smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CCC(=O)N/N=C/c1ccccc1C(F)(F)F 48585 SIBLVDWGFRRKAY-FRKPEAEDSA-N 255.199 2.069 50 50 CEGA COc1ccc(Br)cc1/C=C(/C#N)C(=O)O 6230657 SQEMXWLJLPWUFJ-YWEYNIOJSA-N 282.093 2.449 50 50 CEGA O=C(COc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 261288 DCOPZLNBENXLIU-MHWRWJLKSA-N 299.286 2.124 50 50 CEGA C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(N)cc1 12343246 ILXNTFXWEFCPIA-LICLKQGHSA-N 298.302 2.331 50 50 CEGA Cc1cccc2c1c(CCNC(=O)CCl)cn2C 1875374938 KNBLSELKRCHZPU-UHFFFAOYSA-N 264.756 2.384 50 50 CEGA O=S(=O)(NCCBr)c1ccc(Cl)cc1 2570325 RAHOHKTXDOPJHI-UHFFFAOYSA-N 298.589 2.013 50 50 CEGA in-vitro Cn1ncc(C2CC2)c1/C=N/NC(=O)c1ccccc1 2325756806 JHLKJDIJDMFJQF-MHWRWJLKSA-N 268.320 2.061 50 50 CEGA CC(=O)NNc1nc(Cl)c(C#N)c(Cl)c1Cl 50100 DUVOFWWPUJSLPQ-UHFFFAOYSA-N 279.514 2.376 50 50 CEGA CC(C)(C)c1ccc(COc2ccc(B(O)O)cc2)cc1 197957892 SOEORXWYZSPZCL-UHFFFAOYSA-N 284.164 2.243 50 50 CEGA OB(O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 169922478 OCZXYAVYBZVAJM-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro N#C/C(=C/c1c[nH]c2ccccc12)c1n[nH]c(N)c1C#N 12352656 OJMXHLJIMZMFGX-UITAMQMPSA-N 274.287 2.409 50 50 CEGA Cc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 291038 ZAYBOHZHQUPBKZ-VHWUNXFSSA-N 296.326 2.285 50 50 CEGA C[C@H](Cl)C(=O)N1CCOc2c1ccc(F)c2F 1875377973 SKOJHFKAWDXYFL-LURJTMIESA-N 261.655 2.318 50 50 CEGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(O)cc1 32603817 LBSFQLMOPJKPOQ-ZDLGFXPLSA-N 283.331 2.263 50 50 CEGA O=C(CCl)NC[C@H]1[C@H](c2ccccc2)C1(F)F 1354192615 GKGPZUQKWOWSHM-ONGXEEELSA-N 259.683 2.390 50 50 CEGA BrCC(Br)Br 97953846 QUMDOMSJJIFTCA-UHFFFAOYSA-N 266.758 2.497 50 50 CEGA in-vitro Cc1cccc(NCC(=O)N/N=C/c2ccccc2O)c1 58890 IMZSSIBJVGMNDE-VCHYOVAHSA-N 283.331 2.263 50 50 CEGA Cc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1 584683 WHQPFISIZBMHQS-LICLKQGHSA-N 284.315 2.230 50 50 CEGA Cc1csc(C2(NC(=O)[C@H](C)Cl)CCOCC2)n1 1875378090 VOSAYOXSJVHQOR-VIFPVBQESA-N 288.800 2.201 50 50 CEGA O=c1[nH]c(CCl)nc2ccc(Br)cc12 5932262 YWQRRCDOIGNYEJ-UHFFFAOYSA-N 273.517 2.424 50 50 CEGA Cc1cccc(OCC(=O)N/N=C/c2ccc(C#N)cc2)c1 358311 KPRGGPOZUBEBDA-YBFXNURJSA-N 293.326 2.396 50 50 CEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 2566411 SJJXIDKDUCJSQH-GZTJUZNOSA-N 281.315 2.084 50 50 CEGA Cn1cccc1CC(=O)N/N=C/c1ccccc1Cl 4888958 WFMLQEKGCOQIHJ-MHWRWJLKSA-N 275.739 2.371 50 50 CEGA O=C(NNC(=O)[C@H]1[C@H]2CCCC[C@H]21)NC1CCCCC1 245326413 JVWMVMVCRKXTPU-CLLJXQQHSA-N 279.384 2.086 50 50 CEGA Cc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)o1 72590 HZIFFHKRTCPYPR-CAOOACKPSA-N 282.303 2.088 50 50 CEGA COC(=O)N/N=C(\C)CC(=O)Nc1cc(C)ccc1C 5681987 VKHXIGWQYCZBDL-LFIBNONCSA-N 277.324 2.364 50 50 CEGA Cc1ccccc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 291036 NUMAOMQUAIPBIT-HKJBKDEOSA-N 296.326 2.285 50 50 CEGA O=C(N/N=C/c1ccc(Cl)cc1)c1n[nH]c2c1CCC2 5295363 KLJBNMCVQCFPSU-LZYBPNLTSA-N 288.738 2.316 50 50 CEGA O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccco1 4002909 PDNRWPPOOJTTQC-LICLKQGHSA-N 280.287 2.434 50 50 CEGA Cc1cc(C)nc(NNC(=O)[C@@H](C)c2ccccc2)n1 122109287 ZWXAAOXMOUHOOK-LBPRGKRZSA-N 270.336 2.340 50 50 CEGA O=C(N/N=C/c1ccccc1O)c1cccc([N+](=O)[O-])c1 59610 RMHSVTCXLRMIRJ-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA Cc1nnc(-c2cc(F)ccc2NC(=O)CCl)o1 1875374860 HQXPHDIMFDXDNP-UHFFFAOYSA-N 269.663 2.361 50 50 CEGA O=C(O)CC/C(=N\NC(=O)c1ccncc1)c1ccccc1 4039074 KUKGXWMNCZIDQD-NBVRZTHBSA-N 297.314 2.081 50 50 CEGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2C=C[C@@]1(CO)O2 216511826 AWNRVSXEACVHJX-WZRBSPASSA-N 256.418 2.467 50 50 CEGA CCOC(=O)/C(C#N)=C/N1CCCc2ccccc21 126920 CQQPOEPVLMKPHG-ACCUITESSA-N 256.305 2.410 50 50 CEGA CC(=O)O[C@H]1NC(=O)[C@@H]1[C@H](C)O[Si](C)(C)C(C)(C)C 169975651 GWHDKFODLYVMQG-PTOFAABTSA-N 287.432 2.032 50 50 CEGA COC[C@H](NC(=O)[C@@H](C)Cl)c1ccc(F)c(F)c1 1875378137 WFGCBVAWWDEQQG-HQJQHLMTSA-N 277.698 2.396 50 50 CEGA O=C(CCl)NCCOc1ccc(Cl)c(F)c1 1875374873 ICAFMWDDDROLAZ-UHFFFAOYSA-N 266.099 2.213 50 50 CEGA COCc1[nH]nc2c1[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 20064770 WWCHKHPPGPKKIL-SKDRFNHKSA-N 286.335 2.082 50 50 CEGA O=C(CCl)N[C@@H](c1ccccc1)[C@@H]1CCOC1 1875375099 RAXIJKLKKXAJOQ-YPMHNXCESA-N 253.729 2.119 50 50 CEGA CC[C@H](CO)N(Cc1ccc(OC)c(C)c1)C(=O)CCl 1875381867 KAFMRCUHMIUHFN-CYBMUJFWSA-N 299.798 2.342 50 50 CEGA Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccccc1 442027 LUVMABWEFWBUNX-NTEUORMPSA-N 265.316 2.486 50 50 CEGA N#CC1(c2ccccc2)CC2(CN(C(=O)CCl)C2)C1 1875375260 WLJBNNYODYTHQF-UHFFFAOYSA-N 274.751 2.309 50 50 CEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1 2903401 NDPQERXHHVFPMW-OQLLNIDSSA-N 287.344 2.145 50 50 CEGA CCOC(=O)C(C#N)=C1CC(C)(C)NC(C)(C)C1 105336 FXHSUAUPOANIDE-UHFFFAOYSA-N 250.342 2.310 50 50 CEGA O=C(CI)Nc1ccccc1 34396225 YXNAWCUIZOCJNG-UHFFFAOYSA-N 261.062 2.060 50 50 CEGA O=C(N/N=C/c1ccc(F)cc1)c1cc(C2CC2)n[nH]1 5687358 BLNLRCOFSQGZKT-LZYBPNLTSA-N 272.283 2.190 50 50 CEGA Cc1ccc(NC(=S)NNC(=O)c2ccco2)cc1 13477461 XBIXRPLLOYLCSD-UHFFFAOYSA-N 275.333 2.219 50 50 CEGA C[C@@H](Cl)C(=O)NC[C@@]1(C)OCCc2sccc21 1875377316 BWPJVHVCXNTAIH-PRHODGIISA-N 273.785 2.280 50 50 CEGA C[C@H](Cl)C(=O)N1CCC(C#N)(c2ccccn2)CC1 1875377847 PEDCVICBKDRTDA-NSHDSACASA-N 277.755 2.093 50 50 CEGA O=C(CNc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 58805 DYNBMZXEKIWKGP-LICLKQGHSA-N 298.302 2.157 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)OC(C)(C)C 2865046 CDXONFDABIHHRH-UHFFFAOYSA-N 250.298 2.165 50 50 CEGA COc1ccccc1C(=O)N/N=C/c1ccccc1O 3091543 ODGFFCHQDORMGV-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA NC(=S)NNC(=O)N(c1ccccc1)c1ccccc1 71772897 NXSQXKKLKGKIOD-UHFFFAOYSA-N 286.360 2.283 50 50 CEGA O=C(Cc1cccs1)N/N=C/c1ccc(C(=O)O)cc1 314513 WHCBFNQWDPPSSQ-OQLLNIDSSA-N 288.328 2.139 50 50 CEGA O=C(NN=C1CCCC1)C(=O)Nc1ccc(Cl)cc1 4611378 FQXZEDVIPZKODG-UHFFFAOYSA-N 279.727 2.325 50 50 CEGA COc1cccc(OC)c1C(=O)CBr 2576089 NCSDTJAJQKENMG-UHFFFAOYSA-N 259.099 2.281 50 50 CEGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc(O)c1 207985 DLLCXAZXLQGISA-HNNXBMFYSA-N 279.299 2.193 50 50 CEGA C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1cccc(N)c1 5019598 ZFMUMOQQYJDOPM-XDHOZWIPSA-N 296.374 2.489 50 50 CEGA Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1B(O)O 203024474 SIHMKALMXIRIEV-UHFFFAOYSA-N 280.249 2.367 50 50 CEGA O=C(N/N=C/c1ccncc1)[C@H]1C[C@@H]1c1ccccc1 4992208 OKKNNFXWQVSBIM-PKMXSDERSA-N 265.316 2.335 50 50 CEGA CCCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36007880 GWOGGNVWVQQRJK-NTEUORMPSA-N 279.296 2.331 50 50 CEGA CS(=O)(=O)c1cc(CBr)ccc1F 115039804 QBVVLSGKJVQKTJ-UHFFFAOYSA-N 267.119 2.124 50 50 CEGA O=C(CCl)N(CCc1ccccc1)[C@H]1CCOC1 1875364418 MHOMYVOEWBHXEZ-ZDUSSCGKSA-N 267.756 2.085 50 50 CEGA C[C@H](Cl)C(=O)N1CC[C@@H](CC#N)C(F)(F)CC1 1875370276 IQPVVRHXUYUDLN-DTWKUNHWSA-N 264.703 2.401 50 50 CEGA CC(C)NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)[nH]1 806564540 AXOLGRUKTLZYNP-VMPITWQZSA-N 271.242 2.465 50 50 CEGA N#C/C(=C\C=C\c1ccccc1)C(=O)NC[C@@H]1CCCO1 1188517 PSSQOSPRNFYUDV-QRPGHVOFSA-N 282.343 2.445 50 50 CEGA C=CCSC1=C(C#N)C2(CCCC2)[C@@H](C#N)C(=O)N1 6780877 RGDSOSNQOHOLIK-JTQLQIEISA-N 273.361 2.471 50 50 CEGA N#CC1=C(c2ccc(Br)cc2)COC1=O 170475 PPOYNWDABZQQRK-UHFFFAOYSA-N 264.078 2.283 50 50 CEGA COc1ccc(/C=N/NC(=O)Cc2ccccc2)c(OC)c1 512022 WUFJQERHXRWLKR-LDADJPATSA-N 298.342 2.397 50 50 CEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1cccs1 4229154 JDCOOLSUBPIPKF-CXUHLZMHSA-N 297.339 2.354 50 50 CEGA CC(=O)N1CCc2cccc(NC(=O)[C@@H](C)Cl)c21 1875364149 FRJRAVCBZIRUEK-MRVPVSSYSA-N 266.728 2.161 50 50 CEGA CCCC/C(=N/NC(N)=O)c1cc(OC)cc(OC)c1 4826795 JBQOIJODRPVPFN-SSZFMOIBSA-N 279.340 2.266 50 50 CEGA Cc1ccccc1CN1CCC(NC(=O)CCl)CC1 238855819 SUPBNMULIIPJGW-UHFFFAOYSA-N 280.799 2.314 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccoc2C)c1OC 258112 FBFIXIUKJTWMLS-CXUHLZMHSA-N 288.303 2.369 50 50 CEGA NNC(=O)c1cccc2c1ccn2Cc1ccccc1 1857533535 HTIDRHNKNIQEPO-UHFFFAOYSA-N 265.316 2.293 50 50 CEGA Cc1ccc(/C(N)=N/NC(=O)OC(C)(C)C)cc1F 43769302 NYJHLYTWIXNWKQ-UHFFFAOYSA-N 267.304 2.279 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 1875363921 DOGYIPAWXHFIEH-HBNTYKKESA-N 255.749 2.110 50 50 CEGA COc1ccc(CCNC(=O)CCl)c(Cl)c1OC 1875377936 RPGAVHXOFRGSAK-UHFFFAOYSA-N 292.162 2.255 50 50 CEGA CCOc1ccccc1NC(=O)NNC(=O)C(C)(C)C 5041810 RGOATORDAGTOKT-UHFFFAOYSA-N 279.340 2.284 50 50 CEGA O=C(NN=Cc1c[nH]c2ccccc12)[C@H](O)c1ccccc1 252680249 XZPRGEIKKWWZRI-MRXNPFEDSA-N 293.326 2.352 50 50 CEGA C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)C(=O)O 13543949 KJQJFOWJZVEOCI-LFIBNONCSA-N 292.335 2.074 50 50 CEGA O=C(CCl)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 1319681948 GRZDQDGBJHGGCU-CQSZACIVSA-N 281.739 2.264 50 50 CEGA IC[C@H]1CC2(CCC2)CO1 536947979 SIFMUSWUAPDMQW-SSDOTTSWSA-N 252.095 2.381 50 50 CEGA O=C(N/N=C/c1ccccc1Cl)c1ccncc1 61585 BHNPCKGCEVFCOP-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA C[C@@H](COCc1ccccc1)NC(=O)[C@@H](C)Cl 307411949 HTTSVYZTEWKOQX-WDEREUQCSA-N 255.745 2.335 50 50 CEGA OB(O)c1ccccc1COc1cccc2ccccc12 170161537 QXLULGNNNOYHIY-UHFFFAOYSA-N 278.116 2.099 50 50 CEGA COc1cccc(/C=N/NC(=O)Cc2cccs2)c1 554105 FVESUGCHAUBUJT-XNTDXEJSSA-N 274.345 2.450 50 50 CEGA COc1ccc(/C=C(\C#N)c2nnc(N)s2)cc1 4091147 UEUIVCJTVIHWAU-RMKNXTFCSA-N 258.306 2.193 50 50 CEGA Cc1occc1C(=O)N/N=C\c1ccc(N(C)C)cc1 33154802 LIUDZNAFBRMBNI-YBEGLDIGSA-N 271.320 2.418 50 50 CEGA CO[C@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245256957 UPQWOGYWJGJJFP-AZGQCCRYSA-N 297.626 2.464 50 50 CEGA C[C@@H](Cl)C(=O)NCc1nnc(C(C)(C)C)s1 1875364343 OFYPFERORZZIKE-ZCFIWIBFSA-N 261.778 2.079 50 50 CEGA OB(O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 169922485 LNWNXHQLHDTDAW-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro COc1ccc2nc(NC(=O)CCl)sc2c1 9090162 OYGSDMFSKFBVOM-UHFFFAOYSA-N 256.714 2.482 50 50 CEGA COc1cc2oc(=O)cc(C)c2cc1OC[C@H](O)CCl 22016626 QGGDVNDLHBQBKS-SECBINFHSA-N 298.722 2.089 50 50 CEGA CCCOc1c(Cl)cc(C(=O)NN)cc1OCC 270268630 ZZVIOGGAJQDOFX-UHFFFAOYSA-N 272.732 2.131 50 50 CEGA Cc1ccc(/C=N/NC(=O)CCC2(O)CCCC2)o1 301334 AMDRWXBJXODSSF-XNTDXEJSSA-N 264.325 2.123 50 50 CEGA COC(=O)C[C@@H](Br)C(=O)c1cccs1 1857796339 CRFILRFPMJGCPK-ZCFIWIBFSA-N 277.139 2.257 50 50 CEGA O=C(NNC(=O)[C@@H]1C=CCCC1)c1cc(Cl)ccc1O 332805 BLJHAPIMPNZLIW-SECBINFHSA-N 294.738 2.163 50 50 CEGA NNC(=O)c1sc2ccccc2c1-n1cccc1 168410 OLGOTFKDOTUCRV-UHFFFAOYSA-N 257.318 2.296 50 50 CEGA in-vitro Cc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1 299604 NCJRIXODRZMUEC-UHFFFAOYSA-N 268.316 2.378 50 50 CEGA CCOC(=O)C/C(C)=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1 5315311 ICULRNROKKFCHD-HBPRWMASSA-N 288.347 2.235 50 50 CEGA O=C(O)C[C@H](Br)C(=O)c1cccs1 2451322 OAJPFDGCBARLHL-YFKPBYRVSA-N 263.112 2.169 50 50 CEGA O=C(N/N=C/c1ccncc1)c1ccccc1Cl 431840 BBNRPLVVGHJIPV-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA C/C(=N\NC(=O)c1ccoc1C)c1ccccc1O 15884939 FYOSVRCALVWUKM-OQLLNIDSSA-N 258.277 2.448 50 50 CEGA O=c1cccc(P(c2ccccc2)c2ccccc2)[nH]1 103688245 NSVQJDRZISUWOK-UHFFFAOYSA-N 279.279 2.133 50 50 CEGA O=C(Cc1ccccc1)N/N=C/c1ccccc1O 245368 PIKSTPCXRWWXCO-LFIBNONCSA-N 254.289 2.085 50 50 CEGA COc1ccc(NCC(=O)N/N=C/c2ccc(C)o2)cc1 434086 RWGUKWCXCVLATG-RQZCQDPDSA-N 287.319 2.159 50 50 CEGA O=C(N/N=C/c1ccc2ccccc2c1)c1cnccn1 5605120 FYTWWHIKCCBBKI-VXLYETTFSA-N 276.299 2.394 50 50 CEGA O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1F 4117787 IRGPYJCZRAZEPH-UHFFFAOYSA-N 275.239 2.491 50 50 CEGA CC/C(=N\NC(=O)Cc1cccn1C)c1ccc(O)cc1 12558917 LAMCJUJTQOWEAT-BMRADRMJSA-N 285.347 2.204 50 50 CEGA CCc1ccc(Nc2nc(N)nc(CCl)n2)cc1 17969211 IRBNOXIGGKJVFI-UHFFFAOYSA-N 263.732 2.499 50 50 CEGA O=C(N/N=C/c1ccccc1)N/N=C/c1ccccc1 59739 AUOMJAPPVCBXBJ-MAEUFBSDSA-N 266.304 2.354 50 50 CEGA NNC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 1391519 OAJYHRXQFJZPDC-UHFFFAOYSA-N 287.266 2.432 50 50 CEGA O=C(NNC(=O)[C@H]1CC12CCC2)Nc1ccccc1 342693 UILPZRTUSYCTFU-LLVKDONJSA-N 259.309 2.030 50 50 CEGA CCCOc1ccc(CNC(=O)CBr)cc1 41693899 HWNHMHQSSBUCPX-UHFFFAOYSA-N 286.169 2.487 50 50 CEGA COC(=O)c1cc(C#N)ccc1CBr 95763602 TWNPQXWVXHPIJV-UHFFFAOYSA-N 254.083 2.240 50 50 CEGA O=C(N/N=C/c1ccc(O)c(O)c1)Nc1ccccc1 298243 JSACYEBKLJYNQY-OQLLNIDSSA-N 271.276 2.253 50 50 CEGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(C)n[nH]2)cc1 5033709 RTPCZMAZNDXLML-GZTJUZNOSA-N 286.335 2.271 50 50 CEGA NNC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 5593347 YOKWJIPAKFFYMF-UHFFFAOYSA-N 286.360 2.099 50 50 CEGA COc1cccc(/C=N/NC(=O)[C@H]2CC23CCC3)c1O 62460 UBYOTPZEZOPVJQ-LKBVRNOZSA-N 274.320 2.041 50 50 CEGA O=C(N/N=C1\CCc2ccccc21)c1ccncc1 4976317 MZUWVZXEXPMKCO-SAPNQHFASA-N 251.289 2.162 50 50 CEGA C/C(=N\NC(=O)Cc1ccccc1)c1cc(O)ccc1O 105623377 IZLXWFNWVXCNPV-GZTJUZNOSA-N 284.315 2.181 50 50 CEGA C[C@H](O)CP(=O)(c1ccccc1)c1ccccc1 301422 RVABRNREAZALPB-ZDUSSCGKSA-N 260.273 2.381 50 50 CEGA biogenic CC(C)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 35653750 FEPXZAYLJDRLGF-SECBINFHSA-N 256.733 2.137 50 50 CEGA CCO[Si](CCC[N+](C)(C)C)(OCC)OCC 196082857 NVFOGLOANNIJTD-UHFFFAOYSA-N 264.462 2.131 50 50 CEGA in-vitro COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 520535 QANFDVFAQQCQMU-XNTDXEJSSA-N 274.345 2.450 50 50 CEGA C[C@@](O)(C(=O)N/N=C/c1ccccc1)c1ccccc1 296705 LMUYKTVTHJIDKQ-WLSWZUKCSA-N 268.316 2.044 50 50 CEGA CCCOc1ccc(/C=N/NC(=O)c2cnccn2)cc1 1820947 UZCIMNXMTNWGTI-VCHYOVAHSA-N 284.319 2.029 50 50 CEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1 2500869 LPQPZTPVTFGVCL-OAHLLOKOSA-N 296.326 2.497 50 50 CEGA Cc1ccccc1NC(=S)NNC(=O)c1ccco1 374982 XFKNUWJJOANKOY-UHFFFAOYSA-N 275.333 2.219 50 50 CEGA NC(=O)N/N=C1\CO[C@@](CCCCl)(c2ccccc2)C1 43761611 QMGFJOCDQWRAID-MTOJCTJASA-N 295.770 2.346 50 50 CEGA CCCCOC(=O)N/N=C/c1ccc2c(c1)OCO2 2831400 QTUCLDVRGLMEJB-RIYZIHGNSA-N 264.281 2.276 50 50 CEGA COc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1 298914 FEZMFAMSVSXLOX-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA O=C(N/N=C/c1ccccc1Cl)c1n[nH]c2c1CCC2 5295368 JJFILQIEVHYFRR-LZYBPNLTSA-N 288.738 2.316 50 50 CEGA O=C(CCl)N[C@H]1CCCOc2c(F)cccc21 1875378204 XHOKISKHSJBWQT-JTQLQIEISA-N 257.692 2.394 50 50 CEGA COc1cccc(NC(=O)[C@@H](C)Br)c1 32919882 CWJKBWFMCUJFGP-SSDOTTSWSA-N 258.115 2.417 50 50 CEGA COc1cc(C)nc(NNC(=O)[C@@H]2C[C@H]2c2ccccc2)n1 796878683 GMRMNWOXSWREKI-QWHCGFSZSA-N 298.346 2.040 50 50 CEGA Cc1ccccc1C1(CNC(=O)CCl)CCOCC1 1319923625 UCGUMERXCSNEPG-UHFFFAOYSA-N 281.783 2.398 50 50 CEGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(C)cc1 229513 QRTYONXPFFWSAT-LFIBNONCSA-N 256.309 2.181 50 50 CEGA CCc1n[nH]c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 4631558 PASHMSOJFCCLGH-GFCCVEGCSA-N 284.294 2.329 50 50 CEGA Cc1ccc(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 220975669 FHNRYLAUZIMBQG-WOJGMQOQSA-N 296.326 2.386 50 50 CEGA Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1 143045 RIFHXYXVPIYGFK-UHFFFAOYSA-N 254.289 2.070 50 50 CEGA CCOC(=O)[C@@](C)(Br)CBr 2044145 ZYTBREBYDYHRRW-LURJTMIESA-N 273.952 2.098 50 50 CEGA C=CCn1c(=O)c(C(=O)NN=C(C)C)c(O)c2ccccc21 100658378 YSTRVTUUKHPDJF-UHFFFAOYSA-N 299.330 2.019 50 50 CEGA Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccccn2)c1 238950402 XXPBOPJXPWZIMZ-CYBMUJFWSA-N 283.331 2.308 50 50 CEGA C[C@@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 1875376521 ZOMDZDPYWAALDS-USWWRNFRSA-N 281.787 2.284 50 50 CEGA CCOC(=O)c1cc(C)sc1NC(=O)CCl 2569092 LICKHIGCRDZQHR-UHFFFAOYSA-N 261.730 2.411 50 50 CEGA NNC(=O)c1cc(Cl)cc(-c2ccccc2)c1O 71771226 ZFMRHLAZTZIKJQ-UHFFFAOYSA-N 262.696 2.316 50 50 CEGA Cc1ccc(CN(CC2CC2)C(=O)CCl)cn1 1875367921 ZTHPAEMDBKMCAA-UHFFFAOYSA-N 252.745 2.367 50 50 CEGA CCOc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCC2 8816935 YXYCERPBEQGGSP-LICLKQGHSA-N 298.346 2.061 50 50 CEGA O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1O 41855 FDQBATYDCYPHGB-GIJQJNRQSA-N 287.294 2.094 50 50 CEGA COC(=O)CCNC(=O)CCCC[C@@H]1CCSS1 197002343 KIEKMHCOYAJKCC-SNVBAGLBSA-N 291.438 2.380 50 50 CEGA biogenic BrCc1ncc(Br)cn1 95080344 BMXJFKLSEGBBSJ-UHFFFAOYSA-N 251.909 2.134 50 50 CEGA in-vitro CCNC(=O)N(C)NC(=O)[C@H](CC)Sc1ccccc1 272636563 CNTLCJJRBJCYQV-LBPRGKRZSA-N 295.408 2.250 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 1875377855 PFRWXZQJZOLCKP-SDDRHHMPSA-N 272.820 2.383 50 50 CEGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccoc1 242410 CNYRCBDCFWWROR-OQPBUACISA-N 270.288 2.340 50 50 CEGA Cc1ccccc1OCC(=O)N/N=C/c1ccco1 242901 KUMLBKAEXFYGRV-OQLLNIDSSA-N 258.277 2.117 50 50 CEGA OB(O)c1ccc(COc2cccc3ccccc23)cc1 169877334 ZYQMTIWKJLAEEF-UHFFFAOYSA-N 278.116 2.099 50 50 CEGA in-vitro COc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc1O 100310923 KUHWPJWODCTYFX-FAJFRMSXSA-N 288.347 2.287 50 50 CEGA C[C@@]1(C(=O)NNC(=O)c2ccccc2)C[C@H]2C=C[C@H]1C2 100405585 BTLDZGHWLJKVQS-DETPVDSQSA-N 270.332 2.050 50 50 CEGA O=C(N/N=C/c1cccs1)c1cc(C2CC2)n[nH]1 8837940 YWJKSLMAVQQXTA-NTUHNPAUSA-N 260.322 2.113 50 50 CEGA CCn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)n1 2759554 SISKOHKJSUISPE-AWEZNQCLSA-N 298.346 2.026 50 50 CEGA CC(C)(C)c1ccc(-c2ccc(B(O)O)cc2)cc1 169844727 ROWGMWCSASZVBF-UHFFFAOYSA-N 254.138 2.331 50 50 CEGA C[C@@H](Cl)C(=O)N1CCC(C#N)(c2ccccn2)CC1 1875377846 PEDCVICBKDRTDA-LLVKDONJSA-N 277.755 2.093 50 50 CEGA CCNC(NCC)=C(C#N)c1ccc([N+](=O)[O-])c(C)c1 170610674 XNDALAGPCDXRDH-UHFFFAOYSA-N 274.324 2.314 50 50 CEGA O=C(N/N=C/c1cccc(O)c1)c1cccc(F)c1 298766 KSYXYFVVWTUMNP-CXUHLZMHSA-N 258.252 2.295 50 50 CEGA Cc1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 5730480 ATRAFOVJHWFHEZ-UHFFFAOYSA-N 279.299 2.081 50 50 CEGA C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1)c1ccccc1 4387255 ZITPYHPEVWARBW-HTMJNSLASA-N 295.342 2.014 50 50 CEGA N#CC1=CNc2c(Cl)cc([N+](=O)[O-])cc2[C@@H]1O 214472271 AWEHVQIFQUDTBI-SNVBAGLBSA-N 251.629 2.115 50 50 CEGA CC(C)(C)OC(=O)N1CCC(CO)(CCl)CC1 91303786 CSLWIKIJFFEYPB-UHFFFAOYSA-N 263.765 2.235 50 50 CEGA in-vitro CCc1ccc([C@@H](COC)NS(=O)(=O)[C@@H](C)Cl)o1 585115357 XNDNHCLXMCWMMW-WCBMZHEXSA-N 295.788 2.034 50 50 CEGA O=C(N/N=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 130714 IXZPFOAOCXACKD-XNTDXEJSSA-N 269.260 2.359 50 50 CEGA Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)s1 19595295 DKLFSJQIQHXQDO-UHFFFAOYSA-N 274.374 2.275 50 50 CEGA C[C@H](Cl)C(=O)Nc1cccc(-c2ncon2)c1 1875364247 KAKBGVQAVJTFCR-ZETCQYMHSA-N 251.673 2.302 50 50 CEGA C[C@H](NC(=O)CCl)[C@H](C)Oc1ccccc1F 1875364765 SWIOCZLFYFGOBT-IUCAKERBSA-N 259.708 2.337 50 50 CEGA C[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1 301430 WDBPYVIWNRQTHC-LBPRGKRZSA-N 274.256 2.474 50 50 CEGA COC(=O)c1[nH]c2ccccc2c1NC(=O)CCl 526794 DSQNBOXIFTWCPF-UHFFFAOYSA-N 266.684 2.132 50 50 CEGA C[C@@H]1C(=O)[C@H]2CC(C)(C)[C@H]1C[C@@H]2OC(=O)CCl 104305557 SMVCNZONBLVLDX-XKNYDFJKSA-N 258.745 2.408 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 130754 MVQGNPRBTFWEMO-XNTDXEJSSA-N 269.260 2.359 50 50 CEGA COc1ccc2c(c1)[C@H](NC(=O)CCl)[C@@H](OC)CC2 1875376628 DJYGKECSCKRRFN-JSGCOSHPSA-N 283.755 2.053 50 50 CEGA N#CCC(=O)N/N=C/C(Br)=C/c1ccccc1 2912407 JPFHVYNWDPIKEO-QBDLBBPBSA-N 292.136 2.438 50 50 CEGA O=C(O)c1cc(Cl)c2c(c1Cl)C(=O)OC2=O 59318285 OCUQMPDZMXSVFG-UHFFFAOYSA-N 261.016 2.002 50 50 CEGA O=C(NNc1cnccn1)[C@H]1C[C@H]1c1c(F)cccc1F 116452340 GRWWASHPPFCTOU-BDAKNGLRSA-N 290.273 2.002 50 50 CEGA Cc1ccn(-c2ccccc2CNC(=O)[C@H](C)Cl)n1 1875364543 VDESYSPGHZAHLI-NSHDSACASA-N 277.755 2.424 50 50 CEGA C[C@@H](CC1CCCC1)C(=O)NNC(=O)CC(F)(F)F 408512938 OUJRSFKGOFUODR-QMMMGPOBSA-N 280.290 2.303 50 50 CEGA O=C(NNc1ccccc1)c1cccnc1N1CCCC1 194541727 QUQSNYRXTCGSJW-UHFFFAOYSA-N 282.347 2.439 50 50 CEGA CCOC(=O)C[C@H](NC(=O)CCl)c1ccccc1 1616015089 BNLZLKRBQNQWDO-NSHDSACASA-N 269.728 2.036 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1 228206 RYIICGGMMJIIGP-OQLLNIDSSA-N 258.277 2.361 50 50 CEGA Cc1ccc2c(c1)/C(=N/NC(=O)Nc1ccccc1)C(=O)N2 6234313 MOSIMAZMUFKRFR-UHFFFAOYSA-N 294.314 2.473 50 50 CEGA COc1cccc2c1CC/C(=N\NC(=O)c1ccncc1)C2 71771315 RUULVONQWGCHLL-XMHGGMMESA-N 295.342 2.365 50 50 CEGA CCc1n[nH]c(C(=O)N/N=C(\C)c2ccccc2)c1C 5353217 VZGSQAFACBDFAH-LFIBNONCSA-N 270.336 2.435 50 50 CEGA O=C(NN=C1CCCCC1)C(=O)Nc1ccc(F)cc1 5008735 QREAUEWEFFVEGN-UHFFFAOYSA-N 277.299 2.201 50 50 CEGA C[C@H](Cl)C(=O)N1Cc2ccccc2OC[C@H]1C 1875366551 WILCGWROOIUANQ-ZJUUUORDSA-N 253.729 2.423 50 50 CEGA O=C(CCl)NCc1cccc(COC[C@H]2CCCO2)c1 1327858319 SIWWXXMTTVMLAN-CQSZACIVSA-N 297.782 2.237 50 50 CEGA CC(=O)O[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 169744723 GWHDKFODLYVMQG-UBHAPETDSA-N 287.432 2.032 50 50 CEGA in-vitro CC(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)CCl 1875366816 FNQLFXSFBPUBFC-BXKDBHETSA-N 279.771 2.427 50 50 CEGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 76483 RIYZZVFPXDQDPM-INIZCTEOSA-N 293.326 2.496 50 50 CEGA O=C1CCC(=O)N1c1ccc(CBr)cc1 85103 KKVLBTHQTNCJML-UHFFFAOYSA-N 268.110 2.235 50 50 CEGA C[C@H](Cl)C(=O)NCc1cccc(C(=O)NC(C)(C)C)c1 1875363897 CWYRWPMKOPPYMQ-JTQLQIEISA-N 296.798 2.458 50 50 CEGA Cc1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1 4310926 ZOQULRMFSBBJJR-RQZCQDPDSA-N 294.314 2.341 50 50 CEGA Fc1c(Br)ncnc1CBr 1535542717 PBZLJSGSURLWNA-UHFFFAOYSA-N 269.899 2.273 50 50 CEGA C[C@]1(C(=O)N/N=C/c2cccnc2)CC1(Cl)Cl 2745750 QZDAXTJITARKAO-UWJMNNEMSA-N 272.135 2.116 50 50 CEGA COc1ccc2c(c1)CC[C@@H]1C2=CC[C@@H]2C(=O)OC(=O)[C@H]21 230076130 FYCGVOHPPYSXFO-ILXRZTDVSA-N 284.311 2.361 50 50 CEGA COc1ccc(C(=O)N/N=C/c2ccco2)cc1OC 2566798 VOUFMTUXDABQGS-OQLLNIDSSA-N 274.276 2.061 50 50 CEGA COC(=O)N[C@@H]1CC=C[C@@H](C)[C@@H]1I 101042543 RQOHCIVUEPWJAJ-PRJMDXOYSA-N 295.120 2.111 50 50 CEGA COc1ccc2c(c1)CC[C@@H]1C2=CC[C@@H]2C(=O)OC(=O)[C@@H]21 101012746 FYCGVOHPPYSXFO-QLFBSQMISA-N 284.311 2.361 50 50 CEGA O=C(NNc1cnccn1)[C@H]1C[C@@H]1c1ccccc1Cl 114881432 ZJTYZPHQPKEHEX-MNOVXSKESA-N 288.738 2.377 50 50 CEGA CC(C)(C)OC(=O)N[C@H]1C[C@@H](I)C1 101725125 XGEFFDGFPRWHAW-LJGSYFOKSA-N 297.136 2.477 50 50 CEGA CC(C)[C@@H](NC(=O)[C@H](C)Cl)C(=O)OC(C)(C)C 1875251987 WCIJXNILBSDDFF-DTWKUNHWSA-N 263.765 2.096 50 50 CEGA COc1cccc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c1 3145438 NYIWEBXGMYQPJT-HNNXBMFYSA-N 284.315 2.366 50 50 CEGA C/C(=N\NC(=O)Cc1cccs1)c1ccncc1 4746486 OPUQLEJXALPGMJ-XNTDXEJSSA-N 259.334 2.226 50 50 CEGA CCc1sc(/C=C(/C#N)C(=O)OC)cc1[N+](=O)[O-] 43813 AUUWJFXZAILXAI-DAXSKMNVSA-N 266.278 2.299 50 50 CEGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(O)cc(O)c1 298042 MYRVSZWTVDHVSU-GIJQJNRQSA-N 295.298 2.343 50 50 CEGA OB(O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 169922527 JEJDEZZCBNZPMW-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(N)c1 4598818 WROVNHPKEFZVFF-LICLKQGHSA-N 298.302 2.331 50 50 CEGA OB(O)c1ccc2oc3cc4ccccc4cc3c2c1 219582861 FGXHNQHUZOHBRS-UHFFFAOYSA-N 262.073 2.419 50 50 CEGA CCN(CC)C(=O)/C(C#N)=C/c1ccc(OC)cc1 235700 PJANYVQYYGPJFX-JLHYYAGUSA-N 258.321 2.471 50 50 CEGA C[C@H](Cl)C(=O)NCc1ccnn1CCc1ccccc1 1875364775 TZHLGEQVAZRDTA-LBPRGKRZSA-N 291.782 2.369 50 50 CEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccs1 48723 NYBMJRNRDGDXAX-LBPRGKRZSA-N 290.344 2.393 50 50 CEGA CCc1sc(/C=N/NC(N)=O)cc1Br 22033110 XJQPHULAQYZRPL-NYYWCZLTSA-N 276.159 2.075 50 50 CEGA O=C(CBr)c1cc(F)cc(F)c1O 71790075 DWXNXPSJQRPAAA-UHFFFAOYSA-N 251.026 2.248 50 50 CEGA CC(=O)O[C@H]1NC(=O)[C@@H]1CCO[Si](C)(C)C(C)(C)C 169967501 JSWAHRJBQMEUQL-CMPLNLGQSA-N 287.432 2.034 50 50 CEGA O=C(CCl)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 1875367887 WAWUXSHJZVEVMN-RISCZKNCSA-N 281.739 2.024 50 50 CEGA O=C(NNc1ccc(F)cc1)[C@H]1CSCCS1 121046764 HOUJMRREOVXPGD-SNVBAGLBSA-N 272.370 2.117 50 50 CEGA COC(=O)c1cc(OC)c(OC)cc1N=C=S 15443774 PANPMBOPZUDGBQ-UHFFFAOYSA-N 253.279 2.225 50 50 CEGA COc1ccc2c(c1)OCCN2C(=O)[C@H](C)Cl 1875368894 CRABZFDQQGPNCN-QMMMGPOBSA-N 255.701 2.048 50 50 CEGA COc1cccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)c1 46611 JEVFSOLIZCXDII-CXUHLZMHSA-N 284.319 2.060 50 50 CEGA Cc1ccccc1/C=N/NC(=O)c1ccc(O)cc1 298287 UDSHZRVHLCEMAH-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA Cc1c(Cl)cccc1/N=c1/nc(N)nc(CCl)[nH]1 18154608 NOZWRDAUFPQOJA-UHFFFAOYSA-N 284.150 2.320 50 50 CEGA CCO[Si](OCC)(OCC)c1ccc(C)cc1 170160161 PADYPAQRESYCQZ-UHFFFAOYSA-N 254.402 2.250 50 50 CEGA COc1ccc(C/C(N)=N/NC(=O)OC(C)(C)C)cc1 43769292 LAXZPUFUTXXDOB-UHFFFAOYSA-N 279.340 2.035 50 50 CEGA CC(/C=C/c1ccc(C)cc1)=N\NC(=O)C[N+](C)(C)C 5682331 HYLXGOYRALTGAQ-LDRANXPESA-O 274.388 2.207 50 50 CEGA C/C(CCCCOCc1ccccc1)=N/NC(N)=O 4533370 OMKAQMMWNCWOBI-VBKFSLOCSA-N 263.341 2.418 50 50 CEGA O=C(NNc1cnccn1)[C@@H]1C[C@@H]1c1c(F)cccc1F 116452346 GRWWASHPPFCTOU-DTWKUNHWSA-N 290.273 2.002 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 231695 CRKNZTSNSUYBTR-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA COc1cccc(OCCOCCBr)c1 4989724 ANEJSHUPTAIEQL-UHFFFAOYSA-N 275.142 2.486 50 50 CEGA CCc1ccccc1CN(C[C@H](C)O)C(=O)CCl 1875382337 YKEXJLWNTYSSJD-NSHDSACASA-N 269.772 2.197 50 50 CEGA CCOC(=O)Cc1ccc(NC(=O)NCCCl)cc1 675083781 RSQUGMVEKBODKO-UHFFFAOYSA-N 284.743 2.153 50 50 CEGA C[C@H](Cl)C(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 1875375965 KUVISLRKBNBALY-ONGXEEELSA-N 257.761 2.031 50 50 CEGA CP(C)(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCl 1875375423 BRRBOCFIKUULQW-DTWKUNHWSA-N 251.694 2.275 50 50 CEGA O=C(N/N=C/c1cccc(O)c1)C1[C@@H]2CCCC[C@@H]12 100311360 FLEGVTXOINSDOL-SUNVMROUSA-N 258.321 2.279 50 50 CEGA O=C(COc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 261284 OWSQTBWRJQEWHU-MHWRWJLKSA-N 299.286 2.124 50 50 CEGA CC1(C)OB(c2ccc(C(=O)Cl)cc2)OC1(C)C 200344656 WOCXUWRCQSFHNJ-UHFFFAOYSA-N 266.533 2.365 50 50 CEGA in-vitro N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccnc1 108024 BYNZBQVDYXVNBB-AWEZNQCLSA-N 265.272 2.005 50 50 CEGA NC(=O)N/N=C/CCn1c(=S)sc2ccccc21 4947787 NEXCLNGWCAZPSS-AWNIVKPZSA-N 280.378 2.476 50 50 CEGA COc1ccc(S(=O)(=O)NCC(Cl)Cl)c(C)c1 585114738 WLCLDAOBRSRSPU-UHFFFAOYSA-N 298.191 2.086 50 50 CEGA Cc1nn(C)c(NNC(=O)CC2CCCCC2)c1C#N 1875344278 AQFNDIFTVQHBGU-UHFFFAOYSA-N 275.356 2.014 50 50 CEGA ClCc1nc(N2CCOCC2)c2ccccc2n1 64038082 GEXLFHXNNHVNGH-UHFFFAOYSA-N 263.728 2.205 50 50 CEGA COc1cc(C)cc2c1OCC[C@@H]2NC(=O)CCl 1875364276 MZGCQUUKXNMZOB-JTQLQIEISA-N 269.728 2.182 50 50 CEGA CCC(=O)Nc1ccc([C@@H](C)NC(=O)CCl)cc1 1875362967 ZSRJSHAVZHTRDO-SECBINFHSA-N 268.744 2.451 50 50 CEGA C[C@H]1CC2=C(C(=O)O1)[C@H](c1cccs1)C(C#N)=C(N)O2 48741 QIGADDJGKRISIF-CPCISQLKSA-N 288.328 2.145 50 50 CEGA CCc1n[nH]c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 351048 OGKHPCIHORTDGE-CYBMUJFWSA-N 296.330 2.199 50 50 CEGA CCOC(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)SC#N 1737760 CZZJTVHHLYOZCJ-NSHDSACASA-N 280.305 2.283 50 50 CEGA COc1ccccc1/C=C1/C(=O)ON=C1CCl 34926714 OMNWTSVIAZVNDE-RMKNXTFCSA-N 251.669 2.230 50 50 CEGA CC/C(CCC(C)(N(F)F)N(F)F)=N\NC(N)=O 12384046 ZAAKZGYAGHRTRB-MKMNVTDBSA-N 273.234 2.059 50 50 CEGA C[C@@H](Cl)C(=O)N1CCCN2c3ccccc3C[C@@H]2C1 1875377423 DKEUMDBPUMZPNA-DGCLKSJQSA-N 278.783 2.277 50 50 CEGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)o1 13113668 GODWNBQZBRVFTQ-RQZCQDPDSA-N 295.302 2.137 50 50 CEGA COc1ccc(-c2csc(NNC(C)=O)n2)cc1 16737564 WJFSGUVHYDUMGV-UHFFFAOYSA-N 263.322 2.282 50 50 CEGA O=C(Cl)[C@H](Br)CCBr 4521377 WYZLYWUZERABRL-GSVOUGTGSA-N 264.344 2.300 50 50 CEGA in-vitro Cc1noc(C2CCC(NC(=O)[C@H](C)Cl)CC2)n1 1875364225 KITWLWNYZHUGSC-WFRXLMHJSA-N 271.748 2.148 50 50 CEGA O=C(N/N=C/c1ccc[nH]1)[C@H]1C[C@@H]1c1ccccc1 1056354 FVEWTLALAOXCBQ-QEIRAGPASA-N 253.305 2.269 50 50 CEGA COc1ccc(Br)cc1CCN=C=O 2509898 IEKFZVSKEVFNQZ-UHFFFAOYSA-N 256.099 2.336 50 50 CEGA COc1cc(CN(C(=O)CCl)C2CC2)ccc1O 1875374610 AJBLNDDOVSVSGP-UHFFFAOYSA-N 269.728 2.131 50 50 CEGA O=C(COc1cccc(Cl)c1)N/N=C\c1ccncc1 30802371 LWZAAJNMFIEBCJ-MFOYZWKCSA-N 289.722 2.264 50 50 CEGA C[C@@H](O)CN(Cc1ccc(Cl)c(F)c1)C(=O)CCl 1875382354 YTPKBFXYANNOKW-MRVPVSSYSA-N 294.153 2.427 50 50 CEGA C[C@H](Cl)C(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C 1875377454 DXQJQVYDTNMDEP-VHSXEESVSA-N 296.802 2.466 50 50 CEGA CCc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 5403161 HZQSILROWOKIOW-LICLKQGHSA-N 282.347 2.225 50 50 CEGA O=C(NNc1nc2ccccc2s1)c1cccnc1 80743 JQDXMJFPWLNVLP-UHFFFAOYSA-N 270.317 2.448 50 50 CEGA COc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCC3)cc1 5123951 SVSCNFNONPWJGQ-LICLKQGHSA-N 298.346 2.061 50 50 CEGA CN(C)c1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 4311615 AMRVUPOLZVGRSR-LICLKQGHSA-N 297.362 2.117 50 50 CEGA CC(C)[C@@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O 5727375 NCWARQGSAYOFNE-JTQLQIEISA-N 265.696 2.073 50 50 CEGA N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCO1 247380 DMWZRMMVJNXHPH-CEFACKQISA-N 295.342 2.370 50 50 CEGA CCCN(C[C@H]1Cc2ccccc2O1)C(=O)CCl 1875379772 WKKDOKKUTNZNSW-GFCCVEGCSA-N 267.756 2.468 50 50 CEGA CCN(CC)[C@@H](CNC(=O)[C@H](C)Cl)c1ccco1 1875363506 FSROBUSXZLVVSR-QWRGUYRKSA-N 272.776 2.406 50 50 CEGA N#CC1=C(N)NC(S)=C(C#N)[C@@H]1c1ccccc1Cl 219309 CUYFHNUUXYGSAQ-LLVKDONJSA-N 288.763 2.386 50 50 CEGA CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)Cl 2515996 OLRXGDHRDQKNGW-UHFFFAOYSA-N 286.555 2.221 50 50 CEGA in-vitro Cc1cc(Cl)ccc1OCc1ccc(C(=O)NN)o1 2568601 FPMNKLGUYZRUNI-UHFFFAOYSA-N 280.711 2.424 50 50 CEGA Cc1cc(C)nc(NNC(=O)[C@H](C)c2ccccc2)n1 122109429 ZWXAAOXMOUHOOK-GFCCVEGCSA-N 270.336 2.340 50 50 CEGA O=C(CBr)c1cc(F)cc(F)c1[N+](=O)[O-] 263623123 DVLAKEDSVMZWNT-UHFFFAOYSA-N 280.024 2.451 50 50 CEGA CN(CCN(C)c1cccc(Cl)c1)C(=O)CCl 1875379652 SSEFDJRJUZTZOM-UHFFFAOYSA-N 275.179 2.473 50 50 CEGA CCOC(=O)CCCCI 2143243 RUVQSRJJSDAXER-UHFFFAOYSA-N 256.083 2.155 50 50 CEGA CO[C@H](C(=O)NNC(=O)c1ccccc1C)c1ccccc1 2865030 BPYKOGLULQEWDJ-HNNXBMFYSA-N 298.342 2.144 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 1875364951 ZCIWFDASOICRJZ-UWVGGRQHSA-N 293.754 2.465 50 50 CEGA C[C@@H](Cl)C(=O)N1CCc2c(F)cc(F)cc2C1 1875364209 JWENHAAEVMSOJO-SSDOTTSWSA-N 259.683 2.477 50 50 CEGA N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1 2557947 TUCIOBMMDDOEMM-RIYZIHGNSA-N 294.310 2.321 50 50 CEGA in-vivo COC(=O)[C@H](Br)Cc1ccccc1F 49848614 MUXHTOBTEJLBJW-MRVPVSSYSA-N 261.090 2.305 50 50 CEGA in-vitro N#C/C(=C\c1ccc[nH]1)S(=O)(=O)c1ccccc1 611662 VQTSIJUWCBXFHZ-UKTHLTGXSA-N 258.302 2.353 50 50 CEGA COC(=O)c1ccc(C#N)c(CBr)c1 14989297 YFQVXOFHILWYNN-UHFFFAOYSA-N 254.083 2.240 50 50 CEGA CCc1n[nH]c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2 9089155 TZUGUQOTYBGUNV-GFCCVEGCSA-N 266.304 2.190 50 50 CEGA Cc1ccc([C@@](C)(O)CN(CC2CC2)C(=O)CCl)o1 1875382740 ONFLTRNADRTWSR-AWEZNQCLSA-N 285.771 2.273 50 50 CEGA Cc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1 242107 QVYLPRKNRSDFHL-AWEZNQCLSA-N 294.310 2.475 50 50 CEGA N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)O 2173130 PMDOWSMYJGTFDU-LREOWRDNSA-N 296.076 2.169 50 50 CEGA COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O)c1C 12504694 ADCFQGFVVSLIGN-MBGMWABPSA-N 262.309 2.304 50 50 CEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(F)c2)cc1 4347113 SDIKUKYLGGSNHW-VCHYOVAHSA-N 299.305 2.223 50 50 CEGA C[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1cnn(C)c1 1875377677 KPSHTEPRJTWRRR-MWLCHTKSSA-N 255.749 2.101 50 50 CEGA O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)CCl)CC1 1320466602 KPRYUSYTKUZREV-AWEZNQCLSA-N 292.766 2.200 50 50 CEGA Cc1cccc(C)c1N(C(=O)CCl)[C@@H]1CCOC1=O 2032898 OWDLFBLNMPCXSD-LLVKDONJSA-N 281.739 2.191 50 50 CEGA in-vitro C[C@]12C[C@H](Br)[C@@H](Br)C[C@H]1O2 254698488 JVHROALZCZFSSO-YTLHQDLWSA-N 269.964 2.465 50 50 CEGA COc1cc(F)cc(C[C@H](C)NC(=O)CCl)c1 1327857630 KAFKRUWVMUAQHP-QMMMGPOBSA-N 259.708 2.120 50 50 CEGA N#C/C(=C\C=C\c1ccccc1)C(=O)NC[C@H]1CCCO1 265683 PSSQOSPRNFYUDV-LDSQMISESA-N 282.343 2.445 50 50 CEGA C/C(=N\NC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 4614806 BVXAUXSGCXSOGZ-MHWRWJLKSA-N 284.275 2.144 50 50 CEGA COc1ccc(/C(C)=N/NC(=O)Cc2cccn2C)cc1 5577804 ZUWMMOWNZJDJTK-SFQUDFHCSA-N 285.347 2.117 50 50 CEGA Cn1cc(CN(C(=O)CCl)c2ccc(F)cc2)cn1 1875374835 GWDOECIORFJHIQ-UHFFFAOYSA-N 281.718 2.331 50 50 CEGA CC(C)(C)[Si](C)(C)OCCc1ccc(B(O)O)cc1F 217045880 JMRHRYJWAPXVSN-UHFFFAOYSA-N 298.239 2.070 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OC 294446 LTCJQGHDCIFJRA-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 1875364819 UYBSPPYFKZGLHD-QMMMGPOBSA-N 266.728 2.161 50 50 CEGA C[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 242425501 BLUAFEHZUWYNDE-FGMSCQTESA-N 282.336 2.395 50 50 CEGA biogenic C[C@H](Cl)C(=O)NCCc1ccc(-n2cccn2)cc1 1875364749 SHOUVNQDXYNQFX-NSHDSACASA-N 277.755 2.158 50 50 CEGA C[C@@H](Cl)C(=O)N(C)C[C@@H]1OCCc2ccccc21 1875363827 BBSNLTVBNASCQW-MFKMUULPSA-N 267.756 2.386 50 50 CEGA Cc1ccc(NCC(=O)N/N=C\c2cccc(O)c2)cc1 32603842 USFGFRXBDMXESZ-ZDLGFXPLSA-N 283.331 2.263 50 50 CEGA COc1cccc(C(=O)NNC(=O)/C=C/c2ccccc2)c1 299041 PJBHTCFXWHEYTO-ZHACJKMWSA-N 296.326 2.170 50 50 CEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCCC[C@H]21 245231690 IQBZYIOEAGTXDM-TYYGZOERSA-N 287.319 2.481 50 50 CEGA C/C(=N\NC(=O)c1ccncc1)c1ccc(N(C)C)cc1 4567694 VJJOTYKPIBLLAN-LDADJPATSA-N 282.347 2.302 50 50 CEGA O=C1C[C@H](C2c3ccccc3C(=O)c3ccccc32)C(=O)O1 101016191 NVKFFQQWVARVAI-CQSZACIVSA-N 292.290 2.453 50 50 CEGA C[Si](C)(C)OC(=O)/C=C\C(=O)O[Si](C)(C)C 195781290 OITVFMRNHJZOHF-FPLPWBNLSA-N 260.438 2.299 50 50 CEGA O=CNNc1ccc(NC(=O)c2ccccc2)cc1 4831687 XIDCWPJFDRJBKV-UHFFFAOYSA-N 255.277 2.012 50 50 CEGA O=C(CBr)C(Br)Br 1761049 FNYCCOFOQIUTIM-UHFFFAOYSA-N 294.768 2.066 50 50 CEGA biogenic Cc1ccsc1/C=N/NC(=O)c1n[nH]c2c1CCCC2 136815 JORPCQGPNZBFBS-OVCLIPMQSA-N 288.376 2.422 50 50 CEGA COc1ccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1 232999 INUTWSGMYDRFCY-CXUHLZMHSA-N 286.335 2.306 50 50 CEGA CN1CCC(Oc2ccc(CNC(=O)CCl)cc2)CC1 1875374687 CQPCQPIMZVXPIT-UHFFFAOYSA-N 296.798 2.015 50 50 CEGA C/C(=N\NC(=O)Cn1nnc2ccccc21)c1cccs1 4855080 PTSLJKGSWDIZIV-XNTDXEJSSA-N 299.359 2.033 50 50 CEGA O=C(Cc1cccs1)N/N=C/c1ccccc1[N+](=O)[O-] 72943 VYSYTHOAFXLYJY-NTEUORMPSA-N 289.316 2.349 50 50 CEGA CCOC(=O)[C@H](Cl)P(=O)(OCC)OCC 4975413 PCDXCIMROXIFBI-SSDOTTSWSA-N 258.638 2.381 50 50 CEGA in-vitro NNC(=O)c1ccccc1COc1ccc(F)cc1F 2536996 JRCPTAHJEZQXPB-UHFFFAOYSA-N 278.258 2.147 50 50 CEGA O=C(N/N=C/c1ccco1)c1cc(-c2ccco2)n[nH]1 8836559 SJPVPGYHXMIZKS-RIYZIHGNSA-N 270.248 2.027 50 50 CEGA O=C(N/N=C/c1cccnc1)c1cc(-c2cccs2)n[nH]1 9176872 QGWCSQFMINUPNT-CXUHLZMHSA-N 297.343 2.297 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 58797 OWRWPLCFGCOANL-RIYZIHGNSA-N 273.248 2.260 50 50 CEGA C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(N)c1 12343247 BZPVNVPWWIHEJT-LICLKQGHSA-N 298.302 2.331 50 50 CEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)s1 296641 BVHDYHABFTUQIA-GFCCVEGCSA-N 290.344 2.311 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 288556 CFSQHJXRIUXOIN-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA CCC[C@@H](O)CN(Cc1cccs1)C(=O)CCl 1875381584 ABXWPFSQBDGGKB-SNVBAGLBSA-N 275.801 2.477 50 50 CEGA CCn1c(O)nc2cc(C(=O)NC[C@@H](C)Cl)ccc21 1875404738 SKAORDWXDIWFIS-MRVPVSSYSA-N 281.743 2.119 50 50 CEGA Cc1ccc(NCC(=O)N/N=C/c2ccccc2O)cc1 58876 JEUBPVYAFFYWIX-VCHYOVAHSA-N 283.331 2.263 50 50 CEGA COC(=O)c1ccc(/C=N/NC(=O)c2cccs2)cc1 228058 HGTJXGVNGLDTOD-OQLLNIDSSA-N 288.328 2.299 50 50 CEGA CCn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)n1 2759553 SISKOHKJSUISPE-CQSZACIVSA-N 298.346 2.026 50 50 CEGA C[C@@H]1[C@H](O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 245245184 BJDCWCLMFKKGEE-JYFPYOSHSA-N 284.352 2.187 50 50 CEGA IC[C@@H]1CC2(CCC2)CO1 536947980 SIFMUSWUAPDMQW-ZETCQYMHSA-N 252.095 2.381 50 50 CEGA COc1cccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c1O 584904283 NUZMHIXADUJFSC-OIRKPBQOSA-N 288.347 2.287 50 50 CEGA CN(C)c1nnc(-c2ccc(NC(=O)[C@H](F)Cl)cc2)o1 2325901593 MRVXCSDCFHEUMZ-VIFPVBQESA-N 298.705 2.276 50 50 CEGA COc1ccc(OC)c(/C(C)=N\NC(=O)c2cccnc2)c1 4737826 LPYYYKGENYALQR-WQRHYEAKSA-N 299.330 2.253 50 50 CEGA N#CC(C#N)=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 267298 ZKMCPCMPQWJYOS-UHFFFAOYSA-N 299.311 2.025 50 50 CEGA O=C(CCCO)N/N=C/c1ccc(Cl)cc1Cl 3105755 YPLDSKMSDNGYRH-VGOFMYFVSA-N 275.135 2.216 50 50 CEGA OB(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 206624631 KZXCMVJHGMMESW-UHFFFAOYSA-N 282.026 2.178 50 50 CEGA C[C@H]1COCCN1c1ccc(NC(=O)CCl)cc1 1116439235 OJEOAFZTUSMVQB-JTQLQIEISA-N 268.744 2.089 50 50 CEGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1 2566312 YURKSPIIUYMVCT-GZTJUZNOSA-N 281.315 2.084 50 50 CEGA CCOC(=O)C1(C(=O)CBr)CCCC1 170623622 WWFSTHFAEQRBOJ-UHFFFAOYSA-N 263.131 2.074 50 50 CEGA O=C(Cn1cnc2ccccc21)NN=C/C=C\c1ccco1 252603646 FSSQDMAPQWPLIY-MQPHYCMUSA-N 294.314 2.445 50 50 CEGA CN(C)c1cccc(C(=O)N/N=C/c2ccc(C#N)cc2)c1 1875254064 IEKOKRXKICDGJV-XDHOZWIPSA-N 292.342 2.388 50 50 CEGA C[C@H](Cl)C(=O)N1CC(F)(c2ccccc2F)C1 1875380193 HXEIECHMLUQHQU-QMMMGPOBSA-N 259.683 2.460 50 50 CEGA CCOC(=O)[C@@H](Br)[C@H](C)Br 1736011 YPZLAXFGOUPECS-WHFBIAKZSA-N 273.952 2.096 50 50 CEGA Cc1noc(C[C@@H](NC(=O)CCl)c2ccccc2)n1 1875378251 YDYBBCMHPRTYIU-LLVKDONJSA-N 279.727 2.017 50 50 CEGA C[C@@H]1CC(NC(=O)N2CCSSCC2)C[C@@H](C)O1 1775992449 SNVQSENREIHWHS-NXEZZACHSA-N 290.454 2.349 50 50 CEGA COc1ccc(CCNC(=O)CCl)cc1OC(F)F 1319923555 PFVSWRZJLVCJOL-UHFFFAOYSA-N 293.697 2.194 50 50 CEGA NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 6092712 NIQLRARIYNRGCQ-UHFFFAOYSA-N 289.722 2.196 50 50 CEGA Cc1cc(C(=O)NN=Cc2c(C)n(C)c3ccccc23)[nH]n1 252636752 XMGDASBBJDINJW-UHFFFAOYSA-N 295.346 2.282 50 50 CEGA N#C/C(=C\c1cccc(O)c1)C(=O)NCc1ccco1 3570350 CHILVWFEHVKAKV-KPKJPENVSA-N 268.272 2.209 50 50 CEGA C[C@@H](Cl)C(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 1875375963 KUVISLRKBNBALY-KOLCDFICSA-N 257.761 2.031 50 50 CEGA O=C(N/N=C/c1ccccc1)c1cc(=O)[nH]c2ccccc12 247861 DEWWJBDQMZTHFL-WOJGMQOQSA-N 291.310 2.292 50 50 CEGA O=C(CCl)N1CCC[C@@H]1c1ccc2c(c1)OCO2 1116434060 LYVAJRDQGCXGJH-SNVBAGLBSA-N 267.712 2.318 50 50 CEGA CCOc1ccc(N2Cc3ccc(C(=O)NN)cc3C2)cc1 441988 YTMRDKDNMPZCNO-UHFFFAOYSA-N 297.358 2.209 50 50 CEGA O=C(N/N=C/c1ccccn1)c1cc(-c2cccs2)n[nH]1 5687503 CTTPBZZACZNCLF-CXUHLZMHSA-N 297.343 2.297 50 50 CEGA COc1ccccc1[C@@H](O)CN(CC(C)C)C(=O)CCl 1875382916 XCCHBWLFBZKHFZ-ZDUSSCGKSA-N 299.798 2.452 50 50 CEGA N#CC(=Cc1cc2c(cc1Cl)OCO2)C(N)=S 1857795445 PKYOOERRQQOZEN-UHFFFAOYSA-N 266.709 2.262 50 50 CEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccs1 228109 AMOTWAYDPSPDND-MDWZMJQESA-N 275.289 2.420 50 50 CEGA O=C(N/N=C/c1[nH]c2ccccc2c1Cl)c1cnccn1 5904199 NWLSUAIIVJPSFA-QGMBQPNBSA-N 299.721 2.375 50 50 CEGA Cc1n[nH]c(C)c1/C=C(\C#N)c1nnc2n1CCCCC2 298689120 YJQVNLGMXBHRFF-XYOKQWHBSA-N 282.351 2.409 50 50 CEGA CC(C)/C=N/NC(=O)c1ccc(N2CCCC2=O)cc1 175162 BPLHHXCPTGBRQI-MHWRWJLKSA-N 273.336 2.185 50 50 CEGA CC[C@@H](CO)N(Cc1ccc(OC)c(C)c1)C(=O)CCl 1875381868 KAFMRCUHMIUHFN-ZDUSSCGKSA-N 299.798 2.342 50 50 CEGA BrC(Br)Br 8101061 DIKBFYAXUHHXCS-UHFFFAOYSA-N 252.731 2.455 50 50 CEGA in-man O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)[nH]n1 8676883 OPUHZCUNJBCESL-MHWRWJLKSA-N 280.287 2.434 50 50 CEGA C[C@@H](Cl)C(=O)NCc1ccc2c(n1)CCCC2 1875366380 FQCOOILFXWRICO-SECBINFHSA-N 252.745 2.204 50 50 CEGA N#Cc1ccc(C2(CBr)OCCO2)cc1 2510262 UPIQMVADUQYNGB-UHFFFAOYSA-N 268.110 2.153 50 50 CEGA COC(=O)c1ccc(-c2noc(CCl)n2)cc1 40834233 SWXMOUXIRXMILY-UHFFFAOYSA-N 252.657 2.262 50 50 CEGA O=C(CBr)c1cccc(F)c1[N+](=O)[O-] 169800510 DFPDFHIOJKSXLG-UHFFFAOYSA-N 262.034 2.312 50 50 CEGA CC(C)(C)OC(=O)NNC(=S)NC1CCCCC1 13519547 ULNFIZHMSLIIMT-UHFFFAOYSA-N 273.402 2.223 50 50 CEGA C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@@H](C)Cl 1875364445 QRUMMQDMMCUOEI-VHSXEESVSA-N 283.755 2.480 50 50 CEGA Cc1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1 9110552 MVNHJPKTKPEFHI-LZYBPNLTSA-N 281.319 2.272 50 50 CEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 3008866 GSSPEFCSHDHVPX-VCHYOVAHSA-N 299.305 2.223 50 50 CEGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cccc(Cl)c1 5731671 NIHZCFSYZOIEOT-UHFFFAOYSA-N 299.717 2.426 50 50 CEGA Cc1ncccc1OC[C@@H]1CCCN1C(=O)[C@H](C)Cl 1875377272 BFHNNLBQMUHMQO-JQWIXIFHSA-N 282.771 2.387 50 50 CEGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)ncn2CCN(C)C 1875369100 ZJXXWUFBOVXIKX-JTQLQIEISA-N 294.786 2.164 50 50 CEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 123085 YHLGHERMPLXOQN-CQSZACIVSA-N 282.299 2.207 50 50 CEGA COc1ccc(OCCOCCBr)cc1 2380013 JDVGQJGUENPMNQ-UHFFFAOYSA-N 275.142 2.486 50 50 CEGA CCOC(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245673487 FJQNMSHNLCTMGI-GRYCIOLGSA-N 268.357 2.370 50 50 CEGA O=S(=O)(c1ccccc1)[C@H]1[C@H]2[C@H]3C[C@H]1[C@H](Cl)[C@@H]23 252428092 PTGDUGPVEWYOLE-DIURFFJMSA-N 268.765 2.332 50 50 CEGA O=C(CCCCCO)NNC(=O)Nc1ccccc1Cl 2143527 MACYUPZVRQHWTO-UHFFFAOYSA-N 299.758 2.045 50 50 CEGA CC(C)(C)OC(=O)N1CC[C@@H]1CBr 95742620 YDUBHKXBYBMWRH-SSDOTTSWSA-N 250.136 2.391 50 50 CEGA in-vitro C[C@@H](Cl)C(=O)N1CC[C@H](n2ncc3ccccc32)C1 1875377613 ISLPUFFYLKSDAW-PWSUYJOCSA-N 277.755 2.437 50 50 CEGA Cc1sc(-n2c(C)ccc2C)c(C(=O)NN)c1C 295151 LNTLPNPNMSADQK-UHFFFAOYSA-N 263.366 2.376 50 50 CEGA Cc1n[nH]c2c1[C@@H]([C@@H]1CC=CCC1)C(C#N)=C(N)O2 18122913 PYJNQKPKIDDXIF-SKDRFNHKSA-N 256.309 2.244 50 50 CEGA COc1cc2c(cc1CNC(=O)[C@H](C)Cl)O[C@H](C)C2 1875363852 BOIBRDKDRUDYHS-BDAKNGLRSA-N 283.755 2.262 50 50 CEGA Cc1cc(F)ccc1CN(C(=O)CCl)[C@H](C)CCO 1875382439 BBZQXKFMMLVGEX-LLVKDONJSA-N 287.762 2.472 50 50 CEGA CC1(C)OC(=O)O[C@@]1(Br)CBr 84282 YFMPUHKTFAHTIQ-LURJTMIESA-N 287.935 2.418 50 50 CEGA CCOc1ccccc1Nc1nc(N)nc(CCl)n1 85389084 DTFHQEGHNHSVHW-UHFFFAOYSA-N 279.731 2.335 50 50 CEGA Cc1cccnc1C1(CNC(=O)[C@H](C)Cl)CC1 1875377812 OGWWSFSSSQRNNV-JTQLQIEISA-N 252.745 2.165 50 50 CEGA Cc1ccc([C@@H](O)CCN(C)C(=O)CCl)s1 1875376412 WEZRXBNEDYSORY-VIFPVBQESA-N 261.774 2.177 50 50 CEGA Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(F)cc1 447764 CMBUBXONFJLBDE-CAOOACKPSA-N 274.299 2.235 50 50 CEGA C[C@H]1CCC[C@H]1C(=O)NCCSSCCC(=O)O 1875388437 AWHDLAWPBIQAPW-VHSXEESVSA-N 291.438 2.395 50 50 CEGA C[C@H](Cl)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 1875366436 JGLPMRRIAFZKPJ-LURJTMIESA-N 283.681 2.025 50 50 CEGA CCOC(=O)c1ccc(N(N)C(=O)OC(C)(C)C)cc1 91303459 PJYWFCQWDGXMAK-UHFFFAOYSA-N 280.324 2.479 50 50 CEGA O=C(O)C[C@@H](Br)C(=O)c1cccs1 2451321 OAJPFDGCBARLHL-RXMQYKEDSA-N 263.112 2.169 50 50 CEGA CC1(C)CC(=O)C/C(=N/NC(=O)[C@H]2CC23CCC3)C1 100315856 OSABRNKWWBTFRB-YUSFRKCESA-N 262.353 2.428 50 50 CEGA COc1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 299080 PYSDFQFOQCBSPS-MHWRWJLKSA-N 299.286 2.367 50 50 CEGA Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccccn2)c1 117910 XXPBOPJXPWZIMZ-VBEHJTROSA-N 283.331 2.308 50 50 CEGA C[C@@H](Cl)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 1875378032 ULJJTUJOIVWXEW-OCCSQVGLSA-N 281.783 2.474 50 50 CEGA C[C@@H](Cl)C(=O)Nc1cccc(-c2ncon2)c1 1875364246 KAKBGVQAVJTFCR-SSDOTTSWSA-N 251.673 2.302 50 50 CEGA NNC(=O)CSCc1c(Cl)cccc1Cl 1048033 OTWIZTQMOXZJHK-UHFFFAOYSA-N 265.165 2.217 50 50 CEGA COc1ccc(CNC(=O)[C@@H](C)Br)cc1 6032485 PUWQCNGWBKXWCX-MRVPVSSYSA-N 272.142 2.095 50 50 CEGA Cc1cc(C(=O)N/N=C/c2ccc(O)cc2)c(C)o1 228301 UVVXHAUVAYGSPQ-OVCLIPMQSA-N 258.277 2.366 50 50 CEGA CCOC(=O)/C(C#N)=C/c1c(OC)cc(OC)cc1OC 2561564 JZFNUPROKIATHC-UXBLZVDNSA-N 291.303 2.182 50 50 CEGA COC(=O)C[C@H](Br)C(=O)c1ccccc1 39277587 HOHUCDGNYVWANV-VIFPVBQESA-N 271.110 2.196 50 50 CEGA O=C(CCl)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 1875364516 TXTHBTWZIDJIHG-UHFFFAOYSA-N 295.692 2.373 50 50 CEGA OB(O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 169922518 OHFVLEYVTWBNMI-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro Cc1nnsc1C(=O)N/N=C/c1ccc(Cl)cc1 5792587 NHOVTPHXZHIEEU-AWNIVKPZSA-N 280.740 2.264 50 50 CEGA CC(C)(C)[Si](C)(C)Oc1cc(F)c(B(O)O)c(F)c1 169951711 SAXLUFSXLIRBKM-UHFFFAOYSA-N 288.175 2.029 50 50 CEGA C[C@@H](Cl)C(=O)N1CCCc2c1ccc1c2ncn1C 1875375356 ALSUHDSKELAGOU-SECBINFHSA-N 277.755 2.480 50 50 CEGA CC1(C)CN(C(=O)CCl)[C@H]1c1nccn1C1CC1 1875377926 RLLCYFQZUKBSEC-NSHDSACASA-N 267.760 2.366 50 50 CEGA O=CNNc1ccc(NC(=O)CCc2ccccc2)cc1 4831641 GWEJDANKPSDIHB-UHFFFAOYSA-N 283.331 2.331 50 50 CEGA CCCNC(=O)N/N=C(\C)c1nc2ccccc2n1C 222152480 ZEKITDPCNPUPSS-LICLKQGHSA-N 273.340 2.007 50 50 CEGA O=C(CCl)Nc1nc(CN2CCCCC2)cs1 238853853 LISLYYKDGTWSBU-UHFFFAOYSA-N 273.789 2.306 50 50 CEGA O=C(N/N=C/CCc1ccccc1)c1ccncc1 4375927 YKBBNXYQTZTKPU-LICLKQGHSA-N 253.305 2.430 50 50 CEGA CC(C)[C@@H](NC(=O)[C@@H](C)Cl)C(=O)OC(C)(C)C 1875251988 WCIJXNILBSDDFF-RKDXNWHRSA-N 263.765 2.096 50 50 CEGA C[C@@H](Cl)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 1875303544 CTEPLVYNNANXEF-YGRLFVJLSA-N 262.740 2.181 50 50 CEGA C/C(=N/NC(=O)c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 4763391 WULPGKIJGNMBHD-YBEGLDIGSA-N 299.286 2.454 50 50 CEGA O=C(CCl)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 1875377876 PULGDCINEMZZCY-CYBMUJFWSA-N 288.174 2.397 50 50 CEGA O=C(N/N=C/c1ccc2c(c1)OCO2)C1[C@@H]2CCCC[C@@H]12 100381849 DBZYKKHONRXLOZ-HVWABSDWSA-N 286.331 2.302 50 50 CEGA O=C(CCl)Nc1ccc(C(=O)N2CCCCC2)cc1 74934077 FDFMSUXZLSYSOK-UHFFFAOYSA-N 280.755 2.490 50 50 CEGA CC(C)(C)c1ccc(COc2ccccc2B(O)O)cc1 197957759 LNKVJPCMXIEFEH-UHFFFAOYSA-N 284.164 2.243 50 50 CEGA Cc1cc2c(c(=O)o1)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 281041 FOSPDQAIXKYJOY-CYBMUJFWSA-N 298.273 2.306 50 50 CEGA CCN(C)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 328591825 PSBWWFODGLCSFE-UHFFFAOYSA-N 298.390 2.266 50 50 CEGA COC(=O)[C@@]1(CCl)CCCN1C(=O)OC(C)(C)C 214470105 WIMCDPQKIZDLLF-LBPRGKRZSA-N 277.748 2.168 50 50 CEGA Cc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(C)cc32)cc1 5730479 HNCOKXCTOFYKMW-UHFFFAOYSA-N 293.326 2.390 50 50 CEGA C[C@H](NC(=O)[C@@H](C)Cl)c1cnn(CC2CCC2)c1 1875367238 DSHGPOGBPWQOOA-ZJUUUORDSA-N 269.776 2.488 50 50 CEGA O=C(N/N=C/c1ccccc1O)[C@@H]1[C@H]2CCCC[C@H]21 252320792 RWHIYSSPLLJQRF-TYYGZOERSA-N 258.321 2.279 50 50 CEGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(O)c(O)c1 238879 STAPAXUCCYVLOK-GIJQJNRQSA-N 295.298 2.343 50 50 CEGA COc1ccccc1CC(=O)N/N=C(\C)c1ccco1 222145924 QQTBNYIPZOZKHR-LFIBNONCSA-N 272.304 2.371 50 50 CEGA CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)NN 216909652 WDLXKJQBTVEGAV-UHFFFAOYSA-N 263.124 2.141 50 50 CEGA NC(=O)N/N=C1\CCCC2(CCCC2)[C@@]12CCCO2 43762986 ITTPCOVZYGNRRQ-DSQDWWTGSA-N 265.357 2.304 50 50 CEGA CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Cl)[C@@H]1Oc1ccccc1 1875380509 RCLDZGDVDRSATD-CABNGKKXSA-N 297.782 2.355 50 50 CEGA CCCc1n[nH]c2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 4599464 VSLVXHGVRYHBFZ-ZDUSSCGKSA-N 296.330 2.286 50 50 CEGA biogenic,in-vitro CC(C)(C)c1n[nH]c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2 5044930 IWIHIAPXZKRZJV-LLVKDONJSA-N 295.346 2.320 50 50 CEGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)s1 8995904 ZLILWIFNMNIQGM-LLVKDONJSA-N 272.333 2.306 50 50 CEGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(O)cc1 242248 FBHGWPJDVFXYJV-OAHLLOKOSA-N 279.299 2.193 50 50 CEGA CCCC(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 1750109 YTWNMBFBODEQFC-UHFFFAOYSA-N 298.770 2.283 50 50 CEGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 4948965 AWTNAFUZRKVJDX-MHWRWJLKSA-N 299.286 2.454 50 50 CEGA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCl 518419 NYTALCTUPGWLQZ-GXTWGEPZSA-N 278.783 2.368 50 50 CEGA biogenic NNC(=O)[C@@H](Oc1ccccc1Cl)c1ccccc1 17421659 NMFDPQMJTPCEET-ZDUSSCGKSA-N 276.723 2.450 50 50 CEGA CC(C)n1nnnc1-c1cccc(NC(=O)[C@@H](C)Cl)c1 1875366831 INFDSEPVYMVQBY-SECBINFHSA-N 293.758 2.487 50 50 CEGA NC(=O)N/N=C/c1ccccc1OCc1ccccc1 3572469 YXEJEKKXIVERJH-LICLKQGHSA-N 269.304 2.268 50 50 CEGA NN[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101083856 ZNKMMSROKAIFSV-UHFFFAOYSA-N 293.330 2.359 50 50 CEGA C[C@H](Cl)C(=O)N1CCCc2c1ccnc2N(C)C 1875376397 VOISWZUVWGRAQB-VIFPVBQESA-N 267.760 2.054 50 50 CEGA COc1ccc2c(c1)[C@@H](NC(=O)CCl)[C@H](OC)CC2 1875376630 DJYGKECSCKRRFN-TZMCWYRMSA-N 283.755 2.053 50 50 CEGA C[C@H](Cl)C(=O)N1CCO[C@H](CCc2ccccc2)C1 1875378030 ULJJTUJOIVWXEW-GXTWGEPZSA-N 281.783 2.474 50 50 CEGA Cc1cccc(OCC(=O)N/N=C/c2ccc(O)cc2)c1 588333 IEQKNVGXAINAKT-LICLKQGHSA-N 284.315 2.230 50 50 CEGA NCC(=O)NNc1c(Cl)cc(Cl)cc1Cl 232716068 GLCYIHYFKBWHNS-UHFFFAOYSA-N 268.531 2.049 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1CCCO[C@H]1c1ccncc1 1875367646 ZNLOJIHXCAAFOR-WCQGTBRESA-N 268.744 2.045 50 50 CEGA Cc1noc([C@H](NC(=O)[C@@H](C)Cl)c2ccccc2)n1 1875364636 OZQKYUGYOXRPNA-LDYMZIIASA-N 279.727 2.211 50 50 CEGA C[C@H](Cl)C(=O)N1CCCc2c1ccc1c2ncn1C 1875375358 ALSUHDSKELAGOU-VIFPVBQESA-N 277.755 2.480 50 50 CEGA O=C(Cc1ccccc1)NNC(=O)c1ccc(Cl)cc1 568830 QSYYGKCFTZEMKD-UHFFFAOYSA-N 288.734 2.344 50 50 CEGA C[C@H](NC(=O)CCl)c1ccccc1-n1cccn1 1875364901 XRUPGMPUDHTYRJ-JTQLQIEISA-N 263.728 2.288 50 50 CEGA C/C(=N\NC(=O)c1ccccc1N)c1ccc([N+](=O)[O-])cc1 4946987 DBTFWHSDQWAYNK-LICLKQGHSA-N 298.302 2.331 50 50 CEGA COc1ccc(C[C@H]2CCN2C(=O)[C@@H](C)Cl)cc1 1875364091 IFCDMFWEUMXGSU-ZYHUDNBSSA-N 267.756 2.466 50 50 CEGA C[C@]12[C@H]3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]([C@@H]35)[C@H]1Br)[C@H]42 245227186 DYJXAYHLFCEUAR-XOHUOLDLSA-N 253.139 2.097 50 50 CEGA C/C(=N\NC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 5005786 GGOCASTZKTWWQJ-NTEUORMPSA-N 273.248 2.342 50 50 CEGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(O)cc1 12342893 HBNYXEZMTVGDPN-YBEGLDIGSA-N 270.288 2.252 50 50 CEGA O=C(NNc1cccc(F)n1)c1cc2c(o1)CCCC2 1263825137 RLLAIOBXSWIXRS-UHFFFAOYSA-N 275.283 2.449 50 50 CEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccs1 55728 VODBTUMWVHMUGD-RIYZIHGNSA-N 276.365 2.171 50 50 CEGA C=C(C)C[C@@H](C)C(=O)NNC(=O)c1cccc(Cl)n1 585114246 PWRNRYZWTUYACY-SECBINFHSA-N 281.743 2.098 50 50 CEGA N#Cc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 257086 CVPNSMCOKNDCGJ-LICLKQGHSA-N 294.270 2.230 50 50 CEGA N#C/C(=C\c1c(Cl)cccc1Br)C(N)=O 952876160 CZGZKJFKGFNCOX-GQCTYLIASA-N 285.528 2.495 50 50 CEGA Cc1ccccc1OCC(=O)NNC(=O)c1ccccc1C 298999 CQUCCOQOZWSOSD-UHFFFAOYSA-N 298.342 2.143 50 50 CEGA COc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)CCl 22016621 QGGDVNDLHBQBKS-VIFPVBQESA-N 298.722 2.089 50 50 CEGA O=C(CBr)NCc1ccc(F)cc1Cl 584904506 DVPVFJNGZGZOQZ-UHFFFAOYSA-N 280.524 2.490 50 50 CEGA CC(C)OC(=O)/C(C#N)=C/c1cccn(C(F)F)c1=O 888095944 FTTBRFHAZLYNAB-UXBLZVDNSA-N 282.246 2.102 50 50 CEGA CC(C)(C)OC(=O)N/N=C\c1ccc2c(c1)OCO2 31719674 OYTFTYXFAYZEJQ-AUWJEWJLSA-N 264.281 2.274 50 50 CEGA CN(NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1 743291478 LNLDAWMHMITKMZ-HNNXBMFYSA-N 286.306 2.297 50 50 CEGA N#C/C(=C/c1ccccc1/C=C(\C#N)C(N)=S)C(N)=S 12375266 UPJXJSNJIVCCJW-JTAXDKCCSA-N 298.396 2.073 50 50 CEGA COC(=O)CC[C@@H](Cl)B1OC(C)(C)C(C)(C)O1 1857785230 YOCIPVSTYZCYNU-MRVPVSSYSA-N 262.542 2.178 50 50 CEGA O=C(CCl)NCC[C@H]1CSc2ccccc2O1 1875367914 YOLRDWYJXPFPOZ-VIFPVBQESA-N 271.769 2.285 50 50 CEGA C[C@H](Cl)C(=O)NC1(c2ccccc2)CCOCC1 1875363951 FQEYKPUNAMSQTB-NSHDSACASA-N 267.756 2.436 50 50 CEGA CCOC(=O)c1sc(NC(=O)CCl)c(C#N)c1C 1964983 AOLJKGGEFGBGRY-UHFFFAOYSA-N 286.740 2.282 50 50 CEGA CC(C)(C)NC(=O)C(=O)N/N=C/c1cccc2ccccc12 2892269 OJJJIZKWLASBST-WOJGMQOQSA-N 297.358 2.205 50 50 CEGA Cc1ccc(OCc2cccc(C(=O)NN)c2)c(C)c1 2568642 NLVQOILKINMFIW-UHFFFAOYSA-N 270.332 2.486 50 50 CEGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(F)c1 298684 GGWYNKZCFSPMIZ-CAOOACKPSA-N 286.262 2.318 50 50 CEGA CCOC(=O)/C(C#N)=C\N=c1/ccn(C)c2ccccc12 5568521 IARLRPJFWGKCRF-ICTXRPBKSA-N 281.315 2.050 50 50 CEGA N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1cccnc1 227193 MJEJWTKKDLIZTF-RIYZIHGNSA-N 279.299 2.011 50 50 CEGA O=C(CCl)NCc1c[nH]nc1-c1cccc(F)c1 1875375033 OQYPODHQGZTGPY-UHFFFAOYSA-N 267.691 2.071 50 50 CEGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccn[nH]1 4697396 KMDHNWTYSTVILC-RQZCQDPDSA-N 280.287 2.032 50 50 CEGA O=C(CCl)NCCc1c[nH]c2ccc(F)cc12 8730459 UGRXFYJXKDYMLP-UHFFFAOYSA-N 254.692 2.205 50 50 CEGA COC(=O)c1ccc(CBr)c([N+](=O)[O-])c1 39642344 HYGYRBBZOHUETE-UHFFFAOYSA-N 274.070 2.276 50 50 CEGA biogenic,in-vitro Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CCl)o1 1336910749 ZWQIUHDNTGABHU-LBPRGKRZSA-N 291.738 2.243 50 50 CEGA COc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 246065 HSROVYYCGBKLEL-MHWRWJLKSA-N 299.286 2.367 50 50 CEGA Cc1cc(C(=O)N/N=C/c2ccccc2O)c(C)o1 434182 NTCWNPDAZAQPPX-OVCLIPMQSA-N 258.277 2.366 50 50 CEGA C[C@@H](Cl)C(=O)NCc1ccnn1CCc1ccccc1 1875364774 TZHLGEQVAZRDTA-GFCCVEGCSA-N 291.782 2.369 50 50 CEGA CC(C)c1cnc([C@@H](NC(=O)CCl)C2CC2)[nH]1 1875378467 DLPMCYPTXCAUSD-NSHDSACASA-N 255.749 2.339 50 50 CEGA CC(C)=NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 4954272 JAHTWULXGTVXTC-UHFFFAOYSA-N 288.134 2.444 50 50 CEGA C[C@H](Cl)C(=O)N(C)C[C@@H]1OCCc2ccccc21 1875363825 BBSNLTVBNASCQW-GWCFXTLKSA-N 267.756 2.386 50 50 CEGA CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1O 505854 TZRJYJHLLKINNB-LDADJPATSA-N 298.342 2.484 50 50 CEGA Cc1ccc(O)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 22017051 KVAZKYMCHLAWLK-CXUHLZMHSA-N 299.286 2.373 50 50 CEGA Cc1ccc(O[C@H](C)C(=O)N/N=C/c2ccccn2)cc1 93893 QRTJFNKOXXNQRB-VBEHJTROSA-N 283.331 2.308 50 50 CEGA N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(F)c1 274720 FWDQVGPHMFCMGJ-UHFFFAOYSA-N 272.308 2.044 50 50 CEGA CC(C)n1nnnc1-c1cccc(NC(=O)[C@H](C)Cl)c1 1875366832 INFDSEPVYMVQBY-VIFPVBQESA-N 293.758 2.487 50 50 CEGA O=C(N/N=C/c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 59232 YFGOGDHLFDCVHJ-PKMXSDERSA-N 265.316 2.335 50 50 CEGA CC[C@@H](Br)C(=O)NCc1ccccc1 32920009 SPCUANDFINTRDY-SNVBAGLBSA-N 256.143 2.476 50 50 CEGA Cc1ccc(/C=N/NC(=O)COc2ccccc2C)o1 222049 DPYCDNBIJYYADW-CXUHLZMHSA-N 272.304 2.426 50 50 CEGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccco1 293440 BFLOUWWCZJGLNU-OQPBUACISA-N 270.288 2.340 50 50 CEGA CCc1ccc(/C=N/NC(=O)c2cc(C)on2)s1 373161 HDDJCOZMPYHCDA-NTUHNPAUSA-N 263.322 2.371 50 50 CEGA CCc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1 445513 CDSWQHBDDPNOQS-OQLLNIDSSA-N 256.309 2.044 50 50 CEGA Cc1cccc(C(=O)N/N=C2\C(=O)Nc3c(C)cccc32)c1 5730687 JSMQPRBQMVJJLT-UHFFFAOYSA-N 293.326 2.390 50 50 CEGA COC(=O)/C=C/c1ccc(OCCCl)c(OC)c1 2584122 VBJATAZFSMWXRE-GQCTYLIASA-N 270.712 2.499 50 50 CEGA Cc1ccc(N2CCC[C@@H]2CNC(=O)CCl)cc1 1875376179 NYLUXFVPKLVYSD-CYBMUJFWSA-N 266.772 2.319 50 50 CEGA C/C(=N\NC(=O)c1ccccn1)c1cccc([N+](=O)[O-])c1 4997320 WVWBVLXRMNHAJY-MHWRWJLKSA-N 284.275 2.144 50 50 CEGA O=C1N[C@H]2[C@H](CS[C@@H]2CCCCCBr)N1 98181598 UOEFYJDREUFJRJ-YIZRAAEISA-N 293.230 2.107 50 50 CEGA C[C@]12C[C@H](Br)[C@H](Br)C[C@H]1O2 254698487 JVHROALZCZFSSO-UCROKIRRSA-N 269.964 2.465 50 50 CEGA COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1O 271266 GNTCSCFWZJOXGI-LDADJPATSA-N 298.342 2.484 50 50 CEGA Cc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)CCl)cc1 2325901430 FTIDWILCYMKVGO-OAHLLOKOSA-N 289.766 2.431 50 50 CEGA O=C(N/N=C/c1ccco1)c1cc(-c2cccs2)[nH]n1 8683440 LXZOVTIGWKXXDN-RIYZIHGNSA-N 286.316 2.495 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccc(C)cc2)c1O 55408 DTIBYUZHZWFXKF-LICLKQGHSA-N 284.315 2.473 50 50 CEGA COc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1OC 4590780 LCLLRFGYXCHTEH-WOJGMQOQSA-N 299.330 2.253 50 50 CEGA COc1cc2c(cc1CNC(=O)[C@@H](C)Cl)O[C@H](C)C2 1875363855 BOIBRDKDRUDYHS-RKDXNWHRSA-N 283.755 2.262 50 50 CEGA O=C(CCc1ccccc1)NNC(=O)c1ccccc1 143043 PJRVFEMYDNQHRV-UHFFFAOYSA-N 268.316 2.080 50 50 CEGA CSc1nc(C)c2c(n1)O[C@H](CBr)C2 344972 PUEGREVFTLGWLT-LURJTMIESA-N 275.171 2.205 50 50 CEGA Cc1cccc(/C=N/NC(=O)c2cc(O)cc(O)c2)c1 297891 QXCDBTRUVBFFDM-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA CC/C(C)=N\NC(=O)CCC(=O)Nc1ccccc1 4989698 FIPUBXTYXCSKSN-WJDWOHSUSA-N 261.325 2.307 50 50 CEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1O 242776 HWMOTXHAHYVGIB-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA COC(=O)NN=C(C)C=Cc1ccc2c(c1)OCO2 2049286361 BZMGBWKEKBRAAP-UHFFFAOYSA-N 262.265 2.160 50 50 CEGA NNC(=O)c1csc(-c2ccc(Cl)cc2)n1 1391492 BCFLSWYMFFIYMR-UHFFFAOYSA-N 253.714 2.067 50 50 CEGA COC(=O)/C(C#N)=C\c1ccc(OC)c(C)c1OC 2759407 WQGNJHVXGAAKDM-XFFZJAGNSA-N 261.277 2.092 50 50 CEGA O=C(Cc1ccccc1)N/N=C/c1ccc(O)cc1 298553 PVYNZEWYHBMYHM-LFIBNONCSA-N 254.289 2.085 50 50 CEGA O=C(N/N=C/c1ccccn1)c1ccc(Br)o1 311591 PEYBDTARUCNLSQ-VGOFMYFVSA-N 294.108 2.201 50 50 CEGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(O)cc1O 245226538 AWHOKDBSDWPXQZ-ZFMFCUAKSA-N 288.347 2.374 50 50 CEGA COC[C@@H](NC(=O)[C@H](C)Cl)c1ccc(F)c(F)c1 1875378139 WFGCBVAWWDEQQG-WRWORJQWSA-N 277.698 2.396 50 50 CEGA O=C(Cl)C1CCN(c2nccc(C(F)(F)F)n2)CC1 2576794 LFSUSYMMCMOVRL-UHFFFAOYSA-N 293.676 2.477 50 50 CEGA COc1cccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)c1 8665996 OZKPPDOMVVNNIC-UHFFFAOYSA-N 288.347 2.203 50 50 CEGA C[C@@]12[C@H]3C(=O)[C@H]4[C@@H]1[C@@H]1C[C@@H]4[C@@H]3[C@H]1[C@H]2Br 245227183 DYJXAYHLFCEUAR-GIKXPOFPSA-N 253.139 2.097 50 50 CEGA Cc1noc(C[C@H](NC(=O)CCl)c2ccccc2)n1 1875378252 YDYBBCMHPRTYIU-NSHDSACASA-N 279.727 2.017 50 50 CEGA CC[C@@H](Sc1ccccc1)C(=O)NN(C)CCOC 288482060 RXMVHHINZUQQCP-CYBMUJFWSA-N 282.409 2.167 50 50 CEGA O=C(N/N=C/c1cccc(O)c1O)Nc1ccccc1 316138 UGGAYIQIDHNKEZ-OQLLNIDSSA-N 271.276 2.253 50 50 CEGA NC(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 459865 SMRNJWHDDVGVET-GIJQJNRQSA-N 287.294 2.407 50 50 CEGA OB(O)c1cccc(-c2nc3c(Cl)cccc3s2)c1 169984336 IKEJMPKYYYKRTK-UHFFFAOYSA-N 289.552 2.297 50 50 CEGA O=C(N/N=C/c1cccc(F)c1)c1ccc(O)cc1O 4360439 HIKYVRLYWBGXAH-LZYBPNLTSA-N 274.251 2.001 50 50 CEGA O=C(NNC(=O)[C@H]1C=CCCC1)c1cc(Cl)ccc1O 332808 BLJHAPIMPNZLIW-VIFPVBQESA-N 294.738 2.163 50 50 CEGA O=[N+]([O-])c1ccc(CBr)c([N+](=O)[O-])c1 2569250 ZDBJFAWRZSOCMM-UHFFFAOYSA-N 261.031 2.398 50 50 CEGA O=C(CCl)OCC(=O)c1ccc(Br)cc1 3163527 YUJZZVNZHDYKPM-UHFFFAOYSA-N 291.528 2.414 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1ccccc1O 263047 HCQWOCUPHAMYRB-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA COC(=O)c1cccc(CBr)c1[N+](=O)[O-] 11919393 GBBIAIKDRXKCQO-UHFFFAOYSA-N 274.070 2.276 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 1875364222 JXQOVUAXKDYONW-GRYCIOLGSA-N 266.772 2.397 50 50 CEGA CCOC(=O)NN(C(=O)OCC)C1Cc2ccccc2C1 71772437 IJKNOKDEBDOJTI-UHFFFAOYSA-N 292.335 2.273 50 50 CEGA O=C(CBr)c1cc(F)c([N+](=O)[O-])c(F)c1 263623089 DNKGURKKLRZDLK-UHFFFAOYSA-N 280.024 2.451 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1 134425 CAPMABTYEKKJFU-LICLKQGHSA-N 253.305 2.341 50 50 CEGA CC1=C(C#N)[C@@](NC(=O)c2ccco2)(C(F)(F)F)C(O)=N1 4127146 JORVYLXSGQOIEP-NSHDSACASA-N 299.208 2.078 50 50 CEGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccs1 437055 VNIUKHRMHGSYFN-NTEUORMPSA-N 289.316 2.349 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 1875377856 PFRWXZQJZOLCKP-SRVKXCTJSA-N 272.820 2.383 50 50 CEGA O=C(NNc1ccccc1)c1cccc([N+](=O)[O-])c1 299886 WILBZGLRFYVNSQ-UHFFFAOYSA-N 257.249 2.352 50 50 CEGA C/C(=N\NC(=O)c1cccnc1)[C@H]1COc2ccccc2O1 12343251 OHSOTCFOFXZEMU-CLXYIWAZSA-N 297.314 2.027 50 50 CEGA N#CC1=C(N)NC(S)=C(C#N)[C@H]1c1ccccc1Cl 219303 CUYFHNUUXYGSAQ-NSHDSACASA-N 288.763 2.386 50 50 CEGA C/C(=N\NC(=O)c1ccccc1O)c1ccc(O)cc1 4992132 SIADDNDQUXMXRA-MHWRWJLKSA-N 270.288 2.252 50 50 CEGA O=C1[C@@H](Br)CC[C@]2(CCCO2)[C@@]12CCCO2 71786583 YFESEYVUUXVHRB-MVWJERBFSA-N 289.169 2.211 50 50 CEGA C[C@H](CC1CCCC1)C(=O)NNC(=O)CC(F)(F)F 408512937 OUJRSFKGOFUODR-MRVPVSSYSA-N 280.290 2.303 50 50 CEGA C/C(=N\NC(=O)c1cc(C)oc1C)c1ccncc1 56133 QEINYJCQLNAOQE-MHWRWJLKSA-N 257.293 2.445 50 50 CEGA O=C(NN=Cc1ccc2c(c1)CCC2)c1ccccn1 25665799 JUPBOTGHWZDKSM-UHFFFAOYSA-N 265.316 2.334 50 50 CEGA COC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1 1774020834 SLQIJFSQRNXACV-JTQLQIEISA-N 294.738 2.351 50 50 CEGA O=C(CCl)NCC[C@H]1OCCc2ccccc21 1354192174 BRERTJCERLIXKJ-GFCCVEGCSA-N 253.729 2.046 50 50 CEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1 298646 PVXXPZNTRISNEE-CXUHLZMHSA-N 287.250 2.498 50 50 CEGA CCOc1ccc(/C=N/NC(=O)c2ccco2)cc1 227757 ANFGHFPZMUXRCZ-XNTDXEJSSA-N 258.277 2.442 50 50 CEGA N#Cc1ccc(CN(C(=O)CCl)C2CC2)c(F)c1 1875379677 UHSVGGNNDPQOLB-UHFFFAOYSA-N 266.703 2.427 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)c1ccc(F)cc1 54733 GSPDEXMBKPNJTO-UHFFFAOYSA-N 272.279 2.209 50 50 CEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1[C@H]2CCCC[C@H]12 100003891 IQBZYIOEAGTXDM-STQKSKDHSA-N 287.319 2.481 50 50 CEGA COC(=O)NN=C(C)/C=C/c1ccc2c(c1)OCO2 252677982 BZMGBWKEKBRAAP-OQVSIGLHSA-N 262.265 2.160 50 50 CEGA CCC(CC)=NNC(=O)C(=O)N[C@H](C)c1ccccc1 5008761 HLWUOOFGNSZIOK-LLVKDONJSA-N 275.352 2.156 50 50 CEGA COc1ccccc1N1CC[C@@H](C)N(C(=O)CCl)CC1 1875377462 FBMQCDLHJIVYSF-GFCCVEGCSA-N 296.798 2.361 50 50 CEGA C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O1 169748468 BVTLTBONLZSBJC-UHFFFAOYSA-N 258.498 2.441 50 50 CEGA C[C@H](Cl)C(=O)N1CC[C@H](CC#N)C(F)(F)CC1 1875370277 IQPVVRHXUYUDLN-IUCAKERBSA-N 264.703 2.401 50 50 CEGA Cc1cccc(C(=O)NNC(=O)c2cccs2)c1 146526 SGVXARQUEBYIGI-UHFFFAOYSA-N 260.318 2.131 50 50 CEGA NC(=O)N/N=C(\C=C\c1ccccc1)C1(O)CCCCC1 22782526 XWZQRYLKHUIANS-BFHPBESDSA-N 287.363 2.419 50 50 CEGA O=C(NCCBr)OCc1ccccc1 1717004 HREXFDIZSAUXBO-UHFFFAOYSA-N 258.115 2.308 50 50 CEGA in-vitro CC(C)(C)OC(=O)N1C[C@H](F)[C@H](Br)C1 238135181 GFICPINAPXXEHE-RQJHMYQMSA-N 268.126 2.339 50 50 CEGA NC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3024050 SNXQQRSZKXEUCP-LICLKQGHSA-N 269.304 2.268 50 50 CEGA COc1cc2c(cc1CNC(=O)[C@H](C)Cl)O[C@@H](C)C2 1875363854 BOIBRDKDRUDYHS-IUCAKERBSA-N 283.755 2.262 50 50 CEGA Cc1ccc(C/C(N)=N/NC(=O)OC(C)(C)C)cc1 43769282 KSXJNMKMMYHZNI-UHFFFAOYSA-N 263.341 2.334 50 50 CEGA COc1ccc(CNCC(Cl)Cl)cc1C#N 381386259 MVBIQRZZXSKSEK-UHFFFAOYSA-N 259.136 2.460 50 50 CEGA O=C(CCn1nnc2ccccc21)N/N=C/c1cccs1 181617 QUWFMVMJQABVSE-XNTDXEJSSA-N 299.359 2.033 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 293162 CYNJIHJPJCWRES-VGOFMYFVSA-N 277.211 2.091 50 50 CEGA CCOc1ccccc1/C=N/NC(=O)c1ccccn1 227846 QDTNCMJVRSJRKD-GZTJUZNOSA-N 269.304 2.244 50 50 CEGA Cc1ccsc1/C=N/NC(=O)c1n[nH]c2c1CCC2 13482232 LSCOJOICLMZKTJ-VGOFMYFVSA-N 274.349 2.032 50 50 CEGA CCCN1CCC(=NNC(=O)c2ccccc2)CC1 5019559 ONZDMYBIDLWHQO-UHFFFAOYSA-N 259.353 2.278 50 50 CEGA O=C(CBr)N1C(=O)OC[C@@H]1c1ccccc1 5738200 OVSTWKDFLSXEOE-SECBINFHSA-N 284.109 2.101 50 50 CEGA O=C1C=C(NNC(=O)c2ccc(Cl)cc2)CCC1 5783055 ORDCIGARWACRPW-UHFFFAOYSA-N 264.712 2.211 50 50 CEGA O=C(CCl)NC1CCN(CCCc2ccccc2)CC1 1875364832 VGCHKHRFBYSHQN-UHFFFAOYSA-N 294.826 2.439 50 50 CEGA Cc1noc2c1[C@@H](c1ccsc1)C(C#N)=C(N)N2 27618 AGXIQZDKZGKYIU-JTQLQIEISA-N 258.306 2.296 50 50 CEGA O=C(N/N=C/c1cccnc1)c1ccc(Br)o1 438805 VKTRJVSMTNRPLP-VGOFMYFVSA-N 294.108 2.201 50 50 CEGA Cc1noc(C)c1CO[C@H]1CCN(C(=O)[C@H](C)Cl)C1 1875378291 YVPNPYWHVBRTCD-KWQFWETISA-N 286.759 2.036 50 50 CEGA N#Cc1ccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 100043916 OZAZYIZGOWUBOX-DTVMNVQKSA-N 267.332 2.445 50 50 CEGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 9041977 RYFCSFKHWWRMDE-LICLKQGHSA-N 298.346 2.061 50 50 CEGA O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C(c5ccccc5)[C@@H]43)[C@H]12 105346896 WRNPURQQOXPFLD-JBDWTNTLSA-N 278.307 2.448 50 50 CEGA COc1ccc(/C=C(\C#N)C(=O)C(C)(C)n2cncn2)cc1 1391388 JHVUZBPMWMFMIK-MDWZMJQESA-N 296.330 2.198 50 50 CEGA Cc1cc2c(c(=O)o1)[C@H](Cc1ccccc1)C(C#N)=C(N)O2 93880 PLHAHOKYJUCUBH-GFCCVEGCSA-N 294.310 2.361 50 50 CEGA CC(C)(C)c1ccc(C(=O)NNC(=O)C2CC2)cc1 142650 IPVNQFIZQZQLFZ-UHFFFAOYSA-N 260.337 2.155 50 50 CEGA CN(NC(=O)COc1ccccc1)c1ccccc1 41955 MEJUYEXIUGNQNF-UHFFFAOYSA-N 256.305 2.233 50 50 CEGA biogenic N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccc(O)c1 207989 DLLCXAZXLQGISA-OAHLLOKOSA-N 279.299 2.193 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)c1ccccc1F 323948 WPYQEANVWHIFLO-UHFFFAOYSA-N 272.279 2.209 50 50 CEGA Cc1ccc2c(c1)C(=O)O[C@H](CBr)C2 105642955 UYFFEAWEWCZRQP-VIFPVBQESA-N 255.111 2.471 50 50 CEGA NNC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 34925084 MOIQGAFIJWLMRR-UHFFFAOYSA-N 289.722 2.196 50 50 CEGA COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1O 252320676 KUHWPJWODCTYFX-QIEDYYHASA-N 288.347 2.287 50 50 CEGA O=C(N/N=C/c1cccs1)c1ccc2[nH]cnc2c1 13496642 QVXYFODXPYJJDZ-FRKPEAEDSA-N 270.317 2.388 50 50 CEGA COC12CC3C[C@@H](C1)C(NC(=O)[C@@H](C)Cl)[C@@H](C3)C2 1875380579 SQPINGOWLMCKEV-NDEHNQRUSA-N 271.788 2.324 50 50 CEGA C[C@H]1C(=O)[C@H]2CC(C)(C)[C@H]1C[C@H]2OC(=O)CCl 257358260 SMVCNZONBLVLDX-XFWSIPNHSA-N 258.745 2.408 50 50 CEGA CCc1ccc(OCC(=O)N/N=C/c2ccccc2O)cc1 437099 FXKMPGCRDYEQTN-WOJGMQOQSA-N 298.342 2.484 50 50 CEGA COc1cc(C=C(C#N)C#N)c([N+](=O)[O-])cc1OC 95836 CRUAGMDXCXBKPA-UHFFFAOYSA-N 259.221 2.043 50 50 CEGA CC(C)(C)c1n[nH]c2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 4718511 AHBJGTHUXDILJW-LLVKDONJSA-N 295.346 2.320 50 50 CEGA COC(=O)[C@@H](CCCCl)P(=O)(OC)OC 71766293 PRKDNKLNOSMXAG-SSDOTTSWSA-N 258.638 2.033 50 50 CEGA NC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 3469320 UMKRRWOQQIBNIC-LICLKQGHSA-N 269.304 2.268 50 50 CEGA CC(C)[C@@H](NC(=O)[C@H](C)Cl)C1(CO)CC=CC1 1875379995 BQESNPWDAJJLPI-WDEREUQCSA-N 259.777 2.083 50 50 CEGA C/C(Cc1ccc2c(c1)OCO2)=N\NC(=O)c1ccncc1 4737797 ADWBPYYXBNGLCI-WOJGMQOQSA-N 297.314 2.159 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1cc(C2CC2)n[nH]1 5687048 ALXJWQQGERVZGP-CXUHLZMHSA-N 284.319 2.060 50 50 CEGA C/C(=N\NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])o1 4578172 RGDWDTAFIRYAGA-NTEUORMPSA-N 273.248 2.342 50 50 CEGA CCN(CC)[C@H](CNC(=O)[C@H](C)Cl)c1ccco1 1875363507 FSROBUSXZLVVSR-WDEREUQCSA-N 272.776 2.406 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1CC12CCC2 62456 KZIGRXHQXKGLIL-PBJWJZLWSA-N 279.321 2.297 50 50 CEGA O=C(NNC(=O)c1ccncc1)Nc1ccccc1Cl 2532715 FPYWBBWIAKZHMJ-UHFFFAOYSA-N 290.710 2.202 50 50 CEGA Cc1ccc(/C=N\NC(=O)CNc2ccccc2C)o1 16671218 QPJYIMDXQYTMHF-MFOYZWKCSA-N 271.320 2.459 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1 1875378096 VPRMOZPEZQPVOD-ZANVPECISA-N 295.745 2.392 50 50 CEGA Cc1cc(F)ccc1CN(C(=O)CCl)[C@@H](C)CCO 1875382440 BBZQXKFMMLVGEX-NSHDSACASA-N 287.762 2.472 50 50 CEGA COc1ccc(NC(=O)[C@H](C)Br)cc1 4739122 OHKOKTSMJKGAHR-ZETCQYMHSA-N 258.115 2.417 50 50 CEGA CCc1n[nH]c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 6197586 AMQRHIKFTHTJTE-ZDUSSCGKSA-N 296.330 2.199 50 50 CEGA C[C@@H](Br)C(=O)N1CCc2ccccc21 32579625 UOOPTJBTNXNTCP-MRVPVSSYSA-N 254.127 2.359 50 50 CEGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 4579292 VZHLPPKLJUIYTC-IQFISFIMSA-N 296.326 2.367 50 50 CEGA Cc1n[nH]c2c1[C@@H](C1CCCCC1)C(C#N)=C(N)O2 6663732 PJOYQZXEFLKWFB-LBPRGKRZSA-N 258.325 2.468 50 50 CEGA COc1ccc(OC)c(/C(C)=N\NC(=O)c2ccncc2)c1 4737827 XWZDQVWRJSGQHU-WQRHYEAKSA-N 299.330 2.253 50 50 CEGA Cc1cccc(C/N=C2\NCCN2CCCl)c1C 96027719 ZJAZTAZLKGCEML-UHFFFAOYSA-N 265.788 2.303 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@@]23CCCC[C@@]32CCCO[C@H]12 257355628 BTHDCVWRZZVAES-VRCYMCHCSA-N 288.343 2.228 50 50 CEGA COC(=O)c1ccc(C(=O)CBr)cc1 15043187 CHEPDPSMYKFNAN-UHFFFAOYSA-N 257.083 2.051 50 50 CEGA in-vitro COc1cc(C)ccc1CN(C[C@H](C)CO)C(=O)CCl 1875382930 XUNLWKRFZLDCNV-LBPRGKRZSA-N 299.798 2.199 50 50 CEGA O=C1CO[C@H](CCBr)CN1Cc1ccccc1 306441177 LDTGBXVKHDUTDF-GFCCVEGCSA-N 298.180 2.199 50 50 CEGA Cc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)co1 5613316 TYQDWSZPQMWYIB-REZTVBANSA-N 282.303 2.088 50 50 CEGA CC(=O)NN(C(=O)c1ccccc1)c1ccccc1 121565 VNPZCPJJTYLQFZ-UHFFFAOYSA-N 254.289 2.385 50 50 CEGA C/C(=N\NC(=O)c1[nH]nc2c1CCCC2)c1ccco1 8564996 LMXZQHTUCRHGJE-OQLLNIDSSA-N 272.308 2.036 50 50 CEGA C/C(=N\NC(=O)c1cnccn1)c1ccccc1Cl 19835442 APVNQBKLKJNILM-RQZCQDPDSA-N 274.711 2.284 50 50 CEGA CN(C)/C=C(/C#N)n1cc(C(F)(F)F)cc(Cl)c1=O 261494771 FLMHMOCVENJSOX-VURMDHGXSA-N 291.660 2.404 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 301019 LBMCWERZKWKVFJ-MHWRWJLKSA-N 299.286 2.367 50 50 CEGA C[C@H](Cl)C(=O)N1Cc2ccccc2[C@@H](n2cccn2)C1 1875364430 QRDHSZCVIVFNFY-FZMZJTMJSA-N 289.766 2.442 50 50 CEGA O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1 243269 XBMCOYHOYXSRDF-LZYBPNLTSA-N 275.695 2.205 50 50 CEGA CC(C)(C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5044231 ITMYXEBMCWNLGH-UHFFFAOYSA-N 278.396 2.396 50 50 CEGA C=CCO[Si](OCC=C)(OCC=C)OCC=C 169746845 SQAIGLXMIMWFEQ-UHFFFAOYSA-N 256.374 2.232 50 50 CEGA C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 8143788 BLUAFEHZUWYNDE-NNWCWBAJSA-N 282.336 2.395 50 50 CEGA biogenic,world CN(NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1ccccn1 1629711638 BCOVPBPKCJABQO-CQSZACIVSA-N 296.330 2.067 50 50 CEGA CCc1sc(/C=C(/C#N)C(N)=O)cc1Br 43804 GMBACANELUGELY-UTCJRWHESA-N 285.166 2.465 50 50 CEGA CC1(C)CC(=NNC(=O)c2ccccc2O)CC(C)(C)N1 61855 NMGIGMZMQILHCK-UHFFFAOYSA-N 289.379 2.419 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)Nc1ccccc1 146477 PSQPMJNVXUUWQX-UHFFFAOYSA-N 269.304 2.462 50 50 CEGA O=C(NNc1ccc(F)cc1F)NC(=O)c1ccccc1 4796075 ZTPPWPGPSISZLE-UHFFFAOYSA-N 291.257 2.431 50 50 CEGA C[C@]12[C@H]3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]([C@H]35)[C@H]1Br)[C@H]42 245227185 DYJXAYHLFCEUAR-VNCRVKLRSA-N 253.139 2.097 50 50 CEGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccncc1 61336 AMDRLZATAWMLKJ-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA C[C@@H](CCc1ccccc1)N1CCN(C(=O)CCl)CC1 1875387227 VPPOHECJIPUOJL-AWEZNQCLSA-N 294.826 2.391 50 50 CEGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccco2)c1 1960230 MHORJQISFZORNE-GZTJUZNOSA-N 299.330 2.457 50 50 CEGA CCOC[C@@H](Br)C(OCC)OCC 2044172 NHUHYFRSGSQZIQ-MRVPVSSYSA-N 255.152 2.186 50 50 CEGA NNC(=O)c1sccc1OCc1ccc(F)cc1 169369 IGMHWXQGJIIXIX-UHFFFAOYSA-N 266.297 2.070 50 50 CEGA N#Cc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 8446662 WZWPMDAJZAKJES-MHWRWJLKSA-N 269.329 2.313 50 50 CEGA CCCCC(=O)NNC(=S)Nc1ccccc1 2861236 KSARPTDFXCPJRK-UHFFFAOYSA-N 251.355 2.194 50 50 CEGA CN1CC[C@@H](NC(=O)CCl)C[C@H]1c1ccccc1 1875378736 JORJZGBHHQELBW-OLZOCXBDSA-N 266.772 2.177 50 50 CEGA C[C@@H](Cl)C(=O)N1CCCC[C@H]1c1cnn(C)c1 1875377676 KPSHTEPRJTWRRR-KOLCDFICSA-N 255.749 2.101 50 50 CEGA Cc1noc2c1[C@H](c1ccsc1)C(C#N)=C(N)N2 27617 AGXIQZDKZGKYIU-SNVBAGLBSA-N 258.306 2.296 50 50 CEGA O=C(N/N=C/c1cccnc1)c1cccc(Cl)c1 40903 NQAILPIJQPUTRD-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA O=C(CCl)NC1(c2nc(-c3cccs3)n[nH]2)CCC1 1875379321 PUOLCIOKQSWQPF-UHFFFAOYSA-N 296.783 2.267 50 50 CEGA CC(C)[C@@H](NC(=O)/C(C#N)=C/C1CC1)c1cnn(C)c1 1875367040 PZZYORUBPAOEPN-TZWLIRKLSA-N 272.352 2.093 50 50 CEGA Cc1ccccc1NCC(=O)N/N=C/c1ccco1 261626 SGNQLUQPNQLMTG-CXUHLZMHSA-N 257.293 2.150 50 50 CEGA Br[C@@H]1C[C@@H]2O[C@H]2C[C@H]1Br 252428209 UPEVUGACLNEWPQ-ZXXMMSQZSA-N 255.937 2.075 50 50 CEGA C/C(=N\NC(=O)c1ccccc1F)c1ccccn1 5010140 HICWLIRXXOHZKD-LICLKQGHSA-N 257.268 2.375 50 50 CEGA C[C@H](Cl)C(=O)N1CC[C@@H](Cc2ccncc2)C1 1875377576 HOOKTBHZBZYOHA-JQWIXIFHSA-N 252.745 2.100 50 50 CEGA OB(O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 200227937 CPGMKXOOKRKAFT-UHFFFAOYSA-N 282.026 2.178 50 50 CEGA NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 587350 RJNOGGWECYOHOH-UHFFFAOYSA-N 269.515 2.016 50 50 CEGA in-vitro CCOC(=O)c1ccc(C)c(CNC(=O)CCl)c1 16687769 PETPHUJJSAPRJW-UHFFFAOYSA-N 269.728 2.027 50 50 CEGA CC(C)(C)c1ccc(/C=N/NC(=O)C[n+]2ccccc2)cc1 3192359 WGADIFJWDOVZFN-CPNJWEJPSA-O 296.394 2.422 50 50 CEGA N#C/C(=C\c1ccccc1Br)C(=O)O 4542948 NZUBROLOQQYFEN-VMPITWQZSA-N 252.067 2.441 50 50 CEGA O=C(CCl)NCc1ccsc1-n1cccc1 1875389751 JPFNSVBJFZTEHT-UHFFFAOYSA-N 254.742 2.394 50 50 CEGA COC(=O)c1ccc(OC)c(CBr)c1 59867126 LMGRAYHFYULRPI-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA CN(NC(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1 64370270 ULKNQKSXZBQKRP-UHFFFAOYSA-N 290.269 2.382 50 50 CEGA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Cl)CC1=O 33435319 GLQDYQMUQCZQTC-ONGXEEELSA-N 251.713 2.362 50 50 CEGA CC(C)(CCl)C(=O)Nc1ncc(C(=O)O)s1 725256315 DGRVWCNICKDYFQ-UHFFFAOYSA-N 262.718 2.045 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(O)cc1 284718 HCNGFGQYSKDZDJ-AWEZNQCLSA-N 270.288 2.063 50 50 CEGA Cc1c(NC(=O)[C@H](C)Cl)c(=O)n(-c2ccccc2)n1C 3270809 MORLKTUKTJISOL-VIFPVBQESA-N 293.754 2.050 50 50 CEGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1 8740974 QMMJZVHKTRHHPM-VGOFMYFVSA-N 262.700 2.135 50 50 CEGA Cc1nc(CNC(=O)N2CCSSCC2)cs1 1615057562 GFSKUCTUADBUAI-UHFFFAOYSA-N 289.451 2.358 50 50 CEGA Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccccc2)c1 43966 KOVRAUUYWKHYNJ-UHFFFAOYSA-N 298.342 2.143 50 50 CEGA O=C(CCl)Nc1ccccc1NC(=O)CCl 3122809 BIFWDRHEVJDNBT-UHFFFAOYSA-N 261.108 2.041 50 50 CEGA biogenic OB(O)c1ccccc1OCc1ccc(Cl)cc1Cl 169746413 HMNSZIXNILDVEY-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1O 358452 LXJINFFXLOOLMI-MHWRWJLKSA-N 276.336 2.431 50 50 CEGA C[C@H](Cl)C(=O)N(c1ccccc1)[C@@H]1CCOC1 1875377753 MWFXESXYYKAINF-CMPLNLGQSA-N 253.729 2.436 50 50 CEGA COc1ccc(C(=O)NNC(=O)Nc2ccc(C)cc2)cc1 371300 CNRWOGBSVPOFIA-UHFFFAOYSA-N 299.330 2.470 50 50 CEGA CCOc1ccc(NCC(=O)N/N=C/c2ccco2)cc1 524784 ZKYAKPCNPLTDCO-LICLKQGHSA-N 287.319 2.241 50 50 CEGA CCc1[nH]nc2c1[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 4955967 GHCODECNBOUKAA-SKDRFNHKSA-N 270.336 2.498 50 50 CEGA O=C(Cc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 59527 BEWCTIONMNBFAG-LFIBNONCSA-N 283.287 2.288 50 50 CEGA Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NN 118822 YGWSDBKJEBXZLC-UHFFFAOYSA-N 267.741 2.375 50 50 CEGA C[C@H](Cl)C(=O)NC1(c2noc(C(F)F)n2)CCC1 1875377305 BNZSNWFEPSWBGW-YFKPBYRVSA-N 279.674 2.130 50 50 CEGA C[C@@H](Cl)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 1875380064 DDIPWBFMVYCVOU-MRVPVSSYSA-N 264.712 2.104 50 50 CEGA CC(C)OC(=O)c1cccc(NC(=O)CCl)c1 1676666 MNVBNVNLODBHKB-UHFFFAOYSA-N 255.701 2.429 50 50 CEGA CC1(C)CCc2onc(CNC(=O)CCl)c2C1 1329677853 CTDCSGUKDUPMNM-UHFFFAOYSA-N 256.733 2.045 50 50 CEGA CC(C)c1cc(C(=O)N/N=C/c2ccc(O)cc2)[nH]n1 233033 ZYEVYKVNKPVQNF-OVCLIPMQSA-N 272.308 2.003 50 50 CEGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccccc1 4964078 NWJNBNIZPDNTCE-YBEGLDIGSA-N 270.288 2.252 50 50 CEGA CCOC(=O)CCC[C@H](Br)C(=O)OCC 34128592 BORVABMIWYCBSC-QMMMGPOBSA-N 281.146 2.046 50 50 CEGA C[C@H](Br)C(=O)Oc1ccc([N+](=O)[O-])cc1 138789112 LOVOFTZGZYJDIM-LURJTMIESA-N 274.070 2.284 50 50 CEGA CCCCCCCCOc1ccccc1B(O)O 196376957 IXBINCPWFBHJHE-UHFFFAOYSA-N 250.147 2.106 50 50 CEGA O=C(CBr)c1c(F)cc([N+](=O)[O-])cc1F 263624208 OJHATQGQVXGZCV-UHFFFAOYSA-N 280.024 2.451 50 50 CEGA CC(C)(C)[Si](C)(C)OCCN1C(=O)NC2(CCC2)C1=O 408521105 IOQMTJDMWKKDKX-UHFFFAOYSA-N 298.459 2.483 50 50 CEGA C[C@@H](Cl)C(=O)N1Cc2ccccc2OC[C@H]1C 1875366548 WILCGWROOIUANQ-NXEZZACHSA-N 253.729 2.423 50 50 CEGA O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 4539549 RHYGCUVOHREOHG-UHFFFAOYSA-N 288.347 2.257 50 50 CEGA N#C/C(=C(/O)CCC(=O)O)c1nc2ccccc2[nH]1 100506678 UJQMBJVBKOXMNL-FLIBITNWSA-N 257.249 2.220 50 50 CEGA COc1ccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 8686555 KZIXAWSSNZVJGA-UHFFFAOYSA-N 288.347 2.203 50 50 CEGA CC1(C)[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 101003778 HABMDFNVGDCWLC-HNUDOTCJSA-N 258.317 2.315 50 50 CEGA CC(C)(C)OC(=O)[C@@H](NC(=O)CCl)c1ccccc1 299805253 GABBQXFZCSOUAX-LBPRGKRZSA-N 283.755 2.424 50 50 CEGA C[C@@H](Cl)C(=O)NC[C@@H]1CCN(C)c2ccccc21 1875364828 VESYYNGSCBXKIE-MNOVXSKESA-N 266.772 2.354 50 50 CEGA CC[C@@H](Br)C(=O)Nc1cccc(C(=O)O)c1 61488592 KPMZYDGYQPSXIH-SECBINFHSA-N 286.125 2.497 50 50 CEGA COc1ccc(NNC(=O)C2=CCCCCC2)nc1 159416602 HEKZGERAMFRQMN-UHFFFAOYSA-N 261.325 2.424 50 50 CEGA C[C@H](Cl)C(=O)N1CCO[C@]2(CCc3ccccc32)C1 1875378236 XYDQZSPJEURTPQ-XHDPSFHLSA-N 279.767 2.314 50 50 CEGA CC(/C=C/c1ccco1)=N\NC(=O)c1ccccn1 12343249 ZESGGBVVYXPSQS-LLDULDGKSA-N 255.277 2.494 50 50 CEGA C[C@H](Cl)C(=O)Nc1ccc([C@@H]2CCC(=O)N2)cc1 1875368088 PBAKGJDSUIEARP-KWQFWETISA-N 266.728 2.204 50 50 CEGA C[C@@H](Br)C(=O)N(C)Cc1ccccc1 6032446 XVTHMIPQYXGCRN-SECBINFHSA-N 256.143 2.428 50 50 CEGA O=C(NNC(=O)c1ccccc1O)c1ccc(Cl)cc1 4039770 AQVSOQCEJLFIBA-UHFFFAOYSA-N 290.706 2.120 50 50 CEGA CO[Si](CSc1nc2ccccc2o1)(OC)OC 195814663 LVNFIMOMKMXUTP-UHFFFAOYSA-N 285.397 2.337 50 50 CEGA COC(=O)/C(C#N)=C/c1cccc(OC)c1Cl 4541859 QHACPTZFYOLYLS-RMKNXTFCSA-N 251.669 2.429 50 50 CEGA COc1cccc(C(=O)NNC(=O)Nc2ccccc2)c1 292841 IXOVQMWBQJGYLZ-UHFFFAOYSA-N 285.303 2.162 50 50 CEGA C[C@@H](Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 71671036 KDFRZPXMVUTVQF-ZCFIWIBFSA-N 286.784 2.292 50 50 CEGA O=C(CCCCl)N1C=CC(=C2N=c3ccccc3=N2)C=C1 1848443955 FZFFHLFKXHBPGE-UHFFFAOYSA-N 299.761 2.040 50 50 CEGA C[C@@H](Cl)C(=O)NC1(COc2ccccc2)CC1 1875370531 SGVILGJEOUXCMX-SNVBAGLBSA-N 253.729 2.342 50 50 CEGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)c1 4259080 YTNPBMFBUPRJFM-VCHYOVAHSA-N 299.305 2.223 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 333637 MIOXIZADVTVQBO-CQSZACIVSA-N 299.286 2.265 50 50 CEGA C[C@]12C[C@H](Br)[C@H](Br)C[C@@H]1O2 104276923 JVHROALZCZFSSO-BWBBJGPYSA-N 269.964 2.465 50 50 CEGA Cc1ccc(C)c(OCc2cccc(C(=O)NN)c2)c1 2568640 SQXHTZLYNOPTPE-UHFFFAOYSA-N 270.332 2.486 50 50 CEGA C[C@@H](Cl)C(=O)N[C@H](C)c1cnn(CC2CCC2)c1 1875367235 DSHGPOGBPWQOOA-NXEZZACHSA-N 269.776 2.488 50 50 CEGA N#CC(NC(=O)c1ccc([N+](=O)[O-])cc1)=C(Cl)Cl 283733 JHWDHDBFHIRXSA-UHFFFAOYSA-N 286.074 2.495 50 50 CEGA C[C@@H](NC(=S)NNC(=O)c1ccco1)c1ccccc1 2772041 XFELULDFXCRXAQ-SNVBAGLBSA-N 289.360 2.150 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccoc2C)c1 232391 IBGKHWDQUUAZCD-OQLLNIDSSA-N 258.277 2.361 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1 134438 DKVLYYLJXQRLNT-LICLKQGHSA-N 269.304 2.041 50 50 CEGA CCOC(=O)C/C(C)=N/NC(=O)[C@H]1C[C@H]1c1ccccc1 5315318 ICULRNROKKFCHD-MSUZTGCTSA-N 288.347 2.235 50 50 CEGA CCOC(=O)[C@@]12CCCC[C@@H]1N(C(=O)[C@@H](F)Cl)CC2 2325898211 XBEMSAPWMPCRKS-OPQQBVKSSA-N 291.750 2.245 50 50 CEGA O=C(O)c1ccc(CBr)c([N+](=O)[O-])c1 32329 QMAHVAFURJBOFV-UHFFFAOYSA-N 260.043 2.188 50 50 CEGA biogenic,in-vitro COc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1 512426 KFSHRCQWZDWKFP-UHFFFAOYSA-N 276.336 2.037 50 50 CEGA CC(C)(C)OC(=O)NNc1cccc(C(=O)O)c1 71606506 QALBKMGURMIQOA-UHFFFAOYSA-N 252.270 2.236 50 50 CEGA in-vitro O=C(N/N=C/C=C/c1ccccc1)c1n[nH]c2c1CCC2 13467881 HCGOUBRDLPJVCP-NSYQEJESSA-N 280.331 2.327 50 50 CEGA C[C@@H](Cl)C(=O)N(C)C[C@H]1OCCc2ccccc21 1875363828 BBSNLTVBNASCQW-ZWNOBZJWSA-N 267.756 2.386 50 50 CEGA CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@H](Br)C2=O 2129610 MTHNSUMNUZOJER-FZYJTZEISA-N 275.142 2.230 50 50 CEGA biogenic CCNC(=O)N/N=C(\C)c1ccc(SC)cc1 222150372 QLKMPWSZFHJZAS-NTEUORMPSA-N 251.355 2.452 50 50 CEGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(O)cc1O 245226537 AWHOKDBSDWPXQZ-XRZDQELQSA-N 288.347 2.374 50 50 CEGA COC(=O)c1scc(C(=O)CBr)c1F 498050509 JBGRTETYVNLQEW-UHFFFAOYSA-N 281.102 2.251 50 50 CEGA O=C(N/N=C/c1ccccc1F)c1ccc(O)cc1O 433329 ZAVJXEMUKJBCGF-LZYBPNLTSA-N 274.251 2.001 50 50 CEGA CC1(C)OC2(CI)CC1C2 1535645461 ANRSZJJEPOOPST-UHFFFAOYSA-N 252.095 2.379 50 50 CEGA Cc1cc(C(=O)N/N=C/c2ccccc2Cl)[nH]n1 18106337 NIBMDCYEYVQFFC-VGOFMYFVSA-N 262.700 2.135 50 50 CEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2566430 YVQBSSQLYCEDOK-WOJGMQOQSA-N 295.342 2.392 50 50 CEGA O=C(CCl)N[C@H](c1ccccc1)[C@@H]1CCOC1 1875375097 RAXIJKLKKXAJOQ-DGCLKSJQSA-N 253.729 2.119 50 50 CEGA NNC(=O)c1cc(-c2ccco2)nc2ccccc12 3269688 QPAPHIVGAVWZPA-UHFFFAOYSA-N 253.261 2.098 50 50 CEGA O=C(N/N=C/c1ccc(F)cc1)[C@@H](O)c1ccccc1 437443 ONGLCRGDLRCTNU-FBJMNJBLSA-N 272.279 2.009 50 50 CEGA COc1ccc(/C(C)=N/NC(=O)c2ccco2)c(OC)c1 12343256 REOFPCSATNMWMN-MHWRWJLKSA-N 288.303 2.451 50 50 CEGA COc1ccc2c(c1)OCCN2C(=O)[C@@H](C)Cl 1875368892 CRABZFDQQGPNCN-MRVPVSSYSA-N 255.701 2.048 50 50 CEGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(F)cc1 257645 QGYVBUPVHYYKJY-CXUHLZMHSA-N 260.272 2.011 50 50 CEGA CS(=O)(=O)c1ccc(CBr)cc1F 117591894 CJNUKUVHHHSIOD-UHFFFAOYSA-N 267.119 2.124 50 50 CEGA O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccc1 252501070 UCBVFCGEOLLICC-LFIBNONCSA-N 283.287 2.288 50 50 CEGA O=C(CCl)N1CCC[C@H]1c1ccc2c(c1)OCO2 1116434059 LYVAJRDQGCXGJH-JTQLQIEISA-N 267.712 2.318 50 50 CEGA C[C@H](Cl)C(=O)NC[C@]1(C)OCCc2sccc21 1875377318 BWPJVHVCXNTAIH-UFBFGSQYSA-N 273.785 2.280 50 50 CEGA COc1ccccc1NCC(=O)N/N=C/c1ccccc1 60451 KPOONCRJLMTMEO-WOJGMQOQSA-N 283.331 2.257 50 50 CEGA N#C/C(=C\c1ccc2nc(O)[nH]c2c1)C(=O)NC1CCCC1 585136237 XLTVEMUVBTZNAJ-YRNVUSSQSA-N 296.330 2.234 50 50 CEGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1 491795 UDVKUGPRSMTULL-MHWRWJLKSA-N 299.286 2.124 50 50 CEGA CCc1n[nH]c2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1004524 SMMNAHMXLZYKJU-ZDUSSCGKSA-N 296.330 2.199 50 50 CEGA COc1ccccc1C(=O)NNC(=O)CC1CCCC1 72436997 ONMYSGHUYYDOSN-UHFFFAOYSA-N 276.336 2.037 50 50 CEGA CC(C)(C)OCc1cc(CNC(=O)[C@@H](F)Cl)no1 2325898427 CBPXORVQTFOQIF-SECBINFHSA-N 278.711 2.140 50 50 CEGA COC12CC3C[C@@H](C1)C(NC(=O)[C@H](C)Cl)[C@@H](C3)C2 1875380578 SQPINGOWLMCKEV-FCKXHYEJSA-N 271.788 2.324 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 284753 ZAGROISUWIQWLU-AWEZNQCLSA-N 299.286 2.265 50 50 CEGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccncc1 2836087 JMHGEUVOQANZLU-UIZJRPAISA-N 296.286 2.419 50 50 CEGA COC(=O)c1ccc(NC(=O)CCCCl)cc1 2027887 WHWXJEULBQHODN-UHFFFAOYSA-N 255.701 2.431 50 50 CEGA CC[C@@H](Br)C(=O)Nc1ccc(C(=O)O)cc1 3161440 KVTXPJWARJYDQZ-SECBINFHSA-N 286.125 2.497 50 50 CEGA O=C(COc1ccccc1Cl)N/N=C\c1ccccn1 4675308 RRQSXYKOBJWGIF-MFOYZWKCSA-N 289.722 2.264 50 50 CEGA COCCNC(=O)/C(C#N)=C/C(C)=C/c1ccccc1 4724543 XAWKFHHUGDZGPM-FVIOEUFFSA-N 270.332 2.302 50 50 CEGA O=C(N/N=C/C=C/c1ccco1)[C@H](O)c1ccccc1 4898654 QRCOLKJSUGVWGL-CMGWWXGZSA-N 270.288 2.128 50 50 CEGA O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(O)cc1O 4989645 FQESQADCJXWSJK-KXUVPBGPSA-N 260.293 2.170 50 50 CEGA CSC1=C(C#N)C2(CCCCC2)[C@H](C#N)C(=O)N1 9108661 IHTPWWVPPIKLKZ-SECBINFHSA-N 261.350 2.305 50 50 CEGA O=C(N/N=C/c1ccccc1Cl)c1cn2ccncc2n1 43761370 PWLPASYHXPROLV-REZTVBANSA-N 299.721 2.147 50 50 CEGA Cc1cccc(/C=N/NC(=O)Cc2ccccc2)c1O 298592 HXOUIXQBWPVESK-GZTJUZNOSA-N 268.316 2.393 50 50 CEGA CN(C(=O)CCl)[C@H](c1ccccc1)c1ncc[nH]1 1875374913 JNRGKPBZKZOJIF-GFCCVEGCSA-N 263.728 2.196 50 50 CEGA O=C1c2ccccc2C(=O)N1CCCCBr 1596349 UXFWTIGUWHJKDD-UHFFFAOYSA-N 282.137 2.458 50 50 CEGA CN1CC[C@@H](NC(=O)CCl)C[C@@H]1c1ccccc1 1875378734 JORJZGBHHQELBW-CHWSQXEVSA-N 266.772 2.177 50 50 CEGA O=C(OCI)c1ccccc1 112955722 KCQMUFYIGUHOMQ-UHFFFAOYSA-N 262.046 2.236 50 50 CEGA CN(C)/C=C(\C#N)c1ccc(N2CC(C)(C)C2=O)cc1 1383248 CVDKKMWMCFKDCS-JLHYYAGUSA-N 269.348 2.485 50 50 CEGA C[C@H](Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 71671035 KDFRZPXMVUTVQF-LURJTMIESA-N 286.784 2.292 50 50 CEGA C=CCc1cccc(/C=N/NC(=O)c2ccco2)c1O 242610 HEDVAAHIWJLAGY-MHWRWJLKSA-N 270.288 2.478 50 50 CEGA CC(C)(C)c1ccc(-c2ccccc2B(O)O)cc1 1857523338 MHASLDKIIDDISL-UHFFFAOYSA-N 254.138 2.331 50 50 CEGA COC(=O)c1cccc(OCCBr)c1 12336617 CGGLKWTURIUCMN-UHFFFAOYSA-N 259.099 2.247 50 50 CEGA in-vitro C[C@H](NC(=O)CCl)[C@H]1OCCc2sccc21 1875378002 SZVKCWAOKKMAOI-WRWORJQWSA-N 259.758 2.105 50 50 CEGA C[C@@H](Cl)C(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2 1875377648 JZSPMMNMVVROHA-MRVPVSSYSA-N 280.755 2.160 50 50 CEGA C[C@@H](Br)c1nc2ccccc2c(=O)[nH]1 3135776 HWCHMSTXWLBOFE-ZCFIWIBFSA-N 253.099 2.379 50 50 CEGA N#CC(NC(=O)COc1ccc(F)cc1)=C(Cl)Cl 1775976831 VDEDCIWEFJPXEQ-UHFFFAOYSA-N 289.093 2.491 50 50 CEGA C[C@H](Cl)C(=O)N[C@H](C)c1nccc(C(F)F)n1 1875376151 NKOGHBXGTSDEGB-NTSWFWBYSA-N 263.675 2.219 50 50 CEGA Cc1cc(C)n(CC2CCN(C(=O)[C@H](C)Cl)CC2)n1 1875364196 JQECROSBMYCVNP-LBPRGKRZSA-N 283.803 2.366 50 50 CEGA CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCl)C(=O)N2 1875377954 SAYKDCWFOQYWGZ-GFCCVEGCSA-N 266.728 2.158 50 50 CEGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 245226694 IPDUMBBHVFXDDF-TUTMEKMQSA-N 291.307 2.464 50 50 CEGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 254752425 MBOCWUFISKKKSD-WJWBUKISSA-N 254.285 2.011 50 50 CEGA O=C(N/N=C/c1cccs1)c1n[nH]c2c1CCCC2 13635946 HFDGCAGADZJKHB-RIYZIHGNSA-N 274.349 2.114 50 50 CEGA OB(O)c1ccc(CNc2cccc3ccccc23)cc1 202559784 BSMMKWBLXDFJMG-UHFFFAOYSA-N 277.132 2.132 50 50 CEGA COC(=O)N[C@@]1(C)CC=CC[C@@H]1I 4973065 JMWWGCUDULNSNE-CBAPKCEASA-N 295.120 2.255 50 50 CEGA O=C(Nc1c[nH]nc1-c1nccs1)[C@H](F)Cl 2325898713 WLAUWIJTNIWEKE-LURJTMIESA-N 260.681 2.006 50 50 CEGA Cc1ccccc1/C=N/NC(=O)c1cc(O)cc(O)c1 125180 QLTUEYNXJZYAGB-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA CCC(=O)N[C@H](N=C=S)C(Cl)(Cl)Cl 3130734 BNBYHKKMDYWSJU-YFKPBYRVSA-N 261.561 2.312 50 50 CEGA C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCl 1319681587 CQISOJDKUXZPSH-VVVCHXIZSA-N 273.785 2.182 50 50 CEGA Cc1occc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 228211 GFXCPZNKYRPLRY-RIYZIHGNSA-N 273.248 2.260 50 50 CEGA CSC1=C(C#N)[C@@](C)(c2ccccc2)[C@H](C#N)C(=O)N1 208401 JLKKGHXMXMBBIT-ABAIWWIYSA-N 283.356 2.312 50 50 CEGA O=C(CSc1ccccn1)N/N=C/c1ccccc1 291387 WAJOCVUNKJNWIO-MHWRWJLKSA-N 271.345 2.324 50 50 CEGA CC1=NN(c2ccccc2)C(=O)[C@@H]1Br 4503307 VUKNWMJGQDNINW-SECBINFHSA-N 253.099 2.173 50 50 CEGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1cccc(O)c1 4980459 GRGGLYVCNPFLPC-CXUHLZMHSA-N 284.319 2.147 50 50 CEGA O=c1c(Br)c(CCl)nc2ccccn12 39428555 UOQARUIEXGTABL-UHFFFAOYSA-N 273.517 2.196 50 50 CEGA CCc1ccc(/C=N/NC(=O)c2ccncc2)cc1 61613 PLNPNWMJYXIHEZ-GZTJUZNOSA-N 253.305 2.408 50 50 CEGA O=C(COc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 175835 WRWGMFJPEJRIEG-MHWRWJLKSA-N 299.286 2.124 50 50 CEGA O=C(COc1ccccc1)N/N=C/c1ccccc1 261262 LUKSFLWQOOVCOS-LFIBNONCSA-N 254.289 2.216 50 50 CEGA O=C(CCl)Nc1ccc(OC(=O)CCl)cc1 2017916 NCHAQEGVLDMYGR-UHFFFAOYSA-N 262.092 2.008 50 50 CEGA C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3C[C@H]3C)cc2C1 229360007 VJGVDBXQDVZXHC-FXPVBKGRSA-N 292.404 2.290 50 50 CEGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)NC1CCCCC1 217460460 JVWMVMVCRKXTPU-ITGUQSILSA-N 279.384 2.086 50 50 CEGA C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)O 140317640 XVSPKVRBCPVKPR-RKDXNWHRSA-N 277.411 2.290 50 50 CEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccs1 43736 RUUFWFAJRDQJBT-NSHDSACASA-N 276.317 2.003 50 50 CEGA C=CC[C@@]1(C#N)C(=S)NC(N)=C(C#N)C12CCCC2 495595 PLZWXGASDUWMQC-CQSZACIVSA-N 272.377 2.257 50 50 CEGA COc1cc(/C=N/NC(N)=O)ccc1OCc1ccccc1 3469287 AUNGYZXTMLWWPP-VCHYOVAHSA-N 299.330 2.276 50 50 CEGA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Cl)C1 1875363596 LODCCKDFQRQNKW-QJPTWQEYSA-N 288.819 2.157 50 50 CEGA O=C(N/N=C/c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 4348988 YFGOGDHLFDCVHJ-GECXBNKPSA-N 265.316 2.335 50 50 CEGA O=C(O)[C@H](Br)c1noc2ccccc12 39347114 GOEZDVVTYIWCAJ-SSDOTTSWSA-N 256.055 2.348 50 50 CEGA Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CCl)o1 1336910747 ZWQIUHDNTGABHU-GFCCVEGCSA-N 291.738 2.243 50 50 CEGA COc1ccc(-c2nnc(NC(=O)CCl)s2)cc1 8492913 YGJNGWLZMGGYCH-UHFFFAOYSA-N 283.740 2.391 50 50 CEGA CN1CCC(=NNC(=O)CSCc2ccccc2)CC1 55433403 ANXRKTNHUAKZMB-UHFFFAOYSA-N 291.420 2.118 50 50 CEGA CC(=O)NNc1nc([C@H]2COc3ccccc3O2)cs1 344027 VUYVAILUGCSLLE-GFCCVEGCSA-N 291.332 2.119 50 50 CEGA COc1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 9046286 ZWBOBMGGHYRUJR-CXUHLZMHSA-N 284.319 2.060 50 50 CEGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(O)cc1O 4360444 PVBFFNUHYWBKDC-LZYBPNLTSA-N 274.251 2.001 50 50 CEGA C/C(=N\NC(=O)Cc1cccn1C)c1ccccc1 13113659 NTQCTYCJCWZCGI-FOWTUZBSSA-N 255.321 2.108 50 50 CEGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1 2566425 PTCXYFAVTKNVLL-VCHYOVAHSA-N 299.305 2.223 50 50 CEGA CC1(C)CC(=O)C/C(=N\NC(=O)Cc2ccccc2)C1 100007631 DUGOTOLLAQSTLE-GHRIWEEISA-N 272.348 2.481 50 50 CEGA CCCOc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1 5126125 NDKZMFGJSLDEOU-MHWRWJLKSA-N 286.335 2.271 50 50 CEGA C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccc(C)cc1 5296514 UGNZOJOXKRBITQ-GZTJUZNOSA-N 282.347 2.361 50 50 CEGA O=C(CCl)N1CCN(c2ccc(Cl)cc2)CC1 5394842 JBSAVIITEALCKH-UHFFFAOYSA-N 273.163 2.227 50 50 CEGA O=C(CCl)N1CCN(c2cccc3[nH]ccc23)CC1 1118920271 NXHQWFHWQVPVJH-UHFFFAOYSA-N 277.755 2.055 50 50 CEGA CC(C)[C@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O 5727398 NCWARQGSAYOFNE-SNVBAGLBSA-N 265.696 2.073 50 50 CEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccccc1 41437 BJYPUOCKWBTIGT-GFCCVEGCSA-N 294.738 2.097 50 50 CEGA Cc1cc2nc(CBr)c(=O)[nH]c2cc1C 49582351 JCCFHYUITRDGJV-UHFFFAOYSA-N 267.126 2.435 50 50 CEGA OB(O)c1cc(OCc2ccccc2)c(Cl)cc1Cl 169934410 WKVMHOHDMRUZMC-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro O=C(Cc1cccs1)N/N=C/c1cccc([N+](=O)[O-])c1 520594 GHYJXMWOFWOULX-NTEUORMPSA-N 289.316 2.349 50 50 CEGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccnc1 108030 BYNZBQVDYXVNBB-CQSZACIVSA-N 265.272 2.005 50 50 CEGA CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(CCl)C1 536949545 XTYMSPGVTAVTLJ-SKDRFNHKSA-N 261.749 2.109 50 50 CEGA O=C(N/N=C/c1cccc(Cl)c1)c1cccnc1 227619 FBPWBCALMOELRP-LZYBPNLTSA-N 259.696 2.499 50 50 CEGA O=C(CCl)Nc1ccc(N2CCSCC2)cc1 1116437597 JHOPZEZZCKRWLB-UHFFFAOYSA-N 270.785 2.417 50 50 CEGA Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1C[C@@H]1CCCO1 3300679 ZUEPDPWATBVSFH-GUNGLEHYSA-N 274.320 2.276 50 50 CEGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1 2335295 QOKCXZHCQURJMV-CRXRTXPVSA-N 296.286 2.419 50 50 CEGA Nc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])cc1 2516162 IFHJJPYCVMFLMB-UHFFFAOYSA-N 258.233 2.396 50 50 CEGA in-vitro C[C@H](Cl)C(=O)N(C)C[C@H]1OCCc2ccccc21 1875363826 BBSNLTVBNASCQW-GXFFZTMASA-N 267.756 2.386 50 50 CEGA Cc1cc(CNC(=O)[C@]23CCC[C@H]2[C@@H]3Br)no1 585121776 ZGIAETYSEIMTMH-JBLDHEPKSA-N 299.168 2.163 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 1875363918 DOGYIPAWXHFIEH-AXFHLTTASA-N 255.749 2.110 50 50 CEGA O=C(CCl)Nc1cnc(-c2cccc(O)c2)nc1 1319797677 KNRRVVRZXZCQHK-UHFFFAOYSA-N 263.684 2.027 50 50 CEGA O=C(CCl)Nc1cc(Br)cc2c1OCO2 1875374657 BUQNXZGGYACZHV-UHFFFAOYSA-N 292.516 2.355 50 50 CEGA CC[C@H](Br)C(=O)Nc1ccccc1C(=O)O 61492994 OIJORTFODCVDBZ-QMMMGPOBSA-N 286.125 2.497 50 50 CEGA Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2cccnc2)c1 137691 FTWXJARYIPHSNV-FHXOWUIVSA-N 283.331 2.308 50 50 CEGA CCN(CC)[C@H](CNC(=O)[C@@H](C)Cl)c1ccco1 1875363504 FSROBUSXZLVVSR-GHMZBOCLSA-N 272.776 2.406 50 50 CEGA C[C@@H](Cl)C(=O)Nc1ccc2oc(N(C)C)nc2c1 1875363804 ANPAPCSVLBVCAW-SSDOTTSWSA-N 267.716 2.460 50 50 CEGA Cc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)CCl)cc1 2325901429 FTIDWILCYMKVGO-HNNXBMFYSA-N 289.766 2.431 50 50 CEGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc(O)c1 284723 CTLIOFRYDKNJKT-HNNXBMFYSA-N 280.283 2.316 50 50 CEGA O=C(N/N=C/c1nc2ccccc2[nH]1)[C@@H]1[C@H]2CCCC[C@H]21 252327506 KDFWNEPGXFOJME-HRBFBTEYSA-N 282.347 2.449 50 50 CEGA CC1CCN(/C(N)=C(\C#N)C(=O)Nc2ccccc2)CC1 584908809 PCOUPTDNYVUFIO-CCEZHUSRSA-N 284.363 2.051 50 50 CEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 2571762 HIZCIVGEGOMDKU-WOJGMQOQSA-N 295.342 2.392 50 50 CEGA CCCNC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)[nH]1 585135855 GIAXEVCKGGMITJ-SOFGYWHQSA-N 271.242 2.467 50 50 CEGA CC(=O)O[C@@H]1NC(=O)[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C 195807949 GWHDKFODLYVMQG-XRNSZHNASA-N 287.432 2.032 50 50 CEGA Cc1[nH]nc2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 18142585 JUKGOVSNHDRQSS-GFCCVEGCSA-N 270.267 2.075 50 50 CEGA O=C(CCl)N1CCC([C@H](O)c2ccc(F)cc2)CC1 1319675294 ZDQJZNVIFUIWOP-CQSZACIVSA-N 285.746 2.337 50 50 CEGA COc1ccc(C=C(C#N)C#N)cc1Cn1cccn1 2775146 CSTRGGOZGAOCKZ-UHFFFAOYSA-N 264.288 2.371 50 50 CEGA O=C(N/N=C/c1ccncc1)c1c[nH]c2ccccc12 175249 FOYKDZGIJLQWJR-GIJQJNRQSA-N 264.288 2.327 50 50 CEGA O=C1N[C@@H]2[C@H](CCCCCBr)SC[C@@H]2N1 98181597 UOEFYJDREUFJRJ-CIUDSAMLSA-N 293.230 2.107 50 50 CEGA C[C@@H](Cl)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 1875366437 JGLPMRRIAFZKPJ-ZCFIWIBFSA-N 283.681 2.025 50 50 CEGA COC(=O)c1cc(CBr)ccc1OC 91691844 ZNQXAVJDXSCHGF-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA CN(Cc1nc(C(F)(F)F)cs1)C(=O)CCl 1320465198 CTVLUFMIOPTMQS-UHFFFAOYSA-N 272.679 2.359 50 50 CEGA CSC1=C(C#N)[C@H](c2cccc(O)c2)CC(=O)N1 8971611 RMLDESOPQZKJDJ-JTQLQIEISA-N 260.318 2.094 50 50 CEGA C[C@H](Cl)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 1875303541 CTEPLVYNNANXEF-HZMBPMFUSA-N 262.740 2.181 50 50 CEGA NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 150799 GBBRFBSFWKFTMZ-UHFFFAOYSA-N 272.148 2.328 50 50 CEGA in-vitro O=C(CBr)c1c(F)cc(F)cc1[N+](=O)[O-] 263623000 CUCUPYHTKCVOCP-UHFFFAOYSA-N 280.024 2.451 50 50 CEGA C[C@@H](Cl)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 1875366514 QYPOTSYTRUGZID-ZJUUUORDSA-N 286.734 2.218 50 50 CEGA Cn1cc(CN(C(=O)CCl)c2ccccc2)cn1 2325890218 JUVNVRDBQMBKGL-UHFFFAOYSA-N 263.728 2.192 50 50 CEGA CC(C)(C)OCc1cc(CNC(=O)[C@H](F)Cl)no1 2325898428 CBPXORVQTFOQIF-VIFPVBQESA-N 278.711 2.140 50 50 CEGA C[C@H](Cl)C(=O)N1CCC(c2noc(C3CC3)n2)CC1 1875377565 HFRCEVRGASVZKA-QMMMGPOBSA-N 283.759 2.280 50 50 CEGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1O 253921 BQDXUAWNMMUDFV-LICLKQGHSA-N 284.315 2.473 50 50 CEGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1O 16134181 LVGDDYSLMCRYJE-YBEGLDIGSA-N 270.288 2.252 50 50 CEGA Cc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 226739 UCUBIDBNHZAKTI-UHFFFAOYSA-N 254.289 2.070 50 50 CEGA COc1cccc(NC(=O)[C@H](C)Br)c1 32919884 CWJKBWFMCUJFGP-ZETCQYMHSA-N 258.115 2.417 50 50 CEGA O=C(O)[C@H](Br)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 118897212 WZEMCIVRSRWCLK-HAPPLVQASA-N 289.169 2.166 50 50 CEGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)ncn2CCN(C)C 1875369103 ZJXXWUFBOVXIKX-SNVBAGLBSA-N 294.786 2.164 50 50 CEGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccnc1 241009 KGOHKIXLJKJVSY-OTYXRUKQSA-N 281.315 2.142 50 50 CEGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1O 100734898 KVHWIGHZJOAXTN-CXUHLZMHSA-N 284.319 2.147 50 50 CEGA C/C(=N/NC(=O)c1ccc(O)cc1)c1cccc(N)c1 12342894 ZQPCJQGUVLQXNU-YVLHZVERSA-N 269.304 2.128 50 50 CEGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccoc1 242416 CNYRCBDCFWWROR-AMIZOPFISA-N 270.288 2.340 50 50 CEGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN 4201748 JBEZJVBXJSLJKB-LBPRGKRZSA-N 286.331 2.023 50 50 CEGA C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CCCl 3671082 MSKNJYWBQAJGEB-SECBINFHSA-N 266.728 2.379 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccccc2)cc1 511038 SHSNILXAPAXVEH-LFIBNONCSA-N 254.289 2.459 50 50 CEGA CC(C)c1cc(C(=O)N/N=C/c2ccc(F)cc2)n[nH]1 232969 QYPZXSWVKYWLEN-LZYBPNLTSA-N 274.299 2.436 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1O)[C@H]1C[C@H]1c1ccccc1 4066470 JXJKGNIHPNFIOL-CXJPLEHTSA-N 296.326 2.352 50 50 CEGA O=C(O)CCSSCCNC(=O)C1[C@@H]2CCC[C@@H]12 1875388594 HWTZWNZNIMZODF-RKDXNWHRSA-N 289.422 2.005 50 50 CEGA Cc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)o1 2801756 RUIGBNMQAXQEGC-UHFFFAOYSA-N 267.288 2.407 50 50 CEGA COc1cc(/C=C(/C#N)C(N)=S)cc(Cl)c1O 4810156 CGENYDHETDYLAH-UQCOIBPSSA-N 268.725 2.247 50 50 CEGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccco1 76410 DVVWNKCOJNHBPT-ZETCQYMHSA-N 296.208 2.240 50 50 CEGA Cc1ccc(COc2ccc(C(=O)NN)cc2)cc1 1405365 DXNPTUURAAALDS-UHFFFAOYSA-N 256.305 2.178 50 50 CEGA Cc1ccc(NCc2ccc(C(=O)NN)cc2)cc1 34925132 ZUEBGAIIRRUOAP-UHFFFAOYSA-N 255.321 2.211 50 50 CEGA O=C(NN=C1CCc2ccccc21)c1cccnc1 243901507 BCBBKHOMYSWBRS-UHFFFAOYSA-N 251.289 2.162 50 50 CEGA C[C@H](Br)[C@](C)(Br)C(=O)O 5046363 WWYSKCWQDVVVKF-UCORVYFPSA-N 259.925 2.008 50 50 CEGA CC(C)(C)c1cc(C(=O)N/N=C/c2cccc(O)c2)[nH]n1 5685927 YOGXQQVYERUPTR-CXUHLZMHSA-N 286.335 2.177 50 50 CEGA CCc1n[nH]c2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 1004523 SMMNAHMXLZYKJU-CYBMUJFWSA-N 296.330 2.199 50 50 CEGA COc1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1 5370468 JFPWOTGEHCXLRL-GZTJUZNOSA-N 269.304 2.244 50 50 CEGA C[C@H](Cc1ccc2c(c1)CCC2)NC(=O)CCl 1875370664 YBQZGEAYBKOSRT-SNVBAGLBSA-N 251.757 2.461 50 50 CEGA COc1cc(Br)cc2c1OCC(C=O)=C2 2599372 PONWUBMQESLCLP-UHFFFAOYSA-N 269.094 2.432 50 50 CEGA C[C@]12[C@H]3[C@@H]4C[C@H]5[C@H]3C(=O)[C@H]1[C@@H]5[C@H]4[C@H]2Br 245227184 DYJXAYHLFCEUAR-QWGMFZETSA-N 253.139 2.097 50 50 CEGA COC(=O)NN=C(C)/C=C\c1ccc2c(c1)OCO2 252677983 BZMGBWKEKBRAAP-WMKDOWENSA-N 262.265 2.160 50 50 CEGA O=C(CCl)NCc1cccc(COC[C@@H]2CCCO2)c1 1327858318 SIWWXXMTTVMLAN-AWEZNQCLSA-N 297.782 2.237 50 50 CEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccoc1 48986 IHZCJVANZPHHSU-GFCCVEGCSA-N 256.261 2.094 50 50 CEGA NNC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 400399 SOZQVWXAHJWDRW-HWOWSKLDSA-N 264.328 2.274 50 50 CEGA C[C@@H]1CC2(C[C@H]3COC(=O)C3=CC[C@@H]1Cl)OCCO2 383545636 AWYVDOXVKZEJND-SCVCMEIPSA-N 286.755 2.256 50 50 CEGA O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccs1 62906 NMUWNWFKRQPMAD-NEPJUHHUSA-N 286.356 2.313 50 50 CEGA O=C1[C@H](Br)CC[C@]2(CCCO2)[C@@]12CCCO2 71786584 YFESEYVUUXVHRB-YUSALJHKSA-N 289.169 2.211 50 50 CEGA COc1ccccc1C(=O)NNC(=O)Nc1ccccc1 5918828 QAKBQIFSAFCELW-UHFFFAOYSA-N 285.303 2.162 50 50 CEGA CCN(c1ccccc1)c1nc(N)nc(CCl)n1 20153890 FHSOICXXARHMRT-UHFFFAOYSA-N 263.732 2.351 50 50 CEGA ICCCI 95678990 AAAXMNYUNVCMCJ-UHFFFAOYSA-N 295.889 2.247 50 50 CEGA COC(=O)c1cc(CBr)cc(OC)c1 2507092 SZSHGWWDWSLOQS-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA in-vitro Nc1ccccc1C(=O)N/N=C/c1ccccc1F 299654 PPFAZQDKEAPAME-RQZCQDPDSA-N 257.268 2.172 50 50 CEGA CCOc1ccc([P@](=O)(O)c2ccccc2)cc1 2143535 CUVDJZZMXBHJIB-UHFFFAOYSA-N 262.245 2.307 50 50 CEGA COc1ccc(CCN=C=O)cc1Br 2509899 RHXRLCFBTLXTSW-UHFFFAOYSA-N 256.099 2.336 50 50 CEGA C[C@H](O)[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O 216471843 FKVVEFNZVTXWFS-DCAQKATOSA-N 274.433 2.321 50 50 CEGA O=S(=O)(c1ccc(N=C=S)cc1)N1CCCC1 19737291 BVDSWHZMJJHNAD-UHFFFAOYSA-N 268.363 2.205 50 50 CEGA COC(=O)[C@H](Br)c1ccccc1OC 34255012 UBXWFYGCGHBNAP-SECBINFHSA-N 259.099 2.304 50 50 CEGA COC(=O)c1c(CBr)cccc1[N+](=O)[O-] 2599121 SJJJFLXTGHEZJB-UHFFFAOYSA-N 274.070 2.276 50 50 CEGA Cc1cc2c(c(=O)o1)[C@@H](Cc1ccccc1)C(C#N)=C(N)O2 93878 PLHAHOKYJUCUBH-LBPRGKRZSA-N 294.310 2.361 50 50 CEGA C[C@@H]1CN(c2ccc(NC(=O)CCl)cc2)C[C@@H](C)O1 4054390 RULGFODZFMPBIT-GHMZBOCLSA-N 282.771 2.478 50 50 CEGA O=C(NN=Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 254135629 RMHSVTCXLRMIRJ-UHFFFAOYSA-N 285.259 2.064 50 50 CEGA Cc1noc([C@@H](C)N(C)C(=O)C(C)(C)CCl)n1 1875283760 DVXMAGMCHAHTNS-SSDOTTSWSA-N 259.737 2.162 50 50 CEGA C[C@H]1CCc2ccccc2N1C(=O)CCNC(=O)CCl 1875374968 MBIYLXLVNXTLFM-NSHDSACASA-N 294.782 2.099 50 50 CEGA N#CC1=C(N)SC(N)=C(C#N)C1[C@H]1CC=CCC1 290545 IPZCDWLMVIKJAK-QMMMGPOBSA-N 258.350 2.093 50 50 CEGA CCc1n[nH]c2c1[C@@H](Cc1ccccc1)C(C#N)=C(N)O2 8580002 CJCPBFSGUZXKSI-NSHDSACASA-N 280.331 2.385 50 50 CEGA COC(=O)NNc1ccc(Br)c(C)c1 261507982 OOSVTWZEXZSHNO-UHFFFAOYSA-N 259.103 2.440 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccccc2O)c1 175226 JWPIYEFIKVJWRU-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(O)cc1 243857 UVUWKXOFHYWIQX-LICLKQGHSA-N 284.315 2.230 50 50 CEGA CC(/C=N/NC(=O)c1cc(C)n[nH]1)=C\c1ccco1 232584 YQKCCEZGSMDPKK-LOEGBLIASA-N 258.281 2.130 50 50 CEGA Cc1ccsc1/C=N/NC(=O)CCc1c(C)n[nH]c1C 13114162 FQQMFUWJDFZQCX-OVCLIPMQSA-N 290.392 2.479 50 50 CEGA C[C@@H](C(=O)N/N=C/c1cccs1)n1nnc2ccccc21 124515 SHMOLESMOWRDRK-CNOAHFENSA-N 299.359 2.204 50 50 CEGA C/C(=N\NC(=O)c1ccccc1)c1cccc(N)c1 12362528 JPQKOFRBXDBPEW-GZTJUZNOSA-N 253.305 2.423 50 50 CEGA CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)C(C#N)=C(N)O1 52571 SZSMLDQVZQESLF-CYBMUJFWSA-N 288.303 2.313 50 50 CEGA C[C@H](Br)C(=O)Nc1ccccc1C(=O)O 22018648 VGMGYDXXIPRSOI-LURJTMIESA-N 272.098 2.107 50 50 CEGA CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](C)Cl)cc21 1875364003 HDRTWOZKDDTFTB-SECBINFHSA-N 295.770 2.344 50 50 CEGA C[C@H](Cl)C(=O)N1C[C@@H]2CN(C)[C@H](c3ccccc3)[C@H]2C1 1875364561 VQTZZUPOUPUOHM-CYUUQNCZSA-N 292.810 2.375 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@@]23CCCC[C@]32CCCO[C@@H]12 257355627 BTHDCVWRZZVAES-RMHJXYRFSA-N 288.343 2.228 50 50 CEGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccoc1 242414 CNYRCBDCFWWROR-SDBXPKJASA-N 270.288 2.340 50 50 CEGA CC1(C)OCC(C)(C(=O)NNc2ccc(F)cc2)CO1 272068388 DXGTXFYRLAEMLL-UHFFFAOYSA-N 282.315 2.058 50 50 CEGA Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 281037 MLGOCMBZRRORBW-ZDUSSCGKSA-N 298.273 2.306 50 50 CEGA O=C(O)CCC(=O)NN=C(c1ccccc1)c1ccccc1 2566682 YSYBYFDICQTHBF-UHFFFAOYSA-N 296.326 2.420 50 50 CEGA CCc1[nH]nc2c1[C@@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 4955959 GHCODECNBOUKAA-CABZTGNLSA-N 270.336 2.498 50 50 CEGA CCCOc1ccc(/C=N/NC(=O)CC#N)cc1OCC 5010392 UNYYLQNHCYCPPB-GZTJUZNOSA-N 289.335 2.238 50 50 CEGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1cccc(O)c1 19879325 ZMXRITVJVRDVHO-LICLKQGHSA-N 298.346 2.148 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C 1875364402 MCPZWQNHDKOLBM-DYEKYZERSA-N 295.814 2.036 50 50 CEGA O=C(N/N=C/c1ccc[nH]1)[C@@H]1C[C@@H]1c1ccccc1 4145004 FVEWTLALAOXCBQ-DPOBWDHUSA-N 253.305 2.269 50 50 CEGA O=C(N/N=C/c1cccnc1)[C@H]1C[C@H]1c1ccccc1 4348984 YFGOGDHLFDCVHJ-GWZPGNJDSA-N 265.316 2.335 50 50 CEGA Cc1cc2c(c(=O)o1)[C@@H](c1ccsc1)C(C#N)=C(N)O2 58324 GVXTZRBILJDTHV-NSHDSACASA-N 286.312 2.228 50 50 CEGA CCc1n[nH]c(C(=O)N/N=C/c2cccs2)c1C 5314286 KVSHIWDJAVSSDU-NTUHNPAUSA-N 262.338 2.106 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccs1 75855 HFJIHLGXKJKPBA-LBPRGKRZSA-N 260.318 2.419 50 50 CEGA CC(C)(C)c1ccc(COc2cccc(B(O)O)c2)cc1 197900809 VVAMKIHTHYBXQU-UHFFFAOYSA-N 284.164 2.243 50 50 CEGA N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(N)=S 377589 PKYOOERRQQOZEN-XFSBKJJWSA-N 266.709 2.262 50 50 CEGA Cc1ccccc1OCC(=O)NNC(=O)Nc1ccccc1 130143 UZCXPSXBULOEKW-UHFFFAOYSA-N 299.330 2.227 50 50 CEGA C[C@@H](CC1CCCC1)C(=O)NNc1ncnc2nc[nH]c12 170644330 ODAOJNJDNNBYGU-VIFPVBQESA-N 288.355 2.012 50 50 CEGA Cc1ccc(NC(=O)C(=O)NN=C2CCCC2)cc1C 4611376 DVWIZGFPXUWPLS-UHFFFAOYSA-N 273.336 2.288 50 50 CEGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC)cc1 289217 RDKJHHDFDWYBFP-JLHYYAGUSA-N 257.337 2.186 50 50 CEGA CCOC(=O)[C@@H](Br)[C@@H](C)Br 1736009 YPZLAXFGOUPECS-UHNVWZDZSA-N 273.952 2.096 50 50 CEGA O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 32609426 WJYWHIJATSLZSH-DHDCSXOGSA-N 285.259 2.064 50 50 CEGA O=C(CN(C(=O)CCl)c1ccccc1)N1CCCCC1 1341524524 VHMFXBUWTJOBRJ-UHFFFAOYSA-N 294.782 2.271 50 50 CEGA CC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4260614 BQNZRRUYRUUBKV-OQLLNIDSSA-N 288.328 2.437 50 50 CEGA Cc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 156537 PTVBBIMKLOMGSY-UHFFFAOYSA-N 296.219 2.463 50 50 CEGA in-vitro N#C/C(=C\c1ccc(-c2ccc3c(c2)COC3=O)o1)C(N)=O 441314 FNHDMWMYASSJBB-UXBLZVDNSA-N 294.266 2.009 50 50 CEGA O=C(CCl)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 2325890221 LISOTFLBELJLOR-AWEZNQCLSA-N 293.729 2.262 50 50 CEGA C[C@H](Cl)C(=O)N1CC[C@H](n2ncc3ccccc32)C1 1875377612 ISLPUFFYLKSDAW-JQWIXIFHSA-N 277.755 2.437 50 50 CEGA C/C(=N\NC(=O)c1cccnc1)c1ccc(F)cc1 4989953 NBEIEAXFWBBXSK-LICLKQGHSA-N 257.268 2.375 50 50 CEGA COC(=O)c1cccc(C(=O)CBr)c1 34107947 QOUUCORIWWWPLU-UHFFFAOYSA-N 257.083 2.051 50 50 CEGA in-vitro O=C(NNC(=S)Nc1ccccc1)c1ccccc1 6095779 YFIKTVJZVZMIMY-UHFFFAOYSA-N 271.345 2.318 50 50 CEGA COc1ccc(OC)c(/C=N/NC(=O)c2ccco2)c1 227742 RJVXZVRFGXORQM-OQLLNIDSSA-N 274.276 2.061 50 50 CEGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CCCC3 254393107 PQOFCACDJUIWCA-WJWBUKISSA-N 256.301 2.235 50 50 CEGA O=C(Cc1cccs1)N/N=C/c1ccccc1O 554309 SAYRTRLWDKCLGL-NTEUORMPSA-N 260.318 2.147 50 50 CEGA C[C@@H](NC(=O)CCl)c1ccc(N2CCCOC2=O)cc1 1875377461 FAOYBCFWMZRGEW-SNVBAGLBSA-N 296.754 2.449 50 50 CEGA C[C@H](NC(=O)CCl)c1cc(F)ccc1N(C)C 1875368202 YPUWDKBKTYMKHI-QMMMGPOBSA-N 258.724 2.308 50 50 CEGA C[C@@H]1[C@H](O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 245245185 BJDCWCLMFKKGEE-VLYZADLOSA-N 284.352 2.187 50 50 CEGA N#CC1=C(N)SC(N)=C(C#N)C1C1CCCCC1 164291 RBAOYVGXTOUWKG-UHFFFAOYSA-N 260.366 2.317 50 50 CEGA C/C(=N\NC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1 4957071 WRLPDWDCEGBUHR-MHWRWJLKSA-N 299.286 2.454 50 50 CEGA CCCNS(=O)(=O)c1ccc(N=C=S)cc1 19737317 OXYHGHJZDGXDPM-UHFFFAOYSA-N 256.352 2.109 50 50 CEGA CN1CC[C@H](NC(=O)CCl)C[C@@H]1c1ccccc1 1875378738 JORJZGBHHQELBW-QWHCGFSZSA-N 266.772 2.177 50 50 CEGA COc1ccc(C[C@H](Br)C(=O)O)cc1 1667731 ISAPLOPEWUATKQ-VIFPVBQESA-N 259.099 2.086 50 50 CEGA CC(C)(C)OC(=O)N1CC(c2noc(CCl)n2)C1 725343539 YXOZYCDEXLJEJI-UHFFFAOYSA-N 273.720 2.143 50 50 CEGA O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)c1cccc(O)c1 5731053 ILUCLIQJAGIFQX-UHFFFAOYSA-N 299.261 2.267 50 50 CEGA O=C(CCl)Nc1ccc(-n2ccccc2=O)cc1F 1875375093 QURQWHGPMFMBRC-UHFFFAOYSA-N 280.686 2.154 50 50 CEGA N#CC(C#N)=C1C(=O)Nc2ccc(Br)cc21 286850 KPXMBBXEDXIEPC-UHFFFAOYSA-N 274.077 2.202 50 50 CEGA CC(C)(C)C(=O)NNC(=O)c1sccc1-n1cccc1 1394317 HSCQXYSDFGFCEL-UHFFFAOYSA-N 291.376 2.346 50 50 CEGA NC(=O)c1c(NC(=O)CCl)sc2c1CCCCC2 5494874 HACJHOLURLQFBI-UHFFFAOYSA-N 286.784 2.293 50 50 CEGA CCCc1cc(C(=O)NNC(=S)NCC(C)C)cs1 2731779 SDTUWMMAZSUMMA-UHFFFAOYSA-N 299.465 2.466 50 50 CEGA O=[N+]([O-])c1ccc(NCOCCl)c([N+](=O)[O-])c1 5571622 CADJALHCBJMSCS-UHFFFAOYSA-N 261.621 2.085 50 50 CEGA COc1ccc(NC(=O)[C@@H](C)Br)cc1OC 32919885 QELKSBIJCLTLSB-SSDOTTSWSA-N 288.141 2.426 50 50 CEGA O=C(N/N=C/c1ccc(F)cc1)c1n[nH]c2c1CCCC2 179289 GBHJJBVMADSHDW-RQZCQDPDSA-N 286.310 2.192 50 50 CEGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccco1 261404 MMUYTEBFEUGCDD-OVCLIPMQSA-N 278.695 2.462 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccccc2)c1OC 2894463 WOPCYLSTDWBKSZ-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA C[C@H](Cl)C(=O)N1CCCN2c3ccccc3C[C@H]2C1 1875377422 DKEUMDBPUMZPNA-AAEUAGOBSA-N 278.783 2.277 50 50 CEGA CCCC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1684278 SBVYGYGWGWKSIL-UHFFFAOYSA-N 254.198 2.209 50 50 CEGA O=C(N/N=C/[C@H]1CC=CCC1)c1ccc(O)cc1O 4989644 FQESQADCJXWSJK-CNOAHFENSA-N 260.293 2.170 50 50 CEGA CC1(C)COB(c2ccccc2CBr)OC1 169748066 KPXRRKYYMYMEKC-UHFFFAOYSA-N 282.974 2.350 50 50 CEGA in-vitro Cc1cc(N2CCSSCC2)ncc1[N+](=O)[O-] 1616045593 VMKCGPHNTOXEOQ-UHFFFAOYSA-N 271.367 2.500 50 50 CEGA CCSC1=C(C#N)C2(CCCC2)[C@@H](C#N)C(=O)N1 17042591 WDMKBCWWFHWATC-VIFPVBQESA-N 261.350 2.305 50 50 CEGA C[C@H](Cl)C(=O)NCCCc1ccnc(C(C)(C)C)n1 1875377349 CJBGLNNPIZQQQX-JTQLQIEISA-N 283.803 2.450 50 50 CEGA Cc1cc(O)ccc1CC(=O)NN(C)C(=O)OC(C)(C)C 1349942528 YVHNJUSIKPYULT-UHFFFAOYSA-N 294.351 2.141 50 50 CEGA O=C(NNC(=O)c1cccnc1)Nc1cccc(Cl)c1 347368 VEGQTSRQDLEXSJ-UHFFFAOYSA-N 290.710 2.202 50 50 CEGA CCc1n[nH]c2c1[C@@H](c1cccs1)C(C#N)=C(N)O2 8783490 DCIJTOOKRGTEAD-SNVBAGLBSA-N 272.333 2.252 50 50 CEGA O=C(C(Br)Br)C(F)(F)F 4254287 HEPPAPZASXFWTB-UHFFFAOYSA-N 269.842 2.234 50 50 CEGA in-vitro O=C(NNC(=O)c1ccccc1Cl)c1ccccc1 485155 RGVDCVBUPZZNAX-UHFFFAOYSA-N 274.707 2.415 50 50 CEGA COC(=O)c1c(NC(=O)CCl)sc2c1CCC2 3885296 NGXDJCBKQZVJSY-UHFFFAOYSA-N 273.741 2.201 50 50 CEGA COC(=O)N(C)NC(=O)Nc1ccc(Cl)cc1 253432045 ZPEMEDWJPQNMIB-UHFFFAOYSA-N 257.677 2.075 50 50 CEGA Cc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 233700 UOGBRXISMGKRBG-RQZCQDPDSA-N 286.360 2.027 50 50 CEGA O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)C1CC1 13519230 JSOZEJTVDBMXOY-UHFFFAOYSA-N 287.747 2.207 50 50 CEGA Cc1sc(/C=C(/C#N)C(N)=S)cc1[N+](=O)[O-] 2729543 XLVHRGNTUKLANO-KXFIGUGUSA-N 253.308 2.158 50 50 CEGA CC(C)c1ccc(OCC(=O)NNC(=O)C(C)(C)C)cc1 2885069 XZCZIADJNCSNRN-UHFFFAOYSA-N 292.379 2.382 50 50 CEGA C[C@@H](c1ccc(NC(=O)CCl)cc1)N1CCOCC1 1320466707 NHELIJMWONPKLM-NSHDSACASA-N 282.771 2.257 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1ccccc1 130708 AIIBNESYBYQXIS-LFIBNONCSA-N 254.289 2.459 50 50 CEGA Cc1ccc([C@](C)(CO)NC(=O)[C@@H](F)Cl)cc1C 2325898442 CLJQODSRAUJYLZ-YPMHNXCESA-N 273.735 2.162 50 50 CEGA CS(=O)(=O)c1csc(C(=O)Cl)c1Cl 2555848 XXPNDZHWWJGGSX-UHFFFAOYSA-N 259.135 2.184 50 50 CEGA COc1ccccc1NC(=O)CI 3210962 PIWHTFARUPDXHV-UHFFFAOYSA-N 291.088 2.069 50 50 CEGA C[C@@H](Cl)C(=O)NCc1ccccc1-c1cnn(C)c1 1875378006 TVFDUPCMWQVNBH-SNVBAGLBSA-N 277.755 2.331 50 50 CEGA C/C(=N\NC(=O)c1cc(-c2cccn2C)n[nH]1)c1ccco1 13388173 MXQZFYNTXASYFS-MHWRWJLKSA-N 297.318 2.162 50 50 CEGA CCOc1ccccc1NC(=O)C/C(C)=N/NC(=O)OC 5593141 ZJWJXWPGFDWNGX-MHWRWJLKSA-N 293.323 2.146 50 50 CEGA O=C(CCl)N[C@@H]1CCOc2c(F)ccc(F)c21 1875375160 SPPMUPRXIMEAHU-MRVPVSSYSA-N 261.655 2.143 50 50 CEGA COC1CCC(C(=O)OC(=O)C2CCC(OC)CC2)CC1 100541947 GJYVXNRHAZYRCS-UHFFFAOYSA-N 298.379 2.467 50 50 CEGA CC(C)(C)NC(=S)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 584906619 MHMAAXXGTZQWLF-DCAQKATOSA-N 283.441 2.107 50 50 CEGA O=C(Cc1cccs1)N/N=C/c1ccc([N+](=O)[O-])cc1 73214 MRVYOWRFOVSWHC-NTEUORMPSA-N 289.316 2.349 50 50 CEGA O=C(NNC(=O)c1ccncc1)Nc1cccc(Cl)c1 282729 PPLFIOIJMYOUDG-UHFFFAOYSA-N 290.710 2.202 50 50 CEGA O=C1[C@@H](Br)CC[C@@]2(CCCO2)[C@@]12CCCO2 34461521 YFESEYVUUXVHRB-ZMLRMANQSA-N 289.169 2.211 50 50 CEGA C=C(C)C[C@H](C)C(=O)NNC(=O)c1cccc(Cl)n1 585114247 PWRNRYZWTUYACY-VIFPVBQESA-N 281.743 2.098 50 50 CEGA O=C(COc1ccc(F)cc1)N/N=C/c1ccccc1 5005345 QRARIBTUJYRNNY-LICLKQGHSA-N 272.279 2.355 50 50 CEGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(O)cc1O 4426536 ZNSQKCGIRWNJBM-GIJQJNRQSA-N 295.298 2.343 50 50 CEGA C[C@@H](NNC(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1 214471498 RJCGGJOIRGUQKT-SECBINFHSA-N 280.324 2.475 50 50 CEGA in-vitro O=C(CCl)Nc1ccc(N2CCOCC2)c(Cl)c1 251117 JLZNAOAJNZLXGG-UHFFFAOYSA-N 289.162 2.354 50 50 CEGA N#CC(=C=N)/C=C(\C(=O)c1ccccc1)[n+]1ccccc1 334157340 WYHFVIIMCYREON-LFIBNONCSA-N 274.303 2.396 50 50 CEGA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H](F)Cl)C1 2325897881 LKNJEEJSKMLMLK-HBNTYKKESA-N 292.782 2.064 50 50 CEGA C[C@H](NC(=O)CI)c1ccccc1 2532613 FGQFQEPWENBEJW-QMMMGPOBSA-N 289.116 2.299 50 50 CEGA N#CC1=C(N)Oc2nc(=S)[nH]c(O)c2[C@@H]1c1ccccc1 2561688 TWELNYOUULSGKS-SECBINFHSA-N 298.327 2.063 50 50 CEGA N#CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 154550 PVVANSGUIINNPC-MKMNVTDBSA-N 256.092 2.357 50 50 CEGA O=C(NNc1cnccn1)[C@@H]1C[C@@H]1c1ccccc1Cl 114881435 ZJTYZPHQPKEHEX-GHMZBOCLSA-N 288.738 2.377 50 50 CEGA Cc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 437367 KVDGPHALCSOSDT-QAEAHILHSA-N 268.316 2.179 50 50 CEGA O=CC(Br)(Br)CBr 5112803 BEWGXCJZMNOBIQ-UHFFFAOYSA-N 294.768 2.066 50 50 CEGA in-vitro O=C(Cc1cccs1)NNC(=O)c1cccc(Cl)c1 436015 KMRCGNXDCCNDEO-UHFFFAOYSA-N 294.763 2.405 50 50 CEGA N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(N)=S 2859041 FOYLIQZRVOZZJP-POHAHGRESA-N 254.318 2.270 50 50 CEGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(F)cc1 228799 GBFVEGWUMGEXIQ-DJKKODMXSA-N 296.305 2.326 50 50 CEGA C[C@@H](Cl)C(=O)NCCCc1ccnc(C(C)(C)C)n1 1875377350 CJBGLNNPIZQQQX-SNVBAGLBSA-N 283.803 2.450 50 50 CEGA O=C(CCl)NCCc1nc2cc(F)ccc2s1 1875389750 HUXCYUDLVGJSSV-UHFFFAOYSA-N 272.732 2.333 50 50 CEGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN 4201754 FFMVOBJHZPFTGI-NSHDSACASA-N 256.305 2.111 50 50 CEGA Cc1cc2c(cc1C)CN(c1cccc(C(=O)NN)c1)C2 5052558 GWHAMANEYVTFJP-UHFFFAOYSA-N 281.359 2.427 50 50 CEGA C[C@H](Cl)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 1875380065 DDIPWBFMVYCVOU-QMMMGPOBSA-N 264.712 2.104 50 50 CEGA C[C@@H](Cl)C(=O)N1CC[C@H](CC#N)C(F)(F)CC1 1875370275 IQPVVRHXUYUDLN-BDAKNGLRSA-N 264.703 2.401 50 50 CEGA CN(C)c1cccc(C(=O)N/N=C/c2ccco2)c1 2777274 AJWLSKKVHFCJRA-XNTDXEJSSA-N 257.293 2.110 50 50 CEGA COc1cccc(/C=N/NC(=O)COc2ccccc2)c1 524085 HAICDFKLDAELON-GZTJUZNOSA-N 284.315 2.224 50 50 CEGA C[C@H]1CC(NC(=O)N2CCSSCC2)C[C@H](C)O1 1775992450 SNVQSENREIHWHS-UWVGGRQHSA-N 290.454 2.349 50 50 CEGA C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1)c1ccccc1 2899494 ZITPYHPEVWARBW-RNEAKCBISA-N 295.342 2.014 50 50 CEGA CC(=O)NN=C1c2ccccc2-c2nc3ccccc3nc21 252609321 HROLGBBVHCFHJO-UHFFFAOYSA-N 288.310 2.499 50 50 CEGA CSc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1 263814 CPJUNGNBCFWYRG-RIYZIHGNSA-N 274.349 2.204 50 50 CEGA COc1cccc(/C=N/NC(=O)Cc2cccs2)c1O 446770 LLUKDLVUKASECM-OQLLNIDSSA-N 290.344 2.155 50 50 CEGA O=C(NNc1ncccc1Cl)c1c[nH]c2nccc-2c1 1160807041 CCPDBLFBQCGRKL-UHFFFAOYSA-N 287.710 2.320 50 50 CEGA Cc1noc([C@H](NC(=O)[C@H](C)Cl)c2ccccc2)n1 1875364633 OZQKYUGYOXRPNA-GZMMTYOYSA-N 279.727 2.211 50 50 CEGA Cc1cc2c(c(=O)o1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 281040 FOSPDQAIXKYJOY-ZDUSSCGKSA-N 298.273 2.306 50 50 CEGA O=C(CN1CCCCCC1)N/N=C/c1ccccc1F 4990573 USJFJFQNMFBKMH-GZTJUZNOSA-N 277.343 2.152 50 50 CEGA C[C@H](Cl)C(=O)N[C@H](C)COCc1ccccc1 307411926 HTTSVYZTEWKOQX-MNOVXSKESA-N 255.745 2.335 50 50 CEGA O=S(=O)(c1ccccc1)[C@@H]1[C@H]2[C@H]3C[C@H]1[C@H](Cl)[C@@H]23 252428094 PTGDUGPVEWYOLE-QPHKQPEJSA-N 268.765 2.332 50 50 CEGA O=C(N/N=C/c1ccccc1Cl)c1cccnc1 66898 YJWAPOQYJZJMGO-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA N#CC(C#N)=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 5042878 MKQSSFXLKJIROK-UHFFFAOYSA-N 289.250 2.261 50 50 CEGA O=C(N/N=C/c1ccc(Br)o1)c1ccncc1 296265 BMIISPFLIUDFOV-VGOFMYFVSA-N 294.108 2.201 50 50 CEGA COC(=O)c1ccc(NNC(=O)OC(C)(C)C)cc1 220665090 MSVCCWUIXAUGGD-UHFFFAOYSA-N 266.297 2.325 50 50 CEGA C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 141771003 BJDCWCLMFKKGEE-UFTVCZMYSA-N 284.352 2.187 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccc(N)cc2)c(OC)c1 1738039 SGXHNPNFIRMAQJ-VCHYOVAHSA-N 299.330 2.050 50 50 CEGA CCCOc1ccccc1N1C(=O)C[C@H](Cl)C1=O 1782914 HAWGGBLTHSYADI-VIFPVBQESA-N 267.712 2.346 50 50 CEGA OB(O)c1ccc2c3ccccc3n(-c3ccccc3)c2c1 169748377 XSAOVBUSKVZIBE-UHFFFAOYSA-N 287.127 2.464 50 50 CEGA in-vitro Cc1cccc(O[C@H](C)C(=O)N/N=C/c2cccnc2)c1 137696 FTWXJARYIPHSNV-VBEHJTROSA-N 283.331 2.308 50 50 CEGA CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@H](Br)C2=O 3865734 MTHNSUMNUZOJER-PFZYVWIYSA-N 275.142 2.230 50 50 CEGA biogenic O=C(N/N=C/c1cccs1)c1cccc([N+](=O)[O-])c1 260312 NTYMGAJMFKSBGW-MDWZMJQESA-N 275.289 2.420 50 50 CEGA Cc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)C(N)=S 100108581 NFLSAWHDWNXEKT-VURMDHGXSA-N 262.294 2.009 50 50 CEGA O=C(CCl)N[C@H](c1nccs1)C(F)(F)F 1327857957 QGJVESJEOUZPHE-RXMQYKEDSA-N 258.652 2.102 50 50 CEGA CC1(C)OC(=O)O[C@]1(Br)CBr 84278 YFMPUHKTFAHTIQ-ZCFIWIBFSA-N 287.935 2.418 50 50 CEGA COC(=O)c1ccc(CBr)cc1OC 64034417 DCXFLSHDURQRML-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA in-vitro CC[C@](C)(NC(=O)CCl)c1nc(O)c2c(n1)CCCC2 1875374667 CAHMFLVGQSKPKS-AWEZNQCLSA-N 297.786 2.041 50 50 CEGA O=C(NC1CC1)c1cccc(-c2noc(CCl)n2)c1 34924934 BFURIOKWUKTPOE-UHFFFAOYSA-N 277.711 2.368 50 50 CEGA OB(O)c1cccc(OCc2c(Cl)cccc2Cl)c1 169922530 BQWIUYHNNMRVNM-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro C/C(=N\NC(=O)c1cccnc1)c1cc(C)oc1C 372644 QRJFXSZUTPZRDO-MHWRWJLKSA-N 257.293 2.445 50 50 CEGA CC(C)c1cc(C(=O)N/N=C/c2ccccc2O)[nH]n1 181540 UBBDCZQRPHZPPA-OVCLIPMQSA-N 272.308 2.003 50 50 CEGA Cc1[nH]nc2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 4565435 CCANERATVKOGKT-CQSZACIVSA-N 295.346 2.002 50 50 CEGA Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1)C(C#N)=C(N)O2 48898 YUBIPEJSAWGMBV-ZDUSSCGKSA-N 280.283 2.166 50 50 CEGA biogenic CCOC(=O)c1cnn2c(Cl)cc(CCl)nc12 1772716630 KMODULSOUXVNNF-UHFFFAOYSA-N 274.107 2.298 50 50 CEGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(O)cc1 242247 FBHGWPJDVFXYJV-HNNXBMFYSA-N 279.299 2.193 50 50 CEGA CC[C@@H](Br)C(=O)c1ccc(O)c(O)c1 170626094 LTEVPZBTSLGRSX-SSDOTTSWSA-N 259.099 2.454 50 50 CEGA CC(C)(C)OC(=O)N[C@@H]1CCC(=O)[C@@H](Br)C1 95630344 ORMQSOBDBIXCHD-SFYZADRCSA-N 292.173 2.396 50 50 CEGA in-vitro O=C(Nc1nc(CCCl)cs1)[C@H]1CCCO1 585124909 ZPPXRNDHJXWDKB-MRVPVSSYSA-N 260.746 2.042 50 50 CEGA O=S1(=O)C[C@H](Cl)[C@H](C(Cl)(Cl)Cl)C1 5224864 PXYHLYBTGRJRCO-DMTCNVIQSA-N 271.980 2.009 50 50 CEGA CCOC(=O)c1csc(CBr)n1 34615081 LHVYKGHESZRJJO-UHFFFAOYSA-N 250.117 2.215 50 50 CEGA C[C@@H](Cl)C(=O)N1CCCN2c3ccccc3C[C@H]2C1 1875377428 DKEUMDBPUMZPNA-YPMHNXCESA-N 278.783 2.277 50 50 CEGA C[C@H](C(=O)N/N=C/c1cccs1)n1nnc2ccccc21 124520 SHMOLESMOWRDRK-KXUVPBGPSA-N 299.359 2.204 50 50 CEGA O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccncc1 5714704 ZQARQFWERMPWER-GIJQJNRQSA-N 291.257 2.447 50 50 CEGA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNc1ccccc1)OC2=O 2882112 HBUHISLAFDATEA-CVEARBPZSA-N 288.347 2.252 50 50 CEGA O=C(CCl)N[C@@H](c1ccccc1)[C@H]1CCOC1 1875375096 RAXIJKLKKXAJOQ-AAEUAGOBSA-N 253.729 2.119 50 50 CEGA Cc1cc(C)c2c(=O)c(C=N/C(C#N)=C(\N)C#N)coc2c1 245240293 PVXMWMAARJXAHS-CYGUUUOSSA-N 292.298 2.046 50 50 CEGA COc1ccc(OC)c(/C=C2/C(=O)ON=C2CCl)c1 34926710 IJUJKEBWTAYBGH-UXBLZVDNSA-N 281.695 2.239 50 50 CEGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccccn1 227932 XMYMYMUOGAQZBT-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 4582616 PRSFEPRXXOXYKF-XFFZJAGNSA-N 261.277 2.174 50 50 CEGA biogenic,in-vitro CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)[C@H]1CCCO1 1875391307 TZNCHWVHTGMFQF-FZZYVWNHSA-N 262.353 2.260 50 50 CEGA BrCc1cccc(N2CCOCC2)c1 238007121 HLAQSTCAEQGBFD-UHFFFAOYSA-N 256.143 2.418 50 50 CEGA Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 296763 FUXMMBGEXQTCRJ-RIYZIHGNSA-N 273.248 2.260 50 50 CEGA COc1ccc(-c2nnc(CCl)o2)cc1OC 1425365 MGHSHFKWIHAXBS-UHFFFAOYSA-N 254.673 2.493 50 50 CEGA Cc1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 5730482 UXXJVBXDGPNWEC-SDXDJHTJSA-N 293.326 2.106 50 50 CEGA CC(C)c1nnc2ccc(NC(=O)[C@H](F)Cl)cn12 2325897664 CSYDFCZJPLCDEN-VIFPVBQESA-N 270.695 2.326 50 50 CEGA CSC1=C(C#N)[C@](C)(c2ccccc2)[C@@H](C#N)C(=O)N1 208395 JLKKGHXMXMBBIT-XHDPSFHLSA-N 283.356 2.312 50 50 CEGA Cc1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 4750992 JFWRRQPKLTVAAU-RIYZIHGNSA-N 273.248 2.260 50 50 CEGA O=C(CCl)NCc1nnc(-c2ccc(Cl)cc2)o1 1875364488 SGHQKIBXRPHQDX-UHFFFAOYSA-N 286.118 2.245 50 50 CEGA CCn1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(C)n1 1002546 VJDXDJHHSNGLJH-NLTVTKDGSA-N 296.374 2.465 50 50 CEGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccc(O)cc1 12362432 FQMZRLNAQOUWKU-LICLKQGHSA-N 298.346 2.148 50 50 CEGA Cc1ccc(OCC(=O)NNC(=O)c2ccccc2C)cc1 146456 FVPCILSCNFPGEV-UHFFFAOYSA-N 298.342 2.143 50 50 CEGA O=P(O)(O)CP(=O)(c1ccccc1)c1ccccc1 59821873 HZILBXWQCCVTKY-UHFFFAOYSA-N 296.199 2.136 50 50 CEGA CCCOc1ccccc1N1C(=O)C[C@@H](Cl)C1=O 100317750 HAWGGBLTHSYADI-SECBINFHSA-N 267.712 2.346 50 50 CEGA NNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1 2568593 SMJOTMLBYOJFMP-UHFFFAOYSA-N 284.674 2.255 50 50 CEGA CC(C)c1nn(C)cc1C(=O)NNc1ccc(F)cc1 298886874 WYQKYTRHQAHDCJ-UHFFFAOYSA-N 276.315 2.440 50 50 CEGA Cc1ccc(S(=O)(=O)NN/C(=C\C#N)C(C)(C)C)cc1 252505989 VUUIFYVTNPBZSE-LCYFTJDESA-N 293.392 2.232 50 50 CEGA CCc1ccc2occ(C(=O)NN(C)CCOC)c2c1 294157297 BPJXQHNOHBPOMB-UHFFFAOYSA-N 276.336 2.218 50 50 CEGA CC(C)(C)OC(=O)NCCCI 74938093 ORVXNBKOWDNMGB-UHFFFAOYSA-N 285.125 2.336 50 50 CEGA in-vitro CCc1nn(C)c(-c2nnc(CCl)o2)c1Cl 336244 PFOZFYLAKIDWMR-UHFFFAOYSA-N 261.112 2.425 50 50 CEGA N#CC1=C(N)SC(N)=C(C#N)C1[C@@H]1CC=CCC1 19640308 IPZCDWLMVIKJAK-MRVPVSSYSA-N 258.350 2.093 50 50 CEGA C[C@H](CCc1ccccc1)N1CCN(C(=O)CCl)CC1 1875387228 VPPOHECJIPUOJL-CQSZACIVSA-N 294.826 2.391 50 50 CEGA O=C(CCl)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 1319683091 VCGSGLCVPFNMPC-STQMWFEESA-N 285.746 2.479 50 50 CEGA C[C@H](Br)C(=O)Nc1ccc2c(c1)OCCO2 32919874 PXEQJYTWAJEKNX-ZETCQYMHSA-N 286.125 2.180 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1CCO[C@@H](c2cccnc2)C1 1875378288 YVCISZHFYZZODX-ZMLRMANQSA-N 268.744 2.045 50 50 CEGA O=C(CCl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 1775988365 IUZJQTJQLNOISK-LLVKDONJSA-N 263.728 2.465 50 50 CEGA COC(=O)N(C)NC(=O)Nc1ccccc1Cl 241693912 QITHAMBLDNBENU-UHFFFAOYSA-N 257.677 2.075 50 50 CEGA CCOc1ccc(/C(CC)=N/NC(=O)c2ccn[nH]2)cc1 5349939 PBFHCOPBGVECFK-QGOAFFKASA-N 286.335 2.353 50 50 CEGA Cc1nn2c(nc1=O)-c1ccccc1N[C@@H]2C(Cl)Cl 1775971640 XLADEMSXZIDVFC-NSHDSACASA-N 297.145 2.342 50 50 CEGA Cn1c(/C=N/NC(=O)c2ccccc2)nc2ccccc21 6456684 OHPKQUIUYBYMAZ-GZTJUZNOSA-N 278.315 2.337 50 50 CEGA COc1cccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)c1O 100712545 NUZMHIXADUJFSC-JIETVRIZSA-N 288.347 2.287 50 50 CEGA CC(C)(C)OC(=O)NNC(=O)c1cc(F)ccc1F 60781290 PAPCXRVVAHZZHH-UHFFFAOYSA-N 272.251 2.134 50 50 CEGA C[C@H](Cl)C(=O)N1CC[C@H](Cc2ccncc2)C1 1875377575 HOOKTBHZBZYOHA-CMPLNLGQSA-N 252.745 2.100 50 50 CEGA Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1C)C(C#N)=C(N)O2 43080 BTVXJAOGGSHFBN-AWEZNQCLSA-N 294.310 2.475 50 50 CEGA C[C@@H](Br)[C@@H](Br)/C=C/C(=O)O 4800344 CPTJDEYJAQERHL-ZRUBAPSRSA-N 271.936 2.174 50 50 CEGA CC(=O)O[C@@H](C)OC(=O)Oc1ccc([N+](=O)[O-])cc1 118381378 LUJRIWGEPQDLNV-MRVPVSSYSA-N 269.209 2.019 50 50 CEGA O=C(N/N=C/c1ccccc1F)c1n[nH]c2c1CCCC2 72896 AVQFAEHFNVHAIO-RQZCQDPDSA-N 286.310 2.192 50 50 CEGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1F 19204652 JIJZMMYXPAJDKB-UHFFFAOYSA-N 272.308 2.044 50 50 CEGA O=C(CCl)N(Cc1nc(O)c2sccc2n1)C1CC1 1875367891 WDPVJUXKYPITBO-UHFFFAOYSA-N 297.767 2.127 50 50 CEGA O=S1(=O)C[C@H](Cl)[C@@H](Sc2ccccc2)C1 3160685 OUQPIAKLCXWCJT-UWVGGRQHSA-N 262.783 2.183 50 50 CEGA in-vitro C[C@H](NC(=O)CCl)c1ccc(N2CCCOC2=O)cc1 1875377460 FAOYBCFWMZRGEW-JTQLQIEISA-N 296.754 2.449 50 50 CEGA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NN 2783102 OWEDDRSCDIRZKZ-UHFFFAOYSA-N 269.663 2.046 50 50 CEGA CCOC(=O)NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 157886730 FJQNMSHNLCTMGI-IJLUTSLNSA-N 268.357 2.370 50 50 CEGA C[C@H](Cl)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 1875364952 ZCIWFDASOICRJZ-VHSXEESVSA-N 293.754 2.465 50 50 CEGA CC(=O)Nc1ccc(OCCOCCCl)cc1 3161147 RUGNWQNPYXDNDN-UHFFFAOYSA-N 257.717 2.279 50 50 CEGA O=C(CN1CCCCCC1)N/N=C/c1ccc(F)cc1 4990403 BOIUJJLCGUUGIT-GZTJUZNOSA-N 277.343 2.152 50 50 CEGA CCCCCCCCCCCC(=O)NNS(C)(=O)=O 101018266 SEVCFWDUHSKUJH-UHFFFAOYSA-N 292.445 2.488 50 50 CEGA NNC(=O)c1ccc(COc2ccc(F)c(Cl)c2)o1 2568594 KQFBWTUMPJPLBQ-UHFFFAOYSA-N 284.674 2.255 50 50 CEGA O=C(O)[C@H]1C[C@H](Br)[C@H](Br)C1 238881550 ASIZXNHIJAQVTG-ZGQXEFDQSA-N 271.936 2.008 50 50 CEGA COC(=O)c1ccccc1NC(=O)[C@H](C)Br 284255 KDPIYMUBWRDQJA-ZETCQYMHSA-N 286.125 2.195 50 50 CEGA Cc1nc(N)sc1C(=O)N/N=C/C=C/c1ccccc1 12372706 UGWDJOBPIWSNGU-ZCPHBQKFSA-N 286.360 2.463 50 50 CEGA C[C@@H](Cl)C(=O)N[C@]1(C#N)CCc2ccccc2C1 1875303543 CTEPLVYNNANXEF-QMTHXVAHSA-N 262.740 2.181 50 50 CEGA COC(=O)c1cc(OC)cc(Cl)c1NC(=O)CCl 1875368275 FULRQUXLNWKIEG-UHFFFAOYSA-N 292.118 2.313 50 50 CEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1 48737 XTMWVOYEFHWDDN-CQSZACIVSA-N 284.315 2.331 50 50 CEGA Cc1ccc(CNC(=O)CBr)cc1C 41693467 OTVVRSPIZNGEIK-UHFFFAOYSA-N 256.143 2.315 50 50 CEGA O=C(CCCCl)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5427646 JRBKGRYBQKJNOA-UHFFFAOYSA-N 287.659 2.461 50 50 CEGA C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100036938 BJDCWCLMFKKGEE-CMDXXVQNSA-N 284.352 2.187 50 50 CEGA biogenic,world COC(=O)N[C@@H]1CC=C[C@@H](C)[C@H]1I 45069460 RQOHCIVUEPWJAJ-BWZBUEFSSA-N 295.120 2.111 50 50 CEGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@H]2C(c3ccccc3)=C[C@@H]12 254761263 WRNPURQQOXPFLD-HGWSZMDSSA-N 278.307 2.448 50 50 CEGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cccnc1 238917 UPFKJSSRICOBRM-VCHYOVAHSA-N 264.288 2.327 50 50 CEGA COc1cc(C(=O)N/N=C/c2cccs2)ccc1O 431959 UUUDJGGZMIOLJE-RIYZIHGNSA-N 276.317 2.226 50 50 CEGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(N)cc1 5125777 GPEOSYGGLVTOJB-VCHYOVAHSA-N 299.378 2.443 50 50 CEGA COc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1 57032 OGWHNVROOPHRTF-HNNXBMFYSA-N 284.315 2.366 50 50 CEGA C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccco1 4561878 GUZVKVHGHDBKQW-LFIBNONCSA-N 271.320 2.500 50 50 CEGA CC(C)(CNC(=O)CCl)c1ccc2c(c1)OCCO2 1324705765 ALERXGHOQBFDFI-UHFFFAOYSA-N 283.755 2.090 50 50 CEGA COC(=O)C[C@H](Br)C(=O)c1cccs1 1857796338 CRFILRFPMJGCPK-LURJTMIESA-N 277.139 2.257 50 50 CEGA COC(=O)N[C@@H](OCCCl)C(Cl)(Cl)Cl 2141148 NYLYNQKAIJUDOX-BYPYZUCNSA-N 284.954 2.294 50 50 CEGA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)[C@@H](C)Cl)C1 1875378292 YVPNPYWHVBRTCD-LDYMZIIASA-N 286.759 2.036 50 50 CEGA O=C(CCl)Nc1ccccc1I 3887567 RUANVLHAWBBUHD-UHFFFAOYSA-N 295.507 2.469 50 50 CEGA COc1ccc2ccccc2c1/C=N/NC(=O)CC#N 5671039 DJQHMUXDPIRIOF-LICLKQGHSA-N 267.288 2.212 50 50 CEGA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)CCl)C1 1875370003 VZMMITLXLRWEDE-UWVGGRQHSA-N 290.791 2.035 50 50 CEGA CC(=O)NNc1nc([C@@H]2COc3ccccc3O2)cs1 344029 VUYVAILUGCSLLE-LBPRGKRZSA-N 291.332 2.119 50 50 CEGA Cc1ccc(C)n1-c1ccc(C(=O)NN)c(Cl)c1 4062488 AEZXHAMRXAQZMG-UHFFFAOYSA-N 263.728 2.351 50 50 CEGA O=C(CBr)OCCCCBr 97972935 RGAGIIBZSLWICB-UHFFFAOYSA-N 273.952 2.100 50 50 CEGA O=C(N/N=C/c1ccc2c(c1)OCO2)C1CCCCC1 2513498 KGMWGNSRONWRDC-CXUHLZMHSA-N 274.320 2.446 50 50 CEGA Cc1cccc(Cl)c1NC=C(C#N)c1nn[nH]n1 2053536012 SUPNXAOKBSBCDB-UHFFFAOYSA-N 260.688 2.138 50 50 CEGA N#C/C(=C1/CCCCCN1)c1nnc2n1CCCCC2 100432416 RXLGCDURRDYQSF-OUKQBFOZSA-N 271.368 2.403 50 50 CEGA CCOC(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245673491 FJQNMSHNLCTMGI-SDDRHHMPSA-N 268.357 2.370 50 50 CEGA CCOC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1 20203503 MDHXPVGOYFJILO-QMMMGPOBSA-N 255.701 2.429 50 50 CEGA C[C@@H](O)CP(=O)(c1ccccc1)c1ccccc1 301424 RVABRNREAZALPB-CYBMUJFWSA-N 260.273 2.381 50 50 CEGA biogenic COc1ccc([C@@H]2Cn3nnc(CCl)c3CO2)cc1 263619448 YSBXTKKCIDBJRP-ZDUSSCGKSA-N 279.727 2.297 50 50 CEGA Cc1cccc(C(=O)NNC(=O)Nc2ccccc2)c1 146543 HDYQECYXWBDZGR-UHFFFAOYSA-N 269.304 2.462 50 50 CEGA COC(=O)/C(C#N)=C/c1ccc(Br)o1 2388898 SEPZDRVJHMRNPK-GQCTYLIASA-N 256.055 2.122 50 50 CEGA O=C(CCCC(=O)NN=C1CCCC1)NN=C1CCCC1 5621453 BASICDXNMZVWON-UHFFFAOYSA-N 292.383 2.249 50 50 CEGA CCc1ccccc1S(=O)(=O)NCCCSC#N 585115318 VYUYZXYQJBMKGH-UHFFFAOYSA-N 284.406 2.132 50 50 CEGA Cn1c(CCl)nc2cncc(Br)c21 35270616 MFEYYVPSWAZRET-UHFFFAOYSA-N 260.522 2.470 50 50 CEGA in-vitro NC(=O)N/N=C1\CCCC2(CCCC2)[C@]12CCCO2 43762985 ITTPCOVZYGNRRQ-LUYJPIOASA-N 265.357 2.304 50 50 CEGA C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCl 40546330 FLTTUALPAYCGKN-SSDOTTSWSA-N 254.673 2.111 50 50 CEGA O=C1c2ccccc2C(=O)N1CCCBr 1615393 VKJCJJYNVIYVQR-UHFFFAOYSA-N 268.110 2.068 50 50 CEGA in-vitro C[C@@H](Cl)C(=O)N(C)C1CCN(c2ccccn2)CC1 1875364812 UTZJJPUHWZUYLV-LLVKDONJSA-N 281.787 2.136 50 50 CEGA O=C(Cc1cccs1)N/N=C/c1ccc2c(c1)OCO2 43761358 SHPJIFZGCWBOCW-OVCLIPMQSA-N 288.328 2.170 50 50 CEGA CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 178969956 VUJHOOJMJGIWKU-MRUDHYOASA-N 292.379 2.284 50 50 CEGA O=C(N/N=C/C=C/c1ccco1)[C@H]1COc2ccccc2O1 1922822 HJBUGJXLXOMEPO-AHJCAMFQSA-N 298.298 2.235 50 50 CEGA CC[C@H](Br)C(=O)c1ccc(O)c(O)c1 170626095 LTEVPZBTSLGRSX-ZETCQYMHSA-N 259.099 2.454 50 50 CEGA O=C(N/N=C/c1cnc(Cl)s1)c1ccco1 1398687 OMYGIJHKJBUEAL-LFYBBSHMSA-N 255.686 2.153 50 50 CEGA O=C(N/N=C/c1c(F)cccc1Cl)c1cnccn1 45354 CLVNVCHNSGDXBO-UBKPWBPPSA-N 278.674 2.033 50 50 CEGA Cc1cccc(OCC(=O)N/N=C/c2ccccc2O)c1 260082 CDMRCJXVSSMHPC-LICLKQGHSA-N 284.315 2.230 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccs1 242960 KMJDEFIDCSNYPH-MDWZMJQESA-N 275.289 2.420 50 50 CEGA Cc1ccccc1C(=O)N/N=C/c1ccc(O)c(O)c1 297543 RFKQSZHVNBXMGC-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA COc1cc(/C=N/NC(=O)c2cc(C)oc2C)ccc1O 228335 LPHDMURBZINVQQ-LZYBPNLTSA-N 288.303 2.375 50 50 CEGA O=C(N/N=C/c1ccco1)c1ccc(Br)o1 368587 UMUXYTHSWRORAF-WUXMJOGZSA-N 283.081 2.399 50 50 CEGA NNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 16430402 WQBKUAYJWOXZTE-UHFFFAOYSA-N 260.337 2.351 50 50 CEGA CCc1n[nH]c2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2 9089154 TZUGUQOTYBGUNV-LBPRGKRZSA-N 266.304 2.190 50 50 CEGA CC1(C)COB(c2cccc(CBr)c2)OC1 169808021 YMHOSDXBNPFLLT-UHFFFAOYSA-N 282.974 2.350 50 50 CEGA C[C@H](Cl)C(=O)N1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C 1875375485 CHJAQVKWTPLFFD-MXWKQRLJSA-N 288.819 2.108 50 50 CEGA C[C@@H](NC(=O)CCl)[C@@H](O)c1cc(F)cc(Cl)c1 1875378499 FBJSQTNPEVGEOU-KSBSHMNSSA-N 280.126 2.256 50 50 CEGA Cc1ncc(CNC(=O)CCl)n1-c1ccccc1 1875364192 JNJGHRGHLAKDMP-UHFFFAOYSA-N 263.728 2.036 50 50 CEGA N#CC(C#N)=C(N)/C(C#N)=C\c1ccc2[nH]ccc2c1 2560270 CMMDWEJTQUTCKG-SDQBBNPISA-N 259.272 2.335 50 50 CEGA NNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 275178 WQLVMRVQMYSEQZ-UHFFFAOYSA-N 290.326 2.414 50 50 CEGA O=C(NNC(=O)c1cccs1)Nc1ccccc1 143240 VHPVACPJTROCHA-UHFFFAOYSA-N 261.306 2.215 50 50 CEGA C[C@H](NC(=O)CCl)[C@@H](C)Oc1ccccc1F 1875364764 SWIOCZLFYFGOBT-DTWKUNHWSA-N 259.708 2.337 50 50 CEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1F 47840 YSNQZZQVKXCHQI-CYBMUJFWSA-N 288.278 2.080 50 50 CEGA CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 198434 SJBNLYUGZCBRQL-SSDOTTSWSA-N 250.348 2.450 50 50 CEGA CCOC(=O)/C(C#N)=C1/CCC[C@@H](C(=O)OCC)C1 205119562 AOXDUXURUYRVDH-JPQYHBGPSA-N 265.309 2.123 50 50 CEGA COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1O 271263 BXWZRIKNRKYWIV-LICLKQGHSA-N 284.315 2.473 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)cc1 5687219 ROEXZUMSXAIJEX-CXUHLZMHSA-N 268.320 2.359 50 50 CEGA NNC(=O)CCCOc1ccc(Cl)cc1Cl 1957816 RDBMCLKAWBSLHK-UHFFFAOYSA-N 263.124 2.142 50 50 CEGA in-vitro Cc1cc2c(c(=O)o1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 281038 MLGOCMBZRRORBW-CYBMUJFWSA-N 298.273 2.306 50 50 CEGA COC(=O)C[C@H](NC(=O)CCl)c1cccc(C)c1C 1616016629 YMZLAQDEBCMFQJ-LBPRGKRZSA-N 283.755 2.263 50 50 CEGA Cc1ccc(O)c(/C=N/NC(=O)Cc2ccccc2)c1 298555 XSVFRXVJOIXMRP-GZTJUZNOSA-N 268.316 2.393 50 50 CEGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1cccs1 5494690 LUULOECDQXDNSE-XNTDXEJSSA-N 299.359 2.299 50 50 CEGA NNC(=O)c1cc(-c2cccc(-c3ccccc3)c2)n[nH]1 390030 QCANSGBRZLSWPD-UHFFFAOYSA-N 278.315 2.347 50 50 CEGA IC[C@@H]1CC2(CCOCC2)CO1 536959081 WZNBEHGZGXJKHT-QMMMGPOBSA-N 282.121 2.007 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 299247 DDLIPVBMLYZKFF-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA C[C@H](Cl)C(=O)N1CCC2(C1)Oc1ccccc1O2 1875377972 SJKGBEXQQBGGCS-VIFPVBQESA-N 267.712 2.014 50 50 CEGA Cc1nc(Nc2cccc(Cl)c2)sc1C(=O)NN 408468 OURIMIVZUZZUMI-UHFFFAOYSA-N 282.756 2.452 50 50 CEGA CC(=O)N/N=C(/c1ccccc1)[C@H](O)c1ccccc1 4964983 KCJTYKLQLRXRTM-BJYOTHFNSA-N 268.316 2.260 50 50 CEGA C[C@H](Br)C(=O)NCc1ccccc1F 41672466 ANDONSDYBHONQS-ZETCQYMHSA-N 260.106 2.225 50 50 CEGA COc1cc(C(=O)N/N=C/[C@@H]2CC=CCC2)ccc1O 431832 OBIPQSBRWXYPFA-HPUUJOOBSA-N 274.320 2.473 50 50 CEGA COc1ccc(-c2noc(CCl)n2)cc1OC 3399150 PROALHWGUKNCJY-UHFFFAOYSA-N 254.673 2.493 50 50 CEGA in-vitro C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 4579293 VZHLPPKLJUIYTC-YAJBTMAUSA-N 296.326 2.367 50 50 CEGA Cc1occc1C(=O)N/N=C/c1ccccc1C(=O)O 232411 DBDUGGXRESMHBA-OVCLIPMQSA-N 272.260 2.050 50 50 CEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 242780 QVEDXOJKSBOJFM-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA O=C(N/N=C/c1cccs1)[C@@H]1COc2ccccc2O1 291183 AECWPUFQBFMDJY-LIOBOASVSA-N 288.328 2.038 50 50 CEGA Cc1ccc(C(C)C)c(OCc2ccccc2B(O)O)c1 169903700 JDYAGWNUTBEZCI-UHFFFAOYSA-N 284.164 2.377 50 50 CEGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccoc1 242420 CNYRCBDCFWWROR-ISVAXAHUSA-N 270.288 2.340 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(O)cc1 284720 HCNGFGQYSKDZDJ-CQSZACIVSA-N 270.288 2.063 50 50 CEGA Cc1cc(C(=O)N/N=C/c2cccc(Cl)c2)[nH]n1 257525 GOJHDNZGOJILJM-VGOFMYFVSA-N 262.700 2.135 50 50 CEGA CCOc1ccccc1/C=N/NC(=O)c1cc(C2CC2)n[nH]1 8973319 FGUPASACJVTGMO-LICLKQGHSA-N 298.346 2.450 50 50 CEGA C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 4534940 NFLZHJAKOQYYRY-NTEUORMPSA-N 273.248 2.342 50 50 CEGA CCCc1n[nH]c2c1[C@H](c1ccc(C)o1)C(C#N)=C(N)O2 350880 IYZCKERSEVKWJB-LBPRGKRZSA-N 284.319 2.482 50 50 CEGA NNC(=O)c1ccc(Br)c2ccccc12 72333606 HOYNVQDNNFXOCC-UHFFFAOYSA-N 265.110 2.206 50 50 CEGA COc1ccc(OC)c([C@@H](O)CBr)c1 133809256 BFNGHCXVSDJCDR-VIFPVBQESA-N 261.115 2.132 50 50 CEGA CC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 459477 ZQFGKAWXVVPQLC-OVCLIPMQSA-N 272.260 2.115 50 50 CEGA COc1ccc(OCC(=O)N/N=C(\C)c2cccnc2)cc1 5164368 FWBCRUNUBBYWQE-LDADJPATSA-N 299.330 2.009 50 50 CEGA Cc1n[nH]c2c1[C@H]([C@H]1CC=CCC1)C(C#N)=C(N)O2 18122908 PYJNQKPKIDDXIF-JOYOIKCWSA-N 256.309 2.244 50 50 CEGA COC(=O)c1c(NC(=O)CCl)sc(C)c1C 2597267 NOTNYHFFCYKXLU-UHFFFAOYSA-N 261.730 2.329 50 50 CEGA O=C(N/N=C/c1ccncc1)[C@@H]1C[C@@H]1c1ccccc1 4992210 OKKNNFXWQVSBIM-GECXBNKPSA-N 265.316 2.335 50 50 CEGA C[C@@H](Cl)C(=O)N1CC(O)(c2cccc3ccccc23)C1 1875376013 LTDPPIQGMGVMPJ-LLVKDONJSA-N 289.762 2.497 50 50 CEGA Cc1ccc([C@@](C)(CO)NC(=O)[C@H](F)Cl)cc1C 2325898441 CLJQODSRAUJYLZ-WCQYABFASA-N 273.735 2.162 50 50 CEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1 55889 FQRGSTZTBGLMJL-MHWRWJLKSA-N 270.336 2.109 50 50 CEGA O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccco1 1960354 OEPSQXHEMMARFD-LFIBNONCSA-N 285.303 2.149 50 50 CEGA COC(=O)c1cc(/C=C(\C#N)c2nc(C)cc(C)n2)c[nH]1 584907846 UOEPXRGUQSOWLW-LFYBBSHMSA-N 282.303 2.272 50 50 CEGA Cn1nc(C(F)(F)F)c(COC(=O)CCl)c1Cl 3063686 RXHSJVVKVFFSIN-UHFFFAOYSA-N 291.056 2.374 50 50 CEGA C=CCn1cc(Cl)cc/c1=N\C=C(/C#N)C(=O)OCC 13739083 OQQCFXRDKVQVIJ-NQASNHIQSA-N 291.738 2.199 50 50 CEGA C[C@H](NC(=O)CCl)c1noc(Cc2ccccc2)n1 1323268447 ARRBQSFXULAFMQ-VIFPVBQESA-N 279.727 2.076 50 50 CEGA COc1cccc2cc(CNC(=O)CCl)oc12 1341509564 IBOPOAMRVTZUFJ-UHFFFAOYSA-N 253.685 2.296 50 50 CEGA NNC(=O)CSCc1ccc(Cl)cc1Cl 1397006 DJPHAVXHYJUQKF-UHFFFAOYSA-N 265.165 2.217 50 50 CEGA O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C3=C(CCCC3)[C@H]12 254619598 TWPKKKBHBOVJOC-CLHCLYRXSA-N 256.301 2.235 50 50 CEGA CC(=O)O[C@@H]1C=C[C@@H]2[C@H]3C=C[C@@H]([C@H]3Br)[C@@H]21 257357782 PVTYTHDWFCMPGF-ZKSVUJDCSA-N 269.138 2.300 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(F)cc1 259466 ZGEIOGOWYVXUQV-CXUHLZMHSA-N 258.252 2.295 50 50 CEGA C[C@@H](NC(=O)CCl)c1nccn1-c1ccccc1 1875378329 ZWNORHBLNAIZJF-SNVBAGLBSA-N 263.728 2.288 50 50 CEGA Cc1ccccc1OCC(=O)N/N=C/c1ccccc1O 243852 AALKCIUWSFSHQP-LICLKQGHSA-N 284.315 2.230 50 50 CEGA O=C1OC(=O)c2ccc(SCCO)c3cccc1c23 95582342 GYDPRPZFQLDRHM-UHFFFAOYSA-N 274.297 2.235 50 50 CEGA COc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1 250947 YYZBDRYELAUGQM-WOJGMQOQSA-N 279.299 2.331 50 50 CEGA O=C(CCc1ccccc1)NNC(=O)C1[C@@H]2CCCC[C@@H]12 285770 SFYGJQYIUTWGDL-ZIAGYGMSSA-N 286.375 2.203 50 50 CEGA COC(=O)NNC(=S)Nc1ccc(C)c(Cl)c1 611248 SBKLAGZNQJWBOD-UHFFFAOYSA-N 273.745 2.206 50 50 CEGA COc1ccc(C(=O)N/N=C/c2cccc(OC)c2)cc1 222559 FUPRCIAXZXCDEG-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA O=C(N/N=C/c1ccncc1)c1ccc(Br)o1 5005464 QVLZKSPVGSLMMT-VGOFMYFVSA-N 294.108 2.201 50 50 CEGA C[C@H](Cl)C(=O)N1Cc2ccccc2OC[C@@H]1C 1875366549 WILCGWROOIUANQ-UWVGGRQHSA-N 253.729 2.423 50 50 CEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1O 59552 ZXFQBOAVYVVMRS-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1 2379926 DWIJSLFNALYLAZ-CVUDBVLYSA-N 293.326 2.441 50 50 CEGA Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)o1 43641 RNTJLPACTSSXQQ-ZDUSSCGKSA-N 270.288 2.403 50 50 CEGA OB(O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 169955203 SIWUQLYUFGJITE-UHFFFAOYSA-N 298.025 2.057 50 50 CEGA N#CC(C#N)=C1CCCN1CC(=O)c1ccccc1 287072 KHOZKONQZIMBFH-UHFFFAOYSA-N 251.289 2.266 50 50 CEGA C[C@@H](Br)C(=O)NCc1ccc(F)cc1F 235059243 UFDMHWSJQIVNOG-ZCFIWIBFSA-N 278.096 2.364 50 50 CEGA C[C@@H](Cl)C(=O)N1CCO[C@H](CCc2ccccc2)C1 1875378033 ULJJTUJOIVWXEW-TZMCWYRMSA-N 281.783 2.474 50 50 CEGA O=C(CCl)N[C@H]1c2ccccc2CC[C@H]1N1CCCC1 1875367744 JJWXIYOBONFCFR-ZBFHGGJFSA-N 292.810 2.493 50 50 CEGA CC(C)CN(C(=O)CCl)c1cnn(-c2ccccn2)c1 1875374138 BVWJIFKEQONNQQ-UHFFFAOYSA-N 292.770 2.495 50 50 CEGA Cc1ccc(CNC(=O)[C@H](C)Br)cc1 32920015 OVSCNJPOWMWPND-VIFPVBQESA-N 256.143 2.395 50 50 CEGA CCOC(=O)/C(C#N)=C/c1ccc(OC)cc1OC 160762 NEYPVTGUZSVTET-YRNVUSSQSA-N 261.277 2.174 50 50 CEGA Cc1cccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c1 18158953 XXPNSCMRNIXTBK-UHFFFAOYSA-N 279.299 2.081 50 50 CEGA C[C@H](Cl)C(=O)N1C[C@@H]2CN(C)[C@@H](c3ccccc3)[C@H]2C1 1875364564 VQTZZUPOUPUOHM-MXAVVETBSA-N 292.810 2.375 50 50 CEGA COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CCl)CCC2 1875374748 DBJDAVCFMKYMOA-LBPRGKRZSA-N 295.766 2.248 50 50 CEGA [C-]#[N+][C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 100167370 JNMQDAODIJHZRX-VIFPVBQESA-N 255.314 2.348 50 50 CEGA C[C@H](NC(=O)CCl)c1ccc(NC(=O)C2CC2)cc1 1341510015 XMDNTHVDKLTKEX-VIFPVBQESA-N 280.755 2.451 50 50 CEGA COC(=O)C[C@H](c1cccc(F)c1)N(C)C(=O)CCl 1535641112 DGJWLGBLQJFKIM-LLVKDONJSA-N 287.718 2.127 50 50 CEGA O=C(CCl)Nc1nnc(Cc2ccccc2)s1 16480998 YTFXFKSBFYYVLV-UHFFFAOYSA-N 267.741 2.306 50 50 CEGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 48876 JYVSBGRSWBOVMQ-ZDUSSCGKSA-N 298.273 2.306 50 50 CEGA C/C(=N\NC(=O)c1ccoc1C)c1ccc(O)cc1 232427 PYZKYFVTWWQKAF-OQLLNIDSSA-N 258.277 2.448 50 50 CEGA O=C(N/N=C/c1ccc(Cl)cc1)c1cn2ccncc2n1 43761215 RECRAYMOTMYAMH-REZTVBANSA-N 299.721 2.147 50 50 CEGA O=C(N=c1cc(C(F)(F)F)[nH][nH]1)[C@@H]1CCCSS1 1875387920 FIWUQAFQAPQFMW-YFKPBYRVSA-N 297.327 2.333 50 50 CEGA N#C/C(=C\c1cccc(C(=O)O)c1)C(=O)Nc1nccs1 491014714 YLFWNOFSNRLBAJ-YRNVUSSQSA-N 299.311 2.387 50 50 CEGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccco1 293441 BFLOUWWCZJGLNU-SDBXPKJASA-N 270.288 2.340 50 50 CEGA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)OC2=O 105684810 LJBOGCBCOTTWLX-UHFFFAOYSA-N 297.222 2.136 50 50 CEGA CCS(=O)(=O)Nc1cccc(CBr)c1 137116246 IGMDHWZVPFAZPC-UHFFFAOYSA-N 278.171 2.343 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1 1741186 OXDPIJOVGNEYBT-LICLKQGHSA-N 269.304 2.041 50 50 CEGA CCc1n[nH]c2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 6197588 AMQRHIKFTHTJTE-CYBMUJFWSA-N 296.330 2.199 50 50 CEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccsc1 60617 MCAIKLLCSPREDM-GFCCVEGCSA-N 290.344 2.393 50 50 CEGA COc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c1 9233160 XMAQTSWXAMXSRX-LICLKQGHSA-N 298.346 2.061 50 50 CEGA O=C(NNc1nccnc1Cl)[C@H]1C[C@@H]1c1ccccc1 114895477 FUZVPERALXZKLU-MNOVXSKESA-N 288.738 2.377 50 50 CEGA Cc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 291040 ZAYBOHZHQUPBKZ-HKJBKDEOSA-N 296.326 2.285 50 50 CEGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc[nH]1 38854 UESVKACFLFPBGT-ZDUSSCGKSA-N 283.331 2.466 50 50 CEGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(F)cc1 263051 VXCTYLBFNPFNDQ-CAOOACKPSA-N 286.262 2.318 50 50 CEGA C[C@H](Cl)C(=O)NCCN1CC(C)(C)Oc2ccccc21 1875380073 DJLJPEMSDZWQLB-NSHDSACASA-N 296.798 2.408 50 50 CEGA C[C@@H](Cl)C(=O)Nc1ccc([C@H]2CCC(=O)N2)cc1 1875368089 PBAKGJDSUIEARP-LDYMZIIASA-N 266.728 2.204 50 50 CEGA Cc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1 497934 YTNPZVVKEBEBAS-UHFFFAOYSA-N 269.304 2.462 50 50 CEGA O=C(Cc1ccccc1)NNC(=O)Nc1ccc(F)cc1 2167125 FYXBIPPVKMGAFE-UHFFFAOYSA-N 287.294 2.221 50 50 CEGA [O-][n+]1c(CBr)cccc1CBr 3132816 WVGIEJWFUDGIMQ-UHFFFAOYSA-N 280.947 2.110 50 50 CEGA C[C@@H](Br)C(=O)NCc1ccccc1F 41672469 ANDONSDYBHONQS-SSDOTTSWSA-N 260.106 2.225 50 50 CEGA CCOC(=O)/C(C#N)=C/c1cccc(OC)c1OC 160764 ROKZGGFXDOZPCY-DHZHZOJOSA-N 261.277 2.174 50 50 CEGA O=C(N/N=C/c1ccc(F)cc1)[C@H](O)c1ccccc1 437445 ONGLCRGDLRCTNU-NGWPFTMJSA-N 272.279 2.009 50 50 CEGA CCOc1c(/C=C(\C#N)C(N)=O)c2ccccc2n1CC 448075 XSLQSGUJFLECFF-PKNBQFBNSA-N 283.331 2.452 50 50 CEGA COc1cccc([C@H]2CC(=O)NC(SC)=C2C#N)c1 4011363 LSXPCXXYWVXMCA-LLVKDONJSA-N 274.345 2.397 50 50 CEGA C[C@@H](Cl)C(=O)N1Cc2ccccc2[C@H](n2cccn2)C1 1875364429 QRDHSZCVIVFNFY-BXUZGUMPSA-N 289.766 2.442 50 50 CEGA O=C1OC(=O)[C@]23CC=CC[C@@]12Cc1ccccc1C3 101046558 CWWVRQFXHCWZDC-HZPDHXFCSA-N 254.285 2.191 50 50 CEGA CCCNC(=O)c1ccc(NC(=O)CCl)cc1 13324388 JGMDVRLMEAJEGL-UHFFFAOYSA-N 254.717 2.004 50 50 CEGA CCC1CCC(=C(C#N)C(=O)N2CCOCC2)CC1 1459212 RTYBXFLBLLDNBK-UHFFFAOYSA-N 262.353 2.266 50 50 CEGA CC[C@H](Sc1ccccc1)C(=O)NN(C)C(=O)OC 286411995 PTROYEKCAYSKCT-NSHDSACASA-N 282.365 2.287 50 50 CEGA NNC(=O)c1cccc2c(Br)cccc12 45923291 GUNFWPBYWGACRX-UHFFFAOYSA-N 265.110 2.206 50 50 CEGA CC(C)(C)[Si](C)(C)OCCOCCOCCO 197163046 JDGGOIGZHUWNHX-UHFFFAOYSA-N 264.438 2.034 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCCC2 17145720 NNLCDFFATOGNBL-LICLKQGHSA-N 298.346 2.061 50 50 CEGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2)c1 2543059 NYOBLRJXTMRSQX-VCHYOVAHSA-N 297.314 2.216 50 50 CEGA CN(C(=O)CCl)[C@H]1CCCN(c2ccccc2)C1 1319786088 XXILGFLBXWFAED-ZDUSSCGKSA-N 266.772 2.353 50 50 CEGA CC(C)(C)OC(=O)N1CCOC[C@H](CBr)C1 306386109 BVJXORMQZNDTOW-SECBINFHSA-N 294.189 2.265 50 50 CEGA O=C(CCl)Nc1cc(Br)ccc1O 3164384 UYQDXXWRKCCBIM-UHFFFAOYSA-N 264.506 2.332 50 50 CEGA O=C(CCl)NCCc1nsc2ccccc12 1347092537 ZIEIGKZLGQCALN-UHFFFAOYSA-N 254.742 2.194 50 50 CEGA O=C(COc1ccccc1Cl)N/N=C/c1ccco1 566483 XKRRUQOMIOJFKI-OVCLIPMQSA-N 278.695 2.462 50 50 CEGA COC(=O)/C(C#N)=C/c1c(OC)[nH]c2ccccc12 448270 OBORSXCIVANASK-VQHVLOKHSA-N 256.261 2.256 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 284756 ZAGROISUWIQWLU-CQSZACIVSA-N 299.286 2.265 50 50 CEGA Cc1noc([C@H](C)N(C)C(=O)C(C)(C)CCl)n1 1875283761 DVXMAGMCHAHTNS-ZETCQYMHSA-N 259.737 2.162 50 50 CEGA C[C@@H](Cl)C(=O)NC1(c2noc(C(F)F)n2)CCC1 1875377303 BNZSNWFEPSWBGW-RXMQYKEDSA-N 279.674 2.130 50 50 CEGA CC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@H]1C(=O)NN 601013400 UDWJBXCBJIAFCL-NXEZZACHSA-N 258.438 2.024 50 50 CEGA COc1ccccc1[PH](=O)c1ccccc1OC 118176777 WOVYHPRWFRQYII-UHFFFAOYSA-N 262.245 2.214 50 50 CEGA O=C(N/N=C\c1c(F)cccc1Cl)c1cnccn1 12428372 CLVNVCHNSGDXBO-FMQZQXMHSA-N 278.674 2.033 50 50 CEGA CC(C)CCOc1ccc(-c2ccc(B(O)O)cc2)cc1 169903692 DCGWYEOALFPYHU-UHFFFAOYSA-N 284.164 2.458 50 50 CEGA CC(C)[C@H](NC(=O)[C@@H](C)Cl)c1nc(C2CC2)no1 1875363971 GLWBHKOCEFFVGI-APPZFPTMSA-N 271.748 2.388 50 50 CEGA O=c1cc(CCl)nc(-c2cc(F)cc(F)c2)[nH]1 109597405 KDSSKNUVWFJMJR-UHFFFAOYSA-N 256.639 2.454 50 50 CEGA Cc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 438154 DPUVCYHYDOCXKP-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA CN(C)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1 381042 PWGGCQUHKBRDNY-UHFFFAOYSA-N 298.346 2.219 50 50 CEGA CCCCCCCC(=O)NNC(=O)c1ccco1 2865021 PQDKUYHGYBEOOX-UHFFFAOYSA-N 252.314 2.401 50 50 CEGA O=C(NNc1cnccn1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 114880401 RKGUUFPWVRINIA-NWDGAFQWSA-N 288.738 2.377 50 50 CEGA CC[C@H](Br)C(=O)NCCCN(CC)CC 32919663 SRHPKKPTXFUXHX-JTQLQIEISA-N 279.222 2.008 50 50 CEGA COC(=O)[C@H](CCCCl)P(=O)(OC)OC 71766294 PRKDNKLNOSMXAG-ZETCQYMHSA-N 258.638 2.033 50 50 CEGA COc1ccc2c(Cl)c(C(=O)NN)sc2c1 535228 SXPAHRIQWOIDAN-UHFFFAOYSA-N 256.714 2.167 50 50 CEGA in-vitro CC(C)(C)OC(=O)NC1(CNC(=O)CCl)CCCC1 1875369716 CFENFJYHCJYPQF-UHFFFAOYSA-N 290.791 2.179 50 50 CEGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccco1 293436 BFLOUWWCZJGLNU-AMIZOPFISA-N 270.288 2.340 50 50 CEGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccccc2)n[nH]1 435389 HZSIRXRTMJHOFB-WOJGMQOQSA-N 291.314 2.236 50 50 CEGA C/C(=N\NC(=O)c1ccn[nH]1)c1ccc(Cl)cc1 5349923 IVBPOUPMSUOAAZ-OVCLIPMQSA-N 262.700 2.217 50 50 CEGA O=C1CCc2cc(C(=O)CBr)ccc2N1 4241214 CCMOBQFBGOEGEN-UHFFFAOYSA-N 268.110 2.149 50 50 CEGA Cn1c(C(=O)NN)cc2cc(OCc3ccccc3)ccc21 335851 VSURLFHYDOFTKB-UHFFFAOYSA-N 295.342 2.361 50 50 CEGA C[C@H](Cl)C(=O)Nc1ccc2oc(N(C)C)nc2c1 1875363805 ANPAPCSVLBVCAW-ZETCQYMHSA-N 267.716 2.460 50 50 CEGA COc1cc(C(=O)N/N=C/[C@H]2CC=CCC2)ccc1O 4989811 OBIPQSBRWXYPFA-YAFRSCOQSA-N 274.320 2.473 50 50 CEGA C[C@@H](Cl)C(=O)N1CC2(CCOCC2)[C@H]1C1CC1 1875375964 KUVISLRKBNBALY-MWLCHTKSSA-N 257.761 2.031 50 50 CEGA COc1ccc2c(c1)OCCN(C(=O)[C@H](C)Cl)C2 1875375406 BJAAGKJCIWWSLV-VIFPVBQESA-N 269.728 2.044 50 50 CEGA COc1ccc(O)c(/C=N/NC(=O)c2ccc(F)cc2)c1 263025 PIPWFQWHYGYCBH-RQZCQDPDSA-N 288.278 2.304 50 50 CEGA C[C@H]1CC2=C(C(=O)O1)[C@@H](c1cccs1)C(C#N)=C(N)O2 48739 QIGADDJGKRISIF-WRWORJQWSA-N 288.328 2.145 50 50 CEGA O=C(N/N=C/c1ccccc1O)c1ccc2[nH]cnc2c1 546898 MIQDNZXIYQWCGA-QGMBQPNBSA-N 280.287 2.032 50 50 CEGA COc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 381298 YOJDLNXKMKZHNY-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA COc1ccccc1CC(=O)NNC(=O)c1ccccc1C 299666 HDGYZXPXFAOAMM-UHFFFAOYSA-N 298.342 2.007 50 50 CEGA COC(=O)[C@@H](Br)Cc1ccccc1F 49848615 MUXHTOBTEJLBJW-QMMMGPOBSA-N 261.090 2.305 50 50 CEGA in-vitro COc1ccc([C@H]2Cn3nnc(CCl)c3CO2)cc1 263619447 YSBXTKKCIDBJRP-CYBMUJFWSA-N 279.727 2.297 50 50 CEGA CN1CC[C@H](NC(=O)CCl)C[C@H]1c1ccccc1 1875378742 JORJZGBHHQELBW-STQMWFEESA-N 266.772 2.177 50 50 CEGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 43077 AIVRDDXFJPHMMT-CQSZACIVSA-N 294.310 2.475 50 50 CEGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1O 130763 SUYNYZZSBOCBER-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA biogenic O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccs1 253341 NZOQSAGPGVKKEP-MDWZMJQESA-N 275.289 2.420 50 50 CEGA CCOC(=O)[C@@H](Br)C(=O)c1ccccc1 2047991 LYOCLQBWSNCBBN-VIFPVBQESA-N 271.110 2.196 50 50 CEGA in-vitro O=C(CCl)NC1CN(c2ccc(C(F)(F)F)cc2)C1 1875367779 MGQFQSQSFGNFBK-UHFFFAOYSA-N 292.688 2.249 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 1875364230 JXQOVUAXKDYONW-SRVKXCTJSA-N 266.772 2.397 50 50 CEGA O=C(CCc1ccccc1)NNC(=O)c1ccc(F)cc1 143092 ADJOMGJDSHDDHQ-UHFFFAOYSA-N 286.306 2.220 50 50 CEGA O=C1CC2(C(=O)O1)c1ccccc1-c1ccccc12 22345678 JEPWGDZHUVIRCZ-UHFFFAOYSA-N 250.253 2.427 50 50 CEGA COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1OC 260171 WHIPLJNAQZZJNK-LDADJPATSA-N 298.342 2.397 50 50 CEGA biogenic O=C(N/N=C/c1ccc[nH]1)c1cc(-c2ccccc2)n[nH]1 435574 ONKWUXVPJOJTIV-LICLKQGHSA-N 279.303 2.169 50 50 CEGA CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@@H](F)Cl)C1 2325897880 LKNJEEJSKMLMLK-GARJFASQSA-N 292.782 2.064 50 50 CEGA O=[N+]([O-])c1ccc(CS(=O)(=O)C(Cl)Cl)cc1 101037768 WTOVCTJUMDAQDC-UHFFFAOYSA-N 284.120 2.271 50 50 CEGA Cc1ccc(NNC(=O)c2ccccc2C(=O)O)cc1 2569418 YKMQQOVHKSUCQG-UHFFFAOYSA-N 270.288 2.450 50 50 CEGA CCOC(=O)[C@@H](Br)C(C)(C)Br 85224363 FFXKUQBPFKDRPE-RXMQYKEDSA-N 287.979 2.487 50 50 CEGA COC(=O)C[C@@H](NC(=O)CCl)c1cccc(C)c1C 1616016624 YMZLAQDEBCMFQJ-GFCCVEGCSA-N 283.755 2.263 50 50 CEGA C[C@H](Cl)C(=O)N1Cc2ccccc2[C@H](n2cccn2)C1 1875364433 QRDHSZCVIVFNFY-SMDDNHRTSA-N 289.766 2.442 50 50 CEGA C[C@H](Cl)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 1875366512 QYPOTSYTRUGZID-UWVGGRQHSA-N 286.734 2.218 50 50 CEGA O=S1(=O)C[C@@H](Cl)[C@H](C(Cl)(Cl)Cl)C1 3076802 PXYHLYBTGRJRCO-QWWZWVQMSA-N 271.980 2.009 50 50 CEGA O=S1(=O)C[C@@H](Cl)[C@@H](C(Cl)(Cl)Cl)C1 3076804 PXYHLYBTGRJRCO-IUYQGCFVSA-N 271.980 2.009 50 50 CEGA CCO/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 2504485 GNNXZSXVDRKEBX-FMIVXFBMSA-N 251.307 2.170 50 50 CEGA C[C@H](Cl)C(=O)NCc1nc2cc(F)ccc2o1 1875377881 QEHJAXGWHZLCIW-LURJTMIESA-N 256.664 2.210 50 50 CEGA COc1ccc(OC)c(C(=O)CBr)c1 2003732 RGQNFYVSEWDUEI-UHFFFAOYSA-N 259.099 2.281 50 50 CEGA O=C(N/N=C/C=C/c1ccco1)[C@@H](O)c1ccccc1 4898652 QRCOLKJSUGVWGL-NIKLIXQTSA-N 270.288 2.128 50 50 CEGA O=C(NNc1ccc(Cl)cn1)c1ccc2cc[nH]c2n1 1647802742 KEZMIWNOTHCMLY-UHFFFAOYSA-N 287.710 2.368 50 50 CEGA CCc1ccc(/C=N/NC(=O)c2cccnc2)cc1 227607 VYUXVGHPIAPYTF-LICLKQGHSA-N 253.305 2.408 50 50 CEGA O=C(Cl)[C@@H](Br)CCBr 2386904 WYZLYWUZERABRL-VKHMYHEASA-N 264.344 2.300 50 50 CEGA in-vitro C[C@H](Cl)C(=O)NC[C@@H]1CCN(C)c2ccccc21 1875364829 VESYYNGSCBXKIE-QWRGUYRKSA-N 266.772 2.354 50 50 CEGA C/C(Cc1ccccc1)=N/NC(=O)c1cccnc1 12342923 IGWIFCGYEZYMIL-ATVHPVEESA-N 253.305 2.430 50 50 CEGA O=C(N/N=C/C=C/c1ccco1)[C@@H]1COc2ccccc2O1 4575598 HJBUGJXLXOMEPO-XGAZLFPCSA-N 298.298 2.235 50 50 CEGA Cc1ccc([C@](C)(CO)NC(=O)[C@H](F)Cl)cc1C 2325898439 CLJQODSRAUJYLZ-AAEUAGOBSA-N 273.735 2.162 50 50 CEGA O=C(CCl)Nc1ccc(-c2nnc3n2CCCC3)cc1 1336909957 JFDYKLMTUYQRCV-UHFFFAOYSA-N 290.754 2.459 50 50 CEGA O=C(N/N=C/c1ccccc1)c1ccc2[nH]cnc2c1 551032 IGPQHSFIKOXHTI-GIJQJNRQSA-N 264.288 2.327 50 50 CEGA CC(=O)Nc1ccc(S(=O)(=O)SCCCl)cc1 5495546 KTWFVGIWJUUJCK-UHFFFAOYSA-N 293.797 2.306 50 50 CEGA CCC(CC)CN(Cc1cnn(CC)n1)C(=O)CCl 1875374281 IJJBNQJZKUIFSQ-UHFFFAOYSA-N 286.807 2.302 50 50 CEGA COC(=O)c1cccc([N+](=O)[O-])c1CBr 1402301 FCGIVHSBEKGQMZ-UHFFFAOYSA-N 274.070 2.276 50 50 CEGA in-vitro O=[P@@](O)(c1ccccc1)c1nccn1-c1ccccc1 2275144 SVVFQPGGTMLYBX-UHFFFAOYSA-N 284.255 2.094 50 50 CEGA Cn1cccc1-c1cc(C(=O)N/N=C/c2cccs2)[nH]n1 232669 ZGOBEAWMXNHXQM-OQLLNIDSSA-N 299.359 2.241 50 50 CEGA CC(C)(C)C(=O)NNC(=O)c1ccccc1Cl 5726560 KHLGZTOVRGEPPQ-UHFFFAOYSA-N 254.717 2.147 50 50 CEGA C[C@@H](Cl)C(=O)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 1875368110 QGCCURBYDURKBP-UTUOFQBUSA-N 287.787 2.148 50 50 CEGA CCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2554995 NRPCSVNXHSEWLO-ZETCQYMHSA-N 281.399 2.366 50 50 CEGA O=C(NNc1cnccn1)[C@H]1C[C@@H]1c1c(F)cccc1F 116452342 GRWWASHPPFCTOU-IUCAKERBSA-N 290.273 2.002 50 50 CEGA N#C/C(=C\c1ccccn1)C(=O)NCc1ccccc1 164915774 XPVUCAVYRYRFBZ-GXDHUFHOSA-N 263.300 2.305 50 50 CEGA C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)Cl 1875366077 JPSQUOIDDKVSGD-WDEREUQCSA-N 266.772 2.481 50 50 CEGA C[C@H](Br)c1nc2ccccc2c(=O)[nH]1 3135775 HWCHMSTXWLBOFE-LURJTMIESA-N 253.099 2.379 50 50 CEGA Cc1ccc(S(=O)(=O)NC[Si](C)(C)CCl)cc1 2332241375 PJYNGDLGOJQOMR-UHFFFAOYSA-N 291.876 2.299 50 50 CEGA O=C(CCl)Nc1ccccc1COC(=O)CCl 100333193 AYZAZLKLYGPVKX-UHFFFAOYSA-N 276.119 2.146 50 50 CEGA in-vitro O=C(CCl)N1CCO[C@@H](CCc2ccccc2)C1 1875374832 GRBNSWZSBDCDMK-ZDUSSCGKSA-N 267.756 2.085 50 50 CEGA CCC(=O)N[C@@H](N=C=S)C(Cl)(Cl)Cl 3130735 BNBYHKKMDYWSJU-RXMQYKEDSA-N 261.561 2.312 50 50 CEGA Cc1cccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)c1O 100581983 JDCMIUISDVFKKT-UHFFFAOYSA-N 288.347 2.208 50 50 CEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1 2566432 YGUBIELLRXOKIH-GZTJUZNOSA-N 281.315 2.084 50 50 CEGA O=C(CCl)N[C@@H]1c2ccccc2CC[C@H]1N1CCCC1 1875367741 JJWXIYOBONFCFR-GDBMZVCRSA-N 292.810 2.493 50 50 CEGA C[C@H](Cl)C(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 1875377854 PFRWXZQJZOLCKP-QJPTWQEYSA-N 272.820 2.383 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1ccoc1C 251140 VRAZOWSNBNJAFB-OQLLNIDSSA-N 258.277 2.361 50 50 CEGA COc1ccc2nc(CBr)c(=O)oc2c1 2512426 XFCZURAACWKKIH-UHFFFAOYSA-N 270.082 2.092 50 50 CEGA in-vitro CCOC(=O)NCCC[Si](OCC)(OCC)OCC 169794647 MVUXVDIFQSGECB-UHFFFAOYSA-N 293.436 2.171 50 50 CEGA O=c1c2ccccc2nc2n1C[C@H](CBr)S2 96027534 VBAZLZHLUBBBFI-ZETCQYMHSA-N 297.177 2.266 50 50 CEGA Cc1scc(C(=O)N/N=C/c2cccn2C)c1C 2777246 NMCNDBLWXAOQBW-VGOFMYFVSA-N 261.350 2.467 50 50 CEGA Cc1cc(C)c2c(=O)c(C=N/C(C#N)=C(/N)C#N)coc2c1 245240294 PVXMWMAARJXAHS-IHOTWGIASA-N 292.298 2.046 50 50 CEGA N#CC(C#N)=C(N)/C(C#N)=C/c1ccc2[nH]ccc2c1 18128115 CMMDWEJTQUTCKG-WUXMJOGZSA-N 259.272 2.335 50 50 CEGA in-vitro CCSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1 8995986 UCUOILARXZVKQZ-LLVKDONJSA-N 274.345 2.484 50 50 CEGA O=C(N/N=C/c1cccs1)c1ccc2c(c1)OCO2 9109 YMOJHAPRGAZUPL-VGOFMYFVSA-N 274.301 2.241 50 50 CEGA O=C1[C@H]2C[C@H]3C[C@@H](C2)[C@@H](I)[C@H]1C3 230069937 PLSIVLGZSAHBHL-QMGXLNLGSA-N 276.117 2.425 50 50 CEGA CC(C)NS(=O)(=O)c1ccc(N=C=S)cc1 19737321 DXIADEYSDFNGJT-UHFFFAOYSA-N 256.352 2.108 50 50 CEGA CP(C)(=O)[C@@H]1CCCC[C@H]1NC(=O)CCl 1875375427 BRRBOCFIKUULQW-RKDXNWHRSA-N 251.694 2.275 50 50 CEGA O=C(CCl)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 1319683089 VCGSGLCVPFNMPC-OLZOCXBDSA-N 285.746 2.479 50 50 CEGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1ccco1 76416 DVVWNKCOJNHBPT-SSDOTTSWSA-N 296.208 2.240 50 50 CEGA CCCc1n[nH]c2c1[C@@H](c1ccc(C)o1)C(C#N)=C(N)O2 350881 IYZCKERSEVKWJB-GFCCVEGCSA-N 284.319 2.482 50 50 CEGA C[C@]12CCCC[C@@]13NC(Cl)=C(C#N)[C@@]2(C#N)C(=N)O3 144193739 HBGSCYFFSHQMSJ-AGIUHOORSA-N 276.727 2.358 50 50 CEGA CC(C)(C)OC(=O)N1CC2(C[C@H](Br)CO2)C1 91303236 BFMNMRHGKNUVSC-QMMMGPOBSA-N 292.173 2.160 50 50 CEGA in-vitro O=C(CC1(O)CCCCC1)N/N=C/c1cccs1 175812 DDQLSQRTALKBPT-GXDHUFHOSA-N 266.366 2.284 50 50 CEGA COC1(CNC(=O)CCl)CCC(C(F)F)CC1 1875367878 VQUCJQWKLGTPRZ-UHFFFAOYSA-N 269.719 2.182 50 50 CEGA O=C(N/N=C/c1ccncc1)[C@@H]1C[C@H]1c1ccccc1 4992209 OKKNNFXWQVSBIM-WCOBSMKMSA-N 265.316 2.335 50 50 CEGA COC(=O)C[C@@H](c1cccc(F)c1)N(C)C(=O)CCl 1535641113 DGJWLGBLQJFKIM-NSHDSACASA-N 287.718 2.127 50 50 CEGA CCN(Cc1ccccc1)C(=O)CBr 5708553 KXGJYOPQSRVUNC-UHFFFAOYSA-N 256.143 2.430 50 50 CEGA Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NN 408436 CZQPQXXABMQFTB-UHFFFAOYSA-N 282.756 2.452 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 502781 ZKQPPUSNOXLUBB-MHWRWJLKSA-N 299.286 2.367 50 50 CEGA Cc1cccc(NC(=O)NNC(=O)c2ccccc2)c1 9875908 HOVLKOZHAMXYOI-UHFFFAOYSA-N 269.304 2.462 50 50 CEGA CCn1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cn1 32690737 KWYIHWARNOBKIM-ZSOIEALJSA-N 287.344 2.241 50 50 CEGA Cc1cc(C)c2c(-n3cccc3)c(C(=O)NN)sc2n1 118446 KRMDVGPHGBZOLR-UHFFFAOYSA-N 286.360 2.307 50 50 CEGA NNC(=O)c1cc(Cl)cc(Cc2ccccc2)c1O 407506 LEQRBZXCBZAZMP-UHFFFAOYSA-N 276.723 2.240 50 50 CEGA CC(C)(C)OC(=O)N1CC(I)C1 15444442 XPDIKRMPZNLBAC-UHFFFAOYSA-N 283.109 2.041 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O 1875375955 KKKSNTCTACNYKK-KADJCCMJSA-N 289.784 2.065 50 50 CEGA O=C(CCc1ccccc1)N/N=C/c1cccnc1 438396 WUVRUPXIVJWAEJ-SFQUDFHCSA-N 253.305 2.165 50 50 CEGA CC[C@@H]1CCCN(C(C)(C)CNC(=O)CCl)C1 1336909651 CONUJZVJUWFSLD-LLVKDONJSA-N 260.809 2.242 50 50 CEGA O=C(N/N=C/c1ccco1)C(=O)Nc1ccccc1Cl 2383781 WLRXEBSYTBDKJL-OVCLIPMQSA-N 291.694 2.022 50 50 CEGA CCOc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 5296100 PBJAJAYZPZMSIB-LICLKQGHSA-N 298.346 2.061 50 50 CEGA CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)CCl)C1 1875370004 VZMMITLXLRWEDE-VHSXEESVSA-N 290.791 2.035 50 50 CEGA C[C@H](Cl)C(=O)N1CCc2c(F)cc(F)cc2C1 1875364213 JWENHAAEVMSOJO-ZETCQYMHSA-N 259.683 2.477 50 50 CEGA CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)Cl)[C@H]1Oc1ccccc1 1875380512 RCLDZGDVDRSATD-YXCITZCRSA-N 297.782 2.355 50 50 CEGA CC1(C)SSC(=O)[C@H]1NC(=O)c1ccccc1 281156 SYXLDBBQAZHBJL-SECBINFHSA-N 267.375 2.485 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 333636 MIOXIZADVTVQBO-AWEZNQCLSA-N 299.286 2.265 50 50 CEGA Cc1ccc(Cl)c(OCc2ccc(C(=O)NN)o2)c1 2568612 AIYDQLIAGGOQCT-UHFFFAOYSA-N 280.711 2.424 50 50 CEGA O=C(COc1ccccc1)OC(=O)COc1ccccc1 85772949 CCSBNBKMACZDGN-UHFFFAOYSA-N 286.283 2.214 50 50 CEGA in-vitro O=C(Cc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 301044 GVQASWDBENWUKD-LFIBNONCSA-N 283.287 2.288 50 50 CEGA NNC(=O)c1ccc(OCc2ccc(F)cc2)cc1 251052 ONEQJSPQISGZKW-UHFFFAOYSA-N 260.268 2.008 50 50 CEGA COC(=O)[C@H](Br)c1ccccc1C#N 1435927 JRQLPSBWLFECAY-SECBINFHSA-N 254.083 2.167 50 50 CEGA C[C@@H](Br)C(=O)Nc1ccccc1C(=O)O 22018644 VGMGYDXXIPRSOI-ZCFIWIBFSA-N 272.098 2.107 50 50 CEGA CC(C)(C)NS(=O)(=O)c1ccc(N=C=S)cc1 16991846 DZMLGYKFFPJYOK-UHFFFAOYSA-N 270.379 2.498 50 50 CEGA CN(C)NC(=O)Nc1ccc(Br)cc1 2167731 YHNZWDORMJIQLX-UHFFFAOYSA-N 258.119 2.047 50 50 CEGA CC1(C)CC(=O)C/C(=N/NC(=O)COc2ccccc2)C1 100004596 IGMSSJYCPXGUIO-ATVHPVEESA-N 288.347 2.317 50 50 CEGA CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1O 227811 GJCFNDKZCPRYPK-OQLLNIDSSA-N 274.276 2.148 50 50 CEGA COc1ccccc1[C@H](O)CN(CC(C)C)C(=O)CCl 1875382915 XCCHBWLFBZKHFZ-CYBMUJFWSA-N 299.798 2.452 50 50 CEGA Cc1ccccc1CN(CCO)C(=O)C(Cl)Cl 101173293 JCGPVCKUPLEZLO-UHFFFAOYSA-N 276.163 2.120 50 50 CEGA BrC[C@H]1CN(Cc2ccccc2)CCO1 19851657 HYDNAFJDFGPLGH-LBPRGKRZSA-N 270.170 2.282 50 50 CEGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccco2)n[nH]1 5402794 SOXGOGZFFPWUGF-MHWRWJLKSA-N 280.287 2.434 50 50 CEGA O=C1CC2(CCN(Cc3ccccc3)CC2)CC(=O)O1 261361114 NGUPQXIBJVBYNH-UHFFFAOYSA-N 273.332 2.132 50 50 CEGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)[C@H]1CCCO1 1875390335 RLDKKIKEIGXMRU-HHWBECCXSA-N 262.353 2.094 50 50 CEGA N#Cc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc1 100043908 OZAZYIZGOWUBOX-JXIDHOQNSA-N 267.332 2.445 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 333634 NFYZZXXTHXRSJI-CQSZACIVSA-N 299.286 2.265 50 50 CEGA C[C@H](O)[C@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)OC1=O 169829858 FKVVEFNZVTXWFS-HBNTYKKESA-N 274.433 2.321 50 50 CEGA C[C@@H](Cl)C(=O)NCCCN1CCc2ccccc2C1 1875363731 VZECBEKQUFMWQH-GFCCVEGCSA-N 280.799 2.178 50 50 CEGA CCn1c(O)nc2cc(C(=O)NC[C@H](C)Cl)ccc21 1875404739 SKAORDWXDIWFIS-QMMMGPOBSA-N 281.743 2.119 50 50 CEGA CC(C)(C)OC(=O)NNC(=O)OCc1ccccc1 12336406 SBXLAJWMWLOZET-UHFFFAOYSA-N 266.297 2.353 50 50 CEGA in-vitro CC(C)c1[nH]nc2c1[C@H](c1ccco1)C(C#N)=C(N)O2 5130080 ISFYSJSSJKNRSS-JTQLQIEISA-N 270.292 2.344 50 50 CEGA Cc1ccc(S(=O)(=O)NC(C#N)=C(Cl)Cl)cc1 3124289 KSBJEUQANVLDDM-UHFFFAOYSA-N 291.159 2.444 50 50 CEGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccco1 8567045 UKVGXSWHWMKYFJ-NTEUORMPSA-N 260.297 2.280 50 50 CEGA C/C(=N\NC(=O)COc1ccc(C)cc1)c1ccccn1 43763786 LAIGVNQAWPLBMV-QGOAFFKASA-N 283.331 2.309 50 50 CEGA CN(NC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccccc1 743291481 LNLDAWMHMITKMZ-OAHLLOKOSA-N 286.306 2.297 50 50 CEGA Cc1ccc(N2CCC[C@H]2CNC(=O)CCl)cc1 1875376180 NYLUXFVPKLVYSD-ZDUSSCGKSA-N 266.772 2.319 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C 1875364405 MCPZWQNHDKOLBM-SGMGOOAPSA-N 295.814 2.036 50 50 CEGA CC1(C)Cc2ccccc2C(NNC(=O)c2ccncc2)=N1 4322047 JJRPAPNYKNNKPN-UHFFFAOYSA-N 294.358 2.098 50 50 CEGA C[C@H](O)[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O 216471950 FKVVEFNZVTXWFS-GARJFASQSA-N 274.433 2.321 50 50 CEGA Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 218764 QIQBHJSDIYBFMI-VCHYOVAHSA-N 278.315 2.337 50 50 CEGA N#CCC(=O)NNC(=O)Nc1cccc(Cl)c1Cl 2143499 LYHADYRRWDQEHQ-UHFFFAOYSA-N 287.106 2.060 50 50 CEGA O=C(N/N=C/c1cccc(Cl)c1)c1ccccn1 227870 HZYZGOVNWYUOJG-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA O=C(CBr)Nc1ccc(F)cc1F 5816273 NFFFURNQKMXKPY-UHFFFAOYSA-N 250.042 2.298 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 6404160 UNTUZVVEMVWURQ-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA biogenic C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)[C@@H](C)Cl 1875375487 CHJAQVKWTPLFFD-OUAUKWLOSA-N 288.819 2.108 50 50 CEGA C[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 1875367127 LNYMVQIRVXBVHA-KYOSRNDESA-N 279.767 2.040 50 50 CEGA CCc1[nH]nc2c1C1(CCCCC1)C(C#N)=C(N)O2 65364282 IFCUSDQQNLQRNA-UHFFFAOYSA-N 258.325 2.260 50 50 CEGA O=C(Cl)COc1ccc([N+](=O)[O-])cc1Cl 40451330 UAVMMMWWTVRNGT-UHFFFAOYSA-N 250.037 2.392 50 50 CEGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)[C@@H]1C[C@H]1c1ccccc1 239128763 KTDSHTNRSBGIEE-ZVDSWSACSA-N 298.386 2.374 50 50 CEGA O=C(CCl)N[C@H]1c2ccccc2CC[C@@H]1N1CCCC1 1875367743 JJWXIYOBONFCFR-HOCLYGCPSA-N 292.810 2.493 50 50 CEGA O=C1OC(=O)[C@@H]2[C@H]3C=C[C@H]([C@@H]4C5=C(CCCC5)[C@H]43)[C@H]12 254619599 TWPKKKBHBOVJOC-JAYDOHCTSA-N 256.301 2.235 50 50 CEGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccs2)c1 3085704 DWZWQMPODCRAKX-OQLLNIDSSA-N 287.344 2.145 50 50 CEGA CCCc1n[nH]c2c1[C@H](c1ccco1)C(C#N)=C(N)O2 18122215 BYFVZHRYWSMPFR-NSHDSACASA-N 270.292 2.173 50 50 CEGA O=C(NNC(=S)Nc1ccccc1)c1cccc(F)c1 1062205 AVULBZKDTJZIGX-UHFFFAOYSA-N 289.335 2.457 50 50 CEGA C[C@@H](CCO)N(Cc1ccc(F)cc1)C(=O)CCl 1875382668 LLJIBLYURXKYFW-JTQLQIEISA-N 273.735 2.164 50 50 CEGA CC(C)(C)OC(=O)N1C[C@H](Br)C(=O)C1(C)C 1535641173 VLVXCJCGRMMFTC-ZETCQYMHSA-N 292.173 2.348 50 50 CEGA C/C(=C\C=N\NC(=O)c1cnccn1)c1ccccc1 5494340 CPVPIZAGTLLWHC-HYKQXZKSSA-N 266.304 2.296 50 50 CEGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccnc1 292697 PEJCOUXYLZBIGG-ZDUSSCGKSA-N 299.330 2.116 50 50 CEGA C[C@@H](Br)[C@](C)(Br)C(=O)O 5046366 WWYSKCWQDVVVKF-WUJLRWPWSA-N 259.925 2.008 50 50 CEGA Cc1ccccc1C(=O)N/N=C/c1ccc(O)cc1 301084 GPKOODYTUQXAST-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA CN1C(=O)C(C)(C)N(C(=O)CCl)c2ccccc21 1875375267 WSYZVNUIHBVJQX-UHFFFAOYSA-N 266.728 2.013 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1OC 228219 ATFFNXUXUOWKGD-CXUHLZMHSA-N 288.303 2.369 50 50 CEGA Cc1nn(C)c2cc(NC(=O)[C@H](C)Cl)ccc12 1875378246 YCQOEPNEKCIQDR-ZETCQYMHSA-N 251.717 2.448 50 50 CEGA CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1CO 169982825 IZGGSEPXQZJWBP-FVCCEPFGSA-N 286.444 2.321 50 50 CEGA Cc1[nH]nc2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 4565434 CCANERATVKOGKT-AWEZNQCLSA-N 295.346 2.002 50 50 CEGA COc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1 143027 JXNNRHKJZFQLGG-UHFFFAOYSA-N 284.315 2.078 50 50 CEGA biogenic C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 5016664 MPQLUIRDVHIZEX-MHWRWJLKSA-N 284.275 2.144 50 50 CEGA COCOC[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C 169836100 ZKECYFBKWSFTFC-WDEREUQCSA-N 262.422 2.396 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H](C)c1cnn(CC2CCC2)c1 1875367236 DSHGPOGBPWQOOA-UWVGGRQHSA-N 269.776 2.488 50 50 CEGA CN(C)N(C(=O)c1ccccc1)C(=O)c1ccccc1 1233470 CZEOKQWKDUVLGB-UHFFFAOYSA-N 268.316 2.446 50 50 CEGA CCc1n[nH]c2c1[C@H](c1cccs1)C(C#N)=C(N)O2 8783491 DCIJTOOKRGTEAD-JTQLQIEISA-N 272.333 2.252 50 50 CEGA C[C@@H]1[C@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 245245186 BJDCWCLMFKKGEE-ZBGYZUQOSA-N 284.352 2.187 50 50 CEGA NNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 296588 HLHZXLNSIDVXGS-UHFFFAOYSA-N 278.315 2.143 50 50 CEGA O=C(CCl)N[C@H]1CCO[C@H](c2cccs2)C1 1875374977 MNYGNGVJWANMNV-IUCAKERBSA-N 259.758 2.323 50 50 CEGA COc1cccc(/C=N/NC(=O)[C@@H]2CC23CCC3)c1O 62462 UBYOTPZEZOPVJQ-UJFYRASASA-N 274.320 2.041 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@@]23CCCC[C@]32CCCO[C@H]12 257355626 BTHDCVWRZZVAES-PHOOHRJXSA-N 288.343 2.228 50 50 CEGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1F 228774 KDMFJTCFMHDWIB-DJKKODMXSA-N 296.305 2.326 50 50 CEGA CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H](C)Cl)CC2 1875364066 BHQFHHYHDPQNBX-MWLCHTKSSA-N 269.776 2.065 50 50 CEGA C[C@H](Cl)C(=O)NC[C@@]1(C)OCCc2sccc21 1875377317 BWPJVHVCXNTAIH-QPUJVOFHSA-N 273.785 2.280 50 50 CEGA O=C(O)C[C@@H](Br)C(=O)c1ccc(F)cc1 2350119 CAZGDYWJCWEYTI-MRVPVSSYSA-N 275.073 2.247 50 50 CEGA COc1cc(C(=O)CBr)c(F)cc1O 36533682 RMETYQMWSZTJIT-UHFFFAOYSA-N 263.062 2.118 50 50 CEGA in-vitro CO[C@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245256958 UPQWOGYWJGJJFP-BXKVDMCESA-N 297.626 2.464 50 50 CEGA O=C(CCl)N1c2ccc(F)cc2NC(=O)C12CCC2 1875377820 OPCQYGZLDKMEGR-UHFFFAOYSA-N 282.702 2.272 50 50 CEGA C[C@@H]1COCCN1c1ccc(NC(=O)CCl)cc1 1116439236 OJEOAFZTUSMVQB-SNVBAGLBSA-N 268.744 2.089 50 50 CEGA O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1cccnc1 27840 MJHVHFOTXVASDS-YBFXNURJSA-N 291.314 2.236 50 50 CEGA O=C(N/N=C/c1ccncc1)[C@H]1C[C@H]1c1ccccc1 4992207 OKKNNFXWQVSBIM-GWZPGNJDSA-N 265.316 2.335 50 50 CEGA COC(=O)c1ccccc1NNC(=O)OC(C)(C)C 238408401 ADDSKAVALROMQK-UHFFFAOYSA-N 266.297 2.325 50 50 CEGA C[C@H]1CCC[C@@H]1C(=O)NCCSSCCC(=O)O 1875388436 AWHDLAWPBIQAPW-UWVGGRQHSA-N 291.438 2.395 50 50 CEGA COc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1 485165 RRSGVOOQVIMFLS-UHFFFAOYSA-N 285.303 2.162 50 50 CEGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1O 5126081 LVTJADJBYRFGNK-LICLKQGHSA-N 298.346 2.148 50 50 CEGA C[C@@H](NC(=O)CCl)c1noc(Cc2ccccc2)n1 1323268445 ARRBQSFXULAFMQ-SECBINFHSA-N 279.727 2.076 50 50 CEGA CC(C)n1cc2c(n1)[C@H](NC(=O)CCl)CCC2 1875367673 CRPQQTGEQMXAMW-SNVBAGLBSA-N 255.749 2.196 50 50 CEGA Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccccn2)cc1 93887 QRTJFNKOXXNQRB-FHXOWUIVSA-N 283.331 2.308 50 50 CEGA Cc1ccsc1/C=N\NC(=O)CCc1c(C)n[nH]c1C 5010153 FQQMFUWJDFZQCX-NVNXTCNLSA-N 290.392 2.479 50 50 CEGA O=C(CBr)c1cc(F)c(F)c([N+](=O)[O-])c1 263623326 GOBMZHIRYLKVRA-UHFFFAOYSA-N 280.024 2.451 50 50 CEGA CC(C)(C)OC(=O)N[C@@H]1CCC(=O)[C@H](Br)C1 95630342 ORMQSOBDBIXCHD-HTQZYQBOSA-N 292.173 2.396 50 50 CEGA in-vitro O=C(N/N=C/c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 437683 CUQBYPWDYZXLMI-CXUHLZMHSA-N 287.250 2.498 50 50 CEGA O=C(Cc1ccccc1)NNC(=S)Nc1ccccc1 4134506 XTVJYOVFEYXZQK-UHFFFAOYSA-N 285.372 2.247 50 50 CEGA COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1O 145727 OPUGEZNGSLOINF-KPKJPENVSA-N 298.298 2.217 50 50 CEGA Cc1cc(C)c2c(=O)c(C=NC(C#N)=C(N)C#N)coc2c1 2041576626 PVXMWMAARJXAHS-UHFFFAOYSA-N 292.298 2.046 50 50 CEGA O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 3141533 GHSPAUNVOVRGKH-CABCVRRESA-N 280.327 2.251 50 50 CEGA CC(C)(C)OC(=O)N1CC[C@@H](Br)C1 26897685 QJTKPXFJOXKUEY-SSDOTTSWSA-N 250.136 2.391 50 50 CEGA OB(O)c1ccccc1OCc1c(Cl)cccc1Cl 169922441 GMDQQBXOTWOKNM-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro Cc1cccc(C)c1NC(=O)CNC(=O)/C(C#N)=C\C1CC1 278529919 IGNXIFQNQMMZNH-ZSOIEALJSA-N 297.358 2.218 50 50 CEGA CCCc1ccc(-c2ccc(B(O)O)c(F)c2)cc1 169744805 XZGCBSYWWZAXRC-UHFFFAOYSA-N 258.101 2.125 50 50 CEGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C=C[C@@]1(CO)O2 216511872 AWNRVSXEACVHJX-MDZLAQPJSA-N 256.418 2.467 50 50 CEGA Cc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 437369 KVDGPHALCSOSDT-VUVCFOEZSA-N 268.316 2.179 50 50 CEGA CC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)c(Cl)c1 169747269 KPSMCFBSUNQTHV-UHFFFAOYSA-N 286.640 2.404 50 50 CEGA C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3C[C@H]3C)cc2C1 229359995 VJGVDBXQDVZXHC-KKZNHRDASA-N 292.404 2.290 50 50 CEGA CC(=O)N/N=C(/c1ccccc1)[C@@H](O)c1ccccc1 32678372 KCJTYKLQLRXRTM-UKJPIOLTSA-N 268.316 2.260 50 50 CEGA COC(=O)N[C@@H]1CC=C[C@H](C)[C@H]1I 45069463 RQOHCIVUEPWJAJ-XLPZGREQSA-N 295.120 2.111 50 50 CEGA COc1cccc(/C(C)=N/NC(=O)c2ccncc2)c1 5382147 BIYFMAUKXMFDRH-GZTJUZNOSA-N 269.304 2.244 50 50 CEGA O=C(CN1CCCCCC1)N/N=C/c1ccsc1 4990409 KHNVXPFERFCFGS-NTEUORMPSA-N 265.382 2.074 50 50 CEGA CC1(C)CN1P(=O)(N1CC1(C)C)N1CC1(C)C 95705624 MPSCILDWLMBJKC-UHFFFAOYSA-N 257.318 2.377 50 50 CEGA O=C(N/N=C/c1ccccc1Cl)c1ccccn1 227936 UQLGATAAIPGKPM-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc(F)c1 298702 GCBYMPDPSIVJEX-VGOFMYFVSA-N 277.211 2.091 50 50 CEGA COC(=O)c1ccc([N+](=O)[O-])cc1CBr 34464183 PGNKFDOPHHNVNF-UHFFFAOYSA-N 274.070 2.276 50 50 CEGA in-vitro C/C(=N\NC(=O)c1ccccc1)c1ccc(N)cc1 4947977 XZCQIXOKVNCVLO-GZTJUZNOSA-N 253.305 2.423 50 50 CEGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccco2)[nH]n1 6493455 UZURRTSLVCKNNG-RIYZIHGNSA-N 260.297 2.064 50 50 CEGA Cc1occc1C(=O)NNC(=S)Nc1ccccc1 8670160 NMHPVJXPRNWBMG-UHFFFAOYSA-N 275.333 2.219 50 50 CEGA CC(C)(C)NC(=O)[C@@H](Br)CBr 101364766 ZQDRNOFBWKJDPZ-YFKPBYRVSA-N 286.995 2.060 50 50 CEGA COc1ccc(C(=O)N/N=C(/C)c2ccc(N)cc2)cc1 246017 ZIQHKSGKHMULCI-WQRHYEAKSA-N 283.331 2.431 50 50 CEGA COc1cccc(/C=N/NC(=O)c2cccs2)c1O 259647 QXRFIIQCQBNONN-RIYZIHGNSA-N 276.317 2.226 50 50 CEGA CCN(Cc1cccc2c1OCO2)C(=O)[C@H](C)Cl 1875364548 NVAPEYKRTAXCEX-VIFPVBQESA-N 269.728 2.391 50 50 CEGA CCOc1ccccc1NC(=O)CBr 5714211 DZYMBHOWOKTSQN-UHFFFAOYSA-N 258.115 2.419 50 50 CEGA O=C(N/N=C/c1ccccc1)c1n[nH]c2c1CCCC2 2685796 LKFJNKJXMSTYLX-MHWRWJLKSA-N 268.320 2.052 50 50 CEGA CC(C)(C)C1CCC(O)(CNC(=O)CCl)CC1 1875363622 NROPGMILDBANLX-UHFFFAOYSA-N 261.793 2.309 50 50 CEGA CC1(C)CN(C(=O)CCl)[C@@H]1c1nccn1C1CC1 1875377925 RLLCYFQZUKBSEC-LLVKDONJSA-N 267.760 2.366 50 50 CEGA NNC(=O)c1n[nH]c2c1CCCCCCCCCC2 408294 MVNCAGATRLZCGQ-UHFFFAOYSA-N 264.373 2.233 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1 299293 AYMOOKUWXKXXMB-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA CCOC(=O)/C(=N\NC(=O)c1ccccc1)c1ccccc1 12730485 VYWPQZKFPQMGRV-SDXDJHTJSA-N 296.326 2.384 50 50 CEGA O=S(=O)(CCN=C=S)c1ccc(N=C=S)cc1 2532478 CEECMNUJNVNCBS-UHFFFAOYSA-N 284.387 2.297 50 50 CEGA CCCCNNC(=O)c1ccc(Br)cc1 2711885 BVQCFCYPFJOOAV-UHFFFAOYSA-N 271.158 2.484 50 50 CEGA in-vitro C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 4738136 CEUBXBDOWPUDCO-MHWRWJLKSA-N 299.286 2.454 50 50 CEGA C=CCc1ccc(/C=N/NC(=O)c2cccnc2)cc1O 5495031 NPPKXWCHYQEAAC-VCHYOVAHSA-N 281.315 2.280 50 50 CEGA C[C@H](NNC(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1 214471445 RJCGGJOIRGUQKT-VIFPVBQESA-N 280.324 2.475 50 50 CEGA in-vitro O=C(CCl)N1CCC2(CC1)OCCc1ccsc12 1875377526 GJXVURGNCBYJHX-UHFFFAOYSA-N 285.796 2.377 50 50 CEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1 48738 XTMWVOYEFHWDDN-AWEZNQCLSA-N 284.315 2.331 50 50 CEGA O=C(NN=Cc1ccc2c(c1)CCC2)[C@@H](O)c1ccccc1 4582370 OMWPCNMEBNUEHW-KRWDZBQOSA-N 294.354 2.359 50 50 CEGA COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1O 298675 CPNMCGMKTMDHLJ-RQZCQDPDSA-N 288.278 2.304 50 50 CEGA Cc1cccc(OCC(=O)NNC(=O)c2ccccc2C)c1 146457 ABPQIFJPBZAIEQ-UHFFFAOYSA-N 298.342 2.143 50 50 CEGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 4103239 TZQYCHJMTHOIRS-CYBMUJFWSA-N 266.304 2.245 50 50 CEGA CCCCCCCCOc1ccc(B(O)O)cc1 169745463 WABZSVITXOJJKH-UHFFFAOYSA-N 250.147 2.106 50 50 CEGA in-vitro Cn1/c(=N\NC(=O)Nc2ccccn2)sc2ccccc21 193834939 LHVBTJKPIQOYOP-NBVRZTHBSA-N 299.359 2.272 50 50 CEGA Cc1ccc(OCC(=O)N/N=C/c2ccco2)cc1 261296 FSCMJDCYOMRZON-OQLLNIDSSA-N 258.277 2.117 50 50 CEGA O=C(CCl)NCc1ccccc1Br 32920029 JKEFZEASFUJBSS-UHFFFAOYSA-N 262.534 2.304 50 50 CEGA N#C/C(=C\c1ccc(Cl)cc1Br)C(N)=O 178987058 SVYYZKQTAZMXNE-XVNBXDOJSA-N 285.528 2.495 50 50 CEGA OB(O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 169747872 BAXPPGSWZDNMOG-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA C[C@H](Cl)C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 1875363573 KBAPTXGSOMNYLV-ZETCQYMHSA-N 273.764 2.346 50 50 CEGA CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)CCl)C1 1875370002 VZMMITLXLRWEDE-NXEZZACHSA-N 290.791 2.035 50 50 CEGA CCOC(=O)/C(C#N)=C/c1cc(OC)ccc1OC 160768 OXWQNXNRBGZYJW-YRNVUSSQSA-N 261.277 2.174 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1O 262806 MCFKRQUELFKUCE-RQZCQDPDSA-N 288.278 2.304 50 50 CEGA COc1ccc(NC(=O)C(Cl)Cl)c([N+](=O)[O-])c1 4794293 NFTMXVYEQPOGCP-UHFFFAOYSA-N 279.079 2.346 50 50 CEGA O=[N+]([O-])c1ccc([C@H](Cl)S(=O)(=O)CCl)cc1 101042260 KQBFGJMIAMGKFP-MRVPVSSYSA-N 284.120 2.443 50 50 CEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1[C@@H]2CCCC[C@@H]12 100003893 IQBZYIOEAGTXDM-RTJZQMKSSA-N 287.319 2.481 50 50 CEGA COC(=O)[C@]1(CCl)CCCN1C(=O)OC(C)(C)C 214470047 WIMCDPQKIZDLLF-GFCCVEGCSA-N 277.748 2.168 50 50 CEGA CCSCc1ccc(C(=O)NNc2ccn(C)n2)cc1 170617788 KBUFLPRIWSALEB-UHFFFAOYSA-N 290.392 2.430 50 50 CEGA O=C(N/N=C/c1cccs1)c1ccc([N+](=O)[O-])cc1 298930 WFTRZIXOYPBPRK-MDWZMJQESA-N 275.289 2.420 50 50 CEGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccccc1 58770 WGEMWNLLRMXKMZ-OAHLLOKOSA-N 263.300 2.487 50 50 CEGA C[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1 301431 WDBPYVIWNRQTHC-GFCCVEGCSA-N 274.256 2.474 50 50 CEGA CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1 301466 CGYYMVYKABNOTN-UHFFFAOYSA-N 287.299 2.137 50 50 CEGA O=C(N/N=C/c1ccc2c(c1)OCO2)C1[C@H]2CCCC[C@H]12 100381844 DBZYKKHONRXLOZ-MXFINWHRSA-N 286.331 2.302 50 50 CEGA C[C@@H](Cl)C(=O)N1CCOc2cc(N(C)C)ccc21 1875364159 GIYKAVBZIMHKTR-SECBINFHSA-N 268.744 2.105 50 50 CEGA COC(=O)COc1cccc(CBr)c1 95627631 RHYQCZSFWWWVTB-UHFFFAOYSA-N 259.099 2.133 50 50 CEGA in-vitro BrCCOc1cccc2c1OCCO2 4284614 IHXJWHBJQFUJBZ-UHFFFAOYSA-N 259.099 2.232 50 50 CEGA in-vitro CC(/C=C/c1ccco1)=N\NC(=O)c1cccnc1 4997226 XBWPZJMPCZZRSM-NHTOTWMQSA-N 255.277 2.494 50 50 CEGA O=C(O)CCP(=O)(c1ccccc1)c1ccccc1 8572876 NMRMJFIEYIWRLJ-UHFFFAOYSA-N 274.256 2.475 50 50 CEGA Cc1ccc(OCC(=O)N/N=C/c2ccccc2O)cc1 261293 ZYTWEUHJYBYXIM-LICLKQGHSA-N 284.315 2.230 50 50 CEGA O=C(CBr)c1cc([N+](=O)[O-])cc(F)c1F 263622818 BDZRVYXLAWWZML-UHFFFAOYSA-N 280.024 2.451 50 50 CEGA C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43552825 BJDCWCLMFKKGEE-DEQRYCOSSA-N 284.352 2.187 50 50 CEGA in-vitro C[C@@H]1CCC/C(=N/NC(=O)c2cc(O)cc(O)c2)C1 288609 ZVPUOFDVRCMYIX-BJPKCCCNSA-N 262.309 2.394 50 50 CEGA CCN(CC)S(=O)(=O)c1ccc(N=C=S)cc1 19737315 DNXFWDVJEABOIH-UHFFFAOYSA-N 270.379 2.451 50 50 CEGA Cc1ccc([C@@](C)(CO)NC(=O)[C@@H](F)Cl)cc1C 2325898440 CLJQODSRAUJYLZ-DGCLKSJQSA-N 273.735 2.162 50 50 CEGA OB(O)c1cccc(COc2cccc3ccccc23)c1 170161558 SBVPZHOJJDYHHW-UHFFFAOYSA-N 278.116 2.099 50 50 CEGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)[C@H]1C[C@H]1c1ccccc1 239128762 KTDSHTNRSBGIEE-XFIYOXNOSA-N 298.386 2.374 50 50 CEGA O=C(CCl)N(CC(F)F)C[C@H]1CCC=CO1 1875377738 MJWORCSMFARNGR-MRVPVSSYSA-N 253.676 2.012 50 50 CEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccccc1 4229182 HWNDQTGOBAGQOF-WOJGMQOQSA-N 291.310 2.292 50 50 CEGA O=C(N/N=C/c1cccc(Cl)c1)c1n[nH]c2c1CCC2 5403225 SCVWFNJBNQAKLL-LZYBPNLTSA-N 288.738 2.316 50 50 CEGA O=C(CCl)NCc1nc2ccccc2n1C1CC1 1875365240 MMTHKRZQZNDPKD-UHFFFAOYSA-N 263.728 2.226 50 50 CEGA C/C(=N\NC(=O)c1cnccn1)c1ccc(Cl)cc1 13584130 QHUWHTLRWWNPGY-RQZCQDPDSA-N 274.711 2.284 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1 13635473 MVZZXPCPPJSJLY-DJKKODMXSA-N 294.314 2.335 50 50 CEGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccs1 62905 NMUWNWFKRQPMAD-NWDGAFQWSA-N 286.356 2.313 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1875378286 YVCISZHFYZZODX-MVWJERBFSA-N 268.744 2.045 50 50 CEGA CC[C@H](C#N)Oc1cccc(CNC(=O)CCl)c1 1253968644 RNSRXDXLOZGPSY-LLVKDONJSA-N 266.728 2.223 50 50 CEGA C=CCSC1=C(C#N)C2(CCCC2)[C@H](C#N)C(=O)N1 6780875 RGDSOSNQOHOLIK-SNVBAGLBSA-N 273.361 2.471 50 50 CEGA CC1=CC=C(C#N)C2=S=C(c3ccccc3)C(=O)N12 334158878 YGTBHTNNLOBLEC-UHFFFAOYSA-N 266.325 2.280 50 50 CEGA CC(C)[C@H](NC(=O)[C@H](C)Cl)c1nc(C2CC2)no1 1875363972 GLWBHKOCEFFVGI-CBAPKCEASA-N 271.748 2.388 50 50 CEGA O=C(NN=C1CCCCC1)c1n[nH]c2c1CCCC2 336181 ZVACJYFVXULUNX-UHFFFAOYSA-N 260.341 2.338 50 50 CEGA C[C@H](Cl)C(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C 1875377453 DXQJQVYDTNMDEP-UWVGGRQHSA-N 296.802 2.466 50 50 CEGA Cn1ccnc1C[C@H](NC(=O)CCl)c1ccccc1 1875364240 LJVSLBVSNDOEFU-LBPRGKRZSA-N 277.755 2.059 50 50 CEGA O=C(N/N=C/c1cc(Cl)ccc1O)c1ccccn1 257330 YTYGVCNNGZNJSH-LZYBPNLTSA-N 275.695 2.205 50 50 CEGA COc1ccc(C(=O)N/N=C/c2ccccc2)cc1 381292 XHYYXBAFSXMSKM-LFIBNONCSA-N 254.289 2.459 50 50 CEGA COc1ccccc1OCC(=O)N/N=C/c1ccccc1 260003 JQTXHEWVQPDUHD-GZTJUZNOSA-N 284.315 2.224 50 50 CEGA Cc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 502815 BYKGCGILNOJMSI-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA O=C(CBr)c1cc2ccccc2oc1=O 2566370 NTYOLVNSXVYRTJ-UHFFFAOYSA-N 267.078 2.371 50 50 CEGA biogenic,in-vitro COc1ccc(CNC(=O)[C@H](C)Br)cc1 6020103 PUWQCNGWBKXWCX-QMMMGPOBSA-N 272.142 2.095 50 50 CEGA O=C(CCl)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 1875367888 WAWUXSHJZVEVMN-SMDDNHRTSA-N 281.739 2.024 50 50 CEGA CC1CCN(C2CCC(NC(=O)CCl)CC2)CC1 1333570941 DITKBQLCWHOXCB-UHFFFAOYSA-N 272.820 2.385 50 50 CEGA C[C@H](Cl)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 1875364449 QRUMMQDMMCUOEI-ZJUUUORDSA-N 283.755 2.480 50 50 CEGA O=C1[C@@H](Br)C[C@H]2CO[C@H](c3ccccc3)N12 1565504605 UHAUKCUMZSWGEC-JBLDHEPKSA-N 282.137 2.080 50 50 CEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1 130741 YBEVPNAXTCGIAC-XNTDXEJSSA-N 269.260 2.359 50 50 CEGA NNC(=O)c1ccc(COc2ccc(F)cc2)cc1 2568635 NRYPUAABNIUKKW-UHFFFAOYSA-N 260.268 2.008 50 50 CEGA Cc1n[nH]c2c1[C@H](C1CCCCC1)C(C#N)=C(N)O2 6663733 PJOYQZXEFLKWFB-GFCCVEGCSA-N 258.325 2.468 50 50 CEGA COc1ccc(C[C@@H](Br)C(=O)O)cc1 4529027 ISAPLOPEWUATKQ-SECBINFHSA-N 259.099 2.086 50 50 CEGA Cc1ccc(CNC(=O)CCl)c(-n2cc(Cl)cn2)n1 1875377665 KMGOZACDUYVCQD-UHFFFAOYSA-N 299.161 2.084 50 50 CEGA O=C(CCl)N1CC(Cc2ccc(F)cc2F)C1 1875364585 OWQXNCCOHVFUKR-UHFFFAOYSA-N 259.683 2.205 50 50 CEGA Cc1cc(C)c(C(=O)NNC(=O)c2cccnc2)c(C)c1 4017724 CGBOSTIWCGFSPS-UHFFFAOYSA-N 283.331 2.082 50 50 CEGA OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1 169744731 JGAVTCVHDMOQTJ-UHFFFAOYSA-N 287.127 2.464 50 50 CEGA COC(=O)[C@H](Br)CCCCBr 3074863 BMSYCTAKENEKDW-ZCFIWIBFSA-N 287.979 2.488 50 50 CEGA Cc1ccn2c(C(=O)NNc3ccccc3)cnc2c1 153617635 LQBSIOYTKQKDTH-UHFFFAOYSA-N 266.304 2.400 50 50 CEGA Cc1cccc(C(=O)N/N=C/c2ccccc2O)c1 244864 FHGPTJCWDFRAEA-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H](F)Cl)C1 2325897878 LKNJEEJSKMLMLK-AXFHLTTASA-N 292.782 2.064 50 50 CEGA CN(C)c1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 1877716 BHJHJBVNUSBAPD-QGOAFFKASA-N 281.359 2.445 50 50 CEGA COc1ccc(/C=C2/C(=O)ON=C2CCl)c(OC)c1 34926709 CJDNRRRYSZDSNZ-BJMVGYQFSA-N 281.695 2.239 50 50 CEGA CC(C)(C)OC(=O)N1C[C@@H](Br)C(=O)C1(C)C 1535641172 VLVXCJCGRMMFTC-SSDOTTSWSA-N 292.173 2.348 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c1 13635453 OVMZYEZFWNIAQU-DJKKODMXSA-N 294.314 2.335 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)CCc1ccccc1 298817 BFHWGTMLVZHIPH-UHFFFAOYSA-N 282.343 2.389 50 50 CEGA C[C@@H](Cl)C(=O)NCc1cccc(C(=O)NC(C)(C)C)c1 1875363898 CWYRWPMKOPPYMQ-SNVBAGLBSA-N 296.798 2.458 50 50 CEGA CC(C)(C)OC(=O)N1CC(CBr)C1 44682142 PUKCUGDJEPVLPR-UHFFFAOYSA-N 250.136 2.248 50 50 CEGA in-vitro CSC1=C(C#N)C2(CCCCC2)[C@@H](C#N)C(=O)N1 9108662 IHTPWWVPPIKLKZ-VIFPVBQESA-N 261.350 2.305 50 50 CEGA C[C@H](CI)NC(=O)OC(C)(C)C 95643259 CUKVINMIOAQKNB-ZCFIWIBFSA-N 285.125 2.335 50 50 CEGA CCOc1ccccc1/C=N/NC(=O)Cc1cccn1C 72391 CNGDUNHKAALLLB-SFQUDFHCSA-N 285.347 2.117 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccccc2)c(OC)c1 130779 OLBWPRNKTUWNLU-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccoc2C)c(OC)c1 228201 XQAHLEHCCOOVHH-CXUHLZMHSA-N 288.303 2.369 50 50 CEGA COC(=O)CC[C@@H](NC(=O)CCl)c1ccccc1 1116433737 DRFSXPKHFYWBEF-LLVKDONJSA-N 269.728 2.036 50 50 CEGA CCN(C)c1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1 8568405 HWQXLGQASVYHTB-XYOKQWHBSA-N 292.346 2.384 50 50 CEGA CC[C@@H](Br)C(=O)Nc1ccccc1C(=O)O 61492997 OIJORTFODCVDBZ-MRVPVSSYSA-N 286.125 2.497 50 50 CEGA C[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)O 140317798 XVSPKVRBCPVKPR-BDAKNGLRSA-N 277.411 2.290 50 50 CEGA COC(=O)c1cccc(OC)c1CBr 2599126 HYLGKOGJOVGRNN-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA COc1cccc(CCN(C(=O)CCl)[C@@H]2CCOC2)c1 1875375585 FHGCDFJUIUIXNH-CYBMUJFWSA-N 297.782 2.094 50 50 CEGA O=C(CCl)N(CC(F)F)C[C@@H]1CCC=CO1 1875377739 MJWORCSMFARNGR-QMMMGPOBSA-N 253.676 2.012 50 50 CEGA CN1CCC(CNC(=O)CCl)(c2ccccc2)CC1 1329303633 MJPHTYYJKOWKEU-UHFFFAOYSA-N 280.799 2.005 50 50 CEGA Cc1noc(C2CCC(NC(=O)[C@@H](C)Cl)CC2)n1 1875364224 KITWLWNYZHUGSC-CUUXFQNZSA-N 271.748 2.148 50 50 CEGA O=C(NNc1ccccc1)n1nnc2ccccc21 5484261 DELMHRNFNQKXDN-UHFFFAOYSA-N 253.265 2.016 50 50 CEGA Cc1cc2c(c(=O)o1)[C@H](c1cccs1)C(C#N)=C(N)O2 196808 PJDTZFALUHHEAN-NSHDSACASA-N 286.312 2.228 50 50 CEGA CN(C)CP(=O)(CN(C)C)O[Si](C)(C)C 195816514 YMYCDKXRAQQKIL-UHFFFAOYSA-N 252.371 2.154 50 50 CEGA CC(C)(C)COB(O)c1ccccc1CBr 203948155 UBSMRVSDSPJXBM-UHFFFAOYSA-N 284.990 2.332 50 50 CEGA CCOC(=O)/C(C#N)=C\c1cc(OC)ccc1OC 4582650 OXWQNXNRBGZYJW-XFFZJAGNSA-N 261.277 2.174 50 50 CEGA Cc1[nH]nc2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 550764 PKNANNBHWJRMEK-JOYOIKCWSA-N 256.309 2.244 50 50 CEGA O=C(N/N=C/c1ccccc1F)c1ccccc1O 37267 CTTSDRHWBYEZLM-CXUHLZMHSA-N 258.252 2.295 50 50 CEGA COC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 116458 GVQGBRIDXQEKLS-UHFFFAOYSA-N 270.288 2.354 50 50 CEGA O=C(NNc1nccnc1Cl)[C@@H]1C[C@@H]1c1ccccc1 114895480 FUZVPERALXZKLU-GHMZBOCLSA-N 288.738 2.377 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)c1cccc(F)c1 10537242 HMLSBIMNJOJTST-UHFFFAOYSA-N 272.279 2.209 50 50 CEGA COC(=O)c1cc(OC)ccc1CBr 82046751 GQGYGEVWBRHRTD-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA N#C/C(=C/C1CC1)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 294649516 MTXMGTGHKSOGFO-YRBHFNIASA-N 290.750 2.350 50 50 CEGA CC(C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5042269 CRSKJIOHWZNSOM-UHFFFAOYSA-N 264.369 2.006 50 50 CEGA C/C(=N\NC(=O)c1cccc(Cl)c1)c1cnccn1 1875258746 QMPLJBDERZVKDO-RQZCQDPDSA-N 274.711 2.284 50 50 CEGA CN(C)C1CCC(NC(=O)C(C)(C)CCl)CC1 715543422 NJRDEUPXRVHHSN-UHFFFAOYSA-N 260.809 2.240 50 50 CEGA Cc1ccccc1/C=N/NC(=O)c1ccccc1O 47888 XWBHXKAQCOGFJC-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA O=C(N/N=C\c1cccs1)c1n[nH]c2c1CCCC2 4946990 HFDGCAGADZJKHB-ZSOIEALJSA-N 274.349 2.114 50 50 CEGA CO[C@]1(C(F)(F)F)C[C@H]2C[C@@H]1C[C@@H]2NC(=O)[C@@H](C)Cl 1875374340 LGSADGXPLORBFT-LPZLMQDUSA-N 299.720 2.476 50 50 CEGA C[C@@H](NC(=O)CCl)[C@@H]1OCCc2sccc21 1875378000 SZVKCWAOKKMAOI-HQJQHLMTSA-N 259.758 2.105 50 50 CEGA COC[C@H](NC(=O)[C@H](C)Cl)c1ccc(F)c(F)c1 1875378136 WFGCBVAWWDEQQG-CPCISQLKSA-N 277.698 2.396 50 50 CEGA CCc1cc(C(=O)NNC(=S)NCC(C)C)cs1 2113026 VWJUJNVRUKAUQU-UHFFFAOYSA-N 285.438 2.075 50 50 CEGA O=C(N/N=C\c1c[nH]c2ccccc12)c1ccccn1 43760811 ITHXFUHWMKSSJX-ZDLGFXPLSA-N 264.288 2.327 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C 1875364403 MCPZWQNHDKOLBM-MBNYWOFBSA-N 295.814 2.036 50 50 CEGA CN(C(=O)Cc1ccccc1)N(C)C(=O)Cc1ccccc1 185810 WBZLPLBERRHGCM-UHFFFAOYSA-N 296.370 2.304 50 50 CEGA CC(C)c1cc(C(=O)N/N=C/c2cccc(O)c2)[nH]n1 18144155 HYHFEWXYEUZUDD-OVCLIPMQSA-N 272.308 2.003 50 50 CEGA Cc1ccc(S(=O)(=O)n2ccc(C(=O)CCl)c2)cc1 14909847 YOGUEUYPEHSNNN-UHFFFAOYSA-N 297.763 2.455 50 50 CEGA in-vitro Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 48877 JYVSBGRSWBOVMQ-CYBMUJFWSA-N 298.273 2.306 50 50 CEGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 3141532 GHSPAUNVOVRGKH-LSDHHAIUSA-N 280.327 2.251 50 50 CEGA Cc1noc([C@@H](NC(=O)[C@H](C)Cl)c2ccccc2)n1 1875364635 OZQKYUGYOXRPNA-KWQFWETISA-N 279.727 2.211 50 50 CEGA CC(C)(C)OC(=O)NNc1ccccc1C(=O)O 38999529 DTTSVUPYGSOJER-UHFFFAOYSA-N 252.270 2.236 50 50 CEGA in-vitro COc1ccc(NC(=O)C(Cl)Cl)cc1[N+](=O)[O-] 3080949 QYVITGSZOPSVGS-UHFFFAOYSA-N 279.079 2.346 50 50 CEGA Cc1ncccc1OC[C@@H]1CCCN1C(=O)[C@@H](C)Cl 1875377274 BFHNNLBQMUHMQO-PWSUYJOCSA-N 282.771 2.387 50 50 CEGA C[C@@H](Cl)C(=O)N1CCCc2c1ccnc2N(C)C 1875376396 VOISWZUVWGRAQB-SECBINFHSA-N 267.760 2.054 50 50 CEGA C[C@@H](Cl)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 1875378233 XYDQZSPJEURTPQ-ABAIWWIYSA-N 279.767 2.314 50 50 CEGA O=C(CCl)N[C@H](c1ccccc1)[C@H]1CCOC1 1875375098 RAXIJKLKKXAJOQ-WCQYABFASA-N 253.729 2.119 50 50 CEGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 293198 ORWWIXVKKFLSCZ-INIZCTEOSA-N 293.326 2.496 50 50 CEGA C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100068871 BJDCWCLMFKKGEE-RZULFSQCSA-N 284.352 2.187 50 50 CEGA biogenic,world C[C@H](Cl)C(=O)N(c1ccccc1)[C@H]1CCOC1 1875377754 MWFXESXYYKAINF-JQWIXIFHSA-N 253.729 2.436 50 50 CEGA O=C(CCl)NCC(=O)c1cc2c(s1)CCCC2 1875377712 LQOYLBYIMIZZDD-UHFFFAOYSA-N 271.769 2.165 50 50 CEGA CC(C)[C@H](NC(=O)[C@@H](C)Cl)C1(CO)CC=CC1 1875379993 BQESNPWDAJJLPI-MNOVXSKESA-N 259.777 2.083 50 50 CEGA C/C(=C\C(=O)NNC(=O)c1ccc(C)s1)C1CC1 194289068 SOJPBMBWXDAXHE-BQYQJAHWSA-N 264.350 2.174 50 50 CEGA COCc1[nH]nc2c1[C@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 20064769 WWCHKHPPGPKKIL-BXKDBHETSA-N 286.335 2.082 50 50 CEGA Cc1ccc(C)c2c1[C@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@@H]12 101021355 RGVJSMKRCNBIRS-MHWZDGSBSA-N 254.285 2.370 50 50 CEGA CN(CC1CCCCC1)C(=O)C(C)(C)NC(=O)CCl 1875389884 GAUKSZJFNZCVDU-UHFFFAOYSA-N 288.819 2.159 50 50 CEGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(O)c(O)c1 245227021 WJCRLEXLLLXZDX-IMDPDOKMSA-N 288.347 2.374 50 50 CEGA O=C(CCl)N(CCc1ccccc1)[C@@H]1CCOC1 1875364415 MHOMYVOEWBHXEZ-CYBMUJFWSA-N 267.756 2.085 50 50 CEGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1 299747 POJGFDGDLWQNKL-UHFFFAOYSA-N 297.358 2.454 50 50 CEGA C[C@H](Br)C(=O)c1ccc(OCC(=O)O)cc1 4521289 SQLRCYTWVMDUBW-ZETCQYMHSA-N 287.109 2.116 50 50 CEGA COc1cccc(CCN(C(=O)CCl)[C@H]2CCOC2)c1 1875375586 FHGCDFJUIUIXNH-ZDUSSCGKSA-N 297.782 2.094 50 50 CEGA C[C@@H](Cl)C(=O)N[C@@H]1CCCO[C@H]1c1ccncc1 1875367645 ZNLOJIHXCAAFOR-JLLWLGSASA-N 268.744 2.045 50 50 CEGA Cn1cccc1CC(=O)N/N=C/C=C/c1ccccc1 1746018 GRBHQGJJCNTTIQ-WHORLJIGSA-N 267.332 2.383 50 50 CEGA O=C(CC(=O)NC1CCCCC1)NN=C1CCCCC1 275799 LNHRJTDCGFUSRV-UHFFFAOYSA-N 279.384 2.262 50 50 CEGA O=C(CCl)Nc1ccc(-c2n[nH]c3c2COCC3)cc1 1875369007 MHSDGWFEUVXBIA-UHFFFAOYSA-N 291.738 2.327 50 50 CEGA C[C@H](NC(=O)CCl)[C@@H](O)c1cc(F)cc(Cl)c1 1875378500 FBJSQTNPEVGEOU-UPONEAKYSA-N 280.126 2.256 50 50 CEGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN 2568682 FFMVOBJHZPFTGI-LLVKDONJSA-N 256.305 2.111 50 50 CEGA CCCCCC(=O)N/N=C/c1cccc(OC)c1O 2885783 YOLMFKHRZGLOPS-XNTDXEJSSA-N 264.325 2.431 50 50 CEGA CCOC(=O)[C@H](Br)C(C)(C)Br 85224360 FFXKUQBPFKDRPE-YFKPBYRVSA-N 287.979 2.487 50 50 CEGA CN(Cc1c(Cl)nc2sccn12)C(=O)CCl 1875363592 LCEIBUNTCVNYML-UHFFFAOYSA-N 278.164 2.246 50 50 CEGA CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H](C)Cl)CC2 1875364064 BHQFHHYHDPQNBX-KOLCDFICSA-N 269.776 2.065 50 50 CEGA COC(=O)CC[C@H](NC(=O)CCl)c1ccccc1 1116433738 DRFSXPKHFYWBEF-NSHDSACASA-N 269.728 2.036 50 50 CEGA O=C=Nc1ccc(I)cc1F 2509911 VBRWSMMFMURCHF-UHFFFAOYSA-N 263.009 2.398 50 50 CEGA Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(N(C)C)cc1 176942 XICKVHBJCRFCQT-VCHYOVAHSA-N 299.378 2.162 50 50 CEGA Cc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 502750 YDBSMOOZKZHTLW-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA BrC[C@@H]1Cn2c(nnc2-c2cccnc2)S1 553605 RAHPLJHDYLAVAY-MRVPVSSYSA-N 297.181 2.209 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CCCC3 254393104 PQOFCACDJUIWCA-KXOBMIPESA-N 256.301 2.235 50 50 CEGA CC(C)(C)[Si](C)(C)OCC[C@@H]1C[C@@H]1C(=O)NN 601013403 UDWJBXCBJIAFCL-ZJUUUORDSA-N 258.438 2.024 50 50 CEGA CCCC(=O)NNC(=O)Nc1ccc(Cl)cc1 8569416 WZWUBDMGRJBJOQ-UHFFFAOYSA-N 255.705 2.293 50 50 CEGA O=C(O)/C=C\C(=O)NN=C(c1ccccc1)c1ccccc1 100044617 AACSXNDMQHZLAL-QXMHVHEDSA-N 294.310 2.196 50 50 CEGA COc1ccc2c(c1)CC[C@@H]1C2=CC[C@H]2C(=O)OC(=O)[C@H]12 101012738 FYCGVOHPPYSXFO-RBSFLKMASA-N 284.311 2.361 50 50 CEGA NNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 334161296 YTSWATVCBOJMJG-UHFFFAOYSA-N 289.722 2.196 50 50 CEGA O=C(N/N=C/c1ccccc1C(=O)O)c1cccs1 232500 PIZOHUZBBQUNPO-RIYZIHGNSA-N 274.301 2.210 50 50 CEGA Cc1ccc(C(=O)NNC(=O)c2cccc(C)c2O)cc1 446437 GFIAHGQJIGSJNT-UHFFFAOYSA-N 284.315 2.084 50 50 CEGA O=C(CCl)NCCc1nc2c(s1)CCCCC2 1875368852 BCBHZZNBBQDDHT-UHFFFAOYSA-N 272.801 2.310 50 50 CEGA C[C@H](CC1CCCC1)C(=O)NNc1ncnc2nc[nH]c12 170644331 ODAOJNJDNNBYGU-SECBINFHSA-N 288.355 2.012 50 50 CEGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(N)=O)cc1 2519983 QUDPIFXJGAQRDM-VCHYOVAHSA-N 297.314 2.216 50 50 CEGA CCCCc1sc(/C=N/NC(N)=O)cc1[N+](=O)[O-] 2807272 NKDOGOWJPHKIGK-WUXMJOGZSA-N 270.314 2.001 50 50 CEGA COC(=O)c1ccc(C(=O)CBr)s1 34135199 KKPYVZJBLYIYRX-UHFFFAOYSA-N 263.112 2.112 50 50 CEGA N#C/C(=C1/CCCCN1)S(=O)(=O)c1ccccc1F 98212074 HZSUMOVSXPMOBX-ACCUITESSA-N 280.324 2.108 50 50 CEGA C[C@@H](Cl)C(=O)N1CCO[C@]2(CCc3ccccc32)C1 1875378234 XYDQZSPJEURTPQ-IAQYHMDHSA-N 279.767 2.314 50 50 CEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 301025 CKWMTKWRDRUQIR-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA CN(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1 261280 BLNHXABCCLZUFM-LDADJPATSA-N 297.358 2.282 50 50 CEGA C[C@@H](Oc1ccccc1)C(=O)NN=Cc1ccc(O)cc1 238900028 HTSFWLZHGCFJMX-GFCCVEGCSA-N 284.315 2.310 50 50 CEGA O=C(N/N=C/c1ccncc1)c1cc(-c2cccs2)n[nH]1 8894583 KCQZVURYYAAYRD-CXUHLZMHSA-N 297.343 2.297 50 50 CEGA CC1=C/C(=N/NC(=O)c2ccccc2)C=C/C1=N/O 100116422 QORYBDOAIMZBHC-GXDIDPINSA-N 255.277 2.119 50 50 CEGA C[C@H]1CCC/C(=N/NC(=O)c2cc(O)cc(O)c2)C1 288605 ZVPUOFDVRCMYIX-PPHKCDOESA-N 262.309 2.394 50 50 CEGA NNC(=O)c1ccc(COc2ccccc2Cl)o1 115367 KEWPVTDSROGNFM-UHFFFAOYSA-N 266.684 2.116 50 50 CEGA O=C(O)C[C@H](Br)C(=O)c1ccc(F)cc1 2350121 CAZGDYWJCWEYTI-QMMMGPOBSA-N 275.073 2.247 50 50 CEGA O=[N+]([O-])c1ccc([C@@H](Cl)S(=O)(=O)CCl)cc1 101042256 KQBFGJMIAMGKFP-QMMMGPOBSA-N 284.120 2.443 50 50 CEGA C[C@@H](Cl)C(=O)N(Cc1ccco1)C1CCN(C)CC1 1775949738 LOODUNMMAFUFEU-LLVKDONJSA-N 284.787 2.330 50 50 CEGA O=C(CSc1ccccn1)N/N=C/c1ccc(O)cc1 195921 XIXAVQHHFBCTRD-CXUHLZMHSA-N 287.344 2.030 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 262996 USNNCFCLTVHOOK-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA CC(C)(C)OC(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 2168282 YQLQFFHXBLDWLW-UHFFFAOYSA-N 296.279 2.025 50 50 CEGA Cc1ccc(O[C@H](C)C(=O)NN=Cc2ccccn2)cc1 238924068 QRTJFNKOXXNQRB-CYBMUJFWSA-N 283.331 2.308 50 50 CEGA O=C(N/N=C/CBr)OCc1ccccc1 255190372 WVUMYUCGFLCNPC-KPKJPENVSA-N 271.114 2.294 50 50 CEGA C[C@@H]1CCc2c(sc(NC(=O)CCl)c2C(N)=O)C1 873992 LHOIRLRBNWOTOD-ZCFIWIBFSA-N 286.784 2.149 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CC=CC3 254752428 MBOCWUFISKKKSD-ZNNLQBODSA-N 254.285 2.011 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1O)c1cccc(F)c1 298668 KJBNYMXQIMPKJY-LZYBPNLTSA-N 274.251 2.001 50 50 CEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccs1 242955 HYSGCYCMVZPHCV-NTUHNPAUSA-N 291.288 2.126 50 50 CEGA Cc1nnsc1C(=O)N/N=C/C=C/c1ccccc1 5792565 YPQRLOZWPNBULX-KBEUXKDCSA-N 272.333 2.276 50 50 CEGA O=C(NNC(=S)NC1CCCCC1)c1cccs1 135833 UGMCLDASMRDHHT-UHFFFAOYSA-N 283.422 2.190 50 50 CEGA COC(=O)c1ccc(/C=N/NC(=O)c2ccoc2C)cc1 228180 CPOIQZUFFMRCRM-CXUHLZMHSA-N 286.287 2.139 50 50 CEGA O=C(NN=Cc1c[nH]c2ccccc12)c1ccccn1 254697024 ITHXFUHWMKSSJX-UHFFFAOYSA-N 264.288 2.327 50 50 CEGA C[C@H](Cl)C(=O)NCCCN(C)c1ccccc1F 1875363878 CLSBYISARJAUEP-JTQLQIEISA-N 272.751 2.396 50 50 CEGA C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CCl 1319681588 CQISOJDKUXZPSH-XLFHBGCDSA-N 273.785 2.182 50 50 CEGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(F)c1 63777 MFVJAICIUVDDAW-LZYBPNLTSA-N 274.251 2.001 50 50 CEGA O=C(N/N=C/c1cccnc1)c1c[nH]c2ccccc12 175254 WDUSXWHAKYSLCP-GIJQJNRQSA-N 264.288 2.327 50 50 CEGA C[C@H](Br)Cn1c(N)nc2ccccc21 307564091 BBYVNKMNCMRVNL-ZETCQYMHSA-N 254.131 2.402 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H](C)c1nccc(C(F)F)n1 1875376154 NKOGHBXGTSDEGB-WDSKDSINSA-N 263.675 2.219 50 50 CEGA C[C@H]1C[C@H](NC(=O)N2CCSSCC2)C[C@@H](C)O1 1775992448 SNVQSENREIHWHS-JGPRNRPPSA-N 290.454 2.349 50 50 CEGA COC(=O)CP(=O)(c1ccccc1)c1ccccc1 301429 RWAQJFDCPSWZJD-UHFFFAOYSA-N 274.256 2.174 50 50 CEGA CC(C)(C)OC(=O)N1CCC(OC(=O)CCl)CC1 396141390 MAGDBCHGOKBUJQ-UHFFFAOYSA-N 277.748 2.168 50 50 CEGA C[C@@H]1C(=O)[C@@]2(CO)O[C@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C 169835928 GMDNMPHDQFXAOJ-RMIALFOJSA-N 286.444 2.116 50 50 CEGA O=C(CCc1ccccc1)N/N=C/c1cccc(O)c1 62630 MKSQBDOSYOZRCW-SFQUDFHCSA-N 268.316 2.475 50 50 CEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1 2903120 SDZPRVGQTPIWTR-VCHYOVAHSA-N 299.305 2.223 50 50 CEGA CC1=C(C#N)C(c2ccc([N+](=O)[O-])o2)C(C#N)=C(C)N1 1000492 RZWKOYDPVXNFOU-UHFFFAOYSA-N 270.248 2.470 50 50 CEGA C[C@@H](Cl)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 1875380232 JCGLTAMSORQZDF-DDTOSNHZSA-N 289.766 2.472 50 50 CEGA O=C(CCl)Nc1nnc(-c2ccccc2)s1 3016553 CVISCSFOMGKKJR-UHFFFAOYSA-N 253.714 2.382 50 50 CEGA NNC(=O)c1cccnc1SCCC(F)=C(F)F 153439 WIKPOCQIYBVIRM-UHFFFAOYSA-N 277.271 2.245 50 50 CEGA O=C(NCC(Cl)Cl)Nc1ccc(F)cn1 585141665 WUYQSDMVYQQACS-UHFFFAOYSA-N 252.076 2.146 50 50 CEGA C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)Cl 307411914 HTTSVYZTEWKOQX-GHMZBOCLSA-N 255.745 2.335 50 50 CEGA O=C(N/N=C/c1cccc(O)c1)[C@@H]1[C@H]2CCCC[C@H]21 252320620 FLEGVTXOINSDOL-PJNRVYSISA-N 258.321 2.279 50 50 CEGA O=C(N/N=C/c1cc2ccccc2[nH]1)c1ccncc1 61597 IAGKIIGEMOHYIT-LICLKQGHSA-N 264.288 2.327 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1C[C@@H]1c1ccccc1 4066474 JXJKGNIHPNFIOL-NUUDIBSWSA-N 296.326 2.352 50 50 CEGA CCOC(=O)C[C@H](NC(=O)CCl)c1ccccc1C 1616016463 NETUNUWSJQWTTN-LBPRGKRZSA-N 283.755 2.344 50 50 CEGA Cc1ccccc1NCC(=O)N/N=C/c1ccccc1O 261606 CFZSWPRBTXAXHC-VCHYOVAHSA-N 283.331 2.263 50 50 CEGA CC(C)(C)OC(=O)N[C@H]1C[C@H](I)C1 101787565 XGEFFDGFPRWHAW-KNVOCYPGSA-N 297.136 2.477 50 50 CEGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN 4201749 JBEZJVBXJSLJKB-GFCCVEGCSA-N 286.331 2.023 50 50 CEGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 3141531 GHSPAUNVOVRGKH-HUUCEWRRSA-N 280.327 2.251 50 50 CEGA NC(=O)N/N=C(/Cc1ccccc1)c1ccccc1 8612731 IHLCETMHPQTTLB-VKAVYKQESA-N 253.305 2.302 50 50 CEGA O=C(N/N=C/c1nc2ccccc2[nH]1)C1[C@@H]2CCCC[C@@H]12 100300355 KDFWNEPGXFOJME-PFQFTOTCSA-N 282.347 2.449 50 50 CEGA COc1ccc2c(c1)CC[C@@H]1C2=CC[C@H]2C(=O)OC(=O)[C@@H]12 230076124 FYCGVOHPPYSXFO-KFWWJZLASA-N 284.311 2.361 50 50 CEGA O=C(N/N=C/c1ccc(Br)o1)c1cccnc1 175228 KGSFDQDTZHSXDD-VGOFMYFVSA-N 294.108 2.201 50 50 CEGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 76487 RIYZZVFPXDQDPM-MRXNPFEDSA-N 293.326 2.496 50 50 CEGA COc1ccc(OC)c(NC(=O)[C@@H](C)Br)c1 152392 YSRWCGOGVBPWOI-SSDOTTSWSA-N 288.141 2.426 50 50 CEGA NS(=O)(=O)c1cc(CCl)c(Cl)cc1Cl 536952835 HFZHDJJXEYNDPY-UHFFFAOYSA-N 274.556 2.380 50 50 CEGA COc1ccc(C(=O)NNc2ccccc2)cc1OC 299205 MAYZYTXFKYECBV-UHFFFAOYSA-N 272.304 2.461 50 50 CEGA Cc1c(C(=O)NN)sc(-c2ccccc2)c1C#N 365894 YGTYXANKYHXEBS-UHFFFAOYSA-N 257.318 2.199 50 50 CEGA O=C(c1ccccc1)N1CCCC[C@@H](Cl)C1=O 1465860 FCTCNPMPXQXJOV-LLVKDONJSA-N 251.713 2.447 50 50 CEGA Cc1cc(C(=O)N/N=C/c2ccc(O)cc2O)c(C)o1 228313 QJHZPXYRRUHJTC-VIZOYTHASA-N 274.276 2.072 50 50 CEGA COc1ccc(C[C@H]2CCN2C(=O)[C@H](C)Cl)cc1 1875364087 IFCDMFWEUMXGSU-CMPLNLGQSA-N 267.756 2.466 50 50 CEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccsc1 60618 MCAIKLLCSPREDM-LBPRGKRZSA-N 290.344 2.393 50 50 CEGA CC(C)(O)C#Cc1ccc2c3c(cccc13)C(=O)OC2=O 59676992 REIOAPDEQYXHGB-UHFFFAOYSA-N 280.279 2.273 50 50 CEGA biogenic,in-vitro O=C(NNC(=S)Nc1cccc(Cl)c1)C(F)(F)F 2763151 LJKRXLYYSQLUJK-UHFFFAOYSA-N 297.689 2.220 50 50 CEGA C[C@@H](NC(=O)CCl)[C@H]1OCCc2sccc21 1875378001 SZVKCWAOKKMAOI-RDDDGLTNSA-N 259.758 2.105 50 50 CEGA O=C(CCl)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 1875374919 JTBZZHXSAVNGLG-NXEZZACHSA-N 299.758 2.214 50 50 CEGA CCc1ccc([C@H](COC)NS(=O)(=O)[C@H](C)Cl)o1 585115356 XNDNHCLXMCWMMW-SCZZXKLOSA-N 295.788 2.034 50 50 CEGA O=C(CN1CCCCCC1)N/N=C/c1cccs1 292531 AZFFWLMSBICRDG-GXDHUFHOSA-N 265.382 2.074 50 50 CEGA CCOC1=C(C=O)CCc2c1c(C)nn2-c1ccccn1 2080385462 JUOKPKISJZKBRL-UHFFFAOYSA-N 283.331 2.468 50 50 CEGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc[nH]1 38853 UESVKACFLFPBGT-CYBMUJFWSA-N 283.331 2.466 50 50 CEGA O=C(CCc1ccccc1)N/N=C/c1ccncc1 280782 FZRZIFXAAOQIPW-SFQUDFHCSA-N 253.305 2.165 50 50 CEGA O=c1c2ccccc2nc2n1C[C@@H](CBr)S2 96027533 VBAZLZHLUBBBFI-SSDOTTSWSA-N 297.177 2.266 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@H]1C[C@@H]1c1ccccc1 3150420 IQWZDJURMNEOIO-OEYQNCTESA-N 299.286 2.442 50 50 CEGA CCOC(=O)[C@@]12CCCC[C@@H]1N(C(=O)[C@H](F)Cl)CC2 2325898212 XBEMSAPWMPCRKS-OUJBWJOFSA-N 291.750 2.245 50 50 CEGA COC(=O)c1ccc(CBr)c(OC)c1 2562425 UXSNXOMMJXTFEG-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA C[C@H](Br)CCN1C(=O)c2ccccc2C1=O 3124794 UAGMPSBTOFTTGY-QMMMGPOBSA-N 282.137 2.456 50 50 CEGA Cc1ccccc1NCC(=O)N/N=C\c1ccccc1O 55425404 CFZSWPRBTXAXHC-ZDLGFXPLSA-N 283.331 2.263 50 50 CEGA O=C(CCl)Nc1ccc(C(=O)N2CCCC2)cc1 13324278 KAOSIVGXRNZEQY-UHFFFAOYSA-N 266.728 2.100 50 50 CEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 123081 YHLGHERMPLXOQN-AWEZNQCLSA-N 282.299 2.207 50 50 CEGA Cc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1 242103 QVYLPRKNRSDFHL-CQSZACIVSA-N 294.310 2.475 50 50 CEGA O=C1ON=C(CCl)/C1=C\c1ccc([N+](=O)[O-])cc1 34926723 VDJGVYWRCWGYEV-WEVVVXLNSA-N 266.640 2.130 50 50 CEGA CC1(C)CCC[C@@]2(C)[C@H](CC(=O)NN)[C@](C)(O)CC[C@H]12 241588496 PDQSVGLZIOOWSJ-NOXHYTERSA-N 282.428 2.360 50 50 CEGA C[C@H]1C(=O)[C@@]2(CO)O[C@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C 169835925 GMDNMPHDQFXAOJ-ZHPDPMBESA-N 286.444 2.116 50 50 CEGA NNC(=O)COc1c(Cl)cc(Cl)cc1Cl 2568965 VQKAUKMRXXSHLT-UHFFFAOYSA-N 269.515 2.016 50 50 CEGA Cc1n[nH]c2c1[C@H](c1c(F)cccc1F)C(C#N)=C(N)O2 4813317 PWIGEUJXSSREPG-LLVKDONJSA-N 288.257 2.215 50 50 CEGA O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C(c5ccccc5)[C@@H]43)[C@@H]12 103935965 WRNPURQQOXPFLD-ZLUAVYQLSA-N 278.307 2.448 50 50 CEGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)Cl)CC1=O 33435318 GLQDYQMUQCZQTC-KOLCDFICSA-N 251.713 2.362 50 50 CEGA O=C(N/N=C/c1ccc2nccn2c1)c1cccs1 575442423 MPHVTJOTSAWHOU-OVCLIPMQSA-N 270.317 2.160 50 50 CEGA CCCn1ccnc1CCCN(C)C(=O)[C@H](C)Cl 1875377957 SBZWDCJSAURVAR-NSHDSACASA-N 271.792 2.311 50 50 CEGA O=C(N/N=C/Cc1ccccc1)c1ccccc1O 3899098 FZLZMAMMBJYULF-LFIBNONCSA-N 254.289 2.351 50 50 CEGA CC(C)NNC(=O)COc1ccc(Cl)cc1Cl 6616641 WNEIGPZCYOGYJL-UHFFFAOYSA-N 277.151 2.401 50 50 CEGA O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@H]2C3=C(CCCC3)[C@@H]12 254619600 TWPKKKBHBOVJOC-KXSLGULGSA-N 256.301 2.235 50 50 CEGA Cc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)c1 438646 NGBFFJPLWZWDLG-YCPFAOKUSA-N 282.343 2.487 50 50 CEGA O=C(CBr)Nc1ccc(F)c(F)c1 5816279 NSXQVWQSUBGVKV-UHFFFAOYSA-N 250.042 2.298 50 50 CEGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccco2)n[nH]1 5402797 JAAIOXNGPIFRHH-CXUHLZMHSA-N 296.286 2.139 50 50 CEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1F 47839 YSNQZZQVKXCHQI-ZDUSSCGKSA-N 288.278 2.080 50 50 CEGA Cc1[nH]nc2c1[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 550763 PKNANNBHWJRMEK-SKDRFNHKSA-N 256.309 2.244 50 50 CEGA CC(I)I 88241985 JNVXRQOSRUDXDY-UHFFFAOYSA-N 281.862 2.202 50 50 CEGA C[C@H](NC(=S)NNC(=O)c1ccco1)c1ccccc1 2772040 XFELULDFXCRXAQ-JTQLQIEISA-N 289.360 2.150 50 50 CEGA Cc1nn(C)c2cc(NC(=O)[C@@H](C)Cl)ccc12 1875378245 YCQOEPNEKCIQDR-SSDOTTSWSA-N 251.717 2.448 50 50 CEGA CC1CCN(/C(N)=C(\C#N)c2nc3ccccc3n2C)CC1 221914593 AUFMSBZYNSWFRQ-DTQAZKPQSA-N 295.390 2.456 50 50 CEGA COc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 12951764 VTOVQYQQXXCICN-OQLLNIDSSA-N 293.326 2.314 50 50 CEGA O=C(NNc1ccc(Cl)nn1)Nc1ccccc1 1388542 BUGCJVKRBWYCLD-UHFFFAOYSA-N 263.688 2.279 50 50 CEGA CC1CCN(/C(N)=C(\C#N)c2nc3ccccc3[nH]2)CC1 221914716 XIMQQRNZXCAAOW-NTCAYCPXSA-N 281.363 2.446 50 50 CEGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccnc1 241021 KGOHKIXLJKJVSY-LKFCYVNXSA-N 281.315 2.142 50 50 CEGA Cc1cccc(C)c1NC(=O)NNC(=O)c1ccccc1O 2143554 SJJQPJFTFHEWAU-UHFFFAOYSA-N 299.330 2.476 50 50 CEGA C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100014791 BLUAFEHZUWYNDE-DKGJTOOQSA-N 282.336 2.395 50 50 CEGA biogenic,world CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NN 2783012 HVRRNLLXVRVMLI-QMMMGPOBSA-N 263.124 2.141 50 50 CEGA O=C(CCl)Nc1ccc(NC(=O)CCl)cc1 1733758 RKJYUCXSQOPWBA-UHFFFAOYSA-N 261.108 2.041 50 50 CEGA CCn1cc(/C=N/NC(=O)/C(C)=C/c2ccccc2)cn1 2798169 ZVBMAZBZXJABGP-HFRXNJIXSA-N 282.347 2.457 50 50 CEGA O=S(=O)(c1ccccc1)[C@H]1[C@H]2[C@H]3C[C@H]1[C@@H](Cl)[C@@H]23 252428091 PTGDUGPVEWYOLE-ASHHDVGLSA-N 268.765 2.332 50 50 CEGA O=C(NN=Cc1ccc(O)c(O)c1)c1cccc2cc[nH]c12 252679209 JNJKCFYBJKTZQJ-UHFFFAOYSA-N 295.298 2.343 50 50 CEGA C[C@H](Cl)C(=O)N1CC2(CCOCC2)[C@H]1C1CC1 1875375962 KUVISLRKBNBALY-GXSJLCMTSA-N 257.761 2.031 50 50 CEGA C[C@@H](Cl)C(=O)N1CCOc2c1ccc(F)c2F 1875377974 SKOJHFKAWDXYFL-ZCFIWIBFSA-N 261.655 2.318 50 50 CEGA COc1cc2c(cc1CNC(=O)[C@@H](C)Cl)O[C@@H](C)C2 1875363853 BOIBRDKDRUDYHS-DTWKUNHWSA-N 283.755 2.262 50 50 CEGA COc1ccc(OCC(=O)N/N=C(\C)c2ccncc2)cc1 8182490 AYZYEBTWEAWPED-LDADJPATSA-N 299.330 2.009 50 50 CEGA CCOC(=O)C(C#N)=C1CCN(C(=O)OC(C)(C)C)CC1 35786954 FYSWQLWLYPQLMR-UHFFFAOYSA-N 294.351 2.401 50 50 CEGA NC(=O)N/N=C1\CO[C@](CCCCl)(c2ccccc2)C1 43761610 QMGFJOCDQWRAID-VMOJBDSFSA-N 295.770 2.346 50 50 CEGA COC(=O)N[C@@]1(C)CCCC[C@@H]1I 43763553 DHUFELLIZJYDHQ-CBAPKCEASA-N 297.136 2.479 50 50 CEGA O=C(NN=Cc1ccc2c(c1)CCC2)c1cccnc1 4582373 AEPGWCLQXPDQLL-UHFFFAOYSA-N 265.316 2.334 50 50 CEGA CCOc1ccccc1/C=N/NC(=O)c1ccncc1 61607 WAFHBRSLNGYCQP-GZTJUZNOSA-N 269.304 2.244 50 50 CEGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccnc1 241014 KGOHKIXLJKJVSY-XPTSAGLGSA-N 281.315 2.142 50 50 CEGA CCc1ccccc1OCC(=O)N/N=C/c1ccccc1O 3152576 CSRUOQGVRPPPJP-WOJGMQOQSA-N 298.342 2.484 50 50 CEGA O=C(N/N=C/c1nc2ccccc2[nH]1)C1[C@H]2CCCC[C@H]12 100300351 KDFWNEPGXFOJME-WRKDVHLXSA-N 282.347 2.449 50 50 CEGA COc1ccccc1C(=O)NNC1=CC(=O)CC(C)(C)C1 9553466 JMZZFNDMLAUFAU-UHFFFAOYSA-N 288.347 2.203 50 50 CEGA COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1O 62359 OWCTYKZHWXUBEE-LDADJPATSA-N 298.342 2.484 50 50 CEGA biogenic CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccoc1 207977 GWALCIYSGQYUMS-LBPRGKRZSA-N 288.303 2.314 50 50 CEGA Cc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1 1948044 JTLWOXXHLGOIAZ-CXUHLZMHSA-N 299.286 2.373 50 50 CEGA Cc1cc(C(=O)NNC(=S)NC2CCCCC2)cs1 1012067 BYXQYPZYILPCEZ-UHFFFAOYSA-N 297.449 2.498 50 50 CEGA Cc1ccc(C(C)C)c(OCc2cccc(B(O)O)c2)c1 169903671 AABBYGNTCONFJV-UHFFFAOYSA-N 284.164 2.377 50 50 CEGA CCn1ncc(-c2cc(C(=O)NN)c3ccccc3n2)c1C 2538008 WZYBXHKWSIGSJH-UHFFFAOYSA-N 295.346 2.030 50 50 CEGA CC1(C)Cc2ccccc2C(NNC(=O)c2ccccn2)=N1 5019251 FYDXTSDJPHQUMZ-UHFFFAOYSA-N 294.358 2.098 50 50 CEGA CCOC(=O)C/C(C)=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1 5315315 ICULRNROKKFCHD-PBTRJEIRSA-N 288.347 2.235 50 50 CEGA O=C(O)c1ccc([N+](=O)[O-])c(CBr)c1 36893571 YVGHVCRKHIIHPG-UHFFFAOYSA-N 260.043 2.188 50 50 CEGA CN(C)c1nnc(-c2ccc(NC(=O)[C@@H](F)Cl)cc2)o1 2325901592 MRVXCSDCFHEUMZ-SECBINFHSA-N 298.705 2.276 50 50 CEGA CC(C)c1ccc([C@@H]2Nc3ncnn3C(N)=C2C#N)cc1 6755257 UWHSRBPOHIGYMW-ZDUSSCGKSA-N 280.335 2.219 50 50 CEGA CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 9089301 WIGOMWGYVUEZHC-JTQLQIEISA-N 260.318 2.094 50 50 CEGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 31723653 QVEDXOJKSBOJFM-DHDCSXOGSA-N 285.259 2.064 50 50 CEGA N#Cc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 498036 NGGKIOMCTGPIGR-WOJGMQOQSA-N 279.299 2.087 50 50 CEGA O=C(CCl)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 1261636393 IRKDZFXKCOEKFG-SECBINFHSA-N 299.720 2.433 50 50 CEGA COc1ccccc1NC(=O)[C@@H](C)Br 163599 NCKXHHANTBQLTI-SSDOTTSWSA-N 258.115 2.417 50 50 CEGA O=[P@@](O)(c1ccccc1)c1nccn1Cc1ccccc1 235173 YLIGQGVJYOZPBG-UHFFFAOYSA-N 298.282 2.153 50 50 CEGA COc1cc(C=O)ccc1OCCOCCCl 2170645 OQFUAXJLMJBCJN-UHFFFAOYSA-N 258.701 2.142 50 50 CEGA Cc1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 2890997 FXTSWKBWVZCUJO-UHFFFAOYSA-N 269.304 2.462 50 50 CEGA C[C@H](Cl)C(=O)N[C@]1(C#N)CCc2ccccc2C1 1875303542 CTEPLVYNNANXEF-IINYFYTJSA-N 262.740 2.181 50 50 CEGA O=C(CCl)N1CCN(c2ccc3c(c2)CCC3)CC1 1875375069 PMZWPYHQDFRNDZ-UHFFFAOYSA-N 278.783 2.063 50 50 CEGA N#C/C(=C/c1c(O)cc(Cl)cc1Cl)C(N)=O 4582549 UBSYPGYEJJJYGL-KTAJNNJTSA-N 257.076 2.091 50 50 CEGA C[C@H](Cl)C(=O)NCc1ccc2c(c1)C(C)(C)C(=O)N2 1875377649 JZSPMMNMVVROHA-QMMMGPOBSA-N 280.755 2.160 50 50 CEGA COCCN(Cc1c(F)cccc1F)C(=O)CCl 1875381729 FRHAVVOVBLFBBV-UHFFFAOYSA-N 277.698 2.179 50 50 CEGA CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@H](C)Cl)C1 1875363598 LODCCKDFQRQNKW-SRVKXCTJSA-N 288.819 2.157 50 50 CEGA COc1ccc(OC)c(NC(=O)[C@H](C)Br)c1 152390 YSRWCGOGVBPWOI-ZETCQYMHSA-N 288.141 2.426 50 50 CEGA O=P(c1ccccc1)(c1ccccc1)[C@@H]1COCCO1 1233437 WRBKJIRJPFYMCG-MRXNPFEDSA-N 288.283 2.373 50 50 CEGA C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CCl 1319681590 CQISOJDKUXZPSH-XYZCENFISA-N 273.785 2.182 50 50 CEGA COc1cccc(/C=N/NC(=O)C2CCCCC2)c1O 70457 XNIUJSXNLJKXPB-MHWRWJLKSA-N 276.336 2.431 50 50 CEGA COc1ccc(C(=O)N/N=C/c2ccccc2OC)cc1 325585 HBRGUFKBOUYUNL-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA C/C(=N/NC(=O)[C@@H](O)c1ccccc1C)c1ccco1 13950213 VMPQIAWLEHNXIF-HNDQUVLASA-N 272.304 2.162 50 50 CEGA NNC(=O)COc1ccccc1-c1nc2ccccc2s1 334819 NKSUKODVFDJAGR-UHFFFAOYSA-N 299.355 2.332 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CC=CC3 254752418 MBOCWUFISKKKSD-KXOBMIPESA-N 254.285 2.011 50 50 CEGA N#C/C(=C\c1c(O)cc(Cl)cc1Cl)C(N)=O 25662855 UBSYPGYEJJJYGL-ORCRQEGFSA-N 257.076 2.091 50 50 CEGA O=C(CCl)NC1(COc2ncccc2F)CCCC1 1875374271 IAEBMKFTDORYMO-UHFFFAOYSA-N 286.734 2.267 50 50 CEGA O=C(CCl)N[C@@H]1CCO[C@@H](c2cccs2)C1 1875374978 MNYGNGVJWANMNV-RKDXNWHRSA-N 259.758 2.323 50 50 CEGA O=C(Cc1cccs1)N/N=C/c1ccccc1C(=O)O 56110 NWWPERAUKCNVEF-OQLLNIDSSA-N 288.328 2.139 50 50 CEGA C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 15449187 BJDCWCLMFKKGEE-ISOSDAIHSA-N 284.352 2.187 50 50 CEGA biogenic,world C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCl 40546332 FLTTUALPAYCGKN-ZETCQYMHSA-N 254.673 2.111 50 50 CEGA Cc1cccc(/C=N/NC(=O)c2ccc(O)c(O)c2)c1 298256 DIUZNPSZRIXGLB-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA O=C(CCl)NC1CCN(Cc2ccccc2)CC1 4218531 VYBZXLPMMFDJFB-UHFFFAOYSA-N 266.772 2.006 50 50 CEGA C[C@@H](NC(=O)CCl)c1ccc(NC(=O)C2CC2)cc1 1341510014 XMDNTHVDKLTKEX-SECBINFHSA-N 280.755 2.451 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1cc(C(C)C)n[nH]1 233070 NDIHUIMISOJHSD-CXUHLZMHSA-N 286.335 2.306 50 50 CEGA CC1(C)OB(c2ccc(NC(=O)CCl)cc2)OC1(C)C 196606976 SDEMCVFPLGEVJY-UHFFFAOYSA-N 295.575 2.163 50 50 CEGA CC(=O)O[C@@H]1C=C[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@H]1Br 257357781 PVTYTHDWFCMPGF-QSZMHOAKSA-N 269.138 2.300 50 50 CEGA C[C@@H](Cl)C(=O)N1CC(F)(c2ccccc2F)C1 1875380192 HXEIECHMLUQHQU-MRVPVSSYSA-N 259.683 2.460 50 50 CEGA O=S(=O)(CCCl)c1ccc(Br)cc1 1736478 BSSDAMWQINGNMC-UHFFFAOYSA-N 283.574 2.462 50 50 CEGA in-vitro O=C(CCl)Nc1nnc(CC2CCCC2)s1 13324379 YNZAVYSOSHOUNJ-UHFFFAOYSA-N 259.762 2.448 50 50 CEGA NNC(=O)[C@H](Oc1ccccc1Cl)c1ccccc1 1699205 NMFDPQMJTPCEET-CYBMUJFWSA-N 276.723 2.450 50 50 CEGA O=C(CCl)N[C@H]1CCO[C@@H](c2cccs2)C1 1875374976 MNYGNGVJWANMNV-DTWKUNHWSA-N 259.758 2.323 50 50 CEGA O=C1OC(=O)C(c2ccc3c(c2)OCO3)=C1c1ccccc1 14096689 IMHGOAWBSJVILI-UHFFFAOYSA-N 294.262 2.410 50 50 CEGA Cc1ccsc1C1C(C#N)=C(N)SC(N)=C1C#N 2485690 LIYCFSRZVDUTPL-UHFFFAOYSA-N 274.374 2.275 50 50 CEGA Cc1n[nH]c2c1[C@@H](c1c(F)cccc1F)C(C#N)=C(N)O2 4813316 PWIGEUJXSSREPG-NSHDSACASA-N 288.257 2.215 50 50 CEGA COc1cccc(C(=O)N/N=C/c2ccccc2OC)c1 299775 VJTVCKXXXCXRCH-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA O=C(CBr)c1ccc(N2CCOCC2)cc1 158849 OUGMZFJPRSTGMJ-UHFFFAOYSA-N 284.153 2.101 50 50 CEGA in-vitro Cc1n[nH]c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 5044910 XGXVQUOJXOWMJD-GFCCVEGCSA-N 288.257 2.215 50 50 CEGA O=C(N/N=C/c1cccs1)c1cc(-c2ccco2)n[nH]1 72065 FXAQOBAZMFTOJV-RIYZIHGNSA-N 286.316 2.495 50 50 CEGA O=C(N=c1cc(C(F)(F)F)[nH][nH]1)[C@H]1CCCSS1 1875387919 FIWUQAFQAPQFMW-RXMQYKEDSA-N 297.327 2.333 50 50 CEGA CP(C)(=O)[C@H]1CCCC[C@@H]1NC(=O)CCl 1875375425 BRRBOCFIKUULQW-IUCAKERBSA-N 251.694 2.275 50 50 CEGA Cc1ccsc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 289003 CRDCXSIUDXWJMF-VNKGSWCUSA-N 276.361 2.259 50 50 CEGA CCSc1nnc(NC(=O)[C@H](C)Cl)s1 4079108 XPWOOHOBQMYJPF-BYPYZUCNSA-N 251.764 2.216 50 50 CEGA CC(C)(C)NC(=S)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 584906620 MHMAAXXGTZQWLF-GARJFASQSA-N 283.441 2.107 50 50 CEGA O=C(N/N=C/c1ccco1)c1cccc(N2CCCC2=O)c1 109142 QONLWFCNEYLDKA-GZTJUZNOSA-N 297.314 2.170 50 50 CEGA COc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 381296 MLNXGHQNAYYHRI-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA CCOC(=O)c1ccccc1NC(=O)CBr 5710671 OEKSAGOQDMQIAD-UHFFFAOYSA-N 286.125 2.197 50 50 CEGA Cc1cc(C=C2CCN(C(=O)CCl)CC2)no1 1875364854 WEYZBWMKFRLGHY-UHFFFAOYSA-N 254.717 2.228 50 50 CEGA COc1ccccc1/C=N/NC(=O)Cc1ccccc1 301048 RBQBQRZVSFKVJU-SFQUDFHCSA-N 268.316 2.388 50 50 CEGA O=C(O)CP(=O)(c1ccccc1)c1ccccc1 8015478 DDTNHSJIKJRPTF-UHFFFAOYSA-N 260.229 2.085 50 50 CEGA in-vitro Cn1cc(CN(Cc2ccc(F)cc2)C(=O)CCl)cn1 2325890336 NACPZKOYUYWCPN-UHFFFAOYSA-N 295.745 2.327 50 50 CEGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccs1 62904 NMUWNWFKRQPMAD-VXGBXAGGSA-N 286.356 2.313 50 50 CEGA O=C(NCCc1ccc(F)cc1)C(Cl)Cl 304105 BQYPPNGGBCQCGE-UHFFFAOYSA-N 250.100 2.288 50 50 CEGA COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)O)c1C 12504693 ADCFQGFVVSLIGN-YRVKEHPISA-N 262.309 2.304 50 50 CEGA COc1ccc2[nH]cc(CCNC(=O)CCCl)c2c1 2027095 ZGFSRHKRTMFUAZ-UHFFFAOYSA-N 280.755 2.464 50 50 CEGA CC1=CC[C@@H](C(C)(C)NC(=O)CCl)C/C1=N/O 107511783 IVDYROGRXOPUPV-ZLPNXAQZSA-N 258.749 2.307 50 50 CEGA C/C(=N\NC(=O)c1ccccc1O)c1ccccc1O 96429955 LQGMBUGEAAGJKW-MHWRWJLKSA-N 270.288 2.252 50 50 CEGA in-vitro CC(C)c1[nH]nc2c1[C@@H](c1ccco1)C(C#N)=C(N)O2 5130079 ISFYSJSSJKNRSS-SNVBAGLBSA-N 270.292 2.344 50 50 CEGA O=C(NNc1cnccn1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 114880399 RKGUUFPWVRINIA-NEPJUHHUSA-N 288.738 2.377 50 50 CEGA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1 20203501 MDHXPVGOYFJILO-MRVPVSSYSA-N 255.701 2.429 50 50 CEGA C[C@@H]1C(=O)[C@H]2CC(C)(C)[C@H]1C[C@H]2OC(=O)CCl 257358259 SMVCNZONBLVLDX-AATLWQCWSA-N 258.745 2.408 50 50 CEGA CC(C)(C)OC(=O)N1CC[C@H](I)C1 32915037 CFTPTQLIAIOWLK-ZETCQYMHSA-N 297.136 2.431 50 50 CEGA C[C@H](Cl)C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1875375806 IUJNUBFJWBFSCT-RYUDHWBXSA-N 294.782 2.125 50 50 CEGA O=C(CCl)N1CCC[C@H]1c1nc2ccccc2[nH]1 1775988366 IUZJQTJQLNOISK-NSHDSACASA-N 263.728 2.465 50 50 CEGA Cc1ccc(C)c2c(C)c(C(=O)NNc3cnnn3C)oc12 408518222 XKTMIVMWCCYMEL-UHFFFAOYSA-N 299.334 2.243 50 50 CEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 28175 OIBFWHGDEJGZHZ-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1O 498176 NMJRWEJFXCBJOQ-LICLKQGHSA-N 284.315 2.473 50 50 CEGA O=C(NNC(=O)c1ccccc1Cl)c1cccs1 320223 GVUCBTUKYVLGSX-UHFFFAOYSA-N 280.736 2.476 50 50 CEGA C[C@@H](Sc1ccccc1)C(=O)NN=C1CCN(C)CC1 55433739 HJLDJLWPZXCMEY-GFCCVEGCSA-N 291.420 2.365 50 50 CEGA COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CCl)CCC2 1875374693 DBJDAVCFMKYMOA-GFCCVEGCSA-N 295.766 2.248 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1)c1cccc(F)c1 298659 VARKNKZXOGFUEO-CXUHLZMHSA-N 258.252 2.295 50 50 CEGA CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccccc1Cl 9334752 IUBIVBDRXJKMGM-MIJYTDESSA-N 292.726 2.142 50 50 CEGA BrCCSc1nnnn1-c1ccccc1 2025022 DPVSRSWJGLGZQU-UHFFFAOYSA-N 285.170 2.149 50 50 CEGA CC(C)NC(=O)CCSSCCC(=O)NC(C)C 140519117 FVDPHFAMKFKSAP-UHFFFAOYSA-N 292.470 2.197 50 50 CEGA CC[C@@H](Sc1ccccc1)C(=O)NN(C)C(=O)OC 286411993 PTROYEKCAYSKCT-LLVKDONJSA-N 282.365 2.287 50 50 CEGA C[C@@H](Cl)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 1875364950 ZCIWFDASOICRJZ-NXEZZACHSA-N 293.754 2.465 50 50 CEGA O=C(CCl)Nc1ccc(N2C[C@@H]3CC[C@H](C2)O3)cc1 1875378092 VOTBQMWKCRBNEG-BETUJISGSA-N 280.755 2.232 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccc(N)cc2)c1OC 262844 JVOQLWJCBJKTQN-VCHYOVAHSA-N 299.330 2.050 50 50 CEGA O=C(NNc1ccc(C(=O)O)cc1)NC1CCCCC1 2167191 NRNFWOOZJHLDBE-UHFFFAOYSA-N 277.324 2.344 50 50 CEGA O=C(CBr)c1ccc2c(c1)OCCCO2 4207333 YJSZSLGVTLSCRU-UHFFFAOYSA-N 271.110 2.426 50 50 CEGA NNC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 6222335 YRCWGYXRHUCTBH-UHFFFAOYSA-N 289.722 2.196 50 50 CEGA Cc1cc(C(=O)NNc2ccccc2F)ns1 768093945 UHXQZMPJBXTEOT-UHFFFAOYSA-N 251.286 2.348 50 50 CEGA CN(C)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1 42775 BAFLYEAZPNXJML-GZTJUZNOSA-N 283.331 2.222 50 50 CEGA O=[N+]([O-])c1ccc(CI)o1 2532470 NMVRCCIHRGBQFK-UHFFFAOYSA-N 252.995 2.123 50 50 CEGA Cc1cccc(C(=O)NNC(=O)COc2ccccc2C)c1 2596065 GEXMWPORNATIOE-UHFFFAOYSA-N 298.342 2.143 50 50 CEGA CC(C)(O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 1754361 FHCAPRYUSAAJPD-MKMNVTDBSA-N 275.135 2.214 50 50 CEGA O=C(CCl)N[C@H]1C[C@]2(CCOC2)Oc2ccccc21 1875367886 WAWUXSHJZVEVMN-FZMZJTMJSA-N 281.739 2.024 50 50 CEGA O=C(N/N=C/c1ccccc1)c1cc([N+](=O)[O-])ccc1O 4737853 AXOXCDOGJWVZHA-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA CCOc1cc(/C=N/NC(=O)c2ccoc2C)ccc1O 228229 WTCJGLCJWHUFPX-CXUHLZMHSA-N 288.303 2.456 50 50 CEGA O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccs1 62907 NMUWNWFKRQPMAD-RYUDHWBXSA-N 286.356 2.313 50 50 CEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1F 55591 ZUUIRBNEVIQTSR-RQZCQDPDSA-N 288.326 2.249 50 50 CEGA NNC(=O)c1ccc(COc2cccc(Cl)c2)o1 2578466 TUPGVMKERGPIGO-UHFFFAOYSA-N 266.684 2.116 50 50 CEGA O=C(CCl)NCc1cc(C(F)(F)C(F)(F)F)on1 1875374910 JKIKUUHPKFXKTM-UHFFFAOYSA-N 292.591 2.184 50 50 CEGA CCOc1cccc(/C=N/NC(=O)c2ccoc2C)c1O 228154 DVYYJNYLLHWPMC-CXUHLZMHSA-N 288.303 2.456 50 50 CEGA COc1cccc(/C=N/NC(=O)c2cccc(OC)c2)c1 299837 UIWVTOHFBDWZBS-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA Cc1c(O)ccc2c1OC(N)=C(C#N)[C@H]2c1cccnc1 287270 GYWKBJWXPMFAJB-AWEZNQCLSA-N 279.299 2.314 50 50 CEGA CC1(C)[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21 101003774 HABMDFNVGDCWLC-WKXKGOSISA-N 258.317 2.315 50 50 CEGA CC(C)n1cc(C2=CCCN(C(=O)CCl)CC2)nn1 1875375177 UBMAUYREVBHXKG-UHFFFAOYSA-N 282.775 2.104 50 50 CEGA O=C(O)CCSSCCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 1875388593 HWTZWNZNIMZODF-JZYVYDRUSA-N 289.422 2.005 50 50 CEGA CC(C)(C)OC(=O)NCCSSCCC(=O)O 98213309 CIJZYVBXQKYUFA-UHFFFAOYSA-N 281.399 2.367 50 50 CEGA CCCCN(CCCC)Cc1ccc(C(=O)NN)o1 2944855 YNEBEZZMSJZKPG-UHFFFAOYSA-N 267.373 2.285 50 50 CEGA Cc1n[nH]c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 8973294 MIQATMAUOFDNCO-GFCCVEGCSA-N 270.267 2.075 50 50 CEGA C[C@@H](Cl)C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1875375807 IUJNUBFJWBFSCT-VXGBXAGGSA-N 294.782 2.125 50 50 CEGA O=C(N/N=C/c1ccco1)c1ccc(N2CCCC2=O)cc1 290984 WQISSEUMKVNWOT-GZTJUZNOSA-N 297.314 2.170 50 50 CEGA CO[C@]1(C(F)(F)F)C[C@H]2C[C@@H]1C[C@@H]2NC(=O)[C@H](C)Cl 1875374341 LGSADGXPLORBFT-OKZKDYFGSA-N 299.720 2.476 50 50 CEGA N#CCC[C@@](Br)(C#N)CBr 1850515 DHVLDKHFGIVEIP-LURJTMIESA-N 265.936 2.342 50 50 CEGA in-vitro Cc1ccc(C(=O)NNC(=O)CCCCCl)cc1 242548873 LXPDSSMFQZXKLS-UHFFFAOYSA-N 268.744 2.165 50 50 CEGA C[C@H](CCO)N(Cc1ccc(F)cc1)C(=O)CCl 1875382669 LLJIBLYURXKYFW-SNVBAGLBSA-N 273.735 2.164 50 50 CEGA O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1 130721 ZYMJTOGKZUPMEZ-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA CCOC(=O)/C(C#N)=C1/C=CN(Cc2ccccc2)C=N1 12733482 DDIKBLAOHNDEDQ-PFONDFGASA-N 281.315 2.385 50 50 CEGA Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 36783 UIDSWGMVWAPTJV-UHFFFAOYSA-N 268.345 2.213 50 50 CEGA O=C(CCc1ccccc1)NNC(=O)Cc1ccccc1 378974 HAOPKMDLZUCFMI-UHFFFAOYSA-N 282.343 2.009 50 50 CEGA CC(C)NC(=O)c1ccc(NC(=O)CCl)cc1 13324280 DJRIJPRDWHELQD-UHFFFAOYSA-N 254.717 2.002 50 50 CEGA CC(=O)N1CCCc2cc(NC(=O)CCl)ccc21 1116437911 UBAULXHOWSMLGN-UHFFFAOYSA-N 266.728 2.163 50 50 CEGA O=C(Nc1ccc(F)cc1[N+](=O)[O-])C(Cl)Cl 102234323 OTISPPZRJIBTSR-UHFFFAOYSA-N 267.043 2.476 50 50 CEGA COc1ccccc1N1CC[C@H](C)N(C(=O)CCl)CC1 1875377463 FBMQCDLHJIVYSF-LBPRGKRZSA-N 296.798 2.361 50 50 CEGA Cc1ccsc1/C=N/NC(=O)Cc1cccn1C 72852 UNHWOROYQCSSHY-NTEUORMPSA-N 261.350 2.088 50 50 CEGA COc1cccc(C(=O)NNC(=O)c2cccc(C)c2)c1 64766 HHCVDOWNPCSCDL-UHFFFAOYSA-N 284.315 2.078 50 50 CEGA COc1ccc(COC(=O)N/N=C(C)/C(C)=N\O)cc1 55120844 CSNDOAPSWUZKPK-MTMVPLOESA-N 279.296 2.147 50 50 CEGA O=C1[C@H](Br)CCN1Cc1ccccc1 67802399 JDALTJHKFDANJI-SNVBAGLBSA-N 254.127 2.182 50 50 CEGA C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CCCl 3671081 MSKNJYWBQAJGEB-VIFPVBQESA-N 266.728 2.379 50 50 CEGA O=C(CCl)NCC[C@@H]1CSc2ccccc2O1 1875367913 YOLRDWYJXPFPOZ-SECBINFHSA-N 271.769 2.285 50 50 CEGA CC[C@@](C)(NC(=O)CCl)c1nc(O)c2c(n1)CCCC2 1875374668 CAHMFLVGQSKPKS-CQSZACIVSA-N 297.786 2.041 50 50 CEGA Cc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 293009 SZGVFSMNAIARGY-RQZCQDPDSA-N 282.299 2.488 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 301017 MGEOFOSJLBJMGP-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA O=C(N/N=C1\CCSC1)c1cc(Cl)ccc1O 370397 MQRCYSCXVONNIK-MDWZMJQESA-N 270.741 2.268 50 50 CEGA O=C(Cc1ccccc1)NNC(=O)c1cccc(Cl)c1 298972 CFTSQHILSJYJLU-UHFFFAOYSA-N 288.734 2.344 50 50 CEGA CCOC(=O)c1[nH]c(CSC#N)c(C(=O)OCC)c1C 22205536 FDDNYLTWKOPVMU-UHFFFAOYSA-N 296.348 2.391 50 50 CEGA CC[C@@H](Br)C(=O)NCc1cccc(OC)c1 32920005 GCSGZSBKJAWSAW-LLVKDONJSA-N 286.169 2.485 50 50 CEGA CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CCl 216828224 MEVWIVBKIHNFRW-LBPRGKRZSA-N 297.782 2.294 50 50 CEGA O=C(CCl)NC1CC(COCc2ccccc2)C1 1875367425 ZZCUVSGSNALILP-UHFFFAOYSA-N 267.756 2.337 50 50 CEGA COc1ccc(O)c(/C=N/NC(=O)C2CCCCC2)c1 2521944 ZFCMIYZSUAIQKP-MHWRWJLKSA-N 276.336 2.431 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 1827080 NFYZZXXTHXRSJI-AWEZNQCLSA-N 299.286 2.265 50 50 CEGA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Cl)C1 1875363597 LODCCKDFQRQNKW-SDDRHHMPSA-N 288.819 2.157 50 50 CEGA N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(N)=O 213357087 OQTPNEGZCYQZRZ-RAXLEYEMSA-N 255.321 2.069 50 50 CEGA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCl 4342461 NYTALCTUPGWLQZ-OCCSQVGLSA-N 278.783 2.368 50 50 CEGA C/C(=N/NC(=O)c1ccccc1N)c1cccs1 4946812 ZHMILGLFYQWAER-DHDCSXOGSA-N 259.334 2.484 50 50 CEGA CCOc1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 8836250 NOLSRWGQEUWOSC-LICLKQGHSA-N 298.346 2.450 50 50 CEGA CC(C)Cn1c(=O)n(CCCl)c(=O)c2ccccc21 169425889 CRIIIGCKUHWBJV-UHFFFAOYSA-N 280.755 2.058 50 50 CEGA C[C@@H]1CC2=C(C(=O)O1)[C@@H](c1cccs1)C(C#N)=C(N)O2 48740 QIGADDJGKRISIF-RDDDGLTNSA-N 288.328 2.145 50 50 CEGA Cc1cc(C(=O)NN)n(Cc2cc(Cl)ccc2Cl)n1 2520652 GLQHJVVKIHFQBC-UHFFFAOYSA-N 299.161 2.150 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CCCC3 254393109 PQOFCACDJUIWCA-ZNNLQBODSA-N 256.301 2.235 50 50 CEGA Cc1ccc([C@H](O)CCN(C)C(=O)CCl)s1 1875376411 WEZRXBNEDYSORY-SECBINFHSA-N 261.774 2.177 50 50 CEGA CP(C)(=O)[C@H]1CCCC[C@H]1NC(=O)CCl 1875375420 BRRBOCFIKUULQW-BDAKNGLRSA-N 251.694 2.275 50 50 CEGA CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)c(F)ccc21 169989931 CQVAQTRJECVDQH-UHFFFAOYSA-N 293.223 2.314 50 50 CEGA COc1ccc(N(C)NC(=O)Cc2ccccc2)cc1 248457 HUHRHPSFVCZCMS-UHFFFAOYSA-N 270.332 2.405 50 50 CEGA biogenic Cc1ccc(CNC(=O)[C@@H](C)Br)cc1 32920013 OVSCNJPOWMWPND-SECBINFHSA-N 256.143 2.395 50 50 CEGA CCOc1ccccc1/C=N/NC(=O)c1cccnc1 227599 AYPOKFKBPYWTTL-GZTJUZNOSA-N 269.304 2.244 50 50 CEGA Cc1ccc2c(c1)C(=O)O[C@@H](CBr)C2 105642959 UYFFEAWEWCZRQP-SECBINFHSA-N 255.111 2.471 50 50 CEGA CC[C@H](Br)C(=O)NCc1ccccc1 32920011 SPCUANDFINTRDY-JTQLQIEISA-N 256.143 2.476 50 50 CEGA OC(CBr)(C(F)(F)F)C(F)(F)F 16082648 XMGSMOCOWOKNNK-UHFFFAOYSA-N 260.959 2.237 50 50 CEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 3008959 LEURKJHZWRCLNP-WOJGMQOQSA-N 295.342 2.392 50 50 CEGA C[C@@H](Cl)C(=O)N[C@@H]1CCc2ccccc2OC1 1875378144 WIUODIBCTGQONM-MWLCHTKSSA-N 253.729 2.124 50 50 CEGA C[C@H](Cl)C(=O)N1CC(O)(c2cccc3ccccc23)C1 1875376014 LTDPPIQGMGVMPJ-NSHDSACASA-N 289.762 2.497 50 50 CEGA O=C(N/N=C/c1ccc(F)cc1)c1ccccc1O 299405 YFOCJNYTHFEFCB-CXUHLZMHSA-N 258.252 2.295 50 50 CEGA O=C(NCCCl)c1cccc(Br)c1 19783009 WTORKQARSASQFO-UHFFFAOYSA-N 262.534 2.418 50 50 CEGA C=CCn1c([P@](=O)(O)c2ccccc2)nc2ccccc21 42679 YFQSDCWRPWUCRR-UHFFFAOYSA-N 298.282 2.444 50 50 CEGA O=C(NNC(=O)[C@@H]1CC12CCC2)Nc1ccccc1 342698 UILPZRTUSYCTFU-NSHDSACASA-N 259.309 2.030 50 50 CEGA O=c1cc(CCl)nc(-c2ccc(F)c(F)c2)[nH]1 109597460 KCIAXIGBRZLDAK-UHFFFAOYSA-N 256.639 2.454 50 50 CEGA C[C@@H](Cl)C(=O)N1CC[C@H](Cc2ccncc2)C1 1875377578 HOOKTBHZBZYOHA-ZYHUDNBSSA-N 252.745 2.100 50 50 CEGA COc1cc(C)cc2c1OCC[C@H]2NC(=O)CCl 1875364280 MZGCQUUKXNMZOB-SNVBAGLBSA-N 269.728 2.182 50 50 CEGA Cc1ccn(-c2ccccc2CNC(=O)[C@@H](C)Cl)n1 1875364541 VDESYSPGHZAHLI-LLVKDONJSA-N 277.755 2.424 50 50 CEGA Cc1cc(C)cc(OCC(=O)N/N=C/c2ccco2)c1 175051 APLDVPMKGAETET-CXUHLZMHSA-N 272.304 2.426 50 50 CEGA Cc1ccc(NC(=S)NNC(=O)c2cccnc2)cc1 5394349 HFJKCFUJOKKLHE-UHFFFAOYSA-N 286.360 2.021 50 50 CEGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccnc1 292700 PEJCOUXYLZBIGG-CYBMUJFWSA-N 299.330 2.116 50 50 CEGA CCSC1=C(C#N)C2(CCCC2)[C@H](C#N)C(=O)N1 8996082 WDMKBCWWFHWATC-SECBINFHSA-N 261.350 2.305 50 50 CEGA COc1ccc(C)cc1Nc1nc(N)nc(CCl)n1 85389087 MSZIVOVYJZBIFJ-UHFFFAOYSA-N 279.731 2.253 50 50 CEGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccccc1O 97743293 LKLJRGKJUSGKTF-MHWRWJLKSA-N 286.335 2.393 50 50 CEGA CCOC(=O)C[C@@H](NC(=O)CCl)c1ccccc1OC 1616016498 PBCQRPCTURXDFO-LLVKDONJSA-N 299.754 2.045 50 50 CEGA O=C(N/N=C/c1ccccc1)c1cc(C2CC2)n[nH]1 9045020 KUUMYKUMOSMTCK-OQLLNIDSSA-N 254.293 2.051 50 50 CEGA O=C(CCl)N[C@@H]1c2ccccc2CC[C@@H]1N1CCCC1 1875367742 JJWXIYOBONFCFR-GOEBONIOSA-N 292.810 2.493 50 50 CEGA O=C1[C@H](Br)C[C@H]2CO[C@H](c3ccccc3)N12 952958980 UHAUKCUMZSWGEC-HOSYDEDBSA-N 282.137 2.080 50 50 CEGA Cc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1 230865 GWWOPOHCBNIIAG-LFIBNONCSA-N 255.321 2.026 50 50 CEGA NNC(=O)CCCCCCCCCCC[N+](=O)[O-] 45068380 UDFHJZXSUJMEHH-UHFFFAOYSA-N 259.350 2.154 50 50 CEGA C[C@@H](Cl)C(=O)NC1(c2ccccc2)CCOCC1 1875363950 FQEYKPUNAMSQTB-LLVKDONJSA-N 267.756 2.436 50 50 CEGA Cc1[nH]nc2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 5126351 VCYNMKHKCLKODE-LBPRGKRZSA-N 270.267 2.075 50 50 CEGA Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1 27655 CAPKWGXKALABBY-UHFFFAOYSA-N 286.360 2.021 50 50 CEGA O=C(CCl)Nc1ccc(I)cc1 152932 WIUVQCIRRAAPAX-UHFFFAOYSA-N 295.507 2.469 50 50 CEGA O=C(NNC(=O)c1ccccc1Cl)c1ccco1 494549 OVWVDAHLLKPNCL-UHFFFAOYSA-N 264.668 2.008 50 50 CEGA NNC(=O)c1oc2ccc(Cl)cc2c1-n1cccc1 390825040 SVZCTEASXLSTAC-UHFFFAOYSA-N 275.695 2.480 50 50 CEGA CC(C)(C)OC(=O)NNc1ccc(C(=O)O)cc1 14632647 FRMCTSPNGUPJRR-UHFFFAOYSA-N 252.270 2.236 50 50 CEGA in-vitro COc1cccc(/C(C)=N/NC(=O)Cc2cccn2C)c1 12362390 HRJAJSMFGKTOJP-SFQUDFHCSA-N 285.347 2.117 50 50 CEGA OB(O)c1ccccc1-n1c2ccccc2c2ccccc21 201283913 MBWDMWMXFNHYLL-UHFFFAOYSA-N 287.127 2.464 50 50 CEGA Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 273715 BFCWNLIQDPWUQA-RQZCQDPDSA-N 282.299 2.488 50 50 CEGA COC(=O)[C@@H](Br)CCCCBr 3074864 BMSYCTAKENEKDW-LURJTMIESA-N 287.979 2.488 50 50 CEGA CC(/C=N/NC(=O)Cc1cccn1C)=C\c1ccco1 12362164 MPVMJLIGSOLTPH-WBJPGKSWSA-N 271.320 2.366 50 50 CEGA O=C(NNC(=S)Nc1ccccc1)c1cccs1 383326 HNOZXLPXQCPGFX-UHFFFAOYSA-N 277.374 2.380 50 50 CEGA O=S1(=O)C[C@H](C(Cl)(Cl)Cl)[C@@H](Cl)C1 3076803 PXYHLYBTGRJRCO-IMJSIDKUSA-N 271.980 2.009 50 50 CEGA C/C(=N/NC(=O)COc1ccccc1)c1ccccc1O 100206011 NFISRTBAASBHSA-ATVHPVEESA-N 284.315 2.311 50 50 CEGA O=S(=O)(c1ccccc1)[C@@H]1[C@H]2[C@H]3C[C@H]1[C@@H](Cl)[C@@H]23 252428093 PTGDUGPVEWYOLE-NURVWSNCSA-N 268.765 2.332 50 50 CEGA CC(=O)O[C@H](C)OC(=O)Oc1ccc([N+](=O)[O-])cc1 118381377 LUJRIWGEPQDLNV-QMMMGPOBSA-N 269.209 2.019 50 50 CEGA CO[Si](CCCNc1ccccc1)(OC)OC 169745000 KBJFYLLAMSZSOG-UHFFFAOYSA-N 255.390 2.367 50 50 CEGA in-vitro Cc1ccccc1/C=N/NC(=O)[C@H]1COc2ccccc2O1 291029 NUMAOMQUAIPBIT-VHWUNXFSSA-N 296.326 2.285 50 50 CEGA COc1ccccc1/C=N/NC(=O)COc1ccccc1 497880 VZSHNMCPZYNKME-GZTJUZNOSA-N 284.315 2.224 50 50 CEGA CCOc1ccc(NC(=O)CBr)cc1 5713444 TZIRDACISGFECB-UHFFFAOYSA-N 258.115 2.419 50 50 CEGA O=C(Cc1cccs1)N/N=C/c1cccc(O)c1 548551 KHLYASCATBZOQV-NTEUORMPSA-N 260.318 2.147 50 50 CEGA O=C(NNC(=S)Nc1ccccc1)c1ccccc1O 3121882 AZCYPCFHNBZJNB-UHFFFAOYSA-N 287.344 2.024 50 50 CEGA Cc1occc1C(=O)N/N=C/c1ccc(C(=O)O)cc1 232387 DYRVSNIYOWNPBW-OVCLIPMQSA-N 272.260 2.050 50 50 CEGA C[C@@H](Cl)C(=O)NCCc1csc(N2CCCC2)n1 1875363683 RTEBVUDVFLVAKC-SECBINFHSA-N 287.816 2.029 50 50 CEGA CC1(C)C(=O)N(c2ccc(F)cc2)CCN1C(=O)CCl 1875367735 IVEOGMPRQJIDNV-UHFFFAOYSA-N 298.745 2.018 50 50 CEGA COc1cc(/C=C(\C#N)C(=O)O)cc(Br)c1O 5675354 ZDOPTQVLVYWPMK-FARCUNLSSA-N 298.092 2.155 50 50 CEGA CC(C)(C)[Si](C)(C)n1ccc2cc(B(O)O)ccc21 169745445 PPFZQIOBIOETAS-UHFFFAOYSA-N 275.233 2.174 50 50 CEGA CC(=O)Nc1cccc(NC(=O)C(Cl)Cl)c1 292272 VCPMEJULICGTFH-UHFFFAOYSA-N 261.108 2.387 50 50 CEGA CCOc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1 73630 ZAQPMQSOMITXMO-SFQUDFHCSA-N 285.347 2.117 50 50 CEGA CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cn1 355715 ICJHACYZBDPMJC-VIZOYTHASA-N 276.727 2.320 50 50 CEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 43659 HXRGBTONNGCADT-ZDUSSCGKSA-N 288.278 2.080 50 50 CEGA N#Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 245238443 OZAZYIZGOWUBOX-VFPARUJBSA-N 267.332 2.445 50 50 CEGA C[C@H](Cl)C(=O)Nc1ccc2sc(=O)n(C)c2c1 1875366951 CRHAIXIQTPTPPR-LURJTMIESA-N 270.741 2.166 50 50 CEGA O=C(CCl)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 1319675107 UZCFTKUMMPAGRW-DZGCQCFKSA-N 289.766 2.467 50 50 CEGA CCN(CC)c1ccc(/C=N/NC(=O)C2CC2)cc1 437863 RFVGQWJXMGEDFW-LFIBNONCSA-N 259.353 2.393 50 50 CEGA CCOC(=O)NNC(=O)Nc1ccc(Cl)cc1C 2165544 HUWVJGQEUQOAEP-UHFFFAOYSA-N 271.704 2.431 50 50 CEGA C[C@@H](Br)CCN1C(=O)c2ccccc2C1=O 3124795 UAGMPSBTOFTTGY-MRVPVSSYSA-N 282.137 2.456 50 50 CEGA C[C@H](O)CN(Cc1ccc(Cl)c(F)c1)C(=O)CCl 1875382355 YTPKBFXYANNOKW-QMMMGPOBSA-N 294.153 2.427 50 50 CEGA O=C(N/N=C/c1ccccc1)c1cccc([N+](=O)[O-])c1 242833 PROQXPFZMXHCFX-XNTDXEJSSA-N 269.260 2.359 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1O)[C@H]1C[C@@H]1c1ccccc1 342642 JXJKGNIHPNFIOL-MSPMVYFSSA-N 296.326 2.352 50 50 CEGA C[C@@H]1CC2=C(C(=O)O1)[C@H](c1cccs1)C(C#N)=C(N)O2 48742 QIGADDJGKRISIF-HQJQHLMTSA-N 288.328 2.145 50 50 CEGA CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 43569 RDXGLCXVOZWOEW-UHFFFAOYSA-N 298.371 2.303 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1ccc(O)cc1 255058 XANKWYYKEREIDY-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA O=C(NNC(=O)c1cccs1)c1coc(C2CCC2)n1 2325749434 UGYZKKZJBBAMAY-UHFFFAOYSA-N 291.332 2.078 50 50 CEGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(F)cc1 328514 COKULEMWHPDYJD-UHFFFAOYSA-N 272.308 2.044 50 50 CEGA Cc1occc1C(=O)NNC(=O)c1ccc(Cl)cc1 436025 LMWDGYCKACVHCW-UHFFFAOYSA-N 278.695 2.316 50 50 CEGA O=[N+]([O-])c1ccc(C(F)(F)F)c(S(=O)(=O)F)c1 139940096 JDXGEGDHKJGVMI-UHFFFAOYSA-N 273.163 2.272 50 50 CEGA C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccoc1 5605685 CHXRSIWVENCWML-GZTJUZNOSA-N 282.303 2.170 50 50 CEGA CC(C)(C)OC(=O)NNc1ncc(Br)cn1 95346849 QWJRMGBFMCHITC-UHFFFAOYSA-N 289.133 2.091 50 50 CEGA C[C@H](NC(=O)CCl)c1nc(Cc2ccccc2)no1 1320465868 PZDVKVXXDCDRLT-VIFPVBQESA-N 279.727 2.076 50 50 CEGA O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccs1 4108315 VPCRWILHNVGHHZ-UHFFFAOYSA-N 263.278 2.413 50 50 CEGA C/C(CC(C)C)=N\NC(=O)c1cc(O)cc(O)c1 4964114 ZWJHVNXPBGGBKI-NTEUORMPSA-N 250.298 2.250 50 50 CEGA Cc1cc(C(=O)N/N=C/c2ccc(N(C)C)o2)cs1 373948 MLTWEYZZORFWHY-VGOFMYFVSA-N 277.349 2.479 50 50 CEGA CC1(C)OB(c2cccc(C(=O)Cl)c2)OC1(C)C 202312426 PYUUKIHBIYIYIF-UHFFFAOYSA-N 266.533 2.365 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1 143225 JAMQLJVXPNHYPI-AWEZNQCLSA-N 254.289 2.357 50 50 CEGA CC(=O)Nc1ccccc1NC(=O)C(Cl)Cl 458267 KBACKLQZODCJMS-UHFFFAOYSA-N 261.108 2.387 50 50 CEGA O=C(CC1CCCC1)NNC(=O)c1cccs1 6451911 QFEJIYUJGBADSY-UHFFFAOYSA-N 252.339 2.089 50 50 CEGA NNC(=O)c1ccc(Sc2ccc(Cl)cc2)nc1 1403201 KHIFHMUJBKTELS-UHFFFAOYSA-N 279.752 2.490 50 50 CEGA NNC(=O)c1ccc(OCc2cccc(F)c2)cc1 170452 JBMGTWZQHYDEAX-UHFFFAOYSA-N 260.268 2.008 50 50 CEGA N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)O 584907199 UCWYDJFONZJNJY-XFFZJAGNSA-N 267.244 2.260 50 50 CEGA C[C@](O)(C(=O)N/N=C/c1ccccc1)c1ccccc1 296703 LMUYKTVTHJIDKQ-QRYYFKOISA-N 268.316 2.044 50 50 CEGA O=C(CCl)NNC(=O)Nc1ccc(Cl)cc1Cl 952995648 SVVGAPFMFDFGNX-UHFFFAOYSA-N 296.541 2.385 50 50 CEGA CCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 143049 QLJMOOWZAXXRHH-UHFFFAOYSA-N 284.315 2.160 50 50 CEGA O=C(/C=C/c1ccccc1)NNC(=O)CCc1ccccc1 2900818 DBRIOGGFWXMPHA-ACCUITESSA-N 294.354 2.480 50 50 CEGA O=C1C[C@@H](C2c3ccccc3C(=O)c3ccccc32)C(=O)O1 101016188 NVKFFQQWVARVAI-AWEZNQCLSA-N 292.290 2.453 50 50 CEGA N#C/C(=C\c1ccc(Br)cc1Cl)C(N)=O 174052058 FDVHAHHITDFCLG-XVNBXDOJSA-N 285.528 2.495 50 50 CEGA C[C@H](Cl)C(=O)N1CCCC[C@H]1c1cnn(C)c1 1875377678 KPSHTEPRJTWRRR-ONGXEEELSA-N 255.749 2.101 50 50 CEGA Cc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 289094 CAFTXMJBLUSMJK-HNRFISLBSA-N 270.332 2.197 50 50 CEGA CCOC(=O)[C@H](Br)C(=O)c1ccccc1 1673540 LYOCLQBWSNCBBN-SECBINFHSA-N 271.110 2.196 50 50 CEGA in-vitro C/C(Cc1ccccc1)=N\NC(=O)c1n[nH]c2c1CCC2 4696872 GBAJGFMPIGSSIW-GZTJUZNOSA-N 282.347 2.247 50 50 CEGA CN(C)c1ccc(C(=O)N/N=C\c2ccccc2O)cc1 4773947 AGIZWGHZSYMWEP-BOPFTXTBSA-N 283.331 2.222 50 50 CEGA O=C(CBr)NCc1cccc(Cl)c1 41736738 YOCSUVXQTZQTDS-UHFFFAOYSA-N 262.534 2.351 50 50 CEGA COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2)c1 12419814 AWLAZZMZRRTIKC-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1 299534 YAFMQSSTNKUBAJ-UHFFFAOYSA-N 297.358 2.454 50 50 CEGA O=C(N/N=C\c1ccc2c(c1)CCC2)c1cccnc1 37246049 AEPGWCLQXPDQLL-ZDLGFXPLSA-N 265.316 2.334 50 50 CEGA O=C(CCl)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 1319675110 UZCFTKUMMPAGRW-HIFRSBDPSA-N 289.766 2.467 50 50 CEGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccnc1 435762 OFPPFCRNHIREGI-LICLKQGHSA-N 273.723 2.428 50 50 CEGA CCOc1cc(/C=C(\C#N)c2[nH]nc(N)c2C#N)ccc1O 8569191 PCQZHJBMIAHXRZ-BJMVGYQFSA-N 295.302 2.032 50 50 CEGA O=C(N/N=C/c1cccc(Cl)c1)c1cn2ccncc2n1 43761371 VMVXFDKNPGHVKR-REZTVBANSA-N 299.721 2.147 50 50 CEGA CCc1cc(C(=O)OC)c(NC(=O)CCl)s1 2569091 HUZMUIMUPSPNFU-UHFFFAOYSA-N 261.730 2.274 50 50 CEGA CC1(C)C(=O)Nc2ccc(C3(CCl)OCCO3)cc21 170625781 JYUNTQZFRNUHTR-UHFFFAOYSA-N 281.739 2.355 50 50 CEGA CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)NN 2789301 CTVIXRSYZVKNSR-JTQLQIEISA-N 256.733 2.104 50 50 CEGA O=C(N/N=C/c1ccccc1O)c1cccc(F)c1 298662 WTWVVIBXTUCBBW-CXUHLZMHSA-N 258.252 2.295 50 50 CEGA C[C@@H](Cl)C(=O)Nc1cc2c(cnn2C)nc1C(F)F 1875376380 VDDXSHYETSVMKF-RXMQYKEDSA-N 288.685 2.472 50 50 CEGA O=C(NN=Cc1ccc2c(c1)CCC2)c1ccncc1 16980476 FBRHTQYVXDXPMH-UHFFFAOYSA-N 265.316 2.334 50 50 CEGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccsc1 5402554 OJLJQJCDAKRCEP-FRKPEAEDSA-N 284.344 2.248 50 50 CEGA CC(C)[C@H](N(CC1CC1)C(=O)CCl)C(C)(C)O 1875382024 NWZZQPTUQNAPAT-LBPRGKRZSA-N 261.793 2.259 50 50 CEGA COC(=O)N[C@H](OCCCl)C(Cl)(Cl)Cl 2141147 NYLYNQKAIJUDOX-SCSAIBSYSA-N 284.954 2.294 50 50 CEGA CC(C)(C)OC(=O)CCOCCBr 83254084 KRGOEVTUVNSLIG-UHFFFAOYSA-N 253.136 2.130 50 50 CEGA in-vitro Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 1472139 SURIMHYAUNFWRO-ZDUSSCGKSA-N 297.289 2.041 50 50 CEGA O=C(CCl)N(Cc1cn2ccccc2n1)C1CC1 1875377248 WKYKUNYZWIFFMG-UHFFFAOYSA-N 263.728 2.064 50 50 CEGA Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 1472140 SURIMHYAUNFWRO-CYBMUJFWSA-N 297.289 2.041 50 50 CEGA NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12 5776919 JMYZQFFBXDIOSP-UHFFFAOYSA-N 279.299 2.211 50 50 CEGA Cc1[nH]nc2c1[C@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 550761 PKNANNBHWJRMEK-BXKDBHETSA-N 256.309 2.244 50 50 CEGA C[C@@H]1[C@H](O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 245245183 BJDCWCLMFKKGEE-JIQQANBZSA-N 284.352 2.187 50 50 CEGA NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1 168352 YJCHFYZYBSUQDQ-UHFFFAOYSA-N 251.289 2.438 50 50 CEGA O=C(CCc1ccc2ccccc2c1O)NNC(=O)C1CC1 294268797 GUAGLSBSCLOFMZ-UHFFFAOYSA-N 298.342 2.035 50 50 CEGA O=C(CCl)N1CCSc2cc([N+](=O)[O-])ccc21 95644363 FICCRNLYYKLDQS-UHFFFAOYSA-N 272.713 2.272 50 50 CEGA CC(C)[C@@H](NC(=O)[C@@H](C)Cl)C1(CO)CC=CC1 1875379992 BQESNPWDAJJLPI-GHMZBOCLSA-N 259.777 2.083 50 50 CEGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(O)c(O)c1 245227020 WJCRLEXLLLXZDX-BACMDPKWSA-N 288.347 2.374 50 50 CEGA C[C@H](Cl)C(=O)NCc1ccc2c(n1)CCCC2 1875366381 FQCOOILFXWRICO-VIFPVBQESA-N 252.745 2.204 50 50 CEGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccoc1 207978 GWALCIYSGQYUMS-GFCCVEGCSA-N 288.303 2.314 50 50 CEGA COc1cc(NC(=O)C(Cl)Cl)cc(OC)c1 2874180 CXYXGWUJRSQQGX-UHFFFAOYSA-N 264.108 2.446 50 50 CEGA N#CC(NC(=O)COc1ccccc1F)=C(Cl)Cl 1775975128 FCNDDXILYLEQQY-UHFFFAOYSA-N 289.093 2.491 50 50 CEGA C/C(=N\NC(=O)Cc1ccccc1)c1ccncc1 13957734 GSHZSXGYTNHEDJ-SFQUDFHCSA-N 253.305 2.165 50 50 CEGA CCCCCCCCC(=O)c1ccc(B(O)O)cc1 675050757 UDSDQFURDMVPQW-UHFFFAOYSA-N 262.158 2.300 50 50 CEGA CC(C)c1cc(C(=O)N/N=C/c2ccccc2)[nH]n1 8567057 AUDZHKYEKFXTJF-OQLLNIDSSA-N 256.309 2.297 50 50 CEGA CC(C)(C)[Si](C)(C)OCC[C@H]1C[C@@H]1C(=O)NN 601013401 UDWJBXCBJIAFCL-UWVGGRQHSA-N 258.438 2.024 50 50 CEGA C[C@H](Br)[C@H](Br)/C=C/C(=O)O 4800341 CPTJDEYJAQERHL-CSCGYKLNSA-N 271.936 2.174 50 50 CEGA CC(C)(C)[Si](C)(C)OCC[C@H]1C[C@H]1C(=O)NN 601013402 UDWJBXCBJIAFCL-VHSXEESVSA-N 258.438 2.024 50 50 CEGA O=C(CCl)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 1319675113 UZCFTKUMMPAGRW-UKRRQHHQSA-N 289.766 2.467 50 50 CEGA COC(=O)CCc1c(C(=O)CCl)[nH]c(C)c1C(C)=O 2325904098 ZENPSJHZDUGLDC-UHFFFAOYSA-N 285.727 2.053 50 50 CEGA CCOC(=O)[C@](C)(Br)CBr 1690410 ZYTBREBYDYHRRW-ZCFIWIBFSA-N 273.952 2.098 50 50 CEGA C[C@@]1(C(=O)N/N=C/c2cccnc2)CC1(Cl)Cl 2745748 QZDAXTJITARKAO-JFEKIERCSA-N 272.135 2.116 50 50 CEGA Cc1nn2c(nc1=O)-c1ccccc1N[C@H]2C(Cl)Cl 1775971633 XLADEMSXZIDVFC-LLVKDONJSA-N 297.145 2.342 50 50 CEGA CCc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 19640646 AUPGLSWGHJQOJG-UHFFFAOYSA-N 282.372 2.467 50 50 CEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccs1 43735 RUUFWFAJRDQJBT-LLVKDONJSA-N 276.317 2.003 50 50 CEGA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCl 3618081 NYTALCTUPGWLQZ-JSGCOSHPSA-N 278.783 2.368 50 50 CEGA biogenic O=C(CCl)N1CCOCC[C@H]1c1ccccc1 1875369856 MJHBSFBKTPKSCN-LBPRGKRZSA-N 253.729 2.215 50 50 CEGA O=C(CBr)c1ccc2c(c1)OCCO2 3887208 CSSHRKYOZTZFCX-UHFFFAOYSA-N 257.083 2.035 50 50 CEGA in-vitro CC(C)(C)OC(=O)N1CCO[C@H](CBr)C1 82046918 RLXCSEPIBOWMOJ-MRVPVSSYSA-N 280.162 2.017 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccco2)cc1OC 242611 DUBMAOPSHFSFAX-OQLLNIDSSA-N 274.276 2.061 50 50 CEGA O=C(N/N=C/c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 4348987 YFGOGDHLFDCVHJ-WCOBSMKMSA-N 265.316 2.335 50 50 CEGA CCO[C@@H]1C[C@H](NC(=O)[C@H](C)Cl)[C@H]1Oc1ccccc1 1875380511 RCLDZGDVDRSATD-SCUASFONSA-N 297.782 2.355 50 50 CEGA COc1ccc2c(c1)[C@@H](NC(=O)CCl)[C@@H](OC)CC2 1875376627 DJYGKECSCKRRFN-GXTWGEPZSA-N 283.755 2.053 50 50 CEGA CC(C)(C)OC(=O)CCOCCOCCBr 83254131 UOYAYHGUAATLSG-UHFFFAOYSA-N 297.189 2.146 50 50 CEGA in-vitro C[C@H]1CCc2c(sc(NC(=O)CCl)c2C(N)=O)C1 873990 LHOIRLRBNWOTOD-LURJTMIESA-N 286.784 2.149 50 50 CEGA CCc1ccc(OCc2ccc(C(=O)NN)o2)cc1 2578468 LPFQHZSZHGEGMF-UHFFFAOYSA-N 260.293 2.025 50 50 CEGA OB(O)c1cccc(-c2nc(-c3ccccc3)cs2)c1 616567981 RINVBKREDQGAQT-UHFFFAOYSA-N 281.145 2.157 50 50 CEGA Cn1c(CNC(=O)CCl)nc2cccc(Cl)c21 1875377366 CXKCNMIUGKNYKC-UHFFFAOYSA-N 272.135 2.082 50 50 CEGA O=C(Nc1cnn(-c2ncccc2Cl)c1)[C@@H](F)Cl 2325897759 HOFDDPQRXKOHQF-MRVPVSSYSA-N 289.097 2.394 50 50 CEGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 43078 AIVRDDXFJPHMMT-AWEZNQCLSA-N 294.310 2.475 50 50 CEGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccs1 2568871 DHMSEXVRORPXGB-OQLLNIDSSA-N 287.344 2.145 50 50 CEGA O=C(N/N=C1/C(O)=Nc2ccccc21)c1ccccc1O 6576252 TZCYYNKGRVCBOH-UHFFFAOYSA-N 281.271 2.128 50 50 CEGA CCC(CC)CN(C(=O)CCl)[C@@H]1CC[C@H](C(N)=O)C1 1875382642 KPUVIJSPVCKHHR-NWDGAFQWSA-N 288.819 2.144 50 50 CEGA COc1ccc(/C=C2/C(=O)ON=C2CCl)cc1OC 34926711 BQMBVULDHZGTDB-WEVVVXLNSA-N 281.695 2.239 50 50 CEGA CC1(C)[C@]2(C)CC[C@@]1(Br)C(=O)OC2=O 95676807 RYWWJLPKKKYWSY-NXEZZACHSA-N 261.115 2.030 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 1875363920 DOGYIPAWXHFIEH-GARJFASQSA-N 255.749 2.110 50 50 CEGA C/C(=N\NC(=O)c1cccs1)c1cccc(N)c1 12343257 PMLFYBIRTNZFGK-OQLLNIDSSA-N 259.334 2.484 50 50 CEGA CC1=C(C(=O)OC(C)C)[C@H](c2ccco2)C(C#N)=C(N)O1 52572 SZSMLDQVZQESLF-ZDUSSCGKSA-N 288.303 2.313 50 50 CEGA NNC(=O)OCC1c2ccccc2-c2ccccc21 57596 YGCGPEUVGHDMLO-UHFFFAOYSA-N 254.289 2.399 50 50 CEGA O=C(Nc1ccc2c(c1)OCCO2)C(Cl)Cl 4702876 YVDLOZXXYDELRZ-UHFFFAOYSA-N 262.092 2.200 50 50 CEGA O=C(O)c1ccc(/C=N/NC(=O)c2cccs2)cc1 232473 LJIWRKOXCXBRLS-RIYZIHGNSA-N 274.301 2.210 50 50 CEGA C[C@H](Cl)C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1875375805 IUJNUBFJWBFSCT-NWDGAFQWSA-N 294.782 2.125 50 50 CEGA CCOc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1 4863831 PCOMGOJVUYOLJT-UHFFFAOYSA-N 258.661 2.171 50 50 CEGA Cc1cc(C)n(CC2CCN(C(=O)[C@@H](C)Cl)CC2)n1 1875364195 JQECROSBMYCVNP-GFCCVEGCSA-N 283.803 2.366 50 50 CEGA CCC[C@H](O)CN(Cc1cccs1)C(=O)CCl 1875381583 ABXWPFSQBDGGKB-JTQLQIEISA-N 275.801 2.477 50 50 CEGA O=C(Cc1cccs1)N/N=C/c1ccc(O)cc1 2704683 FMHMAAASZKXNIL-NTEUORMPSA-N 260.318 2.147 50 50 CEGA O=C(N/N=C/c1cccc(O)c1)C1[C@H]2CCCC[C@H]12 100311353 FLEGVTXOINSDOL-CSBKXELUSA-N 258.321 2.279 50 50 CEGA C[C@@H](c1ccccc1)N1C[C@H](C(=O)Cl)CC1=O 33435321 GLQDYQMUQCZQTC-GXSJLCMTSA-N 251.713 2.362 50 50 CEGA NNC(=O)c1cc2c(Br)cccc2s1 238565802 AFXJWZPGUHDBPO-UHFFFAOYSA-N 271.139 2.267 50 50 CEGA Cc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1 76723 JVHADLOZLAYVGX-OQLLNIDSSA-N 287.275 2.189 50 50 CEGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 76494 IRKNJDSAWPLYSG-MRXNPFEDSA-N 293.326 2.496 50 50 CEGA O=C([C@H](F)Cl)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 2325898275 YRZIMOMJZKQBQV-VWYCJHECSA-N 275.751 2.329 50 50 CEGA CCCCC(=O)NNC(=O)COc1ccc(Cl)cc1 2860054 APNXUAVATQUGIF-UHFFFAOYSA-N 284.743 2.056 50 50 CEGA NNC(=O)CCn1c2ccccc2c2ccccc21 3878926 OLNLOSMKTBCBJL-UHFFFAOYSA-N 253.305 2.175 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1ccccc1OC 2165347 CACILLJLVMDISL-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA CCOC(=O)CCC[C@@H](Br)C(=O)OCC 34128594 BORVABMIWYCBSC-MRVPVSSYSA-N 281.146 2.046 50 50 CEGA CO[C@H](C(=O)N/N=C/c1ccccc1O)c1ccccc1 286348 UYCQVBUZGMSBAI-VUVCFOEZSA-N 284.315 2.230 50 50 CEGA COc1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)Cl 4600258 CKZAWNXHZZDIJL-UHFFFAOYSA-N 279.079 2.346 50 50 CEGA CC(C)(C)OC(=O)NC1CC(CCNC(=O)CCl)C1 1875369653 AENDDCOGWUFXPG-UHFFFAOYSA-N 290.791 2.035 50 50 CEGA CC(C)=CC(=O)Nc1cccc(NC(=O)NN(C)C)c1 408515216 GWPSOZKVONJYPG-UHFFFAOYSA-N 276.340 2.189 50 50 CEGA CCOCCCNC(=O)/C(C#N)=C\c1ccc2oncc2c1 585086273 CHXKASZONYOLMF-JYRVWZFOSA-N 299.330 2.278 50 50 CEGA COc1cccc(N(C)NC(=O)Cc2ccccc2)c1 15635714 YUUJSGRMPNOCBZ-UHFFFAOYSA-N 270.332 2.405 50 50 CEGA COc1ccccc1C(=O)N/N=C/c1ccccc1 2165345 AUEVLLICBUXALM-LFIBNONCSA-N 254.289 2.459 50 50 CEGA O=C(/C=C/NNC(=O)c1ccccc1O)c1ccccc1 2893262 WEKMFUNHZNAELD-ZHACJKMWSA-N 282.299 2.023 50 50 CEGA O=C(COc1ccccc1)N/N=C1\CCOc2ccccc21 6581441 PPOSPXPBPGEHDV-OBGWFSINSA-N 296.326 2.368 50 50 CEGA CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1 61328 PNEMHYMYETUTDJ-GZTJUZNOSA-N 269.304 2.244 50 50 CEGA Cc1ccc(F)c(N2CCC(NC(=O)CCl)CC2)c1 1875377534 GKWXGLFAAPAHEA-UHFFFAOYSA-N 284.762 2.458 50 50 CEGA O=C(NCc1ccccc1)C1(C2(CCl)OCCO2)CC1 1592055742 CNWXGNPUOWMVKC-UHFFFAOYSA-N 295.766 2.065 50 50 CEGA Cc1[nH]nc2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 18142586 JUKGOVSNHDRQSS-LBPRGKRZSA-N 270.267 2.075 50 50 CEGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 4103238 TZQYCHJMTHOIRS-ZDUSSCGKSA-N 266.304 2.245 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1CCO[C@H](c2cccnc2)C1 1875378287 YVCISZHFYZZODX-WCQGTBRESA-N 268.744 2.045 50 50 CEGA CC(C)c1cc(C(=O)N/N=C/c2cccs2)[nH]n1 6186913 MCUCQTVFUNFFKB-NTUHNPAUSA-N 262.338 2.359 50 50 CEGA CCOC(=O)c1cnc(SCC)nc1SC#N 393597 GLDYLBKSTPMITK-UHFFFAOYSA-N 269.351 2.338 50 50 CEGA Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 8973293 MIQATMAUOFDNCO-LBPRGKRZSA-N 270.267 2.075 50 50 CEGA Cn1nccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 2801092 NCFXTBQZJPFPTK-VIZOYTHASA-N 297.145 2.491 50 50 CEGA C[C@@H](Cl)C(=O)N(c1ccccc1)[C@@H]1CCOC1 1875377756 MWFXESXYYKAINF-ZYHUDNBSSA-N 253.729 2.436 50 50 CEGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 109151 YCWUNFJGVNMRBG-GZTJUZNOSA-N 282.347 2.443 50 50 CEGA Cc1ccccc1/C=N/NC(=O)c1ccc(O)c(O)c1 297397 XCBZDSBYYACQAJ-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA COc1ccccc1C(=O)NNC(=O)C1CCCCC1 289992 MKQBTSFKRICDFR-UHFFFAOYSA-N 276.336 2.037 50 50 CEGA CO[C@@H](C(=O)NNC(=O)c1ccccc1C)c1ccccc1 2865029 BPYKOGLULQEWDJ-OAHLLOKOSA-N 298.342 2.144 50 50 CEGA O=C(CN1CCCCCCC1)N/N=C/c1cccs1 4990729 KWYGOCDHRZFXMB-RVDMUPIBSA-N 279.409 2.464 50 50 CEGA C[C@@H](Cl)C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 1875363572 KBAPTXGSOMNYLV-SSDOTTSWSA-N 273.764 2.346 50 50 CEGA COc1ccc(NC(=O)/C(C#N)=C\c2ccco2)cn1 222067229 CVWITXSCSPWFFM-YFHOEESVSA-N 269.260 2.229 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1O 59554 YTOQOAWQMMPWRB-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA CCCc1ccc(OCc2ccc(C(=O)NN)o2)cc1 135529 QNPXINUZSUJNEE-UHFFFAOYSA-N 274.320 2.415 50 50 CEGA CN(C(=O)CCl)[C@@H](c1ccccc1)c1ncc[nH]1 1875374914 JNRGKPBZKZOJIF-LBPRGKRZSA-N 263.728 2.196 50 50 CEGA O=C(CCl)N[C@@H]1CCO[C@H](c2cccs2)C1 1875374975 MNYGNGVJWANMNV-BDAKNGLRSA-N 259.758 2.323 50 50 CEGA C/C(=N\NC(=O)Cc1cccs1)c1cccnc1 12362396 DYCBPEDLYBOWHD-XNTDXEJSSA-N 259.334 2.226 50 50 CEGA C[C@H](Cl)C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C 1875375483 CHJAQVKWTPLFFD-DCAQKATOSA-N 288.819 2.108 50 50 CEGA NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2389243 XBJZTBIUABBHOW-UHFFFAOYSA-N 271.685 2.066 50 50 CEGA C[C@H](Br)C(=O)NCc1ccc(F)cc1F 235437279 UFDMHWSJQIVNOG-LURJTMIESA-N 278.096 2.364 50 50 CEGA O=C(N/N=C/c1ccc2c(c1)OCO2)[C@@H]1[C@H]2CCCC[C@H]21 245227357 DBZYKKHONRXLOZ-NOFRYADXSA-N 286.331 2.302 50 50 CEGA COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 261273 VMMWLLMFKPISCN-GZTJUZNOSA-N 284.315 2.224 50 50 CEGA CCOC(=O)CCNC(=O)c1ccc(CCl)cc1 45707683 CDAQWTNZLDQRFD-UHFFFAOYSA-N 269.728 2.108 50 50 CEGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 12343208 JMUGDKFQZJFXKE-NTEUORMPSA-N 273.248 2.342 50 50 CEGA CCOC(=O)C(C#N)=CNc1ccc(C(C)=O)cc1 2040751284 YLWURFDYJIVPMB-UHFFFAOYSA-N 258.277 2.272 50 50 CEGA O=C(CCl)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 1319683090 VCGSGLCVPFNMPC-QWHCGFSZSA-N 285.746 2.479 50 50 CEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 43660 HXRGBTONNGCADT-CYBMUJFWSA-N 288.278 2.080 50 50 CEGA N#CC1=CNc2c(Cl)cc([N+](=O)[O-])cc2[C@H]1O 214472323 AWEHVQIFQUDTBI-JTQLQIEISA-N 251.629 2.115 50 50 CEGA O=C(CNc1cccc(Cl)c1)N/N=C/c1ccco1 234116 QPHOLSPXPFUFPP-LZYBPNLTSA-N 277.711 2.495 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccs1 585280 AKBPCJXSFLISFL-IZZDOVSWSA-N 265.250 2.013 50 50 CEGA O=C(CCc1ccccc1)N/N=C1\C(=O)Nc2ccccc21 5731406 QXJDCXDETPSOKS-UHFFFAOYSA-N 293.326 2.092 50 50 CEGA O=C(CCCl)NCC1(c2ccccc2)CCOCC1 2028869 QNMJCTJVWVISCF-UHFFFAOYSA-N 281.783 2.480 50 50 CEGA CCn1ncc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C 2758970 AQXSQDWJMBVYHB-AWEZNQCLSA-N 298.346 2.026 50 50 CEGA Cc1ccsc1/C=N\NC(=O)c1[nH]nc2c1CCC2 13113835 LSCOJOICLMZKTJ-AUWJEWJLSA-N 274.349 2.032 50 50 CEGA O=C(CCn1cnc2ccccc21)N/N=C/c1ccco1 5297476 MEISFQVVZSWLFH-LICLKQGHSA-N 282.303 2.170 50 50 CEGA O=C(NNc1ccncc1Cl)c1cccnc1S 154693659 WKCJQUBLRAFOQR-UHFFFAOYSA-N 280.740 2.176 50 50 CEGA CC(C)(C)OC(=O)N1CC[C@H]1CBr 95742881 YDUBHKXBYBMWRH-ZETCQYMHSA-N 250.136 2.391 50 50 CEGA in-vitro CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccnc2)cc1 2864994 YIRXOYYGNJVDEH-UHFFFAOYSA-N 297.358 2.454 50 50 CEGA O=C(O)/C=C/C(=O)NN=C(c1ccccc1)c1ccccc1 2896760 AACSXNDMQHZLAL-VAWYXSNFSA-N 294.310 2.196 50 50 CEGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)[C@H]1CCCO1 1875390336 RLDKKIKEIGXMRU-MRVSMHPGSA-N 262.353 2.094 50 50 CEGA Cc1cc(=O)oc2cc(OC(=O)CCl)ccc12 129505 DNVAMQZOGHDQNS-UHFFFAOYSA-N 252.653 2.246 50 50 CEGA in-vitro O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1CC12CCC2 62454 KZIGRXHQXKGLIL-MRACZJACSA-N 279.321 2.297 50 50 CEGA C=CCc1cccc(/C=N/NC(=O)c2ccccn2)c1O 381449 PVFUNUKSPYLPDR-WOJGMQOQSA-N 281.315 2.280 50 50 CEGA OB(O)c1cccc(-n2c3ccccc3c3ccccc32)c1 169744828 IDQUIFLAFFZYEX-UHFFFAOYSA-N 287.127 2.464 50 50 CEGA OB(O)c1ccc(Cl)c(OCc2ccccc2)c1Cl 169794600 ISXBLZCSJKQVQQ-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA CN(C(=O)c1ccccc1)N(C)C(=O)c1ccccc1 1689426 PQEZHJRKUSZEBK-UHFFFAOYSA-N 268.316 2.446 50 50 CEGA biogenic C/C(=N\NC(N)=O)c1cnc(-c2cccs2)s1 221529323 TWTQUZFBNJGIMD-AWNIVKPZSA-N 266.351 2.264 50 50 CEGA C[C@H](Cl)C(=O)NCCc1csc(N2CCCC2)n1 1875363684 RTEBVUDVFLVAKC-VIFPVBQESA-N 287.816 2.029 50 50 CEGA C/C(=N/NC(=O)c1ccccc1O)c1ccccc1O 12403568 LQGMBUGEAAGJKW-YBEGLDIGSA-N 270.288 2.252 50 50 CEGA CN(NC(=O)c1ccccc1)C(=O)c1ccccc1 1762263 QPHPEPMDRYADGQ-UHFFFAOYSA-N 254.289 2.104 50 50 CEGA O=C(CCl)N1CC(c2ccc(Br)cn2)C1 1875386883 BWJKIKCQIJLTPH-UHFFFAOYSA-N 289.560 2.009 50 50 CEGA Cc1ccc(S(=O)(=O)NC(C)(C)CCl)cc1 284060 SIERZQZFOUPITI-UHFFFAOYSA-N 261.774 2.291 50 50 CEGA O=C(NNC(=S)Nc1ccc(F)cc1F)c1ccco1 621376 RUAWKLJBMPEFSF-UHFFFAOYSA-N 297.286 2.189 50 50 CEGA CCOC(=O)NNC(=O)Nc1c(C)cccc1C 2167111 SDFACAKWDJAPHB-UHFFFAOYSA-N 251.286 2.086 50 50 CEGA O=C(/C=C/NNC(=O)c1ccccc1)c1ccccc1 2893250 MDSLOAFAKDESOU-VAWYXSNFSA-N 266.300 2.318 50 50 CEGA COC(=O)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 6179543 IHOXVKBIVINPGK-NVNXTCNLSA-N 288.259 2.335 50 50 CEGA CCc1n[nH]c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 351049 OGKHPCIHORTDGE-ZDUSSCGKSA-N 296.330 2.199 50 50 CEGA CCOC(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 216330069 DVWYAQGOINMJHN-GPCCPHFNSA-N 283.372 2.162 50 50 CEGA O=C(Cc1ccccc1Br)NCCCl 243226015 KKEMOLWCUDLXSY-UHFFFAOYSA-N 276.561 2.347 50 50 CEGA C[C@H](NC(=O)[C@@H](C)Cl)c1nc(Cc2ccccc2)no1 1875364953 ZCIWFDASOICRJZ-ZJUUUORDSA-N 293.754 2.465 50 50 CEGA COc1ccc(/C=C(/C#N)C(N)=O)c2ccccc12 15658925 BVIYBDWLGGRPCW-FLIBITNWSA-N 252.273 2.241 50 50 CEGA CC(C)c1nnc2ccc(NC(=O)[C@@H](F)Cl)cn12 2325897663 CSYDFCZJPLCDEN-SECBINFHSA-N 270.695 2.326 50 50 CEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccoc1 48985 IHZCJVANZPHHSU-LBPRGKRZSA-N 256.261 2.094 50 50 CEGA O=C(NNc1cnccn1)[C@H]1C[C@H]1c1ccc(Cl)cc1 114880398 RKGUUFPWVRINIA-RYUDHWBXSA-N 288.738 2.377 50 50 CEGA C[C@@H]1CC2(C[C@H]3COC(=O)/C3=C/C[C@@H]1Cl)OCCO2 101141456 AWYVDOXVKZEJND-VRYGVDPFSA-N 286.755 2.256 50 50 CEGA O=C(CCC(=O)OCc1ccccc1)OCCl 34487006 CSQJMNMWWYYBBG-UHFFFAOYSA-N 256.685 2.250 50 50 CEGA C[C@H](O)[C@@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)OC1=O 169829853 FKVVEFNZVTXWFS-AXFHLTTASA-N 274.433 2.321 50 50 CEGA CC(C)(C)OC(=O)N1CC2(C[C@@H](Br)CO2)C1 91303237 BFMNMRHGKNUVSC-MRVPVSSYSA-N 292.173 2.160 50 50 CEGA in-vitro C[C@@H](Br)[C@H](Br)/C=C/C(=O)O 3074807 CPTJDEYJAQERHL-BKDNXVRYSA-N 271.936 2.174 50 50 CEGA N#C/C(=C\c1cccc(OC(=O)c2cccs2)c1)C(N)=O 858597 JZCIGECOTSQGQE-YRNVUSSQSA-N 298.323 2.360 50 50 CEGA CC1(C)OB(CI)OC1(C)C 169747792 UBNNPAYFVZFWPE-UHFFFAOYSA-N 267.903 2.053 50 50 CEGA in-vitro CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 122691 PRSFEPRXXOXYKF-YRNVUSSQSA-N 261.277 2.174 50 50 CEGA O=C(N/N=C/c1ccncc1)c1ccc(Cl)cc1O 431914 FLXYFNQQFSDPDK-LZYBPNLTSA-N 275.695 2.205 50 50 CEGA CNc1ccccc1C(=O)N/N=C/c1ccccc1O 3091556 RTFXWABSHNRVPC-LICLKQGHSA-N 269.304 2.198 50 50 CEGA O=C(N/N=C/c1cccn1-c1nccs1)c1ccco1 1390351 CKXWPDSDPPRMGD-OQLLNIDSSA-N 286.316 2.291 50 50 CEGA CN(C)c1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1 32189225 HZGBUEIBRGHLGQ-BOPFTXTBSA-N 283.331 2.222 50 50 CEGA C[C@H](Cl)C(=O)NCc1nnc(C(C)(C)C)s1 1875364342 OFYPFERORZZIKE-LURJTMIESA-N 261.778 2.079 50 50 CEGA Cc1cc(B(O)O)cc(C)c1OCc1ccc(Cl)cc1 169877188 MBKKDZFJTODELM-UHFFFAOYSA-N 290.555 2.216 50 50 CEGA in-vitro CCc1ccc([C@@H](COC)NS(=O)(=O)[C@H](C)Cl)o1 585115355 XNDNHCLXMCWMMW-PSASIEDQSA-N 295.788 2.034 50 50 CEGA CCc1ccc([C@H](COC)NS(=O)(=O)[C@@H](C)Cl)o1 585115358 XNDNHCLXMCWMMW-WPRPVWTQSA-N 295.788 2.034 50 50 CEGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccoc1C 5678476 XBCAQYQDUVESTF-MHWRWJLKSA-N 297.318 2.139 50 50 CEGA O=C(NN=C1CCCC1)C(=O)Nc1cccc(Cl)c1 4697558 PQRSFMXNKBGNKF-UHFFFAOYSA-N 279.727 2.325 50 50 CEGA C[C@@H](Cl)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 1875366511 QYPOTSYTRUGZID-NXEZZACHSA-N 286.734 2.218 50 50 CEGA COc1ccc(NC(=O)C(Cl)Cl)cc1OC 458268 QVDHBKXEUGKSPG-UHFFFAOYSA-N 264.108 2.446 50 50 CEGA C[C@H](OC(=O)Nc1ccccc1)C(=O)OCCCl 1698897 FYYFIFFHDLIPFU-VIFPVBQESA-N 271.700 2.406 50 50 CEGA O=C(O)C[C@H](Br)C(=O)c1ccccc1 1730538 VPUHMOLSUUYGEJ-QMMMGPOBSA-N 257.083 2.108 50 50 CEGA COc1ccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1O 100310929 KUHWPJWODCTYFX-JIETVRIZSA-N 288.347 2.287 50 50 CEGA O=S(=O)(CCCl)Cc1ccc(Cl)cc1 1736480 VYKADJACAOZSEZ-UHFFFAOYSA-N 253.150 2.494 50 50 CEGA O=C(CCl)NCC[C@@H]1OCCc2ccccc21 1354192177 BRERTJCERLIXKJ-LBPRGKRZSA-N 253.729 2.046 50 50 CEGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 12343226 VAVIDKHNBUDQRH-MHWRWJLKSA-N 284.275 2.144 50 50 CEGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(N)cc1 4964220 IRYXXWYCYYFSDF-YVLHZVERSA-N 269.304 2.128 50 50 CEGA COc1cccc(/C=C2/C(=O)ON=C2CCl)c1 34926715 GRBOJZFCLPOVOZ-UXBLZVDNSA-N 251.669 2.230 50 50 CEGA O=C(N/N=C/c1cccs1)c1ccn2ccnc2c1 602993635 GLLXQARMABJGLP-OQLLNIDSSA-N 270.317 2.160 50 50 CEGA Cc1cc(-c2csc(NNC(N)=O)n2)c(C)s1 225745919 ZCAFJKSDPFSCHR-UHFFFAOYSA-N 268.367 2.484 50 50 CEGA CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C(C#N)=C(N)O1 77683 JOJCYKQTOFIGHU-CQSZACIVSA-N 299.330 2.115 50 50 CEGA N#Cc1ccc(NNC(=O)c2ccc(C#N)cc2)cc1 155463337 OUSLHCWADZJXPV-UHFFFAOYSA-N 262.272 2.187 50 50 CEGA C[C@H](Cl)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 1875378235 XYDQZSPJEURTPQ-NHYWBVRUSA-N 279.767 2.314 50 50 CEGA CC1(C)C[C@H](O)c2cccc(NC(=O)CCl)c2O1 1875375070 PNRMPCSRVMTFNH-JTQLQIEISA-N 269.728 2.458 50 50 CEGA Cc1ccsc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 289001 CRDCXSIUDXWJMF-YTRUQHMWSA-N 276.361 2.259 50 50 CEGA Cc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1O 4702456 CHVVSOQYZFVMRP-SXGWCWSVSA-N 299.286 2.373 50 50 CEGA N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)O 37405827 LYNQRDIQUFMLTI-HNQUOIGGSA-N 263.121 2.374 50 50 CEGA COC(=O)[C@@H](Br)c1ccccc1OC 34255011 UBXWFYGCGHBNAP-VIFPVBQESA-N 259.099 2.304 50 50 CEGA O=C(N/N=C/c1ccncc1)c1cccc(Cl)c1 263017 UJBPSMBQKZUEOP-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA COc1ccc(C(=O)CBr)cc1[N+](=O)[O-] 4776267 CVPDMBUSCIDXCM-UHFFFAOYSA-N 274.070 2.181 50 50 CEGA ClCc1cncc(I)c1 6643302 KOFPVPCXFHKGRX-UHFFFAOYSA-N 253.470 2.425 50 50 CEGA Cc1nnc([C@@H]2C[C@H](C)N(C(=O)CCl)[C@H](C)C2)o1 1875368092 PFKAILBYBDOPAS-MBTKJCJQSA-N 271.748 2.100 50 50 CEGA CCOCCCNC(=O)/C(C#N)=C\c1ccc2nc[nH]c2c1 585136157 TWHQJCPAQSKGHU-JYRVWZFOSA-N 298.346 2.013 50 50 CEGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 12464438 OWYABHQBCIIHGE-MHWRWJLKSA-N 268.320 2.441 50 50 CEGA Cn1cccc1CC(=O)N/N=C/c1cccc(Cl)c1 4899012 YZAVKYFJFZNOSH-MHWRWJLKSA-N 275.739 2.371 50 50 CEGA CCNC(=O)N1CCc2ccc(NC(=O)[C@H](C)Cl)cc21 1875364004 HDRTWOZKDDTFTB-VIFPVBQESA-N 295.770 2.344 50 50 CEGA Cc1cccc2oc(CCNC(=O)[C@H](C)Cl)nc12 1875362982 BUTXVFHGVVRRPD-VIFPVBQESA-N 266.728 2.422 50 50 CEGA COC(=O)C(C#N)=C1CCN(Cc2ccccc2)CC1 217039220 GGEPTHZTYHGUFG-UHFFFAOYSA-N 270.332 2.276 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 1875366396 GYHYGHOTNNQONR-DDQZHCRQSA-N 253.704 2.207 50 50 CEGA O=C1OC(=O)[C@@]23CC=CC[C@@]12Cc1ccccc1C3 101046555 CWWVRQFXHCWZDC-IYBDPMFKSA-N 254.285 2.191 50 50 CEGA Cc1ccccc1NCC(=O)N/N=C\c1cccc(O)c1 32603917 VYMQNCNAGSTOHN-ZDLGFXPLSA-N 283.331 2.263 50 50 CEGA Cc1ccc(COc2ccsc2C(=O)NN)cc1 169873 BAEINFNZLWOIJX-UHFFFAOYSA-N 262.334 2.239 50 50 CEGA C[C@H](Cl)C(=O)N1C[C@@H]2CN(C)[C@@H](c3ccccc3)[C@@H]2C1 1875364562 VQTZZUPOUPUOHM-MHEUCROKSA-N 292.810 2.375 50 50 CEGA CC(C)(C)CC[C@H](NC(=O)CCl)c1nc[nH]n1 1875376732 GVHFYENPVDLPDI-QMMMGPOBSA-N 258.753 2.027 50 50 CEGA C[C@H](Cl)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 1875366513 QYPOTSYTRUGZID-VHSXEESVSA-N 286.734 2.218 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1)c1ccc2[nH]cnc2c1 551835 LMUQEKCNOAIIOP-QGMBQPNBSA-N 280.287 2.032 50 50 CEGA COc1ccc(OC)c(NC(=O)OCCCl)c1 2167855 HQARAEIGDSVZSK-UHFFFAOYSA-N 259.689 2.491 50 50 CEGA COc1ccc(Cl)cc1C(=O)NN=C1CCN(C)CC1 55072007 ACJMTDLWOHGUSE-UHFFFAOYSA-N 295.770 2.160 50 50 CEGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 83917 HZGBUEIBRGHLGQ-GZTJUZNOSA-N 283.331 2.222 50 50 CEGA in-vitro N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1 247389 DMWZRMMVJNXHPH-BCNIOPEESA-N 295.342 2.370 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccccc2)cc1O 497874 LXOANABFEOWJKR-MHWRWJLKSA-N 270.288 2.165 50 50 CEGA COc1ccccc1C(=O)NNC(=O)c1ccccc1C 299852 XYHGMWINEHPAAT-UHFFFAOYSA-N 284.315 2.078 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC=CC3 254752422 MBOCWUFISKKKSD-RJSFJBSNSA-N 254.285 2.011 50 50 CEGA Cc1cccc(NCC(=O)N/N=C/c2ccco2)c1 5740550 CQHVVLTWNKGYED-CXUHLZMHSA-N 257.293 2.150 50 50 CEGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1 4948980 BWXWFSOQOYUPBD-YBFXNURJSA-N 296.330 2.194 50 50 CEGA CC1=NN(c2ccccc2)C(=O)[C@H]1Br 100663518 VUKNWMJGQDNINW-VIFPVBQESA-N 253.099 2.173 50 50 CEGA Cc1cc(B(O)O)cc(C)c1OCc1cccc(Cl)c1 169877205 FSGQMHRYHYNMCX-UHFFFAOYSA-N 290.555 2.216 50 50 CEGA in-vitro Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 5044909 XGXVQUOJXOWMJD-LBPRGKRZSA-N 288.257 2.215 50 50 CEGA O=C(NNC(=S)NC1CCCCC1)c1ccccc1 127074 IMPPXPOJRHFOJR-UHFFFAOYSA-N 277.393 2.128 50 50 CEGA CC(C)(O)C(=O)N/N=C/c1cccc2ccccc12 2141518 XGXFQQULMLXEDJ-MHWRWJLKSA-N 256.305 2.061 50 50 CEGA Cc1ccc(C)c2c1[C@H]1C=C[C@H]2[C@@H]2C(=O)OC(=O)[C@@H]12 101021354 RGVJSMKRCNBIRS-JYILRKAJSA-N 254.285 2.370 50 50 CEGA O=C(NNc1ccc(F)cc1)[C@@H]1CSCCS1 121046608 HOUJMRREOVXPGD-JTQLQIEISA-N 272.370 2.117 50 50 CEGA COC(=O)c1cc(CBr)cc(C(=O)OC)c1 83255337 SVXVCUVXGMLDJC-UHFFFAOYSA-N 287.109 2.155 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 1875366397 GYHYGHOTNNQONR-FRWDVGBBSA-N 253.704 2.207 50 50 CEGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(C)n[nH]1 4677773 YVVWFHXMNLDYJN-ASWACWRWSA-N 284.319 2.156 50 50 CEGA C[C@H](Br)C(=O)N1CCc2ccccc21 32579626 UOOPTJBTNXNTCP-QMMMGPOBSA-N 254.127 2.359 50 50 CEGA O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)CCl)CC1 1320466603 KPRYUSYTKUZREV-CQSZACIVSA-N 292.766 2.200 50 50 CEGA O=C(COc1cccc(Cl)c1)N/N=C\c1cccnc1 30855879 DJRWTLSLFYERGX-MFOYZWKCSA-N 289.722 2.264 50 50 CEGA CC(C)(C)NC(=O)[C@H](Br)CBr 101364768 ZQDRNOFBWKJDPZ-RXMQYKEDSA-N 286.995 2.060 50 50 CEGA C[C@H](Br)C(=O)NCc1ccc(F)cc1 32919986 OYWCZIUJNYVIMV-ZETCQYMHSA-N 260.106 2.225 50 50 CEGA C[C@H](Cl)C(=O)NC1(COc2ccccc2)CC1 1875370530 SGVILGJEOUXCMX-JTQLQIEISA-N 253.729 2.342 50 50 CEGA Cc1ccccc1-c1nc2nc(CCl)cc(=O)n2[nH]1 1775937579 GBNSCKCBLQYQAQ-UHFFFAOYSA-N 274.711 2.132 50 50 CEGA ICC12CCC(CC1)CO2 222972993 JJVUWWKSNMBGMX-UHFFFAOYSA-N 252.095 2.381 50 50 CEGA O=C(CCl)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 1875367885 WAWUXSHJZVEVMN-BXUZGUMPSA-N 281.739 2.024 50 50 CEGA C[C@@H](NC(=O)CCl)[C@H](O)c1cc(F)cc(Cl)c1 1875378497 FBJSQTNPEVGEOU-KBUNVGBDSA-N 280.126 2.256 50 50 CEGA NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 4615441 CCOZIGFGXCUJCE-UHFFFAOYSA-N 289.722 2.196 50 50 CEGA COC(=O)c1cscc1C(=O)CBr 1535639449 BYIFLKAOGMZLSX-UHFFFAOYSA-N 263.112 2.112 50 50 CEGA N#C/C(=C\c1ccc(Br)cc1)C(=O)O 4541963 REWONLOPJHWIMK-VMPITWQZSA-N 252.067 2.441 50 50 CEGA CNc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1741140 VXGCABIGJRAMHU-LICLKQGHSA-N 298.302 2.400 50 50 CEGA O=C(NNC(=O)c1ccc(F)cc1)Nc1ccccc1 112613 CECWIMGCWKBWMD-UHFFFAOYSA-N 273.267 2.292 50 50 CEGA CCc1n[nH]c2c1[C@H](Cc1ccccc1)C(C#N)=C(N)O2 8580003 CJCPBFSGUZXKSI-LLVKDONJSA-N 280.331 2.385 50 50 CEGA O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]12)[C@H]1C2=C(CCCC2)[C@@H]31 254619601 TWPKKKBHBOVJOC-QSWPVVRKSA-N 256.301 2.235 50 50 CEGA Cc1cc2c(cc1NC(=O)CCl)sc(=O)n2C 1875375185 UDXFJHXJSVNSAZ-UHFFFAOYSA-N 270.741 2.086 50 50 CEGA O=[N+]([O-])c1ccc(O)cc1OCCBr 1775971542 TZZQNYQZBWVLQM-UHFFFAOYSA-N 262.059 2.074 50 50 CEGA CCc1n[nH]c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 4631557 PASHMSOJFCCLGH-LBPRGKRZSA-N 284.294 2.329 50 50 CEGA CCOC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1 4726999 CPLWLQOLZIZSLD-WQLSENKSSA-N 258.277 2.115 50 50 CEGA Cc1cc(C(=O)N/N=C/[C@@H](C)c2ccccc2)[nH]n1 445566 NTZMRUPYGNLHOV-KXUVPBGPSA-N 256.309 2.237 50 50 CEGA O=C(COc1ccccc1Cl)N/N=C\c1ccncc1 30725356 IJVGXGRKJOGKSS-MFOYZWKCSA-N 289.722 2.264 50 50 CEGA CC(=O)c1ccc(NC(=O)CBr)cc1 5639821 VXYNUOWJSXXSRR-UHFFFAOYSA-N 256.099 2.223 50 50 CEGA O=C(Cc1ccccc1)NNC(=O)Nc1ccccc1 309931 WUJMTSHBHFZHEZ-UHFFFAOYSA-N 269.304 2.082 50 50 CEGA Cc1nc(CNC(=O)[C@@H](C)Cl)nc2ccccc12 1875363899 DAJACBAZQNZYRU-MRVPVSSYSA-N 263.728 2.182 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 298657 SNDPUDHVMJTLBA-CXUHLZMHSA-N 287.250 2.498 50 50 CEGA C=C1CC(C(=O)N/N=C/c2ccc(OC)c(OC)c2)C1 824532534 IPRPOSWHFPNIMS-CXUHLZMHSA-N 274.320 2.120 50 50 CEGA CC/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccccc1 5231310 MPBWJZMVWMODEX-FOWTUZBSSA-N 256.309 2.262 50 50 CEGA CCCCn1c(=O)n(CCCl)c(=O)c2ccccc21 299738317 UNSRSYVWMZHWIF-UHFFFAOYSA-N 280.755 2.202 50 50 CEGA O=C(CCCNc1ccccc1)N/N=C/c1cccnc1 2258854 GWSZINVYVVUVMG-CPNJWEJPSA-N 282.347 2.424 50 50 CEGA CC(C)NC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2 13468945 PQBSCROEISMHIA-UHFFFAOYSA-N 295.452 2.107 50 50 CEGA Cc1ccsc1/C=C(/C#N)C(=O)NC[C@H]1CCCO1 19912781 CRDCXSIUDXWJMF-SEVUFMINSA-N 276.361 2.259 50 50 CEGA O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1CCCCC1 358471 DYGCDSPLNVBASN-UHFFFAOYSA-N 291.307 2.410 50 50 CEGA COc1cc(CC2CN(C(=O)[C@@H](C)Cl)C2)cc(OC)c1 1875364756 STQXYFSKJBOSDU-SNVBAGLBSA-N 297.782 2.332 50 50 CEGA CCCc1n[nH]c2c1[C@@H](c1ccco1)C(C#N)=C(N)O2 18122217 BYFVZHRYWSMPFR-LLVKDONJSA-N 270.292 2.173 50 50 CEGA CCCSS(=O)(=O)c1ccc(NC(C)=O)cc1 3130476 YGTDAFZDUYKMNA-UHFFFAOYSA-N 273.379 2.477 50 50 CEGA COc1ccc(OC)c([C@H](O)CBr)c1 133809048 BFNGHCXVSDJCDR-SECBINFHSA-N 261.115 2.132 50 50 CEGA BrCc1cnc(Br)cn1 261507967 OIUHGRNWMIPDEV-UHFFFAOYSA-N 251.909 2.134 50 50 CEGA CC(C)c1ccc(/C=N/NC(=O)c2cnccn2)cc1 228576 NXTBPUYKCPMAFP-GIJQJNRQSA-N 268.320 2.364 50 50 CEGA CCSc1nnc(NC(=O)CCCl)s1 2027824 UWETWZSNHVZMLH-UHFFFAOYSA-N 251.764 2.218 50 50 CEGA C[C@@H](Cl)C(=O)NC[C@]1(C)OCCc2sccc21 1875377315 BWPJVHVCXNTAIH-PELKAZGASA-N 273.785 2.280 50 50 CEGA O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)C1CC1 371637 UMUBMEHZTSTLBV-CAOOACKPSA-N 272.283 2.076 50 50 CEGA N#CCC[C@](Br)(C#N)CBr 1850513 DHVLDKHFGIVEIP-ZCFIWIBFSA-N 265.936 2.342 50 50 CEGA in-vitro C/C(=N\NC(=O)NCc1ccco1)c1ccccc1O 222150232 HVCPQARLSFGJID-MHWRWJLKSA-N 273.292 2.209 50 50 CEGA CCOC(=O)/C(C#N)=C1/CCC[C@H](C(=O)OCC)C1 205119589 AOXDUXURUYRVDH-NIANNCQZSA-N 265.309 2.123 50 50 CEGA COc1ccccc1C(=O)N/N=C(\C)c1cccnc1 368535 ZPZLHDOVXFUQAT-GZTJUZNOSA-N 269.304 2.244 50 50 CEGA COCCCNC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 2971082 YUEZIBJNCSDDMP-FMIVXFBMSA-N 283.331 2.228 50 50 CEGA COCc1[nH]nc2c1[C@@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 20064767 WWCHKHPPGPKKIL-CABZTGNLSA-N 286.335 2.082 50 50 CEGA COc1ccc(N(CC2(C)CC2)C(=O)CCl)cn1 1875382038 OKAHFUCQIXXERT-UHFFFAOYSA-N 268.744 2.462 50 50 CEGA Cc1ccc(CN(CC(C)(C)O)C(=O)CCl)s1 1875382330 YEWJIOMAAJAHCW-UHFFFAOYSA-N 275.801 2.395 50 50 CEGA Cc1ccoc1/C=N/NC(=O)[C@@H](C)n1nnc2ccccc21 124498 ZKTUKYMTYHPREW-LKBVRNOZSA-N 297.318 2.044 50 50 CEGA CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 4366298 KHKWSBFEHJHLDY-GZTJUZNOSA-N 282.299 2.376 50 50 CEGA C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1ccccc1 55630 NVUOGKZZZWYOSH-GZTJUZNOSA-N 284.363 2.500 50 50 CEGA C/C(=N\NC(=O)c1ccncc1)c1ccc([N+](=O)[O-])cc1 12343265 ZDHZAWSWTRADET-MHWRWJLKSA-N 284.275 2.144 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)o1 13635474 GWGKWYAIDWDWPG-REZTVBANSA-N 268.276 2.228 50 50 CEGA O=C(CCc1ccccc1)NNC(=O)C1[C@H]2CCCC[C@H]12 100316943 SFYGJQYIUTWGDL-KBPBESRZSA-N 286.375 2.203 50 50 CEGA N#Cc1ccc(OCC(=O)N/N=C/c2cccs2)cc1 1421066 ZUEFBLNGIOYUOH-CXUHLZMHSA-N 285.328 2.149 50 50 CEGA O=C(CC(=O)NN=C1CCCCC1)NN=C1CCCCC1 5374159 WAIBOLJPMGKDJL-UHFFFAOYSA-N 292.383 2.249 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1C[C@H]1c1ccccc1 4066472 JXJKGNIHPNFIOL-UYHBEJOSSA-N 296.326 2.352 50 50 CEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccccc1 41436 BJYPUOCKWBTIGT-LBPRGKRZSA-N 294.738 2.097 50 50 CEGA Cn1cccc1CC(=O)N/N=C/c1ccc(Cl)cc1 230851 OPMKXVIMCFRXLX-MHWRWJLKSA-N 275.739 2.371 50 50 CEGA Cc1cccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)c1 448670 SBGQDYVWXDWIHC-RQZCQDPDSA-N 270.336 2.405 50 50 CEGA C[C@@H](Cl)C(=O)N1CC[C@@H](Cc2ccncc2)C1 1875377577 HOOKTBHZBZYOHA-PWSUYJOCSA-N 252.745 2.100 50 50 CEGA C/C(=N/NC(=O)[C@H](O)c1ccccc1C)c1ccco1 13950214 VMPQIAWLEHNXIF-VQCBNXJZSA-N 272.304 2.162 50 50 CEGA O=C(N/N=C/c1ccc[nH]1)[C@@H]1C[C@H]1c1ccccc1 51043 FVEWTLALAOXCBQ-KQLQBFTNSA-N 253.305 2.269 50 50 CEGA O=C(CCl)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 2325890222 LISOTFLBELJLOR-CQSZACIVSA-N 293.729 2.262 50 50 CEGA C[C@@H](Cl)C(=O)NCc1nc2cc(F)ccc2o1 1875377882 QEHJAXGWHZLCIW-ZCFIWIBFSA-N 256.664 2.210 50 50 CEGA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@@H](C)Cl 1875377455 DXQJQVYDTNMDEP-ZJUUUORDSA-N 296.802 2.466 50 50 CEGA CC(C)c1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)[nH]n1 181546 DDBHLFWXTRKNJR-LICLKQGHSA-N 299.378 2.363 50 50 CEGA O=C(NNc1cnccn1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 114880403 RKGUUFPWVRINIA-VXGBXAGGSA-N 288.738 2.377 50 50 CEGA CCCc1noc(-c2ccn3c(CCl)nnc3c2)n1 232319305 LWXUXRZHQDHXFZ-UHFFFAOYSA-N 277.715 2.471 50 50 CEGA C[C@@H]1CCC[C@H]1C(=O)NCCSSCCC(=O)O 1875388435 AWHDLAWPBIQAPW-NXEZZACHSA-N 291.438 2.395 50 50 CEGA Cc1cc(C(=O)N/N=C/c2c(F)cccc2Cl)[nH]n1 18241818 SPAIJSDJZBKPPM-GIDUJCDVSA-N 280.690 2.275 50 50 CEGA C[C@H]1COc2ccccc2CN1C(=O)[C@@H](C)Cl 1875366550 WILCGWROOIUANQ-VHSXEESVSA-N 253.729 2.423 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 231654 WJYWHIJATSLZSH-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA CCO/C=C(\C#N)C(=O)N[C@H]1C[C@@H](OCC)C12CCCC2 178969964 VUJHOOJMJGIWKU-CYUAOAIUSA-N 292.379 2.284 50 50 CEGA O=C(Cn1ccc2ccccc21)NNC(=O)C1CCCCC1 14775987 VYPZPJNDYGDVTH-UHFFFAOYSA-N 299.374 2.369 50 50 CEGA O=C(N/N=C1\C(=O)Nc2ccccc21)Nc1ccccc1 100009861 BEVYVYDVXAXNFJ-UHFFFAOYSA-N 280.287 2.165 50 50 CEGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1 2500868 LPQPZTPVTFGVCL-HNNXBMFYSA-N 296.326 2.497 50 50 CEGA O=C(NNc1ccccn1)c1cc2c(o1)CCCC2 1123778951 FECQIVRRZDUTFU-UHFFFAOYSA-N 257.293 2.310 50 50 CEGA C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 4957033 RURJVQKJIKPDMA-NTUHNPAUSA-N 292.251 2.019 50 50 CEGA N#CC(C#N)=Cc1c[nH]c(=O)c(C#N)c1Nc1ccccc1 978614 GQHWVQQERAWPDN-UHFFFAOYSA-N 287.282 2.421 50 50 CEGA CCOC(=O)CNC1=C(C#N)C(=S)CC(C)(C)C1 100507223 VCYCOCVUUMTJDJ-UHFFFAOYSA-N 266.366 2.107 50 50 CEGA CC(C)[C@H](NC(=O)[C@H](C)Cl)C1(CO)CC=CC1 1875379994 BQESNPWDAJJLPI-QWRGUYRKSA-N 259.777 2.083 50 50 CEGA CC(C)[C@@H](NC(=O)[C@H](C)Cl)c1nc(C2CC2)no1 1875363973 GLWBHKOCEFFVGI-IONNQARKSA-N 271.748 2.388 50 50 CEGA N#Cc1ccccc1OCC(=O)N/N=C/c1ccccc1 289371 GSDXBADOBHXOSW-WOJGMQOQSA-N 279.299 2.087 50 50 CEGA C/C(=N\NC(=O)Cc1cccn1C)c1cccs1 4898835 IEOUVHDNYATRKM-GXDHUFHOSA-N 261.350 2.170 50 50 CEGA C[C@@H](Br)C(=O)Oc1ccc([N+](=O)[O-])cc1 138789221 LOVOFTZGZYJDIM-ZCFIWIBFSA-N 274.070 2.284 50 50 CEGA C/C(=N\NC(=O)[C@H]1CCCO1)c1nc2ccccc2s1 222099111 YVCOFQXPRGDDOR-LKBVRNOZSA-N 289.360 2.316 50 50 CEGA O=C(N/N=C/c1cccc(F)c1)c1ccc(O)cc1 127292 VGIMFGMNLZRONU-CXUHLZMHSA-N 258.252 2.295 50 50 CEGA CC(/C=C/c1ccco1)=N\NC(=O)c1ccncc1 12343261 QUVHKWHEWFRMPK-MROGMESDSA-N 255.277 2.494 50 50 CEGA O=C(NNc1cnccn1)[C@H]1C[C@H]1c1ccccc1Cl 114881430 ZJTYZPHQPKEHEX-QWRGUYRKSA-N 288.738 2.377 50 50 CEGA CC(C)(C)c1ccc(-c2sc(N)nc2C(=O)NN)cc1 3883637 WFDXCPJYLOJYOW-UHFFFAOYSA-N 290.392 2.293 50 50 CEGA CC(C)[C@H]1C(=O)OC(=O)N1C(=O)OCc1ccccc1 72399423 PBXWOGVKYLPBQY-NSHDSACASA-N 277.276 2.327 50 50 CEGA in-vitro N#CC1=CCC[C@H](OC(=O)CN2CCCCCCC2=O)C1 888099549 PYRXLCGBNDXJCY-AWEZNQCLSA-N 290.363 2.325 50 50 CEGA CSc1nc(C)c2c(n1)O[C@@H](CBr)C2 344970 PUEGREVFTLGWLT-ZCFIWIBFSA-N 275.171 2.205 50 50 CEGA O=C(O)[C@@H](Br)c1noc2ccccc12 39347113 GOEZDVVTYIWCAJ-ZETCQYMHSA-N 256.055 2.348 50 50 CEGA O=C(Nc1c[nH]nc1-c1nccs1)[C@@H](F)Cl 2325898714 WLAUWIJTNIWEKE-ZCFIWIBFSA-N 260.681 2.006 50 50 CEGA O=C(O)CCSSCCNC(=O)C1[C@H]2CCC[C@H]12 1875388592 HWTZWNZNIMZODF-IUCAKERBSA-N 289.422 2.005 50 50 CEGA C[C@H](NC(=O)CCl)[C@@H]1OCCc2sccc21 1875377999 SZVKCWAOKKMAOI-CPCISQLKSA-N 259.758 2.105 50 50 CEGA OB(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 169844723 GKGSHGQGXTXEQY-UHFFFAOYSA-N 266.027 2.052 50 50 CEGA in-vitro BrC[C@@H]1CSc2nnc(-c3ccncc3)n21 12505873 KTLBFGKSBHWUNS-MRVPVSSYSA-N 297.181 2.382 50 50 CEGA CC(C)(C)OC(=O)N1CC[C@@H](I)C1 32915035 CFTPTQLIAIOWLK-SSDOTTSWSA-N 297.136 2.431 50 50 CEGA Cc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 289090 CAFTXMJBLUSMJK-AAWPKVBNSA-N 270.332 2.197 50 50 CEGA Cc1n[nH]c2c1[C@H]([C@@H]1CC=CCC1)C(C#N)=C(N)O2 18122912 PYJNQKPKIDDXIF-BXKDBHETSA-N 256.309 2.244 50 50 CEGA NN(/C=C1\C(=O)C=Cc2ccccc21)C(=O)c1ccncc1 201386019 USUQIEXFHFEAKY-PTNGSMBKSA-N 291.310 2.035 50 50 CEGA CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)NN 2789302 CTVIXRSYZVKNSR-SNVBAGLBSA-N 256.733 2.104 50 50 CEGA CCn1cc(C2CCN(C(=O)[C@@H](C)Cl)CC2)cn1 1875364448 MVRXCHPMLYICLB-SNVBAGLBSA-N 269.776 2.236 50 50 CEGA CCc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1 230773 YBOPJFYZJACRPD-SFQUDFHCSA-N 269.348 2.280 50 50 CEGA O=C(NNc1cnccn1)[C@@H]1C[C@H]1c1c(F)cccc1F 116452344 GRWWASHPPFCTOU-RKDXNWHRSA-N 290.273 2.002 50 50 CEGA C[C@]12C[C@H](Br)[C@@H](Br)C[C@@H]1O2 216339482 JVHROALZCZFSSO-AXMZGBSTSA-N 269.964 2.465 50 50 CEGA O=C(N/N=C/c1cccs1)[C@H]1COc2ccccc2O1 291185 AECWPUFQBFMDJY-MGMWDDNKSA-N 288.328 2.038 50 50 CEGA COc1cccc(/C=N/NC(=O)c2cc(C)oc2C)c1O 228246 UQFIHMBFTOEBIZ-LZYBPNLTSA-N 288.303 2.375 50 50 CEGA C[C@H](Cl)C(=O)NCCCN1CCc2ccccc2C1 1875363732 VZECBEKQUFMWQH-LBPRGKRZSA-N 280.799 2.178 50 50 CEGA C=CCNC(=S)NNC(=O)Nc1ccc(Cl)cc1 2550020 LOVMSXGRPVTOFV-UHFFFAOYSA-N 284.772 2.027 50 50 CEGA C[C@@H](NC(=O)CCl)c1nc(Cc2ccccc2)no1 1320465867 PZDVKVXXDCDRLT-SECBINFHSA-N 279.727 2.076 50 50 CEGA COC(=O)/C(C#N)=C\c1ccc(O)c(Br)c1 207811013 VUQRSPUHSQPQJB-YWEYNIOJSA-N 282.093 2.235 50 50 CEGA CCOC(=O)c1ccccc1C(=O)CBr 169610 RVUDSNUPKXBRKT-UHFFFAOYSA-N 271.110 2.441 50 50 CEGA in-vitro O=C(N/N=C1/CN2CCC1CC2)c1ccnc2ccccc12 23115271 HFXDEPASLSSLDW-MNDPQUGUSA-N 294.358 2.046 50 50 CEGA C[C@H](CO)N(Cc1ccccc1Cl)C(=O)CCl 1875378559 GGYFVIQITWMPBC-SECBINFHSA-N 276.163 2.288 50 50 CEGA COC(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl 4542779 FPDQMZJJSAUWTJ-QPJJXVBHSA-N 257.076 2.468 50 50 CEGA C/C(=N\NC(=O)c1ccccc1O)c1ccc(N)cc1 4579343 ROQLEVWZOQIGAO-LICLKQGHSA-N 269.304 2.128 50 50 CEGA IC[C@H]1CC2(CCOCC2)CO1 536959076 WZNBEHGZGXJKHT-MRVPVSSYSA-N 282.121 2.007 50 50 CEGA COC(=O)C[C@H](NC(=O)CCl)c1ccc(Cl)cc1 1323269975 SMUAXMXZFDZWTI-JTQLQIEISA-N 290.146 2.299 50 50 CEGA CN(C)c1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1 242749 OJFQVYNOLGZKIP-GZTJUZNOSA-N 283.331 2.222 50 50 CEGA CC1(C)Cc2ccccc2/C(=N\NC(=O)C(C)(C)C)N1 4990157 MHWYECXGWUELOD-UHFFFAOYSA-N 273.380 2.435 50 50 CEGA C/C(=N/NC(=O)c1ccccc1N)c1ccc(O)cc1 4992238 UGEYAWBQIGEUJU-YVLHZVERSA-N 269.304 2.128 50 50 CEGA CCn1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cn1 371034 DSLMXVUSWWZKJA-LZYBPNLTSA-N 290.754 2.249 50 50 CEGA CC(=O)N/N=C1/c2ccccc2-c2nc3ccccc3nc21 43005 HROLGBBVHCFHJO-PGMHBOJBSA-N 288.310 2.499 50 50 CEGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccncc1 175468 LOZBKDDHVYZBMU-LICLKQGHSA-N 273.723 2.428 50 50 CEGA COc1cccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c1 3145439 NYIWEBXGMYQPJT-OAHLLOKOSA-N 284.315 2.366 50 50 CEGA CC(C)(C)OC(=O)NNCc1ccc(F)cc1F 227542473 BAIJGOFOHJNHGB-UHFFFAOYSA-N 258.268 2.494 50 50 CEGA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](N=C=O)CC1 390822282 XABPVYFVNQSPDE-XYPYZODXSA-N 254.330 2.406 50 50 CEGA O=C(CCl)NCc1nc(C(F)(F)F)n2c1CCCC2 1335467627 ZRKFBNUSYAHGRA-UHFFFAOYSA-N 295.692 2.093 50 50 CEGA CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 198431 SJBNLYUGZCBRQL-ZETCQYMHSA-N 250.348 2.450 50 50 CEGA CCOC(=O)[C@H](Br)[C@H](C)Br 1736010 YPZLAXFGOUPECS-CRCLSJGQSA-N 273.952 2.096 50 50 CEGA Cc1nc(CNC(=O)[C@H](C)Cl)nc2ccccc12 1875363900 DAJACBAZQNZYRU-QMMMGPOBSA-N 263.728 2.182 50 50 CEGA C[C@@H](NC(=O)CCl)c1ccccc1-n1cccn1 1875364902 XRUPGMPUDHTYRJ-SNVBAGLBSA-N 263.728 2.288 50 50 CEGA COc1ccc2[nH]cc(CCNC(=O)CCl)c2c1 62298 UCLPNTKRPMTACI-UHFFFAOYSA-N 266.728 2.074 50 50 CEGA biogenic OB(O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 169747741 HKWYWWYEYYTNGU-UHFFFAOYSA-N 266.920 2.340 50 50 CEGA in-vitro O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccncc1 1394999 PTYYAWFFUHMJFE-OQLLNIDSSA-N 285.263 2.145 50 50 CEGA Cc1ccoc1/C=N/NC(=O)[C@H](C)n1nnc2ccccc21 124503 ZKTUKYMTYHPREW-UJFYRASASA-N 297.318 2.044 50 50 CEGA N#CCN1CCC/C1=C(/C#N)C(=O)c1ccccc1 448369 MMRMRPKAXVVRAO-BUHFOSPRSA-N 251.289 2.266 50 50 CEGA CC(C)(C)OC(=O)N1CC[C@H](Br)C1 26897688 QJTKPXFJOXKUEY-ZETCQYMHSA-N 250.136 2.391 50 50 CEGA CCOc1ccc2c(c1)[C@@H](NC(=O)CCl)CCO2 1875375259 WKTFDVCSCDOQDF-NSHDSACASA-N 269.728 2.264 50 50 CEGA Nc1nc(CCl)nc(N2CCCc3ccccc32)n1 541599 YFVGHUYNDXBRNV-UHFFFAOYSA-N 275.743 2.277 50 50 CEGA COCCNc1nc(CCl)nc2ccccc12 64038084 ORQYDFRXJHRJNM-UHFFFAOYSA-N 251.717 2.427 50 50 CEGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 12343227 GQJAUHAZDPOCLN-NTEUORMPSA-N 273.248 2.342 50 50 CEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccco1 52195 VCOFSMLXFHYCKS-GFCCVEGCSA-N 256.261 2.094 50 50 CEGA O=P(CCCO)(c1ccccc1)c1ccccc1 2565459 KAKTVAXATYYOEP-UHFFFAOYSA-N 260.273 2.383 50 50 CEGA O=C(CCl)N[C@@]1(Cc2cccc(Cl)c2)CCOC1 1875374829 GQNPJAYHPBIPSK-CYBMUJFWSA-N 288.174 2.397 50 50 CEGA Cc1ccsc1/C=C(/C#N)C(=O)NC[C@@H]1CCCO1 19912779 CRDCXSIUDXWJMF-RDQDRAATSA-N 276.361 2.259 50 50 CEGA C[C@H](Oc1ccccc1F)[C@@H](C)NC(=O)CCl 1875364763 SWIOCZLFYFGOBT-BDAKNGLRSA-N 259.708 2.337 50 50 CEGA O=C(CCl)NC1CCC(O)(c2cccc(F)c2)CC1 1875375307 YMRPWYQJOGWCCY-UHFFFAOYSA-N 285.746 2.311 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2cn3c(n2)CCCC3)cc1 43763778 LFCMIUUAKTZQDZ-LICLKQGHSA-N 282.347 2.292 50 50 CEGA O=C(CCl)N(CCn1ccnc1)Cc1ccsc1 1875375211 VERORPJLDCEICO-UHFFFAOYSA-N 283.784 2.212 50 50 CEGA COc1ccc(F)cc1CC1(NC(=O)CCl)CC1 1875377535 GLVNIHMNQIBZOF-UHFFFAOYSA-N 271.719 2.264 50 50 CEGA CCOc1ccc2c(c1)[C@H](NC(=O)CCl)CCO2 1875375258 WKTFDVCSCDOQDF-LLVKDONJSA-N 269.728 2.264 50 50 CEGA CC1(C)SSC(=O)[C@@H]1NC(=O)c1ccccc1 281154 SYXLDBBQAZHBJL-VIFPVBQESA-N 267.375 2.485 50 50 CEGA CC(C)(C)CC(=O)NNC(=O)C1C(C)(C)C1(C)C 174069891 NYXUBLMOJBCHGR-UHFFFAOYSA-N 254.374 2.252 50 50 CEGA OB(O)c1c(OCc2ccccc2)ccc2ccccc12 169748197 COGFIOKWQKNPLW-UHFFFAOYSA-N 278.116 2.099 50 50 CEGA in-vitro O=C(N/N=C/C(Cl)=C/c1ccccc1)c1cnccn1 12560983 NXRIKYCPEHSUOH-VQLDENSZSA-N 286.722 2.472 50 50 CEGA CCO[C@@H]1C[C@H](NC(=O)[C@H](C)Cl)[C@@H]1Oc1ccccc1 1875380510 RCLDZGDVDRSATD-DEQVHRJGSA-N 297.782 2.355 50 50 CEGA CC[C@H]1CCCN(C(C)(C)CNC(=O)CCl)C1 1336909652 CONUJZVJUWFSLD-NSHDSACASA-N 260.809 2.242 50 50 CEGA CCOC(=O)[C@@H](Cl)P(=O)(OCC)OCC 2557079 PCDXCIMROXIFBI-ZETCQYMHSA-N 258.638 2.381 50 50 CEGA in-vitro CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccs1 75853 HFJIHLGXKJKPBA-GFCCVEGCSA-N 260.318 2.419 50 50 CEGA CCOC(=O)NNC(=O)Nc1cc(Cl)ccc1OC 2167113 ZFNZVBSTKVSXIP-UHFFFAOYSA-N 287.703 2.131 50 50 CEGA C[C@H](Cl)C(=O)N1CCCN2c3ccccc3C[C@@H]2C1 1875377425 DKEUMDBPUMZPNA-WCQYABFASA-N 278.783 2.277 50 50 CEGA C[C@H](c1ccc(NC(=O)CCl)cc1)N1CCOCC1 1320466706 NHELIJMWONPKLM-LLVKDONJSA-N 282.771 2.257 50 50 CEGA O=C(NNc1nccnc1Cl)[C@H]1C[C@H]1c1ccccc1 114895475 FUZVPERALXZKLU-QWRGUYRKSA-N 288.738 2.377 50 50 CEGA C[C@@H]1CCC[C@@H]1C(=O)NCCSSCCC(=O)O 1875388438 AWHDLAWPBIQAPW-ZJUUUORDSA-N 291.438 2.395 50 50 CEGA C[C@H](Cl)C(=O)N1C[C@@H]2CN(C)[C@H](c3ccccc3)[C@@H]2C1 1875364565 VQTZZUPOUPUOHM-SPWCGHHHSA-N 292.810 2.375 50 50 CEGA Cc1c(NC(=O)CCCl)c(=O)n(-c2ccccc2)n1C 5530696 SIIXXURPQMSLGR-UHFFFAOYSA-N 293.754 2.052 50 50 CEGA CCc1ccccc1OCC(=O)N/N=C/c1ccco1 281659 ZGEPHAJTPVLKQN-MHWRWJLKSA-N 272.304 2.371 50 50 CEGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)s1 296643 BVHDYHABFTUQIA-LBPRGKRZSA-N 290.344 2.311 50 50 CEGA CC(=O)Nc1c(C)ccc(CNC(=O)CCl)c1C 5750648 VVNDWBQXWXSLPK-UHFFFAOYSA-N 268.744 2.117 50 50 CEGA O=C(Nc1cnn(-c2ncccc2Cl)c1)[C@H](F)Cl 2325897760 HOFDDPQRXKOHQF-QMMMGPOBSA-N 289.097 2.394 50 50 CEGA NNC(=O)c1ccc2cc(Br)ccc2c1 38536993 MPSZGJYOWFYZDU-UHFFFAOYSA-N 265.110 2.206 50 50 CEGA in-vitro C/C(=N\NC(=O)[C@@H]1CCCO1)c1nc2ccccc2s1 222099052 YVCOFQXPRGDDOR-UJFYRASASA-N 289.360 2.316 50 50 CEGA O=C(NNc1cccc(Cl)n1)c1ccc2cc[nH]c2n1 817007933 WITCOJXJPYHFBB-UHFFFAOYSA-N 287.710 2.368 50 50 CEGA C/C(=N\NC(=O)c1ccccn1)c1ccc(F)cc1 4550637 QMRXUWJAUDXVTM-LICLKQGHSA-N 257.268 2.375 50 50 CEGA CC[C@H](Br)C(=O)Nc1cccc(C(=O)O)c1 61488591 KPMZYDGYQPSXIH-VIFPVBQESA-N 286.125 2.497 50 50 CEGA CCCCNC(=O)NNC(=O)c1ccc(Cl)cc1 3086064 FAHJFCKCADVCAG-UHFFFAOYSA-N 269.732 2.084 50 50 CEGA CCC(=O)Nc1ccc([C@H](C)NC(=O)CCl)cc1 1875362968 ZSRJSHAVZHTRDO-VIFPVBQESA-N 268.744 2.451 50 50 CEGA C[C@@H](NC(=O)CCl)c1cnn(CC2CCC2)c1 1335151282 WBAXQSAKUJJDPR-SECBINFHSA-N 255.749 2.099 50 50 CEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(F)cc1 55744 SLORFVUAAWOOKM-RQZCQDPDSA-N 288.326 2.249 50 50 CEGA CCC(CC)COC(=O)/C(C#N)=C/C=C1/OCCN1C 4831633 XWUMAVVKYDCVBR-AANLELRNSA-N 278.352 2.219 50 50 CEGA COC(=O)Cc1ccc(CCBr)cc1 95496324 QXRJAWGFXUBQGW-UHFFFAOYSA-N 257.127 2.340 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@@]23CCCC[C@@]32CCCO[C@@H]12 257355625 BTHDCVWRZZVAES-IAEMXTMZSA-N 288.343 2.228 50 50 CEGA CCn1cc(C2CCN(C(=O)[C@H](C)Cl)CC2)cn1 1875364447 MVRXCHPMLYICLB-JTQLQIEISA-N 269.776 2.236 50 50 CEGA C[C@@H](Cl)C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O 1875375956 KKKSNTCTACNYKK-KDILMLJESA-N 289.784 2.065 50 50 CEGA O=C(CCl)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 1875377877 PULGDCINEMZZCY-ZDUSSCGKSA-N 288.174 2.397 50 50 CEGA CCOc1ccccc1/C=N/NC(=O)c1ccco1 227694 QCWSFRQABXEZPX-XNTDXEJSSA-N 258.277 2.442 50 50 CEGA C[C@H](Cl)C(=O)NCc1cc(COC(C)(C)C)on1 1875366503 QEAPPQLZOQIHCS-QMMMGPOBSA-N 274.748 2.233 50 50 CEGA COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCl 530180 YTFWOQWIPJQZJO-UHFFFAOYSA-N 296.710 2.140 50 50 CEGA Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccccn2)c1 238950404 XXPBOPJXPWZIMZ-ZDUSSCGKSA-N 283.331 2.308 50 50 CEGA C[C@H](Cl)C(=O)N1CCOc2cc(N(C)C)ccc21 1875364160 GIYKAVBZIMHKTR-VIFPVBQESA-N 268.744 2.105 50 50 CEGA COC(=O)[C@@H](Br)CCCBr 100020973 YVHCGWPKBSEBTH-YFKPBYRVSA-N 273.952 2.098 50 50 CEGA in-vitro CC(=O)O[C@@H]1C=C[C@@H]2[C@H]3C=C[C@@H]([C@@H]3Br)[C@@H]21 257357780 PVTYTHDWFCMPGF-PAUJSFGCSA-N 269.138 2.300 50 50 CEGA C[C@H](Br)C(=O)NCc1cc(F)cc(F)c1 1267971646 PRSMKORICBAQOA-LURJTMIESA-N 278.096 2.364 50 50 CEGA Cc1[nH]nc2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 5126352 VCYNMKHKCLKODE-GFCCVEGCSA-N 270.267 2.075 50 50 CEGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccccc1 58769 WGEMWNLLRMXKMZ-HNNXBMFYSA-N 263.300 2.487 50 50 CEGA CO[C@@H](C(=O)N/N=C/c1ccccc1O)c1ccccc1 4956191 UYCQVBUZGMSBAI-QAEAHILHSA-N 284.315 2.230 50 50 CEGA CC(C)c1ccc([C@H]2Nc3ncnn3C(N)=C2C#N)cc1 6755255 UWHSRBPOHIGYMW-CYBMUJFWSA-N 280.335 2.219 50 50 CEGA O=P(c1ccccc1)(c1ccccc1)[C@H]1COCCO1 1233436 WRBKJIRJPFYMCG-INIZCTEOSA-N 288.283 2.373 50 50 CEGA CC(C)(C)OC(=O)N[C@H]1CCC(=O)[C@H](Br)C1 95630343 ORMQSOBDBIXCHD-JGVFFNPUSA-N 292.173 2.396 50 50 CEGA in-vitro O=C(O)[C@@H]1C[C@H](Br)[C@H](Br)C1 238881551 ASIZXNHIJAQVTG-ZXFHETKHSA-N 271.936 2.008 50 50 CEGA CCOC(=O)N/N=C(\C)Cc1ccc2c(c1)OCO2 23114842 XQOHFFRMILYQSM-NTEUORMPSA-N 264.281 2.080 50 50 CEGA COc1ccc(/C=C2/C(=O)ON=C2CCl)cc1 34926713 DTRMQQWIXCXOJT-UXBLZVDNSA-N 251.669 2.230 50 50 CEGA O=C(CCl)N[C@@H]1CCCOc2c(F)cccc21 1875378205 XHOKISKHSJBWQT-SNVBAGLBSA-N 257.692 2.394 50 50 CEGA CCNC(=O)N(C)NC(=O)[C@@H](CC)Sc1ccccc1 272636560 CNTLCJJRBJCYQV-GFCCVEGCSA-N 295.408 2.250 50 50 CEGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)s2)[nH]n1 18284491 ONBLGGSPOFPUIU-LFYBBSHMSA-N 268.729 2.197 50 50 CEGA O=C1CO[C@@H](CCBr)CN1Cc1ccccc1 306441179 LDTGBXVKHDUTDF-LBPRGKRZSA-N 298.180 2.199 50 50 CEGA C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 4551820 IDBFDJNMJHDZQP-MHWRWJLKSA-N 268.320 2.052 50 50 CEGA O=C(NNC(=O)c1ccco1)c1cccc(Cl)c1 299701 ANJDUBHNTLZEEY-UHFFFAOYSA-N 264.668 2.008 50 50 CEGA O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1 4119246 OALXUDSQCVXRJC-UHFFFAOYSA-N 257.249 2.352 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccccc2C)c1O 271313 DILGTSFEUFRIJT-LICLKQGHSA-N 284.315 2.473 50 50 CEGA CCSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 8995985 UCUOILARXZVKQZ-NSHDSACASA-N 274.345 2.484 50 50 CEGA COc1cccc(/C=C2/C(=O)ON=C2CCl)c1OC 34926708 UHCCFPXMOUQFDK-RMKNXTFCSA-N 281.695 2.239 50 50 CEGA O=C(NNc1cnccn1)[C@@H]1C[C@H]1c1ccccc1Cl 114881433 ZJTYZPHQPKEHEX-WDEREUQCSA-N 288.738 2.377 50 50 CEGA O=C1OC(=O)[C@@]23CC=CC[C@]12Cc1ccccc1C3 101046557 CWWVRQFXHCWZDC-HOTGVXAUSA-N 254.285 2.191 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)c1cccc(C)c1O 299630 PHOJTWNDTQSMKX-UHFFFAOYSA-N 284.315 2.084 50 50 CEGA CCOC(=O)NNC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 216330113 DVWYAQGOINMJHN-ISTVAULSSA-N 283.372 2.162 50 50 CEGA COC(=O)N[C@@H]1CC=C(C)C[C@H]1I 43761531 RNELBAXLCYCBMF-HTQZYQBOSA-N 295.120 2.255 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1CCc2ccccc2OC1 1875378142 WIUODIBCTGQONM-GXSJLCMTSA-N 253.729 2.124 50 50 CEGA CC(C)[Si](C(C)C)(C(C)C)n1ccc(B(O)O)c1 169748355 HUBVAOMVEMGRFA-UHFFFAOYSA-N 267.254 2.192 50 50 CEGA in-vitro Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1 5317901 BHDBUQHHUVAKJB-WOJGMQOQSA-N 292.342 2.495 50 50 CEGA Cc1cc2c(c(=O)o1)[C@H](c1ccccc1)C(C#N)=C(N)O2 48899 YUBIPEJSAWGMBV-CYBMUJFWSA-N 280.283 2.166 50 50 CEGA biogenic CCCCCCCCCOc1ccc(B(O)O)cc1 169806753 XAJSPPCQRRBXGB-UHFFFAOYSA-N 264.174 2.496 50 50 CEGA COC(=O)c1ccc(NC(=O)C(Cl)Cl)cc1 2821157 NIZIWZXREOLGJS-UHFFFAOYSA-N 262.092 2.215 50 50 CEGA CC[C@@H](Br)C(=O)NCCCN(CC)CC 32919661 SRHPKKPTXFUXHX-SNVBAGLBSA-N 279.222 2.008 50 50 CEGA BrCc1ccc(Br)nn1 95093374 LTHIEXNTCQANET-UHFFFAOYSA-N 251.909 2.134 50 50 CEGA CC(C)[C@H](NC(=O)/C(C#N)=C/C1CC1)c1cnn(C)c1 1875367039 PZZYORUBPAOEPN-CYIWUNGXSA-N 272.352 2.093 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 1875366398 GYHYGHOTNNQONR-ODQYCLEESA-N 253.704 2.207 50 50 CEGA COc1cc(/C(C)=N/NC(=O)c2ccc(C)o2)ccc1O 434016 SIIJVQMRIKSKDS-MHWRWJLKSA-N 288.303 2.456 50 50 CEGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2O)[nH]n1 18148770 BXLRSAILPHGXJT-CXUHLZMHSA-N 286.335 2.177 50 50 CEGA Cc1cc(C)nc(SCC(=O)NN=C2CCCC2)n1 71437 KONBKFWHCKWOFU-UHFFFAOYSA-N 278.381 2.232 50 50 CEGA NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 45293 YYENULVFQZUKFD-UHFFFAOYSA-N 278.315 2.143 50 50 CEGA COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1O 59718693 HSLJCVFRPDQHIY-MFOYZWKCSA-N 288.278 2.304 50 50 CEGA C[C@@H](Cl)C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1 1875378094 VPRMOZPEZQPVOD-RNCFNFMXSA-N 295.745 2.392 50 50 CEGA Cc1cccc(C(=O)N/N=C/c2ccc(O)cc2)c1 244887 QCRJLLMLXQAHOE-MHWRWJLKSA-N 254.289 2.465 50 50 CEGA Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1C[C@H]1CCCO1 3300676 ZUEPDPWATBVSFH-WTWVRAIASA-N 274.320 2.276 50 50 CEGA COc1ccc(NC(=O)[C@@H](C)Br)cc1 4739123 OHKOKTSMJKGAHR-SSDOTTSWSA-N 258.115 2.417 50 50 CEGA Cc1ccc(C)c2c1[C@H]1C=C[C@H]2[C@H]2C(=O)OC(=O)[C@H]12 101021359 RGVJSMKRCNBIRS-DMTCVQMQSA-N 254.285 2.370 50 50 CEGA C[C@@H](NC(=O)CCl)c1cc(F)ccc1N(C)C 1875368201 YPUWDKBKTYMKHI-MRVPVSSYSA-N 258.724 2.308 50 50 CEGA Cc1cccc2oc(CCNC(=O)[C@@H](C)Cl)nc12 1875362981 BUTXVFHGVVRRPD-SECBINFHSA-N 266.728 2.422 50 50 CEGA Cc1ccc(NC(=O)CCl)cc1N1CCOC1=O 1336910057 MSHUNTDOMWJURU-UHFFFAOYSA-N 268.700 2.129 50 50 CEGA CCO[Si](OCC)(c1ccccc1)c1ccccc1 169744948 ZZNQQQWFKKTOSD-UHFFFAOYSA-N 272.420 2.316 50 50 CEGA in-vitro Cc1ccc(OCc2ccc(C(=O)NN)o2)c(C)c1 2568602 LNSRMIZOLZVCRK-UHFFFAOYSA-N 260.293 2.079 50 50 CEGA O=C(CBr)c1ccc([N+](=O)[O-])c(F)c1 238581330 QNNOWQJHFGXNJS-UHFFFAOYSA-N 262.034 2.312 50 50 CEGA Cc1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1 45235 JNSUFTSOLJVBRR-UHFFFAOYSA-N 299.330 2.227 50 50 CEGA Cc1cccc(Cl)c1OCc1ccc(C(=O)NN)o1 2568604 LWJMICYZGOIFLF-UHFFFAOYSA-N 280.711 2.424 50 50 CEGA COc1cccc(NC(=O)CBr)c1OC 253577555 XEWCMFRCRPUSHM-UHFFFAOYSA-N 274.114 2.037 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 1875380233 JCGLTAMSORQZDF-LEWSCRJBSA-N 289.766 2.472 50 50 CEGA CC[Si](CC)(CC)c1cc2cccc(B(O)O)c2s1 169905264 ATBZXNSUWPJLEO-UHFFFAOYSA-N 292.285 2.297 50 50 CEGA in-vitro C[C@H]1CN(c2ncc(C=C(C#N)C#N)s2)C[C@H](C)O1 1386771 ABQQEGYUXQPGPF-UWVGGRQHSA-N 274.349 2.187 50 50 CEGA COC(=O)c1ccc(OC)cc1CBr 2599122 KXENUXLNAPNGAC-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA in-vitro CO[C@@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245256959 UPQWOGYWJGJJFP-FSIIMWSLSA-N 297.626 2.464 50 50 CEGA Cn1ccc(N(Cc2ccccc2)C(=O)CCl)n1 1875380970 GBQDILVTDPKMLQ-UHFFFAOYSA-N 263.728 2.192 50 50 CEGA C[C@@H](Cl)C(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1 1875378093 VPRMOZPEZQPVOD-NOZJJQNGSA-N 295.745 2.392 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1O)C1CCCCC1 510969 OGIMFGOXDBVEEH-OQLLNIDSSA-N 262.309 2.128 50 50 CEGA CCc1ccc(/C=N/NC(=O)c2ccccn2)cc1 227853 KQGQCIDNQUHGHZ-GZTJUZNOSA-N 253.305 2.408 50 50 CEGA CC(C)/C=N/NC(=O)c1cccc(N2CCCC2=O)c1 4975964 MXBSMMHMMWMJCR-MHWRWJLKSA-N 273.336 2.185 50 50 CEGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 4611026 KLNUQYNUJFEMCI-MHWRWJLKSA-N 284.275 2.144 50 50 CEGA CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NN 2783013 HVRRNLLXVRVMLI-MRVPVSSYSA-N 263.124 2.141 50 50 CEGA Cc1cccc(NC(=S)NNC(=O)c2ccco2)c1 13483412 SDNXXGICTKOJSY-UHFFFAOYSA-N 275.333 2.219 50 50 CEGA CC(C)(C)[C@]1(C)O[C@](O)(C(Cl)Cl)CC1=O 447368 ADFBOHINSCUDJG-ZJUUUORDSA-N 255.141 2.273 50 50 CEGA CC(C)(C)OC(=O)N1CCO[C@@H](CBr)C1 82046919 RLXCSEPIBOWMOJ-QMMMGPOBSA-N 280.162 2.017 50 50 CEGA CC(C)(C)[Si](ON)(c1ccccc1)c1ccccc1 169869780 PWTWOGMXABHJOA-UHFFFAOYSA-N 271.436 2.437 50 50 CEGA in-vitro C[C@@H](Cl)C(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C 1875377452 DXQJQVYDTNMDEP-NXEZZACHSA-N 296.802 2.466 50 50 CEGA C[C@@H](Br)[C@@](C)(Br)C(=O)O 5046371 WWYSKCWQDVVVKF-NQXXGFSBSA-N 259.925 2.008 50 50 CEGA Cc1csc(C2(NC(=O)[C@@H](C)Cl)CCOCC2)n1 1875378089 VOSAYOXSJVHQOR-SECBINFHSA-N 288.800 2.201 50 50 CEGA O=C(CCl)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 1261636394 IRKDZFXKCOEKFG-VIFPVBQESA-N 299.720 2.433 50 50 CEGA CCc1[nH]nc2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2 8680677 QKCKCQDAMDBKOO-JTQLQIEISA-N 272.333 2.252 50 50 CEGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)ccc1O 252320659 JDQROOBALINTLI-QIEDYYHASA-N 288.347 2.287 50 50 CEGA O=C(CCl)N1CC2(CCOCC2)Oc2ccccc21 1875368008 IMIJXFXHMHPFFF-UHFFFAOYSA-N 281.739 2.200 50 50 CEGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1 143227 JAMQLJVXPNHYPI-CQSZACIVSA-N 254.289 2.357 50 50 CEGA CCOC(=O)[C@@H](Br)CCBr 1690409 VNXZZPZKCMJBME-YFKPBYRVSA-N 273.952 2.098 50 50 CEGA Cc1ccc(OCC(=O)N/N=C\c2ccco2)cc1 4989863 FSCMJDCYOMRZON-DHDCSXOGSA-N 258.277 2.117 50 50 CEGA O=C(CCl)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 1319675293 ZDQJZNVIFUIWOP-AWEZNQCLSA-N 285.746 2.337 50 50 CEGA C[C@H](Cl)C(=O)N1Cc2ccccc2N(C)C[C@@H]1C 1875366076 JPSQUOIDDKVSGD-QWRGUYRKSA-N 266.772 2.481 50 50 CEGA CCCCOc1ccc(/C=N/NC(=O)c2cnccn2)cc1 5615083 CMAGDBFTHJAIGF-YBFXNURJSA-N 298.346 2.419 50 50 CEGA CC1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC(=O)NN 241588494 PDQSVGLZIOOWSJ-BHTHQVBYSA-N 282.428 2.360 50 50 CEGA CC(=N\O)/C(C)=N/NC(=O)c1ccc(Cl)cc1 2325809697 ZDVAQXCTCBVKNI-KUADPSCUSA-N 253.689 2.296 50 50 CEGA CC(=O)/C(C)=N/NC(=O)Cc1cccc2ccccc12 2325809578 KYOFHSDXNVRFFI-GZTJUZNOSA-N 268.316 2.463 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1ccc2[nH]cnc2c1 4864328 OOESZCGXCUXTAS-DJKKODMXSA-N 294.314 2.335 50 50 CEGA O=C(CCl)NCCc1c[nH]c2c(F)c(F)c(F)cc12 1875374140 CBXZPKKNEGHATB-UHFFFAOYSA-N 290.672 2.483 50 50 CEGA Cc1cccnc1C1(CNC(=O)[C@@H](C)Cl)CC1 1875377813 OGWWSFSSSQRNNV-SNVBAGLBSA-N 252.745 2.165 50 50 CEGA C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 4577553 QBZRUMJYBLEFNQ-MHWRWJLKSA-N 299.286 2.454 50 50 CEGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccnc1 241019 KGOHKIXLJKJVSY-YMTOWFKASA-N 281.315 2.142 50 50 CEGA O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 3141534 GHSPAUNVOVRGKH-GJZGRUSLSA-N 280.327 2.251 50 50 CEGA O=C(NNc1nccnc1Cl)[C@@H]1C[C@H]1c1ccccc1 114895479 FUZVPERALXZKLU-WDEREUQCSA-N 288.738 2.377 50 50 CEGA Cc1cc(B(O)O)ccc1CO[Si](C)(C)C(C)(C)C 242548271 LGWCJRIVXJRWOC-UHFFFAOYSA-N 280.249 2.197 50 50 CEGA C[C@H](Cl)C(=O)N(Cc1ccco1)C1CCN(C)CC1 1775949739 LOODUNMMAFUFEU-NSHDSACASA-N 284.787 2.330 50 50 CEGA COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1 57033 OGWHNVROOPHRTF-OAHLLOKOSA-N 284.315 2.366 50 50 CEGA N#C/C(=C\c1cc2c3c(c1)CCCN3CCC2)C(=O)O 3871914 JXENNHTVELFRHV-NTEUORMPSA-N 268.316 2.377 50 50 CEGA in-vitro COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 246026 VMXWXBQXFNBTQU-RQZCQDPDSA-N 298.298 2.188 50 50 CEGA C[C@H]1C(=O)[C@@]2(CO)O[C@H]1C[C@H]2O[Si](C)(C)C(C)(C)C 257356171 GMDNMPHDQFXAOJ-DEKYYXRVSA-N 286.444 2.116 50 50 CEGA CC(C)(C)c1n[nH]c2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 4718510 AHBJGTHUXDILJW-NSHDSACASA-N 295.346 2.320 50 50 CEGA C[C@@H](NC(=O)CI)c1ccccc1 6853023 FGQFQEPWENBEJW-MRVPVSSYSA-N 289.116 2.299 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)c1ccccc1 146451 VGBSIZCMXZBSKT-UHFFFAOYSA-N 254.289 2.070 50 50 CEGA OB(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 169922482 JVNVVJSQSXECFD-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro Cc1cc2c(c(=O)o1)[C@H](c1ccsc1)C(C#N)=C(N)O2 58325 GVXTZRBILJDTHV-LLVKDONJSA-N 286.312 2.228 50 50 CEGA COc1ccccc1/C=N/NC(=O)c1ccccc1N 299754 CYEPLTYHNVMZJY-LICLKQGHSA-N 269.304 2.041 50 50 CEGA CCOC(=O)/C(C#N)=C\N1CCCc2ccccc21 4530385 CQQPOEPVLMKPHG-QBFSEMIESA-N 256.305 2.410 50 50 CEGA C/C(=N\NC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 4948721 GNEVDSGKJWLQKK-NTEUORMPSA-N 273.248 2.342 50 50 CEGA NNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 34925082 YQIWMXBIDXHIHN-UHFFFAOYSA-N 289.722 2.196 50 50 CEGA Cc1ccc([P+](C)(c2ccc(C)o2)N2CCOCC2)o1 97950874 YFHBODLHQXMLDI-UHFFFAOYSA-N 294.311 2.335 50 50 CEGA C[C@@H](Cl)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1875380458 PKPYTIBFZRJPTO-SECBINFHSA-N 288.738 2.192 50 50 CEGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1 5494689 NUJKMEFAWSTNRK-LICLKQGHSA-N 285.303 2.392 50 50 CEGA COc1ccc(NCC(=O)N/N=C/c2ccccc2)cc1 584008 FIOYAFWMKNIUDA-WOJGMQOQSA-N 283.331 2.257 50 50 CEGA Cc1ccccc1C1C(C#N)=C(N)SC(N)=C1C#N 58720 IOFODHFIISYXLF-UHFFFAOYSA-N 268.345 2.213 50 50 CEGA O=S(=O)(CCc1ccccc1)C(Cl)Cl 101037764 BDVCEOGJDPQURX-UHFFFAOYSA-N 253.150 2.405 50 50 CEGA CN(Cc1nccn1Cc1ccccc1)C(=O)CCl 1341523651 GIXXBGNVDJZXAR-UHFFFAOYSA-N 277.755 2.129 50 50 CEGA COc1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1OC 4737815 JPELIUSDCXZVGB-WOJGMQOQSA-N 299.330 2.253 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1CCO[C@H](c2cccnc2)C1 1875378285 YVCISZHFYZZODX-DLOVCJGASA-N 268.744 2.045 50 50 CEGA COC(=O)c1ccccc1NC(=O)[C@@H](C)Br 284256 KDPIYMUBWRDQJA-SSDOTTSWSA-N 286.125 2.195 50 50 CEGA ClCNCNc1ccc(I)cc1 25559366 IEKLVMVJLBGTDI-UHFFFAOYSA-N 296.539 2.447 50 50 CEGA O=C(N/N=C/c1ccccc1F)c1ccc(O)cc1 83908 CODJSZHMNPBPGZ-CXUHLZMHSA-N 258.252 2.295 50 50 CEGA O=C(CN1CCCCCC1)N/N=C/c1ccc(F)cc1F 283408 CLXYVDDQIFPJEE-VCHYOVAHSA-N 295.333 2.291 50 50 CEGA C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1ccc(N)cc1 56101 KNAGRWPLKVPAER-VCHYOVAHSA-N 299.378 2.082 50 50 CEGA Cc1cccc(C(=O)NNC(=O)c2ccccc2C)c1 143059 CJGNHDAWNDMNHI-UHFFFAOYSA-N 268.316 2.378 50 50 CEGA NNC(=O)CCn1c2c(c3ccccc31)CCCCC2 184724 BRAULAAWCQTGCL-UHFFFAOYSA-N 271.364 2.290 50 50 CEGA C/C(Cc1ccc2c(c1)OCO2)=N\NC(=O)c1cccnc1 4737798 ICEPVRBEOUKZGQ-WOJGMQOQSA-N 297.314 2.159 50 50 CEGA CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 175737 MKRUTJMDHMJJRI-RIYZIHGNSA-N 273.248 2.325 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2[nH]nc3c2CCCC3)cc1 18066566 WKKLZIQHOXPLLZ-LICLKQGHSA-N 282.347 2.361 50 50 CEGA CSC1=C(C#N)[C@](C)(c2ccccc2)[C@H](C#N)C(=O)N1 208399 JLKKGHXMXMBBIT-IAQYHMDHSA-N 283.356 2.312 50 50 CEGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 245226693 IPDUMBBHVFXDDF-GNYVBIIRSA-N 291.307 2.464 50 50 CEGA O=C(CBr)OCc1ccc([N+](=O)[O-])cc1 2510136 ADHFTAKIDKDGBV-UHFFFAOYSA-N 274.070 2.033 50 50 CEGA in-vitro CN(C)/C=C(\C#N)c1nc(=O)c2ccccc2s1 1385234 MYMCRUWTLYXHQZ-CMDGGOBGSA-N 257.318 2.083 50 50 CEGA BrC[C@H]1CSc2nnc(-c3ccncc3)n21 12505874 KTLBFGKSBHWUNS-QMMMGPOBSA-N 297.181 2.382 50 50 CEGA C[C@H](CCl)OC(=O)Cn1c(=O)sc2ccccc21 3106393 PIESLUXRUVSAHB-MRVPVSSYSA-N 285.752 2.234 50 50 CEGA CC(C)Cc1ccc(-c2cc(C(=O)NN)no2)cc1 25757727 SJCLBNHCDVYAHY-UHFFFAOYSA-N 259.309 2.144 50 50 CEGA Cc1ccc(O[C@@H](C)C(=O)NN=Cc2ccccn2)cc1 238924069 QRTJFNKOXXNQRB-ZDUSSCGKSA-N 283.331 2.308 50 50 CEGA O=C(CCc1ccccc1)NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 244811521 SFYGJQYIUTWGDL-FOLVSLTJSA-N 286.375 2.203 50 50 CEGA COc1ccc(C[C@@H]2CCN2C(=O)[C@H](C)Cl)cc1 1875364088 IFCDMFWEUMXGSU-JQWIXIFHSA-N 267.756 2.466 50 50 CEGA C[C@@H](Br)C(=O)NCc1cc(F)cc(F)c1 1267971647 PRSMKORICBAQOA-ZCFIWIBFSA-N 278.096 2.364 50 50 CEGA N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccnc1 227267 SPBSTNSPMBZAJB-RIYZIHGNSA-N 281.290 2.444 50 50 CEGA CCOc1ccc(CCNC(=O)CCl)cc1OCC 3268133 ZQUNBDHAPOPRLA-UHFFFAOYSA-N 285.771 2.382 50 50 CEGA C[C@H](Cl)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 1875378031 ULJJTUJOIVWXEW-JSGCOSHPSA-N 281.783 2.474 50 50 CEGA OB(O)c1ccc(OCc2ccccc2Cl)c(Cl)c1 169877153 LWCZZSFOCSCENS-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2)[nH]n1 175821 YKNCHILAMPMLRP-MHWRWJLKSA-N 270.336 2.471 50 50 CEGA O=C=NC1CCN(C(=O)OCc2ccccc2)CC1 158640 JBQXPARAPVCGFW-UHFFFAOYSA-N 260.293 2.123 50 50 CEGA C/C(=N\NC(=O)c1ccc2[nH]cnc2c1)c1ccc(O)cc1 28351899 FKPHWXFWWXYUGI-VXLYETTFSA-N 294.314 2.423 50 50 CEGA CCc1ccc(OCc2ccc(C(=O)NN)cc2)cc1 375609 IRKOGRGRIRQEJL-UHFFFAOYSA-N 270.332 2.432 50 50 CEGA COC(=O)c1ccc(OC)c(-c2noc(CCl)n2)c1 34924972 XMNNMKJEUAPMAY-UHFFFAOYSA-N 282.683 2.271 50 50 CEGA Cc1ccc(/C=N/NC(=O)Cc2ccccc2)c(O)c1 298595 YNSKLMQPBIBCFS-GZTJUZNOSA-N 268.316 2.393 50 50 CEGA COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1O 249434 XGHJUNGQUGNFCJ-OVCLIPMQSA-N 274.276 2.066 50 50 CEGA O=C(N/N=C1\CCc2ccccc21)c1ccccc1O 4976268 PLTOYFFUSQVNND-SAPNQHFASA-N 266.300 2.473 50 50 CEGA C[C@@H](Cl)C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1875375804 IUJNUBFJWBFSCT-NEPJUHHUSA-N 294.782 2.125 50 50 CEGA Cc1cc(C(=O)N/N=C/c2cccc(O)c2)c(C)o1 228271 UGSYVANQKUMOTG-OVCLIPMQSA-N 258.277 2.366 50 50 CEGA O=C(CCCl)NCCc1c[nH]c2ccccc12 2224852 OPKXWASJTNADKA-UHFFFAOYSA-N 250.729 2.456 50 50 CEGA C[C@@H](Cl)C(=O)NCc1cc(COC(C)(C)C)on1 1875366502 QEAPPQLZOQIHCS-MRVPVSSYSA-N 274.748 2.233 50 50 CEGA C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@@H](C)Cl 1875364441 QRUMMQDMMCUOEI-NXEZZACHSA-N 283.755 2.480 50 50 CEGA Cc1c(O)ccc2c1OC(N)=C(C#N)[C@@H]2c1cccnc1 287274 GYWKBJWXPMFAJB-CQSZACIVSA-N 279.299 2.314 50 50 CEGA Cc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1 32666323 CFSQHJXRIUXOIN-YBEGLDIGSA-N 254.289 2.465 50 50 CEGA CC(C)(C)OC(=O)N[C@H]1CCC(=O)[C@@H](Br)C1 95630345 ORMQSOBDBIXCHD-YUMQZZPRSA-N 292.173 2.396 50 50 CEGA in-vitro COc1cc(/C(C)=N/NC(=O)c2ccoc2C)ccc1O 232436 CHHFBAQHWQSUHN-CXUHLZMHSA-N 288.303 2.456 50 50 CEGA O=C(CCl)N1CCOCC[C@@H]1c1ccccc1 1875369855 MJHBSFBKTPKSCN-GFCCVEGCSA-N 253.729 2.215 50 50 CEGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc(O)c1 284724 CTLIOFRYDKNJKT-OAHLLOKOSA-N 280.283 2.316 50 50 CEGA CCCc1c(C(=O)NN)cnn1-c1ccc(Cl)cc1 2513572 WOPOWQZAYKBQHZ-UHFFFAOYSA-N 278.743 2.082 50 50 CEGA C/C(=N\NC(=O)c1cccnc1)[C@@H]1COc2ccccc2O1 12343250 OHSOTCFOFXZEMU-LZNAANCOSA-N 297.314 2.027 50 50 CEGA O=C(NNC(=O)c1ccc(Cl)cc1)c1ccccc1 568821 VISUYFXBNVYTOP-UHFFFAOYSA-N 274.707 2.415 50 50 CEGA CC1(C)CCC[C@@]2(C)[C@H](CC(=O)NN)[C@@](C)(O)CC[C@H]12 241588495 PDQSVGLZIOOWSJ-KOZAUXTDSA-N 282.428 2.360 50 50 CEGA O=C(CCl)N1CCN(C2CC2)c2ccc(F)cc21 1875377774 NEQZAVVNWYUXII-UHFFFAOYSA-N 268.719 2.380 50 50 CEGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1cccnc1 2338855 KNIRURVIOAXZHB-JNSVMGHMSA-N 296.286 2.419 50 50 CEGA CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)cccc21 169745052 PTZKCFPZTHUQTI-UHFFFAOYSA-N 275.233 2.174 50 50 CEGA CCOC(=O)/C(C#N)=C\c1cccc(OC)c1OC 4582649 ROKZGGFXDOZPCY-FLIBITNWSA-N 261.277 2.174 50 50 CEGA C[C@@H](Cl)C(=O)Nc1ccc([C@@H]2CCC(=O)N2)cc1 1875368087 PBAKGJDSUIEARP-KCJUWKMLSA-N 266.728 2.204 50 50 CEGA COc1ccccc1[C@H]1C[C@H](NC(=O)CCl)C1 1875370135 CSCQFVDXIVWDPC-MGCOHNPYSA-N 253.729 2.296 50 50 CEGA O=C(NN=Cc1ccc2c(c1)CCC2)[C@H](O)c1ccccc1 4582371 OMWPCNMEBNUEHW-QGZVFWFLSA-N 294.354 2.359 50 50 CEGA COCCCNC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1 5879608 MQIBOQNMDDMOPP-GDNBJRDFSA-N 298.342 2.065 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccco2)n[nH]1 5402873 VDAPVIGWBDNYEJ-CXUHLZMHSA-N 296.286 2.139 50 50 CEGA CC(=O)NNC(=O)c1sc2ccccc2c1Cl 327851 FPOOBPNKKQJCGC-UHFFFAOYSA-N 268.725 2.336 50 50 CEGA O=C(N/N=C/c1cccc2cccnc12)c1ccncc1 434961 IJNSAVFQLGLHLP-YBFXNURJSA-N 276.299 2.394 50 50 CEGA CCOC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C 17028424 NDYRHNGDLDUAFF-UHFFFAOYSA-N 286.740 2.209 50 50 CEGA C[C@H](Oc1ccccc1)C(=O)NN=Cc1ccc(O)cc1 238900029 HTSFWLZHGCFJMX-LBPRGKRZSA-N 284.315 2.310 50 50 CEGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1 4474627 KLRJLTMHXLLGTJ-MHWRWJLKSA-N 284.275 2.144 50 50 CEGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccco1 293437 BFLOUWWCZJGLNU-ISVAXAHUSA-N 270.288 2.340 50 50 CEGA CC(C)(C)OC(=O)N/N=C(\N)c1ccc(Cl)cc1 43769307 NZDOTNQVDIKXBW-UHFFFAOYSA-N 269.732 2.485 50 50 CEGA COc1ccccc1C1(NC(=O)CCl)CCC1 1341509910 RFTZLQJRNMDZGV-UHFFFAOYSA-N 253.729 2.429 50 50 CEGA Cc1cccc(C(=O)N/N=C/c2cccc(O)c2O)c1 175329 DWBJJMZLURBSAN-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA Cc1occc1C(=O)N/N=C/c1ccc2c(c1)OCO2 249451 FYKOPHGQFPBGGR-VIZOYTHASA-N 272.260 2.081 50 50 CEGA C[C@H](c1ccccc1)N1C[C@H](C(=O)Cl)CC1=O 33435320 GLQDYQMUQCZQTC-MWLCHTKSSA-N 251.713 2.362 50 50 CEGA O=C(OCc1ccccc1)N1CC(Br)C1 19795773 SUBBMOROFINEHA-UHFFFAOYSA-N 270.126 2.402 50 50 CEGA N#CC(NS(=O)(=O)c1ccccc1)=C(Cl)Cl 3160560 DBJFLUXKHLEPMV-UHFFFAOYSA-N 277.132 2.135 50 50 CEGA CSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1 9089302 WIGOMWGYVUEZHC-SNVBAGLBSA-N 260.318 2.094 50 50 CEGA CCN(CC)c1ccc(/C=N/NC(=O)c2cnccn2)cc1 228562 HZKMQOSQJCPWQD-YBFXNURJSA-N 297.362 2.087 50 50 CEGA CC(=C/c1ccccc1)/C=N/NC(=O)c1cnccn1 548349 PSYVCDUKYHYIAD-QHSPSIEVSA-N 266.304 2.296 50 50 CEGA CC(=O)Nc1ccc(C(=O)CBr)cc1 14806673 BDOHURFEYYDIQE-UHFFFAOYSA-N 256.099 2.223 50 50 CEGA in-vitro O=C(NNC(=O)c1ccccc1)Oc1ccccc1 290792 WWFVUGJXOSYCLO-UHFFFAOYSA-N 256.261 2.120 50 50 CEGA Cc1ncccc1OC[C@H]1CCCN1C(=O)[C@H](C)Cl 1875377270 BFHNNLBQMUHMQO-CMPLNLGQSA-N 282.771 2.387 50 50 CEGA COc1cc(NC(=O)CCl)ccc1N1CCCCC1=O 1875367962 DGTUKWDJZMGYPU-UHFFFAOYSA-N 296.754 2.389 50 50 CEGA CC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1 568823 JLOBCDXETDQTJQ-UHFFFAOYSA-N 254.717 2.147 50 50 CEGA O=C1[C@H](Br)CC[C@@]2(CCCO2)[C@@]12CCCO2 34461522 YFESEYVUUXVHRB-ADEWGFFLSA-N 289.169 2.211 50 50 CEGA COc1ccc(NC(=O)[C@H](C)Br)c(OC)c1 41181210 KVXAXEZTVSKABG-ZETCQYMHSA-N 288.141 2.426 50 50 CEGA O=C(CCl)NCCc1ncc(-c2ccc(F)cc2)[nH]1 1875364881 XDIYUOWSXQMERU-UHFFFAOYSA-N 281.718 2.113 50 50 CEGA C[C@@H](NC(=O)CCl)[C@@H](C)Oc1ccccc1F 1875364766 SWIOCZLFYFGOBT-RKDXNWHRSA-N 259.708 2.337 50 50 CEGA CCC1(CC)[C@H]2NC(Cl)=C(C#N)[C@@]1(C#N)C(=N)O2 138757449 NEVVNHXQQGYZKZ-JQWIXIFHSA-N 264.716 2.214 50 50 CEGA Cc1n[nH]c2c1[C@@H]([C@H]1CC=CCC1)C(C#N)=C(N)O2 18122910 PYJNQKPKIDDXIF-CABZTGNLSA-N 256.309 2.244 50 50 CEGA O=S(=O)(NCCBr)c1cccc(Cl)c1 15442756 ZSBWTWKGKHHZDQ-UHFFFAOYSA-N 298.589 2.013 50 50 CEGA CCN(CC)[C@@H](CNC(=O)[C@@H](C)Cl)c1ccco1 1875363505 FSROBUSXZLVVSR-MNOVXSKESA-N 272.776 2.406 50 50 CEGA COc1ccc(C[C@@H]2CCN2C(=O)[C@@H](C)Cl)cc1 1875364089 IFCDMFWEUMXGSU-PWSUYJOCSA-N 267.756 2.466 50 50 CEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 130748 SUXVRLZAKOTYFY-XNTDXEJSSA-N 269.260 2.359 50 50 CEGA Cc1ccccc1C(=O)N/N=C1/C(=O)Nc2ccccc21 5730782 OGAKUTJIXWGSRV-UHFFFAOYSA-N 279.299 2.081 50 50 CEGA C[C@@H](Cl)C(=O)NCc1cccc(-c2nccn2C)c1 1875377320 BWYSWTONNAYROI-SNVBAGLBSA-N 277.755 2.331 50 50 CEGA Cc1ccc([C@](C)(O)CN(CC2CC2)C(=O)CCl)o1 1875382741 ONFLTRNADRTWSR-CQSZACIVSA-N 285.771 2.273 50 50 CEGA O=C(N/N=C/c1nc2ccccc2[nH]1)c1ccccc1 263409 JHAXHYMMDDZVBN-MHWRWJLKSA-N 264.288 2.327 50 50 CEGA COC(=O)c1ccc(OCCBr)cc1 2272634 RVBJPYYTGUCVFR-UHFFFAOYSA-N 259.099 2.247 50 50 CEGA in-vitro Cc1ccccc1C(=O)NNC(=O)c1ccccc1C 299208 OFGAOMPNGSOCDO-UHFFFAOYSA-N 268.316 2.378 50 50 CEGA C[C@@H](Br)C(=O)NCc1ccc(F)cc1 32919984 OYWCZIUJNYVIMV-SSDOTTSWSA-N 260.106 2.225 50 50 CEGA Cc1cc(B(O)O)cc(C)c1OCc1ccccc1Cl 169877202 UDKYOMYSPIEDTK-UHFFFAOYSA-N 290.555 2.216 50 50 CEGA in-vitro Cc1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1 18240545 POLGVTIJEFUDSJ-MSNJMMSUSA-N 254.293 2.147 50 50 CEGA CCOc1cccc(/C=N/NC(=O)c2ccco2)c1O 227700 MWQRBYSREXYCIH-OQLLNIDSSA-N 274.276 2.148 50 50 CEGA Cc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)c1 438649 NGBFFJPLWZWDLG-GYKGCMEESA-N 282.343 2.487 50 50 CEGA O=C(CCl)N[C@]1(Cc2cccc(Cl)c2)CCOC1 1875374830 GQNPJAYHPBIPSK-ZDUSSCGKSA-N 288.174 2.397 50 50 CEGA O=C(NNC(=O)C1CCCCC1)C1CCCCC1 571859 UTQCHUZDBKCQRM-UHFFFAOYSA-N 252.358 2.294 50 50 CEGA COC(=O)[C@@H](Br)c1ccccc1C#N 1435928 JRQLPSBWLFECAY-VIFPVBQESA-N 254.083 2.167 50 50 CEGA NNC(=O)c1cc2ccccc2n1Cc1ccccc1 335845 QHUZQAOTDBMLOU-UHFFFAOYSA-N 265.316 2.293 50 50 CEGA C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCl 1319681583 CQISOJDKUXZPSH-HUTHGQBESA-N 273.785 2.182 50 50 CEGA CC1(C)C[C@@H](O)c2cccc(NC(=O)CCl)c2O1 1875375071 PNRMPCSRVMTFNH-SNVBAGLBSA-N 269.728 2.458 50 50 CEGA CCC(CC)C(=O)NNC(=O)COc1ccc(Cl)cc1 2865093 ZNEYHBFDQZRXAX-UHFFFAOYSA-N 298.770 2.302 50 50 CEGA C[C@H](Br)[C@@H](Br)/C=C/C(=O)O 4800343 CPTJDEYJAQERHL-PREYNSRTSA-N 271.936 2.174 50 50 CEGA COc1ccc(/C=N/NC(=O)c2cccs2)cc1O 228118 HPGLLVNNMOYDCM-RIYZIHGNSA-N 276.317 2.226 50 50 CEGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1 5686331 OLNKVBUUDFBZEF-GZTJUZNOSA-N 299.378 2.328 50 50 CEGA CCOc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1 134033 AOWWMEMZYSUJFS-UHFFFAOYSA-N 298.342 2.469 50 50 CEGA CCCCNC(=O)/C(C#N)=C\c1ccc(N)c([N+](=O)[O-])c1 222102319 XEUIPAKDWNBCPO-XFFZJAGNSA-N 288.307 2.000 50 50 CEGA O=C(Cl)N1CCN(C(=O)OCc2ccccc2)CC1 116935243 LIOIUTGIECXTGX-UHFFFAOYSA-N 282.727 2.300 50 50 CEGA CC(=O)C12[C@H]3C=C[C@H]4[C@H]3[C@H]3[C@H]1C=C[C@H]3C42C(=O)CCl 254505519 HNGCLNVZBDVNLW-YMDRMWNWSA-N 274.747 2.234 50 50 CEGA C[C@H](Cl)C(=O)NC[C@H]1CCN(C)c2ccccc21 1875364830 VESYYNGSCBXKIE-WDEREUQCSA-N 266.772 2.354 50 50 CEGA COC(=O)CC[C@H](Cl)B1OC(C)(C)C(C)(C)O1 1857785231 YOCIPVSTYZCYNU-QMMMGPOBSA-N 262.542 2.178 50 50 CEGA CC(C)(C)OC(=O)N1CC(F)(CBr)C1 95743515 XBEPSYXHSSWJFY-UHFFFAOYSA-N 268.126 2.340 50 50 CEGA in-vitro CC(C)c1cnc([C@H](NC(=O)CCl)C2CC2)[nH]1 1875378466 DLPMCYPTXCAUSD-LLVKDONJSA-N 255.749 2.339 50 50 CEGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)s1 8995905 ZLILWIFNMNIQGM-NSHDSACASA-N 272.333 2.306 50 50 CEGA CC(C)(C)OC(=O)NCCCCCCNC(=O)CCl 196777535 DHQOZFQGPYEETI-UHFFFAOYSA-N 292.807 2.427 50 50 CEGA Cc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1 228838 BJJDHZIXHBGTLV-VXLYETTFSA-N 292.342 2.495 50 50 CEGA C[Si](C)(CCCO)O[Si](C)(C)CCCO 169806607 ISPWSRVEMSGMKS-UHFFFAOYSA-N 250.487 2.178 50 50 CEGA C=CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1 4365890 RTQCXKRRKRVMOF-LDADJPATSA-N 281.315 2.410 50 50 CEGA Cc1ccccc1C(=O)NNC(=O)c1cccs1 146466 LKNCQBLWSIPNGA-UHFFFAOYSA-N 260.318 2.131 50 50 CEGA COc1cnc(SSc2ncc(OC)cn2)nc1 5671306 KJUVQOMSLLQVHD-UHFFFAOYSA-N 282.350 2.083 50 50 CEGA O=C(NCCCl)Oc1noc(-c2ccccc2)n1 3091286 QSSFTMAZGZFMIV-UHFFFAOYSA-N 267.672 2.064 50 50 CEGA OB(O)c1ccccc1OCc1ccc(Cl)c(Cl)c1 169746414 OABNQEUHOHNWOO-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro Cc1sc(/C=C(/C#N)C(N)=O)cc1Br 43794 LIWQDXKQWMTXBA-KXFIGUGUSA-N 271.139 2.211 50 50 CEGA C=CCc1cccc(/C=N/NC(=O)c2ccncc2)c1O 254412 JMJFTFCYVLCRFQ-WOJGMQOQSA-N 281.315 2.280 50 50 CEGA CC(C)CNS(=O)(=O)c1ccc(N=C=S)cc1 19737325 XFFZGUCGVLVLAF-UHFFFAOYSA-N 270.379 2.355 50 50 CEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 196743 LTSDHGJQZPQDEP-AWEZNQCLSA-N 282.299 2.207 50 50 CEGA [C-]#[N+][C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 100167374 JNMQDAODIJHZRX-SECBINFHSA-N 255.314 2.348 50 50 CEGA O=C(CCl)Oc1ccc(C(=O)CCl)cc1F 170621746 YWYWERKXMUTFMG-UHFFFAOYSA-N 265.067 2.391 50 50 CEGA COC(=O)c1cccc(CBr)c1OC 39427964 OFNCKBSGHOIZJC-UHFFFAOYSA-N 259.099 2.377 50 50 CEGA C[C@H](Cl)C(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C 1875375482 CHJAQVKWTPLFFD-AXFHLTTASA-N 288.819 2.108 50 50 CEGA C[C@H](Cl)C(=O)NCc1ccccc1-c1cnn(C)c1 1875378005 TVFDUPCMWQVNBH-JTQLQIEISA-N 277.755 2.331 50 50 CEGA C[C@H](Cl)C(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1 1875378095 VPRMOZPEZQPVOD-TVQRCGJNSA-N 295.745 2.392 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1CCc2ccccc2OC1 1875378145 WIUODIBCTGQONM-ONGXEEELSA-N 253.729 2.124 50 50 CEGA O=C1c2ccccc2C(=O)N1OCCCCBr 2566532 HNQARTGCJCNOSX-UHFFFAOYSA-N 298.136 2.389 50 50 CEGA COc1ccc(Br)cc1CNC(=O)CCl 32117985 JFUSAWAMIIAZBJ-UHFFFAOYSA-N 292.560 2.313 50 50 CEGA O=C(Cl)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 261508041 PDYMVXRNQWTJHD-LLVKDONJSA-N 267.712 2.411 50 50 CEGA O=C(C(Cl)Cl)N1CCN(c2ccccc2F)CC1 860156 LBMHWUOKIQNWTJ-UHFFFAOYSA-N 291.153 2.278 50 50 CEGA O=C(CBr)c1cc(F)c([N+](=O)[O-])cc1F 263624688 SQAZLOZBBIHMFV-UHFFFAOYSA-N 280.024 2.451 50 50 CEGA N#Cc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 288563 CFDBMQPLUPQQCO-LICLKQGHSA-N 265.272 2.028 50 50 CEGA C/C(=N\NC(=O)Cc1ccccc1)c1cccnc1 5010296 OQJVMGPYIOGVHF-SFQUDFHCSA-N 253.305 2.165 50 50 CEGA CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@H](F)Cl)C1 2325897879 LKNJEEJSKMLMLK-DCAQKATOSA-N 292.782 2.064 50 50 CEGA CCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 2837450 YTNRXSKHWJUPPW-XYOKQWHBSA-N 253.258 2.218 50 50 CEGA CC(=O)O[C@@H]1C=C[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]1Br 257357779 PVTYTHDWFCMPGF-JKCCIXDMSA-N 269.138 2.300 50 50 CEGA C[C@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 1875376520 ZOMDZDPYWAALDS-DLOVCJGASA-N 281.787 2.284 50 50 CEGA O=C(CN1CCCCCCC1)N/N=C/c1ccsc1 293081 UURBHBOUKJIVJD-XNTDXEJSSA-N 279.409 2.464 50 50 CEGA O=C(N/N=C/c1cc(Cl)ccc1O)c1ccco1 301310 SPVNPNKFIVOQGX-VGOFMYFVSA-N 264.668 2.403 50 50 CEGA Cc1cccc(C)c1N(C(=O)CCl)[C@H]1CCOC1=O 2032897 OWDLFBLNMPCXSD-NSHDSACASA-N 281.739 2.191 50 50 CEGA in-vitro COC(=O)c1ccc(CBr)c(C#N)c1 145014050 JYJHLRUIPXMXCQ-UHFFFAOYSA-N 254.083 2.240 50 50 CEGA NNC(=O)CSCc1ccc(Cl)c(Cl)c1 16990832 AOQQPIJOMBEFAO-UHFFFAOYSA-N 265.165 2.217 50 50 CEGA COC(=O)c1c(N=C=S)sc(C(=O)N(C)C)c1C 17009319 PKVLGNWQCYOOLO-UHFFFAOYSA-N 284.362 2.279 50 50 CEGA COc1cccc(/C=N\NC(=O)Cc2cccs2)c1O 19850004 LLUKDLVUKASECM-DHDCSXOGSA-N 290.344 2.155 50 50 CEGA CC(C)(C)[C@]1(C)O[C@@](O)(C(Cl)Cl)CC1=O 447370 ADFBOHINSCUDJG-NXEZZACHSA-N 255.141 2.273 50 50 CEGA CCOC(=O)[C@@H](Cc1cccc([N+](=O)[O-])c1)SC#N 1737758 CZZJTVHHLYOZCJ-LLVKDONJSA-N 280.305 2.283 50 50 CEGA Cc1occc1C(=O)NNC(=O)/C=C/c1cccs1 511709 MVAPUKKUINLQJV-SNAWJCMRSA-N 276.317 2.124 50 50 CEGA N#CC1=C(N)Oc2nc(=S)[nH]c(O)c2[C@H]1c1ccccc1 3135574 TWELNYOUULSGKS-VIFPVBQESA-N 298.327 2.063 50 50 CEGA COc1cc(NC(=O)OCCCl)ccc1NC(C)=O 40545336 OSGRNIJBPSDPKQ-UHFFFAOYSA-N 286.715 2.441 50 50 CEGA CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](Br)C1 238123451 GFICPINAPXXEHE-RNFRBKRXSA-N 268.126 2.339 50 50 CEGA O=C(CBr)c1cc([N+](=O)[O-])c(F)cc1F 263623452 HPRPHUDMYSPJSG-UHFFFAOYSA-N 280.024 2.451 50 50 CEGA COc1cc(CC2CN(C(=O)[C@H](C)Cl)C2)cc(OC)c1 1875364755 STQXYFSKJBOSDU-JTQLQIEISA-N 297.782 2.332 50 50 CEGA CC1=CS/C(=C(/C#N)C(N)=O)N1c1ccccc1 311827 ZCNRKAMIIRZLDY-QBFSEMIESA-N 257.318 2.322 50 50 CEGA N#C/C(=C\c1c[nH]c2ccccc12)c1[nH]nc(N)c1C#N 12352657 OJMXHLJIMZMFGX-WEVVVXLNSA-N 274.287 2.409 50 50 CEGA CC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)c(F)c1F 169951610 DODXXNHIJRLFAF-UHFFFAOYSA-N 288.175 2.029 50 50 CEGA C[C@@H](Br)Cn1c(N)nc2ccccc21 307564089 BBYVNKMNCMRVNL-SSDOTTSWSA-N 254.131 2.402 50 50 CEGA O=C(OCCI)c1ccccc1 2522852 HNQYNCREQXENCK-UHFFFAOYSA-N 276.073 2.278 50 50 CEGA in-vitro CCOC(=O)[C@H](Br)[C@@H](C)Br 1736008 YPZLAXFGOUPECS-RFZPGFLSSA-N 273.952 2.096 50 50 CEGA CC(C)c1ccc(CN2CCC[C@H](C(=O)NN)C2)cc1 4949103 XUFLNHYJWCEETJ-HNNXBMFYSA-N 275.396 2.012 50 50 CEGA CCc1[nH]nc2c1[C@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 4955971 GHCODECNBOUKAA-BXKDBHETSA-N 270.336 2.498 50 50 CEGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)[C@@H]1C[C@@H]1c1ccccc1 239128760 KTDSHTNRSBGIEE-JKJDWNRSSA-N 298.386 2.374 50 50 CEGA CN(Cc1cc2sccc2n1C)C(=O)CCl 1875374431 QAYZFUBCWCJAIX-UHFFFAOYSA-N 256.758 2.437 50 50 CEGA C=C1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 43815873 IGEBZMMCKFUABB-WJYBAWFFSA-N 280.320 2.315 50 50 CEGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2 5044929 IWIHIAPXZKRZJV-NSHDSACASA-N 295.346 2.320 50 50 CEGA COc1cccc([C@@H]2CC(=O)NC(SC)=C2C#N)c1 177402 LSXPCXXYWVXMCA-NSHDSACASA-N 274.345 2.397 50 50 CEGA COC(=O)c1ccc(C#N)cc1CBr 21981680 QMLVCVLSZNSKJM-UHFFFAOYSA-N 254.083 2.240 50 50 CEGA COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 33297324 LQUSIKRZAVQOJL-YBEGLDIGSA-N 299.286 2.367 50 50 CEGA COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 242871 LIVSXCXPIQHLML-MHWRWJLKSA-N 299.286 2.367 50 50 CEGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 76490 IRKNJDSAWPLYSG-INIZCTEOSA-N 293.326 2.496 50 50 CEGA C/C(=N\NC(=O)CC#N)c1ccc(Br)cc1 4956982 DJQZUNGPJNYIFB-RIYZIHGNSA-N 280.125 2.203 50 50 CEGA O=C(NN=Cc1c[nH]c2ccccc12)[C@@H](O)c1ccccc1 252680248 XZPRGEIKKWWZRI-INIZCTEOSA-N 293.326 2.352 50 50 CEGA Cc1ccccc1CN(CC1(CO)CC1)C(=O)CCl 1875382039 OOVIRJFANRBVHH-UHFFFAOYSA-N 281.783 2.335 50 50 CEGA COc1ccc2c(c1)OCCN(C(=O)[C@@H](C)Cl)C2 1875375404 BJAAGKJCIWWSLV-SECBINFHSA-N 269.728 2.044 50 50 CEGA CCC/C(=N\NC(=O)[C@H]1CCCO1)c1ccccc1 4760455 YJHQBFSUQXBLHC-LBFFYKKLSA-N 260.337 2.486 50 50 CEGA N#CC(C#N)=Cc1cc2n(c1O)-c1ccccc1C2=O 22205336 FKIMPEAVVZDVSN-UHFFFAOYSA-N 261.240 2.158 50 50 CEGA O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(=O)Cl 95682113 QOLALWJWCONGMG-UHFFFAOYSA-N 276.947 2.423 50 50 CEGA CC1(C)OB(c2ccccc2NC(=O)CCl)OC1(C)C 307605299 YDDAYVDRICSOLS-UHFFFAOYSA-N 295.575 2.163 50 50 CEGA C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@H](C)Cl 1875364443 QRUMMQDMMCUOEI-UWVGGRQHSA-N 283.755 2.480 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(O)cc1 288540 XCUXNHDTDOSFAI-NTUHNPAUSA-N 291.288 2.126 50 50 CEGA Cc1nn(-c2ccccc2)nc1CBr 158828 UXRCTMMLJAMVLG-UHFFFAOYSA-N 252.115 2.471 50 50 CEGA Cc1noc(C)c1CO[C@H]1CCN(C(=O)[C@@H](C)Cl)C1 1875378290 YVPNPYWHVBRTCD-KCJUWKMLSA-N 286.759 2.036 50 50 CEGA COc1ccc(/C(C)=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 229529 CVXVTDMNXSYUMZ-LICLKQGHSA-N 298.346 2.450 50 50 CEGA COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 260176 FCHCUNHWCMPCGS-SFQUDFHCSA-N 268.316 2.388 50 50 CEGA biogenic CC(C)(C)OC(=O)NC1(CBr)CC1 85210503 BESSNJVSPVAKNI-UHFFFAOYSA-N 250.136 2.439 50 50 CEGA CCc1ccc(-c2csc(NNC(N)=O)n2)cc1 225745954 UCNCLVKKDROXCC-UHFFFAOYSA-N 262.338 2.368 50 50 CEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(O)c1 301146 WIUGEYRNLQMEIC-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2)c1 3008899 NNJCDIACBBFKAT-GZTJUZNOSA-N 281.315 2.084 50 50 CEGA CC(=O)c1cc2c(cc1NC(=O)[C@@H](C)Cl)OCO2 2380762 CJSBXSOARSEWRK-ZCFIWIBFSA-N 269.684 2.184 50 50 CEGA COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 243805 CPOQKKOCGSGEAY-MHWRWJLKSA-N 299.286 2.367 50 50 CEGA Cc1cccc(C(=O)NNC(=O)C2CCCCC2)c1O 443265 IAQGFAMSVBGDBJ-UHFFFAOYSA-N 276.336 2.042 50 50 CEGA O=C(CNc1ccccc1)N/N=C/c1ccccc1 3157925 LBZAUOFSCKPGFP-GZTJUZNOSA-N 253.305 2.249 50 50 CEGA C=C1CC(C(=O)N/N=C/c2ccc(N(C)C)cc2)C1 4954074 UFHKYQFTFWMPJA-MHWRWJLKSA-N 257.337 2.169 50 50 CEGA NNC(=O)c1cc2cc(Br)ccc2s1 169845 RBVVIWMJORSTLR-UHFFFAOYSA-N 271.139 2.267 50 50 CEGA CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)CCl)C1 1875370005 VZMMITLXLRWEDE-ZJUUUORDSA-N 290.791 2.035 50 50 CEGA O=C(N/N=C/c1ccc(Cl)cc1)c1cccnc1 227662 LMCSFIMMOQFXSU-LZYBPNLTSA-N 259.696 2.499 50 50 CEGA CCOC(=O)C[C@H](NC(=O)CCl)c1ccccc1OC 1616016500 PBCQRPCTURXDFO-NSHDSACASA-N 299.754 2.045 50 50 CEGA O=C(CCl)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 1118979399 UWOBRGMLJRYRMQ-LDYMZIIASA-N 293.672 2.276 50 50 CEGA O=C(CN1CCCCCC1)N/N=C/c1ccccc1 4990911 OSHMWAKPJXCZRH-FOWTUZBSSA-N 259.353 2.013 50 50 CEGA COc1ccc(NC(=O)CBr)c(OC)c1 6793408 QHEGXQQLPNQOBF-UHFFFAOYSA-N 274.114 2.037 50 50 CEGA O=C(CBr)Nc1cc(F)cc(F)c1 59818901 YMXZOQRAUCACRG-UHFFFAOYSA-N 250.042 2.298 50 50 CEGA CCOC(=O)NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 157886452 FJQNMSHNLCTMGI-QJPTWQEYSA-N 268.357 2.370 50 50 CEGA CN(NC(=O)C1=NO[C@H](c2ccccc2)C1)c1ccccn1 1629711637 BCOVPBPKCJABQO-AWEZNQCLSA-N 296.330 2.067 50 50 CEGA CC(C)(C)[C@@]1(C)O[C@@](O)(C(Cl)Cl)CC1=O 447369 ADFBOHINSCUDJG-VHSXEESVSA-N 255.141 2.273 50 50 CEGA O=C(c1ccccc1)N1CCCC[C@H](Cl)C1=O 1465861 FCTCNPMPXQXJOV-NSHDSACASA-N 251.713 2.447 50 50 CEGA Cc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1 55624 OHEDEWBTBALOMB-LICLKQGHSA-N 284.363 2.418 50 50 CEGA COc1ccc(C(=O)NC2=C(C#N)CCC2)cc1OC 1058767 KKQWJXBKJOKMGC-UHFFFAOYSA-N 272.304 2.395 50 50 CEGA CC(=O)c1ccccc1NC(=O)CBr 5379315 YKZNJJGKMUUEMS-UHFFFAOYSA-N 256.099 2.223 50 50 CEGA Cc1c(NC(=O)[C@@H](C)Cl)c(=O)n(-c2ccccc2)n1C 3270807 MORLKTUKTJISOL-SECBINFHSA-N 293.754 2.050 50 50 CEGA C/C(Nc1ccc(Br)cc1)=C(/C#N)C(N)=O 4088221 SAIJMNWJQVBOJY-JXMROGBWSA-N 280.125 2.144 50 50 CEGA COc1ccc(NC(=O)[C@@H](C)Br)c(OC)c1 41181211 KVXAXEZTVSKABG-SSDOTTSWSA-N 288.141 2.426 50 50 CEGA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)[C@H](C)Cl)C1 1875378289 YVPNPYWHVBRTCD-GZMMTYOYSA-N 286.759 2.036 50 50 CEGA O=C(CCl)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 1319683088 VCGSGLCVPFNMPC-CHWSQXEVSA-N 285.746 2.479 50 50 CEGA CCOC(=O)/C(C#N)=C/c1ccc(NC(C)=O)cc1 1688934 CPLWLQOLZIZSLD-XYOKQWHBSA-N 258.277 2.115 50 50 CEGA O=c1cc(CCl)nc2ccc(Br)cn12 265958 HKULCEKJGGNDSO-UHFFFAOYSA-N 273.517 2.196 50 50 CEGA O=C(Cl)[C@H]1CCN(C(=O)OCc2ccccc2)C1 261508042 PDYMVXRNQWTJHD-NSHDSACASA-N 267.712 2.411 50 50 CEGA Cc1c(C(=O)N/N=C/c2cccnc2)sc(=S)n1C 441569 AKRUXZJUNOJHER-VGOFMYFVSA-N 292.389 2.283 50 50 CEGA CC(C)(C)[Si](C)(C)Oc1cc(B(O)O)cc(F)c1F 169988614 OFDBQWJPHJPFJH-UHFFFAOYSA-N 288.175 2.029 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 1875364227 JXQOVUAXKDYONW-SDDRHHMPSA-N 266.772 2.397 50 50 CEGA CCOc1ccc(/C=N/NC(=O)c2ccccn2)cc1 227891 AAPQJNGGDQDWRX-GZTJUZNOSA-N 269.304 2.244 50 50 CEGA COc1ccc(C(=O)N/N=C/c2ccccc2)cc1OC 1457927 KQHCNRYPPUALPT-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA COC(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1 609867 BBHJUHQCGGJMFN-UHFFFAOYSA-N 293.270 2.263 50 50 CEGA C[C@H](Br)C(=O)N(C)Cc1ccccc1 6020034 XVTHMIPQYXGCRN-VIFPVBQESA-N 256.143 2.428 50 50 CEGA C[C@]1(C(=O)NNC(=O)c2ccccc2)C[C@H]2C=C[C@H]1C2 100405581 BTLDZGHWLJKVQS-RBOXIYTFSA-N 270.332 2.050 50 50 CEGA COc1cc(F)cc(C[C@@H](C)NC(=O)CCl)c1 1327857629 KAFKRUWVMUAQHP-MRVPVSSYSA-N 259.708 2.120 50 50 CEGA CC1=C(C#N)[C@](NC(=O)c2ccco2)(C(F)(F)F)C(O)=N1 4127145 JORVYLXSGQOIEP-LLVKDONJSA-N 299.208 2.078 50 50 CEGA CC(C)CC(=O)NNC(=O)c1ccc(Cl)cc1 4761410 HSBKXBAUKZTWQT-UHFFFAOYSA-N 254.717 2.147 50 50 CEGA CC[C@H](Br)C(=O)NCc1cccc(OC)c1 32920007 GCSGZSBKJAWSAW-NSHDSACASA-N 286.169 2.485 50 50 CEGA C[C@@H](CCl)OC(=O)Cn1c(=O)sc2ccccc21 3106392 PIESLUXRUVSAHB-QMMMGPOBSA-N 285.752 2.234 50 50 CEGA C[C@H](Cl)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 1875366399 GYHYGHOTNNQONR-UJKKYXBJSA-N 253.704 2.207 50 50 CEGA CC(C)c1ccc2c(c1)[C@H](NC(=O)CCl)C(=O)N2 1875377955 SAYKDCWFOQYWGZ-LBPRGKRZSA-N 266.728 2.158 50 50 CEGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 5044927 SIJUSHSCKICNAR-AWEZNQCLSA-N 296.330 2.335 50 50 CEGA CC(/C=C/c1ccco1)=N\NC(=O)c1cc(C)n[nH]1 18241811 MMAYLHSBGCGUMD-SFCPEOOZSA-N 258.281 2.130 50 50 CEGA O=C(N/N=C\c1ccccn1)c1c[nH]c2ccccc12 4997411 QOKXNHAWFNPBCE-NVMNQCDNSA-N 264.288 2.327 50 50 CEGA CSC1=C(C#N)[C@@H](c2cccc(O)c2)CC(=O)N1 8972899 RMLDESOPQZKJDJ-SNVBAGLBSA-N 260.318 2.094 50 50 CEGA CC1(C)[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@@H]1C(=O)OC(=O)[C@H]12 101003769 HABMDFNVGDCWLC-FOCGDTLZSA-N 258.317 2.315 50 50 CEGA O=C(N/N=C/c1ccccc1O)C1[C@H]2CCCC[C@H]12 100360623 RWHIYSSPLLJQRF-STQKSKDHSA-N 258.321 2.279 50 50 CEGA C[C@@]12CCCC[C@@]13NC(Cl)=C(C#N)[C@@]2(C#N)C(=N)O3 226547934 HBGSCYFFSHQMSJ-AVGNSLFASA-N 276.727 2.358 50 50 CEGA C[C@@H](Cl)C(=O)NCCc1ccc(-n2cccn2)cc1 1875364748 SHOUVNQDXYNQFX-LLVKDONJSA-N 277.755 2.158 50 50 CEGA OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1 169744804 JWJQEUDGBZMPAX-UHFFFAOYSA-N 287.127 2.464 50 50 CEGA in-vitro COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1O 5135301 ZVDHWTAEDZQWPB-OQLLNIDSSA-N 290.344 2.155 50 50 CEGA CSC1=C(C#N)[C@@](C)(c2ccccc2)[C@@H](C#N)C(=O)N1 208397 JLKKGHXMXMBBIT-NHYWBVRUSA-N 283.356 2.312 50 50 CEGA O=C1OCCN1P(=O)(c1ccccc1)c1ccccc1 448339 XHKYRHUCVMNTFJ-UHFFFAOYSA-N 287.255 2.368 50 50 CEGA COc1ccccc1N1CCN(CCCCl)CC1 2556449 OIZBMQFOSPOOIS-UHFFFAOYSA-N 268.788 2.446 50 50 CEGA Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccccn2)c1 117902 XXPBOPJXPWZIMZ-FHXOWUIVSA-N 283.331 2.308 50 50 CEGA N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(N)=O 117214 IATDFYNGRLLOOX-VQHVLOKHSA-N 283.243 2.247 50 50 CEGA Cc1ccc(/C=N/NC(=O)Cc2cccn2C)s1 1798767 QRKXAWCVAJDJTP-NTEUORMPSA-N 261.350 2.088 50 50 CEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccs1 48724 NYBMJRNRDGDXAX-GFCCVEGCSA-N 290.344 2.393 50 50 CEGA CCCCCC(=O)N/N=C/c1ccc(O)c(OC)c1 2676191 WSDHBJFDEGJXAI-XNTDXEJSSA-N 264.325 2.431 50 50 CEGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)o1 9110082 FCUBLRJPNCXNJJ-OVCLIPMQSA-N 284.275 2.335 50 50 CEGA CN(C)c1cccc(C(=O)N/N=C/c2ccoc2)c1 372841 NZSLPEVIKMZKBO-OQLLNIDSSA-N 257.293 2.110 50 50 CEGA Cn1ccnc1C[C@@H](NC(=O)CCl)c1ccccc1 1875364239 LJVSLBVSNDOEFU-GFCCVEGCSA-N 277.755 2.059 50 50 CEGA N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1nccs1 16652 GHCYEGKEUAECQT-WEVVVXLNSA-N 287.300 2.100 50 50 CEGA CO[C@@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245256960 UPQWOGYWJGJJFP-KCDKBNATSA-N 297.626 2.464 50 50 CEGA OB(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 169844721 VXRWBTTXNCRCPS-UHFFFAOYSA-N 266.027 2.052 50 50 CEGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(O)cc2)[nH]n1 5685926 LHTCSSQLUOZTSY-CXUHLZMHSA-N 286.335 2.177 50 50 CEGA CCn1c(NNC(=O)c2cccnc2)nc2ccccc21 1057416 FQRNWFQLXQMLHK-UHFFFAOYSA-N 281.319 2.208 50 50 CEGA COc1cccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)c1 9271285 YOFWRWXTIJMCQB-CXUHLZMHSA-N 286.335 2.306 50 50 CEGA OB(O)c1ccc2cc(OCc3ccccc3)ccc2c1 169743806 ZVHAZMUBLCEMGG-UHFFFAOYSA-N 278.116 2.099 50 50 CEGA in-vitro CCC/C(=N\NC(=O)[C@@H]1CCCO1)c1ccccc1 4760454 YJHQBFSUQXBLHC-BXWAGETQSA-N 260.337 2.486 50 50 CEGA C[C@@H]1CCc2ccccc2N1C(=O)CCNC(=O)CCl 1875374967 MBIYLXLVNXTLFM-LLVKDONJSA-N 294.782 2.099 50 50 CEGA C[C@H](Cl)C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 1875377611 ISLPUFFYLKSDAW-CMPLNLGQSA-N 277.755 2.437 50 50 CEGA C[C@@H](COCc1ccccc1)NC(=O)[C@H](C)Cl 307411938 HTTSVYZTEWKOQX-QWRGUYRKSA-N 255.745 2.335 50 50 CEGA CCOc1ccc(/C=N/NC(=O)c2snnc2C)cc1 5673371 HFPVPSFQIIOPGX-RIYZIHGNSA-N 290.348 2.009 50 50 CEGA N#C/C(=C\c1cccc(Br)c1Cl)C(N)=O 952876886 ZQSDDAWTRPFBLW-QPJJXVBHSA-N 285.528 2.495 50 50 CEGA C[C@@H](Cl)C(=O)NC[C@H]1CCN(C)c2ccccc21 1875364827 VESYYNGSCBXKIE-GHMZBOCLSA-N 266.772 2.354 50 50 CEGA O=C(N/N=C/CCc1ccccc1)c1cccnc1 4406071 AREQQQXTLHSTBW-GZTJUZNOSA-N 253.305 2.430 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C 1875364404 MCPZWQNHDKOLBM-OBJOEFQTSA-N 295.814 2.036 50 50 CEGA C[C@@H](Br)C(=O)c1ccc(OCC(=O)O)cc1 2575693 SQLRCYTWVMDUBW-SSDOTTSWSA-N 287.109 2.116 50 50 CEGA Cc1ccc(OCc2ccc(C(=O)NN)cc2)c(C)c1 2568632 MXNUEXIFUQTSKF-UHFFFAOYSA-N 270.332 2.486 50 50 CEGA O=C(CCCl)Nc1ccc(N2CCOCC2)cc1 3116699 MYQDHBJKARHZSN-UHFFFAOYSA-N 268.744 2.091 50 50 CEGA C[C@H](Cl)C(=O)Nc1ccc([C@H]2CCC(=O)N2)cc1 1875368086 PBAKGJDSUIEARP-GZMMTYOYSA-N 266.728 2.204 50 50 CEGA C=C(C)C(=O)Nc1ccc(S(=O)(=O)SC)cc1 3122253 FLAUUYKYQCTCKM-UHFFFAOYSA-N 271.363 2.253 50 50 CEGA CCOC(=O)C[C@@H](NC(=O)CCl)c1ccccc1C 1616016453 NETUNUWSJQWTTN-GFCCVEGCSA-N 283.755 2.344 50 50 CEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CCCC3 254393105 PQOFCACDJUIWCA-RJSFJBSNSA-N 256.301 2.235 50 50 CEGA Cc1ccnc(N2CCSSCC2)c1[N+](=O)[O-] 952845322 SLMGXPLDPIPKHH-UHFFFAOYSA-N 271.367 2.500 50 50 CEGA N#C/C(=C\c1cccc(Cl)c1Br)C(N)=O 952876525 UZNRSTSHUCXSBE-QPJJXVBHSA-N 285.528 2.495 50 50 CEGA COc1cc(C(=O)NN=C2CCCC2)cc(OC)c1OC 433821 WVCDSKJHSGFRTQ-UHFFFAOYSA-N 292.335 2.372 50 50 CEGA C=CCOc1ccccc1/C=N/NC(=O)c1ccncc1 4372602 FEYXJSPQIGZZMK-LDADJPATSA-N 281.315 2.410 50 50 CEGA C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 242425502 BLUAFEHZUWYNDE-RGGOSHLVSA-N 282.336 2.395 50 50 CEGA biogenic Cc1cc2c(c(=O)o1)[C@H](c1ccccc1C)C(C#N)=C(N)O2 43079 BTVXJAOGGSHFBN-CQSZACIVSA-N 294.310 2.475 50 50 CEGA O=C(N/N=C\c1ccc2c(c1)CCC2)[C@@H](O)c1ccccc1 33402005 OMWPCNMEBNUEHW-LSPINASFSA-N 294.354 2.359 50 50 CEGA COC(=O)c1cc(OC)c(OCCCCl)cc1N 95828749 MWAMTEYWDWYKQO-UHFFFAOYSA-N 273.716 2.072 50 50 CEGA CO[Si](OC)(c1ccc(C)cc1)c1ccc(C)cc1 196025142 SZIZIGBTHTUEBU-UHFFFAOYSA-N 272.420 2.153 50 50 CEGA in-vitro O=C(Cc1cc2ccccc2[nH]1)N/N=C/c1ccncc1 431811 XNWKRXSLZLXYER-WOJGMQOQSA-N 278.315 2.256 50 50 CEGA C/C(=N\NC(=O)Cc1cccn1C)c1ccc(F)cc1 12362384 ZQIOSLRSTGVLQY-GZTJUZNOSA-N 273.311 2.247 50 50 CEGA C[C@H]1C(=O)[C@H]2CC(C)(C)[C@H]1C[C@@H]2OC(=O)CCl 104305553 SMVCNZONBLVLDX-KATARQTJSA-N 258.745 2.408 50 50 CEGA O=C(N/N=C\c1ccc2c(c1)CCC2)[C@H](O)c1ccccc1 33402003 OMWPCNMEBNUEHW-UEXNTNOUSA-N 294.354 2.359 50 50 CEGA CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Cl)C1 1875363599 LODCCKDFQRQNKW-TUAOUCFPSA-N 288.819 2.157 50 50 CEGA C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 15449189 BJDCWCLMFKKGEE-KDTBHNEXSA-N 284.352 2.187 50 50 CEGA world O=C(CN1CCCCCC1)N/N=C/c1ccc(F)c(F)c1 4990916 NWVSFXQGVORTLQ-VCHYOVAHSA-N 295.333 2.291 50 50 CEGA Cc1cc2c(c(=O)o1)[C@@H](c1cccs1)C(C#N)=C(N)O2 196806 PJDTZFALUHHEAN-LLVKDONJSA-N 286.312 2.228 50 50 CEGA CC(C)(c1ccccc1)c1ccc(OCC(=O)NN)cc1 2597273 CDPDTMZORKWRDY-UHFFFAOYSA-N 284.359 2.381 50 50 CEGA CCc1cc(C(=O)N/N=C/c2ccncc2)cs1 2755037 HQVLNGSKEUUVPX-OVCLIPMQSA-N 259.334 2.469 50 50 CEGA N#CC1=CCC[C@@H](OC(=O)CN2CCCCCCC2=O)C1 888099550 PYRXLCGBNDXJCY-CQSZACIVSA-N 290.363 2.325 50 50 CEGA O=C(O)C[C@@H](Br)C(=O)c1ccccc1 2036158 VPUHMOLSUUYGEJ-MRVPVSSYSA-N 257.083 2.108 50 50 CEGA CS(=O)(=O)c1ccc(CCBr)cc1 82571312 QXLYKMSRNVSHHJ-UHFFFAOYSA-N 263.156 2.028 50 50 CEGA CN(C(=O)CCl)[C@@H]1CCCN(c2ccccc2)C1 1319786087 XXILGFLBXWFAED-CYBMUJFWSA-N 266.772 2.353 50 50 CEGA Cc1ccc(C(=O)CBr)cc1[N+](=O)[O-] 3885324 DBMCVOBHUPAOMT-UHFFFAOYSA-N 258.071 2.481 50 50 CEGA in-vitro CN(C)/C=C(\C#N)n1cc(C(F)(F)F)cc(Cl)c1=O 261494770 FLMHMOCVENJSOX-SOFGYWHQSA-N 291.660 2.404 50 50 CEGA C[C@H](Cl)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1875380459 PKPYTIBFZRJPTO-VIFPVBQESA-N 288.738 2.192 50 50 CEGA O=C(CCl)N[C@@H](c1nccs1)C(F)(F)F 1327857959 QGJVESJEOUZPHE-YFKPBYRVSA-N 258.652 2.102 50 50 CEGA CCCc1n[nH]c2c1[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 4599465 VSLVXHGVRYHBFZ-CYBMUJFWSA-N 296.330 2.286 50 50 CEGA biogenic,in-vitro O=C(NNC(=O)[C@@H]1CC=CCC1)c1ccccc1Cl 273143 HGDYCPNEIHSVNR-SNVBAGLBSA-N 278.739 2.457 50 50 CEGA COc1cc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)ccc1O 100310994 JDQROOBALINTLI-JIETVRIZSA-N 288.347 2.287 50 50 CEGA Nc1ncccc1SSc1cccnc1N 34484272 BKJJNHRPIQKNTK-UHFFFAOYSA-N 250.352 2.440 50 50 CEGA in-vitro C[C@@H](Cl)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 1875366335 BNPNLIUKKPFQET-MRVPVSSYSA-N 257.765 2.293 50 50 CEGA COc1ccccc1/C=C/C=N/NC(=O)Cc1cccn1C 2532513 XZICTYYMFRPCHK-OKSYWBHRSA-N 297.358 2.392 50 50 CEGA OB(O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1 196955176 BHAAKODXXMTNDE-UHFFFAOYSA-N 266.027 2.052 50 50 CEGA CCN(Cc1cccc2c1OCO2)C(=O)[C@@H](C)Cl 1875364547 NVAPEYKRTAXCEX-SECBINFHSA-N 269.728 2.391 50 50 CEGA C[C@@H](Cl)C(=O)Nc1ccc2sc(=O)n(C)c2c1 1875366952 CRHAIXIQTPTPPR-ZCFIWIBFSA-N 270.741 2.166 50 50 CEGA OB(O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 169877156 HGXKMYLFVPMNFR-UHFFFAOYSA-N 296.946 2.252 50 50 CEGA in-vitro O=C(N/N=C/c1c(O)ccc2ccccc12)c1cnccn1 308326 MXRKRHOWBSDFDS-DJKKODMXSA-N 292.298 2.099 50 50 CEGA COc1cc(C)ccc1CN(C[C@@H](C)CO)C(=O)CCl 1875382929 XUNLWKRFZLDCNV-GFCCVEGCSA-N 299.798 2.199 50 50 CEGA C[C@@H](Cl)C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 1875377614 ISLPUFFYLKSDAW-ZYHUDNBSSA-N 277.755 2.437 50 50 CEGA O=C(N/N=C/c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 242686 UOPTUQNQIMJNGQ-OQLLNIDSSA-N 285.259 2.064 50 50 CEGA COc1cccc(/C=N/NC(=O)Cc2ccccc2)c1 59650 SZUPGLNVXGBDTK-SFQUDFHCSA-N 268.316 2.388 50 50 CEGA biogenic CC[C@H](Sc1ccccc1)C(=O)NN(C)CCOC 288482062 RXMVHHINZUQQCP-ZDUSSCGKSA-N 282.409 2.167 50 50 CEGA C/C(=N\NC(=O)c1cccc(Cl)c1)c1cncnc1 1875259092 NYQTUJLGYMQVTR-RQZCQDPDSA-N 274.711 2.284 50 50 CEGA CC(C)n1cc2c(n1)[C@@H](NC(=O)CCl)CCC2 1875367672 CRPQQTGEQMXAMW-JTQLQIEISA-N 255.749 2.196 50 50 CEGA Cc1occc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 249438 YAAUJXYWRCSAAB-RIYZIHGNSA-N 273.248 2.260 50 50 CEGA Cc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1)C(=O)N2C 5730657 KPMFWRNKIGRAGM-SDXDJHTJSA-N 293.326 2.106 50 50 CEGA O=C(Cc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 301041 RMXBDYXPOVVMRH-LFIBNONCSA-N 283.287 2.288 50 50 CEGA O=C(OCCCl)OCn1c(=O)sc2ccccc21 5740036 FVSCWTORERDIQT-UHFFFAOYSA-N 287.724 2.413 50 50 CEGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 293200 ORWWIXVKKFLSCZ-MRXNPFEDSA-N 293.326 2.496 50 50 CEGA CC(=O)N1CCc2cccc(NC(=O)[C@H](C)Cl)c21 1875364150 FRJRAVCBZIRUEK-QMMMGPOBSA-N 266.728 2.161 50 50 CEGA CC(C)n1ncc2c1C[C@H](NC(=O)[C@H](C)Cl)CC2 1875364061 BHQFHHYHDPQNBX-GXSJLCMTSA-N 269.776 2.065 50 50 CEGA Cc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 222675 WTHMGDOMJYNSBG-RIYZIHGNSA-N 273.248 2.260 50 50 CEGA CCCNC(=O)N/N=C(\C)c1cc(Cl)ccc1O 222046820 XXQBQEXZKQNNIT-OVCLIPMQSA-N 269.732 2.479 50 50 CEGA C[C@@H](Cl)C(=O)NCCCN(C)c1ccccc1F 1875363879 CLSBYISARJAUEP-SNVBAGLBSA-N 272.751 2.396 50 50 CEGA CC(C)C[C@H](CO)N(Cc1ccoc1)C(=O)CCl 1875382420 AIXUOKSYOIQTKW-GFCCVEGCSA-N 273.760 2.254 50 50 CEGA N#CC(C#N)=C(N)COc1cccc(C(F)(F)F)c1 169863 XJOVVNQAVNQVMG-UHFFFAOYSA-N 267.210 2.344 50 50 CEGA NNC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 400400 SOZQVWXAHJWDRW-PCKAHOCUSA-N 264.328 2.274 50 50 CEGA O=C(O)CC/C(=N\NC(=O)c1cccnc1)c1ccccc1 4957902 ZSSUMXZVYKBDAP-NBVRZTHBSA-N 297.314 2.081 50 50 CEGA C[C@@H](Cl)C(=O)N[C@H]1CCc2ccccc2OC1 1875378143 WIUODIBCTGQONM-KOLCDFICSA-N 253.729 2.124 50 50 CEGA O=C(CCl)NC1(C(F)(F)F)Oc2ccccc2O1 45401 LIFYTDMGGSKWLR-UHFFFAOYSA-N 281.617 2.029 50 50 CEGA C[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 242425503 BLUAFEHZUWYNDE-SSCDBTCDSA-N 282.336 2.395 50 50 CEGA biogenic CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 5044928 SIJUSHSCKICNAR-CQSZACIVSA-N 296.330 2.335 50 50 CEGA CCC(CC)=NNC(=O)C(=O)N[C@@H](C)c1ccccc1 5008760 HLWUOOFGNSZIOK-NSHDSACASA-N 275.352 2.156 50 50 CEGA O=C(NNC(=O)[C@H]1CC=CCC1)c1ccccc1Cl 273145 HGDYCPNEIHSVNR-JTQLQIEISA-N 278.739 2.457 50 50 CEGA CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCl 218754756 MEVWIVBKIHNFRW-GFCCVEGCSA-N 297.782 2.294 50 50 CEGA C[C@@H](Cl)C(=O)N1CCC2(C1)Oc1ccccc1O2 1875377971 SJKGBEXQQBGGCS-SECBINFHSA-N 267.712 2.014 50 50 CEGA COc1c(C(=O)CBr)cc(F)cc1[N+](=O)[O-] 2576076 JMEIBLPWJJNUJW-UHFFFAOYSA-N 292.060 2.320 50 50 CEGA C[C@@H]1C(=O)[C@@]2(CO)O[C@H]1C[C@H]2O[Si](C)(C)C(C)(C)C 257356172 GMDNMPHDQFXAOJ-DYNIEEOBSA-N 286.444 2.116 50 50 CEGA C[C@H](Cl)C(=O)N1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 1875368109 QGCCURBYDURKBP-TUAOUCFPSA-N 287.787 2.148 50 50 CEGA O=C(N/N=C/c1ccccc1O)C1[C@@H]2CCCC[C@@H]12 100360631 RWHIYSSPLLJQRF-RTJZQMKSSA-N 258.321 2.279 50 50 CEGA Cc1cccc(C(=O)N/N=C/c2ccc(O)cc2O)c1 175134 NSVBHAOOPMPVFK-CXUHLZMHSA-N 270.288 2.170 50 50 CEGA N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccco1 37382 XDMWEFDNAJRXDQ-WUXMJOGZSA-N 296.282 2.232 50 50 CEGA CC(=O)Nc1c(C)cc(C)c(CNC(=O)CCl)c1C 12445152 LMYMDAQVTBUUSW-UHFFFAOYSA-N 282.771 2.425 50 50 CEGA CNc1ccccc1C(=O)N/N=C/c1ccc(O)c(OC)c1 1741151 OBXOTNWRKBKLQT-VCHYOVAHSA-N 299.330 2.206 50 50 CEGA N#CC1=C(NC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 41351 KFYQKCFPPUEJTN-UHFFFAOYSA-N 271.276 2.215 50 50 CEGA C[C@H](Cl)C(=O)N1CCCC[C@@H]1c1cnn(C)c1 1875377675 KPSHTEPRJTWRRR-GXSJLCMTSA-N 255.749 2.101 50 50 CEGA C[C@H](Cl)C(=O)N1CCN(c2ccccc2F)CC1 13609462 UFCHAPFJXSOTSA-JTQLQIEISA-N 270.735 2.102 50 50 CEGA C[C@H](Cl)C(=O)NCc1cccc(-c2nccn2C)c1 1875377319 BWYSWTONNAYROI-JTQLQIEISA-N 277.755 2.331 50 50 CEGA O=C(N/N=C/c1ccco1)C(=O)Nc1ccc(Cl)cc1 4259046 USAKDBZMEVYXSO-OVCLIPMQSA-N 291.694 2.022 50 50 CEGA O=C(O)c1ccccc1C(=O)NNc1cccc(Cl)n1 2569415 MYCKIQXSCRQFEJ-UHFFFAOYSA-N 291.694 2.190 50 50 CEGA O=C(N/N=C/c1cccc(O)c1)c1ccc2[nH]cnc2c1 523466 HFTWXADXLKLQSY-QGMBQPNBSA-N 280.287 2.032 50 50 CEGA COc1c(CCl)c2c(c(OC)c1OC)COC2=O 1570480 UNZNABLCQIHCLL-UHFFFAOYSA-N 272.684 2.122 50 50 CEGA Cc1ccccc1OC(=O)NC(=O)CCBr 22341335 ONLCXUHWZFTROO-UHFFFAOYSA-N 286.125 2.395 50 50 CEGA CCn1cc(/C=N/NC(=O)c2ccccc2Cl)cn1 355555 CMTHQJNBLXFBSR-VIZOYTHASA-N 276.727 2.320 50 50 CEGA CCC(CC)=NNC(=O)C(=O)Nc1ccc(F)cc1 5008662 LVCZGSAKPVSNPV-UHFFFAOYSA-N 265.288 2.056 50 50 CEGA O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 4117779 FRQVLZDRGSCQCY-UHFFFAOYSA-N 275.239 2.491 50 50 CEGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(O)cc1 1261334 LNHFWRGKEZOISQ-MHWRWJLKSA-N 286.335 2.393 50 50 CEGA C[C@@H](Cl)C(=O)N1CCN(c2ccccc2F)CC1 13609458 UFCHAPFJXSOTSA-SNVBAGLBSA-N 270.735 2.102 50 50 CEGA COc1ccc(C(=O)CBr)cc1OC 1703889 NUAIPKMBWNVQIM-UHFFFAOYSA-N 259.099 2.281 50 50 CEGA in-vitro CCCCCC(=O)NNC(=O)c1ccc(F)cc1 2755884 DOWUQTDIWHAHIO-UHFFFAOYSA-N 252.289 2.167 50 50 CEGA CN1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1 55072180 PEUXADFGKPKQIX-UHFFFAOYSA-N 297.358 2.357 50 50 CEGA CC1(C)Cc2cccc(OCCNC(=O)CCl)c2O1 1875362963 QGVVAXYMAOCHQE-UHFFFAOYSA-N 283.755 2.134 50 50 CEGA CCCN(C[C@@H]1Cc2ccccc2O1)C(=O)CCl 1875379773 WKKDOKKUTNZNSW-LBPRGKRZSA-N 267.756 2.468 50 50 CEGA C[C@@H](Cl)C(=O)N1Cc2ccccc2[C@@H](n2cccn2)C1 1875364431 QRDHSZCVIVFNFY-RISCZKNCSA-N 289.766 2.442 50 50 CEGA COC(=O)c1cc([N+](=O)[O-])ccc1CBr 2599120 OAEABYNRBPCSQB-UHFFFAOYSA-N 274.070 2.276 50 50 CEGA in-vitro O=C(CBr)NCc1ccccc1Cl 35605230 KOQPXSIDLBYMJC-UHFFFAOYSA-N 262.534 2.351 50 50 CEGA COc1cc(C)nc(NNC(=O)[C@H]2C[C@@H]2c2ccccc2)n1 839695444 GMRMNWOXSWREKI-OLZOCXBDSA-N 298.346 2.040 50 50 CEGA O=C([C@@H](F)Cl)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 2325898274 YRZIMOMJZKQBQV-OUAUKWLOSA-N 275.751 2.329 50 50 CEGA O=C=Nc1ccc(I)c(F)c1 216650028 SFIRVVHYIKLYLK-UHFFFAOYSA-N 263.009 2.398 50 50 CEGA CC(C)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1 35653752 FEPXZAYLJDRLGF-VIFPVBQESA-N 256.733 2.137 50 50 CEGA O=C(CCCCCl)Nc1ncc(C(=O)O)s1 725256537 STMOVIQBZICGJH-UHFFFAOYSA-N 262.718 2.189 50 50 CEGA CC(C)(C)[Si](C)(C)OCCN1CCS(=O)CC1 219822628 BEMXLDWFHZFZQM-UHFFFAOYSA-N 277.506 2.073 50 50 CEGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccccc2)n[nH]1 1252571 VURBXHYPDBKJRE-WOJGMQOQSA-N 291.314 2.236 50 50 CEGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccco2)n[nH]1 5402870 YDJLRSNRMRHZSD-CXUHLZMHSA-N 296.286 2.139 50 50 CEGA COc1cccc(/C=N/NC(=O)c2ccco2)c1OC 50287 NHEXRCBEXLTPBA-OQLLNIDSSA-N 274.276 2.061 50 50 CEGA O=C(NNC(=O)c1cccs1)c1cccc(Cl)c1 299699 TUCZFLVWWOWLKS-UHFFFAOYSA-N 280.736 2.476 50 50 CEGA COc1cccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)c1O 100712538 NUZMHIXADUJFSC-FAJFRMSXSA-N 288.347 2.287 50 50 CEGA Cc1ccccc1CNC(=O)[C@H](C)Br 41699392 KZKOIUTVQWNVTM-VIFPVBQESA-N 256.143 2.395 50 50 CEGA C[C@H](NC(=O)[C@@H](C)Cl)c1nccc(C(F)F)n1 1875376153 NKOGHBXGTSDEGB-RITPCOANSA-N 263.675 2.219 50 50 CEGA CC(C)n1ncc2c1C[C@@H](NC(=O)[C@H](C)Cl)CC2 1875364068 BHQFHHYHDPQNBX-ONGXEEELSA-N 269.776 2.065 50 50 CEGA C[C@H](Cl)C(=O)Nc1cc2c(cnn2C)nc1C(F)F 1875376381 VDDXSHYETSVMKF-YFKPBYRVSA-N 288.685 2.472 50 50 CEGA CC(C)(C)[Si](C)(C)Oc1cc(B(O)O)ccc1Cl 169955555 IQHGPJCKOCCBEG-UHFFFAOYSA-N 286.640 2.404 50 50 CEGA CCc1[nH]nc2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 4955963 GHCODECNBOUKAA-JOYOIKCWSA-N 270.336 2.498 50 50 CEGA C/C(=N\NC(=O)c1[nH]nc2c1CCC2)c1cccs1 8564995 CEFALOFHYKVXTJ-RIYZIHGNSA-N 274.349 2.114 50 50 CEGA C[C@@H](Br)C(=O)Nc1ccc2c(c1)OCCO2 32919872 PXEQJYTWAJEKNX-SSDOTTSWSA-N 286.125 2.180 50 50 CEGA CC(C)C[C@@H](CO)N(Cc1ccoc1)C(=O)CCl 1875382421 AIXUOKSYOIQTKW-LBPRGKRZSA-N 273.760 2.254 50 50 CEGA Cc1cc(CO[C@H]2CC[C@H](NC(=O)CCl)CC2)on1 1875390098 XSIXHCDSEMCHBU-XYPYZODXSA-N 286.759 2.166 50 50 CEGA CC(C)n1nnnc1-c1ccc(NC(=O)CCl)cc1F 1875375162 SPWBLZVIORAUEA-UHFFFAOYSA-N 297.721 2.237 50 50 CEGA O=C(NNC(=O)NC1CCCCC1)NC1CCCCC1 614557 FTECOSHEHYGVEN-UHFFFAOYSA-N 282.388 2.165 50 50 CEGA BrC[C@@H]1CN(Cc2ccccc2)CCO1 19851653 HYDNAFJDFGPLGH-GFCCVEGCSA-N 270.170 2.282 50 50 CEGA CCOc1ccccc1CNC(=O)CBr 584904511 XMHSDGFSKREIDR-UHFFFAOYSA-N 272.142 2.096 50 50 CEGA Cc1noc([C@@H](NC(=O)[C@@H](C)Cl)c2ccccc2)n1 1875364634 OZQKYUGYOXRPNA-KCJUWKMLSA-N 279.727 2.211 50 50 CEGA C[C@@H](NC(=O)CCl)C(=O)Nc1ccc(Cl)cc1 1875363574 KBGVCMLMFFQQNX-SSDOTTSWSA-N 275.135 2.022 50 50 CEGA O=C(N/N=C/c1ccccc1F)c1ccc([N+](=O)[O-])cc1 249321 NEDIIEBOMLZYTQ-CXUHLZMHSA-N 287.250 2.498 50 50 CEGA CCOC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 4365392 WWWRVNSUEHRMQD-XYOKQWHBSA-N 251.242 2.065 50 50 CEGA NNC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1 400201 YMWMNQDCZBJGTO-UHFFFAOYSA-N 288.282 2.073 50 50 CEGA BrC[C@H]1Cn2c(nnc2-c2cccnc2)S1 553607 RAHPLJHDYLAVAY-QMMMGPOBSA-N 297.181 2.209 50 50 CEGA COc1cccc(C(=O)NN/C=C/C(=O)c2ccccc2)c1 2893246 PMBSNSNUBJQPBH-ZHACJKMWSA-N 296.326 2.326 50 50 CEGA C/C(=N/NC(=O)c1ccoc1C)c1ccccc1O 100614905 FYOSVRCALVWUKM-DHDCSXOGSA-N 258.277 2.448 50 50 CEGA COc1cccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 299832 UHQHJVJAXHBUND-MHWRWJLKSA-N 299.286 2.367 50 50 CEGA O=C(CCl)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 1319681947 GRZDQDGBJHGGCU-AWEZNQCLSA-N 281.739 2.264 50 50 CEGA COc1cc(COC(=O)Cl)c([N+](=O)[O-])cc1OC 2516804 RWWPKIOWBQFXEE-UHFFFAOYSA-N 275.644 2.487 50 50 CEGA in-vitro COc1cc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)ccc1O 100310987 JDQROOBALINTLI-FAJFRMSXSA-N 288.347 2.287 50 50 CEGA CC1(C)COB(c2ccc(CBr)cc2)OC1 169747852 HIJSVCZXPKJRHJ-UHFFFAOYSA-N 282.974 2.350 50 50 CEGA COc1cc(C=O)ccc1OCCBr 2566294 VFSWCDPTQADMSM-UHFFFAOYSA-N 259.099 2.281 50 50 CEGA O=C1[C@@H](Br)CCN1Cc1ccccc1 67802397 JDALTJHKFDANJI-JTQLQIEISA-N 254.127 2.182 50 50 CEGA CS(=O)(=O)c1ccc(CBr)c(F)c1 169807524 SCIXMRMYVLKFBO-UHFFFAOYSA-N 267.119 2.124 50 50 CEGA C[C@@H](OC(=O)Nc1ccccc1)C(=O)OCCCl 2041747 FYYFIFFHDLIPFU-SECBINFHSA-N 271.700 2.406 50 50 CEGA CC1=CC[C@H](C(C)(C)NC(=O)CCl)C/C1=N/O 107511779 IVDYROGRXOPUPV-KOUBLQELSA-N 258.749 2.307 50 50 CEGA C[C@@H](Cl)C(=O)N1CC[C@@H](CC#N)C(F)(F)CC1 1875370278 IQPVVRHXUYUDLN-RKDXNWHRSA-N 264.703 2.401 50 50 CEGA C[C@H](Cl)C(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 1875377857 PFRWXZQJZOLCKP-TUAOUCFPSA-N 272.820 2.383 50 50 CEGA O=C(/C=C/c1cccs1)NNC(=O)C1CCCCC1 511711 IUUNUGPRHKGNPW-CMDGGOBGSA-N 278.377 2.489 50 50 CEGA O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(Cl)cc1 5731663 PDLNSFBVMKITTC-UHFFFAOYSA-N 299.717 2.426 50 50 CEGA COC(=O)C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 169748361 CTZDWHZODOCMCT-SECBINFHSA-N 276.405 2.415 50 50 CEGA CCSc1nnc(NC(=O)[C@@H](C)Cl)s1 4079107 XPWOOHOBQMYJPF-SCSAIBSYSA-N 251.764 2.216 50 50 CEGA CC1(C)CC(=O)C/C(=N/NC(=O)[C@@H]2CC23CCC3)C1 100315854 OSABRNKWWBTFRB-KPENOIPVSA-N 262.353 2.428 50 50 CEGA COc1ccc(-c2cc(CNC(=O)CCl)on2)cc1 1389596 CXYDOYZMLPXBCL-UHFFFAOYSA-N 280.711 2.205 50 50 CEGA COc1ccc(CCNC(=O)C(Cl)Cl)cc1 441550 PFHAEEKKRFKWOB-UHFFFAOYSA-N 262.136 2.158 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 1875363919 DOGYIPAWXHFIEH-DCAQKATOSA-N 255.749 2.110 50 50 CEGA C[C@H](NC(=O)CCl)c1cnn(CC2CCC2)c1 1335151284 WBAXQSAKUJJDPR-VIFPVBQESA-N 255.749 2.099 50 50 CEGA NNC(=O)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 263639886 NFMDAEYPWVPZIS-UHFFFAOYSA-N 297.236 2.496 50 50 CEGA C[C@H](Br)[C@@](C)(Br)C(=O)O 5046368 WWYSKCWQDVVVKF-WVZVXSGGSA-N 259.925 2.008 50 50 CEGA CC[C@H](Br)C(=O)Nc1ccc(C(=O)O)cc1 3161439 KVTXPJWARJYDQZ-VIFPVBQESA-N 286.125 2.497 50 50 CEGA COc1ccc(NC(=O)[C@H](C)Br)cc1OC 32919887 QELKSBIJCLTLSB-ZETCQYMHSA-N 288.141 2.426 50 50 CEGA N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)NCc1ccco1 145723 WCUILGUMYVBWGB-MDWZMJQESA-N 296.282 2.201 50 50 CEGA C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1cccnc1 5020009 PVBULABVPCUROX-LDADJPATSA-N 282.347 2.302 50 50 CEGA CC(=O)O[C@H]1NC(=O)[C@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 169746172 GWHDKFODLYVMQG-HLUHBDAQSA-N 287.432 2.032 50 50 CEGA O=C(OCCCl)n1c(=O)oc2ccc(Cl)cc21 2307907 ONTYJCPFCUNEBG-UHFFFAOYSA-N 276.075 2.471 50 50 CEGA COc1cccc(OC)c1OCCBr 1849797 ROCQBXNHIFPJMQ-UHFFFAOYSA-N 261.115 2.478 50 50 CEGA C[C@@H](CO)N(Cc1ccccc1Cl)C(=O)CCl 1875378560 GGYFVIQITWMPBC-VIFPVBQESA-N 276.163 2.288 50 50 CEGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 175899 LDCJHBPONKAQST-CXUHLZMHSA-N 268.272 2.179 50 50 CEGA Cc1ccc(C(=O)NS(=O)(=O)CCCCCl)s1 1875323957 DWOGNDLVPPEYLC-UHFFFAOYSA-N 295.813 2.135 50 50 CEGA CCOC(=O)[C@H](Br)CCBr 2044146 VNXZZPZKCMJBME-RXMQYKEDSA-N 273.952 2.098 50 50 CEGA O=C1N(Cc2ccccc2)CC1(CCl)CCl 196279279 XTHOOJYASOZOSW-UHFFFAOYSA-N 258.148 2.493 50 50 CEGA O=C(NNc1ncnc2ccccc12)c1ccsc1 585157917 MEFKGXSYICEUSB-UHFFFAOYSA-N 270.317 2.448 50 50 CEGA Cc1cccc(OCC(=O)N/N=C/c2ccco2)c1 247400 NUHSOVFNEWVLAT-OQLLNIDSSA-N 258.277 2.117 50 50 CEGA O=C(N/N=C/c1cccc(Br)c1)C1CC1 436773 NQCXDUHIGMTYKV-NTUHNPAUSA-N 267.126 2.309 50 50 CEGA O=C(N/N=C/c1ccc[nH]1)[C@H]1C[C@H]1c1ccccc1 4144998 FVEWTLALAOXCBQ-JUACWREWSA-N 253.305 2.269 50 50 CEGA C/C(=N\NC(=O)COc1cccc(C)c1)c1ccncc1 4964649 KQFZTAUEEPXENM-QGOAFFKASA-N 283.331 2.309 50 50 CEGA O=C(CCl)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 1875374920 JTBZZHXSAVNGLG-VHSXEESVSA-N 299.758 2.214 50 50 CEGA C[C@H](NC(=O)CCl)[C@H](O)c1cc(F)cc(Cl)c1 1875378498 FBJSQTNPEVGEOU-KGFZYKRKSA-N 280.126 2.256 50 50 CEGA CC[C@@H](C#N)Oc1cccc(CNC(=O)CCl)c1 1253968649 RNSRXDXLOZGPSY-NSHDSACASA-N 266.728 2.223 50 50 CEGA C/C(=N\NC(=O)CC(=O)O)C12CC3CC(CC(C3)C1)C2 22205629 ZYFJIKCNYRCRQV-CXUHLZMHSA-N 278.352 2.170 50 50 CEGA CCn1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(C)n1 371641 VJDXDJHHSNGLJH-DTEALPLXSA-N 296.374 2.465 50 50 CEGA O=C(CBr)NCc1ccc(F)c(Cl)c1 82511116 IGLOBWKDSIQESW-UHFFFAOYSA-N 280.524 2.490 50 50 CEGA Cn1nc(C(C)(C)NC(=O)CCl)c2ccccc21 1875367928 AKKJZOOYIZBABR-UHFFFAOYSA-N 265.744 2.163 50 50 CEGA CC1(C)CN(CCNC(=O)CCl)c2ccccc21 1875378557 GDVXBCLLEKOMLT-UHFFFAOYSA-N 266.772 2.139 50 50 CEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccco1 52196 VCOFSMLXFHYCKS-LBPRGKRZSA-N 256.261 2.094 50 50 CEGA C[C@H](Cl)C(=O)N[C@H](C)c1cnn(CC2CCC2)c1 1875367237 DSHGPOGBPWQOOA-VHSXEESVSA-N 269.776 2.488 50 50 CEGA C[C@@H](Cl)C(=O)N1CCC(c2noc(C3CC3)n2)CC1 1875377564 HFRCEVRGASVZKA-MRVPVSSYSA-N 283.759 2.280 50 50 CEGA O=C(CCl)NC1CCN(CC2=CCCCC2)CC1 1875367866 UGVRYASZOYPGBR-UHFFFAOYSA-N 270.804 2.306 50 50 CEGA COc1ccc(C(=O)O)cc1-c1noc(CCl)n1 34924969 KWQWJGVKUUSNRF-UHFFFAOYSA-N 268.656 2.182 50 50 CEGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(O)cc1 16993711 NRJDPEFAKOQZMF-CXUHLZMHSA-N 284.319 2.147 50 50 CEGA O=P(N1CCCC1)(N1CCCC1)N1CCCC1 100004330 GQOGEHIVQIMJMO-UHFFFAOYSA-N 257.318 2.382 50 50 CEGA Cn1sc2ccccc2c1=NNC(=O)c1ccccc1 409415929 IBVAWMURTKKKLF-UHFFFAOYSA-N 283.356 2.486 50 50 CEGA Cc1cc(OCc2ccc(C(=O)NN)o2)ccc1Cl 2578464 QQKAMNOABKWTGI-UHFFFAOYSA-N 280.711 2.424 50 50 CEGA COc1cc(/C=N/NC(=O)c2cccs2)ccc1O 248945 SSBKRCFODRDMFY-RIYZIHGNSA-N 276.317 2.226 50 50 CEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 282888 KAZKMEWEGJWMSP-CXUHLZMHSA-N 287.250 2.498 50 50 CEGA CCOC(=O)C/C(C)=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1 5315314 ICULRNROKKFCHD-GRSAQOKDSA-N 288.347 2.235 50 50 CEGA CC(C)(C)OC(=O)N1CC(CI)C1 44682139 CJVGFEARJOREHI-UHFFFAOYSA-N 297.136 2.288 50 50 CEGA in-vitro O=C(CCl)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 1319675115 UZCFTKUMMPAGRW-ZFWWWQNUSA-N 289.766 2.467 50 50 CEGA COc1cc2c(cc1OC)C1=C(C#N)CCC(=O)N1CC2 619591 PTZHCSZOLMODSW-UHFFFAOYSA-N 284.315 2.117 50 50 CEGA CC(C)(C)OC(=O)N1CCC(C=O)(CCl)CC1 118909041 VPOBZXCLXJPHPH-UHFFFAOYSA-N 261.749 2.441 50 50 CEGA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCl 2571638 NYTALCTUPGWLQZ-TZMCWYRMSA-N 278.783 2.368 50 50 CEGA biogenic N#CCC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 442266 JMQQDECIFGJZCJ-CXUHLZMHSA-N 298.258 2.219 50 50 CEGA COC(=O)[C@H](Br)CCCBr 2583941 YVHCGWPKBSEBTH-RXMQYKEDSA-N 273.952 2.098 50 50 CEGA in-vitro Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)o1 43640 RNTJLPACTSSXQQ-CYBMUJFWSA-N 270.288 2.403 50 50 CEGA NC(=O)N/N=C/c1cc(Cn2cnc3ccccc32)cs1 1432808 OZVGVPTWGBPKGN-UBKPWBPPSA-N 299.359 2.148 50 50 CEGA O=C(CNc1ccc(F)cc1)N/N=C/c1cccs1 252212 CFKXSGTVJFKFCE-LZYBPNLTSA-N 277.324 2.449 50 50 CEGA CC(C)(C)CC[C@@H](NC(=O)CCl)c1nc[nH]n1 1875376731 GVHFYENPVDLPDI-MRVPVSSYSA-N 258.753 2.027 50 50 CEGA O=C(N/N=C/c1cccc(Cl)c1)c1ccncc1 230903 WAKQXHNWZWETLT-CXUHLZMHSA-N 259.696 2.499 50 50 CEGA Cc1ccccc1CNC(=O)[C@@H](C)Br 41699391 KZKOIUTVQWNVTM-SECBINFHSA-N 256.143 2.395 50 50 CEGA O=C(NNC(=O)c1ccccc1)Nc1ccccc1 83901 WPMMTXFVYJICDR-UHFFFAOYSA-N 255.277 2.153 50 50 CEGA in-vitro Cc1ccc(C(C)C)c(OCc2ccc(B(O)O)cc2)c1 169903624 FBZSTYQOBCWTEC-UHFFFAOYSA-N 284.164 2.377 50 50 CEGA CC1=C(C#N)C(c2cc(O)ccc2O)C(C#N)=C(C)N1 407488 MEAZRLVECLLIKQ-UHFFFAOYSA-N 267.288 2.380 50 50 CEGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccncc1 6800 YRXIZOPHHNNLIT-VCHYOVAHSA-N 264.288 2.327 50 50 CEGA CC(C)[C@@H](NC(=O)[C@@H](C)Cl)c1nc(C2CC2)no1 1875363974 GLWBHKOCEFFVGI-VXNVDRBHSA-N 271.748 2.388 50 50 CEGA CC(C)(C)c1ccc(OCc2ccccc2)c(B(O)O)c1 169746265 LRTVCRYAQQIJBL-UHFFFAOYSA-N 284.164 2.243 50 50 CEGA O=C(CCl)NCc1ccn(-c2c(F)cccc2F)n1 1875374684 CNOBAUBXOYJHSH-UHFFFAOYSA-N 285.681 2.006 50 50 CEGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 1875364818 UYBSPPYFKZGLHD-MRVPVSSYSA-N 266.728 2.161 50 50 CEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1 2572294 BHPCUAORJUFAHK-LDADJPATSA-N 295.342 2.338 50 50 CEGA O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C=C(c5ccccc5)[C@H]43)[C@@H]12 103935960 WRNPURQQOXPFLD-HVCGAPEVSA-N 278.307 2.448 50 50 CEGA C[C@H](Sc1ccccc1)C(=O)NN=C1CCN(C)CC1 55433738 HJLDJLWPZXCMEY-LBPRGKRZSA-N 291.420 2.365 50 50 CEGA O=C(CCl)N1C[C@H]2C[C@H]1CN2Cc1cccc(Cl)c1 1875387229 VSKDLORAYNFUSV-OLZOCXBDSA-N 299.201 2.364 50 50 CEGA COc1ccccc1NC(=O)[C@H](C)Br 163597 NCKXHHANTBQLTI-ZETCQYMHSA-N 258.115 2.417 50 50 CEGA NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 34926195 YPZUEZIWOGKFLM-UHFFFAOYSA-N 289.722 2.196 50 50 CEGA O=C1[C@H]2C[C@H]3C[C@@H](C2)[C@H](I)[C@H]1C3 230069944 PLSIVLGZSAHBHL-NXRLNHOXSA-N 276.117 2.425 50 50 CEGA C[C@H](NC(=O)CCl)C(=O)Nc1ccc(Cl)cc1 1875363575 KBGVCMLMFFQQNX-ZETCQYMHSA-N 275.135 2.022 50 50 CEGA CC1(C)Cc2ccccc2C(NNC(=O)c2ccco2)=N1 4990478 YFLIUHUEJUBZEO-UHFFFAOYSA-N 283.331 2.296 50 50 CEGA CN(C)/C=C1\Cc2ccccc2NC1=C(C#N)C#N 55464335 XTCVKFKJOIXNJR-ZRDIBKRKSA-N 250.305 2.401 50 50 CEGA COc1ccc2c(c1)[C@H](NC(=O)CCl)[C@H](OC)CC2 1875376629 DJYGKECSCKRRFN-OCCSQVGLSA-N 283.755 2.053 50 50 CEGA CN(C)c1ccc(/C=N/NC(=O)c2ccccc2N)cc1 1754284 NQPGZCRWALRHJC-WOJGMQOQSA-N 282.347 2.099 50 50 CEGA O=C(/C=C/Sc1ccccc1)NNC1CCOCC1 2325797774 SZJDDGDDWKAVHX-DHZHZOJOSA-N 278.377 2.092 50 50 CEGA O=C(CN1CCCCCC1)N/N=C/c1cccc(F)c1 4990381 UEYHUGCJLKOFNW-GZTJUZNOSA-N 277.343 2.152 50 50 CEGA CCc1[nH]nc2c1[C@H](c1ccsc1)C(C#N)=C(N)O2 8680678 QKCKCQDAMDBKOO-SNVBAGLBSA-N 272.333 2.252 50 50 CEGA CCCn1ccnc1CCCN(C)C(=O)[C@@H](C)Cl 1875377956 SBZWDCJSAURVAR-LLVKDONJSA-N 271.792 2.311 50 50 CEGA C[C@@H](Cl)C(=O)N[C@H](C)c1nccc(C(F)F)n1 1875376152 NKOGHBXGTSDEGB-PHDIDXHHSA-N 263.675 2.219 50 50 CEGA C[C@H](NC(=O)CCl)c1nccn1-c1ccccc1 1875378328 ZWNORHBLNAIZJF-JTQLQIEISA-N 263.728 2.288 50 50 CEGA CC1(C)Cc2cccc(CCNC(=O)CCl)c2O1 1875377844 PAVAUJLDDONKEK-UHFFFAOYSA-N 267.756 2.298 50 50 CEGA CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C(C#N)=C(N)O1 77677 JOJCYKQTOFIGHU-AWEZNQCLSA-N 299.330 2.115 50 50 CEGA COC(=O)C[C@@H](Br)C(=O)c1ccccc1 39277588 HOHUCDGNYVWANV-SECBINFHSA-N 271.110 2.196 50 50 CEGA COc1ccc(CC(=O)NNC(=O)c2ccccc2C)cc1 299051 BYFPZNAQGZPPQA-UHFFFAOYSA-N 298.342 2.007 50 50 CEGA Cc1cc(C)n(-c2ccccc2CNC(=O)CCl)n1 1319785961 QKHSRMMXGUZMNI-UHFFFAOYSA-N 277.755 2.344 50 50 CEGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccco1 5353696 JOQPIOUIONQUMT-RIYZIHGNSA-N 258.281 2.034 50 50 CEGA CC(C)(C)OC(=O)N1CCOC[C@@H](CBr)C1 306386117 BVJXORMQZNDTOW-VIFPVBQESA-N 294.189 2.265 50 50 CEGA COC1=N/C(=C(\C#N)c2ccccc2)C=C/C1=N\O 71771418 ULDZFSPWBVBOKT-AETJLUGGSA-N 253.261 2.366 50 50 CEGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)[C@H]1C[C@@H]1c1ccccc1 239128761 KTDSHTNRSBGIEE-LEOABGAYSA-N 298.386 2.374 50 50 CEGA C[C@@H](Cl)C(=O)N(c1ccccc1)[C@H]1CCOC1 1875377755 MWFXESXYYKAINF-PWSUYJOCSA-N 253.729 2.436 50 50 CEGA COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1 59633 FVFJLTPQIFBTGJ-GZTJUZNOSA-N 284.315 2.468 50 50 CEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 298655 CJCLLVTVAGEMOQ-CXUHLZMHSA-N 287.250 2.498 50 50 CEGA CCOC(=O)/C(C#N)=C1/C=CN(c2ccccc2)C=N1 13112045 XUZZXSRZRBGXHG-YPKPFQOOSA-N 267.288 2.389 50 50 CEGA Cc1cc(C)cc(OCc2ccc(C(=O)NN)o2)c1 135546 DZAXKEKCWHVSEQ-UHFFFAOYSA-N 260.293 2.079 50 50 CEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 196745 LTSDHGJQZPQDEP-CQSZACIVSA-N 282.299 2.207 50 50 CEGA CC(C)(C)[C@@]1(C)O[C@](O)(C(Cl)Cl)CC1=O 447367 ADFBOHINSCUDJG-UWVGGRQHSA-N 255.141 2.273 50 50 CEGA C[C@H](Cl)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 1875366336 BNPNLIUKKPFQET-QMMMGPOBSA-N 257.765 2.293 50 50 CEGA CC(C)(C)[Si](C)(C)n1ccc2ccc(B(O)O)cc21 169743438 KALVCXCOXCPCOZ-UHFFFAOYSA-N 275.233 2.174 50 50 CEGA Cc1cccc(C(=O)NNC(=O)c2cccc(C)c2)c1 143041 GYFCOKOXDQWIOA-UHFFFAOYSA-N 268.316 2.378 50 50 CEGA CC(C)c1ccc(CN2CCC[C@@H](C(=O)NN)C2)cc1 4949105 XUFLNHYJWCEETJ-OAHLLOKOSA-N 275.396 2.012 50 50 CEGA CCn1ncc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C 2758969 AQXSQDWJMBVYHB-CQSZACIVSA-N 298.346 2.026 50 50 CEGA COc1ccc(C)cc1NC(=O)CBr 5750537 AJRVGAHQAUSEMH-UHFFFAOYSA-N 258.115 2.337 50 50 CEGA O=C(O)c1ccccc1C(=O)NNc1ccccc1 290253 PHAXKMWEHYBPQC-UHFFFAOYSA-N 256.261 2.142 50 50 CEGA CC(C)N1CCC(=NNC(=O)c2cccs2)CC1 55008601 YHVGXOGFWGPMRC-UHFFFAOYSA-N 265.382 2.338 50 50 CEGA CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1 252427748 DRRYGRDLHFBOTK-UHFFFAOYSA-N 295.342 2.474 50 50 CEGA C[C@@H](Cl)C(=O)NCCN1CC(C)(C)Oc2ccccc21 1875380072 DJLJPEMSDZWQLB-LLVKDONJSA-N 296.798 2.408 50 50 CEGA O=C(CCl)N1CCO[C@H](CCc2ccccc2)C1 1875374831 GRBNSWZSBDCDMK-CYBMUJFWSA-N 267.756 2.085 50 50 CEGA COc1ccc(C(=O)CBr)c(OC)c1 1606070 PKVBZABQCCQHLD-UHFFFAOYSA-N 259.099 2.281 50 50 CEGA COc1cc(N/C=C(/C#N)C(N)=S)c(OC)cc1Cl 100331428 YLZIXQISQIUEPL-SREVYHEPSA-N 297.767 2.463 50 50 CEGA CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)CCl 1875375048 OXDQWJSDIINKIN-UHFFFAOYSA-N 280.755 2.471 50 50 CEGA C[C@H](Cl)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 1875364231 JXQOVUAXKDYONW-WOPDTQHZSA-N 266.772 2.397 50 50 CEGA CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1 195763929 BKXVGDZNDSIUAI-UHFFFAOYSA-N 290.438 2.300 50 50 CEGA Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1 154324 RANFSJFWLRPNDQ-GZTJUZNOSA-N 278.315 2.407 50 50 CEGA COc1ccccc1/C=N/NC(=O)Cc1cccs1 554119 FYWIOIBUPSXESW-XNTDXEJSSA-N 274.345 2.450 50 50 CEGA CC(C)(C)[Si](C)(C)Oc1cc(F)c(F)c(B(O)O)c1 169904580 PYVUCBDNFYCJFO-UHFFFAOYSA-N 288.175 2.029 50 50 CEGA O=C(CCl)NCc1cc(Cl)c2cccnc2c1O 20435995 ZMJVXGMZEGJXHH-UHFFFAOYSA-N 285.130 2.449 50 50 CEGA C[C@H](Cl)C(=O)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 1875367128 LNYMVQIRVXBVHA-LNSITVRQSA-N 279.767 2.040 50 50 CEGA CC(C)(C)OC(=O)NNc1ccc([N+](=O)[O-])cc1 19721817 JGHNMFQIFLJPRR-UHFFFAOYSA-N 253.258 2.446 50 50 CEGA O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 4036692 JIBIXOHUBNJKAF-UHFFFAOYSA-N 299.374 2.059 50 50 CEGA COC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 368027 LSPNZAOLQZVESN-UHFFFAOYSA-N 284.315 2.206 50 50 CEGA COC[C@@H](NC(=O)[C@@H](C)Cl)c1ccc(F)c(F)c1 1875378138 WFGCBVAWWDEQQG-RDDDGLTNSA-N 277.698 2.396 50 50 CEGA O=C(CSc1ccccn1)N/N=C/c1ccc(F)cc1 195907 TVJGLLZBJMXLBX-RQZCQDPDSA-N 289.335 2.463 50 50 CEGA O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)c1ccncc1 16133838 ALVBNBDHRRMTDX-CHJZLOBXSA-N 296.286 2.419 50 50 CEGA CCOC[C@H](Br)C(OCC)OCC 1690189 NHUHYFRSGSQZIQ-QMMMGPOBSA-N 255.152 2.186 50 50 CEGA COC(=O)N[C@@H]1CC=C[C@H](C)[C@@H]1I 101042537 RQOHCIVUEPWJAJ-RNJXMRFFSA-N 295.120 2.111 50 50 CEGA CN(C)c1ccc(/C=C2/C(=O)ON=C2CCl)cc1 34926712 KYITTZMWROUXQW-YRNVUSSQSA-N 264.712 2.288 50 50 CEGA C/C(=N\NC(=O)COc1ccccc1)c1cccc(N)c1 4579513 JRNWNAZJBYQFMS-LDADJPATSA-N 283.331 2.188 50 50 CEGA Cc1ncccc1OC[C@H]1CCCN1C(=O)[C@@H](C)Cl 1875377278 BFHNNLBQMUHMQO-ZYHUDNBSSA-N 282.771 2.387 50 50 CEGA C[C@H](Cl)C(=O)N(C)C1CCN(c2ccccn2)CC1 1875364813 UTZJJPUHWZUYLV-NSHDSACASA-N 281.787 2.136 50 50 CEGA CO[C@H]1CCC[C@@H](C(=O)OC(=O)[C@H]2CCC[C@@H](OC)C2)C1 100541950 TVBRIPPTJYOUSG-LVEBTZEWSA-N 298.379 2.467 50 50 CEGA C=CC[C@]1(C#N)C(=S)NC(N)=C(C#N)C12CCCC2 495596 PLZWXGASDUWMQC-AWEZNQCLSA-N 272.377 2.257 50 50 CEGA COCc1[nH]nc2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 20064765 WWCHKHPPGPKKIL-JOYOIKCWSA-N 286.335 2.082 50 50 CEGA Cc1[nH]nc2c1[C@@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 550765 PKNANNBHWJRMEK-CABZTGNLSA-N 256.309 2.244 50 50 CEGA CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](F)C1 238123407 GFICPINAPXXEHE-NKWVEPMBSA-N 268.126 2.339 50 50 CEGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccco1 138988 HOGGWOAYHVNUBM-CXUHLZMHSA-N 282.303 2.088 50 50 CEGA N#C/C(=C\c1ccccc1)C(=O)NCc1cccnc1 8395825 JWPGQCLNUWLKHB-OQLLNIDSSA-N 263.300 2.305 50 50 CEGA