smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)c1cc(Br)cn2cc(C)nc12 259897230 CYFUQYPATTZFJR-UHFFFAOYSA-N 269.098 2.192 0 30 CEAC CC(C)(C)OC(=O)NC[C@H](N)C(F)(F)C(F)(F)F 642883041 QFINYASMKCHZDX-YFKPBYRVSA-N 278.221 2.036 0 30 CEAC CCCCN(CCO)Cn1sc2ccccc2c1=O 44712546 BCPAKTYJFVPOQQ-UHFFFAOYSA-N 280.393 2.115 0 30 CEAC O=C(O)c1nc(-c2cccc(C(F)(F)F)c2)no1 75878712 LPUGFIPFSOZGIX-UHFFFAOYSA-N 258.155 2.454 0 30 CEAC CCn1nc(Br)cc1Br 129253187 WHFNRGXOYNUQPH-UHFFFAOYSA-N 253.925 2.428 0 30 CEAC CC(C)(C)OC(=O)Nc1cc([S@](=O)O)ccn1 725378673 FTIYNFCXSZCDBS-UHFFFAOYSA-N 258.299 2.009 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](N)CCC[C@@H]2C1 238115061 VIKVXDCBECSADD-WOPDTQHZSA-N 254.374 2.371 0 30 CEAC CC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 34429153 PBISHRQHDSUMIJ-MRXNPFEDSA-N 251.229 2.272 0 30 CEAC O=C1O[C@@H](c2ccccc2)CN(C2CCCCC2)C1=O 3604458 YBXQUVYQOUFMOM-CQSZACIVSA-N 273.332 2.446 0 30 CEAC CCOC(=O)C1(C(C)=O)CCN(C(=O)OC(C)(C)C)CC1 49904982 GLBCHSPQVZSUNR-UHFFFAOYSA-N 299.367 2.156 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CC(c2ncc(C(=O)O)s2)C1 694730156 KFOIWRBDODPDBA-UHFFFAOYSA-N 284.337 2.176 0 30 CEAC CCOC(=O)C1=C([C@H](C)c2ccccc2)NC(=O)N[C@H]1C 146949 IHGQHXFNBUCFCE-MNOVXSKESA-N 288.347 2.309 0 30 CEAC CN(CCc1ccccn1)C(=O)c1ccccc1C(=O)O 156208 ULEYXTHOLJQDGZ-UHFFFAOYSA-N 284.315 2.095 0 30 CEAC CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)F)C(=O)O 504428938 YDLHWKNKFAPLAJ-QMMMGPOBSA-N 263.309 2.445 0 30 CEAC O=C(O)CCCCCN1CCN(c2ccccc2)CC1 4336086 LBQBQUKBLNSGEX-UHFFFAOYSA-N 276.380 2.454 0 30 CEAC COC(=O)c1ccccc1Nc1ncccc1C(=O)O 41406080 KTEOJIFKTAAVLP-UHFFFAOYSA-N 272.260 2.310 0 30 CEAC O=S1(=O)Cc2snnc2-c2cc(Cl)ccc21 106078 RMUISXPLFUODNO-UHFFFAOYSA-N 272.738 2.146 0 30 CEAC Oc1ccc2c(c1)[C@@H](O)CN(Cc1ccccc1)C2 31274339 ZIDUVPCAVFIGND-INIZCTEOSA-N 255.317 2.441 0 30 CEAC CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CC(=O)O 216314385 GWUHHGKTSJCZQO-SSDOTTSWSA-N 265.256 2.106 0 30 CEAC NC[C@H](O)c1cc(Cl)cc(Br)c1 84586260 HACOVPMPGLSJGK-QMMMGPOBSA-N 250.523 2.095 0 30 CEAC NNC(=S)NN(c1ccccc1)c1ccccc1 85482968 NPYCOVIACWCYAG-UHFFFAOYSA-N 258.350 2.078 0 30 CEAC CC(C)(C)OC(=O)NC[C@H](CC(=O)O)C(F)(F)F 396138898 QVWCRKXVQHTZCI-LURJTMIESA-N 271.235 2.164 0 30 CEAC Cc1ccc(C(=O)COc2cc(C)nc3nncn23)cc1 1046903 UCSGHZOBLYXNJJ-UHFFFAOYSA-N 282.303 2.003 0 30 CEAC CC(C)(C)OC(=O)Nc1cc(CC(=O)O)ccn1 21985036 MVJBYDMLBQOZFX-UHFFFAOYSA-N 252.270 2.056 0 30 CEAC CCOC(=O)c1nc(Cl)sc1C(=O)OCC 34427310 MHDVOHPCBKEFQZ-UHFFFAOYSA-N 263.702 2.150 0 30 CEAC NCc1ccn(-c2ccc(Br)cc2)n1 84179233 NMPRBTXRPRRXGK-UHFFFAOYSA-N 252.115 2.094 0 30 CEAC Nc1nc(-c2ccc(Br)cc2F)no1 230547101 FWGMIQPVLSJQIY-UHFFFAOYSA-N 258.050 2.220 0 30 CEAC O=C1CSCC(=O)N1c1cccc2ccccc12 100783 WELDLBOXESXXHT-UHFFFAOYSA-N 257.314 2.446 0 30 CEAC CCN(CC)CCN1C(=O)COc2ccc(Cl)cc21 33986274 QZBGSXBIQPIBTF-UHFFFAOYSA-N 282.771 2.407 0 30 CEAC CCOC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1O 66327841 XULIAEMBEDRGAS-UHFFFAOYSA-N 275.308 2.273 0 30 CEAC CCC(=O)c1ccc(O)c(OCCCC(=O)O)c1 33892069 XKCVVOLOBWRONO-UHFFFAOYSA-N 252.266 2.229 0 30 CEAC O=C(OCc1ccccc1)N1CCC[C@@]12CCNC2 91297372 SSUHQBDSVBXYAW-HNNXBMFYSA-N 260.337 2.151 0 30 CEAC CCCC[C@H](CC)COCCOCCOCCO 5822144 GSKKPNMVOYDARW-AWEZNQCLSA-N 262.390 2.245 0 30 CEAC Cc1cc(OCC(=O)O)cc2c1C(=O)CC(C)(C)O2 83246 CRSQWHKHIRPTFI-UHFFFAOYSA-N 264.277 2.202 0 30 CEAC Cc1ccc([C@](O)(C(=O)O)C(F)(F)C(F)(F)F)cc1 43465332 DFGNEAIEJDJVKM-VIFPVBQESA-N 284.180 2.465 0 30 CEAC OCc1cncc(-c2cccc(Br)n2)c1 91351639 NGSHSZHSVHLWPQ-UHFFFAOYSA-N 265.110 2.398 0 30 CEAC O=C(c1ccc(-n2ccnc2)cc1)C1CCNCC1 4262661 HMSOFTWOECICPS-UHFFFAOYSA-N 255.321 2.055 0 30 CEAC CCOC(=O)CCC1(Cc2ccccc2)OCCO1 5650547 XHEBDDMCCQGYRQ-UHFFFAOYSA-N 264.321 2.316 0 30 CEAC O=C(O)c1nn(-c2ccccc2)cc1OC(F)F 36721618 IKLMANZHCBSHPI-UHFFFAOYSA-N 254.192 2.172 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CC[C@@H]2CCC[C@H](N)[C@@H]2C1 226079470 LHUZFIWBDRHNNT-TUAOUCFPSA-N 254.374 2.371 0 30 CEAC O=C1Cc2cc(OCc3ccccc3)ccc2CN1 1433219 FMWLMACQOCZCBD-UHFFFAOYSA-N 253.301 2.438 0 30 CEAC CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1nccs1 131868707 XPVWXHJYKOOHRW-SSDOTTSWSA-N 272.326 2.184 0 30 CEAC COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 238856584 WIUCVCPUXZNLBA-MNOVXSKESA-N 271.357 2.441 0 30 CEAC COC(=O)c1ccc(Br)cc1[C@@H](C)N 238380564 FKTRZVMYEOVEOF-ZCFIWIBFSA-N 258.115 2.255 0 30 CEAC CCCN1CCO[C@@H]2Cc3c(OC)ccc(OC)c3C[C@H]21 31542064 XAVFMHGZNAWWAI-RHSMWYFYSA-N 291.391 2.282 0 30 CEAC Cc1c(Cl)cccc1S(=O)(=O)Nc1ccnn1C 116645 UWHPAFCGWXKAPB-UHFFFAOYSA-N 285.756 2.183 0 30 CEAC CC(C)[C@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C 216799615 TUMBAXMKWXLSFG-ZDUSSCGKSA-N 257.330 2.497 0 30 CEAC CC[C@@]1(CC=C2CCCCC2)C(=O)NC(=O)N(C)C1=O 1844425 AOTSLURHBHKLMV-OAHLLOKOSA-N 278.352 2.372 0 30 CEAC CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](CN)C1 238161402 KOSDXZFHFRRRIA-GFCCVEGCSA-N 262.353 2.480 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@](N)(c2ccccc2)C1 211496039 JWQMHIHZMPBTSY-OAHLLOKOSA-N 262.353 2.481 0 30 CEAC COC(=O)[C@]1(F)CCN([C@H](C)c2ccccc2)C1 95348225 AQVQMPFPMLZLHT-RISCZKNCSA-N 251.301 2.335 0 30 CEAC in-vitro COC(=O)c1ccc(Cl)c(Br)c1N 228915831 PBDVMVUPNGZNKQ-UHFFFAOYSA-N 264.506 2.471 0 30 CEAC in-vitro OC1(c2cc(F)cc(F)c2)CCC2(CC1)OCCO2 89539149 GKDZPKLOVXMPRR-UHFFFAOYSA-N 270.275 2.470 0 30 CEAC C[C@H]1C[C@@H]2O[C@H]2C[C@H]1C(=O)OC[C@H]1C[C@H]2O[C@H]2C[C@H]1C 145742530 GRWFFFOEIHGUBG-XQCJAKTMSA-N 280.364 2.157 0 30 CEAC in-vitro CSC1=NCCN1CC(=O)c1ccc(F)cc1 167188 RMPWCDVPNJRSOO-UHFFFAOYSA-N 252.314 2.043 0 30 CEAC CC(C)OC(=O)c1cccnc1C(=O)OC(C)C 196247200 ICHSCPPDPQRVNB-UHFFFAOYSA-N 251.282 2.212 0 30 CEAC O=C(NC(=O)N1CCSC1)c1c(F)cccc1Cl 166263 NXRYWVGDXZVDCR-UHFFFAOYSA-N 288.731 2.335 0 30 CEAC c1cnc2sc3c(N4CCOCC4)ncnc3c2c1 171814 AWGGGZJVYBRJGU-UHFFFAOYSA-N 272.333 2.076 0 30 CEAC Cn1cc2c(C(=O)O)c(Br)ccc2n1 257845317 ABYLNOXGJNDZBB-UHFFFAOYSA-N 255.071 2.034 0 30 CEAC CCOC(=O)c1ccc2c(Cl)nc(Cl)nn12 261165147 YMBBKZRXKCABTE-UHFFFAOYSA-N 260.080 2.213 0 30 CEAC O=C(O)C[C@H]1Cc2cc(Br)ccc2C1=O 142288869 JKIHKCSKFFHIRV-SSDOTTSWSA-N 269.094 2.279 0 30 CEAC CCOC(=O)CNC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 149827764 GWRCTWAPTXBPHW-RWMBFGLXSA-N 269.385 2.374 0 30 CEAC endogenous,in-man CSCc1cc(N2CCOC[C@@H]2C)nc(Cl)n1 143966906 OTURQEFENKJHCN-QMMMGPOBSA-N 273.789 2.218 0 30 CEAC COC(=O)[C@H]1C(O)=C(Cl)C(O)=C(Cl)[C@H]1C 33608518 BRUORQOYZCQXEW-IUYQGCFVSA-N 253.081 2.442 0 30 CEAC O[C@@H]1CN=C(CCc2cc(Cl)sc2Cl)NC1 2265385512 DBRYKJVUVIWJFM-UHFFFAOYSA-N 279.192 2.350 0 30 CEAC O=C(O)[C@@H]1CCc2cc(OCCn3ccnc3)ccc21 2016018 IRWWXLHSNMVHNY-CQSZACIVSA-N 272.304 2.077 0 30 CEAC in-man COc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 2478743 ZOXKNVCXIKCYPF-GIFSMMMISA-N 287.315 2.157 0 30 CEAC COc1c(CO)cnc2ccc(Br)cc12 722011473 YITWHSZRDODKPW-UHFFFAOYSA-N 268.110 2.498 0 30 CEAC O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C(F)F 253181404 GNPZPRAMGBOIEV-GHMZBOCLSA-N 299.273 2.221 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](CN)[C@H]1c1cccnc1 396153469 CFEYMEPCXVSBOI-AAEUAGOBSA-N 277.368 2.338 0 30 CEAC CCOC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C 35940762 GWRCTWAPTXBPHW-FRRDWIJNSA-N 269.385 2.374 0 30 CEAC endogenous,in-man NC(=O)C1=CN(Cc2ccccc2)CC[C@@H]1C(F)(F)F 127037 OQTAODSMYJTQLI-LBPRGKRZSA-N 284.281 2.440 0 30 CEAC O=C(NC(=O)N1CCCCC1)c1ccc(F)cc1F 171840 WWGNACQTWSLSOC-UHFFFAOYSA-N 268.263 2.301 0 30 CEAC COC(=O)[C@@H]1ON(C)[C@@H]2c3c(ccc4ccccc34)OC[C@@H]21 3883899 HDHXCAZJYGUQIE-VBNZEHGJSA-N 299.326 2.308 0 30 CEAC COC(=O)C1(C(C)=O)CC(OCc2ccccc2)C1 407985667 HRVPOPZDVJEPQE-UHFFFAOYSA-N 262.305 2.114 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](CN)c1ccc(F)cc1 19420696 SQWIBRSBKJQGBW-NSHDSACASA-N 254.305 2.350 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H]2CCCNC[C@H]2C1 98090095 XTHNUAFJOORFFY-NEPJUHHUSA-N 254.374 2.243 0 30 CEAC CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2N)C1 87493425 BDLWVTWKNLOFBM-NSHDSACASA-N 292.383 2.157 0 30 CEAC Cc1nnsc1C(=O)N=[S@@](C)(=O)c1ccccc1 100218425 KPJWVRLIHNFNHM-SFHVURJKSA-N 281.362 2.144 0 30 CEAC C[N+]([O-])=Cc1ccc(OCc2nnsc2Cl)cc1 8887933 OBYIWFCFQKYGNL-UHFFFAOYSA-N 283.740 2.330 0 30 CEAC C[C@@H](O)c1ccc(F)c(I)c1 299805250 FZVURDMNXKRARQ-RXMQYKEDSA-N 266.053 2.484 0 30 CEAC CC(C)(C)OC(=O)NC[C@@]12CCCC[C@H]1CNC2 32625259 OCBLBCHMNLRFCF-FZMZJTMJSA-N 254.374 2.291 0 30 CEAC COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C 81323 PDVSDBAADZROMB-LBPRGKRZSA-N 259.305 2.046 0 30 CEAC CC(C)(C)OC(=O)N1CC(=O)[C@H]1Cc1ccccc1 238141948 BERNCZJWUMYWDH-GFCCVEGCSA-N 261.321 2.418 0 30 CEAC CCOC(=O)[C@@H](N)Cc1cc(Cl)ccc1Cl 44341058 PAVSIGPSDCRKLV-JTQLQIEISA-N 262.136 2.426 0 30 CEAC Cc1cc(N)ccc1-c1cc(S(=O)(=O)O)c(N)cc1C 2569727 OPNYQMLDNXVVPX-UHFFFAOYSA-N 292.360 2.382 0 30 CEAC COC(CC[Sn](C)(C)C)OC 196788457 DPEFUUBREPQDKK-UHFFFAOYSA-N 266.957 2.334 0 30 CEAC O=S(=O)(c1ccccc1)n1ccc2ccc(F)nc21 79033952 WQQSJBPDCSBOIG-UHFFFAOYSA-N 276.292 2.412 0 30 CEAC NN(Cc1ccccc1)C[C@@H]1COc2ccccc2O1 19168756 IXTXYSAWZICAPV-CQSZACIVSA-N 270.332 2.202 0 30 CEAC in-man O=C1c2cccc3c2N(CCC3)C(=O)C1(Cl)Cl 2570620 KLZLDDNLEVACMY-UHFFFAOYSA-N 270.115 2.336 0 30 CEAC CC1(C)O[C@@H]2CO[C@H](OCc3ccccc3)[C@@H]2O1 306877337 CFPPNCUCWHMQHL-UPJWGTAASA-N 250.294 2.080 0 30 CEAC COC(=O)c1cc(Br)c2c(c1)OCCN2 1772769233 OVEBATCVBDTIHN-UHFFFAOYSA-N 272.098 2.040 0 30 CEAC O=C(O)[C@@H]1CCNc2ccc(Br)cc21 96957702 RKJCJNABTHRXAU-SSDOTTSWSA-N 256.099 2.433 0 30 CEAC O=C(OCc1ccccc1)N1CCC[C@@H]2CNCC[C@H]21 605706895 CAYPZYOXNWSJPJ-HUUCEWRRSA-N 274.364 2.397 0 30 CEAC O=C1CCCc2c1cnc1c(-c3ccccn3)cnn21 953101646 KSXLDLAQROYSGN-UHFFFAOYSA-N 264.288 2.310 0 30 CEAC O=C1c2ccccc2C(=O)N1[S@](=O)c1ccccc1 4979156 JRBVENZNVISJCU-IBGZPJMESA-N 271.297 2.005 0 30 CEAC CCOC(=O)[C@H]1CC[C@H](C#N)N(Cc2ccccc2)C1 38257590 HAILJONBXUFSOI-LSDHHAIUSA-N 272.348 2.354 0 30 CEAC CN1CN=C(SCc2ccc(Cl)cc2)NC1 144700 UWBGAQRVILWBDS-UHFFFAOYSA-N 255.774 2.379 0 30 CEAC O=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1 35569535 POFNZJXEGAXYMQ-UHFFFAOYSA-N 262.286 2.413 0 30 CEAC COc1cc(Cl)cnc1I 238339667 UNHILBUCBDBPNQ-UHFFFAOYSA-N 269.469 2.348 0 30 CEAC CCOC(=O)c1c[nH]n(-c2cccc(C(F)(F)F)c2)c1=N 725325394 INAIKLFQCXFWDE-UHFFFAOYSA-N 299.252 2.480 0 30 CEAC COC(=O)[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 29483536 OSKZYLPFYNARRX-CORIIIEPSA-N 284.359 2.301 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)CCC[C@H]12 216075428 HERZQHQDMXBYJF-TVQRCGJNSA-N 255.314 2.251 0 30 CEAC COc1cc(F)c([N+](=O)[O-])cc1I 218791500 ZTISLECLHRDWBF-UHFFFAOYSA-N 297.023 2.347 0 30 CEAC COc1nc(OC)c(Br)cc1S 2265385548 JUYVXXMTJHWTRK-UHFFFAOYSA-N 250.117 2.150 0 30 CEAC CCOC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 72190462 FJMLTTAPGNFDSI-UHFFFAOYSA-N 251.257 2.108 0 30 CEAC CN1CCC2(CC1)C[C@H](N)c1cc(F)ccc1O2 75755098 YYDCZPFQAHZDPL-LBPRGKRZSA-N 250.317 2.072 0 30 CEAC CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CN)C1 958720310 HQCSDOSIMBNSSY-LLVKDONJSA-N 254.374 2.372 0 30 CEAC COc1ccc(OC)c([C@@H]2N[C@@H](C(=O)O)C(C)(C)S2)c1 4300933 BENWLDALGAZKCJ-NWDGAFQWSA-N 297.376 2.271 0 30 CEAC CC[C@]1(CC=C2CCCCC2)C(=O)NC(=O)N(C)C1=O 1844428 AOTSLURHBHKLMV-HNNXBMFYSA-N 278.352 2.372 0 30 CEAC COC1=CC(=O)O[C@@H](C=Cc2ccc3c(c2)OCO3)C1 2265306974 GTEXBOVBADJOQH-NSHDSACASA-N 274.272 2.274 0 30 CEAC CC1(C)CC(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC(C)(C)N1 111892560 OXAUHFISPWLGBV-CHWSQXEVSA-N 292.423 2.471 0 30 CEAC O=C(O)c1nc(Br)sc1[C@H]1CCOC1 236461600 VYWKNPKSEFKJNX-BYPYZUCNSA-N 278.127 2.108 0 30 CEAC N[C@H](C(=O)O)c1ccc(Cl)cc1Br 72196818 ZRVWAVBHXVIOSB-ZETCQYMHSA-N 264.506 2.187 0 30 CEAC Cc1[nH]nc(I)c1Br 2265381464 IVZRBYFXFGIJLK-UHFFFAOYSA-N 286.898 2.085 0 30 CEAC CCN(CC)S(=O)(=O)c1ccc(OC)c([N+]#N)c1 5224506 QPRGGJBGRUMFBU-UHFFFAOYSA-N 270.334 2.210 0 30 CEAC CC(Cn1c(C(F)(F)F)nc2ccccc21)=NNC(N)=O 254445165 WHDVOJOHCIWBTF-UHFFFAOYSA-N 299.256 2.099 0 30 CEAC Cn1nccc1NC(=O)CC1(CC(=O)O)CCCCC1 129832 CFFOOVMRDAITNV-UHFFFAOYSA-N 279.340 2.174 0 30 CEAC O=c1[nH][nH]c(=S)n1-c1ccccc1C(F)(F)F 13658476 ISWVLXPPBVIRDN-UHFFFAOYSA-N 261.228 2.242 0 30 CEAC COc1ccc(NC(=O)NC(=O)c2cccnc2)cc1 33605794 OMWHNVIIGWUJNB-UHFFFAOYSA-N 271.276 2.052 0 30 CEAC Cc1nc2cnccc2n1-c1ccc(C(=O)O)cc1 38919753 ZPSBZAONUUOSTH-UHFFFAOYSA-N 253.261 2.427 0 30 CEAC CCOC(=O)[C@@H]1CCC(=O)[C@@H](C(F)(F)F)CC1 685945558 GCKIRGYKIRZEEG-YUMQZZPRSA-N 252.232 2.487 0 30 CEAC CC[C@@H](COCCCC(=O)O)NC(=O)OC(C)(C)C 2265378631 RGIDLEFVSPPCAI-JTQLQIEISA-N 275.345 2.171 0 30 CEAC O=C(CCC(=O)N1CCCC1)Nc1ccc(F)cc1 172939 ARWDLKBKPKMGFD-UHFFFAOYSA-N 264.300 2.167 0 30 CEAC COC(OC)(OC)c1cccc(Br)c1 44589330 UYWXQPIOLRROOW-UHFFFAOYSA-N 261.115 2.499 0 30 CEAC CC[C@@]1(c2ccccc2)C(=O)NC(=O)N=C1OC(C)C 33889395 CCEXTQVHYYYTOI-OAHLLOKOSA-N 274.320 2.408 0 30 CEAC CC(C)(ONC(=O)Nc1ccccc1Cl)C(=O)O 77859 GNUDGOVOEBWXGY-UHFFFAOYSA-N 272.688 2.256 0 30 CEAC COc1ccc(N2C(=O)[C@@H](O)[C@@H]2c2ccccc2)cc1 6484370 FTOHXQPVCMMHRO-GJZGRUSLSA-N 269.300 2.144 0 30 CEAC in-vitro CC1(C)CN([C@@H](CN)c2ccc(Cl)cc2)CCO1 36232102 UCZJWHCFSRHCMG-ZDUSSCGKSA-N 268.788 2.451 0 30 CEAC in-vitro CON(C)C(=O)c1cnccc1NC(=O)OC(C)(C)C 95883785 CMRKBFWAKSLIOM-UHFFFAOYSA-N 281.312 2.062 0 30 CEAC Nc1c(F)cc(I)c(F)c1F 2265385225 SXQFTUULMJLROY-UHFFFAOYSA-N 272.995 2.291 0 30 CEAC CCOC(=O)c1ccc(N2C[C@@H](C)N[C@H](C)C2)cc1 82051080 HOONFTHLRKSAHN-VXGBXAGGSA-N 262.353 2.050 0 30 CEAC CCOC(=O)c1cnn(-c2cccc(CF)c2)c1N 71602835 BCENAVHNYSEFOR-UHFFFAOYSA-N 263.272 2.101 0 30 CEAC in-vitro CCOC(=O)c1nc(-c2ccc(Cl)cc2)n(C)n1 109606181 CTSMEIPDMDXVPP-UHFFFAOYSA-N 265.700 2.312 0 30 CEAC Cc1ccc([S@](=O)N2C(=O)c3ccccc3C2=O)cc1 223500902 DXHBLEPFROUZBA-FQEVSTJZSA-N 285.324 2.314 0 30 CEAC COc1ccc(C=NNC(=O)c2ccc3c(c2)OCO3)cc1 13113577 VMXWXBQXFNBTQU-UHFFFAOYSA-N 298.298 2.188 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1CCCc2c(C(=O)O)n[nH]c21 2265383735 ZKARWCMPLSVOFX-MRVPVSSYSA-N 281.312 2.010 0 30 CEAC O=C(O)Cc1cnc(Cl)c(Br)c1 238605309 OTEFXLCJCYROAS-UHFFFAOYSA-N 250.479 2.125 0 30 CEAC CC(C)[C@@H](C(=O)N1CCSCC1)n1cccc1 888103901 IRSXWNYIADDASG-LBPRGKRZSA-N 252.383 2.261 0 30 CEAC O=c1[nH]nc(Cl)c2cc(Br)ccc12 144304616 FJCOUBLATCMSGZ-UHFFFAOYSA-N 259.490 2.339 0 30 CEAC Cc1c(-c2ccnc(N)n2)cnn1-c1ccccc1 141340 FJKPTQRJDIVMER-UHFFFAOYSA-N 251.293 2.220 0 30 CEAC CN(C)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1N 150529 ARZPSLCTTKBHDM-UHFFFAOYSA-N 280.331 2.238 0 30 CEAC CC(=O)N/C(=C\c1ccc(OC(C)C)cc1)C(=O)O 4394954 BVRLDRBFODLKAK-JYRVWZFOSA-N 263.293 2.035 0 30 CEAC CC[C@]1(c2ccccc2)C(=O)NC(=O)N=C1OC(C)C 33889393 CCEXTQVHYYYTOI-HNNXBMFYSA-N 274.320 2.408 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H](CC(=O)O)C(F)(F)F 396138900 QVWCRKXVQHTZCI-ZCFIWIBFSA-N 271.235 2.164 0 30 CEAC CSc1nc(O)c2cncc(Br)c2n1 585681299 STUVZQRVMLUERX-UHFFFAOYSA-N 272.127 2.215 0 30 CEAC N[C@H](C(=O)O)c1c[nH]c2ccc(Br)cc12 96886019 RNOCAESBOHXJJT-VIFPVBQESA-N 269.098 2.015 0 30 CEAC COC(=O)c1onc(-c2ccccc2C)c1C(=O)OC 39119903 KMIDOUPLHIFQCC-UHFFFAOYSA-N 275.260 2.223 0 30 CEAC Oc1cc(Br)cc([C@@H]2CCCNC2)n1 1775937647 MBTFCQSTLVUPPY-SSDOTTSWSA-N 257.131 2.017 0 30 CEAC CN(C(=O)c1cc(F)c(F)cc1Cl)C1CCNCC1 125432503 XQMJYZJPTRHJGD-UHFFFAOYSA-N 288.725 2.442 0 30 CEAC Cc1cc(-c2nc(C(=O)NN3CCCCC3)cs2)no1 123881 VNRNWWWXJGKJRS-UHFFFAOYSA-N 292.364 2.237 0 30 CEAC O=C1NC(=O)C(c2ccc(-c3ccccc3)cc2)=C1O 33874412 JOHXXIIKYZCYCN-UHFFFAOYSA-N 265.268 2.279 0 30 CEAC C[C@@]1(c2cccc(Br)c2)CNCCO1 212587166 YYSCFCZHBAPWHT-NSHDSACASA-N 256.143 2.284 0 30 CEAC CC(C(=O)O)=C1CCN(C(=O)OC(C)(C)C)CC1 197374747 VQAZHJKHTXNPOF-UHFFFAOYSA-N 255.314 2.418 0 30 CEAC COC(=O)COc1cc(C)cc(Br)c1 140269412 POHPSDCGWLNKBJ-UHFFFAOYSA-N 259.099 2.309 0 30 CEAC CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)O1 2033488 FRVXCGFGNRRTFN-SNVBAGLBSA-N 267.712 2.164 0 30 CEAC COc1ccccc1NC(=S)N1CC(C)(C)C1=O 93464 LGJAUWFVNZRRPH-UHFFFAOYSA-N 264.350 2.260 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC(=O)O)C[C@H]21 709968493 JSVBJWIXWVXQCH-OPRDCNLKSA-N 255.314 2.107 0 30 CEAC CC(C)(C)OC(=O)N[C@H]1CC(=O)c2ccccc2NC1=O 34342694 PWRZGUSUUZCMEQ-NSHDSACASA-N 290.319 2.105 0 30 CEAC CCOC(=O)[C@H]1N=C(c2ccccc2)O[C@@H]1C(F)(F)F 96347210 OBHTUWZHQZUAEN-UWVGGRQHSA-N 287.237 2.326 0 30 CEAC Cc1cc(=O)c(OCc2ccccc2)c(C(=O)O)o1 40411140 WYDDQRFWOUARKA-UHFFFAOYSA-N 260.245 2.225 0 30 CEAC N[C@@H](Cc1ccc(-c2cccc(F)c2)cc1)C(=O)O 44285308 FCQAZEOPLJJZBF-AWEZNQCLSA-N 259.280 2.447 0 30 CEAC O=C(O)c1ccccc1-n1cc(Br)cn1 19438712 WJUNOEXBQPNCAU-UHFFFAOYSA-N 267.082 2.333 0 30 CEAC O=C(NC(=O)c1ccno1)Nc1ccccc1Cl 121679 KEKCNVNGBVMQNL-UHFFFAOYSA-N 265.656 2.290 0 30 CEAC COC(=O)c1nnn(-c2cc(Cl)cc(Cl)c2)c1O 15924220 IFKBNDRFLQMQID-UHFFFAOYSA-N 288.090 2.066 0 30 CEAC CC(C)(C)OC(=O)N1CC2(CCC2)[C@](F)(C(=O)O)C1 309825626 QRQQDYAUTNGEIH-CYBMUJFWSA-N 273.304 2.200 0 30 CEAC CCC[C@@H](C(=S)OC)N1C(=O)c2ccccc2C1=O 223482684 MHXVLPRKSCMGCZ-NSHDSACASA-N 277.345 2.425 0 30 CEAC Cc1nc(C)c(-c2ccn(C(=O)c3c(C)noc3C)n2)o1 107507 IXFIFQJGHNOQOT-UHFFFAOYSA-N 286.291 2.448 0 30 CEAC O=C(Cc1cc(F)cc(F)c1)NCc1ccco1 112767 MDZPTVRMWBNCKH-UHFFFAOYSA-N 251.232 2.417 0 30 CEAC COC(=O)c1cc(C)nc(Sc2ccccc2N)n1 126906 QAUJLCZVDJWYBL-UHFFFAOYSA-N 275.333 2.305 0 30 CEAC O=C1CNC(=O)N1CC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265291700 DIHRLUISNCVUQS-PNEKVEQFSA-N 262.353 2.145 0 30 CEAC Cc1cccc(NC(=O)c2snnc2C)c1C(=O)O 152157 GPPWLWCVXDPPFD-UHFFFAOYSA-N 277.305 2.105 0 30 CEAC CC(C)S(=O)(=O)Nc1cccc(C2CCNCC2)c1 953000502 PKZZRLMVXYICKK-UHFFFAOYSA-N 282.409 2.304 0 30 CEAC CC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100393998 SMHNDQGSRZUFNG-LWWSYDQCSA-N 281.311 2.201 0 30 CEAC CC(C)(C)OC(=O)NC1CCC(C(=N)NO)CC1 725241158 YLQNRCQJGRQRBB-UHFFFAOYSA-N 257.334 2.026 0 30 CEAC C[C@H](O)[C@H](C)C[Sn](C)(C)C 195775938 UTCNFNFJDKDEIR-VYZHCJRFSA-N 250.958 2.342 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CCC[C@H](N)[C@H]2C1 306208265 LHUZFIWBDRHNNT-SRVKXCTJSA-N 254.374 2.371 0 30 CEAC COc1cc(-c2[nH]c(C)c(C(C)=O)c2N)ccc1O 2013753 YBZZPSNRONVWFG-UHFFFAOYSA-N 260.293 2.489 0 30 CEAC FC(F)(F)C1(n2cc(Br)nn2)CC1 2265385223 SJVBEIRLEOMNNX-UHFFFAOYSA-N 256.025 2.092 0 30 CEAC C[C@H]1C[C@H](N2N=C(c3ccccc3)CC2=O)[C@H](C)CN1C 33639270 JREBIAFWXAAHMJ-WWGRRREGSA-N 285.391 2.352 0 30 CEAC Ic1c[nH]nc1-c1ccccn1 71621643 VULGPJXBNXWECZ-UHFFFAOYSA-N 271.061 2.076 0 30 CEAC C[C@H](CN(C)C)Cn1sc2ccccc2c1=O 38634977 KKVWYFKWZWCPOZ-SNVBAGLBSA-N 250.367 2.261 0 30 CEAC C[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 100291943 IWUYXIZZGXHGFM-ZETCQYMHSA-N 273.210 2.485 0 30 CEAC CC(C)(C)OC(=O)NC[C@H](CO)Cc1ccccc1 146932606 MZROITKHJJJGJI-CYBMUJFWSA-N 265.353 2.362 0 30 CEAC CC(=O)NC[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 4172319 SGZVEWGAZGOWGP-SRCQZFHVSA-N 297.402 2.264 0 30 CEAC in-man CC1(C)COC(=O)[C@H]2CC=CC[C@]2(C)C(=O)OC1 141953544 KTUZUPSQYOXSOR-YGRLFVJLSA-N 252.310 2.085 0 30 CEAC Cc1nc2c(Br)cccn2c1C(=O)O 36243555 GONDTQLELNWOGK-UHFFFAOYSA-N 255.071 2.103 0 30 CEAC O=C(O)C(F)(F)c1cccc(Br)n1 117020637 KSCPFQKBKNKQCK-UHFFFAOYSA-N 252.014 2.021 0 30 CEAC CCOC(=O)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1 5857667 UWQQUFIYYKCZGB-MWLCHTKSSA-N 256.685 2.088 0 30 CEAC CC(C)(C)OC(=O)N1CC(Oc2ccnc(Cl)n2)C1 96304271 QTVCCFCXGYWJAD-UHFFFAOYSA-N 285.731 2.128 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCNC2)C1 334160068 KPUCPWPGEADPDP-YNEHKIRRSA-N 284.400 2.058 0 30 CEAC COc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1 5733076 YLQYOUPUVFQNLO-UHFFFAOYSA-N 260.245 2.043 0 30 CEAC O=C(NC1Cc2ccccc2C1)c1ccccc1O 39073215 NWYOEWLQZLIDOZ-UHFFFAOYSA-N 253.301 2.289 0 30 CEAC CN(C)CC(=O)C(O)(c1ccccc1)c1ccccc1 3609484 FZGVCLIXODMNBV-UHFFFAOYSA-N 269.344 2.053 0 30 CEAC CN1C=CC=C/C1=C1\N=C(c2ccccc2)OC1=O 100393600 BITUDWGONJCQTJ-OUKQBFOZSA-N 252.273 2.217 0 30 CEAC NC[C@@H](O)c1cc(Cl)cc(Br)c1 84586259 HACOVPMPGLSJGK-MRVPVSSYSA-N 250.523 2.095 0 30 CEAC Cc1nc2ccccn2c1-c1ccnn1C(=O)c1ccno1 123941 SFBSOWRLSKYPEI-UHFFFAOYSA-N 293.286 2.183 0 30 CEAC CCCC[C@@H](CC)CO[P@](=O)(O)OCCO 33609449 VCSZVNWYOBIYIV-SNVBAGLBSA-N 254.263 2.329 0 30 CEAC CCCc1nc(C(=O)OCC)c([C@](C)(O)CC)[nH]1 34459096 UDEWGNFXYCGRJV-CYBMUJFWSA-N 254.330 2.156 0 30 CEAC in-vitro CCOC(=O)CNC(=O)Nc1ccc(Cl)cc1 3170925 BEGFXMPBKMPTPY-UHFFFAOYSA-N 256.689 2.025 0 30 CEAC COC(=O)c1ccncc1C(=O)Nc1ccc(C)cc1 93304 JMBDBFYMMGFMMF-UHFFFAOYSA-N 270.288 2.429 0 30 CEAC CC(C)(C)OC(=O)NCCOc1ccc(C=O)cc1 32113868 CNHQURYHQWUQLL-UHFFFAOYSA-N 265.309 2.403 0 30 CEAC CNCC[C@]1(c2ccc(OC)c(OC)c2)C=C[C@@H](O)CC1 85953278 RPZQWNSMMCKOSH-PBHICJAKSA-N 291.391 2.262 0 30 CEAC CC(C)(C)OC(=O)N1CCN(c2ccccc2)C(=O)C1 150043462 AJTLOHXGSORWSD-UHFFFAOYSA-N 276.336 2.270 0 30 CEAC CC(C)(C)OC(=O)Nc1ccc(CCCN)cn1 238203561 WMSKLQRFXIQIQE-UHFFFAOYSA-N 251.330 2.320 0 30 CEAC CCCCOC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C 32149671 JYZZGZVAOFYMDY-QMMMGPOBSA-N 269.263 2.033 0 30 CEAC CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCN 69506517 LNDHSAUHPLODOY-CYBMUJFWSA-N 259.353 2.068 0 30 CEAC in-vitro COC(=O)C[C@](C)(N)c1ccc(Br)cc1 86851576 ATCAGCZBJYMTBX-NSHDSACASA-N 272.142 2.186 0 30 CEAC CCCC[C@@H](CC)COCCOP(=O)(O)O 5821826 VUDMTCUUMKXFTD-SNVBAGLBSA-N 254.263 2.329 0 30 CEAC O=C1Oc2ccccc2C(=O)[C@H]1[C@@H]1NCCc2ccccc21 957719812 QHSARIJIZBWQFH-HZPDHXFCSA-N 293.322 2.292 0 30 CEAC O[C@]1(C(F)(F)F)CC(c2cc3ccccc3o2)=NN1 171522 HXLGPNZPACDNQP-NSHDSACASA-N 270.210 2.381 0 30 CEAC c1ccc([C@@H]2Cn3nnnc3-c3ccccc3O2)cc1 173740 DQJUEIOCFDEEIU-AWEZNQCLSA-N 264.288 2.474 0 30 CEAC CSC1=NNC(c2ccc(C(C)(C)C)cc2)=NN1 13658604 TUBZMPYHZNQSFL-UHFFFAOYSA-N 262.382 2.473 0 30 CEAC NCCNC(=O)c1ccc(-c2ccc(Cl)c(F)c2)[nH]1 725712366 CCVYCNAAAAVKEN-UHFFFAOYSA-N 281.718 2.163 0 30 CEAC CCOC(=O)[C@H](CC(=O)c1ccc(OC)cc1)C(C)=O 39350427 HJAAQGWRRFXKKN-CYBMUJFWSA-N 278.304 2.036 0 30 CEAC O=C(O)C[C@@H](NC(=O)OCc1ccccc1)C1CC1 38580575 KTNFIIVAHZGIKA-GFCCVEGCSA-N 263.293 2.166 0 30 CEAC CC(C)c1nn(-c2cc(C(F)(F)F)ccn2)c(=O)o1 78079 RLIFOVIAJQGALR-UHFFFAOYSA-N 273.214 2.363 0 30 CEAC O=Cc1nnc(-c2ccc(Br)cc2)o1 95642139 KFCRBEMGPOWKEH-UHFFFAOYSA-N 253.055 2.312 0 30 CEAC CCOc1cc(/C=C/S(C)(=O)=O)ccc1OC 1774020846 FLRVGRARDLFNBV-BQYQJAHWSA-N 256.323 2.109 0 30 CEAC COC(=O)c1cc(NC(=O)OC(C)(C)C)c(C=O)cn1 309963008 JIDOSEAOEWSKEN-UHFFFAOYSA-N 280.280 2.028 0 30 CEAC O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccn1 250652619 ROBXPKYRUKXCDH-CABCVRRESA-N 282.343 2.382 0 30 CEAC O=C(NC(=S)Nc1cccc2nonc12)c1ccccc1 69975 DGQTUBGUJRJBOD-UHFFFAOYSA-N 298.327 2.350 0 30 CEAC OCCNC(=S)Nc1cccc(Cl)c1Cl 13659009 MPGDBBHJCBVUDZ-UHFFFAOYSA-N 265.165 2.272 0 30 CEAC CN1[C@H]2CC[C@H]1CC(NC(=O)c1c(F)cccc1F)C2 100248127 KVUXJZSMPXQEJH-QWRGUYRKSA-N 280.318 2.320 0 30 CEAC CCOCCN(CC)Cc1ccc(CNC)cc1 113354443 WLKCCKGGUXUDIE-UHFFFAOYSA-N 250.386 2.264 0 30 CEAC CN1CCN(CCOc2ccccc2Br)CC1 116936306 UGDZXUMVUMKQRU-UHFFFAOYSA-N 299.212 2.075 0 30 CEAC CC(C)(C)OC(=O)N1CCCCC[C@@H]1C1CNC1 307646807 BXSICPVDPAXVJE-GFCCVEGCSA-N 254.374 2.386 0 30 CEAC CC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1 155556 DWJUPFNSJFUPCD-UHFFFAOYSA-N 292.335 2.475 0 30 CEAC CC(C)(C)OC(=O)c1cc(Br)c[nH]c1=O 39642716 UQFNNGABUQYBHY-UHFFFAOYSA-N 274.114 2.093 0 30 CEAC CC(C)(C)OC(=O)N1CCc2nc[nH]c2C12CCOCC2 390822210 URJNLKAIOCSMBH-UHFFFAOYSA-N 293.367 2.209 0 30 CEAC CCOc1cc(N2CCN(C(C)C)CC2)ccc1N 95943581 WUINXRLUBJGSIZ-UHFFFAOYSA-N 263.385 2.198 0 30 CEAC COC(=O)c1ccc(N)c(N(C)C(=O)OC(C)(C)C)c1 98181522 GBXCCFPWKXOVMP-UHFFFAOYSA-N 280.324 2.427 0 30 CEAC CCCCCCCC(=O)O[C@H](C[N+](C)(C)C)C(=O)O 100062232 WDHMEISRICUCDU-GFCCVEGCSA-O 274.381 2.050 0 30 CEAC CCC(=O)NCC[C@@H]1CCc2cc(O)c3c(c21)CCO3 44699641 FRMQCJSLRUTQQH-JTQLQIEISA-N 275.348 2.273 0 30 CEAC in-vitro O=C1OCc2ccc(NC(=O)c3ccccc3C(=O)O)cc21 146627 WXCOVSNVWAIGIV-UHFFFAOYSA-N 297.266 2.308 0 30 CEAC CCOC(=O)NC(=S)Nc1ccc(F)cc1F 172812 VLOKSUFOBJPLMV-UHFFFAOYSA-N 260.265 2.408 0 30 CEAC CC[C@@H]1C[C@@H](O)c2c(OC)cccc2[C@@H]1C(=O)OC 223749932 FIUYHPMYPVTZRO-IRUJWGPZSA-N 264.321 2.415 0 30 CEAC COc1ccc([C@]2(O)Cc3ccccc3C3=NCCN32)cc1 27859797 JAHZSXVGNHTXMR-GOSISDBHSA-N 294.354 2.159 0 30 CEAC CCc1ccc(C=CC(=O)NC2=NCCS2)cc1 2265356132 MTLJBAFNMHPGBV-UHFFFAOYSA-N 260.362 2.481 0 30 CEAC COC(=O)[C@H]1CCc2cnn(-c3ccccc3)c2C1 260895415 HGEQBNMSCMNYLS-NSHDSACASA-N 256.305 2.150 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)O)C[C@H]2C1 757120273 DFEAEILULKWLCN-TVQRCGJNSA-N 255.314 2.108 0 30 CEAC O=C1NC(=O)C(=Cc2c[nH]nc2-c2ccccc2)S1 2265278927 ZPVPFXUXYHYJKD-UHFFFAOYSA-N 271.301 2.401 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]2(C(=O)O)C1 2265378614 IXSXGCYECFJHSJ-NOZJJQNGSA-N 255.314 2.108 0 30 CEAC O=C(O)CCc1cnc2cccc(Br)n12 211237537 MYUBGKKVYGHBKY-UHFFFAOYSA-N 269.098 2.114 0 30 CEAC CN1[C@H](c2ccccc2)CC(=O)[C@@]2(O)CCCC[C@H]12 1043976 HKCYHEPGBFQGFR-OFQRWUPVSA-N 259.349 2.306 0 30 CEAC C[C@@H]1CN(C)[C@H](C)C[C@H]1N1N=C(c2ccccc2)CC1=O 33639271 JREBIAFWXAAHMJ-XJKCOSOUSA-N 285.391 2.352 0 30 CEAC Cc1ccc(C(N)=O)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 34619856 UNQVUAWNRBAILY-UHFFFAOYSA-N 299.286 2.254 0 30 CEAC Nc1ncnc2c1cnn2-c1cccc(Br)c1 41474580 FDGAKGGKOJTCTR-UHFFFAOYSA-N 290.124 2.160 0 30 CEAC COC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 76858056 ADEPCDOPYIWFOH-NXEZZACHSA-N 257.330 2.243 0 30 CEAC CCn1c(CN)nc2cc(Br)ccc21 37441438 VDQZWQIWJJVFRQ-UHFFFAOYSA-N 254.131 2.277 0 30 CEAC in-vitro CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O 211660969 HTVUZWNAUSJSOF-ZYUZMQFOSA-N 255.314 2.010 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](c2nocc2C(=O)O)C1 2265385011 PHECNNAZQMNTRF-MRVPVSSYSA-N 282.296 2.097 0 30 CEAC CCN(/C=C/c1nnnn1-c1ccc(C)cc1)CC 63591223 WAEAOOOBMCDKHN-ZHACJKMWSA-N 257.341 2.283 0 30 CEAC O=C(OCc1ccccc1)N1CC[C@H]2NCCC[C@@H]2C1 306174968 MNVMONKUQOPRJD-HUUCEWRRSA-N 274.364 2.397 0 30 CEAC C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NC1CC1 39073382 UUPRZHFECHMJNI-IUODEOHRSA-N 258.365 2.033 0 30 CEAC O=C1CC2(CCNCC2)Oc2cc(Cl)ccc21 72233030 BLMYGEFAABLOOJ-UHFFFAOYSA-N 251.713 2.427 0 30 CEAC COC(=O)c1csc2c(C(F)(F)F)cc(=O)[nH]c12 82913 ITGNLLOYEGZIJK-UHFFFAOYSA-N 277.223 2.395 0 30 CEAC CC(=O)Nc1ccc2cc(S(=O)(=O)O)ccc2c1 5160873 ANUPUAXCNMXHNF-UHFFFAOYSA-N 265.290 2.045 0 30 CEAC CCCC[C@@H](CC)CN(CCC(=O)O)CCC(=O)O 38652125 OAHNQUKKWVAYGR-GFCCVEGCSA-N 273.373 2.454 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CCC2(CC[C@H]2CN)CC1 257866558 DACFQDLBOZYRIQ-NSHDSACASA-N 254.374 2.372 0 30 CEAC CC(C)(C)OC(=O)N1c2cccnc2C(C)(C)[C@@H]1O 953116980 GYZRVVYVMNOREO-NSHDSACASA-N 264.325 2.433 0 30 CEAC COC(=O)c1cc(Br)c(C=O)cc1F 584598691 DOIAVGSPVLUXFS-UHFFFAOYSA-N 261.046 2.187 0 30 CEAC CC(=O)N1[C@@H](C)NC(=O)C1(c1ccccc1)c1ccccc1 223538168 MFRHEJJAXGKJIQ-ZDUSSCGKSA-N 294.354 2.255 0 30 CEAC CC(C)(C)OC(=O)Cn1c(S)nc2ccccc2c1=O 2265385809 XGHRQGPRBABTLL-UHFFFAOYSA-N 292.360 2.027 0 30 CEAC COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1 247866001 XSLQHUFDALMSHE-CDGCEXEKSA-N 271.316 2.236 0 30 CEAC O=C(O)[C@@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 407987075 YMMKNFMTCXHMIM-ZWNOBZJWSA-N 276.267 2.174 0 30 CEAC c1ccc(Sc2nc(-c3ccncc3)n[nH]2)nc1 31554169 IVHJYIJZCMADLP-UHFFFAOYSA-N 255.306 2.413 0 30 CEAC CC(C)CC(=O)[C@H]1C(=O)C[C@]2(CCC(C)(C)O2)C1=O 100126487 NDWVLRIACYVJEO-SWLSCSKDSA-N 266.337 2.088 0 30 CEAC Cc1noc(C)c1S(=O)(=O)N(C)C1CCCCC1 155298 CSHIUWGZDLBJQB-UHFFFAOYSA-N 272.370 2.245 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](CCC(F)F)C(=O)O 716266693 FONPOKVADVHMTQ-LURJTMIESA-N 253.245 2.010 0 30 CEAC COCOc1ccccc1I 36406663 KGARCSYHUWHUMQ-UHFFFAOYSA-N 264.062 2.274 0 30 CEAC OC[C@@H](c1ccccc1)N1CCCC[C@@]12CCCNC2 83301228 HMEPRNJLXKLLQK-IRXDYDNUSA-N 274.408 2.328 0 30 CEAC CCCOc1ccccc1C(=O)NCCN1CCCC1 1855557 ZEKKGCNVBCOGIH-UHFFFAOYSA-N 276.380 2.301 0 30 CEAC C[C@H](c1ccc(O)cc1)[C@@H](N)C(=O)OC(C)(C)C 2265385459 BXBGDFWPCCOEMX-BXKDBHETSA-N 251.326 2.165 0 30 CEAC O=c1cc(CSc2ccc(Cl)cc2)[nH]c(=O)[nH]1 132102 OAEHOZZVVQMUOW-UHFFFAOYSA-N 268.725 2.009 0 30 CEAC Cc1cc(=O)[nH]c(COc2ccc(Cl)cc2)n1 5176594 FPFYLWAZAYMBLY-UHFFFAOYSA-N 250.685 2.311 0 30 CEAC C[C@H](CO)Oc1ccccc1I 90697611 FGSMCNNXQKNKTN-SSDOTTSWSA-N 278.089 2.051 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](C23CC(O)(C2)C3)C1 2265385432 XEOBLHZWINHPKW-FNBIGBAISA-N 253.342 2.158 0 30 CEAC N[C@H](c1cc(Br)ccn1)C(F)(F)F 238618204 QLFQQSHAAOBALM-ZCFIWIBFSA-N 255.037 2.406 0 30 CEAC Cn1nccc1NC(=O)C[C@@H](CC(=O)O)c1ccccc1 153160 GHUGHLWLVBGWOP-LBPRGKRZSA-N 287.319 2.007 0 30 CEAC CN(Cc1ccccc1N)C[C@H](O)c1ccccc1 33979552 DVGIYWMJXYCEFJ-INIZCTEOSA-N 256.349 2.434 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H]2CCCNC[C@@H]2C1 98090093 XTHNUAFJOORFFY-VXGBXAGGSA-N 254.374 2.243 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 299805591 WEVXOHPKRWIQJW-INIZCTEOSA-N 290.363 2.051 0 30 CEAC CCOc1ccc(Br)cc1CN1CCNCC1 71451579 UZRALNJEFUKZRK-UHFFFAOYSA-N 299.212 2.253 0 30 CEAC O=C(c1cccnc1)N1CCCc2cccc(O)c21 33606752 GUQABSUKMJPZHH-UHFFFAOYSA-N 254.289 2.380 0 30 CEAC O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccnc1 69271620 YXZAZCSMEVXHPI-JKSUJKDBSA-N 282.343 2.382 0 30 CEAC COC(=O)c1cc(S(=O)(=O)C(C)C)c(SC)s1 125447 GXTLWTQCJFHOIV-UHFFFAOYSA-N 294.419 2.439 0 30 CEAC O=C(NCc1ccccc1)c1ccc2nonc2c1 171370 HJFIHLVMXKWFPC-UHFFFAOYSA-N 253.261 2.153 0 30 CEAC CC(F)(F)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 113632666 NLNAXEQQJLNSSA-ZCFIWIBFSA-N 253.245 2.010 0 30 CEAC O=C(O)/C=C/C(=O)NCc1ccc(Cl)c(Cl)c1 12368496 HRIYGWKTHCAAOR-ONEGZZNKSA-N 274.103 2.250 0 30 CEAC CC(C)(C)OC(=O)N1CCNC[C@H]1CC(F)(F)F 95642295 QDJQPSDQSUMFFG-MRVPVSSYSA-N 268.279 2.148 0 30 CEAC O=C(O)/C=C/c1cc([N+](=O)[O-])ccc1Br 144520753 NDYQJOUGAVQEQR-DAFODLJHSA-N 272.054 2.455 0 30 CEAC in-vitro Cc1ccc(C(=O)[C@@H]2C[C@@H](O)CC[C@H]2C(=O)O)cc1 32099119 WJIZVTKMGRMHEB-YNEHKIRRSA-N 262.305 2.040 0 30 CEAC NC(=S)[C@H](NC(=O)c1ccccc1)c1ccccc1 40452025 IFZHNJJPBSKUJB-CYBMUJFWSA-N 270.357 2.444 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1Cc2cc(F)ccc2C1=O 221150886 OUDVXHNIZDJFOQ-LLVKDONJSA-N 265.284 2.458 0 30 CEAC CCOC(=O)C1=NN(c2ccc(F)cc2F)[C@H](OCC)C1 96300582 VSMJFTWQYFYUAL-CYBMUJFWSA-N 298.289 2.457 0 30 CEAC C1=C[C@@H]2[C@H](C1)[C@H]1N=N[C@H]2[C@H]2[C@@H]1[C@H]1C[C@H]2[C@H]2ON=C[C@@H]12 252595499 CAZOBHQZGCRZEA-ZUHZVTTJSA-N 255.321 2.278 0 30 CEAC O=C1CCC(=O)N1CNc1ccccc1C(F)(F)F 138666 QELOCRSMCSUZSY-UHFFFAOYSA-N 272.226 2.224 0 30 CEAC Cn1cnnc1SCC(=NO)c1ccc(Cl)cc1 254532669 IMPAGAWSTRALIZ-UHFFFAOYSA-N 282.756 2.439 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H]2C[C@@]2(C(=O)O)C1 2265378616 IXSXGCYECFJHSJ-TVQRCGJNSA-N 255.314 2.108 0 30 CEAC O=S(=O)(N[C@H]1CCSC1)c1ccc(Cl)cc1 141784 BCAOQJMWZXYXNE-VIFPVBQESA-N 277.798 2.124 0 30 CEAC O=C(O)C=CC(=O)c1ccc(Br)cc1 17301112 CJNVLFPUEBQQMZ-UHFFFAOYSA-N 255.067 2.273 0 30 CEAC CCCCNc1ncnc2c1nnn2Cc1ccccc1 6853555 CAHSQWPNJDCIDU-UHFFFAOYSA-N 282.351 2.482 0 30 CEAC COc1cc(C(F)(F)F)n2ncc(C(=O)O)c2c1 91690862 VVDKHSHPLXONHV-UHFFFAOYSA-N 260.171 2.060 0 30 CEAC COc1ccc(C(=NN)C2C(=O)c3ccccc3C2=O)cc1 254307498 GIBSJGBXFXOGKP-UHFFFAOYSA-N 294.310 2.053 0 30 CEAC CCOC(=O)C(C)(C(=O)OCC)c1ccc(N)c(Cl)c1 38611924 NSBHZWDHFJHECC-UHFFFAOYSA-N 299.754 2.306 0 30 CEAC Cc1ccc(OC[C@H](O)CNCc2ccco2)cc1C 66431 SZLKOIDYESUBQS-CQSZACIVSA-N 275.348 2.426 0 30 CEAC O=C(OCc1ccccc1)N1CC[C@@H]2NCCC[C@H]2C1 306174965 MNVMONKUQOPRJD-GJZGRUSLSA-N 274.364 2.397 0 30 CEAC O=C(NCc1cccnc1)c1cccc2c1OCCCO2 130041 KPQCCUDDNRZBLO-UHFFFAOYSA-N 284.315 2.173 0 30 CEAC O=c1[nH]c2ccccc2c(=O)n1CCCNc1ccccc1 6733645 XMBDZLZBEIMRGV-UHFFFAOYSA-N 295.342 2.192 0 30 CEAC CC(C)(C)OC(=O)NC[C@]12CCCC[C@@H]1CNC2 32625258 OCBLBCHMNLRFCF-BXUZGUMPSA-N 254.374 2.291 0 30 CEAC CCOC(=S)CNC(=O)OCc1ccccc1 196286081 ZDMDPWZIBHMTHO-UHFFFAOYSA-N 253.323 2.277 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cccnc2)C1 34400957 QKWFUCCCHPAYKJ-AWEZNQCLSA-N 291.395 2.428 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](CN)[C@@H]1c1cccnc1 396153471 CFEYMEPCXVSBOI-WCQYABFASA-N 277.368 2.338 0 30 CEAC CC(C)(O)C(C)(C)OB(O)c1ccc(-c2ccncc2)cc1 198408459 FZMPSWWYFIDOAZ-UHFFFAOYSA-N 299.179 2.002 0 30 CEAC CCCC[C@](C)(COC(N)=O)COC(=O)NCCC 5822269 CQDBDTSGRAWSKF-CYBMUJFWSA-N 274.361 2.414 0 30 CEAC O=c1[nH]c2cc(Cl)ccc2n1N1CCCCC1 95933112 XZCPIYIKPPBASX-UHFFFAOYSA-N 251.717 2.105 0 30 CEAC CC[C@H](C)OC(=O)[C@@H]1CCCCN1C(=O)C(F)(F)F 32221326 WPEYTXDPQFFBSD-IUCAKERBSA-N 281.274 2.272 0 30 CEAC COC(=O)c1cc(OC)c(C)c(Br)c1O 716337994 WYGBFRYZYVGSBP-UHFFFAOYSA-N 275.098 2.258 0 30 CEAC O=C(CCOc1ccc(F)cc1)N1CCSCC1 107275 WKRDDFLIYSQAFI-UHFFFAOYSA-N 269.341 2.170 0 30 CEAC CCOC(=O)[C@@H](CC(=O)c1cccc(OC)c1)C(C)=O 41431909 WASNGNOCYWVARI-ZDUSSCGKSA-N 278.304 2.036 0 30 CEAC COC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O 72416827 BTQLCSFPWCLGHF-UHFFFAOYSA-N 263.680 2.482 0 30 CEAC CCOC(=O)[C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 259778790 UUBKHANXCHHCFT-GHMZBOCLSA-N 271.357 2.443 0 30 CEAC Cc1n[nH]c(C)c1Sc1nnnn1-c1ccccc1 124468 CJWQPVPHJBIEHL-UHFFFAOYSA-N 272.337 2.153 0 30 CEAC COC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O 84639627 UMLOEDKTWXWYHA-VIFPVBQESA-N 265.092 2.472 0 30 CEAC Cc1cccc(C)c1OC(=O)NCCN1CCCC1 1995398 OPVXXLCGIJTIJG-UHFFFAOYSA-N 262.353 2.488 0 30 CEAC CN(Cc1cccnc1)C(=O)c1cccc2nsnc12 12366669 KOVZESOCTKMPKG-UHFFFAOYSA-N 284.344 2.359 0 30 CEAC CN1CCC2(CC1)C[C@@H](N)c1cc(F)ccc1O2 75755099 YYDCZPFQAHZDPL-GFCCVEGCSA-N 250.317 2.072 0 30 CEAC c1ccc([C@H]2Cn3nnnc3-c3ccccc3O2)cc1 173739 DQJUEIOCFDEEIU-CQSZACIVSA-N 264.288 2.474 0 30 CEAC CC1(C)N=C(N)N=C(N)N1c1c(Cl)cccc1Cl 71371 OOGAEDMXJRVYCH-UHFFFAOYSA-N 286.166 2.179 0 30 CEAC O=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1F 37518247 SATTXAWNONVPLP-RQJHMYQMSA-N 257.648 2.138 0 30 CEAC CC(=O)CC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 34078580 FGLZSMQQMLZMEX-OAHLLOKOSA-N 275.348 2.173 0 30 CEAC [C-]#[N+]/C(Cl)=C\[C@@]1(OC(C)=O)C(=O)Nc2ccccc21 85594521 NFAZQDQNOPUWCO-YLBKJLTLSA-N 276.679 2.397 0 30 CEAC CNC(=O)Oc1ccc(I)cc1 166878029 QNIHYJTWLJQHSY-UHFFFAOYSA-N 277.061 2.009 0 30 CEAC COc1cccc(NC(=S)NC(C)(C)CCO)c1 136876 AYEBQAVTJXFPNS-UHFFFAOYSA-N 268.382 2.143 0 30 CEAC C[C@@H]1CC(=O)c2cc(S(=O)(=O)O)sc2S1 137706198 URRUPLXHINNWCE-SCSAIBSYSA-N 264.349 2.062 0 30 CEAC Cc1ccc(F)cc1N1C(=O)c2cccnc2C1=O 102593 XSWLAKKZSSIGID-UHFFFAOYSA-N 256.236 2.330 0 30 CEAC COc1nc(OC)nc(N2CCCc3cccc(C)c32)n1 67298 JDIURBAAPMQTDE-UHFFFAOYSA-N 286.335 2.282 0 30 CEAC O=C(NCc1ccncc1)c1ccc(-n2cccn2)cc1 154773 BUXPTMYUIMEKBI-UHFFFAOYSA-N 278.315 2.197 0 30 CEAC COC(=O)c1snc(-c2ccccc2F)c1N 88645776 PKOKDKIZBJAGNI-UHFFFAOYSA-N 252.270 2.318 0 30 CEAC in-vitro CC(C)(CC(=O)O)CC(=O)Nc1ccc2c(c1)C(=O)OC2 146623 JKKHQBHRUIUZSI-UHFFFAOYSA-N 291.303 2.187 0 30 CEAC Cc1cccc(C2(C(=O)N3CCCC3)CCNCC2)c1 33607406 IXSJBJNKASGMLL-UHFFFAOYSA-N 272.392 2.239 0 30 CEAC CCOC(=O)[C@H](O)c1ccc(OC)c(Br)c1 50976003 ZUSFPYSSNMCSOL-SNVBAGLBSA-N 289.125 2.054 0 30 CEAC in-vitro CN1C(=O)CN[C@@H](c2ccccc2)c2ccccc21 84590252 QMZATPDNVWNTGO-INIZCTEOSA-N 252.317 2.342 0 30 CEAC O=C1NCCn2nc(-c3ccc(Br)cc3)cc21 96028956 VOTXWIKJVILZBV-UHFFFAOYSA-N 292.136 2.056 0 30 CEAC C[Sn](C)(C)I 195769579 XGRPNCOKLIMKBN-UHFFFAOYSA-M 290.720 2.256 0 30 CEAC Cc1cc(C(=O)Nc2nn(C)c3ccccc23)no1 146185 WPMMUXPTCRUHSY-UHFFFAOYSA-N 256.265 2.122 0 30 CEAC COc1ccc([C@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc1 4370981 FFOGITXWOOXGEE-QWRGUYRKSA-N 267.350 2.262 0 30 CEAC CCOC(=O)c1cccc(CNC(=O)OC(C)(C)C)n1 220235962 FRQITOIRVNNQFR-UHFFFAOYSA-N 280.324 2.283 0 30 CEAC Cc1cc(NC(=O)CC2(CC(=O)O)CCCC2)n(C)n1 148543 NWZIRIOUSJAIHN-UHFFFAOYSA-N 279.340 2.092 0 30 CEAC C[C@@H](N)c1c(F)cccc1I 83592897 VYAUATMUPPWROE-RXMQYKEDSA-N 265.069 2.450 0 30 CEAC CCOC(=O)Nc1nnc(SC(=O)OCC)s1 5650615 VHIGDMHBSGYTSE-UHFFFAOYSA-N 277.327 2.355 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](CCC(=O)O)COC1(C)C 118650061 PXCSPPQQGFVQPU-SECBINFHSA-N 273.329 2.223 0 30 CEAC C[C@@H]1C[C@@H]2O[C@@H]2C[C@@H]1COC(=O)[C@@H]1C[C@@H]2O[C@H]2C[C@H]1C 230543250 GRWFFFOEIHGUBG-PPAVVJMBSA-N 280.364 2.157 0 30 CEAC in-vitro COC1=NCC2(CC1)CN(C(=O)OC(C)(C)C)C2 642883413 VSIUBIZDMHJESE-UHFFFAOYSA-N 254.330 2.062 0 30 CEAC O=C(O)c1ccccc1Nc1cccc(S(=O)(=O)O)c1 3609635 FNAKUEGSLRUPTF-UHFFFAOYSA-N 293.300 2.375 0 30 CEAC COc1cc([C@@H](N)C(F)(F)F)cc(OC)c1OC 68812515 DTMMWTIWVAGCLH-SNVBAGLBSA-N 265.231 2.275 0 30 CEAC in-vitro CSCC[C@@H]1C(=O)N(c2ccccc2)C(=O)N1C(C)=O 33604963 MRYWQGMOWDVQGJ-GFCCVEGCSA-N 292.360 2.123 0 30 CEAC COC(=O)c1cnc(O)c2ccc(Br)cc12 260040905 CWROOOZGKULGKK-UHFFFAOYSA-N 282.093 2.490 0 30 CEAC COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 13476909 NTYATEQGMUSJQM-CHWSQXEVSA-N 251.301 2.034 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(N)cn2)C1 116888669 GTEFUHRBXXWZIJ-LLVKDONJSA-N 266.345 2.037 0 30 CEAC Cc1ccc(Oc2c([N+](=O)[O-])c(C)nn2C)c(O)c1 39133528 MZYKMFWALGFMAM-UHFFFAOYSA-N 263.253 2.443 0 30 CEAC CC(C)(O)C(C)(C)OB(O)CCc1ccccc1 200338748 HUKRDENORDLIJE-UHFFFAOYSA-N 250.147 2.276 0 30 CEAC O=S(=O)(C=Cc1ccccc1)NCc1ccco1 2265321742 NTHXERGYALKJJD-UHFFFAOYSA-N 263.318 2.370 0 30 CEAC Cn1nc(I)c2c(Cl)ccnc21 225566393 QGKZXYVFLSHZME-UHFFFAOYSA-N 293.495 2.226 0 30 CEAC CC1(C)c2ccccc2-n2c1cc1oc(=O)cc(O)c1c2=O 15923715 FWVULZVPJPVTMT-UHFFFAOYSA-N 295.294 2.289 0 30 CEAC Clc1cccc(SCCN2CCOCC2)n1 31291716 IEZSLVKNOOIGQP-UHFFFAOYSA-N 258.774 2.159 0 30 CEAC in-man CN(CCN(C)C(=O)OC(C)(C)C)CC(F)F 95883462 BXPZYCTUVKWDQT-UHFFFAOYSA-N 252.305 2.050 0 30 CEAC CC(C)(C)OC(=O)N1CCNC[C@@H]1C1CCCC1 95752803 FHELQHJSNKQZRA-GFCCVEGCSA-N 254.374 2.386 0 30 CEAC CC(C)(C)OC(=O)N1C[Si]2(CCCC2)C[C@@H]1C(=O)O 238213105 RAHURYMPBZXVEG-SNVBAGLBSA-N 285.416 2.472 0 30 CEAC CC(C)(C)OC(=O)[C@@H](N)Cc1csc(Cl)n1 700343632 UUAMQLIWUHZYMR-ZETCQYMHSA-N 262.762 2.008 0 30 CEAC CC(C)(C)OC(=O)NCc1ccc([N+](=O)[O-])c(CO)c1 139287613 WXGGRWSBUZTEHY-UHFFFAOYSA-N 282.296 2.112 0 30 CEAC Brc1cccc(OC2CCOCC2)n1 34936260 VLEKIKTZHYMZEW-UHFFFAOYSA-N 258.115 2.402 0 30 CEAC NC(=S)c1ccc(N2CCC(C(F)(F)F)CC2)nc1 20230183 VDSNDASHIUJTPY-UHFFFAOYSA-N 289.326 2.495 0 30 CEAC c1ccc(C[C@@H]2COCc3nn(-c4ccccc4)c[n+]32)cc1 215142720 QOMHPIQIVNNPKJ-QGZVFWFLSA-N 292.362 2.474 0 30 CEAC CC(C)(C)OC(=O)NCCNC(=O)Oc1ccccc1 133360081 LDHBTYGTCBUTLL-UHFFFAOYSA-N 280.324 2.300 0 30 CEAC COC(=O)c1c(F)cc(Br)c(N)c1C 215586061 XBDCKXXDSMCUPE-UHFFFAOYSA-N 262.078 2.265 0 30 CEAC CC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 157386 KCQAJLHKKNNARQ-UHFFFAOYSA-N 287.344 2.212 0 30 CEAC CC(=O)NC[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 5196949 SGZVEWGAZGOWGP-XGWLTEMNSA-N 297.402 2.264 0 30 CEAC in-man CC(C)N1CCN(c2ncccc2Br)CC1 42376311 ATKQWZDIJUCAAA-UHFFFAOYSA-N 284.201 2.375 0 30 CEAC CC(C)(C)OC(=O)N1c2cccnc2C(C)(C)[C@H]1O 953116976 GYZRVVYVMNOREO-LLVKDONJSA-N 264.325 2.433 0 30 CEAC CN(C)C=CC(=O)Nc1ccc(Br)cc1 2265228144 TUWQIVGBRSMTFB-UHFFFAOYSA-N 269.142 2.463 0 30 CEAC CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)C1CCNCC1 58040516 OPBQFEKVHILSDN-ZDUSSCGKSA-N 284.400 2.155 0 30 CEAC CN[C@@H](C(=O)O)c1c[nH]c2cc(Br)ccc12 100910393 OEMNNAMYHFFZDG-SNVBAGLBSA-N 283.125 2.276 0 30 CEAC O=C1C=CC(=O)N1c1cc(F)c(Br)cc1F 4324179 VAMQLZCXRXXOSK-UHFFFAOYSA-N 288.047 2.157 0 30 CEAC COC(=O)c1cc(Br)c2c(c1)CCN2 259334581 GUWZMODLGKNYOC-UHFFFAOYSA-N 256.099 2.204 0 30 CEAC N[C@H](C(=O)O)c1ccc(SC(F)(F)F)cc1 19427186 YZMCWXXDCWXRPT-ZETCQYMHSA-N 251.229 2.383 0 30 CEAC in-vitro CCOC(=O)[C@H]1[C@H]2C[C@@H](C[C@@H]2F)N1C(=O)OC(C)(C)C 396483400 HPRGBCBVSRQVMV-XWLWVQCSSA-N 287.331 2.286 0 30 CEAC CC(C)(C)c1ccc(NC(=S)NCCO)cc1 4361884 MPTLLGYPKDYBRQ-UHFFFAOYSA-N 252.383 2.263 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCCN[C@H]2C1(C)C 693439962 MLXJBKHMCNCGQA-HBNTYKKESA-N 254.374 2.288 0 30 CEAC Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)no1 95073 FMCBKYJXOZPFON-UHFFFAOYSA-N 278.742 2.499 0 30 CEAC COc1cc(C2CC2)c2c(=O)nc(Cl)[nH]c2c1 136773912 ATBOVVAHYSKSGC-UHFFFAOYSA-N 250.685 2.463 0 30 CEAC CCCC[C@@]1(CCN2CCCCC2)C(=O)NC(=O)N=C1O 31283460 CEIAUYCMTWAQHU-UHFFFAOYSA-N 295.383 2.245 0 30 CEAC COC(=O)c1c(-c2ccccc2)noc1C(OC)OC 36469163 HRLNXRYVPNMOQZ-UHFFFAOYSA-N 277.276 2.420 0 30 CEAC CC(C)(C)OC(=O)N[C@@](C)(CC(=O)O)C(F)F 686851197 DBRXRCDSVNHQSP-JTQLQIEISA-N 253.245 2.010 0 30 CEAC O=C(OCc1ccccc1)N1CCC[C@@H]2CNCC[C@@H]21 605706893 CAYPZYOXNWSJPJ-CABCVRRESA-N 274.364 2.397 0 30 CEAC COc1ccc(Cn2cc(Cl)nc(C)c2=O)cc1 219790445 ADXSZDADOMCGFI-UHFFFAOYSA-N 264.712 2.262 0 30 CEAC O=C1C=CC(=O)N1Cc1ccc(C(F)(F)F)cc1 6251342 KJLLZMMXXWAFCQ-UHFFFAOYSA-N 255.195 2.130 0 30 CEAC Cc1cc(CCCNC(=O)OC(C)(C)C)nn1C 725712297 XXYSYUQADJYANN-UHFFFAOYSA-N 253.346 2.186 0 30 CEAC Cc1nccc(-c2nn(-c3ccc(F)cc3)ccc2=O)n1 123185 RECOCKAAIYVXKO-UHFFFAOYSA-N 282.278 2.137 0 30 CEAC CCOc1cc(N2CCN(C)C(C)(C)C2)ccc1N 96034547 LPRRRKQDHRUJRN-UHFFFAOYSA-N 263.385 2.198 0 30 CEAC in-vitro COc1ccc(CN2CCOCC23CC3)c(OC)c1 238854213 MWWBGQQYTOEGQW-UHFFFAOYSA-N 263.337 2.069 0 30 CEAC CC1(C)CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O 642880638 DZLFMERQFJNLBO-GFCCVEGCSA-N 277.320 2.366 0 30 CEAC Cn1c(SCC(=O)O)nc2cc(C(F)(F)F)cnc21 123227 PRYLJZMXNJIWEY-UHFFFAOYSA-N 291.254 2.164 0 30 CEAC Cc1ccc(S(=O)(=O)CCSc2ncccn2)cc1 148245 COJINOYLKOQPFP-UHFFFAOYSA-N 294.401 2.351 0 30 CEAC Cn1c(S)nnc1-c1ccc(OCC(F)(F)F)nc1 127085 KTRLMVWLLHLLCT-UHFFFAOYSA-N 290.270 2.107 0 30 CEAC CCOc1c(C(C)=O)c(=O)[nH]c2scc(C)c12 116056 WCLPKQOUYSKYHO-UHFFFAOYSA-N 251.307 2.499 0 30 CEAC CN(C)c1ccc(/C=C/C(=O)C(=O)O)c(Cl)c1 207368051 NRYWHEVMJPEZOH-GQCTYLIASA-N 253.685 2.073 0 30 CEAC CCNS(=O)(=O)c1cc(Cl)sc1Cl 1024280 KQDQINTXQXTLDF-UHFFFAOYSA-N 260.167 2.353 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H](Cn2cc(O)cn2)C1 885163425 XJRDSAYAJGJPPW-NSHDSACASA-N 281.356 2.236 0 30 CEAC CC(C)(C)OCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 133086752 CLZGRHJSOQWDPX-SECBINFHSA-N 275.345 2.170 0 30 CEAC O=C(NC1Cc2ccccc2C1)c1ccc2nonc2c1 171421 LJYHIRNBDORHSX-UHFFFAOYSA-N 279.299 2.120 0 30 CEAC COc1cc2c(cc1Br)OCCC2=O 218249004 JPHTVRRNMKSQLA-UHFFFAOYSA-N 257.083 2.423 0 30 CEAC CC1(C)COC(=O)[C@@H]2CC=CC[C@]2(C)C(=O)OC1 141953341 KTUZUPSQYOXSOR-HZMBPMFUSA-N 252.310 2.085 0 30 CEAC CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@@H]21 3873179 BIXJFIJYBLJTMK-BMIGLBTASA-N 254.333 2.030 0 30 CEAC biogenic,in-vitro C[C@@H]1CN1C(=O)CCCCCCCC(=O)N1C[C@H]1C 6031234 ACWZISJYAYAEPT-QJRTVWDNSA-N 266.385 2.179 0 30 CEAC CCOC(=O)[C@@H]1COc2ccc(Br)cc21 34108700 GLZYBYZLXGPTCX-SECBINFHSA-N 271.110 2.488 0 30 CEAC CN(C(=O)OCc1ccccc1)C1CCS(=N)(=O)CC1 642882263 LHKXMEBITNYPAW-UHFFFAOYSA-N 296.392 2.464 0 30 CEAC Cc1cc(Br)ccc1Nc1ncnc(N)n1 89354 FIMUTDIDLVAKJE-UHFFFAOYSA-N 280.129 2.268 0 30 CEAC CC(C)(C)OC(=O)[C@H](N)Cc1ccnc2ccccc12 136860207 BPIXCHJVULVDKG-CYBMUJFWSA-N 272.348 2.446 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C(=O)O)CCC[C@H]2C1 238856719 WYOZADCWRIFDFW-DCAQKATOSA-N 269.341 2.354 0 30 CEAC Cc1csc2ncc(I)n12 228005622 JCKGHZLZQYZUOV-UHFFFAOYSA-N 264.091 2.309 0 30 CEAC Cc1c(C)c(C)c(CNC(=O)/C=C/C(=O)O)c(C)c1C 97916 BKMVOTYYXWUCCW-VOTSOKGWSA-N 275.348 2.486 0 30 CEAC CCN1CN2CCc3c([nH]c4ccccc34)[C@H]2CC1=O 111891784 YAAQMVUNFNUTHE-CQSZACIVSA-N 269.348 2.277 0 30 CEAC COC(=O)c1ccc(Br)cc1[C@H](C)N 238380679 FKTRZVMYEOVEOF-LURJTMIESA-N 258.115 2.255 0 30 CEAC COC(=O)CSC(=O)N/C=C/c1ccsc1 2149293 AETRKYCBXFMWNJ-DUXPYHPUSA-N 257.336 2.335 0 30 CEAC C[C@H](CN1CCCCC1)C(=O)c1ccc(CO)cc1 77293515 MBFHFUBFALKDKH-CYBMUJFWSA-N 261.365 2.484 0 30 CEAC in-vitro CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1C 32267129 AZNISFZCSXEMJT-UHFFFAOYSA-N 281.352 2.242 0 30 CEAC CC(C)(C)OC(=O)N1CC(Oc2ccc(C=O)cc2)C1 223946216 DOXFYGKXIJWHCD-UHFFFAOYSA-N 277.320 2.497 0 30 CEAC Nc1snc(Br)c1Br 59750459 UCSVHPBSHQJZJQ-UHFFFAOYSA-N 257.938 2.250 0 30 CEAC Cc1nc(N)[nH]c(=O)c1Oc1cccc(C(F)(F)F)c1 13469664 WEOLXYKMOHWBNS-UHFFFAOYSA-N 285.225 2.472 0 30 CEAC O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1Cl 96330659 HPMVKTDKSDGJAG-UHFFFAOYSA-N 260.652 2.224 0 30 CEAC CCCCCCCC(=O)O[C@@H](C[N+](C)(C)C)C(=O)O 100062230 WDHMEISRICUCDU-LBPRGKRZSA-O 274.381 2.050 0 30 CEAC Cc1cc2c(Cl)ncc(I)n2n1 2265384916 HBVSFPYHIGBZGV-UHFFFAOYSA-N 293.495 2.296 0 30 CEAC O=C(O)CCCC(=O)N[C@H]1CCCc2ccccc21 4325186 BFSKGGPVYOCGLR-ZDUSSCGKSA-N 261.321 2.435 0 30 CEAC Cc1c(O)ccc(S(=O)c2ccc(O)c(C)c2O)c1O 6069025 LRCGUJDNHJWEOI-UHFFFAOYSA-N 294.328 2.293 0 30 CEAC Cc1ccc(S(=O)(=O)c2cn(-c3ccncc3)cn2)cc1 22000790 HDSPZYQTPAUMDB-UHFFFAOYSA-N 299.355 2.409 0 30 CEAC O=C(OCc1ccccc1)N1CC2(CCCCN2)C1 91690577 HROHYVVEODVWFR-UHFFFAOYSA-N 260.337 2.151 0 30 CEAC COC(=O)C1=C(Nc2ccc3c(c2)OCCO3)CSC1 149270 NWNJRVDOHNXSSB-UHFFFAOYSA-N 293.344 2.044 0 30 CEAC NCC1(O)CCN(c2ccnc3ccc(Cl)cc23)CC1 643053527 WZPRLFDOQWUUDE-UHFFFAOYSA-N 291.782 2.178 0 30 CEAC O=C1[C@H]2SCCN2C(=S)N1c1ccc(Cl)cc1 170713 UCXAZCSLNKFPFQ-SNVBAGLBSA-N 284.793 2.346 0 30 CEAC S=C(NCCc1ccccn1)N[C@@H]1C[C@H]2CC[C@H]1C2 102933968 OUSKFHAFKTWQAS-SGMGOOAPSA-N 275.421 2.277 0 30 CEAC CCOC(=O)[C@@H]1C[C@H](O)c2cc(Cl)ccc2O1 5857000 UWQQUFIYYKCZGB-ONGXEEELSA-N 256.685 2.088 0 30 CEAC CCCC[C@@H](CC)COCCOCCOCCO 5821825 GSKKPNMVOYDARW-CQSZACIVSA-N 262.390 2.245 0 30 CEAC CCOC(=O)c1sc([S@](C)=O)c2c1CCCC2=O 4349679 GCTHVQOLDZPMKG-GOSISDBHSA-N 286.374 2.181 0 30 CEAC O=C(Nc1ccccc1C(=O)O)c1cccc(O)c1 21963831 UHYWVEURSKDJJI-UHFFFAOYSA-N 257.245 2.343 0 30 CEAC CCOC(=O)CS(=O)(=O)c1c(Cl)cccc1Cl 35663534 CICRETSZBYUOJD-UHFFFAOYSA-N 297.159 2.330 0 30 CEAC CC[C@@H]1C[C@H](O)c2c(OC)cccc2[C@@H]1C(=O)OC 223749828 FIUYHPMYPVTZRO-SUZMYJTESA-N 264.321 2.415 0 30 CEAC COCc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1 13468339 BVHDCXKFAXFARU-UHFFFAOYSA-N 250.685 2.237 0 30 CEAC CC(=O)N/C(=C/c1ccccc1C(F)(F)F)C(=O)O 96819 HVLNJIRMSFAIEV-UXBLZVDNSA-N 273.210 2.267 0 30 CEAC CCCCOc1cc(N)ccc1C(=O)OCCN(C)C 1847177 CVNZUXHXTUSZSR-UHFFFAOYSA-N 280.368 2.166 0 30 CEAC O=C(O)c1cccnc1Nc1ccc2[nH]ncc2c1 13091229 QSZNJCYRWPJLMV-UHFFFAOYSA-N 254.249 2.400 0 30 CEAC CCOC(=O)c1c(C(=O)OC)noc1-c1ccccc1 45817317 TZLGBDYYOQLDAA-UHFFFAOYSA-N 275.260 2.305 0 30 CEAC COC(=O)c1cc(C(=O)c2ccccc2)ccc1O 39603312 WAVWKJPLXGLGPK-UHFFFAOYSA-N 256.257 2.410 0 30 CEAC CC(C)C[C@H](NC(=O)c1cccnc1)n1ccnc1 238790981 JJSGCUXTZJBHMJ-CYBMUJFWSA-N 258.325 2.253 0 30 CEAC CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)c(=O)o1 77941 SAQVBVFYODGLLS-UHFFFAOYSA-N 273.214 2.363 0 30 CEAC CC(C)NC(=S)N1CCCN2C(=O)c3ccccc3[C@@H]21 137115 JQFMMKUZJUSLAO-ZDUSSCGKSA-N 289.404 2.130 0 30 CEAC CCOC(=O)[C@H]1C[C@]12CCN(Cc1ccccc1)C2 104853510 FCWLRKKKNGDVQE-ZBFHGGJFSA-N 259.349 2.462 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC2(CCC2)C1 253183669 LRKYQSDZSDKPPC-JTQLQIEISA-N 269.341 2.498 0 30 CEAC CCCCCC[C@@H](C(=O)C=CN(C)C)C(=O)OC 6592014 NHWCNIGZBCXBPJ-LBPRGKRZSA-N 255.358 2.390 0 30 CEAC COC1=C(C)[C@@](C)(O)c2[nH]c3ccccc3c2C1=O 2329 XHIVRAVUXVHJKQ-OAHLLOKOSA-N 257.289 2.492 0 30 CEAC biogenic CCOC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 100670995 ALRKXPGWOXKXHL-GARJFASQSA-N 269.341 2.338 0 30 CEAC CC(C)(C)OC(=O)N1C[Si]2(CCCC2)C[C@H]1C(=O)O 218484131 RAHURYMPBZXVEG-JTQLQIEISA-N 285.416 2.472 0 30 CEAC N[C@@H](C(=O)O)c1ccc(SC(F)(F)F)cc1 19427185 YZMCWXXDCWXRPT-SSDOTTSWSA-N 251.229 2.383 0 30 CEAC in-vitro Cc1ccc(C(=O)[C@H]2C[C@@H](O)CC[C@H]2C(=O)O)cc1 32099118 WJIZVTKMGRMHEB-XQQFMLRXSA-N 262.305 2.040 0 30 CEAC O=C(N[C@H]1CCc2c(Cl)cccc21)[C@H]1C[C@H]1C(=O)O 253370612 TVFGZWKEGBWVQO-UMNHJUIQSA-N 279.723 2.164 0 30 CEAC O=C(O)c1cc(COc2ccc(F)cc2F)on1 24548198 MEAKHCHVZCABQN-UHFFFAOYSA-N 255.176 2.230 0 30 CEAC O=C(NCCc1ccccc1)c1ccc2nonc2c1 171367 MMYNXVVVNBUMJF-UHFFFAOYSA-N 267.288 2.195 0 30 CEAC Cc1oc2ccc(CN3CCOCC3)cc2c(=O)c1C 31283419 COVQREGUXDTNJO-UHFFFAOYSA-N 273.332 2.242 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@@H]1[C@H]1CCCO1 675050166 HWTMBDBUCGZZJF-QJPTWQEYSA-N 299.367 2.266 0 30 CEAC O=Cc1cn(S(=O)(=O)c2ccccc2)c2ncccc12 38602028 WGSDEVIRNPPEQV-UHFFFAOYSA-N 286.312 2.086 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](C2CCC2)[C@H]1C(=O)O 238102845 VDDHZWXHFUDNPF-QWRGUYRKSA-N 269.341 2.497 0 30 CEAC CC(C)(C)OC(=O)N1CC(N)(c2ccc(F)cc2)C1 719158068 QATKWTYVFMHKQT-UHFFFAOYSA-N 266.316 2.230 0 30 CEAC CN(C)C(=O)C(=O)c1c[nH]c2ccc(Br)cc12 4336194 VFAWCQFYVZGQBO-UHFFFAOYSA-N 295.136 2.201 0 30 CEAC Cc1cc2cccc(OC[C@H](O)CNC(C)C)c2[nH]1 20232 PHCKSUMDICXNDX-CYBMUJFWSA-N 262.353 2.214 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 76695919 JRHBZKRMXSMJBC-UTUOFQBUSA-N 255.358 2.404 0 30 CEAC CON(C)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 95883307 YTVUUDYUQSVIIV-SFYZADRCSA-N 259.227 2.227 0 30 CEAC COc1ccc(COC(=O)[C@H](O)c2ccccc2)cc1 32144274 IYVMXKCVTJDFAQ-OAHLLOKOSA-N 272.300 2.472 0 30 CEAC N[C@@H](C(=O)O)c1c[nH]c2ccc(Br)cc12 91691751 RNOCAESBOHXJJT-SECBINFHSA-N 269.098 2.015 0 30 CEAC O=C(O)[C@H]1CCO[C@H]1c1cnn(-c2ccccc2F)c1 407987072 YMMKNFMTCXHMIM-GWCFXTLKSA-N 276.267 2.174 0 30 CEAC Cc1ccc([C@@](O)(C(=O)O)C(F)(F)C(F)(F)F)cc1 43465331 DFGNEAIEJDJVKM-SECBINFHSA-N 284.180 2.465 0 30 CEAC CC(C)N1C(=O)C[C@H](N)[C@H]1c1ccc(Cl)c(F)c1 70293633 XPYVBZZIJCQOMY-WCQYABFASA-N 270.735 2.488 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H]1c1cccnc1 396149387 IRYZLPTYEPXCMO-NEPJUHHUSA-N 292.335 2.464 0 30 CEAC CN(C)C=C1C(=O)N(c2ccccc2)N=C1C(F)(F)F 92170 ZKBSLPLEAZYVLF-UHFFFAOYSA-N 283.253 2.397 0 30 CEAC O=C(O)C[C@@H]1Cc2ccc(Br)cc2C1=O 84802570 FVODCNPPJOKTQC-ZETCQYMHSA-N 269.094 2.279 0 30 CEAC Ic1cccc(NC2COC2)c1 82487945 RUHHXPNFCFZLGO-UHFFFAOYSA-N 275.089 2.102 0 30 CEAC CSc1nc(N)nc2c(-c3ccccc3)c(C)nn12 90557019 KKVANWPIWPEDAB-UHFFFAOYSA-N 271.349 2.404 0 30 CEAC COc1cc(CC(=O)O)cc(OC)c1Br 218654349 UBFDUWADFLWCST-UHFFFAOYSA-N 275.098 2.093 0 30 CEAC CN1[C@H](c2ccccc2)CC(=O)[C@]2(O)CCCC[C@@H]12 248111834 HKCYHEPGBFQGFR-LZWOXQAQSA-N 259.349 2.306 0 30 CEAC COc1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)C(=O)N2 100183873 GUAMVKPPVAZNIE-NSHDSACASA-N 292.335 2.256 0 30 CEAC C[C@@H](CC(=O)O)CC(=O)Nc1ccc(F)cc1F 100913 ORBMAYGDNMXQOF-SSDOTTSWSA-N 257.236 2.404 0 30 CEAC CN(Cc1ccccc1N)C[C@@H](O)c1ccccc1 33979553 DVGIYWMJXYCEFJ-MRXNPFEDSA-N 256.349 2.434 0 30 CEAC CN[C@@H]1CCCc2cc(OC)c(OC)c(OC)c2C1 138128074 WZKVYXAFGPDIDY-LLVKDONJSA-N 265.353 2.179 0 30 CEAC O=C(NC(=O)c1ccc(F)cc1F)c1ccccc1O 157601 JZNDKDCNEUQUFG-UHFFFAOYSA-N 277.226 2.241 0 30 CEAC CC(C)(C)OC(=O)N[C@H](CCC(F)F)C(=O)O 716266695 FONPOKVADVHMTQ-ZCFIWIBFSA-N 253.245 2.010 0 30 CEAC NC1=NC(=O)[C@@H](Cc2ccc(OC(F)(F)F)cc2)S1 15919721 DMQYTMNDVUXBGO-MRVPVSSYSA-N 290.266 2.084 0 30 CEAC CCOC(=O)c1ccc(N2C[C@H](C)N[C@@H](C)C2)cc1 82051081 HOONFTHLRKSAHN-RYUDHWBXSA-N 262.353 2.050 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]2(C(=O)O)CC1 584645550 AJJSFSRSMSKRET-RNCFNFMXSA-N 255.314 2.108 0 30 CEAC COc1c(C[C@H](C)OC)cc2c(c1OC)OCO2 6020979 KAQGVTBSLUCIGK-QMMMGPOBSA-N 254.282 2.010 0 30 CEAC Cc1nc(N)nc(N)c1-c1ccc(Br)cc1 13282283 NVIBTXFGDLIYIR-UHFFFAOYSA-N 279.141 2.379 0 30 CEAC OC1(c2ccc(F)cc2)CCC2(CC1)OCCO2 34503927 BBKOAONWYJVESW-UHFFFAOYSA-N 252.285 2.330 0 30 CEAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1NCCC[C@@H]21 307053853 WHXMZTNYRYIBBS-FIQHERPVSA-N 252.358 2.136 0 30 CEAC Ic1ccc(NC2COC2)cc1 82487943 DQVAYVJSOYHMQO-UHFFFAOYSA-N 275.089 2.102 0 30 CEAC O=c1c2c([nH]c3cc(-c4cccs4)nn13)CSC2 100219664 GXBPJSUZXUQJPI-UHFFFAOYSA-N 275.358 2.498 0 30 CEAC CC[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 100608897 TUSJVIDIUXHTAF-VIFPVBQESA-N 282.752 2.114 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](CN)[C@H]2C1 250580428 ATFHYPICLWVHFR-GRYCIOLGSA-N 254.374 2.228 0 30 CEAC O=C(O)c1cccc2c1O[C@H](c1ccccc1)C(=O)N2 142148166 ZMZYMWQUNWEEHF-GFCCVEGCSA-N 269.256 2.457 0 30 CEAC CCOC(=O)Cc1ncc(-c2ccc(NC(C)=O)cc2)[nH]1 44460311 SJSFBJSABDTCEY-UHFFFAOYSA-N 287.319 2.141 0 30 CEAC CC[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 100608892 TUSJVIDIUXHTAF-SECBINFHSA-N 282.752 2.114 0 30 CEAC in-vitro Cn1nc(NC(=O)CC(C)(C)CC(=O)O)c2ccccc21 118987 ABWLQCGRTCGJOF-UHFFFAOYSA-N 289.335 2.403 0 30 CEAC O[C@@H](CNC[C@@H]1COc2ccccc2O1)c1ccccc1 157211 ZIRCLALNWOIALZ-CABCVRRESA-N 285.343 2.150 0 30 CEAC Cc1cc(C(=O)N=[S@](C)(=O)c2cccs2)no1 13466452 BINMHMOYJZAQHB-QGZVFWFLSA-N 270.335 2.342 0 30 CEAC CCC1(CC)C(=O)NC(=O)N(C2CCCCC2)C1=O 31320253 MWUFANQZMIAZHV-UHFFFAOYSA-N 266.341 2.204 0 30 CEAC O=C(N[C@H](CC1CC1)C(=O)O)OCc1ccccc1 69554042 NCRLSXDXLQPBEU-GFCCVEGCSA-N 263.293 2.166 0 30 CEAC Nc1ncccc1CN1CCc2ccccc2CC1 79575024 JKKWMAKECDVPNJ-UHFFFAOYSA-N 253.349 2.265 0 30 CEAC in-vitro COc1ccc(I)c(C(=O)O)c1F 35324655 LQCQGKYUMOOPKX-UHFFFAOYSA-N 296.035 2.137 0 30 CEAC C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCCN)cc1 88906884 STYLBGLPKNLFPX-CYBMUJFWSA-N 296.436 2.141 0 30 CEAC NS(=O)(=O)c1cccc(NC(=O)Nc2cccs2)c1 4325274 XTPRUEGIYPURNZ-UHFFFAOYSA-N 297.361 2.040 0 30 CEAC CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)O)C1(C)C 218268053 PIKQYICYLAWBSP-IUCAKERBSA-N 257.330 2.401 0 30 CEAC CN1CCC[C@@]2(CCc3cc(C(=O)O)ccc3C2)C1=O 585164196 VXAFHNQUFHRSNZ-INIZCTEOSA-N 273.332 2.112 0 30 CEAC CN(C(=O)c1ccccc1NN)c1ccc(F)cc1 51114328 KFLNFKPEKMBUOG-UHFFFAOYSA-N 259.284 2.388 0 30 CEAC O=C(O)[C@H]1NCC[C@@H]1c1ccc(C(F)(F)F)cc1 92742236 VXPOCUKLVZXTHN-ZJUUUORDSA-N 259.227 2.236 0 30 CEAC O=C(Nc1ccc(Br)nc1)C(F)F 15042811 TZFDXFUDTXKVSQ-UHFFFAOYSA-N 251.030 2.048 0 30 CEAC O=C1CNCCN1Cc1cc(C(F)(F)F)ccc1Cl 2265364177 ORACPYWOQJOAGD-UHFFFAOYSA-N 292.688 2.291 0 30 CEAC CC(C)(C)OC(=O)N1CCC(=O)[C@@H]1c1cccnc1 141339969 VDAAIJAJSBUQNW-LBPRGKRZSA-N 262.309 2.333 0 30 CEAC CC(C)(C)OC(=O)CNC(=O)OCc1ccccc1 1613195 YXUKOFVPQCAYKW-UHFFFAOYSA-N 265.309 2.255 0 30 CEAC CCC[C@@H]1CC=CC[C@@]12C(=O)NC(=S)N=C2O 33855407 PCBBKKQNUZLXFS-MRVPVSSYSA-N 252.339 2.110 0 30 CEAC CN(C)CCO[C@@H](c1cccs1)c1ccnn1C 13914281 CIJATQMMNKXTJJ-CYBMUJFWSA-N 265.382 2.149 0 30 CEAC Oc1nc(SCc2ccccc2)c2ncnc-2[nH]1 17147976 XKLXGBRBFJZZOP-UHFFFAOYSA-N 258.306 2.302 0 30 CEAC COC(=O)c1cc(O)n(-c2ccc(C(F)(F)F)cc2)n1 15924189 FAEYGTUPZNQAOX-UHFFFAOYSA-N 286.209 2.383 0 30 CEAC CC(C)(C)OC(=O)N[C@H](C[Si](C)(C)C)C(=O)O 196859727 LMFSUXXQTKCGGW-MRVPVSSYSA-N 261.394 2.303 0 30 CEAC COc1ccc(CN2CCC[C@H](O)C(F)(F)C2)cc1 2265385530 GJVDEKFULPCYPA-ZDUSSCGKSA-N 271.307 2.287 0 30 CEAC O=C(O)CCCNC(=S)Nc1ccc(Cl)cc1 3134150 VTXYUEMNHUBDJL-UHFFFAOYSA-N 272.757 2.491 0 30 CEAC O=C(N[C@H]1CC[C@@H]2C[C@H]1C(=O)O2)OCc1ccccc1 32099031 VYSAFMRDQCECQE-UPJWGTAASA-N 275.304 2.007 0 30 CEAC CCOC(=O)[C@@H]1N=C(c2ccccc2)O[C@@H]1C(F)(F)F 96347211 OBHTUWZHQZUAEN-ZJUUUORDSA-N 287.237 2.326 0 30 CEAC CC1=NN(c2ccc(-c3csnn3)cc2)C(=O)C1 106552 DVPZKKTYXVRNFN-UHFFFAOYSA-N 258.306 2.318 0 30 CEAC CC(C)c1ccc(NC(=O)NC(=O)c2ncon2)cc1 105956 DQROQGHSAOUMNA-UHFFFAOYSA-N 274.280 2.155 0 30 CEAC Cc1ccc(-n2nc(C)c3c(C)onc3c2=O)cc1 123467 MTFTUKOUJRUUQP-UHFFFAOYSA-N 255.277 2.299 0 30 CEAC CC(C)C[C@@H](NC(=O)c1cccnc1)n1ccnc1 238790980 JJSGCUXTZJBHMJ-ZDUSSCGKSA-N 258.325 2.253 0 30 CEAC C/C=C/[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)C1CCCC1 1640751 KFIKGORTYFCONO-UQEQFRAVSA-N 293.407 2.121 0 30 CEAC CC1(C)C[C@@H](NC(=O)c2ccccc2Cl)C(=O)O1 2033481 ZDSBOBNPOABMNK-SNVBAGLBSA-N 267.712 2.164 0 30 CEAC COC(=O)CCNc1ncc(C)cc1Br 97844819 MNGGETUOHBKPJD-UHFFFAOYSA-N 273.130 2.128 0 30 CEAC COc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1 79034091 HOSWFCNOLCXXOZ-UHFFFAOYSA-N 288.328 2.282 0 30 CEAC C[C@]1(c2cccc(Br)c2)CNCCO1 212587107 YYSCFCZHBAPWHT-LLVKDONJSA-N 256.143 2.284 0 30 CEAC C[S@@](=O)CCCCCCN1C(=O)c2ccccc2C1=O 285194949 VQVVVBMGTXYAHB-HXUWFJFHSA-N 293.388 2.222 0 30 CEAC O=C1c2ccccc2N[C@H]1[C@@H]1Nc2ccccc2C1=O 100488585 JOTRJOWDDJFASP-KBPBESRZSA-N 264.284 2.340 0 30 CEAC CCC(=O)N1Cc2ccc(C(=O)O)n2Cc2ccccc21 95616811 JPPIWPVSTVRLFB-UHFFFAOYSA-N 284.315 2.491 0 30 CEAC COc1cnc2ccn(S(=O)(=O)c3ccccc3)c2c1 257353413 QZRSCBKIQPDWGJ-UHFFFAOYSA-N 288.328 2.282 0 30 CEAC CCOC(=O)C(=O)c1ccc(OC)cc1Br 42898844 OAMWQQJVCLXRAU-UHFFFAOYSA-N 287.109 2.204 0 30 CEAC in-vitro O=C1CC[C@@H](C(=O)Oc2ccc3ccccc3c2)N1 34065253 ZFLYMZADKJPSIM-ZDUSSCGKSA-N 255.273 2.024 0 30 CEAC Cc1cc(=O)oc2c(C)c(O)c(C(=O)C=CN(C)C)cc12 95904871 XXHVBQIVCGFZCT-UHFFFAOYSA-N 287.315 2.373 0 30 CEAC CC(C)(C)OC(=O)NCCNC(=O)c1cccs1 4299627 ONGJIKOHTMAPOQ-UHFFFAOYSA-N 270.354 2.003 0 30 CEAC CS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1 50227578 VZAAGGBNTMRUDW-UHFFFAOYSA-N 273.317 2.028 0 30 CEAC in-vitro COC(=O)c1cccc(NC(=O)NC(C)(C)C)c1 143500 LKLSJHREWVRQQC-UHFFFAOYSA-N 250.298 2.393 0 30 CEAC CC(C)(C)OC(=O)N1CC2(CCC2)[C@@](F)(C(=O)O)C1 309825627 QRQQDYAUTNGEIH-ZDUSSCGKSA-N 273.304 2.200 0 30 CEAC N[C@@H](CO)c1cc(Cl)cc(Br)c1 95636603 PUIYJAKPFORUNO-QMMMGPOBSA-N 250.523 2.095 0 30 CEAC CCc1cnc(OC(=O)O)c(OC(=O)O)c1CC 211761398 MIKXXSLHYJJIEX-UHFFFAOYSA-N 255.226 2.320 0 30 CEAC Cc1ccc([C@@H](O)Cc2ccc(C=O)c(C)n2)c(C)n1 575357024 REQZODKZUDMLRK-INIZCTEOSA-N 270.332 2.490 0 30 CEAC C[C@@H](CC(=O)O)CC(=O)NCc1ccc(Cl)cc1 3119522 ZPZANTHYGZCVNT-SECBINFHSA-N 269.728 2.457 0 30 CEAC O=C(O)C=CC(=O)Nc1cccc(C(F)(F)F)c1 6057974 XHTHMZFBLNIKJC-UHFFFAOYSA-N 259.183 2.285 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2(C(=O)O)CC1 584645549 AJJSFSRSMSKRET-NOZJJQNGSA-N 255.314 2.108 0 30 CEAC Cc1nnsc1C(=O)OCc1cc(F)cc(F)c1 110589 OOBRVWXCOJHKDK-UHFFFAOYSA-N 270.260 2.482 0 30 CEAC COc1ncc(NC(=O)C2CC2)cc1C(F)(F)F 78120 YCERYPWJDCHLRO-UHFFFAOYSA-N 260.215 2.458 0 30 CEAC Cc1c2cn[nH]c(=O)c2c(C)n1Cc1cccs1 113444 RSQCPAMGBYKULB-UHFFFAOYSA-N 259.334 2.451 0 30 CEAC O=C(O)CCOCCNC(=O)O[C@H]1CC/C=C/CCC1 2265352321 FVWLKASTDOHBBD-ISUDXETCSA-N 285.340 2.093 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2Oc3cccc(N)c3[C@H]2C1 642882051 ZCKGEJNBYUHORO-JOYOIKCWSA-N 276.336 2.364 0 30 CEAC C[C@H](CC(=O)O)CC(=O)Nc1ccc(F)cc1F 100909 ORBMAYGDNMXQOF-ZETCQYMHSA-N 257.236 2.404 0 30 CEAC CCN(CC)C[C@@H](O)COc1cc(C(F)(F)F)ccn1 117271 NQTKXINIXCFBIC-LLVKDONJSA-N 292.301 2.182 0 30 CEAC CCOC(=O)c1nc2n(c1Br)CCCC2 725343475 IFJUSXGYOHMHSF-UHFFFAOYSA-N 273.130 2.159 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@H]2[C@@H]1C2(F)F 725261808 IVJFSOOUUQXLOS-BIIVOSGPSA-N 277.267 2.104 0 30 CEAC O=C1CCCCC(=O)OC[C@H]2CCCC[C@@H]2CO1 98089849 KZTBGFYWYGYKCX-VXGBXAGGSA-N 254.326 2.453 0 30 CEAC Cc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O 1556914 OFQWOKQMFNXHKD-UHFFFAOYSA-N 258.298 2.372 0 30 CEAC CC(C)N[C@@H]1[C@H]2CC[C@@H](C2)[C@]1(O)c1ccc(O)c(O)c1 101756721 KEUBXSDYVDQAIJ-QMMBQJITSA-N 277.364 2.082 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2Oc3cccc(N)c3[C@@H]2C1 642882049 ZCKGEJNBYUHORO-BXKDBHETSA-N 276.336 2.364 0 30 CEAC Cc1cc(N2C(=O)CS[C@H]2c2cccnc2)no1 100654 FJGNKWIWXZWLAA-LBPRGKRZSA-N 261.306 2.157 0 30 CEAC CCOC(=O)c1c(F)ccc(Br)c1N 87619827 KGFJZHRDFRZUBP-UHFFFAOYSA-N 262.078 2.347 0 30 CEAC O=C(O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 82164696 IDRIRUMNBHQSQW-UHFFFAOYSA-N 293.706 2.279 0 30 CEAC COc1ccc2cccnc2c1N1CCCNCC1 95635514 RZOLXBDAJYKMGS-UHFFFAOYSA-N 257.337 2.043 0 30 CEAC CO[C@@H](C(=O)O)c1ccc(Br)s1 147842022 GVCIVSHEWYIZQL-ZCFIWIBFSA-N 251.101 2.283 0 30 CEAC C[C@H]1CCCCN1S(=O)(=O)c1ccc(CCCN)cc1 88906886 STYLBGLPKNLFPX-ZDUSSCGKSA-N 296.436 2.141 0 30 CEAC COC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O 136385890 WGZPDLDHADAWSC-UHFFFAOYSA-N 279.242 2.401 0 30 CEAC C[C@H](Oc1nc(N)ncc1Br)C1CCC1 719755192 MFGBMJJRLWMHTH-LURJTMIESA-N 272.146 2.389 0 30 CEAC Cc1ccc(OC[C@@H](O)CNCc2ccco2)cc1C 66433 SZLKOIDYESUBQS-AWEZNQCLSA-N 275.348 2.426 0 30 CEAC CC(C)(C)OC(=O)C1CCN(C(=O)C(F)(F)F)CC1 699684799 YDASQFNIHXOLDD-UHFFFAOYSA-N 281.274 2.129 0 30 CEAC O=C1NS(=O)(=O)c2ccccc2Sc2ccccc21 162318 DTUQCXDOQQCCLT-UHFFFAOYSA-N 291.353 2.270 0 30 CEAC O=C1C2=C(CCCC2)C(=O)N1CNc1ccccc1 152244 MWVRYWBFQRZLCD-UHFFFAOYSA-N 256.305 2.295 0 30 CEAC COc1ccc2c(c1)NC(=O)[C@@H]2CNC(=O)OC(C)(C)C 101157066 MPXWPHLYAIBRGN-LLVKDONJSA-N 292.335 2.256 0 30 CEAC CCCCc1nc(N)nc(NCCc2ccccc2)n1 3610545 MKUGDFNXCFUTKW-UHFFFAOYSA-N 271.368 2.451 0 30 CEAC CC(=O)NC1(C(=O)O)CCC(c2ccccc2)CC1 111060779 ZHYMQYINMDLGGD-UHFFFAOYSA-N 261.321 2.304 0 30 CEAC in-vitro O=c1cc(-c2cccnc2)[nH]c2cc(-c3ccco3)nn12 100214032 VKNILCHYSDNGJD-UHFFFAOYSA-N 278.271 2.345 0 30 CEAC CC(=O)C(Sc1nccc(-c2cccnc2)n1)C(C)=O 100211925 RQZJSWSNGWSYHY-UHFFFAOYSA-N 287.344 2.177 0 30 CEAC C=CCN1C(=O)C(=CC(=O)OCC)c2ccccc21 12858905 LDTCDJNRJYHPGL-UHFFFAOYSA-N 257.289 2.166 0 30 CEAC CC(C)C(=O)N1C[C@@H](COc2ccccc2)OC1=O 32218768 BGBCOFMXRUKOEY-LBPRGKRZSA-N 263.293 2.069 0 30 CEAC COC(=O)c1c(OC)ccc(-n2cccc2)c1OC 93140 XYSGVRLZYQMDPD-UHFFFAOYSA-N 261.277 2.281 0 30 CEAC COc1ccc(CC2OCCO2)c(Br)c1O 199849324 RIDZFKJZMJNUQC-UHFFFAOYSA-N 289.125 2.079 0 30 CEAC CC(C)(C)OC(=O)N1[C@@H](CCCO)COC1(C)C 80900043 JEPJZGUFARGBJH-JTQLQIEISA-N 259.346 2.131 0 30 CEAC CC(C)c1c(I)cnn1C 75839239 JHFCDXGAAIIDED-UHFFFAOYSA-N 250.083 2.148 0 30 CEAC C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1cccnc1 201989542 XZJREDVSWKBRGN-SECBINFHSA-N 250.298 2.178 0 30 CEAC CC(=O)c1ccccc1S(=O)(=O)C(F)(F)F 205918280 UPHYSJPTBDFSDD-UHFFFAOYSA-N 252.213 2.183 0 30 CEAC O=C1CCC(=O)N1c1ccc(OC(F)(F)F)cc1 103631 YOCYAAXOJXNKSC-UHFFFAOYSA-N 259.183 2.239 0 30 CEAC COC(=O)c1ccc(CP(=O)(OC)OC)cc1 34487072 IGTOJTIOIGZJBM-UHFFFAOYSA-N 258.210 2.459 0 30 CEAC Cc1nc(I)cnc1Br 95642650 PQUZWLQAESECMR-UHFFFAOYSA-N 298.909 2.152 0 30 CEAC COC[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)O 84639632 HOAMUXJQCGJKPN-SECBINFHSA-N 265.092 2.472 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CCC[C@@H](N)[C@H]2C1 306208262 LHUZFIWBDRHNNT-SDDRHHMPSA-N 254.374 2.371 0 30 CEAC O=C(NC(=O)N1CCSCC1)c1ccccc1Cl 167041 JGNNQCLQJQMHQP-UHFFFAOYSA-N 284.768 2.239 0 30 CEAC Cc1cc(C)c(C)c(C(=O)n2cnc3c(N)ncnc32)c1C 3604849 XJHVHCIMHGZYCX-UHFFFAOYSA-N 295.346 2.331 0 30 CEAC O=C(O)c1cc(Cl)nc(OCC(F)(F)F)c1 4335871 FVHKOLLQKHIDJS-UHFFFAOYSA-N 255.579 2.374 0 30 CEAC CCN(CCC(=O)OC)c1cccc(NC(C)=O)c1 38643818 AOEBDRLRNJNHSY-UHFFFAOYSA-N 264.325 2.034 0 30 CEAC COC(=O)c1ccc2c(c1)-c1cccc(C(=O)OC)c1C2=O 223724012 XRKRJYZEPYDKND-UHFFFAOYSA-N 296.278 2.471 0 30 CEAC CSc1n[nH]c(=O)n1-c1cccc(C(F)(F)F)c1 115543 ZOOYLTZFIIAQAO-UHFFFAOYSA-N 275.255 2.301 0 30 CEAC Cc1ccc(NC(=O)Cc2ncon2)cc1Cl 90583 MJIVWXVAWRDXLG-UHFFFAOYSA-N 251.673 2.213 0 30 CEAC COC(=O)C1(Cc2ccc(F)cc2)CCOCC1 238852532 GLHKQIVEDVAARN-UHFFFAOYSA-N 252.285 2.338 0 30 CEAC CCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 112987458 GBTVWZMJUZJPBU-CQSZACIVSA-N 293.363 2.173 0 30 CEAC Cc1ccc([S@@](=O)N2C(=O)c3ccccc3C2=O)cc1 223500843 DXHBLEPFROUZBA-HXUWFJFHSA-N 285.324 2.314 0 30 CEAC COc1c(C[C@@H](C)OC)cc2c(c1OC)OCO2 6036798 KAQGVTBSLUCIGK-MRVPVSSYSA-N 254.282 2.010 0 30 CEAC CC(C)(C)OC(=O)[C@H](Br)CBr 140177832 PFUYTJUZEPQIIF-RXMQYKEDSA-N 287.979 2.487 0 30 CEAC CC(C)(C)OC(=O)N1CC([C@@H]2CCCCNC2)C1 714789838 IQKFBGNHYLJHJI-LLVKDONJSA-N 254.374 2.243 0 30 CEAC CN(C(=O)Nc1ccccc1)n1cnc2ccccc2c1=O 141097 QMOZJLZDTCSHDT-UHFFFAOYSA-N 294.314 2.196 0 30 CEAC O=c1nc(-c2ccc(O)cc2)[nH]c2c(O)cccc12 13782477 KZLPIRPQDKFMRG-UHFFFAOYSA-N 254.245 2.001 0 30 CEAC COc1cc2c(cc1Br)OCC[C@@H]2N 218281737 BLZRRFCKKDNLBE-QMMMGPOBSA-N 258.115 2.240 0 30 CEAC O=C(O)[C@@H]1[C@H]2C[C@@]1(c1ccc(C(F)(F)F)cc1)CO2 2265384596 XULQDDUFPUQNLZ-SCVCMEIPSA-N 272.222 2.447 0 30 CEAC CCOC(=O)C1CCN(c2ccc(C(C)=O)cc2N)CC1 150193 QUJLINJPEZEKRH-UHFFFAOYSA-N 290.363 2.251 0 30 CEAC CCOC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1 157725 MVTOBFZBBNDSAL-UHFFFAOYSA-N 290.363 2.346 0 30 CEAC O=C(O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 35676748 KBVLCNIYILVXKG-UHFFFAOYSA-N 286.324 2.387 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccn2)C1 73734704 UZMUBCWRNOHDJI-LLVKDONJSA-N 278.356 2.288 0 30 CEAC O=c1c2c([nH]c3cc(-c4ccco4)nn13)CSC2 100219660 GZLYXMXZXUBGPD-UHFFFAOYSA-N 259.290 2.029 0 30 CEAC C=CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 221295640 RBRHRDBZSUVEAL-UHFFFAOYSA-N 255.314 2.274 0 30 CEAC COc1cc(Br)c(C(=O)O)c(OC)c1 84192374 JSRIGQZZKGUUTK-UHFFFAOYSA-N 261.071 2.165 0 30 CEAC CC(C)C(=O)Nc1c2sscc-2n(C)c1=O 3596091 VLMKNUITTLTJAL-UHFFFAOYSA-N 256.352 2.208 0 30 CEAC biogenic CC(C)(C)OC(=O)N1CCN(Cc2ccccn2)CC1 30678190 YKGYLSBMOUSMDS-UHFFFAOYSA-N 277.368 2.134 0 30 CEAC CN(C)C1=NC(=O)C(=Cc2ccc(F)cc2)S1 4106382 ZPBCPQHNKFDJON-UHFFFAOYSA-N 250.298 2.358 0 30 CEAC CCOC(=O)NC(=S)NCCc1c[nH]c2ccccc12 4366783 DFEIHVJJGNYTHR-UHFFFAOYSA-N 291.376 2.331 0 30 CEAC Clc1nc(Cl)c2c(n1)CCC1(C2)OCCO1 307653852 UXGGQQCZBGSEAX-UHFFFAOYSA-N 261.108 2.015 0 30 CEAC Cc1nc2sc(C(=O)O)cn2c1Br 212624464 TUZOIKQWBBDVDT-UHFFFAOYSA-N 261.100 2.165 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 250589979 JRHBZKRMXSMJBC-GRYCIOLGSA-N 255.358 2.404 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H]2C[C@]2(C(=O)O)C1 2265378617 IXSXGCYECFJHSJ-ZANVPECISA-N 255.314 2.108 0 30 CEAC O=C(Nc1ccc(F)cc1)O[C@H]1CN2CCC1CC2 129849 RUQCFKNORLVKCA-ZDUSSCGKSA-N 264.300 2.468 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1CC(=O)O 958718347 KLQJUJQXQSUKAX-DCAQKATOSA-N 269.341 2.497 0 30 CEAC O[C@H](CNC1Cc2ccccc2C1)c1ccccc1 118342 QRBNXCVFVJSBMW-QGZVFWFLSA-N 253.345 2.477 0 30 CEAC COC(=O)c1ccc(-c2cn3cccnc3n2)cc1 156246 PSYKBIDUNVNYPX-UHFFFAOYSA-N 253.261 2.183 0 30 CEAC CC(C)(C)OC(=O)NC[C@H]1CNCC[C@@H]1C(F)(F)F 521399020 QYQCZITWJGCWFA-BDAKNGLRSA-N 282.306 2.299 0 30 CEAC NC[C@@H](CC(=O)O)c1ccc(Br)s1 13823768 AGSZIPFOQSAPON-RXMQYKEDSA-N 264.144 2.028 0 30 CEAC in-vivo CCNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1 144463588 NRNGQXBLASGPLB-UHFFFAOYSA-N 267.306 2.224 0 30 CEAC COC(=O)c1sccc1NC(=O)[C@@H]1CCCS1 1047853 YRZGCVAYDGQBMI-QMMMGPOBSA-N 271.363 2.369 0 30 CEAC O=C(O)Cc1cc(Br)nc(Br)c1 95761923 APNLBEGJMNCTSO-UHFFFAOYSA-N 294.930 2.234 0 30 CEAC Cc1nc2nnnn2c(C)c1CC=Cc1ccccc1 2265279120 HXBMVLPPSNOCHT-UHFFFAOYSA-N 265.320 2.392 0 30 CEAC C[C@H](N)c1c(F)cccc1I 83592896 VYAUATMUPPWROE-YFKPBYRVSA-N 265.069 2.450 0 30 CEAC Brc1nnc(Br)n1C1CC1 950757337 VGTITZVRSKIQGQ-UHFFFAOYSA-N 266.924 2.138 0 30 CEAC CC(=O)N/C(=C/c1ccc(Br)cc1)C(=O)O 128306 PTEZWGHXLACFOP-UXBLZVDNSA-N 284.109 2.011 0 30 CEAC CC1(C)CN(C(=O)OCc2ccccc2)C[C@H]1C(=O)O 642880640 DZLFMERQFJNLBO-LBPRGKRZSA-N 277.320 2.366 0 30 CEAC O=C(N[C@@H]1CC[C@@H]2C[C@H]1C(=O)O2)OCc1ccccc1 32099033 VYSAFMRDQCECQE-JHJVBQTASA-N 275.304 2.007 0 30 CEAC O=S1(=O)CCCc2cc(Br)ccc21 216325904 LBRZWEGVJJRAAO-UHFFFAOYSA-N 261.140 2.169 0 30 CEAC O=C1CCc2cc(C3=CSC4=NCCN34)ccc2N1 132429 UTBDGAWNKYICSF-UHFFFAOYSA-N 271.345 2.288 0 30 CEAC Cn1cnc2cc(I)ccc21 35905124 FICFHKVMTDTBBL-UHFFFAOYSA-N 258.062 2.178 0 30 CEAC CCCN(C)S(=O)(=O)c1cccc2c(N)cccc12 173251 ABYOPRASWNKROU-UHFFFAOYSA-N 278.377 2.453 0 30 CEAC Cc1nccn1-c1ccc(N)c(-n2ccnc2C)c1 21987626 GJEJSBBHYCFZBN-UHFFFAOYSA-N 253.309 2.257 0 30 CEAC CN1CCc2c3n(c4c(O)cccc24)C(=O)CC[C@@H]31 32249926 ICFMTTBSNDFISA-NSHDSACASA-N 256.305 2.310 0 30 CEAC CCCc1ccccc1OC[C@H](O)CNC(C)C 2001210 JVHCMYZFGCOCTD-CQSZACIVSA-N 251.370 2.377 0 30 CEAC in-vitro COc1ccc(OC)c(C=C2[C@@H](O)C3CCN2CC3)c1 2265271909 DKVIIGLIDAFWEJ-INIZCTEOSA-N 275.348 2.131 0 30 CEAC O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(F)c(F)c1 247712537 KUEKSEKKGSRTFY-GYBADROVSA-N 275.254 2.276 0 30 CEAC O=C1C[C@H](c2ccc(O)c(OC3CCCC3)c2)CN1 39022468 KJXDMOACSRAMFI-NSHDSACASA-N 261.321 2.317 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H]1C(F)(F)CO 257900296 HOOIUVWSRGTKKN-MRVPVSSYSA-N 251.273 2.014 0 30 CEAC Cc1nc(I)cnc1Cl 721332758 PGAIJMNIJQGPSV-UHFFFAOYSA-N 254.458 2.043 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](CN)[C@H]2C1 250580431 ATFHYPICLWVHFR-SDDRHHMPSA-N 254.374 2.228 0 30 CEAC Cc1c([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)O)cnn1C 309571798 MRKZBJIKZDXXHD-JKSUJKDBSA-N 299.374 2.029 0 30 CEAC CC(C)(CC(=O)O)CC(=O)NC1Cc2ccccc2C1 146591 QSOQYTYRBBHTLU-UHFFFAOYSA-N 275.348 2.161 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](CSC(F)(F)F)C(=O)O 253178983 ADZJWUUZSHOVLW-YFKPBYRVSA-N 289.275 2.217 0 30 CEAC COc1cccc(OC)c1C(=O)NCCc1ccccn1 3161654 JQBOKDXTFLIJCZ-UHFFFAOYSA-N 286.331 2.071 0 30 CEAC CCOc1c(Nc2cccc(Cl)c2)c(=O)c1=O 4366315 YXYPHEWTYFWPMF-UHFFFAOYSA-N 251.669 2.078 0 30 CEAC CC(C)(C)OC(=O)N1CC(N)(c2cccc(F)c2)C1 719157155 IHGDNEUOAPNAMH-UHFFFAOYSA-N 266.316 2.230 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@]23CCCC[C@]2(CNC3)C1 725343671 QNQLHHBLCMGKQG-GJZGRUSLSA-N 266.385 2.387 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@H]21 675069955 JUEQEIOVZRBEEZ-AXTSPUMRSA-N 255.314 2.010 0 30 CEAC Cc1onc(-c2ccccc2)c1CN1CCOCC1 19924865 WTEMNUNQVUYQKE-UHFFFAOYSA-N 258.321 2.482 0 30 CEAC CC(C)(C)OC(=O)NC1(c2ncc(C(=O)O)cn2)CCC1 675073475 JSGTXGSTVSKMLI-UHFFFAOYSA-N 293.323 2.079 0 30 CEAC Clc1ccc([C@H](c2ccccn2)c2nnn[nH]2)cc1 95251451 RUSVCKZSQRKHKW-GFCCVEGCSA-N 271.711 2.428 0 30 CEAC CN(C)C=CC(=O)c1ccc(N2CC(C)(C)C2=O)cc1 33337148 WPVJMQGWNSBWJG-UHFFFAOYSA-N 272.348 2.317 0 30 CEAC CNc1ccccc1C(=O)NCCc1ccncc1 151057 AYZBJDVZEAMHBR-UHFFFAOYSA-N 255.321 2.096 0 30 CEAC C=Cc1ccc2c(c1)OCCOCCOCCOCCO2 4262228 IOVOWJGXMPDYRY-UHFFFAOYSA-N 294.347 2.151 0 30 CEAC CC(C)(C)OC(=O)N[C@H](CO)c1cccc([N+](=O)[O-])c1 196671293 WDMXBGHVKOMHAT-LLVKDONJSA-N 282.296 2.153 0 30 CEAC COc1cc(Br)cc(OC)c1CC(=O)O 308784889 ZFCUZSFJHXYARD-UHFFFAOYSA-N 275.098 2.093 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](CN)C(F)(F)CC1 218187807 YVNGIYOAFLAQQP-SECBINFHSA-N 264.316 2.228 0 30 CEAC Cc1ccc(S(=O)(=O)NSC(F)(F)F)cc1 145134033 YXIPRJJSFJPHMI-UHFFFAOYSA-N 271.285 2.441 0 30 CEAC Cc1nc(N)[nH]c(=O)c1Cc1c(F)cccc1Cl 18158324 YBNUZPLTVBLUDF-UHFFFAOYSA-N 267.691 2.044 0 30 CEAC CC(C)(C)OC(=O)N1CCC(CN2CCC[C@@H](O)C2)CC1 95929889 MVSIANBLKSWEGR-CQSZACIVSA-N 298.427 2.090 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@]1(C)C(=O)O 399842343 LRZXNAUNCVHTGD-RDDDGLTNSA-N 270.289 2.149 0 30 CEAC N[C@@H](C(=O)N1Cc2ccccc2C1)C1CCCCC1 209387690 SUSVSQMWKFICCC-OAHLLOKOSA-N 258.365 2.436 0 30 CEAC CC(C)(O)C(C)(C)OB(O)c1cc2c(Cl)cccc2[nH]1 200313689 TXIMWKMBVMFIQA-UHFFFAOYSA-N 295.575 2.075 0 30 CEAC CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCN 100555781 LNDHSAUHPLODOY-ZDUSSCGKSA-N 259.353 2.068 0 30 CEAC in-vitro O=C(O)CSCC(=O)Nc1ccc(F)c(Cl)c1 100793 MWAQQQBWXJNSMX-UHFFFAOYSA-N 277.704 2.235 0 30 CEAC CCOC(=O)C(C)(C)NCc1ccc(OC)cc1 258832135 QECITLLUVKOAJE-UHFFFAOYSA-N 251.326 2.127 0 30 CEAC NC(=O)c1cc2c(Br)cncc2s1 114495396 NLLJHBLRXMGSRP-UHFFFAOYSA-N 257.112 2.158 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)O)C[C@H]1C(F)(F)F 2265385573 MJEDNZLNMGIKBX-RRKCRQDMSA-N 283.246 2.163 0 30 CEAC C[S@@](=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1 536555954 OPSYMVISFQDGFR-HXUWFJFHSA-N 285.324 2.226 0 30 CEAC Cc1nc(Cl)cc(NCCNC(=O)OC(C)(C)C)n1 134270921 OKACEUJPGLQVDE-UHFFFAOYSA-N 286.763 2.375 0 30 CEAC CN1C(=O)CCOc2cc(Br)ccc21 62537545 KDJWZJHXVYLETO-UHFFFAOYSA-N 256.099 2.194 0 30 CEAC O=C1CCCCN1c1cccnc1Br 521399047 IRGWFFGDWFMFLT-UHFFFAOYSA-N 255.115 2.361 0 30 CEAC Cc1oc(C(=O)O)cc1CN1C(=O)c2ccccc2C1=O 51361261 WNDJBISSYRAIIO-UHFFFAOYSA-N 285.255 2.082 0 30 CEAC CC1(C)CC(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC(C)(C)N1 5523113 OXAUHFISPWLGBV-STQMWFEESA-N 292.423 2.471 0 30 CEAC O=C(O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 8026939 XGLXGTOWSYVRGI-UHFFFAOYSA-N 297.738 2.042 0 30 CEAC CSc1cccc(NC(=O)C(=O)NCc2ccco2)c1 4344530 KJARPXZQDOEGGX-UHFFFAOYSA-N 290.344 2.256 0 30 CEAC Cc1cc(Br)ccc1-n1nnc(C)c1C(=O)O 217255451 QNWHRQXEYTYRAS-UHFFFAOYSA-N 296.124 2.345 0 30 CEAC O=C(O)c1ccc2c(c1)OCC(F)(F)C(F)(F)CO2 2265385731 KUSAKJOPSFXKGC-UHFFFAOYSA-N 280.173 2.427 0 30 CEAC O=C(OCc1ccccc1)N1CC[C@@]2(CCCN2)C1 91297370 VTCIBYYNHXLWPJ-HNNXBMFYSA-N 260.337 2.151 0 30 CEAC Cc1cc(Br)c2[nH]cc(C(=O)O)c(=O)c2c1 6621951 ZHENBUJQWLGQJK-UHFFFAOYSA-N 282.093 2.297 0 30 CEAC Cc1c(C(=O)O)cc(CNC(=O)OC(C)(C)C)n1C 685939190 YYKWBSZNHRIVDO-UHFFFAOYSA-N 268.313 2.056 0 30 CEAC CCCCCCC[C@@H]1N(CCO)C=CN1CCC(=O)O 111414789 PKYRVPMDYKEHGS-AWEZNQCLSA-N 284.400 2.229 0 30 CEAC COC(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1 400160196 VPMVMWQFWXVNDM-WSKFYRRCSA-N 269.341 2.363 0 30 CEAC O=C(O)C[C@H]1Cc2ccc(Br)cc2C1=O 84802571 FVODCNPPJOKTQC-SSDOTTSWSA-N 269.094 2.279 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H](OCc1ccccc1)C(=O)O 95931681 WUSDEXXUMXDKBQ-GFCCVEGCSA-N 295.335 2.181 0 30 CEAC CC1(C)C=C(B(O)OC(C)(C)C(C)(C)O)CC(C)(C)O1 200311732 PYCBKHWBLSAULS-UHFFFAOYSA-N 284.205 2.476 0 30 CEAC C[C@@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1=O 102775 JOFZIIOLUSMLTI-SSDOTTSWSA-N 273.210 2.485 0 30 CEAC CCOC(=O)c1c(N)nc(SC)n1Cc1ccco1 105777 GJCHYGGYJQVRHV-UHFFFAOYSA-N 281.337 2.005 0 30 CEAC S=C(NCCc1ccccn1)N[C@H]1C[C@H]2CC[C@H]1C2 102933970 OUSKFHAFKTWQAS-OBJOEFQTSA-N 275.421 2.277 0 30 CEAC O=C(O)CCNC(=S)Nc1ccc(Cl)cc1 89615 RIIKGQQQCKYJBI-UHFFFAOYSA-N 258.730 2.101 0 30 CEAC O=C(O)c1cc2cccc(Cl)c2nc1C(=O)O 32099212 MIWJLARCDPWTSN-UHFFFAOYSA-N 251.625 2.285 0 30 CEAC CC(C)(C)OC(=O)N1CCCC[C@H]2CNCC[C@H]21 71257587 OFOZKWYGKIHBAG-NWDGAFQWSA-N 254.374 2.386 0 30 CEAC O=S(=O)(CF)c1ccccc1Br 220895208 YHSLKTADTPFPRW-UHFFFAOYSA-N 253.092 2.150 0 30 CEAC Cc1ccc2cnn(C)c2c1I 140091172 SGESBFNXFGVNIB-UHFFFAOYSA-N 272.089 2.486 0 30 CEAC CCN(CC)c1ccc(NC(=S)NCCO)c(C)c1 4361698 ZQIFPWKMDWKFQE-UHFFFAOYSA-N 281.425 2.120 0 30 CEAC CC(=O)N1CCOc2cc(Br)ccc21 71250865 ONWGUNGDCHEJIC-UHFFFAOYSA-N 256.099 2.194 0 30 CEAC CCNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 3159349 DJPLHEAOIPCDQL-JTQLQIEISA-N 258.362 2.062 0 30 CEAC O=C(O)c1ccccc1C(=O)NC1Cc2ccccc2C1 146600 DORQNKVGNQGYTC-UHFFFAOYSA-N 281.311 2.282 0 30 CEAC CCN(CC)C(=O)Nc1ccc(O)c(C(C)=O)c1 5845769 MDJCAAFMRNPNOF-UHFFFAOYSA-N 250.298 2.469 0 30 CEAC COc1ccc(Br)c(CCC(=O)O)c1 38419109 PRQBOENPLKPYNI-UHFFFAOYSA-N 259.099 2.475 0 30 CEAC CC1(C)CC(CNC(=O)OC(C)(C)C)(C(=O)O)C1 409427568 WDFVPBQEHWJFSC-UHFFFAOYSA-N 257.330 2.402 0 30 CEAC CC(C)(C)OC(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 114891245 FPXFIWIGKRXKPX-UGWIOMGGSA-N 267.369 2.451 0 30 CEAC COC(=O)c1nc(-c2ccccc2)nc(C)c1C(=O)OC 32209607 DKWVXOFBBFSUIX-UHFFFAOYSA-N 286.287 2.025 0 30 CEAC COC(=O)Cc1noc2cc(Br)ccc12 2265364144 IOOAPKVTLWHAEK-UHFFFAOYSA-N 270.082 2.306 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H]1NCCc2ccccc21 83693726 QVYKNCRSCRVYBA-ZDUSSCGKSA-N 262.353 2.398 0 30 CEAC O=C(O)c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 95642136 WIJHAYHJYAKLHF-UHFFFAOYSA-N 257.171 2.189 0 30 CEAC C[C@]1(c2ccc(Br)cc2)N=C(S)NC1=O 133240031 YMEUFNWOQILYCI-SNVBAGLBSA-N 285.166 2.080 0 30 CEAC O=C(OCc1ccccc1)N1CCC[C@H]2CNCC[C@H]21 605706896 CAYPZYOXNWSJPJ-LSDHHAIUSA-N 274.364 2.397 0 30 CEAC NS(=O)(=O)c1csc(C(F)(F)C(F)(F)F)c1 2265385506 CHSRVUVFHPTAAJ-UHFFFAOYSA-N 281.227 2.050 0 30 CEAC C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(O)C(F)(F)F 307657317 AAJLGQYJPDKDQX-OIBJUYFYSA-N 269.263 2.167 0 30 CEAC COC(=O)[C@H](C)n1c(C(=O)O)cc2cc(F)ccc21 536555965 ZQBWEFUVEQIBHU-ZETCQYMHSA-N 265.240 2.213 0 30 CEAC COc1cc2c(cnn2C(C)=O)cc1Br 238406058 DYDLPDWLXMLOBM-UHFFFAOYSA-N 269.098 2.468 0 30 CEAC CNCC[C@@]1(c2ccc(OC)c(OC)c2)C=C[C@@H](O)CC1 85953275 RPZQWNSMMCKOSH-RHSMWYFYSA-N 291.391 2.262 0 30 CEAC CC(=O)CC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 34078581 FGLZSMQQMLZMEX-HNNXBMFYSA-N 275.348 2.173 0 30 CEAC N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 216638920 YKSJIIVDGSXRGG-MRVPVSSYSA-N 284.075 2.460 0 30 CEAC in-vitro Cc1ccc(CNS(=O)(=O)C=Cc2ccncc2)cc1 2265279222 POKMXQDUUCZEME-UHFFFAOYSA-N 288.372 2.480 0 30 CEAC COc1ccc(C(=O)Nc2ccc(C)cn2)c(O)c1 19836545 TWDAHELDRIBBHL-UHFFFAOYSA-N 258.277 2.357 0 30 CEAC CC(=O)c1ccc(OCCN2CCCCC2)cc1O 2016307 CQANSEIFJJQNDE-UHFFFAOYSA-N 263.337 2.460 0 30 CEAC O=C(O)c1nc2cc(F)c(Br)cc2[nH]1 307020179 WGMWBWALFBEJOS-UHFFFAOYSA-N 259.034 2.163 0 30 CEAC CCNc1nc(NC2CCCC2)nc(SC)n1 38636524 QWEXZURQZXDZBL-UHFFFAOYSA-N 253.375 2.380 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@H]1C1CC1 334163932 ZVUAUTKZKOZPQQ-UWVGGRQHSA-N 255.314 2.249 0 30 CEAC CCOC(=O)[C@H]1CCC[C@H](c2ccc(OC)cc2)N1 39927875 JKHJXWIIPRBDIN-ZIAGYGMSSA-N 263.337 2.442 0 30 CEAC CC(C)(C)OC(=O)N1[C@@H]2C=C[C@H]3OC(C)(C)O[C@H]3[C@@H]21 136380117 DDWRYHOYMJPCBN-IECMDCGYSA-N 267.325 2.064 0 30 CEAC Cc1cc(Nc2ccc(N)cc2S(=O)(=O)O)ccc1N 149660152 CHJCIVOGSOEGPU-UHFFFAOYSA-N 293.348 2.150 0 30 CEAC CC(C)(C)OC(=O)N1CC(C)(C)OC2(CCNCC2)C1 118139063 SPWRCCBRUNANQA-UHFFFAOYSA-N 284.400 2.155 0 30 CEAC CC(C)(C)OC(=O)NCCCNCC(F)(F)F 135250219 NMIIAKUJJLLUNB-UHFFFAOYSA-N 256.268 2.053 0 30 CEAC Nc1c(O)cc(S(=O)(=O)O)c2cc(Cl)ccc12 146125525 BGHOUJABHRQYDK-UHFFFAOYSA-N 273.697 2.028 0 30 CEAC COc1ccc(-n2nc(C(F)(F)F)cc2CO)cc1 90727677 VVWJNVLGCMIBJP-UHFFFAOYSA-N 272.226 2.392 0 30 CEAC CCOC(=O)c1cn2c(Br)cnc2s1 261087197 UHWLBECWGAVETR-UHFFFAOYSA-N 275.127 2.335 0 30 CEAC CC(C)(C)OC(=O)Nc1cccn2ncc(C(=O)O)c12 208353630 OKEVPEUPYYEGRY-UHFFFAOYSA-N 277.280 2.380 0 30 CEAC O=C(NC1CCCCC1)C1=Cc2ccccc2S1(=O)=O 33995689 VOZSTWKINVCUQY-UHFFFAOYSA-N 291.372 2.264 0 30 CEAC CC(C)(C)OC(=O)N1CCC(c2cc(O)[nH]n2)CC1 4004668 GDIWLPPICBFKJS-UHFFFAOYSA-N 267.329 2.230 0 30 CEAC Ic1cnn(CC2CCC2)c1 83841840 AULGAVPPSCQNPM-UHFFFAOYSA-N 262.094 2.288 0 30 CEAC CN=c1c(N)c[nH]c2c(Br)cccc12 584882883 YOADTAJFSVSHGS-UHFFFAOYSA-N 252.115 2.043 0 30 CEAC Cc1nnsc1C(=O)Nc1nn(C)c2cccc(F)c12 114718 DVVRYZGMMMGIEM-UHFFFAOYSA-N 291.311 2.125 0 30 CEAC COc1ccccc1NC(=S)N[C@H]1CC[C@H](O)CC1 753676019 ZXFSXBFJXORQBD-XYPYZODXSA-N 280.393 2.285 0 30 CEAC CC1(C)COC(=O)[C@@H]2CC=CC[C@@]2(C)C(=O)OC1 141953724 KTUZUPSQYOXSOR-IINYFYTJSA-N 252.310 2.085 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@]23CCCC[C@@]2(CNC3)C1 725343670 QNQLHHBLCMGKQG-GASCZTMLSA-N 266.385 2.387 0 30 CEAC O=C(O)C[C@@H](NC(=O)OCc1ccccc1)C(F)(F)F 140269303 OMSAXGBLDRPUIP-SECBINFHSA-N 291.225 2.318 0 30 CEAC CC(C)(C)OC(=O)C1CN(C(=O)c2ccccc2)C1 95221023 CITTWOAVEGMFLQ-UHFFFAOYSA-N 261.321 2.100 0 30 CEAC in-vitro C[C@@H](n1cnnc1-c1cccc(N)n1)C(F)(F)F 2265364228 MEMLHFCPKPHKDG-ZCFIWIBFSA-N 257.219 2.046 0 30 CEAC COc1ccc(OS(=O)(=O)c2c(C)noc2C)cc1 3171123 IVUMLMBXWUDEIL-UHFFFAOYSA-N 283.305 2.068 0 30 CEAC Cc1noc(C)c1S(=O)(=O)Oc1ccccc1 3171125 LUCVLQMGHVGRPM-UHFFFAOYSA-N 253.279 2.059 0 30 CEAC Ic1ccccc1NC1COC1 82487947 ZFNRSZFMPXGSJN-UHFFFAOYSA-N 275.089 2.102 0 30 CEAC COc1cc(Br)cc2c1C(=O)CCO2 238454649 OQQORQXJSYWPMB-UHFFFAOYSA-N 257.083 2.423 0 30 CEAC O=C1CSCC(=O)N1c1ccc(OC(F)(F)F)cc1 102781 UVIJXWWAVNXUAM-UHFFFAOYSA-N 291.250 2.192 0 30 CEAC COCCCn1c(S)nnc1-c1csc(C)n1 4394469 VTJNIJCJCNUDAU-UHFFFAOYSA-N 270.383 2.035 0 30 CEAC N[C@H](c1ccnc(Br)c1)C(F)(F)F 95641836 LTGODAPQHQZRSP-ZCFIWIBFSA-N 255.037 2.406 0 30 CEAC CC(=O)Oc1c(C)c(C)c2c(c1C)C[C@@H](CC(=O)O)O2 5764976 QLWBKUUORSULMI-NSHDSACASA-N 278.304 2.315 0 30 CEAC investigational CC(C)(C)OC(=O)N1CCC2(CCC[C@@H](CO)O2)CC1 396163161 RCYIFUGPZPUECF-LBPRGKRZSA-N 285.384 2.318 0 30 CEAC CC(C)(C)OC(=O)NC[C@H]1C(=O)Nc2ccc(F)cc21 98181553 NBNWLFYTZFDMRS-SNVBAGLBSA-N 280.299 2.386 0 30 CEAC O=C(O)[C@H]1NCC[C@H]1c1ccc(C(F)(F)F)cc1 92742235 VXPOCUKLVZXTHN-UWVGGRQHSA-N 259.227 2.236 0 30 CEAC Cc1ccc2c(c1)C[C@H](N1CCN(C)CC1)[C@H](C)C2 32266311 HXQWYDLQOIUDTJ-PBHICJAKSA-N 258.409 2.346 0 30 CEAC CC1(C)S[C@@H](c2ccc(F)cc2)N[C@H]1C(=O)O 4343039 DHVYVJWDRANRAT-UWVGGRQHSA-N 255.314 2.393 0 30 CEAC CC(=O)OC[C@@H]1[C@H](COC(C)=O)C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 263589287 HUYMSHFTYVVGSK-YZXKGSGOSA-N 280.364 2.411 0 30 CEAC O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1c1ccccc1 3630906 WMRDYTQKCWQUCE-ZDUSSCGKSA-N 280.283 2.053 0 30 CEAC Cc1cccc([C@@H](NCc2ccccc2)C(N)=O)c1 37941208 IPBCAHHPJSZJBX-OAHLLOKOSA-N 254.333 2.311 0 30 CEAC Nc1ncc(Cl)c(I)c1F 146927207 OTCFXYOWHRKWAX-UHFFFAOYSA-N 272.448 2.061 0 30 CEAC N[C@H](Cc1cccs1)C(=O)OCc1ccccc1 253181026 FXQORABHOVFSIG-CYBMUJFWSA-N 261.346 2.361 0 30 CEAC CCOC(=O)[C@@H]1C[C@@]12CCN(Cc1ccccc1)C2 104853498 FCWLRKKKNGDVQE-GOEBONIOSA-N 259.349 2.462 0 30 CEAC CC(=O)N1CCc2ccc(I)cc21 38213538 QYOUFIOXEFUHAU-UHFFFAOYSA-N 287.100 2.200 0 30 CEAC in-vitro Nc1ccc(F)c(F)c1I 139272692 DFXALKKPUCPETA-UHFFFAOYSA-N 255.005 2.152 0 30 CEAC COC(=O)c1ccc2c(c1)CC[C@@]1(CCCN(C)C1=O)C2 585164106 GFRCEQOUHQMDPF-KRWDZBQOSA-N 287.359 2.201 0 30 CEAC O=C(O)c1nnc(-c2cccc(C(F)(F)F)c2)o1 95642141 STDNQDCNXHXDCU-UHFFFAOYSA-N 258.155 2.454 0 30 CEAC Cc1ccc2ccccc2c1B(O)OC(C)(C)C(C)(C)O 575321441 RTMPQHZTEBGCNM-UHFFFAOYSA-N 286.180 2.402 0 30 CEAC Cc1nnsc1C(=O)Nc1cc(-c2ccccc2)nn1C 156634 REMDCQUYZAENHD-UHFFFAOYSA-N 299.359 2.499 0 30 CEAC CC(C)(C)OC(=O)N(CC(=O)O)c1ccc(O)cc1 37583800 ZUDUEEKXFRJNBN-UHFFFAOYSA-N 267.281 2.218 0 30 CEAC Fc1cc(F)c(NC(=S)N2CCOCC2)c(F)c1 139091 HVIBTYGLRYKBQG-UHFFFAOYSA-N 276.283 2.133 0 30 CEAC CCOC(=O)C1=C([C@H](C)c2ccccc2)NC(=O)N[C@@H]1C 146954 IHGQHXFNBUCFCE-GHMZBOCLSA-N 288.347 2.309 0 30 CEAC COc1cc(I)c(O)c(OC)c1 146750430 KZCVAZFLYXSWEP-UHFFFAOYSA-N 280.061 2.014 0 30 CEAC c1ccc(C(C2=NNCCN2)c2ccccc2)cc1 90755377 IGKMVYTZFRGNPA-UHFFFAOYSA-N 251.333 2.325 0 30 CEAC CC(C)(C)OC(=O)N1C(=O)C(C)(C)Oc2ccc(N)nc21 307249516 OMULLROHQRLBLD-UHFFFAOYSA-N 293.323 2.103 0 30 CEAC O=C1Oc2ccccc2[C@H](O)[C@@H]1Cc1ccccc1 90663137 KIUBWENSWLWWCC-ZFWWWQNUSA-N 254.285 2.498 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC(=O)O)C1(C)C 218268187 PIKQYICYLAWBSP-DTWKUNHWSA-N 257.330 2.401 0 30 CEAC COc1cc2c(cc1OC)[C@@H](CCCCCO)NCC2 32099021 NVTXDUGHWMXCTN-CQSZACIVSA-N 279.380 2.443 0 30 CEAC Cc1cccc(C2(O)CN(C(=O)OC(C)(C)C)C2)c1 89643915 NBQHAMDTZSVYAZ-UHFFFAOYSA-N 263.337 2.433 0 30 CEAC CC1(C)COC(=O)[C@H]2CC=CC[C@@]2(C)C(=O)OC1 141953925 KTUZUPSQYOXSOR-QMTHXVAHSA-N 252.310 2.085 0 30 CEAC CC(C)(CO)NC(=S)Nc1ccc(F)cc1F 139809 IUAZAFVFSMXQLU-UHFFFAOYSA-N 260.309 2.022 0 30 CEAC CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccccn1 38580511 VGHPUFIBMDVHCT-SNVBAGLBSA-N 266.297 2.122 0 30 CEAC CCN(CC)CCOc1ccccc1C(=O)OC 1656351 MDJGIUGPZDSKSV-UHFFFAOYSA-N 251.326 2.194 0 30 CEAC Cc1cc(C)n(-c2nnc(NN)c3c2[nH]c2ccccc23)n1 6070176 AYVDQVANXBLBHQ-UHFFFAOYSA-N 293.334 2.199 0 30 CEAC COC(=O)[C@@H]1CO[C@H](C(C)(C)C)N1Cc1ccccc1 22050387 ZTAOHROUZKWTRP-DZGCQCFKSA-N 277.364 2.433 0 30 CEAC in-vitro O=C(O)Cc1csc(NC[C@H]2CCCS2)n1 87670188 OZRXFIKWBOMENW-MRVPVSSYSA-N 258.368 2.078 0 30 CEAC CCCC(=S)N=c1scc(CC(=O)OCC)n1C 254842692 SIUOVIHAUFGTHP-UHFFFAOYSA-N 286.422 2.220 0 30 CEAC O=C(O)[C@@H]1CCO[C@H]1c1cnn(Cc2ccccc2)c1 309821553 PQHUTPHVAQIEEL-KGLIPLIRSA-N 272.304 2.094 0 30 CEAC Cc1cc(C(=O)N=[S@@](C)(=O)c2ccccc2)no1 13466450 CCQIJLKZOGGFAM-SFHVURJKSA-N 264.306 2.280 0 30 CEAC CCOC(=O)C[C@H](C(C)=O)P(=O)(OCC)OCC 2032243 UTHDIEPTEMHAMG-SNVBAGLBSA-N 280.257 2.163 0 30 CEAC CSC1=N/C(=C\N(C)C)C(=O)N1Cc1ccccc1 76887 WFUKYBGJDPTHSK-BENRWUELSA-N 275.377 2.151 0 30 CEAC CC(C)(C)S(=O)(=O)C(C#N)=NNc1ccc(C#N)cc1 254804113 NKGBYJPYLDRNDF-UHFFFAOYSA-N 290.348 2.021 0 30 CEAC CC(C)(O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 196266986 ZPVILADHIQHZJD-ZDUSSCGKSA-N 263.337 2.416 0 30 CEAC CC(C)(C)OC(=O)NC[C@H](CO)c1ccccc1 34553541 GVWMKFBBAJMCBC-GFCCVEGCSA-N 251.326 2.287 0 30 CEAC O=C(CN1CCCCC1)Nc1c(F)cccc1F 73713 YNCXRHMMRWMUJB-UHFFFAOYSA-N 254.280 2.389 0 30 CEAC COCCOc1cc(Br)cc(C(=O)OC)c1 309061674 KHPYTEMGEPCYLP-UHFFFAOYSA-N 289.125 2.261 0 30 CEAC CC(=O)[C@@H]1[C@H](O)C[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@H]12 252265568 NQHGSTTYLUUHTC-JNWWKETESA-N 254.370 2.006 0 30 CEAC CC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 34429152 PBISHRQHDSUMIJ-INIZCTEOSA-N 251.229 2.272 0 30 CEAC O=C(O)CCCC(=O)Nc1cc(-c2ccccc2)n[nH]1 155684 JTFKCJAJVFZJCG-UHFFFAOYSA-N 273.292 2.270 0 30 CEAC CC(C)(C)OC(=O)c1c[nH]nc1[C@H]1CCCCN1 756998983 QPVKTRCANQKRSE-SNVBAGLBSA-N 251.330 2.180 0 30 CEAC O=C(NC(=S)N1CCCCC1)c1ccc(F)cc1F 171844 BWAOXUMMXQZHDB-UHFFFAOYSA-N 284.331 2.465 0 30 CEAC COc1ccc2c(Br)c[nH]c(=O)c2c1 218122509 IUIGIHBFESJYRB-UHFFFAOYSA-N 254.083 2.299 0 30 CEAC COc1c(C)cc(N)cc1I 575727826 GVNRCXIPNCDMEV-UHFFFAOYSA-N 263.078 2.190 0 30 CEAC CC1=Nn2c(nc3sc(C)c(C)c3c2=O)SC1 160368 PTPFDKILWZUFPZ-UHFFFAOYSA-N 265.363 2.405 0 30 CEAC CN(CCOc1ccc(C=CC(=O)O)cc1)c1cnccn1 2265279758 MQRCBOZTSHCAKE-UHFFFAOYSA-N 299.330 2.090 0 30 CEAC CCOC(=O)[C@](O)(c1ccc(F)cc1)C(F)(F)F 34429536 MASBOSORSRWAOS-SNVBAGLBSA-N 266.190 2.139 0 30 CEAC C[C@H](c1cccc(OCCCNC=O)c1)N1CCCC1 33874889 FRVWYMBOASROEV-CQSZACIVSA-N 276.380 2.358 0 30 CEAC O=C1C[C@@H](c2ccc(O)c(OC3CCCC3)c2)CN1 38955440 KJXDMOACSRAMFI-LLVKDONJSA-N 261.321 2.317 0 30 CEAC COC(=O)c1noc2ccc(Br)cc12 98181567 WLVOSGRKENYNLY-UHFFFAOYSA-N 256.055 2.377 0 30 CEAC in-vitro CN(CC[C@H]1CCNC1)C(=O)OCc1ccccc1 888084834 BUTRKWNIDCOLHD-CYBMUJFWSA-N 262.353 2.255 0 30 CEAC FC(F)(F)CN[C@H]1CCN(Cc2ccccc2)C1 20595744 CGTWNODYCADUSP-LBPRGKRZSA-N 258.287 2.413 0 30 CEAC Cc1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1C 102187 FPPACALVZZTTPJ-HNNXBMFYSA-N 286.375 2.421 0 30 CEAC CCCOC(=O)[C@H](N)Cc1cc(Cl)oc1Cl 2265385009 PFMQZSZQLUTJPM-SSDOTTSWSA-N 266.124 2.409 0 30 CEAC COC(=O)c1n[nH]c2c(C)c(Br)ccc12 575440734 VPEIUBZKDOQTHL-UHFFFAOYSA-N 269.098 2.420 0 30 CEAC CC(C)(C)OC(=O)NC1(CN)Cc2ccccc2C1 698186984 QJKCDCHKODAXQZ-UHFFFAOYSA-N 262.353 2.007 0 30 CEAC COc1ccc(CCNc2cc(C)nc(N)n2)cc1OC 73362 RCUPJLVLOGAFPJ-UHFFFAOYSA-N 288.351 2.039 0 30 CEAC CCCCOC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F 32152046 HCVXJFNYTPUOKE-VIFPVBQESA-N 283.290 2.423 0 30 CEAC N[C@@H](CSCc1c(F)cccc1Cl)C(=O)O 140494 YLPXMVYJOKWKMN-VIFPVBQESA-N 263.721 2.124 0 30 CEAC CCOC(=O)C(=Cc1cc(C)c(C)o1)C(=O)OCC 4390160 XRQZFNYWRVFTJO-UHFFFAOYSA-N 266.293 2.406 0 30 CEAC Cc1nnsc1C(=O)Nc1cc(N)ccc1Cl 87427600 JJDPIPVZQRDONC-UHFFFAOYSA-N 268.729 2.334 0 30 CEAC CCOC(=O)c1nc2ccc(Br)cn2c1F 1083808019 UYFCNZAISADZBC-UHFFFAOYSA-N 287.088 2.413 0 30 CEAC COC(=O)c1cc(-c2ccc(C(=O)O)cc2)ccn1 90513765 QWUROVBYWLRREV-UHFFFAOYSA-N 257.245 2.233 0 30 CEAC CC(C)S[C@@H](NC(=O)OCc1ccccc1)C(=O)O 39225814 HMSDVICBKGZPCO-LLVKDONJSA-N 283.349 2.465 0 30 CEAC O=C(O)c1ccc(F)c(F)c1I 145431880 BBUJXMTVIWJSLS-UHFFFAOYSA-N 283.999 2.268 0 30 CEAC O=C(O)C[C@H](Sc1ccc(Cl)cc1)C(=O)O 107321 PVXOUDJOKQCGHV-QMMMGPOBSA-N 260.698 2.360 0 30 CEAC Clc1ccccc1N1CCN(Cc2c[nH]cn2)CC1 95934521 DPDAKLWWZKNKKQ-UHFFFAOYSA-N 276.771 2.385 0 30 CEAC CC(C)(C)OC(=O)NC1(C(=O)O)[C@H]2CCCC[C@@H]21 2265360070 XMXMSNDXCPOWHB-IUCAKERBSA-N 255.314 2.155 0 30 CEAC COc1ccccc1[C@@H]1CNC[C@H]1NC(=O)OC(C)(C)C 68575229 AZGMOUYTWMSTRT-QWHCGFSZSA-N 292.379 2.275 0 30 CEAC CC(=O)N/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)O 4710225 CIZAVZKYEIKINQ-POHAHGRESA-N 289.209 2.147 0 30 CEAC C[C@@H](Cc1cccc(Br)c1)c1nc(=N)n(C)[nH]1 952959173 COTVFVDMQIIMRM-QMMMGPOBSA-N 295.184 2.336 0 30 CEAC O=C(O)c1cc(OC(=O)c2ccccc2)cc(C(=O)O)c1 96330800 XDZUONXJNHZFMP-UHFFFAOYSA-N 286.239 2.302 0 30 CEAC O=C(O)c1cccc2c1O[C@@H](c1ccccc1)C(=O)N2 142148368 ZMZYMWQUNWEEHF-LBPRGKRZSA-N 269.256 2.457 0 30 CEAC CC[C@H](COCCCC(=O)O)NC(=O)OC(C)(C)C 2265378632 RGIDLEFVSPPCAI-SNVBAGLBSA-N 275.345 2.171 0 30 CEAC Nc1nc(-c2ccncc2)nc2c1cnn2-c1ccccc1 150696 CHNLPJPYMVZNIT-UHFFFAOYSA-N 288.314 2.460 0 30 CEAC CCN(CC)CCOC(=O)c1ccc(N(C)C)cc1 60234309 YWSQGRMTXSNLEA-UHFFFAOYSA-N 264.369 2.251 0 30 CEAC CC(C)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 33825345 VWJJZYQGOKGMAT-UHFFFAOYSA-N 276.380 2.189 0 30 CEAC COc1ccc(Br)c2c1CCNCC2 82164460 DXFYTAUJZQOFJB-UHFFFAOYSA-N 256.143 2.146 0 30 CEAC in-vitro O=C1Oc2ccccc2C(=O)[C@H]1[C@H]1NCCc2ccccc21 957719805 QHSARIJIZBWQFH-CVEARBPZSA-N 293.322 2.292 0 30 CEAC Cn1nc(-c2cccnc2)nc1-c1ccccc1CO 1445 UDBQGHIODMCIFZ-UHFFFAOYSA-N 266.304 2.036 0 30 CEAC in-man CC(C)(C)OC(=O)NC(=N)Cc1cccc(C(=O)O)c1 2599204 FJNKHAYRXWMQLZ-UHFFFAOYSA-N 278.308 2.429 0 30 CEAC O=[N+]([O-])C1=Cc2cc(Br)ccc2OC1 28631532 QSUROLZXISAMMG-UHFFFAOYSA-N 256.055 2.459 0 30 CEAC CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](CN)C1 238194083 KOSDXZFHFRRRIA-LBPRGKRZSA-N 262.353 2.480 0 30 CEAC O=C(OCc1ccccc1)N1CC[C@]2(CCCN2)C1 91297368 VTCIBYYNHXLWPJ-OAHLLOKOSA-N 260.337 2.151 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C(F)(F)F)C[C@]2(N)C1 2265384722 PCQYHKVSXXNGAO-RNSXUZJQSA-N 280.290 2.133 0 30 CEAC COCCOc1ccc(I)cc1 42226887 SWYNRJGYKYTVFQ-UHFFFAOYSA-N 278.089 2.316 0 30 CEAC CCOP(=O)(OCC)c1cccc(C(=O)O)c1 96395025 CTVOPDRNDWRPIR-UHFFFAOYSA-N 258.210 2.276 0 30 CEAC CCOC(=O)n1nc(O)c2c(C(F)(F)F)cc(C)nc21 2265385493 AXCOYECZFUAOCL-UHFFFAOYSA-N 289.213 2.469 0 30 CEAC O=C(O)[C@H]1NCC[C@@H]1c1cccc(C(F)(F)F)c1 92742208 QHAURQAMKRYSBP-ZJUUUORDSA-N 259.227 2.236 0 30 CEAC Cn1c(C(=O)O)nc2c(Br)cccc21 212498814 ULTIDJYIFJOHKP-UHFFFAOYSA-N 255.071 2.034 0 30 CEAC Cc1ccc2c(c1)C[C@@H](N1CCN(C)CC1)[C@H](C)C2 32266313 HXQWYDLQOIUDTJ-RHSMWYFYSA-N 258.409 2.346 0 30 CEAC O=C1CC2(CCN(C(=O)OCc3ccccc3)C2)C1 254286859 JNGSGUKHCNQSOU-UHFFFAOYSA-N 259.305 2.378 0 30 CEAC CC(C)N1CCC(=O)N(c2ccc3c(c2)CCO3)C1=O 153168 NMYWUIGZWPEFKG-UHFFFAOYSA-N 274.320 2.189 0 30 CEAC O=C1C=CC(=O)N1c1ccccc1OC(F)(F)F 102747 FQJYLEOAHQVMED-UHFFFAOYSA-N 257.167 2.015 0 30 CEAC c1ccc2oc(C3(Cn4cncn4)OCCCO3)cc2c1 33877852 QONLNYKQICMQRS-UHFFFAOYSA-N 285.303 2.314 0 30 CEAC CC(C)(C)OC(=O)N1CCc2nccc(C(=O)O)c2C1 258444318 HQWFLZYGVYHTBO-UHFFFAOYSA-N 278.308 2.073 0 30 CEAC CSc1nc(N)nc(COc2ccccc2Cl)n1 124350 NRMIHURIVQEJEH-UHFFFAOYSA-N 282.756 2.408 0 30 CEAC O=C(N[C@H]1CCc2ccccc21)[C@H]1CC=CC[C@H]1C(=O)O 252389441 JDAGKGRAMJYSHG-ZNMIVQPWSA-N 285.343 2.457 0 30 CEAC Brc1csc(N2CCSCC2)n1 86279423 HMXVXAZFEQFMAJ-UHFFFAOYSA-N 265.201 2.459 0 30 CEAC O[C@]1(c2ccc(F)cc2)Cc2ccccc2C2=NCCN21 100220271 ASAXCWFAAMUWMC-KRWDZBQOSA-N 282.318 2.289 0 30 CEAC CC(C)(C)OC(=O)N1CC(=O)[C@@H]1Cc1ccccc1 238141819 BERNCZJWUMYWDH-LBPRGKRZSA-N 261.321 2.418 0 30 CEAC COc1ccccc1N1CCN([C@@H]2CCCC[C@@H]2N)CC1 20260416 DENFVEMFMCOMOW-LSDHHAIUSA-N 289.423 2.087 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H]1CNCC[C@@H]1C(F)(F)F 521399022 QYQCZITWJGCWFA-IUCAKERBSA-N 282.306 2.299 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H](n2nccc2N)C1 685949621 VOTHOORLZYRRGN-JTQLQIEISA-N 266.345 2.037 0 30 CEAC CC(C)(O)C(C)(C)OB(O)c1cc2ccc(Cl)cc2[nH]1 200313110 LSYJGHDJMSVYRR-UHFFFAOYSA-N 295.575 2.075 0 30 CEAC O=c1c2c[nH]nc2nc(S)n1-c1ccc(Cl)cc1 159963 QHUKHGZTNJUBBI-UHFFFAOYSA-N 278.724 2.051 0 30 CEAC COCc1cc(=O)oc2cc(NC(=O)C3CC3)ccc12 3149399 NLYHQHJQKNQXJS-UHFFFAOYSA-N 273.288 2.288 0 30 CEAC CON=C[C@@H](C(C)=O)C(=O)Nc1ccc(Cl)cc1 254876486 NHPGTBIRYPVTHX-NSHDSACASA-N 268.700 2.116 0 30 CEAC COc1cc2c(cc1Br)OCC[C@H]2N 218281811 BLZRRFCKKDNLBE-MRVPVSSYSA-N 258.115 2.240 0 30 CEAC CCCc1c(C(=O)Nc2nc[nH]n2)cnn1-c1ccccc1 147605 VGGZREIBRODBSU-UHFFFAOYSA-N 296.334 2.195 0 30 CEAC OC1(c2cccc(OC(F)(F)F)c2)CCNCC1 59791856 CLNPVFGKRQXBQY-UHFFFAOYSA-N 261.243 2.156 0 30 CEAC CC(C)(C)OC(=O)N1CCC(=O)[C@H](c2ccccn2)C1 204228528 XDQWKJLOWYQZNG-NSHDSACASA-N 276.336 2.375 0 30 CEAC CC(C)(F)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 309891342 DTYYSSYVARIMHT-QMMMGPOBSA-N 263.309 2.493 0 30 CEAC CCOC(=O)c1nc(Cl)cc(Br)c1N 238279996 PDGKITLDLAYJSA-UHFFFAOYSA-N 279.521 2.256 0 30 CEAC Cc1nnsc1-c1nc2cccc(C)c2c(=O)o1 152177 DKJCPYXTPONLOO-UHFFFAOYSA-N 259.290 2.323 0 30 CEAC CO[C@@H]([C@H](C)C(=O)O)[C@H]1CCCN1C(=O)OC(C)(C)C 384309811 LNEHHTWYEBGHBY-AXFHLTTASA-N 287.356 2.122 0 30 CEAC Cc1[nH]c(C)c2c(=O)n(Cc3ccccc3)ncc12 113437 JVYMJYFXQIRMFO-UHFFFAOYSA-N 253.305 2.390 0 30 CEAC O=CN1CCC(C(=O)c2ccc(F)cc2F)CC1 22006528 YTHQJLIGWJTKPG-UHFFFAOYSA-N 253.248 2.016 0 30 CEAC CC1(C)S[C@H](c2ccc(F)cc2)N[C@H]1C(=O)O 4343041 DHVYVJWDRANRAT-VHSXEESVSA-N 255.314 2.393 0 30 CEAC O=Cc1cc(C(F)(F)F)ccc1N1CCOCC1 12370570 DIQGXZKPOSSQDH-UHFFFAOYSA-N 259.227 2.355 0 30 CEAC CC1(C)CC(=O)Nc2ncc(Br)cc21 238200494 WTYXMDAKZPAYRX-UHFFFAOYSA-N 255.115 2.464 0 30 CEAC CCOC(=O)c1ncn(-c2cccc(C(F)(F)F)c2)n1 91368977 RHJKBQPPUGZIJX-UHFFFAOYSA-N 285.225 2.463 0 30 CEAC in-vitro CCNC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 3159348 DJPLHEAOIPCDQL-SNVBAGLBSA-N 258.362 2.062 0 30 CEAC COc1cc2c(cc1OC)[C@H](CCCCO)NCC2 32099018 KHQQENQBSOUCAX-ZDUSSCGKSA-N 265.353 2.053 0 30 CEAC Cc1cc(Br)ccc1C(=O)N1CCN(C)CC1 48167287 NNRHWZYYIURZAO-UHFFFAOYSA-N 297.196 2.145 0 30 CEAC COC(=O)c1nc2c(s1)CCN(C(=O)OC(C)(C)C)C2 98095444 XGDKMIZKTXZPNF-UHFFFAOYSA-N 298.364 2.223 0 30 CEAC CN(C)C=NC(=O)NOCc1ccc(Cl)cc1 254905954 NWHTVPZVUJVDLA-UHFFFAOYSA-N 255.705 2.071 0 30 CEAC Nc1cc2nc(-c3ccc(C(=O)O)cc3)oc2cc1O 21303626 MEGSOOFTLVZOBY-UHFFFAOYSA-N 270.244 2.481 0 30 CEAC O=S(=O)(CC(F)F)c1ccc(Br)cc1 219057299 TXTLVDIWENHGDG-UHFFFAOYSA-N 285.109 2.488 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 675069956 JUEQEIOVZRBEEZ-QCLAVDOMSA-N 255.314 2.010 0 30 CEAC CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 71864474 ODVIBBIJXMZYKO-CYBMUJFWSA-N 290.363 2.489 0 30 CEAC Cc1snnc1C(=O)Oc1ccccc1-c1nnco1 110460 DVLIXQJJTQVJSO-UHFFFAOYSA-N 288.288 2.116 0 30 CEAC C[C@H](CN(C)C)[C@@H](C)OC(=O)c1ccc(N)cc1 2040222 MTNXJJYHFCSXCP-GHMZBOCLSA-N 250.342 2.012 0 30 CEAC CN(C)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(N)cc1O 33875445 DYZKHUPHFRSPBJ-OCCSQVGLSA-N 278.352 2.004 0 30 CEAC Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H](N)C(C)C 37771034 NXGQXTUQWAJYQF-NSHDSACASA-N 252.362 2.003 0 30 CEAC NC(=O)c1cc(Br)ccc1OC(F)(F)F 616576332 QTHBCLWGUFWKTL-UHFFFAOYSA-N 284.031 2.447 0 30 CEAC CNC(=O)O[C@@H](C)CN(C)c1cc(C)cc(C)c1 137179250 XDIIOLIFZDMGHX-LBPRGKRZSA-N 250.342 2.484 0 30 CEAC C=CCOc1ccc(N)cc1C(=O)N1CCCCC1 3627159 QSVABNAOBREGCO-UHFFFAOYSA-N 260.337 2.460 0 30 CEAC O=C1Oc2ccccc2C(=O)[C@@H]1[C@H]1NCCc2ccccc21 957719811 QHSARIJIZBWQFH-HOTGVXAUSA-N 293.322 2.292 0 30 CEAC CCOC(=O)C(Cl)=NNc1ccc(C)cc1[N+](=O)[O-] 254383387 VTYRGKOCSXKHPS-UHFFFAOYSA-N 285.687 2.431 0 30 CEAC O=C(O)c1cnn2cc(Br)cc2c1Cl 91692255 NSRLEUPCWIZYSE-UHFFFAOYSA-N 275.489 2.448 0 30 CEAC in-vitro Cc1c(Cl)cc(S(=O)(=O)O)c(O)c1Cl 38605097 OFKATMOSWWAWCZ-UHFFFAOYSA-N 257.094 2.254 0 30 CEAC O=S(=O)(O)[C@@H](O)c1ccc(F)c(Oc2ccccc2)c1 38634512 RQTZBKYKLAEYGI-CYBMUJFWSA-N 298.291 2.497 0 30 CEAC COCc1cc(N(C)C)nc(-c2csc(C)n2)n1 123738 AAZOEMBGBPTFFC-UHFFFAOYSA-N 264.354 2.121 0 30 CEAC CCO[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 5861672 PSUDQMZSXZWVJS-NSHDSACASA-N 272.237 2.152 0 30 CEAC CCCn1cc(C(=O)O)c(=O)c2cc(C)sc21 35570241 HIFYODGJSZGISQ-UHFFFAOYSA-N 251.307 2.480 0 30 CEAC O=C(O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 37310646 MRFXHBLYYUDVMP-UHFFFAOYSA-N 272.297 2.240 0 30 CEAC in-vitro COC(=O)C1=CCCN1C(=O)OCc1ccccc1 114772662 ANIXOIHULJVBGF-UHFFFAOYSA-N 261.277 2.086 0 30 CEAC O=C(OCc1ccccc1)N1CC2(CC[C@@H](O)C2)C1 307132005 UZENDBCQBBSJMP-CYBMUJFWSA-N 261.321 2.170 0 30 CEAC CCc1ccc(NN2C=C[C@@H](NC)[N+](C)=C2C)cc1 223583198 HEWYJRCSDQIOPK-HNNXBMFYSA-N 259.377 2.011 0 30 CEAC COC(=O)CCCn1cc(C2OC(C)(C)C(C)(C)O2)cn1 675045550 CLJPXCGFFRNKQC-UHFFFAOYSA-N 296.367 2.439 0 30 CEAC O=C(O)CNC(=O)Nc1cc(Cl)cc(Cl)c1 19978499 LUTUCNIKEYNGLK-UHFFFAOYSA-N 263.080 2.200 0 30 CEAC NS(=O)(=O)c1ccc2ccccc2c1Br 143903541 KMFLLCVYRPHBTR-UHFFFAOYSA-N 286.150 2.250 0 30 CEAC CCOC(=O)[C@@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 210366531 CPLPZQLLSROGLK-MNOVXSKESA-N 269.341 2.409 0 30 CEAC O=C(NCc1ccccc1)Nc1ccc(O)c(C(=O)O)c1 40532784 PNEHSISUXMYKOH-UHFFFAOYSA-N 286.287 2.412 0 30 CEAC CSc1sc(C(N)=O)c2c1-c1oncc1CC2 12367125 TXXLEGOAEROBLW-UHFFFAOYSA-N 266.347 2.323 0 30 CEAC O=C(C=C(C(=O)O)c1ccccc1)NNc1ccccc1 1398082 CWLGRMOQONJRHN-UHFFFAOYSA-N 282.299 2.298 0 30 CEAC Cc1ccc(C2(c3cccc(C=O)n3)OCCO2)cc1 38643749 NZHAUOLVIWXXBC-UHFFFAOYSA-N 269.300 2.450 0 30 CEAC CON(C)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 95883305 YTVUUDYUQSVIIV-HTQZYQBOSA-N 259.227 2.227 0 30 CEAC CC(=O)Nc1ccc(-n2cnc(C)n2)cc1Cl 38632902 XLAHWSDCSBZKAK-UHFFFAOYSA-N 250.689 2.188 0 30 CEAC O=C(OCc1ccccc1)N1CCC[C@@]2(CCNC2)C1 91690540 UTWLEEZMVYPFPN-INIZCTEOSA-N 274.364 2.399 0 30 CEAC CC(C)(C)OC(=O)N[C@@](C)(COc1ccccc1)C(=O)O 699391940 SMBUAVXMUIDAJO-HNNXBMFYSA-N 295.335 2.433 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H]2C[C@]2(C(=O)O)CC1 584645551 AJJSFSRSMSKRET-TVQRCGJNSA-N 255.314 2.108 0 30 CEAC CCOC(=O)COc1ccc(Cl)cc1C(=O)OC 84612 YLMYBXMHZWFLBG-UHFFFAOYSA-N 272.684 2.069 0 30 CEAC COc1ccccc1Nc1ncnc(-n2cccc2)n1 89657 NIRPNHGFCXMXDO-UHFFFAOYSA-N 267.292 2.415 0 30 CEAC Cn1ncc(Br)c1NC(=O)c1ccco1 116459 KPJVBGDGSVKCNN-UHFFFAOYSA-N 270.086 2.028 0 30 CEAC CCCO[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 725347413 CJOFQVFNZVQEKG-AWEZNQCLSA-N 287.356 2.267 0 30 CEAC Cc1ccccc1-n1c(-c2cccnc2)noc1=O 78230 POPVJMPAJAYSAZ-UHFFFAOYSA-N 253.261 2.196 0 30 CEAC CCOC(=O)[C@@H](C)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 38304380 ZASKAGBUBHJMCG-QWRGUYRKSA-N 299.367 2.154 0 30 CEAC CCOC(=O)c1sc(NN)c2c1CC(C)(C)CC2=O 95932056 SSVVNXWELGGFAF-UHFFFAOYSA-N 282.365 2.366 0 30 CEAC CC(C)[C@H]1N(C(=O)OC(C)(C)C)C[C@]12CCCN2 958719668 WJCNSNPJLILBHV-BXUZGUMPSA-N 254.374 2.384 0 30 CEAC N[C@H](Cc1ccc(-c2cccc(F)c2)cc1)C(=O)O 44285311 FCQAZEOPLJJZBF-CQSZACIVSA-N 259.280 2.447 0 30 CEAC Cn1nc(-c2ccc(C(N)=O)s2)cc1C(F)(F)F 125223 YJQZKOMAHWDQAM-UHFFFAOYSA-N 275.255 2.266 0 30 CEAC C[C@H](OC(=O)c1ccc(N)cc1)[C@H](C)CN(C)C 2040224 MTNXJJYHFCSXCP-MNOVXSKESA-N 250.342 2.012 0 30 CEAC CN[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O 117838689 SPGJOSPCBLHAMK-LBPRGKRZSA-N 251.326 2.079 0 30 CEAC CC[Sn](CC)(CC)c1ncco1 196641249 QLINIYOQQQFTAZ-UHFFFAOYSA-N 273.952 2.390 0 30 CEAC O=C(O)CCNc1ccccc1I 20480225 PECGTRRLCQNKOA-UHFFFAOYSA-N 291.088 2.178 0 30 CEAC COC(=O)[C@H](C)Oc1ccc(Cl)cc1C(C)=O 47915312 FMNSSROOQMEGQT-QMMMGPOBSA-N 256.685 2.483 0 30 CEAC CC(C)(C)OC(=O)c1cnc(N)c(Br)c1 118318651 JJHJCFIKZPSHOK-UHFFFAOYSA-N 273.130 2.382 0 30 CEAC CC(C)[C@@H]1N(C(=O)OC(C)(C)C)C[C@]12CCCN2 958719671 WJCNSNPJLILBHV-SMDDNHRTSA-N 254.374 2.384 0 30 CEAC CC(C)CC(=O)[C@H]1C(=O)C[C@@]2(CCC(C)(C)O2)C1=O 100126491 NDWVLRIACYVJEO-WFASDCNBSA-N 266.337 2.088 0 30 CEAC O=C(O)/C=C\C(=O)NCc1csc2ccccc12 12368617 ZMEMYPKYYAXSJG-WAYWQWQTSA-N 261.302 2.158 0 30 CEAC CCOC(=N)[C@H](O)c1ccc(Br)cc1 211758137 NSYKPHJFJJKYPK-SECBINFHSA-N 258.115 2.496 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2Oc3cccc(N)c3[C@@H]2C1 642882052 ZCKGEJNBYUHORO-SKDRFNHKSA-N 276.336 2.364 0 30 CEAC Cc1ccccc1C1(O)CN(C(=O)OC(C)(C)C)C1 89644124 UTMZNVFKKSTTFL-UHFFFAOYSA-N 263.337 2.433 0 30 CEAC CC(C)NC(=S)N1CCCN2C(=O)c3ccccc3[C@H]21 137116 JQFMMKUZJUSLAO-CYBMUJFWSA-N 289.404 2.130 0 30 CEAC C1=CC2=c3ccccc3=CN(Cc3ccccc3)N[C@@H]2C=C1 198865924 RQOIWZJXLCRMHK-HXUWFJFHSA-N 286.378 2.090 0 30 CEAC NC(=O)c1ccccc1NCC(=O)c1ccc(F)cc1 157927 HJPONYOXEBSCRX-UHFFFAOYSA-N 272.279 2.219 0 30 CEAC c1cc(CSc2nnc(-c3cnccn3)o2)ccn1 1378706 GYPJBKPQKVHUDY-UHFFFAOYSA-N 271.305 2.214 0 30 CEAC N[C@H]1CN(C(=O)Oc2ccccc2)CC12CCCC2 98090089 OKDAPKXLHRKQEX-ZDUSSCGKSA-N 260.337 2.389 0 30 CEAC Cc1cc(Br)cn2cc(C(N)=S)nc12 36226548 IMWSZEJEZJRRIQ-UHFFFAOYSA-N 270.155 2.039 0 30 CEAC in-vitro Cc1[nH]n(C(=O)C2CC2)c(=O)c1Cc1ccc(F)cc1 90286 RHFDKBBYLNLJQC-UHFFFAOYSA-N 274.295 2.265 0 30 CEAC COC(=O)C[C@@](C)(N)c1ccc(Br)cc1 86851574 ATCAGCZBJYMTBX-LLVKDONJSA-N 272.142 2.186 0 30 CEAC CC(C)[C@@H](NC(=O)c1cccnc1)n1nnc2ccccc21 34573901 VPXDUVOAHZOUIB-HNNXBMFYSA-N 295.346 2.411 0 30 CEAC Cc1ccc2oc(N3CCC(C(=O)O)CC3)nc2c1 39321024 DOQBYCONUAYJOK-UHFFFAOYSA-N 260.293 2.437 0 30 CEAC Cc1cc2c(C(N)=O)c(C)c(C)c(C(N)=O)c2cc1C 16698352 IUBUFBCVRWLOCA-UHFFFAOYSA-N 270.332 2.271 0 30 CEAC CC(C)(C)OC(=O)N1CCC(=O)[C@H]1c1cccnc1 141340119 VDAAIJAJSBUQNW-GFCCVEGCSA-N 262.309 2.333 0 30 CEAC CCOC(=O)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 198929577 CPLPZQLLSROGLK-GHMZBOCLSA-N 269.341 2.409 0 30 CEAC O=C(c1ccc(Br)cc1)c1cncnc1 45028820 NZJSYWPDXWYIMG-UHFFFAOYSA-N 263.094 2.470 0 30 CEAC in-vitro COC(=O)C1=CC=CN(C(=O)Oc2ccccc2)C1 1433268 NXAVZZSONPJLLA-UHFFFAOYSA-N 259.261 2.114 0 30 CEAC C[C@H](O)c1ccc(F)c(I)c1 299805251 FZVURDMNXKRARQ-YFKPBYRVSA-N 266.053 2.484 0 30 CEAC CC(C)(C)OC(=O)COc1ccc(CCC(=O)O)cc1 116597317 UPECNGLYBIFTLL-UHFFFAOYSA-N 280.320 2.424 0 30 CEAC Cc1cc2cccc(OC[C@@H](O)CNC(C)C)c2[nH]1 11525626 PHCKSUMDICXNDX-ZDUSSCGKSA-N 262.353 2.214 0 30 CEAC CCOC(=O)[C@H]1CC[C@@H](C#N)N(Cc2ccccc2)C1 38257594 HAILJONBXUFSOI-GJZGRUSLSA-N 272.348 2.354 0 30 CEAC CC1=CC[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2C1 100207641 OBRNZEPIFXFDKH-NEPJUHHUSA-N 285.299 2.261 0 30 CEAC CC1=NNC(=O)[C@@H]1Oc1ccc(Cl)cc1Cl 100314371 AEFIPCCALRQVBQ-SECBINFHSA-N 259.092 2.247 0 30 CEAC CCOC(=O)[C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 259778795 UUBKHANXCHHCFT-QWRGUYRKSA-N 271.357 2.443 0 30 CEAC COC(CNCc1ccc(F)c(Br)c1)OC 37388355 ZKXDPSKJJGYMAI-UHFFFAOYSA-N 292.148 2.297 0 30 CEAC in-vitro O=C(N[C@@H]1CN2CCC1CC2)c1cccc2c1CCCC2 13832754 UKUDKGCYXPIZRH-QGZVFWFLSA-N 284.403 2.389 0 30 CEAC in-vitro O=C(O)c1cc2c(Br)cccc2c(=O)o1 125275373 XFOFRQMKHZBMIP-UHFFFAOYSA-N 269.050 2.254 0 30 CEAC CO[C@H](C(=O)O)c1ccc(Br)s1 147841813 GVCIVSHEWYIZQL-LURJTMIESA-N 251.101 2.283 0 30 CEAC CCc1cc(Br)ccc1C1(N)COC1 2209909160 WMTOMQDDPVLVKB-UHFFFAOYSA-N 256.143 2.196 0 30 CEAC Cc1c2cnn(C)c(=O)c2c(C)n1Cc1cccs1 114456 QGLGHPCZZCVXFM-UHFFFAOYSA-N 273.361 2.462 0 30 CEAC CC(=O)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100207993 DJILQGNCXNMGHW-JTQLQIEISA-N 283.736 2.252 0 30 CEAC CC(C)(C)OC(=O)NCC(F)(F)Br 307163847 MCEBUBZJXLIARS-UHFFFAOYSA-N 260.078 2.499 0 30 CEAC OC1CCN(CCc2ccc(Br)cc2)CC1 82589148 KNWNHKDXKZGJMG-UHFFFAOYSA-N 284.197 2.448 0 30 CEAC CC(C)(C)OC(=O)N1CCC(c2cc(CN)on2)CC1 399506594 CPQWAYNJRVCGID-UHFFFAOYSA-N 281.356 2.248 0 30 CEAC NCCc1nc2cc3c(cc2n1-c1ccccc1)OCO3 2265385587 NUEUJSUSEXPENM-UHFFFAOYSA-N 281.315 2.255 0 30 CEAC CC[C@H](CO)NC(=O)OCc1ccc(Cl)cc1 242824923 FNAJTVSYHHYUGK-LLVKDONJSA-N 257.717 2.337 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2CCC[C@H]1[C@H]2C(=O)O 616582261 KMCBKRYBWQPIIY-UTLUCORTSA-N 255.314 2.107 0 30 CEAC C=CCc1cc(C(C)(C)C)ccc1OC[C@@H](O)CO 33825016 XPOXPTLEXHZSHD-AWEZNQCLSA-N 264.365 2.445 0 30 CEAC O=C(O)c1c(F)ccc(S(=O)(=O)C2CCCC2)c1F 37310775 XSDYIBSULGYISH-UHFFFAOYSA-N 290.287 2.379 0 30 CEAC in-vitro O=C(O)Cc1nc(-c2ccc(Br)s2)no1 70597514 KTBQIAQWYDKFIN-UHFFFAOYSA-N 289.110 2.188 0 30 CEAC CC(C)c1ccc2c(c1)O[C@@]1(O)c3ccccc3C(=O)[C@@]21O 205855326 MTLDSCJATRXZIU-ROUUACIJSA-N 296.322 2.432 0 30 CEAC COc1cc(Br)c(CCCO)cc1OC 106490944 KMGLJFHMSMVHGC-UHFFFAOYSA-N 275.142 2.391 0 30 CEAC FC(F)(F)Oc1ccc(-n2nnnc2Cl)cc1 90495694 QHMVGHTVCHFTEH-UHFFFAOYSA-N 264.594 2.214 0 30 CEAC Nc1oc2cc(Cl)c(Cl)cc2c(=O)c1C=O 90668695 QYHJQLINSMSWPY-UHFFFAOYSA-N 258.060 2.495 0 30 CEAC NC1(c2nc(Cc3cccnc3)no2)CCCCC1 53133631 CJJBWNDHRGJNQE-UHFFFAOYSA-N 258.325 2.174 0 30 CEAC N[C@H]1CCOc2ccc(I)cc21 16082996 IMWOQKPUSMKPEC-QMMMGPOBSA-N 275.089 2.074 0 30 CEAC C[C@@H](CN1CCCCC1)C(=O)c1ccc(CO)cc1 77293512 MBFHFUBFALKDKH-ZDUSSCGKSA-N 261.365 2.484 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CN)CCC[C@H]2C1 96958452 ATFHYPICLWVHFR-WOPDTQHZSA-N 254.374 2.228 0 30 CEAC O=C(CN1CCOCC1)c1c2c(cc3c1CCC3)CCC2 32131164 RCZPHHJZEJTTJF-UHFFFAOYSA-N 285.387 2.179 0 30 CEAC CON(C)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 95883309 YTVUUDYUQSVIIV-YUMQZZPRSA-N 259.227 2.227 0 30 CEAC O=C(O)c1cc2ccc(Br)cc2nn1 214513831 UHGVLGKQLGXPNY-UHFFFAOYSA-N 253.055 2.091 0 30 CEAC Nc1cc(Br)c(C(=O)O)c(Br)c1 96333844 WRKHXTXBQDPSEH-UHFFFAOYSA-N 294.930 2.492 0 30 CEAC O=C(NC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 1650014 DCVSNNYCVJWFPO-UHFFFAOYSA-N 287.159 2.230 0 30 CEAC NCc1cccc(-c2nc(CC(F)(F)F)no2)c1 42413071 QYLCTXQJFDVWPU-UHFFFAOYSA-N 257.215 2.300 0 30 CEAC CC(C)(C)OC(=O)N1CCC2(CCC[C@H](CO)O2)CC1 396163159 RCYIFUGPZPUECF-GFCCVEGCSA-N 285.384 2.318 0 30 CEAC COc1ccc(N2C(=O)[C@H](O)[C@@H]2c2ccccc2)cc1 6484372 FTOHXQPVCMMHRO-LSDHHAIUSA-N 269.300 2.144 0 30 CEAC in-vitro CC(C)[C@H](NC(=O)c1cccnc1)n1nnc2ccccc21 34573903 VPXDUVOAHZOUIB-OAHLLOKOSA-N 295.346 2.411 0 30 CEAC CCc1cccc(C)c1NC(=S)NCCC(=O)O 90404 SJEVVDLVVVLHKB-UHFFFAOYSA-N 266.366 2.319 0 30 CEAC O=C(O)C[C@@H]1Cc2cc(Br)ccc2C1=O 142288666 JKIHKCSKFFHIRV-ZETCQYMHSA-N 269.094 2.279 0 30 CEAC O=C(N1CCc2ccc([C@@H]3CO3)cc2C1)C(F)(F)F 669371589 ITKBZCZZROAREN-NSHDSACASA-N 271.238 2.205 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](c2ocnc2C(=O)O)C1 584883016 DUSIUNYEXZYJOC-SECBINFHSA-N 296.323 2.487 0 30 CEAC O=c1ccc(-c2ccc(F)c(Br)c2)n[nH]1 61689772 OCKICOKOAMOPKY-UHFFFAOYSA-N 269.073 2.339 0 30 CEAC CC(C)(C)c1cc2[nH]c(C(F)(F)F)cc(=O)n2n1 100219788 QACITKSTCIORAY-UHFFFAOYSA-N 259.231 2.339 0 30 CEAC CC(C)(C)OC(=O)N1CC(C#N)(c2ccccn2)C1 148000793 ZNOXLVUEDTYMGN-UHFFFAOYSA-N 259.309 2.094 0 30 CEAC O=C(NCc1ccco1)c1cc(F)cc2c1OCOC2 1034931 KWYSMESQIMKIAL-UHFFFAOYSA-N 277.251 2.215 0 30 CEAC O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1 8390477 OTNJJMRXPYYIIS-UHFFFAOYSA-N 274.725 2.121 0 30 CEAC CCNC(=O)c1n[nH]c2cc(Br)ccc12 238259930 IELUXUGWMNBPEW-UHFFFAOYSA-N 268.114 2.075 0 30 CEAC CCOC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 198843543 CPLPZQLLSROGLK-QWRGUYRKSA-N 269.341 2.409 0 30 CEAC CCOC(=O)C1CCN(CC(=O)c2ccc(C)cc2)CC1 63598679 MKAQURWXYCRZIK-UHFFFAOYSA-N 289.375 2.453 0 30 CEAC CS(=O)(=O)Cc1c(Br)ccc(F)c1F 306756556 MHGRMPGWMUSILB-UHFFFAOYSA-N 285.109 2.272 0 30 CEAC COc1ccc2ncc(C(=O)O)c(Br)c2n1 90548546 UXVVWOFTXSGSQU-UHFFFAOYSA-N 283.081 2.099 0 30 CEAC COC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)CCNC1 616574732 XBYLLSXBKXWFPO-GFCCVEGCSA-N 274.147 2.398 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1Oc1cn[nH]c1 708057350 UJIDUNVKJOBTHA-MNOVXSKESA-N 267.329 2.234 0 30 CEAC Cc1cc(N)c(C(=O)NCC(F)(F)F)cc1F 238855644 SICZFJOFBOMADX-UHFFFAOYSA-N 250.195 2.008 0 30 CEAC Clc1ncc(I)nc1Cl 642881698 ZJZLHUZOCHSRGQ-UHFFFAOYSA-N 274.876 2.388 0 30 CEAC CC[P@@](=O)(OC)Oc1ccc(S(C)(=O)=O)cc1 5955524 KULCGIYIYPVRSM-MRXNPFEDSA-N 278.266 2.328 0 30 CEAC CCOC(=O)CC(=O)Nc1scc(C)c1C(=O)OCC 80664 DFNSSEKQONZPCG-UHFFFAOYSA-N 299.348 2.125 0 30 CEAC COCCCNC(=O)c1ccccc1-c1cc(C)no1 4334663 AOKDLRBBWVWWBZ-UHFFFAOYSA-N 274.320 2.416 0 30 CEAC CC[C@@H](C)OC(=O)[C@H]1CCCCN1C(=O)C(F)(F)F 32221327 WPEYTXDPQFFBSD-RKDXNWHRSA-N 281.274 2.272 0 30 CEAC O=C1Oc2ccccc2[C@H](O)[C@H]1Cc1ccccc1 90663136 KIUBWENSWLWWCC-HIFRSBDPSA-N 254.285 2.498 0 30 CEAC CC(C)(C)OC(=O)N[C@H](C[C@@H]1CC1(F)F)C(=O)O 95774531 QEKPZMYIMVXKQB-RNFRBKRXSA-N 265.256 2.010 0 30 CEAC CC(C)c1ccc(NC(=N)NC(=N)N)c(Br)c1 20459049 TYWMNPAGONDVIZ-UHFFFAOYSA-N 298.188 2.402 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H]1CNCC[C@H]1C(F)(F)F 521399021 QYQCZITWJGCWFA-DTWKUNHWSA-N 282.306 2.299 0 30 CEAC O=C(O)c1cc(Br)cnc1C(F)F 238626639 JHSBYFTUGJBGSP-UHFFFAOYSA-N 252.014 2.480 0 30 CEAC COc1ncccc1NC(=O)c1cccc2nsnc12 12341012 UYVSMQFENQCSJF-UHFFFAOYSA-N 286.316 2.347 0 30 CEAC CN[C@H](C(=O)O)c1c[nH]c2cc(Br)ccc12 2599271 OEMNNAMYHFFZDG-JTQLQIEISA-N 283.125 2.276 0 30 CEAC COC(=O)C(C)(C)c1ccc(Br)cn1 115006253 XMMLLFLMLQPLAD-UHFFFAOYSA-N 258.115 2.295 0 30 CEAC CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(F)F 253185979 QQMVIXDQPWLOKT-ZCFIWIBFSA-N 253.245 2.010 0 30 CEAC C[C@@H](N)Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1 117188489 MQWGPHFTKXGETE-SECBINFHSA-N 260.728 2.422 0 30 CEAC O[C@H](CN1CCCCC1)N1C=C(c2ccccc2)OC1 95934617 IXSSPBTZDQURHB-MRXNPFEDSA-N 274.364 2.079 0 30 CEAC CCOC(=O)COc1ccc2c(c1)OC(C)(C)CC2=O 84870 ZJIDRLNCCWGBFS-UHFFFAOYSA-N 278.304 2.372 0 30 CEAC COc1cc(Cl)c(OC)c2sc(NN)nc12 14985094 NSGMPZKSZLSFRL-UHFFFAOYSA-N 259.718 2.253 0 30 CEAC CCC[C@H]1CNCCN1C(=O)OCc1ccccc1 39952233 VIKGAFRHDILOHV-AWEZNQCLSA-N 262.353 2.397 0 30 CEAC CC(C)(C)OC(=O)N1CCO[C@H](COCC2CC2)C1 95883368 BKBCOFNZZMMMHB-LBPRGKRZSA-N 271.357 2.049 0 30 CEAC CN(C)c1noc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 95942443 WPXPWBJQWHIUCK-SNVBAGLBSA-N 296.371 2.250 0 30 CEAC CCOC(=O)[C@@H]1[C@H]2C[C@@H]([C@H](F)C2)N1C(=O)OC(C)(C)C 953019044 RFJDSPUGSXQDSN-ZNSHCXBVSA-N 287.331 2.286 0 30 CEAC CC1=CC[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2C1 100207635 OBRNZEPIFXFDKH-VXGBXAGGSA-N 285.299 2.261 0 30 CEAC O=C(O)c1nc(Br)n2c1CCCCC2 2265381452 DRAABSTYCXBOPJ-UHFFFAOYSA-N 259.103 2.070 0 30 CEAC CCC[C@](C(N)=O)(c1ccccc1)c1cnccn1 96336337 SRIVTZZFEWOKMN-HNNXBMFYSA-N 255.321 2.048 0 30 CEAC O=C1CC[C@@H](C(=O)Oc2cccc3ccccc23)N1 34065252 KBXKGZPUJFVDLQ-LBPRGKRZSA-N 255.273 2.024 0 30 CEAC CCOC(=O)NN1C(=O)c2cccc3cccc(c23)C1=O 71091 MBGKMESALRVFTE-UHFFFAOYSA-N 284.271 2.097 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@@H]2CC(=O)O 709968489 JSVBJWIXWVXQCH-BBBLOLIVSA-N 255.314 2.107 0 30 CEAC CC(C)(C)OC(=O)NC[C@H](OCc1ccccc1)C(=O)O 95931680 WUSDEXXUMXDKBQ-LBPRGKRZSA-N 295.335 2.181 0 30 CEAC CC(C)(C)OC(=O)N1CCCC[C@@H](c2cnn[nH]2)C1 616625475 PGBAVLKWFQUTLC-SNVBAGLBSA-N 266.345 2.309 0 30 CEAC O=C(O)c1cnc(Oc2cncc(Br)c2)cn1 71182499 ARSFNTRHSWYQNG-UHFFFAOYSA-N 296.080 2.125 0 30 CEAC COc1cnn(Cc2cc(Cl)ccc2C(=O)O)c1 953043960 QQTLLRHYXGOZAB-UHFFFAOYSA-N 266.684 2.292 0 30 CEAC CCN(CC)c1ncc2c(S)[nH]c(=S)nc2n1 160106 WYQSTXIYPAQLIC-UHFFFAOYSA-N 267.383 2.217 0 30 CEAC Cc1cc(S(=O)(=O)Nc2ccnn2C)c(C)cc1Cl 116706 ZWMLTZRACFJOBJ-UHFFFAOYSA-N 299.783 2.491 0 30 CEAC O=C(O)CSC(SCC(=O)O)c1cccs1 2148852 OOHRNZKFCMVLGS-UHFFFAOYSA-N 278.376 2.382 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](C(=O)O)(C2)C1 238209626 UNYJLLHQRGYYNC-TVQRCGJNSA-N 255.314 2.108 0 30 CEAC Cc1ccc(C)c(OCc2ccccc2[C@@H](O)C(N)=O)c1 96331603 OZZHWYYPLDILTM-MRXNPFEDSA-N 285.343 2.401 0 30 CEAC CC(C)(C)OC(=O)N1CC2(CC(Br)=NO2)C1 218312843 IPZGNSYXTVKXOP-UHFFFAOYSA-N 291.145 2.105 0 30 CEAC N[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccccc1 98088227 AIVSYDHHQBFSFE-HNNXBMFYSA-N 273.307 2.439 0 30 CEAC CCOC(=O)c1ccc(N2C(=O)c3ccncc3C2=O)cc1 102067 RXCYVVYYNJKUIQ-UHFFFAOYSA-N 296.282 2.059 0 30 CEAC CC[C@@H](C)OC(=O)[C@@H]1CCCCN1C(=O)C(F)(F)F 32221325 WPEYTXDPQFFBSD-BDAKNGLRSA-N 281.274 2.272 0 30 CEAC CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN2)CC1 71482205 NHFQVUKXYIVIDF-LBPRGKRZSA-N 254.374 2.386 0 30 CEAC in-vitro CCOC(=O)c1cc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2 114956877 BLOAHJHWRSLTQT-UHFFFAOYSA-N 294.351 2.485 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H](CO)c1ccc(F)cc1 140580884 XFLCSUFZDRUSSK-NSHDSACASA-N 269.316 2.426 0 30 CEAC Oc1c(I)ccc(F)c1F 219762787 IQFGJCLJRAIXBK-UHFFFAOYSA-N 255.989 2.275 0 30 CEAC CCc1c(C)sc2nc(C)nc(SCC(N)=O)c12 4888796 HRYALDDVEIEJGD-UHFFFAOYSA-N 281.406 2.448 0 30 CEAC Cc1c(/N=N/c2ccccc2O)c(O)n(C)c(=O)c1C#N 39140212 BLWKQQRDGPJRTG-WUKNDPDISA-N 284.275 2.392 0 30 CEAC O=C(O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccc(F)cc1 407987003 PTBSLZXOEYOSSN-DGCLKSJQSA-N 276.267 2.174 0 30 CEAC COC(=O)c1sccc1NC(=O)[C@H]1CCCS1 1047852 YRZGCVAYDGQBMI-MRVPVSSYSA-N 271.363 2.369 0 30 CEAC COC(=O)Cc1c(F)cc(Br)cc1F 238382109 IBZQCHWAYCYBEB-UHFFFAOYSA-N 265.053 2.443 0 30 CEAC Cc1nn(C)cc1[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 309770757 PXNIGDCUGGKWPD-JKSUJKDBSA-N 299.374 2.029 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)O)C[C@H]2C1 757120278 DFEAEILULKWLCN-ZANVPECISA-N 255.314 2.108 0 30 CEAC CC(=O)OC[C@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C[C@H]1COC(C)=O 263589284 HUYMSHFTYVVGSK-AYYATWNNSA-N 280.364 2.411 0 30 CEAC O=C(c1cccnc1)N1CCC(c2ccccc2)=N1 9104 MMLDYHKMZSYFBM-UHFFFAOYSA-N 251.289 2.332 0 30 CEAC CC(C)(C)OC(=O)NC[C@]12CCCC[C@H]1CNC2 32625260 OCBLBCHMNLRFCF-SMDDNHRTSA-N 254.374 2.291 0 30 CEAC CCOC(=O)[C@@H]1CC[C@@H](C#N)N(Cc2ccccc2)C1 38257592 HAILJONBXUFSOI-CABCVRRESA-N 272.348 2.354 0 30 CEAC O=C(O)CCNC(=S)Nc1ccc(F)c(Cl)c1 89597 ZYSNQCSMLJNYMJ-UHFFFAOYSA-N 276.720 2.240 0 30 CEAC COC(=O)C(F)(F)c1ccnc(Br)c1 307496731 JFBTXEVFSQAAID-UHFFFAOYSA-N 266.041 2.109 0 30 CEAC COc1cc(C(=O)O)c(C(=O)O)c(Cl)c1Cl 143444382 QDURJKAHPJPIGG-UHFFFAOYSA-N 265.048 2.398 0 30 CEAC CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccncc1 38580513 RZJMNQBVADPLDQ-SNVBAGLBSA-N 266.297 2.122 0 30 CEAC CC[C@@H](C)[C@@](C)(COC(N)=O)COC(=O)NC(C)C 1999413 CBDPCXYQNVDTMW-MFKMUULPSA-N 274.361 2.269 0 30 CEAC in-man OCc1nc(-c2ccccc2)n(-c2ccccc2)n1 145278423 XFVZDCMWINWAFE-UHFFFAOYSA-N 251.289 2.427 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](c2cccc(O)c2)C1 958689774 CQQHTLXZPQJYFL-QWHCGFSZSA-N 279.336 2.087 0 30 CEAC CC[C@@H](C)N(C)C(=O)c1nc(O)c2ccccc2n1 68652755 CWTIVJAOMXBWAF-SECBINFHSA-N 259.309 2.206 0 30 CEAC CCOC(=O)[C@]1(C)CN(c2cccc(F)c2)C(=O)O1 260690643 UDLXVCKELGQEBR-ZDUSSCGKSA-N 267.256 2.104 0 30 CEAC CCN(CC)C(=O)[C@@]1(c2ccc(C)cc2)C[C@H]1CN 1846951 FWSXXKQITHMJAY-GOEBONIOSA-N 260.381 2.080 0 30 CEAC c1csc(-c2csc(N3CCNCC3)n2)c1 19728690 DUZYSTIBPOZFHI-UHFFFAOYSA-N 251.380 2.281 0 30 CEAC in-vitro CCOC(=O)CSc1nc2cccnc2s1 80755 SCDRJDCSZVYUCB-UHFFFAOYSA-N 254.336 2.347 0 30 CEAC CCC(=O)c1c(OC)cc(OC)cc1C(=O)OC 12370115 MOWOKJBINDKNSJ-UHFFFAOYSA-N 252.266 2.083 0 30 CEAC CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1CCO 95626621 NBQNBISPSRUQOO-LLVKDONJSA-N 252.701 2.061 0 30 CEAC COc1c(Br)cc(F)c(F)c1CC(=O)O 257744716 UAMKYNNXMWVWBD-UHFFFAOYSA-N 281.052 2.363 0 30 CEAC COc1cc(SCCF)c(OC)cc1CCN 27302092 ZBUUUKBTOCTOPW-UHFFFAOYSA-N 259.346 2.267 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CCCC[C@H](c2cnn[nH]2)C1 616630657 PGBAVLKWFQUTLC-JTQLQIEISA-N 266.345 2.309 0 30 CEAC CNc1cc(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1 135089 ITOISRVXAOEGQQ-UHFFFAOYSA-N 293.326 2.030 0 30 CEAC CCN(CC)CCNC(=O)CCCc1ccccc1 2000809 ZVOGUCLHLOAMOC-UHFFFAOYSA-N 262.397 2.467 0 30 CEAC Cc1cc(C)n(-c2cnc(C(C)C)nc2C(=O)O)n1 50362646 FHKXNXXELSHYMN-UHFFFAOYSA-N 260.297 2.101 0 30 CEAC CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 252517054 ZDPQEKUTKOFKQQ-CYBMUJFWSA-N 264.394 2.239 0 30 CEAC CSCC[C@H](CC(=O)O)NC(=O)c1cccs1 4344787 RHDVBMYNVYBJJT-MRVPVSSYSA-N 273.379 2.074 0 30 CEAC Nc1c(Oc2cccc(C(=O)O)c2N)cccc1C(=O)O 5161672 DWTYTLYFPQXMCY-UHFFFAOYSA-N 288.259 2.040 0 30 CEAC CN(N)C(=S)Nc1cc(Cl)ccc1Cl 145141 ZLKUABKKAXTBMG-UHFFFAOYSA-N 250.154 2.496 0 30 CEAC Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N 34754349 DKNJVXQYASCHAB-UHFFFAOYSA-N 282.391 2.391 0 30 CEAC CCOC(=O)[C@H](N)c1c[nH]c2ccc(Br)cc12 214822034 AKHHHJINARUKLZ-LLVKDONJSA-N 297.152 2.493 0 30 CEAC CO[C@H]1OC(C(C)C)(C(C)C)C(=O)N1CC(F)(F)F 32187754 LOZGVUBVUBNEPF-JTQLQIEISA-N 283.290 2.388 0 30 CEAC O=C(O)C1=NN(c2ccc(F)c(Cl)c2)C(=O)CC1 701108421 WAYCJWLLUKONOR-UHFFFAOYSA-N 270.647 2.047 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C(=O)O 76189953 BQBZFVBNWIBSHC-BQBZGAKWSA-N 283.246 2.259 0 30 CEAC Oc1cncc(Cl)c1I 307072683 IUUDYESXVJUAHA-UHFFFAOYSA-N 255.442 2.045 0 30 CEAC CC1=CC[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2C1 100207638 OBRNZEPIFXFDKH-NWDGAFQWSA-N 285.299 2.261 0 30 CEAC CCOC(=O)c1cnn2c(C)c(Cl)c(C)nc12 37593682 GOYNHVIOZHHHAP-UHFFFAOYSA-N 253.689 2.176 0 30 CEAC CC(=O)CSc1cc(-c2ccccc2)nc2ncnn12 158904 LBUXZTQNWRBDTE-UHFFFAOYSA-N 284.344 2.472 0 30 CEAC O=C(NC[C@@H](O)c1ccccc1)Nc1ccc2c(c1)CCO2 152421 YFGMTXHMNSHPOQ-OAHLLOKOSA-N 298.342 2.477 0 30 CEAC O=C(O)/C=C\C(=O)Nc1ccccc1OC(F)(F)F 33364543 CGQSJWRYSHWAOB-WAYWQWQTSA-N 275.182 2.165 0 30 CEAC CC(C)(C)OC(=O)[C@H]1CCN(CC(F)(F)F)C1 98210072 LTOQAOLLIKVIKG-QMMMGPOBSA-N 253.264 2.212 0 30 CEAC CCOC(=O)[C@@H](N)c1c[nH]c2ccc(Br)cc12 91691750 AKHHHJINARUKLZ-NSHDSACASA-N 297.152 2.493 0 30 CEAC Cc1cc(OCCN(C)C)n(Cc2ccccc2)n1 3641578 ROWFYAJOERBGDW-UHFFFAOYSA-N 259.353 2.180 0 30 CEAC CCc1c(O)nc2sc3cc(OC)ccc3n2c1=O 12368363 BGFSBMSLGCKNPH-UHFFFAOYSA-N 276.317 2.186 0 30 CEAC O=c1nc2c(O)ccccc-2n1Cc1ccccc1 100116447 XQGUVILLXDSTFG-UHFFFAOYSA-N 252.273 2.102 0 30 CEAC CCOC(=O)c1nc(CC(C)(F)F)sc1N 950757244 KVYRSLVXAVXPHZ-UHFFFAOYSA-N 250.270 2.100 0 30 CEAC Cc1c2cnc(Cl)[nH]c-2nc(=N)c1Br 2265364150 KLYZERWPNSRHAR-UHFFFAOYSA-N 273.521 2.113 0 30 CEAC COC(=O)Cc1cccc(Br)c1OC 113485114 WMEIUUPTALUWBT-UHFFFAOYSA-N 259.099 2.173 0 30 CEAC COc1cc2c(cc1OC)C(=O)[C@@]1(CCCCN1)CC2 146591376 LDPJJHARWMWUSK-MRXNPFEDSA-N 275.348 2.345 0 30 CEAC O=C(O)CC1(c2ccc(Br)cc2)COC1 258786440 MHSLMSMPBQFWOX-UHFFFAOYSA-N 271.110 2.192 0 30 CEAC CCOc1cc(Br)cc(C(=O)O)c1N 87972186 NBFPJJDFDLREKN-UHFFFAOYSA-N 260.087 2.128 0 30 CEAC O=C(O)c1nc(Cl)sc1I 95830423 XTXPIFCFHHLQTJ-UHFFFAOYSA-N 289.481 2.099 0 30 CEAC Cc1noc(C)c1CCn1c(CCN)nc2ccccc21 2265384626 BQYHZIRYTQSRFE-UHFFFAOYSA-N 284.363 2.385 0 30 CEAC COC1=CC(=O)O[C@H](C=Cc2ccc3c(c2)OCO3)C1 2265306973 GTEXBOVBADJOQH-LLVKDONJSA-N 274.272 2.274 0 30 CEAC CC1(C)CC(NCCCCCCN)CC(C)(C)N1 33606216 GXFQBBOZTNQHMW-UHFFFAOYSA-N 255.450 2.404 0 30 CEAC CC[C@@]12C[C@H]3C[C@@](NC(C)=O)(C1)C[C@@](C(=O)O)(C3)C2 100243497 HPMOYMFFMYKWGN-FAAHXZRKSA-N 265.353 2.326 0 30 CEAC CC(C)(C)OC(=O)Nc1cccc(C(=O)O)c1N 89194822 GUOZBNNNPLTHOR-UHFFFAOYSA-N 252.270 2.314 0 30 CEAC Nc1ccc([N+](=O)[O-])cc1[S@](=O)c1ccccc1 148789329 XRPBMRLORQFRNY-SFHVURJKSA-N 262.290 2.344 0 30 CEAC NC(=O)c1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)cc1 95932514 KLHHCQNXFYICOB-QGZVFWFLSA-N 296.370 2.439 0 30 CEAC CC(C)n1nnc(Br)c1Br 204939228 BHRPEVQXOULOKP-UHFFFAOYSA-N 268.940 2.384 0 30 CEAC CNC1CCN(c2ccc(C(F)(F)F)nc2)CC1 214969954 SPJKFFHNKDLGCC-UHFFFAOYSA-N 259.275 2.289 0 30 CEAC COC(=O)c1nn(-c2ccccc2)c2oc(=O)cc(C)c12 1039506 KSPJTKNESXAQRB-UHFFFAOYSA-N 284.271 2.074 0 30 CEAC O=c1c2c([nH]c3cc(-c4ccccc4)nn13)CSC2 100219646 ALYNBKOPTAVBEK-UHFFFAOYSA-N 269.329 2.436 0 30 CEAC O=C(O)c1ncc(Br)cc1C(F)F 147586898 WXGJOGWCUJJETH-UHFFFAOYSA-N 252.014 2.480 0 30 CEAC CCOC(=O)[C@H]1CCC[C@@H](c2ccc(OC)cc2)N1 39927877 JKHJXWIIPRBDIN-UONOGXRCSA-N 263.337 2.442 0 30 CEAC CCOc1cccc(NCC(=O)N(CC)CC)c1 49566004 CVQFINRSZSXKGD-UHFFFAOYSA-N 250.342 2.366 0 30 CEAC CCOC(=O)CCNc1cc(NC(C)=O)ccc1OC 5139791 NVGTWNRISAWCBH-UHFFFAOYSA-N 280.324 2.019 0 30 CEAC c1ccc(C[C@H]2CN[C@H](Cc3ccccc3)CN2)cc1 22924903 MHZXGSQZAQYQPG-HDICACEKSA-N 266.388 2.402 0 30 CEAC COC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)CCNC1 616574733 XBYLLSXBKXWFPO-LBPRGKRZSA-N 274.147 2.398 0 30 CEAC COc1ccccc1N1CCN([C@@H]2CCCC[C@H]2N)CC1 20260420 DENFVEMFMCOMOW-HUUCEWRRSA-N 289.423 2.087 0 30 CEAC COC(=O)c1cc(Br)c(C)c(N)c1F 716335590 PYUBGONWLPPDJP-UHFFFAOYSA-N 262.078 2.265 0 30 CEAC COCCn1cnc2cc(Br)ccc21 215850546 FFUYWVOODFMGHI-UHFFFAOYSA-N 255.115 2.445 0 30 CEAC O=C(Oc1cccc(CO[N+](=O)[O-])c1)c1ccncc1 214487545 IKFCCSMYHTXFMW-UHFFFAOYSA-N 274.232 2.009 0 30 CEAC O=C1OC(c2ccccc2)=NC1=CNc1nccs1 2265279457 IWGPFCMTUODULZ-UHFFFAOYSA-N 271.301 2.400 0 30 CEAC O=C1CCC(=O)N1CNc1ccccc1OC(F)(F)F 128859 PRHPMJOTAVXRFR-UHFFFAOYSA-N 288.225 2.104 0 30 CEAC O=C(OCc1ccccc1)N1CC[C@]12CCCNC2 91690555 PSWWJLDDNOFCJW-HNNXBMFYSA-N 260.337 2.151 0 30 CEAC CCOC(=O)CCCSc1nnc(S)s1 3128876 ABFDJGBWETYPLL-UHFFFAOYSA-N 264.397 2.262 0 30 CEAC O=C(O)COCC(=O)Nc1cc(Cl)cc(Cl)c1 100807 YBLMXSZLRLVNPI-UHFFFAOYSA-N 278.091 2.033 0 30 CEAC CC(=O)N1CCC(NC(=O)Oc2ccc(Cl)cc2)CC1 142976 RVCOIAAOFZAKTP-UHFFFAOYSA-N 296.754 2.439 0 30 CEAC CC1=NNC(=O)[C@H]1Oc1ccc(Cl)cc1Cl 100314375 AEFIPCCALRQVBQ-VIFPVBQESA-N 259.092 2.247 0 30 CEAC COc1nccc(Cl)c1I 238425550 XCNUCOZRBHLANT-UHFFFAOYSA-N 269.469 2.348 0 30 CEAC O=C(O)[C@@H]1COc2c(Br)cccc2C1 96028893 NGZDYSMQMJYANJ-ZETCQYMHSA-N 257.083 2.085 0 30 CEAC CC[C@@H](C)[C@@H](CO)NC(=O)OCc1ccccc1 135816238 RIESWPZCQMFUMF-DGCLKSJQSA-N 251.326 2.320 0 30 CEAC O=C(O)COc1cc(Br)cc(F)c1F 146512206 XHHXIDDFEUGCQR-UHFFFAOYSA-N 267.025 2.191 0 30 CEAC CC(C)(C)OC(=O)N1CCC(NC[C@H]2CCCO2)CC1 36878899 CBVNVTOWVGDXBT-CYBMUJFWSA-N 284.400 2.155 0 30 CEAC Nc1cc(Cl)ccc1C(=O)N1CCSCC1 149984 WWKOLLRKZULERF-UHFFFAOYSA-N 256.758 2.111 0 30 CEAC Clc1ccc(-c2cnn(C[C@@H]3CCNC3)n2)cc1 2265385637 UMQKHHDQLKRLBH-SNVBAGLBSA-N 262.744 2.208 0 30 CEAC COC(=O)C(=O)CC(=O)c1c(Cl)cccc1Cl 400812555 YPBPQOTVYIRVAX-UHFFFAOYSA-N 275.087 2.308 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](c2nocc2C(=O)O)C1 2265385012 PHECNNAZQMNTRF-QMMMGPOBSA-N 282.296 2.097 0 30 CEAC O=Cc1ccc(NS(=O)(=O)c2ccccc2)cc1O 335321 SFMIGFOCOPOAFP-UHFFFAOYSA-N 277.301 2.006 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H](n2cc(N)cn2)C1 116888667 GTEFUHRBXXWZIJ-NSHDSACASA-N 266.345 2.037 0 30 CEAC O=C(O)[C@H]1CCN(Cc2ccccc2)CC1(F)F 224220591 OFAYEFASYBFVIA-LLVKDONJSA-N 255.264 2.228 0 30 CEAC Cc1c(Cl)nc2ccc(Br)cn2c1=O 725243868 AGFXXUYBRGWLIR-UHFFFAOYSA-N 273.517 2.419 0 30 CEAC COc1c(C=O)c(C)nn1-c1ccc(F)cc1F 536555948 JBKULWNAIKQENB-UHFFFAOYSA-N 252.220 2.280 0 30 CEAC COc1cc(Cl)cc(Cl)c1N1N=C(N)CC1=O 5998949 OHOJALQXKVUGNB-UHFFFAOYSA-N 274.107 2.011 0 30 CEAC CCC(CN(C)C)(CN(C)C)OC(=O)c1ccccc1 31483541 VEXNFKCQMGMBBJ-UHFFFAOYSA-N 278.396 2.115 0 30 CEAC O=C(O)c1cccc(C(=O)OCc2ccccc2)n1 115645052 BUGIQUUGSSDEMD-UHFFFAOYSA-N 257.245 2.137 0 30 CEAC CC(C)(O)CN=c1cc(Cl)c2ccccc2[nH]1 503713119 PAMAFUPBQQVJCS-UHFFFAOYSA-N 250.729 2.493 0 30 CEAC O=C1c2ccccc2N[C@@H]1[C@H]1Nc2ccccc2C1=O 100488583 JOTRJOWDDJFASP-ZIAGYGMSSA-N 264.284 2.340 0 30 CEAC C[C@@H](CN(C)C)Cn1sc2ccccc2c1=O 38634980 KKVWYFKWZWCPOZ-JTQLQIEISA-N 250.367 2.261 0 30 CEAC O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1 134330 FCPXRIBIDATENX-UHFFFAOYSA-N 295.323 2.060 0 30 CEAC NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccco1 33956055 CLFNZQXBLBIKHO-DHZHZOJOSA-N 258.233 2.214 0 30 CEAC CCOC(=O)[C@]1(C)C=CCN1C(=O)OC(C)(C)C 260826158 VWMIQRGXMQVPSD-ZDUSSCGKSA-N 255.314 2.115 0 30 CEAC Cc1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 39398681 ZUEJEJCYPTYLDY-UHFFFAOYSA-N 258.298 2.372 0 30 CEAC CC[C@H](CO)NC(=S)Nc1c(C)cccc1C 71825 AMLWTJNKWZXLMO-LLVKDONJSA-N 252.383 2.361 0 30 CEAC COC(=O)[C@@H](CCSC)NC(=O)OCc1ccccc1 33696137 YGDBSBBHEWHVAJ-GFCCVEGCSA-N 297.376 2.208 0 30 CEAC Cn1/c(=N/N=c2\oc3ccccc3n2C)oc2ccccc21 100399021 BWWXLDSCYZFXAY-IQRFGFHNSA-N 294.314 2.273 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H](N)C(F)(F)C(F)(F)F 642883040 QFINYASMKCHZDX-RXMQYKEDSA-N 278.221 2.036 0 30 CEAC CC(C)(C)Oc1ccccc1B(O)OC(C)(C)C(C)(C)O 2265364169 MRGSIAHRRUWFOY-UHFFFAOYSA-N 294.200 2.118 0 30 CEAC CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1n[nH]c3ccccc13)C2 267325980 GHVQAOGYNZNTIA-XYYAHUGASA-N 298.390 2.308 0 30 CEAC in-vitro COc1ccc(OC)c(C=C2[C@H](O)C3CCN2CC3)c1 2265271910 DKVIIGLIDAFWEJ-MRXNPFEDSA-N 275.348 2.131 0 30 CEAC CC(=O)N[C@H](Cc1cccc(-c2ccccc2)c1)C(=O)O 2265378668 NCCMKRNAWVQQKG-MRXNPFEDSA-N 283.327 2.485 0 30 CEAC CN(C)CCN1CCN(c2cccc(Cl)c2)C1=O 1556 KACVTTZEMNWITH-UHFFFAOYSA-N 267.760 2.144 0 30 CEAC in-man O=C(O)c1cc2cc(Cl)ccc2nc1C(=O)O 32099564 NECVMOFXLIYTLA-UHFFFAOYSA-N 251.625 2.285 0 30 CEAC CN1C[C@H]2CC[C@H]1C[C@H](NC(=O)c1ccccc1)C2 247722698 BVDHQJBRTAVWED-CFVMTHIKSA-N 258.365 2.289 0 30 CEAC CSC(=NC#N)N1CCN(c2cccc(Cl)n2)CC1 254737358 ZTOOAWWMNHODDD-UHFFFAOYSA-N 295.799 2.057 0 30 CEAC COc1ccc(C=Cc2ccnc3ncnn23)cc1 2265276242 KCVBNOWGGKNYGM-UHFFFAOYSA-N 252.277 2.303 0 30 CEAC Cc1csc2ncnc(N3CCC(C(=O)O)CC3)c12 118094 NDOCLDJACDILPD-UHFFFAOYSA-N 277.349 2.301 0 30 CEAC Cc1nc2nc(=N)[nH]n2c(C)c1CC=Cc1ccccc1 2265270100 UANGGBODASIPBX-UHFFFAOYSA-N 279.347 2.410 0 30 CEAC COc1cccc2c1c(NC(=O)c1cc(C)on1)nn2C 146371 GTEAZTRHXKDTBC-UHFFFAOYSA-N 286.291 2.131 0 30 CEAC CC(C)(C)OC(=O)N1CCNC[C@@H]1CC(F)(F)F 95642294 QDJQPSDQSUMFFG-QMMMGPOBSA-N 268.279 2.148 0 30 CEAC COC(=O)c1cc(OC)c(C)c(O)c1Br 716334265 JGVQZBMHKAMXID-UHFFFAOYSA-N 275.098 2.258 0 30 CEAC CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)C(=O)O 725500486 CDJYNZSBXGSGDA-NSHDSACASA-N 287.356 2.029 0 30 CEAC CC(C)c1ccc2c(c1)O[C@]1(O)c3ccccc3C(=O)[C@]21O 205855315 MTLDSCJATRXZIU-QZTJIDSGSA-N 296.322 2.432 0 30 CEAC CSc1n[nH]c(NC(=O)C=Cc2ccccc2)n1 2265239500 FOHNKYHXLLDUFT-UHFFFAOYSA-N 260.322 2.179 0 30 CEAC IC12CC(CC3COC3)(C1)C2 2265385169 KNGRUMDGEQTCRN-UHFFFAOYSA-N 264.106 2.381 0 30 CEAC O=C(O)c1nnc(-c2ccc(Br)cc2)o1 32116289 VUXXQOBKCKQTCG-UHFFFAOYSA-N 269.054 2.197 0 30 CEAC COc1cc([S@@](=O)O)ccc1Br 125991475 AZUFWXFSNZHNEQ-UHFFFAOYSA-N 251.101 2.038 0 30 CEAC CCCO[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 725347414 CJOFQVFNZVQEKG-CQSZACIVSA-N 287.356 2.267 0 30 CEAC COC(=O)[C@@H]1CCc2cnn(-c3ccccc3)c2C1 260895409 HGEQBNMSCMNYLS-LLVKDONJSA-N 256.305 2.150 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)O)C[C@@H]2C1 757120263 DFEAEILULKWLCN-RNCFNFMXSA-N 255.314 2.108 0 30 CEAC O=C(O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1 114140935 NVFKWVJORSZTSG-UHFFFAOYSA-N 275.226 2.240 0 30 CEAC CN[C@H]1CCCc2cc(OC)c(OC)c(OC)c2C1 138128176 WZKVYXAFGPDIDY-NSHDSACASA-N 265.353 2.179 0 30 CEAC Cc1ccc2c(c1)C[C@H](N1CCN(C)CC1)[C@@H](C)C2 32266312 HXQWYDLQOIUDTJ-YOEHRIQHSA-N 258.409 2.346 0 30 CEAC O[C@@]1(C(F)(F)F)CC(c2cc3ccccc3o2)=NN1 171525 HXLGPNZPACDNQP-LLVKDONJSA-N 270.210 2.381 0 30 CEAC CC(C)(C)OC(=O)Nc1cc2c(cc1N)OCCO2 36736977 DCOQGLWEJXHIFS-UHFFFAOYSA-N 266.297 2.387 0 30 CEAC in-vitro COC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)c1ccccc1 234719716 AILIGXZHNJZCDT-HNNXBMFYSA-N 295.335 2.138 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](C(=O)O)C[C@H]21 96945991 IMBUDFWNIQKTNO-HBNTYKKESA-N 269.341 2.497 0 30 CEAC Nc1c(Br)cnn1-c1ccc(F)cc1 87418620 UUFXTYRUHMSPII-UHFFFAOYSA-N 256.078 2.356 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](N)C[C@H]2C1 250580155 AFDHNDBUQDWTBZ-SRVKXCTJSA-N 254.374 2.371 0 30 CEAC CC[C@H]1SC(N(C)/N=C/c2ccccc2)=NC1=O 3608292 OEXRYOWEDLZKPJ-ZECSTPGPSA-N 261.350 2.360 0 30 CEAC CC(C)(C)OC(=O)NC1(C(=O)O)[C@@H]2CCCC[C@H]21 2265360071 XMXMSNDXCPOWHB-RKDXNWHRSA-N 255.314 2.155 0 30 CEAC CC(C)(O)C(C)(C)OB(O)Cc1ccccc1Cl 2265362187 BCNFYAMFMRZICL-UHFFFAOYSA-N 270.565 2.468 0 30 CEAC NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 216713841 QOCQBJHQQKBBMA-DLBZAZTESA-N 280.371 2.388 0 30 CEAC CN(C[C@H](N)Cc1ccccc1)C(=O)OC(C)(C)C 116445642 RJMUEHMBOAVHHB-CYBMUJFWSA-N 264.369 2.423 0 30 CEAC COC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1O 261242036 WHAXDYIVOLWPSV-UHFFFAOYSA-N 281.308 2.204 0 30 CEAC CNC(=O)c1ccccc1[S@@](=O)c1ccccc1 5209219 LTCBCBVQNLHTDW-GOSISDBHSA-N 259.330 2.213 0 30 CEAC CC(C)(C)OC(=O)N[C@@]12CNC[C@@H]1[C@@H](C(F)(F)F)C2 2265384564 UFGBIBKFAZLCRD-RNSXUZJQSA-N 280.290 2.052 0 30 CEAC CC(C)(C)OC(=O)N1CCC(NC2CCC(N)CC2)CC1 51693936 ZMHMTTKEAQSYER-UHFFFAOYSA-N 297.443 2.245 0 30 CEAC COC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1 616582923 QMTLOAJQWMFBCE-AATRIKPKSA-N 252.266 2.421 0 30 CEAC COC(=O)[C@]12CCC[C@H]1C2(Br)Br 669371732 VSAIDJJPZOVCHN-VDTYLAMSSA-N 297.974 2.446 0 30 CEAC O=C(c1cn[nH]c1)c1cc(Br)ccc1O 32501323 CWYOORVQLQAGHD-UHFFFAOYSA-N 267.082 2.109 0 30 CEAC CCCOC(=O)[C@@H](N)Cc1cc(Cl)oc1Cl 2265385010 PFMQZSZQLUTJPM-ZETCQYMHSA-N 266.124 2.409 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2c3c(N)cccc3O[C@H]2C1 642882050 ZCKGEJNBYUHORO-CABZTGNLSA-N 276.336 2.364 0 30 CEAC O[C@H](CSc1nncn1-c1ccccc1)C(F)(F)F 1034424 FMERAVGIQJWMAH-SECBINFHSA-N 289.282 2.283 0 30 CEAC CCc1ccc2[nH]c(C(=O)N[C@H](C)COC)cc2c1 171567 TZSCBJHWWRMFRC-SNVBAGLBSA-N 260.337 2.495 0 30 CEAC O=C(O)c1cc(C(F)(F)F)nc(C(F)(F)F)n1 95764174 MDWBAKQWQRBSJC-UHFFFAOYSA-N 260.093 2.212 0 30 CEAC Cc1nn2cc(Cl)cnc2c1I 402859526 FVQVKXVBSHYYAY-UHFFFAOYSA-N 293.495 2.296 0 30 CEAC CCOC(=O)[C@H]1N=C(c2ccccc2)O[C@H]1C(F)(F)F 96347208 OBHTUWZHQZUAEN-VHSXEESVSA-N 287.237 2.326 0 30 CEAC O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c(Cl)cccc21 108491270 TVFGZWKEGBWVQO-CKYFFXLPSA-N 279.723 2.164 0 30 CEAC CC(C)(C)OC(=O)NCc1ccc(CC(=O)O)s1 59708789 DANSYVWBJWXLEJ-UHFFFAOYSA-N 271.338 2.400 0 30 CEAC C[C@H]1CN(C(=O)Nc2ccccc2C(=O)O)C[C@@H](C)O1 40530711 CVUIQLJNLKJSDU-AOOOYVTPSA-N 278.308 2.026 0 30 CEAC O=C(Oc1ccccc1N1CCOCC1)c1ccco1 153226 JOZHQTFKKWVLRJ-UHFFFAOYSA-N 273.288 2.335 0 30 CEAC CC(C)(C)OC(=O)NCc1cn2ccc(C(=O)O)cc2n1 2265347399 IGMNEVKYZMGTQX-UHFFFAOYSA-N 291.307 2.057 0 30 CEAC N[C@@H](C(=O)O)c1ccc(Cl)c(Br)c1 116924262 QLWNCGDGZWDVLB-SSDOTTSWSA-N 264.506 2.187 0 30 CEAC Cc1nsc(NC(=O)OC(C)(C)C)c1C(=O)O 37675442 OLQUWEXOEINFHM-UHFFFAOYSA-N 258.299 2.497 0 30 CEAC in-vitro Cc1ncc(C(=O)O)c(C(=O)O)c1OCc1ccccc1 39123720 PGAMYIUHFLOFRM-UHFFFAOYSA-N 287.271 2.365 0 30 CEAC in-vitro C[C@]12C[C@@H](O)[C@@H]3[C@H](C=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 2265352031 YKRSODWTTPYVQH-PTIGMLKUSA-N 290.403 2.460 0 30 CEAC CC[C@H](C)[C@H]1COCC(=O)N1C(=O)OC(C)(C)C 8197992 MPVMIOUSVTTYEW-VHSXEESVSA-N 257.330 2.195 0 30 CEAC in-vitro O=C(O)[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1F 37518249 SATTXAWNONVPLP-RNFRBKRXSA-N 257.648 2.138 0 30 CEAC COC(=O)c1ccc(N)c(NCc2cscn2)c1 213077906 VEFTTWVORFQWEH-UHFFFAOYSA-N 263.322 2.124 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2CCC[C@H]1[C@@H]2C(=O)O 616582253 KMCBKRYBWQPIIY-KXUCPTDWSA-N 255.314 2.107 0 30 CEAC O=C1CCC(=O)N1CNc1ccc(OC(F)(F)F)cc1 128856 ITAYPCAVQLEPKY-UHFFFAOYSA-N 288.225 2.104 0 30 CEAC NC(=O)c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 129858 KIEDNRRIDZUXSD-UHFFFAOYSA-O 282.150 2.428 0 30 CEAC CC(C)(C)OC(=O)N[C@@]1(c2ccccc2)CCNC1 115079440 QELMUWDFAGEENM-HNNXBMFYSA-N 262.353 2.400 0 30 CEAC O=C(O)[C@]1(Cc2cccc(Br)c2)CCOC1 54634218 GDDKJOTURTWOQD-LBPRGKRZSA-N 285.137 2.483 0 30 CEAC O=C(Nc1ccc(F)c(F)c1F)c1cnccn1 69715 VLPAIYYHGHJFQI-UHFFFAOYSA-N 253.183 2.146 0 30 CEAC O[C@H](c1ccc(N2CCOCC2)cc1)C(F)(F)F 3643440 XYMJLTSIWLKJAR-LLVKDONJSA-N 261.243 2.119 0 30 CEAC CCOc1cc2[nH]c(=NC(=O)CC)[nH]c2cc1OCC 13209300 ZMWHYLBPHFEKTA-UHFFFAOYSA-N 277.324 2.131 0 30 CEAC CON(C)C(=O)Cc1cccc(Br)c1 82367166 AOOJWNSUDADQIF-UHFFFAOYSA-N 258.115 2.011 0 30 CEAC COc1ccc(-c2c(C)nn(C)c2C)c(C(=O)O)c1 5212038 TUKQPRWMZYZWIM-UHFFFAOYSA-N 260.293 2.411 0 30 CEAC C[C@H]1CN1C(=O)CCCCCCCC(=O)N1C[C@H]1C 31494521 ACWZISJYAYAEPT-ZPVISIIKSA-N 266.385 2.179 0 30 CEAC COc1ccccc1N1CCN([C@H]2CCCC[C@H]2N)CC1 20260422 DENFVEMFMCOMOW-CABCVRRESA-N 289.423 2.087 0 30 CEAC O[C@]1(c2cccc(Br)c2)CCCOC1 257857385 BYOWBQOLTURBAF-LLVKDONJSA-N 257.127 2.447 0 30 CEAC NC[C@H](CC(=O)O)c1ccc(Br)s1 13823770 AGSZIPFOQSAPON-YFKPBYRVSA-N 264.144 2.028 0 30 CEAC in-vivo COc1ccccc1N1CCN([C@H]2CCCC[C@@H]2N)CC1 20260418 DENFVEMFMCOMOW-GJZGRUSLSA-N 289.423 2.087 0 30 CEAC CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccccc13)C2 100054819 GHVQAOGYNZNTIA-CLLJXQQHSA-N 298.390 2.308 0 30 CEAC world CCOC(=O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 102072259 NESNGXUQCAJWNN-OUAUKWLOSA-N 269.341 2.338 0 30 CEAC in-vitro O=C1C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 13683129 MCRWFXGWJMDFON-UHFFFAOYSA-N 265.268 2.052 0 30 CEAC in-vivo COc1cc(I)c(C=O)cc1OC 34601144 SPKQIKMTTNYPHW-UHFFFAOYSA-N 292.072 2.121 0 30 CEAC CCCc1cc(S(=O)(=O)O)c2ncccc2c1 39140500 YERYEYNEWJUNPO-UHFFFAOYSA-N 251.307 2.434 0 30 CEAC CCCOc1cc(C(=O)N(C)C)nn1-c1ccccc1 33825082 JIXDQOGBKZMWHQ-UHFFFAOYSA-N 273.336 2.363 0 30 CEAC O=C(Nc1cccc(Br)n1)[C@@H]1CCCOC1 54768800 HTUIOTSOTHXIIW-MRVPVSSYSA-N 285.141 2.209 0 30 CEAC in-vitro CCOC(=O)[C@H]1Cc2cccc(Br)c2C1=O 309106655 AZZAWEGBMPMWLJ-QMMMGPOBSA-N 283.121 2.367 0 30 CEAC CC(=O)C(Cl)(Br)Br 13449981 DKJGWIKRAGVVKN-UHFFFAOYSA-N 250.317 2.258 0 30 CEAC endogenous,in-man C[C@@H](N)c1ccc(Br)cc1OCCCO 132050705 BSLSIYITSJPYPE-MRVPVSSYSA-N 274.158 2.230 0 30 CEAC COC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C 1854877 OMBOXYLBBHNWHL-GBJTYRQASA-N 259.349 2.426 0 30 CEAC CCn1ccnc1CNCc1ccc(-n2ccnc2)cc1 385444942 IDQBDPGWYZYTJF-UHFFFAOYSA-N 281.363 2.379 0 30 CEAC Cc1ccc2c(c1)C(=O)[C@@](O)(c1ccccc1)C(=O)N2 173547 WUVHWSVYRHVRET-INIZCTEOSA-N 267.284 2.018 0 30 CEAC O=c1ncc2cc(Br)cc(Cl)c2[nH]1 98179757 CZLTZYCWDSNHJR-UHFFFAOYSA-N 259.490 2.339 0 30 CEAC O=C(O)CCCNC(=S)Nc1ccc(F)cc1F 4376455 XAFZVHCXNANPPV-UHFFFAOYSA-N 274.292 2.116 0 30 CEAC O[C@H]1CN=C(Cc2ccccc2)c2ccccc2OC1 5850122 KOORYNGOSOVRCA-AWEZNQCLSA-N 267.328 2.472 0 30 CEAC CCOC(=O)CN1N=C(C=Cc2ccccc2)CCC1=O 2265276215 VTNLYPOKKISRJJ-UHFFFAOYSA-N 286.331 2.241 0 30 CEAC NCc1cc(I)c(F)cc1F 98095785 GXAFODQBISARRZ-UHFFFAOYSA-N 269.032 2.028 0 30 CEAC O=S(=O)(Nc1ccc2nsnc2c1)c1ccccc1 12340909 JIFDBSBBZORQMF-UHFFFAOYSA-N 291.357 2.492 0 30 CEAC CC(=O)c1ccc(I)c(O)c1 299890102 UHNGAJZORXFWNC-UHFFFAOYSA-N 262.046 2.199 0 30 CEAC CC(=O)[C@H]1[C@@H]2[C@@H](O)[C@@H](C(C)C)CC[C@@]2(C)C[C@H]1O 252265570 NQHGSTTYLUUHTC-MBIARJLFSA-N 254.370 2.006 0 30 CEAC C[C@H]1CN1C(=O)CCCCCCCC(=O)N1C[C@@H]1C 6037847 ACWZISJYAYAEPT-SCQRFTTHSA-N 266.385 2.179 0 30 CEAC CCOC(=O)N1CCC[C@](OC)(c2ccccc2)C1=O 5856158 SYCBZOVZEXSPEZ-HNNXBMFYSA-N 277.320 2.307 0 30 CEAC C[C@H]1C[C@@H](N2N=C(c3ccccc3)CC2=O)[C@H](C)CN1C 33639272 JREBIAFWXAAHMJ-DVOMOZLQSA-N 285.391 2.352 0 30 CEAC O=C(O)c1cccc(C(=O)c2ccccc2)c1C(=O)O 59695055 KTFJPMPXSYUEIP-UHFFFAOYSA-N 270.240 2.314 0 30 CEAC CC(C)(C)OC(=O)N1CCC(N2CCC[C@H](CO)C2)CC1 90728185 GAZKWALREOBSLR-ZDUSSCGKSA-N 298.427 2.090 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@]2(C=C(C(=O)O)C2)C1 2265385226 TUUMXKKXTFBZMS-CYBMUJFWSA-N 253.298 2.028 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](N)C[C@@H]2C1 76695215 AFDHNDBUQDWTBZ-QJPTWQEYSA-N 254.374 2.371 0 30 CEAC COc1cc(CCN)cc(OC)c1OCC1CCC1 88135189 BALWWVULLYBZPI-UHFFFAOYSA-N 265.353 2.384 0 30 CEAC Nn1c(C=Cc2ccccc2)nc2ccccc2c1=O 2265279713 YSNCTXWZROITGW-UHFFFAOYSA-N 263.300 2.281 0 30 CEAC O=C(O)CCCC(=O)Nc1ccc(OC(F)F)cc1 156465 OLRSSDLWFYGXBO-UHFFFAOYSA-N 273.235 2.481 0 30 CEAC O=C1CSCC(=O)N1c1ccc(Br)cc1 100868 LIRXGOOJXOIIBY-UHFFFAOYSA-N 286.150 2.056 0 30 CEAC CC[C@H](C)OC(=O)[C@H]1CCCCN1C(=O)C(F)(F)F 32221328 WPEYTXDPQFFBSD-DTWKUNHWSA-N 281.274 2.272 0 30 CEAC COc1ccc(OC)c([C@H]2N[C@@H](C(=O)O)C(C)(C)S2)c1 4300932 BENWLDALGAZKCJ-RYUDHWBXSA-N 297.376 2.271 0 30 CEAC CN1CCc2c3n(c4c(O)cccc24)C(=O)CC[C@H]31 32249928 ICFMTTBSNDFISA-LLVKDONJSA-N 256.305 2.310 0 30 CEAC CCNC[C@H](O)c1cccc(OC(=O)C(C)(C)C)c1 5853120 DRMHNJGOEAYOIZ-ZDUSSCGKSA-N 265.353 2.281 0 30 CEAC in-man O=C1c2ccncc2C(=O)N1c1ccc(F)cc1F 102058 SXIBDVBTZFEPKZ-UHFFFAOYSA-N 260.199 2.160 0 30 CEAC CCOC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 38613726 GWRCTWAPTXBPHW-JHJVBQTASA-N 269.385 2.374 0 30 CEAC endogenous,in-man C[C@@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCNCC1 206419862 VODMJCLCTFUITG-RISCZKNCSA-N 260.337 2.320 0 30 CEAC Cc1nn(C)c(C)c1NC(=O)c1cccc2nsnc12 12340984 XYQMBTLTGIIKRM-UHFFFAOYSA-N 287.348 2.294 0 30 CEAC O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 957719813 QHSARIJIZBWQFH-JKSUJKDBSA-N 293.322 2.292 0 30 CEAC NC[C@@H](O)CN1c2ccccc2CCc2ccccc21 205418979 XZTCYBAYZQEMFQ-OAHLLOKOSA-N 268.360 2.243 0 30 CEAC O=C(O)C[C@H](NC(=O)OCc1ccccc1)C1CC1 2512000 KTNFIIVAHZGIKA-LBPRGKRZSA-N 263.293 2.166 0 30 CEAC O=C1O[C@H](CO)CN1c1cccc(C(F)(F)F)c1 3627886 DOFPEWKUHZUFJE-VIFPVBQESA-N 261.199 2.023 0 30 CEAC CCOC(=O)C(=O)CC(=O)c1ccc(Cl)c(C)c1 139155056 BPGRNTQHHZWJSZ-UHFFFAOYSA-N 268.696 2.353 0 30 CEAC C[C@@H](CN(C)C)[C@H](C)OC(=O)c1ccc(N)cc1 2040223 MTNXJJYHFCSXCP-QWRGUYRKSA-N 250.342 2.012 0 30 CEAC COC(=O)c1nn(-c2ccccc2)c(Cl)c1C=NO 254430085 OIJSXSHKPYVMHY-UHFFFAOYSA-N 279.683 2.120 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](N)CCC[C@H]2C1 307067045 VIKVXDCBECSADD-SDDRHHMPSA-N 254.374 2.371 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@H]1[C@@H]1CCCO1 675050168 HWTMBDBUCGZZJF-SRVKXCTJSA-N 299.367 2.266 0 30 CEAC CSc1nc(N)n2nc(-c3cccs3)cc2n1 95807 NGFYBHFJAUURFA-UHFFFAOYSA-N 263.351 2.157 0 30 CEAC CC[C@H](C)[C@@](C)(COC(N)=O)COC(=O)NC(C)C 1999414 CBDPCXYQNVDTMW-GWCFXTLKSA-N 274.361 2.269 0 30 CEAC in-man CSc1sc(C(=O)O)cc1S(=O)(=O)C(C)C 126072 OATXOBSLQGHDOW-UHFFFAOYSA-N 280.392 2.350 0 30 CEAC C[C@H]1C[C@H]2O[C@H]2C[C@H]1C(=O)OC[C@H]1C[C@H]2O[C@H]2C[C@H]1C 16892867 GRWFFFOEIHGUBG-HWNZFDGBSA-N 280.364 2.157 0 30 CEAC in-vitro O=C(OCc1ccccc1)N1CC[C@@H]2NCCC[C@@H]2C1 306174963 MNVMONKUQOPRJD-CABCVRRESA-N 274.364 2.397 0 30 CEAC CNc1ccccc1[C@H](O)CNC(=O)OC(C)(C)C 2265364211 FZTNCBUTMSROMT-GFCCVEGCSA-N 266.341 2.286 0 30 CEAC CC(C)(C)OC(=O)N1CCC(c2cc(CO)on2)CC1 309796409 QGNMMNAWJDVMDR-UHFFFAOYSA-N 282.340 2.281 0 30 CEAC COc1cc(NC(=O)CC(C)=O)c(Cl)cc1NC(C)=O 33607706 AEHKSCQHBUCHTF-UHFFFAOYSA-N 298.726 2.225 0 30 CEAC COC(=O)C(=CNc1ccc(F)c(Cl)c1)n1cncn1 2265270023 YFOOAWJNUMXCCI-UHFFFAOYSA-N 296.689 2.154 0 30 CEAC Cc1nc(C2CC2)ncc1I 307216937 FRMHDGDJRLRBPA-UHFFFAOYSA-N 260.078 2.267 0 30 CEAC CNCC[C@@]1(c2ccc(OC)c(OC)c2)C=C[C@H](O)CC1 85953281 RPZQWNSMMCKOSH-WMLDXEAASA-N 291.391 2.262 0 30 CEAC NC(=O)N1C2=CC=CCC2=C(CO)c2ccccc21 6117052 UMRKOEWAECPINL-UHFFFAOYSA-N 254.289 2.175 0 30 CEAC CCOC(=O)[C@@H]1N=C(c2ccccc2)O[C@H]1C(F)(F)F 96347209 OBHTUWZHQZUAEN-NXEZZACHSA-N 287.237 2.326 0 30 CEAC C[Si](C)(C)/C(I)=C/CO 195499570 GQJOQGBLWIODJQ-GQCTYLIASA-N 256.159 2.175 0 30 CEAC COc1cc(C=O)ccc1OCC(=O)OC(C)(C)C 10157939 IPUMPFSVDVRBSX-UHFFFAOYSA-N 266.293 2.228 0 30 CEAC COC(=O)[C@@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]2C=C[C@H]1C2 100211578 XSLQHUFDALMSHE-IMIFBBOLSA-N 271.316 2.236 0 30 CEAC CCOC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1 34520088 IVNUBOCYWQLYLA-UHFFFAOYSA-N 255.314 2.117 0 30 CEAC COC(=O)[C@H](N)c1ccc(F)c(C(F)(F)F)c1 95639736 PHQJJUUWHYPWGD-MRVPVSSYSA-N 251.179 2.017 0 30 CEAC CC(C)OC(=O)CCCc1nc2cc(N)ccc2n1C 117789836 WNNXAWPAXNZYEF-UHFFFAOYSA-N 275.352 2.430 0 30 CEAC Brc1nnc([C@@H]2C[C@H]3CC[C@H]2O3)s1 306775156 WMZJYDUZEUPTHH-HSUXUTPPSA-N 261.144 2.336 0 30 CEAC CNC(=O)c1cc(Br)c(Cl)cc1N 238336797 HPZYNJBCTHNRCZ-UHFFFAOYSA-N 263.522 2.044 0 30 CEAC COC(=O)c1ccc(N)c(NCc2nccs2)c1 212007681 LJILRTBOQWRXCH-UHFFFAOYSA-N 263.322 2.124 0 30 CEAC COc1cc(O)cc(I)c1 79019689 BQTFENWNALFGJM-UHFFFAOYSA-N 250.035 2.005 0 30 CEAC CN1C(=O)SC(=Cc2ccc3c(c2)OCO3)C1=O 2265279197 GRZZSBYOBQEXGB-UHFFFAOYSA-N 263.274 2.081 0 30 CEAC O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCCCNC1=O 141605 KGIGQKCLQJAGTK-LLVKDONJSA-N 281.743 2.130 0 30 CEAC COc1ccc(N2C(=O)[C@H](O)[C@H]2c2ccccc2)cc1 6484368 FTOHXQPVCMMHRO-HUUCEWRRSA-N 269.300 2.144 0 30 CEAC in-vitro O=C(O)CSC(=S)Nc1cccc([N+](=O)[O-])c1 1855843 KGUPONUIXXUQJS-UHFFFAOYSA-N 272.307 2.109 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H]1C(=O)Nc2ccc(F)cc21 100183948 NBNWLFYTZFDMRS-JTQLQIEISA-N 280.299 2.386 0 30 CEAC CC(C)(C)OC(=O)NC[C@]1(C(=O)O)CC12CCC2 725343447 RJBRSHOXDYPAMA-ZDUSSCGKSA-N 255.314 2.156 0 30 CEAC CC(C)(O)C(C)(C)OB(O)/C=C/c1ccc(F)cc1 222244851 LSQWSJQKRRXAHG-MDZDMXLPSA-N 266.121 2.425 0 30 CEAC CC(C)Oc1ccc(C(=S)NCCN(C)C)cc1 3624001 SJOWXANUFZIHGY-UHFFFAOYSA-N 266.410 2.301 0 30 CEAC COC(=O)CCc1ccc(Br)cc1O 238356721 DQMADVOYNBVNEB-UHFFFAOYSA-N 259.099 2.260 0 30 CEAC CC(C)(C)OC(=O)NCc1ncc(F)c(Cl)n1 238178918 CDNUPLTUOZXOIX-UHFFFAOYSA-N 261.684 2.294 0 30 CEAC CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)CC12CCC2 725343446 RJBRSHOXDYPAMA-CYBMUJFWSA-N 255.314 2.156 0 30 CEAC Cc1nc(COc2ccccc2)[nH]c(=O)c1Cl 13469773 RYURWIVORFLFFU-UHFFFAOYSA-N 250.685 2.311 0 30 CEAC O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 140269138 OMSAXGBLDRPUIP-VIFPVBQESA-N 291.225 2.318 0 30 CEAC CCN(CC)CCOc1ccc(C(=O)OC)cc1 2026560 OCHYTARYRUQPFW-UHFFFAOYSA-N 251.326 2.194 0 30 CEAC O=C(O)[C@@H]1CCO[C@H]1c1cnn(-c2ccccc2F)c1 407987074 YMMKNFMTCXHMIM-MFKMUULPSA-N 276.267 2.174 0 30 CEAC CC(C)(C)OC(=O)N[C@](C)(COc1ccccc1)C(=O)O 699391941 SMBUAVXMUIDAJO-OAHLLOKOSA-N 295.335 2.433 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@]2(C(=O)O)C1 2265378615 IXSXGCYECFJHSJ-RNCFNFMXSA-N 255.314 2.108 0 30 CEAC Cc1nc2ccccn2c1C(=O)Nc1cccnc1 928594 QXFPVZLIOPMWOG-UHFFFAOYSA-N 252.277 2.290 0 30 CEAC Cc1ccc(C)c(OCCCCCNCCO)c1 2380029 RVHTWLYXHQEGHW-UHFFFAOYSA-N 251.370 2.434 0 30 CEAC FC(F)(F)C[C@@H]1CN(Cc2ccccc2)CCN1 215684406 BOTLGUSCALHYGW-GFCCVEGCSA-N 258.287 2.413 0 30 CEAC O=C(NC[C@H](O)c1ccccc1)Nc1ccc2c(c1)CCO2 152424 YFGMTXHMNSHPOQ-HNNXBMFYSA-N 298.342 2.477 0 30 CEAC NC(=O)c1sc2c(Br)cccc2c1N 139672242 MZINLYCMHKMJSF-UHFFFAOYSA-N 271.139 2.345 0 30 CEAC Cc1nnsc1C(=O)NCCc1c[nH]c2ccccc12 139515 ZVLHQWWQAYNZDU-UHFFFAOYSA-N 286.360 2.300 0 30 CEAC O=C1CCC(=O)N1CNc1ccc(C(F)(F)F)cc1 138571 WPEMSFINJIKZQB-UHFFFAOYSA-N 272.226 2.224 0 30 CEAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(F)(CN)C2 585672849 JDQNWZLUUAPELM-UWVGGRQHSA-N 258.337 2.215 0 30 CEAC O=S(=O)(Nc1nnc(C2CC2)s1)c1ccccc1 155107 HCPCPTFKOFFNHU-UHFFFAOYSA-N 281.362 2.216 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@]2(CN)C[C@@]2(C(F)(F)F)C1 757122008 MWAGAHJGQJBCDH-WDEREUQCSA-N 280.290 2.135 0 30 CEAC Cc1cn2cc(I)ccc2n1 89201650 VVEMUZHHSSDWPO-UHFFFAOYSA-N 258.062 2.247 0 30 CEAC CCOC(=O)c1ccc(Cc2cnc(N)s2)cc1 26476680 LLUFBIFGXAUAKG-UHFFFAOYSA-N 262.334 2.493 0 30 CEAC O=C1CS[C@H](c2cccnc2)N1CCc1ccccn1 99741 CGLSDQGDMOOIGN-OAHLLOKOSA-N 285.372 2.293 0 30 CEAC NCc1ccc(-n2cnc3cc(C(=O)O)ccc32)cc1 75936167 QJSOLUQEGWYZKL-UHFFFAOYSA-N 267.288 2.182 0 30 CEAC CCCN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1=O 95883874 PZIHZFOSOMBJBG-UHFFFAOYSA-N 270.373 2.254 0 30 CEAC Cc1sc2nc(C(=O)O)[nH]c(=O)c2c1CC(C)C 2182 DDSODBSUICDXHU-UHFFFAOYSA-N 266.322 2.190 0 30 CEAC in-man CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H](N)C1 238148015 WXWZOYRCBXCPMU-ZDUSSCGKSA-N 262.353 2.480 0 30 CEAC COc1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)C(=O)N2 98181550 GUAMVKPPVAZNIE-LLVKDONJSA-N 292.335 2.256 0 30 CEAC CN(CC(F)(F)F)c1ncc(Br)cc1CO 50043056 PSVQVHGNVXTFJP-UHFFFAOYSA-N 299.090 2.335 0 30 CEAC C[C@H](C[Sn](C)(C)C)[C@@H](C)O 195775936 UTCNFNFJDKDEIR-SJPYGQFYSA-N 250.958 2.342 0 30 CEAC CC(=O)c1c(O)nc2ccc(Br)nc2c1O 701677882 VHAISUZPXWSSBT-UHFFFAOYSA-N 283.081 2.006 0 30 CEAC COc1ccc(-c2noc(O)n2)cc1Br 38052489 PPOOXLPDIVNENI-UHFFFAOYSA-N 271.070 2.213 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CC(=O)Nc2ccccc2C1 83747574 JWEGFNFVTHGYLT-UHFFFAOYSA-N 262.309 2.376 0 30 CEAC Cc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)O 407986743 GIJJCJWKEQFUJD-BXUZGUMPSA-N 272.304 2.343 0 30 CEAC CN1CCN(CC(O)(c2ccccc2)c2ccccc2)CC1 22861777 BNYKNAMROLCQRS-UHFFFAOYSA-N 296.414 2.170 0 30 CEAC CC(C)(C)OC(=O)N1CCCCC[C@H]1C1CNC1 307646808 BXSICPVDPAXVJE-LBPRGKRZSA-N 254.374 2.386 0 30 CEAC NCc1c(F)c(F)c(Br)c(F)c1F 44248629 RHATXBXVRLKIMV-UHFFFAOYSA-N 258.012 2.464 0 30 CEAC CON=C[C@H](C(C)=O)C(=O)Nc1ccc(Cl)cc1 254876485 NHPGTBIRYPVTHX-LLVKDONJSA-N 268.700 2.116 0 30 CEAC CN(C)C(=O)c1cc(Br)cc2c1OCC2 169144 DCMGXAFBBGHVSJ-UHFFFAOYSA-N 270.126 2.086 0 30 CEAC O=C(Nc1c[nH]nc1[C@@H]1CCCNC1)c1ccccc1 95829515 JIXWHJAPBQZCIW-GFCCVEGCSA-N 270.336 2.129 0 30 CEAC CC(C)(C)OC(=O)NC[C@H](CO)c1ccc(F)cc1 140581074 XFLCSUFZDRUSSK-LLVKDONJSA-N 269.316 2.426 0 30 CEAC C[C@@H]1CO[C@@](Cn2cncn2)(c2cc3ccccc3o2)O1 33877897 PIIXAPHXKDVYRY-IAQYHMDHSA-N 285.303 2.313 0 30 CEAC C[Si](C)(C)c1cc(C(=O)O)cc([Si](C)(C)C)c1 197144475 GPMGOOOEIGPKGS-UHFFFAOYSA-N 266.489 2.475 0 30 CEAC CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccc(O)cc1 220462974 FBURVBYIKWKMBF-ZDUSSCGKSA-N 292.379 2.144 0 30 CEAC CCOC(=O)c1cc(N)c(F)cc1Br 61089407 ZAWOVLFMIMWYRS-UHFFFAOYSA-N 262.078 2.347 0 30 CEAC Cn1c(Cl)nc2ccc(Br)cc2c1=O 129281307 RQXHWZPREUAPKS-UHFFFAOYSA-N 273.517 2.349 0 30 CEAC CCOC(=O)c1csc(-c2snnc2C)n1 109184 SZAFDYDKFPVNTO-UHFFFAOYSA-N 255.324 2.147 0 30 CEAC O[C@H](CNCCc1ccc(Cl)cc1)C(F)(F)F 68879506 XQGUGABJTYSZHY-SNVBAGLBSA-N 267.678 2.395 0 30 CEAC in-vitro CN1[C@H]2CC[C@H]1CC(OC(=O)Cc1ccccc1)C2 101106764 DCINQANYMBYYCH-KBPBESRZSA-N 259.349 2.398 0 30 CEAC in-vitro O=C(O)c1cc2cc(Br)ccc2c(=O)o1 125278925 IRPHPGXWDJFRIP-UHFFFAOYSA-N 269.050 2.254 0 30 CEAC COC(=O)C[C@H](N)c1ccc(OC)c(Br)c1 38052373 IYVWGBFPKXXSJG-VIFPVBQESA-N 288.141 2.021 0 30 CEAC COC(=O)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C 142295991 UFYRDASLXGMTFP-UHFFFAOYSA-N 253.298 2.373 0 30 CEAC CON(C)C(=O)CCCN(C)C(=O)OCc1ccccc1 585138982 JHNBCKVKHSOVAA-UHFFFAOYSA-N 294.351 2.055 0 30 CEAC COc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 4006573 ZOXKNVCXIKCYPF-PJQZNRQZSA-N 287.315 2.157 0 30 CEAC NC(=S)[C@@H](NC(=O)c1ccccc1)c1ccccc1 40452024 IFZHNJJPBSKUJB-ZDUSSCGKSA-N 270.357 2.444 0 30 CEAC COC(CNCc1cc(Br)ccc1F)OC 37388329 LXUDGWTUTDNEDQ-UHFFFAOYSA-N 292.148 2.297 0 30 CEAC in-vitro O=C(O)C=CC(=O)Nc1cccc(Br)c1 12368490 ACABGZCLDYKQMC-UHFFFAOYSA-N 270.082 2.028 0 30 CEAC COC(=O)CSc1ccc(O[C@@H](C)CN(C)C)cc1 205051484 KPQRCTMFQNPZIQ-NSHDSACASA-N 283.393 2.281 0 30 CEAC Cc1nc(-c2ccccn2)nc(N2CCOCC2)c1Cl 66611 UYVGXGWXFNSCNB-UHFFFAOYSA-N 290.754 2.337 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](CC1CCSCC1)C(=O)O 4284231 UFFZYQPOZQWLBC-JTQLQIEISA-N 289.397 2.498 0 30 CEAC CC(C)(C)OC(=O)N1CCN([C@@H]2CCCCC2=O)CC1 49879676 WPTDGLONFNMPDM-GFCCVEGCSA-N 282.384 2.051 0 30 CEAC COc1nc(-c2ccccc2)c(-c2ccccc2)n[n+]1[O-] 32205514 ZUONFFBJIATAPN-UHFFFAOYSA-N 279.299 2.453 0 30 CEAC O=C(Nc1ccc(Br)cc1)[C@@H]1CCCNC1 12957288 DZJJDGDAVXYXJX-SECBINFHSA-N 283.169 2.387 0 30 CEAC O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(F)c(F)c1 100237670 KUEKSEKKGSRTFY-QQXRRDQMSA-N 275.254 2.276 0 30 CEAC NC(=O)c1c(Cl)c(Cl)cc(C(=O)O)c1Cl 146540362 XKFUETYLBPYNKF-UHFFFAOYSA-N 268.483 2.444 0 30 CEAC COc1cc2c(cc1OC)[C@H](O)[C@]1(CCCCN1)CC2 146589040 MCAJBTMDTTZXLB-HOTGVXAUSA-N 277.364 2.196 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C(=O)O)C[C@H]21 250588212 IMBUDFWNIQKTNO-GARJFASQSA-N 269.341 2.497 0 30 CEAC O=C1NCC(=O)N(Cc2ccccc2)C1=Cc1ccccc1 1389695 JJCAIOAPURTFJY-UHFFFAOYSA-N 292.338 2.186 0 30 CEAC N[C@H](Cc1ccc(SC(F)(F)F)cc1)C(=O)O 19473412 VUQLYNOIWQJJOW-MRVPVSSYSA-N 265.256 2.253 0 30 CEAC CC(C)(C)OC(=O)Nc1ccc(S(C)(=O)=O)s1 2265385112 CILAGAHJQSOHPX-UHFFFAOYSA-N 277.367 2.499 0 30 CEAC CC(C)(C)OC(=O)N1CCN(c2cnnc(Cl)c2)CC1 238097481 MSWSXIGNXYNMAI-UHFFFAOYSA-N 298.774 2.187 0 30 CEAC CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCNC1 98209702 BYKFRZRXLHWLPJ-ZDUSSCGKSA-N 298.390 2.089 0 30 CEAC CC(C)(C)OC(=O)N1CCC(CN2CCC[C@H](O)C2)CC1 95929888 MVSIANBLKSWEGR-AWEZNQCLSA-N 298.427 2.090 0 30 CEAC CCC[C@H]1CC=CC[C@]12C(=O)NC(=S)N=C2O 33855408 PCBBKKQNUZLXFS-QMMMGPOBSA-N 252.339 2.110 0 30 CEAC CCOC(=O)[C@@H]1CCC(=O)[C@H](C(F)(F)F)CC1 685945556 GCKIRGYKIRZEEG-JGVFFNPUSA-N 252.232 2.487 0 30 CEAC CC[C@H](C)[C@](C)(COC(N)=O)COC(=O)NC(C)C 1999416 CBDPCXYQNVDTMW-GXFFZTMASA-N 274.361 2.269 0 30 CEAC in-man COC(=O)c1ccsc1N1C(=O)c2ccccc2C1=O 115944 PFOMIYXWRATZJB-UHFFFAOYSA-N 287.296 2.335 0 30 CEAC CCOC(=O)[C@@](O)(c1ccc(F)cc1)C(F)(F)F 34429535 MASBOSORSRWAOS-JTQLQIEISA-N 266.190 2.139 0 30 CEAC CC(=O)CSCC(=O)Nc1ccc(F)cc1F 166676 DMFYDXVXXXFYON-UHFFFAOYSA-N 259.277 2.226 0 30 CEAC Cc1ccc(C(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 41702105 XQSHVUSGAKRWTR-VOAKCMCISA-N 260.289 2.056 0 30 CEAC Brc1nnc([C@H]2C[C@H]3CC[C@H]2O3)s1 306775157 WMZJYDUZEUPTHH-NGJCXOISSA-N 261.144 2.336 0 30 CEAC Fc1ccc(Cl)c(I)n1 306620534 XEQFHSPLQVGZNK-UHFFFAOYSA-N 257.433 2.479 0 30 CEAC O=C(O)CCOC1CCN(Cc2ccccc2)CC1 82666435 NTMRCMYIPVNXCS-UHFFFAOYSA-N 263.337 2.142 0 30 CEAC COC(=O)[C@@]1(F)CCN([C@H](C)c2ccccc2)C1 95348224 AQVQMPFPMLZLHT-BXUZGUMPSA-N 251.301 2.335 0 30 CEAC in-vitro CCCC[C@H](CC)CO[P@](=O)(O)OCCO 33609451 VCSZVNWYOBIYIV-JTQLQIEISA-N 254.263 2.329 0 30 CEAC NS(=O)(=O)c1sc(Cl)nc1-c1ccccc1 958692719 FARRYIZPKASCOE-UHFFFAOYSA-N 274.754 2.111 0 30 CEAC CCN(CC)CCCOC(=O)c1ccc(N)cc1 1610522 IGYSCUBTDYKFBB-UHFFFAOYSA-N 250.342 2.158 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](N)CC[C@@H]2C1 96897182 ZJOCZWZSGVQGDF-IJLUTSLNSA-N 254.374 2.371 0 30 CEAC O=C(O)CCCC(=O)NCCc1c[nH]c2ccccc12 2158959 ADNUGOGDMFDOTO-UHFFFAOYSA-N 274.320 2.082 0 30 CEAC CC1(C)OCCn2c1nc1c(Cl)nc(Cl)nc12 218804848 PGIQVXSIWIPFGQ-UHFFFAOYSA-N 273.123 2.398 0 30 CEAC O=C(c1ccccc1)N1CCC(Nc2ncccn2)CC1 72232964 JNBCPYVPEPWSTC-UHFFFAOYSA-N 282.347 2.193 0 30 CEAC C[C@H](O)CN1CN=C(SCc2ccc(Cl)cc2)NC1 144945 IHHXGMULTGRQKF-JTQLQIEISA-N 299.827 2.130 0 30 CEAC Oc1cc(Br)cc([C@H]2CCCNC2)n1 1775937648 MBTFCQSTLVUPPY-ZETCQYMHSA-N 257.131 2.017 0 30 CEAC CC(=O)OC[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2[C@H]1COC(C)=O 263589286 HUYMSHFTYVVGSK-WGGGBPLMSA-N 280.364 2.411 0 30 CEAC COC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 82894 GINDALYHICMUNF-UHFFFAOYSA-N 264.228 2.440 0 30 CEAC Cc1cc(-c2nc(C)c(-c3nnc(S)n3C)s2)no1 124134 IJHGXEJJKIWGLF-UHFFFAOYSA-N 293.377 2.499 0 30 CEAC NC(=O)C1=CN(Cc2ccccc2)CC[C@H]1C(F)(F)F 127034 OQTAODSMYJTQLI-GFCCVEGCSA-N 284.281 2.440 0 30 CEAC c1ccc(CN2CCC(OC3CCNCC3)CC2)cc1 396156619 HRHVRDOAPZHVCT-UHFFFAOYSA-N 274.408 2.420 0 30 CEAC O[C@@H]1CN=C(Cc2ccccc2)c2ccccc2OC1 5850129 KOORYNGOSOVRCA-CQSZACIVSA-N 267.328 2.472 0 30 CEAC CC(C)(C)OC(=O)N1[C@@H](CO)CC[C@H]2[C@@H]1C2(F)F 2265385391 QZZOLDWDWBEHAR-HRDYMLBCSA-N 263.284 2.012 0 30 CEAC CCOC(=O)[C@@H](O)c1ccc(OC)c(Br)c1 50976004 ZUSFPYSSNMCSOL-JTQLQIEISA-N 289.125 2.054 0 30 CEAC in-vitro O=C1Nc2ccc(Br)cc2N2CCC[C@H]12 86158665 OXWUVWWEFWTUFB-SECBINFHSA-N 267.126 2.370 0 30 CEAC CCOC(=O)c1c(O)cc(=O)n(-c2ccccc2)c1C 199646776 FEAZTYYHDRWRFE-UHFFFAOYSA-N 273.288 2.028 0 30 CEAC C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccccn1 21297151 DEATWDKGUIVGIH-VIFPVBQESA-N 266.297 2.296 0 30 CEAC COC(=O)c1ccc2nc[nH]c2c1Br 306716736 GJVLYQYSFCCMBE-UHFFFAOYSA-N 255.071 2.112 0 30 CEAC CCOC(=O)CC(=O)c1ccc(OC)cc1Cl 95082064 OYFMBFWBWVAOGI-UHFFFAOYSA-N 256.685 2.485 0 30 CEAC OC1(Cc2ccc(OC(F)(F)F)cc2)CCNCC1 87166258 YBWKLNVBFPZYGD-UHFFFAOYSA-N 275.270 2.242 0 30 CEAC in-vitro CC(C)(O)c1cc(C(C)(C)O)cc(C(C)(C)O)c1 5440177 FMCWGKXGRNQNLD-UHFFFAOYSA-N 252.354 2.369 0 30 CEAC COCc1cc(=O)[nH]c(COc2ccc(Cl)cc2)n1 13469452 VGBCGJQUOVFKLY-UHFFFAOYSA-N 280.711 2.149 0 30 CEAC Cc1c(NC(=O)N(C)C)cccc1NC(=O)N(C)C 34742153 NEVYNAFJLYYHPR-UHFFFAOYSA-N 264.329 2.182 0 30 CEAC O=C(CSC1=NCCS1)NC1Cc2ccccc2C1 171460 VLEWQEHYLKVFQV-UHFFFAOYSA-N 292.429 2.106 0 30 CEAC CSc1nc(N)nc(CSc2ccccc2)n1 126695 WAHBERJHGGKKFV-UHFFFAOYSA-N 264.379 2.468 0 30 CEAC Cc1cc(Br)cc2c(C(=O)O)n[nH]c12 75884095 ZDVRSACZEUSLSI-UHFFFAOYSA-N 255.071 2.332 0 30 CEAC COc1ccc([C@@H]2CNC[C@H]2NC(=O)OC(C)(C)C)cc1 68575210 NTUSMEQMZHLYMM-UONOGXRCSA-N 292.379 2.275 0 30 CEAC Brc1cnc(NCc2ccncc2)nc1 1495462 MJYUZGFEMAPZKI-UHFFFAOYSA-N 265.114 2.246 0 30 CEAC CC(C)(C)OC(=O)N1CC(c2ncc(C=O)s2)C1 382723334 ORNQTKXMPAENND-UHFFFAOYSA-N 268.338 2.290 0 30 CEAC CCOC(=O)[C@H]1c2cccn2CCN1C(=O)OC(C)(C)C 382686031 FOXNKGBCMUCRQF-GFCCVEGCSA-N 294.351 2.343 0 30 CEAC CNCCC12CC(CCN1C(=O)OC(C)(C)C)C2 2265381494 PLXVINSIIZTRPK-UHFFFAOYSA-N 254.374 2.386 0 30 CEAC O=C(O)CSCC(=O)Nc1ccc(OC(F)F)cc1 156453 QPFJNOBUTXNFMJ-UHFFFAOYSA-N 291.275 2.044 0 30 CEAC CC(C)(C)OC(=O)NC[C@@]12CCCC[C@@H]1CNC2 32625257 OCBLBCHMNLRFCF-RISCZKNCSA-N 254.374 2.291 0 30 CEAC NC(=O)c1ccc(O[C@H]2CCN(Cc3ccccc3)C2)cc1 95932513 KLHHCQNXFYICOB-KRWDZBQOSA-N 296.370 2.439 0 30 CEAC CCOC(=O)COc1cccc2c(C)cc(=O)oc12 80971 SOHKELXBILSOCD-UHFFFAOYSA-N 262.261 2.043 0 30 CEAC COc1ccc(-n2cnc3c(Cl)ncnc32)cc1 1575421 BBGNCJAADRAEKV-UHFFFAOYSA-N 260.684 2.478 0 30 CEAC CN(C)c1noc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 96034441 HZZXDBWKZOWZHV-UHFFFAOYSA-N 296.371 2.250 0 30 CEAC Cc1cc(C(=O)O)cnc1NC(=O)OC(C)(C)C 2265360056 NEQKOQQBVQPWGE-UHFFFAOYSA-N 252.270 2.435 0 30 CEAC O=C(O)[C@@H]1CCCc2ncc(Br)cc21 238659258 MJBCYCAXPFLFCQ-SSDOTTSWSA-N 256.099 2.349 0 30 CEAC Cc1cc2c(NC(=O)CCCC(=O)O)cccc2nn1 156452 FKRXMDKIUCWSAC-UHFFFAOYSA-N 273.292 2.132 0 30 CEAC Clc1nccc(N2CCN(Cc3ccccc3)CC2)n1 38579630 IJVADTGHTGZGSE-UHFFFAOYSA-N 288.782 2.452 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@](N)(c2ccccc2)C1 211496113 JWQMHIHZMPBTSY-HNNXBMFYSA-N 262.353 2.481 0 30 CEAC O=C(O)[C@H](O)c1ccc(Cl)cc1Br 89064413 MQOIIGBCPDYTDH-SSDOTTSWSA-N 265.490 2.221 0 30 CEAC COC(=O)c1ccc(C)c(NCc2[nH]cnc2C)c1 54794874 KUIZBDOPQXVKNA-UHFFFAOYSA-N 259.309 2.425 0 30 CEAC in-vitro CCCC[C@H](CC)COCCOP(=O)(O)O 5822145 VUDMTCUUMKXFTD-JTQLQIEISA-N 254.263 2.329 0 30 CEAC COCOc1cc(Cl)cnc1Br 238357704 LFRZYIPCZUOHAV-UHFFFAOYSA-N 252.495 2.480 0 30 CEAC in-vitro Fc1cc(I)cc2cn[nH]c12 89197232 UVMNZTJYKQSREA-UHFFFAOYSA-N 262.025 2.307 0 30 CEAC CCOC(=O)c1ccc(NC(=S)NNC(C)(C)C)cc1 13659113 RWLFVTVAILNYNS-UHFFFAOYSA-N 295.408 2.453 0 30 CEAC CN(c1cncc(Cl)n1)C1CN(C(=O)OC(C)(C)C)C1 811857245 ZQOLBOAAVMNGKF-UHFFFAOYSA-N 298.774 2.186 0 30 CEAC CC(C)[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]12CCCN2 958719669 WJCNSNPJLILBHV-FZMZJTMJSA-N 254.374 2.384 0 30 CEAC O=C(O)C(F)(F)c1ccc2c(c1)OC(F)(F)O2 382694502 KEZZOTZKXSGDBE-UHFFFAOYSA-N 252.119 2.185 0 30 CEAC O=C1NC(=O)C(c2ccccc2)(c2ccccc2)O1 6095960 XDOFCEHAMICSIZ-UHFFFAOYSA-N 253.257 2.197 0 30 CEAC Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 19689188 YDKROERRTYCSRC-UHFFFAOYSA-N 257.215 2.412 0 30 CEAC in-vitro CC(C)(C)OC(=O)N[C@@H](C[C@H]1CC1(F)F)C(=O)O 95774533 QEKPZMYIMVXKQB-BQBZGAKWSA-N 265.256 2.010 0 30 CEAC CC(C)(C)OC(=O)N1CCc2ccccc2[C@H](N)C1 238148128 WXWZOYRCBXCPMU-CYBMUJFWSA-N 262.353 2.480 0 30 CEAC CNc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 95935431 SHEPPWHGJZIPED-UHFFFAOYSA-N 292.383 2.180 0 30 CEAC O=c1[nH]nc(S)n1-c1ccc(Cl)c(Cl)c1 172750 SIOWZJRMYGOMOX-UHFFFAOYSA-N 262.121 2.156 0 30 CEAC Cc1cc(NC(=O)Cc2cc(F)cc(F)c2)no1 110571 BRPMYFLLOVPPFV-UHFFFAOYSA-N 252.220 2.442 0 30 CEAC Cc1nc2c(C)c(C)c3c(nc(N)n3C)c2nc1C 5159602 JVQARNVOLWRXJG-UHFFFAOYSA-N 255.325 2.332 0 30 CEAC COc1ccc(N2CCN(OC)C2=O)cc1Cl 32266109 KJCMTHDEAFQGRR-UHFFFAOYSA-N 256.689 2.152 0 30 CEAC O=C(O)c1nc(Br)sc1[C@@H]1CCOC1 236461585 VYWKNPKSEFKJNX-SCSAIBSYSA-N 278.127 2.108 0 30 CEAC CN(Cc1ccc(C(=O)O)cn1)C(=O)OC(C)(C)C 147579259 HZVCTQAAIJBRBQ-UHFFFAOYSA-N 266.297 2.147 0 30 CEAC CCOC(=O)c1c(Br)noc1C1CC1 260732970 WXGNMTLCZJGUIN-UHFFFAOYSA-N 260.087 2.491 0 30 CEAC O[C@@H](CNC[C@H]1COc2ccccc2O1)c1ccccc1 157204 ZIRCLALNWOIALZ-GJZGRUSLSA-N 285.343 2.150 0 30 CEAC Nc1cc(Br)cnc1OCC(F)F 130417387 UATBKJGEFSBFNO-UHFFFAOYSA-N 253.046 2.070 0 30 CEAC NN(Cc1ccccc1)C[C@H]1COc2ccccc2O1 19168753 IXTXYSAWZICAPV-AWEZNQCLSA-N 270.332 2.202 0 30 CEAC in-man CC(C)n1ncc(C(O)(C(F)(F)F)C(F)(F)F)c1N 521399776 ODFBBILBFJPTNI-UHFFFAOYSA-N 291.195 2.358 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@@H]2[C@@H]1C2(F)F 725261811 IVJFSOOUUQXLOS-GJMOJQLCSA-N 277.267 2.104 0 30 CEAC O=S(=O)(Nc1cccc(CO)c1)c1cccs1 154948 SKGFSPRJOOFWHT-UHFFFAOYSA-N 269.347 2.041 0 30 CEAC O[C@@H](CNCCc1ccc(Cl)cc1)C(F)(F)F 68879502 XQGUGABJTYSZHY-JTQLQIEISA-N 267.678 2.395 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H]1NCCC[C@@H]12 307053855 WHXMZTNYRYIBBS-RHYQMDGZSA-N 252.358 2.136 0 30 CEAC Clc1ccc2c(N3CCNCC3)nsc2c1 38954907 FIOIXMFNRBMCOZ-UHFFFAOYSA-N 253.758 2.359 0 30 CEAC in-vitro O=C1NC(=O)[C@@H](c2ccccc2OCc2ccccc2)N1 95883463 JZJJUEHRTCMZMT-CQSZACIVSA-N 282.299 2.146 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 299805592 WEVXOHPKRWIQJW-MRXNPFEDSA-N 290.363 2.051 0 30 CEAC COC(=O)c1cccc(Oc2nc(OC)cc(OC)n2)c1 1496678 SRYXQTMUMSOKQT-UHFFFAOYSA-N 290.275 2.073 0 30 CEAC CC(=O)Nc1cccc(OCCCNC(=O)C2CCC2)c1 4324717 IQTXJZDEYCJKEM-UHFFFAOYSA-N 290.363 2.330 0 30 CEAC Cn1nccc1NS(=O)(=O)c1ccc(F)cc1Cl 116776 IOLQXHLIIHJBLP-UHFFFAOYSA-N 289.719 2.013 0 30 CEAC CCOC(=O)[C@@]1(C)CN(c2cccc(F)c2)C(=O)O1 260690640 UDLXVCKELGQEBR-CYBMUJFWSA-N 267.256 2.104 0 30 CEAC O=C1NCCN=C(c2ccccc2)c2ccccc21 17862888 VXJXJLGYASKSMK-UHFFFAOYSA-N 250.301 2.267 0 30 CEAC COCCN1CC[C@@H](N)[C@@H]1c1ccc(Cl)c(F)c1 70300398 SRFNNMNKCZZXJY-OLZOCXBDSA-N 272.751 2.200 0 30 CEAC in-vitro COc1ccc([C@@]2(O)Cc3ccccc3C3=NCCN32)cc1 27859789 JAHZSXVGNHTXMR-SFHVURJKSA-N 294.354 2.159 0 30 CEAC COC(=O)[C@H](O)c1ccc(Cl)cc1Br 126533202 IONCLNPDYMCKNA-MRVPVSSYSA-N 279.517 2.309 0 30 CEAC Oc1cnc(Br)c(Br)c1 95829913 NTKDBYIFNCCJFF-UHFFFAOYSA-N 252.893 2.312 0 30 CEAC in-vitro CC(C)(O)C(C)(C)OB(O)c1cc2cccc(Cl)c2[nH]1 200312868 SWVGMDGDKWHTET-UHFFFAOYSA-N 295.575 2.075 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H]1C[C@H]2CC[C@H]1C2 300946151 OJSPXNIKKISMPL-XWLWVQCSSA-N 269.341 2.401 0 30 CEAC CC(C)(C)OC(=O)Nc1ccc([S@](=O)O)nc1 958534240 DYWZUYMFRKZKLA-UHFFFAOYSA-N 258.299 2.009 0 30 CEAC O=C(NC(=O)c1ccccc1O)c1ccc(F)cc1 155899 BBDYUGABRXGWTJ-UHFFFAOYSA-N 259.236 2.102 0 30 CEAC COC(=O)C[C@@H](N)c1ccc(OC)c(Br)c1 38052372 IYVWGBFPKXXSJG-SECBINFHSA-N 288.141 2.021 0 30 CEAC CC(C)C[C@@](C)(CO)N[C@H](CO)c1ccccc1 2242135293 NBQKMHJSWXQYOS-CABCVRRESA-N 251.370 2.107 0 30 CEAC COC(=O)c1ccc2c(c1)CC[C@]1(CCCN(C)C1=O)C2 585164107 GFRCEQOUHQMDPF-QGZVFWFLSA-N 287.359 2.201 0 30 CEAC Cc1n[nH]c(C)c1Sc1nnc(C(F)(F)F)n1C 123127 RDYAFEWPQLABIZ-UHFFFAOYSA-N 277.275 2.325 0 30 CEAC COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3)[C@H]1O5 65748263 QKQQEIVDLRUZRP-UUWFMWQGSA-N 297.354 2.082 0 30 CEAC in-vitro CCOC(=O)C1=NN(c2ccc(F)cc2F)[C@@H](OCC)C1 96300583 VSMJFTWQYFYUAL-ZDUSSCGKSA-N 298.289 2.457 0 30 CEAC C/C=C(\C)C(=O)Nc1ccc(N2CCOCC2)cc1 68188 PDRMHZRBXUUAEO-KGVSQERTSA-N 260.337 2.428 0 30 CEAC O[C@@]1(c2ccc(F)cc2)Cc2ccccc2C2=NCCN21 100220274 ASAXCWFAAMUWMC-QGZVFWFLSA-N 282.318 2.289 0 30 CEAC C[C@@H]1NCC(=O)Nc2ccc(Br)cc21 84595055 VJQFYFSOELYSKS-LURJTMIESA-N 255.115 2.052 0 30 CEAC CC(C)(C)OC(=O)N1CCC2(CCC[C@H](CN)O2)CC1 606297666 NMCUZMVJNDLTBL-GFCCVEGCSA-N 284.400 2.284 0 30 CEAC CC(C)(C)OC(=O)N1CCC(n2ccc(C(=O)O)n2)CC1 382676329 SMNGVKZBJGNAFI-UHFFFAOYSA-N 295.339 2.153 0 30 CEAC Cc1cccc(Cl)c1-n1sc(=O)n(CC2CC2)c1=O 143718 YLCSCAQFQSZDOU-UHFFFAOYSA-N 296.779 2.433 0 30 CEAC COC(=O)c1cnc2c(c1)CN(C(=O)OC(C)(C)C)C2 83428579 LLEZOBLLXJZXSR-UHFFFAOYSA-N 278.308 2.119 0 30 CEAC C[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1C(=O)O 39172378 LQRFFFUWTFNYFD-JQWIXIFHSA-N 263.293 2.118 0 30 CEAC NCc1cc(Br)nc(Br)c1 95763872 GFMSLHDSQFMSOB-UHFFFAOYSA-N 265.936 2.065 0 30 CEAC O=C(O)C(F)(F)c1ccc(Br)cn1 95917529 MCXGNMNQGZVDRF-UHFFFAOYSA-N 252.014 2.021 0 30 CEAC CC(=O)N[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 71864476 ODVIBBIJXMZYKO-ZDUSSCGKSA-N 290.363 2.489 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H](/C=C/[N+](=O)[O-])C1 381964620 IEWSHPFMIMUZSI-QEHWCHDUSA-N 256.302 2.424 0 30 CEAC O=C(OCCl)C1(C(=O)OCc2ccccc2)CC1 396171807 UUAJHNZOHHWINZ-UHFFFAOYSA-N 268.696 2.250 0 30 CEAC Cc1ccc(C(=O)[C@@H]2CC[C@@H](O)C[C@H]2C(=O)O)cc1 32099120 DKTQEFGHGHINGN-JHJVBQTASA-N 262.305 2.040 0 30 CEAC COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1C 81317 PDVSDBAADZROMB-GFCCVEGCSA-N 259.305 2.046 0 30 CEAC CCOc1cc(OCC)cc(OCCN2CCOCC2)c1 31597118 MXVLJFCCQMXEEE-UHFFFAOYSA-N 295.379 2.195 0 30 CEAC in-man C/C=C/[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)C1CCCC1 16958551 KFIKGORTYFCONO-YWWDZWHWSA-N 293.407 2.121 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)O)C[C@@H]2C1 757120262 DFEAEILULKWLCN-NOZJJQNGSA-N 255.314 2.108 0 30 CEAC CC[C@H](C)[C@H](CO)NC(=O)OCc1ccccc1 142211902 RIESWPZCQMFUMF-AAEUAGOBSA-N 251.326 2.320 0 30 CEAC COc1cc2c(cc1OC)[C@H](O)[C@@]1(CCCCN1)CC2 146588671 MCAJBTMDTTZXLB-JKSUJKDBSA-N 277.364 2.196 0 30 CEAC Cc1ccc(S(=O)(=O)CCSc2nccn2C)cc1 149775 JJBRKGIWDBNJLT-UHFFFAOYSA-N 296.417 2.295 0 30 CEAC CC(C)(C)OC(=O)NC(C)(C)c1nocc1C(=O)O 238855274 RDNQFBQCQXOTQO-UHFFFAOYSA-N 270.285 2.133 0 30 CEAC COC1(OC)CC(NC(=O)OCc2ccccc2)C1 66351369 ARZLOANUGIJCHB-UHFFFAOYSA-N 265.309 2.064 0 30 CEAC CC(C)CNS(=O)(=O)c1cccc2c(N)cccc12 173237 AVFDWAHHWJXHQU-UHFFFAOYSA-N 278.377 2.356 0 30 CEAC CC(C)CC(=O)[C@@H]1C(=O)C[C@@]2(CCC(C)(C)O2)C1=O 100126488 NDWVLRIACYVJEO-DOMZBBRYSA-N 266.337 2.088 0 30 CEAC COc1ccc(NC(=S)N[C@H]2CC[C@H](O)CC2)cc1 753674025 NIOKATOGZNFLHH-UMSPYCQHSA-N 280.393 2.285 0 30 CEAC COC(=O)Cc1cc(Cl)ncc1Br 307651770 MQNDVGZILZRSEA-UHFFFAOYSA-N 264.506 2.213 0 30 CEAC CCOC(=O)COc1c(Br)cccc1C=O 38537726 OKJVUEOWSJELCG-UHFFFAOYSA-N 287.109 2.204 0 30 CEAC O=C(O)[C@@H]1CCO[C@H]1c1nccn1-c1ccccc1 238855864 TTZOSKADNJZIGW-VXGBXAGGSA-N 258.277 2.035 0 30 CEAC CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)O 584879967 QLINLMKCOUUAED-LLVKDONJSA-N 279.292 2.143 0 30 CEAC O=C(OCc1ccccc1)N1CCC[C@H]2CNCC[C@@H]21 605706894 CAYPZYOXNWSJPJ-GJZGRUSLSA-N 274.364 2.397 0 30 CEAC O=C(OCc1ccccc1)N1CC[C@@]12CCCNC2 91690552 PSWWJLDDNOFCJW-OAHLLOKOSA-N 260.337 2.151 0 30 CEAC CCN(CC)CCNC(=O)CC1(C)Oc2ccccc2O1 2005631 IWZQGXVLSYLCBN-UHFFFAOYSA-N 292.379 2.022 0 30 CEAC Nc1ccc(-c2ccc(Br)cn2)nc1 606291452 UKXHOPGLLWQLKE-UHFFFAOYSA-N 250.099 2.488 0 30 CEAC O=C1c2ccccc2C(=O)N1Cc1ccc2nccnc2c1 1188177082 KRAOJYJIYNCIPI-UHFFFAOYSA-N 289.294 2.426 0 30 CEAC CN1[C@H](c2ccccc2)CC(=O)[C@@]2(O)CCCC[C@@H]12 13467978 HKCYHEPGBFQGFR-SQWLQELKSA-N 259.349 2.306 0 30 CEAC CC(C)N[C@H]1[C@H]2CC[C@@H](C2)[C@]1(O)c1ccc(O)c(O)c1 101756724 KEUBXSDYVDQAIJ-GREKMHCPSA-N 277.364 2.082 0 30 CEAC COC(=O)Cc1cc(I)ccc1C 71624236 JXWRFTJMGBAWIW-UHFFFAOYSA-N 290.100 2.315 0 30 CEAC CCOC(=O)Cc1nc(C)sc1Br 260815273 UKOFEVBLDHQRRV-UHFFFAOYSA-N 264.144 2.320 0 30 CEAC Nc1cccc(NC[C@H](O)COc2ccccc2)c1 5162515 RFPKYQMWFYTWKO-AWEZNQCLSA-N 258.321 2.121 0 30 CEAC Nc1ccc(Br)c(OC(F)(F)F)n1 238574524 IUBVIIHJCPSWEI-UHFFFAOYSA-N 257.009 2.325 0 30 CEAC COC(=O)c1ncc(OC)cc1NC(=O)OC(C)(C)C 238361404 VLUKNHKNDOYHKE-UHFFFAOYSA-N 282.296 2.224 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@@H]2[C@H]1C2(F)F 725261809 IVJFSOOUUQXLOS-CSMHCCOUSA-N 277.267 2.104 0 30 CEAC CCCCN1C(=O)[C@@H](C(C)=O)C(=O)c2ccccc21 957698463 YPRFYCYEMNZYNM-ZDUSSCGKSA-N 259.305 2.221 0 30 CEAC O=C1COc2cc(S)c(Br)cc2N1 36926354 HGOOUVFEJOMPTH-UHFFFAOYSA-N 260.112 2.069 0 30 CEAC in-vitro CNc1scnc1S(=O)(=O)c1ccc(C)cc1 106419 YEKSNCQNAXPQNM-UHFFFAOYSA-N 268.363 2.326 0 30 CEAC COc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 13452178 ZOXKNVCXIKCYPF-DJBIQUGXSA-N 287.315 2.157 0 30 CEAC O=C(O)[C@@H]1CCO[C@H]1c1cnn(-c2ccccc2)c1 92862315 ZBXAWODZIJMEBU-OLZOCXBDSA-N 258.277 2.035 0 30 CEAC COP(=O)(CC(=O)C1Cc2ccccc2C1)OC 34319421 INDCQOTULGRLGI-UHFFFAOYSA-N 268.249 2.456 0 30 CEAC O=C(O)[C@H]1NCC[C@H]1c1cccc(C(F)(F)F)c1 92742205 QHAURQAMKRYSBP-UWVGGRQHSA-N 259.227 2.236 0 30 CEAC COC(=O)[C@@]1(Cc2cccc(Br)c2)CCNC1 253186045 RIAPESXTQDMMFZ-CYBMUJFWSA-N 298.180 2.144 0 30 CEAC CC(C)(C)Oc1ccc(C[C@](C)(N)C(=O)O)cc1 44075488 PVOLDVYXXMZPIL-AWEZNQCLSA-N 251.326 2.208 0 30 CEAC CN(C)Cc1nc(-c2cn(C)c3ccccc23)no1 12012 QSJAUJMEJZCQQU-UHFFFAOYSA-N 256.309 2.290 0 30 CEAC CC1(C)CC(=O)c2c(csc2S(C)(=O)=O)C1 4350272 QWVHLWSBMNQAFT-UHFFFAOYSA-N 258.364 2.307 0 30 CEAC CSc1nc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)nc(=N)[nH]1 2265277152 DZXBHXZJWGQHNK-SXBOEOOGSA-N 276.409 2.474 0 30 CEAC Cc1c(C)c(C)c(CNC(=S)NN)c(C)c1C 97919 GEZPJXNDLZSBHH-UHFFFAOYSA-N 251.399 2.067 0 30 CEAC O=C(Nc1nnnc2ccccc12)c1ccccc1 1723251 KTEUKMINXQZENT-UHFFFAOYSA-N 250.261 2.277 0 30 CEAC Cn1nc(CC(F)(F)F)c2c(Cl)ncnc21 51971771 AWSYXPXKFWOMAT-UHFFFAOYSA-N 250.611 2.122 0 30 CEAC O=S1(=O)CCCc2ccc(Br)cc21 149256652 DMJMKTQTDONYHP-UHFFFAOYSA-N 261.140 2.169 0 30 CEAC COc1c(O)ccc(C(=O)C[C@@H]2CCCCN2)c1OC 238778008 MCMMIRWNWGZONI-JTQLQIEISA-N 279.336 2.124 0 30 CEAC CC(C)(C)OC(=O)N1CCc2c(C(=O)O)ccnc2C1 95774312 SDIVNTVJBBXAPA-UHFFFAOYSA-N 278.308 2.073 0 30 CEAC C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCNCC1 206419899 VODMJCLCTFUITG-FZMZJTMJSA-N 260.337 2.320 0 30 CEAC OC[C@H](O)COC(c1ccccc1)c1ccccc1 139228997 QDDNUSCYDHBEEV-HNNXBMFYSA-N 258.317 2.146 0 30 CEAC in-vitro N[C@@H](Cc1ccc(-c2ccc(O)cc2)cc1)C(=O)O 1245644002 NPPPJKMZKWMLIK-AWEZNQCLSA-N 257.289 2.014 0 30 CEAC COc1ccc2c(c1)NC(=O)[C@H]2CNC(=O)OC(C)(C)C 101157069 MPXWPHLYAIBRGN-NSHDSACASA-N 292.335 2.256 0 30 CEAC COC(=O)c1cccc(NC(=O)NC(=O)c2ccco2)c1 143563 WSVYFWCTYIAQQH-UHFFFAOYSA-N 288.259 2.028 0 30 CEAC O=C(NC(=O)c1csnn1)Nc1ccccc1Cl 106102 GKDXYAILAADFII-UHFFFAOYSA-N 282.712 2.153 0 30 CEAC CC(C)(C)OC(=O)[C@H](CC[C@H](N)C(=O)O)c1ccccc1 55167746 OFMQRNWJGVYFNT-OLZOCXBDSA-N 293.363 2.304 0 30 CEAC CNC(=O)Oc1ccccc1[C@@H]1O[C@@H](C)[C@@H](C)O1 255983051 KHOCVCJZJLCLGP-GDGBQDQQSA-N 251.282 2.227 0 30 CEAC Brc1cc2[nH]ncc2nc1Br 89219752 UTAQHPPCKRKXAG-UHFFFAOYSA-N 276.919 2.483 0 30 CEAC Cc1cc(Cl)c(S(N)(=O)=O)c(Br)c1 575675057 XSCWUBMZWLCUCD-UHFFFAOYSA-N 284.562 2.058 0 30 CEAC COc1ccc2c(OC)c3c(nc2c1OC)OCC3 71404554 CKDKGHDDRAMHGK-UHFFFAOYSA-N 261.277 2.196 0 30 CEAC biogenic COc1cc2c(cc1OC)[C@H](CCCCCO)NCC2 32099020 NVTXDUGHWMXCTN-AWEZNQCLSA-N 279.380 2.443 0 30 CEAC O=C(O)c1cc(Cl)nc(I)c1 95766054 KIJBBRKEJFTTJV-UHFFFAOYSA-N 283.452 2.038 0 30 CEAC O=C(O)CC[C@H](NCCCCCc1ccccc1)C(=O)O 96347189 YYOWDMGGBDDVPO-AWEZNQCLSA-N 293.363 2.307 0 30 CEAC CN(C)C(=O)c1csc([C@H]2COc3ccccc3O2)n1 168640 VSVNXLFCAZVTOC-GFCCVEGCSA-N 290.344 2.357 0 30 CEAC Nc1ccc2c(c1)C[C@H](N1C(=O)c3ccccc3C1=O)C2 71873548 JHOGMCFVKZDACN-CYBMUJFWSA-N 278.311 2.032 0 30 CEAC Cc1cc(C(=O)NC(=N)c2ccc(Cl)cc2)no1 20230215 UMKUBQRQOBXRBR-UHFFFAOYSA-N 263.684 2.392 0 30 CEAC COc1ccccc1-c1ccc(C[C@@H](N)C(=O)O)cc1 44288211 BUKWKMVOQZRTSM-CQSZACIVSA-N 271.316 2.317 0 30 CEAC CN1C(=O)C[C@H](N)[C@H]1c1ccc(Cl)c(Cl)c1 62208847 ZTQYNKILRPFDCR-GXSJLCMTSA-N 259.136 2.224 0 30 CEAC CC(C)(C)OC(=O)N1CCc2c(CN)cccc2C1 95761684 RGIPNUSHCFRGNF-UHFFFAOYSA-N 262.353 2.439 0 30 CEAC in-vitro O=C(O)[C@@H]1CCN(Cc2ccccc2)CC1(F)F 224220643 OFAYEFASYBFVIA-NSHDSACASA-N 255.264 2.228 0 30 CEAC CC(C)(C)OC(=O)N1CCNC[C@H]1C1CCCC1 95752806 FHELQHJSNKQZRA-LBPRGKRZSA-N 254.374 2.386 0 30 CEAC CCOC(=O)c1nc(Br)c2n1CCCC2 259309926 GQGNMPYVLIHLOQ-UHFFFAOYSA-N 273.130 2.159 0 30 CEAC COCCOCCOc1ccc(N)cc1Br 125680397 JUHKXCFVSJZOAZ-UHFFFAOYSA-N 290.157 2.073 0 30 CEAC CC(C)(C)OC(=O)NCc1cn2c(C(=O)O)cccc2n1 2265347405 XKGNWKZBAAILLF-UHFFFAOYSA-N 291.307 2.057 0 30 CEAC CSc1scc(N)c1S(=O)(=O)C(C)C 113321 KREUICQMPFEDBA-UHFFFAOYSA-N 251.398 2.234 0 30 CEAC Cc1noc(C)c1NC(=O)NCCOc1ccccc1 4389411 JHNPWRLQRJBODT-UHFFFAOYSA-N 275.308 2.492 0 30 CEAC CCOC(=O)C[C@@H](C(C)=O)P(=O)(OCC)OCC 1766551 UTHDIEPTEMHAMG-JTQLQIEISA-N 280.257 2.163 0 30 CEAC CCOC(=O)c1cc2c(=O)[nH]ccc2nc1C(F)(F)F 13125183 WYAWNIPHXZTZSQ-UHFFFAOYSA-N 286.209 2.119 0 30 CEAC C[C@@H](O)CN1CN=C(SCc2ccc(Cl)cc2)NC1 144949 IHHXGMULTGRQKF-SNVBAGLBSA-N 299.827 2.130 0 30 CEAC O=S1(=O)N=C(Cl)c2ccc(Br)cc21 34238112 GCZATFRLSCYOLO-UHFFFAOYSA-N 280.530 2.137 0 30 CEAC CC(C)(C)c1cc(C(N)=O)n(Cc2ccccc2)n1 122118 SXHVTQHZYMNXIY-UHFFFAOYSA-N 257.337 2.328 0 30 CEAC CC(=O)N[C@H](CSC(Cl)=C(Cl)Cl)C(=O)O 34306876 NBGLMNHGJFSOCH-SCSAIBSYSA-N 292.571 2.152 0 30 CEAC CCOC(=O)N(CC)S(=O)(=O)c1ccccc1C 1997969 YCOAIRMWNKMUKY-UHFFFAOYSA-N 271.338 2.162 0 30 CEAC COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 84940064 AWNIRXMMYAJMNG-ZJUUUORDSA-N 257.330 2.243 0 30 CEAC O=C(O)[C@H]1CCCc2ncc(Br)cc21 238687265 MJBCYCAXPFLFCQ-ZETCQYMHSA-N 256.099 2.349 0 30 CEAC CC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100394001 SMHNDQGSRZUFNG-GVARAGBVSA-N 281.311 2.201 0 30 CEAC CCOC(=O)c1cc2c(Cl)nc(C)cc2oc1=O 141362031 GZPYMWLRKMNMBA-UHFFFAOYSA-N 267.668 2.327 0 30 CEAC COc1cc(-c2noc(C)n2)cc(OC)c1OC 97546 FYJLFBNDWNPQQB-UHFFFAOYSA-N 250.254 2.071 0 30 CEAC CCn1c(O)nnc1[C@@H]1OCC[C@@H]1c1ccccc1 328579532 NVZNGTHTZCQDFN-VXGBXAGGSA-N 259.309 2.249 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@H]2[C@H]1C2(F)F 725261810 IVJFSOOUUQXLOS-FXQIFTODSA-N 277.267 2.104 0 30 CEAC C[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1C(=O)O 95931451 LQRFFFUWTFNYFD-CMPLNLGQSA-N 263.293 2.118 0 30 CEAC CCCCOc1c(Nc2cccc(OC)c2)c(=O)c1=O 4347629 WMVNCQZRDXTDAY-UHFFFAOYSA-N 275.304 2.214 0 30 CEAC CC(C)(C)OC(=O)NC[C@H]1CNCC[C@H]1C(F)(F)F 521399023 QYQCZITWJGCWFA-RKDXNWHRSA-N 282.306 2.299 0 30 CEAC CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CN)C1 958720311 HQCSDOSIMBNSSY-NSHDSACASA-N 254.374 2.372 0 30 CEAC CSc1nc(N)n(-c2cc(C(F)(F)F)cc(C)n2)n1 141879 VTPJIFOXGUTXAN-UHFFFAOYSA-N 289.286 2.294 0 30 CEAC O=C1CS[C@@H](c2cccnc2)N1Cc1cccnc1 99718 BFGYHBRCKKVHIQ-AWEZNQCLSA-N 271.345 2.251 0 30 CEAC O=C1CCN(c2cc(Br)ccn2)CC1 96958286 KZFAMMXMGUNWQR-UHFFFAOYSA-N 255.115 2.013 0 30 CEAC CCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 4344326 OIVIEPBORBEWRC-VHSXEESVSA-N 258.362 2.062 0 30 CEAC C[C@@H]1CC(C)(C)OB(OB2O[C@H](C)CC(C)(C)O2)O1 195761404 KUZYYSNLEIAJQJ-NXEZZACHSA-N 269.943 2.181 0 30 CEAC Brc1ccc(CNCCn2ccnc2)o1 41041887 YWXVIXPUBJFQEH-UHFFFAOYSA-N 270.130 2.028 0 30 CEAC COC(=O)[C@@H]1ON(C)[C@@H]2c3c(ccc4ccccc34)OC[C@H]21 12949955 HDHXCAZJYGUQIE-UHOFOFEASA-N 299.326 2.308 0 30 CEAC COc1cc(Br)cc2[nH]nc(C=O)c12 14984098 UMRTZJMJZYVEAG-UHFFFAOYSA-N 255.071 2.147 0 30 CEAC C[C@H]1NCC(=O)Nc2ccc(Br)cc21 84595053 VJQFYFSOELYSKS-ZCFIWIBFSA-N 255.115 2.052 0 30 CEAC COC(=O)[C@](Cl)(NC(=O)OC(C)(C)C)C(F)(F)F 584880253 QPKQSCFLAJFIOQ-QMMMGPOBSA-N 291.653 2.182 0 30 CEAC O=C(c1cccnc1)c1ccnc(Br)c1 2524977 IOVJKGWSRSFDRT-UHFFFAOYSA-N 263.094 2.470 0 30 CEAC CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccc(O)cc1 220463040 FBURVBYIKWKMBF-CYBMUJFWSA-N 292.379 2.144 0 30 CEAC CC(C)(C)OC(=O)NCc1ccc(C(N)=S)cc1 38978868 GIQIIACUQBSLKE-UHFFFAOYSA-N 266.366 2.346 0 30 CEAC O=C(Nc1ccc2c(c1)CS(=O)(=O)C2)c1cccs1 171543 MCXLFYYQAKVDBA-UHFFFAOYSA-N 293.369 2.429 0 30 CEAC Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)o1 36050877 KWEBBYVLFXJCGI-UHFFFAOYSA-N 279.605 2.201 0 30 CEAC COC(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C 98091691 YSKUQLCATBOEBJ-SECBINFHSA-N 257.330 2.195 0 30 CEAC CCCSc1ncc(Br)c(C(=O)O)n1 2265339953 DPMKNPXRKYEBTP-UHFFFAOYSA-N 277.143 2.439 0 30 CEAC Cc1cc(Cl)c(Br)cc1S(N)(=O)=O 575674965 VHHPMSSZMALXFQ-UHFFFAOYSA-N 284.562 2.058 0 30 CEAC O=C(Nc1nc2ccsc2c(=O)s1)C1CCC1 119737 DMBVSNFWJWWDRT-UHFFFAOYSA-N 266.347 2.457 0 30 CEAC COc1ccc(N2C(=O)CC(C)(C)CC2=O)cc1OC 4334710 WIEWWYHMPXTUGF-UHFFFAOYSA-N 277.320 2.383 0 30 CEAC COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C(C)=O 47915314 FMNSSROOQMEGQT-MRVPVSSYSA-N 256.685 2.483 0 30 CEAC CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)O)C1(C)C 218268108 PIKQYICYLAWBSP-BDAKNGLRSA-N 257.330 2.401 0 30 CEAC Cc1ccc(S(C)(=O)=O)cc1I 115986845 JGYBXAURCQXJAC-UHFFFAOYSA-N 296.129 2.003 0 30 CEAC CC(C)(C)OC(=O)NCc1cccc(C(N)=S)c1 54139398 ZWHTXZYBQQDBTG-UHFFFAOYSA-N 266.366 2.346 0 30 CEAC in-vitro COCc1nc(C2CC2)ncc1I 958719497 ALIDAQUCZRFRIE-UHFFFAOYSA-N 290.104 2.105 0 30 CEAC CN(C)[C@H]1CCCC[C@@H]1OC(=O)c1ccc(N)cc1O 33875447 DYZKHUPHFRSPBJ-JSGCOSHPSA-N 278.352 2.004 0 30 CEAC Cc1cc(I)cc2[nH]ncc12 14984659 UODWOXFUIAWITE-UHFFFAOYSA-N 258.062 2.476 0 30 CEAC CC(C)(C)OC(=O)CCn1cc(Br)cn1 126435772 OXELZKLIHFBQDK-UHFFFAOYSA-N 275.146 2.377 0 30 CEAC in-vitro NNc1cccc(OC(F)F)c1Br 307019159 XVJJWROPNORUHQ-UHFFFAOYSA-N 253.046 2.336 0 30 CEAC O=C(Nc1ccc(F)cc1)C(=S)NCc1ccco1 172888 VZGJYTKMVHXPAH-UHFFFAOYSA-N 278.308 2.474 0 30 CEAC Cc1cc(NCc2ccccc2F)n2ncnc2n1 1368932 VHJBRIUYFBUFEX-UHFFFAOYSA-N 257.272 2.184 0 30 CEAC NCc1cccc(-c2nc(-c3ccncc3)no2)c1 37716898 SCYRMEDPTDXZKN-UHFFFAOYSA-N 252.277 2.257 0 30 CEAC FC(F)(F)c1cnc(I)nc1 47212291 OUVBWBDXUZIKRJ-UHFFFAOYSA-N 273.983 2.100 0 30 CEAC in-vitro O=C1NCCC[C@H]1c1ccccc1Br 96883881 BOUNIHGQERHMLL-VIFPVBQESA-N 254.127 2.443 0 30 CEAC C[C@H](NC(=O)OC(C)(C)C)C(=O)c1cccnc1 201989513 XZJREDVSWKBRGN-VIFPVBQESA-N 250.298 2.178 0 30 CEAC NC(=S)C1(NC(=O)c2ccccc2)CCCCC1 40354838 KBJXQMBFCQNPRO-UHFFFAOYSA-N 262.378 2.405 0 30 CEAC in-vitro CN1CCC2(CC1)C(=O)Nc1ccc(Br)cc12 40448695 RPTDNCLENFDGQW-UHFFFAOYSA-N 295.180 2.365 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CCC(NCC2CC2)CC1 36878849 ZAYYQFFOEAGSRB-UHFFFAOYSA-N 254.374 2.386 0 30 CEAC O=C(CBr)c1cc(Br)no1 34109509 ZIEZUMAWBZSIDK-UHFFFAOYSA-N 268.892 2.015 0 30 CEAC COCCc1ccc(OC[C@H](O)CN(N=O)C(C)C)cc1 5760268 CHTOBGHTYDROBB-CQSZACIVSA-N 296.367 2.007 0 30 CEAC COc1ccc(CN2C(=O)SC[C@H]2C(C)=O)cc1 95611320 WJKUDHXSJQWMFN-LBPRGKRZSA-N 265.334 2.322 0 30 CEAC C[S@](=O)c1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1 536555953 OPSYMVISFQDGFR-FQEVSTJZSA-N 285.324 2.226 0 30 CEAC CS(=O)(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 152449 XXJDEYAVXJQYCG-UHFFFAOYSA-N 295.389 2.027 0 30 CEAC COC(=O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1 96346621 YUMIHVNVNFGCPW-UHFFFAOYSA-N 284.267 2.402 0 30 CEAC Nc1nc(-c2cccnc2)nc2c1cnn2-c1ccccc1 1682597 WAKSFDIMBDXUGY-UHFFFAOYSA-N 288.314 2.460 0 30 CEAC CCOC(=O)C(=O)c1cscc1Br 397420496 TXOCYFXCASYKQH-UHFFFAOYSA-N 263.112 2.256 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@]1(C)C(=O)O 211278171 LRZXNAUNCVHTGD-WRWORJQWSA-N 270.289 2.149 0 30 CEAC COC(=O)[C@H](N)c1ccc(OCc2ccccc2)cc1 37514754 ZTGSRCQPKWGKQB-OAHLLOKOSA-N 271.316 2.438 0 30 CEAC COc1cc([C@H](N)C(F)(F)F)cc(OC)c1OC 68812511 DTMMWTIWVAGCLH-JTQLQIEISA-N 265.231 2.275 0 30 CEAC in-vitro COc1cc(C(F)(F)F)nnc1Br 139523575 JGWBKZNNGYJBNW-UHFFFAOYSA-N 257.009 2.267 0 30 CEAC FC(F)(F)CN[C@@H]1CCN(Cc2ccccc2)C1 20595742 CGTWNODYCADUSP-GFCCVEGCSA-N 258.287 2.413 0 30 CEAC COc1ccc(N2C(=O)Cc3ccc(OC)cc3C2=O)cc1 162402 STTJCEWRIIYHSI-UHFFFAOYSA-N 297.310 2.433 0 30 CEAC O=C1N(CCO)C(=O)C2(CCCCC2)N1c1ccccc1 6096743 LTBYCIYCAZIKRO-UHFFFAOYSA-N 288.347 2.150 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)O)C[C@@H](C2)C1 250588166 IHFGMUIRMCCXCJ-JGPRNRPPSA-N 269.341 2.354 0 30 CEAC Cc1[nH]c2ccccc2c1CCN1CCC[C@H](O)C1 33866207 QTSGIPLJZBOWNT-ZDUSSCGKSA-N 258.365 2.476 0 30 CEAC COCCC1(c2nc(C3CCCC3)no2)CCNCC1 706496023 TZOLRKDXWHTCSW-UHFFFAOYSA-N 279.384 2.385 0 30 CEAC CC(C)(C)OC(=O)n1nc(Br)c2cncnc21 95932950 MVGRNPWBKMNORX-UHFFFAOYSA-N 299.128 2.372 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H](CO)c1ccccc1 34553540 GVWMKFBBAJMCBC-LBPRGKRZSA-N 251.326 2.287 0 30 CEAC CCOP(=O)(CC(=O)NCC(C)C)OCC 34565042 FQAYSONYHAHHRJ-UHFFFAOYSA-N 251.263 2.025 0 30 CEAC CC(=O)Oc1c(C)c(C)c2c(c1C)C[C@H](CC(=O)O)O2 3784912 QLWBKUUORSULMI-LLVKDONJSA-N 278.304 2.315 0 30 CEAC investigational CNC1CCN(c2nnc(C)c3ccccc23)CC1 37537192 KSBKWOUOYRKCOG-UHFFFAOYSA-N 256.353 2.126 0 30 CEAC COc1cc(OC)c2c(=O)c3ccoc3n(C)c2c1OC 1680156 JDSSUKRVTPIYBN-UHFFFAOYSA-N 289.287 2.311 0 30 CEAC O=C(OCc1ccccc1)N1CC[C@H]2NCCC[C@H]2C1 306174970 MNVMONKUQOPRJD-LSDHHAIUSA-N 274.364 2.397 0 30 CEAC COc1nc(Cl)nc2c(Br)c[nH]c12 2265385132 FSRVJNRWGHXUQD-UHFFFAOYSA-N 262.494 2.382 0 30 CEAC Cc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1 123804 OMBZXPSYFJNBAA-UHFFFAOYSA-N 255.277 2.299 0 30 CEAC O=C(O)[C@H]1COc2c(Br)cccc2C1 96028892 NGZDYSMQMJYANJ-SSDOTTSWSA-N 257.083 2.085 0 30 CEAC CC1(C)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)C1 687762868 UGWKMLJXJULVJU-VIFPVBQESA-N 257.330 2.497 0 30 CEAC O=S(=O)(NCc1ccc2c(c1)CCO2)c1cccs1 113566 VOFMFIUKSAOXOD-UHFFFAOYSA-N 295.385 2.162 0 30 CEAC COC(=O)c1cccc(N)c1NC(=O)OC(C)(C)C 89194842 KOFNWCCYWMSYSU-UHFFFAOYSA-N 266.297 2.402 0 30 CEAC CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2CN)CC1 257866557 DACFQDLBOZYRIQ-LLVKDONJSA-N 254.374 2.372 0 30 CEAC OC1(c2cccc(Br)c2)CCOCC1 114868685 HTAGDFOCHJHXHE-UHFFFAOYSA-N 257.127 2.447 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](Cn2cc(O)cn2)C1 885163422 XJRDSAYAJGJPPW-LLVKDONJSA-N 281.356 2.236 0 30 CEAC O=C1O[C@H](c2ccccc2)CN(C2CCCCC2)C1=O 3604460 YBXQUVYQOUFMOM-AWEZNQCLSA-N 273.332 2.446 0 30 CEAC CC(C)(C)OC(=O)N[C@](C)(CC(=O)O)C(F)F 686851198 DBRXRCDSVNHQSP-SNVBAGLBSA-N 253.245 2.010 0 30 CEAC C1=CC2=c3ccccc3=CN(Cc3ccccc3)N[C@H]2C=C1 198865909 RQOIWZJXLCRMHK-FQEVSTJZSA-N 286.378 2.090 0 30 CEAC NC[C@H](O)CN1c2ccccc2CCc2ccccc21 205422485 XZTCYBAYZQEMFQ-HNNXBMFYSA-N 268.360 2.243 0 30 CEAC O=C1Nc2c(ccc(Cl)c2Br)C1=O 236046610 KFXJFQACJAIWMJ-UHFFFAOYSA-N 260.474 2.237 0 30 CEAC CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]([C@@H]1C(=O)O)C(F)(F)C2 213769468 BOLCEYWUYSTOAK-IWSPIJDZSA-N 291.294 2.494 0 30 CEAC CC12CN(C(=O)OC(C)(C)C)CC(C(=O)O)(C1)C2 2265385242 UXNFIMBLIKWHGN-UHFFFAOYSA-N 255.314 2.108 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCNC2)C1 334160067 KPUCPWPGEADPDP-JHJVBQTASA-N 284.400 2.058 0 30 CEAC Cc1csc(C(=O)O)c1NC(=O)[C@H](C)NC(C)C 504714173 INVSCHQEZUKNSW-QMMMGPOBSA-N 270.354 2.080 0 30 CEAC in-vitro Cc1cc(Br)ccc1-n1nnc(C(=O)O)c1C 49897960 ZXDWBYGIURTNOB-UHFFFAOYSA-N 296.124 2.345 0 30 CEAC CN1C(=O)CC2(CCC2)[C@H](C(=O)O)[C@H]1c1ccccc1 390822231 XLYBISXZWBSQTF-UONOGXRCSA-N 273.332 2.461 0 30 CEAC COc1ncc(I)cc1Cl 145905214 HIARVASSHYRTTJ-UHFFFAOYSA-N 269.469 2.348 0 30 CEAC c1cn(CCCNc2ncnc3ccsc23)cn1 4302042 BOEXKGZSFKWWHR-UHFFFAOYSA-N 259.338 2.390 0 30 CEAC CCOc1ccc2nc(C(=O)O)c(C(=O)O)cc2c1 32099574 AWLUPZWELMOPGF-UHFFFAOYSA-N 261.233 2.030 0 30 CEAC O=C(O)c1nnc(-c2ccccc2Br)o1 95642142 GHWCNHSPVMUNKD-UHFFFAOYSA-N 269.054 2.197 0 30 CEAC CCc1c(C(=O)O)nc2c(Br)cccn12 238285748 SHSXVXFOPOLCGX-UHFFFAOYSA-N 269.098 2.357 0 30 CEAC CCCCN1C(=O)[C@H](C(C)=O)C(=O)c2ccccc21 957698462 YPRFYCYEMNZYNM-CYBMUJFWSA-N 259.305 2.221 0 30 CEAC N=C(NC(=O)c1cnccc1C(F)(F)F)c1ccccn1 20230408 YWUFDIQRGQHHDK-UHFFFAOYSA-N 294.236 2.251 0 30 CEAC COC(=O)[C@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]2C=C[C@H]1C2 100211575 XSLQHUFDALMSHE-AUZPSNTRSA-N 271.316 2.236 0 30 CEAC CC(C)CC(C)(SCC(=O)O)SCC(=O)O 2160637 JQAVTQJLNGYHBY-UHFFFAOYSA-N 266.384 2.384 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccccn1 38580510 VGHPUFIBMDVHCT-JTQLQIEISA-N 266.297 2.122 0 30 CEAC CN(C)C=NC(=O)C(=O)Nc1ccc(Cl)cc1Cl 254758021 JEHFEDHHRDGGTD-UHFFFAOYSA-N 288.134 2.048 0 30 CEAC CCc1ccc2[nH]c(C(=O)N[C@@H](C)COC)cc2c1 171565 TZSCBJHWWRMFRC-JTQLQIEISA-N 260.337 2.495 0 30 CEAC C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)O)cn1 2265385285 BSSBMATWOSPAQF-MRVPVSSYSA-N 266.297 2.366 0 30 CEAC O=C(N[C@@H]1CCc2ccccc21)[C@H]1CC=CC[C@H]1C(=O)O 217839486 JDAGKGRAMJYSHG-RRFJBIMHSA-N 285.343 2.457 0 30 CEAC O=C(O)c1csc2nc(-c3cccs3)nn12 82555528 DXSJRQHKBZLSRO-UHFFFAOYSA-N 251.292 2.218 0 30 CEAC C[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 102756 IWUYXIZZGXHGFM-SSDOTTSWSA-N 273.210 2.485 0 30 CEAC CCOC(=O)[C@](O)(c1cccc(C)c1)C(F)(F)F 43465320 LYWUGNLZQFDOEQ-LLVKDONJSA-N 262.227 2.308 0 30 CEAC O=C(CSc1nnc2n1CCCN2)c1cccs1 160090 ZGWVCOQHPNTNAF-UHFFFAOYSA-N 280.378 2.130 0 30 CEAC CCCC[C@@](C)(COC(N)=O)COC(=O)NCCC 5821961 CQDBDTSGRAWSKF-ZDUSSCGKSA-N 274.361 2.414 0 30 CEAC O=C(O)c1oc(Br)nc1C(F)(F)F 118152572 HCMLCBSGXFOZIX-UHFFFAOYSA-N 259.965 2.154 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CCC[C@H]2C(=O)O)C1 101422016 WYOZADCWRIFDFW-AXFHLTTASA-N 269.341 2.354 0 30 CEAC Cc1noc(C)c1NC(=O)NCc1ccc2c(c1)OCO2 1034914 SZIBXABHZDFYCD-UHFFFAOYSA-N 289.291 2.342 0 30 CEAC O=C(CSCCOc1ccccc1)N1CCCC1 2158230 UBERNMTZLDGWCA-UHFFFAOYSA-N 265.378 2.421 0 30 CEAC O=C(O)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1 66054596 VARSMAOWCICFRU-UHFFFAOYSA-N 269.178 2.361 0 30 CEAC CC(C)(C)OC(=O)N1CCO[C@@H](COCC2CC2)C1 95883369 BKBCOFNZZMMMHB-GFCCVEGCSA-N 271.357 2.049 0 30 CEAC Cc1cccc(C)c1NC(=S)NCCC(=O)O 89926 LAUBPBVAFBNXJE-UHFFFAOYSA-N 252.339 2.065 0 30 CEAC O=C1NC(=O)C2(N1)c1ccccc1CCCc1ccccc12 2004484 XURNBUIOYGQEST-UHFFFAOYSA-N 292.338 2.258 0 30 CEAC O=C1NC(=O)C(=Cc2cccn2-c2nccs2)S1 2265279112 DGJRGKPFQJITQS-UHFFFAOYSA-N 277.330 2.258 0 30 CEAC Cc1ccc(C(=O)NC(=O)c2ccccc2O)cc1 157005 SKGOHGZRLCHLAD-UHFFFAOYSA-N 255.273 2.271 0 30 CEAC COc1ccc2n[nH]c(CC(=O)OC(C)(C)C)c2c1 221288403 UMLKIEIMHLCMBN-UHFFFAOYSA-N 262.309 2.456 0 30 CEAC COc1ccc(CN2CCC[C@@H](O)C(F)(F)C2)cc1 2265385529 GJVDEKFULPCYPA-CYBMUJFWSA-N 271.307 2.287 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](C2CC2)CC[C@@H]1C(=O)O 334163933 ZVUAUTKZKOZPQQ-VHSXEESVSA-N 255.314 2.249 0 30 CEAC Cc1nn(-c2ccc(F)cc2)c(=O)c2noc(C)c12 122703 FQPGFRPIPNVXAI-UHFFFAOYSA-N 259.240 2.130 0 30 CEAC Cc1c2cnn(C)c(=O)c2c(C)n1-c1ccccc1 114453 DDFMRQXGSDNYJY-UHFFFAOYSA-N 253.305 2.341 0 30 CEAC NNc1c(Br)cccc1Br 114684374 PFSHOKSZAZXWGZ-UHFFFAOYSA-N 265.936 2.497 0 30 CEAC O=C1NCCc2c(Br)cc(Cl)cc21 126782673 YJTCNFMDEZKMSO-UHFFFAOYSA-N 260.518 2.388 0 30 CEAC CCNc1cccc(C(=O)NC)c1Br 285173038 QVEBORMANBWTJN-UHFFFAOYSA-N 257.131 2.241 0 30 CEAC COC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1 2564435 GKFFBAQBFJBIDR-UHFFFAOYSA-N 258.273 2.403 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCN[C@H]2C1(C)C 693439938 MLXJBKHMCNCGQA-GMTAPVOTSA-N 254.374 2.288 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CC(=O)O)C[C@H]21 709968491 JSVBJWIXWVXQCH-IVZWLZJFSA-N 255.314 2.107 0 30 CEAC COCc1cc(=O)[nH]c2c1c(-c1cccs1)nn2C 8637165 KEMWXRIWHOQCHO-UHFFFAOYSA-N 275.333 2.137 0 30 CEAC CN(CC[C@@H]1CCNC1)C(=O)OCc1ccccc1 888084835 BUTRKWNIDCOLHD-ZDUSSCGKSA-N 262.353 2.255 0 30 CEAC O=C(N[C@@H]1CCc2c(Cl)cccc21)[C@H]1C[C@H]1C(=O)O 108491272 TVFGZWKEGBWVQO-HOSYDEDBSA-N 279.723 2.164 0 30 CEAC O=C1CCCS(=O)(=O)c2ccc(Br)cc21 37381677 TURVPMRZFWJFMG-UHFFFAOYSA-N 289.150 2.199 0 30 CEAC OCc1c(F)c(F)c(F)c(F)c1Br 86862150 ZFUAHFYDXOLWST-UHFFFAOYSA-N 258.996 2.498 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 675069953 JUEQEIOVZRBEEZ-AATLWQCWSA-N 255.314 2.010 0 30 CEAC O=S(=O)(O)n1c(-c2ccccc2)nc2ccccc21 114120918 LFXGFASDOSVLDJ-UHFFFAOYSA-N 274.301 2.354 0 30 CEAC Cc1ccc(C(=O)O)cc1NCC1CCN(C)CC1 54242001 SKIPTJPZALVFLY-UHFFFAOYSA-N 262.353 2.447 0 30 CEAC CS(=O)(=O)c1cc(C2CCOCC2)cc(Cl)n1 2265383465 GHUTYRLASRWPPT-UHFFFAOYSA-N 275.757 2.033 0 30 CEAC CC(C)(C)OC(=O)NCc1ccc(CN)c(F)c1 384074908 PXMAERVCPKJVEN-UHFFFAOYSA-N 254.305 2.309 0 30 CEAC CC(C)(C)OC(=O)NCCc1ccc(CC(=N)N)cc1 2599205 SFKOPNLWVRHZLB-UHFFFAOYSA-N 277.368 2.232 0 30 CEAC CCOC(=O)[C@H]1[C@H]2C[C@@H]([C@H](F)C2)N1C(=O)OC(C)(C)C 396175639 RFJDSPUGSXQDSN-CHWFTXMASA-N 287.331 2.286 0 30 CEAC O=C(O)CCNC(=S)Nc1cccc(C(F)(F)F)c1 89605 YIKKJTTWUSBHDA-UHFFFAOYSA-N 292.282 2.467 0 30 CEAC Cc1nc(-c2cnn3c(C)cc(C(F)(F)F)nc23)no1 124822 RLXPQJSRZCEPGZ-UHFFFAOYSA-N 283.213 2.415 0 30 CEAC CC(C)(C)OC(=O)N[C@H](CN)c1ccc(F)cc1 19420697 SQWIBRSBKJQGBW-LLVKDONJSA-N 254.305 2.350 0 30 CEAC O=C(Nc1ccc2n(c1=O)CCC2)c1ccccc1 26897314 JFGXOTQXLVDMGQ-UHFFFAOYSA-N 254.289 2.047 0 30 CEAC CCC(=O)NC/C=C1/CCc2ccc3c(c21)CCO3 114603943 MJDOFSUSDKUIOZ-GHXNOFRVSA-N 257.333 2.477 0 30 CEAC in-vitro N[C@H](C(=O)O)c1ccc(Cl)c(Br)c1 116924260 QLWNCGDGZWDVLB-ZETCQYMHSA-N 264.506 2.187 0 30 CEAC COC(=O)c1ccc(CC#N)c(Br)c1 59086825 ZXLHEWBQVCVVAQ-UHFFFAOYSA-N 254.083 2.302 0 30 CEAC COC(=O)[C@@H]1ON(C)[C@H]2c3c(ccc4ccccc34)OC[C@H]12 3883900 HDHXCAZJYGUQIE-APHBMKBZSA-N 299.326 2.308 0 30 CEAC OCc1ccc(Br)cc1-n1cccn1 36670810 VKZWOXCWMJIEPQ-UHFFFAOYSA-N 253.099 2.127 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cnccn2)C1 95084542 QXJMTEKBJKYFBI-LLVKDONJSA-N 278.356 2.288 0 30 CEAC O=C1NCCC[C@@H]1c1ccccc1Br 96883882 BOUNIHGQERHMLL-SECBINFHSA-N 254.127 2.443 0 30 CEAC Cc1c(C(=O)Oc2ccc(Cl)cc2)n(C)oc1=O 121811 AIVDQIIJOVMAEP-UHFFFAOYSA-N 267.668 2.159 0 30 CEAC O=C(OCc1ccccc1)N1CC2(CC[C@H](O)C2)C1 307132007 UZENDBCQBBSJMP-ZDUSSCGKSA-N 261.321 2.170 0 30 CEAC O=C1CC2(COC2)c2cc(Br)ccc21 2265382656 QMWWXBQOSAFAHC-UHFFFAOYSA-N 253.095 2.304 0 30 CEAC O=C(NCc1ccccn1)c1cccc(C(F)(F)F)n1 126998 GXANXJHMDUQFMF-UHFFFAOYSA-N 281.237 2.425 0 30 CEAC CC[C@@H](C)Oc1c(OC)cc(CCN)cc1OC 37721963 KBNIGQYPTGSZSI-SNVBAGLBSA-N 253.342 2.382 0 30 CEAC CCOC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 39044263 NESNGXUQCAJWNN-HBNTYKKESA-N 269.341 2.338 0 30 CEAC Oc1c(O)c(O)c2nc3cc(Cl)ccc3nc2c1O 32270459 MPWDCPYXRAZCIG-UHFFFAOYSA-N 278.651 2.259 0 30 CEAC O=S(=O)(CC1CC1)c1nc2ccccc2s1 35570130 MWPRIXMMTALSPS-UHFFFAOYSA-N 253.348 2.480 0 30 CEAC CN1C(=O)CN[C@H](c2ccccc2)c2ccccc21 84590254 QMZATPDNVWNTGO-MRXNPFEDSA-N 252.317 2.342 0 30 CEAC COC[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)O 84639631 HOAMUXJQCGJKPN-VIFPVBQESA-N 265.092 2.472 0 30 CEAC O=C(O)[C@H]1CCNc2ccc(Br)cc21 96957703 RKJCJNABTHRXAU-ZETCQYMHSA-N 256.099 2.433 0 30 CEAC CN1OC[C@H]2COc3ccc(Br)cc3[C@H]21 6625893 IKMNZXXFKNSMLB-HQJQHLMTSA-N 270.126 2.376 0 30 CEAC CCOC(=O)c1c(C)c2c(=O)[nH]cnc2n1-c1ccccc1 15923517 IAKXLMFNPZKCAN-UHFFFAOYSA-N 297.314 2.199 0 30 CEAC COc1ccccc1NC(=O)c1ccc(O)cc1O 96347148 UITHTODMDGCMNZ-UHFFFAOYSA-N 259.261 2.359 0 30 CEAC O=C(C=Cc1cnc2ccccc2c1)N1CCOCC1 2265279233 RLENEDMJAQCRNI-UHFFFAOYSA-N 268.316 2.107 0 30 CEAC Oc1nc2ccc(I)c(F)c2o1 2265383609 DQOOJJDELWYGPK-UHFFFAOYSA-N 279.008 2.277 0 30 CEAC CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H]1C[C@H]2CC[C@H]1C2 300946149 OJSPXNIKKISMPL-NAKRPEOUSA-N 269.341 2.401 0 30 CEAC O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCN1 35222623 CBVIFGFPYIZKJG-LLVKDONJSA-N 288.269 2.318 0 30 CEAC CC(C)(C)OC(=O)NCc1cn2cccc(C(=O)O)c2n1 2265347398 CFIDRIDAMHIUBN-UHFFFAOYSA-N 291.307 2.057 0 30 CEAC CC(C)(C)OC(=O)c1c[nH]nc1[C@@H]1CCCCN1 756998979 QPVKTRCANQKRSE-JTQLQIEISA-N 251.330 2.180 0 30 CEAC CCOC(=O)CNC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 38613729 GWRCTWAPTXBPHW-YNEHKIRRSA-N 269.385 2.374 0 30 CEAC endogenous,in-man O=C1N=C(O)[C@](c2ccc(O)cc2)(c2cccs2)N1 33868692 OQJYYKGWJGYIPA-ZDUSSCGKSA-N 274.301 2.377 0 30 CEAC OCC12CNCC(c3cccc(C(F)(F)F)c3)(C1)C2 2265385039 RHLPDSQCEGLGDP-UHFFFAOYSA-N 271.282 2.319 0 30 CEAC CCc1cc2c(OC(=O)N(C)C)ncnc2s1 80440 KINXUZVFVVICIP-UHFFFAOYSA-N 251.311 2.314 0 30 CEAC Nc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)cn1 37673238 VOLMFMCSPPJNPV-UHFFFAOYSA-N 289.770 2.039 0 30 CEAC C[C@H]1CC(=O)c2cc(S(=O)(=O)O)sc2S1 137706269 URRUPLXHINNWCE-BYPYZUCNSA-N 264.349 2.062 0 30 CEAC O=C(NCc1ccc2c(c1)OCO2)c1ccsc1 147398 APHVPMZGQGCOOV-UHFFFAOYSA-N 261.302 2.407 0 30 CEAC C[C@@H]1C[C@@H](O)c2ncnc(NC(=O)OC(C)(C)C)c21 307127207 DKXDHBRDCJCGFH-HTQZYQBOSA-N 265.313 2.364 0 30 CEAC COC(=O)/C(C#N)=C(/Nc1ccc(OC)cc1)SC 34476187 PGHNBMGEMHGQMM-QXMHVHEDSA-N 278.333 2.378 0 30 CEAC c1cncc(-c2cc(-c3nc(-c4cnccn4)no3)no2)c1 225462965 GWOIRSHVPYNOFF-UHFFFAOYSA-N 292.258 2.244 0 30 CEAC COC(=O)[C@@H](N)c1ccc(F)c(C(F)(F)F)c1 95639440 PHQJJUUWHYPWGD-QMMMGPOBSA-N 251.179 2.017 0 30 CEAC COc1ccc(-c2cc(C(=O)O)nn2C)c(Cl)c1 71598709 XCWHSEXWGBPTJB-UHFFFAOYSA-N 266.684 2.447 0 30 CEAC C[C@H]1[C@H](c2ccccc2)OC(=O)N1C1CCNCC1 206419826 VODMJCLCTFUITG-SMDDNHRTSA-N 260.337 2.320 0 30 CEAC CC(C)(C)OC(=O)NC1(CN)CCC(F)(F)CC1 688325229 VFILIGMFQLCSOA-UHFFFAOYSA-N 264.316 2.418 0 30 CEAC COC(=O)[C@H]1[C@@H](c2ccc(N)cc2)C[C@@H]2CC[C@H]1N2C 13454945 NFYQZRCMOMKICY-YJNKXOJESA-N 274.364 2.008 0 30 CEAC COc1ccc(C(=O)n2ncc3cc(N)ccc32)cc1 3614907 JCVZUVXLOGODKV-UHFFFAOYSA-N 267.288 2.316 0 30 CEAC O=S(=O)(O)c1cc(Cl)cc2nc(S)oc12 33505867 XOEYLUSDISKMGY-UHFFFAOYSA-N 265.699 2.017 0 30 CEAC C[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H]1C(=O)O 95931450 LQRFFFUWTFNYFD-ZYHUDNBSSA-N 263.293 2.118 0 30 CEAC COc1cc(NC(=O)Nc2ccnn2C)cc(OC)c1 116597 JDCGJZGOQLLFPQ-UHFFFAOYSA-N 276.296 2.081 0 30 CEAC CN1C(c2ccccc2)=NCc2ccccc2S1(=O)=O 31599840 ZBKLECGMEYUWQJ-UHFFFAOYSA-N 286.356 2.268 0 30 CEAC NCc1ccc2c(c1)OCC(F)(F)C(F)(F)CO2 2265385389 QXZNZESLTDJELV-UHFFFAOYSA-N 265.206 2.187 0 30 CEAC CC(C)(C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 19393716 ADLNTEZHEXTYPQ-LBPRGKRZSA-N 261.321 2.040 0 30 CEAC Cc1ccc(N)c(S(=O)(=O)Nc2ccccc2)c1 33606167 BIXYENQGVAOIJE-UHFFFAOYSA-N 262.334 2.378 0 30 CEAC CCc1ccc(C)nc1NC(=O)c1snnc1C 110781 KTYCCFMIRSRVFB-UHFFFAOYSA-N 262.338 2.365 0 30 CEAC Cn1nc(-c2ccc(Br)s2)cc1N 36938204 FMUXQMTZGTXPDB-UHFFFAOYSA-N 258.144 2.493 0 30 CEAC in-vitro CN1CCC[C@]2(CCc3cc(C(=O)O)ccc3C2)C1=O 585164206 VXAFHNQUFHRSNZ-MRXNPFEDSA-N 273.332 2.112 0 30 CEAC O[C@@H](CSc1nncn1-c1ccccc1)C(F)(F)F 1034423 FMERAVGIQJWMAH-VIFPVBQESA-N 289.282 2.283 0 30 CEAC O=C(Cc1cc2ccccc2oc1=O)N1CCCCC1 2017407 CQGMUUOGAPIUAY-UHFFFAOYSA-N 271.316 2.348 0 30 CEAC CC(C)NCc1nc(-c2ccc3c(c2)OCO3)c[nH]1 37610433 QBKLFTUYWURNSZ-UHFFFAOYSA-N 259.309 2.303 0 30 CEAC [C-]#[N+]/C(Cl)=C\[C@]1(OC(C)=O)C(=O)Nc2ccccc21 85594520 NFAZQDQNOPUWCO-LWMSPQMPSA-N 276.679 2.397 0 30 CEAC CON=Cc1c(C(=O)OC)nn(-c2ccccc2)c1Cl 254478630 FIIRKKYAMNVCAS-UHFFFAOYSA-N 293.710 2.293 0 30 CEAC Cc1ccc(N2C(=O)c3ccncc3C2=O)cc1C 102077 GLUHRZOKQAQEOK-UHFFFAOYSA-N 252.273 2.499 0 30 CEAC CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)F)C(=O)O 504428936 YDLHWKNKFAPLAJ-MRVPVSSYSA-N 263.309 2.445 0 30 CEAC COc1ccc(Cl)c(-c2cc(C(=O)O)nn2C)c1 258666602 SVJWQNDCDLBBAS-UHFFFAOYSA-N 266.684 2.447 0 30 CEAC C1=C[C@@H]2[C@H](C1)[C@H]1N=N[C@H]2[C@H]2[C@@H]1[C@H]1C[C@H]2[C@@H]2ON=C[C@H]21 252595496 CAZOBHQZGCRZEA-CDRIAJDVSA-N 255.321 2.278 0 30 CEAC CC(C)(C)OC(=O)N1CCN(C(=O)c2cccs2)CC1 66549 HQVOCUUMNJZXKD-UHFFFAOYSA-N 296.392 2.441 0 30 CEAC CC(C)(C)OCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 133086580 CLZGRHJSOQWDPX-VIFPVBQESA-N 275.345 2.170 0 30 CEAC CCCS(=O)(=O)Cc1nnc(-c2cccs2)o1 120530 SPHNXLUXJVUHOY-UHFFFAOYSA-N 272.351 2.123 0 30 CEAC CCOC(=O)[C@H]1C[C@@]12CCN(Cc1ccccc1)C2 104853503 FCWLRKKKNGDVQE-GDBMZVCRSA-N 259.349 2.462 0 30 CEAC CC(=O)[C@@H]1[C@H](O)C[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@H]12 252265569 NQHGSTTYLUUHTC-LACSLYJWSA-N 254.370 2.006 0 30 CEAC CCCc1nc(C(=O)OCC)c([C@@](C)(O)CC)[nH]1 34459097 UDEWGNFXYCGRJV-ZDUSSCGKSA-N 254.330 2.156 0 30 CEAC in-vitro O=C1CSc2nnc(-c3ccc(Cl)cc3)n21 1036545 LZEWSLQOSUHHKU-UHFFFAOYSA-N 251.698 2.344 0 30 CEAC COc1cc2c(cc1OC)[C@@H](CCCCO)NCC2 32099019 KHQQENQBSOUCAX-CYBMUJFWSA-N 265.353 2.053 0 30 CEAC CC(C)(C)OC(=O)N1CCc2ncc(O)cc2C1 95760867 KGHGKHAUTOHDTA-UHFFFAOYSA-N 250.298 2.080 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](O)C(F)(F)CC1 259651539 HNYMUDLVJNDQSA-QMMMGPOBSA-N 251.273 2.014 0 30 CEAC O=C(O)c1cc(Cl)ncc1OCC(F)(F)F 950757190 FUSUVCUSOMVOEC-UHFFFAOYSA-N 255.579 2.374 0 30 CEAC CN1C(=O)CN(C2CCCCC2)C(=O)c2ccccc21 144238 OGWXMLBQWRVGHL-UHFFFAOYSA-N 272.348 2.438 0 30 CEAC O=C1Nc2ccc(Br)cc2N2CCC[C@@H]12 86158666 OXWUVWWEFWTUFB-VIFPVBQESA-N 267.126 2.370 0 30 CEAC CC(C)(C)OC(=O)N[C@H](CC1CCSCC1)C(=O)O 2583459 UFFZYQPOZQWLBC-SNVBAGLBSA-N 289.397 2.498 0 30 CEAC CCc1ccnc(NS(=O)(=O)c2ccccc2)c1 151861 FOUBXGJHIGMUOU-UHFFFAOYSA-N 262.334 2.445 0 30 CEAC O=C(NCc1ccncc1)c1ccc2snnc2c1 171487 CHWQKOSZCQDZCR-UHFFFAOYSA-N 270.317 2.016 0 30 CEAC CNc1ncnc2c1cnn2Cc1cccc(C)c1 71192940 AVQFPIFUTVMMOO-UHFFFAOYSA-N 253.309 2.225 0 30 CEAC Cc1ccc(C2(O)CN(C(=O)OC(C)(C)C)C2)cc1 89643925 CDEGRNLYLWHHHN-UHFFFAOYSA-N 263.337 2.433 0 30 CEAC CC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1 95830743 DMGHMNCRYGWVFF-UHFFFAOYSA-N 292.261 2.048 0 30 CEAC O=C(O)C1(c2cc(Br)ccc2O)CC1 84607568 BLIATHATFHYYPI-UHFFFAOYSA-N 257.083 2.271 0 30 CEAC COC(=O)[C@@H](N)Cc1cc(Cl)sc1Cl 95785611 YQICUKFRYZLYQE-YFKPBYRVSA-N 254.138 2.098 0 30 CEAC CN(C)CCNCc1cc(Br)ccc1F 22143989 KHQXWSWUQNEJEV-UHFFFAOYSA-N 275.165 2.239 0 30 CEAC N[C@H]1CC[C@H](Oc2ccc(Br)cn2)CC1 299892164 PNSRTVQVIJKVEL-MGCOHNPYSA-N 271.158 2.493 0 30 CEAC CC(C)(C)OC(=O)NCc1cn2cc(C(=O)O)ccc2n1 2265347404 WVEJBLIKKXLTEX-UHFFFAOYSA-N 291.307 2.057 0 30 CEAC COc1ccc(OC(=O)c2ccc3nonc3c2)cc1 171003 ZFBPJJSPZABAHG-UHFFFAOYSA-N 270.244 2.451 0 30 CEAC CC(C)NC(C)(C)COC(=O)c1cccc(N)c1 604934869 FRAAFMDTGWRRDU-UHFFFAOYSA-N 250.342 2.202 0 30 CEAC CSCC[C@@H](CC(=O)O)NC(=O)c1cccs1 4344786 RHDVBMYNVYBJJT-QMMMGPOBSA-N 273.379 2.074 0 30 CEAC O=C1CCN(C(=O)C(F)(F)F)Cc2ccccc21 224673491 ABDLUMQTSCWUQF-UHFFFAOYSA-N 257.211 2.164 0 30 CEAC Cn1c(C[C@H]2Sc3ccccc3NC2=O)n[nH]c1=S 169335 JCYXAMDLMAPPQP-SECBINFHSA-N 292.389 2.133 0 30 CEAC CCOC(=O)C1=C([C@@H](C)c2ccccc2)NC(=O)N[C@H]1C 146942 IHGQHXFNBUCFCE-QWRGUYRKSA-N 288.347 2.309 0 30 CEAC Cc1n[nH]c(=O)c2noc(/C=C/c3ccsc3)c12 132174 UWBSDPGLEIJNOS-NSCUHMNNSA-N 259.290 2.451 0 30 CEAC O=C(NN1C(=O)c2ccccc2C1=O)OCc1ccccc1 2511797 MAKDEFXINYWGFH-UHFFFAOYSA-N 296.282 2.124 0 30 CEAC O=C(O)c1ccccc1[S@@](=O)c1ccccc1CCO 8553527 ZPOBTIITPIAJFL-HXUWFJFHSA-N 290.340 2.086 0 30 CEAC CCOC(=O)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1 5857026 UWQQUFIYYKCZGB-KOLCDFICSA-N 256.685 2.088 0 30 CEAC CCCCCC(=O)[C@@H](CC(=O)OCC)C(=O)OCC 5782379 LSEFBDGMLXFCDN-LLVKDONJSA-N 272.341 2.268 0 30 CEAC CCOc1cc(C(C)(C)CO)ccc1C(=O)OC 44138447 IHCXOGFCIOLSOP-UHFFFAOYSA-N 252.310 2.142 0 30 CEAC Nc1ccccc1OCCN1CC(=O)Nc2ccccc21 36671492 XTLCODUXKKUORD-UHFFFAOYSA-N 283.331 2.106 0 30 CEAC in-vitro CCOC(=O)COc1ccc(-c2csc(N)n2)cc1 11566733 PREYJPWSPRWJOT-UHFFFAOYSA-N 278.333 2.334 0 30 CEAC C[C@]12C[C@@H](O)[C@@H]3[C@H](C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 2265352028 YKRSODWTTPYVQH-HRUZVQMASA-N 290.403 2.460 0 30 CEAC CCOC(=O)[C@@H]1CCN(Cc2ccccc2)CCCC1=O 299805263 GLLKNHGGZDESFR-OAHLLOKOSA-N 289.375 2.421 0 30 CEAC O=C(Nc1ccc(Br)cc1)[C@H]1CCCNC1 12957294 DZJJDGDAVXYXJX-VIFPVBQESA-N 283.169 2.387 0 30 CEAC CC(C)COC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 73869138 OOKHLDJPLKKSLZ-UHFFFAOYSA-N 286.372 2.332 0 30 CEAC CCN(CC)CCOC(=O)c1cccc(OC)c1OC 5847801 DAUWPUQXZNSGSG-UHFFFAOYSA-N 281.352 2.202 0 30 CEAC Cc1cn2cc(-c3cccnc3)cc(C(=O)O)c2n1 607717039 GASBTOSFBZIBQG-UHFFFAOYSA-N 253.261 2.403 0 30 CEAC COc1ccc(-c2ccc(C(=O)O)nc2)cc1OC 41344021 FCBIGZWGSVASRC-UHFFFAOYSA-N 259.261 2.464 0 30 CEAC N=c1nc(-c2ccc(F)cc2)c(Br)c[nH]1 498045327 MFZZTSUTBHACTD-UHFFFAOYSA-N 268.089 2.458 0 30 CEAC FC(F)(F)C[C@H]1CN(Cc2ccccc2)CCN1 215684456 BOTLGUSCALHYGW-LBPRGKRZSA-N 258.287 2.413 0 30 CEAC CC(C)(C)OC(=O)N1CCC(N2CCC[C@@H](CO)C2)CC1 90728186 GAZKWALREOBSLR-CYBMUJFWSA-N 298.427 2.090 0 30 CEAC CCOC(=O)C(F)(F)c1nc(F)c(F)cc1F 2265384443 CFHDIIYVQMFHNK-UHFFFAOYSA-N 255.142 2.154 0 30 CEAC CC[C@@H](C)[C@](C)(COC(N)=O)COC(=O)NC(C)C 1999415 CBDPCXYQNVDTMW-ZWNOBZJWSA-N 274.361 2.269 0 30 CEAC in-man CN(C)CCN(C)c1ccc(Br)cc1N 82539780 PRKYYUGBKHGOCJ-UHFFFAOYSA-N 272.190 2.029 0 30 CEAC N[C@H]1COC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O 1857792991 XBAMOKTZAXSFKS-FABXCBLPSA-N 298.342 2.017 0 30 CEAC COc1cccc(Nc2ccc(N)cc2S(=O)(=O)O)c1 299803581 ZXAVVYCSOJGKEA-UHFFFAOYSA-N 294.332 2.268 0 30 CEAC CN(C)Cc1cc2ncccc2n1C1CCNCC1 607717034 BZXPTRPPRXCNEF-UHFFFAOYSA-N 258.369 2.022 0 30 CEAC O[C@H](CNC[C@H]1COc2ccccc2O1)c1ccccc1 157197 ZIRCLALNWOIALZ-LSDHHAIUSA-N 285.343 2.150 0 30 CEAC COc1cccc(-c2nc(C(F)(F)F)no2)c1O 138286368 HVQMWLLNDFQLBC-UHFFFAOYSA-N 260.171 2.470 0 30 CEAC COC(=O)C(F)(F)c1ccc(Br)cn1 95764113 LBXUWQTYYDAJHD-UHFFFAOYSA-N 266.041 2.109 0 30 CEAC CCCS(=O)(=O)Nc1ccccc1[C@H](C)NC 35645003 NJUSVIUNIXKBPK-JTQLQIEISA-N 256.371 2.119 0 30 CEAC in-vitro CCOCC(=O)c1nc2c(=O)[nH]c3ccc(C)cc3n2c1C 66349402 QDRKWOMXIXZJPX-UHFFFAOYSA-N 299.330 2.012 0 30 CEAC COC(=O)[C@H](Cc1ccsc1)NC(=O)OC(C)(C)C 698513699 IXFPARURSYCXJU-JTQLQIEISA-N 285.365 2.357 0 30 CEAC O=C(OCc1ccccc1)N1CCN[C@H](C2CC2)C1 2265381502 SUAYAXMXKOTDQP-AWEZNQCLSA-N 260.337 2.007 0 30 CEAC COC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1 247866002 XSLQHUFDALMSHE-VTPLQMEGSA-N 271.316 2.236 0 30 CEAC O=C(O)CCCC(=O)N[C@@H]1CCCc2ccccc21 4325187 BFSKGGPVYOCGLR-CYBMUJFWSA-N 261.321 2.435 0 30 CEAC COC(=O)[C@@H](O)c1ccc(Cl)cc1Br 126533458 IONCLNPDYMCKNA-QMMMGPOBSA-N 279.517 2.309 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](CO)CC[C@@H]2[C@H]1C2(F)F 2265385392 QZZOLDWDWBEHAR-YIZRAAEISA-N 263.284 2.012 0 30 CEAC Clc1ccc(-c2cnn(C[C@H]3CCNC3)n2)cc1 2265385636 UMQKHHDQLKRLBH-JTQLQIEISA-N 262.744 2.208 0 30 CEAC CCOC(=O)[C@@H](CC(=O)c1ccc(OC)cc1)C(C)=O 39350426 HJAAQGWRRFXKKN-ZDUSSCGKSA-N 278.304 2.036 0 30 CEAC O=C(O)c1cc2ccc(Br)cc2c(=O)o1 125277288 YAPSJYCJCTVIQZ-UHFFFAOYSA-N 269.050 2.254 0 30 CEAC COC(=O)[C@@H]1CCN(Cc2ccccc2)Cc2ccnn21 503852520 AFXGTDJTYCFXSZ-HNNXBMFYSA-N 285.347 2.003 0 30 CEAC CC(C)(C)OC(=O)N1CC(O)(c2cccc(F)c2)C1 89644055 WSHYENZDOYKJHS-UHFFFAOYSA-N 267.300 2.264 0 30 CEAC O=C(O)CSCC(=O)Nc1cccc2c1CCCC2 4371406 CRTVIFRVUYLKOQ-UHFFFAOYSA-N 279.361 2.322 0 30 CEAC O=C(O)CNc1c(Cl)cc(Cl)cc1C(=O)O 38605108 PYWMPIZOGDCOIQ-UHFFFAOYSA-N 264.064 2.188 0 30 CEAC COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1 17189507 HJUAEWHFTPLOTQ-UHFFFAOYSA-N 290.344 2.008 0 30 CEAC O=C1CSCC(=O)N1c1cc(Cl)c(O)c(Cl)c1 128497052 LCVWMHIHJUZAHE-UHFFFAOYSA-N 292.143 2.305 0 30 CEAC COC(=O)c1scc(C)c1NC(=O)CN1CCCCC1 82031 UVLYGHYFHUWNGS-UHFFFAOYSA-N 296.392 2.268 0 30 CEAC O=C(OCc1ccccc1)N1CCN[C@@H](C(F)(F)F)C1 95930428 STXURQFQMWACFK-LLVKDONJSA-N 288.269 2.159 0 30 CEAC O=C1N(c2cccs2)c2cccnc2C12CCNCC2 953103422 DTHPGYUTLNFZAS-UHFFFAOYSA-N 285.372 2.443 0 30 CEAC O=C(O)[C@@]1(Cc2cccc(Br)c2)CCOC1 54634216 GDDKJOTURTWOQD-GFCCVEGCSA-N 285.137 2.483 0 30 CEAC O=C1CS[C@@H](c2cccnc2)N1CCc1ccccn1 99749 CGLSDQGDMOOIGN-HNNXBMFYSA-N 285.372 2.293 0 30 CEAC Cc1cc(C(C)(C)C)ccc1NC(=O)COCC(=O)O 146062 MAPHSKHCBKFEQE-UHFFFAOYSA-N 279.336 2.332 0 30 CEAC COC(=O)c1cc(I)cs1 140520138 DDZNQPCPVFNEIC-UHFFFAOYSA-N 268.075 2.139 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CC1(F)F)C(=O)O 95774529 QEKPZMYIMVXKQB-RQJHMYQMSA-N 265.256 2.010 0 30 CEAC Cc1cccc([C@H](NCc2ccccc2)C(N)=O)c1 37941207 IPBCAHHPJSZJBX-HNNXBMFYSA-N 254.333 2.311 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)CC2(CCC2)C1 253183674 LRKYQSDZSDKPPC-SNVBAGLBSA-N 269.341 2.498 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](C(=O)O)[C@@H]2C1 68577187 WYOZADCWRIFDFW-HBNTYKKESA-N 269.341 2.354 0 30 CEAC Cc1nc(Cl)cnc1I 95762190 YPISWZZDNZVIKR-UHFFFAOYSA-N 254.458 2.043 0 30 CEAC c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1 72557243 CNTAVSLIHNKZTF-UHFFFAOYSA-N 256.309 2.057 0 30 CEAC CCOC(=O)[C@@H]1Cc2nc(C(F)(F)F)ccc2C1=O 2265378669 NRNSMBOKZRWICV-SSDOTTSWSA-N 273.210 2.019 0 30 CEAC C=CS(=O)(=O)c1cc(S(=O)(=O)C=C)c(C)cc1C 33637356 BGZJIFCQZFIYJP-UHFFFAOYSA-N 286.374 2.138 0 30 CEAC O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O 97901 OENCJIAWGLCCKK-UHFFFAOYSA-N 277.279 2.347 0 30 CEAC C[C@H]1CC(C)(C)OB(OB2O[C@H](C)CC(C)(C)O2)O1 195761406 KUZYYSNLEIAJQJ-AOOOYVTPSA-N 269.943 2.181 0 30 CEAC CC(C)(C)OC(=O)N[C@H]1CCCc2c(C(=O)O)n[nH]c21 2265383736 ZKARWCMPLSVOFX-QMMMGPOBSA-N 281.312 2.010 0 30 CEAC CCOC(=O)[C@H]1CCN(Cc2ccccc2)CCCC1=O 299805262 GLLKNHGGZDESFR-HNNXBMFYSA-N 289.375 2.421 0 30 CEAC CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1CCO 18167542 NBQNBISPSRUQOO-NSHDSACASA-N 252.701 2.061 0 30 CEAC O=C(O)[C@@H](O)c1ccc(Cl)cc1Br 89064412 MQOIIGBCPDYTDH-ZETCQYMHSA-N 265.490 2.221 0 30 CEAC O=c1[nH][nH]c(=S)n1-c1cccc(C(F)(F)F)c1 171969 MKUCSZWKTPEFFQ-UHFFFAOYSA-N 261.228 2.242 0 30 CEAC C[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)NC1CC1 39073383 UUPRZHFECHMJNI-WFASDCNBSA-N 258.365 2.033 0 30 CEAC BrC(Br)(Br)[C@@H]1CO1 146554967 RETDLDJGIUNIEJ-REOHCLBHSA-N 294.768 2.224 0 30 CEAC Cn1ccnc1SCNC(=O)Nc1ccccc1 5116730 QXCZFWVPQNGGCS-UHFFFAOYSA-N 262.338 2.291 0 30 CEAC NCc1ccc(Br)cc1-n1cccn1 36670695 XFOIRBTYRNEWCR-UHFFFAOYSA-N 252.115 2.094 0 30 CEAC CC(=O)OC1CCC(NCc2ccccc2N)CC1 33610910 VPLIJSLZFWAYSJ-UHFFFAOYSA-N 262.353 2.233 0 30 CEAC CC(C)(C)OC(=O)N1CCCc2ncc(C(=O)O)cc21 95774328 OMSUZKUZWVGJHN-UHFFFAOYSA-N 278.308 2.468 0 30 CEAC CCc1ccc2c(c1)NC(=O)[C@]2(O)CC(=O)c1ccccn1 15042419 ROVCRPPOPYOLNN-KRWDZBQOSA-N 296.326 2.057 0 30 CEAC CCCCOC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 222920795 LEXIHPWYDPXDQY-HNNXBMFYSA-N 277.364 2.231 0 30 CEAC COc1ccc(-c2cc(C(=O)O)cn3ncnc23)cc1F 953042241 DDFZWACEQKETRH-UHFFFAOYSA-N 287.250 2.242 0 30 CEAC CC1(C)C[C@H](NC(=O)c2ccccc2Cl)C(=O)O1 2033483 ZDSBOBNPOABMNK-JTQLQIEISA-N 267.712 2.164 0 30 CEAC CN(C(=O)OC(C)(C)C)C1CCN(C2CCNCC2)CC1 79062046 DMLOZFCHMGPFGT-UHFFFAOYSA-N 297.443 2.070 0 30 CEAC COC(=O)[C@H](CCC(F)F)NC(=O)OC(C)(C)C 95483585 MVVRNSOKIBQXBA-ZETCQYMHSA-N 267.272 2.098 0 30 CEAC CSCC[C@H]1C(=O)N(c2ccccc2)C(=O)N1C(C)=O 33604962 MRYWQGMOWDVQGJ-LBPRGKRZSA-N 292.360 2.123 0 30 CEAC CC(C)(C)OC(=O)N1CCc2ccnc(C(=O)O)c2C1 958536292 IIKTXGLLALTAFL-UHFFFAOYSA-N 278.308 2.073 0 30 CEAC O=C1c2ccccc2N[C@H]1[C@H]1Nc2ccccc2C1=O 100488581 JOTRJOWDDJFASP-OKILXGFUSA-N 264.284 2.340 0 30 CEAC COc1ccc(Br)cc1[S@](C)(=N)=O 695047886 BOTNRJQOVVGTMS-CYBMUJFWSA-N 264.144 2.493 0 30 CEAC C(=C/c1nnnn1-c1ccccc1)\NCc1ccccc1 4300938 WRNNRADBIFAPGW-VAWYXSNFSA-N 277.331 2.423 0 30 CEAC COC(CNC(=S)Nc1ccccc1Cl)OC 141427 YKQWBLYWDBAEKI-UHFFFAOYSA-N 274.773 2.245 0 30 CEAC O=S(=O)(Cc1ccc2nonc2c1)c1cccs1 168942 JHKKJCJHSZTIOO-UHFFFAOYSA-N 280.330 2.258 0 30 CEAC CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1c1ccccc1 95642766 PHWMOIAGYRHMSI-LBPRGKRZSA-N 276.336 2.095 0 30 CEAC CCC[C@@](C(N)=O)(c1ccccc1)c1cnccn1 96336336 SRIVTZZFEWOKMN-OAHLLOKOSA-N 255.321 2.048 0 30 CEAC COC(=O)c1sc(C(=O)O)cc1C(F)(F)F 91692264 JCYDFTMULJQTNS-UHFFFAOYSA-N 254.185 2.252 0 30 CEAC CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](CC(=O)O)C1 503841392 GAUSFGRPMAHWID-LLVKDONJSA-N 294.351 2.330 0 30 CEAC CC(C)(C)OC(=O)[C@H](CC[C@@H](N)C(=O)O)c1ccccc1 55167756 OFMQRNWJGVYFNT-CHWSQXEVSA-N 293.363 2.304 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](c2csc(N)n2)C1 44029212 VNWLZFBHJWBKQU-QMMMGPOBSA-N 269.370 2.450 0 30 CEAC NCc1cc(I)cc(F)c1F 238664566 FMKODVVNVYJVJU-UHFFFAOYSA-N 269.032 2.028 0 30 CEAC COC(=O)c1ccc2nc(Br)[nH]c2c1 26507076 SJQDLFZJEDNQNL-UHFFFAOYSA-N 255.071 2.112 0 30 CEAC CC(C)n1nc(Br)c(Br)n1 842086788 GEDQOGVHABXOAE-UHFFFAOYSA-N 268.940 2.384 0 30 CEAC CC(C)(C)OC(=O)N(CCN)OCc1ccccc1 725268747 QVRPEJZTHLFWLN-UHFFFAOYSA-N 266.341 2.314 0 30 CEAC OC1CCN(C(=S)NC2CCCCCCC2)CC1 66329 XFPNBONFQYBPTD-UHFFFAOYSA-N 270.442 2.431 0 30 CEAC CN(C)CCN(Cc1ccccc1)c1ncccn1 1846574 SVBNKTIROPNBQH-UHFFFAOYSA-N 256.353 2.045 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](N)C[C@@H]2C1 76695207 AFDHNDBUQDWTBZ-TUAOUCFPSA-N 254.374 2.371 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 238183202 VFVUFLTVLPGEJW-KWQFWETISA-N 280.290 2.005 0 30 CEAC COC(=O)CSc1ccc(O[C@H](C)CN(C)C)cc1 205051500 KPQRCTMFQNPZIQ-LLVKDONJSA-N 283.393 2.281 0 30 CEAC O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1c1ccccc1 3630907 WMRDYTQKCWQUCE-CYBMUJFWSA-N 280.283 2.053 0 30 CEAC COC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 34429298 AWNIRXMMYAJMNG-VHSXEESVSA-N 257.330 2.243 0 30 CEAC COC(=O)c1cnc(-c2cc(F)ccc2F)nc1 35323373 KMDZDNAPCIQWOM-UHFFFAOYSA-N 250.204 2.208 0 30 CEAC CCOC(=O)N1CC[C@H](NC(=O)OCc2ccccc2)C1 148354990 GSADEPXJMWKFRS-ZDUSSCGKSA-N 292.335 2.144 0 30 CEAC CCOC(=O)[C@H]1[C@@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 79030518 SFCFZVQNPNMCIT-MXWKQRLJSA-N 269.341 2.195 0 30 CEAC COc1cc(CCC(=O)O)ccc1Br 84610721 NULWWSYEPIIBHI-UHFFFAOYSA-N 259.099 2.475 0 30 CEAC COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(C)C 238856585 WIUCVCPUXZNLBA-QWRGUYRKSA-N 271.357 2.441 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)O)co1 381613055 VSNMUDHKMKZIBF-VIFPVBQESA-N 282.296 2.445 0 30 CEAC CC1=CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 102759 SUWLRDGOOQHISD-UHFFFAOYSA-N 271.194 2.405 0 30 CEAC CN(C)C=CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 95908411 NWAKHTZENIYBGL-UHFFFAOYSA-N 282.384 2.278 0 30 CEAC Cn1c(S)nnc1CSCCOc1ccccc1 15919729 VBPXNAZDNIKQSR-UHFFFAOYSA-N 281.406 2.416 0 30 CEAC Nc1ncnc2c1cnn2Cc1cccc(Cl)c1 71193991 NZASFVZAXQNYCC-UHFFFAOYSA-N 259.700 2.110 0 30 CEAC CCOC(=O)C(=CNc1cscc1C)C(=O)OCC 2152195 DHCUPTVWOYRXAU-UHFFFAOYSA-N 283.349 2.479 0 30 CEAC O=C1NS(=O)(=O)c2ccccc2N1Cc1ccccc1 15443492 AXSIIVGAOIWSJU-UHFFFAOYSA-N 288.328 2.105 0 30 CEAC CC(C)(C)OC(=O)N1CCC2(CCC[C@@H](CN)O2)CC1 606297667 NMCUZMVJNDLTBL-LBPRGKRZSA-N 284.400 2.284 0 30 CEAC CCOC(=O)[C@H]1CCC(=O)[C@@H](C(F)(F)F)CC1 685945557 GCKIRGYKIRZEEG-SFYZADRCSA-N 252.232 2.487 0 30 CEAC O=C1O[C@@H](CO)CN1c1cccc(C(F)(F)F)c1 3627887 DOFPEWKUHZUFJE-SECBINFHSA-N 261.199 2.023 0 30 CEAC COc1ccc2c3c(ccc(OC)c13)C(=O)N(C)C2=O 5699206 GWQIRICPSOISHC-UHFFFAOYSA-N 271.272 2.083 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C(=O)O 76189952 BQBZFVBNWIBSHC-RNFRBKRXSA-N 283.246 2.259 0 30 CEAC O=C(O)c1csc([C@@H]2COc3ccccc3O2)n1 161307 OTPNRLRDUARFBI-JTQLQIEISA-N 263.274 2.354 0 30 CEAC CC(C)CN(CCCN1CCOCC1)CC(C)C 98090230 VCHPFLZWIASTCB-UHFFFAOYSA-N 256.434 2.323 0 30 CEAC CCCCN(C(C)=O)S(=O)(=O)c1ccc(C)cc1 5821148 GIVRXFUIQHEBRN-UHFFFAOYSA-N 269.366 2.332 0 30 CEAC O=C(Cc1ncon1)Nc1ccc(F)c(Cl)c1 90527 SANKRXQDWUIJTK-UHFFFAOYSA-N 255.636 2.043 0 30 CEAC NCc1cc(I)ccc1Cl 95751979 OWSHJPHIDSNERZ-UHFFFAOYSA-N 267.497 2.403 0 30 CEAC O=C(O)C1=C(C(=O)Nc2ccccc2)SCCS1 153164 XMCHPXBKAKLTJP-UHFFFAOYSA-N 281.358 2.401 0 30 CEAC N=C(N)c1ccc(OCCn2cc(C(F)(F)F)cn2)cc1 70466762 TWZUWPAGQMILOY-UHFFFAOYSA-N 298.268 2.265 0 30 CEAC NS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 83934594 NDKRSZAHFIVBQF-UHFFFAOYSA-N 275.757 2.166 0 30 CEAC C=CCNC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1 4106421 HXDPVDWFAFJSDD-UHFFFAOYSA-N 288.328 2.161 0 30 CEAC O=C(O)c1cc2cc(Br)ccc2nc1C(=O)O 32099203 YTXUWMKQJKQPDK-UHFFFAOYSA-N 296.076 2.394 0 30 CEAC Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1Cl 201199129 FHHCJTSYDJEPHF-UHFFFAOYSA-N 273.697 2.028 0 30 CEAC COc1cc(CCC(C)=O)ccc1OC(=O)N(C)C 139888 FYGHCWZIMWVXEL-UHFFFAOYSA-N 265.309 2.277 0 30 CEAC O=C(N1CCCCC1)C1(c2ccccc2)CCNCC1 38635608 COQXRYRBNZJUEW-UHFFFAOYSA-N 272.392 2.320 0 30 CEAC CCCCCC[C@H](C(=O)C=CN(C)C)C(=O)OC 33404446 NHWCNIGZBCXBPJ-GFCCVEGCSA-N 255.358 2.390 0 30 CEAC CCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 217920733 IJSDVUAEMLGTBI-NXEZZACHSA-N 257.330 2.354 0 30 CEAC C[Si](C)(C)CN1CCN(C[Si](C)(C)C)CC1 197991183 FXFDFQGVUFWWTB-UHFFFAOYSA-N 258.558 2.359 0 30 CEAC CC(C)C(=O)N1C[C@H](COc2ccccc2)OC1=O 32218769 BGBCOFMXRUKOEY-GFCCVEGCSA-N 263.293 2.069 0 30 CEAC C[C@@H](O)[C@@H](C)C[Sn](C)(C)C 195775935 UTCNFNFJDKDEIR-VYWODRPJSA-N 250.958 2.342 0 30 CEAC CC(C)(C)OC(=O)N1C(=O)[C@H](N)CCc2ccccc21 2513868 NXNBNRIAPCKSDV-LLVKDONJSA-N 276.336 2.228 0 30 CEAC CCCCN(CCS(=O)(=O)O)c1ccccc1 98090898 BQLIKPMVSGIFQB-UHFFFAOYSA-N 257.355 2.181 0 30 CEAC COC(=O)[C@]1(Cc2cccc(Br)c2)CCNC1 253186046 RIAPESXTQDMMFZ-ZDUSSCGKSA-N 298.180 2.144 0 30 CEAC CC(C)(C)OC(=O)N1CCC(C)(C(N)=S)CC1 88264218 XVFSJTDXEBPORI-UHFFFAOYSA-N 258.387 2.310 0 30 CEAC CCOC(=O)[C@@H]1c2cccn2CCN1C(=O)OC(C)(C)C 382686033 FOXNKGBCMUCRQF-LBPRGKRZSA-N 294.351 2.343 0 30 CEAC COCOc1c(OC)ccc(C=O)c1Br 196250223 ZQQWQXRNGXITDJ-UHFFFAOYSA-N 275.098 2.253 0 30 CEAC CCNC[C@@H](O)c1cccc(OC(=O)C(C)(C)C)c1 4213185 DRMHNJGOEAYOIZ-CYBMUJFWSA-N 265.353 2.281 0 30 CEAC in-man CCOC(=O)[C@@H]1CCC[C@H](c2ccc(OC)cc2)N1 39927874 JKHJXWIIPRBDIN-KGLIPLIRSA-N 263.337 2.442 0 30 CEAC Nc1cc(Cl)c(I)cc1O 67176106 GCYOGURFDSTWMI-UHFFFAOYSA-N 269.469 2.232 0 30 CEAC NCC1(NC(=O)c2cccc(F)c2)CCCCC1 12357026 NHBKAITXMUSEJC-UHFFFAOYSA-N 250.317 2.217 0 30 CEAC O=C(NCc1ccc(-c2csnn2)cc1)C1CC1 106569 WLXPXTRYTJBBSQ-UHFFFAOYSA-N 259.334 2.231 0 30 CEAC CC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 248381224 SMHNDQGSRZUFNG-UOVKNHIHSA-N 281.311 2.201 0 30 CEAC COc1cc(C(=O)OC(C)C)cc(OC)c1OC 5442410 WSGQQLRXHFUPKV-UHFFFAOYSA-N 254.282 2.278 0 30 CEAC O=C(O)c1cc2c(Br)cccc2nn1 2265384758 UPIJLINMUURUNH-UHFFFAOYSA-N 253.055 2.091 0 30 CEAC NCc1ccc(I)c(Cl)c1 98096525 QXRYQONEGXBAFG-UHFFFAOYSA-N 267.497 2.403 0 30 CEAC in-vitro Nc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 171341 SQSVWPFZKVSOQM-UHFFFAOYSA-N 283.209 2.473 0 30 CEAC CCOC(=O)[C@H]1CC1(Br)Br 146792775 UZRMNZSTNIVKJH-SCSAIBSYSA-N 271.936 2.056 0 30 CEAC COC(=O)c1sc(OC)cc1OC(=O)c1ccco1 116146 XQCLABVRJODKMS-UHFFFAOYSA-N 282.273 2.356 0 30 CEAC Oc1ccc2c(c1)[C@H](O)CN(Cc1ccccc1)C2 31274337 ZIDUVPCAVFIGND-MRXNPFEDSA-N 255.317 2.441 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C 693439988 MLXJBKHMCNCGQA-OUAUKWLOSA-N 254.374 2.288 0 30 CEAC Cc1csc(C(=O)O)c1NC(=O)[C@@H](C)NC(C)C 504714172 INVSCHQEZUKNSW-MRVPVSSYSA-N 270.354 2.080 0 30 CEAC in-vitro CC(=O)N/C(=C\c1ccc2ccccc2c1)C(=O)O 4710208 DGDCERYSIKREIN-ZROIWOOFSA-N 255.273 2.401 0 30 CEAC O=C(O)c1cc([C@H](O)C(Cl)(Cl)Cl)ccc1O 33608930 NDWAAEWOLHYURY-ZETCQYMHSA-N 285.510 2.494 0 30 CEAC Cc1nnsc1C(=O)Nc1ccc(N(C)C)cc1 158185 BGOGTBPGGSKWCM-UHFFFAOYSA-N 262.338 2.165 0 30 CEAC Clc1ccccc1C(N1CCOCC1)N1CCOCC1 33868089 QHLHJDHYOIXLEN-UHFFFAOYSA-N 296.798 2.003 0 30 CEAC Nc1ccc2c(c1)OCC(F)(F)C(F)(F)CO2 2265385040 RLVVPDPGENUMCN-UHFFFAOYSA-N 251.179 2.311 0 30 CEAC O=C(O)CCNC(=O)Nc1cccc2ccccc12 173213 RXLOPKDPLPCVBH-UHFFFAOYSA-N 258.277 2.436 0 30 CEAC CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCNC1 98209701 BYKFRZRXLHWLPJ-CYBMUJFWSA-N 298.390 2.089 0 30 CEAC COC(=O)[C@@H]1C(O)=C(Cl)C(O)=C(Cl)[C@@H]1C 33608516 BRUORQOYZCQXEW-DMTCNVIQSA-N 253.081 2.442 0 30 CEAC COc1c(N)c(C(=O)O)cc(Cl)c1Br 307471241 WXLJJMYMMPSVPV-UHFFFAOYSA-N 280.505 2.392 0 30 CEAC Nc1ccc2c(c1)C[C@@H](N1C(=O)c3ccccc3C1=O)C2 71873549 JHOGMCFVKZDACN-ZDUSSCGKSA-N 278.311 2.032 0 30 CEAC O=C1NC(=O)[C@H](c2ccccc2OCc2ccccc2)N1 95883464 JZJJUEHRTCMZMT-AWEZNQCLSA-N 282.299 2.146 0 30 CEAC O=C(O)c1cnc(Nc2ccc(Cl)cc2)nc1O 2265356088 PTVKRWMWPVVQNY-UHFFFAOYSA-N 265.656 2.277 0 30 CEAC CC(C)S[C@H](NC(=O)OCc1ccccc1)C(=O)O 2513617 HMSDVICBKGZPCO-NSHDSACASA-N 283.349 2.465 0 30 CEAC O=C1Oc2ccccc2[C@@H](O)[C@@H]1Cc1ccccc1 90663134 KIUBWENSWLWWCC-DZGCQCFKSA-N 254.285 2.498 0 30 CEAC C[S@](=O)CCCCCCN1C(=O)c2ccccc2C1=O 285194946 VQVVVBMGTXYAHB-FQEVSTJZSA-N 293.388 2.222 0 30 CEAC COC(=O)C(=CNc1ccccc1SC)n1cncn1 2265269994 NTDQWLLWWMVORB-UHFFFAOYSA-N 290.348 2.084 0 30 CEAC CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CC1 411134 OVGBJDUFKOTPSJ-UHFFFAOYSA-N 270.332 2.347 0 30 CEAC N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 216638873 YKSJIIVDGSXRGG-QMMMGPOBSA-N 284.075 2.460 0 30 CEAC in-vitro CC(C)(C)c1ccc(C(=N)NC(=O)N2CCOCC2)cc1 20230415 VWCXHYCUVPUGRV-UHFFFAOYSA-N 289.379 2.351 0 30 CEAC CC(F)(F)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 113632664 NLNAXEQQJLNSSA-LURJTMIESA-N 253.245 2.010 0 30 CEAC COC(=O)c1cc(Br)c2c(c1)CCO2 260957162 QIODYDLLNWOWAK-UHFFFAOYSA-N 257.083 2.171 0 30 CEAC COC(=O)c1ccc(C(=O)OC)c(C(=O)c2ccccc2)c1 148639507 KLSOWCKORXXTOM-UHFFFAOYSA-N 298.294 2.491 0 30 CEAC Nc1cc(Br)cc(Br)c1CO 514285588 QKIYVADSYABJMC-UHFFFAOYSA-N 280.947 2.286 0 30 CEAC O[C@@]1(c2cccc(Br)c2)CCCOC1 257857386 BYOWBQOLTURBAF-NSHDSACASA-N 257.127 2.447 0 30 CEAC Nc1nc(-c2cc3c(cc2F)NC(=O)CC3)cs1 35063682 CYGOLNYATKFLHJ-UHFFFAOYSA-N 263.297 2.416 0 30 CEAC in-vitro CCOC(=O)[C@@H]1CCC[C@@H](c2ccc(OC)cc2)N1 39927876 JKHJXWIIPRBDIN-KBPBESRZSA-N 263.337 2.442 0 30 CEAC CCOC(=O)c1c(Br)c(C2CC2)nn1C 238289543 MDYVIHHYLZAMIJ-UHFFFAOYSA-N 273.130 2.237 0 30 CEAC CC(C)(C)OC(=O)N[C@H]1Cc2cc(F)ccc2C1=O 221150932 OUDVXHNIZDJFOQ-NSHDSACASA-N 265.284 2.458 0 30 CEAC O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccc[n+]([O-])c1 2265340035 YZHDUKVPMMVSIF-ZZNDEYBLSA-N 286.375 2.266 0 30 CEAC Cn1nccc1NC(=O)C[C@H](CC(=O)O)c1ccccc1 153162 GHUGHLWLVBGWOP-GFCCVEGCSA-N 287.319 2.007 0 30 CEAC CN(C[C@@H](N)Cc1ccccc1)C(=O)OC(C)(C)C 116445639 RJMUEHMBOAVHHB-ZDUSSCGKSA-N 264.369 2.423 0 30 CEAC O=c1[nH]nc(CSc2cccc(Br)c2)[nH]1 85219822 VFBCMHRMNYNLFM-UHFFFAOYSA-N 286.154 2.153 0 30 CEAC O=C1CCN(c2c(F)cc([N+](=O)[O-])c(F)c2F)CC1 146606227 SISXOCIMIRQTCP-UHFFFAOYSA-N 274.198 2.181 0 30 CEAC CC(C)(O)C(C)(C)OB(O)c1cc2cc(Cl)ccc2[nH]1 200313460 BZXZECVINGTTKS-UHFFFAOYSA-N 295.575 2.075 0 30 CEAC CN(C)C(=O)c1csc([C@@H]2COc3ccccc3O2)n1 168644 VSVNXLFCAZVTOC-LBPRGKRZSA-N 290.344 2.357 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](CCCO)COC1(C)C 36468611 JEPJZGUFARGBJH-SNVBAGLBSA-N 259.346 2.131 0 30 CEAC CCOC(=O)Cn1nnc(-c2ccc(C(C)(C)C)cc2)n1 118689 WUBKRQSSBOVGIN-UHFFFAOYSA-N 288.351 2.201 0 30 CEAC C=Cc1c(S(C)(=O)=O)sc(C(=O)OCC)c1C 125660 RFDHJJLGPLPSLJ-UHFFFAOYSA-N 274.363 2.280 0 30 CEAC Nc1cccc(F)c1-c1nc(-c2ccncc2)n[nH]1 79100 HTLZXIFVQJTOFZ-UHFFFAOYSA-N 255.256 2.255 0 30 CEAC O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCO2 146201 WPGZJLHKFVBPJE-UHFFFAOYSA-N 275.329 2.422 0 30 CEAC COc1cccc(Cc2nnc(-c3snnc3C)o2)c1 158274 ZPMRVMIHMMUCAL-UHFFFAOYSA-N 288.332 2.496 0 30 CEAC C[C@H](CCCCN)C(C)(C)NC(=O)CCCCCN 33611273 LGXKDXAXCUDCPF-CYBMUJFWSA-N 271.449 2.165 0 30 CEAC CN1CCN(c2ccc(Br)c(C=O)c2)CC1 21988771 WDNLRASDXSUTOO-UHFFFAOYSA-N 283.169 2.013 0 30 CEAC CCCN1CCN(c2ccc(N)c(OCC)c2)CC1 95943591 XTOXVSMOKSTGPE-UHFFFAOYSA-N 263.385 2.200 0 30 CEAC CN1OC[C@@H]2COc3ccc(Br)cc3[C@H]21 254394650 IKMNZXXFKNSMLB-CPCISQLKSA-N 270.126 2.376 0 30 CEAC COC(=O)Cc1nc(Cl)ccc1Br 238400042 IPMNRTRASIWTFO-UHFFFAOYSA-N 264.506 2.213 0 30 CEAC O=C1CS[C@H](c2cccnc2)N1Cc1cccnc1 99704 BFGYHBRCKKVHIQ-CQSZACIVSA-N 271.345 2.251 0 30 CEAC COC(=O)C1[C@@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 101788085 RFBVTSPWBOBKLB-NXEZZACHSA-N 269.341 2.053 0 30 CEAC COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 238856583 WIUCVCPUXZNLBA-GHMZBOCLSA-N 271.357 2.441 0 30 CEAC CCOC(=O)[C@H]1COc2ccc(Br)cc21 34108702 GLZYBYZLXGPTCX-VIFPVBQESA-N 271.110 2.488 0 30 CEAC NC(=O)c1nsc2cc(Br)ccc12 40434582 UJUQKKQVABLGNY-UHFFFAOYSA-N 257.112 2.158 0 30 CEAC CNCC[C@]1(c2ccc(OC)c(OC)c2)C=C[C@H](O)CC1 85953284 RPZQWNSMMCKOSH-YOEHRIQHSA-N 291.391 2.262 0 30 CEAC O=C1Oc2ccccc2[C@@H](O)[C@H]1Cc1ccccc1 90663132 KIUBWENSWLWWCC-UKRRQHHQSA-N 254.285 2.498 0 30 CEAC COCC1(COC)COC(c2ccccc2)OC1 21984498 KUOCKPGVDFMZBD-UHFFFAOYSA-N 252.310 2.011 0 30 CEAC Clc1ccc(Cn2nnc(N3CCCCC3)n2)cc1 89074 HPLCBKFCAIWNAP-UHFFFAOYSA-N 277.759 2.365 0 30 CEAC Nc1cccc(NC[C@@H](O)COc2ccccc2)c1 5162507 RFPKYQMWFYTWKO-CQSZACIVSA-N 258.321 2.121 0 30 CEAC Nc1ccc2oc(=O)c(C(=O)N3CCCCC3)cc2c1 2017404 GKRHYIYUFVXEOY-UHFFFAOYSA-N 272.304 2.001 0 30 CEAC Cc1ccc2nc(NC(=O)C(C)(C)C)[nH]c(=O)c2c1 13463883 RECSOKOLCCTIMD-UHFFFAOYSA-N 259.309 2.216 0 30 CEAC Cc1cc(C(=O)N=[S@](C)(=O)c2ccccc2)no1 100214998 CCQIJLKZOGGFAM-GOSISDBHSA-N 264.306 2.280 0 30 CEAC CN(C)C(=S)Sc1c(O)c2ccccc2n(C)c1=O 100398914 BYQFFACKEJUCGW-UHFFFAOYSA-N 294.401 2.183 0 30 CEAC FC(F)c1nnc(I)s1 71052125 RLFPNBSGXHWQKA-UHFFFAOYSA-N 262.022 2.080 0 30 CEAC Nc1ncnc(SCc2ccc(Cl)cc2)n1 164676 OUGVSSFFUKQJJM-UHFFFAOYSA-N 252.730 2.400 0 30 CEAC CCn1c(C)nc(I)c1Cl 233375 ZPLPZCOKJXEEIK-UHFFFAOYSA-N 270.501 2.469 0 30 CEAC O=C(O)c1cc(I)cs1 33694140 GSEBHZUWNMCUEB-UHFFFAOYSA-N 254.048 2.051 0 30 CEAC Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 93799 VZKWRIUFIQUVIS-UHFFFAOYSA-N 284.287 2.348 0 30 CEAC O=C1C=CC(=O)N1Cc1ccc(Cl)c(Cl)c1 97832 VPWOZDFFUOJIJS-UHFFFAOYSA-N 256.088 2.418 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 250589981 JRHBZKRMXSMJBC-WOPDTQHZSA-N 255.358 2.404 0 30 CEAC CC(C)(C)S(=O)(=O)C(C#N)=NNc1ccccc1F 254847298 YIHDFEMKHOPYKR-UHFFFAOYSA-N 283.328 2.288 0 30 CEAC C[C@H]1C[C@@H](C(=O)O)C[C@@H](C)N1C(=O)OC(C)(C)C 536958314 KFLWOWNEKVAXJD-MYJAWHEDSA-N 257.330 2.495 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](CN)[C@H]1c1cccnc1 96980632 CFEYMEPCXVSBOI-YPMHNXCESA-N 277.368 2.338 0 30 CEAC CCOC(=O)N1CCCN=C1NNc1cc(F)ccc1C 93491 HWYGCBORWPRPOM-UHFFFAOYSA-N 294.330 2.269 0 30 CEAC CC(C)(C)OC(=O)N1C(=O)[C@@H](N)CCc2ccccc21 238137553 NXNBNRIAPCKSDV-NSHDSACASA-N 276.336 2.228 0 30 CEAC O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c(Cl)cccc21 253370611 TVFGZWKEGBWVQO-FOGDFJRCSA-N 279.723 2.164 0 30 CEAC N[C@@H](c1ccnc(Br)c1)C(F)(F)F 95641759 LTGODAPQHQZRSP-LURJTMIESA-N 255.037 2.406 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](n2nccc2N)C1 685949625 VOTHOORLZYRRGN-SNVBAGLBSA-N 266.345 2.037 0 30 CEAC Cc1cc(C)n(-c2cc(C)c3c(C)nn(C)c3n2)n1 36048355 PZLHBAWXOSGAJI-UHFFFAOYSA-N 255.325 2.388 0 30 CEAC CN(C)c1noc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 95942442 WPXPWBJQWHIUCK-JTQLQIEISA-N 296.371 2.250 0 30 CEAC N[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl 146293429 IHKXUUPBTZFRKU-SNVBAGLBSA-N 257.124 2.285 0 30 CEAC CC(C)(C)OC(=O)N1CC(Oc2cccc(F)n2)C1 1226186195 KFYZAMAEYYFTFG-UHFFFAOYSA-N 268.288 2.219 0 30 CEAC Cc1nc(C2OCCO2)sc1Br 616583083 VIMHPXOJYAOODF-UHFFFAOYSA-N 250.117 2.259 0 30 CEAC C[C@]12C[C@@H](O)[C@@H]3[C@@H](C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 2265352029 YKRSODWTTPYVQH-LUTWZFFNSA-N 290.403 2.460 0 30 CEAC O=C(NC(=S)Nc1ccccc1)c1ccc2nonc2c1 171112 FULHROWUABSPTB-UHFFFAOYSA-N 298.327 2.350 0 30 CEAC COc1cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)ccc1O 525904 OZKTVDIYALBSMA-FUNVUKJBSA-N 291.347 2.183 0 30 CEAC biogenic,in-vitro O=C(O)Cc1csc(NC[C@@H]2CCCS2)n1 87670187 OZRXFIKWBOMENW-QMMMGPOBSA-N 258.368 2.078 0 30 CEAC CCOC(=O)c1nc2cccc(F)n2c1Br 953019211 CVKNWIFEEQAYGA-UHFFFAOYSA-N 287.088 2.413 0 30 CEAC CNC(=O)O[C@H](C)CN(C)c1cc(C)cc(C)c1 137179196 XDIIOLIFZDMGHX-GFCCVEGCSA-N 250.342 2.484 0 30 CEAC CC(C)(C)OC(=O)[C@@H](CC[C@@H](N)C(=O)O)c1ccccc1 55167752 OFMQRNWJGVYFNT-QWHCGFSZSA-N 293.363 2.304 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](CCCN)COC1(C)C 2265364036 COBARUFBUUGKQL-SNVBAGLBSA-N 258.362 2.097 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H]1C[C@H]2CC[C@H]1C2 300946150 OJSPXNIKKISMPL-UKKRHICBSA-N 269.341 2.401 0 30 CEAC COCCCn1c(OC(=O)N(C)C)c(C)c(C)nc1=S 4390672 YGFGNPMDCLHQSB-UHFFFAOYSA-N 299.396 2.326 0 30 CEAC CCOC(=O)[C@H]1CCC(=O)[C@H](C(F)(F)F)CC1 685945555 GCKIRGYKIRZEEG-HTQZYQBOSA-N 252.232 2.487 0 30 CEAC N[C@@H]1CCOc2ccc(I)cc21 16082995 IMWOQKPUSMKPEC-MRVPVSSYSA-N 275.089 2.074 0 30 CEAC CC1=CC[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2C1 69664 OBRNZEPIFXFDKH-RYUDHWBXSA-N 285.299 2.261 0 30 CEAC O=CNC(=O)N1c2ccccc2CC(=O)c2ccccc21 77292849 FOEYBWXNDHBTBV-UHFFFAOYSA-N 280.283 2.430 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1C[C@H]2[C@H](CN)CCC[C@H]2C1 96958454 ATFHYPICLWVHFR-SRVKXCTJSA-N 254.374 2.228 0 30 CEAC CCOC(Cn1cnc(Br)c1)OCC 238309022 GHPOEGJBERBALY-UHFFFAOYSA-N 263.135 2.045 0 30 CEAC NC(=O)c1cc(Cl)cc(I)c1 2567841 NXXPITVTBXILBQ-UHFFFAOYSA-N 281.480 2.044 0 30 CEAC CC(=O)[C@H]1[C@@H]2[C@H](O)[C@@H](C(C)C)CC[C@@]2(C)C[C@H]1O 252265571 NQHGSTTYLUUHTC-OJVARPOJSA-N 254.370 2.006 0 30 CEAC Fc1cccc(CSC2=NCN(C3CC3)CN2)c1 166870 YQFVGSUUVNOUTM-UHFFFAOYSA-N 265.357 2.398 0 30 CEAC Cc1noc(C)c1CC(=O)Nc1cccc(C(=O)O)c1 35095011 NDFZGCIOOWTEPQ-UHFFFAOYSA-N 274.276 2.171 0 30 CEAC COC(=O)CS(=O)(=O)c1cc(C)c(Cl)cc1Cl 91136 ATWIPIDQOPAWHB-UHFFFAOYSA-N 297.159 2.249 0 30 CEAC O=C(Nc1ccccc1)C(C=NO)C(=O)Nc1ccccc1 254440408 HZLAVNBOEVMILF-UHFFFAOYSA-N 297.314 2.340 0 30 CEAC CCCCNc1ccc(C(=O)OCCN(C)C)c(O)c1 1999318 DHCUQNSUUYMFGX-UHFFFAOYSA-N 280.368 2.323 0 30 CEAC in-man OCCCNNC(=S)Nc1ccc(Cl)cc1Cl 4323359 OVMAQYJOARNHKD-UHFFFAOYSA-N 294.207 2.167 0 30 CEAC O=C(O)C(CCc1ccccc1Br)C(=O)O 137695855 UMMMUYSGVFTLON-UHFFFAOYSA-N 287.109 2.167 0 30 CEAC O=c1[nH]cc2ccccc2c1I 210975469 PFMRIVXFLMRLDW-UHFFFAOYSA-N 271.057 2.133 0 30 CEAC O[C@@H](CNC1Cc2ccccc2C1)c1ccccc1 118343 QRBNXCVFVJSBMW-KRWDZBQOSA-N 253.345 2.477 0 30 CEAC Cc1cc(-c2cncc(Br)c2)nc(N)n1 95935468 BRQFXJJMAMIJSO-UHFFFAOYSA-N 265.114 2.192 0 30 CEAC c1ccc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc1 22924908 MHZXGSQZAQYQPG-ROUUACIJSA-N 266.388 2.402 0 30 CEAC CCOC(=O)CSc1nc(Cl)cc(Cl)n1 6758179 MRUDNMDJEPHOED-UHFFFAOYSA-N 267.137 2.439 0 30 CEAC O=C(O)CCNC(=O)CCCc1c[nH]c2ccccc12 2149839 NHQSQRLCMSTADH-UHFFFAOYSA-N 274.320 2.082 0 30 CEAC Cc1nc2c(-c3ccccc3)cnn2c(O)c1CCC(=O)O 23115022 CYGSADFQGUEVEV-UHFFFAOYSA-N 297.314 2.428 0 30 CEAC Ic1ncn2ccsc12 66054994 FXCGJXHWSBBHCG-UHFFFAOYSA-N 250.064 2.000 0 30 CEAC CC1(C)O[C@@H]2[C@@H](F)[C@@H](COC(=O)c3ccccc3)O[C@@H]2O1 1774020941 ZMBQOOBVWVHSTK-GFQSEFKGSA-N 296.294 2.058 0 30 CEAC CCCc1ccccc1OC[C@@H](O)CNC(C)C 2001211 JVHCMYZFGCOCTD-AWEZNQCLSA-N 251.370 2.377 0 30 CEAC in-vitro O=C(OCc1ccccc1)N1CCCCC12CNC2 91690575 GTLCKMQBICDJEG-UHFFFAOYSA-N 260.337 2.151 0 30 CEAC O=C(Nc1ccc2nsnc2c1)C1CCOCC1 12340868 RSKNPUBBZNIBFN-UHFFFAOYSA-N 263.322 2.056 0 30 CEAC CCOC(=O)[C@@](O)(c1cccc(C)c1)C(F)(F)F 43465319 LYWUGNLZQFDOEQ-NSHDSACASA-N 262.227 2.308 0 30 CEAC CS(=O)(=O)c1ccccc1-c1ccc(C(=O)O)cc1 95616789 BPZLFXUGRPDDRY-UHFFFAOYSA-N 276.313 2.455 0 30 CEAC CCCNC(=O)N1CCN(CC=Cc2ccccc2)CC1 2265356136 BGIUKTHDKPOCHY-UHFFFAOYSA-N 287.407 2.437 0 30 CEAC CCOC(=O)C(C#N)=NNc1ccc(Cl)cc1 254301990 PQDRRQIRVTVLBS-UHFFFAOYSA-N 251.673 2.195 0 30 CEAC CC(=O)N/C(=C\c1ccccc1Br)C(=O)O 4710214 IEKOIFPNKPNFEQ-POHAHGRESA-N 284.109 2.011 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](O)C(F)(F)CC1 259651530 HNYMUDLVJNDQSA-MRVPVSSYSA-N 251.273 2.014 0 30 CEAC O=C1CCNc2c(I)cccc21 38328542 JWMXXMZXOHLUAE-UHFFFAOYSA-N 273.073 2.290 0 30 CEAC COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)OC(C)(C)C 888084736 JTHIIAZHYJFKHG-LMLFDSFASA-N 269.341 2.099 0 30 CEAC CCOC(=O)[C@@](C)(N)Cc1ccc(Br)cc1 90461644 QAZSKYBREOZZBE-LBPRGKRZSA-N 286.169 2.272 0 30 CEAC O=C(O)c1cc(Br)nn1-c1ccccc1 53709297 PYOQADOHOIJUSR-UHFFFAOYSA-N 267.082 2.333 0 30 CEAC CC1(C)CC(N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC(C)(C)N1 33606869 OXAUHFISPWLGBV-BETUJISGSA-N 292.423 2.471 0 30 CEAC O=C1COc2c(Br)cc(Cl)cc2N1 34265210 FKEYYNXXVBRNRG-UHFFFAOYSA-N 262.490 2.433 0 30 CEAC CCOC(=O)C1=C([C@@H](C)c2ccccc2)NC(=O)N[C@@H]1C 146946 IHGQHXFNBUCFCE-WDEREUQCSA-N 288.347 2.309 0 30 CEAC CNC(=O)Oc1cccc(NC(=O)OC(C)C)c1 1756259 FBLVWMVUQZTUFU-UHFFFAOYSA-N 252.270 2.362 0 30 CEAC CCCCNCC(=O)Nc1ccc(OCC)cc1 1676339 QVQACDQHOJXJTI-UHFFFAOYSA-N 250.342 2.414 0 30 CEAC O=C(O)c1cc2ccc(Cl)cc2nc1C(=O)O 32099210 HNQOGJKSDRVURM-UHFFFAOYSA-N 251.625 2.285 0 30 CEAC CCOC(=O)COc1ccc(OCCCl)cc1 71790769 AMARAODMGYIPDK-UHFFFAOYSA-N 258.701 2.246 0 30 CEAC O=C(NC1(C(=O)O)CC(F)(F)C1)OCc1ccccc1 253186547 SEONRICTAYAILT-UHFFFAOYSA-N 285.246 2.165 0 30 CEAC CCOc1cc(N2CCOC(C)(C)C2)ccc1N 96034498 KZIWESXOLUWNQN-UHFFFAOYSA-N 250.342 2.283 0 30 CEAC in-vitro CCCC[C@H](CC)CNCCCS(=O)(=O)O 44831960 VPIAKMKEAUGKHE-NSHDSACASA-N 251.392 2.070 0 30 CEAC CCOc1ccc(NC(=O)CN(CC)CC)cc1 4772980 FCIFJJOPLXDBHS-UHFFFAOYSA-N 250.342 2.366 0 30 CEAC CCOC(=O)C(Cl)=NNc1ccccc1[N+](=O)[O-] 252638018 XYTJWRVHURKZAD-UHFFFAOYSA-N 271.660 2.122 0 30 CEAC O=C(NC(=O)N1CCSC1)c1ccccc1Cl 166250 LTHNONKEADEQBQ-UHFFFAOYSA-N 270.741 2.196 0 30 CEAC Cc1onc(-c2ccccc2)c1CNC(=O)CCC(=O)O 105506 PJFBCSCWDHEOAD-UHFFFAOYSA-N 288.303 2.131 0 30 CEAC COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(C)C 238856586 WIUCVCPUXZNLBA-WDEREUQCSA-N 271.357 2.441 0 30 CEAC Nc1c(F)c(F)c(F)c(F)c1I 206905581 CJAYCTZFMUEVOD-UHFFFAOYSA-N 290.985 2.430 0 30 CEAC CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](CC(=O)O)C1 503841394 GAUSFGRPMAHWID-NSHDSACASA-N 294.351 2.330 0 30 CEAC CC(C)c1nn(-c2ncccc2C(F)(F)F)c(=O)o1 4335870 ABZVAAAVIMFXRE-UHFFFAOYSA-N 273.214 2.363 0 30 CEAC Cc1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1C 20223498 FPPACALVZZTTPJ-OAHLLOKOSA-N 286.375 2.421 0 30 CEAC OCCCc1ccc(I)cc1 33824616 NMDCAVUBMYPYKW-UHFFFAOYSA-N 262.090 2.216 0 30 CEAC C1=C[C@@H]2[C@H](C1)[C@H]1N=N[C@H]2[C@@H]2[C@H]3C[C@@H]([C@@H]4C=NO[C@H]34)[C@H]21 252595497 CAZOBHQZGCRZEA-GQOUOVHJSA-N 255.321 2.278 0 30 CEAC COc1cc(Br)cc2n[nH]c(C(=O)O)c12 14984100 BWHFPBGFHYUGTB-UHFFFAOYSA-N 271.070 2.032 0 30 CEAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(C(=N)NO)C2 584880044 TWVHPVFHSMQWKQ-UWVGGRQHSA-N 269.345 2.121 0 30 CEAC CS(=O)(=O)Cc1ccc(Br)s1 67651193 LRMLBJNWKJWPQS-UHFFFAOYSA-N 255.158 2.055 0 30 CEAC Cc1nc(N)c2cnn(Cc3cccc(Cl)c3)c2n1 133828875 OSSWNOUJZDMFDV-UHFFFAOYSA-N 273.727 2.419 0 30 CEAC Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CN 1857792949 GUMYCZXYTOLLAT-UHFFFAOYSA-N 294.362 2.388 0 30 CEAC Oc1cc(F)c(I)nc1Cl 148714065 WJXJIZOVWMFBTD-UHFFFAOYSA-N 273.432 2.184 0 30 CEAC COC(=O)C(C)(C)NCc1ccccc1Br 37085418 CKTAFYPHOFBMFD-UHFFFAOYSA-N 286.169 2.490 0 30 CEAC in-vitro COC(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 400160192 VPMVMWQFWXVNDM-AEZGRPFRSA-N 269.341 2.363 0 30 CEAC COC(=O)c1cccc(NC(=O)NC(=O)c2ccccc2)c1 143519 KCYKDCCSALESHM-UHFFFAOYSA-N 298.298 2.435 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCCN[C@@H]2C1(C)C 693439863 MLXJBKHMCNCGQA-GARJFASQSA-N 254.374 2.288 0 30 CEAC CC(=O)OC[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2[C@H]1COC(C)=O 263589285 HUYMSHFTYVVGSK-CMXYNOPPSA-N 280.364 2.411 0 30 CEAC CC(C)N1C[C@@H](COc2ccc(F)cc2)OC1=O 74114 AIPJGNAYUHQTPX-LBPRGKRZSA-N 253.273 2.434 0 30 CEAC COC(=O)c1onc(-c2ccc(C)cc2)c1C(=O)OC 39119928 CQCUNILAGKOGJI-UHFFFAOYSA-N 275.260 2.223 0 30 CEAC CC(C)(C)OC(=O)N1CC(NOCc2ccccc2)C1 133558631 SJJRDGNWBVLORG-UHFFFAOYSA-N 278.352 2.327 0 30 CEAC Cc1cc(C)c(C[n+]2cccc(C(N)=O)c2)c(C)c1 49155141 QNWHIDHARSNDMH-UHFFFAOYSA-O 255.341 2.047 0 30 CEAC COc1cccc(CCCCCN(C)C(N)=O)c1 4336294 NNBKGWSDBFFQQL-UHFFFAOYSA-N 250.342 2.419 0 30 CEAC Nc1ccc(CNC(=O)OCc2ccccc2)nc1 306707730 RVZIEIPOHGTKRD-UHFFFAOYSA-N 257.293 2.090 0 30 CEAC CON=C(CN1CCOCC1)c1ccc(Cl)cc1 254761402 YJWVSACFOQYMMH-UHFFFAOYSA-N 268.744 2.023 0 30 CEAC COc1cc2cc3c(cc2c(OC)c1O)COC3=O 14447740 UFMUVUVAWRSSQR-UHFFFAOYSA-N 260.245 2.233 0 30 CEAC CCOC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 69566 GPUIMSKYUQJPHS-UHFFFAOYSA-N 283.280 2.059 0 30 CEAC Nc1cccc2c1ccn2S(=O)(=O)c1ccccc1 95935515 XQPCIFQSPLEMHI-UHFFFAOYSA-N 272.329 2.461 0 30 CEAC COc1cc2c(cc1OC)C(=O)[C@]1(CCCCN1)CC2 146591566 LDPJJHARWMWUSK-INIZCTEOSA-N 275.348 2.345 0 30 CEAC CC(C)(C)OC(=O)NCCCNC(=O)OC(C)(C)C 59214349 CCMFCMIOOCKGMH-UHFFFAOYSA-N 274.361 2.426 0 30 CEAC N[C@@H](C(=O)O)c1ccc(Cl)cc1Br 89063810 ZRVWAVBHXVIOSB-SSDOTTSWSA-N 264.506 2.187 0 30 CEAC CC(C)(C)OC(=O)N[C@H](C[C@H]1CC1(F)F)C(=O)O 95774534 QEKPZMYIMVXKQB-NKWVEPMBSA-N 265.256 2.010 0 30 CEAC CC1(C)C=C(B(O)OC(C)(C)C(C)(C)O)CC(C)(C)N1 224097810 XQPVOUPKLKBERP-UHFFFAOYSA-N 283.221 2.049 0 30 CEAC COc1ccc2nc(SCC(=O)O)c(C=O)cc2c1 2555587 VDHAXZSRBIEISQ-UHFFFAOYSA-N 277.301 2.233 0 30 CEAC O=C1CCNc2ccc(I)cc21 95755938 KFWMYLLMTUTUDI-UHFFFAOYSA-N 273.073 2.290 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](C2(C(=O)O)CC2)C1 88613829 PKDRWNHLLPRVSI-SNVBAGLBSA-N 269.341 2.498 0 30 CEAC Cc1ccc(N2CCN(Cc3c[nH]cn3)CC2)cc1 95934500 RHEBGSLKORJLEY-UHFFFAOYSA-N 256.353 2.040 0 30 CEAC CCOC(=O)c1ccccc1N1CCCN(C)CC1 12370646 XAVHDPRFJKPWNA-UHFFFAOYSA-N 262.353 2.005 0 30 CEAC N=C(N)SCc1cccc(CSC(=N)N)c1F 4323257 QUDMIOXXJYQWHV-UHFFFAOYSA-N 272.374 2.079 0 30 CEAC COc1cc2c(cc1OC)[C@@H](O)[C@]1(CCCCN1)CC2 146589211 MCAJBTMDTTZXLB-CVEARBPZSA-N 277.364 2.196 0 30 CEAC BrC(Br)(Br)[C@H]1CO1 146555166 RETDLDJGIUNIEJ-UWTATZPHSA-N 294.768 2.224 0 30 CEAC CCOC(=O)N1CCC(NC(=O)c2cccs2)CC1 157717 XQRFYDUHINWZGH-UHFFFAOYSA-N 282.365 2.099 0 30 CEAC CC1(C)C[C@@H](CC(=O)O)N(C(=O)OC(C)(C)C)C1 687762867 UGWKMLJXJULVJU-SECBINFHSA-N 257.330 2.497 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H](C2(C(=O)O)CC2)C1 88613828 PKDRWNHLLPRVSI-JTQLQIEISA-N 269.341 2.498 0 30 CEAC COc1ccccc1NC(=S)NCC(C)(C)C(=O)O 93485 HMARFODPGTVIDK-UHFFFAOYSA-N 282.365 2.092 0 30 CEAC O=c1c(-c2cc(F)ccc2F)c(O)nc2n1CCCC2 171258 LGXIKKOCVDXYMP-UHFFFAOYSA-N 278.258 2.230 0 30 CEAC CN1CCN2c3ncc(O)cc3Cc3ccccc3[C@@H]2C1 21981256 DAWYIZBOUQIVNX-INIZCTEOSA-N 281.359 2.185 0 30 CEAC world COc1ccc(C(C)=O)cc1CSc1nccc(=O)[nH]1 8626629 JQXANOKQUQWMJE-UHFFFAOYSA-N 290.344 2.273 0 30 CEAC O=S(=O)(c1ccc(Cl)cc1)N1CCSCC1 140213 XNWPLDHVPQAVPC-UHFFFAOYSA-N 277.798 2.078 0 30 CEAC O=C(O)Cc1ccc(CNc2nccs2)s1 125304132 RYMCEVJIXBGJQP-UHFFFAOYSA-N 254.336 2.444 0 30 CEAC CCc1ccc2c(c1)NC(=O)[C@@]2(O)CC(=O)c1ccccn1 15042415 ROVCRPPOPYOLNN-QGZVFWFLSA-N 296.326 2.057 0 30 CEAC CC(C)(C)OC(=O)N1CCC(CF)(C(=O)O)CC1 218092602 MDSRZVVMJRJURG-UHFFFAOYSA-N 261.293 2.058 0 30 CEAC CC(C)(C)OC(=O)Nc1ccc(C(=O)O)c(F)n1 689675410 YXJYSMNZZIGPTQ-UHFFFAOYSA-N 256.233 2.266 0 30 CEAC CCOc1sc(C)nc1I 2265384982 NFDPXLXDZSXZMW-UHFFFAOYSA-N 269.107 2.455 0 30 CEAC CCOC(=O)c1cc(O)c(=O)n(-c2ccccc2)c1C 238790509 VQIYBHSVRQUBNE-UHFFFAOYSA-N 273.288 2.028 0 30 CEAC O=S(=O)(N[C@@H]1CCSC1)c1ccc(Cl)cc1 141787 BCAOQJMWZXYXNE-SECBINFHSA-N 277.798 2.124 0 30 CEAC Cc1csc2c(NCCCN3CCOCC3)ncnc12 19924789 XAKQSEVYBCVQRD-UHFFFAOYSA-N 292.408 2.134 0 30 CEAC Cc1cc(O)c(I)cc1C(=O)O 117032259 XBEORXBAJZOYJF-UHFFFAOYSA-N 278.045 2.003 0 30 CEAC Clc1cc(Cl)c2ncnc(N3CCNCC3)c2c1 44960032 ZWRVTHVAILXIHM-UHFFFAOYSA-N 283.162 2.346 0 30 CEAC CC(C)(C)OC(=O)NCCc1ccc(CN)cc1 37034959 MOOOPSISNWRGLA-UHFFFAOYSA-N 250.342 2.213 0 30 CEAC CCOC(=O)C(F)(F)SCC(=O)OC(C)(C)C 334163753 AYIYLDBLFYUBNB-UHFFFAOYSA-N 270.297 2.217 0 30 CEAC CON=C(CNC(=O)C1CC1)c1ccc(Cl)cc1 254875160 PZWTUHOHYAPSRZ-UHFFFAOYSA-N 266.728 2.217 0 30 CEAC CCN(CC)CCCOC(=O)c1ccc(N)cc1OC 1851928 CLTMXIWHKWKMPB-UHFFFAOYSA-N 280.368 2.166 0 30 CEAC CCN(C)C(=O)c1ccc(Br)cc1O 44490587 YGADQQVASHERFI-UHFFFAOYSA-N 258.115 2.247 0 30 CEAC in-vitro CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)O1 2033490 FRVXCGFGNRRTFN-JTQLQIEISA-N 267.712 2.164 0 30 CEAC COc1cnc2c(I)c[nH]c2c1 44712952 NHARPICPWQFKHE-UHFFFAOYSA-N 274.061 2.176 0 30 CEAC Clc1ccc(-c2cnc(N3CCNCC3)o2)cc1 2265385306 GLERKABSPZMSLS-UHFFFAOYSA-N 263.728 2.405 0 30 CEAC COC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 22016579 NRUURHSPHDCNCD-LLVKDONJSA-N 255.701 2.080 0 30 CEAC CC(C)(C)OC(=O)N[C@H](C(C)(C)O)C(F)(F)F 115991587 GVPGALPCOIOGRT-ZCFIWIBFSA-N 257.252 2.213 0 30 CEAC Cc1cc(C(=O)N=[S@@](C)(=O)c2cccs2)no1 100214987 BINMHMOYJZAQHB-KRWDZBQOSA-N 270.335 2.342 0 30 CEAC CN(CCNCC(F)(F)F)C(=O)OC(C)(C)C 725343466 HNBHJGMZMVHWTK-UHFFFAOYSA-N 256.268 2.005 0 30 CEAC O=C(NC1CCCCC1)c1cc2c(s1)CCNC2 662342494 GKQNPGKPQZIUPT-UHFFFAOYSA-N 264.394 2.456 0 30 CEAC C=COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 38613842 ZYSDNTTYVOJEHJ-LBPRGKRZSA-N 274.276 2.033 0 30 CEAC COc1ccc(NN=C(C#N)S(=O)(=O)C(C)(C)C)cc1 254823387 QLJSQCADIANHJF-UHFFFAOYSA-N 295.364 2.157 0 30 CEAC CC(=O)O[C@H]1C[C@H]2CC[C@H]1N(Cc1ccccc1)C2=O 252427706 CTOILXCRCXXYDH-KFWWJZLASA-N 273.332 2.129 0 30 CEAC Nc1cc(-c2cccc(Br)c2)ncn1 44262458 HNJRZGBTIJXXFE-UHFFFAOYSA-N 250.099 2.488 0 30 CEAC in-vitro CC(=O)S[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O 100394427 OJPWCWXRSBYOJM-LLVKDONJSA-N 277.345 2.215 0 30 CEAC CCOC(=O)C(=O)CC(=O)c1cc2ccccc2o1 100719445 ZRVINXCVBXMLDP-UHFFFAOYSA-N 260.245 2.138 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H](CO)Cc1ccccc1 146932810 MZROITKHJJJGJI-ZDUSSCGKSA-N 265.353 2.362 0 30 CEAC Fc1nccc(Cl)c1I 238600318 YYINSBDGPOBVRR-UHFFFAOYSA-N 257.433 2.479 0 30 CEAC C[C@]12C[C@@H](O)[C@@H]3[C@@H](C=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 2265352030 YKRSODWTTPYVQH-PPHAJORXSA-N 290.403 2.460 0 30 CEAC O=C(O)C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 107324 PVXOUDJOKQCGHV-MRVPVSSYSA-N 260.698 2.360 0 30 CEAC c1ccc([C@H](c2nccs2)N2CCNCC2)cc1 19729235 WBXYBQQCOUNAII-CYBMUJFWSA-N 259.378 2.138 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H]1c1cccnc1 396153470 CFEYMEPCXVSBOI-DGCLKSJQSA-N 277.368 2.338 0 30 CEAC O=C(O)c1csc([C@H]2COc3ccccc3O2)n1 161308 OTPNRLRDUARFBI-SNVBAGLBSA-N 263.274 2.354 0 30 CEAC O[C@@H](c1ccc(N2CCOCC2)cc1)C(F)(F)F 3643439 XYMJLTSIWLKJAR-NSHDSACASA-N 261.243 2.119 0 30 CEAC Nc1ccc([N+](=O)[O-])cc1[S@@](=O)c1ccccc1 148789130 XRPBMRLORQFRNY-GOSISDBHSA-N 262.290 2.344 0 30 CEAC CCOC(=O)[C@H](N)Cc1cc(Cl)ccc1Cl 44341054 PAVSIGPSDCRKLV-SNVBAGLBSA-N 262.136 2.426 0 30 CEAC CCn1c(C=Cc2ccccc2)nnc1SCC(N)=O 2265279327 XIBLVZVPNLYIFY-UHFFFAOYSA-N 288.376 2.046 0 30 CEAC Cc1cccc(C)c1NC(=S)NCCCC(=O)O 3138401 VTVSUPLIBYKOPQ-UHFFFAOYSA-N 266.366 2.455 0 30 CEAC N[C@@H](Cc1ccc(SC(F)(F)F)cc1)C(=O)O 19473410 VUQLYNOIWQJJOW-QMMMGPOBSA-N 265.256 2.253 0 30 CEAC CC(C)(C)OC(=O)[C@@H](CC[C@H](N)C(=O)O)c1ccccc1 55167740 OFMQRNWJGVYFNT-STQMWFEESA-N 293.363 2.304 0 30 CEAC Fc1ccc(NC2COC2)c(I)c1 86764656 KYJQYRGLHPARSW-UHFFFAOYSA-N 293.079 2.241 0 30 CEAC O=C1N=C(O)[C@@](c2ccc(O)cc2)(c2cccs2)N1 33868691 OQJYYKGWJGYIPA-CYBMUJFWSA-N 274.301 2.377 0 30 CEAC Cc1nccc2[nH]cc(I)c12 14986162 AUDKTNCLJDKEJL-UHFFFAOYSA-N 258.062 2.476 0 30 CEAC in-vitro O=C1CSCC(=O)N1c1ccc(F)c(Cl)c1 100796 KQZQDJJVYLFCCP-UHFFFAOYSA-N 259.689 2.086 0 30 CEAC O=C1CCCN1C1CCN(Cc2ccccc2)CC1 40448680 FCDFVQWVYYQEFO-UHFFFAOYSA-N 258.365 2.273 0 30 CEAC CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 4344143 FJMPOGOKGKPDGM-CYBMUJFWSA-N 292.379 2.259 0 30 CEAC O=C(OCc1ccccc1)N1CCC[C@]12CCNC2 91297375 SSUHQBDSVBXYAW-OAHLLOKOSA-N 260.337 2.151 0 30 CEAC CS(=O)(=O)N1CC[C@H]1c1ccc(Br)cc1 216013017 SMVIJSFJMWNQFD-JTQLQIEISA-N 290.182 2.156 0 30 CEAC O=C1Nc2ccc(Cl)c(Br)c2C1=O 38920396 LQJNRZUWHDXIGK-UHFFFAOYSA-N 260.474 2.237 0 30 CEAC CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 4344324 OIVIEPBORBEWRC-UWVGGRQHSA-N 258.362 2.062 0 30 CEAC CCOC(=O)c1sc([S@@](C)=O)c2c1CCCC2=O 4349684 GCTHVQOLDZPMKG-SFHVURJKSA-N 286.374 2.181 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 76695911 JRHBZKRMXSMJBC-IJLUTSLNSA-N 255.358 2.404 0 30 CEAC CC(C)(C)OC(=O)NCCCNc1cncc(Cl)n1 95883476 RIXUAQVKFBPJQC-UHFFFAOYSA-N 286.763 2.457 0 30 CEAC in-vitro CCOC(=O)CC(=O)CCOCc1ccccc1 39043023 XXYYVXDQSFMEPX-UHFFFAOYSA-N 250.294 2.116 0 30 CEAC CC(C)(C)OC(=O)N1CCC(O)(c2ccc(N)cc2)CC1 148318887 RPNNIWGIHUSYES-UHFFFAOYSA-N 292.379 2.487 0 30 CEAC CC[P@](=O)(OC)Oc1ccc(S(C)(=O)=O)cc1 5955562 KULCGIYIYPVRSM-INIZCTEOSA-N 278.266 2.328 0 30 CEAC CC(C)(C)OC(=O)N1Cc2cnn(C3CCNCC3)c2C1 328579428 HVBLVYYREZFLFC-UHFFFAOYSA-N 292.383 2.058 0 30 CEAC CCOC(=O)c1cc(Br)ccc1OC(N)=O 33901188 FRYMTGAPYWWVQL-UHFFFAOYSA-N 288.097 2.083 0 30 CEAC CC(C)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]12CCCN2 958719670 WJCNSNPJLILBHV-RISCZKNCSA-N 254.374 2.384 0 30 CEAC CCOC(=O)[C@@H]1CC1(Br)Br 146792595 UZRMNZSTNIVKJH-BYPYZUCNSA-N 271.936 2.056 0 30 CEAC CC(C)(C)OC(=O)N1CC(C23CC(C(=O)O)(C2)C3)C1 606301686 WJYSUWUVZGYYDJ-UHFFFAOYSA-N 267.325 2.108 0 30 CEAC Cc1ccc2c(c1)C(=O)[C@](O)(c1ccccc1)C(=O)N2 173549 WUVHWSVYRHVRET-MRXNPFEDSA-N 267.284 2.018 0 30 CEAC COC(=O)Cc1nc(NC(=O)c2cccs2)sc1C 117959 ARLSYIAEWZRBSY-UHFFFAOYSA-N 296.373 2.481 0 30 CEAC C[C@@H](Oc1cnc2ccc(Cl)cc2n1)C(=O)O 29473831 VRZDVLCSEWBWSP-ZCFIWIBFSA-N 252.657 2.135 0 30 CEAC COC(=O)[C@H]1C(O)=C(Cl)C(O)=C(Cl)[C@@H]1C 33608514 BRUORQOYZCQXEW-QWWZWVQMSA-N 253.081 2.442 0 30 CEAC CCOC(=O)N1CCC[C@@](OC)(c2ccccc2)C1=O 5856165 SYCBZOVZEXSPEZ-OAHLLOKOSA-N 277.320 2.307 0 30 CEAC O=C(O)c1cc2ccc(Br)cc2nc1C(=O)O 32099205 VAXBHJZBCSBXTC-UHFFFAOYSA-N 296.076 2.394 0 30 CEAC Cc1[nH]c2ccccc2c1CCN1CCC[C@@H](O)C1 33866208 QTSGIPLJZBOWNT-CYBMUJFWSA-N 258.365 2.476 0 30 CEAC COC(=O)c1cc(C)c(F)c(N)c1Br 2265385812 XRTPWCLJJTXEPH-UHFFFAOYSA-N 262.078 2.265 0 30 CEAC Cc1ccc(Cl)cc1N1C(=O)CSCC1=O 101386 BBVHCYUUEICFNO-UHFFFAOYSA-N 255.726 2.255 0 30 CEAC COC(=O)c1sc([S@](C)=O)c(-c2ccno2)c1C 20443001 BKIOVFLYTVRLMM-GOSISDBHSA-N 285.346 2.236 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]2(C(=O)O)CC1 584645552 AJJSFSRSMSKRET-ZANVPECISA-N 255.314 2.108 0 30 CEAC CO[C@@H]1OC(C(C)C)(C(C)C)C(=O)N1CC(F)(F)F 32187752 LOZGVUBVUBNEPF-SNVBAGLBSA-N 283.290 2.388 0 30 CEAC CSc1nc2nccc(NC(=O)c3cccc(C)c3)n2n1 93658 XHOKMXRVODOZDP-UHFFFAOYSA-N 299.359 2.407 0 30 CEAC C[C@@H]1CN(C)[C@H](C)C[C@@H]1N1N=C(c2ccccc2)CC1=O 33639269 JREBIAFWXAAHMJ-IOASZLSFSA-N 285.391 2.352 0 30 CEAC O[C@H]1[C@H](N2CCCC2)CCC[C@]12CCCCOC2 226077527 LGVGJQFRCHKODW-ILXRZTDVSA-N 253.386 2.183 0 30 CEAC COc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c(OC)c1 245521466 UBDFIRONXUANLJ-XYPYZODXSA-N 294.351 2.129 0 30 CEAC O=S(=O)(NCC1CC1)c1ccc(F)c(Cl)c1 91216 RZEFGBOSIGEEMB-UHFFFAOYSA-N 263.721 2.167 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)[C@@H]2C(=O)O 253188080 VWIXGZCJQXOWMF-JGPRNRPPSA-N 269.341 2.354 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@H]1C(F)(F)F 700826973 ZERXRKSZKSSAJU-SFYZADRCSA-N 268.279 2.276 0 30 CEAC CSc1c(-c2ccccn2)c(N)nn1C(=O)C1CC1 130029 SLKDHIFXTKRXCE-UHFFFAOYSA-N 274.349 2.299 0 30 CEAC COC(=O)c1cnc(-c2cc(F)cc(F)c2)nc1 35323376 XGBUVKNRTMOIMC-UHFFFAOYSA-N 250.204 2.208 0 30 CEAC O=C(OCc1ccccc1)N1CC[C@@](O)(CF)[C@@H](F)C1 306900224 FDMJTUQOQPSWKN-GXTWGEPZSA-N 285.290 2.068 0 30 CEAC COCOc1cc(Br)ccc1C(N)=S 308088061 QQCFRKKRSWOVFF-UHFFFAOYSA-N 276.155 2.066 0 30 CEAC COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccccc1)N2C 26649130 OMBOXYLBBHNWHL-CBBWQLFWSA-N 259.349 2.426 0 30 CEAC CC(=O)c1c(C)c2cnc(O)nc2n(C2CCCC2)c1=O 958529011 LXLRGUPUCQJUCY-UHFFFAOYSA-N 287.319 2.123 0 30 CEAC in-vitro CCOC(=O)N1CCCN=C1NNc1cc(F)ccc1F 93495 KXEHXIDPXRNLHA-UHFFFAOYSA-N 298.293 2.100 0 30 CEAC O=C(O)/C=C/c1ccnc(-c2cc(/C=C/C(=O)O)ccn2)c1 35654005 BGCBZIDRQDDEPO-ZPUQHVIOSA-N 296.282 2.339 0 30 CEAC COC(=O)C1(c2cccc(Br)c2)CC(=O)C1 260414461 LHRPQQMNXOIYNC-UHFFFAOYSA-N 283.121 2.223 0 30 CEAC CC(C)NCC(C)(C)OC(=O)c1ccc(N)cc1 1995943 YPHUOVMAQCMPBO-UHFFFAOYSA-N 250.342 2.202 0 30 CEAC O=C(c1ccc(-c2ccccn2)s1)N1CCOCC1 124772 PEOCCXONGDPMEO-UHFFFAOYSA-N 274.345 2.283 0 30 CEAC C[C@@H](CCCCN)C(C)(C)NC(=O)CCCCCN 33611272 LGXKDXAXCUDCPF-ZDUSSCGKSA-N 271.449 2.165 0 30 CEAC Nc1ccc(C2(c3ccc(F)cc3)OCCO2)cc1N 34064940 VPEMAAMGKQQPEH-UHFFFAOYSA-N 274.295 2.238 0 30 CEAC CC(=O)O[C@@H]1C[C@H]2CC[C@H]1N(Cc1ccccc1)C2=O 252427707 CTOILXCRCXXYDH-RBSFLKMASA-N 273.332 2.129 0 30 CEAC O=S(=O)(NCc1ccc2c(c1)CCO2)c1ccccc1 113563 XIDNOIFSBQMNKZ-UHFFFAOYSA-N 289.356 2.100 0 30 CEAC OC(c1nccs1)(C(F)(F)F)C(F)(F)F 75846572 YFNPVQDQULAPPS-UHFFFAOYSA-N 251.151 2.455 0 30 CEAC CCOC(=O)[C@H]1C[C@H](O)c2cc(Cl)ccc2O1 5857652 UWQQUFIYYKCZGB-GXSJLCMTSA-N 256.685 2.088 0 30 CEAC CN(C(=N)SCCCS(=O)(=O)O)c1ccccc1 38644877 VXYYBOYEQWTFHI-UHFFFAOYSA-N 288.394 2.069 0 30 CEAC OCc1cc(Br)cc(Br)n1 71250665 OOEGPEUBRQWLQK-UHFFFAOYSA-N 266.920 2.099 0 30 CEAC CCCOc1cc(C)cc(B(O)OC(C)(C)C(C)(C)O)c1 604934441 BHMRREHBFZZXQZ-UHFFFAOYSA-N 294.200 2.037 0 30 CEAC O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)c(F)c1)[C@H]1C=C[C@H]2C1 100237672 KUEKSEKKGSRTFY-XMUKKISLSA-N 275.254 2.276 0 30 CEAC FC(F)(F)c1nnc(I)s1 82433775 WSUYSVQTWCRKOJ-UHFFFAOYSA-N 280.012 2.162 0 30 CEAC in-vitro CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC(=O)O)C1(C)C 218268233 PIKQYICYLAWBSP-RKDXNWHRSA-N 257.330 2.401 0 30 CEAC O=c1onc(-c2cccnc2)n1-c1ccccc1F 78234 OFNRLNPPLDQETO-UHFFFAOYSA-N 257.224 2.027 0 30 CEAC CC(C)N1C[C@H](COc2ccc(F)cc2)OC1=O 74120 AIPJGNAYUHQTPX-GFCCVEGCSA-N 253.273 2.434 0 30 CEAC CC(C)Cc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1 200325062 SYYMXVILDJLOPT-UHFFFAOYSA-N 278.201 2.139 0 30 CEAC O=C(Nc1ccc(Cl)cc1)N[C@H]1CCCCNC1=O 141601 KGIGQKCLQJAGTK-NSHDSACASA-N 281.743 2.130 0 30 CEAC OCCCC12CC(I)(C1)C2 2265385406 TWVQEAXFQVSDQB-UHFFFAOYSA-N 252.095 2.117 0 30 CEAC CC1=C(C)C(=O)N(Nc2cc(C(F)(F)F)cc(C)n2)C1=O 12368820 WAYZUJVVPHJZME-UHFFFAOYSA-N 299.252 2.441 0 30 CEAC C[C@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1=O 100393754 JOFZIIOLUSMLTI-ZETCQYMHSA-N 273.210 2.485 0 30 CEAC CCOC(=O)CSc1cccc(Br)n1 69018850 ULONITWHOGVJAD-UHFFFAOYSA-N 276.155 2.499 0 30 CEAC COc1ccc2[nH]c(C(=O)NCCCn3ccnc3)cc2c1 4302093 TUQMWYKBTPKBKY-UHFFFAOYSA-N 298.346 2.193 0 30 CEAC O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccn1 69271493 ROBXPKYRUKXCDH-LSDHHAIUSA-N 282.343 2.382 0 30 CEAC CCOC(=O)[C@H](C)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 38304381 ZASKAGBUBHJMCG-MNOVXSKESA-N 299.367 2.154 0 30 CEAC Clc1ncc(I)c2ncncc12 238520107 KOJJKKAFOOXEDN-UHFFFAOYSA-N 291.479 2.283 0 30 CEAC CCOC(=O)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C 260826155 VWMIQRGXMQVPSD-CYBMUJFWSA-N 255.314 2.115 0 30 CEAC COc1cc2c(Br)cccc2[nH]c1=O 150003905 RFMYZOXKZHKVNN-UHFFFAOYSA-N 254.083 2.299 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)O)C[C@H]1C(F)(F)F 2265385572 MJEDNZLNMGIKBX-FSDSQADBSA-N 283.246 2.163 0 30 CEAC COc1cc(C=O)c(NC(=O)OC(C)(C)C)cn1 96883508 INEPSPSXWMJENA-UHFFFAOYSA-N 252.270 2.250 0 30 CEAC in-vitro O=C(CC(=O)Nc1nccs1)Nc1ccccc1 95616769 CWJHOONNROVPBK-UHFFFAOYSA-N 261.306 2.110 0 30 CEAC C1=C[C@@H]2[C@H](C1)[C@H]1N=N[C@H]2[C@@H]2[C@H]3C[C@@H]([C@@H]4C=NO[C@@H]34)[C@H]21 252595498 CAZOBHQZGCRZEA-RWXXCFFKSA-N 255.321 2.278 0 30 CEAC COC[C@](NC(=O)OC(C)(C)C)(C(=O)O)c1ccccc1 234792569 AILIGXZHNJZCDT-OAHLLOKOSA-N 295.335 2.138 0 30 CEAC O=Cc1nc(Br)sc1Br 237975119 CECVPLSWZMKZMG-UHFFFAOYSA-N 270.933 2.481 0 30 CEAC CC(C)(C)OC(=O)NC[C@H]1NCCc2ccccc21 83693725 QVYKNCRSCRVYBA-CYBMUJFWSA-N 262.353 2.398 0 30 CEAC CC(C)(O)C(C)(C)OB(O)Cc1ccc(Cl)cc1 2265364207 ZYLOYUZKAMWKLJ-UHFFFAOYSA-N 270.565 2.468 0 30 CEAC C[C@@H]1C[C@@H]2O[C@@H]2C[C@@H]1COC(=O)[C@@H]1C[C@@H]2O[C@@H]2C[C@H]1C 230543110 GRWFFFOEIHGUBG-YHPVBGOXSA-N 280.364 2.157 0 30 CEAC in-vitro CC(C)(C)OC(=O)Nc1cc(CC(=O)O)ccc1O 258624126 QNMAUJZUQNNOBC-UHFFFAOYSA-N 267.281 2.366 0 30 CEAC COC(=O)c1cc(OC(F)(F)F)cc2c1OCCN2 604973109 SZUBAFDDRHFAGJ-UHFFFAOYSA-N 277.198 2.176 0 30 CEAC NCc1cc(C(F)(F)F)ccc1N1CCOCC1 12370573 IENPBNBXMPGBEX-UHFFFAOYSA-N 260.259 2.001 0 30 CEAC CCOC(=O)Cc1nc(Br)n2c1CCCC2 2265385571 MIULMRFWOCUKFK-UHFFFAOYSA-N 287.157 2.088 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@H]21 675069957 JUEQEIOVZRBEEZ-SGIHWFKDSA-N 255.314 2.010 0 30 CEAC COC(=O)c1cc(O)n(-c2ccccc2C(F)(F)F)n1 105724 CUDBWAXEDMUUNO-UHFFFAOYSA-N 286.209 2.383 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](CNCc2cccnc2)C1 95083973 QKWFUCCCHPAYKJ-CQSZACIVSA-N 291.395 2.428 0 30 CEAC O=C(NCn1nnc2ccccc21)OCc1ccccc1 15771056 QLWKGZZNXWGSSR-UHFFFAOYSA-N 282.303 2.315 0 30 CEAC O=S1(=O)C=C(c2ccc(Br)cc2)C1 1088684179 DSBCTWCOIXZLFV-UHFFFAOYSA-N 259.124 2.218 0 30 CEAC COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C1CC1 143906634 UJFBKQAYFROGQA-WDEREUQCSA-N 269.341 2.053 0 30 CEAC O=C1CCCCC(=O)OC[C@@H]2CCCC[C@@H]2CO1 98089847 KZTBGFYWYGYKCX-TXEJJXNPSA-N 254.326 2.453 0 30 CEAC O=C(O)c1cc([C@@H](O)C(Cl)(Cl)Cl)ccc1O 33608932 NDWAAEWOLHYURY-SSDOTTSWSA-N 285.510 2.494 0 30 CEAC CN(C)[C@H]1CCCC[C@H]1OC(=O)c1ccc(N)cc1O 33875451 DYZKHUPHFRSPBJ-GXTWGEPZSA-N 278.352 2.004 0 30 CEAC COc1ccc(NC(=O)c2ccc3nonc3c2)cc1 170995 VJMPYUIQBQWHDM-UHFFFAOYSA-N 269.260 2.484 0 30 CEAC COC(=O)c1[nH]cc(Br)c1Br 36432125 CBGBHYHDTIEWAA-UHFFFAOYSA-N 282.919 2.326 0 30 CEAC COC(=O)c1cc(Cl)c(Br)cn1 238357001 TWZJWLIBZNTWHA-UHFFFAOYSA-N 250.479 2.284 0 30 CEAC COC(=O)[C@@](Cl)(NC(=O)OC(C)(C)C)C(F)(F)F 584880248 QPKQSCFLAJFIOQ-MRVPVSSYSA-N 291.653 2.182 0 30 CEAC CCC1(C2=CCCCCC2)C(=O)N(C)C(=O)N(C)C1=O 32208972 IOWZYALHIKMITA-UHFFFAOYSA-N 278.352 2.324 0 30 CEAC O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nonc2c1 147923 XGFPBJKIEKGPDT-UHFFFAOYSA-N 297.270 2.246 0 30 CEAC CC(C)(C)OC(=O)Nc1nc(Cl)c2[nH]cnc2n1 34567254 FVZGELOMTPFKMY-UHFFFAOYSA-N 269.692 2.353 0 30 CEAC CC(C)(C)OC(=O)N1CCN([C@H]2CCCCC2=O)CC1 49879677 WPTDGLONFNMPDM-LBPRGKRZSA-N 282.384 2.051 0 30 CEAC CC(C)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1 93117057 LKYASUJQPMWWQN-CYBMUJFWSA-N 257.330 2.354 0 30 CEAC O=C(O)c1nc(C2CCC2)ncc1Br 205002349 UCNNMSQQYOEFHX-UHFFFAOYSA-N 257.087 2.205 0 30 CEAC CC(C)(C)OC(=O)Cn1ncc2ccnc(Cl)c21 2265385311 GVWMCMADKLNXCA-UHFFFAOYSA-N 267.716 2.426 0 30 CEAC CC(=O)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 69344 DJILQGNCXNMGHW-SNVBAGLBSA-N 283.736 2.252 0 30 CEAC CN1CCN2c3ncc(O)cc3Cc3ccccc3[C@H]2C1 21981258 DAWYIZBOUQIVNX-MRXNPFEDSA-N 281.359 2.185 0 30 CEAC world CC(=O)c1cc(F)c(N)c(I)c1 33608215 ISEGOHPEBBPFPY-UHFFFAOYSA-N 279.052 2.215 0 30 CEAC CSCc1cc(N2CCOC[C@H]2C)nc(Cl)n1 143965881 OTURQEFENKJHCN-MRVPVSSYSA-N 273.789 2.218 0 30 CEAC OC[C@@H](O)COC(c1ccccc1)c1ccccc1 139228876 QDDNUSCYDHBEEV-OAHLLOKOSA-N 258.317 2.146 0 30 CEAC in-vitro CC1(C)C(=O)OC(=O)c2cc(Br)ccc21 146526448 GQBQQBNAPQERKG-UHFFFAOYSA-N 269.094 2.424 0 30 CEAC COC(=O)c1cccn1S(=O)(=O)c1ccc(Cl)cc1 111535 QYTITFLQXNUGJP-UHFFFAOYSA-N 299.735 2.165 0 30 CEAC COC(=O)c1c(C)nn(C(C)=O)c1COc1ccccc1 126841 LARVDNRZGFHERX-UHFFFAOYSA-N 288.303 2.217 0 30 CEAC N[C@@H]1CN(C(=O)Oc2ccccc2)CC12CCCC2 98090090 OKDAPKXLHRKQEX-CYBMUJFWSA-N 260.337 2.389 0 30 CEAC CN1C(Cl)=NS(=O)(=O)c2cc(Cl)ccc21 15444398 QHVJMOJDHMPJMK-UHFFFAOYSA-N 265.121 2.073 0 30 CEAC Cc1cc2c(cc1N)S(=O)(=O)c1c-2ccc(N)c1C 25783818 DRKSCODNEHPTOR-UHFFFAOYSA-N 274.345 2.281 0 30 CEAC CCCCn1nc(C)c(I)c1N 43665087 VQUQTSUYXYJKBY-UHFFFAOYSA-N 279.125 2.178 0 30 CEAC O=C(N1CCc2ccc([C@H]3CO3)cc2C1)C(F)(F)F 669371588 ITKBZCZZROAREN-LLVKDONJSA-N 271.238 2.205 0 30 CEAC C[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1C(=O)O 95931449 LQRFFFUWTFNYFD-PWSUYJOCSA-N 263.293 2.118 0 30 CEAC COC(=O)[C@@H]1C(O)=C(Cl)C(O)=C(Cl)[C@H]1C 33608519 BRUORQOYZCQXEW-IMJSIDKUSA-N 253.081 2.442 0 30 CEAC Cc1nc2ncnn2c(O)c1CC=Cc1ccccc1 2265279223 PQPRUNZDKJADHA-UHFFFAOYSA-N 266.304 2.394 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@H]1[C@H]1CCCO1 675050167 HWTMBDBUCGZZJF-SDDRHHMPSA-N 299.367 2.266 0 30 CEAC CS(=O)(=O)c1sc(Cl)c2c1C(=O)CCC2 4351315 ZYKYXVUURDOJEA-UHFFFAOYSA-N 264.755 2.324 0 30 CEAC CN(C)[C@@H]1CCCC[C@H]1OC(=O)c1ccc(N)cc1O 33875449 DYZKHUPHFRSPBJ-TZMCWYRMSA-N 278.352 2.004 0 30 CEAC Nc1cc(-c2ccccn2)c(Br)cn1 96134472 QNIBRKJVGKTGMP-UHFFFAOYSA-N 250.099 2.488 0 30 CEAC COc1cc(F)c2c(I)n[nH]c2c1 14984141 XOCULNIYHIHFDH-UHFFFAOYSA-N 292.051 2.315 0 30 CEAC O=C(Nc1cccc(Br)n1)[C@H]1CCCOC1 54768801 HTUIOTSOTHXIIW-QMMMGPOBSA-N 285.141 2.209 0 30 CEAC in-vitro CCOC(=O)[C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 259778792 UUBKHANXCHHCFT-MNOVXSKESA-N 271.357 2.443 0 30 CEAC COC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 143871249 QREDMXZSUQPMOQ-GFCCVEGCSA-N 290.319 2.297 0 30 CEAC CCOC(=O)c1cc(F)cc(Br)c1N 37475521 ARKHVMSWNIVFLM-UHFFFAOYSA-N 262.078 2.347 0 30 CEAC COc1cc(=O)[nH]c2cc(Br)ccc12 238443717 CMMKEIZCPSXQGD-UHFFFAOYSA-N 254.083 2.299 0 30 CEAC COC(=O)[C@H]1COc2cccc(Br)c21 238334719 FXUPAYXLZPHEKC-LURJTMIESA-N 257.083 2.098 0 30 CEAC CCOC(=O)C(=CN(C)c1ccccc1)C(=O)OCC 1559147 GIDDHVVEGZZYOD-UHFFFAOYSA-N 277.320 2.133 0 30 CEAC Cc1ccc(S(=O)(=O)c2ccc(CO)cc2)cc1 95829285 RYWRJRUEUFCLEE-UHFFFAOYSA-N 262.330 2.320 0 30 CEAC in-vitro CC(C)(C)OC(=O)Nc1cc(N)ccc1C(=O)O 62831740 SPMMESVAMLIEQT-UHFFFAOYSA-N 252.270 2.314 0 30 CEAC CON(C)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 95883308 YTVUUDYUQSVIIV-JGVFFNPUSA-N 259.227 2.227 0 30 CEAC NC1=NC(=O)[C@H](Cc2ccc(OC(F)(F)F)cc2)S1 15919722 DMQYTMNDVUXBGO-QMMMGPOBSA-N 290.266 2.084 0 30 CEAC CCNC(=O)c1cc(Br)cnc1Cl 50044060 CUWTXXCBCOLWCD-UHFFFAOYSA-N 263.522 2.247 0 30 CEAC COc1cc(C(F)F)c(N)c(Br)n1 216652779 CVPJDNLKQMMCTD-UHFFFAOYSA-N 253.046 2.373 0 30 CEAC CCOC(=O)C[C@H](O)c1ccc(Br)cc1 35905313 AMCGFHIZMJGGHD-JTQLQIEISA-N 273.126 2.436 0 30 CEAC COC(=O)Cc1cc(F)cc(F)c1Br 259904774 CUUKDMNLAZKSBJ-UHFFFAOYSA-N 265.053 2.443 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@]2(C(=O)O)CCC[C@H]1C2 253185487 PUDDPVKXINRENS-TVQRCGJNSA-N 255.314 2.251 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@@H]1[C@@H]1CCCO1 675050169 HWTMBDBUCGZZJF-TUAOUCFPSA-N 299.367 2.266 0 30 CEAC CC(C)[C@@H](CO)Nc1ccc(Br)cn1 80789654 RMGXSKJKKKIQHR-SECBINFHSA-N 259.147 2.273 0 30 CEAC C[C@@H](CN(C)C)[C@@H](C)OC(=O)c1ccc(N)cc1 2040221 MTNXJJYHFCSXCP-WDEREUQCSA-N 250.342 2.012 0 30 CEAC COc1ccc(C(=O)N(C(C)C)C(C)C)c(CO)c1 39123252 LWJPFEZCJTVYKS-UHFFFAOYSA-N 265.353 2.447 0 30 CEAC O=C1OCc2ccc(NC(=S)NCc3ccco3)cc21 171164 VFDZJQCCRQXTCL-UHFFFAOYSA-N 288.328 2.437 0 30 CEAC CC(C)(C)OC(=O)NCc1ccc(C(=O)O)s1 34925961 UMCZWRPDQUJJRY-UHFFFAOYSA-N 257.311 2.471 0 30 CEAC C[C@H](O)[C@@H](C)C[Sn](C)(C)C 195775937 UTCNFNFJDKDEIR-GJAVXFBXSA-N 250.958 2.342 0 30 CEAC CCCC(C)(SCC(=O)O)SCC(=O)O 2160632 CWAPEAHYJDCOPM-UHFFFAOYSA-N 252.357 2.138 0 30 CEAC CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC 4344323 OIVIEPBORBEWRC-ZJUUUORDSA-N 258.362 2.062 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H](CC(N)=S)C1 95762266 FRUBOLNDTHUZMM-SECBINFHSA-N 258.387 2.310 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H]1C(F)(F)F 238072913 QNGZBEKMAQFKPH-SFYZADRCSA-N 268.279 2.276 0 30 CEAC CC(C)(C)OC(=O)N[C@@H]1COCc2cc(C(=O)O)ccc21 2265385655 XRLZCUYJBXHYBC-GFCCVEGCSA-N 293.319 2.481 0 30 CEAC O=C(O)C[C@H]1SC(c2cccc(Cl)c2)=NC1=O 151293 FHLYYJKNYWPGNE-MRVPVSSYSA-N 269.709 2.203 0 30 CEAC CC(SCC(=O)O)(SCC(=O)O)c1ccccc1 2160621 BPPUSEANDYGIEX-UHFFFAOYSA-N 286.374 2.495 0 30 CEAC O[C@@H](CN1CCCCC1)N1C=C(c2ccccc2)OC1 95934618 IXSSPBTZDQURHB-INIZCTEOSA-N 274.364 2.079 0 30 CEAC O=C(O)[C@H]1CCc2cc(OCCn3ccnc3)ccc21 115 IRWWXLHSNMVHNY-AWEZNQCLSA-N 272.304 2.077 0 30 CEAC in-man CCOC(=O)C[C@@H](O)c1ccc(Br)cc1 39247452 AMCGFHIZMJGGHD-SNVBAGLBSA-N 273.126 2.436 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@H]1C(F)(F)CO 257900303 HOOIUVWSRGTKKN-QMMMGPOBSA-N 251.273 2.014 0 30 CEAC CCCOC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 725347745 OVADIMXWDTUKCR-UHFFFAOYSA-N 287.356 2.267 0 30 CEAC O=C(NC(=S)Nc1ccncc1)c1ccccc1 109880 ROPVLJQRWFTWCT-UHFFFAOYSA-N 257.318 2.208 0 30 CEAC Nc1ncnc(Nc2ccc(F)cc2Br)n1 3125817 KEMMONKDKQVSBQ-UHFFFAOYSA-N 284.092 2.099 0 30 CEAC Cc1nc(N)[nH]c(=O)c1Oc1ccc(Cl)cc1 13469619 UXUUOWNZNMSPRQ-UHFFFAOYSA-N 251.673 2.106 0 30 CEAC CCOC(=O)c1c[nH]c2c(Cl)ccc(OC)c2c1=O 36075608 WRFBSLBCCKYENH-UHFFFAOYSA-N 281.695 2.367 0 30 CEAC COc1ccc(Br)cc1[S@@](C)(=N)=O 695047890 BOTNRJQOVVGTMS-ZDUSSCGKSA-N 264.144 2.493 0 30 CEAC COC(=O)Cc1cc(Br)c2c(c1)CCO2 260891392 GWRXINICUFSGFD-UHFFFAOYSA-N 271.110 2.100 0 30 CEAC OCCNC(=S)Nc1cc(Cl)cc(Cl)c1 13658898 QNVVBTYPIVOFFV-UHFFFAOYSA-N 265.165 2.272 0 30 CEAC COc1cccc(NC(N)=S)c1Br 950757305 RQBXXIHLPDSLAR-UHFFFAOYSA-N 261.144 2.113 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](C(C)(C)O)C(F)(F)F 115991585 GVPGALPCOIOGRT-LURJTMIESA-N 257.252 2.213 0 30 CEAC COc1ccc(Cl)cc1/N=N/N(C)CC(=O)O 1847784 GTGAPSOELDTFTP-OUKQBFOZSA-N 257.677 2.364 0 30 CEAC O=C(O)[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1F 37518248 SATTXAWNONVPLP-BQBZGAKWSA-N 257.648 2.138 0 30 CEAC Brc1cncc(NCc2ncc[nH]2)c1 120962524 KUSUXQJDCGCYKW-UHFFFAOYSA-N 253.103 2.179 0 30 CEAC CCc1nc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cs1 328307222 FKADKJXCKBGVJE-VIFPVBQESA-N 286.353 2.356 0 30 CEAC N[C@H](CO)c1cc(Cl)cc(Br)c1 95636550 PUIYJAKPFORUNO-MRVPVSSYSA-N 250.523 2.095 0 30 CEAC Cc1cc(C)c(-c2ccn(C(=O)c3snnc3C)n2)[nH]1 114665 CHCWVEZYMVHBDC-UHFFFAOYSA-N 287.348 2.343 0 30 CEAC CCN(CC)CCOC(=O)c1ccc(Cl)c(N)c1 2020620 YVULPTRVRVTWAA-UHFFFAOYSA-N 270.760 2.421 0 30 CEAC Clc1cc(-c2nnn[nH]2)ccc1Br 95218947 IDHJHDGEXQRVJA-UHFFFAOYSA-N 259.494 2.283 0 30 CEAC CSc1nc(N)n2nc(-c3ccccc3)cc2n1 94994 VIIDTEVOTIWLQP-UHFFFAOYSA-N 257.322 2.095 0 30 CEAC CCOC(=O)[C@@H]1C[C@]12CCN(Cc1ccccc1)C2 104853508 FCWLRKKKNGDVQE-HOCLYGCPSA-N 259.349 2.462 0 30 CEAC O=C(O)[C@H]1[C@H]2C[C@@]1(c1ccc(C(F)(F)F)cc1)CO2 2265384595 XULQDDUFPUQNLZ-FOGDFJRCSA-N 272.222 2.447 0 30 CEAC CCCc1nn(C(=O)c2ccco2)cc1C(=O)OCC 81656 KXYAGIOOVGHXDC-UHFFFAOYSA-N 276.292 2.294 0 30 CEAC O=C(O)c1nccnc1C(=O)Nc1cccc2c1CCCC2 69476 KLOYKPSYDVRURA-UHFFFAOYSA-N 297.314 2.306 0 30 CEAC CC(C)(C)OC(=O)NC(=N)Cc1ccc(C(=O)O)cc1 2599213 DFTMLCCWJDCAEK-UHFFFAOYSA-N 278.308 2.429 0 30 CEAC O=C1CCCCC(=O)OC[C@@H]2CCCC[C@H]2CO1 98089848 KZTBGFYWYGYKCX-RYUDHWBXSA-N 254.326 2.453 0 30 CEAC CC[C@@H]1SC(N(C)/N=C/c2ccccc2)=NC1=O 3608287 OEXRYOWEDLZKPJ-LUHPIMIVSA-N 261.350 2.360 0 30 CEAC Cc1ccc(-c2cc(-c3c(C)nn(C)c(=O)c3N)n[nH]2)cc1 100248882 QBYGBWFAFPXSJS-UHFFFAOYSA-N 295.346 2.036 0 30 CEAC CC(C)(C)OC(=O)N1C2CCC1(CC(=O)O)CC2 642882401 WCWMQESGLQCPKZ-UHFFFAOYSA-N 255.314 2.393 0 30 CEAC COCCOCCOc1cc(N)ccc1Br 230797449 AEDRZFCHQQYICG-UHFFFAOYSA-N 290.157 2.073 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CCC[C@@H](N)[C@@H]2C1 226079495 LHUZFIWBDRHNNT-QJPTWQEYSA-N 254.374 2.371 0 30 CEAC Clc1snnc1COc1ccc2c(c1)OCO2 109150 HWBDMXLRHFBKSY-UHFFFAOYSA-N 270.697 2.499 0 30 CEAC CNS(=O)(=O)c1ccccc1Oc1ccccc1 33506540 ATLFCDGWDOSGPN-UHFFFAOYSA-N 263.318 2.387 0 30 CEAC COCCNC1CCN(C(=O)OCc2ccccc2)CC1 141323659 MRSBPLMYLLOCIF-UHFFFAOYSA-N 292.379 2.024 0 30 CEAC O=C(OCc1ccccc1)N1CCN[C@H](C(F)(F)F)C1 95930427 STXURQFQMWACFK-NSHDSACASA-N 288.269 2.159 0 30 CEAC CN1CCC(NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 36878980 DJXKHOADYQLOHC-UHFFFAOYSA-N 297.443 2.070 0 30 CEAC O=C(O)c1nc2ccc(Br)cn2c1Cl 218905594 QNEANWROZBPPER-UHFFFAOYSA-N 275.489 2.448 0 30 CEAC O=C(O)C1CCN(C(=O)c2cc(Cl)ccc2F)CC1 19269371 LCWJZPXKKPAQRB-UHFFFAOYSA-N 285.702 2.416 0 30 CEAC COc1c(Br)cc(F)c(F)c1CN 258530627 DOQSZHAUFYGCKA-UHFFFAOYSA-N 252.058 2.195 0 30 CEAC C[C@H](CC(=O)O)CC(=O)NCc1ccc(Cl)cc1 3119521 ZPZANTHYGZCVNT-VIFPVBQESA-N 269.728 2.457 0 30 CEAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1NCCC[C@H]21 307053854 WHXMZTNYRYIBBS-NOOOWODRSA-N 252.358 2.136 0 30 CEAC CCOC(=O)[C@@H]1Cc2cccc(Br)c2C1=O 309106654 AZZAWEGBMPMWLJ-MRVPVSSYSA-N 283.121 2.367 0 30 CEAC C[C@@]1(c2ccc(Br)cc2)N=C(S)NC1=O 133239834 YMEUFNWOQILYCI-JTQLQIEISA-N 285.166 2.080 0 30 CEAC CC(C)(C)OC(=O)N1CCC(=O)[C@@H](c2ccccn2)C1 204228540 XDQWKJLOWYQZNG-LLVKDONJSA-N 276.336 2.375 0 30 CEAC O=C(O)c1ccc2nc(Cc3ccccn3)[nH]c2c1 498045591 XCDRARWQZSQGEZ-UHFFFAOYSA-N 253.261 2.247 0 30 CEAC NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 61609858 BLOYETQUKLPQOU-HNNXBMFYSA-N 255.317 2.472 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CCCNC[C@@H]2C1 98090092 XTHNUAFJOORFFY-NWDGAFQWSA-N 254.374 2.243 0 30 CEAC CN1OC[C@H]2COc3ccc(Br)cc3[C@@H]21 1400433 IKMNZXXFKNSMLB-RDDDGLTNSA-N 270.126 2.376 0 30 CEAC COc1ccc(-c2ccnc3nc(N=CN(C)C)nn23)cc1 15923867 HSMBSVVEDQZTRD-UHFFFAOYSA-N 296.334 2.021 0 30 CEAC COC(=O)[C@@H]1COc2cccc(Br)c21 238342571 FXUPAYXLZPHEKC-ZCFIWIBFSA-N 257.083 2.098 0 30 CEAC C[C@@H](Oc1nc(N)ncc1Br)C1CCC1 719755195 MFGBMJJRLWMHTH-ZCFIWIBFSA-N 272.146 2.389 0 30 CEAC N[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl 146293243 IHKXUUPBTZFRKU-JTQLQIEISA-N 257.124 2.285 0 30 CEAC CCN(CC)CCOCCNCc1ccccc1 95829253 NZIXBZZPGXUCHG-UHFFFAOYSA-N 250.386 2.135 0 30 CEAC in-vitro O=S1(=O)Cc2cnoc2-c2cc(Cl)ccc21 36047228 NXNXPXYMTUIXOX-UHFFFAOYSA-N 255.682 2.282 0 30 CEAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H]1CCCN[C@H]21 307053852 WHXMZTNYRYIBBS-BJDJZHNGSA-N 252.358 2.136 0 30 CEAC CN1[C@H](c2ccccc2)CC(=O)[C@]2(O)CCCC[C@H]12 85683 HKCYHEPGBFQGFR-DZKIICNBSA-N 259.349 2.306 0 30 CEAC Cc1nc(NC(=O)c2cnccn2)ccc1Br 69552 OEZNHPCHVFGZFG-UHFFFAOYSA-N 293.124 2.195 0 30 CEAC CC(C)(CC(=O)O)CC(=O)Nc1cccc(C(=O)O)c1 151379 VSOCRPVZFVSEJD-UHFFFAOYSA-N 279.292 2.214 0 30 CEAC OCc1cc(Br)cnc1OCC(F)(F)F 50043759 LSNDOOKEVVSXHH-UHFFFAOYSA-N 286.047 2.278 0 30 CEAC Cc1noc(C)c1C(=O)Nc1ccc2c(c1)C(=O)OC2 146659 KBLYNSGWHFHNCK-UHFFFAOYSA-N 272.260 2.214 0 30 CEAC CCOC(=O)c1ccc(OCC)c(NC(C)=O)c1 71973192 LGSRNCBSAAHLEF-UHFFFAOYSA-N 251.282 2.220 0 30 CEAC Cc1cc(Cl)ccc1NCN1C(=O)CCC1=O 138647 QVVPWHZEFMCZJF-UHFFFAOYSA-N 252.701 2.167 0 30 CEAC CC(C)(C)OC(=O)NCCNCc1ccc(Cl)nc1 236787801 YXEQMWKSGNVEIU-UHFFFAOYSA-N 285.775 2.349 0 30 CEAC CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)O 223583937 DHTUEPZEWVIXGJ-UHFFFAOYSA-N 266.293 2.488 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)[C@H]2C(=O)O 253188083 VWIXGZCJQXOWMF-URLYPYJESA-N 269.341 2.354 0 30 CEAC CCO[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 5861671 PSUDQMZSXZWVJS-LLVKDONJSA-N 272.237 2.152 0 30 CEAC Fc1cc(I)c2cn[nH]c2c1 14983990 JNVXNXRFDLJOEJ-UHFFFAOYSA-N 262.025 2.307 0 30 CEAC CC[C@H](C)Oc1c(OC)cc(CCN)cc1OC 37721964 KBNIGQYPTGSZSI-JTQLQIEISA-N 253.342 2.382 0 30 CEAC CC(C)(C)OC(=O)NCC1(CO)CC2(CCC2)C1 409424216 FYPZUAJEKBOYCS-UHFFFAOYSA-N 255.358 2.454 0 30 CEAC C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)O)cn1 2265385286 BSSBMATWOSPAQF-QMMMGPOBSA-N 266.297 2.366 0 30 CEAC CS(=O)(=O)c1ccc(-c2ccc(CO)cc2)cc1 16948375 ZAJXVEAVIZXPNH-UHFFFAOYSA-N 262.330 2.249 0 30 CEAC c1ccc(C[C@@H]2CN[C@H](Cc3ccccc3)CN2)cc1 22924899 MHZXGSQZAQYQPG-QZTJIDSGSA-N 266.388 2.402 0 30 CEAC CC(C)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1 156610 IRPXOHZAVWUUKE-UHFFFAOYSA-N 259.309 2.015 0 30 CEAC CCOC(=O)[C@H](CC(=O)c1cccc(OC)c1)C(C)=O 41431911 WASNGNOCYWVARI-CYBMUJFWSA-N 278.304 2.036 0 30 CEAC CCCS(=O)(=O)c1csc(C(=O)OC)c1Cl 96528 JHLQPRLJLBWTNT-UHFFFAOYSA-N 282.770 2.372 0 30 CEAC CCOC(=O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 102072255 NESNGXUQCAJWNN-GMTAPVOTSA-N 269.341 2.338 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CC[C@@H]1C1CC1 334163931 ZVUAUTKZKOZPQQ-NXEZZACHSA-N 255.314 2.249 0 30 CEAC OCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 642814855 IPUZCZIVYIGLQB-UHFFFAOYSA-N 283.371 2.450 0 30 CEAC Cc1ccc(C)c(OCc2ccccc2[C@H](O)C(N)=O)c1 96331602 OZZHWYYPLDILTM-INIZCTEOSA-N 285.343 2.401 0 30 CEAC CC(C)(C)OC(=O)N[C@]1(c2ccccc2)CCNC1 115079439 QELMUWDFAGEENM-OAHLLOKOSA-N 262.353 2.400 0 30 CEAC COc1cc(O)cc(OC)c1C(=O)CCCN1CCCC1 5998945 BJXQAMLBAONSIX-UHFFFAOYSA-N 293.363 2.468 0 30 CEAC O=C(OCc1ccccc1)N1CCC[C@]2(CCNC2)C1 91690539 UTWLEEZMVYPFPN-MRXNPFEDSA-N 274.364 2.399 0 30 CEAC O=C(CBr)C1(c2ccc3c(c2)OCO3)CC1 382673608 HAISDXFSEWQHND-UHFFFAOYSA-N 283.121 2.411 0 30 CEAC COc1cc(/C=C2/N=C(C)OC2=O)cc(OC)c1OC 108499 BKYSSHFIJZZSSX-BJMVGYQFSA-N 277.276 2.029 0 30 CEAC CCCCCCC[C@H]1N(CCO)C=CN1CCC(=O)O 111414786 PKYRVPMDYKEHGS-CQSZACIVSA-N 284.400 2.229 0 30 CEAC CC(CCC(=O)O)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254305144 BKRPHSYZQDBACK-UHFFFAOYSA-N 296.239 2.156 0 30 CEAC COc1ccc(OCc2nc(C)c(Cl)c(=O)[nH]2)cc1 13469776 IGNBLQITXLZDBS-UHFFFAOYSA-N 280.711 2.319 0 30 CEAC CC(C)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1 93117055 LKYASUJQPMWWQN-ZDUSSCGKSA-N 257.330 2.354 0 30 CEAC O=C(Nc1c[nH]nc1[C@H]1CCCNC1)c1ccccc1 95829517 JIXWHJAPBQZCIW-LBPRGKRZSA-N 270.336 2.129 0 30 CEAC CC(C)(C)OC(=O)N[C@]1(C(=O)O)[C@H]2CCCC[C@H]21 2265360072 XMXMSNDXCPOWHB-WOFXILAISA-N 255.314 2.155 0 30 CEAC COc1ccc(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1OC 100900385 HDLNHIIKSUHARQ-CLLJXQQHSA-N 291.347 2.144 0 30 CEAC in-vitro COc1cc2c(cc1OC)[C@@H](O)[C@@]1(CCCCN1)CC2 146588856 MCAJBTMDTTZXLB-HZPDHXFCSA-N 277.364 2.196 0 30 CEAC COc1cc(CCC(=O)O)c(OC)cc1Br 83255633 NNPCNCBIVUWERF-UHFFFAOYSA-N 289.125 2.484 0 30 CEAC COc1ccc([Sn](C)(C)C)cc1 195788832 PGTKMYURPOFONH-UHFFFAOYSA-N 270.948 2.240 0 30 CEAC CCOC(=O)c1nnc(-c2ccc(OC)cc2)nc1Cl 40435061 SZBNRAXYWBUMOQ-UHFFFAOYSA-N 293.710 2.377 0 30 CEAC COC(=O)[C@@H](Cc1ccsc1)NC(=O)OC(C)(C)C 698513701 IXFPARURSYCXJU-SNVBAGLBSA-N 285.365 2.357 0 30 CEAC NC(=O)c1cc(Cl)c(Br)c(Cl)c1N 2265381508 UQFAPVHQCVMQBG-UHFFFAOYSA-N 283.940 2.437 0 30 CEAC CCCS(=O)(=O)Nc1ccccc1[C@@H](C)NC 35645000 NJUSVIUNIXKBPK-SNVBAGLBSA-N 256.371 2.119 0 30 CEAC in-vitro CCOC(=O)c1ccc(C(F)(F)F)nc1C(=O)OCC 263616589 JOGBHHWDGHXLSA-UHFFFAOYSA-N 291.225 2.454 0 30 CEAC COc1ccc(N)c(I)c1F 299889669 MQRATBCAGQYWIS-UHFFFAOYSA-N 267.041 2.021 0 30 CEAC CC(=O)N[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)O 2265378667 NCCMKRNAWVQQKG-INIZCTEOSA-N 283.327 2.485 0 30 CEAC Cc1noc(C)c1S(=O)(=O)N(C(C)C)C(C)C 111881 BLBIRPGVIAMRIM-UHFFFAOYSA-N 260.359 2.099 0 30 CEAC Fc1cc(F)cc(N2CCC3(CC2)OCCO3)c1 143874906 FMBJMOLJSDJCHW-UHFFFAOYSA-N 255.264 2.308 0 30 CEAC CCCCCC(=O)[C@H](CC(=O)OCC)C(=O)OCC 1596327 LSEFBDGMLXFCDN-NSHDSACASA-N 272.341 2.268 0 30 CEAC C=CC(=O)OC(OC(=O)C=C)C(Cl)(Cl)Cl 38656850 CTRFHBHBZQWUAW-UHFFFAOYSA-N 273.499 2.141 0 30 CEAC CC(C)(C)OC(=O)N1CC([C@H]2CCCCNC2)C1 714789840 IQKFBGNHYLJHJI-NSHDSACASA-N 254.374 2.243 0 30 CEAC CS(=O)(=O)N1CC[C@@H]1c1ccc(Br)cc1 216012968 SMVIJSFJMWNQFD-SNVBAGLBSA-N 290.182 2.156 0 30 CEAC CCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC 4344325 OIVIEPBORBEWRC-NXEZZACHSA-N 258.362 2.062 0 30 CEAC CC(C)C[C@](C)(CO)N[C@@H](CO)c1ccccc1 2242135294 NBQKMHJSWXQYOS-LSDHHAIUSA-N 251.370 2.107 0 30 CEAC COc1ccccc1NC(=O)Nc1cc(C)nn1C 148096 RVJDTOPKONRJIN-UHFFFAOYSA-N 260.297 2.381 0 30 CEAC CCN1C(=O)C(Cl)(Cl)C(=O)c2ccccc21 87708 XJBDCKNSFHNIIB-UHFFFAOYSA-N 258.104 2.410 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](CC(N)=S)C1 95762267 FRUBOLNDTHUZMM-VIFPVBQESA-N 258.387 2.310 0 30 CEAC COc1cc(I)c2cn[nH]c2c1 14984209 IQLPIJROVHZXSQ-UHFFFAOYSA-N 274.061 2.176 0 30 CEAC CCOC(=O)[C@H]1Cc2nc(C(F)(F)F)ccc2C1=O 2265378670 NRNSMBOKZRWICV-ZETCQYMHSA-N 273.210 2.019 0 30 CEAC Cc1nnsc1C(=O)N=[S@](C)(=O)c1ccccc1 13466129 KPJWVRLIHNFNHM-GOSISDBHSA-N 281.362 2.144 0 30 CEAC O=C1[C@@H]2SCCN2C(=S)N1c1ccc(Cl)cc1 170714 UCXAZCSLNKFPFQ-JTQLQIEISA-N 284.793 2.346 0 30 CEAC CCOC(=O)N(C(N)=O)c1ccccc1Br 1842067 BTPKCEPCEQYPJZ-UHFFFAOYSA-N 287.113 2.491 0 30 CEAC O=C(OCc1ccccc1)N1CCN[C@@H](C2CC2)C1 2265381503 SUAYAXMXKOTDQP-CQSZACIVSA-N 260.337 2.007 0 30 CEAC O=C1CCC2(CCN(C(=O)OCc3ccccc3)CC2)N1 261506849 BNQZZSUJLXKURE-UHFFFAOYSA-N 288.347 2.068 0 30 CEAC CCOC(=O)c1n[nH]c2c1C[C@H](C(F)(F)F)CC2 669370868 ZAVDKGTYMKQQPL-ZCFIWIBFSA-N 262.231 2.254 0 30 CEAC NC1(CNCc2ccccc2)COC(c2ccccc2)OC1 19367573 SXCSFQNJLIEUGL-UHFFFAOYSA-N 298.386 2.219 0 30 CEAC COC(=O)Cc1nc(NC(=O)c2ccccc2)sc1C 117785 XBZRZUMTFAIQAH-UHFFFAOYSA-N 290.344 2.419 0 30 CEAC c1n[nH]c(SCCCCCCSc2ncn[nH]2)n1 4344135 XYBHMEGEYIKVDW-UHFFFAOYSA-N 284.414 2.368 0 30 CEAC O=Cc1c(Cl)ccc(S(=O)(=O)O)c1Cl 95934974 YIKWQSHFMBOYON-UHFFFAOYSA-N 255.078 2.053 0 30 CEAC CNc1ccccc1[C@@H](O)CNC(=O)OC(C)(C)C 2265364212 FZTNCBUTMSROMT-LBPRGKRZSA-N 266.341 2.286 0 30 CEAC C[C@H](N)c1ccc(Br)cc1OCCCO 132050481 BSLSIYITSJPYPE-QMMMGPOBSA-N 274.158 2.230 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1nccs1 131868467 XPVWXHJYKOOHRW-ZETCQYMHSA-N 272.326 2.184 0 30 CEAC CCOC(=O)c1cnc(SC)nc1C(F)(F)F 38920944 UGTPXLQYOPJVTK-UHFFFAOYSA-N 266.244 2.394 0 30 CEAC COC(=O)c1cc(Br)nn1-c1ccccc1 59314400 NNLDUTBQEOMSBJ-UHFFFAOYSA-N 281.109 2.421 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H](CC1CCOCC1)C(=O)O 725500485 CDJYNZSBXGSGDA-LLVKDONJSA-N 287.356 2.029 0 30 CEAC O=C(O)CCOCCNC(=O)O[C@@H]1CC/C=C/CCC1 2265352322 FVWLKASTDOHBBD-YYRQZUAOSA-N 285.340 2.093 0 30 CEAC Cc1ccc(Cl)cc1NC(=O)CSCC(=O)O 101384 KEDKQSYARPIWFN-UHFFFAOYSA-N 273.741 2.405 0 30 CEAC Cc1ncc(CSc2ccccn2)c(CO)c1O 138422 FXPWZECHCHOBFT-UHFFFAOYSA-N 262.334 2.275 0 30 CEAC CC(=O)S[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O 100982 OJPWCWXRSBYOJM-NSHDSACASA-N 277.345 2.215 0 30 CEAC CC(C)(C)OC(=O)N1CCC([C@H]2CCCN2)CC1 71482207 NHFQVUKXYIVIDF-GFCCVEGCSA-N 254.374 2.386 0 30 CEAC in-vitro CC(C)(C(=O)c1ccc(F)cc1)N1CCOCC1 34550437 ACKCLIGHDRLGGK-UHFFFAOYSA-N 251.301 2.119 0 30 CEAC CCN(CC)C[C@H](O)COc1cc(C(F)(F)F)ccn1 117267 NQTKXINIXCFBIC-NSHDSACASA-N 292.301 2.182 0 30 CEAC OCc1cccc(-c2ncc(Br)cn2)c1 79449518 SSMTZHFJTFFWFU-UHFFFAOYSA-N 265.110 2.398 0 30 CEAC CC(C)(C)OC(=O)N[C@@H](C[Si](C)(C)C)C(=O)O 196859716 LMFSUXXQTKCGGW-QMMMGPOBSA-N 261.394 2.303 0 30 CEAC C[C@H](Cc1cccc(Br)c1)c1nc(=N)n(C)[nH]1 952959172 COTVFVDMQIIMRM-MRVPVSSYSA-N 295.184 2.336 0 30 CEAC Cc1ccc2c(c1)C[C@@H](N1CCN(C)CC1)[C@@H](C)C2 32266314 HXQWYDLQOIUDTJ-WMLDXEAASA-N 258.409 2.346 0 30 CEAC N=C(NO)c1ccc(Oc2ccc(C(=N)NO)cc2)cc1 16082809 SSRBFTSNCIQBIK-UHFFFAOYSA-N 286.291 2.087 0 30 CEAC Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1 39073155 BYHVSDPWMTXMEM-UHFFFAOYSA-N 252.277 2.397 0 30 CEAC CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C[C@H](C(=O)O)C2)C1 250588168 IHFGMUIRMCCXCJ-URLYPYJESA-N 269.341 2.354 0 30 CEAC CCOC(=O)NC(=S)Nc1cc(C)cc(C)n1 99173 QIZDOVXLLGMPMP-UHFFFAOYSA-N 253.327 2.141 0 30 CEAC CC[C@@H](C)[C@H](CO)NC(=O)OCc1ccccc1 142211672 RIESWPZCQMFUMF-YPMHNXCESA-N 251.326 2.320 0 30 CEAC CCOC(=O)c1n[nH]c2c1C[C@@H](C(F)(F)F)CC2 669370867 ZAVDKGTYMKQQPL-LURJTMIESA-N 262.231 2.254 0 30 CEAC CCOC(=O)[C@@H]1CC[C@H](C#N)N(Cc2ccccc2)C1 34406423 HAILJONBXUFSOI-HUUCEWRRSA-N 272.348 2.354 0 30 CEAC COC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O 84639628 UMLOEDKTWXWYHA-SECBINFHSA-N 265.092 2.472 0 30 CEAC CC1(C)CN([C@H](CN)c2ccc(Cl)cc2)CCO1 36232103 UCZJWHCFSRHCMG-CYBMUJFWSA-N 268.788 2.451 0 30 CEAC in-vitro COc1ccc(C2=NCC(=O)Nc3c[nH]c(C)c32)cc1 33826753 PGIFRZNPKQWGCQ-UHFFFAOYSA-N 269.304 2.121 0 30 CEAC CCN1CN2CCc3c([nH]c4ccccc34)[C@@H]2CC1=O 38634217 YAAQMVUNFNUTHE-AWEZNQCLSA-N 269.348 2.277 0 30 CEAC COc1cccc(NC(=S)NNC(C)(C)C)c1 99625 KMXIRVNOAHFYIT-UHFFFAOYSA-N 253.371 2.285 0 30 CEAC COC(=O)c1cc(OCC(F)(F)F)cc(C(=O)O)c1 204317847 OXEWJDFTYPBTMU-UHFFFAOYSA-N 278.182 2.113 0 30 CEAC Cn1c(C[C@@H]2Sc3ccccc3NC2=O)n[nH]c1=S 169333 JCYXAMDLMAPPQP-VIFPVBQESA-N 292.389 2.133 0 30 CEAC CCC1(CC)C(=O)NC(=O)N(CCc2ccccc2)C1=O 1844333 LPKCOSYKODKOEX-UHFFFAOYSA-N 288.347 2.114 0 30 CEAC CC(=O)N1[C@H](C)NC(=O)C1(c1ccccc1)c1ccccc1 223538108 MFRHEJJAXGKJIQ-CYBMUJFWSA-N 294.354 2.255 0 30 CEAC C[C@H](Oc1cnc2ccc(Cl)cc2n1)C(=O)O 29473836 VRZDVLCSEWBWSP-LURJTMIESA-N 252.657 2.135 0 30 CEAC CC[C@@H](CO)NC(=S)Nc1c(C)cccc1C 71823 AMLWTJNKWZXLMO-NSHDSACASA-N 252.383 2.361 0 30 CEAC CC(C)c1ccc2c(c1)O[C@]1(O)c3ccccc3C(=O)[C@@]21O 205855344 MTLDSCJATRXZIU-ZWKOTPCHSA-N 296.322 2.432 0 30 CEAC Cc1cc(N2C(=O)CS[C@@H]2c2cccnc2)no1 3149393 FJGNKWIWXZWLAA-GFCCVEGCSA-N 261.306 2.157 0 30 CEAC CC(C)(C)OC(=O)[C@H](N)Cc1csc(Cl)n1 700343631 UUAMQLIWUHZYMR-SSDOTTSWSA-N 262.762 2.008 0 30 CEAC Nc1c(C(=O)O)ccc(Br)c1Cl 139921772 QYRZWOPLVNTLAT-UHFFFAOYSA-N 250.479 2.383 0 30 CEAC C[C@H](CCNCCO[S@@](=O)(O)=S)CC(C)(C)C 96328886 ZGGAGSKXAQWTFZ-SNVBAGLBSA-N 283.459 2.189 0 30 CEAC COC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(N)c1 197989780 JSWIXCXPTGPDBA-LLVKDONJSA-N 280.324 2.008 0 30 CEAC CCOC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 157723 FRZLDOVAKYVKIA-UHFFFAOYSA-N 282.384 2.304 0 30 CEAC CNC(=O)c1ccccc1[S@](=O)c1ccccc1 5209222 LTCBCBVQNLHTDW-SFHVURJKSA-N 259.330 2.213 0 30 CEAC O=C(Nc1ccc(F)cc1)O[C@@H]1CN2CCC1CC2 129851 RUQCFKNORLVKCA-CYBMUJFWSA-N 264.300 2.468 0 30 CEAC CCc1ccc(NN2C=C[C@H](NC)[N+](C)=C2C)cc1 223583148 HEWYJRCSDQIOPK-OAHLLOKOSA-N 259.377 2.011 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](N)CC[C@@H]2C1 96897184 ZJOCZWZSGVQGDF-UTUOFQBUSA-N 254.374 2.371 0 30 CEAC O=C(O)C[C@@H]1SC(c2cccc(Cl)c2)=NC1=O 151294 FHLYYJKNYWPGNE-QMMMGPOBSA-N 269.709 2.203 0 30 CEAC Cc1cc2ncc(-c3cc[nH]c(=S)n3)c(C)n2n1 1038314 RPLVZPYABAXZBZ-UHFFFAOYSA-N 257.322 2.466 0 30 CEAC CN1CN=C(SCc2ccccc2Cl)NC1 144691 UWFFGLKTBBCSEC-UHFFFAOYSA-N 255.774 2.379 0 30 CEAC C[C@H](NCCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 707187273 DDBNDMOPDVQRKJ-JTQLQIEISA-N 273.373 2.038 0 30 CEAC O=C(O)CCc1cc(Br)ccc1[N+](=O)[O-] 396122379 UAYITNONJMUENH-UHFFFAOYSA-N 274.070 2.375 0 30 CEAC Cc1cc2[nH]cc(I)c2cn1 14986169 FHWCFWHRIYBHRT-UHFFFAOYSA-N 258.062 2.476 0 30 CEAC Cc1cc(Br)cn2c(CN(C)C)cnc12 82693503 XHRBNWBLFYLWOZ-UHFFFAOYSA-N 268.158 2.467 0 30 CEAC in-vitro O[C@@H]1[C@H](O)COC[C@H]1N1c2ccccc2Oc2ccccc21 1857792966 NCOFRYUDNSPBAN-CPUCHLNUSA-N 299.326 2.051 0 30 CEAC Cc1c(C)c(S(N)(=O)=O)c(C)c2c1OC(C)(C)CC2 2577027 XNMOEWPBTNQAQB-UHFFFAOYSA-N 283.393 2.363 0 30 CEAC CCOC(=N)[C@@H](O)c1ccc(Br)cc1 211758217 NSYKPHJFJJKYPK-VIFPVBQESA-N 258.115 2.496 0 30 CEAC CCOC(=O)[C@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 210366565 CPLPZQLLSROGLK-WDEREUQCSA-N 269.341 2.409 0 30 CEAC CN(C)C(=O)CCNc1ccc(Br)cc1 1049 ICBQXEWYZVQCFH-UHFFFAOYSA-N 271.158 2.339 0 30 CEAC in-man COc1sc(C)nc1I 2265378641 YQDVUWDGDYHRQD-UHFFFAOYSA-N 255.080 2.065 0 30 CEAC O=C(O)c1cc(C(=O)c2c(F)cccc2F)c[nH]1 37363829 WEFTWJFPDFSXFK-UHFFFAOYSA-N 251.188 2.222 0 30 CEAC COCCNc1ccc(F)cc1I 86764640 GLWFJLLGPSTPRT-UHFFFAOYSA-N 295.095 2.489 0 30 CEAC O=C1CC(C(=O)O)(c2ccc(Br)cc2)C1 82999547 GCXWSXUSPZAFJN-UHFFFAOYSA-N 269.094 2.134 0 30 CEAC O[C@H](CNC[C@@H]1COc2ccccc2O1)c1ccccc1 157208 ZIRCLALNWOIALZ-HUUCEWRRSA-N 285.343 2.150 0 30 CEAC CC(C)(C)OC(=O)N1C[C@]23CCCC[C@@]2(CNC3)C1 725343672 QNQLHHBLCMGKQG-HUUCEWRRSA-N 266.385 2.387 0 30 CEAC CC(C)(C)[C@@H](C(=O)O)n1cc(Br)cn1 205588926 ORUFCRONJKRDIO-SSDOTTSWSA-N 261.119 2.317 0 30 CEAC CC(C)c1ccc2c(c1)O[C@@]1(O)c3ccccc3C(=O)[C@]21O 205855295 MTLDSCJATRXZIU-MSOLQXFVSA-N 296.322 2.432 0 30 CEAC CCC[C@@H]1CNCCN1C(=O)OCc1ccccc1 39952232 VIKGAFRHDILOHV-CQSZACIVSA-N 262.353 2.397 0 30 CEAC FC(F)Oc1nscc1I 2265364062 ZJBOJSYJKJKRTI-UHFFFAOYSA-N 277.033 2.349 0 30 CEAC CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H]1C[C@H]2CC[C@H]1C2 300946147 OJSPXNIKKISMPL-MMWGEVLESA-N 269.341 2.401 0 30 CEAC COC(=O)c1sc([S@@](C)=O)c(-c2ccno2)c1C 12367109 BKIOVFLYTVRLMM-SFHVURJKSA-N 285.346 2.236 0 30 CEAC O=C(c1cccnc1)c1ccncc1Br 2524918 OEDQVAZABPTGGI-UHFFFAOYSA-N 263.094 2.470 0 30 CEAC O=C(O)c1cc2cc(Br)ccc2nn1 32500867 CFDSAJBDDOBOED-UHFFFAOYSA-N 253.055 2.091 0 30 CEAC O=C(O)CCNc1ccc(Br)c(F)c1 83826519 BDFLKIWHAMLCAN-UHFFFAOYSA-N 262.078 2.475 0 30 CEAC CC(C)(C)OC(=O)N1CCc2ccc(CN)cc2CC1 238147761 NHVUZKUVZJGOQQ-UHFFFAOYSA-N 276.380 2.481 0 30 CEAC CCOC(=O)[C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 259778796 UUBKHANXCHHCFT-WDEREUQCSA-N 271.357 2.443 0 30 CEAC COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)OC(C)(C)C 888084737 JTHIIAZHYJFKHG-VPOLOUISSA-N 269.341 2.099 0 30 CEAC CCCC[C@@H](CC)CNCCCS(=O)(=O)O 44831957 VPIAKMKEAUGKHE-LLVKDONJSA-N 251.392 2.070 0 30 CEAC COc1cc(CCN)cc(OC)c1OCC(F)(F)F 37721981 LMULYKOEWFMASK-UHFFFAOYSA-N 279.258 2.146 0 30 CEAC CC(C)(C)OC(=O)N(C[C@H]1CCCO1)C1CCNCC1 58040525 OPBQFEKVHILSDN-CYBMUJFWSA-N 284.400 2.155 0 30 CEAC CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C(=O)O)[C@@H]2C1 68577182 WYOZADCWRIFDFW-GARJFASQSA-N 269.341 2.354 0 30 CEAC NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 61609860 BLOYETQUKLPQOU-OAHLLOKOSA-N 255.317 2.472 0 30 CEAC N[C@@H](c1cc(Br)ccn1)C(F)(F)F 238628374 QLFQQSHAAOBALM-LURJTMIESA-N 255.037 2.406 0 30 CEAC O=c1c2c(c1=O)Nc1cc(C(F)(F)F)ccc1N2 100212017 GNBHOAAWFRVAML-UHFFFAOYSA-N 254.167 2.102 0 30 CEAC CCOC(=O)[C@@H]1[C@@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 79030515 SFCFZVQNPNMCIT-GMTAPVOTSA-N 269.341 2.195 0 30 CEAC NCCc1nc2cc3c(cc2n1-c1ccccc1)OCCO3 75975936 XKVPLVSXVBTLDB-UHFFFAOYSA-N 295.342 2.298 0 30 CEAC COc1ccc(CN2CCC(=O)C(F)(F)C2)cc1 1203957643 LOHDFBFZGBZGMI-UHFFFAOYSA-N 255.264 2.105 0 30 CEAC O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 87291 AEXBQAWVTPNVQO-UHFFFAOYSA-N 298.342 2.314 0 30 CEAC CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1c1ccccc1 95642765 PHWMOIAGYRHMSI-GFCCVEGCSA-N 276.336 2.095 0 30 CEAC COC(=O)c1ccc(C(=O)Nc2ccc(C)cc2)nc1 76844 IICKQNFCIYBPRD-UHFFFAOYSA-N 270.288 2.429 0 30 CEAC CN(C)c1cccc(N(C)C)c1CNC(=O)C(C)(C)C 141256 VAIOBHJBBARZSA-UHFFFAOYSA-N 277.412 2.481 0 30 CEAC CC(C)(C)OC(=O)[C@@H](N)Cc1ccnc2ccccc12 136860256 BPIXCHJVULVDKG-ZDUSSCGKSA-N 272.348 2.446 0 30 CEAC O=C1CCC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 96332298 PULIWCYFFJXABV-UHFFFAOYSA-N 292.251 2.414 0 30 CEAC CCOC(=O)[C@H](N)c1c(C)nn(-c2ccccc2)c1C 19230016 YRZKMHWKNNIQCJ-CQSZACIVSA-N 273.336 2.052 0 30 CEAC in-vitro COC(=O)[C@@H](CCC(F)F)NC(=O)OC(C)(C)C 95483586 MVVRNSOKIBQXBA-SSDOTTSWSA-N 267.272 2.098 0 30 CEAC CC(C)(C)OC(=O)N1Cc2ccc(C(=O)O)nc2C1 616569239 OYGRJHUIQHGYPN-UHFFFAOYSA-N 264.281 2.031 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H](N)C[C@H]2C1 250580147 AFDHNDBUQDWTBZ-SDDRHHMPSA-N 254.374 2.371 0 30 CEAC CS(=O)(=O)c1cccc(-c2ccc(C(=O)O)cc2)c1 65339843 RWAWRKUMDYQUNW-UHFFFAOYSA-N 276.313 2.455 0 30 CEAC O=C(O)CCC(=O)Nc1ccc(OC(F)(F)F)cc1 103628 DHSKPZLPOTXSHI-UHFFFAOYSA-N 277.198 2.389 0 30 CEAC CCOC(=O)CC(=O)c1ccc(OCC(F)(F)F)cn1 142977916 QZCDCIRALCQWEG-UHFFFAOYSA-N 291.225 2.159 0 30 CEAC COC(=O)[C@H](N)Cc1cc(Cl)sc1Cl 95785353 YQICUKFRYZLYQE-RXMQYKEDSA-N 254.138 2.098 0 30 CEAC O=S(=O)(/N=c1/ccc2ccccc2[nH]1)c1ccccc1 152049 BGNLMYNGHLKDDO-UHFFFAOYSA-N 284.340 2.458 0 30 CEAC CSC(=O)N[C@@]12C[C@H]3C[C@@H](C1)C[C@](C(=O)O)(C3)C2 299803236 CFJDXKRKCMCKOD-JDNZLRHBSA-N 269.366 2.483 0 30 CEAC COc1ccc(COC(=O)[C@@H](O)c2ccccc2)cc1 32144272 IYVMXKCVTJDFAQ-HNNXBMFYSA-N 272.300 2.472 0 30 CEAC O=C(Cn1nnc(-c2cccs2)n1)c1ccccc1 418296 JZMDIFZQMSZEOC-UHFFFAOYSA-N 270.317 2.285 0 30 CEAC O=S(=O)(C=Cc1ccncc1)NCc1cccs1 2265279286 DTHOSTLIGZSUKQ-UHFFFAOYSA-N 280.374 2.233 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@]2(C=C(C(=O)O)C2)C1 2265385227 TUUMXKKXTFBZMS-ZDUSSCGKSA-N 253.298 2.028 0 30 CEAC NCc1ccccc1-c1ccc(Cn2cncn2)cc1 22143265 HJMVOPQMLXEGQO-UHFFFAOYSA-N 264.332 2.452 0 30 CEAC COC(=O)[C@H]1CCN(Cc2ccccc2)Cc2ccnn21 503852521 AFXGTDJTYCFXSZ-OAHLLOKOSA-N 285.347 2.003 0 30 CEAC C[C@H](C[C@@](C(N)=O)(c1ccccc1)c1ccccn1)N(C)C 5295 BWNLUIXQIHPUGO-RDTXWAMCSA-N 297.402 2.193 0 30 CEAC in-man COCc1cc(=O)[nH]c2c1c(-c1ccccc1)nn2C 18060753 DGTAVWLCVLEGAG-UHFFFAOYSA-N 269.304 2.075 0 30 CEAC CC(C)(C)OC(=O)N1CCC(NC[C@@H]2CCCO2)CC1 36878898 CBVNVTOWVGDXBT-ZDUSSCGKSA-N 284.400 2.155 0 30 CEAC COc1ccc(N2C(=O)[C@@H](O)[C@H]2c2ccccc2)cc1 6484367 FTOHXQPVCMMHRO-CABCVRRESA-N 269.300 2.144 0 30 CEAC in-vitro C[C@@H](c1cccc(OCCCNC=O)c1)N1CCCC1 33874887 FRVWYMBOASROEV-AWEZNQCLSA-N 276.380 2.358 0 30 CEAC FC(F)(F)COc1ccc(-c2nnc(S)o2)cn1 127123 ODYNXMDKIKTRHM-UHFFFAOYSA-N 277.227 2.361 0 30 CEAC Cc1c(Br)cc(Br)c(=O)n1C 21987669 TWZKETUOMYEWTA-UHFFFAOYSA-N 280.947 2.219 0 30 CEAC COC(=O)Nc1cc(Cl)cc(NC(=O)OC)n1 33814389 SFWTVMNXBYATBW-UHFFFAOYSA-N 259.649 2.092 0 30 CEAC Cc1c(C(=O)O)nc2c(Br)cccn12 96320921 CYOZUYADRIYJNW-UHFFFAOYSA-N 255.071 2.103 0 30 CEAC NC(=O)Cc1cc(Br)sc1Br 120920 VIVSKMVQRLTLNP-UHFFFAOYSA-N 298.987 2.301 0 30 CEAC CN1Cc2ccccc2C(=O)c2cc(CC(=O)O)ccc21 33857921 KJYXUANTSFDCOA-UHFFFAOYSA-N 281.311 2.495 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2CCCNC[C@H]2C1 98090094 XTHNUAFJOORFFY-RYUDHWBXSA-N 254.374 2.243 0 30 CEAC CC(C)(C)OC(=O)NCc1ccc2c(N)noc2c1 197504973 SFLDNIPLWFVHEB-UHFFFAOYSA-N 263.297 2.435 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[C@H]2N)C1 238115333 VIKVXDCBECSADD-GRYCIOLGSA-N 254.374 2.371 0 30 CEAC C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)OC(C)(C)C 219657954 PHTBKBJNFOOBCM-SECBINFHSA-N 299.317 2.354 0 30 CEAC COC(=O)c1cc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2 260362928 MOSGHHSVRWCCIG-UHFFFAOYSA-N 280.324 2.095 0 30 CEAC CN1[C@H]2CC[C@H]1CC(NC(=O)Cc1ccccc1F)C2 100248143 WSKHBFGUDAWDLB-KBPBESRZSA-N 276.355 2.110 0 30 CEAC O=C(O)CSCC(=O)NCc1csc2ccccc12 3046411 DLGXWPQRXWEAIT-UHFFFAOYSA-N 295.385 2.335 0 30 CEAC COc1ccc([C@@H]2N[C@@H](C(=O)O)C(C)(C)S2)cc1 4370982 FFOGITXWOOXGEE-WDEREUQCSA-N 267.350 2.262 0 30 CEAC Cc1ccc([C@H](O)Cc2ccc(C=O)c(C)n2)c(C)n1 575357025 REQZODKZUDMLRK-MRXNPFEDSA-N 270.332 2.490 0 30 CEAC CC(C)(C)OC(=O)NC[C@@H]1CCCN[C@@H]1C(F)(F)F 334163889 UPVMSIXKSONTNL-IUCAKERBSA-N 282.306 2.442 0 30 CEAC Cn1nc(-c2ccccc2)cc1NC(=O)CCCC(=O)O 157301 HDHPDGZOFKPDEK-UHFFFAOYSA-N 287.319 2.281 0 30 CEAC COC(=O)c1cc(I)c(C)s1 144298098 KZNQIXNXLRMRIH-UHFFFAOYSA-N 282.102 2.448 0 30 CEAC CNCc1cccc(OCC(=O)OC(C)(C)C)c1 234421550 AYOWCKFYZKOCJH-UHFFFAOYSA-N 251.326 2.127 0 30 CEAC CC(C)(C)OC(=O)c1cnc(Br)cn1 238102996 VEWLPGCKMWWNTB-UHFFFAOYSA-N 259.103 2.194 0 30 CEAC CN(C)CCOc1ccccc1/C=C/C1=CN(C)CO1 96347724 GVYHMNMOTYGEGA-CMDGGOBGSA-N 274.364 2.401 0 30 CEAC O=C(NCCc1ccco1)c1cc(Cl)ccn1 37976670 ZAYKNMJDYMNKEA-UHFFFAOYSA-N 250.685 2.301 0 30 CEAC FC(F)(F)c1ccc(I)nn1 64034046 ZMGDYHBXBQSOJT-UHFFFAOYSA-N 273.983 2.100 0 30 CEAC in-vitro CC(C)(C)OC(=O)N1CC(c2csc(N)n2)C1 44029095 AXHHLAJHMAZEED-UHFFFAOYSA-N 255.343 2.060 0 30 CEAC CC1(C)Oc2cc(Br)c(CN)cc2O1 211366218 MUQFEKCVBXHBIK-UHFFFAOYSA-N 258.115 2.415 0 30 CEAC OCCCc1ccccc1-c1cc(CO)ccc1O 2265362234 OXWVJJXRMHVQOD-UHFFFAOYSA-N 258.317 2.476 0 30 CEAC CC(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 252517055 ZDPQEKUTKOFKQQ-ZDUSSCGKSA-N 264.394 2.239 0 30 CEAC CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/[N+](=O)[O-])C1 381964618 IEWSHPFMIMUZSI-PCGIRMHASA-N 256.302 2.424 0 30 CEAC CC(=O)Nc1ccc(NC(=O)c2ccccc2)cn1 153564 FDMFCTOYLZUAEP-UHFFFAOYSA-N 255.277 2.292 0 30 CEAC CCCC[C@H](CC)CN(CCC(=O)O)CCC(=O)O 38652128 OAHNQUKKWVAYGR-LBPRGKRZSA-N 273.373 2.454 0 30 CEAC in-vitro CC[C@@H](CO)NC(=O)OCc1ccc(Cl)cc1 242824924 FNAJTVSYHHYUGK-NSHDSACASA-N 257.717 2.337 0 30 CEAC CN(C)CCO[C@H](c1cccs1)c1ccnn1C 7743 CIJATQMMNKXTJJ-ZDUSSCGKSA-N 265.382 2.149 0 30 CEAC COc1ccc(Cl)cc1N1C(=O)C=C(C)C1=O 102374 OARLEZKPXDTTNO-UHFFFAOYSA-N 251.669 2.168 0 30 CEAC O=C1c2ccccc2C(=O)N1[S@@](=O)c1ccccc1 4979160 JRBVENZNVISJCU-LJQANCHMSA-N 271.297 2.005 0 30 CEAC C=CCc1cc(C(C)(C)C)ccc1OC[C@H](O)CO 33825015 XPOXPTLEXHZSHD-CQSZACIVSA-N 264.365 2.445 0 30 CEAC CCOC(=O)[C@@H](N)c1c(C)nn(-c2ccccc2)c1C 19230015 YRZKMHWKNNIQCJ-AWEZNQCLSA-N 273.336 2.052 0 30 CEAC in-vitro COc1cc2c(Cl)ncnc2cc1OC(C)=O 90529038 SDLKYGFWIOTIHR-UHFFFAOYSA-N 252.657 2.217 0 30 CEAC CC(C)(C)OC(=O)[C@@H]1CCN(CC(F)(F)F)C1 98210071 LTOQAOLLIKVIKG-MRVPVSSYSA-N 253.264 2.212 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CC(=O)O)C[C@@H]21 687732802 JSVBJWIXWVXQCH-AEJSXWLSSA-N 255.314 2.107 0 30 CEAC NCc1ccc(OC(=O)NCc2ccccc2)cc1 221025279 LOALWILXZKYZHE-UHFFFAOYSA-N 256.305 2.434 0 30 CEAC CC(C)(C)[C@H](C(=O)O)n1cc(Br)cn1 205588942 ORUFCRONJKRDIO-ZETCQYMHSA-N 261.119 2.317 0 30 CEAC O=S(=O)(NC1CC1)c1ccc(F)cc1Br 37574465 NSWWHFJQXKZEID-UHFFFAOYSA-N 294.145 2.029 0 30 CEAC COc1ccc(CC2(O)CCC3(CC2)OCCO3)cc1 86082 ZJZMNWMGDHTAQI-UHFFFAOYSA-N 278.348 2.286 0 30 CEAC CC(C)(C)OC(=O)N[C@](C)(Cc1ccc(O)cc1)C(=O)O 2583336 VVFJCRNSRSSPOW-OAHLLOKOSA-N 295.335 2.303 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](N)CCC[C@H]2C1 307067046 VIKVXDCBECSADD-SRVKXCTJSA-N 254.374 2.371 0 30 CEAC NNc1c(Br)cccc1OC(F)F 306875045 BOCWRMIOHHUWAE-UHFFFAOYSA-N 253.046 2.336 0 30 CEAC Nc1nccc(I)c1C(F)F 238699252 UERYKYLKQFMRRT-UHFFFAOYSA-N 270.020 2.206 0 30 CEAC Oc1c(F)ccc(I)c1F 575694239 FFVQXNVBVPXDQV-UHFFFAOYSA-N 255.989 2.275 0 30 CEAC O=S(=O)(O)[C@H](O)c1ccc(F)c(Oc2ccccc2)c1 38634509 RQTZBKYKLAEYGI-ZDUSSCGKSA-N 298.291 2.497 0 30 CEAC CCS(=O)(=O)c1ccc(C(F)(F)F)cc1N 1666835 BSSGSFJFQBQCFO-UHFFFAOYSA-N 253.245 2.081 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](CN)C(F)(F)CC1 218187900 YVNGIYOAFLAQQP-VIFPVBQESA-N 264.316 2.228 0 30 CEAC COCCc1ccc(OC[C@@H](O)CN(N=O)C(C)C)cc1 5760256 CHTOBGHTYDROBB-AWEZNQCLSA-N 296.367 2.007 0 30 CEAC O=C(O)c1ccccc1[S@](=O)c1ccccc1CCO 134005 ZPOBTIITPIAJFL-FQEVSTJZSA-N 290.340 2.086 0 30 CEAC FC(F)(F)c1ccc(-n2nnnc2-c2ccno2)cc1 121745 RLCMJCKBOMYQAL-UHFFFAOYSA-N 281.197 2.336 0 30 CEAC CCOC(=O)c1cnn2cc(F)cc(Br)c12 953019216 DERBEKFFWKOFMO-UHFFFAOYSA-N 287.088 2.413 0 30 CEAC O=C(O)C1=NN(c2cccc(Br)c2)C(=O)CC1 20285076 QOYPWLUYLQGDNU-UHFFFAOYSA-N 297.108 2.017 0 30 CEAC CC(C)CC(=O)[C@@H]1C(=O)C[C@]2(CCC(C)(C)O2)C1=O 100126483 NDWVLRIACYVJEO-IUODEOHRSA-N 266.337 2.088 0 30 CEAC O=c1ncn(Cc2ccccn2)cc1-c1ccccc1 90812 DIIFTFFVFCUUIK-UHFFFAOYSA-N 263.300 2.354 0 30 CEAC c1ccc([C@@H](c2nccs2)N2CCNCC2)cc1 19729234 WBXYBQQCOUNAII-ZDUSSCGKSA-N 259.378 2.138 0 30 CEAC Cc1cc(-n2nnnc2S)ccc1Br 99598 JIIJAYOORMAUJY-UHFFFAOYSA-N 271.143 2.022 0 30 CEAC CCc1nc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cs1 328307221 FKADKJXCKBGVJE-SECBINFHSA-N 286.353 2.356 0 30 CEAC C[C@H]1CC(C)(C)OB(OB2O[C@@H](C)CC(C)(C)O2)O1 195761411 KUZYYSNLEIAJQJ-UWVGGRQHSA-N 269.943 2.181 0 30 CEAC CC(C)(C)OC(=O)N1CC[C@@H](C23CC(O)(C2)C3)C1 2265385433 XEOBLHZWINHPKW-GWMXKSKGSA-N 253.342 2.158 0 30 CEAC CCOC(=O)C1(C(=O)OCC)CC2(CC(F)C2)C1 606302865 AKGBJWMAPGIRKE-UHFFFAOYSA-N 258.289 2.011 0 30 CEAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@@H]1C1CC1 334163934 ZVUAUTKZKOZPQQ-ZJUUUORDSA-N 255.314 2.249 0 30 CEAC O=C(NC1CCN(C(=O)C2CCC2)CC1)C1CCCCC1 162823 XYICWPVBPMFPFW-UHFFFAOYSA-N 292.423 2.474 0 30 CEAC O=C(C1CCNCC1)N1N=CC[C@@H]1c1cc(F)cc(F)c1 1848349941 IIMINBOVNGIPRY-CQSZACIVSA-N 293.317 2.224 0 30 CEAC NCCC1(O)CN(C(c2ccccc2)c2ccccc2)C1 675050669 GXDJUHUNRNETON-UHFFFAOYSA-N 282.387 2.172 0 30 CEAC Nc1nc2cc(C(F)(F)F)c(Br)cn2n1 953081549 XAJRTTGITUXOEJ-UHFFFAOYSA-N 281.035 2.093 0 30 CEAC CC(C)(C)OC(=O)Cn1cc2ccnc(Cl)c2n1 2265384953 JVYWSXVBZMSDMP-UHFFFAOYSA-N 267.716 2.426 0 30 CEAC CC(C)(CCc1ncno1)NC(=O)OC(C)(C)C 71372529 DXAMISMCGAZTTC-UHFFFAOYSA-N 255.318 2.306 0 30 CEAC in-vitro