 30 EGAC CCOC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(C)cc1 80336 MIRBSJXECCTFGB-UHFFFAOYSA-N 339.438 3.342 0 30 EGAC COc1ccc2[nH]cc([C@H]3CC(=O)N(Cc4ccccc4)C3=O)c2c1 38297940 DFHMLSFPSZMFND-MRXNPFEDSA-N 334.375 3.219 0 30 EGAC O=c1/c(=C/c2ccccc2)sc2nnc(-c3ccc(Cl)cc3)n12 1036523 GRMVSXWUGBVLFX-UVTDQMKNSA-N 339.807 3.019 0 30 EGAC CCn1c2ccccc2c2cc(B(O)OC(C)(C)C(C)(C)O)ccc21 238791511 JAMCNSPQPIAVPU-UHFFFAOYSA-N 339.244 3.068 0 30 EGAC CO/C(=C1/C(=O)N(C(C)=O)c2cc(C(C)=O)ccc21)c1ccccc1 2382215916 UMKOPCBQIYPNGY-VHEBQXMUSA-N 335.359 3.297 0 30 EGAC CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C2 100244178 CTEQVORSQZZOOB-STQMWFEESA-N 343.349 3.332 0 30 EGAC CCOC(=O)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)C=CN(C)C 34737064 HZNINJSNPLWUSB-CYBMUJFWSA-N 344.238 3.360 0 30 EGAC O=S(=O)(ON=C1CCCc2occc21)c1ccc(Cl)cc1 263632792 VMWVVIPXLUGVQP-UHFFFAOYSA-N 325.773 3.379 0 30 EGAC COc1ccc2c(c1)OC[C@H](c1ccc(OC)c(OC)c1OC)C2 32232999 AMLAGXGXHMFDOU-CYBMUJFWSA-N 330.380 3.440 0 30 EGAC Cc1ccc(NC(=O)CSC[C@@H](O)C(F)(F)F)c(Cl)c1 4389325 HFMUELRRFDASAE-SNVBAGLBSA-N 327.755 3.243 0 30 EGAC O=C(Nc1ccc2c(c1)OC[C@@H]1CCCN21)C1=Cc2ccccc2OC1 131494 BRXCTPUPFBQDDV-KRWDZBQOSA-N 348.402 3.462 0 30 EGAC O=C1C(=O)[C@@H](Br)CCCCCC[C@@H]1Br 100127113 AZSTUXAYQBCYGZ-YUMQZZPRSA-N 326.028 3.006 0 30 EGAC COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC 2008837 VOLPCZWHFBZDQT-UHFFFAOYSA-N 328.320 3.191 0 30 EGAC biogenic COC(=O)c1ccccc1[S@](=O)c1cccc2cccc(CO)c12 8626820 NTCISUKNXXTFNW-XMMPIXPASA-N 340.400 3.285 0 30 EGAC Cc1ccc(S(=O)(=O)n2ccc3nc(Cl)nc(Cl)c32)cc1 118403821 LPKNRAPPWSFABV-UHFFFAOYSA-N 342.207 3.284 0 30 EGAC CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2ccccc2)CC1 146055 MIKXUUBUWSKLSE-UHFFFAOYSA-N 333.432 3.455 0 30 EGAC CCOC(=O)c1c[nH]c2cc(-c3ccc(C(C)(C)C)cc3)nn2c1=O 100219706 FQQWKFDXMZYKNT-UHFFFAOYSA-N 339.395 3.164 0 30 EGAC O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1Cc1cccnc1 68833 FUNUQTHCNZVWSN-CQSZACIVSA-N 332.812 3.155 0 30 EGAC COC(=O)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC 76398 WSJYKDAFFWGRCD-UHFFFAOYSA-N 330.123 3.222 0 30 EGAC O=C(CCCOC(=O)c1ccc2c(c1)OCO2)OCc1ccccc1 21299884 UOPBLJBPXPUPJS-UHFFFAOYSA-N 342.347 3.096 0 30 EGAC CC(C)n1ncc2c1CC[C@@H](N[C@@H]1CCc3c(cnn3C(C)C)C1)C2 68577379 WMOICTBMVHEMTR-QZTJIDSGSA-N 341.503 3.246 0 30 EGAC CC(C)(C)OC(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 95616892 SBYDSWGHJFFGJY-NSHDSACASA-N 343.221 3.232 0 30 EGAC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 2265351560 MOIQRAOBRXUWGN-GVNFVFRUSA-N 332.484 3.488 0 30 EGAC CC(C)(C)OC(=O)N1CCc2c(N)ccc(Br)c2C1 536957741 FGICENBYTMMDQZ-UHFFFAOYSA-N 327.222 3.325 0 30 EGAC CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(O)ccc1O2 113903121 UMDXOBNTRMPHQY-UHFFFAOYSA-N 333.384 3.127 0 30 EGAC [O-][n+]1cccc2c1C(=C1CCNCC1)c1ccc(Cl)cc1CC2 35643781 ZTRQZDOHUHWANO-UHFFFAOYSA-N 326.827 3.257 0 30 EGAC in-vitro CCN(CC)CCN(C(=O)c1ccc(OC)cc1)c1ccccc1N 2020663 LUZKHZZVDYHFLK-UHFFFAOYSA-N 341.455 3.266 0 30 EGAC CC(C)(C)c1ccc(NC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 4325109 IWGHESMNKPCFAT-UHFFFAOYSA-N 347.440 3.276 0 30 EGAC O=C(O)[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OCc1ccccc1 220390225 DFPRYGKQAKFNLF-NWDGAFQWSA-N 331.290 3.051 0 30 EGAC CC(C)(C)OC(=O)N1CCC(n2ccc(Br)n2)CC1 142876857 HZVCWGMCTPAYAC-UHFFFAOYSA-N 330.226 3.218 0 30 EGAC in-vitro CCCCCCCC[C@H](C/C=C/[C@@H](CC=O)C(=O)O)NCC(=O)O 205061925 YHPBPZGMCOXTPK-OFTJQPPSSA-N 341.448 3.016 0 30 EGAC O=C(CSC1=NN[C@@H](c2ccccn2)S1)Nc1ccccc1 127365 QQXUHMOOSXZQGF-CQSZACIVSA-N 330.438 3.060 0 30 EGAC C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 96030128 HQTALZCXADTAOJ-WMKLNCLBSA-N 334.500 3.422 0 30 EGAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351373 GKEOVXGMIWMMQG-YJQDOJAJSA-N 347.499 3.074 0 30 EGAC CN(C)C=C(C(=O)C(F)(F)F)c1onc(-c2ccccc2)c1C#N 8873801 CGEIJOWKMGDJBO-UHFFFAOYSA-N 335.285 3.247 0 30 EGAC CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(N)ccc1O2 72232991 KUUQLIAYCGNJFN-UHFFFAOYSA-N 332.400 3.004 0 30 EGAC CN(C)Cc1ccc(CSCCNC(=O)Nc2ccccc2)o1 2163271 WXWGGJIXDGMELX-UHFFFAOYSA-N 333.457 3.396 0 30 EGAC Cc1ccc(NC(=S)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1 102933201 PIQPLEMKIUPDRB-YDHLFZDLSA-N 348.541 3.158 0 30 EGAC COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1 162354 ZQIDXDZNBVBXGX-UHFFFAOYSA-N 341.411 3.058 0 30 EGAC CC(=O)Nc1ccccc1OCCOc1ccccc1NC(C)=O 3128855 XFTQJFDCTCEKGN-UHFFFAOYSA-N 328.368 3.061 0 30 EGAC O=C1C(=CNCc2cccnc2)C(C(F)(F)F)=NN1c1ccccc1 1402505 KPJZFUCORFQXOD-UHFFFAOYSA-N 346.312 3.020 0 30 EGAC O=C1C(=O)[C@H](Br)CCCCCC[C@@H]1Br 100127108 AZSTUXAYQBCYGZ-OCAPTIKFSA-N 326.028 3.006 0 30 EGAC NC(=O)c1nnc2cc(-c3ccccc3)nn2c1-c1ccccc1Cl 165334 MVXZTFGHNYAULN-UHFFFAOYSA-N 349.781 3.211 0 30 EGAC CCOC(=O)[C@@H]1C(=O)N(CC)[C@@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 252427703 CMWSRXJFTGYKQA-DFYYWFRZSA-N 343.423 3.091 0 30 EGAC C[C@H](Oc1cccc(Cl)c1)c1ccnc2nc(N=CN(C)C)nn12 261156929 QCIDABMIGABSSL-NSHDSACASA-N 344.806 3.139 0 30 EGAC COc1ccc(-c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1 40442958 TXMBDXOQOVGINF-UHFFFAOYSA-N 329.400 3.379 0 30 EGAC CC(C)(C)c1ccc(-c2noc(CSc3n[nH]c(N)n3)n2)cc1 115651 TYGLDTKEIDGDHK-UHFFFAOYSA-N 330.417 3.027 0 30 EGAC C[S@](=O)(=NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 13466109 CYTFBLLKPZPALQ-GOSISDBHSA-N 335.859 3.247 0 30 EGAC O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1C1Cc2ccccc2C1 26717861 YKZCMELRVLBSAS-UHFFFAOYSA-N 335.256 3.006 0 30 EGAC NC(=O)c1sccc1NC(=O)CSCc1ccc(Cl)cc1 80618 JEIZZJWHHDVNOX-UHFFFAOYSA-N 340.857 3.372 0 30 EGAC CCOC(=O)C(C(=O)OCC)c1ccc(OCc2ccccc2)cc1 4364649 BQTVVZWIHIDSJL-UHFFFAOYSA-N 342.391 3.475 0 30 EGAC Ic1nn([C@@H]2CCCCO2)c2ccccc12 390065153 YUBLZHLSCACZQU-NSHDSACASA-N 328.153 3.340 0 30 EGAC CCN1CCC[C@H]1CNC(=O)c1c(OC(C)C)cccc1OC(C)C 2021781 PNYHUCVZDPPOTQ-INIZCTEOSA-N 348.487 3.475 0 30 EGAC CC(C)(C)OC(=O)n1cc(I)c2ncccc21 504693606 KDHRAEOQNBFTPX-UHFFFAOYSA-N 344.152 3.424 0 30 EGAC O=C(c1c(F)cccc1F)N1CCN(c2cccc3[nH]ccc23)CC1 162885 RPCGWGIRHVSCSX-UHFFFAOYSA-N 341.361 3.409 0 30 EGAC O=C(NCc1ccccc1N1CCCC1)c1cccc2nsnc12 12340980 UXMVRJMFNKVFIK-UHFFFAOYSA-N 338.436 3.222 0 30 EGAC CC(=O)O[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 13466858 NCBJBWZNGJCNQP-QBYKVAOYSA-N 330.424 3.383 0 30 EGAC CCOC(=O)[C@@H](C)N1C(=O)C(=O)c2cc(-c3ccc(C)cc3)ccc21 95951494 YTHMBJGVWDQXBV-CYBMUJFWSA-N 337.375 3.143 0 30 EGAC CC(C)(C)S(=O)(=O)C(C#N)=NNc1ccc(C(F)(F)F)cc1 254876014 CWCWITCRSMRUTD-UHFFFAOYSA-N 333.335 3.168 0 30 EGAC O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCCc2ccccc21 157729 LJRQAWSSZULWKW-UHFFFAOYSA-N 339.420 3.014 0 30 EGAC Cc1nnc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCC3)c2)s1 1772768814 HQRYNOVKRKLADI-LSDHHAIUSA-N 328.441 3.097 0 30 EGAC COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(OC)cc1 100332992 CBTCTPUAPDCTKT-RTBURBONSA-N 325.408 3.084 0 30 EGAC O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H]2CNC[C@@H](C2)C1 718976527 PXLHEKMQZDNAAC-HZPDHXFCSA-N 348.446 3.477 0 30 EGAC O=C1CS(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccccc21 92210 ROWWJUWSFXRVOR-UHFFFAOYSA-N 339.775 3.012 0 30 EGAC CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC(=O)c1ccc(N)cc1 21299051 UNAAPAOMRQBENA-UHFFFAOYSA-N 334.715 3.252 0 30 EGAC CCOC(=O)c1nc2cc(C(F)(F)F)ccn2c1Br 953019241 IOBRHUDALBOFAK-UHFFFAOYSA-N 337.095 3.292 0 30 EGAC O=S(=O)(c1cc(Br)c(Cl)s1)N1CCCCC1 110857 NJJNVBQMCPNPQH-UHFFFAOYSA-N 344.683 3.339 0 30 EGAC Cc1c(CC(=O)O)c2cc3c(cc2n1C(=O)c1cccs1)OCO3 2005842 HHWDIOVTZBAVKQ-UHFFFAOYSA-N 343.360 3.056 0 30 EGAC COc1cc(NC(=O)CCOc2ccc(F)cc2)cc(OC)c1OC 107264 WRRPUVCQPFXRFZ-UHFFFAOYSA-N 349.358 3.259 0 30 EGAC COC(=O)C[C@H]1COc2ccccc2N1C(=O)C=Cc1ccccc1 2265269964 FYWRPSAPXXMRQK-INIZCTEOSA-N 337.375 3.057 0 30 EGAC O=C(O)C=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 725240624 RSZYIFTUUZMIDT-UHFFFAOYSA-N 335.359 3.262 0 30 EGAC NC(=O)C1=CN(C(=O)Nc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F 77829 MFMCQEBZRHWYKY-LLVKDONJSA-N 347.724 3.125 0 30 EGAC CN1C(=O)C(=NNc2ccc(Br)cc2)c2ccccc21 254852722 LZTGVBDAPYXERF-UHFFFAOYSA-N 330.185 3.242 0 30 EGAC Cc1ccc(C=NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 254845434 CRPAYSRVKIIIBO-UHFFFAOYSA-N 335.451 3.357 0 30 EGAC CN(C)CCNC(=O)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 2021518 WUDVMOAOYVMPNR-QGZVFWFLSA-N 331.847 3.171 0 30 EGAC C[S@](=O)(=NC(=S)NC(=O)Oc1ccccc1)c1ccccc1 13466185 PLRCTRMUYOGXFV-JOCHJYFZSA-N 334.422 3.217 0 30 EGAC COc1ccccc1N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 42751586 NWHURSDTCMMVEU-UHFFFAOYSA-N 348.450 3.408 0 30 EGAC Cc1nc(C(F)(F)F)ccc1C(=O)Oc1ccc2c(c1)OCO2 66343 CDVCZGWAJFQACW-UHFFFAOYSA-N 325.242 3.357 0 30 EGAC COc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 162352 AHDWMMCJDOJOHP-UHFFFAOYSA-N 347.365 3.328 0 30 EGAC CN(C)c1ccc(Br)c(I)c1 300907880 DVPYPSJFYFHXER-UHFFFAOYSA-N 325.975 3.120 0 30 EGAC CCCC[C@]1(CCN2CCCCC2)C(=O)N(Cl)C(=O)N=C1O 96341684 SPTPSKGIITUQST-OAHLLOKOSA-N 329.828 3.112 0 30 EGAC COCCNCc1nc(-c2cccc(Br)c2)cs1 53296184 RFFINDRNHRWEDY-UHFFFAOYSA-N 327.247 3.309 0 30 EGAC in-vitro CCCCCCCCCCCC/C(=C/C(=O)O)C(=O)NCCO 111903071 WWOFIZZYJHZNNI-NXVVXOECSA-N 327.465 3.417 0 30 EGAC CC(=O)c1sc(CCn2cccc(C(F)(F)F)c2=O)nc1C 127091 OAXFIZFCUBDKCM-UHFFFAOYSA-N 330.331 3.077 0 30 EGAC O=C(O)[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OCc1ccccc1 220390341 DFPRYGKQAKFNLF-RYUDHWBXSA-N 331.290 3.051 0 30 EGAC Fc1cc(Br)cc2c(I)n[nH]c12 96320987 ADRYMWXNNJMMIC-UHFFFAOYSA-N 340.921 3.069 0 30 EGAC CC(C)(C)OC(=O)c1ccc(N2C[C@H](CN=[N+]=[N-])OC2=O)cc1F 144730808 WJYBZHPWAQYWSF-JTQLQIEISA-N 336.323 3.417 0 30 EGAC COc1ccc([C@@H]2CC(=O)c3cc(OC)c(OC)cc32)cc1OC 119655 XMIUWYWMDDZCAG-LBPRGKRZSA-N 328.364 3.439 0 30 EGAC COc1ccc2c(c1)-c1c(OC)c(OC)cc3c1[C@@H](C2=O)N(C)CC3 31456581 NZCXSMMAVUXISH-SFHVURJKSA-N 339.391 3.105 0 30 EGAC biogenic COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(O)CC1 43808070 HPFHIDKRJQMKAN-UHFFFAOYSA-N 339.435 3.298 0 30 EGAC CCOC(=O)[C@H](CC)Sc1nnc2c3cc(C)ccc3n(C)c2n1 1366110 MOSLYWPZBKDZKW-ZDUSSCGKSA-N 344.440 3.259 0 30 EGAC O=C(NC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 87287 XVMCYCAYTDSOEM-UHFFFAOYSA-N 342.826 3.375 0 30 EGAC FC(F)(F)c1ccc(C2=NN[C@H](c3ccc(Cl)cc3)N2)nc1 127253 RKPPKNTZLRPTQK-GFCCVEGCSA-N 326.709 3.307 0 30 EGAC CCOC(=O)[C@H]1C(=O)N(CC)[C@@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 252427705 CMWSRXJFTGYKQA-WVSUBDOOSA-N 343.423 3.091 0 30 EGAC C[C@@H]1C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 1554770383 QBVDEQZZGNYBPS-KZULUSFZSA-N 337.375 3.483 0 30 EGAC Cc1cn(-c2ccccc2)nc1C(=O)Nc1nn(C)c2ccccc12 146183 HXOCFSKIYSVESH-UHFFFAOYSA-N 331.379 3.320 0 30 EGAC CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cncc(Cl)n1 1559303485 QHGRBSPICJBOHJ-UHFFFAOYSA-N 340.855 3.213 0 30 EGAC CC(C)=CCC(=O)[C@@]1(O)C(O)=C(C(=O)C(C)C)C(=O)[C@@H]1CC=C(C)C 5114365 KKXFYHZSOIALRM-VBKZILBWSA-N 348.439 3.235 0 30 EGAC biogenic C[C@@H]1C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 1554770385 QBVDEQZZGNYBPS-XIKOKIGWSA-N 337.375 3.483 0 30 EGAC Cc1oc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1 118139 XHRZZTFQNMUILW-UHFFFAOYSA-N 348.424 3.015 0 30 EGAC C[C@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)N(C)C 2019965 PCXMKBOWWVXEDT-OAHLLOKOSA-N 334.423 3.428 0 30 EGAC in-man CC(C)(C)OC(=O)c1cc(Br)cnc1N1CCCC1 725328100 YTWLGTDSBROULU-UHFFFAOYSA-N 327.222 3.400 0 30 EGAC COC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 5511473 DWHISIGVNJJMBD-UHFFFAOYSA-N 334.169 3.488 0 30 EGAC CN1CCC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)C1 11682209 LCFBCKSQWVQIBY-QUCCMNQESA-N 331.456 3.092 0 30 EGAC in-man CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)/C=C/C(=O)O)cc1 38647688 YGVINVPNQKMIAI-VAWYXSNFSA-N 326.348 3.264 0 30 EGAC CC(C)(C)OC(=O)N[C@@H](CN)c1cc(F)cc(Br)c1 698264232 SZLPUUOTBSUOAL-NSHDSACASA-N 333.201 3.113 0 30 EGAC CCn1nc(C)c(Br)c1-c1nc(-c2ccccn2)no1 114120 CFIHCVDBBBMPCC-UHFFFAOYSA-N 334.177 3.086 0 30 EGAC COc1cc2c(cc1OC)-c1c(cc(OC)c(OC)c1OC)CC2 145696535 UXPMGFOMOMHUTK-UHFFFAOYSA-N 330.380 3.495 0 30 EGAC C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 96030129 HQTALZCXADTAOJ-SOLBAUSLSA-N 334.500 3.422 0 30 EGAC Cn1c(SCc2ccc(-c3nnco3)cc2)nnc1C(F)(F)F 107402 YVAWLOYNPRPJPQ-UHFFFAOYSA-N 341.318 3.176 0 30 EGAC CCOC(=O)C[C@](O)(c1c(C)n(C)c2ccccc12)C(F)(F)F 142783364 WDEAFROMUJDJSO-HNNXBMFYSA-N 329.318 3.190 0 30 EGAC COCC[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C 34550621 NGQAIONWGHJJGR-KRWDZBQOSA-N 334.460 3.144 0 30 EGAC O[C@]1(c2ccc(Cl)cc2Cl)Cc2ccccc2C2=NCCN21 27860444 MRYHNERJCXUYSM-KRWDZBQOSA-N 333.218 3.457 0 30 EGAC COC(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 143510 XNCHNCOUSDJKGP-UHFFFAOYSA-N 348.811 3.253 0 30 EGAC Cc1ccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)cc1 154668 QIWIWOMNKSGDNR-NSHDSACASA-N 326.421 3.174 0 30 EGAC CSc1cc(C(C)(C)C)nn1S(=O)(=O)c1ccc(F)cc1F 142267 AUQLKWLKAPCEFW-UHFFFAOYSA-N 346.424 3.418 0 30 EGAC CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc3c1OC(C)(C)C3)C2 100093179 SPKBYQZELVEOLL-QDMKHBRRSA-N 348.874 3.409 0 30 EGAC in-man CCOC(=O)c1cc(=O)c2ccc(OC(=O)c3cccs3)cc2o1 80809 SHSPARGANKNMHS-UHFFFAOYSA-N 344.344 3.250 0 30 EGAC O=C(c1cccc(OC(F)F)c1)N(CC1OCCO1)c1ccccc1 15042784 VLCBXNZQDOFPNS-UHFFFAOYSA-N 349.333 3.308 0 30 EGAC COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(C)=O)cc1 19866077 IWUVFBGTUYHJKA-FQEVSTJZSA-N 341.407 3.206 0 30 EGAC biogenic c1ccc2c(c1)Sc1cccnc1N2CCCN1CCOCC1 33856414 IAEXWMMGYDTCND-UHFFFAOYSA-N 327.453 3.407 0 30 EGAC O=C1SC[C@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1 6096331 XJZIDYQGGLZUIO-IRXDYDNUSA-N 338.432 3.135 0 30 EGAC in-vitro Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)cc1 92784 NLVRMDJXRYCXFY-UHFFFAOYSA-N 341.392 3.378 0 30 EGAC Cc1ccccc1NC(=O)C(Cl)=C(Cl)S(=O)(=O)C(C)C 2265278769 BLRKWGVQMXLVTR-UHFFFAOYSA-N 336.240 3.403 0 30 EGAC O=S(=O)(Cl)c1sc(Br)cc1Br 137323169 KSZCHVMDIOJIEF-UHFFFAOYSA-N 340.445 3.201 0 30 EGAC CC(=O)Oc1ccc(CC(=O)c2cncc(Br)c2)cc1 328794117 JAQHWQKXUQQGCU-UHFFFAOYSA-N 334.169 3.195 0 30 EGAC Cc1cc(C)c(C(=O)c2ccccc2)c(OC[C@@H](O)CNC(C)C)c1 44709749 PROFREAHASWZMW-SFHVURJKSA-N 341.451 3.272 0 30 EGAC O=C(COc1cc(Cl)c(Cl)cc1Cl)OCCCCO 32153146 VXWTVROLUSKWJR-UHFFFAOYSA-N 327.591 3.341 0 30 EGAC C[C@H](CC1(C)Oc2ccccc2O1)N[C@H](C)[C@@H](O)c1ccc(O)cc1 255974003 GHZMIKHRJGFMDC-PJIJBLCYSA-N 343.423 3.370 0 30 EGAC CC(C)(C)OC(=O)NC12CC(NC(=O)OCc3ccccc3)(C1)C2 953092492 OTKBTQQVMWTIAZ-UHFFFAOYSA-N 332.400 3.113 0 30 EGAC O=C1O[C@@H](C(Cl)(Cl)Cl)N2CCC[C@]12Cc1ccccc1 210743451 FLBQKWUEBRLYKT-AAEUAGOBSA-N 334.630 3.317 0 30 EGAC CC(C)(C)CC(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 19615921 YSHMYILKALVUOQ-UHFFFAOYSA-N 329.366 3.185 0 30 EGAC CCOC(=O)[C@@H](C)Sc1nnc2c3cc(CC)ccc3n(C)c2n1 1366155 JIAZKAQFPIOSIK-SNVBAGLBSA-N 344.440 3.123 0 30 EGAC Cc1nn(-c2cc(C)c3c(C)nn(C)c3n2)c(C)c1Br 36048357 PFQXAGFTTZFXDP-UHFFFAOYSA-N 334.221 3.150 0 30 EGAC Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 5162036 QLCDVUAIWJCGRU-UHFFFAOYSA-N 347.326 3.248 0 30 EGAC O=C(c1ccc(Br)nc1)c1ccc(Br)nc1 165941616 VHTPZIBZNLGDKT-UHFFFAOYSA-N 341.990 3.233 0 30 EGAC O=C1[C@@H]2CN(Cc3ccccc3)C[C@H]2[C@H]2CN(Cc3ccccc3)C[C@@H]12 953104667 XPIMMBVOSAKJLT-CIAFKFPVSA-N 346.474 3.066 0 30 EGAC COC(=O)[C@H](c1ccccc1Cl)N1CCC2=C(CC(=O)S2)C1 105435342 AZRUDPJZBRJPHU-HNNXBMFYSA-N 337.828 3.177 0 30 EGAC O=C(O)c1ccccc1C(=O)NCc1ccccc1OC(F)(F)F 147743 HUXDWFVQDWJHGM-UHFFFAOYSA-N 339.269 3.213 0 30 EGAC O=S(=O)(Oc1ccc2nonc2c1)c1ccc(Cl)cc1Cl 3467651 BSLBVVLJAOUXSH-UHFFFAOYSA-N 345.163 3.297 0 30 EGAC CN(C)C=C(C(=O)c1ccccc1Cl)S(=O)(=O)c1ccccc1 6199117 NNBVSADCLGJVRD-UHFFFAOYSA-N 349.839 3.400 0 30 EGAC CCC1=C(CC(=O)O)C[C@H]2c3cc(OC)c(OC)cc3CCN2C1 38636049 MRYCPUFOGFAHTC-INIZCTEOSA-N 331.412 3.188 0 30 EGAC O=S(=O)(c1cccnc1)n1ccc2c(Br)cccc21 203968191 IFXGNOAHTPHICQ-UHFFFAOYSA-N 337.198 3.036 0 30 EGAC O=c1n(Cc2ccccc2Cl)nc2n1-c1ccccc1SC2 160589 RMBQPYVKNLJLID-UHFFFAOYSA-N 329.812 3.341 0 30 EGAC O=S(=O)(Nc1cccc(-c2nnco2)c1)c1ccc(Cl)cc1 107122 FALBQYVBTHVLOQ-UHFFFAOYSA-N 335.772 3.191 0 30 EGAC CCCCN(CCCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccccc1 5821179 ZASBADBZECAFKT-KRWDZBQOSA-N 344.455 3.247 0 30 EGAC CCCOc1cccc(Oc2cc3c(cc2N)n(C)c(=O)n3C)c1 1690110810 GOCYRUJORHJQLB-UHFFFAOYSA-N 327.384 3.040 0 30 EGAC Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3N)C2=O)c(C)c1 98491 RMZFEJIHIDJLSM-MRXNPFEDSA-N 326.421 3.310 0 30 EGAC CC(=O)Nc1cc(=O)oc2ccc(NC(=O)c3ccc(F)cc3)cc12 167390 MKZOTOLQYQXUKC-UHFFFAOYSA-N 340.310 3.143 0 30 EGAC CON=C1CC(C)(C)Cc2c1c(-c1ccc3c(c1)OCO3)nn2C 5191008 QKPBXVLIGHZWDJ-UHFFFAOYSA-N 327.384 3.139 0 30 EGAC CN1CCC2(CC1)CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)C2 205317001 WJCSOVLPWXDKAY-UHFFFAOYSA-N 344.352 3.402 0 30 EGAC O=S(=O)(c1ccc(F)cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 86341 RGUURJWRPICHNR-UHFFFAOYSA-N 348.374 3.193 0 30 EGAC O=C(Nc1ccccc1N1CCOCC1)c1nc2ccccc2s1 131119 LLDVGDIOCXBEIT-UHFFFAOYSA-N 339.420 3.385 0 30 EGAC C[C@H]1C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 1554770384 QBVDEQZZGNYBPS-SGTLLEGYSA-N 337.375 3.483 0 30 EGAC Cc1nc2c(=O)n(-c3ccccc3C(F)(F)F)nc(C)c2s1 123837 VNNVVJBGJYOECW-UHFFFAOYSA-N 325.315 3.478 0 30 EGAC CC(=O)[C@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 100044667 WTRHKEHRZMLLDH-MJWGMMHASA-N 326.312 3.275 0 30 EGAC CCOC(=O)Cn1nc(C=Cc2ccc(C(C)C)cc2)ccc1=O 2265276347 YWKKQEUYOYROKW-UHFFFAOYSA-N 326.396 3.100 0 30 EGAC COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC(=O)c1ccccc1 1846763 VHLOZYACBUHUAV-UHFFFAOYSA-N 337.375 3.468 0 30 EGAC Cc1csc(-c2cn(C(C)C)c(=O)n(Cc3ccccc3)c2=O)n1 169654 LKYXJCHSNRKXFW-UHFFFAOYSA-N 341.436 3.071 0 30 EGAC CCOC(=O)c1c(-c2ccccc2Cl)cc(C)nc1COCCN 71602929 TUTUEETZLBOKJD-UHFFFAOYSA-N 348.830 3.362 0 30 EGAC in-vitro CC(C)(C)OC(=O)N1CCC[C@@H](n2nccc2Br)C1 2265383635 HVONLHJJHRPEOJ-SNVBAGLBSA-N 330.226 3.218 0 30 EGAC O=S(=O)(Oc1ccc(Cl)cc1)c1cccc2nsnc12 2142386 LLHQBNMIOQAMIR-UHFFFAOYSA-N 326.786 3.112 0 30 EGAC CN(C)c1ccc(C=NNC(=O)c2ccccc2-n2cccc2)cc1 12949691 DDHOEJNPENANJB-UHFFFAOYSA-N 332.407 3.307 0 30 EGAC O=C(OC(CN1CCCCC1)CN1CCCCC1)c1ccccc1 173906 BYTHBFNSDDDNAA-UHFFFAOYSA-N 330.472 3.184 0 30 EGAC C[C@H]1CN(c2ccc(NC(=S)NCc3ccco3)cc2)C[C@H](C)O1 89173 IIDONZOYLIWLMU-KBPBESRZSA-N 345.468 3.380 0 30 EGAC CCCCCCCC[C@@H](C/C=C/[C@H](CC=O)C(=O)O)NCC(=O)O 238790353 YHPBPZGMCOXTPK-USQNJUIBSA-N 341.448 3.016 0 30 EGAC O=c1c(CC=Cc2ccccc2)c(O)ccn1CCc1ccccn1 2265278980 OBSSUUOCWULSDI-UHFFFAOYSA-N 332.403 3.448 0 30 EGAC CC(C)(C)OC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)O)CC1 821275188 CEDBWZWIWDMHFY-UHFFFAOYSA-N 338.379 3.092 0 30 EGAC CCOC(=O)C(=CNc1nc2ccc(C)cc2s1)C(=O)OCC 2161614 WJPCZTUHICFXGW-UHFFFAOYSA-N 334.397 3.027 0 30 EGAC COc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1OC 70058 DXWLQMBYYQPYHQ-UHFFFAOYSA-N 335.400 3.458 0 30 EGAC COc1ccc2c(c1)OC[C@@H](c1ccc(OC)c(OC)c1OC)C2 32233001 AMLAGXGXHMFDOU-ZDUSSCGKSA-N 330.380 3.440 0 30 EGAC CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccnc(Cl)n1 95075535 FCZKGSSWWJGAOJ-UHFFFAOYSA-N 340.855 3.213 0 30 EGAC CN1[C@H]2CC[C@@H]1CC[C@@H]2OC(=O)[C@@](O)(c1cccs1)C1CCCC1 299754636 CVJANHUQCGTAOX-DRMAHVMPSA-N 349.496 3.294 0 30 EGAC O=S(=O)(NCC[C@H]1CC1(Cl)Cl)c1ccc(Cl)cc1 142223 ZJWXRQYJHLDWIV-QMMMGPOBSA-N 328.648 3.202 0 30 EGAC O=C(O)c1ccccc1[S@](=O)c1cccc2cccc(CO)c12 133982 HDOYWJCRKIAWOZ-HSZRJFAPSA-N 326.373 3.197 0 30 EGAC COC(=O)c1ccc2c(c1)C[C@@H](c1cccc(Br)n1)O2 22003010 RCSHYRRMKKSKJF-ZDUSSCGKSA-N 334.169 3.307 0 30 EGAC O=C(CCN1CCOCC1)c1ccc(OCc2ccccc2)cc1 20421334 QSTDXROSWSUWIL-UHFFFAOYSA-N 325.408 3.171 0 30 EGAC CCCCOC(=O)Nc1ccccc1OC[C@H](O)CNC(C)(C)C 1853492 VFTUWXQTEBQSBU-CQSZACIVSA-N 338.448 3.163 0 30 EGAC CCOC(=O)c1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1 95616879 OKEOBVFOMOCMIR-UHFFFAOYSA-N 332.400 3.412 0 30 EGAC CCCc1ccc(S(=O)(=O)Nc2ccc3nsnc3c2)cc1 12340914 PDBUEGMYQJZGMK-UHFFFAOYSA-N 333.438 3.445 0 30 EGAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@@H]2CCC[C@H]2OS1(=O)=O 2265351930 NZNNFKFJVOJIOO-XLWJZTARSA-N 345.461 3.082 0 30 EGAC COc1cc(-c2cc3c(Cl)cc[n+]([O-])c3[nH]2)cc(OC)c1OC 21300953 GSUOYPJMLCRDSN-UHFFFAOYSA-N 334.759 3.148 0 30 EGAC CS(=O)(=O)NCCSCc1csc2ccc(Cl)cc12 3180689 QWTPHSKWHUBWER-UHFFFAOYSA-N 335.903 3.337 0 30 EGAC CC(C)(C)OC(=O)N1C(=O)C2(CCNCC2)c2ccc(Cl)cc21 888085096 SOBYETFCBHTINW-UHFFFAOYSA-N 336.819 3.243 0 30 EGAC Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccccc1 105509 QJMJJHFUVVCVPE-UHFFFAOYSA-N 328.393 3.129 0 30 EGAC O=C(O)c1ccc(OCCOc2ccc(C(=O)O)cc2Cl)cc1 33611479 ZOTIAGGMDTXJIW-UHFFFAOYSA-N 336.727 3.194 0 30 EGAC CCOC(=O)CSc1nc(NC)c2c3c(sc2n1)CCCC3 4335083 VQZAJFHSAZLAIP-UHFFFAOYSA-N 337.470 3.267 0 30 EGAC CC(C)(C)OC(=O)N1CCc2cc(O)cc(Br)c2C1 223355435 LHCHYFYHORWCPU-UHFFFAOYSA-N 328.206 3.448 0 30 EGAC CC(C)(C)OC(=O)N1CCC(Cn2ccc(Br)n2)CC1 495306956 LIJCSOSRUHDISS-UHFFFAOYSA-N 344.253 3.293 0 30 EGAC O=C(N[C@H]1CC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 722982907 QWJJKAORVUYVPU-WMZOPIPTSA-N 337.375 3.388 0 30 EGAC Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCCc3ccccc32)cc1 152234 HAIWZUBMWIKDPJ-KRWDZBQOSA-N 344.436 3.061 0 30 EGAC CN(C(=O)c1cn(C)c(=O)cc1C(F)(F)F)c1ccc(Cl)cc1 77893 ZMGMNOXLSQGNTD-UHFFFAOYSA-N 344.720 3.334 0 30 EGAC CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 66252 UZKKTJYBKDHYGL-UHFFFAOYSA-N 338.835 3.423 0 30 EGAC COCc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1C 17721180 PBARPAPNDBJNDI-UHFFFAOYSA-N 328.796 3.310 0 30 EGAC COc1ccccc1NC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 155875 PCDDDCHSTGANIL-LBPRGKRZSA-N 325.368 3.464 0 30 EGAC COc1cc2c(cc1OC)[C@H](C)N(C(=O)CC(C)(C)CC(=O)O)CC2 153178 LGHJVFVUOCVRHX-LBPRGKRZSA-N 349.427 3.041 0 30 EGAC C=Cn1c(Br)nc(Br)c1Br 22000996 YKZKXZWVKPBVBQ-UHFFFAOYSA-N 330.805 3.271 0 30 EGAC COC(=O)[C@@H](/C=C/c1ccccc1)NC(=O)OCc1ccccc1 95864792 CTOOBLYVJNONKZ-GZKZCVOOSA-N 325.364 3.168 0 30 EGAC Nc1c(Br)cc(-c2csnn2)cc1Br 106550 LFXOKTVCBCYBAX-UHFFFAOYSA-N 335.024 3.312 0 30 EGAC CC(C)c1ccc([C@H](N)CNC(=O)c2scc3c2OCCO3)cc1 655413971 BOHNEZXOUOJTNO-CQSZACIVSA-N 346.452 3.073 0 30 EGAC O=C1CSCC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 100802 OCFXHSVPNCODRN-UHFFFAOYSA-N 343.248 3.331 0 30 EGAC COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3CCC2 15217665 FCYJGRFDMUVIHS-JXFKEZNVSA-N 327.424 3.062 0 30 EGAC biogenic,in-vitro CC(C)(C)OC(=O)COc1ccccc1I 71898295 HYVIBAFPGMCIBD-UHFFFAOYSA-N 334.153 3.012 0 30 EGAC Cc1cc2c3c(ccc(S(=O)(=O)O)c3n1)C(=O)c1ccccc1-2 5160210 YWVBEIADCVGBHU-UHFFFAOYSA-N 325.345 3.001 0 30 EGAC COc1ccc(Sc2ccc(OC)cc2C(=O)O)c(C(=O)O)c1 173116 KMPUIKKELWCTOO-UHFFFAOYSA-N 334.349 3.251 0 30 EGAC CN(C(=O)C(C)(C)Oc1cc(C(F)(F)F)n(C)n1)c1ccccc1 132519 MWNGUYHEPCXLGQ-UHFFFAOYSA-N 341.333 3.259 0 30 EGAC C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CO 2265351561 MOIQRAOBRXUWGN-HGDYXINXSA-N 332.484 3.488 0 30 EGAC COc1cccc(NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1 158330 AYYSWHUWWIKZNF-UHFFFAOYSA-N 349.431 3.170 0 30 EGAC CC(C)(C)OC(=O)N1CCc2c(C(=O)O)cc(Br)cc21 725375515 LYWJHFBUWWMGPQ-UHFFFAOYSA-N 342.189 3.445 0 30 EGAC COc1ccc(-c2csnn2)cc1S(=O)(=O)Nc1ccccc1 173305 GZYQKOPGBJWPSC-UHFFFAOYSA-N 347.421 3.015 0 30 EGAC Cc1cc(C(F)(F)F)cc(N(C)N[C@@H]2OC(=O)c3ccccc32)n1 142869 NDEGXZGSYDORQK-CQSZACIVSA-N 337.301 3.219 0 30 EGAC Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)no1 107041 RAGHUOOXKZYQNN-UHFFFAOYSA-N 340.710 3.456 0 30 EGAC Cn1c(CNC(=O)c2ccccc2)nnc1SCc1ccccc1 171512 AMBIFMDKYXKWKE-UHFFFAOYSA-N 338.436 3.037 0 30 EGAC O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(F)c(Cl)c1 166766 UIUBCFNGLFRCHN-UHFFFAOYSA-N 341.791 3.033 0 30 EGAC COc1cc(NC(=O)NCCSCc2ccco2)cc(OC)c1 4364713 FJOWZWKZUWTGCX-UHFFFAOYSA-N 336.413 3.352 0 30 EGAC O=C1c2ccccc2C(=O)N1CNc1ccc(OC(F)(F)F)cc1 102752 CUUFEOPIRCVXGF-UHFFFAOYSA-N 336.269 3.251 0 30 EGAC O=C(c1ccc(Cl)cc1)N1CCN(CCOc2ccccc2)CC1 19880190 YSZGYCRARJCHEQ-UHFFFAOYSA-N 344.842 3.177 0 30 EGAC c1csc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)c1 156240 GQVQPNKVHFTTJP-UHFFFAOYSA-N 342.405 3.093 0 30 EGAC CC(C)c1ccccc1OCCCCNCCSS(=O)(=O)O 31571979 OJNDFIOARBBKBP-UHFFFAOYSA-N 347.502 3.095 0 30 EGAC COc1cc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc(OC)c1 69607 MOTILUKBDKPZKO-HOTGVXAUSA-N 333.384 3.090 0 30 EGAC C[C@@H](N)c1cc(I)ccc1Br 229297805 PHHDQEIEZFMDGX-RXMQYKEDSA-N 325.975 3.073 0 30 EGAC O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1Cc1ccncc1 96177041 XZPATAFFGAHXJP-AWEZNQCLSA-N 332.812 3.155 0 30 EGAC CCCCC(=O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 33506005 DYVNLCJHGUOASO-UHFFFAOYSA-N 336.391 3.199 0 30 EGAC Cc1cc(Nc2nc(N[C@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1 66099927 PDOQBOJDRPLBQU-MRVPVSSYSA-N 348.773 3.007 0 30 EGAC CN(C)CC/C=C1\c2ccccc2CS(=O)(=O)c2ccccc21 346580 SDAOUNLJPTVJAJ-GZTJUZNOSA-N 327.449 3.357 0 30 EGAC CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CN2Cc1ccccc1 382674654 LCNNXSOPBFJEIT-UHFFFAOYSA-N 344.455 3.231 0 30 EGAC O=C(NCc1ccco1)c1csc([C@@H]2COc3ccccc3O2)n1 168645 HBFIGRZWORPLGB-HNNXBMFYSA-N 342.376 3.179 0 30 EGAC NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1-c1ccccc1 138657 DDXCOCOOVCNRKS-UHFFFAOYSA-N 332.285 3.052 0 30 EGAC CCS(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 104750245 AWPZCYLPRTWKFS-UHFFFAOYSA-N 349.452 3.056 0 30 EGAC CNc1ccc(Cl)cc1C(=O)NCCc1ccc(OC)c(OC)c1 144244 CRBPWQBNYSGLRM-UHFFFAOYSA-N 348.830 3.371 0 30 EGAC O=C(O)c1ccccc1OCCCCOc1ccccc1C(=O)O 140124754 OMIIMKOQSJRAGF-UHFFFAOYSA-N 330.336 3.321 0 30 EGAC Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[C@H](N)C1 67540116 MTNNAYCJLWBEHX-ZDUSSCGKSA-N 325.334 3.202 0 30 EGAC Cn1cc(CCNC(=O)Cc2cc(F)c(F)cc2F)c2ccccc21 888090736 QIZPSDTVWWEZKM-UHFFFAOYSA-N 346.352 3.497 0 30 EGAC CCOC(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccc(Cl)cc12 1366181 GZAIQNHERYRAOX-ZETCQYMHSA-N 336.804 3.203 0 30 EGAC CCOC(=O)C(NC(C)=O)=C(c1ccc(F)cc1)c1ccc(F)cc1 34402982 SWOXEJJLVVANHY-UHFFFAOYSA-N 345.345 3.423 0 30 EGAC Cc1ccc(NC(=S)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1 102933199 PIQPLEMKIUPDRB-KCQAQPDRSA-N 348.541 3.158 0 30 EGAC Cc1cnc2c(I)cc(Br)cn12 958752638 WCPKYRYDBUJBPE-UHFFFAOYSA-N 336.958 3.010 0 30 EGAC CCOC(=O)c1cnoc1-c1cccc(I)c1 8700082 JYFAZZWIIYXETI-UHFFFAOYSA-N 343.120 3.123 0 30 EGAC COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 95934219 CBTCTPUAPDCTKT-OALUTQOASA-N 325.408 3.084 0 30 EGAC Cc1ccc(S(=O)(=O)CCN2CCC(C(F)(F)F)CC2)cc1 59602151 YSHOVNSLNMWOGX-UHFFFAOYSA-N 335.391 3.043 0 30 EGAC Ic1cnc2ccc(NC3CCCCC3)nn12 238856544 WEMQBJAUHAFDIA-UHFFFAOYSA-N 342.184 3.079 0 30 EGAC NC(=O)CCOC1CCN(C(c2ccccc2)c2ccccc2)CC1 170167 BLJBQXLWXTZHMI-UHFFFAOYSA-N 338.451 3.132 0 30 EGAC CC[C@@H]1CO[C@@](Cn2cncn2)(c2cc3cc(Cl)ccc3o2)O1 33877862 GKGMLPKHSHONGE-CZUORRHYSA-N 333.775 3.356 0 30 EGAC CCn1c(O)nc2ccccc2c1=NC(=O)c1cccc(Cl)c1 253498076 RPOMUFOQJMPAPB-UHFFFAOYSA-N 327.771 3.156 0 30 EGAC CC(=O)Oc1ccc(OC(C)=O)c2c1C[C@@H]1C(C)(C)CCC[C@@]1(O)C2 13407993 CUZAKQSRNZLQPF-UYAOXDASSA-N 346.423 3.193 0 30 EGAC O=C(CNC(=O)c1cnccc1C(F)(F)F)c1cccc(Cl)c1 77658 DVVZGKNLWYTUCV-UHFFFAOYSA-N 342.704 3.367 0 30 EGAC O=C1Cc2cc(Cl)ccc2N1C(=O)Oc1ccc([N+](=O)[O-])cc1 141476589 HIPJMNXEGAGRNH-UHFFFAOYSA-N 332.699 3.336 0 30 EGAC O=C(CSC1=NN[C@H](c2ccccn2)S1)Nc1ccccc1 127371 QQXUHMOOSXZQGF-AWEZNQCLSA-N 330.438 3.060 0 30 EGAC COC(=O)c1cccc(NC(=O)NC(=O)c2ccccc2Cl)c1 143522 WBHFNWJJAQUQTM-UHFFFAOYSA-N 332.743 3.089 0 30 EGAC COC(=O)c1ccc2c(c1)CC[C@@]1(CCCN(CC3CCC3)C1=O)C2 585164117 HTOVZKPAKKPPKF-NRFANRHFSA-N 341.451 3.371 0 30 EGAC CC(C)(C)OC(=O)N1CC(Cc2ccsc2Cl)(C(=O)O)C1 688038165 IWTQRKYVQDPTMN-UHFFFAOYSA-N 331.821 3.266 0 30 EGAC CC(C)(C)C(=O)Nc1nc(Cl)c2c(Br)c[nH]c2n1 36422870 YKGYURDBDLXVAZ-UHFFFAOYSA-N 331.601 3.358 0 30 EGAC CC(C)(C)N1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 87492706 CKBXHVBWXOXFGK-UHFFFAOYSA-N 341.421 3.310 0 30 EGAC COC(=O)c1ccc2c(c1)C[C@H](c1cccnc1Br)O2 22003015 GSDKJAJTNBSBJB-CYBMUJFWSA-N 334.169 3.307 0 30 EGAC O=C(N[C@H]1CC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 685949420 QWJJKAORVUYVPU-AEFFLSMTSA-N 337.375 3.388 0 30 EGAC COC(=O)C[C@@H]1COc2ccccc2N1C(=O)C=Cc1ccccc1 2265269965 FYWRPSAPXXMRQK-MRXNPFEDSA-N 337.375 3.057 0 30 EGAC O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 4334841 PYKFWFWJYHDRGK-ZDUSSCGKSA-N 346.789 3.466 0 30 EGAC Cc1cn(CCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 119349 YIXITBKPSIKFLB-UHFFFAOYSA-N 336.391 3.385 0 30 EGAC CN(C)/C=C1\N=C(SCc2c(Cl)cccc2Cl)NC1=O 33363569 DWMZOXWRIXFOIX-WDZFZDKYSA-N 330.240 3.115 0 30 EGAC COC(=O)c1c(NS(=O)(=O)c2ccccc2Cl)csc1C 82690 FFYXCZLHXJGNAN-UHFFFAOYSA-N 345.829 3.297 0 30 EGAC Cc1cc(C(F)(F)F)cc(N(C)N[C@H]2OC(=O)c3ccccc32)n1 142872 NDEGXZGSYDORQK-AWEZNQCLSA-N 337.301 3.219 0 30 EGAC Brc1cnc(NC2CCCC2)[nH]c1=NC1CCCC1 504430029 QATIDZKKYWRRDV-UHFFFAOYSA-N 325.254 3.370 0 30 EGAC Cc1ccc2[nH]c3nc(SCC(=O)NCCC(C)C)nnc3c2c1 4861448 XWGGWLJXBXYZKF-UHFFFAOYSA-N 343.456 3.069 0 30 EGAC CC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 1715843 NVVDQMVGALBDGE-PZXGUROGSA-N 338.451 3.255 0 30 EGAC CSc1ncc(-c2nnc(SCc3ccccc3)n2C)n1C 168968 LJVYPGRRDSNNST-UHFFFAOYSA-N 331.470 3.230 0 30 EGAC CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccc(Br)cc1)C2 100244161 AMDBBNUYEDHZLS-KBPBESRZSA-N 338.249 3.196 0 30 EGAC COCc1cc(OC(=O)N(C)C)nc(-c2ccc(C)c(Cl)c2)n1 89793 ACNUGTQFUSRSFH-UHFFFAOYSA-N 335.791 3.312 0 30 EGAC COc1cc(C=CC(=O)NCCc2c[nH]c3ccccc23)ccc1O 2265312928 LWRQDNUXWLIWDB-UHFFFAOYSA-N 336.391 3.254 0 30 EGAC CCCCCn1nc(C(=O)N[C@H](C(=O)O)C(C)C)c2ccccc21 2265384845 HCGKRLHOLBHGBK-HNNXBMFYSA-N 331.416 3.066 0 30 EGAC O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 119376 QGASKGUWFPAEPT-UHFFFAOYSA-N 349.356 3.105 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)OCc1ccccc1 113609514 MCFFCQNSBLVXKS-HNNXBMFYSA-N 334.416 3.312 0 30 EGAC CC[C@@](C)(CCc1ccno1)NC(=O)c1c(OC)cccc1OC 223736672 YJOSPMGLXGJELS-SFHVURJKSA-N 332.400 3.223 0 30 EGAC COC(=O)C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 35571135 ZFZKFNAIFIYOPD-UHFFFAOYSA-N 333.428 3.419 0 30 EGAC CCCNC(=O)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1 3127583 AYCSYSGTAWNVQN-UHFFFAOYSA-N 330.354 3.392 0 30 EGAC Cc1ccc(C(=O)Nc2nccc(-c3ccc4c(c3)OCCO4)n2)cc1 79978 BRUAVFAYGUHBPP-UHFFFAOYSA-N 347.374 3.476 0 30 EGAC COC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 5454833 QKUHVTAMRXSJJP-UHFFFAOYSA-N 340.401 3.092 0 30 EGAC CCN(CC)CCOC(=O)c1ccc(N)cc1OCc1ccccc1 2020799 AZDQFQLRQQYWEW-UHFFFAOYSA-N 342.439 3.346 0 30 EGAC Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[C@@H](N)C1 67540117 MTNNAYCJLWBEHX-CYBMUJFWSA-N 325.334 3.202 0 30 EGAC Cc1ccc(C)n1CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 20223895 DAKVAMQOCRGYKM-UHFFFAOYSA-N 345.874 3.216 0 30 EGAC O=C1CCC(=O)N1CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 138579 YQWKYRCHVORAIO-UHFFFAOYSA-N 340.223 3.243 0 30 EGAC CC(=NNC(=O)c1cn(-c2cccc(C)n2)cn1)c1ccc(C)cc1 4002519 FKAPDOSZPPISFV-UHFFFAOYSA-N 333.395 3.038 0 30 EGAC COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1c(C)nn2C 125154 DCCQIAHPDAAXHS-UHFFFAOYSA-N 330.775 3.191 0 30 EGAC CCOC(=O)C(=CNc1cccc(-c2ccncc2)c1)C(=O)OCC 137314737 YCVBJXPHYHMMRG-UHFFFAOYSA-N 340.379 3.171 0 30 EGAC OCCCCCCNC(=S)Nc1ccc(F)cc1Br 4371484 CBLDUAOPLOURMT-UHFFFAOYSA-N 349.269 3.427 0 30 EGAC FC(F)(F)c1ccncc1-c1nnnn1-c1ccc(Cl)cc1 77779 LWJNOMFPQQBECQ-UHFFFAOYSA-N 325.681 3.397 0 30 EGAC CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(C)cc21 254816076 LDSNMTMLMSBCKX-UHFFFAOYSA-N 342.782 3.462 0 30 EGAC COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(C)=O)cc1 19866080 IWUVFBGTUYHJKA-HXUWFJFHSA-N 341.407 3.206 0 30 EGAC biogenic CNC[C@H]1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1 4626718 KYXSTSXVEXKFJI-KRWDZBQOSA-N 346.814 3.464 0 30 EGAC O=C(NC(=S)Nc1ccccc1Cl)c1ccc2nonc2c1 171111 LJLDKZWVRXBXCW-UHFFFAOYSA-N 332.772 3.003 0 30 EGAC CCC(=O)OCCN(CCOC(=O)CC)c1cccc(Cl)c1 199979856 WEOZRYCVSFCAPG-UHFFFAOYSA-N 327.808 3.053 0 30 EGAC CC[C@](C)(CCc1ccno1)NC(=O)c1c(OC)cccc1OC 2555386 YJOSPMGLXGJELS-GOSISDBHSA-N 332.400 3.223 0 30 EGAC CC(=O)[C@@H](c1ccccc1)N1CCN(CCOc2ccccc2)CC1 33854337 MJDBLKBXDHXADL-NRFANRHFSA-N 338.451 3.013 0 30 EGAC Cn1cnc2cc(NC(=O)c3cc4ccccc4c(=O)s3)ccc21 888090492 DAIGVNPSVNBAPP-UHFFFAOYSA-N 335.388 3.401 0 30 EGAC COc1cc2c(cc1OC)[C@@]13C[C@H](OC)C=CC1=CCN3CCC2 15217668 FCYJGRFDMUVIHS-OXQOHEQNSA-N 327.424 3.062 0 30 EGAC biogenic O=C(O)c1ccccc1C(=O)N(Cc1ccccn1)Cc1ccccn1 118304 ZBEVGAXOTRDKJI-UHFFFAOYSA-N 347.374 3.017 0 30 EGAC COC(=O)c1cnn(-c2c(Cl)cccc2Cl)c1C(OC)OC 124108 PHQVGRIHLUMAJF-UHFFFAOYSA-N 345.182 3.257 0 30 EGAC CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc(OC(F)(F)F)c2)C1 95642318 UCVHIGJDSKSIIS-CYBMUJFWSA-N 346.349 3.467 0 30 EGAC CCOC(=O)c1cc(Sc2ccccc2N)cc(C(=O)OCC)n1 127748 QPCLPDIJSADMHR-UHFFFAOYSA-N 346.408 3.168 0 30 EGAC COC(=O)C(=CNc1cc(C(F)(F)F)ccc1Cl)n1cncn1 2265276887 JUHBDBPWRZANJE-UHFFFAOYSA-N 346.696 3.034 0 30 EGAC CC(C)c1cccc(OC(=O)N(C)[S@](=O)OCc2ccccn2)c1 5314910 KOOFYRWINFBIHW-DEOSSOPVSA-N 348.424 3.431 0 30 EGAC CC(C)(C)OC(=O)N[C@H]1CNc2ccc(Br)cc2C1 113889440 UHDPFPMLNYYFAL-LLVKDONJSA-N 327.222 3.310 0 30 EGAC CC(C)(C)OC(=O)N[C@@H]1CNc2ccc(Br)cc2C1 113889439 UHDPFPMLNYYFAL-NSHDSACASA-N 327.222 3.310 0 30 EGAC NNc1c(Br)cc(Br)cc1Br 20504585 IQWLAOGVNASYJM-UHFFFAOYSA-N 344.832 3.260 0 30 EGAC in-vitro Cc1snnc1C(=O)Nc1c(C(C)(C)C)nn(C)c1C(C)(C)C 147243 UVIBMWJZFFOTEK-UHFFFAOYSA-N 335.477 3.427 0 30 EGAC COc1nccc(C(F)(F)F)c1C(=O)NC(=O)Nc1ccccc1 77855 BQDKVXFAQJWIKE-UHFFFAOYSA-N 339.273 3.071 0 30 EGAC Nc1nc2c(-c3ccc(Br)cc3)nnn2c2ccccc12 138841 VJSJQHOXJLXWRP-UHFFFAOYSA-N 340.184 3.289 0 30 EGAC Cc1ccc(NC(=S)NCCCNC(=O)c2cccs2)c(C)c1 3466814 IQRRIPJBCXNZTF-UHFFFAOYSA-N 347.509 3.471 0 30 EGAC C[C@@H](Oc1cccc(Cl)c1)c1ccnc2nc(N=CN(C)C)nn12 261156925 QCIDABMIGABSSL-LLVKDONJSA-N 344.806 3.139 0 30 EGAC O=C1c2ccccc2C(=O)N1CNc1ccccc1Br 1045818 WXZICOQJOQDZPG-UHFFFAOYSA-N 331.169 3.115 0 30 EGAC Oc1ccc(I)nc1NCc1ccccc1 306969345 RYWCOCPJVOIRBV-UHFFFAOYSA-N 326.137 3.004 0 30 EGAC CC(C)(C)OC(=O)NC(=O)c1cccc(C2C[C@@H]3CC[C@H](C2)N3)c1 1565504543 KCFZKGHLMFRIGZ-MQVJKMGUSA-N 330.428 3.350 0 30 EGAC CC(=O)O[C@H]1C[C@@]2(C)OC(C)(C)[C@@H]1C[C@H]1[C@H]2[C@H](OC(C)=O)C[C@H]1C 15160939 UVUBMUALYRCMQK-AALMHMMRSA-N 338.444 3.100 0 30 EGAC CC(C)(C)OC(=O)N1CC(C2CN(C(=O)OCc3ccccc3)C2)C1 503852388 YPXDMWURVIVRES-UHFFFAOYSA-N 346.427 3.122 0 30 EGAC O=C(Nc1ccc(OCCN2CCOCC2)cc1)OC1CCCCC1 33636940 TYLQJPFHFWXLLI-UHFFFAOYSA-N 348.443 3.279 0 30 EGAC O=C(O)CCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 109560 YBHLQIFTUNFVDM-OAHLLOKOSA-N 340.301 3.021 0 30 EGAC OCCN1CC[C@H](Cc2ccccc2)C[C@H]1Cc1ccc(O)cc1 2265364201 ZCKAVMIJYNVXDK-WOJBJXKFSA-N 325.452 3.250 0 30 EGAC CC(=O)Oc1cccc(CC(=O)c2cncc(Br)c2)c1 197156450 GOQPPFPDKXBPRJ-UHFFFAOYSA-N 334.169 3.195 0 30 EGAC O=C(Nc1ccccc1N1CCCCC1)C1=CCCC[C@@H]1C(=O)O 153059 TXFIHWNQICKWKX-HNNXBMFYSA-N 328.412 3.427 0 30 EGAC O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1Cc1cccnc1 100208353 FUNUQTHCNZVWSN-AWEZNQCLSA-N 332.812 3.155 0 30 EGAC O=C(OCC1CC1)c1cnc(N2CCCCC2)nc1C(F)(F)F 82498 RLBGXMSYDICJCQ-UHFFFAOYSA-N 329.322 3.053 0 30 EGAC c1cc(-c2c[nH]c3nccc(N4CCC[C@]5(CCCCN5)C4)c23)ncn1 2325748578 UELSMLDRSQFVHG-HXUWFJFHSA-N 348.454 3.132 0 30 EGAC C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 4335005 QXVACSGCBBJXKT-VIFPVBQESA-N 341.194 3.021 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(CCc2cccnc2)no1 90635836 SRJDMOLPIZVSAT-CQSZACIVSA-N 344.415 3.322 0 30 EGAC Cn1nc(C(F)(F)F)c(C=NOC(=O)c2ccccc2)c1Cl 254738824 MAEYWQBMVWMZJZ-UHFFFAOYSA-N 331.681 3.283 0 30 EGAC CC(=NO)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 254413785 BZYBVEXQKZBCRX-MRVPVSSYSA-N 336.701 3.161 0 30 EGAC Ic1nn([C@H]2CCCCO2)c2ccccc12 390065152 YUBLZHLSCACZQU-LLVKDONJSA-N 328.153 3.340 0 30 EGAC O=C(NCc1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1 113554 BSZXQWPBTLEORN-UHFFFAOYSA-N 337.297 3.450 0 30 EGAC CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(OC(F)(F)F)c2)C1 95642317 UCVHIGJDSKSIIS-ZDUSSCGKSA-N 346.349 3.467 0 30 EGAC COC(=O)c1cccc(NC(=O)NC(=O)c2ccc(Cl)cc2)c1 143530 VRTCTQVDMCEBDR-UHFFFAOYSA-N 332.743 3.089 0 30 EGAC C[C@H](F)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1615651447 MQYRWRJZGQHWFR-APPDUMDISA-N 343.354 3.336 0 30 EGAC Cn1cnc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1 153368 QRRGDOSBIRJGNX-UHFFFAOYSA-N 329.381 3.013 0 30 EGAC CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(C(F)(F)F)cc1 3078780 YOQHUYDKXGEJTF-UHFFFAOYSA-N 347.337 3.352 0 30 EGAC COc1cccc(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C 92822 XWUBZMONFYKNON-UHFFFAOYSA-N 328.368 3.283 0 30 EGAC CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 13547860 MWFVCWVMFCXVJV-USCZNDJGSA-N 332.484 3.486 0 30 EGAC CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]21 100393319 GOVFOZKNRWQPFU-KQURDKLPSA-N 337.297 3.287 0 30 EGAC OCCN1CC[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(O)cc1 2265364198 ZCKAVMIJYNVXDK-PMACEKPBSA-N 325.452 3.250 0 30 EGAC O=[N+]([O-])c1ccc([C@@H](O)CC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 117701307 UWHDPSHAHWBHHT-HOTGVXAUSA-N 332.312 3.050 0 30 EGAC Nc1nc(SCc2cccc(C(F)(F)F)c2)ncc1C(=O)O 146440 VAAFICIVUZKXQU-UHFFFAOYSA-N 329.303 3.068 0 30 EGAC COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CC(C)(C)CC(=O)O)CC2 153181 LGHJVFVUOCVRHX-GFCCVEGCSA-N 349.427 3.041 0 30 EGAC CC(=O)Oc1ccc(OC(C)=O)c2c1C[C@@H]1C(C)(C)CCC[C@]1(O)C2 13407987 CUZAKQSRNZLQPF-QUCCMNQESA-N 346.423 3.193 0 30 EGAC NCCc1c(Sc2ccccc2[N+](=O)[O-])[nH]c2ccc(O)cc12 218894181 PSKMWGNUJFDASO-UHFFFAOYSA-N 329.381 3.434 0 30 EGAC Cc1c([N+](=O)[O-])cc(C(C)(C)C)c([C@H](Cl)C(=O)O)c1[N+](=O)[O-] 96334123 CZGSDKLOHXHPSB-JTQLQIEISA-N 330.724 3.473 0 30 EGAC O=C(N[C@H](C(=O)O)C(F)F)OCC1c2ccccc2-c2ccccc21 216809714 OQKGWVQUSYYCCB-HNNXBMFYSA-N 347.317 3.243 0 30 EGAC NC(=O)NN=C(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 254307617 HCMZEAIMLAJJPB-UHFFFAOYSA-N 342.708 3.175 0 30 EGAC O=C(OCCCCCCOC(=O)c1cccnc1)c1cccnc1 2007238 OBKMIDVZRUPSJJ-UHFFFAOYSA-N 328.368 3.051 0 30 EGAC CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(Br)c2C1 4350324 OWYUMCHJYQQOJJ-UHFFFAOYSA-N 337.260 3.069 0 30 EGAC O=C1[C@@H]2CN(Cc3ccccc3)C[C@@H]2[C@@H]2CN(Cc3ccccc3)C[C@H]12 1565504666 XPIMMBVOSAKJLT-COPRSSIGSA-N 346.474 3.066 0 30 EGAC O=C(O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2 198008715 RFLLOBSXBJAGST-UHFFFAOYSA-N 340.138 3.154 0 30 EGAC in-vitro O=C(O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccccc1)C2 95616878 MZOAMXSQKPIZLB-UHFFFAOYSA-N 332.359 3.395 0 30 EGAC CCC1=C(CC(=O)O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C1 38636047 MRYCPUFOGFAHTC-MRXNPFEDSA-N 331.412 3.188 0 30 EGAC Cc1nn(-c2ccc(Br)cc2)c(=O)n1-c1ccccc1 32208777 HIUAYIKXFDHXLH-UHFFFAOYSA-N 330.185 3.094 0 30 EGAC COc1ccc(C=C(C(=O)OCC(C)C)C(=O)OCC(C)C)cc1 33606307 AAUIXMHRSOGWSE-UHFFFAOYSA-N 334.412 3.477 0 30 EGAC O=C(Nc1c[nH]nc1C(=O)O)OCC1c2ccccc2-c2ccccc21 253187690 VEQCSWDCGNPZCD-UHFFFAOYSA-N 349.346 3.469 0 30 EGAC COc1cccc(SCC(=O)N2CCN(c3ccccc3)CC2)c1 119383 JAEMURDWWXGVDC-UHFFFAOYSA-N 342.464 3.136 0 30 EGAC C[C@H](CC1(C)Oc2ccccc2O1)N[C@H](C)[C@H](O)c1ccc(O)cc1 33891064 GHZMIKHRJGFMDC-LPMFXHHGSA-N 343.423 3.370 0 30 EGAC CC(C)c1ccc([C@@H](N)CNC(=O)c2scc3c2OCCO3)cc1 655413970 BOHNEZXOUOJTNO-AWEZNQCLSA-N 346.452 3.073 0 30 EGAC O=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F 100912116 MPQDGDVBZJSJIA-UHFFFAOYSA-N 330.049 3.106 0 30 EGAC CC(C)(C)OC(=O)N1CC(=C(Br)Br)C1 584616708 UNYQBRFGPDKQPF-UHFFFAOYSA-N 327.016 3.239 0 30 EGAC CN(C)CCNC(=O)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 2021519 WUDVMOAOYVMPNR-KRWDZBQOSA-N 331.847 3.171 0 30 EGAC CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(Cl)n2)CC1 95616876 HLQUMCNAKILJMC-UHFFFAOYSA-N 332.231 3.446 0 30 EGAC CCO[C@H](C)O[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 71609866 CZTZICYNMYGUNU-QEJZJMRPSA-N 335.400 3.273 0 30 EGAC in-vitro COC(=O)c1ccc2c(c1)C[C@@H](c1cccnc1Br)O2 22003021 GSDKJAJTNBSBJB-ZDUSSCGKSA-N 334.169 3.307 0 30 EGAC CCOC(=O)C(=CNc1cc(C(F)(F)F)ccc1F)C(=O)OCC 3126096 ZBSVCGSYYLJRCV-UHFFFAOYSA-N 349.280 3.267 0 30 EGAC Cc1cc(Br)ccc1Nc1ncnc(-n2cccc2)n1 89670 IJDCGLHKCZOJOZ-UHFFFAOYSA-N 330.189 3.477 0 30 EGAC CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2265351371 GKEOVXGMIWMMQG-MNUNCRTOSA-N 347.499 3.074 0 30 EGAC CN(C(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1ccc(Cl)cc1 13467819 GEZIKCNMJOPGMX-UHFFFAOYSA-N 330.693 3.324 0 30 EGAC O=C1O[C@@H](CO)CN1c1ccc(OCc2cccc(Cl)c2)cc1 33853203 PFINJTNHNFCVOD-MRXNPFEDSA-N 333.771 3.237 0 30 EGAC CC(=O)Oc1ccc(OC(C)=O)c2c1C[C@H]1C(C)(C)CCC[C@@]1(O)C2 13407997 CUZAKQSRNZLQPF-AZUAARDMSA-N 346.423 3.193 0 30 EGAC COc1cc(Br)c(CCC(=O)O)c(Br)c1 72232974 ZMKTYUCNQOVLNB-UHFFFAOYSA-N 337.995 3.237 0 30 EGAC CC[C@@H]1NC(=O)N(c2ccc(Oc3ccc(C)c(OC)c3)nc2)C1=O 117694642 AMAOXEGBJHLCSF-AWEZNQCLSA-N 341.367 3.026 0 30 EGAC Cc1ccc(S(=O)(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 86347 LXPYSWXCYFYRAT-UHFFFAOYSA-N 344.411 3.362 0 30 EGAC CN1CCC([C@@]2(O)c3ccccc3CC(=O)c3sccc32)CC1 77300551 LZPRFURMCOCGDP-LJQANCHMSA-N 327.449 3.065 0 30 EGAC in-vitro Cc1cc(I)sc1I 96333714 ZWSORUIBRDJUJO-UHFFFAOYSA-N 349.962 3.266 0 30 EGAC O=C(O)[C@H]1N(C(=O)OCC2c3ccccc3-c3ccccc32)CC12CC2 1535645819 CWAUVTWRMYDOOU-GOSISDBHSA-N 349.386 3.485 0 30 EGAC Cc1nn(C)c(O)c1C(=O)c1c(-c2ccccc2Cl)noc1C 15923426 IWBMODHOOVPVSJ-UHFFFAOYSA-N 331.759 3.282 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@@]1(COCc1ccccc1)C(=O)O 114428786 GDEBINCKVAQTKX-GOSISDBHSA-N 335.400 3.058 0 30 EGAC Cc1ccc(N(CCCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 113873123 ATJRYDAJVHNNCC-UHFFFAOYSA-N 347.436 3.364 0 30 EGAC CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1cccc(Br)c1 536954614 WFAZICBXBANFPD-STQMWFEESA-N 341.249 3.458 0 30 EGAC CC(C)(C)OC(=O)NCCNC(=S)NC1CCCCCCC1 4299369 UWCXZJMCTJWPSL-UHFFFAOYSA-N 329.510 3.088 0 30 EGAC COc1ccc2c(c1)CCc1sc(NC(=O)c3cc(C)on3)nc1-2 83000 UEJZBOXHGQWTPV-UHFFFAOYSA-N 341.392 3.466 0 30 EGAC O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)Cc1ccco1 125326 WSYAKARKSRRTDY-UHFFFAOYSA-N 338.772 3.098 0 30 EGAC CCOC(=O)NC(NNc1ccccc1)(C(F)(F)F)C(F)(F)F 4336738 POWRODHAXRYOBJ-UHFFFAOYSA-N 345.243 3.170 0 30 EGAC O=C([C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)N1CCCC1 54848049 SYZXMMINPFGXOJ-GFCCVEGCSA-N 347.768 3.345 0 30 EGAC CCOC(=O)CN1N=C(C=Cc2ccc(C(C)C)cc2)CCC1=O 2265276317 RPCZSUIMRWATDL-UHFFFAOYSA-N 328.412 3.365 0 30 EGAC COC(=O)CSc1cc(C(F)(F)F)nc2cc(C(C)(C)C)nn12 169714 WCWUYDNAORWISN-UHFFFAOYSA-N 347.362 3.311 0 30 EGAC Cc1nc(C(=N)NC(=O)c2ccc(OC(F)(F)F)cc2)cs1 20230223 BZPNKIOZHSQLNC-UHFFFAOYSA-N 329.303 3.105 0 30 EGAC CC(=O)Nc1nc(C)c(Oc2cccc(C(F)(F)F)c2)c(O)n1 13469667 SDNQPRBTDVFGCW-UHFFFAOYSA-N 327.262 3.260 0 30 EGAC COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1c(C)noc1C)CC2 151265 IJDVNCUMHBFKGZ-LLVKDONJSA-N 330.384 3.068 0 30 EGAC Cn1nc(I)c2ccc(C(F)(F)F)cc21 206070109 AUNBPOKTYUPXHC-UHFFFAOYSA-N 326.059 3.197 0 30 EGAC CCCCCCCC[C@@H](C/C=C/[C@@H](CC=O)C(=O)O)NCC(=O)O 205061896 YHPBPZGMCOXTPK-FHQWLQQXSA-N 341.448 3.016 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccccc2)C[C@@H]1N 71791417 CSXFKPWYLDEBEW-HZPDHXFCSA-N 348.443 3.052 0 30 EGAC CC(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 171545 KLFFZVDLVZDMGL-UHFFFAOYSA-N 339.317 3.481 0 30 EGAC Cc1ccc(SCC(=O)Nc2c(Br)cnn2C)cc1 116484 HVFGNTQJIYQCIS-UHFFFAOYSA-N 340.246 3.222 0 30 EGAC Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCCc3ccccc32)cc1 152235 HAIWZUBMWIKDPJ-QGZVFWFLSA-N 344.436 3.061 0 30 EGAC CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1cccc(Br)c1 536954610 WFAZICBXBANFPD-QWHCGFSZSA-N 341.249 3.458 0 30 EGAC O=S1(=O)CCC(=NNc2ccc(Cl)cc2)c2ccsc21 254514076 QNOHKWLTLUIGRJ-UHFFFAOYSA-N 326.830 3.395 0 30 EGAC COc1ccc(OCC(F)(F)F)c(C(=O)Nc2cccnc2)c1 142506 BQJIYCPCGLVYIS-UHFFFAOYSA-N 326.274 3.284 0 30 EGAC O=C(c1ccccc1)c1nn(-c2ccc(C(F)(F)F)cc2)ccc1=O 123196 GSXCOGAWVBOFPW-UHFFFAOYSA-N 344.292 3.482 0 30 EGAC O=C(c1cccc(Cl)c1)[C@H](O)Nc1ccc2cccnc2c1O 31573848 VDQQYEICLSMFHC-KRWDZBQOSA-N 328.755 3.207 0 30 EGAC CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]12 215701116 GOVFOZKNRWQPFU-VZLIPTOUSA-N 337.297 3.287 0 30 EGAC O=C(O)c1cccc2cccc([S@](=O)c3ccccc3CO)c12 133989 OPOVHZXRINWAGD-QHCPKHFHSA-N 326.373 3.197 0 30 EGAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1cc(F)ccc1O2 95616884 SDYZNABTFSHQNC-AWEZNQCLSA-N 336.407 3.378 0 30 EGAC Cc1ccc(-n2c(=O)[nH]c3c(sc4nc(C)cc(C)c43)c2=O)cc1 159168 UDWIDQZGBWNROE-UHFFFAOYSA-N 337.404 3.214 0 30 EGAC C[C@H](N[C@H](C)CC1(C)Oc2ccccc2O1)[C@@H](O)c1ccc(O)cc1 255974002 GHZMIKHRJGFMDC-BIENJYKASA-N 343.423 3.370 0 30 EGAC CN1CCN(c2ccc(Nc3nc(Cl)c4cc[nH]c4n3)cc2)CC1 91301626 RBEBSZBVRGALMI-UHFFFAOYSA-N 342.834 3.107 0 30 EGAC COC(=O)C1=CO[C@@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12 5752358 WYTGDNHDOZPMIW-APHBMKBZSA-N 348.402 3.405 0 30 EGAC CC(C)(C)OC(=O)NCc1ccccc1I 98181466 BUJONFRBPGWYRQ-UHFFFAOYSA-N 333.169 3.316 0 30 EGAC CCOC(=O)C(=CNc1ccc(OC(F)(F)F)cc1)C(=O)OCC 4347627 ZENIWNYYOVXLDR-UHFFFAOYSA-N 347.289 3.007 0 30 EGAC Cn1nc(C(F)(F)F)c2c1SCCN(C(=O)OC(C)(C)C)C2 1616055439 ANRXOYAXXMNRJD-UHFFFAOYSA-N 337.367 3.282 0 30 EGAC COC(=O)c1cnc(SCc2ccc(C(C)(C)C)cc2)nc1N 146116 ZQMVNZNJKYLWFI-UHFFFAOYSA-N 331.441 3.435 0 30 EGAC O=C(C1=NNC[C@@H]1c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 4336579 MLUAHPRSYJYLJW-QGZVFWFLSA-N 344.370 3.494 0 30 EGAC CC(=O)Nc1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)cc1 76134 PKSVMSIVTAGXDS-UHFFFAOYSA-N 342.779 3.238 0 30 EGAC CC(C)[C@@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 263583931 FPACSTYIXKAHOY-OAHLLOKOSA-N 336.432 3.462 0 30 EGAC Cc1ccc(F)cc1N1C(=O)C[C@@H](Sc2ccccc2N)C1=O 102586 TYFSBIXJYZIGBA-OAHLLOKOSA-N 330.384 3.141 0 30 EGAC Oc1ccc2cc(Br)cc(I)c2n1 2209385538 ALQIQLXWVABRAF-UHFFFAOYSA-N 349.953 3.308 0 30 EGAC O=C(CSc1ncccn1)Nc1ccc(F)cc1C(F)(F)F 172988 UFWQDSJOIUGVJL-UHFFFAOYSA-N 331.294 3.365 0 30 EGAC Cc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 9457 CGYQALAEDMYLCQ-UHFFFAOYSA-N 335.333 3.268 0 30 EGAC Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12 153353 NZEOJVLAZMAUNF-UHFFFAOYSA-N 333.340 3.041 0 30 EGAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)NC2=O 91352936 TYRGQUWQTXOLKR-OAHLLOKOSA-N 330.428 3.265 0 30 EGAC C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 230444265 CZHLKVQGWWCQEG-RQTZUPFWSA-N 336.516 3.358 0 30 EGAC O=C(NCc1ccco1)c1csc([C@H]2COc3ccccc3O2)n1 168650 HBFIGRZWORPLGB-OAHLLOKOSA-N 342.376 3.179 0 30 EGAC Cc1ccc(S(=O)(=O)C(C#N)=Cc2ccc([N+](=O)[O-])cc2)cc1 6131509 PNRFBWVUYRBHQA-UHFFFAOYSA-N 328.349 3.242 0 30 EGAC Cc1ccccc1C(=O)NCC(=O)c1ccc(Br)cc1 166703 WSWBBRHOUZSDMV-UHFFFAOYSA-N 332.197 3.370 0 30 EGAC COc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1 33854698 NTFKFYQMYMGTAH-UHFFFAOYSA-N 326.440 3.286 0 30 EGAC Cc1nc2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2o1 172222 SJSIOFDWMFYCOX-UHFFFAOYSA-N 331.278 3.376 0 30 EGAC O=C(O)CC1(CC(=O)Nc2cccc3nsnc23)CCCCC1 129834 RNGZIQQCMICCLL-UHFFFAOYSA-N 333.413 3.445 0 30 EGAC CC(=O)Nc1ccc(Sc2ccccc2C(=O)O)c(C(=O)O)c1 173200 YLSOFTZYQVRTCY-UHFFFAOYSA-N 331.349 3.193 0 30 EGAC C[C@H]1C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 1554770382 QBVDEQZZGNYBPS-KPZWWZAWSA-N 337.375 3.483 0 30 EGAC COc1cc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc(OC)c1 69602 MOTILUKBDKPZKO-JKSUJKDBSA-N 333.384 3.090 0 30 EGAC NCc1ccc(CNC(=O)C[C@@H]2CCCc3ccccc32)c(F)c1 653224356 SRAYEZHDJKXKFM-INIZCTEOSA-N 326.415 3.411 0 30 EGAC CC(=O)Oc1ccc(OC(C)=O)c2c1C[C@H]1C(C)(C)CCC[C@]1(O)C2 13407990 CUZAKQSRNZLQPF-ICSRJNTNSA-N 346.423 3.193 0 30 EGAC CCOC(=O)c1ccc(C(=O)c2ccc(C(=O)OCC)cc2)cc1 38260030 FEDHHDIXLPGIMX-UHFFFAOYSA-N 326.348 3.271 0 30 EGAC COc1ccc(CNCc2cc(OC)c(OC)c(OC)c2)cc1OC 3138564 VXPMVXBRBVQBSR-UHFFFAOYSA-N 347.411 3.019 0 30 EGAC COC(=O)c1c(NS(=O)(=O)c2cccc(Cl)c2)csc1C 82686 ADWTXVFCZXWMDS-UHFFFAOYSA-N 345.829 3.297 0 30 EGAC CN(C)c1ccc(NC(=O)C[C@H](CC(=O)O)c2ccccc2)cc1 152778 RYBRBOYMNZGHQX-OAHLLOKOSA-N 326.396 3.340 0 30 EGAC COC(=O)CCCOc1ccc(C=O)cc1OCc1ccccc1 1565503636 JZVVDGJWFYNIDK-UHFFFAOYSA-N 328.364 3.410 0 30 EGAC NCCCCC[C@H](N)OC(=O)CCCCCCCCCCC(=O)O 299803570 ZHDMNOQLWLZUSA-MRXNPFEDSA-N 344.496 3.319 0 30 EGAC Cc1cc(Br)cc2c(I)n[nH]c12 96304876 CRWIJLBPUCHBNL-UHFFFAOYSA-N 336.958 3.238 0 30 EGAC CCOC(=O)C1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1 153732 ZXSVYMSVMLCEFL-UHFFFAOYSA-N 328.412 3.200 0 30 EGAC COC(=O)c1sccc1OCc1nnc(-c2ccc(OC)cc2)o1 127419 PJPNTKQUDWZAMV-UHFFFAOYSA-N 346.364 3.172 0 30 EGAC CCCC[S@](=O)c1sc(C(=O)OCC)c2c1C(=O)CCC2 4350375 WNMMHENURKNMMW-OAQYLSRUSA-N 328.455 3.352 0 30 EGAC COc1cc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)cc1OC 116848 ZQRQSTGZQGNACM-UHFFFAOYSA-N 335.743 3.308 0 30 EGAC CC(=O)Nc1cccc(OCCCNC(=O)c2ccc(Cl)cc2)c1 4344427 RTRBNHCKLYEWMH-UHFFFAOYSA-N 346.814 3.497 0 30 EGAC C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(-c4csnn4)cc3)C(=O)[C@@H]2C1 4389499 LWUULWQUPCWGFM-DDTOSNHZSA-N 327.409 3.131 0 30 EGAC Cc1ccc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)ccc2n1 158210 OQVPFMJZGIBMKV-OAHLLOKOSA-N 349.390 3.123 0 30 EGAC Cc1cc(Br)ccc1-n1cc(C(=O)C(F)(F)F)nn1 53647986 OAYDAEJOXYCYCJ-UHFFFAOYSA-N 334.095 3.083 0 30 EGAC in-vitro CC1(C)OC2=C(C[C@@H]1O)C[C@@H]1C=C(c3cc(O)cc(O)c3)OC1=C2 5963913 OXSJQIXSXQJWOZ-MGNBDDOMSA-N 328.364 3.187 0 30 EGAC Cc1c(C(=O)NC2Cc3ccccc3C2)cnn1-c1ccc(F)cc1 146397 LGKWQGKQYWZAMI-UHFFFAOYSA-N 335.382 3.217 0 30 EGAC O=S(=O)(NCC[C@@H]1CC1(Cl)Cl)c1ccc(Cl)cc1 142228 ZJWXRQYJHLDWIV-MRVPVSSYSA-N 328.648 3.202 0 30 EGAC Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F 123249 DGUVBUSWADJTBW-UHFFFAOYSA-N 335.738 3.462 0 30 EGAC COc1ccc(C=CS(=O)(=O)Nc2ccc(C)cc2)cc1OC 2265271995 XRJSNEFXSWZKOL-UHFFFAOYSA-N 333.409 3.425 0 30 EGAC CCOC(=O)CN(C)CCC(=O)c1ccc(-c2ccccc2)cc1 58979752 ATSXRZDVUGWGQG-UHFFFAOYSA-N 325.408 3.421 0 30 EGAC Nc1ccc(Oc2ccc3cc(S(=O)(=O)O)ccc3c2)c(N)c1 138491797 RYTNBKZCNDXASE-UHFFFAOYSA-N 330.365 3.043 0 30 EGAC CSc1c(-c2ccccc2)c(N)nn1S(=O)(=O)c1ccccc1 69209 CLNASGNLHPAVRN-UHFFFAOYSA-N 345.449 3.091 0 30 EGAC CCc1ccc(N2C(=O)C[C@H](Sc3ccccc3N)C2=O)cc1 97767 FIQAPNFFUSUQJG-INIZCTEOSA-N 326.421 3.255 0 30 EGAC O=C1C(=O)[C@H](Br)CCCCCC[C@H]1Br 100127110 AZSTUXAYQBCYGZ-HTQZYQBOSA-N 326.028 3.006 0 30 EGAC Cc1ccc2[nH]c3c(c(=O)c2c1)Cc1[nH]c2ccc(C)cc2c(=O)c1C3 5419981 XZDLFPWBCHSYFJ-UHFFFAOYSA-N 342.398 3.481 0 30 EGAC Cc1cc(C)n2nc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)cc2n1 38805330 KINSSIGZOGCUEM-SECBINFHSA-N 341.440 3.180 0 30 EGAC CC(C)(C)OC(=O)N1CCC(CO)(COCc2ccccc2)CC1 147624118 OKGKRWJDTXNSJU-UHFFFAOYSA-N 335.444 3.213 0 30 EGAC CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]21 252428472 GOVFOZKNRWQPFU-GSVCSZOMSA-N 337.297 3.287 0 30 EGAC O=C(O)c1ccccc1NS(=O)(=O)c1ccc2cc(O)ccc2c1 201199596 TZOSLTLPZLPRTN-UHFFFAOYSA-N 343.360 3.044 0 30 EGAC O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c([N+](=O)[O-])c1 111874058 FQJQUPMBCPEBJW-UHFFFAOYSA-N 349.215 3.063 0 30 EGAC Cc1cc(NC(=O)NC[C@H](O)c2ccccc2)c(C(F)(F)F)o1 152416 XLBWFVBQDVLPHY-LBPRGKRZSA-N 328.290 3.462 0 30 EGAC Nc1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1 116135 IILHYEMNPOJDLC-UHFFFAOYSA-N 331.681 3.088 0 30 EGAC Cc1nc(-c2cccc(NC(=O)c3cccc4nsnc34)c2)no1 12340977 SPRJQRINPKHMDD-UHFFFAOYSA-N 337.364 3.302 0 30 EGAC CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1 137335623 QATKAZYZMFCOBM-UHFFFAOYSA-N 345.365 3.345 0 30 EGAC O=C(NCc1nc2ccccc2s1)c1cccc2nsnc12 12340957 RQXRRUDWPPTPAS-UHFFFAOYSA-N 326.406 3.231 0 30 EGAC O=C1NC(=O)c2c(Cc3ccc(Br)cc3F)cccc21 28278291 GZJXSRSENJQZIV-UHFFFAOYSA-N 334.144 3.063 0 30 EGAC CCCSc1nc(=O)c2cccnc2n1-c1ccc(OC)cc1 3120009 QTZSXCSNHYFJPL-UHFFFAOYSA-N 327.409 3.291 0 30 EGAC CN(C)/C=C1/SC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 100255522 KKJQZQUYNZGBMV-JXMROGBWSA-N 332.303 3.188 0 30 EGAC Cc1ccc(Sc2ncccc2C2=N/C(=C\N(C)C)C(=O)O2)cc1 132017 AJXGQGOZRLJXHC-PTNGSMBKSA-N 339.420 3.248 0 30 EGAC COc1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc(OC)c1 69610 MOTILUKBDKPZKO-CVEARBPZSA-N 333.384 3.090 0 30 EGAC O=S(=O)(c1ccc2c(c1)CCO2)N1CC=C(c2ccccc2)CC1 130021 WMTMJFCTHLSICW-UHFFFAOYSA-N 341.432 3.100 0 30 EGAC CC(C)(C)OC(=O)N1CCC(CNCc2ccccc2[N+](=O)[O-])CC1 378925761 SVPJWWCSLKEMBQ-UHFFFAOYSA-N 349.431 3.332 0 30 EGAC N#Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1Cl 96336552 TYIMDFSFJLHLCG-UHFFFAOYSA-N 332.703 3.469 0 30 EGAC CCOC(=O)C(=CNc1cc(C)ccc1-n1cccc1)C(=O)OCC 100254893 VYFJEFAMMBJICT-UHFFFAOYSA-N 342.395 3.208 0 30 EGAC Cc1nc2c(=O)n(-c3cccc(C(F)(F)F)c3)nc(C)c2s1 123857 YTICKLNPRAEKMU-UHFFFAOYSA-N 325.315 3.478 0 30 EGAC Cc1ccc(F)cc1N1C(=O)C[C@H](Sc2ccccc2N)C1=O 100393843 TYFSBIXJYZIGBA-HNNXBMFYSA-N 330.384 3.141 0 30 EGAC O[C@@]1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C2=NCCN21 27876275 ALWSRDVAPSKHSV-QGZVFWFLSA-N 333.218 3.457 0 30 EGAC Nc1nc2cc(I)ccc2cc1Br 1857797579 XIWUGFMDSFJHQD-UHFFFAOYSA-N 348.969 3.184 0 30 EGAC Cc1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1 68641 OGXFOMYILQZEMT-UHFFFAOYSA-N 336.786 3.477 0 30 EGAC O=c1[nH]nc(SCc2nc3ccccc3s2)n1Cc1ccco1 4334524 VOLYIZDFBJYHJA-UHFFFAOYSA-N 344.421 3.115 0 30 EGAC COc1cccc2c(=O)n3c(nc12)[C@@H](c1ccccc1N(C)C)CC3 13360817 VCUMKFKKKDCQKO-CQSZACIVSA-N 335.407 3.007 0 30 EGAC biogenic COC(OC)c1ccc2c(N)c(C(=O)Nc3ccccc3)sc2n1 123530 YTXKYXLXUFIKFD-UHFFFAOYSA-N 343.408 3.422 0 30 EGAC CC(C)(C)OC(=O)N1CCN(c2cc(Cl)nc(Cl)c2)CC1 95616877 BXNNCNQQROWTKE-UHFFFAOYSA-N 332.231 3.446 0 30 EGAC Cc1cc(Br)c(N2C(=O)CCC2=O)c(Br)c1 82456 VVMUITDDLSBNIZ-UHFFFAOYSA-N 347.006 3.173 0 30 EGAC Cc1ccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 154671 QIWIWOMNKSGDNR-LLVKDONJSA-N 326.421 3.174 0 30 EGAC CS(=O)(=O)c1cccc(Cc2cccc(Br)c2)c1 117432490 AEDBFXUYEQOIBR-UHFFFAOYSA-N 325.227 3.443 0 30 EGAC C[C@H](O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 33986071 SWHHMTKXNOSPLE-CJCIAWFASA-N 336.516 3.358 0 30 EGAC CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1C(=O)O 82903 ZQMOOVPZZOFNCK-UHFFFAOYSA-N 347.392 3.438 0 30 EGAC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)C(=O)[C@@]4(C)CC[C@@H]32)C1 96332032 ZUPQIYNHBIMJPO-TYINLYHXSA-N 346.467 3.421 0 30 EGAC NC(=O)CN[C@H]1CCC[C@H]1c1cccc(OCc2ccccc2F)c1 504753627 TZMWRNRFGMZOCS-HKUYNNGSSA-N 342.414 3.116 0 30 EGAC C[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)N(C)C 217 PCXMKBOWWVXEDT-HNNXBMFYSA-N 334.423 3.428 0 30 EGAC in-man Cc1cc(Br)c(C(=O)O)cc1I 115663416 BLSDRZYRALDRRF-UHFFFAOYSA-N 340.942 3.060 0 30 EGAC COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1CCC2 2039594 IPDJRYUVROTJTO-UHFFFAOYSA-N 342.391 3.237 0 30 EGAC CCN(CC)C(=S)Oc1c(C)c(C)nc(=S)n1CCCOC 4390671 LWOCNQIHOMQTBS-UHFFFAOYSA-N 343.518 3.271 0 30 EGAC O=C(OCCn1ncc2ccccc2c1=O)c1ccc(F)cc1Cl 69815 ZQKRANRDJGTLAL-UHFFFAOYSA-N 346.745 3.046 0 30 EGAC S=C(NC1CC1)N1CCCN(Cc2cccc3ccccc23)CC1 66637 HJRLTJORQZUQIV-UHFFFAOYSA-N 339.508 3.384 0 30 EGAC CCOC(=O)c1cnc2c(c(C3CC3)nn2C)c1N1CCCCC1 20432627 UTXSXDZEADBGQX-UHFFFAOYSA-N 328.416 3.013 0 30 EGAC Cc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2cc(C3CC3)nn12 96244 LUXVSZQHQOXZIT-UHFFFAOYSA-N 347.827 3.401 0 30 EGAC Nc1ccccc1SC[C@H](O)COc1cccc(C(F)(F)F)n1 117316 ZNSCJKGULBHUGS-SNVBAGLBSA-N 344.358 3.215 0 30 EGAC CCCC(C)(COC(=O)c1cccnc1)COC(=O)c1cccnc1 5509624 XVBCWIBXVAJLPL-UHFFFAOYSA-N 342.395 3.297 0 30 EGAC CCN(CC)C(=O)Nc1cc(NC(=O)N(CC)CC)c(C)nc1C 189649 NGJHDAKDUXDBEW-UHFFFAOYSA-N 335.452 3.446 0 30 EGAC CC[C@@H]1N(CC)COC12CCN([C@H]1CCc3ccccc3C1)CC2 33755858 JTNZLQZXOOINRG-PMACEKPBSA-N 328.500 3.467 0 30 EGAC O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1Cc1ccncc1 68846 XZPATAFFGAHXJP-CQSZACIVSA-N 332.812 3.155 0 30 EGAC Cc1noc2ncnc(SCC(=O)Nc3ccccc3Cl)c12 124237 HGGYFENQULWEEI-UHFFFAOYSA-N 334.788 3.310 0 30 EGAC CCOC(=O)C1=C(C)N(C(C)=O)C(SC)=N[C@H]1c1ccccc1 173822 GENNDLFXLZYIDA-HNNXBMFYSA-N 332.425 3.146 0 30 EGAC CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 34280113 UEWNVBNIVGLQPG-OCHQKFOUSA-N 332.484 3.486 0 30 EGAC O=c1oc(-c2c(F)cccc2F)nn1-c1cc(C(F)(F)F)ccn1 78006 ZXQGVEYXJVIRLK-UHFFFAOYSA-N 343.211 3.185 0 30 EGAC CC(C)n1cc(CCNC(=O)c2n[nH]c3c2CCC3)c2ccccc21 888090726 PWRICXWZTJUWHJ-UHFFFAOYSA-N 336.439 3.407 0 30 EGAC CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1cccc(Br)c1 536954603 WFAZICBXBANFPD-CHWSQXEVSA-N 341.249 3.458 0 30 EGAC COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(OC)cc1 95934220 CBTCTPUAPDCTKT-MOPGFXCFSA-N 325.408 3.084 0 30 EGAC O=C(O)c1cccc2c1N=C/C2=c1\oc(=O)c2cccc3cccc1c32 38615499 GIMUPSGSTGYPKX-KNTRCKAVSA-N 341.322 3.278 0 30 EGAC NC(=O)C1=CN(C(=O)Nc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F 77834 MFMCQEBZRHWYKY-NSHDSACASA-N 347.724 3.125 0 30 EGAC Cc1cc(C)n(C(=O)C(C#N)=NNc2cc(Cl)cc(Cl)c2)n1 254873463 FKLPICSKIBQBSQ-UHFFFAOYSA-N 336.182 3.439 0 30 EGAC COC(=O)C1=C(Nc2ccccc2NC(=O)c2ccco2)CSC1 148048 DRUIRVRPXBBZBW-UHFFFAOYSA-N 344.392 3.118 0 30 EGAC CN(c1cncc(Cl)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 365123325 UVEPWDOMNUOTLL-LBPRGKRZSA-N 340.855 3.356 0 30 EGAC C[C@@H](Cl)C(=O)ON=C1C(=O)N(c2ccccc2)c2ccccc21 254840517 CNTWYKFJBJYCOD-LLVKDONJSA-N 328.755 3.240 0 30 EGAC CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2CC2SCCCS2)O1 22055670 MQCXYIUIBYSRGY-WZRBSPASSA-N 334.503 3.244 0 30 EGAC in-vitro CCOC(=O)[C@H](C)Sc1nnc2c3cc(CC)ccc3n(C)c2n1 1366154 JIAZKAQFPIOSIK-JTQLQIEISA-N 344.440 3.123 0 30 EGAC O=C(c1cccs1)N1CCN(Cc2c(F)cccc2Cl)CC1 20412708 GJRPDILKKGXTSJ-UHFFFAOYSA-N 338.835 3.499 0 30 EGAC CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2cncc(Cl)n2)CC1 866083960 XUUOFTZMAGSDEA-XYPYZODXSA-N 326.828 3.378 0 30 EGAC CCCSc1ncccc1C(=O)NCc1ccc2c(c1)OCO2 4381344 UGGCBAUVHNOSRI-UHFFFAOYSA-N 330.409 3.242 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccccc2)C[C@H]1N 71791419 CSXFKPWYLDEBEW-CVEARBPZSA-N 348.443 3.052 0 30 EGAC COc1cccc(F)c1C(=O)NC(=O)Nc1ccc2nc(C)oc2c1 172220 JDAOPSSSJDAFQN-UHFFFAOYSA-N 343.314 3.246 0 30 EGAC OCc1cc(I)cc(Cl)c1Br 575674269 OELXYNAZBLLCAZ-UHFFFAOYSA-N 347.377 3.199 0 30 EGAC CC1(C)OC2=C(C[C@H]3C=C(c4cc(O)cc(O)c4)OC3=C2)C[C@H]1O 5963845 OXSJQIXSXQJWOZ-XTZNXHDOSA-N 328.364 3.187 0 30 EGAC C[S@@](=O)(=NC(=S)NC(=O)Oc1ccccc1)c1ccccc1 100217969 PLRCTRMUYOGXFV-QFIPXVFZSA-N 334.422 3.217 0 30 EGAC CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCOCC3)ccc21 171530 GKTJRCZCCWXEGS-UHFFFAOYSA-N 341.333 3.108 0 30 EGAC OC1(c2ccc(Cl)cc2)CCN(Cn2nnc3ccccc32)CC1 118451 RUDYKQUIESGKSV-UHFFFAOYSA-N 342.830 3.026 0 30 EGAC COCCCNC(=S)Nc1ccc(Br)cc1Cl 4381723 WBKJZACNDHWAED-UHFFFAOYSA-N 337.670 3.425 0 30 EGAC O=C(O)CSCC(=O)N(Cc1ccccc1)Cc1cccs1 4390079 NZMULVJRNOWOJO-UHFFFAOYSA-N 335.450 3.095 0 30 EGAC CCOC(=O)c1cc(-c2cccs2)nn1C(=O)c1ccccc1 123362 CLPMMGGWEOMWPT-UHFFFAOYSA-N 326.377 3.477 0 30 EGAC CCc1ccc(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1 147887 AIEDEKXZCDTGDZ-UHFFFAOYSA-N 332.425 3.181 0 30 EGAC CCOC(=O)C1=C(Nc2ccc(F)cc2)C(=O)N(C2CCCCC2)C1 165278 OWPZECPORQKQCS-UHFFFAOYSA-N 346.402 3.230 0 30 EGAC C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(-c4csnn4)cc3)C(=O)[C@H]2C1 252428552 LWUULWQUPCWGFM-SWHYSGLUSA-N 327.409 3.131 0 30 EGAC O=C1OC(c2ccccc2)=NC1=CNc1nccc(-c2cccs2)n1 2265279198 HDNXEMNVCNITGO-UHFFFAOYSA-N 348.387 3.462 0 30 EGAC OCCN1CC[C@@H](Cc2ccccc2)C[C@H]1Cc1ccc(O)cc1 2265364200 ZCKAVMIJYNVXDK-VQTJNVASSA-N 325.452 3.250 0 30 EGAC Cc1nc(C)c(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)o1 107492 XCIYCFKDFGMTLX-UHFFFAOYSA-N 337.788 3.045 0 30 EGAC CC(C)(C)OC(=O)N1CC(C=C(Br)Br)C1 210410248 HHYMZESVKOHDPJ-UHFFFAOYSA-N 341.043 3.485 0 30 EGAC Cn1c(SCc2cc(F)cc3c2OCOC3)nnc1C(F)(F)F 140581 PUYOXDDAUOBZDW-UHFFFAOYSA-N 349.309 3.132 0 30 EGAC Cc1c([N+](=O)[O-])cc(C(C)(C)C)c([C@@H](Cl)C(=O)O)c1[N+](=O)[O-] 96334125 CZGSDKLOHXHPSB-SNVBAGLBSA-N 330.724 3.473 0 30 EGAC CCOC(=O)c1sc(SCCO)c2c1CC(C)(C)CC2=O 4351437 YFDFHZYRQYECQH-UHFFFAOYSA-N 328.455 3.164 0 30 EGAC CC1(C)CC(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2O1 83071 QXRHBBZKCUZLCH-UHFFFAOYSA-N 325.364 3.448 0 30 EGAC FC(F)(F)c1ccc(C2=NN[C@@H](c3ccc(Cl)cc3)N2)nc1 127250 RKPPKNTZLRPTQK-LBPRGKRZSA-N 326.709 3.307 0 30 EGAC CCCC[S@@](=O)c1sc(C(=O)OCC)c2c1C(=O)CCC2 4350372 WNMMHENURKNMMW-NRFANRHFSA-N 328.455 3.352 0 30 EGAC CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 254734231 GFWZEYWIQARPTC-UHFFFAOYSA-N 328.755 3.154 0 30 EGAC NC(=O)CN[C@@H]1CCC[C@@H]1c1cccc(OCc2ccccc2F)c1 504753628 TZMWRNRFGMZOCS-IEBWSBKVSA-N 342.414 3.116 0 30 EGAC CN(c1cncc(Cl)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 365123313 UVEPWDOMNUOTLL-GFCCVEGCSA-N 340.855 3.356 0 30 EGAC CC(C)(C)OC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)[C@H]1C(=O)O 2265383551 BANSAJWKYFERFY-NEPJUHHUSA-N 345.317 3.493 0 30 EGAC c1ccc(CN2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 19835092 NKWZEPWHHANJPM-UHFFFAOYSA-N 332.451 3.395 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1 29505019 PLTFSYLPECZQMS-CQSZACIVSA-N 338.835 3.356 0 30 EGAC CC(C)(C)OC(=O)N1CCC[C@@H](n2cnc3c(Cl)ncnc32)C1 38579997 IFLORXMUQDSOBC-SNVBAGLBSA-N 337.811 3.052 0 30 EGAC COc1ccc([C@H]2CC(=O)c3cc(OC)c(OC)cc32)cc1OC 119650 XMIUWYWMDDZCAG-GFCCVEGCSA-N 328.364 3.439 0 30 EGAC CNC[C@@H]1CN(c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O1 4214773 KYXSTSXVEXKFJI-QGZVFWFLSA-N 346.814 3.464 0 30 EGAC in-man CC(C)C(=O)N[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 301136522 AFAHXNBSZOAPDA-LLVKDONJSA-N 349.784 3.495 0 30 EGAC CC(C)(C)S(=O)(=O)C(C#N)=NNc1ccc(Cl)c(Cl)c1 254560488 WFONVRGSCXZTHU-UHFFFAOYSA-N 334.228 3.456 0 30 EGAC N[C@H]1CCC2(C1)CN(c1ncnc3sc(CC(F)(F)F)cc13)C2 2114851035 QZOLXQZVNINBQA-VIFPVBQESA-N 342.390 3.114 0 30 EGAC CN(C)C=C(C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 6182966 MWKSHDTXDCWIIH-UHFFFAOYSA-N 349.839 3.400 0 30 EGAC C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)C1=O 44964036 IZLVPOBNINIXJM-KYWSJVRWSA-N 332.415 3.172 0 30 EGAC CCOC(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)nc1O 5176637 YBYFFFPGAVPKMF-UHFFFAOYSA-N 330.384 3.235 0 30 EGAC Sc1nnc(-c2ccccn2)n1-c1ccc(Br)cc1 36928088 DAXKXHYEHRCVLJ-UHFFFAOYSA-N 333.214 3.381 0 30 EGAC NC(=O)CN[C@@H]1CCC[C@H]1c1ccc(OCc2ccccc2F)cc1 504375173 JKPDOKQWBDGWGR-PKOBYXMFSA-N 342.414 3.116 0 30 EGAC CCCCOc1cc(N)ccc1C(=O)OCCCN1CCCCC1 2020623 PFAMXDMFQHEJHK-UHFFFAOYSA-N 334.460 3.481 0 30 EGAC C[C@H](N[C@H](C)CC1(C)Oc2ccccc2O1)[C@H](O)c1ccc(O)cc1 33891060 GHZMIKHRJGFMDC-TYILLQQXSA-N 343.423 3.370 0 30 EGAC CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 67911 ZSFRRJMEWPOAGQ-UHFFFAOYSA-N 338.816 3.408 0 30 EGAC COc1ccc2[nH]cc([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)c2c1 137160416 DFHMLSFPSZMFND-INIZCTEOSA-N 334.375 3.219 0 30 EGAC Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3N)C2=O)c(C)c1 100395972 RMZFEJIHIDJLSM-INIZCTEOSA-N 326.421 3.310 0 30 EGAC O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2C[C@H]12 725240385 ASRYHUYFNSHKKU-ZHALLVOQSA-N 349.386 3.340 0 30 EGAC C[S@@](=O)(=NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 100218536 CYTFBLLKPZPALQ-SFHVURJKSA-N 335.859 3.247 0 30 EGAC O=C(O)/C=C/C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 137840 LWKBWCDFODTIKC-OWOJBTEDSA-N 327.180 3.304 0 30 EGAC C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 96030126 HQTALZCXADTAOJ-UCIZGGALSA-N 334.500 3.422 0 30 EGAC O=S(=O)(NCc1csc(-c2cccs2)n1)c1cccs1 4389370 CINZDFDARPQYHS-UHFFFAOYSA-N 342.492 3.412 0 30 EGAC CNS(=O)(=O)/C=C/c1ccc2c(ccn2Cc2ccccc2)c1 22063351 CGQXKKYAWNNJJX-ZRDIBKRKSA-N 326.421 3.210 0 30 EGAC in-vitro O=C(CCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl 20458515 ILXNZFLNGTYEGN-UHFFFAOYSA-N 336.741 3.020 0 30 EGAC CCOC(=O)[C@@H]1C(=O)N(CC)[C@@]23CCCC[C@H]2[C@H]1c1ccccc1O3 252427704 CMWSRXJFTGYKQA-DZIWXPPMSA-N 343.423 3.091 0 30 EGAC CC(C)(C)OC(=O)N1CCC(n2nccc2Br)CC1 220462444 ORPJARXRVYEZJQ-UHFFFAOYSA-N 330.226 3.218 0 30 EGAC COc1ccc2c3c(cccc13)C(=O)N(CC(C)(C)CN(C)C)C2=O 38634484 XRVZSZJURDQLRU-UHFFFAOYSA-N 340.423 3.032 0 30 EGAC O=C(O)[C@H]1CCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c21 160070 ONTZFEFKVQPEFY-VIFPVBQESA-N 344.417 3.224 0 30 EGAC COC(=O)c1cc2c(s1)-c1cc(Cl)ccc1S(=O)(=O)C2 107735 FFZLAKKWPAAFOQ-UHFFFAOYSA-N 328.798 3.142 0 30 EGAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1[C@H]2CCC[C@H]2OS1(=O)=O 2265351928 NZNNFKFJVOJIOO-GZBLMMOJSA-N 345.461 3.082 0 30 EGAC CN(C)CCCn1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21 1182 VWXGRWMELBPMCU-UHFFFAOYSA-N 329.831 3.397 0 30 EGAC in-man CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccccc2)C[C@H]1N 71791418 CSXFKPWYLDEBEW-HOTGVXAUSA-N 348.443 3.052 0 30 EGAC NCCCCC[C@@H](N)OC(=O)CCCCCCCCCCC(=O)O 299803569 ZHDMNOQLWLZUSA-INIZCTEOSA-N 344.496 3.319 0 30 EGAC Cc1nc(-c2ccccc2)sc1C(=O)NC(=O)c1ccccc1O 157581 PJJXLNVMEVEGKI-UHFFFAOYSA-N 338.388 3.394 0 30 EGAC CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 38422318 ROQJNRDLUNFGNK-MXRBDKCISA-N 346.467 3.421 0 30 EGAC O=S(=O)(O)c1cc(Cl)cc(Cc2cc(Cl)ccc2O)c1O 33607368 HZCMTSWVWXUEDR-UHFFFAOYSA-N 349.191 3.242 0 30 EGAC O=C(O)c1cn(-c2ccncc2)nc1-c1cccc(Br)c1 35779482 KYPYZCKDFDCUOX-UHFFFAOYSA-N 344.168 3.395 0 30 EGAC COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=CC1=CCN3CCC2 15217666 FCYJGRFDMUVIHS-UZLBHIALSA-N 327.424 3.062 0 30 EGAC biogenic CCOC(=O)C1=NN(c2ccccc2C(F)(F)F)[C@H](OCC)C1 95348109 CCBYECVICVYDAQ-CYBMUJFWSA-N 330.306 3.197 0 30 EGAC in-vitro COc1ccc(CCC(=O)Oc2ccc(OC)c(OC)c2)cc1OC 139668819 ARYIFXQIIBDPLP-UHFFFAOYSA-N 346.379 3.259 0 30 EGAC CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1C(=O)O 4051015 LJCWUQULJLHRBQ-UHFFFAOYSA-N 344.283 3.037 0 30 EGAC COC(=O)c1cscc1NC(=O)C[C@@H](CC(=O)O)c1ccccc1 152816 UJOHJOGUOWCXRB-LBPRGKRZSA-N 347.392 3.122 0 30 EGAC O=C(NC(=S)Nc1cc(-c2cccs2)n[nH]1)c1ccccc1 165752 PVXPCAUOOPJKSK-UHFFFAOYSA-N 328.422 3.265 0 30 EGAC CCN1CCC[C@@H]1CNC(=O)c1c(OC(C)C)cccc1OC(C)C 2021783 PNYHUCVZDPPOTQ-MRXNPFEDSA-N 348.487 3.475 0 30 EGAC CCN(CC)CCCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 2158660 UUSZEUYFOSWFMU-UHFFFAOYSA-N 340.533 3.239 0 30 EGAC CN1CCN(c2cccc(Nc3nc(Cl)c4cc[nH]c4n3)c2)CC1 71261328 SHRRXEVIRXOAEB-UHFFFAOYSA-N 342.834 3.107 0 30 EGAC C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O 103109277 ABEFPCRGBOFMDC-XYGDRSAOSA-N 334.456 3.087 0 30 EGAC O=C(CN1CCc2ccccc21)Nc1nnc(-c2cccs2)s1 1036596 GMDBHOALUWXUNY-UHFFFAOYSA-N 342.449 3.268 0 30 EGAC COc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254403368 LGQWOKSOBNUYCG-UHFFFAOYSA-N 330.300 3.348 0 30 EGAC CCOC(=O)[C@@H](C)N1C(=O)C(=O)c2cc(-c3cccc(C)c3)ccc21 95951462 RGEXQPJPIVGDJV-CYBMUJFWSA-N 337.375 3.143 0 30 EGAC Cn1ncc(Br)c1NC(=O)Nc1ccc(Cl)cc1 116831 FBXPJUUKCUEZSN-UHFFFAOYSA-N 329.585 3.480 0 30 EGAC Cc1ccc(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 19924642 RQLPZXPRJXGSLA-UHFFFAOYSA-N 349.356 3.371 0 30 EGAC C[C@@H]1CC[C@H]2C(=O)N(c3ccc(-c4csnn4)cc3)C(=O)[C@H]2C1 252428551 LWUULWQUPCWGFM-HONMWMINSA-N 327.409 3.131 0 30 EGAC O=C(c1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1 19924639 SNZCYYQNLVCJFM-UHFFFAOYSA-N 335.329 3.063 0 30 EGAC CC[C@H]1N(CC)COC12CCN([C@H]1CCc3ccccc3C1)CC2 33755857 JTNZLQZXOOINRG-VQTJNVASSA-N 328.500 3.467 0 30 EGAC Cc1cc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)no1 126864 ADDMARXETWXAHY-UHFFFAOYSA-N 348.815 3.407 0 30 EGAC CCOC(=O)c1ccc(NC(=O)c2cccnc2)c(N(CC)CC)c1 33637617 LZOVCLCAZKXGOZ-UHFFFAOYSA-N 341.411 3.357 0 30 EGAC Cc1cc(C)cc(N2C(=O)C[C@H](Sc3ccccc3N)C2=O)c1 100393304 YIDSGQKNGGJKSR-INIZCTEOSA-N 326.421 3.310 0 30 EGAC CNc1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cn1 148924826 DLVXFZWSPCOWSN-CQSZACIVSA-N 327.359 3.048 0 30 EGAC CON=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1 254557200 KTWJUKOGWPAVGH-UHFFFAOYSA-N 346.601 3.254 0 30 EGAC CC[C@]1(C)CO[C@](Cn2cncn2)(c2cc3ccccc3o2)OC1 101108079 QBIZYLGKEYAQGW-IYARVYRRSA-N 327.384 3.340 0 30 EGAC