smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCOc1ccc(CC(=O)NN)cc1Br 3187136 VSYWBCQTLHKKKW-UHFFFAOYSA-N 301.184 2.160 50 50 DEGA Cc1cc(C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)ncn1 1616040500 NJXWZAIVLDAGKY-UHFFFAOYSA-N 312.373 2.371 50 50 DEGA Cc1nc2ccccn2c1C(=O)N/N=C\c1ccccc1[N+](=O)[O-] 4460197 QYMKPFWXJSFNRC-YVLHZVERSA-N 323.312 2.315 50 50 DEGA O=C(CCl)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 1875376567 BCWFPZRVAFBTPG-YHQUGGNUSA-N 312.841 2.205 50 50 DEGA CCO[C@@H]1C[C@@H]2CN(C(=O)[C@H](C)Cl)Cc3cccnc3N2C1 1875376198 OSSGCEOJFKRWRW-IACUBPJLSA-N 323.824 2.035 50 50 DEGA C=CCc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c1O 9007974 HHNYFJIMVZLLNC-YBFXNURJSA-N 324.384 2.487 50 50 DEGA O=C(CCl)N1CC[C@](O)(c2ccc(C(F)(F)F)cc2)C1 1875369002 LXCFTFIFDBAMBU-GFCCVEGCSA-N 307.699 2.364 50 50 DEGA C[C@@H]1OCC[C@@H]1C(=O)N/N=C/c1cn(CCC#N)c2ccccc12 2325754769 WAEGFZFWCCSLOS-GESVFMFZSA-N 324.384 2.430 50 50 DEGA CN(C)c1cccc(C(=O)NNC(=O)NC2CCCCC2)c1 2854023 GYBZOYBUEVPXNR-UHFFFAOYSA-N 304.394 2.029 50 50 DEGA O=C(CCl)N1CC[C@@](O)(c2ccc(C(F)(F)F)cc2)C1 1875369005 LXCFTFIFDBAMBU-LBPRGKRZSA-N 307.699 2.364 50 50 DEGA CC(NCCCn1ccnc1)=C(C#N)C(=O)NC1CCCCC1 2049286304 PZPBZOLFMAIGQJ-UHFFFAOYSA-N 315.421 2.109 50 50 DEGA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)CC(C)(C)CCl 585115366 XUGORDRKXHAYGE-VIFPVBQESA-N 322.858 2.407 50 50 DEGA N#C/C(=C\c1ccc(O)c(O)c1)S(=O)(=O)c1ccccc1 621364 BNVARJNOGSWBHN-MDWZMJQESA-N 301.323 2.436 50 50 DEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 5536309 AOFFVMXHURUJBA-CXUHLZMHSA-N 315.333 2.018 50 50 DEGA COc1ccc(OC)c(NC(=O)NNC(=O)c2cccs2)c1 13323956 LWVJIMGDFJJGND-UHFFFAOYSA-N 321.358 2.232 50 50 DEGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O 585224 RISOCGVDUDEAMC-CAOOACKPSA-N 320.732 2.280 50 50 DEGA Cn1nc(C(F)(F)F)c(Cl)c1CNC(=O)[C@@H](F)Cl 1875361786 BMAAQZSVUZKMAU-ZCFIWIBFSA-N 308.062 2.243 50 50 DEGA Cn1nc(C(F)(F)F)c(Cl)c1CNC(=O)[C@H](F)Cl 1875361785 BMAAQZSVUZKMAU-LURJTMIESA-N 308.062 2.243 50 50 DEGA COc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1OC 4109607 XWCLPYQEEZNMCO-UHFFFAOYSA-N 317.301 2.369 50 50 DEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/C(C)=C/c1ccccc1 100574931 KCPCPLJHHOSEPY-RCRDYHLVSA-N 312.373 2.094 50 50 DEGA Cc1cc(C)n(CC(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)n1 1875390461 XHZUJUSMWHMRPW-RTUFDUHWSA-N 300.406 2.428 50 50 DEGA CCn1cc(/C=N/NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)n1 2089922 XNDBFQUYYPNZIM-WFWRNDJQSA-N 303.193 2.245 50 50 DEGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)[nH]n1 4066934 BSMRNKXAPHCNKD-CAOOACKPSA-N 314.345 2.200 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 43713 JSFCGTGJSDAJNB-CQSZACIVSA-N 311.297 2.410 50 50 DEGA CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)[C@@H](C)Cl 1875377599 IDQMRQDZCXDTFT-SNVBAGLBSA-N 308.769 2.496 50 50 DEGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CO)nc1 289089 HQJNJFVJKALQGS-KEBDBYFISA-N 321.336 2.197 50 50 DEGA Cc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)[nH]n1 1236850 GQZKTKKWWAKNBL-VCHYOVAHSA-N 322.372 2.285 50 50 DEGA COc1ccccc1/C=N\NC(=O)c1cc(C(C)(C)C)n[nH]1 12381536 MWYHCZJNIKVLSK-YVLHZVERSA-N 300.362 2.480 50 50 DEGA O=C(CSc1ccccn1)N/N=C/c1ccc2c(c1)OCO2 195897 JCLVXOMRMMSNHH-CAOOACKPSA-N 315.354 2.053 50 50 DEGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 492506 RPVYTFVCUFUALO-AWEZNQCLSA-N 310.309 2.175 50 50 DEGA O=C1C(C(F)(F)F)=C(Cl)N=C[C@H]1I 100645222 VMCRWWVNAHBMGN-UWTATZPHSA-N 323.439 2.456 50 50 DEGA CC(C)[C@H](CS(=O)(=O)c1ccccc1)OC(=O)CCl 43198925 LFHINAXTPXMSEC-LBPRGKRZSA-N 304.795 2.267 50 50 DEGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 2566412 RQSGLQOSJFBJJR-LDADJPATSA-N 311.341 2.174 50 50 DEGA CC[C@@H](Oc1ccc(Br)cc1Cl)C(=O)NN 6603622 MYNXZSVTTJKZTP-MRVPVSSYSA-N 307.575 2.250 50 50 DEGA O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1 36184125 HXXVWZQEMKHRPL-LZYBPNLTSA-N 303.249 2.203 50 50 DEGA COc1nccnc1NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 131914132 PTEVPAPGHWKPQB-GHMZBOCLSA-N 320.299 2.010 50 50 DEGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1COc2ccccc2O1 177439 BEMZLCOGADPGKG-YEWRBRKMSA-N 321.336 2.458 50 50 DEGA COc1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)c([N+](=O)[O-])c1 442021 BFJZKTUZZQEZCX-RMKNXTFCSA-N 313.269 2.256 50 50 DEGA Cc1cc(C)c(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1C 4535366 MFISRYHSOWSPFP-OVCLIPMQSA-N 321.384 2.319 50 50 DEGA CCC[C@H](O)CN(Cc1cccc2c1OCC2)C(=O)CCl 1875382324 YCMDXTLXDXNKDU-AWEZNQCLSA-N 311.809 2.350 50 50 DEGA COc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1O 298478 YSVFEJZZWPVJTO-RQZCQDPDSA-N 316.361 2.185 50 50 DEGA CN(C)c1cccc(C(=O)N/N=C/c2cnc3ccccn23)c1 1875253438 SJRFRCNGQVXHOM-XDHOZWIPSA-N 307.357 2.164 50 50 DEGA O=C(CCl)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 1875376564 BCWFPZRVAFBTPG-ODXJTPSBSA-N 312.841 2.205 50 50 DEGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc[nH]n1 247326 JDMVWSHJWSVRRN-OMCISZLKSA-N 313.144 2.489 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccoc2C)cc(OC)c1OC 381465 ZUBHKECLEOPFHN-RQZCQDPDSA-N 318.329 2.378 50 50 DEGA O=C(CCC1CCCCC1)NNC(=S)NC[C@H]1CCCO1 6644868 XYWIWKGLRFCASX-CYBMUJFWSA-N 313.467 2.021 50 50 DEGA COCc1[nH]nc2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 4453354 OSKDFQDSWMKPLL-GFCCVEGCSA-N 316.748 2.428 50 50 DEGA Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cs1 17054887 WKWJBGYLCZVHOY-UHFFFAOYSA-N 319.342 2.252 50 50 DEGA C[C@H](Cl)C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 1875378175 WQXGCEUKJGVXCU-OIBJUYFYSA-N 322.213 2.254 50 50 DEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)o2)cc1 2748084 OOLKPDOKYNADHA-LICLKQGHSA-N 315.329 2.076 50 50 DEGA C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 2386592 SUHFNHHZORGDFI-SECBINFHSA-N 310.306 2.413 50 50 DEGA in-vitro CCOC(=O)NNC(=O)Nc1ccc(Br)cc1 5060761 OEIJATFMMQTLOI-UHFFFAOYSA-N 302.128 2.232 50 50 DEGA Cc1cc(NNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)nc(C)n1 128662804 PPVQTCVCSLULBB-CHWSQXEVSA-N 300.337 2.479 50 50 DEGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)o1 4282894 BTZFBBXKATUVSJ-LZYBPNLTSA-N 305.721 2.330 50 50 DEGA CCOc1ccccc1NC(=S)NNC(=O)c1ccccn1 5042036 GPXKXMPYZUERGJ-UHFFFAOYSA-N 316.386 2.112 50 50 DEGA Cc1ccccc1[C@H]1C[C@@H]1C(=O)NNc1c(C#N)c(C)nn1C 1875345024 SPQDOYRFZZOURS-KGLIPLIRSA-N 309.373 2.155 50 50 DEGA CC[C@H](NC(=O)/C(C#N)=C\c1cn(CC)nn1)c1ccccc1 899368543 JEDXOYRKOIBNON-DNXIFWLFSA-N 309.373 2.472 50 50 DEGA COc1cc(C(=O)N/N=C/c2ccco2)cc(OC)c1OC 491873 FOWGQKXNSZRNFV-CXUHLZMHSA-N 304.302 2.069 50 50 DEGA O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccncc1 55071891 RDCVJTMJAPQAMJ-UHFFFAOYSA-N 308.385 2.463 50 50 DEGA C[C@H]1C[C@H](NC(=O)[C@@H](C)Cl)c2ccsc2S1(=O)=O 1875376254 QCYVQANVHOOKBM-OOZYFLPDSA-N 307.824 2.099 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccccc2)cc(OC)c1OC 493641 UMYPRUSGONOULG-WOJGMQOQSA-N 314.341 2.476 50 50 DEGA O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc2ccccc2n1 5093481 KDJGJGYPAJKINJ-UHFFFAOYSA-N 316.320 2.321 50 50 DEGA CO[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1 2965559 FKOYVXSHZRDYIR-CQSZACIVSA-N 318.760 2.489 50 50 DEGA COCCCNC(=O)/C(C#N)=C/c1cnc(-c2ccco2)s1 170617538 IEMXPOMIVLXWNP-DHZHZOJOSA-N 317.370 2.463 50 50 DEGA COc1ccc(OC)c(/C=N/NC(=O)CN2CCCCCC2)c1 4990844 FTZCOUCZGHFSCB-LDADJPATSA-N 319.405 2.030 50 50 DEGA O=C(N/N=C\c1ccncc1)c1cncc(Br)c1 31870550 CIGRRILERNKISL-SOFYXZRVSA-N 305.135 2.003 50 50 DEGA COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1 228818 LDJJVBHMHFGBIR-VXLYETTFSA-N 308.341 2.195 50 50 DEGA CCc1[nH]nc2c1[C@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 4453452 NTLMFOHZGQMOEC-GFCCVEGCSA-N 302.284 2.468 50 50 DEGA O=C(NNc1nc2cccnc2s1)c1ccc2cc[nH]c2n1 1633699953 QMQJVZYGLLJWNB-UHFFFAOYSA-N 310.342 2.325 50 50 DEGA O=[P@](O)(c1ccccc1)c1nccn1C(F)(F)[C@H](F)Cl 3185941 UHPKTHLQUJSPMI-VIFPVBQESA-N 324.626 2.188 50 50 DEGA CCn1c(=O)c(C(=O)NCCCCl)c(O)c2ccccc21 299738341 XUTXMGOFUIPLQR-UHFFFAOYSA-N 308.765 2.086 50 50 DEGA O=C(N/N=C/c1cccc2cccnc12)[C@H](O)c1ccccc1 435044 NIBWMFJZWJXUEV-XNHPLOEXSA-N 305.337 2.419 50 50 DEGA CC1(C)OB(c2ccc(F)c(NC(=O)CCl)c2)OC1(C)C 230553021 LHPAHMLESDKNDI-UHFFFAOYSA-N 313.565 2.302 50 50 DEGA Cc1cccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c1 280697 LLTPWBYWHYKBFX-OVCLIPMQSA-N 319.342 2.494 50 50 DEGA O[C@H](CCl)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 20385264 XMLHXOJURDTKRY-CYBMUJFWSA-N 322.758 2.427 50 50 DEGA C#CC1CN(C(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)C1 1615614102 MEZBPGBKUZXURT-DZGCQCFKSA-N 304.187 2.183 50 50 DEGA Cc1nn(C)c(Oc2ccccc2)c1CCNC(=O)CCl 5724175 HFTBFKVCQMSBJP-UHFFFAOYSA-N 307.781 2.418 50 50 DEGA N#CSc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 9764004 LOJTZIVIVUEDLS-UHFFFAOYSA-N 322.353 2.488 50 50 DEGA CCOC(=O)[C@H](Br)C(=O)c1ccc(OC)cc1 100029111 OWFFTVVEZANQDO-SNVBAGLBSA-N 301.136 2.205 50 50 DEGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 4229801 CMVFJNWJTNUBHB-RGVLZGJSSA-N 309.369 2.184 50 50 DEGA O=C(COc1ccccc1)NNC(=O)[C@H]1C[C@H]1c1ccccc1 285792 VXZVBDYLJPXXOF-HOTGVXAUSA-N 310.353 2.017 50 50 DEGA COc1cc(C(=O)N/N=C/c2ccccc2)cc(OC)c1OC 58976 YYSPJNXAGUXEGN-WOJGMQOQSA-N 314.341 2.476 50 50 DEGA ClC(Cn1nnc2ccccc21)Cn1nnc2ccccc21 5520355 JSFJIVDTDFQOHP-UHFFFAOYSA-N 312.764 2.484 50 50 DEGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(F)cc2)n[nH]1 8837969 ZGCFNWMEZNUGTR-VXLYETTFSA-N 309.304 2.375 50 50 DEGA C=CCn1c(=O)c(C(=O)N/N=C(\C)CC)c(O)c2ccccc21 100730535 AHZIBNRHNNSWJK-WOJGMQOQSA-N 313.357 2.409 50 50 DEGA CC1(C)OB(c2cc(NC(=O)CCl)ccc2F)OC1(C)C 230555492 MJSIHRGGEHGUTI-UHFFFAOYSA-N 313.565 2.302 50 50 DEGA C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CNC(=O)CCl 1875377494 FWYQJBAHVBGMTP-WDEREUQCSA-N 304.818 2.235 50 50 DEGA COc1ccc(CCNC(=O)[C@@H](C)Br)cc1OC 32919987 LFLZCZFWIBFYNZ-SECBINFHSA-N 316.195 2.146 50 50 DEGA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1CC[C@@H](Cl)[C@H]2CC1 254874467 ZVKXEVYHEFWFRT-YNEHKIRRSA-N 305.765 2.078 50 50 DEGA O=C(CCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1 1885406 KCJOJMOORLRBFV-IWGRKNQJSA-N 322.368 2.067 50 50 DEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC(C)C)[C@@H]2C1 106237121 HMPJEAPJAQLKLC-HZPDHXFCSA-N 309.417 2.310 50 50 DEGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC12CCC2 22017678 YPFKBNPNIPTPJF-VIFPVBQESA-N 306.278 2.136 50 50 DEGA O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1cccc(F)c1 36189842 MKQMSRGMISYKEE-LZYBPNLTSA-N 303.249 2.203 50 50 DEGA CCOc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1O 5817681 HOTSRQIMLAQOFE-ZDUSSCGKSA-N 312.329 2.041 50 50 DEGA CCOc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1 621474 AISPHXOMYOXRCX-UHFFFAOYSA-N 316.386 2.112 50 50 DEGA Cc1ccccc1NCC(=O)N/N=C\c1ccc2c(c1)OCO2 32593022 FSCHRJLAHMPTIE-OCKHKDLRSA-N 311.341 2.286 50 50 DEGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccncc1 61563 UFNBDHGHPMABQB-LZYBPNLTSA-N 320.146 2.314 50 50 DEGA CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 4360438 BDZQLVUXJUXELY-LICLKQGHSA-N 300.314 2.260 50 50 DEGA CC(C)C[C@H](Br)C(=O)N[C@H](CC(C)C)C(=O)O 1635529 SKIOHEOZWHHOCD-VHSXEESVSA-N 308.216 2.412 50 50 DEGA Cc1cnc([C@H](C)N2CCN(C(=O)[C@H](C)Cl)CC2)s1 1875366376 DZCQRCCWMLFTPD-QWRGUYRKSA-N 301.843 2.284 50 50 DEGA CNc1ccccc1C(=O)NNC(=O)Nc1ccc(F)cc1 2167775 VBDTXQSCLXIZSE-UHFFFAOYSA-N 302.309 2.334 50 50 DEGA O=C(N/N=C/c1ccc(F)cc1)[C@H]1COc2ccccc2O1 291020 YQUFSDRQOZKGHK-QANDDYDISA-N 300.289 2.116 50 50 DEGA C[C@H](Cl)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 1875366798 BMNSVPRKYMVREZ-ZETCQYMHSA-N 309.719 2.482 50 50 DEGA Cc1cc(C(=O)NNC(=S)NCc2ccccc2)cs1 8684276 JWRCEYSZPPFJRB-UHFFFAOYSA-N 305.428 2.366 50 50 DEGA Cc1scc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)c1C 6825319 AKQIHMHFPSGNTA-UHFFFAOYSA-N 312.391 2.017 50 50 DEGA O=C(O)c1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)cc1 536409 FSOUDGFEZLSAHK-UFWORHAWSA-N 308.297 2.025 50 50 DEGA CC(C)NC(=O)/C(C#N)=C\c1ccc(N2CCC(O)CC2)cc1 864086957 MIJSLOZYTUWHRV-PTNGSMBKSA-N 313.401 2.079 50 50 DEGA C[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1nc(-c2ncccn2)no1 1875364182 JKNWZZBDBXNMEL-NXEZZACHSA-N 321.768 2.208 50 50 DEGA C/C(=N\NC(=O)Cc1cccn1C)c1ccc([N+](=O)[O-])cc1 12561107 LHOOBSWKIAQHPY-LFIBNONCSA-N 300.318 2.016 50 50 DEGA Cc1nn(C)c(NNC(=O)Cc2ccc(Cl)s2)c1C#N 1875345893 LXNBBXUJVZGDAC-UHFFFAOYSA-N 309.782 2.001 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccccc2O)c(OC)c1 299820 DIANNQPMOYBNHM-LICLKQGHSA-N 300.314 2.173 50 50 DEGA Cc1nn(C)c(NNC(=O)Cc2cccc3ccccc23)c1C#N 1875349635 GPWCZXRTAWQUKE-UHFFFAOYSA-N 319.368 2.439 50 50 DEGA COc1ccccc1C(=O)N/N=C1/C(=O)Nc2ccc(C)cc21 5730650 PNJHRDAFJVYEQQ-UHFFFAOYSA-N 309.325 2.090 50 50 DEGA C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 5620931 OYKWLWNTTTZGDL-WOJGMQOQSA-N 311.320 2.111 50 50 DEGA Cc1nn(C)cc1C(=O)NNC(=S)Nc1ccc(Cl)cc1 8578574 XWNPBJBNJUEMAA-UHFFFAOYSA-N 323.809 2.013 50 50 DEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1 4329576 GVNXFHKUBUIXCA-WOJGMQOQSA-N 311.341 2.043 50 50 DEGA Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCl)c(C)c1 1319785818 MUMCXHSUITUCKJ-GFCCVEGCSA-N 312.822 2.382 50 50 DEGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1994718 RHCJSSRUUPNHBF-OQLLNIDSSA-N 314.257 2.267 50 50 DEGA O=[N+]([O-])c1ccc([C@H]2OC(C(Cl)Cl)=N[C@H]2CO)cc1 101356742 OMGSBIRFRRMXTD-DTWKUNHWSA-N 305.117 2.229 50 50 DEGA COc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1[N+](=O)[O-] 5003841 FDGPOYXOXQSDPO-LICLKQGHSA-N 314.301 2.152 50 50 DEGA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)[C@H](C)Cl)n1C 1875380756 YQWZYFNBBPPOAQ-JQWIXIFHSA-N 311.813 2.066 50 50 DEGA O=C(CCl)N1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 1875364197 JTIUTVSUULSELT-UHFFFAOYSA-N 319.792 2.081 50 50 DEGA C[C@H](Cl)C(=O)N1CCC[C@H]([C@H](C)NC(=O)NC(C)(C)C)C1 1875363671 RIUYUXXLYWFMDM-SRVKXCTJSA-N 317.861 2.339 50 50 DEGA CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)[C@H](C)Cl 1875377598 IDQMRQDZCXDTFT-JTQLQIEISA-N 308.769 2.496 50 50 DEGA CCn1cc(/C=N/NC(=O)COc2cccc(C)c2C)c(C)n1 355651 LXYXFSIHSMHFQE-GIJQJNRQSA-N 314.389 2.357 50 50 DEGA O=C(N/N=C/c1cc(O)ccc1Br)c1ccncc1 442548 POUWIUAFMBCQQY-LZYBPNLTSA-N 320.146 2.314 50 50 DEGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1 4209532 GXPQYVRJKKQPQE-VXLYETTFSA-N 315.760 2.220 50 50 DEGA CCCCCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1 2755637 JBYJAFGEMMSTPB-UHFFFAOYSA-N 304.799 2.230 50 50 DEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cccc(OC)c1 57509092 KRLOALFZTVKCGF-CYBMUJFWSA-N 324.764 2.105 50 50 DEGA Cc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 263642 MFPDYUBAMNZVSH-LICLKQGHSA-N 313.313 2.432 50 50 DEGA NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1 445777 ANZAMLXLPQKXOK-UHFFFAOYSA-N 312.398 2.167 50 50 DEGA O[C@@H](CCl)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 20385258 XMLHXOJURDTKRY-ZDUSSCGKSA-N 322.758 2.427 50 50 DEGA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@H](C)Cl)C1 1875366363 DACFTEMWDSXDAG-JQWIXIFHSA-N 315.870 2.359 50 50 DEGA C[C@H](Cl)C(=O)N1CC(c2ccc(Br)cn2)C1 1875388460 BWMVWPPUZGORGB-ZETCQYMHSA-N 303.587 2.397 50 50 DEGA CO[C@@H]1CCCC[C@H]1C(=O)NCCSSCCC(=O)O 1875388863 SUQFHXQOXFJQKU-GHMZBOCLSA-N 321.464 2.164 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 196630 ZCQIPFHEMXKQFZ-AWEZNQCLSA-N 311.297 2.410 50 50 DEGA CC(=O)N1CC[C@H](NC(=O)[C@@H](C)Cl)c2ccc(F)cc2C1 1875378015 UCMIWXWXYLZNGI-OTYXRUKQSA-N 312.772 2.363 50 50 DEGA O=C(CCC1CCCCC1)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 5830054 NKXONQFCSQWYPW-ZIAGYGMSSA-N 322.405 2.161 50 50 DEGA C[C@@H](Cl)C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 1875380491 QQHCRRRBRVNTQB-HTQZYQBOSA-N 309.719 2.208 50 50 DEGA COc1ccc(C2=NO[C@H](CNC(=O)[C@@H](C)Cl)C2)cc1F 1875376313 SEPISJFMBHULNU-SCZZXKLOSA-N 314.744 2.071 50 50 DEGA COc1ccccc1/C=N/NC(=O)CCc1c(C)n[nH]c1C 55839 BYXOVZFVIDTBBP-LICLKQGHSA-N 300.362 2.118 50 50 DEGA O=C(Cn1cnc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 228836 CBZKEKMXYDDUJY-GIJQJNRQSA-N 323.312 2.095 50 50 DEGA O=C(CCl)NNC(=O)C(c1ccccc1)c1ccccc1 9482772 CXAMXCRTIAIZOW-UHFFFAOYSA-N 302.761 2.205 50 50 DEGA COc1cccc(/C=N/NC(=O)COc2cccc(C)c2)c1O 584753 OBZAKDQMLGFGDR-VCHYOVAHSA-N 314.341 2.238 50 50 DEGA C[C@H](Cl)C(=O)Nc1ccc(Cc2nnc3ncccn23)cc1 1875380355 MJNSFZMJCQUSTN-JTQLQIEISA-N 315.764 2.281 50 50 DEGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccn1 186333 XDFPXIKBDUHJFC-RQZCQDPDSA-N 311.370 2.200 50 50 DEGA C/C(Cc1ccccc1)=N\NC(=O)c1nc2nc(C)cc(C)n2n1 290844 SHFIRVCIUCKNGC-UDWIEESQSA-N 322.372 2.090 50 50 DEGA O=C(N/N=C/c1cccs1)C(=O)Nc1cccc(Cl)c1 2025270 YCVAGDYKBFFBHR-OVCLIPMQSA-N 307.762 2.490 50 50 DEGA COC(=O)c1nc([C@@H]2CCCN2C(=O)[C@H](F)Cl)sc1C 2325898731 XROXBVMWKOTALQ-CBAPKCEASA-N 320.773 2.436 50 50 DEGA O=C(N/N=C/c1ccc(Br)s1)c1cnccn1 56199 YIMVKAPFDMBKDU-LHHJGKSTSA-N 311.164 2.065 50 50 DEGA O=C(c1ccc(Cn2ccnn2)cc1)N1CCSSCC1 952964556 UDCOVFYMERTGNX-UHFFFAOYSA-N 320.443 2.164 50 50 DEGA COc1cccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1O 264686 WGRGMPHSJBRMMT-RQZCQDPDSA-N 316.361 2.185 50 50 DEGA O=C(Cn1ccc2ccccc21)NNC(=O)Nc1ccccc1 14775923 YBTAUFRVKHYWPW-UHFFFAOYSA-N 308.341 2.494 50 50 DEGA CCOC(=O)[C@]1(NC(=O)CCl)Cc2ccc(Cl)cc2C1 1875374413 OWEJGSDGKSXQNA-AWEZNQCLSA-N 316.184 2.096 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 196633 ZCQIPFHEMXKQFZ-CQSZACIVSA-N 311.297 2.410 50 50 DEGA CC(C)(C)OC(=O)NCCC(=O)Oc1ccc([N+](=O)[O-])cc1 2522553 NQNGYJVVBTUENI-UHFFFAOYSA-N 310.306 2.415 50 50 DEGA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1CCl 25627785 XATZVBBWKPMHNA-UHFFFAOYSA-N 301.770 2.119 50 50 DEGA O=C(NNC(=S)NCc1ccco1)[C@H]1C[C@@H]1c1ccccc1 17053358 RTIUJQGEVFFQBA-KGLIPLIRSA-N 315.398 2.079 50 50 DEGA O=C(CCl)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 1875375007 NWCCWZSFKMSBDW-ZYHUDNBSSA-N 318.598 2.322 50 50 DEGA Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(B(O)O)c1 169744360 DRJUJFLGEVRYKW-UHFFFAOYSA-N 323.972 2.234 50 50 DEGA NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 82511 XAUUHCLUKWEZCQ-UHFFFAOYSA-N 304.659 2.148 50 50 DEGA COc1ccc(CN(Cc2cnn(C)c2)C(=O)CCl)cc1 2325890340 UCWWZHUUSWRVFD-UHFFFAOYSA-N 307.781 2.196 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(O)cc1 90883 NMAFIHJVWYYFSX-AWEZNQCLSA-N 300.314 2.037 50 50 DEGA N[C@H]1CCCCCC[C@@H]1C(=O)NNc1ncnc2ccsc12 151493147 AGZRZVZGSVXPCQ-QWRGUYRKSA-N 319.434 2.432 50 50 DEGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc2c(c1)OCO2 176238 CZEKQECKTGRWKB-MRXNPFEDSA-N 308.293 2.339 50 50 DEGA O=C(Cc1ccc(O)cc1)NNC(=S)Nc1cccc(F)c1 611684 FQNXINIBQLHLLT-UHFFFAOYSA-N 319.361 2.092 50 50 DEGA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(C)=O)o1 459543 DBBSKXPUCFMOPJ-OVCLIPMQSA-N 303.274 2.333 50 50 DEGA O=C(N/N=C/c1ccccn1)c1n[nH]c2c1CCc1ccccc1-2 229724 UNAJWRFYEVWDCW-RGVLZGJSSA-N 317.352 2.334 50 50 DEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(\C)c1ccc(Cl)cc1 101127759 HVQZDETXEIIANU-LFMVTYOGSA-N 320.780 2.082 50 50 DEGA CC1=CC[C@@H](C(C)(C)NC(=O)CCl)C[C@@H]1NC(=O)CCl 107511966 KZFSELRXPVHNFL-MNOVXSKESA-N 321.248 2.200 50 50 DEGA Cc1nc(C(=O)NCCCSC#N)nn1-c1ccc(F)cc1 808025603 BUZQTETXJCEGJK-UHFFFAOYSA-N 319.365 2.049 50 50 DEGA CC(C)NC(=O)CCN(Cc1ccccc1F)C(=O)CCl 1875374580 XKAMPTGFDKYQJX-UHFFFAOYSA-N 314.788 2.308 50 50 DEGA N#Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2)cc1 2970227 KXLQCAZBCCKKFL-DEDYPNTBSA-N 320.352 2.427 50 50 DEGA COc1nccnc1NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 131914365 PTEVPAPGHWKPQB-MNOVXSKESA-N 320.299 2.010 50 50 DEGA Cc1nn(C)c(NNC(=O)CCc2c[nH]c3ccccc23)c1C#N 1875349540 BDDJKBHHBGGQKC-UHFFFAOYSA-N 322.372 2.157 50 50 DEGA C[C@@H](Cl)C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 1875366797 BMNSVPRKYMVREZ-SSDOTTSWSA-N 309.719 2.482 50 50 DEGA O=C(COc1cccc2cccnc12)NNC(=O)c1ccccc1 4811229 PTIDCDOAXCKUPV-UHFFFAOYSA-N 321.336 2.075 50 50 DEGA O=C(N/N=C/c1ccccc1O)c1cccc(N2CCCC2=O)c1 290893 LFJZMFOESIHPLE-XDHOZWIPSA-N 323.352 2.283 50 50 DEGA Cc1ccc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)NN)C2(C)C)cc1 446655 RYMGRESMCKIYDL-GUYCJALGSA-N 303.406 2.366 50 50 DEGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccc1Cl 2566416 KWANQVOFSREBQE-RQZCQDPDSA-N 317.732 2.134 50 50 DEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccc(OC)c1 57509095 KRLOALFZTVKCGF-ZDUSSCGKSA-N 324.764 2.105 50 50 DEGA O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21 59971532 QQGYZOYWNCKGEK-UHFFFAOYSA-N 310.217 2.100 50 50 DEGA in-vitro COC(=O)c1cc(Br)cc(NC(=O)CCl)c1O 218898065 SMXXETVVWWVKLW-UHFFFAOYSA-N 322.542 2.119 50 50 DEGA CN(C)c1ccc(C(=O)NNC(=O)Nc2ccc(F)cc2)cc1 2167778 SAWYPWMGJYZROG-UHFFFAOYSA-N 316.336 2.358 50 50 DEGA C[C@H]1CCc2ccccc2N1C(=O)CCNC(=O)[C@@H](C)Cl 1875376403 VXLFKFULWRXWQZ-NWDGAFQWSA-N 308.809 2.488 50 50 DEGA Cc1csc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)Cl)C2)n1 1875363783 AAWNHLJNOJSEOZ-UWVGGRQHSA-N 315.826 2.256 50 50 DEGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 47864 UKXIFOICXHRQJJ-ZDUSSCGKSA-N 316.263 2.445 50 50 DEGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1O 69973 AVZJRMRPVMBAIL-OAHLLOKOSA-N 312.325 2.216 50 50 DEGA COc1cc(/C=N\NC(=O)c2ccc(N(C)C)cc2)ccc1O 35474571 ZDMGXFPXLSOUIR-WQRHYEAKSA-N 313.357 2.231 50 50 DEGA O=C(CCC1CCCCC1)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 5830071 NKXONQFCSQWYPW-UONOGXRCSA-N 322.405 2.161 50 50 DEGA CCCC(=O)NNC(=S)Nc1cc(Cl)ccc1OC 6397401 SHEAJEBINSESRI-UHFFFAOYSA-N 301.799 2.466 50 50 DEGA COc1ccccc1/C=N/NC(=O)[C@H](C)n1nnc2ccccc21 124489 MDDPFLBXAHESPJ-HWQJWEFDSA-N 323.356 2.151 50 50 DEGA C[Si](C)(O)c1ccc(Oc2ccc([Si](C)(C)O)cc2)cc1 169954631 VZSUUFCWNGDTIE-UHFFFAOYSA-N 318.521 2.288 50 50 DEGA C[C@H](Cl)C(=O)N[C@H](CC1CCCCC1)[C@@H]1COCCO1 1875377734 MHHQEFWBRYKVIQ-YUTCNCBUSA-N 303.830 2.484 50 50 DEGA Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)[C@H](C)Cl)C2)n1 1875363784 AAWNHLJNOJSEOZ-VHSXEESVSA-N 315.826 2.256 50 50 DEGA O=C(N[C@@H](O)C(Cl)Cl)c1ccc(Br)cc1 374212 DPJHWEUMLQHQKD-VIFPVBQESA-N 312.978 2.301 50 50 DEGA COC(=O)N[C@H]1[C@@H](I)[C@H](C)C=C[C@H]1C 1721861 UHBCANGCONBFBD-LURQLKTLSA-N 309.147 2.357 50 50 DEGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 2561529 RPHCQXSVBWICGY-XXFAHNHDSA-N 324.336 2.476 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1F 206341 ZWSMDOFJXULWNE-AWEZNQCLSA-N 302.305 2.470 50 50 DEGA O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1cccs1 2896676 XNNDSAKJKQXNJR-OSVAPHAJSA-N 313.382 2.028 50 50 DEGA COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O 55028107 OXSAGPQYRIRXKQ-SXGWCWSVSA-N 315.285 2.073 50 50 DEGA N[C@H](O)c1ccccc1P(c1ccccc1)c1ccccc1 101650854 PUGKRXRRXYUOPD-LJQANCHMSA-N 307.333 2.394 50 50 DEGA CN(Cc1ccccc1)C1(CNC(=O)CCl)CCOCC1 1333535158 MMOAJRGACXBUNR-UHFFFAOYSA-N 310.825 2.023 50 50 DEGA NNC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 1772491481 JEDHXDYXURWAAE-UHFFFAOYSA-N 303.749 2.125 50 50 DEGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1cccc(O)c1 2912503 XXWVLFPBFHBWQI-JTWRYOSZSA-N 301.258 2.322 50 50 DEGA C=CCNC(=S)NNC(=O)c1ccc2[nH]c(C)c(C)c2c1 169981676 XZQBHIBXTPCUCS-UHFFFAOYSA-N 302.403 2.080 50 50 DEGA O=C(NNC(=O)C1(C(F)F)CCCC1)c1cccc(Cl)n1 585128356 ZEGKWJBGXMQWHH-UHFFFAOYSA-N 317.723 2.322 50 50 DEGA O=C(CCNC(=O)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1 459967 GTMTZOHGAIOMMY-UHFFFAOYSA-N 314.297 2.320 50 50 DEGA COC(=O)[C@H]1C(=O)NC(SC)=C(C#N)[C@H]1c1ccc(C)cc1 9110700 SBXDJAQTUHAQLO-CHWSQXEVSA-N 316.382 2.096 50 50 DEGA COCc1[nH]nc2c1[C@H](c1c(F)cccc1F)C(C#N)=C(N)O2 67629446 LXMBIFJXUGDGDW-NSHDSACASA-N 318.283 2.052 50 50 DEGA COc1ccc(C(=O)N/N=C(\C)c2ccc(N)cc2)cc1OC 4534452 WRDIIEGQUAQUEP-YBFXNURJSA-N 313.357 2.440 50 50 DEGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)cc(O)c32)cc1 3127910 KPOQBWVXZRLHOC-OAHLLOKOSA-N 310.309 2.325 50 50 DEGA O=C(Cn1nnc2ccccc21)N/N=C/C=C/c1ccccc1 1740396 BHWQEGFXPFAJBZ-PXYULHTISA-N 305.341 2.247 50 50 DEGA NNC(=O)c1ccc(COc2cccc(C(F)(F)F)c2)o1 2568598 GICGWAOVOPWWLN-UHFFFAOYSA-N 300.236 2.481 50 50 DEGA CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 6401342 VKMBBRDSSOQGFG-NSHDSACASA-N 309.435 2.093 50 50 DEGA OB(O)c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1 169745927 RCOAUYBPVRIYBG-UHFFFAOYSA-N 314.153 2.372 50 50 DEGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1 2553710 OAZBPMVCLMDDSB-CPNJWEJPSA-N 323.352 2.340 50 50 DEGA Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1O 435975 ZGYTXQNJBNXQPJ-UHFFFAOYSA-N 304.733 2.429 50 50 DEGA aggregator COC(=O)N1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 216340691 RUAPYDZHXLSHCZ-NARRSNEXSA-N 312.989 2.126 50 50 DEGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccoc1 370884 AYFJDEMLJMVMKP-XBLUXWHVSA-N 303.274 2.105 50 50 DEGA Cc1ccc([C@H](NC(=O)[C@H](C)Cl)[C@@H](C)S(C)(=O)=O)cc1 1875379962 AMQCVMKARREHRE-DMDPSCGWSA-N 317.838 2.213 50 50 DEGA O=C(NN(C(=O)C1CC1)c1nc2ccccc2s1)C1CC1 127777 DZOKGMPKKZAOMT-UHFFFAOYSA-N 301.371 2.481 50 50 DEGA Cc1nc(SCc2ccc(C(=O)NN)cc2)nc(C)c1C 86645634 MTETUPOYQYNGCT-UHFFFAOYSA-N 302.403 2.298 50 50 DEGA O=C(Cn1c(=O)sc2ccccc21)OC(CCl)CCl 300815 YYAWMSJGZIYONG-UHFFFAOYSA-N 320.197 2.452 50 50 DEGA COc1cc2c(cc1OC)C(=O)[C@@H](I)C2 6793366 FFPBZHZUMSOFEK-QMMMGPOBSA-N 318.110 2.246 50 50 DEGA C=CCNC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 8671205 KWUPJFIZPANURP-UHFFFAOYSA-N 307.419 2.016 50 50 DEGA COc1ccc(CNC(=O)[C@H](C)Br)c(OC)c1 234860361 SBWKZKSPPCDPRY-QMMMGPOBSA-N 302.168 2.103 50 50 DEGA C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)CCl)C1=O 1875375254 WKQBNPUQPQCHQI-GWCFXTLKSA-N 312.772 2.233 50 50 DEGA C[C@@H](Cl)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 1875363570 JTXZHGZLROBVLG-GFCCVEGCSA-N 304.777 2.140 50 50 DEGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccccc1Cl 4283582 DKAAKLGGDYGLNK-RQZCQDPDSA-N 317.732 2.134 50 50 DEGA O=P(CCN1CCOCC1)(c1ccccc1)c1ccccc1 66627 KYDKEYKWARMFBJ-UHFFFAOYSA-N 315.353 2.333 50 50 DEGA COCCn1cc(-c2ccc(S(=O)(=O)CCl)cc2)cn1 585133953 IJUMNQVXDHLIMG-UHFFFAOYSA-N 314.794 2.167 50 50 DEGA O=C(Cn1nnc2ccccc21)N/N=C/c1cccc(Cl)c1 228858 HPMQSRKNUSNLFK-RQZCQDPDSA-N 313.748 2.235 50 50 DEGA C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 2575523 SUHFNHHZORGDFI-VIFPVBQESA-N 310.306 2.413 50 50 DEGA in-vitro N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 81445 ZXVCWIJPEYMWAJ-OAHLLOKOSA-N 308.297 2.395 50 50 DEGA COc1ccc(CC(=O)NNC(=O)c2cccc(Cl)c2)cc1 299284 YHPCRZVUCUPOTI-UHFFFAOYSA-N 318.760 2.352 50 50 DEGA O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 299156 XKTIVMHVBMSGFF-UHFFFAOYSA-N 319.704 2.323 50 50 DEGA O=C(N/N=C/c1ccncc1)C(=O)Nc1cccc2ccccc12 4287329 YQGNRQZIVCCKSE-UDWIEESQSA-N 318.336 2.324 50 50 DEGA Nc1cccc(P(=O)(c2cccc(N)c2)c2cccc(N)c2)c1 44459928 BPKSEVADQCRIBR-UHFFFAOYSA-N 323.336 2.073 50 50 DEGA O=C(CCl)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 1320465387 HSGDTRHQWXDAMM-SECBINFHSA-N 320.698 2.166 50 50 DEGA CC(=O)c1ccc(NC(=O)CI)cc1 5613535 JMHLGEVVEZBSSK-UHFFFAOYSA-N 303.099 2.263 50 50 DEGA C/C(=N\NC(=O)C(=O)N/N=C(\C)c1ccccc1)c1ccccc1 5368779 WZTXYSAPKCVHNM-IWGRKNQJSA-N 322.368 2.067 50 50 DEGA C[C@H](Cl)C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 1875363800 AKAUNDRZKNRTTP-LBPRGKRZSA-N 308.809 2.377 50 50 DEGA O=C(NNC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 255864 DSZRKHFFUHNQNB-UHFFFAOYSA-N 319.704 2.323 50 50 DEGA COCc1[nH]nc2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 4453353 OSKDFQDSWMKPLL-LBPRGKRZSA-N 316.748 2.428 50 50 DEGA O=C(CCC1CCCCC1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 373081 UVPOIFBNAFDZTH-UONOGXRCSA-N 324.421 2.385 50 50 DEGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 492507 RPVYTFVCUFUALO-CQSZACIVSA-N 310.309 2.175 50 50 DEGA Cc1cc(OCC(=O)NN)c(C(C)C)cc1Br 150391 VHINUCCSGNBBSZ-UHFFFAOYSA-N 301.184 2.250 50 50 DEGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1C 241535 GFEQSJGGJOLFAJ-OAHLLOKOSA-N 324.336 2.483 50 50 DEGA COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1O 223271 OVUNCJOMNZDMDI-VXLYETTFSA-N 313.357 2.271 50 50 DEGA CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2892300 IFNOMCWIWHTJNM-FRKPEAEDSA-N 316.188 2.358 50 50 DEGA O=C(CC1CCN(C(=O)[C@H](F)Cl)CC1)NC1CCCC1 2325898227 XRZWTCDMVISEON-ZDUSSCGKSA-N 304.793 2.208 50 50 DEGA Cn1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)ccc1=O 195723 OFWVGNHJKZCEHU-REZTVBANSA-N 324.167 2.456 50 50 DEGA CC(C)(C)OC(=O)CCOCCI 1776031977 QHEWEVSSGBFOKV-UHFFFAOYSA-N 300.136 2.170 50 50 DEGA O=C1Nc2ccccc2/C1=N\NC(=O)[C@H]1C[C@H]1c1ccccc1 4949272 KBKWITSMDOTAJX-KBPBESRZSA-N 305.337 2.263 50 50 DEGA CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H](C)Cl)n1 1875364601 XLMZAXBQSPDWDH-ZJUUUORDSA-N 303.790 2.389 50 50 DEGA CCOC(=O)C1CCN(c2ccc(C=C(C#N)C#N)cn2)CC1 20388674 NAGKKTHESZELNH-UHFFFAOYSA-N 310.357 2.292 50 50 DEGA Cc1nn(CCC(=O)N/N=C/c2ccncc2)c(C)c1Cl 2783927 WXOFPXKSVWBJQI-RQZCQDPDSA-N 305.769 2.089 50 50 DEGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cccnc1 436786 MFTXEDAEWWNLCV-REZTVBANSA-N 303.705 2.228 50 50 DEGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1ccncc1 54210 QGYPAKRCPHFUJI-ZDUSSCGKSA-N 316.324 2.085 50 50 DEGA O=C(NNC(=O)c1ccccc1C(=O)O)c1ccccc1Cl 46154 OVLNEENYZDWPRZ-UHFFFAOYSA-N 318.716 2.113 50 50 DEGA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1CC[C@H](Cl)[C@H]2CC1 101046668 ZVKXEVYHEFWFRT-RWMBFGLXSA-N 305.765 2.078 50 50 DEGA Cc1ccc(OCC(=O)NNC(=O)c2cccc(F)c2)c(C)c1 444778 WOQIOUNIROKUAB-UHFFFAOYSA-N 316.332 2.283 50 50 DEGA O=[N+]([O-])c1ccc([C@@H]2OC(C(Cl)Cl)=N[C@@H]2CO)cc1 101356747 OMGSBIRFRRMXTD-BDAKNGLRSA-N 305.117 2.229 50 50 DEGA COc1cccc(OC)c1C(=O)NNC(=O)c1cccc(C)c1 446366 HEWAMXFHVPKDBP-UHFFFAOYSA-N 314.341 2.087 50 50 DEGA O=C(O)c1ccccc1C(=O)NNc1ccccc1[N+](=O)[O-] 4616545 DGZLWKQOTNAAOI-UHFFFAOYSA-N 301.258 2.050 50 50 DEGA O=C(NCCc1ccccn1)[C@]12CCC[C@H]1[C@@H]2Br 585121731 XMZKOQAMHSEBDN-SGMGOOAPSA-N 309.207 2.304 50 50 DEGA CCn1nc(C)c(/C=N\NC(=O)c2cccc(OC)c2)c1C 13111716 YPMYAACWUFNTEB-YVLHZVERSA-N 300.362 2.292 50 50 DEGA Cc1cccc([C@H]2C[C@H]2C(=O)NNc2c(C#N)c(C)nn2C)c1 1875344264 ACEWMZFEQGLOBR-ZIAGYGMSSA-N 309.373 2.155 50 50 DEGA CC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2F)c1 611300 JJBJWGDHGIFHCK-UHFFFAOYSA-N 315.304 2.495 50 50 DEGA COc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2)cc1O 32593025 FFVDOLVOUUJERU-GRSHGNNSSA-N 313.357 2.271 50 50 DEGA C[C@]12C[C@H](Br)[C@@H](Br)C[C@]1(C)C(=O)N2 254738016 ZEUFWIIXHNVBQQ-ITFKJWCVSA-N 311.017 2.202 50 50 DEGA Cc1cccc(-n2cnc(C(=O)N/N=C/c3ccccc3)c2)n1 1402747 KTNRBZNVLVIZBR-VXLYETTFSA-N 305.341 2.340 50 50 DEGA O=C(NNc1ccc([N+](=O)[O-])cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 13133561 QQICBDDTOCDQPL-FOSCPWQOSA-N 317.345 2.433 50 50 DEGA O=C(CCl)N[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 1875369169 XFNYBRBBQKVSFG-OAHLLOKOSA-N 322.836 2.165 50 50 DEGA Cc1ccc([C@H](NC(=O)[C@H](C)Cl)[C@H](C)S(C)(=O)=O)cc1 1875379963 AMQCVMKARREHRE-GMXVVIOVSA-N 317.838 2.213 50 50 DEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@H]3CC=CCC3)[C@@H]2C1 106230699 DQFDQQWZTQYENU-IAOVAPTHSA-N 319.412 2.230 50 50 DEGA C[C@H](Cl)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 1875363571 JTXZHGZLROBVLG-LBPRGKRZSA-N 304.777 2.140 50 50 DEGA COc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(C)=O 232466 FEYQWACFTLBDSO-CXUHLZMHSA-N 318.354 2.446 50 50 DEGA O=C(CC1(O)CCCCC1)N/N=C/c1cccc([N+](=O)[O-])c1 4480058 UROUMWQGZPTXFW-LFIBNONCSA-N 305.334 2.130 50 50 DEGA COc1ccccc1/C=N/NC(=O)Cn1cnc2ccccc21 5586922 YCRDOGYYBZOVMV-VXLYETTFSA-N 308.341 2.195 50 50 DEGA Cc1cc(C)c(C(=O)O)cc1/C=N/NC(=O)c1ccc(O)cc1 1875264370 AXVZXWKCBUDUJN-GIJQJNRQSA-N 312.325 2.471 50 50 DEGA C=CCn1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1 67604644 PNNCBTMEPAMYDZ-LBPRGKRZSA-N 324.388 2.308 50 50 DEGA C[C@@H](Cl)C(=O)NCCC(=O)N1c2ccccc2CC[C@H]1C 1875376405 VXLFKFULWRXWQZ-VXGBXAGGSA-N 308.809 2.488 50 50 DEGA COc1ccc(C2=NO[C@@H](CNC(=O)[C@H](C)Cl)C2)cc1F 1875376314 SEPISJFMBHULNU-WCBMZHEXSA-N 314.744 2.071 50 50 DEGA C[C@H](O)CC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 2854925 ZYONPQBATPRQSK-LURJTMIESA-N 322.217 2.082 50 50 DEGA CC1(C)CC(=O)C/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1 100315831 KQIJIKRYDPDOEE-WJDWOHSUSA-N 303.318 2.460 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@H]2CSCC=C12 19773162 ASBDKQZMUHPGDY-LSDHHAIUSA-N 319.393 2.238 50 50 DEGA Cc1cc(C)cc(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)c1 8182144 ISKSJRZXPGQQSA-UHFFFAOYSA-N 323.352 2.155 50 50 DEGA CCOC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1[N+](=O)[O-] 4839426 DSXAYRSKYQCSCC-YHYXMXQVSA-N 306.274 2.082 50 50 DEGA CNc1c([N+](=O)[O-])cnc(N/C=C/C=C/C=C(C#N)C#N)c1C#N 22147202 DQGKHHONVZBJAW-WJPDYIDTSA-N 321.300 2.359 50 50 DEGA O=C(NCc1nccs1)[C@]12CCC[C@H]1[C@@H]2Br 585121574 SOGQVLAXFHEWQI-OVYXKVPISA-N 301.209 2.323 50 50 DEGA COc1ccc(O)c(/C=N/NC(=O)COc2ccc(F)cc2)c1 438258 NIGPXSLLKJPACT-GIJQJNRQSA-N 318.304 2.069 50 50 DEGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccncc2)c1 1960224 LDJNGDJDNJTSLL-XDHOZWIPSA-N 310.357 2.259 50 50 DEGA COc1cccc(OC(=O)NC(=O)CCBr)c1 2973391 ZKYMCTAKAUKNIS-UHFFFAOYSA-N 302.124 2.095 50 50 DEGA O=CNNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 585087603 QXQZFHMPMQSQHS-UHFFFAOYSA-N 300.280 2.294 50 50 DEGA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@H](C)Cl)C1 1875366362 DACFTEMWDSXDAG-CMPLNLGQSA-N 315.870 2.359 50 50 DEGA C[C@@H](CC(=O)NCCSSCCC(=O)O)[C@@H]1CCCO1 1875388448 BIEZGLRVTMIDNB-QWRGUYRKSA-N 321.464 2.164 50 50 DEGA O=C(CCc1ccc(O)cc1)NN=Cc1ccc2c(c1)OCO2 254134730 NRGKBSPQRRPUSV-UHFFFAOYSA-N 312.325 2.204 50 50 DEGA C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 170593874 WSDHDWCFJUJCLQ-MEPBHOGMSA-N 324.446 2.216 50 50 DEGA CCOc1cc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)ccc1O 8569195 HLXRXMGHKNYRKP-AWQFTUOYSA-N 324.340 2.431 50 50 DEGA O=C(Cn1c(=O)sc2ccccc21)OCCBr 5739991 ABWANUSUPGFFML-UHFFFAOYSA-N 316.176 2.001 50 50 DEGA C[C@H]1OCC[C@H]1C(=O)N/N=C/c1cn(CCC#N)c2ccccc12 2325754772 WAEGFZFWCCSLOS-WBKJHAHVSA-N 324.384 2.430 50 50 DEGA O=C(CCC1(O)CCCC1)N/N=C/c1cccc([N+](=O)[O-])c1 22017326 SOMHPKCUHCVTGT-LFIBNONCSA-N 305.334 2.130 50 50 DEGA C[n+]1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 5677361 SJLUSMYPTLDODI-UHFFFAOYSA-O 306.345 2.134 50 50 DEGA COc1cccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)c1O 432856 WMSDGTHSIJSRHS-WOJGMQOQSA-N 313.357 2.231 50 50 DEGA CCCN1CCC(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 5020808 JIPVDUIBDJLGPY-UHFFFAOYSA-N 318.377 2.115 50 50 DEGA Cc1nc(CN2CCC(CNC(=O)[C@H](C)Cl)CC2)oc1C 1875364716 RNZQVPPGFNPUJK-JTQLQIEISA-N 313.829 2.247 50 50 DEGA CC1=C(C#N)[C@](Nc2nnc(C)s2)(C(F)(F)F)C(O)=N1 40267110 OTZMSAZGVATPMD-SECBINFHSA-N 303.269 2.327 50 50 DEGA Cc1cc(C)nc(SCC(=NNC(N)=O)c2ccccc2)n1 252678012 CIBZLLBVYXADCM-UHFFFAOYSA-N 315.402 2.258 50 50 DEGA C[C@@H](CC(=O)NCCSSCCC(=O)O)[C@H]1CCCO1 1875388449 BIEZGLRVTMIDNB-WDEREUQCSA-N 321.464 2.164 50 50 DEGA Cc1cc(/C=C(\C#N)C(N)=S)c(C)c(CN2CCOCC2)c1 20472887 SMUMUBZHLUWVMZ-OQLLNIDSSA-N 315.442 2.329 50 50 DEGA O=C(N/N=C/c1cccc2c1OCCCO2)c1cccc(O)c1 170640908 XLUDDFBKIKBDRE-WOJGMQOQSA-N 312.325 2.317 50 50 DEGA O=C(NNc1ccccn1)c1nc(C2CC2)n(-c2ccccc2)n1 1319870552 LVXJSYXDRLLQPM-UHFFFAOYSA-N 320.356 2.297 50 50 DEGA Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H](C)Cl)C2)n1 1875363782 AAWNHLJNOJSEOZ-NXEZZACHSA-N 315.826 2.256 50 50 DEGA N#C/C(=C\c1ccccc1Cl)c1nn(CCO)c(N)c1C#N 4322803 VHRFZDZBRVUVSV-YRNVUSSQSA-N 313.748 2.047 50 50 DEGA O=C(COc1ccccc1Cl)NNC(=O)c1ccc(F)cc1 435923 HYVXFCQYXSNFTK-UHFFFAOYSA-N 322.723 2.319 50 50 DEGA COc1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccc(C)cc32)cc1 47398 QEYXHIZBBXFVOM-MNDPQUGUSA-N 323.352 2.114 50 50 DEGA C/C(=N\OCC(=O)N/N=C/c1ccccc1O)c1cccs1 5005340 CUIDBMJCPYRULP-QHWSFBBFSA-N 317.370 2.345 50 50 DEGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1O 2941845 GDJKBXUMODJKPF-BJIYECEJSA-N 301.258 2.322 50 50 DEGA Cn1cccc1CC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 55974 MHKYAIWHNDLPMK-CXUHLZMHSA-N 320.736 2.280 50 50 DEGA O=S(=O)(CBr)N1CCC[C@H]1Cc1ccccc1 126674984 VJLNXDGVMQEIAK-LBPRGKRZSA-N 318.236 2.376 50 50 DEGA Cc1nn(C)c(C(=O)N/N=C/c2ccccc2)c1Br 371067 OOEITSGEGCLXFO-OVCLIPMQSA-N 321.178 2.255 50 50 DEGA O=C(Cn1nc2ccccc2n1)N/N=C/c1ccccc1Cl 434225 BLGDQEZWBSMNPT-RQZCQDPDSA-N 313.748 2.235 50 50 DEGA COc1cc(/C=C2/C(=O)ON=C2CCl)cc(OC)c1OC 34926732 WCZKZWNDBBGXNZ-RUDMXATFSA-N 311.721 2.247 50 50 DEGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(O)c(O)c1 43761348 BFVUAEYYUVHKSY-DJKKODMXSA-N 309.325 2.272 50 50 DEGA O=C(NNC(=O)c1ccco1)c1cccc(Br)c1 299350 AMWWTYVIFGKSPZ-UHFFFAOYSA-N 309.119 2.117 50 50 DEGA COc1cc(C(=O)NC2=C(C#N)CCC2)cc(OC)c1OC 4717167 NFJATROCONZQDE-UHFFFAOYSA-N 302.330 2.404 50 50 DEGA CC/C(C)=N/NC(=O)c1c(O)c2ccccc2n(CC)c1=O 100731841 GBHMGINDFXFSIN-LICLKQGHSA-N 301.346 2.243 50 50 DEGA C/C(=N\NC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 585145973 XPRALKMOJCILBA-WOJGMQOQSA-N 303.362 2.424 50 50 DEGA COc1ccccc1/C=N/NC(=O)[C@@H](C)n1nnc2ccccc21 124492 MDDPFLBXAHESPJ-MBNTZHJCSA-N 323.356 2.151 50 50 DEGA CNc1c([N+](=O)[O-])cnc(N/C=C/C=C\C=C(C#N)C#N)c1C#N 33411300 DQGKHHONVZBJAW-MGLVMYNNSA-N 321.300 2.359 50 50 DEGA CN(NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 749402996 WCDQWMSEVHDCBI-QGZVFWFLSA-N 324.428 2.461 50 50 DEGA CCN(CCO)NC(=O)Nc1ccc(F)cc1C(F)(F)F 585120000 FQUPBCWBPNJJGT-UHFFFAOYSA-N 309.263 2.195 50 50 DEGA Cn1cccc1CC(=O)N/N=C/c1ccccc1Br 230836 YHYIBDVHDGDRJK-MHWRWJLKSA-N 320.190 2.480 50 50 DEGA COC/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(F)c(F)c1 222125975 MUALKOFPQZAEGO-XDJHFCHBSA-N 320.295 2.451 50 50 DEGA C/C(=N\NC(=O)Cc1cccn1C)c1cccc([N+](=O)[O-])c1 12561114 XQONUYONOFYBQO-LFIBNONCSA-N 300.318 2.016 50 50 DEGA O=C(N/N=C/c1cccnc1)c1cc(Br)ccc1O 40897 XZJWMMVOHMNBGQ-LZYBPNLTSA-N 320.146 2.314 50 50 DEGA CC(C)(C)OC(=O)NNC(=S)Nc1ccc2c(c1)OCO2 2857943 RKAQAIGLVPWJKB-UHFFFAOYSA-N 311.363 2.141 50 50 DEGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(O)cc1 5318820 ZZBXSWSHQYGVOA-VCHYOVAHSA-N 308.341 2.201 50 50 DEGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1 2571760 YIOYQBCDWHNDGX-CPNJWEJPSA-N 323.352 2.340 50 50 DEGA COc1cccc(CCCCNCCSS(=O)(=O)O)c1 31570152 AZQFTMQJWDIQNZ-UHFFFAOYSA-N 319.448 2.144 50 50 DEGA Cn1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 354737 BUAMUNOZIHWHOF-HDZGYNCQSA-N 307.353 2.362 50 50 DEGA N#C/C(=C\c1ccc(Cl)cc1)c1nn(CCO)c(N)c1C#N 4322799 DBYXNUUXTMXKIT-YRNVUSSQSA-N 313.748 2.047 50 50 DEGA CC1(C)CC(=O)C=C(NNC(=O)c2cccc([N+](=O)[O-])c2)C1 3899025 ZPLVHMCLVKWNIV-UHFFFAOYSA-N 303.318 2.102 50 50 DEGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccncc1 2156068 DICMLKUFIHYPHA-UHFFFAOYSA-N 320.736 2.210 50 50 DEGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccccn2)[nH]n1 264575 RQQPRBQUAPOSCF-YBFXNURJSA-N 321.340 2.244 50 50 DEGA Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)nc(C)n1 128809277 KEOWSQJVMODSPY-UONOGXRCSA-N 300.337 2.479 50 50 DEGA COc1ccc(OCC(=O)N/N=C(\C)c2ccccc2O)cc1 5816604 XHGGHLGYJRLOOV-LDADJPATSA-N 314.341 2.320 50 50 DEGA COc1cccc(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)c1 2553480 SECKORNUXMIDOD-YKIVCEQRSA-N 323.352 2.449 50 50 DEGA N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@H]1c1cccc(O)c1 5042264 QBVXFQDCEQMNRT-VIFPVBQESA-N 322.246 2.352 50 50 DEGA CCOc1ccc(/C=N/NC(=O)c2c(Cl)cnn2C)cc1 2763159 ICOAXPRNZWTEGB-LZYBPNLTSA-N 306.753 2.236 50 50 DEGA COC(=O)N/N=C(/C)c1ccc(NC(=O)C(F)(F)F)cc1 5021130 ULEMDJAEECAXBI-IDUWFGFVSA-N 303.240 2.267 50 50 DEGA COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 436071 FVWYFFOWHVAVFY-UHFFFAOYSA-N 318.760 2.352 50 50 DEGA N#CC1=C(N)[C@](C#N)(c2cccnc2)[C@H](C#N)[C@H]2CCCC=C12 19827357 FTMSZMYDZCTLFS-YXJHDRRASA-N 301.353 2.459 50 50 DEGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1[N+](=O)[O-] 228780 CVPVTYJPTQCEBK-GIJQJNRQSA-N 323.312 2.095 50 50 DEGA CC1(C)OB(c2ccc3c(c2)CCN3C(=O)CCl)OC1(C)C 230538724 TVTLAYXFGXXDAT-UHFFFAOYSA-N 321.613 2.114 50 50 DEGA C/C(CC(=O)Nc1cccc(C)n1)=N\NC(=O)c1ccco1 4477925 GLUIANSIUNDUOK-WOJGMQOQSA-N 300.318 2.118 50 50 DEGA COC(=O)[C@@H]1c2ccccc2C2(CC2)CN1C(=O)[C@@H](C)Cl 1875368058 MSEFSQPEPIDROC-MFKMUULPSA-N 307.777 2.402 50 50 DEGA COC(=O)NNC(=S)Nc1ccc(Br)cc1 13519888 FVAWDQADUKXFRJ-UHFFFAOYSA-N 304.169 2.007 50 50 DEGA Cc1nc2cc(C(=O)NNC(=O)OC(C)(C)C)ccc2n1C 158920304 PYIDNMOHRPZNPT-UHFFFAOYSA-N 304.350 2.051 50 50 DEGA O=C(CCl)NC1CCN(Cc2c[nH]c3ccccc23)CC1 1875379771 WJXSTCNCDBWABK-UHFFFAOYSA-N 305.809 2.487 50 50 DEGA C[C@@H](NC(=O)CCl)c1cc(F)ccc1N1CCC(O)CC1 1116439297 TYAXMZUPGCXPPN-SNVBAGLBSA-N 314.788 2.203 50 50 DEGA COC1(C(=O)NCCSSCCC(=O)O)CCCCC1 1875388897 UTILNQAFLFAXIL-UHFFFAOYSA-N 321.464 2.308 50 50 DEGA CC(C)(C)c1ccc(C(=O)NNC(=O)CCCC(=O)O)cc1 2805931 YKAOUNXKLNOWQT-UHFFFAOYSA-N 306.362 2.000 50 50 DEGA CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1O 37271 XHMLYTQNUVOFLO-LICLKQGHSA-N 300.314 2.260 50 50 DEGA C[C@@H](Cl)C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 1875363799 AKAUNDRZKNRTTP-GFCCVEGCSA-N 308.809 2.377 50 50 DEGA CCCN1CCC(=NNC(=O)Cc2ccc(OC)cc2)CC1 5008290 YSSIVKPYLQCMMQ-UHFFFAOYSA-N 303.406 2.216 50 50 DEGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(F)cc2)n[nH]1 54072 KCVHHKRYPXNKPW-VXLYETTFSA-N 309.304 2.375 50 50 DEGA COc1cccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)c1O 181530 BRWGXEMYEJDRTC-LZYBPNLTSA-N 302.334 2.011 50 50 DEGA O=C(COc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1 282408 YDGNFOXNIDLZSW-RIYZIHGNSA-N 305.315 2.185 50 50 DEGA CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)CCl)cc1 952963240 DWIMMJTYDDBEDY-OLZOCXBDSA-N 308.809 2.474 50 50 DEGA CCOc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 233667 FZPNEFZJWMCWOL-VCHYOVAHSA-N 316.386 2.118 50 50 DEGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cc1 4230095 UTVDHYWJLBMDAL-RQZCQDPDSA-N 317.732 2.134 50 50 DEGA COc1ccc(C(=O)N/N=C/c2ccccc2O)cc1OC 177518 IUZICNAUDLYQBA-LICLKQGHSA-N 300.314 2.173 50 50 DEGA Cc1ccc(NCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1 4982144 MUHBZXWIFFRFDF-PXNMLYILSA-N 302.290 2.058 50 50 DEGA O=C(N/N=C/c1ccc(F)cc1)[C@@H]1COc2ccccc2O1 291017 YQUFSDRQOZKGHK-UPAIAECRSA-N 300.289 2.116 50 50 DEGA COCc1[nH]nc2c1[C@@H](c1c(F)cccc1F)C(C#N)=C(N)O2 67629443 LXMBIFJXUGDGDW-LLVKDONJSA-N 318.283 2.052 50 50 DEGA COc1ccc(C(=O)N/N=C(/C)c2cccc(N)c2)cc1OC 294464 UHLPONJBGTXUQD-ODLFYWEKSA-N 313.357 2.440 50 50 DEGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccoc1 370882 AYFJDEMLJMVMKP-CYANDVJASA-N 303.274 2.105 50 50 DEGA COc1cc(OC)c(OC)cc1/C=C1/C(=O)ON=C1CCl 34926731 LKEYWXPZFSKGMJ-RUDMXATFSA-N 311.721 2.247 50 50 DEGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1 4260825 IXKONPXKAKJQFQ-GIJQJNRQSA-N 316.288 2.053 50 50 DEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1ccccc1[N+](=O)[O-] 5061765 LWINBMIAFYUIEI-SXGWCWSVSA-N 315.333 2.018 50 50 DEGA COc1ccccc1C(=O)NNC(=O)C1CCC(Cl)CC1 1350674252 PGOLXTZBEYFWKK-UHFFFAOYSA-N 310.781 2.254 50 50 DEGA N#C/C(=C\c1ccc(C(=O)O)c(O)c1)C(=O)NC1CCCC1 952993488 YHFBBNCSHVXYFF-YRNVUSSQSA-N 300.314 2.056 50 50 DEGA C[C@@H](Cn1cc(Br)cn1)C(=O)NC1=C(C#N)CCC1 6521358 KSMNXHHSUZTZMZ-VIFPVBQESA-N 323.194 2.359 50 50 DEGA CC1(C)OB(c2cccc(NC(=O)NCCCl)c2)OC1(C)C 687752456 ATPORBAHGUBNSR-UHFFFAOYSA-N 324.617 2.346 50 50 DEGA COc1ccc(CNC(=O)[C@@H](C)Br)c(OC)c1 234859147 SBWKZKSPPCDPRY-MRVPVSSYSA-N 302.168 2.103 50 50 DEGA N#CC1(C#N)C(C#N)(C#N)C1(CBr)c1ccccc1 3121775 QLRHKMYHPUQGQV-UHFFFAOYSA-N 311.142 2.400 50 50 DEGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)nn1 547187 KYZSUUDSAOZSRO-GIDUJCDVSA-N 311.128 2.253 50 50 DEGA Cc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1 4282956 YLYTWUIOSISIPZ-VCHYOVAHSA-N 312.325 2.222 50 50 DEGA O=C(N/N=C\c1ccc[nH]1)[C@@H]1COc2cc3ccccc3cc2O1 32614476 IBOPUCMWRHFOJK-NAGKPISUSA-N 321.336 2.458 50 50 DEGA CCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 245241840 QUBGBAMKAQNKIG-OXHMUOHRSA-N 302.212 2.281 50 50 DEGA COc1cc(OC)cc([C@]2(F)CCN(C(=O)CCl)C2)c1 1875377474 FICCCMFNFRCCBL-AWEZNQCLSA-N 301.745 2.340 50 50 DEGA CCOC(=O)CNC1=C(C#N)C(=O)C[C@H](c2ccc(C)s2)C1 100783272 IZGLKEVPCLAMFH-LLVKDONJSA-N 318.398 2.433 50 50 DEGA CC(C)(C)NC(=S)NNC(=O)c1cc(F)c(F)c(F)c1F 585126147 QGPSNXRHYDEWBW-UHFFFAOYSA-N 323.315 2.150 50 50 DEGA COc1ccccc1C(=O)N/N=C1\C(=O)N(C)c2c(C)cccc21 5730761 ARRCVBLTFABEOM-CYVLTUHYSA-N 323.352 2.114 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 43655 QQJBINHJTREUDV-CQSZACIVSA-N 302.305 2.470 50 50 DEGA C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 170593872 WSDHDWCFJUJCLQ-WSOBLFMISA-N 324.446 2.216 50 50 DEGA COc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1 260013 DLQLYAZBZLRKMG-WOJGMQOQSA-N 314.341 2.233 50 50 DEGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccncc2)[nH]n1 264580 GUALAXJJBWNIEH-YBFXNURJSA-N 321.340 2.244 50 50 DEGA CCc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1 228850 FDEOEWZEMRLOQM-WOJGMQOQSA-N 307.357 2.144 50 50 DEGA Cc1cccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 356846 SVSSRBODHIHRPY-LICLKQGHSA-N 313.313 2.432 50 50 DEGA O=C(Nc1cccc(C(=O)N2CCSCC2)c1)[C@@H](F)Cl 1875328624 CGESKSLGIVBBGW-LLVKDONJSA-N 316.785 2.349 50 50 DEGA CC(C)[C@@H]1CN(CC(F)(F)F)CCN1C(=O)[C@H](C)Cl 1875365112 NNFIRORTOPUVJM-UWVGGRQHSA-N 300.752 2.345 50 50 DEGA COC(=O)[C@H](C)N(Cc1ccccc1)NC(=O)OC(C)(C)C 888084738 JUTLUOUYFKHOBY-LBPRGKRZSA-N 308.378 2.490 50 50 DEGA COc1cccc(/C=N\NC(=O)CNc2ccc(C)cc2)c1O 32603919 SEZXNVPECVUOHV-GRSHGNNSSA-N 313.357 2.271 50 50 DEGA Cc1c(C#N)cccc1C(=O)NCCSSCCC(=O)O 1875388680 LUIBEUQPUQTPSX-UHFFFAOYSA-N 324.427 2.453 50 50 DEGA CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NNC(=O)CCl)cc1 952963230 DWIMMJTYDDBEDY-CHWSQXEVSA-N 308.809 2.474 50 50 DEGA CC(C)(C)c1cc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])[nH]n1 5061423 LJISXHRAWWYLOP-SXGWCWSVSA-N 315.333 2.379 50 50 DEGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1cccc(Cl)c1 2892224 ALTHMSHXBIHQDW-RQZCQDPDSA-N 317.732 2.134 50 50 DEGA COc1cc(/C=N/NC(=O)Cc2cccs2)cc(OC)c1O 294883 PAKYHIQPRZGORR-CXUHLZMHSA-N 320.370 2.164 50 50 DEGA Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 448615 JCQBTLMCWFPJHB-DDLUMYACSA-N 321.380 2.498 50 50 DEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)Nc1ccccc1 36008093 QVGGWSNMOYBZBJ-OQLLNIDSSA-N 300.274 2.456 50 50 DEGA CCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)CC(=O)N1 278387 ZBEXENVHAQYZQQ-SNVBAGLBSA-N 304.371 2.493 50 50 DEGA COC(=O)c1cc(CNC(=O)CCl)ccc1C(F)(F)F 1875370682 YYTJSBRFPRJBTP-UHFFFAOYSA-N 309.671 2.347 50 50 DEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@@H]2C1 12292136 HIYHMXMNHKZUJR-IAGOWNOFSA-N 315.380 2.042 50 50 DEGA C[C@@H](Cl)C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 1875375779 IFFKFDXYBJVBQJ-OLZOCXBDSA-N 323.824 2.289 50 50 DEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C12C[C@H]2[C@@H]1CC(F)(F)C1(F)F 252430969 WILPAPVUDZVAGG-GWRHWDGRSA-N 316.250 2.415 50 50 DEGA OB(O)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1 169747758 PBSIVXAPTBHFFV-UHFFFAOYSA-N 314.153 2.372 50 50 DEGA in-vitro O=S(=O)(c1ccccc1)[C@H]1[C@H]2[C@H]3C[C@H]1[C@H](Br)[C@@H]23 254301778 ZNVZGURQOQNGRK-DIURFFJMSA-N 313.216 2.488 50 50 DEGA CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@H]1CNC(=O)CCl 1875370076 AXMOZPMNHUDGOK-VXGBXAGGSA-N 316.829 2.377 50 50 DEGA COc1ccc(C(=O)NNC(=O)c2cccc(C)c2)c(OC)c1 446323 IUYYDFXQCBILOD-UHFFFAOYSA-N 314.341 2.087 50 50 DEGA C/C(=N\NC(=O)c1ccccc1O)C1C(=O)c2ccccc2C1=O 100062898 GQLYDVMZCINUCC-VXLYETTFSA-N 322.320 2.193 50 50 DEGA Cc1nn(C)cc1/C=N/NC(=O)c1csc2c1CCCC2 15997825 WSVYNTLWTOWPFD-FRKPEAEDSA-N 302.403 2.433 50 50 DEGA O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 1755657 JZRPKIYYNGAYME-VXLYETTFSA-N 315.760 2.220 50 50 DEGA COc1ccc(CN(C[C@H]2CC(C)=NO2)C(=O)CCl)cc1 1875374217 FWGNHBQIWROULP-CQSZACIVSA-N 310.781 2.427 50 50 DEGA C=CCNC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2 2112831 KVDZRROCSKVDCZ-VIFPVBQESA-N 309.460 2.168 50 50 DEGA O=C(OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 95713057 XETRHNFRKCNWAJ-UHFFFAOYSA-N 310.043 2.451 50 50 DEGA in-vitro COc1cc2c(cc1OC)C(=O)[C@H](I)C2 2519658 FFPBZHZUMSOFEK-MRVPVSSYSA-N 318.110 2.246 50 50 DEGA O=C(N/N=C/c1cccc2cccnc12)[C@@H](O)c1ccccc1 435042 NIBWMFJZWJXUEV-RONKMWSCSA-N 305.337 2.419 50 50 DEGA Cc1ccc([C@H](NC(=O)[C@@H](C)Cl)[C@@H](C)S(C)(=O)=O)cc1 1875379964 AMQCVMKARREHRE-NQBHXWOUSA-N 317.838 2.213 50 50 DEGA CCN(CC)c1ccc(/C=N/NC(=O)c2cccnc2)cc1O 5568371 WKSMHAVFAFLNMR-YBFXNURJSA-N 312.373 2.397 50 50 DEGA CC(=O)N1CC[C@H](NC(=O)[C@H](C)Cl)c2ccc(F)cc2C1 1875378016 UCMIWXWXYLZNGI-XPTSAGLGSA-N 312.772 2.363 50 50 DEGA COC(=O)[C@@H]1c2ccccc2C2(CC2)CN1C(=O)[C@H](C)Cl 1875368056 MSEFSQPEPIDROC-GWCFXTLKSA-N 307.777 2.402 50 50 DEGA Cc1cc(C(=O)N/N=C/c2ccc(Br)cc2)[nH]n1 18148706 QMBZBTAHYJFDRP-VGOFMYFVSA-N 307.151 2.245 50 50 DEGA Cn1c(CN2CCSSCC2)nc2ccccc2c1=O 888093145 YXZSIJMGFAQKMW-UHFFFAOYSA-N 307.444 2.131 50 50 DEGA COc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1 5063321 OQEHKKZVQQJRJL-UHFFFAOYSA-N 316.382 2.249 50 50 DEGA C[C@@H](NS(=O)(=O)CCCCl)c1ncc(C(F)(F)F)[nH]1 1776006309 UBSSSTRXCWVMPK-ZCFIWIBFSA-N 319.736 2.038 50 50 DEGA COC(=O)c1nc([C@@H]2CCCN2C(=O)[C@@H](F)Cl)sc1C 2325898732 XROXBVMWKOTALQ-IONNQARKSA-N 320.773 2.436 50 50 DEGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1O 105623306 LDBPMLPKSFCCDS-CXUHLZMHSA-N 315.285 2.160 50 50 DEGA COC(=O)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 15685938 KFAHMOIWDZKDIB-NTEUORMPSA-N 310.309 2.290 50 50 DEGA CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)CCl)cc1 952963243 DWIMMJTYDDBEDY-STQMWFEESA-N 308.809 2.474 50 50 DEGA COc1ccc(OC)c(NC(=O)CI)c1 1757455 YZLASIUOKWQXAF-UHFFFAOYSA-N 321.114 2.077 50 50 DEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 3149753 IHASHSFBDLQDLH-OQLLNIDSSA-N 314.257 2.267 50 50 DEGA CCN(CC)C(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2892426 MJUAABVANUEMFE-LZYBPNLTSA-N 316.188 2.312 50 50 DEGA C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)CCl)C1=O 1875375256 WKQBNPUQPQCHQI-MFKMUULPSA-N 312.772 2.233 50 50 DEGA CCCN1C[C@@H](CN(CC(C)(C)C)C(=O)CCl)CC1=O 1875374167 DAYNYVAOGKPWSO-LBPRGKRZSA-N 302.846 2.358 50 50 DEGA O=C(Cc1ccccc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5515921 UYVQWWYIPBKWPM-UHFFFAOYSA-N 316.273 2.189 50 50 DEGA C[C@H](Oc1ccccc1)C(=O)NNC(=S)NC1CCCCC1 28632887 AFCNARTZGSTIMX-LBPRGKRZSA-N 321.446 2.282 50 50 DEGA CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](N=[N+]=[N-])[C@H](O)[C@@H](CO)O1 170153838 CHVQAMOISPQQTA-ZNSHCXBVSA-N 303.435 2.155 50 50 DEGA C/C(=N\NC(=O)c1cnccn1)c1ccc(Br)cc1 4531218 JOBWOZFBCJKAEJ-RQZCQDPDSA-N 319.162 2.393 50 50 DEGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccn1 123588 ZZPIVQSZUKYZOJ-REZTVBANSA-N 303.705 2.228 50 50 DEGA CCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)CC(=O)N1 278389 ZBEXENVHAQYZQQ-JTQLQIEISA-N 304.371 2.493 50 50 DEGA Nc1ccccc1C(=O)N/N=C\c1ccc(Br)o1 5016412 KRULCESOMLJEJA-CHHVJCJISA-N 308.135 2.388 50 50 DEGA CCc1[nH]nc2c1[C@@H](c1c(F)cccc1F)C(C#N)=C(N)O2 971435 MXVDRUJEYUWDLY-LLVKDONJSA-N 302.284 2.468 50 50 DEGA O=C1C=C(NNC(=O)c2ccccc2Br)CCC1 5783060 RMYAAXWDECQKMI-UHFFFAOYSA-N 309.163 2.320 50 50 DEGA O=C(N/N=C/c1cc2c([nH]1)CCCC2)c1n[nH]c2c1CCCC2 55632 QVEQTXQAVOMOKY-VCHYOVAHSA-N 311.389 2.259 50 50 DEGA Cc1cc(C)n(CC(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)n1 1875390462 XHZUJUSMWHMRPW-VPSCVEFFSA-N 300.406 2.428 50 50 DEGA CCOc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCCC2 186586 YEFWMIWMAQFWHN-WOJGMQOQSA-N 312.373 2.451 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 69967 IPJWTSJMWTZDFW-LBPRGKRZSA-N 317.326 2.471 50 50 DEGA N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@@H]1c1cccc(O)c1 5042265 QBVXFQDCEQMNRT-SECBINFHSA-N 322.246 2.352 50 50 DEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1 4347282 FVLKTOBLZDJSQP-WOJGMQOQSA-N 311.341 2.043 50 50 DEGA O=C(/C=C/NNC(=O)c1cccnc1)c1ccc(Cl)cc1 2893268 GITXMQZAVCPQAH-VQHVLOKHSA-N 301.733 2.366 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@@H]2CSCC=C12 20598203 IMBBZTCELSDFQZ-HUUCEWRRSA-N 319.393 2.238 50 50 DEGA O=C(NNC(=O)c1ccccc1C(=O)O)c1cccc(Cl)c1 95361 LFHSSCMCMHCBTA-UHFFFAOYSA-N 318.716 2.113 50 50 DEGA Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(C)on2)c1 2788592 QPNDJCINGQVNJK-UHFFFAOYSA-N 304.375 2.231 50 50 DEGA Cc1ccc([C@@H](CNC(=O)[C@H](C)Cl)N2CCOCC2)s1 1875364457 QWVFJZZIXNOTMO-NWDGAFQWSA-N 316.854 2.173 50 50 DEGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC12CCC2 22017682 YPFKBNPNIPTPJF-SECBINFHSA-N 306.278 2.136 50 50 DEGA CCN(CC)c1ncc(/C=N/NC(=O)c2ccncc2)s1 1386802 DWROXXZCHRRDAA-LICLKQGHSA-N 303.391 2.148 50 50 DEGA OB(O)c1cc(Cl)c(Cl)c(Cl)c1CBr 169747496 YFKTUNRHMJFFRC-UHFFFAOYSA-N 318.190 2.222 50 50 DEGA COc1cc(CN(C(=O)CCl)[C@H](C)CO)ccc1Cl 1875382246 VSXPJSVNQKHJAL-SECBINFHSA-N 306.189 2.297 50 50 DEGA O=C(CCc1ccccc1O)N/N=C\c1cccc([N+](=O)[O-])c1 220979012 JRRDFYOCOALMKT-BOPFTXTBSA-N 313.313 2.383 50 50 DEGA CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 250739 MYLGMEPQXTZARC-OQLLNIDSSA-N 303.274 2.350 50 50 DEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(F)cc1 57508977 XAONKDYXLOUXAO-LBPRGKRZSA-N 312.728 2.236 50 50 DEGA COc1ccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1OC 181550 SETFXHPVDDSGKH-RQZCQDPDSA-N 316.361 2.314 50 50 DEGA N#CC1=C(N)OC2=C([C@@H]1c1ccc(F)cc1)S(=O)(=O)CCC2 606422295 HEEOOQVAMQKPLZ-CYBMUJFWSA-N 320.345 2.054 50 50 DEGA CCOC(=O)c1c(N)nn(C(=O)CCl)c1-c1ccccc1 1423467 FYVNUSCCCZGQBY-UHFFFAOYSA-N 307.737 2.188 50 50 DEGA O=C(Nc1cccc(C(=O)N2CCSCC2)c1)[C@H](F)Cl 1875328625 CGESKSLGIVBBGW-NSHDSACASA-N 316.785 2.349 50 50 DEGA CC(C)OCCCC(=O)NCCSSCCC(=O)O 1875355031 XTPWMKZIOFWDJP-UHFFFAOYSA-N 309.453 2.164 50 50 DEGA Cc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2c(C)cccc21 5730798 IWZAKCKHHJBUNE-UHFFFAOYSA-N 323.352 2.155 50 50 DEGA O=C(CSc1ccccn1)N/N=C/c1ccc([N+](=O)[O-])s1 12360628 XBHDVYBPBNXQEF-VGOFMYFVSA-N 322.371 2.294 50 50 DEGA Cc1c(Br)cc(C(=O)NN)cc1Br 276769 MLHXNNZNARMLIG-UHFFFAOYSA-N 307.973 2.124 50 50 DEGA CNC(=O)CCCN(Cc1cc(C)cc(C)c1)C(=O)CCl 1875376182 OAEPYXXIGJBFCN-UHFFFAOYSA-N 310.825 2.397 50 50 DEGA COc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 299279 OWLRNVVRGZMDLH-UHFFFAOYSA-N 304.733 2.423 50 50 DEGA CC1(C)NC(C)(C)[C@@H](Br)C(=O)[C@@H]1Br 59194695 SMSQRKIBWOTIMI-BQBZGAKWSA-N 313.033 2.243 50 50 DEGA in-vitro Cc1cc(C(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)[nH]n1 32620342 BLPFHMRYVOTVPQ-MFOYZWKCSA-N 300.362 2.485 50 50 DEGA O=C(CNC(=O)c1cccs1)N/N=C/C=C/c1ccccc1 2894252 RRHVFVRHHNOLCZ-HGBXGJOCSA-N 313.382 2.293 50 50 DEGA CCN(CC)c1ccc(C=NNC(=O)Cn2ccnc2C)cc1 252677962 BSICNBWCFOIKEA-UHFFFAOYSA-N 313.405 2.188 50 50 DEGA CCn1cc(C(=O)NNc2cccc(F)n2)c(C(F)(F)F)n1 286572326 LZQVLXPHRNBBOZ-UHFFFAOYSA-N 317.246 2.213 50 50 DEGA CCCNC(=O)/C(C#N)=C\c1ccc(N2CCC(O)CC2)cc1 864086508 GTRAVAONAJFYAM-QINSGFPZSA-N 313.401 2.081 50 50 DEGA C[C@H](Cl)C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 1875380494 QQHCRRRBRVNTQB-YUMQZZPRSA-N 309.719 2.208 50 50 DEGA CC1=C(C(=O)OCCCCl)[C@@H](c2ccccc2)NC(=O)N1 3899935 AFQRPTCAGYRCHJ-CYBMUJFWSA-N 308.765 2.487 50 50 DEGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1 2387523 CQFYIXKYGVWNMP-LDADJPATSA-N 311.341 2.174 50 50 DEGA O=C(CSc1ccccn1)N/N=C/c1ccc([N+](=O)[O-])cc1 58368 MPYMYSVOPSSURA-CXUHLZMHSA-N 316.342 2.232 50 50 DEGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1 2744587 NALKXNVUTKUUPW-LICLKQGHSA-N 301.733 2.429 50 50 DEGA O=S(=O)(c1ccccc1)[C@H]1[C@H]2[C@H]3C[C@H]1[C@@H](Br)[C@@H]23 254301776 ZNVZGURQOQNGRK-ASHHDVGLSA-N 313.216 2.488 50 50 DEGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1 2675656 HJEJTIDFOXQKRI-VXLYETTFSA-N 315.760 2.220 50 50 DEGA CC(NNC(=O)Cc1ccccc1)=C1C(=O)c2ccccc2C1=O 2549633 BERWDWYGWWBVPQ-UHFFFAOYSA-N 320.348 2.203 50 50 DEGA O=C1O[C@H]2C[C@@]34CC=CC[C@]3(C[C@H]2I)[C@@H]14 104282047 ZWDXKNRAQJPUHJ-YSBPJYLOSA-N 316.138 2.462 50 50 DEGA CN([C@@H]1CCCN(c2ccccc2)C1)S(=O)(=O)CCl 253420241 VFWXWNSLHVWGNO-CYBMUJFWSA-N 302.827 2.113 50 50 DEGA COc1ccc(/C=N/NC(=O)Cc2cccs2)c(OC)c1 520784 MHYCDCUFBVUDPW-MHWRWJLKSA-N 304.371 2.458 50 50 DEGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]n1 228910 DUXKGCSGWSPKPI-CXUHLZMHSA-N 315.333 2.379 50 50 DEGA O=C(N/N=C/c1ccccn1)c1ccc([N+](=O)[O-])cc1Cl 440150 QEFZPOYHZWCXTJ-LZYBPNLTSA-N 304.693 2.407 50 50 DEGA C/C(=N/NC(=O)C(=O)N/N=C(/C)c1ccccc1)c1ccccc1 4587492 WZTXYSAPKCVHNM-AXPXABNXSA-N 322.368 2.067 50 50 DEGA O=C(N/N=C/c1ccc(O)cc1O)c1cccc2ncccc12 1875264483 OHIBALMCTAOLBJ-VXLYETTFSA-N 307.309 2.410 50 50 DEGA COc1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1[N+](=O)[O-] 4893671 IDEPTYBKCJHFOC-LICLKQGHSA-N 314.301 2.152 50 50 DEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(F)cc1 57508974 XAONKDYXLOUXAO-GFCCVEGCSA-N 312.728 2.236 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccncc2)[C@@H]2CSCC=C12 20598205 IMBBZTCELSDFQZ-CABCVRRESA-N 319.393 2.238 50 50 DEGA O=C(Nc1ccccc1B(O)O)c1ccc(-c2ccccc2)cc1 1083814357 SWTZHFJVQWFILK-UHFFFAOYSA-N 317.153 2.286 50 50 DEGA COc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1O 252827 TVKPZGBDWRWHJU-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA C[C@H](C(=O)N/N=C/c1ccccc1F)n1nc2ccccc2n1 124645 NTOTUDUATNRBML-VDCVXVNISA-N 311.320 2.282 50 50 DEGA COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1ccccc1 4366705 OGEJWCYIOYBUHM-WOJGMQOQSA-N 312.325 2.384 50 50 DEGA CNC(=O)c1ccc([C@H]2CCCCN2C(=O)[C@H](C)Cl)n1C 1875380755 YQWZYFNBBPPOAQ-CMPLNLGQSA-N 311.813 2.066 50 50 DEGA O=C1OC(=O)c2cc(Oc3cccc4c3C(=O)OC4=O)ccc21 100004175 OPVHOFITDJSMOD-UHFFFAOYSA-N 310.217 2.100 50 50 DEGA in-vitro COc1cccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c1OC 284798 NGIRPOFGDCQVRX-OAHLLOKOSA-N 314.341 2.374 50 50 DEGA O=C(/C=C/c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 298877 QZWUHCUVVHBWRW-IZZDOVSWSA-N 311.297 2.069 50 50 DEGA CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)OC)c1C 1466082 IBEZIJOXLWGJIA-UHFFFAOYSA-N 319.766 2.197 50 50 DEGA C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1F)c1ccccc1 2902789 MUPGIYXCCURFAS-ZGXHQARYSA-N 313.332 2.153 50 50 DEGA CC(C)CO[C@H](C)c1noc(CN(C)C(=O)[C@H](C)Cl)n1 1875364600 XLMZAXBQSPDWDH-VHSXEESVSA-N 303.790 2.389 50 50 DEGA CCC(=O)NNC(=S)Nc1ccc(Br)cc1 6388713 WLBGTBHOIOITEJ-UHFFFAOYSA-N 302.197 2.177 50 50 DEGA CC/C(=N/NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 4637496 ULBLRIDZURVMOL-ZHZULCJRSA-N 322.372 2.285 50 50 DEGA Cc1c([C@H](C)NC(=O)CCl)cnn1-c1ccc(C#N)cc1 1875363768 ZBOKWZYHIJWETE-JTQLQIEISA-N 302.765 2.468 50 50 DEGA Cn1cccc1CC(=O)N/N=C/c1cccc(Br)c1 230768 PNAFUXSKEUQRAB-MHWRWJLKSA-N 320.190 2.480 50 50 DEGA CCOC(=O)/C(C#N)=C/c1ccc(I)o1 196658 HYGXHCVXVOJFCY-FNORWQNLSA-N 317.082 2.354 50 50 DEGA O=S(=O)(CBr)N1CCC[C@@H]1Cc1ccccc1 126675214 VJLNXDGVMQEIAK-GFCCVEGCSA-N 318.236 2.376 50 50 DEGA Cc1cccc(-n2cnc(C(=O)N/N=C\c3cccs3)c2)n1 5634957 ZFJCOPPLJPYJAV-IUXPMGMMSA-N 311.370 2.401 50 50 DEGA COc1ccc(CC(=O)NNC(=O)c2ccccc2Cl)cc1 436106 QGZKRJPQOLJYQH-UHFFFAOYSA-N 318.760 2.352 50 50 DEGA COc1cccc(C2(NC(=O)CCl)CCOCC2)c1F 1875378080 VJMLTHNOJUAQGY-UHFFFAOYSA-N 301.745 2.195 50 50 DEGA COc1ccc(C2=NO[C@H](CNC(=O)[C@H](C)Cl)C2)cc1F 1875376315 SEPISJFMBHULNU-WPRPVWTQSA-N 314.744 2.071 50 50 DEGA Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4282110 HVWJUMINXYYMDQ-VCHYOVAHSA-N 312.325 2.222 50 50 DEGA COc1ccc(C(=O)N/N=C2\C(=O)Nc3c(C)cccc32)cc1 8228892 UCGZBWABSLUSQI-UHFFFAOYSA-N 309.325 2.090 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-] 70981 HBVIIHANKJLMMD-CQSZACIVSA-N 311.297 2.410 50 50 DEGA O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1ccncc1 8684661 XORKAIJWZQWQGL-KEBDBYFISA-N 309.304 2.375 50 50 DEGA COC(=O)c1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 298772 ALCDVDZGBVDXDV-VCHYOVAHSA-N 300.289 2.376 50 50 DEGA COC(=O)c1sc(NC(=O)CCCl)c(C(=O)OC)c1C 2027893 VEQUKVQGKYHUIC-UHFFFAOYSA-N 319.766 2.197 50 50 DEGA CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@@H]1CNC(=O)CCl 1875370075 AXMOZPMNHUDGOK-RYUDHWBXSA-N 316.829 2.377 50 50 DEGA COc1ccc([C@H]2[C@@H](CNC(=O)CCl)CCCN2C)cc1 1875364484 SAQMXPTXUQRELK-CJNGLKHVSA-N 310.825 2.433 50 50 DEGA C[C@@H](Cl)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 1875366876 QIMBRTNKLWNJPC-ZWNOBZJWSA-N 317.216 2.289 50 50 DEGA COc1ccc(CCC(=O)NNC(=S)NC2CCCC2)cc1 610901 DWCTVORJDNQEMT-UHFFFAOYSA-N 321.446 2.066 50 50 DEGA CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1O 5817682 HOTSRQIMLAQOFE-CYBMUJFWSA-N 312.329 2.041 50 50 DEGA Cn1c(SCC(=O)N/N=C/c2ccco2)nc2ccccc21 73051 BJRHQKAFPRMTEH-CXUHLZMHSA-N 314.370 2.409 50 50 DEGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1O 4360481 KZJBYYQJPVHWTC-WOJGMQOQSA-N 312.325 2.427 50 50 DEGA Cc1cc(NC(=O)[C@@H](C)Cl)ccc1NC(=O)Cn1cccn1 1875363604 LXLCPXGXHDUNKY-LLVKDONJSA-N 320.780 2.396 50 50 DEGA C/C(=N\NC(=O)c1cnccn1)c1cccc(Br)c1 4531275 SRYUPEIJTLBQDN-RQZCQDPDSA-N 319.162 2.393 50 50 DEGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccc(O)c1 33292849 DJKMYZKTKJCCSS-LDADJPATSA-N 323.356 2.067 50 50 DEGA O=C(COc1ccc(Cl)cc1)NNC(=O)Cc1ccccc1 299507 PLWAETJHLRZEGV-UHFFFAOYSA-N 318.760 2.109 50 50 DEGA Cc1ccc([C@H](CNC(=O)[C@H](C)Cl)N2CCOCC2)s1 1875364458 QWVFJZZIXNOTMO-RYUDHWBXSA-N 316.854 2.173 50 50 DEGA CCCn1c(=O)c(C(=O)NN=C(C)C)c(O)c2ccccc21 100658382 SSVWBXXJDILBNY-UHFFFAOYSA-N 301.346 2.243 50 50 DEGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(N)cc1 5296824 KZMLJVZPNKVDFS-VCHYOVAHSA-N 309.329 2.406 50 50 DEGA O=C(CCl)N[C@H]1COc2cc(F)c(Br)cc21 1875374671 CFQOCXYNJJICCG-QMMMGPOBSA-N 308.534 2.377 50 50 DEGA O=C(CN1CCSCC1)N/N=C/c1ccc2ccccc2c1 293321 WFMJYFBWJHYCFE-LDADJPATSA-N 313.426 2.339 50 50 DEGA O=C(N/N=C/c1cccs1)[C@H]1CC(=O)N(c2ccccc2)C1 448565 QWLKMIKMDIXLJB-VAKHEIKFSA-N 313.382 2.251 50 50 DEGA C[C@H](Cl)C(=O)N1CCCC[C@@H]1c1nc(-c2ncccn2)no1 1875364184 JKNWZZBDBXNMEL-VHSXEESVSA-N 321.768 2.208 50 50 DEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccco1 3153531 AQUJCPRBHNKVGQ-LZYBPNLTSA-N 305.721 2.330 50 50 DEGA COc1ccccc1/C=C/C=N/NC(=O)c1n[nH]c2c1CCC2 9007770 SWWWGRGNXABSNC-FJIBGIISSA-N 310.357 2.336 50 50 DEGA CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2C[C@H]2NC(=O)CCl)C1 1875375751 HNNNAKWFSPQMKW-QJPTWQEYSA-N 316.829 2.377 50 50 DEGA O=C(N/N=C/c1c[nH]c2c(C(=O)O)cccc12)c1ccncc1 4832315 UIZJBFMFBMRLQQ-DJKKODMXSA-N 308.297 2.025 50 50 DEGA COc1ccccc1/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1 9089541 OUDNXOPNUCFLIT-WOJGMQOQSA-N 323.356 2.188 50 50 DEGA CCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1O 4360475 HSAHZOUZRXKKDY-LICLKQGHSA-N 300.314 2.260 50 50 DEGA COc1ccc(OCn2ccc(C(=O)NN=C(C)C)n2)cc1 6317795 GPXOOMJGHJINKI-UHFFFAOYSA-N 302.334 2.054 50 50 DEGA O=C(Cc1ccccc1)NNC1=C(C(=O)C(F)(F)F)CCC1 5016070 YZBOHZVSAMETJL-UHFFFAOYSA-N 312.291 2.419 50 50 DEGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1 4326980 OXQKADSLTNHOFY-RGVLZGJSSA-N 309.369 2.184 50 50 DEGA COc1ccc(/C=N/NC(=O)CCC2(O)CCCC2)cc1OC 301336 AYOHUCIXLUTKHD-LDADJPATSA-N 320.389 2.239 50 50 DEGA CC(=O)N1CC[C@@H](NC(=O)[C@H](C)Cl)c2ccc(F)cc2C1 1875378014 UCMIWXWXYLZNGI-LKFCYVNXSA-N 312.772 2.363 50 50 DEGA O=C(CCCCl)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 4070932 SFHJAKNBCOCGER-UHFFFAOYSA-N 300.698 2.324 50 50 DEGA Cc1cc(OCc2cccc(C(=O)NN)c2)ccc1[N+](=O)[O-] 2568637 BWVUQDSVBYFODB-UHFFFAOYSA-N 301.302 2.086 50 50 DEGA NNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 449545 YQNACQBKOXAFRP-GXDHUFHOSA-N 315.760 2.101 50 50 DEGA C[C@H](Cl)C(=O)N1CCO[C@H](COc2ccc(F)c(F)c2)C1 1875377729 MBPWQQYFUUHHMX-ONGXEEELSA-N 319.735 2.198 50 50 DEGA COc1cccc(OCC(=O)N/N=C/c2ccc(C#N)cc2)c1 35653635 TXOZIGPCFBZYIA-YBFXNURJSA-N 309.325 2.096 50 50 DEGA O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccccc1Cl 2383770 WYLJNOHHJXMVPJ-RQZCQDPDSA-N 317.732 2.134 50 50 DEGA CC(C)CNC(=S)NNC(=O)c1csc2c1CCCC2 13468993 LBJRXNDBKPLOGZ-UHFFFAOYSA-N 311.476 2.392 50 50 DEGA Cc1ccc(NC(=O)CSCCOC(=O)CCl)cc1 665887148 DURIVUULQOTUSD-UHFFFAOYSA-N 301.795 2.449 50 50 DEGA O=C(CCl)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1253962839 DMIKXMIJCLWNFR-UHFFFAOYSA-N 315.200 2.253 50 50 DEGA C[C@H](Cl)C(=O)NCCC(=O)N1c2ccccc2CC[C@@H]1C 1875376404 VXLFKFULWRXWQZ-RYUDHWBXSA-N 308.809 2.488 50 50 DEGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccoc1C 1957120 LLKVLXRUADQOAD-RQZCQDPDSA-N 318.329 2.378 50 50 DEGA NNC(=O)c1cc(Br)cc(Cc2ccccc2)c1O 407505 LILXSAUNVJZRKM-UHFFFAOYSA-N 321.174 2.349 50 50 DEGA NC(=O)N/N=C1/C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1 15906691 XQEXACNRESQTEA-BAOGPQIGSA-N 307.353 2.386 50 50 DEGA C[C@@H](Cl)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 1875366875 QIMBRTNKLWNJPC-MFKMUULPSA-N 317.216 2.289 50 50 DEGA CC(C)(C)OC(=O)N1CCC(C(=O)OC(=O)n2ccnc2)CC1 238178404 LLTPCRAKJXBKIZ-UHFFFAOYSA-N 323.349 2.042 50 50 DEGA CC1(C)O[C@H]2[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 169747032 JJLRGSYXWAKGJM-KKOKHZNYSA-N 304.459 2.246 50 50 DEGA C[C@H](NC(=O)CCl)c1cc(F)ccc1N1CCC(O)CC1 1116439296 TYAXMZUPGCXPPN-JTQLQIEISA-N 314.788 2.203 50 50 DEGA O=C(CC1CCN(C(=O)[C@@H](F)Cl)CC1)NC1CCCC1 2325898226 XRZWTCDMVISEON-CYBMUJFWSA-N 304.793 2.208 50 50 DEGA N#CC1=C(N)[C@](C#N)(c2cccnc2)[C@@H](C#N)[C@@H]2CCCC=C12 19827367 FTMSZMYDZCTLFS-UWWQBHOKSA-N 301.353 2.459 50 50 DEGA CC(C)(C)OC(=O)N1CC(NC(=O)CCl)(c2ccccc2)C1 1875377355 CTCMAXNIDMNAIZ-UHFFFAOYSA-N 324.808 2.488 50 50 DEGA CC1(C)CC(=O)C/C(=N/NC(=O)c2ccccc2[N+](=O)[O-])C1 100315859 HISDMDRLTAYUKP-YBEGLDIGSA-N 303.318 2.460 50 50 DEGA Cc1ccc(OCC(=O)NNC(=O)Cc2cccs2)c(C)c1 15684530 VCFSOHIPXXLAKX-UHFFFAOYSA-N 318.398 2.134 50 50 DEGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1 4231403 IXVGEENERDJPNP-XDHOZWIPSA-N 324.384 2.150 50 50 DEGA COc1ccc(OC)c(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c1 13635484 ZZDYXLWJOURXKW-AWQFTUOYSA-N 324.340 2.344 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1O 257079 BVFLLQCKIKEWOG-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA CN(C)c1ccc(CN(Cc2cnn(C)c2)C(=O)CCl)cc1 2325890430 JGNKBCJLOQQDTL-UHFFFAOYSA-N 320.824 2.254 50 50 DEGA CCCN(C(=O)CCl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1336909967 KGFMFBFMRDRVKF-LLVKDONJSA-N 304.818 2.473 50 50 DEGA C[C@@H](Cl)C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 1875378174 WQXGCEUKJGVXCU-GMSGAONNSA-N 322.213 2.254 50 50 DEGA C[C@H](Cl)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 1875366874 QIMBRTNKLWNJPC-GXFFZTMASA-N 317.216 2.289 50 50 DEGA CC/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(O)cc1 71776074 YQULBURGWVJTBF-NBVRZTHBSA-N 323.356 2.067 50 50 DEGA O=C1Nc2ccccc2/C1=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1 5647805 KBKWITSMDOTAJX-KGLIPLIRSA-N 305.337 2.263 50 50 DEGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc2c(c1)OCO2 176237 CZEKQECKTGRWKB-INIZCTEOSA-N 308.293 2.339 50 50 DEGA Cc1occc1C(=O)NNC(=S)Nc1cccc([N+](=O)[O-])c1 8578551 SIJDXSNGWRWXTL-UHFFFAOYSA-N 320.330 2.128 50 50 DEGA CCOC(=O)c1c(N)sc2c1CC[C@H](Br)C2=O 9203996 NUOFGSJYPVWBEC-LURJTMIESA-N 318.192 2.399 50 50 DEGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cnccn1 4229886 OGUTWKFIWDJQQD-UFWORHAWSA-N 311.732 2.442 50 50 DEGA O=C(CCl)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O 553486 ZPVGZIFJXSMNLY-MRVPVSSYSA-N 305.721 2.160 50 50 DEGA CCCCNC(=O)NNC(=O)c1ccc(Br)cc1 2640188 HSAGPYPRTISIIM-UHFFFAOYSA-N 314.183 2.193 50 50 DEGA Cc1ccc(NC(=O)CCC(=O)NNC(=O)C(C)(C)C)c(C)c1 2884940 YSVOFZQLNJHLNE-UHFFFAOYSA-N 319.405 2.216 50 50 DEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 230115 LWINBMIAFYUIEI-CXUHLZMHSA-N 315.333 2.018 50 50 DEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1951978 LXSAONRNDPQYTB-OQLLNIDSSA-N 314.257 2.267 50 50 DEGA COCCCNC(=O)/C(C#N)=C/c1ccnc(Cl)c1Cl 253419708 BXXSYIXOBLRSKG-JXMROGBWSA-N 314.172 2.448 50 50 DEGA N#C/C(=C\c1cc(I)ccc1F)C(=O)O 2546562 BJIGCIUDDLCXKV-XVNBXDOJSA-N 317.057 2.422 50 50 DEGA O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccccn1 2164559 YFVGILJOCYHJMB-UHFFFAOYSA-N 306.778 2.366 50 50 DEGA CCOC(=O)[C@@H](Br)C(=O)c1ccc(OC)cc1 100029113 OWFFTVVEZANQDO-JTQLQIEISA-N 301.136 2.205 50 50 DEGA CCc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 53950 IROTVOXDKXSGIL-UHFFFAOYSA-N 323.352 2.100 50 50 DEGA CN1CCC(N(C)C[C@@H](NC(=O)CCl)c2ccccc2)CC1 1875364800 UOLSEYJIQKOSOD-MRXNPFEDSA-N 323.868 2.109 50 50 DEGA O=C(CCl)NC(C(=O)O)(c1ccccc1)c1ccccc1 122770 SCVPLKKOUBEWQK-UHFFFAOYSA-N 303.745 2.370 50 50 DEGA COc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 2779359 NUNVUWGKAFHGGA-UHFFFAOYSA-N 304.733 2.423 50 50 DEGA COc1nccnc1NS(=O)(=O)c1ccc(N=C=S)cc1 6645483 MWDUVPKYEZTTAE-UHFFFAOYSA-N 322.371 2.020 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1OC 301039 MUOXUWCGPBKJPN-LICLKQGHSA-N 300.314 2.173 50 50 DEGA COc1ccc(C2=NO[C@@H](CNC(=O)[C@@H](C)Cl)C2)cc1F 1875376312 SEPISJFMBHULNU-PSASIEDQSA-N 314.744 2.071 50 50 DEGA CN(C)c1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1 13635470 GYKGGCCJHKBXRG-KEBDBYFISA-N 307.357 2.393 50 50 DEGA C=CCSC1=NC(N)=C(C#N)C2(CCCCC2)[C@H]1C(N)=O 19867732 PRXDPAKMTIOWTK-NSHDSACASA-N 304.419 2.064 50 50 DEGA O=C(NCCCC[C@@H](Br)C(=O)O)c1ccccc1 1672826 FJFPFKONXJAJQH-LLVKDONJSA-N 314.179 2.435 50 50 DEGA C[C@H](Cl)C(=O)N[C@](C)(C#N)COc1ccc(F)c(F)c1 1875255287 YHZDYCSNRCCEAG-ISVAXAHUSA-N 302.708 2.369 50 50 DEGA Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NN 2508547 UYRNADNVNJEYCI-UHFFFAOYSA-N 312.156 2.166 50 50 DEGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 5402868 LJIMEQJWHFDVKH-LICLKQGHSA-N 310.313 2.442 50 50 DEGA C[C@@H](Cl)C(=O)N1CCN(c2ccc(F)cc2)C(=O)C1(C)C 1875380577 SNNJHBAHHSYAJO-SNVBAGLBSA-N 312.772 2.407 50 50 DEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1C 2902043 FVTZIDDGBCMPKB-CXUHLZMHSA-N 301.371 2.454 50 50 DEGA COc1cc(/C(C)=N/NC(=O)c2cc(C(C)C)n[nH]2)ccc1O 18148586 YRLJNQHBUNLXGS-LICLKQGHSA-N 316.361 2.401 50 50 DEGA O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccccc1O 1960337 NIOAJSSRPNVAAS-LDADJPATSA-N 311.341 2.261 50 50 DEGA CCOC(=O)N/N=C/c1cc(OC)c(O)cc1Br 6941320 NIALNCIFWGPEOR-AWNIVKPZSA-N 317.139 2.243 50 50 DEGA C[C@H](Cl)C(=O)N[C@@H]1CCO[C@H]1c1nccn1-c1ccccc1 1875380679 WCYKPQBEQIJWHV-IACUBPJLSA-N 319.792 2.446 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1OC 196596 CLRQYEJLDPFVJT-OAHLLOKOSA-N 314.341 2.340 50 50 DEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1 2898417 VOIKZEAMPUJHSS-MHWRWJLKSA-N 317.370 2.236 50 50 DEGA COc1ccc(CC(=O)N/N=C(\C)c2ccccn2)cc1OC 12343159 UAKOVMJUPAYVIA-XDHOZWIPSA-N 313.357 2.182 50 50 DEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC(C)C)[C@H]2C1 6265508 HMPJEAPJAQLKLC-HOTGVXAUSA-N 309.417 2.310 50 50 DEGA Cc1c(Cl)c(C(=O)NNC(=S)Nc2ccccc2)nn1C 8581738 PJVBDTHYBRVLSE-UHFFFAOYSA-N 323.809 2.013 50 50 DEGA O=C(N/N=C/c1ccccc1C(=O)O)c1ccc2nc[nH]c2c1 549206 BKRRBSABIOHPGD-UFWORHAWSA-N 308.297 2.025 50 50 DEGA COc1ccc(-c2nc(-c3ccc(B(O)O)cc3)cs2)cc1 169744471 BTNJNCXUWOUZHY-UHFFFAOYSA-N 311.171 2.166 50 50 DEGA O=C(NNC(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1 46135 WPZBRGKCEZRVAJ-UHFFFAOYSA-N 300.274 2.061 50 50 DEGA CC1=C(C#N)[C@@](Nc2nnc(C)s2)(C(F)(F)F)C(O)=N1 40267111 OTZMSAZGVATPMD-VIFPVBQESA-N 303.269 2.327 50 50 DEGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1O 16309841 FMIMSTUCVCHGCS-GYKGCMEESA-N 312.325 2.072 50 50 DEGA COc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1 5536306 JMSQFDQDIZORPI-LICLKQGHSA-N 300.362 2.118 50 50 DEGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(O)cc1 242006 FCUITUOBNMVDPJ-AWEZNQCLSA-N 314.341 2.427 50 50 DEGA Cc1nn(C)c(C)c1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)C)c21 67601749 MEXIPXRLGJXKPA-LBPRGKRZSA-N 312.377 2.102 50 50 DEGA CC(C)OC(=O)/C(C#N)=C/c1ccccc1OCCC(=O)O 585135965 KQFOKKFWLRABGR-UKTHLTGXSA-N 303.314 2.399 50 50 DEGA COC(=O)N1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 230113423 RUAPYDZHXLSHCZ-VWDOSNQTSA-N 312.989 2.126 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc([N+](=O)[O-])cs1 58328 PLNLYYUAGBLLSG-GFCCVEGCSA-N 317.326 2.471 50 50 DEGA C[C@H](CC(=O)NCCSSCCC(=O)O)[C@H]1CCCO1 1875388446 BIEZGLRVTMIDNB-GHMZBOCLSA-N 321.464 2.164 50 50 DEGA O=C(NNC(=S)NCc1ccc(Cl)cc1)c1ccccn1 611031 BGKGCXSKGDJRKV-UHFFFAOYSA-N 320.805 2.044 50 50 DEGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(Cl)cc1 2900536 ACBNTEYTXJVZMR-RQZCQDPDSA-N 317.732 2.134 50 50 DEGA C[C@H](Cl)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 1875376255 QCYVQANVHOOKBM-ZKWXMUAHSA-N 307.824 2.099 50 50 DEGA CNC(=O)c1ccc([C@H]2CCCCN2C(=O)[C@@H](C)Cl)n1C 1875380758 YQWZYFNBBPPOAQ-ZYHUDNBSSA-N 311.813 2.066 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@@H]2COCC=C12 20000457 SAGQKLDBTNMTGA-CVEARBPZSA-N 320.327 2.266 50 50 DEGA O=C1C(C(F)(F)F)=C(Cl)N=C[C@@H]1I 91693009 VMCRWWVNAHBMGN-REOHCLBHSA-N 323.439 2.456 50 50 DEGA COc1ccccc1/C=C/C(=O)NNC(=O)c1cccs1 587209 VPNXUAMHYPROCV-CMDGGOBGSA-N 302.355 2.231 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1O 252743 IPXDUBUZMSYEJN-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA CN([C@H]1CCCN(c2ccccc2)C1)S(=O)(=O)CCl 253420244 VFWXWNSLHVWGNO-ZDUSSCGKSA-N 302.827 2.113 50 50 DEGA Cc1ccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 251846 RQPDFCXYLDXGQZ-VCHYOVAHSA-N 312.329 2.465 50 50 DEGA Cn1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 354740 BUAMUNOZIHWHOF-WAKXPGHKSA-N 307.353 2.362 50 50 DEGA COc1ccccc1/C=N/NC(=O)c1ccc(OC)c(OC)c1 3211537 GLYFYCBXNOAXNX-WOJGMQOQSA-N 314.341 2.476 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@H]2CSCC=C12 19773166 ASBDKQZMUHPGDY-GJZGRUSLSA-N 319.393 2.238 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)[C@H]2COCC=C12 19851880 SAGQKLDBTNMTGA-JKSUJKDBSA-N 320.327 2.266 50 50 DEGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1 9046910 FDIPFZLJPIEJLA-RQZCQDPDSA-N 314.345 2.084 50 50 DEGA NNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2568600 RYJQRYFCAXSIIA-UHFFFAOYSA-N 304.199 2.019 50 50 DEGA O=S(=O)(NCCCCl)c1cccc(Br)c1 16123708 INZZPTJKKBQFPE-UHFFFAOYSA-N 312.616 2.356 50 50 DEGA in-vitro C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCl)C1=O 1875375257 WKQBNPUQPQCHQI-ZWNOBZJWSA-N 312.772 2.233 50 50 DEGA O=C1c2ccccc2C(=O)N1CCCI 1615394 LKSISOJOXOBDGH-UHFFFAOYSA-N 315.110 2.108 50 50 DEGA O=C(Cc1cccc(O)c1F)NNC(=O)c1ccc(Cl)cc1 170596774 ZQNXGOFYKKPFLN-UHFFFAOYSA-N 322.723 2.188 50 50 DEGA COc1cccc(/C=N/NC(=O)COc2ccc(C)cc2)c1O 584633 WIMRGRUMGWASAP-VCHYOVAHSA-N 314.341 2.238 50 50 DEGA COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCl 1875366369 DPGORPBNCPBQMA-UHFFFAOYSA-N 312.797 2.488 50 50 DEGA COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 298905 GEGZJMYRECFXQQ-UHFFFAOYSA-N 304.733 2.423 50 50 DEGA O=C(N/N=C/CCC/C=N/NC(=O)c1ccco1)c1ccco1 4832908 RDEFVBLEGHGYTM-GONBZBRSSA-N 316.317 2.174 50 50 DEGA CC(C)(C)OC(=O)N1[C@@H]2c3ccccc3[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]21 526056043 GXKPGCXFTICKPL-LPWJVIDDSA-N 315.325 2.349 50 50 DEGA COCc1[nH]nc2c1[C@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 614473 WUKQWNYCXFSALA-GFCCVEGCSA-N 318.283 2.052 50 50 DEGA NNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 170041 ARYFFRRHNKOZFV-UHFFFAOYSA-N 302.205 2.195 50 50 DEGA CCOC(=O)c1c(N)sc2c1CC[C@@H](Br)C2=O 9203993 NUOFGSJYPVWBEC-ZCFIWIBFSA-N 318.192 2.399 50 50 DEGA N#CC(C#N)=CNc1ccc(N)c2c1C(=O)c1ccccc1C2=O 5224778 KJPSRUPSOPWLMB-UHFFFAOYSA-N 314.304 2.387 50 50 DEGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccccc1C)C(=O)N2 13476000 CQCVSQPQMVGWPQ-UHFFFAOYSA-N 323.352 2.155 50 50 DEGA C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1O 16309845 FMIMSTUCVCHGCS-YCPFAOKUSA-N 312.325 2.072 50 50 DEGA O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 260248 TUPGJJNJUBDDCW-INIZCTEOSA-N 310.353 2.294 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(OC)c1 356675 LVMAUJADNISQOJ-LICLKQGHSA-N 300.314 2.173 50 50 DEGA OCC(CBr)(CBr)CBr 1571060 QEJPOEGPNIVDMK-UHFFFAOYSA-N 324.838 2.150 50 50 DEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1Cl 2420447 JHMMWOJWYKVRNB-GIJQJNRQSA-N 316.748 2.132 50 50 DEGA CCOC(=O)[C@H](CC)C(C)=NNC(=O)c1ccccc1[N+](=O)[O-] 254855308 MQWSXNZOEWFCAT-LLVKDONJSA-N 321.333 2.290 50 50 DEGA CC1CCN(CCC(=O)N/N=C/c2ccc(N(C)C)cc2)CC1 448128 REKNSQWTSGIXID-XMHGGMMESA-N 316.449 2.325 50 50 DEGA CC(C)n1cc([C@@H]2N(C(=O)CCl)CC23CCOCC3)cn1 1875377327 CBLQLPBPLAWZMZ-AWEZNQCLSA-N 311.813 2.383 50 50 DEGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccc(Cl)cc1 4282750 AFSZEDFPRKNELM-OVCLIPMQSA-N 307.762 2.490 50 50 DEGA O=C(N[C@H]1CCCN(C(=O)CCl)C1)c1cc2ccccc2o1 1319683028 UPRCTXWJJYTICZ-LBPRGKRZSA-N 320.776 2.392 50 50 DEGA CCC[C@@H](NC(=O)CCl)C(=O)N1CCc2sccc2C1 1320466390 JDMPBMDMBMPTGS-LLVKDONJSA-N 314.838 2.157 50 50 DEGA CC1CCN(CCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)CC1 5073497 BCVNOHLLHVYOTL-SFQUDFHCSA-N 318.377 2.167 50 50 DEGA O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1cccnc1 333510 MJNZUUOEYVXCTB-UHFFFAOYSA-N 310.140 2.463 50 50 DEGA Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(B(O)O)c1 169744142 PUPDWCIWYMYABU-UHFFFAOYSA-N 323.972 2.234 50 50 DEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccnc1 4282155 ZKWFKMBCJHBHSS-GIJQJNRQSA-N 316.748 2.132 50 50 DEGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 2553757 DLAMNVMOXWKKSK-RGVLZGJSSA-N 309.369 2.184 50 50 DEGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 3572292 WHRFEWOAPUDUAV-GIJQJNRQSA-N 316.288 2.053 50 50 DEGA Cc1ccc2nc(C)cc(C(=O)NNC(=S)NC3CC3)c2c1 17052800 PJRXIAPIFBQOAN-UHFFFAOYSA-N 314.414 2.123 50 50 DEGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 1881922 ZWVXJVCYOWDNET-VXLYETTFSA-N 315.760 2.220 50 50 DEGA O=[N+]([O-])c1ccc([C@@H](O)[C@H]2COC(C(Cl)Cl)=N2)cc1 101356810 IAZXBBCUBWEOCW-RKDXNWHRSA-N 305.117 2.229 50 50 DEGA O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(F)cc1 252491852 LXHUGGFZAFMTDX-LICLKQGHSA-N 301.277 2.427 50 50 DEGA O=C(Cc1ccccc1)N/N=C/c1cc2ccccc2[nH]c1=O 4229195 BIUSPZMAWCCRPZ-XDHOZWIPSA-N 305.337 2.221 50 50 DEGA COC(=O)c1ccc(/C=N/NC(=O)Cc2cccs2)cc1 72264 HBTDCFATXVRDHI-MHWRWJLKSA-N 302.355 2.228 50 50 DEGA C[C@@H](Cl)C(=O)N[C@](C)(C#N)COc1ccc(F)c(F)c1 1875255286 YHZDYCSNRCCEAG-AMIZOPFISA-N 302.708 2.369 50 50 DEGA Cn1ncc2ccc(CNC(=O)N3CCSSCC3)cc21 1775989817 BEGNEKQVFKMVKG-UHFFFAOYSA-N 322.459 2.480 50 50 DEGA CNC(=S)NNC(=O)c1cc(CC(C)C)nc2ccccc12 6563890 GDYBYFOMCGTQEG-UHFFFAOYSA-N 316.430 2.172 50 50 DEGA O=[N+]([O-])c1ccc(N2CCOCC2)c(CBr)c1 22995909 VUVOQFRECQAGPS-UHFFFAOYSA-N 301.140 2.326 50 50 DEGA C[C@H](Cn1cc(Br)cn1)C(=O)NC1=C(C#N)CCC1 6524659 KSMNXHHSUZTZMZ-SECBINFHSA-N 323.194 2.359 50 50 DEGA COc1ccc(C(=O)N/N=C/c2cccc(OC)c2O)cc1 112591 FVUJSHZQRAMTME-LICLKQGHSA-N 300.314 2.173 50 50 DEGA Cc1cccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 260100 ZOCOMNRSWQSSKQ-LICLKQGHSA-N 313.313 2.432 50 50 DEGA Cc1ccc([C@H](CNC(=O)[C@@H](C)Cl)N2CCOCC2)s1 1875364455 QWVFJZZIXNOTMO-NEPJUHHUSA-N 316.854 2.173 50 50 DEGA Cc1cc(NC(=O)[C@H](C)Cl)ccc1NC(=O)Cn1cccn1 1875363605 LXLCPXGXHDUNKY-NSHDSACASA-N 320.780 2.396 50 50 DEGA C#CC1CN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)C1 1615614111 MEZBPGBKUZXURT-ZFWWWQNUSA-N 304.187 2.183 50 50 DEGA CC(=O)NCCCN(Cc1cccc(C)c1C)C(=O)CCl 1875376260 QJDMOVRYRMECEY-UHFFFAOYSA-N 310.825 2.397 50 50 DEGA COCc1[nH]nc2c1[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 614474 WUKQWNYCXFSALA-LBPRGKRZSA-N 318.283 2.052 50 50 DEGA COc1cccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 291294 VGTKWQSAKMYVFW-GZTJUZNOSA-N 313.313 2.296 50 50 DEGA COc1nccnc1NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 132097684 YSTQBHVNJHGMOZ-IUCAKERBSA-N 320.299 2.010 50 50 DEGA CC(C)(C)OC(=O)NNC(=O)c1ccc(C(F)(F)F)cn1 263640058 VIWRDLFHZNOSOV-UHFFFAOYSA-N 305.256 2.270 50 50 DEGA CCOc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1 610889 SHQXHPCEWDTNEF-UHFFFAOYSA-N 319.405 2.291 50 50 DEGA COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O 498229 GYEKQISZSMHVDR-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA N#CC1=CCC[C@@H](OC(=O)c2ccc(N3CCNC3=O)cc2)C1 888099859 ZGIFYHXFRYLCHL-OAHLLOKOSA-N 311.341 2.375 50 50 DEGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 3135169 RPHCQXSVBWICGY-JDNHERCYSA-N 324.336 2.476 50 50 DEGA O=[N+]([O-])c1ccc([C@H](O)[C@@H]2COC(C(Cl)Cl)=N2)cc1 101356808 IAZXBBCUBWEOCW-IUCAKERBSA-N 305.117 2.229 50 50 DEGA C[C@@H](Cl)C(=O)N1CCO[C@@H](COc2ccc(F)c(F)c2)C1 1875377728 MBPWQQYFUUHHMX-MWLCHTKSSA-N 319.735 2.198 50 50 DEGA O=C(NNC(=S)NCc1ccco1)c1ccc(Cl)s1 609445 BGUYVAAADZNTNR-UHFFFAOYSA-N 315.807 2.304 50 50 DEGA O=C(N/N=C/c1cccc(O)c1)c1cncc(Br)c1 221156 SMTQYXLKCZMOLW-OMCISZLKSA-N 320.146 2.314 50 50 DEGA CC[C@@H](CO)N(Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)CCl 1875382045 OZGKNSRTCUNXFS-LBPRGKRZSA-N 314.769 2.242 50 50 DEGA CN(C)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1 228823 GIMUHCUEUZJNRA-RGVLZGJSSA-N 321.384 2.253 50 50 DEGA O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1 2892308 YBRJHPVHCYTFIZ-YBFXNURJSA-N 315.760 2.107 50 50 DEGA COc1ccc(C(=O)NC2CC2)cc1-c1noc(CCl)n1 34924952 JYTXGDRKJGUTFZ-UHFFFAOYSA-N 307.737 2.376 50 50 DEGA COC(=O)c1ccccc1NC(=O)NNC(=O)OC(C)(C)C 2855958 CKBPJEBDWZNQCN-UHFFFAOYSA-N 309.322 2.034 50 50 DEGA N#CCC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3086252 LWQYEBIZKUEHQG-UHFFFAOYSA-N 320.658 2.425 50 50 DEGA COc1cc(OC)cc([C@@]2(F)CCN(C(=O)CCl)C2)c1 1875377475 FICCCMFNFRCCBL-CQSZACIVSA-N 301.745 2.340 50 50 DEGA COC(=O)c1nc([C@H]2CCCN2C(=O)[C@H](F)Cl)sc1C 2325898730 XROXBVMWKOTALQ-APPZFPTMSA-N 320.773 2.436 50 50 DEGA O=S(=O)(c1ccccc1)[C@@H]1[C@H]2[C@H]3C[C@H]1[C@@H](Br)[C@@H]23 254301779 ZNVZGURQOQNGRK-NURVWSNCSA-N 313.216 2.488 50 50 DEGA Cc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1C 17750524 UMTMHNDXNRRAFH-UHFFFAOYSA-N 323.352 2.155 50 50 DEGA O=C(COc1ccccc1)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 4957811 VXZVBDYLJPXXOF-HZPDHXFCSA-N 310.353 2.017 50 50 DEGA Cc1occc1C(=O)NNC(=S)N[C@H](C)c1ccccc1 2112756 WHSJMAQTJLCBMS-SNVBAGLBSA-N 303.387 2.458 50 50 DEGA Cc1cc(NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)nc(C)n1 128809014 KEOWSQJVMODSPY-KGLIPLIRSA-N 300.337 2.479 50 50 DEGA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@@H](C)Cl)C1 1875366364 DACFTEMWDSXDAG-PWSUYJOCSA-N 315.870 2.359 50 50 DEGA C#CC1CN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)C1 1615614109 MEZBPGBKUZXURT-HIFRSBDPSA-N 304.187 2.183 50 50 DEGA CCCCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2 13468496 ZDMNYPOYATVJFJ-UHFFFAOYSA-N 309.479 2.498 50 50 DEGA CCc1n[nH]c(C(=O)N/N=C(\C)c2ccc(OC)cc2)c1C 5314308 IPXCZJOZJNDAAE-GZTJUZNOSA-N 300.362 2.443 50 50 DEGA C[C@@H](Cl)C(=O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1 1875364185 JKNWZZBDBXNMEL-ZJUUUORDSA-N 321.768 2.208 50 50 DEGA COc1ccc(CN(C[C@@H]2CC(C)=NO2)C(=O)CCl)cc1 1875374216 FWGNHBQIWROULP-AWEZNQCLSA-N 310.781 2.427 50 50 DEGA COc1cccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1 55852 IGNZAADFPDLUMF-LICLKQGHSA-N 300.362 2.118 50 50 DEGA FC(F)c1nnc2ccc(N3CCSSCC3)nn12 952874657 ASMJYWRXQSHNCL-UHFFFAOYSA-N 303.363 2.263 50 50 DEGA CC(C)c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1 9186599 CNXPKPHIJGNFFA-OVCLIPMQSA-N 301.306 2.205 50 50 DEGA Cc1ccc(OCC(=O)NNC(=O)c2ccccc2C)c(C)c1 444741 NSFJFMAMCZXQKO-UHFFFAOYSA-N 312.369 2.452 50 50 DEGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1O 48090 QLXWFZYOLPOIEL-VCHYOVAHSA-N 314.341 2.238 50 50 DEGA Cc1ccc(NC(=O)[C@H]2CC[C@@](C)(C(=O)NN)C2(C)C)cc1 446654 RYMGRESMCKIYDL-DYVFJYSZSA-N 303.406 2.366 50 50 DEGA COc1ccc(-c2cc(C(=O)N/N=C\c3ccccn3)[nH]n2)cc1 5033341 WATFUEFDZOXIBW-ODLFYWEKSA-N 321.340 2.244 50 50 DEGA C/C(=N/NC(=O)CNC(=O)c1cccs1)c1ccccc1 12342857 GLPHGDARGKRWHL-BOPFTXTBSA-N 301.371 2.018 50 50 DEGA COc1nccnc1NNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 131943380 JIVHNNDNODTFAH-GHMZBOCLSA-N 318.764 2.385 50 50 DEGA C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 93837 GJQZCDXNERSHHO-SGEFVQMOSA-N 312.325 2.333 50 50 DEGA Cc1c(-c2ccc(/C=N/NC(N)=O)o2)ccc([N+](=O)[O-])c1C 439849 MYZJGJWHCYRXIH-FRKPEAEDSA-N 302.290 2.474 50 50 DEGA C[C@@](O)(CNC(=O)/C(C#N)=C\C1CC1)c1ccc(F)cc1F 1875365292 CDSLCYHYSGWTCE-BDJZEXMMSA-N 306.312 2.148 50 50 DEGA CO[C@@H]1CCCC[C@@H]1C(=O)NCCSSCCC(=O)O 1875388866 SUQFHXQOXFJQKU-WDEREUQCSA-N 321.464 2.164 50 50 DEGA COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)c(OC)c1 446225 OVDHUFLARBWFPQ-UHFFFAOYSA-N 314.341 2.087 50 50 DEGA COc1ccccc1C(=O)NNC(=O)Nc1ccc(F)cc1F 2167769 XMCPTZYPTMJLGA-UHFFFAOYSA-N 321.283 2.440 50 50 DEGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O 242774 XPLPPZLEYATMBG-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA Cn1ccnc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl 1401587 DRUUYIAHYOWYKC-UHFFFAOYSA-N 319.674 2.244 50 50 DEGA O=C(N/N=C\c1ccccc1O)c1cncc(Br)c1 22343354 UUUBAPFTNGVSNX-APSNUPSMSA-N 320.146 2.314 50 50 DEGA Cc1ccc([C@@H](CNC(=O)[C@@H](C)Cl)N2CCOCC2)s1 1875364460 QWVFJZZIXNOTMO-VXGBXAGGSA-N 316.854 2.173 50 50 DEGA C[C@H](Cl)C(=O)N[C@@H](CC1CCCCC1)[C@H]1COCCO1 1875377731 MHHQEFWBRYKVIQ-FPMFFAJLSA-N 303.830 2.484 50 50 DEGA CCOC(=O)CNC1=C(C#N)C(=O)C[C@@H](c2ccc(C)s2)C1 100783279 IZGLKEVPCLAMFH-NSHDSACASA-N 318.398 2.433 50 50 DEGA CCOC(=O)C1(NC(=O)[C@H](C)Cl)CC2(CC(F)(F)C2)C1 1875369984 ULLOECUKZCYSCU-QMMMGPOBSA-N 309.740 2.241 50 50 DEGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN)=C\c1ccccc1 5018326 ZAJHWQDKBMSTOU-PZAFVPBJSA-N 321.380 2.394 50 50 DEGA O=[N+]([O-])c1ccc([C@H]2OC(C(Cl)Cl)=N[C@@H]2CO)cc1 101356744 OMGSBIRFRRMXTD-RKDXNWHRSA-N 305.117 2.229 50 50 DEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1 2568818 YWLQPNDOBNOBNS-MHWRWJLKSA-N 301.371 2.399 50 50 DEGA Cc1cc(Cl)ccc1NC(=O)NNC(=O)CCCCCO 2143530 HPZKKBPIHNXWDS-UHFFFAOYSA-N 313.785 2.354 50 50 DEGA O=C(CCCC[C@@H]1CCSS1)ON1C(=O)CCC1=O 59086688 WBCUIGFYTHUQHZ-SECBINFHSA-N 303.405 2.308 50 50 DEGA CCOc1cc(/C=N/NC(=O)c2cc(C(C)C)[nH]n2)ccc1O 5686465 YENJMXGCDGCNDB-RQZCQDPDSA-N 316.361 2.401 50 50 DEGA Cc1c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cnn1C 2759590 WDHUYFXQOXSPSS-CQSZACIVSA-N 312.373 2.179 50 50 DEGA COc1nccnc1NNC(=O)C1(c2cccc(Cl)c2)CC1 131872088 WHZLFJFZNTXHIH-UHFFFAOYSA-N 318.764 2.314 50 50 DEGA O=C(COc1cccc(Cl)c1)N/N=C/c1ccc([N+](=O)[O-])o1 137775 XYKOMQZPACSOGS-VIZOYTHASA-N 323.692 2.370 50 50 DEGA COc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)ccc1O 2166246 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Cc1cc(C(=O)N/N=C/c2cccc(Br)c2)[nH]n1 18277027 CQDGAQPHPVMWDE-VGOFMYFVSA-N 307.151 2.245 50 50 DEGA CCn1ncc(/C=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C 17053184 SBYSZDWVCRGIJA-PXNMLYILSA-N 315.333 2.192 50 50 DEGA COC(=O)NNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 158792921 NAWQURFPSYQLHP-UHFFFAOYSA-N 303.293 2.252 50 50 DEGA O=C(N/N=C/c1ccccc1Br)c1cnccn1 228524 QJBFBGQGJYPOAA-FRKPEAEDSA-N 305.135 2.003 50 50 DEGA CCOCCCNC(=O)/C(C#N)=C/c1c[nH]c(C(F)(F)F)c1 253425868 JXQIMWWFLXOFBW-IZZDOVSWSA-N 315.295 2.483 50 50 DEGA C[C@H](Cl)C(=O)N1CCN(c2nc3ccccc3o2)[C@H](C)C1 1875380388 NEBKMPMKUUUFNJ-MNOVXSKESA-N 307.781 2.492 50 50 DEGA COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1OC 554011 KUDAFYXJHDAZIX-MHWRWJLKSA-N 304.371 2.458 50 50 DEGA C[C@H](Cl)C(=O)NCCC(=O)N1c2ccccc2CC[C@H]1C 1875376402 VXLFKFULWRXWQZ-NEPJUHHUSA-N 308.809 2.488 50 50 DEGA CN(C)CCNCCP(=O)(c1ccccc1)c1ccccc1 22034440 DQKFJTINCLUKFT-UHFFFAOYSA-N 316.385 2.152 50 50 DEGA O=C(NNC(=O)c1ccc(Br)o1)c1ccccc1 290797 TWVYNUXQCFRXFR-UHFFFAOYSA-N 309.119 2.117 50 50 DEGA CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc2nc(C)[nH]c2c1 13235919 CVINQQFNDOKJBX-JYRVWZFOSA-N 321.340 2.006 50 50 DEGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)[nH]n1 55756 SSKHHSKNZLXZHH-YBFXNURJSA-N 321.340 2.244 50 50 DEGA CC(=O)Nc1ccc(C(=O)NNc2ncnc3ccccc23)cc1 1775971512 RGENDFSBZGCEPI-UHFFFAOYSA-N 321.340 2.345 50 50 DEGA COc1cccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)c1 5353076 SEDNMCPCMNWZJJ-YBFXNURJSA-N 321.340 2.244 50 50 DEGA CN(N)C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl 261494894 QMNLAUXVVUHWDU-UHFFFAOYSA-N 303.618 2.178 50 50 DEGA CN(C)c1ccc(/C=N/NC(=O)CSc2ccccn2)cc1 195882 ACYZPUAPCIDNPP-WOJGMQOQSA-N 314.414 2.390 50 50 DEGA N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)N1CCOCC1 449502 UXHAVQKOUOFYMX-XYOKQWHBSA-N 310.275 2.471 50 50 DEGA O=C(COc1ccccc1)N/N=C/c1cc2ccccc2[nH]c1=O 2519976 XYYRWVBUDBCPKM-YBFXNURJSA-N 321.336 2.057 50 50 DEGA CC(C)CNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2899318 DRNUOHADRXHHCL-REZTVBANSA-N 316.188 2.216 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccncc2)[C@H]2CSCC=C12 20598204 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N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@@H]2CSCC=C12 19773164 ASBDKQZMUHPGDY-HUUCEWRRSA-N 319.393 2.238 50 50 DEGA Cc1ccccc1OCC(=O)NNC(=S)Nc1ccccc1 65334 FNUWAPZBHWSEAC-UHFFFAOYSA-N 315.398 2.392 50 50 DEGA CC1(C)NC(C)(C)[C@@H](Br)C(=O)[C@H]1Br 59194693 SMSQRKIBWOTIMI-KNVOCYPGSA-N 313.033 2.243 50 50 DEGA in-vitro CN(C)/C(CBr)=C1/N=C(c2ccccc2)OC1=O 4110023 JEIMCYWWUAINBZ-ZHACJKMWSA-N 309.163 2.158 50 50 DEGA Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c(C)c1 18254257 LTKIEVSNEMORIQ-UHFFFAOYSA-N 323.352 2.155 50 50 DEGA O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccc(F)cc1 2900266 DSYWQVOUUSJNIB-GIJQJNRQSA-N 303.268 2.054 50 50 DEGA Cc1ccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)cc1Cl 169744241 SPZUFFVVYTXQBS-UHFFFAOYSA-N 323.972 2.234 50 50 DEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2571831 NJBKQJSYSJDPNQ-XDHOZWIPSA-N 324.384 2.150 50 50 DEGA COc1ccc(OC)c(/C=N/NC(=O)Cc2cccs2)c1 553407 FWTGLRMTQXCGAM-MHWRWJLKSA-N 304.371 2.458 50 50 DEGA C[C@H](Cl)C(=O)N[C@@](C)(C#N)COc1ccc(F)c(F)c1 1875255289 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CCOC(=O)C1(NC(=O)[C@@H](C)Cl)CC2(CC(F)(F)C2)C1 1875369983 ULLOECUKZCYSCU-MRVPVSSYSA-N 309.740 2.241 50 50 DEGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(F)cc2)n[nH]1 232737 SGOWRTWLTMZPGR-VXLYETTFSA-N 309.304 2.375 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1OC 196597 CLRQYEJLDPFVJT-HNNXBMFYSA-N 314.341 2.340 50 50 DEGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1 9275712 MLOKALIBLUEECP-YBFXNURJSA-N 321.340 2.244 50 50 DEGA Cc1ccc(NC(=S)NNC(=O)c2nn(C)cc2Cl)cc1 13470833 NEVRBSQFMPRVKX-UHFFFAOYSA-N 323.809 2.013 50 50 DEGA CCOC(=O)C[C@@H](NC(=O)CCl)c1ccc(F)cc1F 1334874844 WZDCUGWPZJOGTR-LLVKDONJSA-N 305.708 2.314 50 50 DEGA Cn1cc(CN(Cc2cc(F)cc(F)c2)C(=O)CCl)cn1 2325890444 ZTFINRBIHONZBT-UHFFFAOYSA-N 313.735 2.466 50 50 DEGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 9353641 MGSSSKXMZZBIRO-CAOOACKPSA-N 324.296 2.162 50 50 DEGA CC(C)(C)OC(=O)Nc1c(Cl)cc(B(O)O)cc1Cl 585662184 LFCFAVKISHNFNI-UHFFFAOYSA-N 305.954 2.020 50 50 DEGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 12343188 QIOVEBSVFHGHNF-CXUHLZMHSA-N 313.317 2.349 50 50 DEGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cc(-c2ccccc2)n[nH]1 2453943 FAQAQBUWEPUXKA-VCHYOVAHSA-N 322.324 2.252 50 50 DEGA N#C/C(=C\c1ccc2oc(=O)[nH]c2c1)C(=O)c1ccc(O)c(O)c1 14806360 IUGRBTCJEYEDIY-VZUCSPMQSA-N 322.276 2.322 50 50 DEGA O=C(N/N=C/c1cccc(F)c1)C(=O)Nc1ccc(F)cc1 4209265 CGDLJZPTMGKVEJ-GIJQJNRQSA-N 303.268 2.054 50 50 DEGA O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1 3944797 NYBNCWXFISJSRR-UHFFFAOYSA-N 306.325 2.152 50 50 DEGA COCCN/C(COc1ccccc1)=N\NC(=O)OC(C)(C)C 66323361 KAKKCPUGYDEDBD-UHFFFAOYSA-N 323.393 2.140 50 50 DEGA NNC(=O)COc1c(Cl)cc(Cl)cc1-c1ccno1 19863059 NSBQLZDTCYKGFS-UHFFFAOYSA-N 302.117 2.017 50 50 DEGA CP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 2164828 WCWJDBLSRZWRFC-UHFFFAOYSA-N 306.214 2.447 50 50 DEGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccccc1 2566409 GSVUMTXPAHZYEO-LICLKQGHSA-N 301.733 2.429 50 50 DEGA CCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12 8828974 BWHMBTNPHGQSHZ-UHFFFAOYSA-N 314.414 2.241 50 50 DEGA C[C@H](C(=O)O)[C@@H]1NC(=O)[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C 255990268 NNANGMFTFSNDLW-NAKRPEOUSA-N 301.459 2.232 50 50 DEGA O=C(CCn1cnc2ccccc21)N/N=C/c1ccccc1O 551373 UMJWPFBRHSADFB-YBFXNURJSA-N 308.341 2.282 50 50 DEGA Cc1[nH]nc(O)c1CC(=O)N/N=C/c1cccc2ccccc12 18098638 KXCHMIUMTLZXDK-VCHYOVAHSA-N 308.341 2.270 50 50 DEGA O=C(NN=C1CCCC1)C(=O)Nc1ccc(Br)cc1 4954336 QAWMPTNPXPSXAU-UHFFFAOYSA-N 324.178 2.434 50 50 DEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(O)c2)n1 62961 PSMMAIBYTZXFPK-LZYBPNLTSA-N 316.386 2.041 50 50 DEGA O=C(NCCCC[C@H](Br)C(=O)O)c1ccccc1 2166057 FJFPFKONXJAJQH-NSHDSACASA-N 314.179 2.435 50 50 DEGA CCCCCC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6389235 UUSVJKYACSBTGE-UHFFFAOYSA-N 323.418 2.356 50 50 DEGA O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccncc1 56243 XXPTVRMMLKJYAY-GIJQJNRQSA-N 313.382 2.340 50 50 DEGA COc1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 381302 HXSPEUSWTBMNRQ-LICLKQGHSA-N 300.314 2.173 50 50 DEGA COc1cc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)ccc1O 2370865 KGIUMWYKOSBFTL-LZYBPNLTSA-N 302.334 2.011 50 50 DEGA C[C@@H](Cl)C(=O)N1CCO[C@H](COc2ccc(F)c(F)c2)C1 1875377727 MBPWQQYFUUHHMX-KOLCDFICSA-N 319.735 2.198 50 50 DEGA O=[N+]([O-])c1ccc([C@H](O)[C@H]2COC(C(Cl)Cl)=N2)cc1 101356812 IAZXBBCUBWEOCW-BDAKNGLRSA-N 305.117 2.229 50 50 DEGA O=C(NNC(=S)NCc1ccco1)[C@@H]1C[C@H]1c1ccccc1 17053362 RTIUJQGEVFFQBA-UONOGXRCSA-N 315.398 2.079 50 50 DEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccccc1F 2519913 ZNPCOTHKTZGTRL-VXLYETTFSA-N 309.300 2.431 50 50 DEGA COC(=O)N[C@@H]1[C@H](C)C=C[C@@H](C)[C@H]1I 254804525 UHBCANGCONBFBD-FNCVBFRFSA-N 309.147 2.357 50 50 DEGA Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2673480 ZNNRSTQORFRHPR-LICLKQGHSA-N 313.313 2.432 50 50 DEGA Cc1cccc(NC(=O)NNC(=O)c2c(Cl)c(C)nn2C)c1 355794 UWSLZAMQUONYLK-UHFFFAOYSA-N 321.768 2.157 50 50 DEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 2566441 MVMDZOYRMGYXDV-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA Cc1nn(C)cc1NC(=S)NNC(=O)c1ccccc1Cl 2799220 LKLSAIWLBIPMGW-UHFFFAOYSA-N 323.809 2.013 50 50 DEGA CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2C[C@@H]2NC(=O)CCl)C1 1875375754 HNNNAKWFSPQMKW-TUAOUCFPSA-N 316.829 2.377 50 50 DEGA COc1ccc(CC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 440585 HOQHEXFDWUDQEL-WOJGMQOQSA-N 314.341 2.102 50 50 DEGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 34880 UNTMIGZGOAQTEC-OAHLLOKOSA-N 324.336 2.288 50 50 DEGA O=C(N/N=C/c1c[nH]c2c(C(=O)O)cccc12)c1cccnc1 4964469 CIICRXAHLICQDZ-DJKKODMXSA-N 308.297 2.025 50 50 DEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 3008944 XFOAEEQSDGMXEE-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CNC(=O)CCl 1875377491 FWYQJBAHVBGMTP-GHMZBOCLSA-N 304.818 2.235 50 50 DEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2)n1 186478 OXOSOESPSBUVIL-CXUHLZMHSA-N 300.387 2.336 50 50 DEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 381629 NENHGZRGGNRVJJ-CXUHLZMHSA-N 315.333 2.018 50 50 DEGA N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@@H]1c1cccnc1 5024342 CZROOLKGPPWQSJ-MRVPVSSYSA-N 307.235 2.042 50 50 DEGA C[C@@H](Oc1ccccc1)C(=O)NNC(=S)NC1CCCCC1 28632886 AFCNARTZGSTIMX-GFCCVEGCSA-N 321.446 2.282 50 50 DEGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(F)cc1 4229123 QQUHXTUMTXKSFB-VXLYETTFSA-N 309.300 2.431 50 50 DEGA NNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 2568625 ZWHFGUFOCMBRPL-UHFFFAOYSA-N 314.238 2.426 50 50 DEGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)c1 230138 YSXQDLFXAKCTNP-LICLKQGHSA-N 310.313 2.442 50 50 DEGA O=C(N/N=C/c1ccc(O)cc1O)c1ccc2ccccc2n1 434142 KIKSJDFCMNOCAH-VCHYOVAHSA-N 307.309 2.410 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1O 1738134 PGJWMLRUKAONSY-LICLKQGHSA-N 300.314 2.173 50 50 DEGA Cc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 260048 VOILCDWKWDGESI-LICLKQGHSA-N 313.313 2.432 50 50 DEGA Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)c1 3148627 YHNQVQMPRAZAKS-LZYBPNLTSA-N 317.301 2.334 50 50 DEGA Cc1ccc(C(O)(C(=O)N(C)N(C)C)c2ccc(C)cc2)cc1 613114 VIMAFZSNBNNWCR-UHFFFAOYSA-N 312.413 2.474 50 50 DEGA Cc1cc(C)n(CC(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)n1 1875390459 XHZUJUSMWHMRPW-LVENCJQHSA-N 300.406 2.428 50 50 DEGA COc1cccc(/C=N/NC(=O)Cc2cccs2)c1OC 553361 QWLXQAHXPNYDPD-MHWRWJLKSA-N 304.371 2.458 50 50 DEGA COc1ccc(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)cc1 2553475 BZCUGRSLKHQOGU-ULKOKDFMSA-N 323.352 2.449 50 50 DEGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)c(O)c1 6493422 GDOZRPJUBBRPNX-LICLKQGHSA-N 315.377 2.034 50 50 DEGA Cc1cc(NNC(=O)C2(c3ccccc3F)CC2)nc(C)n1 128832616 VQGZGONOGCQIBG-UHFFFAOYSA-N 300.337 2.407 50 50 DEGA O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NNc1cccc(-c3cccnc3)n1)C2 1875297300 KBLNSDDQEXMXHG-IACUBPJLSA-N 322.368 2.202 50 50 DEGA CO[C@H]1CCCC[C@H]1C(=O)NCCSSCCC(=O)O 1875388864 SUQFHXQOXFJQKU-MNOVXSKESA-N 321.464 2.164 50 50 DEGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)o1 4210879 ISZSHYZKGKDJIZ-QGMBQPNBSA-N 319.748 2.122 50 50 DEGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 4302908 JQSQIHXYFCMSSG-KEBDBYFISA-N 313.332 2.014 50 50 DEGA O=C(N[C@H](O)C(Cl)Cl)c1ccc(Br)cc1 374211 DPJHWEUMLQHQKD-SECBINFHSA-N 312.978 2.301 50 50 DEGA C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccco1 246332 HDNMHMYABKYDPV-LFIBNONCSA-N 317.301 2.415 50 50 DEGA CN(NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 749402992 WCDQWMSEVHDCBI-KRWDZBQOSA-N 324.428 2.461 50 50 DEGA CC(/C=N/NC(=O)c1ccccc1)=N/NC(=O)c1ccccc1 16512778 AFGAFNSJBJTVNH-LOEKEGPCSA-N 308.341 2.208 50 50 DEGA COc1cc(/C=N/NC(=O)Cc2cccs2)cc(OC)c1 8446786 YHBNNSNFIOOGCD-MHWRWJLKSA-N 304.371 2.458 50 50 DEGA Cc1cc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)[nH]n1 586761 JZOYIQFUFXZYGX-UHFFFAOYSA-N 320.352 2.460 50 50 DEGA Cc1cc(C(=O)NNc2cccnn2)c(C)n1-c1cccnc1 1875259327 JQOASWDCGPDBIR-UHFFFAOYSA-N 308.345 2.036 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccco2)c(OC)c1OC 381419 UFVIDOCKOMHJRX-CXUHLZMHSA-N 304.302 2.069 50 50 DEGA CCn1nc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C 372261 RRWAZOGBVAKLEE-HNNXBMFYSA-N 312.373 2.335 50 50 DEGA C[C@H](Cl)C(=O)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 1875377768 NBRIEBOYYWDORP-STQMWFEESA-N 305.809 2.391 50 50 DEGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(F)(F)F)c1 4810456 LUAKUMNSOUNOCG-UHFFFAOYSA-N 318.295 2.207 50 50 DEGA O=C(NCC(=O)N1CCc2ccccc21)C1CCC(Cl)CC1 952994609 RJQJMZKDGBTKAN-UHFFFAOYSA-N 320.820 2.490 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccco2)cc(OC)c1OC 381417 UGAKHFMJBNRTLP-CXUHLZMHSA-N 304.302 2.069 50 50 DEGA Cc1ccc([C@H](NC(=O)[C@@H](C)Cl)[C@H](C)S(C)(=O)=O)cc1 1875379965 AMQCVMKARREHRE-NTZNESFSSA-N 317.838 2.213 50 50 DEGA O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 143422 HMKORZHONFIOSC-UHFFFAOYSA-N 319.704 2.323 50 50 DEGA O=C(CCc1ccc(O)cc1)N/N=C\c1ccc2c(c1)OCO2 31717388 NRGKBSPQRRPUSV-ZDLGFXPLSA-N 312.325 2.204 50 50 DEGA O=C(/C=C/c1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1 437777 IKFULVTWANEYQR-MDZDMXLPSA-N 311.297 2.069 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 43656 QQJBINHJTREUDV-AWEZNQCLSA-N 302.305 2.470 50 50 DEGA COc1cc(NC(=O)CCBr)ccc1NC(C)=O 2141577 CIUIRWHIDZDGJQ-UHFFFAOYSA-N 315.167 2.377 50 50 DEGA O=C(NNC(=O)[C@@H](O)c1ccccc1)Nc1ccccc1Cl 17055126 MDSCVLBWJSWPRI-ZDUSSCGKSA-N 319.748 2.226 50 50 DEGA CC1(C)O[C@@H](C=O)[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)O1 169989500 XNPICRPLWJBSLX-GRYCIOLGSA-N 304.459 2.088 50 50 DEGA in-vitro CCn1c(NNC(=O)c2cccs2)nc2ccccc2c1=O 9482812 BUFVGMVXZCDZCB-UHFFFAOYSA-N 314.370 2.235 50 50 DEGA CC(C)(C)NC(=S)NNC(=O)c1ccc2ncccc2c1 13571586 KKRPKYIJVUVTNG-UHFFFAOYSA-N 302.403 2.142 50 50 DEGA COc1ccc(O)c(/C=N/NC(=O)CSc2ccccn2)c1 58335 GCMDFYOYWTZQAW-RQZCQDPDSA-N 317.370 2.038 50 50 DEGA O=C(Cc1cccc(Cl)c1)N/N=C1\C(=O)Nc2ccccc21 3135687 CWXXXYSYPJDHQI-UHFFFAOYSA-N 313.744 2.355 50 50 DEGA N#C/C(=C/N1CCN(c2ccccn2)CC1)C(=O)c1ccccc1 5772582 ACAXYUYCQNMZSG-ICFOKQHNSA-N 318.380 2.494 50 50 DEGA N#C/C(=C/c1cccc2[nH]nc(C(=O)O)c12)C(=O)NC1CCCC1 585138723 MVSNKWHWCQIVDQ-FLIBITNWSA-N 324.340 2.227 50 50 DEGA COc1cc(Br)cc(/C=C(\C#N)C(=O)O)c1OC 2546576 HNBUSGDSYMZDEY-FPYGCLRLSA-N 312.119 2.458 50 50 DEGA O=C(N/N=C\c1ccc[nH]1)[C@H]1COc2cc3ccccc3cc2O1 32614478 IBOPUCMWRHFOJK-GTNUZRKBSA-N 321.336 2.458 50 50 DEGA Cc1c([C@@H](C)NC(=O)CCl)cnn1-c1ccc(C#N)cc1 1875363769 ZBOKWZYHIJWETE-SNVBAGLBSA-N 302.765 2.468 50 50 DEGA C[C@@H](Cl)C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 1875380493 QQHCRRRBRVNTQB-SFYZADRCSA-N 309.719 2.208 50 50 DEGA COc1ccc(C(=O)N/N=C2\C(=O)N(C)c3c(C)cccc32)cc1 5730757 RAVLNOVEZOBUMD-CYVLTUHYSA-N 323.352 2.114 50 50 DEGA CC[C@H](Oc1ccc(Br)cc1Cl)C(=O)NN 6596264 MYNXZSVTTJKZTP-QMMMGPOBSA-N 307.575 2.250 50 50 DEGA COCc1cc(C)nc2sc(C(=O)NN)c(-n3cccc3)c12 118974 FFDJBIILJUKIRK-UHFFFAOYSA-N 316.386 2.145 50 50 DEGA O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1Cl 2892410 CVHVKUDKSGEESF-YBFXNURJSA-N 315.760 2.107 50 50 DEGA CCc1n[nH]c(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c1C 5314304 SJIZNSNPDYUVGW-MHWRWJLKSA-N 315.333 2.343 50 50 DEGA CO[C@@H](C(=O)NNC(=O)c1ccccc1Cl)c1ccccc1 2965596 QHOUREZQZFRAEO-CQSZACIVSA-N 318.760 2.489 50 50 DEGA O=C(CSc1ncccn1)N/N=C/c1cccc(Cl)c1 233698 KJIKZGFQTWVBEQ-CAOOACKPSA-N 306.778 2.372 50 50 DEGA Cc1cc(NC(=O)c2cc3ncc(CCCl)cn3n2)no1 374100 VMQPDDUWPLARMC-UHFFFAOYSA-N 305.725 2.059 50 50 DEGA O=C(NNc1ncccc1Cl)c1csc(-c2ncc[nH]2)n1 1650808211 VCESFRRILRMIBJ-UHFFFAOYSA-N 320.765 2.339 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 42476 HZGLSRRJJPBBEW-OAHLLOKOSA-N 314.341 2.340 50 50 DEGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1O 69900 CYUCOXMWXGGJJF-HNNXBMFYSA-N 312.325 2.216 50 50 DEGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(N)=O 446148 ULLJUVOMIUHYAV-ZROIWOOFSA-N 315.336 2.327 50 50 DEGA O=C(CSc1ccccn1)N/N=C/c1ccccc1[N+](=O)[O-] 291380 NVBFQJULHYJSDH-CXUHLZMHSA-N 316.342 2.232 50 50 DEGA OB(O)c1cc(OCc2ccccc2)cc(C(F)(F)F)c1F 169955177 OMODPVQWZOGPCV-UHFFFAOYSA-N 314.043 2.103 50 50 DEGA COc1nccnc1NNC(=O)C1(c2ccc(Cl)cc2)CC1 131809965 TVCCKEQTMNWUOM-UHFFFAOYSA-N 318.764 2.314 50 50 DEGA COC(=O)[C@H]1c2ccccc2C2(CC2)CN1C(=O)[C@H](C)Cl 1875368057 MSEFSQPEPIDROC-GXFFZTMASA-N 307.777 2.402 50 50 DEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(O)cc2)n1 186483 UWXVSDGYBQUQAY-LZYBPNLTSA-N 316.386 2.041 50 50 DEGA COc1cc(/C=N/NC(=O)CCc2ccc(O)cc2)ccc1O 2163651 ZVAVLZGHCIHELY-WOJGMQOQSA-N 314.341 2.189 50 50 DEGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(C)=O)cc2)cc1 4261072 JBMYYYRRWXOYCQ-WOJGMQOQSA-N 312.325 2.384 50 50 DEGA COc1ccc(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)cc1OC 9339588 WTSYWHCZEGLDEK-RQZCQDPDSA-N 314.345 2.068 50 50 DEGA N#C/C(=C\c1ccccc1OCC(N)=O)c1nc2ccccc2[nH]1 4977969 IOLJAGOANPBOKB-UKTHLTGXSA-N 318.336 2.491 50 50 DEGA Cn1cccc1CC(=O)N/N=C/c1ccc(Br)cc1 4898970 MQYLGYVFWMEXJO-MHWRWJLKSA-N 320.190 2.480 50 50 DEGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(F)cc2)cc1 4335629 ZBOARQFCSYJKPV-KEBDBYFISA-N 313.332 2.014 50 50 DEGA O=C1O[C@H]2C[C@@]34CC=CC[C@]3(C[C@@H]2I)[C@H]14 254924733 ZWDXKNRAQJPUHJ-DWFQIMNCSA-N 316.138 2.462 50 50 DEGA COc1cc(/C(C)=N/NC(=O)c2cc(C3CC3)[nH]n2)ccc1O 17015953 FILPIMLXKRCJGB-RQZCQDPDSA-N 314.345 2.155 50 50 DEGA O=C(CCl)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 1320465388 HSGDTRHQWXDAMM-VIFPVBQESA-N 320.698 2.166 50 50 DEGA O=C(O)c1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1 4018249 VKRNBCJXJNGFBI-UHFFFAOYSA-N 301.258 2.050 50 50 DEGA COc1nccnc1NNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 131943746 JIVHNNDNODTFAH-WDEREUQCSA-N 318.764 2.385 50 50 DEGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 2892320 LETHRIYYGXKSKE-LZYBPNLTSA-N 314.172 2.066 50 50 DEGA O=[N+]([O-])c1ccc([C@@H]2OC(C(Cl)Cl)=N[C@H]2CO)cc1 101356746 OMGSBIRFRRMXTD-IUCAKERBSA-N 305.117 2.229 50 50 DEGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccccn1 536004 XXJJNBDVOHUKAT-RNDVCUHJSA-N 307.357 2.218 50 50 DEGA COc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1O 381569 BKAZFQDSKQCBQC-RQZCQDPDSA-N 316.361 2.185 50 50 DEGA N#CC1=C(N)OC2=C([C@H]1c1ccc(F)cc1)S(=O)(=O)CCC2 606422298 HEEOOQVAMQKPLZ-ZDUSSCGKSA-N 320.345 2.054 50 50 DEGA C=CCOc1ccc(/C=N/NC(=O)c2snnc2C)cc1 5792597 NKUCDBFWPKUPKA-OQLLNIDSSA-N 302.359 2.175 50 50 DEGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1 3081071 ABOHGVDSCDDOIW-CAOOACKPSA-N 321.789 2.282 50 50 DEGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccnc1 179229 VNXMFSBKKTXLQU-RQZCQDPDSA-N 311.370 2.200 50 50 DEGA O=C(NNc1cnccn1)c1ccc(OC(F)(F)Cl)cc1 194874635 PHGRLTRELQVNDY-UHFFFAOYSA-N 314.679 2.401 50 50 DEGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1 3073545 KXBQEHTXWSBAAW-KEBDBYFISA-N 324.315 2.396 50 50 DEGA N#C/C(C(=O)Nc1cccnc1)=C(/N)C(Cl)(Cl)Cl 1776111422 VZGMKCBCIHONKC-FPLPWBNLSA-N 305.552 2.127 50 50 DEGA CN(C)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59562 NQDMXPDREPCZRH-GZTJUZNOSA-N 312.329 2.425 50 50 DEGA O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 260242 TUPGJJNJUBDDCW-MRXNPFEDSA-N 310.353 2.294 50 50 DEGA C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCl)C1=O 1875375255 WKQBNPUQPQCHQI-GXFFZTMASA-N 312.772 2.233 50 50 DEGA CCCCN(CCCC)C(=O)c1ccc(Cl)c(B(O)O)c1 169744425 OLXCEHCUIVFSRW-UHFFFAOYSA-N 311.618 2.062 50 50 DEGA Cc1ccc(Cl)cc1NC(=O)c1ccc(B(O)O)c(Cl)c1 169744048 DWPURLCYCGATGI-UHFFFAOYSA-N 323.972 2.234 50 50 DEGA NNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 35753 OKBFZOQFFKBUAJ-UHFFFAOYSA-N 321.262 2.019 50 50 DEGA COc1nccnc1NNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 131943964 JIVHNNDNODTFAH-QWRGUYRKSA-N 318.764 2.385 50 50 DEGA C[C@H](NS(=O)(=O)CCCCl)c1ncc(C(F)(F)F)[nH]1 1776006302 UBSSSTRXCWVMPK-LURJTMIESA-N 319.736 2.038 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccccc2OC)c(OC)c1 432926 MHDHPCWHGLLZFO-WOJGMQOQSA-N 314.341 2.476 50 50 DEGA Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 3148163 ZUVLPPXKILKNRA-VCHYOVAHSA-N 312.325 2.222 50 50 DEGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 201319 ZNANXBILPQPJEF-ZDUSSCGKSA-N 316.263 2.445 50 50 DEGA O=C(N/N=C\c1cccc2ccccc12)c1ccc(CO)nc1 4964397 ISYUCWVZQXQSKR-JAIQZWGSSA-N 305.337 2.491 50 50 DEGA COc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 9354594 JDYREAOIIJFTHD-YBFXNURJSA-N 321.336 2.301 50 50 DEGA Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccoc2C)c1 516411 YRCGXLUAWSVXBD-UHFFFAOYSA-N 302.330 2.045 50 50 DEGA Cc1cc(=O)n(C)c(=O)n1CCCCCCCBr 2566467 YNSJXUSLVUHQGH-UHFFFAOYSA-N 317.227 2.201 50 50 DEGA C[C@@H](Cl)C(=O)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl 1875377449 DVKAOZYGXDEOTB-HQJQHLMTSA-N 319.163 2.106 50 50 DEGA N#CC1=C(N)[C@](C#N)(c2cccnc2)[C@H](C#N)[C@@H]2CCCC=C12 19827360 FTMSZMYDZCTLFS-QGPMSJSTSA-N 301.353 2.459 50 50 DEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(F)cc2)n1 5541507 LYJHBAPHSDTHBZ-CAOOACKPSA-N 318.377 2.475 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)[C@@H]2COCC=C12 20000449 SAGQKLDBTNMTGA-HZPDHXFCSA-N 320.327 2.266 50 50 DEGA C[C@@H](Cl)C(=O)N[C@@H]1CCO[C@H]1c1nccn1-c1ccccc1 1875380680 WCYKPQBEQIJWHV-MRVWCRGKSA-N 319.792 2.446 50 50 DEGA Cc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1 232666 HLDJRHKYZFZONF-WOJGMQOQSA-N 307.357 2.488 50 50 DEGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 1954250 BOJRDHHPHLHWPU-OQLLNIDSSA-N 314.257 2.267 50 50 DEGA COc1ccc(C)cc1NC(=O)NNC(=O)Cc1ccccc1 2166305 WRQCSIFHQCHJIP-UHFFFAOYSA-N 313.357 2.399 50 50 DEGA COc1ccc(OC)c([C@@H]2CC(=O)NC(SC)=C2C#N)c1 178153 QQTQWEXHIMBIPQ-JTQLQIEISA-N 304.371 2.405 50 50 DEGA COc1ccccc1OC(=O)NC(=O)CCBr 2973389 NWVRCJDEZWOJSD-UHFFFAOYSA-N 302.124 2.095 50 50 DEGA C[C@H](Cl)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 1875378177 WQXGCEUKJGVXCU-XVKPBYJWSA-N 322.213 2.254 50 50 DEGA Cc1cc(C(=O)N/N=C/c2ccccc2Br)[nH]n1 263826 HBWCUXSUCCPVSF-VGOFMYFVSA-N 307.151 2.245 50 50 DEGA N#CSCCCNS(=O)(=O)c1cnc2ccsc2c1 585114823 BJUCSFFQRIUTJN-UHFFFAOYSA-N 313.429 2.179 50 50 DEGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C)cc1 2571758 UPNJADARKXTWLF-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA COc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1O 32606229 XQGBGILKBGPXEB-GRSHGNNSSA-N 313.357 2.271 50 50 DEGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 81443 ZXVCWIJPEYMWAJ-HNNXBMFYSA-N 308.297 2.395 50 50 DEGA Cc1ccc(/C=N/NC(=O)CCn2nnc3ccccc32)cc1 252574 LWKISDBRDKNNDZ-LDADJPATSA-N 307.357 2.280 50 50 DEGA O=C(CCl)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 1875376566 BCWFPZRVAFBTPG-QSLWVIQJSA-N 312.841 2.205 50 50 DEGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccccn1 227893 VMUOWOFNRPSKQV-LZYBPNLTSA-N 320.146 2.314 50 50 DEGA C[C@@H](O)CC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 2854926 ZYONPQBATPRQSK-ZCFIWIBFSA-N 322.217 2.082 50 50 DEGA CNC(=O)NNC(=O)c1ccccc1Sc1ccccc1 225417913 ULGKIJIGICBSQM-UHFFFAOYSA-N 301.371 2.412 50 50 DEGA COc1nccnc1NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 132097479 YSTQBHVNJHGMOZ-DTWKUNHWSA-N 320.299 2.010 50 50 DEGA O=C(CN1CCCCC1)N/N=C/c1ccccc1Br 4955992 GTZCGDVJMOPCIN-MHWRWJLKSA-N 324.222 2.385 50 50 DEGA Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NN=C1CCCCC1 6189089 MEJFZLVEVXPXOC-UHFFFAOYSA-N 318.333 2.278 50 50 DEGA NC(=O)N/N=C1/C=C(c2ccccc2)[C@](O)(c2ccccc2)C1 15906690 XQEXACNRESQTEA-CTBJKRMSSA-N 307.353 2.386 50 50 DEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1951850 PCMMDLAUDYHFMF-OQLLNIDSSA-N 314.257 2.267 50 50 DEGA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@@H](C)Cl)C1 1875366365 DACFTEMWDSXDAG-ZYHUDNBSSA-N 315.870 2.359 50 50 DEGA Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)CCl 1875377583 HUOHJEDQWAWMHX-MWLCHTKSSA-N 305.769 2.407 50 50 DEGA O=C1O[C@@H](CCl)CN1c1ccc(N2CCOCC2)c(F)c1 35824079 IZNZPAMEUUTJRA-NSHDSACASA-N 314.744 2.226 50 50 DEGA in-vitro O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cnccn1 1864285 UEADAWQSJOWXBK-UHFFFAOYSA-N 322.303 2.174 50 50 DEGA in-vivo CCOC(=O)C[C@H](NC(=O)CCl)c1ccc(F)cc1F 1333220190 WZDCUGWPZJOGTR-NSHDSACASA-N 305.708 2.314 50 50 DEGA COc1cccc(/C=N/NC(=O)COc2ccccc2OC)c1 510871 RVXATPOBOMKZPP-WOJGMQOQSA-N 314.341 2.233 50 50 DEGA COc1cccc(/C=N/NC(=O)c2c(C)nc3sccn23)c1 275037 XESMBCJVICMBOH-CXUHLZMHSA-N 314.370 2.477 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O 12403587 OXSAGPQYRIRXKQ-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA O=C(NNc1cccc(Cl)n1)c1ccccc1CC[N+](=O)[O-] 1385848 LTXWDWPZWRRTLB-UHFFFAOYSA-N 320.736 2.311 50 50 DEGA COC(=O)COc1ccc(OCCCBr)cc1 253532803 BBYFJEVJPKOJGG-UHFFFAOYSA-N 303.152 2.402 50 50 DEGA O=C(CNC(=O)c1ccccc1)N/N=C/C=C/c1ccccc1 4989742 ALRGMCVAKBCSQL-ADCWSOHQSA-N 307.353 2.232 50 50 DEGA O=C1O[C@H]2C[C@@]34CC=CC[C@]3(C[C@@H]2I)[C@@H]14 254924732 ZWDXKNRAQJPUHJ-DDLVRULKSA-N 316.138 2.462 50 50 DEGA COC(=O)CNC1=C(C#N)C(=O)C[C@@H](c2ccc(C)s2)C1 100783288 ZJWQSBGRPJHKNS-JTQLQIEISA-N 304.371 2.043 50 50 DEGA O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 36237463 GGZHUQVBDJZZFG-LZYBPNLTSA-N 303.249 2.203 50 50 DEGA CCOc1cc(/C=C(\C#N)C(=O)NCc2cccnc2)ccc1O 13124239 HJZQXJOCSWICAN-OVCLIPMQSA-N 323.352 2.409 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1OC 262842 XXUGVLSCOJVOQA-LICLKQGHSA-N 300.314 2.173 50 50 DEGA O=C(NNC(=O)C1CCC(Cl)CC1)c1cccc(Cl)n1 1347108376 GXZWPUMRVLAVIV-UHFFFAOYSA-N 316.188 2.294 50 50 DEGA Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCl 1324707418 WEFFPNVGOWQDJE-UHFFFAOYSA-N 312.822 2.361 50 50 DEGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 283404 YSCLEJXHKFMINQ-MRXNPFEDSA-N 323.352 2.460 50 50 DEGA CC1(C)OB(c2ccc(/C=C(\C#N)C(=O)O)c(F)c2)OC1(C)C 170006531 DAFRWECFTQGRLX-YRNVUSSQSA-N 317.125 2.116 50 50 DEGA Cc1ccc(S(=O)(=O)OCCSSCCO)cc1 258830422 GJNYSBAUKADEHY-UHFFFAOYSA-N 308.446 2.074 50 50 DEGA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)Cl)n1C 1875380757 YQWZYFNBBPPOAQ-PWSUYJOCSA-N 311.813 2.066 50 50 DEGA Cc1cnc([C@@H](C)N2CCN(C(=O)[C@@H](C)Cl)CC2)s1 1875366374 DZCQRCCWMLFTPD-GHMZBOCLSA-N 301.843 2.284 50 50 DEGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccco1 4372591 FSDXEUVUQACVCK-KXUVPBGPSA-N 303.274 2.105 50 50 DEGA O=C(Cc1ccccc1Cl)N/N=C1/C(=O)Nc2ccccc21 2380886 VFXVIKGWSLDORK-UHFFFAOYSA-N 313.744 2.355 50 50 DEGA C=CCn1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1 67604647 PNNCBTMEPAMYDZ-GFCCVEGCSA-N 324.388 2.308 50 50 DEGA O=C(CCC1CCCCC1)NNC(=S)NC[C@@H]1CCCO1 6644866 XYWIWKGLRFCASX-ZDUSSCGKSA-N 313.467 2.021 50 50 DEGA O=C(CBr)NCc1ccc(Br)cc1 82506084 XNQHQAIQNUYJGI-UHFFFAOYSA-N 306.985 2.460 50 50 DEGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 12343110 VPLHPUAPWNLBBF-RKPNYOAGSA-N 302.355 2.428 50 50 DEGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1cccc([N+](=O)[O-])c1 5033486 UGJJWAAAPBKCQF-CXUHLZMHSA-N 313.317 2.349 50 50 DEGA CC(C)(C)OC(=O)Nc1cc(B(O)O)cc(Cl)c1Cl 228984058 UPWOTUZQOOTYIL-UHFFFAOYSA-N 305.954 2.020 50 50 DEGA CCOC(=O)[C@@H](CC)C(C)=NNC(=O)c1ccccc1[N+](=O)[O-] 254855313 MQWSXNZOEWFCAT-NSHDSACASA-N 321.333 2.290 50 50 DEGA N#Cc1cccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 170620058 DHTDLWKCDDDILB-WOJGMQOQSA-N 308.297 2.159 50 50 DEGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccccn1 536002 XXJJNBDVOHUKAT-NPNVKNKFSA-N 307.357 2.218 50 50 DEGA CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1O 505862 YJLAUYCQYSEDOP-WOJGMQOQSA-N 314.341 2.320 50 50 DEGA C/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccncc1 4611154 CQQMVUHYGREDHS-DEDYPNTBSA-N 322.368 2.362 50 50 DEGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1Cl 2566413 BJODQLGLGLLRQQ-LICLKQGHSA-N 301.733 2.429 50 50 DEGA COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OC)cc1 1741098 NITMQQUPFOBIJF-WOJGMQOQSA-N 314.341 2.476 50 50 DEGA Cc1cc(NNC(=O)[C@@H]2C[C@H]2c2ccccc2F)nc(C)n1 128663335 PPVQTCVCSLULBB-QWHCGFSZSA-N 300.337 2.479 50 50 DEGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)N1CCCC1 2936733 ZFFSPQQWMXXAMB-LZYBPNLTSA-N 314.172 2.066 50 50 DEGA CC(C)[C@H]1CN(CC(F)(F)F)CCN1C(=O)[C@@H](C)Cl 1875365111 NNFIRORTOPUVJM-NXEZZACHSA-N 300.752 2.345 50 50 DEGA OB(O)c1c2ccccc2c(Br)c2ccccc12 169877051 FAVOIVPFJSKYBE-UHFFFAOYSA-N 300.948 2.435 50 50 DEGA in-vitro COc1ccc(OC)c(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)c1 5817907 QDCJTQNWIPAZAI-RQZCQDPDSA-N 314.345 2.068 50 50 DEGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(C(=O)O)cc1 32606401 AJQNOKZDIBUPAX-GRSHGNNSSA-N 311.341 2.255 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccoc2C)cc(OC)c1O 232421 YVABMRGONYJDHK-LZYBPNLTSA-N 304.302 2.075 50 50 DEGA O=C(N/N=C/c1ccccc1Cl)c1cc(O)c(O)c(O)c1 253287 GNNARZPMVVADHF-FRKPEAEDSA-N 306.705 2.221 50 50 DEGA O=C(CCl)NCCCc1nnc(C2CC2)n1-c1ccccc1 1875377245 WKAUMXIDCAWJAZ-UHFFFAOYSA-N 318.808 2.432 50 50 DEGA CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCl 1323269015 ISRBIVOJYNBFNH-UHFFFAOYSA-N 307.680 2.214 50 50 DEGA Cc1nc2sccn2c1C(=O)N/N=C/c1ccccc1O 48402 LXINPBYIPICKFG-OVCLIPMQSA-N 300.343 2.174 50 50 DEGA O=C(CCl)NCc1cc(C(=O)c2ccccc2)ccc1O 784092 LFHJJWCZXLADLA-UHFFFAOYSA-N 303.745 2.478 50 50 DEGA CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)c1ccccc1 100497678 VERUCXVHCBUOEW-FOWTUZBSSA-N 320.352 2.228 50 50 DEGA COc1cc(OC)c2cc(CCCNC(=O)CCl)[nH]c2c1 1324706548 MGWVOUXWTOKPFK-UHFFFAOYSA-N 310.781 2.473 50 50 DEGA C[C@H](C(=O)N/N=C/c1ccccc1F)n1nnc2ccccc21 124603 LMNXQVVWVINWAW-VDCVXVNISA-N 311.320 2.282 50 50 DEGA O=C(CCl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 874237 QHAJTECGVSGDCU-UHFFFAOYSA-N 316.810 2.039 50 50 DEGA C[C@](O)(CNC(=O)/C(C#N)=C\C1CC1)c1ccc(F)cc1F 1875365291 CDSLCYHYSGWTCE-BCTQVIJGSA-N 306.312 2.148 50 50 DEGA COC(=O)c1nc([C@H]2CCCN2C(=O)[C@@H](F)Cl)sc1C 2325898733 XROXBVMWKOTALQ-VXNVDRBHSA-N 320.773 2.436 50 50 DEGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1O 69903 CYUCOXMWXGGJJF-OAHLLOKOSA-N 312.325 2.216 50 50 DEGA O=[N+]([O-])c1ccc([C@@H](O)[C@@H]2COC(C(Cl)Cl)=N2)cc1 95722232 IAZXBBCUBWEOCW-DTWKUNHWSA-N 305.117 2.229 50 50 DEGA C[C@H](C(=O)O)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 196053819 NNANGMFTFSNDLW-LNFKQOIKSA-N 301.459 2.232 50 50 DEGA CC(C)CO[C@H](C)c1noc(CN(C)C(=O)[C@@H](C)Cl)n1 1875364598 XLMZAXBQSPDWDH-NXEZZACHSA-N 303.790 2.389 50 50 DEGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccco1 186314 FALLSQZWJVANIS-OVCLIPMQSA-N 300.343 2.398 50 50 DEGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1 3061707 KVJBGSXGKGKXGT-LDADJPATSA-N 311.341 2.174 50 50 DEGA C[C@@H]1OCC[C@H]1C(=O)N/N=C/c1cn(CCC#N)c2ccccc12 2325754771 WAEGFZFWCCSLOS-QOPFQTDQSA-N 324.384 2.430 50 50 DEGA C[C@H](CC(=O)NCCSSCCC(=O)O)[C@@H]1CCCO1 1875388447 BIEZGLRVTMIDNB-MNOVXSKESA-N 321.464 2.164 50 50 DEGA COc1cc(OC)cc(OCCCNC(=O)[C@@H](C)Cl)c1 1875364105 DOAWOEJXKHGHKX-SNVBAGLBSA-N 301.770 2.216 50 50 DEGA COc1ccccc1C(=O)NNC(=S)Nc1ccccc1 13496950 XQCTZGFPBCDRSW-UHFFFAOYSA-N 301.371 2.327 50 50 DEGA O=C(CCl)N[C@@H]1COc2cc(F)c(Br)cc21 1875374670 CFQOCXYNJJICCG-MRVPVSSYSA-N 308.534 2.377 50 50 DEGA Cn1cccc1-c1cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]n1 8560163 IVIPHGIMXHDWBO-VCHYOVAHSA-N 311.320 2.318 50 50 DEGA CCOC(=O)/C(CSc1ccc(Cl)cc1)=N\NC(N)=O 8729722 PPNOOJMKIGOUHV-GDNBJRDFSA-N 315.782 2.020 50 50 DEGA CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Cl)c2ccc(F)cc2C1 1875378017 UCMIWXWXYLZNGI-YMTOWFKASA-N 312.772 2.363 50 50 DEGA CC(C)c1cc(C(=O)NNC(=S)Nc2ccccc2)n[nH]1 1857525977 AGAGCBWZFPQZPC-UHFFFAOYSA-N 303.391 2.165 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(O)cc1 90877 NMAFIHJVWYYFSX-CQSZACIVSA-N 300.314 2.037 50 50 DEGA COc1ccc(C)cc1NC(=O)NNC(=O)c1ccoc1C 610252 MTZGNFBSZOVVEV-UHFFFAOYSA-N 303.318 2.372 50 50 DEGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ccc([N+](=O)[O-])cc1 4992248 HLZBHPXVFSDGMM-UHFFFAOYSA-N 316.273 2.189 50 50 DEGA N#CC(=C=N)C1=C(C#N)[C@@H](c2ccccc2Cl)C(C#N)=C(N)N1 136173719 DITSUOXCMPCXMJ-CQSZACIVSA-N 320.743 2.197 50 50 DEGA CCC[C@@H](O)CN(Cc1cccc2c1OCC2)C(=O)CCl 1875382325 YCMDXTLXDXNKDU-CQSZACIVSA-N 311.809 2.350 50 50 DEGA O=C(NNc1ncnc2ccccc12)c1cc(-c2ccco2)[nH]n1 1775971534 SXAFAECBNNNKLO-UHFFFAOYSA-N 320.312 2.370 50 50 DEGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccncc1 36195 YSEIMMXFCQXESG-CQSZACIVSA-N 317.304 2.406 50 50 DEGA O=C(NNc1nccnc1Cl)C1(c2cccc(F)c2)CC1 115713642 BSMLNFPNYXWOLO-UHFFFAOYSA-N 306.728 2.444 50 50 DEGA C[C@H](OC1CCCC1)C(=O)NCCSSCCC(=O)O 1875388718 NRAWAGWMDUYPEA-JTQLQIEISA-N 321.464 2.306 50 50 DEGA CCCN1C[C@H](CN(CC(C)(C)C)C(=O)CCl)CC1=O 1875374166 DAYNYVAOGKPWSO-GFCCVEGCSA-N 302.846 2.358 50 50 DEGA O=C(N/N=C/c1cccs1)[C@@H]1CC(=O)N(c2ccccc2)C1 448567 QWLKMIKMDIXLJB-YXHQGMJNSA-N 313.382 2.251 50 50 DEGA O=C(N/N=C/c1c(F)cccc1Cl)c1n[nH]c2c1CCC2 8837699 LNUBRAWFVQCXTK-REZTVBANSA-N 306.728 2.455 50 50 DEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@H]3CC=CCC3)[C@H]2C1 106230696 DQFDQQWZTQYENU-RRQGHBQHSA-N 319.412 2.230 50 50 DEGA CC[C@@H](Br)C(=O)NCc1ccc(OC)cc1OC 32919972 CTOZZZIPGGFSTI-LLVKDONJSA-N 316.195 2.494 50 50 DEGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1 5314371 MXHKFHGEGMCCMC-WOJGMQOQSA-N 323.356 2.188 50 50 DEGA Cc1cc(C)c(C(=O)NCCSSCCC(=O)O)cn1 1875388755 PCQQGAALTOWNMY-UHFFFAOYSA-N 314.432 2.284 50 50 DEGA N[C@@H]1CCCCCC[C@H]1C(=O)NNc1ncnc2ccsc12 151493218 AGZRZVZGSVXPCQ-GHMZBOCLSA-N 319.434 2.432 50 50 DEGA COc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 13382205 HANFJTDYRGRJOL-WOJGMQOQSA-N 312.373 2.451 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 42477 HZGLSRRJJPBBEW-HNNXBMFYSA-N 314.341 2.340 50 50 DEGA Cc1cccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)c1 371099 ZUFLAHAGWSVACL-UHFFFAOYSA-N 323.349 2.149 50 50 DEGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 4330668 XHWXFANOHIMKIW-YBFXNURJSA-N 306.325 2.257 50 50 DEGA CCn1cc(/C=N/NC(=O)[C@]2(C)CC2(Cl)Cl)c(C)n1 2089924 XNDBFQUYYPNZIM-QZSDQICDSA-N 303.193 2.245 50 50 DEGA CN(C)c1ccc(P(=O)(CO)c2ccc(N(C)C)cc2)cc1 295539 INMAVUUEIUEHCU-UHFFFAOYSA-N 318.357 2.082 50 50 DEGA C[C@H](Cl)C(=O)N1CCN(c2nc3ccccc3o2)[C@@H](C)C1 1875380389 NEBKMPMKUUUFNJ-QWRGUYRKSA-N 307.781 2.492 50 50 DEGA COC(=O)N[C@H]1[C@@H](I)[C@@H](C)C=C[C@H]1C 4973075 UHBCANGCONBFBD-UYXSQOIJSA-N 309.147 2.357 50 50 DEGA COc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1 8690729 JUQMUSXYQBAIAP-UHFFFAOYSA-N 307.419 2.137 50 50 DEGA COc1nccnc1NNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 131943567 JIVHNNDNODTFAH-MNOVXSKESA-N 318.764 2.385 50 50 DEGA COc1cccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c1 59113 JHZDLMFYWALNSX-WOJGMQOQSA-N 314.341 2.476 50 50 DEGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccs1 3033766 GZPNMUORZZWARV-CAOOACKPSA-N 321.789 2.282 50 50 DEGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccccn1 100482938 MYYLYKKUZKFYEI-YBFXNURJSA-N 321.340 2.045 50 50 DEGA CCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 250677 AWMDIJOYZGPSDL-LICLKQGHSA-N 300.314 2.260 50 50 DEGA CCCN(C(=O)OC(C)(C)C)c1ccc(B(O)O)c(Cl)c1 170002517 HYCVONHTWWDALC-UHFFFAOYSA-N 313.590 2.171 50 50 DEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC(C)C)[C@@H]2C1 34954641 HMPJEAPJAQLKLC-CVEARBPZSA-N 309.417 2.310 50 50 DEGA CC(=O)NNC(=S)Nc1ccc(Br)cc1Cl 6317931 LACZEIJPHWFIHR-UHFFFAOYSA-N 322.615 2.440 50 50 DEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C12C[C@@H]2[C@H]1CC(F)(F)C1(F)F 252430970 WILPAPVUDZVAGG-JRKXVGBNSA-N 316.250 2.415 50 50 DEGA COc1ccc(Cl)cc1C(=O)N/N=C/c1cn(C)nc1C 2762000 HDWKDHRYHNZYDK-FRKPEAEDSA-N 306.753 2.154 50 50 DEGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1O 231662 OCFKOMONQVTYRC-LICLKQGHSA-N 300.314 2.260 50 50 DEGA O=C(CCl)N[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 1875369168 XFNYBRBBQKVSFG-HNNXBMFYSA-N 322.836 2.165 50 50 DEGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(Cl)cc1 58652 WYIZHFRSIPRNKN-RQZCQDPDSA-N 313.748 2.235 50 50 DEGA COc1cccc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)c1OC 284797 NGIRPOFGDCQVRX-HNNXBMFYSA-N 314.341 2.374 50 50 DEGA N#C/C(=C\c1cnn(CCCl)c1)C(=O)NC1CCCCC1 206206039 NKWQWZBTJPWSPZ-MDWZMJQESA-N 306.797 2.478 50 50 DEGA COc1cc(/C=C(/C#N)C(N)=S)c(Br)cc1O 16194793 AGFFNKLNKWSGSU-UQCOIBPSSA-N 313.176 2.356 50 50 DEGA CC(C)(C)OC(=O)N1[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 136137692 GXKPGCXFTICKPL-MPZDIEGVSA-N 315.325 2.349 50 50 DEGA Cc1cccc([C@@H]2C[C@H]2C(=O)NNc2c(C#N)c(C)nn2C)c1 1875344263 ACEWMZFEQGLOBR-UONOGXRCSA-N 309.373 2.155 50 50 DEGA COc1ccc(O)c(/C=N/NC(=O)COc2ccccc2C)c1 286328 YVHBEGHILXLYTD-VCHYOVAHSA-N 314.341 2.238 50 50 DEGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2566318 HJEGJYMOGDMREV-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)ccc1O 8566188 GASLVSDZVNKXBL-UFWORHAWSA-N 310.313 2.041 50 50 DEGA O=C(C(Cl)Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4977444 QZSWOUHAFDFMTK-UHFFFAOYSA-N 318.160 2.047 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc([N+](=O)[O-])cs1 58329 PLNLYYUAGBLLSG-LBPRGKRZSA-N 317.326 2.471 50 50 DEGA COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 238967 VCJCGJRDQFKFOX-GZTJUZNOSA-N 313.313 2.296 50 50 DEGA ClCc1nnc2n1-c1ccccc1-n1c(CCl)nnc1-2 1393890 VHSXJSOVADJDNI-UHFFFAOYSA-N 307.144 2.306 50 50 DEGA COc1ccc(/C=N/NC(=O)c2cccc(O)c2)c(OC)c1C 13321742 KZJKJOYPTISEHH-VCHYOVAHSA-N 314.341 2.482 50 50 DEGA CC1(C)O[C@H]2[C@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 169747031 JJLRGSYXWAKGJM-DDHJBXDOSA-N 304.459 2.246 50 50 DEGA in-vitro CO[C@H](C(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccccc1 444278 YODSURPUHJQYMM-LZNAANCOSA-N 312.325 2.223 50 50 DEGA O=C(CCC1CCCCC1)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 5830065 NKXONQFCSQWYPW-KBPBESRZSA-N 322.405 2.161 50 50 DEGA COC(=O)CSC1=C(C#N)[C@H](c2sccc2C)CC(=O)N1 2905118 GSGGFLGASRVZED-SECBINFHSA-N 322.411 2.301 50 50 DEGA C[C@H](Cl)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 1875366873 QIMBRTNKLWNJPC-GWCFXTLKSA-N 317.216 2.289 50 50 DEGA O=C(COc1ccccc1Cl)NNC(=O)Cc1cccs1 1212106 LTCPDBSRKLFJTH-UHFFFAOYSA-N 324.789 2.170 50 50 DEGA O=C(Cn1ccc2ccccc21)NNC(=O)NC1CCCCC1 14776059 JWVVEYRMDLIXTE-UHFFFAOYSA-N 314.389 2.304 50 50 DEGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1 48902 YSZLPFAZGPYQFI-AWEZNQCLSA-N 310.309 2.175 50 50 DEGA COc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)ccc1O 284762 YXUXXNNDAVXZQD-OAHLLOKOSA-N 300.314 2.071 50 50 DEGA CC(C)(C)OC(=O)NCCNC(=O)CCCCBr 232568959 UEFBWJCEIPMCOS-UHFFFAOYSA-N 323.231 2.193 50 50 DEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@H]2C1 4123659 HIYHMXMNHKZUJR-DLBZAZTESA-N 315.380 2.042 50 50 DEGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1O 138966 MJFIIJMUBNLSMA-VCHYOVAHSA-N 308.341 2.201 50 50 DEGA COc1cc(OC)c(/C=N/NC(=O)c2ccoc2C)c(OC)c1 232395 WILXRZVNHGPFQM-RQZCQDPDSA-N 318.329 2.378 50 50 DEGA O=C(NNC(=S)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 437621 IFQHXUKIBXBDBC-UHFFFAOYSA-N 322.390 2.036 50 50 DEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc2[nH]cnc2c1 18084754 YKSFCVIDRJQENA-QGMBQPNBSA-N 309.285 2.235 50 50 DEGA Cc1nn(C)c(C)c1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)C)c21 67601748 MEXIPXRLGJXKPA-GFCCVEGCSA-N 312.377 2.102 50 50 DEGA C[C@]1(C(=O)N2CCC([C@@H]3CCNC3)CC2)C[C@@H]1Br 1616039579 RRFCEXWFVVJOKZ-DYEKYZERSA-N 315.255 2.008 50 50 DEGA NNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 16675729 PMNDRWOIUCKQDM-SBFJKYRKSA-N 307.353 2.004 50 50 DEGA COC(=O)[C@H]1C(=O)NC(SC)=C(C#N)[C@@H]1c1ccc(C)cc1 9110699 SBXDJAQTUHAQLO-QWHCGFSZSA-N 316.382 2.096 50 50 DEGA O=C(CCC1CCCCC1)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 5830050 NKXONQFCSQWYPW-KGLIPLIRSA-N 322.405 2.161 50 50 DEGA C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(C)s1 5684626 ZAGBMBILYNHENE-LFIBNONCSA-N 313.386 2.342 50 50 DEGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(O)cc1 242011 FCUITUOBNMVDPJ-CQSZACIVSA-N 314.341 2.427 50 50 DEGA C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1cccc([N+](=O)[O-])c1 13322513 ALQUHXWZBLBQLJ-CXUHLZMHSA-N 315.285 2.160 50 50 DEGA Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccncc1 1960287 MBHFQQJWEARHKJ-XDHOZWIPSA-N 310.357 2.259 50 50 DEGA O=S(=O)(c1ccc(CCl)cc1)N1CC[C@@]2(CCOC2)C1 687900971 XKHFTPVGNKRVGP-CQSZACIVSA-N 315.822 2.227 50 50 DEGA CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2)c2ccccc21 100321738 HOVAHVLDWOEIGL-JXAWBTAJSA-N 313.744 2.451 50 50 DEGA COc1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c1 290288 JXOOLPAEVOSJQJ-UHFFFAOYSA-N 320.732 2.129 50 50 DEGA Cc1nc(CN2CCC(CNC(=O)[C@@H](C)Cl)CC2)oc1C 1875364717 RNZQVPPGFNPUJK-SNVBAGLBSA-N 313.829 2.247 50 50 DEGA O=C(COc1ccccc1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 4957809 VXZVBDYLJPXXOF-CVEARBPZSA-N 310.353 2.017 50 50 DEGA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@H](F)Cl 2325898578 MEWQWELFXWWZGH-SCZZXKLOSA-N 300.765 2.373 50 50 DEGA COc1cccc2cc(C(=O)NC3=C(C#N)CCC3)c(=O)oc12 1052522 FEPHEVRQGLWOBP-UHFFFAOYSA-N 310.309 2.493 50 50 DEGA COc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1OC 1472528 NHKYEWRTDNVWEK-LICLKQGHSA-N 300.314 2.173 50 50 DEGA COC(=O)[C@H]1c2ccccc2C2(CC2)CN1C(=O)[C@@H](C)Cl 1875368059 MSEFSQPEPIDROC-ZWNOBZJWSA-N 307.777 2.402 50 50 DEGA CC(C)(C)[Si](C)(C)Oc1c(B(O)O)ccc2cccnc12 169977435 YLOQSWUGJPCVIB-UHFFFAOYSA-N 303.243 2.299 50 50 DEGA in-vitro O=C(OCc1ccccc1)N1CC(I)C1 19795775 SNXKRIUJMHHPOB-UHFFFAOYSA-N 317.126 2.442 50 50 DEGA in-vitro CC(C)(C)OC(=O)NNC(=O)COc1ccc(Cl)cc1 2865096 CXTQOCJYVRZLTC-UHFFFAOYSA-N 300.742 2.275 50 50 DEGA O=C(NNc1ccc(C(=O)O)cc1)Nc1cccc([N+](=O)[O-])c1 2167926 WLVNPDZPJWMDSI-UHFFFAOYSA-N 316.273 2.442 50 50 DEGA COc1cccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)c1 4229217 KQLIFABEPXHZTG-YBFXNURJSA-N 321.336 2.301 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1[N+](=O)[O-] 70980 HBVIIHANKJLMMD-AWEZNQCLSA-N 311.297 2.410 50 50 DEGA COC(=O)[C@@H]1C(=O)NC(SC)=C(C#N)[C@@H]1c1ccc(C)cc1 9110697 SBXDJAQTUHAQLO-STQMWFEESA-N 316.382 2.096 50 50 DEGA CCOc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1OCC 6493508 KPTJRQVOYDCZOD-LICLKQGHSA-N 316.361 2.279 50 50 DEGA CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 17054963 ROTMRINEQXTMFS-GFCCVEGCSA-N 319.405 2.073 50 50 DEGA CN(C)c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 59832 KOIYKZIXWQHWIP-GZTJUZNOSA-N 312.329 2.425 50 50 DEGA O=C(N/N=C/c1ccccc1Cl)C(=O)NC1CCCCC1 2025208 LZDBCFOKAYGVRL-LICLKQGHSA-N 307.781 2.239 50 50 DEGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)cc(O)c32)cc1 3127911 KPOQBWVXZRLHOC-HNNXBMFYSA-N 310.309 2.325 50 50 DEGA Cc1nc(C(=O)NCC(Cl)Cl)nn1-c1ccc(F)cc1 288139702 FPHFOGPYFQOVPL-UHFFFAOYSA-N 317.151 2.248 50 50 DEGA C[C@H](Cl)C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 1875380492 QQHCRRRBRVNTQB-JGVFFNPUSA-N 309.719 2.208 50 50 DEGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 1741813 BHJQYLQTJFGYPW-WOJGMQOQSA-N 323.356 2.500 50 50 DEGA Cc1cc(C)cc(NC(=S)NNC(=O)c2ccccn2)c1 6571460 SXOFLDYQNHKOBY-UHFFFAOYSA-N 300.387 2.330 50 50 DEGA O=C(/C=C/NNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2066558 NJKVZEHCCSLXBM-ZHACJKMWSA-N 311.297 2.226 50 50 DEGA Cc1cc(C(=O)N/N=C2/CN3CCC2CC3)c2ccccc2n1 5378928 PBVHGKCBOMMTTP-JZJYNLBNSA-N 308.385 2.355 50 50 DEGA COC(=O)N1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]21 101042557 RUAPYDZHXLSHCZ-XDAHVEFBSA-N 312.989 2.126 50 50 DEGA COC(=O)c1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)cc1 220981453 XWAYQKHURNNBQR-XDHOZWIPSA-N 310.353 2.474 50 50 DEGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccco1 4372590 FSDXEUVUQACVCK-CNOAHFENSA-N 303.274 2.105 50 50 DEGA COc1nccnc1NNC(=O)C1(c2cccc(F)c2)CCC1 132159658 RXFCQTCHMCIQOE-UHFFFAOYSA-N 316.336 2.189 50 50 DEGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(F)c2)cc1 4347339 OEXBTBUQABZKQG-KEBDBYFISA-N 313.332 2.014 50 50 DEGA O=C(Cc1ccc(O)cc1)NNC(=O)Nc1ccc(F)cc1F 612006 KQJITXKRHOYQQW-UHFFFAOYSA-N 321.283 2.066 50 50 DEGA C[C@@]12CC(=O)[C@@H](Br)[C@]1(C)CC(=O)[C@H]2Br 101142438 BMYYLAWDESISBX-IMSYWVGJSA-N 324.012 2.472 50 50 DEGA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(N)=O)o1 442030 CLNUODKFNOAKAU-RMKNXTFCSA-N 313.269 2.256 50 50 DEGA COC(=O)[C@]1(C)c2[nH]c3ccccc3c2CCN1C(=O)CCl 5881453 BCSIRYFYAKLJDK-INIZCTEOSA-N 320.776 2.180 50 50 DEGA COc1ccccc1C(=O)NNC(=O)Cn1ccc2ccccc21 14776057 JJVOQLQXAOZIDA-UHFFFAOYSA-N 323.352 2.111 50 50 DEGA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@H](F)Cl 2325898580 MEWQWELFXWWZGH-WPRPVWTQSA-N 300.765 2.373 50 50 DEGA CC(C)(C)OC(=O)N1CCN(CCCBr)CC1 21984959 SQJTVQSZFVOIQV-UHFFFAOYSA-N 307.232 2.324 50 50 DEGA O=C(N/N=C/c1cc(Br)ccc1F)c1cnccn1 548776 PBCWWTMDTOEISI-UBKPWBPPSA-N 323.125 2.142 50 50 DEGA O=C1C=C/C(=C/NNC(=O)c2cc3ccccc3cc2O)C=C1O 100487313 NRQJUIHYFNUXFT-KHPPLWFESA-N 322.320 2.245 50 50 DEGA in-vitro CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CCCC2=O 74948 FQJJAFNVQHTDEM-MRXNPFEDSA-N 308.385 2.263 50 50 DEGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 4230132 XGSHWEFILDGZNQ-XDHOZWIPSA-N 324.384 2.150 50 50 DEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(OC)cc1 3887711 KRXMBPNXXZLNMZ-ZDUSSCGKSA-N 324.764 2.105 50 50 DEGA N#CC1=CCC[C@H](OC(=O)c2ccc(N3CCNC3=O)cc2)C1 888099858 ZGIFYHXFRYLCHL-HNNXBMFYSA-N 311.341 2.375 50 50 DEGA O=C(N/N=C/c1cccc(Br)c1)c1cnccn1 228492 FNIDDEAIMHWVMQ-FRKPEAEDSA-N 305.135 2.003 50 50 DEGA CC(C)(Br)C(=O)OC(=O)C(C)(C)Br 101787382 CHYAZMNKLHWVBP-UHFFFAOYSA-N 315.989 2.403 50 50 DEGA O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccncc1 3895086 FZPYHLNQAVOZNA-UHFFFAOYSA-N 313.401 2.449 50 50 DEGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1 9270298 KCPFXZXDYAGBKI-LICLKQGHSA-N 310.313 2.442 50 50 DEGA Cc1cc(C(=O)NCCSSCCC(=O)O)cnc1F 1875354774 OPWZDKVORFQZOI-UHFFFAOYSA-N 318.395 2.115 50 50 DEGA O=C(CCl)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 1336909843 GZKOUYBYCSYURF-UHFFFAOYSA-N 312.160 2.370 50 50 DEGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1COc2ccccc2O1 177441 BEMZLCOGADPGKG-MZYRPWKCSA-N 321.336 2.458 50 50 DEGA O=S(=O)(c1ccccc1)[C@@H]1[C@H]2[C@H]3C[C@H]1[C@H](Br)[C@@H]23 254301781 ZNVZGURQOQNGRK-QPHKQPEJSA-N 313.216 2.488 50 50 DEGA CSc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 4526254 LEUQXDFQHKEYLV-CXUHLZMHSA-N 300.387 2.384 50 50 DEGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccn1 2343535 HBGYNRFPNJVKRH-FRKPEAEDSA-N 320.692 2.113 50 50 DEGA C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 12343128 OZNZXGSNBWZZTB-UDWIEESQSA-N 313.332 2.096 50 50 DEGA CC(C)C[C@@H](Br)C(=O)N[C@H](CC(C)C)C(=O)O 1635527 SKIOHEOZWHHOCD-NXEZZACHSA-N 308.216 2.412 50 50 DEGA CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C)o1 2872937 VZXNJZMOIFRZOR-LICLKQGHSA-N 315.329 2.076 50 50 DEGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 34879 UNTMIGZGOAQTEC-HNNXBMFYSA-N 324.336 2.288 50 50 DEGA CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[C@H](C)Cl)n1 1875364599 XLMZAXBQSPDWDH-UWVGGRQHSA-N 303.790 2.389 50 50 DEGA COc1cccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1 298484 AFLXONLPQKFHCH-LICLKQGHSA-N 300.362 2.480 50 50 DEGA CO[Si](CCCOc1ccc([N+](=O)[O-])cc1)(OC)OC 169983967 LLHGDLUQBZRTNN-UHFFFAOYSA-N 301.371 2.242 50 50 DEGA C=CCc1cccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)c1O 6492913 GFZWXAXFLUXLSC-VCHYOVAHSA-N 310.357 2.485 50 50 DEGA Cc1occc1C(=O)NNC(=S)N[C@@H](C)c1ccccc1 2112754 WHSJMAQTJLCBMS-JTQLQIEISA-N 303.387 2.458 50 50 DEGA CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2C[C@@H]2NC(=O)CCl)C1 1875375753 HNNNAKWFSPQMKW-SRVKXCTJSA-N 316.829 2.377 50 50 DEGA O=C(NNC(=S)NCc1ccc(Cl)cc1)c1cccnc1 73226 VUSBZHQCEASRGJ-UHFFFAOYSA-N 320.805 2.044 50 50 DEGA C[C@]1(C(=O)N2CCC([C@H]3CCNC3)CC2)C[C@H]1Br 1616039581 RRFCEXWFVVJOKZ-SCRDCRAPSA-N 315.255 2.008 50 50 DEGA C[C@H](Cl)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 1875363723 VDKQTOUVOJSTAT-NSHDSACASA-N 315.845 2.237 50 50 DEGA C[C@H](Cl)C(=O)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 1875377767 NBRIEBOYYWDORP-QWHCGFSZSA-N 305.809 2.391 50 50 DEGA C=C[Si](OCC)(OCC)O[Si](C=C)(OCC)OCC 195755474 MZAYYDBNSRGYGH-UHFFFAOYSA-N 306.507 2.477 50 50 DEGA COc1ccccc1C(=O)N/N=C1\C(=O)N(C)c2ccc(C)cc21 5730658 CXJGQYRCIKHXLE-MNDPQUGUSA-N 323.352 2.114 50 50 DEGA CCn1nc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C 372260 RRWAZOGBVAKLEE-OAHLLOKOSA-N 312.373 2.335 50 50 DEGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1O 354587 AMTDCONQEVTDGK-VCHYOVAHSA-N 314.341 2.238 50 50 DEGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)o1 8558577 UZAWATQOIAKPAV-RQZCQDPDSA-N 310.313 2.448 50 50 DEGA Cc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1c(C#N)c(C)nn1C 1875345025 SPQDOYRFZZOURS-UONOGXRCSA-N 309.373 2.155 50 50 DEGA COCCCNC(=S)NNC(=O)c1csc2ccccc12 8682708 ZVKAMSBOZBTBAO-UHFFFAOYSA-N 323.443 2.047 50 50 DEGA Cc1ccc2occ(/C=N/NC(=O)c3ccncc3)c(=O)c2c1 3649377 BDICPTOBFZWTDL-DJKKODMXSA-N 307.309 2.260 50 50 DEGA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NNc1c(C#N)c(C)nn1C 1875345023 SPQDOYRFZZOURS-KBPBESRZSA-N 309.373 2.155 50 50 DEGA CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)CCl)cc1 952963242 DWIMMJTYDDBEDY-QWHCGFSZSA-N 308.809 2.474 50 50 DEGA CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(B(O)O)cc1 169746243 WLWUPRJBSHHRHU-UHFFFAOYSA-N 313.162 2.440 50 50 DEGA C[C@@H](Cl)C(=O)N[C@@](C)(C#N)COc1ccc(F)c(F)c1 1875255288 YHZDYCSNRCCEAG-OQPBUACISA-N 302.708 2.369 50 50 DEGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[nH]n1 263714 LJISXHRAWWYLOP-CXUHLZMHSA-N 315.333 2.379 50 50 DEGA Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1cccnc1 1960312 HVYYWHLFJXTCGI-XDHOZWIPSA-N 310.357 2.259 50 50 DEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@@H]3CC=CCC3)[C@@H]2C1 229393499 DQFDQQWZTQYENU-KBRIMQKVSA-N 319.412 2.230 50 50 DEGA O=C(Cn1nnc2ccccc21)NN=C/C=C/c1ccccc1 252441025 BHWQEGFXPFAJBZ-ODGAGTQYSA-N 305.341 2.247 50 50 DEGA CCOc1ccc(NCC(=O)N/N=C/c2ccccc2O)cc1 252271 ZRENLGRZSOZULZ-YBFXNURJSA-N 313.357 2.353 50 50 DEGA C[C@H](CC(=O)O)CC(=O)NNc1ncc(Cl)cc1Cl 2863953 SUECCIXQEWXBSS-LURJTMIESA-N 306.149 2.332 50 50 DEGA C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccs1 12343111 VPLHPUAPWNLBBF-BVTUPMQUSA-N 302.355 2.428 50 50 DEGA COc1ccc(/C(C)=N/NC(=O)CSc2ncccn2)cc1 12343156 OWCGNUQWQRAKQH-WOJGMQOQSA-N 316.386 2.118 50 50 DEGA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)CC(C)(C)CCl 585115365 XUGORDRKXHAYGE-SECBINFHSA-N 322.858 2.407 50 50 DEGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2cccnc2)c1 2896790 SMFUDBOTNPHPSC-XDHOZWIPSA-N 310.357 2.259 50 50 DEGA Cc1cc(C(=O)NNC(=S)NC(=O)c2ccccc2)cs1 6527829 PQZOIAAYVZGZHR-UHFFFAOYSA-N 319.411 2.006 50 50 DEGA C[C@@H](CC(=O)O)CC(=O)NNc1ncc(Cl)cc1Cl 2863954 SUECCIXQEWXBSS-ZCFIWIBFSA-N 306.149 2.332 50 50 DEGA CC(C)(C)[Si](C)(C)OCCOCCOCCOCCO 170175129 KZFZMISGZPOLJM-UHFFFAOYSA-N 308.491 2.050 50 50 DEGA in-vitro CC1=C(C(=O)OCCCCl)[C@H](c2ccccc2)NC(=O)N1 3899934 AFQRPTCAGYRCHJ-ZDUSSCGKSA-N 308.765 2.487 50 50 DEGA C[C@@H](Cl)C(=O)N1CCN(c2nc3ccccc3o2)[C@H](C)C1 1875380387 NEBKMPMKUUUFNJ-GHMZBOCLSA-N 307.781 2.492 50 50 DEGA CN(C)NC(=O)Nc1cccc(NC(=O)C(F)(F)C(F)F)c1 585087443 JIWZWHRAVPSGMC-UHFFFAOYSA-N 322.262 2.124 50 50 DEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@H]2C1 354763 HIYHMXMNHKZUJR-IRXDYDNUSA-N 315.380 2.042 50 50 DEGA Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1 130123 UFZSULMSCDXVDT-UHFFFAOYSA-N 318.760 2.488 50 50 DEGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 242398 GPXANBMLBHEYTF-QGZVFWFLSA-N 320.352 2.445 50 50 DEGA Cc1c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cnn1C 2759591 WDHUYFXQOXSPSS-AWEZNQCLSA-N 312.373 2.179 50 50 DEGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(O)cc1O 566473 NRBHSBHQBNMGSU-CAOOACKPSA-N 320.732 2.280 50 50 DEGA O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F 5060969 USAQGACUEAFJBQ-UHFFFAOYSA-N 318.264 2.200 50 50 DEGA COc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1 195859 ALQYBMCOAPVMSK-LICLKQGHSA-N 301.371 2.333 50 50 DEGA C[C@]1(C(=O)N2CCC([C@H]3CCNC3)CC2)C[C@@H]1Br 1616039580 RRFCEXWFVVJOKZ-OBJOEFQTSA-N 315.255 2.008 50 50 DEGA Cc1cc(C)n2nc(C(=O)N/N=C/C=C\c3ccccc3)nc2n1 13645850 TYFJBADYIUCBKM-WXZNFOGJSA-N 320.356 2.170 50 50 DEGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)no1 372870 HMEJCAGOKSDBQN-MKMNVTDBSA-N 308.681 2.309 50 50 DEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccccc1OC 57509143 BTJHYPSDSZBZJG-CYBMUJFWSA-N 324.764 2.105 50 50 DEGA O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 5589272 DQVIESQJZOHAIY-UHFFFAOYSA-N 322.371 2.288 50 50 DEGA CCCCNC(=O)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12 585138787 YDSMGRYPSYIJLF-DHZHZOJOSA-N 312.329 2.084 50 50 DEGA CC(C)[C@H]1CN(CC(F)(F)F)CCN1C(=O)[C@H](C)Cl 1875365113 NNFIRORTOPUVJM-VHSXEESVSA-N 300.752 2.345 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1O 271276 CHNHQEUECDHQHC-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA CC1=CC[C@H](C(C)(C)NC(=O)CCl)C[C@H]1NC(=O)CCl 107511969 KZFSELRXPVHNFL-WDEREUQCSA-N 321.248 2.200 50 50 DEGA C/C(=N/NC(=O)c1cccc(N2CCCC2=O)c1)c1ccncc1 292762 VUVLTVYWBXQASX-MOSHPQCFSA-N 322.368 2.362 50 50 DEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1 3009051 NUFJVJLIEHVGJN-YBFXNURJSA-N 313.332 2.477 50 50 DEGA COc1cccc(C(=O)NNC(=S)Nc2ccccc2)c1 90586 PKUUEXQVZUMLMA-UHFFFAOYSA-N 301.371 2.327 50 50 DEGA CCOc1ccccc1[C@H]1C(C#N)=C(N)OC(C)=C1C(=O)OC 135369 MLOABMRKDMDLAO-HNNXBMFYSA-N 314.341 2.340 50 50 DEGA NNC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 2537690 WOGZFVXKPGDUBC-UHFFFAOYSA-N 308.341 2.190 50 50 DEGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)o1 3080176 BHIPEJYUBDEWIP-QGMBQPNBSA-N 319.748 2.122 50 50 DEGA CC[C@H](Br)C(=O)NCc1ccc(OC)cc1OC 32919974 CTOZZZIPGGFSTI-NSHDSACASA-N 316.195 2.494 50 50 DEGA Cc1ccsc1C(=O)NNC(=S)NCc1ccccc1 374742 UUHJIELAZNQENQ-UHFFFAOYSA-N 305.428 2.366 50 50 DEGA O=S(=O)(c1cccc(CCl)c1)N1CC[C@@]2(CCOC2)C1 687897229 AOVJIWWLPUVBJI-CQSZACIVSA-N 315.822 2.227 50 50 DEGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)n[nH]1 72197 MDHRECYYGMEYLL-LICLKQGHSA-N 310.313 2.442 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OC(C)=O 232379 MGANHRSBZVEPPP-RQZCQDPDSA-N 316.313 2.286 50 50 DEGA Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccoc1C 587187 QHSZIOYWTAXXFQ-UHFFFAOYSA-N 302.330 2.045 50 50 DEGA NC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95704796 JROPXGUIZWYIJQ-UHFFFAOYSA-O 320.352 2.466 50 50 DEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@@H]3CC=CCC3)[C@H]2C1 252346806 DQFDQQWZTQYENU-XOKHGSTOSA-N 319.412 2.230 50 50 DEGA CCOC(=O)[C@@]1(NC(=O)CCl)Cc2ccc(Cl)cc2C1 1875374414 OWEJGSDGKSXQNA-CQSZACIVSA-N 316.184 2.096 50 50 DEGA N#C/C(=C1/CCCN1)S(=O)(=O)c1cc(Cl)ccc1F 221636576 YBHOUYVKRBLIIC-ZRDIBKRKSA-N 300.742 2.371 50 50 DEGA C[C@H](Cl)C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 1875377704 LNYKGZFIFVJHNO-QMMMGPOBSA-N 300.717 2.212 50 50 DEGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 201325 ZNANXBILPQPJEF-CYBMUJFWSA-N 316.263 2.445 50 50 DEGA CC(C)NC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2 17032363 WDFBWZHWCVZPGY-SECBINFHSA-N 311.476 2.390 50 50 DEGA C/C(=N\NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(C)cc1 195961 KSFZELYXOPIZLU-DEDYPNTBSA-N 322.372 2.204 50 50 DEGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccco1 7320500 GUYKVTBGYNJWHD-RGVLZGJSSA-N 321.336 2.313 50 50 DEGA O=C(COc1ccc(Cl)cc1)NNC(=O)C1CCCCC1 299416 UKKDMJVCBCXNFP-UHFFFAOYSA-N 310.781 2.447 50 50 DEGA CCCN1CCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4611047 BUGYQQBLQNEBSK-UHFFFAOYSA-N 304.350 2.186 50 50 DEGA COc1cc(OC)cc(OCCCNC(=O)[C@H](C)Cl)c1 1875364102 DOAWOEJXKHGHKX-JTQLQIEISA-N 301.770 2.216 50 50 DEGA O=C(NNc1ncccc1Cl)c1ccc2c(n1)CCCN2 1306586997 PFDHMDSWHMGFKW-UHFFFAOYSA-N 303.753 2.245 50 50 DEGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccnc1 17369081 QJCYWRWXVSCNQA-VGOFMYFVSA-N 308.297 2.213 50 50 DEGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)o1 6694380 OWVJRPYIOVNKLE-RQZCQDPDSA-N 310.313 2.448 50 50 DEGA COc1ccccc1/C=N/NC(=O)c1cc(C(C)(C)C)n[nH]1 9274049 MWYHCZJNIKVLSK-LICLKQGHSA-N 300.362 2.480 50 50 DEGA Cc1ccc(S(=O)(=O)/C(C#N)=C\Nc2ncccn2)cc1 2518605 DAAJRBWHQNRWHD-RAXLEYEMSA-N 300.343 2.036 50 50 DEGA CCOC(=O)CN(C(=O)CCl)c1ccc(C)c([N+](=O)[O-])c1 4892553 PCDYMBVDNGOESW-UHFFFAOYSA-N 314.725 2.038 50 50 DEGA C[n+]1cccc(C(=O)N/N=C/c2ccc(Br)cc2)c1 436536 YHXICPMPUMBQHJ-CXUHLZMHSA-O 319.182 2.038 50 50 DEGA COc1ccccc1/C=N/NC(=O)COc1ccccc1OC 437818 BUFYIBQSVISPFW-WOJGMQOQSA-N 314.341 2.233 50 50 DEGA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(N)=O)o1 5016148 LVTOGWBTGOAUIB-RMKNXTFCSA-N 313.269 2.256 50 50 DEGA COC(=O)[C@@H]1C(=O)NC(SC)=C(C#N)[C@H]1c1ccc(C)cc1 9110698 SBXDJAQTUHAQLO-OLZOCXBDSA-N 316.382 2.096 50 50 DEGA CC1=CC[C@@H](C(C)(C)NC(=O)CCl)C[C@H]1NC(=O)CCl 107511971 KZFSELRXPVHNFL-GHMZBOCLSA-N 321.248 2.200 50 50 DEGA C#CC1CN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)C1 1615614110 MEZBPGBKUZXURT-UKRRQHHQSA-N 304.187 2.183 50 50 DEGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cccc(F)c1 64382 URWLKJNNYMKCLU-LZYBPNLTSA-N 303.249 2.203 50 50 DEGA Cc1cc(NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)nc(C)n1 128808789 KEOWSQJVMODSPY-ZIAGYGMSSA-N 300.337 2.479 50 50 DEGA Cc1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 260063 HVCFXZHYQMTGIR-LICLKQGHSA-N 313.313 2.432 50 50 DEGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1O 580507 VKESWORSGZAXMM-VCHYOVAHSA-N 314.341 2.238 50 50 DEGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)o1 4928005 UUBPDEVWPORETD-RQZCQDPDSA-N 310.313 2.448 50 50 DEGA CC(=O)c1ccc(NC(=O)NNC(=O)Cc2cccs2)cc1 609131 JVVDUQOUGHCPAT-UHFFFAOYSA-N 317.370 2.346 50 50 DEGA COc1ccc(/C=C2/C(=O)ON=C2CCl)c(OC)c1OC 34926755 RGWJJMIKJADWTJ-RMKNXTFCSA-N 311.721 2.247 50 50 DEGA Cc1cccc([C@H]2C[C@@H]2C(=O)NNc2c(C#N)c(C)nn2C)c1 1875344262 ACEWMZFEQGLOBR-KGLIPLIRSA-N 309.373 2.155 50 50 DEGA Cc1cc(NNC(=O)[C@H]2C[C@H]2c2ccccc2F)nc(C)n1 128663569 PPVQTCVCSLULBB-STQMWFEESA-N 300.337 2.479 50 50 DEGA COC[C@H](O)CN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 328598312 LEHABZUOKQDVRB-ZIAGYGMSSA-N 303.519 2.480 50 50 DEGA CC1(C)Cc2ccccc2C(NNC(=O)c2ccc(N)cc2)=N1 343692 QGPGHIMJQSIGTJ-UHFFFAOYSA-N 308.385 2.285 50 50 DEGA COc1ccc(C(=O)NNC(=O)Nc2cc(F)ccc2F)cc1 2172416 ZHOLVEXWLBUDEX-UHFFFAOYSA-N 321.283 2.440 50 50 DEGA CCOC(=O)[C@H](CC)C(C)=NNC(=O)c1ccc([N+](=O)[O-])cc1 252320794 SAABJYNYSFWSLM-CYBMUJFWSA-N 321.333 2.290 50 50 DEGA C[C@@H](C(=O)N/N=C/c1ccccc1F)n1nnc2ccccc21 124598 LMNXQVVWVINWAW-HPAYWCODSA-N 311.320 2.282 50 50 DEGA CC(C)[C@@H]1CN(CC(F)(F)F)CCN1C(=O)[C@@H](C)Cl 1875365114 NNFIRORTOPUVJM-ZJUUUORDSA-N 300.752 2.345 50 50 DEGA C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)[C@@H](C)Cl)CC1 1875377766 NBRIEBOYYWDORP-OLZOCXBDSA-N 305.809 2.391 50 50 DEGA C/C(=N\NC(=O)COc1ccc(C)cc1)c1cc(O)cc(O)c1 43763782 FVOMSEQGHDANRO-LDADJPATSA-N 314.341 2.325 50 50 DEGA C=CCNC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2 2112833 KVDZRROCSKVDCZ-SECBINFHSA-N 309.460 2.168 50 50 DEGA CC(C)(C)OC(=O)N1CCC[C@@H]1C1(NC(=O)CCl)CC1 1875377388 DHCOVYPCUXJWEX-SNVBAGLBSA-N 302.802 2.274 50 50 DEGA Cc1ccccc1[C@H]1C[C@H]1C(=O)NNc1c(C#N)c(C)nn1C 1875345026 SPQDOYRFZZOURS-ZIAGYGMSSA-N 309.373 2.155 50 50 DEGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(N(C)C)cc1 229357 XSABRGXXEQOTBA-WOJGMQOQSA-N 313.405 2.175 50 50 DEGA COc1ccc(NCC(=O)N/N=C(\C)c2ccccc2O)cc1 4599115 IESLWJJFEZJJMU-XDHOZWIPSA-N 313.357 2.353 50 50 DEGA COc1ccc(C(=O)NNC(=O)Nc2ccc(F)cc2)cc1 2141531 ZGVXDVNOWGMVHW-UHFFFAOYSA-N 303.293 2.301 50 50 DEGA Cc1ccc(COc2ccsc2C(=O)NNC(N)=S)cc1 13545051 MTNMOZVPZJGTNU-UHFFFAOYSA-N 321.427 2.114 50 50 DEGA ClCCNCCOc1ccccc1OCCNCCCl 5717581 QJQYWLSFWNLTTB-UHFFFAOYSA-N 321.248 2.101 50 50 DEGA CC(C)n1cc([C@H]2N(C(=O)CCl)CC23CCOCC3)cn1 1875377328 CBLQLPBPLAWZMZ-CQSZACIVSA-N 311.813 2.383 50 50 DEGA C[C@H](Cl)C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C 1875380542 RSNMKFHSPLSMKQ-SLEUVZQESA-N 324.856 2.079 50 50 DEGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1Cl 251998 GIHIJPOSPIWNFX-RQZCQDPDSA-N 313.748 2.235 50 50 DEGA Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCl)c(C)c1 1319785822 MUMCXHSUITUCKJ-LBPRGKRZSA-N 312.822 2.382 50 50 DEGA Cc1cc(C)n(CC(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)n1 1875390460 XHZUJUSMWHMRPW-MLOACLSXSA-N 300.406 2.428 50 50 DEGA NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12 272782 VNLSSYQCXNDMAT-UHFFFAOYSA-N 306.163 2.478 50 50 DEGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccncc2)cc1Cl 4230065 HDOZYUVFYFKQRB-GIJQJNRQSA-N 316.748 2.132 50 50 DEGA COc1ccc(P(=O)(CC(=O)O)c2ccc(OC)cc2)cc1 301398 NCSMRZOSWNBWNZ-UHFFFAOYSA-N 320.281 2.102 50 50 DEGA CO[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1 2965557 FKOYVXSHZRDYIR-AWEZNQCLSA-N 318.760 2.489 50 50 DEGA COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 36528708 FDYOQGUQCSELOI-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA Cc1ccccc1NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 261603 QSPWITKZZBEYFK-VCHYOVAHSA-N 312.329 2.465 50 50 DEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 3166658 WHLVATBEVHKCPX-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)c1 2566506 MKXYGOBLVGQBSF-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc(Cl)cc1 3155083 DLVCGOZWBGACNK-LICLKQGHSA-N 301.733 2.429 50 50 DEGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1 48903 YSZLPFAZGPYQFI-CQSZACIVSA-N 310.309 2.175 50 50 DEGA O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccco1 4828853 GLIFQTHUTBKJJV-UHFFFAOYSA-N 310.762 2.486 50 50 DEGA COC(=O)C[C@@H](NC(=O)CCl)c1ccc(SC)cc1 1319674033 ARQSHOUJUCNRJY-LLVKDONJSA-N 301.795 2.368 50 50 DEGA COc1ccc(OC)c(OC)c1/C=N/NC(=O)c1ccco1 5670306 ZCQXXYMHQICOIJ-CXUHLZMHSA-N 304.302 2.069 50 50 DEGA O=C(CCC1CCCCC1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 373085 UVPOIFBNAFDZTH-KGLIPLIRSA-N 324.421 2.385 50 50 DEGA CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@H]1CNC(=O)CCl 1875370074 AXMOZPMNHUDGOK-NWDGAFQWSA-N 316.829 2.377 50 50 DEGA COCCN(CCCOc1ccc(F)cc1)C(=O)CCl 1336909650 CNWTWFUKGQQUPE-UHFFFAOYSA-N 303.761 2.308 50 50 DEGA Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 448612 JCQBTLMCWFPJHB-DORSJAEJSA-N 321.380 2.498 50 50 DEGA CCOP(=O)(CC(=O)N/N=C/c1cccc(O)c1)OCC 2896445 LCXPKVJAEOYBKL-NTEUORMPSA-N 314.278 2.108 50 50 DEGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccncc1 4259121 PBMKUCVPVAGACE-GIJQJNRQSA-N 316.748 2.132 50 50 DEGA COC(=O)CSC1=C(C#N)[C@@H](c2sccc2C)CC(=O)N1 1303374 GSGGFLGASRVZED-VIFPVBQESA-N 322.411 2.301 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 357312 DNWKVLCZFUKHCS-WOJGMQOQSA-N 314.341 2.476 50 50 DEGA CCOc1cc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)ccc1O 5686466 NYVRNIAUWFMNQE-RQZCQDPDSA-N 314.345 2.155 50 50 DEGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1O 207998 LKCRBRKQVHLDIG-MRXNPFEDSA-N 309.325 2.201 50 50 DEGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC(C)C)[C@H]2C1 106237125 HMPJEAPJAQLKLC-JKSUJKDBSA-N 309.417 2.310 50 50 DEGA CCn1cc(/C=N/NC(=O)c2ccc(Br)cc2)cn1 371315 BKTUEBCZHDWEMC-VIZOYTHASA-N 321.178 2.429 50 50 DEGA COc1ccccc1C(=O)N/N=C/c1ccc(NC(C)=O)cc1 2165380 RVFDEPVYAZHHJV-WOJGMQOQSA-N 311.341 2.418 50 50 DEGA O=C1O[C@H]2C[C@@]34CC=CC[C@]3(C[C@H]2I)[C@H]14 254924734 ZWDXKNRAQJPUHJ-RNFDAIKLSA-N 316.138 2.462 50 50 DEGA O=C(CCl)NCCCCCCCCCNC(=O)CCl 4652611 SFEJUGKRMOOXTK-UHFFFAOYSA-N 311.253 2.427 50 50 DEGA O=C(O)COc1ccc(/C=N/NC(=O)C2CCCCC2)cc1 2521838 RHIKAFLRPRBOCS-LICLKQGHSA-N 304.346 2.180 50 50 DEGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 8972734 YWKGQUCMKBJBFE-JTQLQIEISA-N 320.345 2.071 50 50 DEGA CC(=NNC(=O)C(=O)Nc1cccc(F)c1)c1ccc(F)cc1 253470500 CFSCWWXIHXUWOE-UHFFFAOYSA-N 317.295 2.444 50 50 DEGA COc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1 13684192 ZXTQBJSOXBDTSR-UHFFFAOYSA-N 301.371 2.327 50 50 DEGA Cc1c(Cl)cccc1NC(=O)c1ccc(B(O)O)c(Cl)c1 169744376 XIQSLYONDOBVPF-UHFFFAOYSA-N 323.972 2.234 50 50 DEGA COc1ccccc1NC(=O)C(=O)N/N=C/C=C/c1ccccc1 2521926 MIVKKYQSBURVOP-CIOYMBLNSA-N 323.352 2.449 50 50 DEGA COc1ccc(NC(=S)NNC(=O)c2ccccc2)cc1 2571225 QLTBPPKETJIXRH-UHFFFAOYSA-N 301.371 2.327 50 50 DEGA COC[C@H](O)CN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 328598311 LEHABZUOKQDVRB-KGLIPLIRSA-N 303.519 2.480 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccncc2)[C@H]2CSCC=C12 19931887 IMBBZTCELSDFQZ-LSDHHAIUSA-N 319.393 2.238 50 50 DEGA N[C@@H]1CCCCCC[C@@H]1C(=O)NNc1ncnc2ccsc12 151493304 AGZRZVZGSVXPCQ-WDEREUQCSA-N 319.434 2.432 50 50 DEGA CCCCNC(=O)NNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 17054965 ROTMRINEQXTMFS-LBPRGKRZSA-N 319.405 2.073 50 50 DEGA C[C@]1(C(=O)N2CCC([C@@H]3CCNC3)CC2)C[C@H]1Br 1616039578 RRFCEXWFVVJOKZ-BZPMIXESSA-N 315.255 2.008 50 50 DEGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccccc1 33296416 FRLDHZRPNJGICL-QGOAFFKASA-N 307.357 2.362 50 50 DEGA CNc1ccccc1C(=O)NNC(=O)Nc1ccc(F)cc1F 2167753 WTJMQKPTKBCUEX-UHFFFAOYSA-N 320.299 2.473 50 50 DEGA C[C@@H](Cl)C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 1875363685 RUAVRVDIYARGLL-GFCCVEGCSA-N 310.781 2.347 50 50 DEGA CC(C)C[C@H](NC(=O)[C@H](Br)CC(C)C)C(=O)O 1635526 SKIOHEOZWHHOCD-ZJUUUORDSA-N 308.216 2.412 50 50 DEGA CC(C)NC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2 17032361 WDFBWZHWCVZPGY-VIFPVBQESA-N 311.476 2.390 50 50 DEGA C[C@H](Cl)C(=O)N1CCNC(=O)[C@H]1c1c(F)cccc1Cl 1875377451 DVKAOZYGXDEOTB-WRWORJQWSA-N 319.163 2.106 50 50 DEGA O=C(NNC(=O)[C@H](O)c1ccccc1)Nc1ccccc1Cl 17055123 MDSCVLBWJSWPRI-CYBMUJFWSA-N 319.748 2.226 50 50 DEGA N#CCC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 3161854 XKQJVBSDCOCZFV-UHFFFAOYSA-N 303.174 2.225 50 50 DEGA in-vitro C[C@H](Cl)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC(C)(C)C)C1 1875363672 RIUYUXXLYWFMDM-TUAOUCFPSA-N 317.861 2.339 50 50 DEGA CCOc1cccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)c1O 5314516 QWACBBJOTFWQCQ-RQZCQDPDSA-N 316.361 2.401 50 50 DEGA O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 221764 BTHLNRZVGJDTFW-UHFFFAOYSA-N 300.274 2.061 50 50 DEGA biogenic CCn1ncc(Br)c1/C=N/NC(=O)C1CCCC1 6961370 VDZRCHBYAHDODP-RIYZIHGNSA-N 313.199 2.306 50 50 DEGA C[C@H]1CN(C(=O)[C@@H](C)Cl)CCN1c1nc2ccccc2o1 1875380390 NEBKMPMKUUUFNJ-WDEREUQCSA-N 307.781 2.492 50 50 DEGA O=C(NCCI)OCc1ccccc1 38603627 BBNJIQPJPQOWDM-UHFFFAOYSA-N 305.115 2.348 50 50 DEGA in-vitro O=C(CCc1ccccc1)NNC(=S)NCc1ccccc1 5946849 YVVSJPWCKARBAE-UHFFFAOYSA-N 313.426 2.315 50 50 DEGA Cc1ccc(OCC(=O)NNC(=O)c2cccs2)c(C)c1 569193 HWEXCHIMBJAENN-UHFFFAOYSA-N 304.371 2.205 50 50 DEGA CC1(C)O[C@H]2C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 170172220 VBPYRQYBEKHPKA-GMTAPVOTSA-N 302.443 2.454 50 50 DEGA O=C(CSc1ncccn1)N/N=C/c1ccccc1Cl 233673 QYHYFOQSJGCURH-CAOOACKPSA-N 306.778 2.372 50 50 DEGA N#C/C(=C\c1cccc(Cl)c1)c1nn(CCO)c(N)c1C#N 4189327 PGFYELMQFAPKKF-IZZDOVSWSA-N 313.748 2.047 50 50 DEGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1 2566502 SQNNJMQPTKVBFM-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA CC(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 2551968 VZOZGPFKLGLECU-UHFFFAOYSA-N 313.382 2.009 50 50 DEGA CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)CCl)CC1 1875368607 DWKADYCEUKADMY-UHFFFAOYSA-N 308.781 2.081 50 50 DEGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 3135167 RPHCQXSVBWICGY-ABKXIKBNSA-N 324.336 2.476 50 50 DEGA CC(C)(C)OC(=O)NC[C@@H](F)CI 136800358 GVPFWSBKIVUQJO-LURJTMIESA-N 303.115 2.284 50 50 DEGA FC(F)(F)Cn1ccnc1CN1C[C@H]2[C@H](Br)[C@H]2C1 886786444 CVJCXRSNHAAMHJ-MBTKJCJQSA-N 324.144 2.271 50 50 DEGA Cc1ccc(-c2nc(C(=O)NN)c(-n3nc(C)cc3C)o2)cc1 2050025141 VVOIRXIKCFARFI-UHFFFAOYSA-N 311.345 2.056 50 50 DEGA Cc1nn(C)c(NNC(=O)c2ccc(-n3cccc3)cc2)c1C#N 1875349520 ANLJFIHFSZFFMY-UHFFFAOYSA-N 320.356 2.148 50 50 DEGA O=C(NNc1cccc(-c2cccnc2)n1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1875297301 KBLNSDDQEXMXHG-YUTCNCBUSA-N 322.368 2.202 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 69963 IPJWTSJMWTZDFW-GFCCVEGCSA-N 317.326 2.471 50 50 DEGA COc1ccc(/C(=C\C(=O)NNc2ccccc2)C(=O)O)cc1 5358448 NFUGTVTVAXVZJX-RVDMUPIBSA-N 312.325 2.307 50 50 DEGA C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 93832 GJQZCDXNERSHHO-NNLQFVHNSA-N 312.325 2.333 50 50 DEGA N#C/C(=C\c1ccc(Cl)cc1)c1n[nH]c(Cn2cncn2)n1 4051581 SBWFNDKRLFEOMK-VZUCSPMQSA-N 311.736 2.162 50 50 DEGA O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1ccc(O)cc1 13125167 KXXZRZZOAYFZGW-WJDWOHSUSA-N 306.321 2.264 50 50 DEGA C=CCNC(=S)NNC(=O)c1ccc(Cl)cc1Cl 4602749 IKASRRTXHURXIT-UHFFFAOYSA-N 304.202 2.288 50 50 DEGA COc1nccnc1NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 131914773 PTEVPAPGHWKPQB-QWRGUYRKSA-N 320.299 2.010 50 50 DEGA CN1CCC(N(C)C[C@H](NC(=O)CCl)c2ccccc2)CC1 1875364799 UOLSEYJIQKOSOD-INIZCTEOSA-N 323.868 2.109 50 50 DEGA C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cc(O)cc(O)c1 17053070 ZKJVEMMYWJZYIT-CXUHLZMHSA-N 315.285 2.160 50 50 DEGA CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)c(B(O)O)c1F 169904098 UCXQKSZNRSUFMW-UHFFFAOYSA-N 306.165 2.168 50 50 DEGA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@@H](F)Cl 2325898579 MEWQWELFXWWZGH-WCBMZHEXSA-N 300.765 2.373 50 50 DEGA O=C(N/N=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl 439105 RDJYNJLZQIWELE-LZYBPNLTSA-N 304.693 2.407 50 50 DEGA Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 442139 NGNUWEJPYIYCGW-MDWZMJQESA-N 310.313 2.395 50 50 DEGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1F 206340 ZWSMDOFJXULWNE-CQSZACIVSA-N 302.305 2.470 50 50 DEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1ccc(C(C)C)cc1 100608221 ZAZDHPIWXZPMOR-ZNBBLSJYSA-N 314.389 2.162 50 50 DEGA CCOc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OC 1738151 VZWXECCEYAACQA-YBFXNURJSA-N 313.357 2.440 50 50 DEGA C[C@@H](Cl)C(=O)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 1875377765 NBRIEBOYYWDORP-CHWSQXEVSA-N 305.809 2.391 50 50 DEGA Cc1cnc([C@H](C)N2CCN(C(=O)[C@@H](C)Cl)CC2)s1 1875366375 DZCQRCCWMLFTPD-MNOVXSKESA-N 301.843 2.284 50 50 DEGA COc1ccccc1/C=N/NC(=O)CSc1ccccn1 195940 QAQGAHWCGCCZJJ-LICLKQGHSA-N 301.371 2.333 50 50 DEGA NNC(=O)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 392118 DKOLRGFOTAGWBA-UHFFFAOYSA-N 322.368 2.302 50 50 DEGA CCOC(=O)C(C)(C)C(=O)C(Br)Br 238293738 ARJLYCRZQYTIBE-UHFFFAOYSA-N 315.989 2.261 50 50 DEGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1 228273 XYSYYDJCQQFCGI-RQZCQDPDSA-N 300.314 2.447 50 50 DEGA COc1ccc(/C=N/NC(=O)CNc2ccccc2C)cc1O 431987 XQGBGILKBGPXEB-VXLYETTFSA-N 313.357 2.271 50 50 DEGA CO[C@H](C(=O)NNC(=O)c1ccccc1Cl)c1ccccc1 2965594 QHOUREZQZFRAEO-AWEZNQCLSA-N 318.760 2.489 50 50 DEGA C[C@H](Cl)C(=O)N[C@H](CC1CCCCC1)[C@H]1COCCO1 1875377732 MHHQEFWBRYKVIQ-IACUBPJLSA-N 303.830 2.484 50 50 DEGA C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CNC(=O)CCl 1875377492 FWYQJBAHVBGMTP-MNOVXSKESA-N 304.818 2.235 50 50 DEGA CN(C)c1cccc(C(=O)N/N=C/c2cccc(F)c2O)c1 1775994716 KAQHVVVLEKPZMJ-VCHYOVAHSA-N 301.321 2.361 50 50 DEGA Cc1nc(C)c(S(=O)(=O)N2CCSSCC2)s1 952988882 JOTKORWZUIJYFH-UHFFFAOYSA-N 310.491 2.146 50 50 DEGA CC(C)c1ccc(NC(=O)c2ccc(Cl)c(B(O)O)c2)cc1 169744477 WBRIHLSSCPZOJT-UHFFFAOYSA-N 317.581 2.396 50 50 DEGA NNC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 35576328 QHJBILLNUCLTTA-UHFFFAOYSA-N 308.341 2.259 50 50 DEGA CC(C)(C)OC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl 17398529 JJBCYAJXTHAVOL-UHFFFAOYSA-N 315.713 2.418 50 50 DEGA O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccnc1 2880888 PSCFQLLWZASCTF-UHFFFAOYSA-N 321.789 2.288 50 50 DEGA CC(C)(C)OC(=O)N1CCSC[C@@H]1CCNC(=O)CCl 1875376949 NVQBJAQLNIQUCT-JTQLQIEISA-N 322.858 2.084 50 50 DEGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccncc1 36194 YSEIMMXFCQXESG-AWEZNQCLSA-N 317.304 2.406 50 50 DEGA C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)O 169747840 NNANGMFTFSNDLW-GWOFURMSSA-N 301.459 2.232 50 50 DEGA in-vitro COC(=O)[C@@]1(C)c2[nH]c3ccccc3c2CCN1C(=O)CCl 486996 BCSIRYFYAKLJDK-MRXNPFEDSA-N 320.776 2.180 50 50 DEGA Cc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 2066061 SWWOWAJWCQPNSL-VGOFMYFVSA-N 318.245 2.168 50 50 DEGA CCCc1cc(C(=O)NNC(=S)NCC)c2ccccc2n1 8684275 DUAFQOSUFYADKU-UHFFFAOYSA-N 316.430 2.316 50 50 DEGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 242395 GPXANBMLBHEYTF-KRWDZBQOSA-N 320.352 2.445 50 50 DEGA CCOc1cccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)c1O 9009204 MEXIFMUBPYFJES-RQZCQDPDSA-N 314.345 2.155 50 50 DEGA C[C@@H](Cl)C(=O)Nc1ccc(Cc2nnc3ncccn23)cc1 1875380356 MJNSFZMJCQUSTN-SNVBAGLBSA-N 315.764 2.281 50 50 DEGA Cc1cccc([C@@H]2C[C@@H]2C(=O)NNc2c(C#N)c(C)nn2C)c1 1875344261 ACEWMZFEQGLOBR-KBPBESRZSA-N 309.373 2.155 50 50 DEGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C 32181171 SWNWEPUEKVCPHS-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 12652543 PTIJMTFWZVTSED-UHFFFAOYSA-N 314.732 2.333 50 50 DEGA CC1(C)COB(c2ccc(F)cc2CBr)OC1 169807491 DQRRGFNBYBOFHI-UHFFFAOYSA-N 300.964 2.489 50 50 DEGA in-vitro CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1ccc(C(C)C)cc1 100608216 ZAZDHPIWXZPMOR-BFERYNQYSA-N 314.389 2.162 50 50 DEGA CO[C@@H](C(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccccc1 444280 YODSURPUHJQYMM-CLXYIWAZSA-N 312.325 2.223 50 50 DEGA COc1nccnc1NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 131914552 PTEVPAPGHWKPQB-WDEREUQCSA-N 320.299 2.010 50 50 DEGA C[C@H](Cl)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NC(C)(C)C)C1 1875363669 RIUYUXXLYWFMDM-QJPTWQEYSA-N 317.861 2.339 50 50 DEGA Cc1cc(NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)nc(C)n1 128809510 KEOWSQJVMODSPY-KBPBESRZSA-N 300.337 2.479 50 50 DEGA C[C@@H](Cl)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 1875378176 WQXGCEUKJGVXCU-XCBNKYQSSA-N 322.213 2.254 50 50 DEGA COC(=O)c1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1 8565192 IMJONAVACRFRFO-AWQFTUOYSA-N 322.324 2.113 50 50 DEGA Cn1c2ccccc2c2cc(C(=O)NNC(=O)CCl)sc21 1386898 SHWQDJGDSANPNM-UHFFFAOYSA-N 321.789 2.393 50 50 DEGA C[C@@H](Cl)C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C 1875380543 RSNMKFHSPLSMKQ-TYNCELHUSA-N 324.856 2.079 50 50 DEGA Cn1c2ccccc2n2c(C(=O)NN)c(-c3ccccc3)nc12 302067 JEHDLIRBSTYVNT-UHFFFAOYSA-N 305.341 2.097 50 50 DEGA N[C@H]1CCCCCC[C@H]1C(=O)NNc1ncnc2ccsc12 151493083 AGZRZVZGSVXPCQ-MNOVXSKESA-N 319.434 2.432 50 50 DEGA O=C(CBr)NC1CCN(Cc2ccccc2)CC1 41722062 IOINEOJXCXIGON-UHFFFAOYSA-N 311.223 2.162 50 50 DEGA Cc1cccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 58892 HFKIOFCGLNTLHQ-VCHYOVAHSA-N 312.329 2.465 50 50 DEGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 228844 RXBLFQNYZIALOY-GIJQJNRQSA-N 323.312 2.095 50 50 DEGA O=C(NS(=O)(=O)c1ccc2ccccc2c1)C(Cl)Cl 2884393 ACTBXCYSGIQMTM-UHFFFAOYSA-N 318.181 2.448 50 50 DEGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(F)c1 4287573 RQRZLGVGKKHYEM-KEBDBYFISA-N 313.332 2.014 50 50 DEGA C[C@H](Cl)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)NC(C)(C)C)C1 1875363670 RIUYUXXLYWFMDM-SDDRHHMPSA-N 317.861 2.339 50 50 DEGA C[C@H](Cl)C(=O)N1CCN(c2ccc(F)cc2)C(=O)C1(C)C 1875380576 SNNJHBAHHSYAJO-JTQLQIEISA-N 312.772 2.407 50 50 DEGA O=C(CCl)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 1875376565 BCWFPZRVAFBTPG-QNSTZXKLSA-N 312.841 2.205 50 50 DEGA CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@@H]1CNC(=O)CCl 1875370073 AXMOZPMNHUDGOK-NEPJUHHUSA-N 316.829 2.377 50 50 DEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(F)c2)cc1 4355658 FIUNXRRQWBHLSD-YBFXNURJSA-N 313.332 2.477 50 50 DEGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(O)cc1 4679412 RRLHBKLQAFUOGX-LDADJPATSA-N 323.356 2.067 50 50 DEGA O=C(/C=C/NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 2893242 CQTRWQNUXMMKHY-MDZDMXLPSA-N 311.297 2.226 50 50 DEGA O=C(COc1ccccc1)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 285788 VXZVBDYLJPXXOF-JKSUJKDBSA-N 310.353 2.017 50 50 DEGA O=C1Nc2ccccc2/C1=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1 4949276 KBKWITSMDOTAJX-ZIAGYGMSSA-N 305.337 2.263 50 50 DEGA C[C@@H]1CN(C(=O)C(=O)NNc2ccccc2F)c2ccccc21 155593929 YTSORXIIJMUYPN-LLVKDONJSA-N 313.332 2.419 50 50 DEGA Cc1cc(OCC(=O)NNC(=O)c2ccco2)cc(C)c1Cl 146585 LWCXKNFXPODUSI-UHFFFAOYSA-N 322.748 2.390 50 50 DEGA C=CCNC(=S)NNC(=O)CC12CC3CC(CC(C3)C1)C2 4837472 MMPUFBBHGIEHPM-UHFFFAOYSA-N 307.463 2.274 50 50 DEGA O=CNNC(=S)Nc1ccc(Br)cc1Cl 17031871 VPZXDHPVJGUXTH-UHFFFAOYSA-N 308.588 2.050 50 50 DEGA CC[C@@H](NC(=O)/C(C#N)=C\c1cn(CC)nn1)c1ccccc1 899368545 JEDXOYRKOIBNON-SCOADAFUSA-N 309.373 2.472 50 50 DEGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(OC)cc1 3887710 KRXMBPNXXZLNMZ-CYBMUJFWSA-N 324.764 2.105 50 50 DEGA COc1ccc([C@H]2[C@H](CNC(=O)CCl)CCCN2C)cc1 1875364483 SAQMXPTXUQRELK-BBRMVZONSA-N 310.825 2.433 50 50 DEGA O=S(=O)(c1ccc(CCl)cc1)N1CC[C@]2(CCOC2)C1 687900966 XKHFTPVGNKRVGP-AWEZNQCLSA-N 315.822 2.227 50 50 DEGA O=C(N/N=C/c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1639856 VIQQTDMDKNJWHO-OQLLNIDSSA-N 314.257 2.267 50 50 DEGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1O 2742540 GDZXOPNMNJRXNC-XDHOZWIPSA-N 323.352 2.210 50 50 DEGA O=C(/C=C/NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2893248 OQYZVNSMUYCKLO-ZHACJKMWSA-N 311.297 2.226 50 50 DEGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1cc(C)n[nH]1 9329685 QGBLYJVDSGXFHO-FIIXFTDDSA-N 312.329 2.266 50 50 DEGA C=CCNC(=S)NNC(=O)c1ccc(Cl)c(Cl)c1 6317484 YLCLFUBSGOPMJB-UHFFFAOYSA-N 304.202 2.288 50 50 DEGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/C(C)=C/c1ccccc1 100574928 KCPCPLJHHOSEPY-ZKMYVOAFSA-N 312.373 2.094 50 50 DEGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@H]2COCC=C12 20000453 SAGQKLDBTNMTGA-HOTGVXAUSA-N 320.327 2.266 50 50 DEGA N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2Cl)C(C#N)=C(N)N1 136173759 DITSUOXCMPCXMJ-AWEZNQCLSA-N 320.743 2.197 50 50 DEGA C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CNC(=O)CCl 1875377493 FWYQJBAHVBGMTP-QWRGUYRKSA-N 304.818 2.235 50 50 DEGA N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@H]1c1cccnc1 5024340 CZROOLKGPPWQSJ-QMMMGPOBSA-N 307.235 2.042 50 50 DEGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1 4730310 HIYHMXMNHKZUJR-SJORKVTESA-N 315.380 2.042 50 50 DEGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)c1 6693374 RAACLVWKTUDGOZ-RQZCQDPDSA-N 316.361 2.314 50 50 DEGA O=S(=O)(CC=C(Cl)Cl)N1CCSSCC1 952963077 CQPPHQVWKKJYPM-UHFFFAOYSA-N 308.277 2.332 50 50 DEGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2F)n1 186660 JJXNVFNIDLMECC-CAOOACKPSA-N 318.377 2.475 50 50 DEGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2)C2=C1CCCC2=O 74945 FQJJAFNVQHTDEM-INIZCTEOSA-N 308.385 2.263 50 50 DEGA O=[P@](O)(c1ccccc1)c1nccn1C(F)(F)[C@@H](F)Cl 3185938 UHPKTHLQUJSPMI-SECBINFHSA-N 324.626 2.188 50 50 DEGA CC(C)[C@@H](CS(=O)(=O)c1ccccc1)OC(=O)CCl 43198924 LFHINAXTPXMSEC-GFCCVEGCSA-N 304.795 2.267 50 50 DEGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 232553 NXUDHJRUBRROAI-MKMNVTDBSA-N 307.697 2.044 50 50 DEGA CCn1ncc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1C 355850 KMGBPBCRMHXXEY-GIJQJNRQSA-N 314.389 2.357 50 50 DEGA O=C(CCC1CCCCC1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 373082 UVPOIFBNAFDZTH-ZIAGYGMSSA-N 324.421 2.385 50 50 DEGA CC(=O)Nc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 12379605 NEEYUJWBTFBNKC-ZROIWOOFSA-N 309.325 2.461 50 50 DEGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1 4330251 SYBMEGOWLJATIG-LICLKQGHSA-N 301.733 2.429 50 50 DEGA COc1cccc(/C=N\NC(=O)CNc2ccccc2C)c1O 32593049 YSTSLDZFNKVYJB-GRSHGNNSSA-N 313.357 2.271 50 50 DEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C12C[C@@H]2[C@@H]1CC(F)(F)C1(F)F 252430968 WILPAPVUDZVAGG-AIGBEWNKSA-N 316.250 2.415 50 50 DEGA COc1cccc(-c2nc(-c3ccc(B(O)O)cc3)cs2)c1 169744473 UTXLGRHVOMGHIG-UHFFFAOYSA-N 311.171 2.166 50 50 DEGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1 2025182 PCSUMMYJSNOKQI-WOJGMQOQSA-N 311.341 2.043 50 50 DEGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccs1 259415 YDQWKTJVLOCURG-RIYZIHGNSA-N 305.315 2.185 50 50 DEGA COc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(C)cc32)cc1 5730646 AVDUDCMAEFVPSW-UHFFFAOYSA-N 309.325 2.090 50 50 DEGA CCCCNC(=O)NS(=O)(=O)c1ccc(CCl)cc1 1710112 GGWPABAAMHLGJI-UHFFFAOYSA-N 304.799 2.213 50 50 DEGA O=C(N/N=C/c1ccccc1O)c1ccc(N2CCCC2=O)cc1 290923 YTMAPXFXQLVPDJ-XDHOZWIPSA-N 323.352 2.283 50 50 DEGA CCOc1cccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c1O 8569357 RXSUXONMFRLARG-AWQFTUOYSA-N 324.340 2.431 50 50 DEGA O=C(NNC(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 299398 MGNKWHBJNCUTDS-UHFFFAOYSA-N 319.704 2.323 50 50 DEGA O=C(CCCl)Nc1cc(SCCO)cc([N+](=O)[O-])c1 2744009 JYSINDJFVKEUCS-UHFFFAOYSA-N 304.755 2.247 50 50 DEGA COC1(CN(Cc2ccn(C)n2)C(=O)CCl)CCCCC1 1875374206 FQGHVRCUFHXYGD-UHFFFAOYSA-N 313.829 2.337 50 50 DEGA O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc(Cl)cc1 4259895 HVLZIKOXOLDXSL-RQZCQDPDSA-N 317.732 2.134 50 50 DEGA COc1cc(C(=O)N/N=C/c2ccc(C)o2)cc(OC)c1OC 259498 FXXFCWSZFDVOAV-RQZCQDPDSA-N 318.329 2.378 50 50 DEGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 4992169 SONFVBFLIUESJZ-LZYBPNLTSA-N 303.249 2.203 50 50 DEGA CCOc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1O 1901793 RZDQGBKPCARBEK-UHFFFAOYSA-N 314.370 2.009 50 50 DEGA COc1cc(C=NNC(=O)CCc2ccc(O)cc2)ccc1O 257346670 ZVAVLZGHCIHELY-UHFFFAOYSA-N 314.341 2.189 50 50 DEGA CCOC(=O)[C@@H](CC)C(C)=NNC(=O)c1ccc([N+](=O)[O-])cc1 252320796 SAABJYNYSFWSLM-ZDUSSCGKSA-N 321.333 2.290 50 50 DEGA O=C(CCCCBr)Nc1ncc(C(=O)O)s1 725256335 FNCKRWWDTISGOZ-UHFFFAOYSA-N 307.169 2.345 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccoc2C)c(OC)c1OC 381471 JZKTYQLOZWGQIB-RQZCQDPDSA-N 318.329 2.378 50 50 DEGA COc1nccnc1NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 132097893 YSTQBHVNJHGMOZ-RKDXNWHRSA-N 320.299 2.010 50 50 DEGA O=C(N/N=C\c1ccncc1)c1ccc(Br)cc1O 32061581 KFJUQPUABHTWEG-PXNMLYILSA-N 320.146 2.314 50 50 DEGA CCC[C@H](NC(=O)CCl)C(=O)N1CCc2sccc2C1 1320466391 JDMPBMDMBMPTGS-NSHDSACASA-N 314.838 2.157 50 50 DEGA C[C@@H](OC1CCCC1)C(=O)NCCSSCCC(=O)O 1875388719 NRAWAGWMDUYPEA-SNVBAGLBSA-N 321.464 2.306 50 50 DEGA CCOc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCC3)cc1 275637 PJDGZUTZQWVUCS-WOJGMQOQSA-N 312.373 2.451 50 50 DEGA O=C(N/N=C\c1ccccc1Br)c1cnccn1 32617903 QJBFBGQGJYPOAA-APSNUPSMSA-N 305.135 2.003 50 50 DEGA C[C@]12C[C@H](Br)[C@H](Br)C[C@@]1(C)C(=O)N2 254738017 ZEUFWIIXHNVBQQ-OVLTXKMTSA-N 311.017 2.202 50 50 DEGA Cc1cc(C)c(S(=O)(=O)NNC(=O)c2cccs2)c(C)c1 6399735 LVIUWROUFVKBAV-UHFFFAOYSA-N 324.427 2.297 50 50 DEGA CC1=CC[C@H](C(C)(C)NC(=O)CCl)C[C@@H]1NC(=O)CCl 107511965 KZFSELRXPVHNFL-QWRGUYRKSA-N 321.248 2.200 50 50 DEGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1 2566439 INMCVXPEDHYHCY-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA CCc1[nH]nc2c1[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 4453451 NTLMFOHZGQMOEC-LBPRGKRZSA-N 302.284 2.468 50 50 DEGA CCCN1CCC(=NNC(=O)c2ccc(OC)c(OC)c2)CC1 368601 PUUDZGSHIXFLMN-UHFFFAOYSA-N 319.405 2.295 50 50 DEGA C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1F)c1ccccc1 2902787 MUPGIYXCCURFAS-MKFNJMOCSA-N 313.332 2.153 50 50 DEGA CC1(C)NC(C)(C)[C@H](Br)C(=O)[C@H]1Br 59194697 SMSQRKIBWOTIMI-RNFRBKRXSA-N 313.033 2.243 50 50 DEGA in-vitro COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1 3008937 HHYHYXFVVBQQSI-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA Cc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)NN)C2(C)C)cc1 446652 RYMGRESMCKIYDL-CXAGYDPISA-N 303.406 2.366 50 50 DEGA C/C(=N\NC(=O)COc1cccc(C)c1)c1cc(O)cc(O)c1 43763783 WRSJLCDMDBLIMI-LDADJPATSA-N 314.341 2.325 50 50 DEGA CN(C)CCN(C)C(=O)c1cccc(-c2noc(CCl)n2)c1 34924941 HXSYLKSCTHSJRL-UHFFFAOYSA-N 322.796 2.109 50 50 DEGA N#CC1=C(N)[C@](C#N)(c2cccnc2)[C@@H](C#N)[C@H]2CCCC=C12 19827363 FTMSZMYDZCTLFS-QILLFSRXSA-N 301.353 2.459 50 50 DEGA CC(=O)c1cccc(NC(=S)NNC(=O)c2ccco2)c1 13519741 SLXRVNRFDKWRML-UHFFFAOYSA-N 303.343 2.114 50 50 DEGA CN(C)c1ccc(/C=N/NC(=O)c2cn3c(n2)CCCC3)cc1 43761226 XMJXRWVIIOJOKW-WOJGMQOQSA-N 311.389 2.049 50 50 DEGA O=C(CC1CCCCC1)NC1CCN(C(=O)CCl)CC1 1875364689 QMYXNVFMFLJXDY-UHFFFAOYSA-N 300.830 2.303 50 50 DEGA CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc2nc[nH]c2c1 585136011 LZWVETYDYXWZQJ-ZSOIEALJSA-N 312.373 2.401 50 50 DEGA C=CCSC1=NC(N)=C(C#N)C2(CCCCC2)[C@@H]1C(N)=O 19867729 PRXDPAKMTIOWTK-LLVKDONJSA-N 304.419 2.064 50 50 DEGA C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1ccccc1O 5677894 GBZFKDXUGCYQNL-XDHOZWIPSA-N 300.362 2.205 50 50 DEGA C[C@H](Cl)C(=O)N[C@@H](CC1CCCCC1)[C@@H]1COCCO1 1875377733 MHHQEFWBRYKVIQ-UBHSHLNASA-N 303.830 2.484 50 50 DEGA O=C(NNC(=S)NCc1ccco1)[C@@H]1C[C@@H]1c1ccccc1 17053355 RTIUJQGEVFFQBA-ZIAGYGMSSA-N 315.398 2.079 50 50 DEGA C[C@H](Cl)C(=O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1 1875364183 JKNWZZBDBXNMEL-UWVGGRQHSA-N 321.768 2.208 50 50 DEGA COc1cccc(/C=N/NC(=O)COc2ccccc2C)c1O 219785 RAIPKIAKMIIQOO-VCHYOVAHSA-N 314.341 2.238 50 50 DEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1 2566440 WGUASBZCECRTKD-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA Cc1csc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](C)Cl)C2)n1 1875363785 AAWNHLJNOJSEOZ-ZJUUUORDSA-N 315.826 2.256 50 50 DEGA NC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 2519946 XZEKTOGXCIEODH-GIJQJNRQSA-N 301.277 2.047 50 50 DEGA CC(C)(C)OC(=O)N1CCC[C@H]1C1(NC(=O)CCl)CC1 1875377386 DHCOVYPCUXJWEX-JTQLQIEISA-N 302.802 2.274 50 50 DEGA COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1ccccc1 613327 YYHKNLJMZIZZCE-UHFFFAOYSA-N 318.760 2.352 50 50 DEGA COC(=O)N1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]21 101042554 RUAPYDZHXLSHCZ-HBRWRRSLSA-N 312.989 2.126 50 50 DEGA O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21 100123389 ZIEWAMOXCOLNSJ-UHFFFAOYSA-N 318.543 2.436 50 50 DEGA in-vitro CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC(C)=C1C(=O)OC 135373 MLOABMRKDMDLAO-OAHLLOKOSA-N 314.341 2.340 50 50 DEGA CC(C)(C)OC(=O)N1[C@@H]2c3ccccc3[C@H]1[C@@H]1C(=O)OC(=O)[C@H]21 238166774 GXKPGCXFTICKPL-FNFFVJSTSA-N 315.325 2.349 50 50 DEGA C[C@H](Cl)C(=O)N1CCNC(=O)[C@@H]1c1c(F)cccc1Cl 1875377448 DVKAOZYGXDEOTB-CPCISQLKSA-N 319.163 2.106 50 50 DEGA CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 6401303 VKMBBRDSSOQGFG-LLVKDONJSA-N 309.435 2.093 50 50 DEGA COc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1OC 13635460 XCLHSCVNMZPUFT-AWQFTUOYSA-N 324.340 2.344 50 50 DEGA COc1ccccc1C(=O)N/N=C1\C(=O)Nc2c(C)cccc21 5730755 JBJWIOUQXXDGRE-UHFFFAOYSA-N 309.325 2.090 50 50 DEGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cccnc1 18266036 PTCRCUYPHBNQFT-YBFXNURJSA-N 321.340 2.045 50 50 DEGA COc1nccnc1NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 132098087 YSTQBHVNJHGMOZ-BDAKNGLRSA-N 320.299 2.010 50 50 DEGA O=C(CN1CCSCC1)N/N=C/c1cccc2ccccc12 4990440 MFCJGUDILDJNSY-LDADJPATSA-N 313.426 2.339 50 50 DEGA CN(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 18148740 SZJASHOKTAQWGE-WOJGMQOQSA-N 311.389 2.118 50 50 DEGA O=C(Cl)c1ccc(S(=O)(=O)NCCc2ccccc2)o1 1857800279 KBRCJJPAGCYWEA-UHFFFAOYSA-N 313.762 2.180 50 50 DEGA O=C(CCCC[C@H]1CCSS1)ON1C(=O)CCC1=O 100227841 WBCUIGFYTHUQHZ-VIFPVBQESA-N 303.405 2.308 50 50 DEGA Cc1cc(C)nc(NNC(=O)c2cc3cc(Cl)ccn3n2)n1 225799077 ODJGMJWRLAFSOK-UHFFFAOYSA-N 316.752 2.151 50 50 DEGA Cc1ccc(-c2ncc(C(=O)NN)c(-c3ccncc3)n2)cc1 4050543 RGWVVFAAYJHQMI-UHFFFAOYSA-N 305.341 2.118 50 50 DEGA CC(=O)NCCCN(Cc1c(C)cccc1C)C(=O)CCl 1875376218 PEPVOYMPSQBZFP-UHFFFAOYSA-N 310.825 2.397 50 50 DEGA Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 528705 WLJIJSDQNHJXKG-CXUHLZMHSA-N 313.386 2.144 50 50 DEGA C[C@H]1CN(C(=O)C(=O)NNc2ccccc2F)c2ccccc21 155594036 YTSORXIIJMUYPN-NSHDSACASA-N 313.332 2.419 50 50 DEGA CO[C@H]1CCCC[C@@H]1C(=O)NCCSSCCC(=O)O 1875388865 SUQFHXQOXFJQKU-QWRGUYRKSA-N 321.464 2.164 50 50 DEGA CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2C[C@H]2NC(=O)CCl)C1 1875375752 HNNNAKWFSPQMKW-SDDRHHMPSA-N 316.829 2.377 50 50 DEGA CCCN(C(=O)CCl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1336909968 KGFMFBFMRDRVKF-NSHDSACASA-N 304.818 2.473 50 50 DEGA C/C(=N\NC(=O)c1cc(-c2cccn2C)n[nH]1)c1ccc(O)cc1 12362459 GJGPQOVXDABULE-WOJGMQOQSA-N 323.356 2.275 50 50 DEGA Cn1c(=O)c(C(=O)N/N=C/c2ccccc2)c(O)c2ccccc21 299738296 RLVWSKZOJQDGMA-YBFXNURJSA-N 321.336 2.008 50 50 DEGA NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2769128 FZJOXZSVDMHGIP-UHFFFAOYSA-N 307.309 2.234 50 50 DEGA Cc1nn(C)c(C(=O)NNC(=S)Nc2ccccc2)c1Cl 373615 YZFCMBFIERAVHP-UHFFFAOYSA-N 323.809 2.013 50 50 DEGA CCCNC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2 6934689 OYXPQNGAAFNJPE-SECBINFHSA-N 311.476 2.392 50 50 DEGA Cc1cccc(NC(=S)NNC(=O)c2nn(C)cc2Cl)c1 13470855 VPNZSHCPHKYYQT-UHFFFAOYSA-N 323.809 2.013 50 50 DEGA O=C(Cn1ccc2ccccc21)NNC(=O)c1ccccc1F 14776210 ONRNFIRAFRYNNZ-UHFFFAOYSA-N 311.316 2.242 50 50 DEGA COc1ccc([C@@H]2[C@H](CNC(=O)CCl)CCCN2C)cc1 1875364487 SAQMXPTXUQRELK-XJKSGUPXSA-N 310.825 2.433 50 50 DEGA O=C(NNC(=O)c1ccc(O)cc1)Nc1ccc(F)cc1F 2169877 DTKZZELNUACATL-UHFFFAOYSA-N 307.256 2.137 50 50 DEGA O=C(NNC(=S)NCc1ccco1)[C@H]1C[C@H]1c1ccccc1 17053366 RTIUJQGEVFFQBA-KBPBESRZSA-N 315.398 2.079 50 50 DEGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 47865 UKXIFOICXHRQJJ-CYBMUJFWSA-N 316.263 2.445 50 50 DEGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1[N+](=O)[O-] 2166257 SFZDRNFWYMZFDT-NTUHNPAUSA-N 320.286 2.328 50 50 DEGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1O 69970 AVZJRMRPVMBAIL-HNNXBMFYSA-N 312.325 2.216 50 50 DEGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(F)c2)c1 4209954 RGQLDSRXHOLSBC-KEBDBYFISA-N 313.332 2.014 50 50 DEGA C[C@]12C[C@H](Br)[C@@H](Br)C[C@@]1(C)C(=O)N2 216347777 ZEUFWIIXHNVBQQ-XRRXOLGASA-N 311.017 2.202 50 50 DEGA C[C@H](Cl)C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 1875375780 IFFKFDXYBJVBQJ-STQMWFEESA-N 323.824 2.289 50 50 DEGA COC(=O)c1cc(OC)c(OCCCCl)cc1[N+](=O)[O-] 22012713 UMBVDMOFTQTPPF-UHFFFAOYSA-N 303.698 2.398 50 50 DEGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccco2)[nH]n1 264557 NHPAJGANJSHNEY-LICLKQGHSA-N 310.313 2.442 50 50 DEGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 8970257 YWKGQUCMKBJBFE-SNVBAGLBSA-N 320.345 2.071 50 50 DEGA CCOC(=O)NNC(C)=C1C(=O)CC(c2ccccc2)CC1=O 2080384109 WMZYCTVONPJKRT-UHFFFAOYSA-N 316.357 2.227 50 50 DEGA NC(=O)c1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 13321707 JEUDLQGDFOLZDC-KEBDBYFISA-N 306.325 2.031 50 50 DEGA CN(C)c1cccc(C(=O)N/N=C/c2c[nH]c3ncccc23)c1 1875260459 WJPCNWDULZATQC-RGVLZGJSSA-N 307.357 2.393 50 50 DEGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccncc1 18266042 OLBOUGNDABHMNN-YBFXNURJSA-N 321.340 2.045 50 50 DEGA O=C(Cn1c(=O)sc2cccc(Cl)c21)OCCCl 5716551 CZOHPNFNGJBYMO-UHFFFAOYSA-N 306.170 2.498 50 50 DEGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1O 207993 LKCRBRKQVHLDIG-INIZCTEOSA-N 309.325 2.201 50 50 DEGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1 3008941 NPDQAVMLBDCUGQ-WOJGMQOQSA-N 311.341 2.092 50 50 DEGA Cn1cc(C(=O)NNc2ccc(F)cc2F)c(C(F)(F)F)n1 113431474 IQGFLUJEFIOLAZ-UHFFFAOYSA-N 320.221 2.474 50 50 DEGA Cc1cc(Br)c(OCc2ccccc2)c(B(O)O)c1 169747931 ZHTKJZVSGFSMJR-UHFFFAOYSA-N 320.979 2.016 50 50 DEGA in-vitro O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccncc1 59269 NFZHWZFMXUIYCX-RQZCQDPDSA-N 311.370 2.200 50 50 DEGA CC(C)C[C@H](Br)C(=O)N[C@@H](CC(C)C)C(=O)O 1635528 SKIOHEOZWHHOCD-UWVGGRQHSA-N 308.216 2.412 50 50 DEGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1C 241538 GFEQSJGGJOLFAJ-HNNXBMFYSA-N 324.336 2.483 50 50 DEGA O=C(N/N=C/c1cccnc1)c1n[nH]c2c1CCc1ccccc1-2 264656 XBNVSQHHLRGALL-RGVLZGJSSA-N 317.352 2.334 50 50 DEGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(F)cc1 2553711 OJIJBSKXLHCEPE-KEBDBYFISA-N 313.332 2.014 50 50 DEGA Cc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 491811 SHNHPDJFRVMLBV-LICLKQGHSA-N 313.313 2.432 50 50 DEGA COc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1OC 5009976 TZHKGKUDCXTTEA-XDHOZWIPSA-N 313.357 2.182 50 50 DEGA C[C@@H](Cl)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 1875363722 VDKQTOUVOJSTAT-LLVKDONJSA-N 315.845 2.237 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 43663 YGRNOACUBKUYAH-HNNXBMFYSA-N 310.309 2.230 50 50 DEGA CN(C)C(=C(C#N)C#N)N1CCN(c2ccc(Cl)cc2)CC1 1399999 BFVLTHQJAACOLN-UHFFFAOYSA-N 315.808 2.282 50 50 DEGA Cn1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1=O 308288 ZOLLBPSTQVLDTB-VXLYETTFSA-N 321.336 2.008 50 50 DEGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 43712 JSFCGTGJSDAJNB-AWEZNQCLSA-N 311.297 2.410 50 50 DEGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)c1 6381771 UHEDNLQSEGWFLE-LICLKQGHSA-N 310.313 2.442 50 50 DEGA NNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 272380 ITJPRNJXVVRIJM-UHFFFAOYSA-N 308.297 2.414 50 50 DEGA CC(C)(C)NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 2910125 TYJAMPXIJZWJLG-FRKPEAEDSA-N 316.188 2.358 50 50 DEGA COc1ccc(CCNC(=O)[C@H](C)Br)cc1OC 32919989 LFLZCZFWIBFYNZ-VIFPVBQESA-N 316.195 2.146 50 50 DEGA CCc1[nH]nc2c1[C@H](c1c(F)cccc1F)C(C#N)=C(N)O2 971434 MXVDRUJEYUWDLY-NSHDSACASA-N 302.284 2.468 50 50 DEGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(\C)c1ccc(Cl)cc1 101127761 HVQZDETXEIIANU-YRUBURHZSA-N 320.780 2.082 50 50 DEGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1 381579 WATFUEFDZOXIBW-YBFXNURJSA-N 321.340 2.244 50 50 DEGA COc1ccc(C(=O)NN=Cc2cc(OC)ccc2O)cc1 254405968 HIAWBIPOUXZYHB-UHFFFAOYSA-N 300.314 2.173 50 50 DEGA Cn1ccc(NC(=O)/C(C#N)=C\c2ncccc2C(F)(F)F)n1 1776002203 WUBQNUFXGBLYPH-CLFYSBASSA-N 321.262 2.380 50 50 DEGA C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1cccs1 100590285 KCQCCIOOJKKKJQ-GZTJUZNOSA-N 319.386 2.082 50 50 DEGA C[C@H](Cl)C(=O)N1CCO[C@@H](COc2ccc(F)c(F)c2)C1 1875377726 MBPWQQYFUUHHMX-GXSJLCMTSA-N 319.735 2.198 50 50 DEGA COC(=O)CNC1=C(C#N)C(=O)C[C@H](c2ccc(C)s2)C1 100783284 ZJWQSBGRPJHKNS-SNVBAGLBSA-N 304.371 2.043 50 50 DEGA Cn1ncc(Br)c1/C=N/NC(=O)OC(C)(C)C 6824160 JROHBZHCXIGYEI-WUXMJOGZSA-N 303.160 2.041 50 50 DEGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(C)=O 62357 JHHYXPXFXAAATB-WOJGMQOQSA-N 312.325 2.384 50 50 DEGA COc1cccc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)c1 32617941 AFLXONLPQKFHCH-YVLHZVERSA-N 300.362 2.480 50 50 DEGA Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)OC(C)(C)C 409415370 CVZUXMPIEOEUGS-LICLKQGHSA-N 316.361 2.333 50 50 DEGA CCOC(=O)/C(C#N)=C1/C=CC(B2OC(C)(C)C(C)(C)O2)=CN1 170006911 PQWNZNLXRKTUQA-SEYXRHQNSA-N 316.166 2.002 50 50 DEGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 3135168 RPHCQXSVBWICGY-FVMDXXJSSA-N 324.336 2.476 50 50 DEGA Cn1cc(C(=O)NNc2cccnc2Cl)c(C(F)(F)F)n1 128615588 WNWZXPYGXGJCME-UHFFFAOYSA-N 319.674 2.244 50 50 DEGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 232284 XENORQJHPORSLZ-LZYBPNLTSA-N 304.693 2.407 50 50 DEGA CCCN1CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 4113327 KUFMKAOVPOKKHS-UHFFFAOYSA-N 304.350 2.186 50 50 DEGA O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1 4832394 NNSPAILBZJIBDE-UHFFFAOYSA-N 307.781 2.393 50 50 DEGA O=S(=O)(c1cccc(CCl)c1)N1CC[C@]2(CCOC2)C1 687897221 AOVJIWWLPUVBJI-AWEZNQCLSA-N 315.822 2.227 50 50 DEGA CC(=O)N(c1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)OC1=O 8383102 WFBZFPCMVAVRKD-JTQLQIEISA-N 302.113 2.188 50 50 DEGA O=S(=O)(NCCCCl)c1ccc(Br)cc1 4369099 RSRQIXOUDJOCFX-UHFFFAOYSA-N 312.616 2.356 50 50 DEGA in-vitro Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccco1 2965612 FMUSBSYWTJQOPF-UHFFFAOYSA-N 308.721 2.081 50 50 DEGA COC(=O)N[C@@H]1[C@H](C)C=C[C@H](C)[C@H]1I 254804527 UHBCANGCONBFBD-JQCXWYLXSA-N 309.147 2.357 50 50 DEGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccccn1 5061083 UTGVRLZAWNHJPV-UHFFFAOYSA-N 320.736 2.210 50 50 DEGA O=C(NCCCl)Nc1ccc(NC(=O)NCCCl)cc1 1569752 JWHWQBGXRFLSGK-UHFFFAOYSA-N 319.192 2.407 50 50 DEGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)o1 25539225 NPIIYAOEIZGWLE-QGMBQPNBSA-N 319.748 2.122 50 50 DEGA CCc1c(-c2csc(NNC(N)=O)n2)[nH]c(C)c1C(C)=O 283899227 UOCKQJJJJVPVBP-UHFFFAOYSA-N 307.379 2.207 50 50 DEGA O=C(Cc1cccs1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 35741581 FZUPUQVANPIDAE-RIYZIHGNSA-N 305.315 2.055 50 50 DEGA C[C@@H](Cl)C(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 1875377703 LNYKGZFIFVJHNO-MRVPVSSYSA-N 300.717 2.212 50 50 DEGA COc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1OC 37858770 FYXASDLQZONLGV-OVCLIPMQSA-N 323.352 2.322 50 50 DEGA Cc1cnc([C@@H](C)N2CCN(C(=O)[C@H](C)Cl)CC2)s1 1875366377 DZCQRCCWMLFTPD-WDEREUQCSA-N 301.843 2.284 50 50 DEGA COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1O 257058 NZSZVVYHEFEXHX-CXUHLZMHSA-N 315.285 2.073 50 50 DEGA Cn1c(=O)n(C)c2cc(/C=N/NC(=O)Nc3ccccc3)ccc21 268309 ARRONTYQKWQPEY-WOJGMQOQSA-N 323.356 2.033 50 50 DEGA COc1cccc(C(=O)NNC(=O)c2ccccc2Cl)c1 298814 NJNJBPSBWXRYHQ-UHFFFAOYSA-N 304.733 2.423 50 50 DEGA Cc1ccc(NC(=O)[C@@H]2CC[C@](C)(C(=O)NN)C2(C)C)cc1 446653 RYMGRESMCKIYDL-SUMWQHHRSA-N 303.406 2.366 50 50 DEGA COc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 332631 HUVWULNCGBXDRQ-UHFFFAOYSA-N 312.218 2.164 50 50 DEGA in-vitro C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@@H](F)Cl 2325898577 MEWQWELFXWWZGH-PSASIEDQSA-N 300.765 2.373 50 50 DEGA CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)OC)c1C 1465616 ICDNXBFLCKLCNY-UHFFFAOYSA-N 319.766 2.197 50 50 DEGA C[C@]12C[C@H](Br)[C@H](Br)C[C@]1(C)C(=O)N2 254738014 ZEUFWIIXHNVBQQ-BUVSBJAHSA-N 311.017 2.202 50 50 DEGA O=C(CCl)Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O 553484 ZPVGZIFJXSMNLY-QMMMGPOBSA-N 305.721 2.160 50 50 DEGA NNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 295927 VLEMEXIYQNZDOF-UHFFFAOYSA-N 301.371 2.093 50 50 DEGA O=C(N[C@@H]1CCCN(C(=O)CCl)C1)c1cc2ccccc2o1 1319683027 UPRCTXWJJYTICZ-GFCCVEGCSA-N 320.776 2.392 50 50 DEGA O=C(NCc1ccccc1)OCCI 71766935 RAUQDHTZVJRQNJ-UHFFFAOYSA-N 305.115 2.348 50 50 DEGA CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](C)Cl)Cc3cccnc3N2C1 1875376199 OSSGCEOJFKRWRW-MRVWCRGKSA-N 323.824 2.035 50 50 DEGA COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1O 4746699 NYFSSODYZAZEIZ-VXLYETTFSA-N 313.357 2.271 50 50 DEGA C[C@H]1OCC[C@@H]1C(=O)N/N=C/c1cn(CCC#N)c2ccccc12 2325754770 WAEGFZFWCCSLOS-LYDQLVNJSA-N 324.384 2.430 50 50 DEGA C/C(=N\NC(=O)CNC(=O)c1ccccc1F)c1ccccc1 4738182 QNODPQOTACHXQK-UDWIEESQSA-N 313.332 2.096 50 50 DEGA O=C(N/N=C\c1ccc(O)cc1)c1cncc(Br)c1 32666338 QEHHWMVKBHDUFX-SOFYXZRVSA-N 320.146 2.314 50 50 DEGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1cccs1 4567642 LAEAICIHMHJQSL-LFIBNONCSA-N 313.386 2.423 50 50 DEGA O=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccccc2)n[nH]1 9007892 WIHCFAHHVZLVRU-VCHYOVAHSA-N 322.324 2.252 50 50 DEGA C[C@H](Cl)C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 1875363686 RUAVRVDIYARGLL-LBPRGKRZSA-N 310.781 2.347 50 50 DEGA CC(C)(C)OC(=O)N1CCSC[C@H]1CCNC(=O)CCl 1875376950 NVQBJAQLNIQUCT-SNVBAGLBSA-N 322.858 2.084 50 50 DEGA CC(C)c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]n1 233074 VOGHKERXQPHDJW-OVCLIPMQSA-N 301.306 2.205 50 50 DEGA CCNC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 13482246 QXYXJIFTKRIAAK-UHFFFAOYSA-N 313.426 2.334 50 50 DEGA O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(Cl)cc1 46185 AOXOSAFMLLIPAQ-UHFFFAOYSA-N 318.716 2.113 50 50 DEGA O=C(/C=C/NNC(=O)c1ccncc1)c1ccc(Cl)cc1 2893270 XUHXCAXFMBHXRL-JXMROGBWSA-N 301.733 2.366 50 50 DEGA Cc1ccc(CNC(=S)NNC(=O)Cc2cccs2)cc1 17055079 IHJFJUVQDUUQMH-UHFFFAOYSA-N 319.455 2.295 50 50 DEGA C[C@@H](C(=O)N/N=C/c1ccccc1F)n1nc2ccccc2n1 124642 NTOTUDUATNRBML-HPAYWCODSA-N 311.320 2.282 50 50 DEGA O=C(CCC1CCCCC1)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 373084 UVPOIFBNAFDZTH-KBPBESRZSA-N 324.421 2.385 50 50 DEGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C12C[C@H]2[C@H]1CC(F)(F)C1(F)F 252430971 WILPAPVUDZVAGG-RERUZZKTSA-N 316.250 2.415 50 50 DEGA COc1cc(C(=O)NNc2ccccc2)cc(OC)c1OC 299148 LJACVXKNUXYNLM-UHFFFAOYSA-N 302.330 2.469 50 50 DEGA O=C1Nc2ccccc2/C1=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1 4949275 KBKWITSMDOTAJX-UONOGXRCSA-N 305.337 2.263 50 50 DEGA O=C(N/N=C1/CN2CCC1CC2)c1cc2ccccc2cc1O 4997369 YAPBLALJLJMRGS-MNDPQUGUSA-N 309.369 2.357 50 50 DEGA COC(=O)C[C@H](NC(=O)CCl)c1ccc(SC)cc1 1319674034 ARQSHOUJUCNRJY-NSHDSACASA-N 301.795 2.368 50 50 DEGA CCOc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 18324877 QUQLGBQZYHGSAT-WOJGMQOQSA-N 312.373 2.451 50 50 DEGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccccc1O 4680546 BNRJUQRSAPQSRB-LDADJPATSA-N 323.356 2.067 50 50 DEGA