smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C/C(=N\NC(=O)c1ccoc1C)c1ccccc1OCC(N)=O 1009047 QTCJNCHULMBLAD-VCHYOVAHSA-N 315.329 1.606 50 40 DDGB CC(=O)NNC(=S)NC(=O)c1ccc(Br)cc1 2064530 XIKMGAVAYZJGDO-UHFFFAOYSA-N 316.180 1.105 50 40 DDGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)NC1CCCCC1 5673402 PETDRFQDGLINKZ-UHFFFAOYSA-N 320.349 1.800 50 40 DDGB CCc1ccc(NC(=O)C(=O)NNc2nc(C)cc(C)n2)cc1 95942799 JTCQCHHEBIYDRP-UHFFFAOYSA-N 313.361 1.738 50 40 DDGB O=C(NNC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1 3151005 MSKQMHHPEGXPCP-UHFFFAOYSA-N 301.258 1.375 50 40 DDGB COc1cc(Br)c(/C=C(/C#N)C(N)=O)cc1OC 32256124 PKAKLORRPGFADV-BAQGIRSFSA-N 311.135 1.859 50 40 DDGB CCn1ccnc1P(c1nccn1CC)c1nccn1CC 103707516 FHDNXZVPXOAPNN-UHFFFAOYSA-N 316.349 1.094 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CCN2CCCCC2)cc1C 72273118 KFCYWWGLHRXDOS-UHFFFAOYSA-N 303.406 1.940 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1cc(OC)ccc1OC 255497845 IHHBVZPAXLKASC-UKTHLTGXSA-N 304.346 1.763 50 40 DDGB N[C@@H](Cc1ccccc1)C(=O)NNC(=O)OCc1ccccc1 71788267 FFSBBJDYCHMIDM-HNNXBMFYSA-N 313.357 1.514 50 40 DDGB in-vitro Nc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O 2181761 HEIHRPHIUMCQNP-FRKPEAEDSA-N 316.273 1.352 50 40 DDGB Nc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 6566024 JESSSGWLUZGABV-LZYBPNLTSA-N 300.274 1.647 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1 83317376 JEKMIAZZJHJBFA-GRSHGNNSSA-N 311.341 1.623 50 40 DDGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1O 3572482 XYYQKUKFIICKRW-WLRTZDKTSA-N 302.128 1.556 50 40 DDGB COC[C@@H](Cl)/C(N)=N/S(=O)(=O)c1ccc(Cl)cc1 1590896 JMRJFKAVGQWOMZ-SECBINFHSA-N 311.190 1.640 50 40 DDGB COc1cc(/C=N/NC(=O)Cc2cccn2C)cc(OC)c1O 552085 OBRJFNREWZICLV-LICLKQGHSA-N 317.345 1.441 50 40 DDGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(F)cc1 204848 PNEFGUCHAQDJGS-OMCISZLKSA-N 305.269 1.389 50 40 DDGB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1cccc2ccccc12 4939944 VKVIPTIGKSCIRT-UONOGXRCSA-N 323.801 1.974 50 40 DDGB CC[C@@H](NNC(=O)c1cc(C)oc1C)C(=O)Nc1cc(C)on1 14198899 UJJFVUIJDBTPAI-GFCCVEGCSA-N 320.349 1.845 50 40 DDGB C/C(=N/NC(=O)c1[nH]cnc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 8694218 VKDPDGWYHNQOIN-CHHVJCJISA-N 318.249 1.380 50 40 DDGB CCn1c(SCC(=O)NN)nnc1-c1ccc(OC)cc1 36724700 UBLJXSKEBAPQNM-UHFFFAOYSA-N 307.379 1.056 50 40 DDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)c(OC)c1 5687106 IEILEVXUOJJZJM-CYBMUJFWSA-N 312.329 1.954 50 40 DDGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)o1 5795556 MIVKOIGBXLSTSX-MKMNVTDBSA-N 305.246 1.671 50 40 DDGB CCn1ncc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c1C 13111509 ZZEGVFCTADWKGV-APSNUPSMSA-N 300.318 1.704 50 40 DDGB C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)c1cccc(F)c1 15133724 QJDXQHVPRDREOS-YRIIZNAFSA-N 321.352 1.617 50 40 DDGB CCOC(=O)N1CCC(=NNC(=O)c2ccc(O)cc2)CC1 5672620 CQGNZHFZOKPMSK-UHFFFAOYSA-N 305.334 1.730 50 40 DDGB Cc1cnn(CCC(=O)NNC(=S)Nc2ccccc2)c1 8579139 LLWQSXVEGVCWAQ-UHFFFAOYSA-N 303.391 1.599 50 40 DDGB C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C(=O)CBr 72207497 DXYQKQUIFUHBDI-WDEREUQCSA-N 317.227 1.773 50 40 DDGB COc1cccc(/C=N/NC(=O)Cn2nc(C)cc2C)c1O 188846 OGTYYSLCTZTHBB-LZYBPNLTSA-N 302.334 1.364 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 59515591 CJUWXGOAKLXDCP-LDADJPATSA-N 316.405 1.652 50 40 DDGB CC(C)N1C(=O)/C(=N/NC(=O)c2ccccn2)c2ccccc21 13563367 ULZKCDBXQPPTLJ-XDJHFCHBSA-N 308.341 1.971 50 40 DDGB O=C(N/N=C1/CCS(=O)(=O)c2ccc(Cl)cc21)C1CC1 98054207 SGVXWARYNQFHCA-PTNGSMBKSA-N 312.778 1.748 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccncc1 58746 QWZCHLWEOKVWQO-GZTJUZNOSA-N 300.318 1.275 50 40 DDGB COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccncc1 525182 DXOQVZZNSJGBMG-NSHDSACASA-N 305.721 1.555 50 40 DDGB COc1cc2c(cc1/C=N/NC(=O)c1cccc(O)c1)OCO2 409065032 GSSYPXCPUUHRSM-CAOOACKPSA-N 314.297 1.893 50 40 DDGB Cn1/c(=N\NC(=O)c2ccc(O)nc2)sc2ccccc21 102805613 GHVQYVZWSOTEGX-SAPNQHFASA-N 300.343 1.586 50 40 DDGB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNc1ncccn1 103048293 ZWJJWPNQYBCXET-CPWXYTRJSA-N 302.378 1.641 50 40 DDGB CCCCOc1ccccc1-c1n[nH]c(SCC(=O)NN)n1 26806715 DLZOJEUJRYVPLU-UHFFFAOYSA-N 321.406 1.733 50 40 DDGB COC(=O)c1[nH]c2ccccc2c1/C=C(/C#N)S(C)(=O)=O 32911443 KBOZIZWZKKRHQF-CLFYSBASSA-N 304.327 1.864 50 40 DDGB CC(C)(C)C(=O)[C@@H](I)S(C)(=O)=O 96517936 DJJYUJNZPIBPTE-LURJTMIESA-N 304.149 1.407 50 40 DDGB O=P(O)(NCCBr)NCCBr 5112863 FUNYDODCWWGJJA-UHFFFAOYSA-N 309.926 1.056 50 40 DDGB in-vitro O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2ccccc2)C1 5493833 INSMTSZJEXEZRB-ZJUUUORDSA-N 304.824 1.377 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1 251979 LHKIZJGGPDLGSE-WOJGMQOQSA-N 322.372 1.648 50 40 DDGB Cc1n[nH]c2c1[C@@]1(C(=O)N2C)C(C#N)=C(N)Oc2ccccc21 4454281 ZRMQWJMSRRXIEJ-INIZCTEOSA-N 307.313 1.067 50 40 DDGB Cc1cc(O)nc(NN2[C@@H](Cl)C(=O)[C@H]2c2ccccc2O)n1 16958242 NAEPIZSYQQJLHE-DGCLKSJQSA-N 320.736 1.714 50 40 DDGB CCC(CC)=NNC(=O)C(=O)Nc1cc(OC)ccc1OC 5416789 GSOVGEYDQVCTPO-UHFFFAOYSA-N 307.350 1.935 50 40 DDGB NNS(=O)(=O)c1ccc(N(CCCl)CCCl)cc1 1646563 KWLTXQRWFQMCQC-UHFFFAOYSA-N 312.222 1.123 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1 29737647 JTFWXDVLWDKNAY-CQSZACIVSA-N 317.389 1.261 50 40 DDGB COc1cccc(OCNC(=O)NNC(=O)c2ccncc2)c1 3356229 BINUGHIBYQPCAC-UHFFFAOYSA-N 316.317 1.071 50 40 DDGB CCc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2307126 XNBPIEURJQVDLW-HNRFISLBSA-N 318.398 1.459 50 40 DDGB C=CCNC(=S)NNC(=O)c1ccc2c(c1)nc(C)n2CC 3207186 ITORNKAJONXQHI-UHFFFAOYSA-N 317.418 1.660 50 40 DDGB O=C(N/N=C/c1ccco1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409166189 BYNHDNCGBYNGMJ-KECVIQKOSA-N 315.304 1.922 50 40 DDGB C[C@@]12OC(=O)[C@]1([C@H](O)[C@@H]1C=CCCC1)NC(=O)[C]2CCCl 1560407489 GXKIKQOJDGFQKJ-OLJUCXRQSA-N 312.773 1.091 50 40 DDGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccco2)cc1 59516245 MNZYETUAQBVLPR-JDAJCMJVSA-N 315.329 1.616 50 40 DDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccn2)c1C 8728709 HWNKSVUSSXLPJG-UHFFFAOYSA-N 300.318 1.304 50 40 DDGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(N)=O)c1C 408938136 KUMPWEIUWBTSHU-DJKKODMXSA-N 312.373 1.646 50 40 DDGB N#C/C(C(=O)NCCc1ccccc1)=C1/N=C(N)c2ccccc21 73641588 NGNOLVOSJHEWGZ-MSUUIHNZSA-N 316.364 1.999 50 40 DDGB CC(=O)N[C@H](C)C(=O)NNC(=O)c1oc2ccccc2c1C 22698843 IJFYQRGHGYYYTB-SECBINFHSA-N 303.318 1.027 50 40 DDGB CN(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 8358315 OWRPLXQQEPBAMB-UHFFFAOYSA-N 304.371 1.871 50 40 DDGB O=C(NNC(=O)c1cccs1)c1cnn(-c2ccccc2)n1 9512485 ZSVGZHGGDRCCPW-UHFFFAOYSA-N 313.342 1.404 50 40 DDGB O=C1[C@@H]2[C@@H]3C[C@@H]4[C@H]5[C@H]3[C@H]1[C@](F)([C@@H]5I)[C@H]42 102946466 RUJMCBCIMWTKLD-YXXLFHLRSA-N 304.102 1.839 50 40 DDGB CCOc1ccccc1/C=N/NC(=O)C(=O)NC1CCCCC1 59435521 BTCONSPCWBGSPM-LDADJPATSA-N 317.389 1.984 50 40 DDGB Cc1ccc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)cc1 16293554 LEEFKTTZYYDYRT-UHFFFAOYSA-N 308.341 1.571 50 40 DDGB COC(=O)[C@@]1(NC(C)=O)C[C@@H](c2ccccc2)C=C(C#N)O1 4267385 SMABZDRNZNTMND-XJKSGUPXSA-N 300.314 1.603 50 40 DDGB biogenic N#CC(C#N)=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 920248 MBTDKBXFNZLUJC-UHFFFAOYSA-N 320.352 1.931 50 40 DDGB Nc1ccc(S(=O)(=O)S(=O)(=O)c2ccc(N)cc2)cc1 1726758 LZEVOSYJRMXMIZ-UHFFFAOYSA-N 312.372 1.014 50 40 DDGB N#CC(NC(=O)CN1C(=O)c2ccccc2C1=O)=C(Cl)Cl 2890491 WKBQZVKQIXEMNM-UHFFFAOYSA-N 324.123 1.569 50 40 DDGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Cl)c1 408852905 XDEXPBXURUPZBE-YHYXMXQVSA-N 308.721 1.799 50 40 DDGB CC(=O)N/N=C/c1ccc(O)c(I)c1 408905004 RTAUXJPPWWNMDA-VZUCSPMQSA-N 304.087 1.467 50 40 DDGB Cc1nn(C)c(C(=O)N/N=C/c2c(C)nn(C)c2F)c1Cl 252497179 QAVXNKCUWXUJLJ-PJQLUOCWSA-N 312.736 1.327 50 40 DDGB C/C(=N\NC(=O)C[n+]1ccccc1)[C@H]1CCC[C@@H]([N+](=O)[O-])C1 5370129 VKOJQAUMZYWQPG-AXAJZXMSSA-O 305.358 1.302 50 40 DDGB N[C@@H](Cc1ccc(OCCCBr)cc1)C(=O)O 1542984439 ZROIPVFQPLANOM-NSHDSACASA-N 302.168 1.805 50 40 DDGB CC1CCC(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1 12736322 LVQGBBYEEWOWPT-UHFFFAOYSA-N 319.361 1.938 50 40 DDGB O=C(/C=C/C1=CCCC1)NNC(=O)[C@H]1COc2ccccc2O1 73397947 ULTMDSJATFIPFD-BOLDSZDNSA-N 314.341 1.640 50 40 DDGB COc1cc(-c2ncc(C(=O)NN)c(C)n2)cc(OC)c1OC 223455391 YRYAAIFZJBYEPK-UHFFFAOYSA-N 318.333 1.081 50 40 DDGB N#C/C(=C/c1cc(CSc2nnc(N)s2)cs1)C(N)=O 96837516 CKVQFIUPVWRYDE-UQCOIBPSSA-N 323.428 1.866 50 40 DDGB CCn1ncc(/C=N/NC(=O)c2c(Cl)cnn2CC)c1F 252478353 AJXYQXIHWRXCSP-PJQLUOCWSA-N 312.736 1.676 50 40 DDGB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)OCc1ccccc1 169227649 SDLSNWISSFHCKT-GHMZBOCLSA-N 303.767 1.317 50 40 DDGB CCOC(=O)[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccccc1 1602618 PBDNSVIBFFNKTR-ZJUUUORDSA-N 320.172 1.572 50 40 DDGB O=C(CI)Nc1ccc(O)c(C(=O)O)c1 1685744 MKLLOSKGYCSGFK-UHFFFAOYSA-N 321.070 1.464 50 40 DDGB N#CC1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1cccc(F)c1 3073385 NEEHYNMRVBCUAZ-VIFPVBQESA-N 316.317 1.790 50 40 DDGB C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)C1CCCCC1 101544701 PXLPCZFGCVYOCI-CRRKTRLDSA-N 309.410 1.744 50 40 DDGB O=C(C[C@H]1CCS(=O)(=O)C1)N/N=C/C=C/c1ccccc1 7750397 FHXJTPQMRGIOFR-IQOVBFBVSA-N 306.387 1.627 50 40 DDGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(O)c1 6970280 SFTKMJURYMEAKC-UHFFFAOYSA-N 300.270 1.196 50 40 DDGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)N(C)C)c2ccccc21 408774122 ACKUTGSMDNIILI-WQLSENKSSA-N 311.341 1.809 50 40 DDGB COc1cccc(N(C(=O)CCl)[C@H]2C=CS(=O)(=O)C2)c1 40177659 YTDYDQABXCOLBL-NSHDSACASA-N 315.778 1.578 50 40 DDGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(N)cc1 96519089 AHMORSJGUBWOOC-NXEZZACHSA-N 308.197 1.458 50 40 DDGB Cc1ccnn1CC(=O)N/N=C/c1ccc(Br)o1 139113 WFZVZEDJYZZZRN-AWNIVKPZSA-N 311.139 1.697 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 7869669 QOTCXVYSJYJZQC-WOJGMQOQSA-N 303.362 1.474 50 40 DDGB CSc1nc(NC(C)C)nc(N2C[C@H](CCl)OC2=N)n1 4793806 PYKSKENZRFOMAK-ZETCQYMHSA-N 316.818 1.793 50 40 DDGB O=C(CCCc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9420972 WIWKTDKPWGOLHW-QWHCGFSZSA-N 315.822 1.530 50 40 DDGB O=C(Cc1ccc(Cl)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 9483990 YGELZJOABRTIPM-GHMZBOCLSA-N 322.213 1.403 50 40 DDGB CCn1c(C)nc2cc(C(=O)NNC(=O)NC(C)C)ccc21 29657478 NCKWSSCNLHQBKT-UHFFFAOYSA-N 303.366 1.717 50 40 DDGB O=C(Cl)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 26508661 UPHHJWOKKGHRCY-UHFFFAOYSA-N 315.669 1.719 50 40 DDGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1cccs1 569189 MLZDECKMWXBJTA-UHFFFAOYSA-N 321.314 1.496 50 40 DDGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OC)cc1OC 3058080 AYPBQHSHRZBMOA-MHWRWJLKSA-N 307.350 1.022 50 40 DDGB O=C(O)/C=C/C(=O)NNC(=O)c1ccc(Cl)cc1Cl 4508736 UVLKLXAGHNEJRK-ONEGZZNKSA-N 303.101 1.395 50 40 DDGB COC(=O)c1cc(NC(=O)NNC(=O)C(C)C)c(F)cc1F 95456134 URKRXEXGECMOJW-UHFFFAOYSA-N 315.276 1.560 50 40 DDGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(N(C)C)cc1 59515330 ABTUUXIPOIWTBQ-WOJGMQOQSA-N 304.394 1.365 50 40 DDGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1cccc(O)c1 59516052 SKUYJMDIGKRDRL-GZTJUZNOSA-N 303.362 1.681 50 40 DDGB Cc1nc2c(c(=O)n1NC(=O)CCl)[C@@H]1CCCC[C@H]1S2 9942928 WPJXFJRGSAPKJR-RKDXNWHRSA-N 313.810 1.993 50 40 DDGB NNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 66057343 KTAQXDRCCYIPED-UHFFFAOYSA-N 316.188 1.836 50 40 DDGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(N)=S 408542091 GQESHJMKKMUPGT-XFFZJAGNSA-N 318.358 1.624 50 40 DDGB O=C(NC[C@H]1CCCO1)NN=C1CCN(C2CCCC2)CC1 71830869 CXQWEYZGNGGQTF-OAHLLOKOSA-N 308.426 1.859 50 40 DDGB NC(=O)CCn1cc(/C=N/NC(=O)c2ccco2)c2ccccc21 409373853 VLGVYPHNOMJISF-VXLYETTFSA-N 324.340 1.874 50 40 DDGB Cn1nc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)c2ccccc2c1=O 38720327 PSULSGMMPCSRPL-XRIVAGQSSA-N 308.341 1.615 50 40 DDGB O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccco1 8921675 QJQPJASRKXRCQC-UHFFFAOYSA-N 318.713 1.695 50 40 DDGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 3261568 JSVUDEXSCMFFID-CAOOACKPSA-N 312.281 1.877 50 40 DDGB O=C(CN1CCOCC1)NN=C(c1ccccc1)c1ccccc1 20405334 CYBBHOFCCHEENN-UHFFFAOYSA-N 323.396 1.887 50 40 DDGB Cc1c(C(=O)NN=Cc2cccc(O)c2)sc(N)c1C#N 408730100 NDPWQAXBDCZNLT-UHFFFAOYSA-N 300.343 1.980 50 40 DDGB CC[C@@H](NNC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 14022670 SCJLKANEPAJUED-GFCCVEGCSA-N 302.334 1.635 50 40 DDGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccccc1Br 535454 FLNMJBZENIMKIS-VGOFMYFVSA-N 323.150 1.571 50 40 DDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccoc2C)[C@@H](C(=O)O)C1 4651802 MTQZTMNKTCNVAK-OLZOCXBDSA-N 320.345 1.796 50 40 DDGB Cn1cc(C(=O)NNC(=O)Cc2cccnc2)c2ccccc21 69651974 RAKQLOICOKYJDS-UHFFFAOYSA-N 308.341 1.577 50 40 DDGB O=C(N/N=C/c1ccc(F)s1)c1ccn(Cn2cccn2)n1 252478055 ABRPSMNRZXGONU-OVCLIPMQSA-N 318.337 1.550 50 40 DDGB COc1cccc(-c2cc(C(=O)NN)c3c(C)nn(C)c3n2)c1 12394830 NUZUBVIYYSHFFZ-UHFFFAOYSA-N 311.345 1.556 50 40 DDGB N#CCc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 44980589 DEYJRKVCRQPHFR-UHFFFAOYSA-N 323.308 1.556 50 40 DDGB CCN1C(=O)/C(=N\NC(=O)c2ccncc2)c2cc(C)ccc21 100869983 XUNSKPYSWUYWHY-CYVLTUHYSA-N 308.341 1.891 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@@H]2CNCC=C12 26743682 OQFZNBNDGIPUEI-GDBMZVCRSA-N 319.343 1.839 50 40 DDGB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NNc1ncccn1 96257582 IPIGQRUNRHORFU-UAWPZABVSA-N 321.406 1.178 50 40 DDGB CNC(=O)C1(C(=O)NNC(=O)c2ccccc2Cl)CCC1 69737024 QZFLWCDPMSLTCS-UHFFFAOYSA-N 309.753 1.017 50 40 DDGB O=C(CN1CCOCC1)N/N=C\c1ccc(N2CCCC2)cc1 408845785 LNEKBACKTTUSHD-AQTBWJFISA-N 316.405 1.069 50 40 DDGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cc(O)ccc1O 408562893 GDMHTUZKBFVTHS-ZXMBATIKSA-N 300.314 1.672 50 40 DDGB O=[N+]([O-])c1cc2c(cc1[C@H](O)CBr)OCCO2 80340162 RSLHFPJTCMENQS-MRVPVSSYSA-N 304.096 1.794 50 40 DDGB C(=N/CCC[Si]12OCCN(CCO1)CCO2)\c1ccccc1 195752861 KUCFAYAYBODOIU-BMRADRMJSA-N 320.465 1.814 50 40 DDGB N#CC1=C(N)Nc2ncnn2[C@H]1c1cccc(Br)c1 55104078 UZMULUXOVJBQRU-JTQLQIEISA-N 317.150 1.749 50 40 DDGB O=C(O)CCC(=O)NNC(=O)COc1ccc2ccccc2c1 2132153 FVLZBLAFXLHSQA-UHFFFAOYSA-N 316.313 1.231 50 40 DDGB COC(=O)[C@@H]1C[C@@H](Cl)CN1S(=O)(=O)c1cccs1 4002044 LSBVQDQGACTJDL-SFYZADRCSA-N 309.796 1.292 50 40 DDGB C/C(=N\NC(=O)CNC1CCCCC1)c1ccc(O)cc1O 409383348 WHTYFXCFCPRIGG-WOJGMQOQSA-N 305.378 1.860 50 40 DDGB O=c1c2ccccc2n2c(CCl)nnc2n1C[C@@H]1CCCO1 408712746 NCTMBIFSCBHJNU-JTQLQIEISA-N 318.764 1.962 50 40 DDGB CCN(CC)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1 12527885 IJXSDAGLMINXCY-UHFFFAOYSA-N 314.389 1.946 50 40 DDGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(O)cc1O 13953984 IEKLSWOPLGEWNA-ADFUCPMPSA-N 300.314 1.672 50 40 DDGB Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1 34626 KNVBXDSBGRVLJW-UHFFFAOYSA-N 308.388 1.400 50 40 DDGB COc1ccc(C2=C(C#N)C(=C(C#N)C#N)NC(N)=C2C#N)cc1 1590337 OAXGKFNGNDSWLR-UHFFFAOYSA-N 314.308 1.571 50 40 DDGB Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 6504242 VPYDEBCQSYKJMH-UHFFFAOYSA-N 314.370 1.339 50 40 DDGB C=CCNC(=S)NNC(=O)Cn1c(CC)nc2ccccc21 9466586 XYZIFVPRSCVNRJ-UHFFFAOYSA-N 317.418 1.280 50 40 DDGB O=C(N/N=C/c1cncc2c(Cl)n[nH]c12)c1ccncc1 32616850 ZOJCXQBRCWHQQB-UBKPWBPPSA-N 300.709 1.770 50 40 DDGB C(=N\CCC[Si]12OCCN(CCO1)CCO2)\c1ccco1 231987429 UQYLORJIESSSRI-SQFISAMPSA-N 310.426 1.407 50 40 DDGB NNC(=O)CC1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 5861099 PJLRCBUCXFZQJU-UHFFFAOYSA-N 322.781 1.288 50 40 DDGB Cc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 3062113 WNFSUSDJRSEBRR-DEDYPNTBSA-N 309.369 1.804 50 40 DDGB COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OC 20248283 BQXQXUMEQQSSSN-GZTJUZNOSA-N 305.378 1.640 50 40 DDGB O=C1CC[C@H](C(=O)NN=C(c2ccccc2)c2ccccc2)N1 66278296 BRPUIXWRKUDWAF-OAHLLOKOSA-N 307.353 1.834 50 40 DDGB CC(C)(C)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)NN 98044069 OFQLPRSPFCCGLP-GFCCVEGCSA-N 309.366 1.086 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1 59515394 DELLJROUHCGNHO-WOJGMQOQSA-N 303.362 1.474 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC12OCCO2 1100064 LSAUEDKEWAOFEB-RKPNYOAGSA-N 319.317 1.588 50 40 DDGB O=C(NNC(=S)Nc1ccccc1)[C@@H](O)c1ccccc1 6898922 PLNJKZMPJMNACX-ZDUSSCGKSA-N 301.371 1.738 50 40 DDGB CC(=O)N[C@H](C(=O)N/N=c1/sc2ccccc2n1C)C(C)C 104923817 HDTDHAILCAMFEC-BWVAZPDUSA-N 320.418 1.332 50 40 DDGB CC(=O)O[C@H]1C=C(C=O)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 5373307 UKLMEFSRPRDOLD-NXNVCVFFSA-N 308.374 1.820 50 40 DDGB COc1ccc(CNC(=O)NNC(=O)c2ccc(F)cc2)cn1 32795250 JDAFYBJDZJCNBV-UHFFFAOYSA-N 318.308 1.374 50 40 DDGB Cc1cccc(OCCNC(=O)NNc2oc(C)nc2C#N)c1 48333942 GLNHWSSOIWVLCN-UHFFFAOYSA-N 315.333 1.868 50 40 DDGB Cc1cccc(C)c1OCC(=O)N/N=C1\N=C(N)c2ccccc21 16362392 QYJVRCNIEBPERI-UHFFFAOYSA-N 322.368 1.879 50 40 DDGB C[n+]1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 500269 GIHZDJJZWVGUCR-HNNXBMFYSA-N 310.377 1.962 50 40 DDGB COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1 320597 KFXJXTMIQWDOBY-UHFFFAOYSA-N 324.333 1.458 50 40 DDGB CCOc1ccc(/C=C(/C#N)C(=O)NC(N)=O)c(OCC)c1 409244458 CZAMOMQYUJSDNY-XFFZJAGNSA-N 303.318 1.586 50 40 DDGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CSc1ncccn1 5460316 AAAFDHRDUOUUQT-SMBGSVLFSA-N 322.390 1.404 50 40 DDGB C/C(=N\NC(=O)c1ccncc1)c1cc([N+](=O)[O-])ccc1O 101158317 RFWHZZHJARWNMD-CXUHLZMHSA-N 300.274 1.849 50 40 DDGB CCOC(=O)N/N=C1\C(=O)Nc2cc(Br)ccc21 17032400 VLJXHJRTGJSAGN-UHFFFAOYSA-N 312.123 1.851 50 40 DDGB CCCCOc1ccc(-c2n[nH]c(SCC(=O)NN)n2)cc1 26806886 ILIBXLGYBQXRKT-UHFFFAOYSA-N 321.406 1.733 50 40 DDGB CCCc1[nH]nc2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 5634057 YXQOGEZGFNDDJP-QGZVFWFLSA-N 321.340 1.687 50 40 DDGB COc1cccc(-c2nc(C)cc(SCC(=O)NN)n2)c1 223458871 OBJNCBBSHJUKNY-UHFFFAOYSA-N 304.375 1.543 50 40 DDGB CCOC(=O)NNC(=O)CCc1ccc(OC(F)F)cc1 30578793 JVOMDKFOQMYSQE-UHFFFAOYSA-N 302.277 1.998 50 40 DDGB NC(=S)N/N=C1/C(=O)N(CCCCCl)c2ccccc21 100710706 XIQYXKONTPKWNM-LFIBNONCSA-N 310.810 1.590 50 40 DDGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)C#N)cc1 103549589 IXKXWRDBQYNMOT-RQZCQDPDSA-N 303.318 1.381 50 40 DDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2)[C@H](C(=O)O)C1 4651733 OVJLHKCBJAJSNA-ZIAGYGMSSA-N 316.357 1.895 50 40 DDGB O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)C1CC1 57961817 ACBORGYFAPQOKC-UHFFFAOYSA-N 300.318 1.227 50 40 DDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccnc1 58884893 YGPPQVYJOZQWNH-WOJGMQOQSA-N 312.329 1.569 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1OC 59515575 PZRQJWUKOVXIFW-LICLKQGHSA-N 319.361 1.213 50 40 DDGB C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)c1cccc(F)c1 15133726 QJDXQHVPRDREOS-HIPSJFSSSA-N 321.352 1.617 50 40 DDGB CC[C@@H](NNC(=O)c1ccc(F)cc1)C(=O)Nc1cc(C)on1 9049776 CMIOXGZEEDMJGI-GFCCVEGCSA-N 320.324 1.774 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cs1 102211499 UZAIYRMWCWBWDI-XPXLGCRWSA-N 322.386 1.564 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-] 3141683 SXHNPBNXANBSAZ-NTUHNPAUSA-N 304.218 1.860 50 40 DDGB COc1cc(CCC(=O)NNC(=O)c2ccco2)cc(OC)c1 7959953 VIBQTGYNVSTFRC-UHFFFAOYSA-N 318.329 1.691 50 40 DDGB CN(C)C(=O)/C(C#N)=C\c1ccc(I)o1 408765063 ZDKQCGKUQYKLDF-ALCCZGGFSA-N 316.098 1.879 50 40 DDGB CCOC(=O)c1nc2c([nH]1)[C@H](c1ccncc1)C(C#N)=C(N)O2 5686422 WXDNVTKIVXIVAJ-SNVBAGLBSA-N 311.301 1.200 50 40 DDGB N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@H]1c1cccc(Cl)c1 481932 WPIAIRQLZSUJTL-VIFPVBQESA-N 316.704 1.347 50 40 DDGB COC(=O)c1ccc(C(=O)OC)c(NC(=O)NCCCl)c1 3226326 LYRCKOIYFDIGGU-UHFFFAOYSA-N 314.725 1.620 50 40 DDGB COC(=O)N1CCC(=NNC(=O)NCCc2cccs2)CC1 64921740 KILYBPXTGUSSNH-UHFFFAOYSA-N 324.406 1.808 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)cc1 409257129 QVZKEQBPPOECQW-GRSHGNNSSA-N 311.341 1.623 50 40 DDGB Cc1csc([C@@H](C)NCC(=O)NNC(=O)c2ccco2)n1 97112106 FPNMAFPBDHJQCJ-SECBINFHSA-N 308.363 1.156 50 40 DDGB CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 95983223 ODHLSJWGAUVWOX-GWCFXTLKSA-N 318.377 1.587 50 40 DDGB NC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 409093524 AAGSFKRANXKRHM-QDEBKDIKSA-N 303.072 1.065 50 40 DDGB CC(C)(O)C(=O)N/N=C/c1ccc(Br)cc1F 32578416 ZLZKCBFNSHUASY-MKMNVTDBSA-N 303.131 1.809 50 40 DDGB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCl)CC1 34781277 XMESWPVTWDPGSR-UHFFFAOYSA-N 323.824 1.625 50 40 DDGB NNC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 5205869 UEGOYEOTLQYTKM-QPEQYQDCSA-N 316.338 1.733 50 40 DDGB C[C@]12CC[C@@H](/C(=N/NC(=N)N)C1=O)[C@@]2(C)CBr 100891968 MWWIFFOPFPFRNH-KEOCYSDASA-N 301.188 1.226 50 40 DDGB COCCNC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1 255850637 YDUDOFMAUFEHRC-BJMVGYQFSA-N 310.737 1.724 50 40 DDGB COC(=O)/C(C#N)=C(\C#N)O[C@@]12CCCCCN1CCCN2 255188075 INBIZOGNWHQHDE-RDRICISKSA-N 304.350 1.000 50 40 DDGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N/NC(=O)CC#N 17211506 VZRIKFDJDYBVCH-SXGWCWSVSA-N 303.278 1.329 50 40 DDGB CCCCNC(=S)NNC(=O)[C@@H]1COc2ccccc2O1 6330098 ZCVIYCPNSXWCGV-LBPRGKRZSA-N 309.391 1.122 50 40 DDGB CC1(C)[C@]2(CBr)CC[C@@]1(C(=O)O)C(=O)OC2=O 103708031 NPZWOOZGEDGQLW-WDEREUQCSA-N 305.124 1.342 50 40 DDGB CN(C)N(C(=O)c1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 25050916 WQYAMWWATAHMQS-LBPRGKRZSA-N 322.386 1.539 50 40 DDGB NNC(=O)c1cc(C(=O)O)nc2ccc(Br)cc12 4948720 DERFPFDHMYFXSR-UHFFFAOYSA-N 310.107 1.299 50 40 DDGB O=C(C[n+]1ccccc1)N/N=C/c1cccc(Br)c1 2705149 VXGONGKVXSAUSU-MHWRWJLKSA-O 319.182 1.887 50 40 DDGB O=C(N/N=C1\C[C@H]2CC[C@H]1C2)C(=O)N/N=C1\C[C@H]2CC[C@H]1C2 107907114 OQLAOXNDCYBUFL-MUKCCRHESA-N 302.378 1.571 50 40 DDGB CCOC(=O)[C@H](Br)c1nc2ccccc2[nH]c1=O 17379512 HQNRIYDQTYXGKI-SECBINFHSA-N 311.135 1.922 50 40 DDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 408969427 NKEFWGVAGJHRTH-JSJZUPIVSA-N 307.350 1.069 50 40 DDGB CN(C)c1nc(N)nc(/C(C#N)=C/c2c(F)cccc2F)n1 11297816 QIKNFLZYSIHZGW-SOFGYWHQSA-N 302.288 1.862 50 40 DDGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)O 59515382 JPACCPYRWQJYDE-NRLRWNIESA-N 301.140 1.289 50 40 DDGB COCCNC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 59472239 KTZYSVVTCMYCJD-FRKPEAEDSA-N 318.160 1.206 50 40 DDGB CC(C)NS(=O)(=O)Cc1ccc(CNC=C(C#N)C#N)cc1 73125754 ANYQHDNZZWLCAI-UHFFFAOYSA-N 318.402 1.535 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@@H]2COCC=C12 808929 OHNMABALIOWWMV-CABCVRRESA-N 303.325 1.522 50 40 DDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1 16149691 DFQCGGPLLUXNPE-UHFFFAOYSA-N 324.358 1.528 50 40 DDGB C/C(N)=C(/C#N)C(=O)COC(=O)CSc1nc(C)cc(C)n1 21867554 PJJUHRNQLIOVAG-ZHACJKMWSA-N 320.374 1.054 50 40 DDGB CNC(=O)/C(C#N)=C1\S[C@@H](C)C(=O)N1c1ccc(C)cc1 9914816 ALKTXCBLDYIQML-RYPPMWICSA-N 301.371 1.945 50 40 DDGB Cc1cc(C)cc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1 225500222 HVJQZLIZIAENMG-UHFFFAOYSA-N 319.386 1.708 50 40 DDGB COc1ccc(/C=N\NC(=O)c2sc(N)nc2C)cc1O 31854402 QGUSTZOYNYVEGG-UUASQNMZSA-N 306.347 1.512 50 40 DDGB CN(C)c1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1[N+](=O)[O-] 3902886 YJBDQTLRSMWFBK-BJMVGYQFSA-N 323.316 1.902 50 40 DDGB CCc1n[nH]c2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 5610079 LXORQPODROVDLO-MRXNPFEDSA-N 307.313 1.297 50 40 DDGB COCCNC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 5006560 SQKCYILMHKDOJX-ACCUITESSA-N 303.362 1.939 50 40 DDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccnc1O 12940913 UDCHUUYCUYWULI-UHFFFAOYSA-N 321.720 1.524 50 40 DDGB CCCCOc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 5466162 PHLNXOOXCNXIEE-GZTJUZNOSA-N 305.378 1.840 50 40 DDGB Cc1cc(C)nc(NNC(=O)Cn2c(=O)oc3ccccc32)n1 22233751 NADHHCRMXQNXIP-UHFFFAOYSA-N 313.317 1.145 50 40 DDGB O=C(N/N=C/c1ccncc1)c1c(O)c2c([nH]c1=O)CCCC2 9301089 FOZHDLDJQONBGC-GIJQJNRQSA-N 312.329 1.118 50 40 DDGB CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(F)cc2F)n1 11297783 GNOAMPGFRZGMMN-WEVVVXLNSA-N 302.288 1.862 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cs1 102043548 CZGFSPZQBIMQAG-QSFUFRPTSA-N 320.370 1.340 50 40 DDGB Cc1ccc(CC(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 9388501 AUVUIZZYZWEJJB-UHFFFAOYSA-N 302.290 1.235 50 40 DDGB C=CCn1c(Cl)c(/C=N/NC(=O)c2cccnc2)sc1=O 10386449 CHTHSMJCMYCIMZ-LZYBPNLTSA-N 322.777 1.908 50 40 DDGB C[C@H]1CC(C)(C)[C@H](CNC(=O)CCl)[C@@H]1NC(=O)CCl 4844034 AXNCLGOFPPLGAX-YGOYTEALSA-N 309.237 1.747 50 40 DDGB C[C@H](C(=O)N/N=C/c1ccc(F)s1)n1cc([N+](=O)[O-])cn1 252497657 QMEBFMUZDSYDHV-MOLHFAFQSA-N 311.298 1.703 50 40 DDGB CC(C)(C)NNC(=O)c1cccc(C(=O)NNC(C)(C)C)c1 36993 VHMDEDSVCTUCFD-UHFFFAOYSA-N 306.410 1.752 50 40 DDGB O=C1OC(=O)[C@@H]2CC[C@@H]([C@@H]3CC[C@H]4C(=O)OC(=O)[C@@H]4C3)C[C@H]12 103546496 SNHKMHUMILUWSJ-ZKSVUJDCSA-N 306.314 1.218 50 40 DDGB CCOC(=O)NNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47062820 MAXICUCVMIUQCL-UHFFFAOYSA-N 308.319 1.389 50 40 DDGB CC(=O)Nc1ccc(CC(=O)NNC(=O)c2ccccn2)cc1 7123704 YHSSQTOTUUDASN-UHFFFAOYSA-N 312.329 1.044 50 40 DDGB C/C(=N\NC(=O)OC(C)(C)C)c1cccc(-n2cnnn2)c1 36289998 SDFZMACHKHECID-MHWRWJLKSA-N 302.338 1.911 50 40 DDGB Cc1cccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1 83327515 ZXXOVGRVLRYRAC-GRSHGNNSSA-N 311.341 1.623 50 40 DDGB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCl)c1C 12505009 VHCQZUHMZJPKKU-UHFFFAOYSA-N 304.799 1.731 50 40 DDGB O=C(CCl)NNC(=O)C(O)(c1ccccc1)c1ccccc1 2311291 MREFKPSDUJXPGQ-UHFFFAOYSA-N 318.760 1.309 50 40 DDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccs2)c1 320241 KKEKAHPXMLXXEA-UHFFFAOYSA-N 306.343 1.840 50 40 DDGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(N)=S 408544748 XKSYHWPSBPBQDI-XFFZJAGNSA-N 318.358 1.624 50 40 DDGB COc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1 216956325 ICPGTKLVLBPJCJ-UHFFFAOYSA-N 309.325 1.942 50 40 DDGB CC(=O)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 58317 UJYDXGKMPAMBMG-CQSZACIVSA-N 310.313 1.862 50 40 DDGB c1nc(SSc2ncnc3nc[nH]c23)c2[nH]cnc2n1 8616363 ULNKLXSTZWVSJH-UHFFFAOYSA-N 302.348 1.819 50 40 DDGB Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(O)cc2O)n1 503449 HCCCBWVEQDDJEZ-CXUHLZMHSA-N 302.334 1.452 50 40 DDGB NS(=O)(=O)c1sc(Cl)cc1C(=O)CBr 22002665 OZESFFKYLOCAOV-UHFFFAOYSA-N 318.601 1.627 50 40 DDGB O=C(CC(=O)N/N=C/c1ccccc1F)NCc1cccnc1 59461572 ATZQHQMZSIXRRT-RGVLZGJSSA-N 314.320 1.377 50 40 DDGB COc1cc(/C=C/C(=O)NNC(N)=S)ccc1OC(C)C 62714706 UPAXIMTVCQMBFI-FNORWQNLSA-N 309.391 1.360 50 40 DDGB CCCNc1nnc(S[C@@H](C)C(=O)NNC(=O)CC)s1 69657380 RSEUSACPHGONFO-ZETCQYMHSA-N 317.440 1.398 50 40 DDGB N#CCOc1ccccc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 5007665 UAKGWKATNVDXDH-IPJDOKCGSA-N 311.341 1.791 50 40 DDGB Cc1ccc(O)c(/C=N/NC(=O)c2[nH]ncc2Br)c1 256111 RVNCSNANHTUCQA-LHHJGKSTSA-N 323.150 1.950 50 40 DDGB COc1ccc(C(NC(=O)CCl)NC(=O)CCl)cc1 5661498 XJUWBCOLAQEYTK-UHFFFAOYSA-N 305.161 1.404 50 40 DDGB O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)C1CC1 15794457 IZKQKKBYPMHLPF-UHFFFAOYSA-N 309.753 1.017 50 40 DDGB NNC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1cccs1 32594579 VJJIYKWVNZLJBP-VDTYLAMSSA-N 313.429 1.342 50 40 DDGB COc1ccnc(NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 40510815 AWPQPQHCXUDZDI-UHFFFAOYSA-N 323.696 1.804 50 40 DDGB COc1ccccc1NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 12421664 BQUDFVCXSAPLIC-SCZZXKLOSA-N 318.782 1.221 50 40 DDGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccncc2)c1 59472865 GNGSPBMUBZMTFM-VCHYOVAHSA-N 313.313 1.397 50 40 DDGB COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1OC 3024943 IKJYQECRTRIADB-GYKGCMEESA-N 314.341 1.888 50 40 DDGB CCCNC(=O)N(NC(C)=O)c1nc(C(=O)OCC)cs1 3768072 AHLKRYMGNOMFTI-UHFFFAOYSA-N 314.367 1.297 50 40 DDGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)C(=O)NC(N)=O 409237318 VXBUGWLSUHZATH-XFFZJAGNSA-N 306.281 1.920 50 40 DDGB NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 225500423 LRVAHBMLCOXVQM-UHFFFAOYSA-N 309.322 1.230 50 40 DDGB NC(=O)N/N=C\CC(O)(C(F)(F)Cl)C(F)(F)Cl 17222872 LPAVFYYLYJWPGT-VVHNFQOZSA-N 300.039 1.425 50 40 DDGB Cc1nn(CC(=O)N/N=C/c2cccs2)c(C)c1[N+](=O)[O-] 543737 XRTNNKAOVLZBAZ-AWNIVKPZSA-N 307.335 1.620 50 40 DDGB CC(C)CC(=O)NNS(=O)(=O)c1ccc2oc(=O)ccc2c1 22903346 WSVNMZGTETXWHH-UHFFFAOYSA-N 324.358 1.149 50 40 DDGB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCl 12504875 HQWLLRJRTBXNIG-UHFFFAOYSA-N 319.814 1.180 50 40 DDGB in-vitro COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)OC(C)C 408604729 WLMUAUCRYYXKOM-FRKPEAEDSA-N 309.322 1.028 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1 26972863 VETXMLVQAZETHQ-ZDUSSCGKSA-N 302.286 1.189 50 40 DDGB O=C(NNC(=O)c1cc2cc(Cl)ccc2o1)c1cnccn1 11225958 OGHJZSJABKNCRG-UHFFFAOYSA-N 316.704 1.951 50 40 DDGB Cc1nccc(C(=O)NNC(=O)c2ccc3ccccc3n2)n1 84290722 FLLJUWRJIJOPLR-UHFFFAOYSA-N 307.313 1.408 50 40 DDGB C[C@@H](O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 83293721 ABDFSHQBMMARKH-VMSYHEBLSA-N 303.274 1.686 50 40 DDGB CCN1CCC(=NNC(=O)COc2ccc(OC)cc2)CC1 58373140 VHAKVNVSKMJSHD-UHFFFAOYSA-N 305.378 1.662 50 40 DDGB CC(C)CNC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5727133 SMUAESHIDSLKLJ-UHFFFAOYSA-N 321.421 1.122 50 40 DDGB Nc1c(C(=O)N/N=C/c2cccnc2)cnn1-c1ccccc1 159777 QHEYAQWZBQAQFY-VXLYETTFSA-N 306.329 1.613 50 40 DDGB CSc1ccc(C)c(C(=O)NNC(=O)Cc2cc[nH]n2)c1 69560723 AGBHBPHFQBTUKP-UHFFFAOYSA-N 304.375 1.444 50 40 DDGB COC[C@H](C)NC(=S)NNC(=O)/C=C/c1sccc1C 7975521 BHUHKVXXEFJADE-YEZKRMTDSA-N 313.448 1.600 50 40 DDGB COc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1OC 16758291 UEYHXMSJJCMSMK-UHFFFAOYSA-N 314.305 1.127 50 40 DDGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc(O)cc1 72336389 KLPMPPSIDXYJHK-YATXNGRTSA-N 323.352 1.372 50 40 DDGB COc1cccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)c1 220944 PQTDHOYXGUMJFW-LDADJPATSA-N 317.389 1.984 50 40 DDGB Nc1nonc1NC(=O)N/N=C/c1ccccc1C(F)(F)F 5771320 NNOCMNCYDYNNOH-FZSIALSZSA-N 314.227 1.826 50 40 DDGB COC(=O)CC/C(=N\NC(=O)c1ccc(C)cc1)C(=O)OC 16291882 GDFJCWQYNZUOAD-FOWTUZBSSA-N 306.318 1.207 50 40 DDGB C[C@H](CCl)OP1(=O)C[C@@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C1 16576372 GWVWTNYIUVYKNF-OCRDWSCQSA-N 314.662 1.993 50 40 DDGB CCOC(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 102365120 HSTBMIRIYWBPLY-CPWXYTRJSA-N 323.393 1.239 50 40 DDGB CNC(=O)/C(C#N)=C1/S[C@@H](C)C(=O)N1c1ccc(C)cc1 101113079 ALKTXCBLDYIQML-PTFXAJSMSA-N 301.371 1.945 50 40 DDGB NNC(=O)c1nc[nH]c1C(=O)Nc1ccc(Br)cc1 6645812 GKHJVMFRTZWYMU-UHFFFAOYSA-N 324.138 1.028 50 40 DDGB CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)c2ccccc2)C1 226073367 KNRDOMFBQTUYTG-UHFFFAOYSA-N 319.361 1.315 50 40 DDGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 582467 JTDQSFZSSSEFTB-OVCLIPMQSA-N 316.273 1.910 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)c2sc(N)nc2C)c1 140640 QQQYLUWQUDOTPY-FRKPEAEDSA-N 320.374 1.815 50 40 DDGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)CC(C)C 5375385 RLCOLUOSPVBODM-AWEZNQCLSA-N 308.334 1.540 50 40 DDGB CCCCc1[nH]nc2c1[C@@]1(CC[C@H]3CO[C@@H]1O3)C(C#N)=C(N)O2 8783485 ZIIRVNKLEOBBRV-OZUAJXCXSA-N 316.361 1.612 50 40 DDGB Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(C#N)n1C 8103820 QQZFDMSQONQFSV-QGMBQPNBSA-N 310.313 1.698 50 40 DDGB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1B(O)O 199555894 XKUPYQIWBDNXAB-UHFFFAOYSA-N 305.061 1.732 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(OC)c1 6170226 AYBQWSJBRGFVBK-OVCLIPMQSA-N 319.273 1.969 50 40 DDGB OC(CI)CI 5178438 DNKPFCQEGBJJTE-UHFFFAOYSA-N 311.888 1.217 50 40 DDGB biogenic CNS(=O)(=O)C[C@]1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br 5673933 GRBFFHTYMNSFCY-YKDSUIRESA-N 324.240 1.304 50 40 DDGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)[C@@H]1CC12CCC2 4188179 AZNRWTSBJLOQID-JTQLQIEISA-N 314.301 1.557 50 40 DDGB Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 1994363 VYQMFJZHIUHAAB-AWNIVKPZSA-N 318.249 1.000 50 40 DDGB C/C(CC(=O)NC1CCCC1)=N\NC(=O)Cc1csc(N)n1 100924772 BKVGXDBRKXOZBR-GIJQJNRQSA-N 323.422 1.209 50 40 DDGB C[C@H](CCc1ccco1)NC(=O)NNC(=O)c1cnccn1 32779704 NBDINOZWUODQMU-SNVBAGLBSA-N 303.322 1.035 50 40 DDGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N2CCOCC2)o1 39127395 YHHGCIQITNQKJU-QBFSEMIESA-N 303.362 1.892 50 40 DDGB COc1cccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c1 4535352 SNGMYOSQIDSKNE-KPKJPENVSA-N 309.329 1.402 50 40 DDGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])o1 5569639 ZHQFDFNOWCGLLO-RIYZIHGNSA-N 318.245 1.789 50 40 DDGB N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1cccc(Cl)c1 189615 LIOTXOOJRWGJPH-JTQLQIEISA-N 321.789 1.897 50 40 DDGB CC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)n1 22996547 NOHLXSFJGSASKZ-UHFFFAOYSA-N 315.173 1.900 50 40 DDGB N#CC(C#N)=C(C#N)c1sc(N2CCOCC2)nc1Cl 59155109 PSWXNWXGJVQZJG-UHFFFAOYSA-N 305.750 1.957 50 40 DDGB O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccc(Cl)cc1 5569501 YNQDEYUCFSAYIZ-NWDGAFQWSA-N 324.764 1.992 50 40 DDGB CS(=O)(=O)c1ccc(C(=O)N/N=C2/CCn3cccc32)cc1 83989579 UFFSXRWMJYGNDF-SSZFMOIBSA-N 317.370 1.429 50 40 DDGB COc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1C(=O)NN 45957671 SSQRTCKCFCXUKG-VIFPVBQESA-N 308.338 1.586 50 40 DDGB C=CCn1c(SCC(=O)NN)nc2sc(C)c(C)c2c1=O 5537704 GXQLVAJLUWSRCW-UHFFFAOYSA-N 324.431 1.343 50 40 DDGB CC(=O)Oc1ccc([N+](=O)[O-])cc1C(OC(C)=O)OC(C)=O 1676862 HQLMRSTTXRZOOV-UHFFFAOYSA-N 311.246 1.645 50 40 DDGB C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1csc(N)n1 54292472 KNZJSXDHBHCHCD-GIJQJNRQSA-N 317.374 1.513 50 40 DDGB O=C1NC(=O)[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]12 100182577 UBQKDQAIOTYQCR-KAZBKCHUSA-N 310.973 1.196 50 40 DDGB O=C1[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](I)[C@@]3(F)[C@@H]12 195528793 RUJMCBCIMWTKLD-WPNGKZSNSA-N 304.102 1.839 50 40 DDGB CCOC(=O)N1CCC[C@H](C(=O)NNc2nc(C)cc(C)n2)C1 12553816 PNRVNSJJDQUPSR-LBPRGKRZSA-N 321.381 1.405 50 40 DDGB O=C(Cl)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 73658814 PYIJEOPNEUVOJC-QMMMGPOBSA-N 302.783 1.501 50 40 DDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@H]2C1 13116309 PZGOPBIQVXKEIF-JKSUJKDBSA-N 316.368 1.437 50 40 DDGB C[C@H](Cl)C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251086 FTTIBGVBKGDCKR-VIFPVBQESA-N 317.736 1.280 50 40 DDGB CC1(CC(=O)N/N=C/c2ccc3c(c2)OCO3)OCCCO1 59366738 AVLQIDPDCXUBCM-CXUHLZMHSA-N 306.318 1.409 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)cc1 8086832 PGUPXFJWTSAIGS-UHFFFAOYSA-N 303.362 1.159 50 40 DDGB C[C@@H]1CC(C)(C)[C@H](CNC(=O)CCl)[C@@H]1NC(=O)CCl 4844033 AXNCLGOFPPLGAX-KBVBSXBZSA-N 309.237 1.747 50 40 DDGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccco2)c1C 9365554 VGAJSGWSPSQCHM-UHFFFAOYSA-N 305.290 1.086 50 40 DDGB CC(=O)/C(=N/N[C@H]1C(Cl)=CC=C[C@H]1Cl)N1CCOCC1 96191873 PZQBRLXAILKVAB-AHKYEJPQSA-N 318.204 1.479 50 40 DDGB COc1ccccc1C(=O)NNC(=O)c1ccc(O)cc1O 260801 YTZPXGBPNULYTR-UHFFFAOYSA-N 302.286 1.181 50 40 DDGB O=C(COc1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-] 289276 BXTNEUGHUDXMSY-UHFFFAOYSA-N 315.285 1.435 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1 3081493 ZEWNYMTUPJMBOE-XDHOZWIPSA-N 311.341 1.462 50 40 DDGB biogenic C=CCOc1cccc(/C=N/NC(=O)C(=O)N2CCCC2)c1 3093600 JHOUHEBYMHKGHH-SFQUDFHCSA-N 301.346 1.324 50 40 DDGB COc1ccccc1/C=N/NC(=O)c1nc2nc(C)cc(C)n2n1 131809 XIRYJJWZDYAUMI-RQZCQDPDSA-N 324.344 1.514 50 40 DDGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1c(F)cccc1Cl 72408140 HCQZDUBMRPEHBC-SECBINFHSA-N 318.695 1.781 50 40 DDGB Cc1ccc([Si]23O[C@@H](C)CN(C[C@@H](C)O2)C[C@@H](C)O3)cc1 195754832 RJYZTDRNUSJCCJ-KFWWJZLASA-N 307.466 1.685 50 40 DDGB O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C[C@H]2[C@@H](Br)[C@H]1Br 100149717 HHFFMUZIOYHTFC-NYLBLOMBSA-N 323.968 1.479 50 40 DDGB COCCNC(=O)/C(C#N)=C/Nc1cc(OC)cc(OC)c1 102581299 QAVLWEZPEFUQHT-ZHACJKMWSA-N 305.334 1.286 50 40 DDGB CC[C@H](NNC(=O)c1cc(C)oc1C)C(=O)Nc1cc(C)on1 14198900 UJJFVUIJDBTPAI-LBPRGKRZSA-N 320.349 1.845 50 40 DDGB C/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1 83813439 UTEDYBRTXSTOTK-XBUHWIKASA-N 301.412 1.429 50 40 DDGB O=C(COc1ccccc1)NCC(=O)NNc1ccc(F)cc1 78582691 FVWJQWIDRODGCL-UHFFFAOYSA-N 317.320 1.464 50 40 DDGB COc1cccc(/C=C/C(=O)OCC(=O)/C(C#N)=C(/C)N)c1 4821953 LCZVEAJXAWHXRH-SAVKCZEGSA-N 300.314 1.577 50 40 DDGB O=C(Nc1ccccc1Cl)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 106002578 KXEGXSPGGVXHSP-WCBMZHEXSA-N 323.201 1.866 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1C 21632820 RAGYOLYTDVKTEE-UHFFFAOYSA-N 307.375 1.265 50 40 DDGB CC1(C)[C@@H](C(=O)NNC(=O)c2ccccc2)CC[C@@]1(C)C(=O)O 3176096 HBQJBQSDPNRNFQ-PXAZEXFGSA-N 318.373 1.975 50 40 DDGB CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)CC 2064444 FCMJUOVYOXDEGS-UHFFFAOYSA-N 323.418 1.911 50 40 DDGB C[C@H]1CN(CCNC(=O)/C(C#N)=C\c2ccco2)C[C@@H](C)O1 69979823 WLMSYKBBTUHJJX-WHBRQESMSA-N 303.362 1.412 50 40 DDGB C/C(=N/NC(=O)CNC(=O)COc1ccccc1)c1ccco1 4823364 YWLMOLBDLDSCEI-PDGQHHTCSA-N 315.329 1.315 50 40 DDGB NNC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1 225330081 CXDRRYQEIMFGHJ-CQSZACIVSA-N 315.304 1.223 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(F)c2)cc1 3148488 OEQMCSMMXFFRDP-VCHYOVAHSA-N 315.304 1.923 50 40 DDGB CN(NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1 7243119 RCOBWRUBMQKKJO-UHFFFAOYSA-N 308.341 1.564 50 40 DDGB CC(=O)NNC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1 4066917 RSPPVPBBAMITTD-UHFFFAOYSA-N 321.724 1.096 50 40 DDGB CCOc1ccccc1OCC(=O)N/N=C/c1cccn1C 6357312 DARGVWIJICWPFA-GZTJUZNOSA-N 301.346 1.953 50 40 DDGB Cc1ccccc1OCC(=O)N/N=C/c1cc(O)ccc1O 345225 RDSVBYPVJRELDA-RQZCQDPDSA-N 300.314 1.935 50 40 DDGB Cc1cnc(C(=O)NNC(=O)c2ccc3ccccc3n2)cn1 21008091 MFELHJRTZNAOGE-UHFFFAOYSA-N 307.313 1.408 50 40 DDGB O=C(Cn1cnc2ccccc2c1=O)N/N=C/c1ccc(F)cc1 2758606 WTAFRVRSXJVFJM-AWQFTUOYSA-N 324.315 1.686 50 40 DDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccoc2C)c1C 9502585 ZJMAJWUKRWZRMX-UHFFFAOYSA-N 303.318 1.810 50 40 DDGB CCn1c(N)c(C(=O)CCl)c(=O)n(C2CCCCC2)c1=O 72415073 XLMUFUCWRBNSBP-UHFFFAOYSA-N 313.785 1.539 50 40 DDGB CC1(C)O[C@H]2[C@@H](O1)[C@@H](CBr)O[C@@H]1OC(C)(C)O[C@H]21 39934120 GZLYHOASHMCYPY-SOYHJAILSA-N 323.183 1.778 50 40 DDGB O=C(NCc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12 3096107 WGXNGBNILAWRSE-CIAFOILYSA-N 320.352 1.934 50 40 DDGB C/C(=N\NC(=O)c1cccnc1)c1ccccc1OCC(N)=O 20159384 ZPOHMVQJPRUVNX-YBFXNURJSA-N 312.329 1.100 50 40 DDGB O=C(Cc1cccs1)NNC(=O)[C@@H]1COc2ccccc2O1 2661781 SXQDDHUYPFVKRX-ZDUSSCGKSA-N 318.354 1.278 50 40 DDGB N#Cc1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1 3291889 WIQPWMSXGODYJV-UHFFFAOYSA-N 301.346 1.665 50 40 DDGB CN(NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 45140355 HYLLAIPSWQEVCR-AWEZNQCLSA-N 311.389 1.861 50 40 DDGB CNC(=O)/C(C#N)=C\c1cc(OC)c(N2CCCC2)cc1OC 409102915 FTKVBFGMQQWLQD-JYRVWZFOSA-N 315.373 1.957 50 40 DDGB O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2N2CCOCC2)C1 45958064 LNJQHZRPEZIJFD-LLVKDONJSA-N 308.765 1.642 50 40 DDGB NC(=O)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 46085060 WQRDHAJJPXUWNT-CYVLTUHYSA-N 324.340 1.485 50 40 DDGB CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CCl 99236 WDPUQPVIFCAYLD-UHFFFAOYSA-N 322.712 1.357 50 40 DDGB Cc1occc1C(=O)NNC(=O)NCc1ccc2c(c1)OCO2 32795462 AVNOELNCLCOVBY-UHFFFAOYSA-N 317.301 1.461 50 40 DDGB Cc1nc(CC(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cs1 102359276 LSURGFCYYASJTM-NHCYSSNCSA-N 324.475 1.678 50 40 DDGB COc1cccc(/C=N/NC(=O)CSc2ncccn2)c1O 495734 BSOQBJXQNFWYMZ-CAOOACKPSA-N 318.358 1.433 50 40 DDGB COCCNC(=O)CC(=O)NN=C1CCC(C(C)(C)C)CC1 59435608 BRVQQCOCSZUNKE-UHFFFAOYSA-N 311.426 1.848 50 40 DDGB CC(C)c1n[nH]c2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 5817474 BMUFFMJKDFKNLC-KRWDZBQOSA-N 321.340 1.858 50 40 DDGB COc1ccc(NC(=O)NNC(=O)C(C)(C)C)c([N+](=O)[O-])c1 32935939 CAUZLWAGTZRIOS-UHFFFAOYSA-N 310.310 1.802 50 40 DDGB O=C(CCn1cc([N+](=O)[O-])cn1)N/N=C/c1ccc(F)s1 252503005 UXCQRABOLIBCRC-AWNIVKPZSA-N 311.298 1.532 50 40 DDGB CC(C)(C)OC(=O)NNC(=O)[C@@H]1Cc2ccccc2OC1=O 5714227 LYDZBGHQFWXWID-JTQLQIEISA-N 306.318 1.320 50 40 DDGB in-vitro O=C(CC(=O)N/N=C/c1cccs1)NCc1ccccc1 3057607 MTQFKYGJDDJLFN-GZTJUZNOSA-N 301.371 1.905 50 40 DDGB CN(NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 32732289 AHRZLCTXGUYLSQ-UHFFFAOYSA-N 319.386 1.839 50 40 DDGB O=C(NNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2 3408008 SUKGEVJJSOZRHT-UHFFFAOYSA-N 320.251 1.768 50 40 DDGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1cccs1 8726111 WCCDVACDHZDDAO-UHFFFAOYSA-N 317.370 1.329 50 40 DDGB CCCNC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 5708027 GKULQFNPFQUERB-QGMBQPNBSA-N 301.268 1.682 50 40 DDGB CC(=O)NN/C=C1/C(=O)N(c2ccccc2)C(=O)c2ccccc21 32693825 LLKKKALRBGCGHW-LFIBNONCSA-N 321.336 1.855 50 40 DDGB O=C(NNC(=O)c1cccnc1)c1ccc(N2CCCC2=O)cc1 8315371 CEWJUBYBLGDZJR-UHFFFAOYSA-N 324.340 1.283 50 40 DDGB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NNC(=O)c2cnccn2)o1 27132174 GSMACZHTGCQLSD-BIZURNDZSA-N 312.329 1.667 50 40 DDGB COc1ccc(C)cc1S(=O)(=O)NNC(=O)c1ccco1 7420309 YYFHUBNDCDQUTK-UHFFFAOYSA-N 310.331 1.220 50 40 DDGB C(=N\CCC[Si]12OCCN(CCO1)CCO2)\c1ccccc1 231940230 KUCFAYAYBODOIU-ICFOKQHNSA-N 320.465 1.814 50 40 DDGB O=C(CI)Nc1cccc(C(=O)O)c1O 1565642 IUTKCLLVALOZHZ-UHFFFAOYSA-N 321.070 1.464 50 40 DDGB NNC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1N 57054037 OPWVJYVQPRKAOH-HNNXBMFYSA-N 304.781 1.591 50 40 DDGB CC1=C(C#N)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N1 14165596 QITHPVFXLNDYDX-NSHDSACASA-N 300.274 1.467 50 40 DDGB N#CC1=C(C#N)C(=O)C(NCCc2ccccc2)=C(Cl)C1=O 100349658 PFLJODALXLAGLE-UHFFFAOYSA-N 311.728 1.765 50 40 DDGB NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 32115813 YVKPVKANETVZSI-UHFFFAOYSA-N 323.349 1.011 50 40 DDGB COCC(=O)N/N=C1\C(=O)Nc2c1cccc2C(F)(F)F 223743288 CKNHJQWBCOUQMS-UHFFFAOYSA-N 301.224 1.124 50 40 DDGB O=C[C@H](Br)/C=N/c1cnc(Br)cn1 100653270 JWUMMQZMFXYLLP-PKJCJFRZSA-N 306.945 1.904 50 40 DDGB in-vitro COc1ccccc1NC(=S)NNC(=O)c1ccncc1 13685731 FXLPMAOCVQDSLG-UHFFFAOYSA-N 302.359 1.722 50 40 DDGB C[C@]1(CS(=O)(=O)O)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 100047624 MFEDKMBNKNOUPA-MBLNEYKQSA-N 311.197 1.643 50 40 DDGB N#CC1=C(N)Nn2c(nnc2[C@H]2COc3ccccc3O2)S1 20727529 JQHHMLNEGLBXGL-SECBINFHSA-N 314.330 1.091 50 40 DDGB O=C(CCCCl)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 6548270 NZODIJNTLMKOMI-UHFFFAOYSA-N 312.782 1.688 50 40 DDGB O=C(N/N=C\c1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1O 102775949 HYEGUZZXSOCIHN-CHHVJCJISA-N 317.257 1.476 50 40 DDGB N#CC1=C(O)NC(=O)[C@H]([n+]2ccccc2)[C@@H]1c1ccc(F)cc1 4550983 DPZRRQFHMFMHPZ-HUUCEWRRSA-O 310.308 1.861 50 40 DDGB N#CC1=C(SCc2ccccc2Cl)NC(=O)[C@@H](C(N)=O)C1 8973246 QQYJFXUUQQFTNZ-SNVBAGLBSA-N 321.789 1.930 50 40 DDGB CCCC(CCC)C(=O)NNC(=O)c1nc[nH]c2ncnc1-2 1558272807 LYZRZGQYHIOLKL-UHFFFAOYSA-N 304.354 1.282 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccnc3)ccc21 409078495 IMNYLEGTKWKONK-GIJQJNRQSA-N 309.329 1.036 50 40 DDGB O=C(CCl)N(c1ccccc1F)[C@H]1CCS(=O)(=O)C1 40177577 ZGYFXPCBTKFAQL-VIFPVBQESA-N 305.758 1.585 50 40 DDGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(O)c(O)c1 487174 LISYWOZRHKWGGD-QGMBQPNBSA-N 303.293 1.799 50 40 DDGB C/C(=N/NC(=O)[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])o1 13562581 YQIPDRCLYAWJQW-CCAPLTMGSA-N 317.301 1.936 50 40 DDGB COc1ccccc1/C=C/C=N/NC(=O)c1ccc(=O)n(C)c1 1959574 JDOOUYNXRGAEDB-FJIBGIISSA-N 311.341 1.823 50 40 DDGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2ccccc2)C1 2216935 INSMTSZJEXEZRB-VHSXEESVSA-N 304.824 1.377 50 40 DDGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)CC#N 100059542 PPZFQYWEWAPJAH-KEBDBYFISA-N 316.405 1.723 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)CCc1c[nH]c2ccccc12 104282144 WYSJXKXULNODPB-KAMYIIQDSA-N 311.341 1.969 50 40 DDGB CCN(CC)c1ccc(C(=O)NNC(=O)c2cc(C)no2)cc1 24045077 PRGFJYICBQVWDT-UHFFFAOYSA-N 316.361 1.904 50 40 DDGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1 4473503 BTSYQAFRWYWCHL-CQSZACIVSA-N 312.329 1.954 50 40 DDGB biogenic,in-vitro CCCCNC(=O)C(=O)N/N=C/c1ccc(OC)cc1OC 5951492 IYMBBRNKOQSOBG-LICLKQGHSA-N 307.350 1.070 50 40 DDGB Cc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2)c1O 305986 UGUYFLHATTXFOJ-GFCCVEGCSA-N 314.341 1.929 50 40 DDGB CC1=C(C#N)[C@](NC(=O)OC(C)(C)C)(C(F)(F)F)C(=O)N1 108452728 UVERQNAUKMELTG-LLVKDONJSA-N 305.256 1.740 50 40 DDGB C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 5045018 QONWGSLPQWSKLN-HNNXBMFYSA-N 306.325 1.948 50 40 DDGB O=C(COc1cccc(F)c1)NNC(=O)c1ccc(F)cc1F 6648197 UDYBTBAHQABFDZ-UHFFFAOYSA-N 324.258 1.944 50 40 DDGB C=CCc1cc(/C=N/NC(C)=O)cc(OC)c1OCC(=O)OC 409011230 MYKGZGQNLQAPEV-RQZCQDPDSA-N 320.345 1.446 50 40 DDGB CN(C)c1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2)cc1 31729822 JCHAQFYARVCIMM-NDENLUEZSA-N 324.384 1.633 50 40 DDGB NC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21 33957578 WDLNNBXQLNCBMA-KEBDBYFISA-N 320.352 1.891 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)CN2CCOCC2)c1 19797795 MRGBXHBENPXSRQ-SFQUDFHCSA-N 303.362 1.034 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnccn1 4893467 MRLKXHSOWPMBFD-UHFFFAOYSA-N 300.362 1.454 50 40 DDGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccccn1 8122774 HOKZNWWSNYVHHU-UHFFFAOYSA-N 309.123 1.247 50 40 DDGB CC(=O)O[C@H]1CN[P@](=O)(N(CCCl)CCCl)OC1 104203172 RSGNOCXDOXSDGD-NIVTXAMTSA-N 319.125 1.426 50 40 DDGB CSCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 58164986 ZPFAFXWUIFZLAX-UHFFFAOYSA-N 304.375 1.591 50 40 DDGB Nc1nc(NNC(=O)CCc2ccccc2)ncc1[N+](=O)[O-] 71287126 WSIKAMPGYNXBAL-UHFFFAOYSA-N 302.294 1.043 50 40 DDGB O=C(CCl)Nc1cc2[nH]c(=O)[nH]c2cc1Br 13598291 BQSDSPUTOOCJPE-UHFFFAOYSA-N 304.531 1.796 50 40 DDGB O=C(CCl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4206486 QYGLEXRUOCVCLE-VIFPVBQESA-N 307.824 1.503 50 40 DDGB CCc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575425324 XYYGQGUARGXDHV-IUCAKERBSA-N 322.839 1.836 50 40 DDGB Cc1ccc(C)c([C@@H]2C(C#N)=C(N)Oc3nc(O)[nH]c(=O)c32)c1 43567 GEENRDSTOAMONM-LLVKDONJSA-N 310.313 1.311 50 40 DDGB O=C(NNC(=S)NC(=O)c1cccnc1)c1ccc(F)cc1 2369578 JDCLNWJYLXPUTD-UHFFFAOYSA-N 318.333 1.170 50 40 DDGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)C(F)(F)F)cc1 134233 LATLWTVJXMUOJU-UHFFFAOYSA-N 317.267 1.749 50 40 DDGB Cc1ccccc1NCC(=O)N/N=C1\C(=O)Nc2ccccc21 5687833 PHWVFIUZUONJQZ-UHFFFAOYSA-N 308.341 1.880 50 40 DDGB CSc1nc(C)cc(C(=O)NNC(=O)c2ccoc2C)n1 48300960 SLCQJNGDHXGHQT-UHFFFAOYSA-N 306.347 1.483 50 40 DDGB Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 6207823 JQAXUWAICJLUCW-CHWSQXEVSA-N 304.346 1.647 50 40 DDGB C/C(=N\NC(=O)c1ccncc1)c1ccc(OCC(N)=O)cc1 5621237 XBLIXOXWCCMWLL-YBFXNURJSA-N 312.329 1.100 50 40 DDGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc[nH]1 408974945 GJPUMAPYRWREGQ-LEBHLANCSA-N 310.357 1.481 50 40 DDGB COC(=O)[C@@]1(NC(C)=O)C[C@H](c2ccccc2)C=C(C#N)O1 4267382 SMABZDRNZNTMND-CZUORRHYSA-N 300.314 1.603 50 40 DDGB biogenic CC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 50895428 TXYNNNXPGQDRLR-GOSISDBHSA-N 323.396 1.781 50 40 DDGB O=C(NCCCn1cc(Br)cn1)C(Cl)Cl 2776969 JOIQQQBUYQXUCK-UHFFFAOYSA-N 314.998 1.956 50 40 DDGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CCCO1 227310 RWGKRJFRAYTNEE-UWUHSAQLSA-N 300.314 1.617 50 40 DDGB Cc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)o1 20026603 VNJZHALTQPWXQN-HOCLYGCPSA-N 319.368 1.943 50 40 DDGB CC/C(C)=N/NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 4697571 DPOPFRLNTPAMJV-OQLLNIDSSA-N 317.798 1.520 50 40 DDGB CN1C(C[N+](=O)[O-])=C(C#N)C2(CCCC2)C(C#N)=C1C[N+](=O)[O-] 101416325 WDWSVUWSBSCLIV-UHFFFAOYSA-N 317.305 1.601 50 40 DDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCCCC1 3294312 MACKBZLVTSPJHE-AWEZNQCLSA-N 304.346 1.554 50 40 DDGB O=C(CCl)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 3324524 AFXOINVVLIRMFU-GFCCVEGCSA-N 301.795 1.441 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)Cc2ccc(F)cc2)cc1 8754191 BCOOBTWLQDZYEC-UHFFFAOYSA-N 322.361 1.686 50 40 DDGB CCCNC(=O)NNC(=O)c1ccc(NC(=O)NCCC)cc1 1764018 PXTNKPDLGSRHDY-UHFFFAOYSA-N 321.381 1.572 50 40 DDGB CC(C)(C)OC(=O)NNC(=O)CNC(=O)OCc1ccccc1 3165976 VYFGJFRMOBUSCX-UHFFFAOYSA-N 323.349 1.469 50 40 DDGB COC(=O)/C(C#N)=C/c1c(N2CCCC2)nc2ccccn2c1=O 552929 FWOFICOFOUNULV-ZRDIBKRKSA-N 324.340 1.375 50 40 DDGB Cc1cc(O)cc(O)c1/C=N\NC(=O)c1ccc2c(c1)OCO2 15938499 YVGSKOAUDMBWQO-IDUWFGFVSA-N 314.297 1.899 50 40 DDGB Nc1nonc1CC(=O)N/N=C/c1cccc(Br)c1 4180456 YEQYXDAVMSBURM-MKMNVTDBSA-N 324.138 1.107 50 40 DDGB COc1ccc(-c2ccc(/C=N/NC(N)=O)o2)c([N+](=O)[O-])c1 408897932 JKSGDCUNSUHYQG-VIZOYTHASA-N 304.262 1.866 50 40 DDGB N#CC1=C[C@H]2[C@H]3C=C[C@@H]3[C@@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 45070678 MCWUOCOGSGOHEN-ZQDZILKHSA-N 304.309 1.162 50 40 DDGB C/C(=N\NC(=O)CNC(=O)/C=C/c1ccco1)c1ccco1 5006020 QVFMFRGMASNKMY-PRGDFHQISA-N 301.302 1.542 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccc(N)cc2)cc(OC)c1O 3525462 YUHBHXHESOJHKM-GIJQJNRQSA-N 315.329 1.756 50 40 DDGB COCC(=O)OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993696 UQUNDTFAKZIFMP-UHFFFAOYSA-N 320.257 1.238 50 40 DDGB CCOC(=O)NC(=O)/C(C#N)=C\Nc1ccc(C(C)=O)cc1 100219543 VMXAFBPURJNVHU-XFXZXTDPSA-N 301.302 1.981 50 40 DDGB O=C(NNc1nc(=O)c2cccnc2s1)c1cccs1 1442294 NLWVPASFCAJHOP-UHFFFAOYSA-N 304.356 1.870 50 40 DDGB O=C(NNC1=NC[C@@H](CBr)S1)c1ccccc1 4851834 SGJLWGOLCZQSFZ-SECBINFHSA-N 314.208 1.787 50 40 DDGB CCOc1cc(/C=N/NC(N)=O)c(Br)cc1O 13746992 MBUCOPHKIPUMHX-WLRTZDKTSA-N 302.128 1.556 50 40 DDGB CCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1NC(C)=O 6998765 FGOUBVDXGUNIDQ-VCHYOVAHSA-N 304.350 1.876 50 40 DDGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1cccc(F)c1 33744140 WOAPPLLKVFMULN-SOFYXZRVSA-N 305.269 1.389 50 40 DDGB O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)c1ccco1 33028750 MGDVGJHZMIIVIF-LBPRGKRZSA-N 300.270 1.342 50 40 DDGB C[C@]1(CI)[C@H]2CC[C@@]1(C)C(=O)OC2=O 215887271 CLQHFGNWUFISQU-JUWDTYFHSA-N 308.115 1.927 50 40 DDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 320608 RDTODJFUKGHSHW-UHFFFAOYSA-N 300.355 1.716 50 40 DDGB CN(NC(=O)C(=O)NCc1ccco1)C(=O)Nc1ccccc1 1574192 VZSVWYVFAXKCON-UHFFFAOYSA-N 316.317 1.091 50 40 DDGB CCCc1[nH]ncc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 44980586 HXCVPZJJESZUAJ-UHFFFAOYSA-N 316.317 1.166 50 40 DDGB Cc1nc(N)sc1C(=O)N/N=C\c1ccccc1C(=O)O 4482830 WMFZTORRNDHVAN-UUASQNMZSA-N 304.331 1.496 50 40 DDGB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Cl)cc1 8990289 MESQTULSFGCGEM-VHSXEESVSA-N 308.186 1.474 50 40 DDGB C/C(=N\NC(=O)Cc1cccn1C)c1ccc(C(=O)O)s1 373136 RMQVJKGJLPXMIK-OQLLNIDSSA-N 305.359 1.868 50 40 DDGB Cn1cccc1/C=N\NC(=O)c1cncc(Br)c1 31885697 UTVWRPWAOQDLDL-NVNXTCNLSA-N 307.151 1.947 50 40 DDGB Cc1c(C(=O)NNC(=O)c2ccc[n+]([O-])c2)oc2ccccc12 22024189 NDYQWEDSIPGNJN-UHFFFAOYSA-N 311.297 1.449 50 40 DDGB C[C@H](NC(=O)C(=O)N/N=C/c1cccc(O)c1)c1ccccc1 7813161 KHOBUEQLMZVMPM-HWQJWEFDSA-N 311.341 1.720 50 40 DDGB COCCNC(=S)NNC(=O)c1cc(C)nc2ccccc12 7784736 KGKWNLIHBIIZEB-UHFFFAOYSA-N 318.402 1.299 50 40 DDGB O=C(CSc1ncccn1)N/N=C/c1ccc(C(=O)O)cc1 204856 QIQUXRILWYSTJA-CAOOACKPSA-N 316.342 1.417 50 40 DDGB N#CNc1ccc(S(=O)(=O)N2CCOCC2)cc1N=C=S 5688226 HOWQHPUNVJMYDC-UHFFFAOYSA-N 324.387 1.335 50 40 DDGB Cc1cccc(C(=O)NNC(=O)[C@@H](C)N(C)Cc2ccco2)c1 12784037 FXPGGJXAYAKIMM-CYBMUJFWSA-N 315.373 1.870 50 40 DDGB CCOC(=O)NNC(=O)c1ccc(-n2ccnc2SC)cc1 48317139 NOTBXMDRPUZHDX-UHFFFAOYSA-N 320.374 1.985 50 40 DDGB O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)c1ccco1 9531980 WWKNZSGVRQIWHK-UHFFFAOYSA-N 302.258 1.181 50 40 DDGB C=CCn1c(=O)c(C(=O)NCCCl)c(O)c2ccccc21 100485705 RYYFLQBXOJIXOC-UHFFFAOYSA-N 306.749 1.862 50 40 DDGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccco2)cc1)C(=O)O 12364082 AWUUYJVFFANXLJ-JSJZUPIVSA-N 302.286 1.895 50 40 DDGB C[C@@H](NC(=S)NNC(=O)c1ccn(C)n1)c1ccccc1 2795707 JABYMWUANHLADU-SNVBAGLBSA-N 303.391 1.290 50 40 DDGB O=C(CSc1ncnc2nc[nH]c12)N/N=C/c1ccco1 6565613 QOICOUJSZCWBHH-HAVNEIBRSA-N 302.319 1.188 50 40 DDGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1O 7813069 PTRLMCYPCFIORH-RQZCQDPDSA-N 307.350 1.013 50 40 DDGB CCc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 59483191 XNQYGLBTCDWOMQ-XDHOZWIPSA-N 319.405 1.630 50 40 DDGB CCCc1n[nH]c2c1[C@]1(CCN(C)C[C@@H]1C)C(C#N)=C(N)O2 4010291 FZCHSDCLWQAGAW-QFYYESIMSA-N 301.394 1.658 50 40 DDGB N#C/C(=C\Nc1ccc(Br)cc1)C(=O)NCCO 16764347 FNMWXDXZIZQTQX-CMDGGOBGSA-N 310.151 1.377 50 40 DDGB O=C1Nc2cc3c(cc2/C1=N/NC(=O)C1CC1)OCCCO3 17413972 YZORKLNWFBIWLJ-UHFFFAOYSA-N 301.302 1.030 50 40 DDGB CCn1nc(C)c(/C=N/NC(=O)Cn2nc(C)cc2C)c1C 532429 ADSWDTVZBYNMJU-LZYBPNLTSA-N 302.382 1.483 50 40 DDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc(O)cc1 320595 JFUKZWLLDMKQAL-UHFFFAOYSA-N 310.306 1.155 50 40 DDGB O=C(CCN1CCCCC1)N/N=C/c1ccc([N+](=O)[O-])cc1 4176815 ACXWYQJREGKJIH-FOWTUZBSSA-N 304.350 1.921 50 40 DDGB COCCNC(=S)NNC(=O)Cc1cccc2ccccc12 11091535 XGUUCCNMAFAQGW-UHFFFAOYSA-N 317.414 1.524 50 40 DDGB COc1ccccc1NCC(=O)N/N=C/c1ccc(O)cc1O 33122 FXSSCZAFBCIIBS-GIJQJNRQSA-N 315.329 1.669 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccco2)n1C 104454605 INMVRLRZKMWWKM-HJWRWDBZSA-N 303.347 1.493 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCO2 3238213 HXCWQLQHHNBGLV-MKMNVTDBSA-N 303.230 1.680 50 40 DDGB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2ccoc2C)C1 4651805 MTQZTMNKTCNVAK-QWHCGFSZSA-N 320.345 1.796 50 40 DDGB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2ccccc2)C1 4651735 OVJLHKCBJAJSNA-UONOGXRCSA-N 316.357 1.895 50 40 DDGB CCC/C(=N\NC(=O)CN1CCOCC1)c1ccc(F)cc1 33678762 SMMHBHIHGAWOSG-OBGWFSINSA-N 307.369 1.778 50 40 DDGB O=C(CC(=O)NN=C1CCCCCC1)NCc1cccnc1 47439 CGKVJOMYBHIHGU-UHFFFAOYSA-N 302.378 1.914 50 40 DDGB CC1=C(C#N)[C@@](NC(=O)OC(C)(C)C)(C(F)(F)F)C(=O)N1 108452731 UVERQNAUKMELTG-NSHDSACASA-N 305.256 1.740 50 40 DDGB O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(Cl)cc1 8990292 MESQTULSFGCGEM-ZJUUUORDSA-N 308.186 1.474 50 40 DDGB Cc1cccc(OCCNC(=O)NNC(=O)c2ccoc2C)c1 40498179 VXVWXBKARKLGFH-UHFFFAOYSA-N 317.345 1.919 50 40 DDGB C[C@@H](C(=O)N/N=C/c1ccc(F)s1)n1cc([N+](=O)[O-])cn1 252497658 QMEBFMUZDSYDHV-PBUYIFKYSA-N 311.298 1.703 50 40 DDGB COC(=O)[C@@H]1C(=O)NC(SC)=C(C#N)[C@@H]1c1ccccc1F 79238 FHUHCQZJHOMTBM-RYUDHWBXSA-N 320.345 1.926 50 40 DDGB O=C1NC(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@@H]12 102179550 UBQKDQAIOTYQCR-ZXXMMSQZSA-N 310.973 1.196 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 2678345 DAJBIKWJIUJIQI-UKTHLTGXSA-N 304.346 1.763 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 59386580 IFMKNKRXZQZRLN-MHWRWJLKSA-N 318.333 1.494 50 40 DDGB CC1(C)[C@]2(CBr)OC(=O)[C@@]1(C(=O)O)CCC2=O 217628143 WBPZYZHOYHZSOH-WDEREUQCSA-N 305.124 1.137 50 40 DDGB COc1ccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 195815 NMYJPOQXNMSCEM-RQZCQDPDSA-N 324.344 1.514 50 40 DDGB NNC(=O)[C@@H]1CCCn2c1nc1sc3c(c1c2=O)CCCC3 497487 UOFPVTXERSGSPS-SECBINFHSA-N 318.402 1.204 50 40 DDGB COc1ccc(O)c(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 59502236 DTFJCLBRMPDSSH-ZXMBATIKSA-N 300.314 1.585 50 40 DDGB COc1cccc(-c2ncc(C(=O)NN)c(N3CCCC3)n2)c1 223459859 DPPXWFKBOWEHSI-UHFFFAOYSA-N 313.361 1.356 50 40 DDGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN2CCCCC2)cc1 5205598 LQYUOBBODZKPGU-CPNJWEJPSA-N 316.405 1.971 50 40 DDGB O=C1NCCC[C@@H]1C(=O)N/N=C/c1cccc(Br)c1 236633 ZLEGOFLLWLFJBV-AXLKIAQESA-N 324.178 1.425 50 40 DDGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OC 7894994 GWBGELVUFCQRGU-MKMNVTDBSA-N 316.155 1.859 50 40 DDGB O=C1NCCC[C@H]1C(=O)N/N=C/c1ccc(Cl)cc1Cl 59461532 LVOQPSQIUBTYJF-LZUJDIRXSA-N 314.172 1.970 50 40 DDGB C[C@]1(CS(=O)(=O)O)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br 5211593 MFEDKMBNKNOUPA-KKHAAJSZSA-N 311.197 1.643 50 40 DDGB in-vitro O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1ccco1 7652379 UPGDZNRKHBZQAO-GQCTYLIASA-N 300.270 1.483 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)CC2(C)OCCO2)c1 408840301 DHASBTLLJFDEHA-SFQUDFHCSA-N 304.346 1.855 50 40 DDGB Cc1nc(-c2cccc(Br)c2)ncc1C(=O)NN 78404328 VOKSXUXBHDEOSV-UHFFFAOYSA-N 307.151 1.818 50 40 DDGB Cc1ccccc1SCC(=O)NNC(=O)c1ccncc1 15273470 NSQUKNOHCMGFMX-UHFFFAOYSA-N 301.371 1.943 50 40 DDGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccn1 223563 WQIBLYCTTXPIQG-CXUHLZMHSA-N 300.274 1.519 50 40 DDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1O 243784 MQOPAZCGNSWGJQ-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB C/C(=N\NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccncc1 5177274 OGFCIFLPOQDQEN-CIAFOILYSA-N 321.340 1.627 50 40 DDGB O=C(NNC(=O)c1ccccc1O)c1cc(Br)c[nH]1 14245547 IWUWUTINHCWUCM-UHFFFAOYSA-N 324.134 1.558 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@H]2CCCO2)nn1-c1ccccc1 72009437 OCOCKRONRDOADY-CQSZACIVSA-N 314.345 1.121 50 40 DDGB Cc1ccnn1CC(=O)N/N=C/c1cn[nH]c1-c1ccccc1 9110192 YRSRPVSZHJBCTB-RQZCQDPDSA-N 308.345 1.732 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)c1 409006504 OHAGJPYEOXKGQJ-LDADJPATSA-N 317.389 1.984 50 40 DDGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(N)c1 8108052 ONZPPAONTKLMKG-ZVCOJXFSSA-N 311.341 1.949 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1c(O)ccc2ccccc12 19286934 DDUHHVSVZVKCPO-WOJGMQOQSA-N 313.357 1.328 50 40 DDGB C[C@H](C(=O)N/N=C/c1ccccc1O)n1nnc2ccccc21 124366 DHZKUECZNIRVLB-JDAJCMJVSA-N 309.329 1.848 50 40 DDGB Cc1nc2sc3c(c2c(=O)n1NC(=O)CCl)CCCC3 191204 MKSMMQPPNVFAHQ-UHFFFAOYSA-N 311.794 1.954 50 40 DDGB COCCCNC(=O)CC(=O)N/N=C/c1ccccc1Cl 59459633 GFGLGPRTEGYNGT-LICLKQGHSA-N 311.769 1.333 50 40 DDGB COC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409148804 RYJIBUWNAAOOIR-QMMMGPOBSA-N 308.384 1.993 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1 3009208 AIZMSIYNFYKXIX-RQZCQDPDSA-N 301.302 1.055 50 40 DDGB CC(Nc1ccccc1C(=O)NN)=C1C(=O)CC(C)(C)CC1=O 6363163 AFUHJYQEGQAKSP-UHFFFAOYSA-N 315.373 1.934 50 40 DDGB C[C@@]1(NNC(=O)NCCC2=CCCCC2)CCS(=O)(=O)C1 42837431 YBBGCLFZYSGTCZ-CQSZACIVSA-N 315.439 1.258 50 40 DDGB C=CCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 3330083 MQICVLOGHLMRCO-KPKJPENVSA-N 302.330 1.922 50 40 DDGB O=C(CSc1ccccc1F)NNC(=O)c1cccnc1O 12891274 GCYOMTXRMBNTOP-UHFFFAOYSA-N 321.333 1.480 50 40 DDGB CC(=O)c1cccc(NC(=S)NNC(=O)c2ccccn2)c1 6512018 WYXVCNPSWVYPAD-UHFFFAOYSA-N 314.370 1.916 50 40 DDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 5123845 VQMPYACAZWCWHK-AWEZNQCLSA-N 312.329 1.954 50 40 DDGB Cc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)o1 20026601 VNJZHALTQPWXQN-ZBFHGGJFSA-N 319.368 1.943 50 40 DDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(F)cc1 36767 IKNQUTUPPLYGLS-VCHYOVAHSA-N 324.319 1.630 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)NC2CCCC2)c1OC 59515573 GZDPWSKYIOHYLG-LICLKQGHSA-N 319.361 1.213 50 40 DDGB COCCCNC(=O)C(=O)N/N=C\c1c(F)cccc1Cl 59444764 ATUDDDSDIHIQIA-IUXPMGMMSA-N 315.732 1.082 50 40 DDGB Cc1cc(C)n(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 188794 AVUVYEMJTXHSBC-OVCLIPMQSA-N 301.306 1.558 50 40 DDGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(O)c(Cl)c1 409267284 UKARFDMPTWWIOR-REZTVBANSA-N 321.720 1.405 50 40 DDGB O=C(CCl)N(Cc1ccccc1)C[C@@H]1CCS(=O)(=O)C1 40177672 UEQVGBIUJKMSSB-ZDUSSCGKSA-N 315.822 1.689 50 40 DDGB C[C@@H](CO)N(C)NC(=O)c1csc(-c2ccc(F)cc2)n1 585140452 FDPNFMCFOXFUMM-VIFPVBQESA-N 309.366 1.907 50 40 DDGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1csc(N)n1 40479910 OUDXQAFJGLNAIX-FRKPEAEDSA-N 304.331 1.608 50 40 DDGB O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccc(Cl)cc1 2775727 YNQDEYUCFSAYIZ-RYUDHWBXSA-N 324.764 1.992 50 40 DDGB CN(C)NC(=O)[C@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 102859197 FXOKJOYRPHVSRJ-HJIKLVIJSA-N 317.227 1.738 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNc1ccc(C)c(C)c1 2079905 VKSFSMQGZSQJCW-DHDCSXOGSA-N 310.357 1.943 50 40 DDGB COc1cc(/C=N\NC(=O)c2cccnc2)cc([N+](=O)[O-])c1O 38161403 SNJOTYIFXMXYFA-APSNUPSMSA-N 316.273 1.468 50 40 DDGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1 214518867 RVVLNAHCLNKVGM-UHFFFAOYSA-N 305.359 1.399 50 40 DDGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1O 3570179 QATBOHHTQKBACE-FPYGCLRLSA-N 311.135 1.946 50 40 DDGB COc1cc(CNC(=O)NCCCl)cc(OC)c1OC 1697875 SZEBBYDJJHFJOQ-UHFFFAOYSA-N 302.758 1.750 50 40 DDGB COCCNC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 7782332 JXQONRZWDIPBOR-FRKPEAEDSA-N 318.160 1.206 50 40 DDGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Br)s1 24306928 PBGRPUXTJKZSLW-RITPCOANSA-N 303.181 1.928 50 40 DDGB O=C(CCl)NCC(=O)Nc1ccc(Br)cc1 12505194 PEDVNROUBQXDGI-UHFFFAOYSA-N 305.559 1.743 50 40 DDGB CCn1c(C)cc2c(c1=O)[C@H](c1ccncc1)C(C#N)=C(N)O2 2364649 SYQZMUQJMNWNJJ-CQSZACIVSA-N 308.341 1.790 50 40 DDGB NC(=O)N/N=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 4550621 AUBNFHLWMCYNOW-OMCISZLKSA-N 317.257 1.345 50 40 DDGB O=C(CCc1ccccc1)O[C@H]1CS(=O)(=O)C[C@@H]1Cl 5900079 XCCQIGXXZKUQPW-RYUDHWBXSA-N 302.779 1.567 50 40 DDGB CCOC(=O)/C(C#N)=C/N[C@H]1CCCN(c2ncccn2)C1 102140284 KVKJWWATOXAYHH-XSNHNAGMSA-N 301.350 1.006 50 40 DDGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)O)cc1 2110888 SINCDYHERYSVQK-UHFFFAOYSA-N 322.361 1.375 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)c(O)c1 409390388 CUMHXBMBNRANTE-LZYBPNLTSA-N 302.286 1.576 50 40 DDGB Cc1cccc(C(=O)NNC(=O)COc2ccccc2)c1O 5943067 LWSWQJNLWNLZJY-UHFFFAOYSA-N 300.314 1.541 50 40 DDGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 35406265 OSBVWJZQXCNURG-FSEGOYHTSA-N 315.285 1.484 50 40 DDGB CN(CCO)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 6368505 WUQSYPLMEDXCOO-LDADJPATSA-N 313.357 1.585 50 40 DDGB NNC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 97994895 RIEAALOPPYOPFD-YFKPBYRVSA-N 306.084 1.171 50 40 DDGB COCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 3666580 VXHIVPIOPOUZON-SSDOTTSWSA-N 321.160 1.555 50 40 DDGB C[N+](C)(C)CC(=O)N/N=C/c1cc(Br)ccc1O 1847144 DDSYFBTVFUHYGU-UHFFFAOYSA-O 315.191 1.311 50 40 DDGB C#CCN1C(=O)/C(=N\NC(=O)c2cccc(F)c2)c2ccccc21 18192959 KORGKWTZIFNCFC-SILNSSARSA-N 321.311 1.940 50 40 DDGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)CN1CCOCC1 408600544 CVZRYUSVMNNRJI-CRRKTRLDSA-N 319.405 1.646 50 40 DDGB C[C@]1(NC(=S)OC(CCl)CCl)CCS(=O)(=O)C1 59568374 PIMYJERCUHCMEA-VIFPVBQESA-N 320.263 1.301 50 40 DDGB CCOc1ncccc1C(=O)NNC(=O)c1cc(C)oc1C 3411239 VQMXEKRRWVAELK-UHFFFAOYSA-N 303.318 1.765 50 40 DDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 7785465 KVJIXEJPQSAXIZ-JSJZUPIVSA-N 307.350 1.069 50 40 DDGB CC(C)CCN1C(=O)C[C@@H](NNC(=O)c2ccc(F)cc2)C1=O 102051768 MQIOIOUAKXDEDV-CYBMUJFWSA-N 321.352 1.234 50 40 DDGB Cc1ccc(NC(=S)NNC(=O)c2cn(C)nc2C)cc1 8578695 UMWSNLSHTPSJBX-UHFFFAOYSA-N 303.391 1.668 50 40 DDGB O=C(C[C@@H]1CCS(=O)(=O)C1)N/N=C/C=C/c1ccccc1 7750390 FHXJTPQMRGIOFR-LEEFYPTESA-N 306.387 1.627 50 40 DDGB CC(=O)/C(=N/N[C@H]1C(Cl)=CC=C[C@@H]1Cl)N1CCOCC1 96191875 PZQBRLXAILKVAB-MGTNQUGKSA-N 318.204 1.479 50 40 DDGB O=C(NNc1ncnc2[nH]cnc12)c1ccc(Cl)cc1O 16758326 MUCCYXQENLFRBI-UHFFFAOYSA-N 304.697 1.469 50 40 DDGB N#C/C(=C/c1ccc(Br)s1)C(=O)NC(N)=O 409221527 ROJGROFCOJLZCD-HYXAFXHYSA-N 300.137 1.612 50 40 DDGB COc1cc(C(=O)NNC(=O)C2CCCC2)cc(OC)c1OC 3292901 RZUBQYSUSSBYCC-UHFFFAOYSA-N 322.361 1.664 50 40 DDGB CCCC(=O)NNC(=O)c1nn(CCC)c(=O)c2ccccc12 14197075 HBOKRLRCZQXVMQ-UHFFFAOYSA-N 316.361 1.368 50 40 DDGB O=C(NCc1ccccn1)NNc1nc(-c2ccccc2)no1 69743365 IZBYTXDYTUXBSS-UHFFFAOYSA-N 310.317 1.958 50 40 DDGB CCOC(=O)Cn1c(C)c(/C=N/NC(N)=O)c2ccccc21 6206247 XSJAEILENPIABK-CAOOACKPSA-N 302.334 1.515 50 40 DDGB NC(=O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 6816714 NRTPBRBDMJHBQS-AWQFTUOYSA-N 321.340 1.286 50 40 DDGB Cc1cc(C(=O)NNC(=O)CCOCC(F)(F)F)c(C)o1 32796753 TWHIBOYAZHBQHF-UHFFFAOYSA-N 308.256 1.626 50 40 DDGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCCC2)cc1 3301065 WXLXKNSFLPXFHY-GXDHUFHOSA-N 314.341 1.768 50 40 DDGB CC(=O)c1c(NNC(=O)c2ccccc2N)oc(C)cc1=O 27525937 OKOZMAOVBAAMHL-UHFFFAOYSA-N 301.302 1.490 50 40 DDGB COC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1 573603 VRDGNDKHHFTBQP-GIJQJNRQSA-N 313.313 1.397 50 40 DDGB CCOC(=O)[C@@H](Br)c1nc2ccccc2[nH]c1=O 17379510 HQNRIYDQTYXGKI-VIFPVBQESA-N 311.135 1.922 50 40 DDGB COC(=O)/C(C#N)=C/c1cc(CSc2nnnn2C)cs1 8306821 BWDJMAZNZXOLJP-RUDMXATFSA-N 321.387 1.644 50 40 DDGB Cc1c(CCC(=O)NN)c(C)n2c(nc3ccccc32)c1C#N 45606 SELXDSFBNXLPAI-UHFFFAOYSA-N 307.357 1.899 50 40 DDGB O=C(CSS(=O)(=O)O)NCCc1c[nH]c2ccccc12 2023857 FHFNZIWTVQLHTO-UHFFFAOYSA-N 314.388 1.363 50 40 DDGB biogenic COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1OC 3098063 LJDDGGRVBJXRGN-UHFFFAOYSA-N 316.313 1.484 50 40 DDGB O=C(NN[C@H](C(=O)N1CCCC1)c1ccccc1)c1cccnc1 15464175 BBALMWPIVZAMPR-INIZCTEOSA-N 324.384 1.680 50 40 DDGB Cc1nn(CC(=O)N/N=C/c2ccc(F)s2)cc1[N+](=O)[O-] 252510424 ZKBXNFTXQRXVOW-YIXHJXPBSA-N 311.298 1.451 50 40 DDGB COc1ccc(CNC(=O)C(=O)NN=C2CCCCC2)cc1 59515686 FUFWFOBKCFKVMG-UHFFFAOYSA-N 303.362 1.748 50 40 DDGB CN1CCN(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)CC1 34871191 MQCUCKWRFADPNV-RAXLEYEMSA-N 321.327 1.969 50 40 DDGB COc1ccc(C(=O)NNC(=O)CC(C)C)c(OC)c1OC 10160415 TXTCMRJEUYZIPT-UHFFFAOYSA-N 310.350 1.520 50 40 DDGB COC(=O)NNC(=O)COc1ccc(Br)c(C)c1 2134915 HHNBESWRQHJWLE-UHFFFAOYSA-N 317.139 1.524 50 40 DDGB CSc1ncc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cn1 13957164 YHVLFPLOHOXZLR-LZYBPNLTSA-N 317.330 1.871 50 40 DDGB COc1cccc(CC(=O)NNC(=O)c2ccccc2F)c1 2658023 DXIVCBBJTYTQQE-UHFFFAOYSA-N 302.305 1.838 50 40 DDGB CCCOc1ccc(C(=O)NNC(=O)c2cc(C)no2)cc1 9749119 QYAFARYDTAKJEQ-UHFFFAOYSA-N 303.318 1.847 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1 59366728 AEHADWDISZCCNG-XNTDXEJSSA-N 304.306 1.057 50 40 DDGB CC(=O)ON1C(C)(C)C=C(CSS(C)(=O)=O)C1(C)C 22047064 CZMOVGVIRQJPNP-UHFFFAOYSA-N 307.437 1.957 50 40 DDGB in-vitro COC(=O)c1n[nH]c2c1[C@@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 4901738 VLCBNPUYYDZJDY-WPRPVWTQSA-N 300.318 1.722 50 40 DDGB C#CCOc1ccc(/C=C(\C#N)C(N)=O)cc1Br 408868828 NJVILGQQKHCSGA-UXBLZVDNSA-N 305.131 1.853 50 40 DDGB CC(=O)[C@@]1(C)OC(N)=C(C#N)[C@@H](c2ccccc2)C1(C#N)C#N 50406 AZSBWFUUXLHAIJ-GDBMZVCRSA-N 306.325 1.876 50 40 DDGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1cccnc1 365391 WVAPMSPEOFEDJK-CXUHLZMHSA-N 300.274 1.519 50 40 DDGB O=S1(=O)CC=C(NC(=S)OC[C@H](Cl)CCl)C1 100850725 HQHHNFDEKJBRNX-ZCFIWIBFSA-N 304.220 1.036 50 40 DDGB O=C(CNC1CCCCC1)N/N=C/c1cccc([N+](=O)[O-])c1 409380217 KRFYMBBKWUTRIZ-LICLKQGHSA-N 304.350 1.967 50 40 DDGB O=C(NCCc1ccccc1)C(=O)N/N=C\c1cccc(F)c1 223163361 YSPVSDXSLFUIRM-NDENLUEZSA-N 313.332 1.635 50 40 DDGB O=C(N/N=C1\C(=O)N(C2CSC2)c2ccc(F)cc21)C1CC1 223754849 NRSPCJAXJJAWOX-LGMDPLHJSA-N 319.361 1.518 50 40 DDGB COC(=O)[C@H]1C[C@H](Br)CN1C(=O)OC(C)(C)C 118444706 TXQUSDPQTQXELO-JGVFFNPUSA-N 308.172 1.932 50 40 DDGB COc1ccc(/C=N/NC(=O)c2ccncc2)cc1[N+](=O)[O-] 249799 SPFSZOZBGDUFQH-CXUHLZMHSA-N 300.274 1.762 50 40 DDGB CCCCOc1ccccc1C(=O)NNC(=S)NC(C)=O 2064485 KYFPQAZEBKGSPU-UHFFFAOYSA-N 309.391 1.521 50 40 DDGB O=C(N/N=C\c1ccccc1O)c1cc([N+](=O)[O-])ccc1O 408918145 GUEWDWILZLGGFR-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB CCS(=O)(=O)[C@H](Br)C(=O)c1ccc(N)cc1 96517873 SJRZJLUGZSQAEC-JTQLQIEISA-N 306.181 1.607 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1cc(C(=O)O)ccc1C 16347087 BAUJFUKBCOMJTJ-GHXNOFRVSA-N 311.297 1.486 50 40 DDGB Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@@H]2c2ccccc2O)n1 17218969 NAEPIZSYQQJLHE-WCQYABFASA-N 320.736 1.302 50 40 DDGB O=C(Cc1ccccc1)NN[C@H]1CC(=O)N(c2ccccc2)C1=O 509910 WLXIQMIXDWGTIT-HNNXBMFYSA-N 323.352 1.182 50 40 DDGB COc1cccc(/C=N/NC(=O)c2ccc(/C=N/O)nc2)c1O 523744 YLDUUHDXFXLFSN-YPOGWSRFSA-N 314.301 1.368 50 40 DDGB COc1ccccc1NCC(=O)N/N=C\c1ccc(O)cc1O 4460584 FXSSCZAFBCIIBS-NVMNQCDNSA-N 315.329 1.669 50 40 DDGB Cc1cccc(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)c1 6523107 NJALDCXDLVHJME-UHFFFAOYSA-N 309.325 1.846 50 40 DDGB N#CC1=C(N)n2ncnc2N[C@H]1c1ccccc1Br 18199597 ZKJWQBACDMCCKV-JTQLQIEISA-N 317.150 1.858 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(C(F)(F)F)n[nH]1 252480666 CBZULQKFNANIOR-AYSLTRBKSA-N 318.234 1.373 50 40 DDGB Cc1ccc(O[C@H](C)C(=O)N/N=C2\N=C(N)c3ccccc32)cc1 16293546 IVCWBLKZFKLGRE-GFCCVEGCSA-N 322.368 1.959 50 40 DDGB COc1ccc(NC(=O)C(=O)NN=C2CCCC2)c(OC)c1 5513327 ILKVQYNGSPNAQG-UHFFFAOYSA-N 305.334 1.689 50 40 DDGB O=C(Cc1ccccc1)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O 100783461 WLXIQMIXDWGTIT-OAHLLOKOSA-N 323.352 1.182 50 40 DDGB C[C@@]1(NC(=O)OC[C@@H](Cl)CCl)CCS(=O)(=O)C1 59568575 ZAPHEALQIYEHME-IONNQARKSA-N 304.195 1.136 50 40 DDGB O=C(Cc1ccccc1)NN[C@H](C(=O)NC1CC1)c1ccccc1 8777909 PVNFGSMWECUFRY-SFHVURJKSA-N 323.396 1.870 50 40 DDGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)N2CCOCC2)c1 408767280 YWIADOMIUZWWPA-NTEUORMPSA-N 300.314 1.378 50 40 DDGB O=S(=O)(c1ccccc1)N1CCO[C@H]1CBr 34936168 OUUARBRVJWKCRV-JTQLQIEISA-N 306.181 1.429 50 40 DDGB O=C1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Br 90659426 MIXGDXSVEFDIEG-JTQLQIEISA-N 318.192 1.414 50 40 DDGB CCCCS(=O)(=O)Nc1ccc(C(=O)NNC(C)=O)cc1 4522191 LETXFXXCICQPHJ-UHFFFAOYSA-N 313.379 1.009 50 40 DDGB O=C(N/N=C/c1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885134 HJGMREMPCACZLD-CXUHLZMHSA-N 313.273 1.079 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)CCC(=O)c1ccc(C)cc1 104336478 QUTLFONQLRSNEL-OWBHPGMISA-N 314.341 1.827 50 40 DDGB CC(C)CCOC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NN 2274776 VKHAFAPXPMDLHZ-CVEARBPZSA-N 308.422 1.649 50 40 DDGB CC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 408768495 GMVMFZUFJRGUGM-UHFFFAOYSA-N 317.798 1.618 50 40 DDGB O=C(NNC(=O)c1ccccn1)c1ccc(-n2cccc2)cc1 15627538 UITSYGYAZBQIOL-UHFFFAOYSA-N 306.325 1.947 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(F)c2)c1 3148497 VGIJCOKMWBHUGW-VCHYOVAHSA-N 315.304 1.923 50 40 DDGB O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc2c(s1)CCCCC2 40144722 CQBVTGIEAIEOBS-NXEZZACHSA-N 323.374 1.443 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccccn2)cc(OC)c1OC 378387 BJVWXGQOPMWQBD-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB O=C(NNC(=S)NC[C@@H]1CCCO1)Nc1ccc(F)cc1 9189552 ANEFZRAWUVDSRY-NSHDSACASA-N 312.370 1.505 50 40 DDGB CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCNC2=O)cc1 1881556 RFXZBQMXWOANIE-IYSPOMMRSA-N 317.389 1.842 50 40 DDGB C/C(=N/NC(=O)CNC(=O)CCc1ccccc1)c1ccco1 5051563 FBDJEDNTWPXJQZ-UYRXBGFRSA-N 313.357 1.869 50 40 DDGB O=C(Cc1ccccc1Cl)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9420702 XMZBDCNBHGLVOV-WDEREUQCSA-N 322.213 1.403 50 40 DDGB C/C(=N\NC(=O)C[n+]1ccccc1)[C@H]1CCC[C@H]([N+](=O)[O-])C1 5370125 VKOJQAUMZYWQPG-BCCBAOHNSA-O 305.358 1.302 50 40 DDGB CCOC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1C 30578986 JFNFERJOVCHDOE-UHFFFAOYSA-N 306.297 1.711 50 40 DDGB COc1cc(/C=N/NC(=O)Cn2nccc2C)cc(Cl)c1O 2752607 LJTJSDPWEBJNGI-FRKPEAEDSA-N 322.752 1.709 50 40 DDGB COc1ccc(OCC(=O)N/N=C/c2ccc(O)c(O)c2)cc1 6789703 ZMXWEWMWWPRGSJ-RQZCQDPDSA-N 316.313 1.636 50 40 DDGB O=C(NNC(=S)NC(=O)C1CCCCC1)c1ccccc1 6884910 PNYHTKZXAVZBKU-UHFFFAOYSA-N 305.403 1.902 50 40 DDGB Cc1cc(C(=O)NNC(=O)COc2ccccc2C#N)c(C)o1 5823411 IGNKVNZORVHTSV-UHFFFAOYSA-N 313.313 1.608 50 40 DDGB Cc1cc(C(=O)NNS(=O)(=O)c2c(C)noc2C)c(C)o1 32798243 FDKFGUALUWNOMA-UHFFFAOYSA-N 313.335 1.125 50 40 DDGB COc1ccc(O)c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 59502237 DTFJCLBRMPDSSH-ADFUCPMPSA-N 300.314 1.585 50 40 DDGB N#CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408992642 ARIZQQPLRLVDOY-GZTJUZNOSA-N 315.333 1.949 50 40 DDGB COc1ccc(-c2ncc(/C=N/NC(N)=O)cn2)cc1OC 217037794 CUFMPAUIMBLFBH-QGMBQPNBSA-N 301.306 1.163 50 40 DDGB N#CC(C#N)=C(NCc1ccc(Cl)nc1)N1CCOCC1 97485 GCYHILKIXRPASQ-UHFFFAOYSA-N 303.753 1.416 50 40 DDGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(N)=S 545828 VKQZCTLUZKVKSU-RXMQYKEDSA-N 308.190 1.625 50 40 DDGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)OC3)c1 5916519 HXIWXOJUUJBDDK-CYBMUJFWSA-N 314.297 1.322 50 40 DDGB Nc1ncnc2c1ncn2CCN(CCCl)CCCl 1692275 ZAPKRJBFSNENMZ-UHFFFAOYSA-N 303.197 1.188 50 40 DDGB CN1C(=O)/C(=N\NC(=O)CC#N)c2cc(Br)ccc21 101644821 NTXJKTYABAHOFY-WJDWOHSUSA-N 321.134 1.159 50 40 DDGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1O 103249117 PFXJPYVDPYYLTI-NHCYSSNCSA-N 305.403 1.690 50 40 DDGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(N)=O)c2C)c1 408937611 KBLYRFRRFNQTNM-DJKKODMXSA-N 312.373 1.646 50 40 DDGB Cc1cccc(NCC(=O)N/N=C2/C(=O)Nc3ccccc32)c1 5687810 HTZMNGSHCDSOBY-UHFFFAOYSA-N 308.341 1.880 50 40 DDGB CC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccco2)cc1 586777 BOOHLSPDEKWKOA-CMDGGOBGSA-N 313.313 1.712 50 40 DDGB Cc1cc(C)nc(NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 22234178 PJDJOQDOTKNOMQ-UHFFFAOYSA-N 324.344 1.097 50 40 DDGB Cc1cc(Cl)ccc1NC(=O)C(=O)NN=C1CCN(C)CC1 59515763 YCIWFKRYUNHKLF-UHFFFAOYSA-N 322.796 1.785 50 40 DDGB CCOc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1O 144877 FWSYVTAOQIMBON-FRKPEAEDSA-N 320.374 1.902 50 40 DDGB CC[C@]1(c2ccccc2)C(=O)N(C)C(=O)N(CCCl)C1=O 1563128 JMVWNHINDBREEB-HNNXBMFYSA-N 308.765 1.994 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)c(C)c1 21632870 AHSSZIBMYXDEAQ-UHFFFAOYSA-N 307.375 1.265 50 40 DDGB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)OC(=O)[C@H]12 408722846 NXSRWXDTRUUPRL-BHEGOAEISA-N 304.301 1.946 50 40 DDGB O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1ccccc1O 36239628 ICFIGMOXWCFOMA-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB O=[P@](OCCCO)(N(CCCl)CCCl)N1CC1 1865730 LAERWFDIFOJTTO-KRWDZBQOSA-N 305.142 1.589 50 40 DDGB COc1cc(/C=N/NC(=O)C2CC2)cc(OC)c1OC(C)=O 6684302 POBIZUCYWQCUEW-LZYBPNLTSA-N 306.318 1.489 50 40 DDGB CC/C(=N/NC(=O)c1ccco1)c1ccc(OCC(N)=O)cc1 5464404 MUMZHGITCWICNN-AQTBWJFISA-N 315.329 1.688 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1n[nH]c2c1CCCC2 336105 FDEAIFZHGZAMTG-CXUHLZMHSA-N 313.317 1.961 50 40 DDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 492488 ZEBSDGZJJZOEMY-AWEZNQCLSA-N 300.314 1.950 50 40 DDGB CC(C)COc1ccccc1/C=N/NC(=O)CN1CCOCC1 408600820 GJFHOXJJXNZEQL-WOJGMQOQSA-N 319.405 1.504 50 40 DDGB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NNC(=O)CC#N 226863775 OIAKOJYENXJVSI-XYOKQWHBSA-N 317.736 1.481 50 40 DDGB O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)C(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2 226365500 OQLAOXNDCYBUFL-KVBYFPDNSA-N 302.378 1.571 50 40 DDGB NNC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 97994894 RIEAALOPPYOPFD-RXMQYKEDSA-N 306.084 1.171 50 40 DDGB COCC1=C(C(=O)OC)[C@H](c2cccs2)C(C#N)=C(N)O1 4474174 UHRVXMHJGLVNSP-NSHDSACASA-N 306.343 1.629 50 40 DDGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1cnccn1 55355707 PLXMWWLWCAHEQK-YBFXNURJSA-N 312.329 1.944 50 40 DDGB CC(=O)Nc1ccc(C(=O)NNC(=O)C2[C@H]3CCCC[C@@H]23)cc1 17779797 ZYGRGGOWNUBICJ-YIONKMFJSA-N 315.373 1.842 50 40 DDGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1ccncc1 4616877 JHGNOKYISINVCB-VIZOYTHASA-N 302.246 1.165 50 40 DDGB O=C(CNc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 36047197 SBRBFEMLSQHVQZ-RQZCQDPDSA-N 314.301 1.863 50 40 DDGB Cc1cccc2c1[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CCC2 12462975 OMVFLHLAKSLJIU-GOSISDBHSA-N 321.336 1.916 50 40 DDGB CCOCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12 32795161 AGTJYNXFVWCAON-UHFFFAOYSA-N 304.350 1.539 50 40 DDGB COc1ccc(/C=N/NC(=O)CC(=O)NC(C)C)c(OC)c1 59515305 MWYZAKATDMESHB-CXUHLZMHSA-N 307.350 1.069 50 40 DDGB N#CC(C#N)=CNNC(=O)c1ccc(F)cc1Br 48629597 XLONUJWMXIBIRD-UHFFFAOYSA-N 309.098 1.754 50 40 DDGB O=C(/C=C/CBr)N[C@@H](Cc1ccccc1)C(=O)O 17430016 PHIWAOXBFWSAIB-ZPMKCOPCSA-N 312.163 1.750 50 40 DDGB N#C/C(=C/N1C(=O)CC(=O)NC1=S)c1cccc(Cl)c1 1637329 OXQARKQROOUJAS-CLFYSBASSA-N 305.746 1.838 50 40 DDGB O=C(NCc1ccccn1)C(=O)NN=C1CCCCCCC1 4181646 WKTDOXAYLRNLJQ-UHFFFAOYSA-N 302.378 1.914 50 40 DDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc(O)c1 320593 BLRCWULMNZFWQI-UHFFFAOYSA-N 310.306 1.155 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)[C@]2(C)CC2(Cl)Cl)n1 22440082 BMEUSJGZOAGYKO-NSHDSACASA-N 319.192 1.231 50 40 DDGB CC(=O)N/N=C/c1cc(Br)ccc1OCC(=O)O 409020786 TXSYTFFCYLPVEN-WLRTZDKTSA-N 315.123 1.383 50 40 DDGB CCc1ccccc1N(CC(=O)NN=C(C)C)S(C)(=O)=O 408780516 CPFKJLIHFCQGGI-UHFFFAOYSA-N 311.407 1.527 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccccc1O 409001229 VQAKEUVWKQPPNU-GZTJUZNOSA-N 315.329 1.586 50 40 DDGB O=C(N/N=C/c1cccc(O)c1)C(=O)NC1CCCCCC1 15227566 LMNNFMNVHMLSDL-GZTJUZNOSA-N 303.362 1.681 50 40 DDGB O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccncc1 15273484 PXGBLNJQXTVWIW-AATRIKPKSA-N 312.285 1.464 50 40 DDGB CCCC/C(C)=N\NC(=O)C(=O)NCc1ccc(OC)cc1 5417514 BETRHIRQDDIDIL-PDGQHHTCSA-N 305.378 1.994 50 40 DDGB Cc1noc(C)c1CC(=O)NNC(=O)c1cc2c(s1)CCC2 17445714 FMPIPAJLXUUZNC-UHFFFAOYSA-N 319.386 1.845 50 40 DDGB COc1ccccc1CC(=O)NNC(=O)c1ccccc1OC 290047 WDKSUZJIHXBSSE-UHFFFAOYSA-N 314.341 1.708 50 40 DDGB N#CC1=C(N)Nn2c(Cc3ccc(Cl)cc3)nnc2S1 20724222 PHIZTYLMYDIRRE-UHFFFAOYSA-N 304.766 1.823 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2ccccc2)cc1OC 2621395 NLCSCABRFCKGJL-UHFFFAOYSA-N 314.341 1.708 50 40 DDGB C/C(=N\NC(=O)c1cc(-c2cccn2C)[nH]n1)c1ccncc1 9330047 ZDSHEBAVQCBURR-WOJGMQOQSA-N 308.345 1.964 50 40 DDGB CC(C)Oc1ccccc1/C=N/NC(=O)CN1CCOCC1 408604610 VSVBJPMFYBTILS-GZTJUZNOSA-N 305.378 1.256 50 40 DDGB Cc1ccccc1OCC(=O)N1CCN(C(=O)CCl)CC1 2456342 GHFPNCCQDFCGLX-UHFFFAOYSA-N 310.781 1.283 50 40 DDGB Cc1ccsc1/C=N/NC(=O)C(=O)NCCc1ccccc1 59435542 MNRHQVPCPQUZLM-WOJGMQOQSA-N 315.398 1.866 50 40 DDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 47295171 JYKRAAKXHWEEJM-UHUMYNAPSA-N 321.377 1.406 50 40 DDGB CCc1ccc(OCC(=O)NNC(=O)c2ccccc2O)cc1 12851411 FFNHSJPUQGMGEU-UHFFFAOYSA-N 314.341 1.795 50 40 DDGB CCOC(=O)NC(=O)/C(C#N)=C\Nc1ccsc1C(=O)OC 13394990 UNRWRTIUAKAKAR-FPLPWBNLSA-N 323.330 1.627 50 40 DDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1C1CCCCC1 4038118 GYEWFKMHGPGAMV-ZDUSSCGKSA-N 302.330 1.882 50 40 DDGB CCS(=O)(=O)[C@H](I)C(=O)C(C)(C)C 96517975 PCUNAJMZCBBYTL-ZETCQYMHSA-N 318.176 1.797 50 40 DDGB O=C1CN(CCCCl)CC(=O)N2Cc3ccccc3CN12 1579245 JUOUXEPGXSRRHQ-UHFFFAOYSA-N 307.781 1.217 50 40 DDGB COC(=O)COc1ccccc1/C=C(/C#N)C(=O)NC(C)C 408773414 QFAWCAXMZOPCGK-JYRVWZFOSA-N 302.330 1.670 50 40 DDGB Cc1ccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 131702 MXKKBHUOQXCDAA-RQZCQDPDSA-N 308.345 1.813 50 40 DDGB CCOc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1OCC 1847155 WKIFUNPVZHBRAD-GZTJUZNOSA-O 308.402 1.640 50 40 DDGB O=C1NC(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]12 100182580 UBQKDQAIOTYQCR-GUCUJZIJSA-N 310.973 1.196 50 40 DDGB CC(C)Oc1ccc(C(=O)NNC(=O)c2cccnc2O)cc1 12979520 KLYXXDKGXHJRFE-UHFFFAOYSA-N 315.329 1.649 50 40 DDGB O=C(NNC(=O)c1ccccc1O)c1ccnc(NC2CC2)c1 65488623 WAHZRJYPCZKLBH-UHFFFAOYSA-N 312.329 1.436 50 40 DDGB N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)C(=O)NC1CC1 409197159 XIPJIUKERMUNHR-YRNVUSSQSA-N 308.341 1.312 50 40 DDGB C[C@H]1C(C#N)=C(SCC(N)=O)NC2=C1C(=O)CC(C)(C)C2 3154065 ODZCGOVNSKFLLY-QMMMGPOBSA-N 305.403 1.823 50 40 DDGB N[C@@H](Cc1ccccc1N(CCCl)CCCl)C(=O)O 462 ZJHNCWIVJDCKSB-NSHDSACASA-N 305.205 1.925 50 40 DDGB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCBr 2570682 DAVGOTODDUSCCC-UHFFFAOYSA-N 313.107 1.976 50 40 DDGB Cc1occc1C(=O)N/N=C/c1ccccc1OCC(=O)O 381461 BBWPVHYJFOMVBC-LZYBPNLTSA-N 302.286 1.815 50 40 DDGB NCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O 1880907 VOYDTAYYIPWMPR-VCHYOVAHSA-N 301.346 1.762 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 4651729 SRUGCRNUVIHRLB-RCWTZXSCSA-N 322.386 1.564 50 40 DDGB CSCCOC(=O)COc1ccc(/C=N/NC(C)=O)cc1 20247996 FSHQHIWLUUZMEW-OQLLNIDSSA-N 310.375 1.442 50 40 DDGB CC(C)CCOC[C@H](O)C[C@H](Cc1ccccc1)C(=O)NN 2274777 VKHAFAPXPMDLHZ-JKSUJKDBSA-N 308.422 1.649 50 40 DDGB O=C(CN1CCOCC1)N/N=C\c1ccc(N2CCCCC2)o1 59246496 GPAQKGRWGXRMBS-ATVHPVEESA-N 320.393 1.052 50 40 DDGB O=C(Cc1ccccn1)NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1 104449631 UYAIGYXRDRNKCA-GJZGRUSLSA-N 313.332 1.714 50 40 DDGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1 408763058 DJRCBUMNUVEZIJ-GXDHUFHOSA-N 300.314 1.378 50 40 DDGB COc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1O 408720126 XVNYMNJHLNEASL-MHWRWJLKSA-N 308.334 1.394 50 40 DDGB C[C@@H]1C[C@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1 70038395 KMFDUZJDEXAKLV-BXUZGUMPSA-N 320.364 1.677 50 40 DDGB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1cccnc1 14287130 AKQNQTCOHSGXAI-QMTHXVAHSA-N 313.313 1.071 50 40 DDGB NC(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1 408883695 UKCCJIFAFRNDIG-MHWRWJLKSA-N 319.342 1.457 50 40 DDGB O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccccc1 1922004 CCXFSXLVJZMUKL-YBFXNURJSA-N 311.341 1.332 50 40 DDGB CC(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6652014 RNOKEOIEKVSCBO-UHFFFAOYSA-N 309.325 1.771 50 40 DDGB N#CCOc1ccccc1/C=N/NC(=O)CNC1CCCCC1 409378176 NCPZFNFDGIGNQV-UDWIEESQSA-N 314.389 1.961 50 40 DDGB CC1(C)[C@]2(C(=O)NCCN)CC[C@@]1(C)C(=O)[C@H]2Br 85385663 WVTMNZFGZQVCEF-OXHMUOHRSA-N 317.227 1.220 50 40 DDGB C[C@@H](CCl)OP1(=O)C[C@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C1 5515598 GWVWTNYIUVYKNF-CIUDSAMLSA-N 314.662 1.993 50 40 DDGB C#CCOc1cccc(/C=N/NC(=O)CC2(C)OCCO2)c1 6378246 DGFSFQXYXIZSEN-SFQUDFHCSA-N 302.330 1.302 50 40 DDGB Cc1c(C(=O)NNC(=O)c2cccnc2)cccc1[N+](=O)[O-] 7782579 ROGNIGYBZLQXLK-UHFFFAOYSA-N 300.274 1.373 50 40 DDGB CN(C)S(=O)(=O)c1ccc(OCCBr)cc1 4218808 IKIZPEDWXMNUTC-UHFFFAOYSA-N 308.197 1.711 50 40 DDGB O=C(Cl)[C@H]1CC(=O)N(c2ccccc2N2CCOCC2)C1 45958067 LNJQHZRPEZIJFD-NSHDSACASA-N 308.765 1.642 50 40 DDGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 5745416 FANOEEVRKCYSJT-UHFFFAOYSA-N 314.370 1.339 50 40 DDGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)CC(C)C 5375387 RLCOLUOSPVBODM-CQSZACIVSA-N 308.334 1.540 50 40 DDGB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1cccc2ccccc12 4939969 VKVIPTIGKSCIRT-ZIAGYGMSSA-N 323.801 1.974 50 40 DDGB COc1ccc(/C=C/C(=O)NNc2nc(C)cc(=O)[nH]2)cc1 11535521 IKDARAADXHRBMR-VMPITWQZSA-N 300.318 1.243 50 40 DDGB CCOC(=O)[C@@H]1CCCC[C@@]12C(C#N)=C(N)Oc1[nH]nc(C)c12 6530378 NSKNVWQOQRRIFW-QFYYESIMSA-N 316.361 1.796 50 40 DDGB CC1(C(=O)NC(=S)NNC(=O)c2ccncc2)CCCCC1 2678879 UQPSCWHDNPZKCL-UHFFFAOYSA-N 320.418 1.688 50 40 DDGB O=C(OCCCl)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)OCCCl 104162320 LBVBNTTWZJWVLB-KYXWUPHJSA-N 311.161 1.344 50 40 DDGB C[C@]1(NC(=S)OC[C@H](Cl)CCl)CCS(=O)(=O)C1 59568588 OOYUQBBRZGUSJY-APPZFPTMSA-N 320.263 1.301 50 40 DDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 408969428 NKEFWGVAGJHRTH-VCBXAZPMSA-N 307.350 1.069 50 40 DDGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)s1 6758775 WJBBWKPYQMPOQP-GFCCVEGCSA-N 316.338 1.720 50 40 DDGB O=C(CCC(=O)NC1CCCCC1)N/N=C/c1ccncc1 3666821 LWNWUDDTGVXDCV-LDADJPATSA-N 302.378 1.761 50 40 DDGB Cn1cc(C(=O)NN[C@H](C(N)=O)c2ccccc2)c2ccccc21 26224131 VKVKBIUYGVJSPZ-INIZCTEOSA-N 322.368 1.639 50 40 DDGB O=C(Cc1cn2ccsc2n1)NNC(=O)CC1CCCC1 7947224 ILYIOBHEQDMTEW-UHFFFAOYSA-N 306.391 1.666 50 40 DDGB C=CCNC(=S)NNC(=O)[C@@H](CCC(C)C)CC(C)(C)O 8829163 YUUICDKWRUTWLW-LBPRGKRZSA-N 315.483 1.881 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2ccccc2OCC(N)=O)cc1 409270468 PXLJHNYTVQXXLU-GRSHGNNSSA-N 311.341 1.623 50 40 DDGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1)OC2=O 100260172 ZFJAJJMVEFGBKX-QUXGOIKBSA-N 316.357 1.964 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2cc(C)ccc2O)cc1 12942526 XNDRUPAKEPXRIU-UHFFFAOYSA-N 314.341 1.713 50 40 DDGB CC1=CNC(C#N)=C(C#N)N=CC(C)=CNC(C#N)=C(C#N)N=C1 256004324 UIWRCYHTJZFBSH-UHFFFAOYSA-N 316.328 1.646 50 40 DDGB O=C(CC(=O)N/N=C/c1ccc(F)cc1)NCc1ccccc1 3057585 UQZHWTZFGFBICU-UDWIEESQSA-N 313.332 1.982 50 40 DDGB CS/C(N)=N\NC(=O)CCC(=O)Nc1cc(C)ccc1C 5808920 KUOCPAIYBSDFQX-UHFFFAOYSA-N 308.407 1.731 50 40 DDGB N#CSc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1 6025516 WROLPSMTEBOCEL-UHFFFAOYSA-N 304.356 1.086 50 40 DDGB Cc1csc([C@H](C)NCC(=O)NNC(=O)c2ccco2)n1 97112107 FPNMAFPBDHJQCJ-VIFPVBQESA-N 308.363 1.156 50 40 DDGB C[C@H](NS(=O)(=O)c1cccc(C(=O)NN)c1)c1ccccc1 225499705 SVPGSEJHQPQBOU-NSHDSACASA-N 319.386 1.330 50 40 DDGB N#C/C(=C/N1CC(=O)NC1=S)c1nc2ccccc2s1 17223385 HXLOZSVDTXKSOU-VURMDHGXSA-N 300.368 1.877 50 40 DDGB O=C(CC1(C(=O)O)CCCCC1)NNC(=O)c1ccccc1 13255539 PDFFGMIAKWAMIF-UHFFFAOYSA-N 304.346 1.873 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@@H]2CNCC=C12 48993 UHNPDLQGSMYSLE-HZPDHXFCSA-N 301.353 1.700 50 40 DDGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 281992 YCGINWDRWZUETG-UHFFFAOYSA-N 320.692 1.718 50 40 DDGB COCCn1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 20885008 YABZERFBDMWPDZ-WOJGMQOQSA-N 300.362 1.910 50 40 DDGB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)C1CC1 8664655 WXMBWKUBJYYIGW-UHFFFAOYSA-N 322.162 1.940 50 40 DDGB O=C(c1cccs1)[C@H](Br)C(O)(O)C(F)(F)F 159355 ACOPGDFDXPPWFE-LURJTMIESA-N 319.098 1.938 50 40 DDGB Cc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)c1 100097094 ZRIHEQXKIFUIGQ-OAHLLOKOSA-N 323.352 1.562 50 40 DDGB O=C(NNC(=O)c1ccccc1O)c1cccc([N+](=O)[O-])c1 11639279 CEXAWIGRZOEDCK-UHFFFAOYSA-N 301.258 1.375 50 40 DDGB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1480490 WITQFAOGGNTWST-ZDUSSCGKSA-N 324.296 1.810 50 40 DDGB Cc1cccc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)c1C 12635714 JEBAXTMBABETKM-UHFFFAOYSA-N 322.368 1.879 50 40 DDGB CC(=O)NNC(=O)CSc1nc2ccccc2n1CC(C)C 4254479 RUNJAWMKBNXGQT-UHFFFAOYSA-N 320.418 1.952 50 40 DDGB COc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1O 11297821 UOWIHPPUHSYPMA-UXBLZVDNSA-N 312.333 1.298 50 40 DDGB COc1ccccc1NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 12421662 BQUDFVCXSAPLIC-WPRPVWTQSA-N 318.782 1.221 50 40 DDGB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1 2457747 VXKRRLAIQCSGHI-UHFFFAOYSA-N 316.810 1.067 50 40 DDGB CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 59515570 YECBLFLWHLPWEW-GZTJUZNOSA-N 303.362 1.594 50 40 DDGB Cc1cc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c(C)o1 16149701 LANKTRPHVNVWEM-UHFFFAOYSA-N 312.322 1.659 50 40 DDGB O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2ccccc2)C1 5493832 INSMTSZJEXEZRB-NXEZZACHSA-N 304.824 1.377 50 40 DDGB NC(=S)N/N=C1\C(=O)N(CCCCCl)c2ccccc21 6231330 XIQYXKONTPKWNM-WJDWOHSUSA-N 310.810 1.590 50 40 DDGB COc1ccc(/C=N/NC(=O)CCn2nc(C)cc2C)cc1O 504084 BWFQIDGDZKXMAG-LICLKQGHSA-N 316.361 1.755 50 40 DDGB CCOC(=O)C1CCC(NP(=O)(N2CC2)N2CC2)CC1 103646574 UKWDIMCQZTYDPR-UHFFFAOYSA-N 301.327 1.437 50 40 DDGB COCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 3666579 VXHIVPIOPOUZON-ZETCQYMHSA-N 321.160 1.555 50 40 DDGB O=C(COc1ccccc1F)NNC(=O)Cc1ccccc1 3613934 ZFBSRTMKYCWLPS-UHFFFAOYSA-N 302.305 1.595 50 40 DDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccoc2C)[C@H](C(=O)O)C1 4651804 MTQZTMNKTCNVAK-CHWSQXEVSA-N 320.345 1.796 50 40 DDGB CCOC(=O)CN(C(=O)CCl)c1cccc([N+](=O)[O-])c1 12492501 GILKKZWPYIYGDJ-UHFFFAOYSA-N 300.698 1.730 50 40 DDGB O=C(O)/C=C/C(=O)NNC(=O)COc1cccc2ccccc12 6252884 WQUQGUCVEGEQNG-CMDGGOBGSA-N 314.297 1.007 50 40 DDGB Cc1cc(O)cc(O)c1/C=N/NC(=O)[C@H](O)c1ccccc1 115162 WCMMNFQQRXHOAB-GFHWABCWSA-N 300.314 1.590 50 40 DDGB CC(=O)O[C@@H](C(=O)NNC(=O)OC(C)(C)C)c1ccccc1 1642792 FWWVLPFGNQETOW-GFCCVEGCSA-N 308.334 1.847 50 40 DDGB Cc1cc([N+](=O)[O-])nn1CCC(=O)N/N=C/CC(F)(F)F 6787387 WLNWIGYIEDKREA-LNKIKWGQSA-N 307.232 1.544 50 40 DDGB O=C(CCC(=O)c1cccs1)NNC(=O)c1cccnc1 9364093 NTLKFPFHFKLOAI-UHFFFAOYSA-N 303.343 1.567 50 40 DDGB C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCC(=O)O 409020183 MMZCFZPRBKSESL-RQZCQDPDSA-N 320.345 1.747 50 40 DDGB Cc1c(C(=O)NN)cnc2cc(-c3ccccc3Cl)nn12 226106967 XXKPXCGWTCHLKI-UHFFFAOYSA-N 301.737 1.962 50 40 DDGB COCCOC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OC)c1 6169819 KBNFUCJMDAFQCC-UKTHLTGXSA-N 316.313 1.694 50 40 DDGB CC(C)C[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1 2604020 RZEPMZPIPWSLFE-MNOVXSKESA-N 310.350 1.814 50 40 DDGB NC(=S)N/N=C1\[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@@H]2[C@H]1[C@@H]3[C@@H](Br)[C@H]42 102972782 WDKGDSOBYBOGRK-GFAYJKBBSA-N 312.236 1.327 50 40 DDGB O=C1C(Cl)=C(NNC(=O)C(F)(F)F)C(=O)c2ccccc21 104211758 JUUREYOSIWVWLM-UHFFFAOYSA-N 318.638 1.699 50 40 DDGB CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccn2C)cc1 12910255 ALMDLRCZBXSGBN-UHFFFAOYSA-N 300.318 1.058 50 40 DDGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(OC)c1O 18240584 YUCZOMKYVSHLIH-VIZOYTHASA-N 304.306 1.205 50 40 DDGB COc1ccc(C(=O)[C@H](Br)S(C)(=O)=O)cc1 96517859 SHDHCSGATMFEIG-SNVBAGLBSA-N 307.165 1.644 50 40 DDGB CC(C)(C)OC(=O)NC1(CI)COC1 585670011 XMCQSTOERWLWCB-UHFFFAOYSA-N 313.135 1.715 50 40 DDGB N#C/C(=C\N1C(=O)CC(=O)NC1=S)c1cccc(Cl)c1 8665195 OXQARKQROOUJAS-VQHVLOKHSA-N 305.746 1.838 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)CSCc1c(C)noc1C 104438382 UAZOIDFZTZRUSC-FLIBITNWSA-N 323.374 1.393 50 40 DDGB CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)CC#N)cc1 13940905 YESMXWZXWJQTHJ-VXLYETTFSA-N 315.333 1.379 50 40 DDGB CC(=O)N(C(C)=O)c1ccccc1[C@@H](Cl)S(C)(=O)=O 1869914 IMUWANZVVXYOCQ-LBPRGKRZSA-N 303.767 1.868 50 40 DDGB C[C@H](Br)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 3157076 OSFLSJPDQHJIQQ-LURJTMIESA-N 316.111 1.139 50 40 DDGB CC(C)NC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl 2311589 HQMCNDRZMPCCPN-UHFFFAOYSA-N 318.160 1.279 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cs1 2743988 UZAIYRMWCWBWDI-QCZKYFFMSA-N 322.386 1.564 50 40 DDGB COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1cccs1 3229100 LGDSPILQRFLVKI-LZYBPNLTSA-N 319.342 1.978 50 40 DDGB Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 1952896 JHGOJWWKNDUACL-AWNIVKPZSA-N 318.249 1.000 50 40 DDGB O=C(CNC(=O)c1cccs1)N/N=C/c1ccc(O)cc1O 2283450 FBMJMTBZPYSEOJ-FRKPEAEDSA-N 319.342 1.039 50 40 DDGB O=C1OC(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]12 100020458 MTFOVFKEUAKPNY-OMMKOOBNSA-N 311.957 1.623 50 40 DDGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 3057779 LZPIEDXIWJDNPN-CXUHLZMHSA-N 306.322 1.207 50 40 DDGB Cc1occc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1C 5724494 HAOMSXJQGIJGJS-UHFFFAOYSA-N 303.274 1.879 50 40 DDGB O=C(CCC(=O)NC1CCCCC1)N/N=C/c1cccnc1 21005964 YTZSBYQEHGDSLO-LDADJPATSA-N 302.378 1.761 50 40 DDGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)[C@H]1CCCO1 100090257 DCIRSMHSKUONSN-HVOBPNNYSA-N 307.325 1.825 50 40 DDGB CCC[C@@H](CCC(=O)NNC(=O)c1ccc(OC)cc1)C(=O)O 2423485 YJQDGSDBERDOAU-LBPRGKRZSA-N 322.361 1.737 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 6204311 WLDRPCLOEQRWOQ-STQMWFEESA-N 304.346 1.647 50 40 DDGB Cc1ccc2[nH]c(=O)c(/C=N/NC(=O)c3ccncc3)cc2c1 9291010 GZHRDGZUTVUDHP-VXLYETTFSA-N 306.325 1.995 50 40 DDGB CC(=O)Oc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 408780543 DEINFQSESHRHCR-MHWRWJLKSA-N 306.318 1.215 50 40 DDGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Br)s1 24306939 PBGRPUXTJKZSLW-PHDIDXHHSA-N 303.181 1.928 50 40 DDGB CNC(=O)NNC(=O)CCCC(=O)c1c(C)cc(C)cc1C 56377184 PIWCYFZYQBSVLE-UHFFFAOYSA-N 305.378 1.925 50 40 DDGB O=C(NNC(=O)c1ccc[nH]c1=O)c1ccccc1-n1cccc1 12562141 FYZAALIHYLWLGE-UHFFFAOYSA-N 322.324 1.240 50 40 DDGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)CC(C)C 12757569 GMVYKBXCAGPHGW-UHFFFAOYSA-N 314.363 1.049 50 40 DDGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(N)=O)c2C)c(C)c1 408934391 CLNNIJFTVBUBJL-DJKKODMXSA-N 312.373 1.646 50 40 DDGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 33384227 SUPOWFAECZKOCS-QPEQYQDCSA-N 304.218 1.860 50 40 DDGB O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(=O)[nH]n1 8134859 ZWJSKSRGMAKQFI-UHFFFAOYSA-N 315.720 1.728 50 40 DDGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cc(F)ccc2F)n1 44026496 XPFLQTSITWTLOT-WEVVVXLNSA-N 302.288 1.862 50 40 DDGB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1 2272578 ACGFKIPFYPFSGZ-GHMZBOCLSA-N 310.350 1.958 50 40 DDGB Cc1cccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)n1 217377241 YDQIRUUVJADHLM-JTQLQIEISA-N 302.783 1.149 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4651638 KYUFSQOANSYQJK-YTWAJWBKSA-N 320.370 1.340 50 40 DDGB O=C(NNC(=O)c1ccccn1)c1cccc(Br)c1 258348 BIUQAEAEHYMSPE-UHFFFAOYSA-N 320.146 1.919 50 40 DDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccco2)cc1 7783825 AJWHDAKBVJQXJD-LICLKQGHSA-N 301.302 1.055 50 40 DDGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)O 59515381 JPACCPYRWQJYDE-PQHBYJLHSA-N 301.140 1.289 50 40 DDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccccc1O 59463255 SFDAAQADTXYUQX-QGMBQPNBSA-N 313.313 1.683 50 40 DDGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(C)C1=C2CC=CC1 33364 HRGQJPSZCNQZAE-KRWDZBQOSA-N 311.341 1.636 50 40 DDGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccccc1C(F)(F)F 1302731 VLHZDCHLUZSHPJ-REZTVBANSA-N 312.251 1.827 50 40 DDGB CC(=O)N[C@@H](C(=O)N/N=c1/sc2ccccc2n1C)C(C)C 104923823 HDTDHAILCAMFEC-MIKWNVPKSA-N 320.418 1.332 50 40 DDGB Cc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)[nH]n1 5625895 IEQGEYFHAFCERY-RQZCQDPDSA-N 324.344 1.682 50 40 DDGB CC(C)c1n[nH]c2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 5817475 BMUFFMJKDFKNLC-QGZVFWFLSA-N 321.340 1.858 50 40 DDGB C[Si]1(C)CC[Si](C)(C)OS(=O)(=O)CS(=O)(=O)O1 195752625 VTNUPBYAQLVAJT-UHFFFAOYSA-N 318.521 1.061 50 40 DDGB NC(=S)N/N=C1/[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 261361248 WDKGDSOBYBOGRK-YWWJRIGLSA-N 312.236 1.327 50 40 DDGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1 5530802 QSZMVDRSXXXOES-SNVBAGLBSA-N 300.705 1.641 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(OC)c1OC 50283 QXLMRSDBFLKAPR-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB CSc1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)cc1 100380837 KEBODHOFIJPXJW-AZZDOICSSA-N 304.375 1.371 50 40 DDGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OC(C)C)cc1 7784454 GZYULJHXWFZHHW-VCHYOVAHSA-N 305.378 1.696 50 40 DDGB CC(C)(C)c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)[nH]n1 8971070 KUKZFWRRMWAAIS-VGOFMYFVSA-N 305.294 1.972 50 40 DDGB NNC(=O)[C@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1 225329914 PNRMSCFWBRXVOW-CQSZACIVSA-N 315.304 1.223 50 40 DDGB O=C(N/N=C1\C(=O)N(C2CSC2)c2c(F)cccc21)C1CC1 223758170 HCVSTQKKSRIABT-ATVHPVEESA-N 319.361 1.518 50 40 DDGB COc1ccc(/C=N/NC(=O)Cn2nc(C)cc2C)c(OC)c1 188843 IJPBNDAUYVVVNX-RQZCQDPDSA-N 316.361 1.667 50 40 DDGB O=C(NNC(=S)NC[C@H]1CCCO1)Nc1ccc(F)cc1 9189553 ANEFZRAWUVDSRY-LLVKDONJSA-N 312.370 1.505 50 40 DDGB CCOc1ccc(/C=C/C(=O)NNC(N)=S)cc1OCC 62715035 SDVJLRGFEKQGIX-SOFGYWHQSA-N 309.391 1.362 50 40 DDGB C=CCSc1nc2c(c(=O)[nH]1)[C@H](C(C)C)C(C#N)=C(N)O2 8584065 CYZJXPVUZCVQGI-SECBINFHSA-N 304.375 1.874 50 40 DDGB CCCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 5501717 XANITMJOEHDOAQ-UHFFFAOYSA-N 305.378 1.970 50 40 DDGB CC(C)(C)OC(=O)NNC(=O)[C@H]1Cc2ccccc2OC1=O 5714234 LYDZBGHQFWXWID-SNVBAGLBSA-N 306.318 1.320 50 40 DDGB in-vitro Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 4262779 VGRRUAJSKUAPLO-ZDUSSCGKSA-N 324.296 1.810 50 40 DDGB CN(CCCl)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 5328768 YHYMAZVLIDBYHI-UHFFFAOYSA-N 323.805 1.276 50 40 DDGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\c1ccoc1 32916010 ROSHHLCERWKWSD-IDUWFGFVSA-N 305.721 1.813 50 40 DDGB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)NC(C)=C2C#N)c1 14165616 VWLKBWJXIKOGAN-LLVKDONJSA-N 315.329 1.576 50 40 DDGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O 16385695 LINZKUPVEINIHI-MLPAPPSSSA-N 320.217 1.566 50 40 DDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCCCC)cc1 4603537 SEJLEYZERIPOLB-LDADJPATSA-N 303.362 1.618 50 40 DDGB COc1ccccc1/C=C\C=N/NC(=O)Cc1cc(O)[nH]n1 38180302 AWIAZIZAZZORMD-AVRBZCQOSA-N 300.318 1.482 50 40 DDGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)C(N)=O)cc1 3240165 CPVSCSDNDYUWKI-UDWIEESQSA-N 324.384 1.649 50 40 DDGB COc1ccccc1OCC(=O)N/N=C\c1ccc(N(C)C)o1 408993414 COKJOXKZBYNTOO-YVLHZVERSA-N 317.345 1.883 50 40 DDGB Cc1cc(C)nc(NNC(=O)C[C@@H]2C(=O)Nc3ccccc32)n1 63876826 RMWGHUTUTDZOSS-LBPRGKRZSA-N 311.345 1.663 50 40 DDGB O=C(COC(=O)/C=C/c1ccccc1)NNC(=O)c1ccccc1 6013000 AZHNZZVDTJZLDP-VAWYXSNFSA-N 324.336 1.704 50 40 DDGB COC(=O)c1ccc(/C=N\NC(=O)c2sc(N)nc2C)cc1 31857559 LMGAZMKEOXXNFF-APSNUPSMSA-N 318.358 1.584 50 40 DDGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1cccnc1O 12985672 OAUXSXIRDNETCC-UHFFFAOYSA-N 315.329 1.244 50 40 DDGB Cc1ccc(NCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1 100503152 MSNRMFGHVLDREJ-HEHNFIMWSA-N 322.368 1.904 50 40 DDGB CC(=O)[C@]1(C)OC(N)=C(C#N)[C@H](c2ccccc2)C1(C#N)C#N 50403 AZSBWFUUXLHAIJ-HOCLYGCPSA-N 306.325 1.876 50 40 DDGB COC(=O)c1cc(NC(=O)NCCCl)cc(C(=O)OC)c1 3225406 AABNSXJNRPNONV-UHFFFAOYSA-N 314.725 1.620 50 40 DDGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnsn3)cc2C1 47816901 VMMXETMYXCLFTQ-SSDOTTSWSA-N 322.415 1.799 50 40 DDGB NC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccccc1 26222407 ILSHPCGRORKGSG-OAHLLOKOSA-N 301.321 1.216 50 40 DDGB CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2ccco2)c1C 8988355 UWOBMESGHKEFKP-UHFFFAOYSA-N 319.317 1.476 50 40 DDGB CCC[C@H]1[C@@H]2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N 20000834 WYNSZOSOXLKGEO-CABCVRRESA-N 309.373 1.591 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cs1 6281375 UZAIYRMWCWBWDI-DMWPJOQESA-N 322.386 1.564 50 40 DDGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)NC1CCCC1 59444763 JSJGBYYZSHRWOP-IUXPMGMMSA-N 311.744 1.988 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CCOCC(F)(F)F)cc1 32796705 ILBSRGPIXXNJFJ-UHFFFAOYSA-N 304.268 1.725 50 40 DDGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(OC)c1O 408760649 CIKLEDYUAZHMFN-KPKJPENVSA-N 318.329 1.175 50 40 DDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cccc(O)c1 83331645 KBNPWLANFSXGRX-LSCVHKIXSA-N 313.313 1.683 50 40 DDGB C/C(=N\NC(=O)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] 98055378 MANALJHVISBUHT-YAFRSCOQSA-N 306.322 1.797 50 40 DDGB CC1(C)NC(=O)[C@@]2(C[C@@H](OC(=O)c3ccccc3)C=C2C=O)O1 5464167 OOZBYTLIGFAPOH-GUYCJALGSA-N 315.325 1.362 50 40 DDGB CCC[C@@]1([N+](=O)[O-])CC[C@@](C)(O)[C@H](/C(C)=N\NC(N)=O)C1 5731872 ZULOSMOAFIZNFR-VFRIPEGASA-N 300.359 1.397 50 40 DDGB O=C(N/N=C/c1ccccn1)C(=O)Nc1cccc(Cl)c1 5605166 ZMAHTHPMKOQGJV-RQZCQDPDSA-N 302.721 1.824 50 40 DDGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccncc1 100150050 VGHGCPBFOIZCKX-BKQORJHRSA-N 321.340 1.836 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2cccnc2)cc1OC 378954 LXBHPHUJDZGYJO-UHFFFAOYSA-N 315.329 1.103 50 40 DDGB Cc1cc(C)n(CCC(=O)NNC(=S)Nc2ccccc2)n1 5613337 OAFDECPFAQVXLP-UHFFFAOYSA-N 317.418 1.908 50 40 DDGB COC1=C(C(C)=O)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 49947118 LKDHVMCHVBNVPP-MRXNPFEDSA-N 311.297 1.048 50 40 DDGB N/C(C[C@@H]1Nc2cccnc2N1C1CC1)=N\OC(=O)CCl 4288702 ZTCVXBXWLXZIFV-LLVKDONJSA-N 309.757 1.246 50 40 DDGB O=C(/C=C/c1ccccc1)NCC(=O)N/N=C\c1cccnc1 31829170 FRRRPZAYAGHFPX-DERKEVEESA-N 308.341 1.361 50 40 DDGB CNC(=S)/C(C#N)=C(\N)N1CCN(c2ccc(F)cc2)CC1 100034597 OEPMWBSRMMEHAX-BUHFOSPRSA-N 319.409 1.188 50 40 DDGB Cc1cccc(C(=O)NNC(=O)CCn2nnc3ccccc32)c1 419229 ARNQPYHPDMDTNL-UHFFFAOYSA-N 323.356 1.591 50 40 DDGB C=CCc1cc(/C=N/NC(C)=O)cc(OC)c1OCC(=O)O 59678304 JKPIFFDFDNYPNX-LZYBPNLTSA-N 306.318 1.357 50 40 DDGB O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccc(F)cc1 13255365 GDZJLJDFIWHGFT-NWDGAFQWSA-N 306.293 1.254 50 40 DDGB C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)c1ccoc1C 4549498 YJDOEODPTODKBD-YXHQGMJNSA-N 307.350 1.379 50 40 DDGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN2CCCCC2)c1 408719581 XLOVRALWRGHJPP-CPNJWEJPSA-N 316.405 1.971 50 40 DDGB NNC(=O)c1cc(Br)cc(Br)c1N 162588 GOONVUGWFUNIJB-UHFFFAOYSA-N 308.961 1.397 50 40 DDGB COCC(=O)N/N=C(\C)CC(=O)Nc1ccc(N(C)C)cc1 5249870 VLLYXNMTYCYGMW-GZTJUZNOSA-N 306.366 1.220 50 40 DDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccccc1 19954085 DRHYUOSUJJVDJM-XNTDXEJSSA-N 321.358 1.196 50 40 DDGB COc1ccc(/C(C)=N/NC(=O)Cc2cc(O)n[nH]2)cc1OC 19825977 OHFWXOVWEFDDRM-CXUHLZMHSA-N 318.333 1.215 50 40 DDGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1 100436093 YMRQDRNBOCPIMT-LVZFUZTISA-N 323.352 1.871 50 40 DDGB COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1[N+](=O)[O-] 59401710 JLWJUOVLDFKZQY-MHWRWJLKSA-N 320.349 1.539 50 40 DDGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN)cc1 3886243 CWCQUNLOPNVHBR-VXGBXAGGSA-N 305.378 1.458 50 40 DDGB C[C@@H]1CC(C)(C)[C@@H](CNC(=O)CCl)[C@@H]1NC(=O)CCl 4844035 AXNCLGOFPPLGAX-VDDIYKPWSA-N 309.237 1.747 50 40 DDGB Cc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(O)cc1O 34629341 BAFUWONWQMMGBA-NVMNQCDNSA-N 324.340 1.906 50 40 DDGB COc1cccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1 40177563 XTARPBQWCGUXEW-NSHDSACASA-N 317.794 1.454 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)CC(=O)NC(C)C)c1 5381036 XUYRJYJNNOGOLL-GZTJUZNOSA-N 303.362 1.616 50 40 DDGB Cc1ccc(C)c(OCCC(=O)NNC(=S)NC2CC2)c1 7988089 NQTKSWXIXUYFDV-UHFFFAOYSA-N 307.419 1.730 50 40 DDGB COc1ccc(NC(=O)CCl)cc1S(=O)(=O)N(C)C 8037256 LDKUUMITLKKHFM-UHFFFAOYSA-N 306.771 1.123 50 40 DDGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(N)=S 545827 VKQZCTLUZKVKSU-YFKPBYRVSA-N 308.190 1.625 50 40 DDGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 35406268 OSBVWJZQXCNURG-BRYYZUPOSA-N 315.285 1.484 50 40 DDGB O=CN/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1 3225273 MLIYNGVFGLYPEE-MHWRWJLKSA-N 316.386 1.727 50 40 DDGB N#CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 8237196 ZTFOEHNEOWLJRE-HFQYIWAZSA-N 311.341 1.791 50 40 DDGB COC(=O)[C@@H]1C[C@H](Br)CN1C(=O)OC(C)(C)C 26894770 TXQUSDPQTQXELO-YUMQZZPRSA-N 308.172 1.932 50 40 DDGB CCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3009122 ARAMFHWMVIYTDD-FRKPEAEDSA-N 302.161 1.970 50 40 DDGB O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1ccco1 2316420 BBTXSDPZYYJWMK-CMDGGOBGSA-N 315.354 1.629 50 40 DDGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1)OC2=O 529879 ZFJAJJMVEFGBKX-FDXHFJGXSA-N 316.357 1.964 50 40 DDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1 2132129 LCGKULTZOWUBCE-UHFFFAOYSA-N 311.341 1.867 50 40 DDGB O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccccc1F 13250917 FENLWTQWGHCWEK-NXEZZACHSA-N 306.293 1.254 50 40 DDGB CCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccco1 408996384 HZIHPPKARPZYIV-UHFFFAOYSA-N 301.302 1.703 50 40 DDGB COc1ccc(C(=O)NN/C(C)=C2\C(=O)C=C(C)OC2=O)cc1 137022103 SMSQPJRTUQYTQO-GXDHUFHOSA-N 316.313 1.233 50 40 DDGB COc1cc(/C=N\NC(=O)c2ccncc2)cc([N+](=O)[O-])c1O 34894993 GZHSOWPEJKLYGP-PXNMLYILSA-N 316.273 1.468 50 40 DDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccn1 58884890 PFBBECZCVJWYLF-WOJGMQOQSA-N 312.329 1.569 50 40 DDGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)NCc1cccnc1 4703135 KLKHOBCWLBSUCJ-STZFKDTASA-N 324.384 1.823 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1 289938 YJKLQXAUHKPXPT-UHFFFAOYSA-N 300.314 1.779 50 40 DDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59519689 MOAVCYJTBZJMFV-FRKPEAEDSA-N 300.145 1.746 50 40 DDGB Cc1occc1C(=O)NNS(=O)(=O)c1cccnc1Cl 22408523 RWBYGURMHRCUEO-UHFFFAOYSA-N 315.738 1.260 50 40 DDGB O=C([C@@H]1CCCN1C(=O)CBr)N1CCCCC1 72207508 DYCAINPWHBLDCP-JTQLQIEISA-N 303.200 1.385 50 40 DDGB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)OCc1ccccc1 169227523 SDLSNWISSFHCKT-WDEREUQCSA-N 303.767 1.317 50 40 DDGB CCOc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1 11335578 XFYVEXBKRQOEND-FMIVXFBMSA-N 310.361 1.983 50 40 DDGB Nc1nonc1C(=O)N/N=C/c1cc(Br)cs1 1058207 UBBSVOBQNNRRJV-BIIKFXOESA-N 316.140 1.240 50 40 DDGB O=C(COc1ccccc1)NNC(=O)COc1cccc(F)c1 3553218 CHFBCOXNZRNEDJ-UHFFFAOYSA-N 318.304 1.431 50 40 DDGB O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1cccs1 9478571 LZMXLUVERCKJRZ-UHFFFAOYSA-N 313.338 1.664 50 40 DDGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)n1 408977595 JDBYVJUDZJNAGH-RIYZIHGNSA-N 324.340 1.611 50 40 DDGB Cn1nc(C(=O)N/N=C2\C[C@H]3C=CC[C@@H]23)c2ccccc2c1=O 8341804 PSULSGMMPCSRPL-RYMPHZRMSA-N 308.341 1.615 50 40 DDGB Cc1ccc(S(=O)(=O)NN(C)C(=O)c2ccccc2)cc1 1696160 DJHHIEKLDNTILL-UHFFFAOYSA-N 304.371 1.961 50 40 DDGB O=C(NCCCl)NNC(=O)c1cc2ccccc2cc1O 3225607 MADFLMPILKFENR-UHFFFAOYSA-N 307.737 1.728 50 40 DDGB Cn1nnnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1 2660152 JDXJHVFTTHDAFP-UHFFFAOYSA-N 313.346 1.144 50 40 DDGB O=C1NC(=O)c2cc(NC(=O)N3CCSSCC3)ccc21 89807615 SMKVPYSWHRFOFV-UHFFFAOYSA-N 323.399 1.799 50 40 DDGB CC(C)C(=O)N/N=C1\C(=O)N(C2CSC2)c2ccccc21 223719287 ITZMOKFXLGAHHO-SSZFMOIBSA-N 303.387 1.625 50 40 DDGB Cc1cccc(C(=O)NNc2nc(Cl)nc3[nH]nnc23)c1 98086746 YDZMBPRRUQQKRX-UHFFFAOYSA-N 303.713 1.467 50 40 DDGB NNC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 1712191 XHBGHZUKMSXPKB-QDIHITRGSA-N 308.337 1.584 50 40 DDGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCC(=O)O 59334246 XUHUZHZVXGIJFZ-WDZFZDKYSA-N 304.302 1.154 50 40 DDGB CCOc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1 59515312 FYADRVPXARXYGZ-WOJGMQOQSA-N 305.378 1.698 50 40 DDGB O=C(NCc1ccco1)C(=O)N/N=C/c1c(F)cccc1Cl 3080062 CDHCYHUTFCDZBJ-QGMBQPNBSA-N 323.711 1.839 50 40 DDGB N#CC1=C(O)NC(=O)[C@@H]([n+]2ccccc2)[C@@H]1c1ccc(F)cc1 4550984 DPZRRQFHMFMHPZ-CABCVRRESA-O 310.308 1.861 50 40 DDGB CC(C)C(=O)N/N=C1\C(=O)N(C2CSC2)c2c(F)cccc21 223758082 VXRSNASCNMHXAN-ATVHPVEESA-N 321.377 1.764 50 40 DDGB N#CC1=C(N)Oc2cc(O)ccc2[C@]12C(=O)Nc1ccccc12 1436432 QMVLSYSURCMBCN-KRWDZBQOSA-N 305.293 1.717 50 40 DDGB NC(=O)NN(c1ccccc1)[C@H]1OC(=O)C(Cl)=C1Cl 3171959 YBHRGAQUVGWPNJ-VIFPVBQESA-N 302.117 1.648 50 40 DDGB CC[C@@H](C)C(=O)NNC(=O)c1cc(Br)cn1C 25610961 WUHPQBUNRVSGRL-SSDOTTSWSA-N 302.172 1.595 50 40 DDGB O=C(CCl)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 3886483 AFXOINVVLIRMFU-LBPRGKRZSA-N 301.795 1.441 50 40 DDGB CC1(C)[C@]2(CBr)OC(=O)[C@]1(C(=O)O)CCC2=O 217628233 WBPZYZHOYHZSOH-GHMZBOCLSA-N 305.124 1.137 50 40 DDGB CCOc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1O 4714644 VULOICOMULBIES-GZTJUZNOSA-N 305.378 1.727 50 40 DDGB O=C(/C=C/c1ccco1)NC(=S)NNC(=O)c1ccncc1 6883748 PEHLNSPMVOTYTA-ONEGZZNKSA-N 316.342 1.024 50 40 DDGB O=C1CC[C@@H](C(=O)N/N=C/c2ccc(Br)cc2)N1 4724657 CZMLTVRPKMOMOX-UQDQQJHMSA-N 310.151 1.178 50 40 DDGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc[nH]3)[nH]n2)cc1 89640990 QXFGQKAHAGXMEQ-UHFFFAOYSA-N 309.329 1.788 50 40 DDGB Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1CC[C@H]1CC=CCC1 72415071 QARCBDWQJPNUOC-VIFPVBQESA-N 311.769 1.287 50 40 DDGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OC(C)C)cc1 3058101 NATGKYFDMXZQGW-GZTJUZNOSA-N 305.378 1.792 50 40 DDGB COc1ccccc1OCC(=O)NNC(=S)NC(C)(C)C 8301836 QAFNSHSHUMYUTC-UHFFFAOYSA-N 311.407 1.368 50 40 DDGB COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1O 47367593 XNIFRUATMLCLQU-UHFFFAOYSA-N 322.342 1.024 50 40 DDGB CSc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 59444342 QHGJCNBFHVJEHP-LFIBNONCSA-N 305.403 1.871 50 40 DDGB C/C(N)=C(\C#N)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 105808615 YFZSJFGTKDDPKV-VURMDHGXSA-N 319.670 1.846 50 40 DDGB C=CCNC(=S)NNC(=O)[C@@H](CCC(C)C)C[C@H](C)O 8686389 SRBWVUFOJQUFHS-RYUDHWBXSA-N 301.456 1.491 50 40 DDGB CC(=O)NCCc1ccc(-c2csc(NNC(C)=O)n2)cc1 9154360 MSBMGKLJXPZOOX-UHFFFAOYSA-N 318.402 1.952 50 40 DDGB NC(=S)N/N=C1/[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]([C@@H]5Br)[C@H]42 261361246 WDKGDSOBYBOGRK-NULHYINKSA-N 312.236 1.327 50 40 DDGB CCO[Si](CCCOC[C@@H]1COC(=O)O1)(OCC)OCC 627276221 HSLQYFHPKMIRHF-GFCCVEGCSA-N 322.430 1.977 50 40 DDGB O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)C(=O)N/N=C1\C[C@H]2CC[C@H]1C2 104044860 OQLAOXNDCYBUFL-ITWHSPAWSA-N 302.378 1.571 50 40 DDGB Cn1cc(Br)c(C(=O)N/N=C/c2ccccc2O)n1 5510530 YRDOWEWJKFDHEU-MKMNVTDBSA-N 323.150 1.652 50 40 DDGB Cc1ccc(NC(=O)NNC(=O)CCO)cc1C(F)(F)F 95942592 CMPARBPBGQCBEF-UHFFFAOYSA-N 305.256 1.549 50 40 DDGB CCn1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cn1 32573580 NGYGNOBHTATKNO-PXNMLYILSA-N 302.334 1.684 50 40 DDGB O=C(/C=C/CBr)N[C@H](Cc1ccccc1)C(=O)O 17430012 PHIWAOXBFWSAIB-TZOMUSMUSA-N 312.163 1.750 50 40 DDGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1cccnc1 17363335 IJRVXWZJEGJZOJ-UHFFFAOYSA-N 306.325 1.947 50 40 DDGB Cc1cccc(OCC(=O)NNC(=O)c2cc(Cl)cn2C)c1 12394239 DSXLWSGKROZMMW-UHFFFAOYSA-N 321.764 1.827 50 40 DDGB CCCCSC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167678 ULSVODCLFKAYGY-SFYZADRCSA-N 301.886 1.799 50 40 DDGB CCO[Si](CCCNC(=O)/C=C/C(=O)O)(OCC)OCC 195751567 YSIBYEBNVMDAPN-CMDGGOBGSA-N 319.430 1.182 50 40 DDGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1cccc(N)c1 96519101 XENSMVVMZIVODH-NXEZZACHSA-N 308.197 1.458 50 40 DDGB Cc1cc(C)n2nc(C(=O)N/N=C/c3ccccc3O)nc2n1 195958 RMJAYWNWPVEHNJ-LZYBPNLTSA-N 310.317 1.211 50 40 DDGB N#CC1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc(F)cc1 3073389 HFJUEOIBLPJEBS-VIFPVBQESA-N 316.317 1.790 50 40 DDGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(F)cc1 102633183 NFXBWGYUAOSLJE-UKJIMTQDSA-N 318.304 1.110 50 40 DDGB O=C1N[C@H]2C=C[C@H]3[C@H](Br)[C@H](Br)[C@H]3[C@H]12 104280935 AOIDITPIVSOXMY-PPOMMRCSSA-N 306.985 1.444 50 40 DDGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OC 408721703 LIMGWONEEZDOMQ-GZTJUZNOSA-N 322.361 1.697 50 40 DDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc(C)c1O 5748173 UODNQVSJHNTHBO-OQLLNIDSSA-N 318.293 1.006 50 40 DDGB CCOC(=O)c1cccc(NC(=O)CCNC(=O)CCl)c1 15423092 WFZDDDOECGNMLJ-UHFFFAOYSA-N 312.753 1.547 50 40 DDGB COc1cccc(C(=O)NNC(=O)c2ccccc2OC)c1 290293 RYOFVVKYAICCNM-UHFFFAOYSA-N 300.314 1.779 50 40 DDGB CCOC(=O)[C@H]1CO[P@@](=O)(N(CCCl)CCCl)N1 1556920 LCSKFSHPFAAHJP-NTCNTBNZSA-N 319.125 1.426 50 40 DDGB CCc1ccccc1OCC(=O)NNC(=O)c1cccnc1O 12941016 REXOTHOJTHVIOA-UHFFFAOYSA-N 315.329 1.190 50 40 DDGB COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cn2)c1O 83295566 MKWSTWVYGPXAAJ-APSNUPSMSA-N 316.273 1.468 50 40 DDGB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSSCC1 95454401 QXMIPMDDXXQGOP-UHFFFAOYSA-N 320.417 1.981 50 40 DDGB O=C(CCl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 43830428 IRLYSGNEYKGGLJ-UHFFFAOYSA-N 307.703 1.988 50 40 DDGB CCn1ncc(/C=N/NC(=O)c2ccnn2C(F)F)c1F 252497711 QNUIFIGDYVNBPB-PJQLUOCWSA-N 300.244 1.398 50 40 DDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccn2C)c1C 8937750 VFISBJSHSGDJFN-UHFFFAOYSA-N 302.334 1.247 50 40 DDGB N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)C(N)=O 13798990 LJYLWIZPMAYMEF-GXDHUFHOSA-N 308.341 1.464 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)c2cccnc2)cc1[N+](=O)[O-] 4180441 PHEMMVXAYHPWGX-RQZCQDPDSA-N 313.317 1.820 50 40 DDGB N#C/C(=C\N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 32029828 OCPSGJSCPIDBLX-SDNWHVSQSA-N 319.386 1.023 50 40 DDGB Cc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)o1 3515538 APWZCJVARRPPAQ-OMCISZLKSA-N 300.240 1.954 50 40 DDGB COc1cc(OC)c(/C=N/NC(N)=O)cc1Br 71256462 SIMSLKRLXSZXII-WLRTZDKTSA-N 302.128 1.469 50 40 DDGB C[C@@]12CC[C@@H](C(=O)OC1=O)[C@@]2(C)CI 95686637 CLQHFGNWUFISQU-WQGWLQIFSA-N 308.115 1.927 50 40 DDGB CCOC(OCC)C(=O)N/N=C/c1ccc(NC(C)=O)cc1 255187884 HIVPXMNVSCOMPC-MHWRWJLKSA-N 307.350 1.494 50 40 DDGB CC(C)[C@]12NC(=O)[C@@](C#N)(C(C#N)=C(Br)N1)C2(C)C 100248783 VQNYDSNIJBNOKZ-CHWSQXEVSA-N 323.194 1.738 50 40 DDGB COc1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 102458279 GTXZZASNTXHUQN-SDXDJHTJSA-N 309.325 1.806 50 40 DDGB O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccccc1F 200983 NEDFFDBRNDJOMA-VXLYETTFSA-N 324.315 1.755 50 40 DDGB Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(N)=O)cc12 4130186 KMODWOBRFJXVDS-UHFFFAOYSA-N 315.358 1.709 50 40 DDGB N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(N)=O 4854708 CSRAIWFRDQQDQK-WQLSENKSSA-N 300.318 1.977 50 40 DDGB CN(NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 8358101 WHHKUHRZADPWKE-UHFFFAOYSA-N 323.352 1.840 50 40 DDGB O=S1(=O)CC(CBr)=C(CBr)C1 1711179 MRZJNXYLMUVKCF-UHFFFAOYSA-N 304.003 1.501 50 40 DDGB in-vitro CNC(=O)/C(C#N)=C\c1ccccc1I 57548886 GDORQPOOWWGYKM-TWGQIWQCSA-N 312.110 1.944 50 40 DDGB O=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1ccccc1 44950438 VPBDUXUVQZOWDR-UHFFFAOYSA-N 324.402 1.195 50 40 DDGB NC(=O)Cn1cc(/C=N\NC(=O)c2ccco2)c2ccccc21 33797093 URMBTXUGOOUBEX-LSCVHKIXSA-N 310.313 1.484 50 40 DDGB COc1ccccc1CCNC(=O)NNC(=O)c1ccccc1 45128066 HIKSSOQSIAWVPJ-UHFFFAOYSA-N 313.357 1.882 50 40 DDGB COC(=O)c1sc(N)c(C(=O)OC)c1CBr 2654175 NMSHYUGFGVPXST-UHFFFAOYSA-N 308.153 1.798 50 40 DDGB CC(C)(O)C(C)(C)OB(O)c1ccccc1CBr 169872160 WEIVMHGFTOQPMH-UHFFFAOYSA-N 315.016 1.835 50 40 DDGB CCc1nnc(SCC(=O)NNC(=O)Cc2ccccc2)o1 7604765 WZNPHRXXMZHLCY-UHFFFAOYSA-N 320.374 1.114 50 40 DDGB C/C(=N\NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1ccco1 541192 ZHCQOTSIYBLNJH-RIYZIHGNSA-N 305.294 1.542 50 40 DDGB COc1cc2c(cc1/C=N/NC(=O)c1ccccc1O)OCO2 409072528 VUGBOFLLBHIFSW-CAOOACKPSA-N 314.297 1.893 50 40 DDGB Cc1ccc(OCC(=O)N/N=C/c2cc(O)ccc2O)cc1 342511 LBAPRGGIXMYRFV-RQZCQDPDSA-N 300.314 1.935 50 40 DDGB CC(C)(C)c1nnc(NNC(=O)Cc2ccccc2)[nH]c1=O 22854131 TTYZTXFDVBBUCJ-UHFFFAOYSA-N 301.350 1.148 50 40 DDGB N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](c2ccc(F)cc2)C1(C#N)C#N 14944873 PTIYVEJBWWDVFV-BBRMVZONSA-N 302.272 1.726 50 40 DDGB O=S(=O)(CCl)NS(=O)(=O)c1ccc(Cl)cc1 255189243 OQDOWHZVBLQFMD-UHFFFAOYSA-N 304.176 1.144 50 40 DDGB CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 50895427 TXYNNNXPGQDRLR-SFHVURJKSA-N 323.396 1.781 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccncc3)ccc21 97436 BOXBJICKVKJLEP-VCHYOVAHSA-N 309.329 1.036 50 40 DDGB CCCS(=O)(=O)NNC(=O)c1ccc2c(c1)nc(C)n2CC 3316136 UYHBHSGOCGZBEV-UHFFFAOYSA-N 324.406 1.339 50 40 DDGB C=CCNC(=S)NNC(=O)[C@@H](CCC(C)C)C[C@@H](C)O 8686385 SRBWVUFOJQUFHS-NEPJUHHUSA-N 301.456 1.491 50 40 DDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(O)cc1 100213346 XBQOUBMYWNOHDS-CYBMUJFWSA-N 312.281 1.056 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(C)=O 232281 FNAOGSPJZUDISV-VCHYOVAHSA-N 313.313 1.779 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)CC#N)cc1Br 59465365 QNWPMOWMNSXSIG-OVCLIPMQSA-N 309.167 1.879 50 40 DDGB O=C(CCC(=O)NNC(=O)c1ccco1)NCc1ccccc1 1794699 GOQCDKMECNXJQD-UHFFFAOYSA-N 315.329 1.137 50 40 DDGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccncc1 4826541 FIJWUERIJXMHQC-DEDYPNTBSA-N 310.357 1.546 50 40 DDGB CCCCOc1ccc(/C=C/C(=O)NNC(N)=S)cc1OC 62715654 SQYVISKHHFWKIH-SOFGYWHQSA-N 323.418 1.752 50 40 DDGB COCCCNC(=O)NN=C1CCN(C(=O)C(C)(C)C)CC1 64923083 VJZIBBMCQSKOSE-UHFFFAOYSA-N 312.414 1.347 50 40 DDGB C=CCN1C(=O)N=C(O)/C(=C(\CC)NNC(=O)CCCC)C1=O 9350311 VLJONCLGFCCJRS-BENRWUELSA-N 322.365 1.566 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2CNCC=C12 48995 UHNPDLQGSMYSLE-JKSUJKDBSA-N 301.353 1.700 50 40 DDGB O=C(C(Cl)Cl)N1CCN(C(=O)C(Cl)Cl)CC1 1672540 OSFGXXUNAJQXGH-UHFFFAOYSA-N 307.992 1.265 50 40 DDGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)C(=O)Nc1ccccc1 100922250 VOSBAGCVLKJOHU-YBFXNURJSA-N 318.377 1.422 50 40 DDGB N#C/C(=C\c1ccc(OCCO)cc1Br)C(N)=O 11284795 QGOJKVGJCIZWPW-WEVVVXLNSA-N 311.135 1.212 50 40 DDGB COCc1n[nH]c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 5075357 VTBZZXLFGBMVOP-GFCCVEGCSA-N 300.293 1.913 50 40 DDGB CCCCC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14185843 TXGPUCRQGMLKEW-UHFFFAOYSA-N 310.350 1.664 50 40 DDGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nn(CCO)c(N)c1C#N 408721068 JSDJNAMZBNSRHM-YRNVUSSQSA-N 324.300 1.302 50 40 DDGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccsc2)c1 31674304 FQTOQMWGZGDGFI-UHFFFAOYSA-N 324.383 1.226 50 40 DDGB C[C@@H](C(=O)NNC(=O)c1ccc(F)cc1)N1C[C@@H](C)O[C@H](C)C1 23624662 MQTAUJSXOJZCIC-UTUOFQBUSA-N 323.368 1.084 50 40 DDGB C/C(=N\NC(=O)c1ccn(C)n1)C1C(=O)c2ccccc2C1=O 101159665 SWASUISMUNWYCO-RQZCQDPDSA-N 310.313 1.221 50 40 DDGB CCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 10158896 WTMLYWYVHUYGSN-UHFFFAOYSA-N 302.334 1.529 50 40 DDGB COc1cccc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)c1 8970523 PDVFRINNCTUOJS-NSHDSACASA-N 317.370 1.252 50 40 DDGB CCO/N=[N+](\[O-])C/[N+]([O-])=N/OCCI 95471425 NFUMGTXKQTWUOL-XOHWUJONSA-N 318.071 1.187 50 40 DDGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)c1nc[nH]n1 5631284 USWVTNVKKSABEV-APSNUPSMSA-N 305.725 1.787 50 40 DDGB O=C(NN[C@@H]1CC(=O)N(Cc2ccccc2)C1=O)c1ccccc1 101128838 YUWYKRPWNSZYRS-OAHLLOKOSA-N 323.352 1.249 50 40 DDGB CSc1ccc(/C=N/NC(=O)CSc2nncn2C)cc1 523710 VVTDBRMKVBOAHS-VGOFMYFVSA-N 321.431 1.779 50 40 DDGB Cc1cc(C)nc(NNC(=O)c2cccc(C[S@@](C)=O)c2)n1 22235909 MFGINKXJNYYGOC-QFIPXVFZSA-N 318.402 1.729 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)C(=O)N(CC)CC)c1 59515447 IVAPHAONWJVPDY-SFQUDFHCSA-N 303.362 1.570 50 40 DDGB O=C(O[C@H]1CS(=O)(=O)C[C@@H]1Br)c1ccccc1 4158943 IMUBPUCHQXODOD-UWVGGRQHSA-N 319.176 1.404 50 40 DDGB CCC(NC(=O)NNC(N)=S)(C(F)(F)F)C(F)(F)F 13686696 HQPUBFWUNXGPNP-UHFFFAOYSA-N 312.239 1.307 50 40 DDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 69511214 QRLVOMTTXJUANC-CQSZACIVSA-N 323.352 1.501 50 40 DDGB NC(=O)N/N=C1\CC[C@H](OCc2ccccc2)C[C@H]1CC(=O)O 33849211 FXTAMIBWOKATPF-OMXZIVNTSA-N 319.361 1.871 50 40 DDGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@H]1c1ccc(O)cc1 5570086 KGRHWIGWTSSMDC-CWSCBRNRSA-N 324.262 1.664 50 40 DDGB COc1cccc(Nc2nnc(SCC(=O)NN)s2)c1 3236913 BGQOTBSZBFKNRZ-UHFFFAOYSA-N 311.392 1.372 50 40 DDGB CCOC(=O)N/N=C(\C)c1ccc(OCC(=O)N(C)C)cc1 7948442 UPWSYXVKXPWVOA-LFIBNONCSA-N 307.350 1.624 50 40 DDGB COc1cc2c(cc1/C=C(\C#N)C(=O)N1CCOCC1)OCO2 409063978 FLYFZYIHYHGGPD-WUXMJOGZSA-N 316.313 1.190 50 40 DDGB CC(C)(C)[C@@H](O)[C@H](I)S(C)(=O)=O 96519217 TZKRNUIHUDABLG-NTSWFWBYSA-N 306.165 1.199 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O 16694124 DQWSFVVSKSFUDG-POHAHGRESA-N 314.257 1.093 50 40 DDGB COc1ccnc(NNC(=O)c2cccc(C)c2[N+](=O)[O-])n1 40510821 LQQOFLPOFBBORE-UHFFFAOYSA-N 303.278 1.459 50 40 DDGB N#CC1=C(N)Oc2ccc(N)cc2[C@@]12C(=O)Nc1ccccc12 103454 HZYJGONCEATYCM-QGZVFWFLSA-N 304.309 1.593 50 40 DDGB Cc1cccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2)c1O 305988 UGUYFLHATTXFOJ-LBPRGKRZSA-N 314.341 1.929 50 40 DDGB O=C(NNC(=O)c1ccc(F)cc1)NOCc1ccccc1 32779720 CFYPDSCJDOTJFJ-UHFFFAOYSA-N 303.293 1.902 50 40 DDGB O=C1OC(=O)[C@]2(Br)[C@H]3C=C[C@H](C3)[C@@]12Br 104184000 GJFXBTXPLZPKBO-NFNBNWGISA-N 321.952 1.543 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 103109707 HFDRXHYBPKBCMY-LUAWRHEFSA-N 303.274 1.385 50 40 DDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccco1 28431123 NHJWKTRROOFVBY-LLVKDONJSA-N 313.313 1.094 50 40 DDGB CC(C)[C@H](O)CN1C=C(C#N)C(=O)N[C@@H]1NC1CCCCC1 20032743 BUPZYHLMZROZON-ZBFHGGJFSA-N 306.410 1.048 50 40 DDGB Cc1ccc(C(=O)N2C[C@H](C(=O)NN)Oc3ccccc32)cc1 225329738 LZOGARLPCIPCSR-OAHLLOKOSA-N 311.341 1.393 50 40 DDGB CC(C)(C)CC(=O)NNS(=O)(=O)c1cc(O)cc(F)c1 585141283 SQARGUVAHVYVQS-UHFFFAOYSA-N 304.343 1.277 50 40 DDGB CCOC(=O)c1c(N)sc(C(N)=O)c1CBr 17043774 MXWCBOWVXYCSLE-UHFFFAOYSA-N 307.169 1.501 50 40 DDGB CCOC(=O)CSc1nnc(NC(=O)CCCl)s1 4079376 ZLCNULJGYZEENS-UHFFFAOYSA-N 309.800 1.761 50 40 DDGB C[C@H](NC(=O)C(Cl)Cl)C(=O)N(CCCl)CCCl 1692520 MICNGJNDOFSIIE-LURJTMIESA-N 324.035 1.601 50 40 DDGB COCC1=C(C(=O)OC)[C@H](c2ccccc2)C(C#N)=C(N)O1 4476335 NXYMWLIXZXEJPR-CYBMUJFWSA-N 300.314 1.568 50 40 DDGB COc1ccc(C(=O)N/N=C/c2cc(OC)ccc2O)c(O)c1 116737494 AWWKRONMQOJVMH-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB Cn1nccc1C(=O)N/N=C/c1cccc(Br)c1 5669988 QEEYLCYEUNPCFW-RIYZIHGNSA-N 307.151 1.947 50 40 DDGB CN1C(=O)/C(=C(/C#N)C(=O)Nc2cccnc2)c2ccccc21 409110576 FDWHOMWHSAUFCV-SQFISAMPSA-N 304.309 1.974 50 40 DDGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)OC 408542996 MGWMWBPRCWUWHO-IZZDOVSWSA-N 320.370 1.830 50 40 DDGB CNS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 245241504 GRBFFHTYMNSFCY-UUTMEEIUSA-N 324.240 1.304 50 40 DDGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1ccc(Cl)cc1 6329302 XIRLXZDFLZENGN-QGMBQPNBSA-N 318.764 1.683 50 40 DDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC=CCC1 40457457 RUACITBKJYJNAZ-SMDDNHRTSA-N 302.330 1.330 50 40 DDGB C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccccn1 577811 UTVVHGTXJFTFLV-SNVBAGLBSA-N 319.748 1.964 50 40 DDGB CCOC(=O)C/C(C)=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 4543512 QSASZARGYYTOBC-XNTDXEJSSA-N 323.305 1.419 50 40 DDGB Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)C3CC3)c12 14290281 CYSXPXCVVVSPGF-UHFFFAOYSA-N 300.318 1.580 50 40 DDGB O=C(Cc1csc(-c2cccnc2)n1)NNC(=O)C1CC1 61046323 LUZLDBPAQJTNKD-UHFFFAOYSA-N 302.359 1.305 50 40 DDGB CCCCSC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167676 ULSVODCLFKAYGY-HTQZYQBOSA-N 301.886 1.799 50 40 DDGB O=C1NC(=O)[C@H](c2cccc(N(CCCl)CCCl)c2)N1 1762998 PWPKMTNHIIMLPD-NSHDSACASA-N 316.188 1.851 50 40 DDGB CN1CCN(c2ccc(/C=N/NC(=O)c3ccncc3)o2)CC1 366182 AOUAGUYUDZXPHF-LDADJPATSA-N 313.361 1.190 50 40 DDGB C[C@]1(NC(=O)OC[C@@H](Cl)CCl)CCS(=O)(=O)C1 59568574 ZAPHEALQIYEHME-CBAPKCEASA-N 304.195 1.136 50 40 DDGB NC(=O)N/N=C1/CC[C@@H](OCc2ccccc2)C[C@H]1CC(=O)O 104226196 FXTAMIBWOKATPF-YHCLADQKSA-N 319.361 1.871 50 40 DDGB CCOC(=O)NNS(=O)(=O)c1c(C)ccc2ncccc12 36397168 XRYWEXPSINJXCL-UHFFFAOYSA-N 309.347 1.483 50 40 DDGB O=C(NNC(=S)NCCCc1ccccc1)c1ccccn1 408587972 VIINICIAVHFHFR-UHFFFAOYSA-N 314.414 1.823 50 40 DDGB Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c1O 199701 VCTLWEDGURTCKE-UHFFFAOYSA-N 324.333 1.463 50 40 DDGB CCNC(=S)NNC(=O)CNc1cccc(C(F)(F)F)c1 4161697 OHSDMDYXFXQMQU-UHFFFAOYSA-N 320.340 1.633 50 40 DDGB O=C(CCn1ccc2ccccc21)NNC(=O)c1cccnc1 20900392 JAZYTUSONNXSPV-UHFFFAOYSA-N 308.341 1.888 50 40 DDGB COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(OC)cc1 57509208 UUMSJHOBCKTIME-GFCCVEGCSA-N 310.737 1.715 50 40 DDGB O=C(CNC(=O)c1cccnc1)N/N=C/c1c[nH]c2ccccc12 18192838 HLORTSAVONDPSW-UFFVCSGVSA-N 321.340 1.443 50 40 DDGB NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1ccccc1 187606 ZHGRZOWQGUSCBU-LVZFUZTISA-N 307.309 1.777 50 40 DDGB CCCCCC(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O 100985268 LAUAUJWQCDDPSF-CYBMUJFWSA-N 303.362 1.520 50 40 DDGB CCOC(=O)NNC(=O)c1[nH]nc(C2CC2)c1Br 49168395 KQLSAFPIWKDWIM-UHFFFAOYSA-N 317.143 1.441 50 40 DDGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1cnccn1 6507556 IXSRTRXCUVLUMI-UHFFFAOYSA-N 307.313 1.342 50 40 DDGB COc1ccccc1/C=N/NC(=O)C(=O)NC1CCCCCC1 409007152 TZVZZZZSKSVSCL-LDADJPATSA-N 317.389 1.984 50 40 DDGB Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)s1 5975264 HNYALICOXLNYCO-UHFFFAOYSA-N 308.315 1.268 50 40 DDGB N#CC1=C(O)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccc(F)cc1 4550985 DPZRRQFHMFMHPZ-LSDHHAIUSA-O 310.308 1.861 50 40 DDGB C[C@@H](NS(=O)(=O)c1cccc(C(=O)NN)c1)c1ccccc1 225499673 SVPGSEJHQPQBOU-LLVKDONJSA-N 319.386 1.330 50 40 DDGB Cc1ccsc1/C=N/NC(=O)C(=O)NCc1ccccc1 59435537 JMYLFWFHNTWJMD-LICLKQGHSA-N 301.371 1.823 50 40 DDGB C[C@@H](NNC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 3124211 BUAKUIUDOGPUGT-LLVKDONJSA-N 308.341 1.919 50 40 DDGB NC(=O)N/N=C/c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 16429562 QHVJKNBOIXOABD-VGOFMYFVSA-N 309.303 1.196 50 40 DDGB NNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4170882 BBOIQLJMHNAMRL-OAHLLOKOSA-N 313.357 1.514 50 40 DDGB O=C(Cc1cccs1)NNC(=S)NC(=O)c1ccccc1 4950564 MQXGTZFMBFROJT-UHFFFAOYSA-N 319.411 1.626 50 40 DDGB C/C(=N\NC(=O)[C@H]1C=NNC1=O)c1ccc(Cl)cc1Cl 100948827 IURJSGAATNRKMK-SWEBQMAJSA-N 313.144 1.565 50 40 DDGB COc1cc(NC(=O)NNC(=O)c2ccncc2)cc(OC)c1 35623040 SXFGCJKSPASACX-UHFFFAOYSA-N 316.317 1.565 50 40 DDGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 15224842 XSLKRBZFSSGHGQ-XFFZJAGNSA-N 303.274 1.066 50 40 DDGB CCOC(=O)NNS(=O)(=O)c1c(C)c(C)cc(C)c1C 16129857 QNULWMWGQCKEIC-UHFFFAOYSA-N 300.380 1.860 50 40 DDGB COC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1 8733208 ZXOSQYDCDFCUSO-SECBINFHSA-N 312.753 1.545 50 40 DDGB CC(=O)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59679003 TXEBAQVJXHTDMJ-NTUHNPAUSA-N 316.155 1.349 50 40 DDGB COCC(=O)N/N=C(\C)CC(=O)Nc1cccc([N+](=O)[O-])c1 100923036 CWBAJVJHHWGGKB-OQLLNIDSSA-N 308.294 1.062 50 40 DDGB Cc1cccc(NC(=S)NNC(=O)CCn2cc(C)cn2)c1 13470883 XZZJUOFEWOMQJO-UHFFFAOYSA-N 317.418 1.908 50 40 DDGB CN(c1ccsc1C(=O)NN)S(=O)(=O)c1ccccc1 67172506 GUHVBYDZJJIUDF-UHFFFAOYSA-N 311.388 1.177 50 40 DDGB O=C(C[C@@H]1C=CCC1)NNC(=O)[C@@H]1COc2ccccc2O1 21191210 ZRNBNNOTTUMAMD-RISCZKNCSA-N 302.330 1.330 50 40 DDGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1cccnc1 4863539 JWKYTHBBCOSUEX-GIJQJNRQSA-N 311.267 1.837 50 40 DDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccc(O)cc1 409066463 OUESBZISCMOCGW-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc[nH]n1 5387438 YHKIZUGNSFLZRL-MKMNVTDBSA-N 309.123 1.642 50 40 DDGB Cc1nc(N)sc1C(=O)N/N=C/c1ccc2c(c1)OCO2 6266024 IBXZDJMIJIWIAQ-PJQLUOCWSA-N 304.331 1.526 50 40 DDGB O=C(Cc1ccccc1)NNC(=O)c1cnc2ccccc2n1 14066986 VHQFJWOLDDSFLC-UHFFFAOYSA-N 306.325 1.634 50 40 DDGB COc1ccc(OC)c(/C=N\NC(=O)c2ccc(=O)n(C)c2)c1 33301650 ZGIMPNZNMBBIEI-MFOYZWKCSA-N 315.329 1.166 50 40 DDGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc([N+](=O)[O-])c1O 40868957 QSJTTXBWQBZXQU-WMZJFQQLSA-N 305.290 1.741 50 40 DDGB IC[C@H]1CN=C(Nc2ncccn2)S1 27888 VMTMLQWUPRZGDP-LURJTMIESA-N 320.159 1.795 50 40 DDGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1c(O)ccc2ccccc12 263967 IUICUMOPZWCBCJ-RQZCQDPDSA-N 310.313 1.667 50 40 DDGB COC(=O)NNC(=O)COc1ccc(Br)cc1C 2135182 GKAYTFBMAWSWAY-UHFFFAOYSA-N 317.139 1.524 50 40 DDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccnc1 2266604 FPBVKSCONITDFD-DJKKODMXSA-N 300.293 1.101 50 40 DDGB O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C1CC1 1441564 MRPYPMUXCGIPLE-LLVKDONJSA-N 307.737 1.003 50 40 DDGB COCC1=C(C(=O)OC)[C@@H](c2cccs2)C(C#N)=C(N)O1 4474175 UHRVXMHJGLVNSP-LLVKDONJSA-N 306.343 1.629 50 40 DDGB O=C(NCCCl)NCc1nnnn1-c1ccc(Cl)cc1 12180692 OGLBNBPCZNRVAF-UHFFFAOYSA-N 315.164 1.354 50 40 DDGB Cc1ccc(OCC(=O)N/N=C/c2cccn2C)c([N+](=O)[O-])c1 238152 PTQCZJNAWVVTNC-CXUHLZMHSA-N 316.317 1.771 50 40 DDGB CC(=O)C1=C(C)N(C)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517034 NYYWPMYESXYVAL-KRWDZBQOSA-N 309.325 1.346 50 40 DDGB CCn1nc(C)c(NC(=O)CBr)c1C(=O)OC 72220850 VJYBXCQWICFUMU-UHFFFAOYSA-N 304.144 1.331 50 40 DDGB CCOC(=O)[C@H](C)/C(C)=N/NC(=O)Cc1ccc(OC)cc1 12572737 NVUHPBLWVSCVBK-ZWLCBZGVSA-N 306.362 1.929 50 40 DDGB CCOC(=O)[C@H]1CCCC[C@]12C(C#N)=C(N)Oc1[nH]nc(C)c12 6530376 NSKNVWQOQRRIFW-QLJPJBMISA-N 316.361 1.796 50 40 DDGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(Cl)cc1 59459632 HRNQBVSGKLNOBH-LICLKQGHSA-N 311.769 1.333 50 40 DDGB CCC[C@@H]1[C@@H]2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N 20000831 WYNSZOSOXLKGEO-HUUCEWRRSA-N 309.373 1.591 50 40 DDGB Cc1ccc(OCCC(=O)NNC(=O)c2cccnc2)c(C)c1 40068971 JOMAQCAMLDEMMG-UHFFFAOYSA-N 313.357 1.929 50 40 DDGB Cc1cccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1 40177584 HOPBKRDOUBWLIO-GFCCVEGCSA-N 301.795 1.754 50 40 DDGB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Cl)c2)C1=O 11847781 GORYSOCELUFICM-UHFFFAOYSA-N 301.751 1.768 50 40 DDGB CCO[Si](CCCN1C[C@H]1C(=O)OC)(OCC)OCC 207100680 BDUJZVMOZLQWNL-NBFOIZRFSA-N 305.447 1.282 50 40 DDGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(C)C1=C2CC=CC1 33365 HRGQJPSZCNQZAE-QGZVFWFLSA-N 311.341 1.636 50 40 DDGB COc1ccccc1OCC(=O)N/N=C(\C)CC(=O)NC(C)C 4523547 HLVMHOIIIYQIIC-LDADJPATSA-N 321.377 1.481 50 40 DDGB Cc1cccc(OCCC(=O)NNC(=O)c2cccnc2)c1C 31551558 ZLLWPJFICKIGEX-UHFFFAOYSA-N 313.357 1.929 50 40 DDGB CS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519006 ZZEHSEYWPUUZSI-IUCAKERBSA-N 324.152 1.394 50 40 DDGB COc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 12421665 GNTMLZKSEZRNOH-WDEREUQCSA-N 318.782 1.221 50 40 DDGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cnccn1 2573569 JQEGKDKREKIIIW-UHFFFAOYSA-N 321.680 1.113 50 40 DDGB O=C(CC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1 100921459 LOGXAOIYYZTFSP-UHFFFAOYSA-N 310.309 1.290 50 40 DDGB COc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)c(OC)c1 59515314 YXWPEZUXLCQDJS-VCHYOVAHSA-N 321.377 1.316 50 40 DDGB CC(=O)Oc1ccc(/C=C(\C#N)C(N)=O)cc1Br 408756025 QKSSCRMLXXRPBW-RUDMXATFSA-N 309.119 1.767 50 40 DDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(C(C)(C)C)cc1 28616191 ZZWWBQUOSWHQEC-UNOMPAQXSA-N 319.405 1.587 50 40 DDGB Nc1cccnc1N[P@@](=O)(O)N(CCCl)CCCl 18066594 VBOSSJCYEPJURJ-UHFFFAOYSA-N 313.125 1.956 50 40 DDGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(C)CC2)cc1 20573237 LOFRTXIKNAEFTL-NTCAYCPXSA-N 305.403 1.381 50 40 DDGB O=C(N/N=C/c1cccnc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2896022 QTJJUDJTOICKJM-OVCLIPMQSA-N 315.245 1.662 50 40 DDGB O=C(Nc1ccccc1Cl)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 106002583 KXEGXSPGGVXHSP-WPRPVWTQSA-N 323.201 1.866 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1 3178554 PZMVVHGAUWRERH-VCHYOVAHSA-N 315.304 1.923 50 40 DDGB CC(=O)NCCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5788336 JJTBTGYAGOZRDE-UHFFFAOYSA-N 321.421 1.267 50 40 DDGB CC(C)Cc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)[nH]n1 78544265 BNWHISSDFQNOSA-UHFFFAOYSA-N 318.352 1.751 50 40 DDGB O=C(Cl)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958700 OXUZWGJDENVQGE-SECBINFHSA-N 311.725 1.621 50 40 DDGB Cc1cc(/C=C(/C#N)c2nc(N)nc(N(C)C)n2)cc(C)c1O 48325139 UESRWCOIWQXLFZ-GHXNOFRVSA-N 310.361 1.906 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1OC(C)=O 231226 GIKWAXDJWQCCPV-CXUHLZMHSA-N 302.286 1.977 50 40 DDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1Cl 5480134 LXDXJGBVVARQFI-OVCLIPMQSA-N 322.712 1.646 50 40 DDGB CCOC(=O)NP(=O)(NC(=O)OCC)NC(=O)OCC 100342530 PLKLDTNHRCTQAO-UHFFFAOYSA-N 311.231 1.333 50 40 DDGB CCCc1n[nH]c(=S)n1CC(=O)NNc1nc(C)cc(C)n1 22235242 KUKGHHUBCPISPK-UHFFFAOYSA-N 321.410 1.443 50 40 DDGB COc1ccc2nc(SCC(=O)/C(C#N)=C(/C)N)[nH]c2c1 104373099 RRGDTHPRTXYCDA-NTMALXAHSA-N 302.359 1.989 50 40 DDGB Cn1cnnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1 6017129 ZOCWCLLQNNCACE-UHFFFAOYSA-N 312.358 1.749 50 40 DDGB N#CC1=C(N)Oc2ncnc(O)c2[C@@H]1c1ccnc2ccccc12 18200931 HDYAKNYCCNKLLK-CYBMUJFWSA-N 317.308 1.949 50 40 DDGB C/C(=N\NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(O)cc1 13655689 FIXSCXTUAKXVIM-OQLLNIDSSA-N 303.278 1.037 50 40 DDGB CCc1ccc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)cc1 16161973 MRMRGRIFDZRPCB-UHFFFAOYSA-N 322.368 1.825 50 40 DDGB CCOc1cnc(C(=O)NNC(=O)c2ccccc2Cl)o1 4070637 NBOLUTPDOXWDHV-UHFFFAOYSA-N 309.709 1.802 50 40 DDGB Cc1ccc(/C=C/C(=O)NNC(=S)NC[C@@H]2CCCO2)o1 2617918 GDIGCKUWGZQAND-SYTKJHMZSA-N 309.391 1.276 50 40 DDGB NNC(=O)[C@H]1CCCn2c1nc1sc3c(c1c2=O)CCCC3 497488 UOFPVTXERSGSPS-VIFPVBQESA-N 318.402 1.204 50 40 DDGB C/C(=N\NC(=O)CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 59463233 UDLPAYOLKWNMRR-XNTDXEJSSA-N 307.306 1.588 50 40 DDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@@H]2C1 13116308 PZGOPBIQVXKEIF-HZPDHXFCSA-N 316.368 1.437 50 40 DDGB O=C(NNC(=S)NC[C@H]1CCCO1)NC1CCCCC1 9189547 NSMLKVPGMKKXOA-LLVKDONJSA-N 300.428 1.176 50 40 DDGB Cc1ccccc1C(=O)NNS(=O)(=O)c1c(C)noc1C 7404243 SSWFLEKAIAJXSP-UHFFFAOYSA-N 309.347 1.223 50 40 DDGB CC[C@@H](NCC(=O)NNC(=O)c1ccco1)c1c(C)noc1C 97111151 OXYAIPKEWXLKPT-LLVKDONJSA-N 320.349 1.386 50 40 DDGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OC)c1 6441100 DMVCZPOVNKWLLV-UKTHLTGXSA-N 315.329 1.267 50 40 DDGB CC(=O)Nc1cccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)c1 104655573 JIFPKFCOESGGIW-LCYFTJDESA-N 301.302 1.127 50 40 DDGB Cc1cc(C(=O)NNC(=O)CCc2c(C)noc2C)c(C)o1 7526096 CHHJOEIETFLFHK-UHFFFAOYSA-N 305.334 1.895 50 40 DDGB Cc1cc(=O)c2cc(Br)ccc2n1CC(=O)NN 40175607 FKOJAAHFWXFAPN-UHFFFAOYSA-N 310.151 1.062 50 40 DDGB C=CCn1c(Cl)c(/C=N/NC(=O)c2ccncc2)sc1=O 10386452 ZZYFLNASENBSSB-LZYBPNLTSA-N 322.777 1.908 50 40 DDGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)cn1 103637 FTMJZXQOJPGXTI-GIJQJNRQSA-N 313.313 1.617 50 40 DDGB CCn1c(=O)c(C)nc2cc(C(=O)NNC(=O)C(C)C)ccc21 21903809 VGDJPRIWPXDZMN-UHFFFAOYSA-N 316.361 1.142 50 40 DDGB COCCNC(=O)CC(=O)N/N=C\c1ccc(SC)cc1 408978634 JLZIHEPCJUKGCG-YBEGLDIGSA-N 309.391 1.011 50 40 DDGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(O)c(O)c2)c1 8339585 JHZADDSLKCHIEM-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB Cn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=O)c2ccccc21 2291282 YKTWFJMDMKAXHS-VXLYETTFSA-N 322.324 1.403 50 40 DDGB NC(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 4550362 FZTSNFYVDPQWLE-MHWRWJLKSA-N 319.342 1.457 50 40 DDGB Cn1c(-c2ccccc2)c(/C=N/NC(=O)C(N)=O)c2ccccc21 5294660 BDSBAHWCJCYJLA-RGVLZGJSSA-N 320.352 1.781 50 40 DDGB CC(=O)N[C@@H](CSc1cc(C)nc2ccccc12)C(=O)NN 5516472 YKDNHKZQCFKKJQ-ZDUSSCGKSA-N 318.402 1.130 50 40 DDGB Cc1nc(Sc2ccc(/C=N/NC(N)=O)cc2[N+](=O)[O-])n[nH]1 409191706 LDPFGTHJGJXZOH-WLRTZDKTSA-N 321.322 1.175 50 40 DDGB O=C(CCl)N(CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 5773116 LIPIBGYEODZBFF-ZDUSSCGKSA-N 315.822 1.484 50 40 DDGB COc1ccc(OC)c(/C=N\NC(=O)c2sc(N)nc2C)c1 12372710 QQQYLUWQUDOTPY-APSNUPSMSA-N 320.374 1.815 50 40 DDGB COc1ccc(NCC(=O)N/N=C/c2ccc(O)cc2O)cc1 244285 KYAVOCZVZJHOQW-GIJQJNRQSA-N 315.329 1.669 50 40 DDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1 2697892 ZUWKPMFRBBUTSF-HNNXBMFYSA-N 314.341 1.958 50 40 DDGB Cc1cccc(C(=O)NNC(=S)NC(=O)c2ccccc2)c1 2135477 LSMGDGVWGIZQQX-UHFFFAOYSA-N 313.382 1.944 50 40 DDGB CCNC(=S)NNC(=O)c1cc(Br)cs1 8684289 GCHIXIMBTIFWGP-UHFFFAOYSA-N 308.226 1.639 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)on1 8938621 NDSVFICRKRMJOP-LBPRGKRZSA-N 317.345 1.828 50 40 DDGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1O)C(=O)NC[C@@H]1CCCO1 66341520 AELPLYAOUAHIGJ-GXJZLWQJSA-N 317.301 1.503 50 40 DDGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(OC)c1OC 50285 IATCZYSHMSZKIO-GIJQJNRQSA-N 315.329 1.871 50 40 DDGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccsc1 8123622 LFXYDMLSNDWXCT-UHFFFAOYSA-N 314.164 1.914 50 40 DDGB COc1ccc(OCC(=O)N/N=C2/CN3CCC2CC3)cc1 89453755 XXNRNHIDLDXDDJ-ICFOKQHNSA-N 303.362 1.272 50 40 DDGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)cc1 100118418 QQSKAYCBUWFQRI-HNNXBMFYSA-N 323.352 1.562 50 40 DDGB O=C(CC[C@@H]1CCCO1)NNC(=O)c1ccc2c(c1)OCO2 44911710 DBKXZQMYRMQZAJ-NSHDSACASA-N 306.318 1.136 50 40 DDGB O=C(CNC(=O)c1ccccc1F)N/N=C\c1cccs1 15979609 PGMORYFIUJTODX-IUXPMGMMSA-N 305.334 1.767 50 40 DDGB O=C(/C=C/c1ccc([N+](=O)[O-])o1)NNC(=O)c1ccc(F)cc1 370533 HXOOESROJHMMSY-FNORWQNLSA-N 319.248 1.801 50 40 DDGB COc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1 325266 LEYWHFZSQOQYNJ-UHFFFAOYSA-N 312.372 1.380 50 40 DDGB CCOc1ccc(C(=O)NNC(=O)c2cccnc2O)cc1 12985671 UJVWGLGFJUUCSE-UHFFFAOYSA-N 301.302 1.261 50 40 DDGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1 408804202 DCIWJJMHSNVRKL-ZTFCMROMSA-N 302.330 1.972 50 40 DDGB CC1(C)Oc2ccc(C(=O)N/N=C/c3ccncc3)cc2NC1=O 35291260 OXKKVFLNPJKMNP-VXLYETTFSA-N 324.340 1.955 50 40 DDGB CCNC(=O)NC1(C(=O)NNC(=O)c2ccccc2)CCCC1 40556342 CIDWSOFAGGLVBA-UHFFFAOYSA-N 318.377 1.080 50 40 DDGB NC(=O)NN(c1ccccc1)[C@@H]1OC(=O)C(Cl)=C1Cl 3171957 YBHRGAQUVGWPNJ-SECBINFHSA-N 302.117 1.648 50 40 DDGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccco1 7783853 DTXAKWRKUYDWKZ-RQZCQDPDSA-N 305.721 1.700 50 40 DDGB COC(=O)c1ccccc1NC(=O)C/C(C)=N/NC(=O)CC#N 100277929 WVUBWUAVVPPVFD-VCHYOVAHSA-N 316.317 1.208 50 40 DDGB CC(C)CC(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 3204889 OVYLPISKIWBCQD-UHFFFAOYSA-N 324.362 1.276 50 40 DDGB NC(=S)N/N=C1/C(=O)N(CCCl)c2ccc(Cl)cc21 13570979 CRPAFVOGKLNZQD-OQLLNIDSSA-N 317.201 1.463 50 40 DDGB CNC(=S)NNC(=O)COc1ccc2ccccc2c1C 4723712 UOAUDLDNRRNLCX-UHFFFAOYSA-N 303.387 1.652 50 40 DDGB O=C(NNC(=O)[C@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1 9914087 FGXPROYOQGJKAG-CYBMUJFWSA-N 300.318 1.017 50 40 DDGB C=CCN(C(C)=O)C(=O)N(NC(=O)c1ccccc1)C(C)=O 98007388 KSZHKEVXPUXTCM-UHFFFAOYSA-N 303.318 1.334 50 40 DDGB CCS(=O)(=O)[C@@H](I)[C@@H](O)C(C)(C)C 96519299 ZGZNKALQWQOLOM-RNFRBKRXSA-N 320.192 1.589 50 40 DDGB CCO[Si](CCCN1C[C@@H]1C(=O)OC)(OCC)OCC 207100634 BDUJZVMOZLQWNL-PUODRLBUSA-N 305.447 1.282 50 40 DDGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CSc1ncccn1 5459812 AAAFDHRDUOUUQT-SIPGVVJPSA-N 322.390 1.404 50 40 DDGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(O)c(Cl)c2)n1 58230415 GOTHWGDOFSKUEL-UITAMQMPSA-N 316.752 1.943 50 40 DDGB COCCNC(=S)NNC(=O)c1cccc(-n2cccc2)c1 408585816 JSDLRFCHRJWWEA-UHFFFAOYSA-N 318.402 1.233 50 40 DDGB Cc1noc(C)c1C(=O)NNC(=O)c1cccc(N(C)C)c1 17250012 SFOMSJRGYCNXHT-UHFFFAOYSA-N 302.334 1.432 50 40 DDGB CC(C)(C)OC(=O)N1C[C@H](C(=O)NN)C[C@H]1c1ccccc1 90613036 OGXXQNCHURBYLX-OLZOCXBDSA-N 305.378 1.975 50 40 DDGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(N2CCOCC2)cc1 802607 OWTKUVODKZSLKF-NTEUORMPSA-N 305.341 1.690 50 40 DDGB O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Cl)ccc1O 8220062 FIYNAIZXEHUBJR-REZTVBANSA-N 321.720 1.405 50 40 DDGB COc1ccc(/C=N/NC(=O)c2sc(N)nc2C)cc1OC 140688 RJMDFNRIJLNRDQ-FRKPEAEDSA-N 320.374 1.815 50 40 DDGB O=C(Cn1cnc2ccccc21)NN=Cc1ccccc1C(=O)O 245232355 TYXKUVCGPNEMGE-UHFFFAOYSA-N 322.324 1.885 50 40 DDGB COc1ccccc1C(=O)NNC(=O)c1ccccc1C(=O)O 321602 SUEDQYFXWNJLMU-UHFFFAOYSA-N 314.297 1.468 50 40 DDGB O=C(Cn1cncn1)NN=C1c2ccccc2-c2ccccc21 3196443 DMTBTIBHVOYOAS-UHFFFAOYSA-N 303.325 1.827 50 40 DDGB CCC(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 4698971 ZJQXHHXZZHTXAD-UHFFFAOYSA-N 323.418 1.621 50 40 DDGB Cn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 408917783 BAOCQKJIFNVJAJ-LICLKQGHSA-N 301.346 1.782 50 40 DDGB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1[C@@H](C)SC#N 31769099 NMOHAMWFNUPQOK-SECBINFHSA-N 310.375 1.703 50 40 DDGB CC(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 409013692 DBADSGVYBMYIDQ-WLRTZDKTSA-N 315.123 1.383 50 40 DDGB CC(C)(O)C(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O 32578412 MESUOEYXEGGWFT-OMCISZLKSA-N 308.721 1.667 50 40 DDGB O=C(/C=C\CBr)N[C@@H](Cc1ccccc1)C(=O)O 5014702 PHIWAOXBFWSAIB-IBHLPDHGSA-N 312.163 1.750 50 40 DDGB Cc1c(NC(C#N)=C(C#N)C#N)c(=O)n(-c2ccccc2)n1C 2549885 GHVSWHXJFOYOMJ-UHFFFAOYSA-N 304.313 1.721 50 40 DDGB N#CC1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc(F)cc1 3073388 HFJUEOIBLPJEBS-SECBINFHSA-N 316.317 1.790 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1Br 104738520 DBIBEQWUXXIDNE-NTMALXAHSA-N 323.146 1.931 50 40 DDGB CC(C)NC(=O)CC(=O)N/N=C\c1c(O)ccc2ccccc12 66326072 HYJZFMRLAGNGHD-ZDLGFXPLSA-N 313.357 1.910 50 40 DDGB CCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1OC 408727535 FIXMQMWGSODRNQ-GZTJUZNOSA-N 322.361 1.697 50 40 DDGB COc1cc(C)c(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 408548166 DNJDSMYCBVMXDK-ZROIWOOFSA-N 316.357 1.778 50 40 DDGB C/C(=N\NC(=O)C[n+]1ccccc1)c1nc2ccccc2nc1C 16265069 IXGGQVLABCJING-UHFFFAOYSA-O 320.376 1.766 50 40 DDGB COCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993695 SVMVEOVICKEWQI-UHFFFAOYSA-N 306.274 1.711 50 40 DDGB Cc1nn([C@H](C)C(=O)N/N=C/c2cccnc2)c(C)c1[N+](=O)[O-] 545431 MICRIZLBOZCSLS-FNQVVVRFSA-N 316.321 1.514 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)CC(=O)NCC(C)C)c1 59515315 IMAOWJYFXVJXTR-VCHYOVAHSA-N 321.377 1.316 50 40 DDGB CC(C)=NNC(=O)c1cc(C(=O)NN=C(C)C)cc([N+](=O)[O-])c1 5495224 ILBGWSQFBVKWEL-UHFFFAOYSA-N 319.321 1.846 50 40 DDGB N=C(CCl)NCCC[C](NC(=O)c1ccccc1)C(N)=O 1560403780 ZGSXDPIEUCVVJH-UHFFFAOYSA-N 309.777 1.020 50 40 DDGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)OC3)cc1OC 5918327 BQJSFFYUNFGLTE-CYBMUJFWSA-N 314.297 1.322 50 40 DDGB CCC1(CC)[C@@H](O)NC(Br)=C(C#N)C1(C#N)C#N 19933576 XEVCKRIILARIFP-SNVBAGLBSA-N 309.167 1.878 50 40 DDGB O=C(/C=C/c1ccco1)NNC(=O)c1ccc([N+](=O)[O-])cc1 70540 NNTFJMRMMMWWMY-BQYQJAHWSA-N 301.258 1.662 50 40 DDGB COC(=O)c1ccc(/C=N/NC(=O)c2sc(N)nc2C)cc1 144847 LMGAZMKEOXXNFF-FRKPEAEDSA-N 318.358 1.584 50 40 DDGB O=C(N/N=C/c1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1O 225903 HYEGUZZXSOCIHN-VIZOYTHASA-N 317.257 1.476 50 40 DDGB C[C@H](CCc1ccco1)NC(=O)NNC(=O)c1cccnc1 32779698 NYKOJZOZOXPTGN-LLVKDONJSA-N 302.334 1.640 50 40 DDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccco1 28431125 NHJWKTRROOFVBY-NSHDSACASA-N 313.313 1.094 50 40 DDGB C=C1CC(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1 408730389 QJWNMRHOJZQQNA-VIZOYTHASA-N 305.290 1.725 50 40 DDGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN)cc2)cc1 95116915 ZGVDKNMRVFDJMD-UHFFFAOYSA-N 319.386 1.424 50 40 DDGB CCn1c(C)nc2cc(C(=O)NNC(=O)NC3CC3)ccc21 29657503 WKHZYVVGNLMLJS-UHFFFAOYSA-N 301.350 1.471 50 40 DDGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 4699065 UTXURTYVSQJJED-REZTVBANSA-N 301.268 1.680 50 40 DDGB COc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1OC 13983058 AEBWXZFCXPJOFH-UHFFFAOYSA-N 321.377 1.981 50 40 DDGB CS(=O)(=O)[C@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1 96517831 QEUCQNFRCDVRFZ-VIFPVBQESA-N 322.136 1.543 50 40 DDGB COc1cccc(/C=N/NC(=O)CC(=O)NCC(C)C)c1O 3168410 JHLZLOCFVGFIAI-RQZCQDPDSA-N 307.350 1.013 50 40 DDGB N#C/C(=C\C1C(=O)NC(=O)NC1=O)c1nc2ccccc2s1 5605061 MOPMDSYNIHKDKT-FNORWQNLSA-N 312.310 1.185 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)COc1ccc(Cl)c(C)c1 103086269 QIPAGDHGFKBFTA-BENRWUELSA-N 322.748 1.896 50 40 DDGB Cc1cc(C)nc(NNC(=O)Cc2ccccc2[N+](=O)[O-])n1 11334083 JUAYPSLYYZCWSR-UHFFFAOYSA-N 301.306 1.687 50 40 DDGB O=C(CI)CI 4792316 OKARNAREDZHGLR-UHFFFAOYSA-N 309.872 1.426 50 40 DDGB in-vitro O=C(Nc1ccc(Cl)cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2260534 LQWIYCFLTIBLQT-VHSXEESVSA-N 323.201 1.866 50 40 DDGB CCOC(=O)NNC(=O)c1cc(OC)ccc1Br 21770492 JQNKQSKHOVEBCH-UHFFFAOYSA-N 317.139 1.849 50 40 DDGB O=C(NNC(=S)NC[C@@H]1CCCO1)NC1CCCCC1 9189546 NSMLKVPGMKKXOA-NSHDSACASA-N 300.428 1.176 50 40 DDGB C=CCN1C(=O)/C(=N/NC(=O)c2cc(C)n[nH]2)c2ccccc21 18286215 UWPXHRDYSKPQQT-XMHGGMMESA-N 309.329 1.385 50 40 DDGB N#Cc1cc2c(nc1N1CCN(C(=O)CCl)CC1)CCCC2 19702415 KKLSYFAVHHDVOX-UHFFFAOYSA-N 318.808 1.719 50 40 DDGB CC(C)=NNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 408773496 LCRHSVQUYBLIDE-UHFFFAOYSA-N 311.407 1.581 50 40 DDGB CC(=O)N/N=C/c1cc(C(C)(C)C)cc(/C=N/NC(C)=O)c1O 351543 VDYSZTPFNWFJRJ-YPOGWSRFSA-N 318.377 1.630 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccccc1C(=O)O 16693966 AWOOYUOTGSXDTN-WQLSENKSSA-N 311.297 1.519 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2cccc(O)c2)cc1 6970278 WVIJPVRZIXPMGH-UHFFFAOYSA-N 300.314 1.405 50 40 DDGB O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1cccc(Cl)c1 2784308 PTBDTUCFUPUOGZ-VXGBXAGGSA-N 322.748 1.768 50 40 DDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1 2211960 XMCJBMMHBWNCCF-OAHLLOKOSA-N 323.352 1.921 50 40 DDGB C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 5045019 QONWGSLPQWSKLN-OAHLLOKOSA-N 306.325 1.948 50 40 DDGB Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cccnc1 4995633 KPPXKEDAJBGRNP-UHFFFAOYSA-N 314.370 1.339 50 40 DDGB NNC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1cccs1 32594582 VJJIYKWVNZLJBP-CAHLUQPWSA-N 313.429 1.342 50 40 DDGB NNC(=O)c1cn(-c2c3ccccc3nc3ccccc23)nn1 218797976 NIONAGMDYMBZFV-UHFFFAOYSA-N 304.313 1.572 50 40 DDGB O=C(NNC(=O)c1cccc(Br)c1)c1ccncc1 569098 DOZIIPUXBYAUTL-UHFFFAOYSA-N 320.146 1.919 50 40 DDGB CC(C)NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 6827422 XEGXIBCICUUUTC-XCVCLJGOSA-N 303.274 1.755 50 40 DDGB CC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 23198525 LXPCZDBYHZMYGH-UHFFFAOYSA-N 316.336 1.671 50 40 DDGB Cc1cccc(CN2CCCC[C@H]2C(=O)NNC(=O)C2CC2)c1 69669505 ADVYEJDSQWGGGU-INIZCTEOSA-N 315.417 1.907 50 40 DDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O 4702562 ZLFUPGPCKIMXIY-LZYBPNLTSA-N 316.273 1.468 50 40 DDGB COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1C(=O)Cl 45957528 ZYJVJZTXTQNYDV-UHFFFAOYSA-N 300.698 1.819 50 40 DDGB O=C(CSc1ccccc1)NNC(=O)c1ccccc1O 7814905 RCDPALVMTDTXFX-UHFFFAOYSA-N 302.355 1.946 50 40 DDGB CCOc1ccccc1/C=N/NC(=O)CC(=O)NCCCOC 4867104 LSSDTYWBBVRYFW-LDADJPATSA-N 321.377 1.078 50 40 DDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccco2)[C@@H](C(=O)O)C1 2797375 PYAKEYKQNOLTRK-MNOVXSKESA-N 306.318 1.488 50 40 DDGB Cc1cc(C)nc(NNC(=O)c2cc3ccccc3oc2=O)n1 14512145 MPCGZVRFVNAGBS-UHFFFAOYSA-N 310.313 1.957 50 40 DDGB C[C@@]1(C(=O)NNC(=O)c2ccccc2O)CC1(Cl)Cl 21901459 MVMHSXMNRLLJGX-NSHDSACASA-N 303.145 1.737 50 40 DDGB CN1C(=O)/C(=N/NC(=O)C(=O)c2ccccc2O)c2ccccc21 4548744 NYZVTJSBROLJKV-NBVRZTHBSA-N 323.308 1.072 50 40 DDGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccco2)cc1 14920952 CSXHSCLJVQXFDA-WOJGMQOQSA-N 315.329 1.558 50 40 DDGB O=C(CCl)N(c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 40177610 VDWBLBFKXZHDAH-LLVKDONJSA-N 305.758 1.585 50 40 DDGB O=C(N/N=C/c1c(Cl)nc2sccn12)c1cnccn1 3194338 LMEXEFIJVIHAHX-GIDUJCDVSA-N 306.738 1.603 50 40 DDGB COc1ccc(Cl)cc1C(=O)OCC(=O)/C(C#N)=C(\C)N 4406593 GZQFZOWRDUFIGH-DHZHZOJOSA-N 308.721 1.831 50 40 DDGB O=C(C[n+]1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 2705283 LJYZPDZQPZMMLS-CXUHLZMHSA-O 319.728 1.686 50 40 DDGB O=[P@@](OCCCO)(N(CCCl)CCCl)N1CC1 2027778 LAERWFDIFOJTTO-QGZVFWFLSA-N 305.142 1.589 50 40 DDGB COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1O 59472655 NJXSCDFUXPRADC-UHFFFAOYSA-N 311.297 1.487 50 40 DDGB N[C@H](Cc1ccccc1)C(=O)NNC(=O)OCc1ccccc1 104847907 FFSBBJDYCHMIDM-OAHLLOKOSA-N 313.357 1.514 50 40 DDGB CC(C)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 9883140 GNAMHCIRLVECET-UHFFFAOYSA-N 318.421 1.002 50 40 DDGB N#CC(C#N)=CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 55010795 LFGIWOFUMVJBIR-OAHLLOKOSA-N 309.373 1.409 50 40 DDGB Cc1ccc(C(=O)NNC(=O)c2ccncc2)cc1[N+](=O)[O-] 4492552 JVEKHNBXUUNWBI-UHFFFAOYSA-N 300.274 1.373 50 40 DDGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(Cl)cc1 7782147 IKJMHADEUICEQM-OPFCKLNOSA-N 309.753 1.085 50 40 DDGB Cc1occc1C(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 103298226 KWWAIYMXVPWIJV-VDQHWBOFSA-N 318.373 1.680 50 40 DDGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OC 409001227 VPPBJBRIPBGZGK-PDGQHHTCSA-N 317.389 1.206 50 40 DDGB CCOC(=O)[C@@H]1CO[P@@](=O)(N(CCCl)CCCl)N1 1556921 LCSKFSHPFAAHJP-DCXZOGHSSA-N 319.125 1.426 50 40 DDGB C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)C1CCCCC1 101544693 PXLPCZFGCVYOCI-QCUKBLKESA-N 309.410 1.744 50 40 DDGB C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N/N=C/c1ccc(F)cc1 2785705 REAXKKZRPGXHCG-WTSVEOLSSA-N 319.296 1.717 50 40 DDGB NNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1 35999698 LSKJTQWETPXWNE-HOTGVXAUSA-N 306.369 1.762 50 40 DDGB CC[C@H](CCC(=O)NNC(=O)c1ccccc1Cl)C(=O)O 2327967 NPKKAJXPCRLXDP-SECBINFHSA-N 312.753 1.992 50 40 DDGB Cc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 5730522 MTPAXXNXAPQKJZ-UHFFFAOYSA-N 309.325 1.846 50 40 DDGB O=C(N/N=C\c1cccc(O)c1)c1cc([N+](=O)[O-])ccc1O 83331579 OLCHENHHILTBNQ-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB CS(=O)(=O)c1ccc2nc(NC(=O)CCl)sc2c1 6175060 CEMFDSCWNXFPQT-UHFFFAOYSA-N 304.780 1.877 50 40 DDGB COc1cc(O)c(/C=N/NC(=O)c2ccccc2O)c(OC)c1 6641105 URWYASFPNZGJBI-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB COc1cccc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1 551107 KCSLGBAOAZOBDU-OVCLIPMQSA-N 317.305 1.259 50 40 DDGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(=O)O 39557384 NTLVOEWMACMZBA-VDCVXVNISA-N 313.313 1.697 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccn(C(F)F)n1 252494403 NUNALMYKBSQNQH-PJQLUOCWSA-N 300.244 1.223 50 40 DDGB C=C[C@H]1O[C@@H]2[C@@H](OCCCl)O[C@@H]3CO[C@@H](C=C)O[C@H]3[C@@H]2O1 4285564 GCERILMWXXKMLZ-BIMSSTTISA-N 318.753 1.190 50 40 DDGB C/C(=N\NC(=O)[C@@H]1CCCNC1=O)c1ccc(C)c([N+](=O)[O-])c1 17027918 MOSMKDBUKMWQRG-YXHQGMJNSA-N 318.333 1.270 50 40 DDGB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2cccs2)C1 2793054 AIFMCKCBSLBLMX-WDEREUQCSA-N 322.386 1.956 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccnc1 408998921 JJVXBFHBNXDZQM-GZTJUZNOSA-N 300.318 1.275 50 40 DDGB COc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)[nH]2)cc1 40151144 VTUBQLRTVVAUBY-JLHYYAGUSA-N 311.345 1.714 50 40 DDGB COc1ccccc1OCC(=O)NNC(=O)c1ccc(C)cc1 510828 ZTUQNGKAAUOGRO-UHFFFAOYSA-N 314.341 1.844 50 40 DDGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(C(C)C)cc1 59459631 AVIJDQUHKKGYPT-XDHOZWIPSA-N 319.405 1.803 50 40 DDGB O=C(NNC(=O)[C@H]1CCCCN1Cc1ccccc1)C1CC1 89834943 AXMMEVGTUGAOOR-OAHLLOKOSA-N 301.390 1.599 50 40 DDGB COc1ccccc1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 40177581 KROCWEKMHDNROB-JTQLQIEISA-N 317.794 1.454 50 40 DDGB N#C/C(=C/c1ccco1)C(=O)NS(=O)(=O)C[C@@H]1CCCCO1 102140220 VNZRMEUUNDPJPQ-ZWXCPPHNSA-N 324.358 1.202 50 40 DDGB O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1 2676327 IWNVYFWAHAVSDC-LZYBPNLTSA-N 316.273 1.068 50 40 DDGB CCOc1ccc2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1 201335093 BDJBXIOGZZPJNN-UHFFFAOYSA-N 305.139 1.503 50 40 DDGB COc1ccccc1/C=C/C=N/NC(=O)C[C@H]1C(=O)NN=C1C 100315772 YVDZCMHQQSSSJZ-FIIGXFQUSA-N 314.345 1.322 50 40 DDGB C/C(NC1CCCCC1)=C(/C#N)C(=O)NCCN1CCOCC1 507013 HJYCBZKITUCPBH-JQIJEIRASA-N 320.437 1.155 50 40 DDGB C[C@H](Sc1nnc(N)s1)C(=O)NNC(=O)c1ccccc1 7753540 MYKABKXNLVMTMM-ZETCQYMHSA-N 323.403 1.062 50 40 DDGB COCC(=O)N/N=C1\C(=O)Nc2ccc(C(F)(F)F)cc21 223747617 XCHATZFRCDTNNB-UHFFFAOYSA-N 301.224 1.124 50 40 DDGB C[C@H](O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 83293720 ABDFSHQBMMARKH-AVPSXBMNSA-N 303.274 1.686 50 40 DDGB NC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc12)c1ccccc1 26224086 WSPHGVLLBKLDEN-OAHLLOKOSA-N 308.341 1.629 50 40 DDGB COc1ccccc1OCC(=O)NNC(=O)Nc1ccccc1 142642 XKXOYCVENQNSNT-UHFFFAOYSA-N 315.329 1.927 50 40 DDGB CC(C)CC(=O)NNC(=O)Cc1csc(NC(=O)C2CC2)n1 32769381 OLNFXNBCEQMOEF-UHFFFAOYSA-N 324.406 1.228 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2cc(O)ccc2[N+](=O)[O-])cn1 35392023 HPNJWPIUCCHAMM-PXNMLYILSA-N 300.274 1.768 50 40 DDGB CC(C)=NNC(=O)CNC(=O)c1ccccc1Br 3897995 ZJSKODAVTUZUCF-UHFFFAOYSA-N 312.167 1.691 50 40 DDGB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N/N=C2/CCCN2)C1 98211209 VEEAULPIUSWARC-NSHDSACASA-N 310.398 1.447 50 40 DDGB Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)o1 3087930 RDLKEMSVDUDFTC-QGMBQPNBSA-N 303.293 1.607 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2C)cc1 146476 SGJKEQDCQMUHFR-UHFFFAOYSA-N 304.371 1.927 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccc(O)c(OC)c2)ccc1O 579060 CTFQMAWAQIXIGS-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB COc1c(Cc2ccccc2)cc([N+](=O)[O-])cc1C(=O)NN 57352751 RJHAUZJYQPBXNV-UHFFFAOYSA-N 301.302 1.798 50 40 DDGB COc1ccc(-c2n[nH]cc2/C=N/NC(=O)C2CC2)cc1OC 1001898 CPXCKTLNUOCQOS-GIJQJNRQSA-N 314.345 1.954 50 40 DDGB COc1ccccc1NC(=O)[C@H](C)NNC(=O)c1ccccc1 8735806 FOKXKDGXIRHXMA-LBPRGKRZSA-N 313.357 1.957 50 40 DDGB COc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1 6652231 HONOZRUIDOLCSR-LICLKQGHSA-N 322.328 1.435 50 40 DDGB Cc1cnc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)cn1 6944049 XGLZLKHSDUFQMF-UHFFFAOYSA-N 316.386 1.800 50 40 DDGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1 408784776 SPLPPRUZQVVZPV-JYRVWZFOSA-N 302.330 1.670 50 40 DDGB O=C(COc1ccccc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 40902960 STINFEPUIOCCCB-CXUHLZMHSA-N 315.285 1.830 50 40 DDGB CC(C)N1C(=O)/C(=N/NC(=O)c2cccnc2)c2ccccc21 85637408 SICPSFJIMLANQV-XDJHFCHBSA-N 308.341 1.971 50 40 DDGB O=S1(=O)CC[C@@H](CNC(=S)OC[C@@H](Cl)CCl)C1 59568600 FABYIJBAUBZELV-YUMQZZPRSA-N 320.263 1.158 50 40 DDGB CC(=O)Nc1ccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1 103115029 KHBXESNSGYYMHH-LCYFTJDESA-N 301.302 1.127 50 40 DDGB CCOC(=O)NNS(=O)(=O)c1cc(Cl)sc1Cl 14201222 WYKSJRZKJOTVSI-UHFFFAOYSA-N 319.191 1.994 50 40 DDGB C/C(=N/NC(=O)CSc1nnc(N)s1)c1ccc(N)cc1 4735019 ZCCOSVSEGRJKDG-CHHVJCJISA-N 322.419 1.335 50 40 DDGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc(O)cc1 72336390 KLPMPPSIDXYJHK-NPYWETPNSA-N 323.352 1.372 50 40 DDGB O=C(CCl)N1CCN(c2nccc(C(F)(F)F)n2)CC1 152436 UMNFUFUVDKJPHZ-UHFFFAOYSA-N 308.691 1.383 50 40 DDGB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCl)c1 3885258 CDNNKGBBUQLDOW-UHFFFAOYSA-N 311.190 1.768 50 40 DDGB CCC[C@H](NC(=O)NNC(=O)c1cnccn1)c1ccccc1 32795370 AKQIGQRENNODBN-ZDUSSCGKSA-N 313.361 1.962 50 40 DDGB Cc1c(C(=O)NNC(=O)C(C)C)cnn1-c1ccc(F)cc1 32796067 ZUYOKQSQMBITOV-UHFFFAOYSA-N 304.325 1.737 50 40 DDGB COCCNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 5383832 JZZSQIMZXMVYBP-WOJGMQOQSA-N 305.378 1.197 50 40 DDGB Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 6207824 JQAXUWAICJLUCW-STQMWFEESA-N 304.346 1.647 50 40 DDGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1 4656969 XRNNCIKIMZVBKX-UHFFFAOYSA-N 321.333 1.051 50 40 DDGB CO[Si](CCCNC(=O)N1CCCCCC1=O)(OC)OC 169945498 XLOUXCBUKZRSQG-UHFFFAOYSA-N 318.446 1.367 50 40 DDGB Cc1occc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 358519 HONCVIIWPSYXNU-UHFFFAOYSA-N 319.273 1.336 50 40 DDGB CC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 44866573 KOYKJNHFTHJQCW-UHFFFAOYSA-N 321.340 1.715 50 40 DDGB Cc1occc1C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 4651744 ZPRHAYJUTINVRW-QCZKYFFMSA-N 306.318 1.096 50 40 DDGB Cc1ccc(C(=O)C[C@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)cc1 4816119 ODPRSEAMWUHPLN-SFHVURJKSA-N 318.336 1.927 50 40 DDGB O=C(CCCCl)NC(=S)NNC(=O)c1cccs1 32118561 MLSPJFIJPXHZSD-UHFFFAOYSA-N 305.812 1.403 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc([N+](=O)[O-])c1 16693958 SIGPYJAVBMFOJG-JYRVWZFOSA-N 312.285 1.729 50 40 DDGB CN(C)C(=O)[C@H]1C(=S)NC(N)=C(C#N)[C@H]1c1cccs1 1412629 YJLIZTVLEUBDND-VHSXEESVSA-N 306.416 1.161 50 40 DDGB NNC(=O)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1 378280 HRJJJRHAWVSTIC-UHFFFAOYSA-N 305.378 1.134 50 40 DDGB Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 358755 JQAXUWAICJLUCW-QWHCGFSZSA-N 304.346 1.647 50 40 DDGB O=S(=O)(CCCCCl)NS(=O)(=O)c1ccccc1 3190973 HOQOBAGIGOMXHE-UHFFFAOYSA-N 311.812 1.314 50 40 DDGB Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccco2)cc1 4950463 IVPMXCBELLRFLV-UHFFFAOYSA-N 303.343 1.537 50 40 DDGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)NC1CCCCC1 59444295 GKNPHACPKAQESW-LICLKQGHSA-N 317.345 1.284 50 40 DDGB C[C@@H](NC(=O)C(=O)N/N=C\c1ccccc1O)c1ccccc1 55372165 IQHABSJKXJOAQD-OTWJJXBCSA-N 311.341 1.720 50 40 DDGB COCC1=C(C(=O)OC)[C@@H](c2ccccc2C)C(C#N)=C(N)O1 4729311 HHXNFCGXGPTNQV-AWEZNQCLSA-N 314.341 1.876 50 40 DDGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1O 16440537 WBTSUQQZPGGZAX-UKTHLTGXSA-N 304.346 1.851 50 40 DDGB O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc[nH]c1=O 9500136 ZRIALADALQKSMG-UHFFFAOYSA-N 305.721 1.032 50 40 DDGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1cccc(Cl)c1 408939961 NRFMLYJDPFLFRY-QGMBQPNBSA-N 318.764 1.683 50 40 DDGB CCn1nc(C)c(/C(C)=N/NC(=O)NC[C@H]2CCCO2)c1C 95389952 XMIWSWNVAMMBDF-VGSSETLESA-N 307.398 1.722 50 40 DDGB CCOc1ncccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 137973 YSSGHEYIMSGTIS-OVCLIPMQSA-N 304.262 1.745 50 40 DDGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccnc1 4180433 NEOMBIGCKVDRSO-LICLKQGHSA-N 313.317 1.820 50 40 DDGB COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1 992500 GVDJMYODTPKXJV-LZYBPNLTSA-N 302.286 1.576 50 40 DDGB CC(NNC(=O)c1ccncc1)=C1C(=O)CC(C)(C)CC1=O 100079414 QKPNHPLNUDOGIT-UHFFFAOYSA-N 301.346 1.548 50 40 DDGB Cc1ccc(N/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 5895979 ZXHOLVIPXAQGEI-FWLQQBITSA-N 319.386 1.118 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 408837621 KANAMIXXZFZPIH-SFQUDFHCSA-N 304.346 1.855 50 40 DDGB Cc1ccccc1NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 12421670 HYHUPHNUSKANCY-ONGXEEELSA-N 302.783 1.521 50 40 DDGB COC(=O)[C@H](Br)[C@H](O)c1ccc(OC)c(OC)c1 1673145 RYYMZWXGKKBRNJ-GHMZBOCLSA-N 319.151 1.674 50 40 DDGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 501943 IJNXMVNHYHANOZ-UHFFFAOYSA-N 306.322 1.872 50 40 DDGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccn1 409067611 GHAUDTCBMWBPHE-DEDYPNTBSA-N 324.384 1.991 50 40 DDGB CS(=O)(=O)[C@@H](Br)C(=O)c1cccc([N+](=O)[O-])c1 96517838 QZVVDBPNWDYQNE-SECBINFHSA-N 322.136 1.543 50 40 DDGB O=C(O)COc1ccccc1/C=N/NC(=O)c1cccs1 103613 KPXKFRGPHPIURT-OVCLIPMQSA-N 304.327 1.975 50 40 DDGB CCOc1ccc(/C(C)=N/NC(=O)CN2CCOCC2)cc1 19797780 XWQKMQQCAJBXPO-GHRIWEEISA-N 305.378 1.258 50 40 DDGB O=C(O)CCCC(=O)NNC(=O)c1cc(Cl)ccc1O 1948114 MPEXALGIDHVALP-UHFFFAOYSA-N 300.698 1.062 50 40 DDGB O=C(NNC(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 8274977 MMBBYUVZQJYYII-UHFFFAOYSA-N 316.288 1.672 50 40 DDGB CNc1nccn2cc(C(=O)N/N=C/c3ccc(OC)cc3)nc12 43761213 POQVLXPNPAAUMK-DJKKODMXSA-N 324.344 1.544 50 40 DDGB O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1F 81025280 QBEKUIXZYNSTMF-KGLIPLIRSA-N 313.332 1.714 50 40 DDGB Cc1occc1C(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 101518701 ZSHCLNMZGHDSTQ-DJIHRAIXSA-N 318.329 1.262 50 40 DDGB N#C/C(=C/c1cc(Br)ccc1O)C(=O)NC(N)=O 409247281 MAKHIIJSSWNHKZ-CLTKARDFSA-N 310.107 1.257 50 40 DDGB O=c1[nH]c(=O)n2c(c1-c1ccccc1)O[C@H](CBr)C2 2028358 AVRYMROWZGXKDF-SECBINFHSA-N 323.146 1.360 50 40 DDGB COc1cccc(/C=C/C(=O)NNC(=O)c2ccco2)c1OC 6603011 KGZFUXFTVUUWPL-CMDGGOBGSA-N 316.313 1.771 50 40 DDGB Cc1ccc(N/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 5895987 ZXHOLVIPXAQGEI-UQTJOTSZSA-N 319.386 1.118 50 40 DDGB O=C(NNC(=O)c1ccccn1)c1ccc(OC(F)F)cc1 6948343 WHWXNANDQARYQD-UHFFFAOYSA-N 307.256 1.758 50 40 DDGB O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1F 81025293 QBEKUIXZYNSTMF-ZIAGYGMSSA-N 313.332 1.714 50 40 DDGB Cn1nc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)c2ccccc2c1=O 38720328 PSULSGMMPCSRPL-ZOTSVIKBSA-N 308.341 1.615 50 40 DDGB O=C(/C=C/c1ccco1)NC(=S)NNC(=O)c1cccnc1 2316471 STLBMLSYURQJCJ-AATRIKPKSA-N 316.342 1.024 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc(C(=O)O)c1 16693952 FFDGEHNUSXOHQC-JYRVWZFOSA-N 311.297 1.519 50 40 DDGB C/C(=N\NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 195950 YXWZAHMBLHBCLA-XDHOZWIPSA-N 308.345 1.895 50 40 DDGB C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)Cc1ccc(F)cc1 22873500 SNXHESRQVHEXEV-JTQLQIEISA-N 323.368 1.066 50 40 DDGB Cn1cccc1/C=C(\C#N)C(=O)NCc1ccc2c(c1)OCO2 17031909 RDOZNKSRLMOZQR-MDWZMJQESA-N 309.325 1.977 50 40 DDGB Cc1cc(C)nc(NNC(=O)[C@H]2COc3ccccc3O2)n1 12755523 VVGQQIGNVHTOAL-CYBMUJFWSA-N 300.318 1.377 50 40 DDGB NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1 408905362 XVGPLQOGQQUQBH-NVMNQCDNSA-N 313.313 1.020 50 40 DDGB COc1ccnc(NNC(=O)c2cccc([N+](=O)[O-])c2C)n1 40510806 AQGUGAVDCVRMPG-UHFFFAOYSA-N 303.278 1.459 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC12OCCO2 1100062 LSAUEDKEWAOFEB-BVTUPMQUSA-N 319.317 1.588 50 40 DDGB O=C(N/N=C/[C@H]1CC=CCC1)C(=O)N/N=C/[C@H]1CC=CCC1 5830332 UQXIGTNZDICMJB-CPRLBDBJSA-N 302.378 1.903 50 40 DDGB COc1ccc(CC(=O)NNC(=O)/C=C/c2ccco2)cc1 70563 WSHUTPPFKDJDGO-CMDGGOBGSA-N 300.314 1.692 50 40 DDGB O=C(Cn1cncn1)N/N=C/c1cccc(Br)c1 350481 UBDHHEPNDABUDA-LHHJGKSTSA-N 308.139 1.191 50 40 DDGB CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O 4517049 KLBADWIYWMPYCS-SFHVURJKSA-N 321.336 1.490 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)o1 3429636 BSKJCBWPMAJUDR-CQSZACIVSA-N 316.313 1.497 50 40 DDGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(OCC(N)=O)cc1 4507131 PUOPMKGUGNHKJR-VCHYOVAHSA-N 315.329 1.606 50 40 DDGB Cn1cc(Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 205677636 DEDXMDQKNDNIQL-LLVKDONJSA-N 304.737 1.888 50 40 DDGB Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1 320582 NUAFXTRPAWHBAY-UHFFFAOYSA-N 308.334 1.757 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2ccoc2C)cc1OC 378959 VSVFHKKAQQVYDX-UHFFFAOYSA-N 318.329 1.609 50 40 DDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1 59366729 MJPMJSOUGFCVGD-XNTDXEJSSA-N 304.306 1.057 50 40 DDGB O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc([N+](=O)[O-])o1 12587220 NMWDVZRJYIKXIN-AWNIVKPZSA-N 319.302 1.590 50 40 DDGB CC[C@H](NNC(=O)c1ccc(F)cc1)C(=O)Nc1cc(C)on1 9049771 CMIOXGZEEDMJGI-LBPRGKRZSA-N 320.324 1.774 50 40 DDGB Cc1cnc([C@@H](C)NCC(=O)NNC(=O)c2ccco2)s1 97112410 HNWZHKZCHLGOEC-SECBINFHSA-N 308.363 1.156 50 40 DDGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)NCC(C)C)cc1 408791332 WDDPJNKRLYFHEQ-RIYZIHGNSA-N 316.357 1.918 50 40 DDGB CCOC(OCC)c1ccc(B(O)O)n1C(=O)OC(C)(C)C 197980557 XPQKXANGZDINNH-UHFFFAOYSA-N 313.159 1.023 50 40 DDGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1cccc(O)c1 101158823 CRBFUPABXRBGDR-YBFXNURJSA-N 312.329 1.922 50 40 DDGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Cl 3887314 YUYQDWSUJMXBHY-VIFPVBQESA-N 304.799 1.811 50 40 DDGB Cc1cccc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 6316873 PBHKSNOTMKMTTK-STQMWFEESA-N 304.346 1.647 50 40 DDGB CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)CCl 9596197 WQANNCFEHNFGDV-UHFFFAOYSA-N 319.814 1.358 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 59515579 WPDBYUHYMKHUKA-OQLLNIDSSA-N 304.306 1.104 50 40 DDGB COc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 12421668 GNTMLZKSEZRNOH-MNOVXSKESA-N 318.782 1.221 50 40 DDGB CC(C)c1ccc(OCC(=O)NNC(=O)C(F)(F)F)cc1 2589879 MNRTYOJEUVOCGD-UHFFFAOYSA-N 304.268 1.899 50 40 DDGB CC(=O)N/C=C1\C(=O)N(Cc2ccccc2)C(=O)C(C#N)=C1C 6489730 MBMMJYYQVCJXPL-DHDCSXOGSA-N 309.325 1.415 50 40 DDGB COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(OC)c1 1462468 KFKMMGHEWSUHPW-NRUITVPNSA-N 316.357 1.906 50 40 DDGB COC(=O)c1cc(/C=C/C(=O)NNC(=O)c2ccco2)oc1C 12680967 NJBQALPEHMSASC-AATRIKPKSA-N 318.285 1.442 50 40 DDGB Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1 4476325 FTMHERZVKGSVBZ-CQSZACIVSA-N 310.309 1.659 50 40 DDGB COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)CC#N 409084169 BSQIBLWDFILLHI-WOJGMQOQSA-N 316.361 1.668 50 40 DDGB CCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O 5701896 ZBGGPARWTWQBME-UHFFFAOYSA-N 317.345 1.288 50 40 DDGB CC1CCN(C(=O)[C@H]2CCCN2C(=O)CBr)CC1 72207503 CCIDWZHUSUOTIA-LLVKDONJSA-N 317.227 1.631 50 40 DDGB NC(=O)N/N=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 4544239 AUBNFHLWMCYNOW-SOFYXZRVSA-N 317.257 1.345 50 40 DDGB CN(C)NC(=O)[C@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 100855587 FXOKJOYRPHVSRJ-JCOFBHIZSA-N 317.227 1.738 50 40 DDGB Cn1cc(C(=O)NNC(=O)c2cccs2)c(C(F)(F)F)n1 1402692 DTUAWDRDFVXTOH-UHFFFAOYSA-N 318.280 1.575 50 40 DDGB Cc1cccc2c1[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2[nH]nc(C)c21 8721221 VDIMNQRHWVABQY-INIZCTEOSA-N 307.313 1.351 50 40 DDGB O=C(N/N=C/c1ccc(Br)cc1)C(=O)N1CCCC1 5569261 JNPAKAXQYOKTEJ-OQLLNIDSSA-N 324.178 1.522 50 40 DDGB Cc1nc([N+](=O)[O-])c(SCC(=O)NN)n1Cc1ccccc1 343797 XPOCSOMJRWIANI-UHFFFAOYSA-N 321.362 1.230 50 40 DDGB O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1cccc(Cl)c1 2784309 PTBDTUCFUPUOGZ-RYUDHWBXSA-N 322.748 1.768 50 40 DDGB O=C(CNC(=O)c1ccc2ccccc2c1)NNC(=O)C1CC1 26969296 ACGNAXIMEIFEBT-UHFFFAOYSA-N 311.341 1.127 50 40 DDGB O=C(NNC(=O)C1CC1)c1ccc(NC(=O)c2ccccn2)cc1 44872404 LOJVSELFGONQES-UHFFFAOYSA-N 324.340 1.505 50 40 DDGB O=C(Cc1ccccc1)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 6880702 OXUPJKRDVRALEI-STQMWFEESA-N 302.330 1.044 50 40 DDGB O=C([C@H]1CCCN1C(=O)CBr)N1CCCCC1 72207509 DYCAINPWHBLDCP-SNVBAGLBSA-N 303.200 1.385 50 40 DDGB CC[C@H](C)NC(=O)C/C(C)=N\NC(=O)COc1ccccc1 12418653 YCEJRVZTQOWWIT-JYRXDZGKSA-N 305.378 1.862 50 40 DDGB Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1S2(=O)=O 1561721 LITUOIZSRMCWRQ-UHFFFAOYSA-N 308.295 1.671 50 40 DDGB CC(=O)C1=C(C)N(C)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517035 NYYWPMYESXYVAL-QGZVFWFLSA-N 309.325 1.346 50 40 DDGB Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccccc1)C(C#N)=C(N)O2 4851017 BOHOYRWTHZZYGX-HNNXBMFYSA-N 323.352 1.367 50 40 DDGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])o1 1106411 JCQLVWVLAIHTGL-VIZOYTHASA-N 317.257 1.609 50 40 DDGB N#CC(C#N)=CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 55010794 LFGIWOFUMVJBIR-HNNXBMFYSA-N 309.373 1.409 50 40 DDGB O=C1C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)O1 100746743 TVSAEXGRAZBZBJ-LKJZUNMESA-N 319.363 1.730 50 40 DDGB O=C(CCCC(=O)N/N=C/c1ccco1)N/N=C/c1ccco1 1880501 MVYPAPZFUMEYQJ-OTYYAQKOSA-N 316.317 1.643 50 40 DDGB Cc1ccc(NC(=O)C(=O)NNC(=O)/C=C/c2ccccc2)cc1 3664249 PSXUIGIPPOIOEE-FMIVXFBMSA-N 323.352 1.794 50 40 DDGB C#CCN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21 5816474 KEDPSVVDSAWIGY-CYVLTUHYSA-N 304.309 1.196 50 40 DDGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CCCO 5250248 CWVRFKWVUPMLCY-LFIBNONCSA-N 322.365 1.664 50 40 DDGB Cc1nn([C@@H](C)C(=O)N/N=C/c2cccnc2)c(C)c1[N+](=O)[O-] 545429 MICRIZLBOZCSLS-AXLKIAQESA-N 316.321 1.514 50 40 DDGB Cc1cc(C)nc(NNC(=O)Cc2cn3ccsc3n2)n1 22234582 LMURHBDNWRDYNX-UHFFFAOYSA-N 302.363 1.488 50 40 DDGB COc1ccc2c(c1)/C(=N/NC(=O)c1ccc(N)cc1)C(=O)N2 6715231 XHBNOOLANVQLBW-UHFFFAOYSA-N 310.313 1.364 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccccc2O)c(OC)c1 9550074 ULQOJEUYNCXALB-UHFFFAOYSA-N 316.313 1.484 50 40 DDGB COc1ccc(/C=N/NC(=O)CC2(C)OCCCO2)c(OC)c1 408719746 QDOUNYUTGPVTSM-GZTJUZNOSA-N 322.361 1.697 50 40 DDGB N=C(CSS(=O)(=O)O)NCCCOCc1ccccc1 31343344 JCDVXGPHXXODML-UHFFFAOYSA-N 318.420 1.696 50 40 DDGB C[C@H]1CN(CN2C(=O)C(=C(C#N)C#N)c3ccccc32)C[C@H](C)O1 39379246 ZLKKIKGNBDIKNF-STQMWFEESA-N 322.368 1.901 50 40 DDGB O=C(NNC(=O)c1cccc(O)c1)Nc1cccnc1Cl 65771734 VFWSQRROYXCYAR-UHFFFAOYSA-N 306.709 1.907 50 40 DDGB Nc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 5927270 AOFBCYXSYSXCJK-GIJQJNRQSA-N 313.313 1.496 50 40 DDGB C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(O)c1)c1ccccc1 7813163 KHOBUEQLMZVMPM-MBNTZHJCSA-N 311.341 1.720 50 40 DDGB CCN(CC)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 59246395 YGHCRFNXZBCKHA-QGOAFFKASA-N 318.421 1.315 50 40 DDGB Cn1cccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2 21632965 XGTFGNMUUBMVLX-UHFFFAOYSA-N 319.386 1.137 50 40 DDGB O=C(Cl)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 73658811 PYIJEOPNEUVOJC-MRVPVSSYSA-N 302.783 1.501 50 40 DDGB CN(c1ccc(C(=O)NN=C2CCCC2)cc1)S(C)(=O)=O 409120989 VBGFJDJYXLRHRO-UHFFFAOYSA-N 309.391 1.742 50 40 DDGB COC(=O)N[C@H](/N=C(\N)c1ccc(OC)cc1)C(Cl)Cl 97946898 XEXQRGWLMLNBKV-NSHDSACASA-N 320.176 1.886 50 40 DDGB COc1ccc(/C=N/NC(=O)CC(=O)NC(C)C)cc1OC 3057836 QPQZCGXPDZTTJP-CXUHLZMHSA-N 307.350 1.069 50 40 DDGB O=C(CCN1CCOCC1)N/N=C/c1c[nH]c2ccccc12 19286566 VOKJDQVIPWHACD-LDADJPATSA-N 300.362 1.340 50 40 DDGB CCOC(=O)[C@H]1[C@H]2C[C@H](OC2=O)[C@H](Br)[C@@H]1Cl 100951944 JKKDXLXBGLGRJZ-IMFYSGRJSA-N 311.559 1.482 50 40 DDGB O=C(CCl)NC1CCN(C(=O)CCc2ccccc2)CC1 62146684 GHXJJXADQHTRQV-UHFFFAOYSA-N 308.809 1.965 50 40 DDGB in-vitro CN(CC(=O)NNC(=O)OC(C)(C)C)C(=O)c1cccs1 84240762 DSUWALXNRBHAQY-UHFFFAOYSA-N 313.379 1.376 50 40 DDGB C=CCc1cc(/C=C(\C#N)C(=O)NCCOC)cc(OC)c1O 255333194 AZDUNLFQMQFHQS-NTEUORMPSA-N 316.357 1.799 50 40 DDGB COc1ccc(/C=N/NC(=O)COc2ccccc2O)cc1 42723 IDCCYQHKLKNZNA-LICLKQGHSA-N 300.314 1.930 50 40 DDGB O=C(N/N=C/c1cc2[nH]nc(Cl)c2cn1)c1cccnc1 44918714 BVRSZBZRCREXKX-UBKPWBPPSA-N 300.709 1.770 50 40 DDGB Cc1c(C(=O)NNC(=O)c2cnsn2)oc2ccccc12 58406323 HXXMZQZHHJDSGG-UHFFFAOYSA-N 302.315 1.668 50 40 DDGB CCO[Si](CCCOC[C@H]1COC(=O)O1)(OCC)OCC 627276222 HSLQYFHPKMIRHF-LBPRGKRZSA-N 322.430 1.977 50 40 DDGB CC(=O)NNc1ncnc2c1cnn2-c1cccc(Cl)c1 16890439 PRLWGZBTSOTDMH-UHFFFAOYSA-N 302.725 1.932 50 40 DDGB CC(=O)NNC(=O)/C=C/c1cc(Br)ccc1F 23198617 WXSSDZCPENPFOF-GORDUTHDSA-N 301.115 1.769 50 40 DDGB O=C1OC(=O)[C@]2(Br)[C@H]3C=C[C@@H](C3)[C@@]12Br 104183996 GJFXBTXPLZPKBO-KTLDWYAMSA-N 321.952 1.543 50 40 DDGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccn2)c1O 36093666 QTNIDCURVGOAOX-LZYBPNLTSA-N 300.274 1.768 50 40 DDGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1ccc(N)cc1 96519088 AHMORSJGUBWOOC-ZJUUUORDSA-N 308.197 1.458 50 40 DDGB Cc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 5363219 FFYJJEUCXAHWJU-MNOVXSKESA-N 302.783 1.521 50 40 DDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)CC(=O)N1 181205 QAHLQPOTVNPOAB-VIFPVBQESA-N 306.343 1.833 50 40 DDGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1ccccc1F 4599070 XUIDTAFVUHEWDT-VGOFMYFVSA-N 312.278 1.429 50 40 DDGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1 4703162 CRMYSXMZAHWXFX-XDHOZWIPSA-N 311.341 1.201 50 40 DDGB COC(=O)[C@@H](CCC(=O)CCl)N1C(=O)c2ccccc2C1=O 1702338 OYKOYIWBGZHTMK-GFCCVEGCSA-N 323.732 1.412 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409380908 JWNYPDKTSFPSEH-IGQOVBAYSA-N 314.341 1.279 50 40 DDGB Cc1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1[N+](=O)[O-] 195708 STUWBCKQXQUXFZ-UHFFFAOYSA-N 324.296 1.989 50 40 DDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])o1 5457788 BSHVVUIBYJKDCC-GFCCVEGCSA-N 319.273 1.833 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC#N 6145596 NZRYUHYZIFMNGX-YBFXNURJSA-N 310.313 1.756 50 40 DDGB Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1 6504673 IZWIRPISGLJBBN-UHFFFAOYSA-N 303.343 1.537 50 40 DDGB NC(=O)N/N=C(/CCN1CCCCC1)c1ccc([N+](=O)[O-])o1 8615557 QRAMHPOAJHBWTK-GDNBJRDFSA-N 309.326 1.436 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1OC(F)F 103054045 BTDNVBZJANPBFV-NTMALXAHSA-N 310.256 1.770 50 40 DDGB O=C(C=C(C1CC1)C1CC1)NNC(=O)c1n[nH]c2c1CCCC2 56314961 XYSMMWVLWSAVLG-UHFFFAOYSA-N 314.389 1.796 50 40 DDGB O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc2c(c1)OCO2 6648339 MRLPDXXQMBAMEI-UHFFFAOYSA-N 324.296 1.366 50 40 DDGB Cc1ccccc1[C@@H]1CC(=O)NC(SCC(N)=O)=C1C#N 9374893 FDAIJDULWTUROI-NSHDSACASA-N 301.371 1.552 50 40 DDGB CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 59459700 YXJSRRDLCDFEQI-QGOAFFKASA-N 317.389 1.938 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(=O)c2ccccc2o1 104556291 MIYBVYWGXGMPGT-LUAWRHEFSA-N 312.281 1.275 50 40 DDGB N#CC(C#N)=CNc1nn(-c2cccc([N+](=O)[O-])c2)cc1C#N 7716993 QIVGPRBBUBASCB-UHFFFAOYSA-N 305.257 1.995 50 40 DDGB Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)c(C)o1 3559922 UMVXOMHQTVZWFK-UHFFFAOYSA-N 321.358 1.149 50 40 DDGB C[C@H]1CN([C@@H](C)C(=O)NNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 13119829 MQTAUJSXOJZCIC-TUAOUCFPSA-N 323.368 1.084 50 40 DDGB Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4522562 JQAXUWAICJLUCW-OLZOCXBDSA-N 304.346 1.647 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(O)c1 409390291 CGZXHQUSENNELI-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB COc1cc(/C=N/NC(=O)C2=COCCO2)cc(OC)c1OC 2679764 MRAVROLHMNIEBP-LZYBPNLTSA-N 322.317 1.051 50 40 DDGB CCC(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCCO2 4697810 TYNJXYYFQSGBDH-LICLKQGHSA-N 305.334 1.689 50 40 DDGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(Br)cc1 7782216 FSQGBFJVAJRAQH-VGOFMYFVSA-N 312.167 1.424 50 40 DDGB CCCC(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 5857618 ZLCVODWICHRKTQ-UHFFFAOYSA-N 305.378 1.970 50 40 DDGB COc1ncccc1CNC(=O)NNC(=O)c1ccoc1C 45129069 BDHBROFFNPERBP-UHFFFAOYSA-N 304.306 1.136 50 40 DDGB Cc1noc(-c2ccc(C(=O)NNC(=O)c3ccco3)cc2)n1 48311338 STZOFSXGUJNPJX-UHFFFAOYSA-N 312.285 1.713 50 40 DDGB CNC(=O)NNC(=O)C1(c2ccc(OC)cc2)CCCCC1 65892840 WIVJXTYEXQOMDX-UHFFFAOYSA-N 305.378 1.857 50 40 DDGB CC(=O)NNC(=O)CN(C)Cc1ccc(OC(F)(F)F)cc1 40497556 YXHNDDMUGWUOHR-UHFFFAOYSA-N 319.283 1.184 50 40 DDGB Cc1cccc(NC(=S)NNC(=O)Cn2nc(C)cc2C)c1 373663 ASWOVGLBLVRCIF-UHFFFAOYSA-N 317.418 1.826 50 40 DDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)c(OC)c1 59515658 KPOGBQZFYCQAFR-CXUHLZMHSA-N 317.301 1.386 50 40 DDGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1cccs1 4132232 JDQJUVQXSKOMLO-IZZDOVSWSA-N 300.317 1.352 50 40 DDGB O=C1Nc2ccc(F)cc2/C1=N/NC(=O)[C@H](O)c1ccccc1 17052335 KONXQRVAWHQDAM-CQSZACIVSA-N 313.288 1.332 50 40 DDGB CCOC(=O)c1cnn(C)c1NC(=O)[C@@H](Br)CC 41181206 FAJZZPVEBNJCTC-QMMMGPOBSA-N 318.171 1.709 50 40 DDGB O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1cccc2ccccc12 4939979 VKVIPTIGKSCIRT-KGLIPLIRSA-N 323.801 1.974 50 40 DDGB Cc1cc(C)nc(NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)n1 22236135 BNMDLXSOKAAFJR-BXUZGUMPSA-N 314.345 1.765 50 40 DDGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCCCCC1 59459710 UNHQCIUPIGZWBL-LFIBNONCSA-N 318.333 1.448 50 40 DDGB O=C(Cc1ccccc1)N/N=C/c1ccc(S(=O)(=O)O)o1 1834003 LSIYMCBXRQZXFF-NTEUORMPSA-N 308.315 1.219 50 40 DDGB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1[C@H](C)SC#N 31769100 NMOHAMWFNUPQOK-VIFPVBQESA-N 310.375 1.703 50 40 DDGB CCNC(=O)NNC(=O)COc1ccc(Cl)cc1Cl 49183672 IZQNPFGDZNTCIG-UHFFFAOYSA-N 306.149 1.723 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)CSc1ccccn1 252478245 AGIGITBWCYXRNP-FRKPEAEDSA-N 307.354 1.505 50 40 DDGB COc1ccc2c(c1)/C(=N\NC(=O)c1ccc(O)cc1)C(=O)N2 59472593 DTLLHBYYCZFDLB-UHFFFAOYSA-N 311.297 1.487 50 40 DDGB C[C@H](C(=O)NNC(=O)c1cccnc1)N1CCc2ccccc2C1 69813419 AXYNSNJOZNBHPV-CYBMUJFWSA-N 324.384 1.289 50 40 DDGB COC[C@@H](C)NC(=S)NNC(=O)/C=C/c1sccc1C 7975525 BHUHKVXXEFJADE-ORAHPGNNSA-N 313.448 1.600 50 40 DDGB COC(=O)C[C@@H](Br)c1nc2ccccc2[nH]c1=O 16189728 IUIJNJHDDAJREC-SSDOTTSWSA-N 311.135 1.922 50 40 DDGB CC1=C(C#N)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N1 4581032 VSKSRXVDANUMPB-GFCCVEGCSA-N 310.235 1.040 50 40 DDGB O=C(NNC(=O)c1cncc(Br)c1)c1ccncc1 258353 XGPRFJVISWTWKY-UHFFFAOYSA-N 321.134 1.314 50 40 DDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2cccs2)[C@@H](C(=O)O)C1 2793057 AIFMCKCBSLBLMX-MNOVXSKESA-N 322.386 1.956 50 40 DDGB CCOC(=O)[C@@H]1[C@@H]2C[C@H](OC2=O)[C@H](Br)[C@@H]1Cl 100951941 JKKDXLXBGLGRJZ-YOWKYNACSA-N 311.559 1.482 50 40 DDGB COc1ccccc1C(=O)N/N=C/c1ccc(S(=O)(=O)O)o1 4544156 QJCJDPKXYWAFOU-RIYZIHGNSA-N 324.314 1.299 50 40 DDGB C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)CBr)C1 72207500 QQZSGNQRLQNPLY-GHMZBOCLSA-N 317.227 1.631 50 40 DDGB COc1ccc(OC)c(Nc2nc(CC(=O)NN)cs2)c1 223451474 PVISCBWEQPCSQD-UHFFFAOYSA-N 308.363 1.436 50 40 DDGB CCOC(=O)c1nc2c([nH]1)[C@@H](c1ccoc1)C(C#N)=C(N)O2 5686418 QSFZHDOFGILVOD-VIFPVBQESA-N 300.274 1.398 50 40 DDGB C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)C(=O)NC(C)C 5230815 GYJRNSKSVHPBOT-SFQUDFHCSA-N 312.414 1.039 50 40 DDGB C=CCNC(=O)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 100048422 VUCBSFHUAHKSPF-MHWRWJLKSA-N 304.306 1.393 50 40 DDGB COc1cc(OC)cc([C@H]2SC(N)=C(C#N)C(N)=C2C#N)c1 126045 MMQHMELLFFCIGC-CQSZACIVSA-N 314.370 1.922 50 40 DDGB N#CC1=C(N)Oc2cc(O)ccc2[C@@]12C(=O)Nc1ccccc12 1436431 QMVLSYSURCMBCN-QGZVFWFLSA-N 305.293 1.717 50 40 DDGB COc1cc(/C=N/NC(=O)c2nn(C)cc2Cl)ccc1O 549984 WOSGASZZPQYLKB-GIDUJCDVSA-N 308.725 1.552 50 40 DDGB C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1ccc(F)cc1 58009915 QAMPMQJGYGEIAD-MFKMUULPSA-N 310.325 1.171 50 40 DDGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCC(F)(F)F)C(=O)OC2=O 8433259 GLOGKLLPPPTWTD-VXGBXAGGSA-N 307.268 1.561 50 40 DDGB biogenic CC[C@H](C)NC(=O)C/C(C)=N/NC(=O)COc1ccccc1 4381041 YCEJRVZTQOWWIT-DHPZXVACSA-N 305.378 1.862 50 40 DDGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3cnccn3)ccc21 7990377 GIZDIQKVPNMIHQ-UHFFFAOYSA-N 324.344 1.229 50 40 DDGB C[N+]1(C)C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2OCCCl)C1 4601782 JUKZVCDEHMYQLF-NEPJUHHUSA-N 320.753 1.041 50 40 DDGB COc1cc(/C=N\NC(=O)c2cccc(O)c2)cc(OC)c1O 30774298 GACSFJCQJVVNJH-MFOYZWKCSA-N 316.313 1.879 50 40 DDGB COc1cccc(-c2ncc(C(=O)NN)c(NC(C)C)n2)c1 223462300 IERJWYGJERJCHM-UHFFFAOYSA-N 301.350 1.576 50 40 DDGB CCOC(=O)/C(C#N)=C/C1=C(N2CCOCC2)C(C)(C)OCC1 20058114 UBWSGNGJRNBCNX-SDNWHVSQSA-N 320.389 1.785 50 40 DDGB CNC(=O)/C(C#N)=C\c1cc(Br)c(O)c(OC)c1 40889083 BAHIMLUNTYALHS-BAQGIRSFSA-N 311.135 1.816 50 40 DDGB COc1ccccc1OCC(=O)NNC(=O)c1cccc(C)c1 579289 NBXPORLAXFTBQN-UHFFFAOYSA-N 314.341 1.844 50 40 DDGB Cc1ccccc1OCC(=O)NNC(=O)c1cccc(F)c1 2629108 KKRCLZPTGFVDBR-UHFFFAOYSA-N 302.305 1.974 50 40 DDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 7785460 KVJIXEJPQSAXIZ-VCBXAZPMSA-N 307.350 1.069 50 40 DDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCCCC1 3294315 MACKBZLVTSPJHE-CQSZACIVSA-N 304.346 1.554 50 40 DDGB O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccn1 15461101 ISZOTYBGIKUBRV-OAHLLOKOSA-N 310.357 1.336 50 40 DDGB C=CCNC(=S)NNC(=O)c1sc2ncccc2c1N 19894297 JXMCYKBXMHZMOJ-UHFFFAOYSA-N 307.404 1.173 50 40 DDGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2)s1 408731039 KCQWITARJSAICM-OQLLNIDSSA-N 317.374 1.579 50 40 DDGB COC[C@H](Cl)/C(N)=N/S(=O)(=O)c1ccc(Cl)cc1 2148760 JMRJFKAVGQWOMZ-VIFPVBQESA-N 311.190 1.640 50 40 DDGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1 6953799 AVBIXZCSTDSUNW-FRKPEAEDSA-N 313.741 1.031 50 40 DDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 408610588 OKBUKKJTYLCZKS-YBFXNURJSA-N 311.341 1.462 50 40 DDGB COc1ccc(CCNC(=O)NNC(=O)c2ccoc2C)cc1 45128502 DNVNJEPVRUEHSL-UHFFFAOYSA-N 317.345 1.783 50 40 DDGB C=C[C@@H]1O[C@@H]2[C@@H](OCCCl)O[C@@H]3CO[C@H](C=C)O[C@H]3[C@@H]2O1 4285571 GCERILMWXXKMLZ-BKZLMLJWSA-N 318.753 1.190 50 40 DDGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(N)=O)o1 64319 UTTQLKOMYHTDIN-VIZOYTHASA-N 304.262 1.866 50 40 DDGB CCOC(=O)[C@H]1C[C@H](Br)[C@H](Br)C1=O 4532120 WYYIBELAIBSHJR-ZLUOBGJFSA-N 313.973 1.666 50 40 DDGB C/C(CC(=O)NCC(C)C)=N\NC(=O)c1ccc(O)cc1O 4904437 SRPGQKKYQXKBHA-LICLKQGHSA-N 307.350 1.366 50 40 DDGB O=S(=O)(c1ccccc1)N1C[C@@H]1CI 8637755 XZWLAXINCBWNPP-YMNIQAILSA-N 323.155 1.495 50 40 DDGB O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)C(=O)N/N=C1\C[C@H]2CC[C@@H]1C2 104044854 OQLAOXNDCYBUFL-YBLGFILRSA-N 302.378 1.571 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 59515585 QEWBXHQDEMDUST-GZTJUZNOSA-N 302.378 1.262 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccccc1F 7812988 NEIMSIKNIQUQOV-RQZCQDPDSA-N 301.277 1.620 50 40 DDGB Cc1ccc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1 9363662 FLXPFWAPYDOENL-NSHDSACASA-N 301.371 1.552 50 40 DDGB NNC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 1712193 XHBGHZUKMSXPKB-FJBKBRRZSA-N 308.337 1.584 50 40 DDGB Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 3442756 XLZSGUAGQZRYER-UHFFFAOYSA-N 312.325 1.613 50 40 DDGB Cc1cc(C)c(NCC(=O)NNC(=O)c2cnccn2)c(C)c1 9743285 GSYNQPJNFKJBRI-UHFFFAOYSA-N 313.361 1.275 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1O 58900395 LVCOIIMUSWXQOT-AWNIVKPZSA-N 320.217 1.566 50 40 DDGB CCC(=O)N(NC(=O)COc1cc(C)cc(C)c1)C(=O)CC 1799537 KLPLBYNWKPPCFL-UHFFFAOYSA-N 306.362 1.889 50 40 DDGB O=C(CSc1ncccn1)N/N=C/c1ccccc1C(=O)O 198232 QIUNCXAKHUTPAC-CAOOACKPSA-N 316.342 1.417 50 40 DDGB O=C(CI)Nc1ccc(C(=O)O)c(O)c1 1685743 QEQAPQHGLVGWMO-UHFFFAOYSA-N 321.070 1.464 50 40 DDGB CCOC(=O)CCCC/C(CCC(=O)OCC)=N/NC(N)=O 4975005 RJRIFRAWJHBRPE-WJDWOHSUSA-N 315.370 1.478 50 40 DDGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cnccn1 33344446 JQYTTZJHAMHMEO-SOFYXZRVSA-N 305.681 1.802 50 40 DDGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1O 5463807 VNJCNAYIQOMGQS-MHWRWJLKSA-N 308.334 1.394 50 40 DDGB CC(C)C(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(F)cc21 223754781 JNZUJDFFFVQPHJ-LGMDPLHJSA-N 321.377 1.764 50 40 DDGB CC(C)(C)C(=O)[C@H](I)S(C)(=O)=O 96517935 DJJYUJNZPIBPTE-ZCFIWIBFSA-N 304.149 1.407 50 40 DDGB CCCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OCC)c1 5951491 RLBWBPPRCDYDBN-LICLKQGHSA-N 307.350 1.157 50 40 DDGB [O-]/[N+](=C/c1ccc(N(CCCl)CCCl)cc1)CCO 1706490 ADYWMBWBVJDZDF-GZTJUZNOSA-N 305.205 1.892 50 40 DDGB C=CCNC(=S)NNC(=O)c1cccc(Br)c1 17724499 CLSMVQQMRFMJGJ-UHFFFAOYSA-N 314.208 1.744 50 40 DDGB O=C(NNC(=S)NCCCc1ccccc1)c1cccnc1 408585020 APIXZJMQQLXAQV-UHFFFAOYSA-N 314.414 1.823 50 40 DDGB CC(C)CC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100551211 GQDIYAWNOGASLV-UHFFFAOYSA-N 317.345 1.051 50 40 DDGB NS(=O)(=O)c1ccc(NC(=O)NNc2ccc(F)cc2)cc1 12750213 JTGXULWJTXGRIJ-UHFFFAOYSA-N 324.337 1.622 50 40 DDGB COC(=O)Cc1ccc(NC(=S)NNC(=O)C2CC2)cc1 13598616 MPWVFKSBXKVYRJ-UHFFFAOYSA-N 307.375 1.130 50 40 DDGB C[n+]1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 4738045 QWKWUEQQLBYIFA-UHFFFAOYSA-O 314.409 1.489 50 40 DDGB CC(C)CC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O 5689901 VDNFVSSXPAMAMD-UHFFFAOYSA-N 317.345 1.051 50 40 DDGB N/C(C[C@H]1Nc2cccnc2N1C1CC1)=N\OC(=O)CCl 4288705 ZTCVXBXWLXZIFV-NSHDSACASA-N 309.757 1.246 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccncc2)cc1[N+](=O)[O-] 216003 JRWDQSXWVQSUOW-UHFFFAOYSA-N 316.273 1.073 50 40 DDGB Cc1ccc(C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1 7519629 RBYPQHVIKWGSGU-UHFFFAOYSA-N 309.347 1.223 50 40 DDGB O=C(Cc1ccccc1Cl)N[C@H]1CS(=O)(=O)C[C@H]1Cl 9420705 XMZBDCNBHGLVOV-MNOVXSKESA-N 322.213 1.403 50 40 DDGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(=O)[nH]n1 5123806 MJKLRHXXGDCUGN-RQZCQDPDSA-N 308.297 1.393 50 40 DDGB C/C(=N\NC(=O)c1cc(O)ccc1O)c1c(O)cccc1O 17030758 NECXXAQILCRZME-LZYBPNLTSA-N 302.286 1.663 50 40 DDGB COCCNC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 4575562 MSAJTFYUVROJLP-UHFFFAOYSA-N 309.435 1.739 50 40 DDGB COc1ccccc1C(=O)NNc1nnc(C(C)(C)C)c(=O)[nH]1 22854055 QLHQZTVFUMPYIG-UHFFFAOYSA-N 317.349 1.228 50 40 DDGB CC(C)CCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167668 YIHRRLQSGNQXDL-NXEZZACHSA-N 313.872 1.718 50 40 DDGB C/C(=N\NC(=O)c1nonc1N)c1ccc(Br)cc1 5370227 RKEUYFZHNHOSLX-MKMNVTDBSA-N 324.138 1.568 50 40 DDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccc(O)c1 3085525 RCOAIMWPUNSTAQ-DJKKODMXSA-N 315.304 1.411 50 40 DDGB Cc1c(NS(=O)(=O)CCl)c(=O)n(-c2ccccc2)n1C 66920 BYENIONMZQHLLC-UHFFFAOYSA-N 315.782 1.422 50 40 DDGB Cc1c(C(=O)N/N=C2\C(=O)Nc3ccccc32)cccc1[N+](=O)[O-] 549574 YBBSKCJKPAOEOL-UHFFFAOYSA-N 324.296 1.989 50 40 DDGB O=C(CCNC(=O)c1ccccc1)N/N=C/c1ccccc1O 1956203 HRCAXPWHHHBCBP-XDHOZWIPSA-N 311.341 1.662 50 40 DDGB CN(NC(=O)CNC(=O)c1ccccc1F)c1ccccc1 8358060 GYDUSXRQWDYTHF-UHFFFAOYSA-N 301.321 1.723 50 40 DDGB COC(=O)/C(C#N)=C1\CCS/C(=C(/C#N)C(=O)OC)S1 299888307 DUDBFQYYUQDHJL-BRVZEXMBSA-N 310.356 1.715 50 40 DDGB COc1cc(OC)c(/C=N/NC(=O)c2ccccn2)c(OC)c1 232300 PCMFRSILNMNEHY-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB O=C(N/N=C/c1ccc(O)c(O)c1)c1nc2ccccc2c(=O)[nH]1 3288759 YXQIKQKISANWJX-CAOOACKPSA-N 324.296 1.098 50 40 DDGB CCOC(=O)CCC(=O)NNC(=O)Cc1ccc(Cl)cc1 12137204 BRDFXYDEIUTGBW-UHFFFAOYSA-N 312.753 1.373 50 40 DDGB biogenic,in-vitro C/C(=N\NC(=O)[C@H]1CCCNC1=O)c1ccc(C)c([N+](=O)[O-])c1 17027919 MOSMKDBUKMWQRG-VAKHEIKFSA-N 318.333 1.270 50 40 DDGB O=C1OC(=O)[C@@H]2CC[C@@H]([C@@H]3CC[C@@H]4C(=O)OC(=O)[C@@H]4C3)C[C@H]12 169795895 SNHKMHUMILUWSJ-UFVWWTPHSA-N 306.314 1.218 50 40 DDGB Cc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccco2)c1 3080088 YXKFAPFWWJDZTB-CAOOACKPSA-N 301.302 1.174 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@H]2CNCC=C12 20458800 UHNPDLQGSMYSLE-HOTGVXAUSA-N 301.353 1.700 50 40 DDGB COc1ccccc1CCNC(=O)NNC(=O)c1ccoc1C 40498177 XMYDNQPXNWFPHW-UHFFFAOYSA-N 317.345 1.783 50 40 DDGB COc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c(O)c1 409391637 KIYGKBLRHZUDGR-RQZCQDPDSA-N 316.313 1.966 50 40 DDGB Cc1ccn2c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cnc2c1 98013310 LSWFEXGGRXLVCZ-NRUITVPNSA-N 310.357 1.845 50 40 DDGB CS(=O)(=O)c1ccc(Oc2cccc(C(=O)NN)c2)cc1 15042848 DHKOAQPPKYYPGT-UHFFFAOYSA-N 306.343 1.486 50 40 DDGB Cc1cccc(OCC(=O)NNC(=O)c2cccc(C)c2O)c1 5942958 WYMLFDAAVGJZLH-UHFFFAOYSA-N 314.341 1.849 50 40 DDGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CCC2 51722 FKRJJYXWUMEAKB-SFHVURJKSA-N 321.336 1.916 50 40 DDGB C[C@@H](NC(=O)C(Cl)Cl)C(=O)N(CCCl)CCCl 2043757 MICNGJNDOFSIIE-ZCFIWIBFSA-N 324.035 1.601 50 40 DDGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)s1 101418738 WJBBWKPYQMPOQP-LBPRGKRZSA-N 316.338 1.720 50 40 DDGB Cn1ncc2c(NNC(=O)c3cccc([N+](=O)[O-])c3)ncnc21 4338795 BIMJOLKYICSKJA-UHFFFAOYSA-N 313.277 1.028 50 40 DDGB Cc1c(C(=O)NN=Cc2ccc(O)cc2)sc(N)c1C#N 408731204 YPUDNGIJECDTKN-UHFFFAOYSA-N 300.343 1.980 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])c(O)cc2O)o1 98031644 MIVKOIGBXLSTSX-NSIKDUERSA-N 305.246 1.671 50 40 DDGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)[C@H]2CCS(=O)(=O)C2)C1 101007216 DIIIZVSVPFFEAZ-ZHNYTEGSSA-N 310.419 1.826 50 40 DDGB CCOc1ccccc1/C=N/NC(=O)CC(=O)NCC(C)C 59435564 OGXPNWOQXCAEQS-WOJGMQOQSA-N 305.378 1.698 50 40 DDGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccncc1 409098289 OFHXIMHYFGNXJH-DEDYPNTBSA-N 324.384 1.991 50 40 DDGB O=C(CSc1ccccn1)NNC(=O)c1ccccc1F 8728848 VNCVHTSRCBPXJS-UHFFFAOYSA-N 305.334 1.774 50 40 DDGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CCl 49467122 CZYDHLJERNCTMG-ZDUSSCGKSA-N 306.749 1.833 50 40 DDGB NNC(=O)c1cnc(COc2ccccc2)nc1N1CCCC1 223460521 MXBRRWPTFDQYPE-UHFFFAOYSA-N 313.361 1.259 50 40 DDGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 493392 MKXVHXUOFVHDEZ-OVCLIPMQSA-N 316.273 1.910 50 40 DDGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2cccs2)c1 2639474 KMGHOHZBLCHVMC-UHFFFAOYSA-N 320.370 1.769 50 40 DDGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Br)s1 24306945 PBGRPUXTJKZSLW-NTSWFWBYSA-N 303.181 1.928 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1c(Cl)cccc1Cl 20248825 LQKCPNRLXIZZNP-LZYBPNLTSA-N 316.188 1.776 50 40 DDGB O=C1O[C@@H]2[C@@H](I)[C@@H]3C=C[C@@H]4C[C@H]1[C@@H]2[C@@H]43 43762142 VRDRMNZLCOLUNO-WGMOAKKNSA-N 302.111 1.784 50 40 DDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccco2)[C@H](C(=O)O)C1 2797373 PYAKEYKQNOLTRK-GHMZBOCLSA-N 306.318 1.488 50 40 DDGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1cccc(O)c1 100510168 AOBKWLHIZZXCIL-WOJGMQOQSA-N 315.329 1.797 50 40 DDGB Cc1nc2ccccc2n1Cc1nnc2n1NC(N)=C(C#N)S2 20721117 PAILXPSBYCDZNC-UHFFFAOYSA-N 324.373 1.285 50 40 DDGB Cn1c(O)c(C(=O)N/N=C/c2cccnc2)c(=O)c2ccccc21 2291463 VFPISFJTCWXRDN-VXLYETTFSA-N 322.324 1.403 50 40 DDGB C[C@@H](NC(=S)NNC(=O)c1ccncc1)c1ccccc1 4599269 FLKDRZHKIDIHKL-LLVKDONJSA-N 300.387 1.952 50 40 DDGB COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(OC)c1 2744308 IHTULSNOXUAVCB-GYKGCMEESA-N 314.341 1.888 50 40 DDGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2cccnc2)cc1)C(=O)O 39557424 BBKNRFVRQIWYAO-PBFYJAPKSA-N 313.313 1.697 50 40 DDGB N=C(N)N/N=C/c1ccc(N(CCCl)CCCl)cc1 1695717 NJQADOSDGRSLRB-RQZCQDPDSA-N 302.209 1.788 50 40 DDGB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1cccnc1 14287129 AKQNQTCOHSGXAI-IINYFYTJSA-N 313.313 1.071 50 40 DDGB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@@H]12 408722856 NXSRWXDTRUUPRL-YJTLQXIOSA-N 304.301 1.946 50 40 DDGB O=C(CNC1CCCCC1)N/N=C/c1cc([N+](=O)[O-])ccc1O 409382228 MCIJDKOUENAELU-RQZCQDPDSA-N 320.349 1.673 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc([N+](=O)[O-])c1O 409037214 SQBFXIGXKXNBFZ-VIZOYTHASA-N 319.273 1.974 50 40 DDGB CNC(=O)CN(C)C(=O)CCCO[Si](C)(C)C(C)(C)C 521396340 OGYJNNFKMOFQBK-UHFFFAOYSA-N 302.491 1.993 50 40 DDGB CC(=O)O[C@@H]1C=C(C=O)[C@@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 5373309 UKLMEFSRPRDOLD-OHFALNGGSA-N 308.374 1.820 50 40 DDGB Cc1noc(C)c1CC(=O)NNC(=O)c1ccc2c(c1)OCO2 26689774 KZWKKPGLVRDIKV-UHFFFAOYSA-N 317.301 1.024 50 40 DDGB COc1cccc(/C(C)=N/NC(=O)CSc2nncn2C)c1 5047211 ARJYYYVUXLFOLX-MHWRWJLKSA-N 319.390 1.456 50 40 DDGB O=C(NNC(=O)c1ccco1)c1cccc(N2CCCC2=O)c1 8238817 KEIQWNZKKJDRJR-UHFFFAOYSA-N 313.313 1.481 50 40 DDGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 9335452 RZLDQCPWBBEYSG-OVCLIPMQSA-N 313.273 1.908 50 40 DDGB CC(C)(C)OC(=O)NNC(=O)CNC(=O)CCC1CCCC1 95959460 MMUZOKKAAUIYGI-UHFFFAOYSA-N 313.398 1.629 50 40 DDGB Cc1cccc(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)n1 33287842 GNUMTWNYROTTNH-PXNMLYILSA-N 309.333 1.208 50 40 DDGB CCOC(=O)/C(=N\OC)c1csc(NC(=O)CCl)n1 14011242 FQFDTPSFQAZRTD-ZSOIEALJSA-N 305.743 1.234 50 40 DDGB O=C(Cc1ccccc1)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 6880700 OXUPJKRDVRALEI-OLZOCXBDSA-N 302.330 1.044 50 40 DDGB COC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409148803 RYJIBUWNAAOOIR-MRVPVSSYSA-N 308.384 1.993 50 40 DDGB C/C(=N\NC(=O)c1cccnc1)c1cccc(-n2cnnn2)c1 5494688 XBYXPCQETCTUAR-WOJGMQOQSA-N 307.317 1.211 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)C[n+]2ccccc2)c1 2705161 HRWYOCKVUNXRMJ-GZTJUZNOSA-O 300.338 1.142 50 40 DDGB CC1=C(n2cnc([N+](=O)[O-])c2)[C@H](c2cccnc2)C(C#N)=C(N)O1 339818 IORZIOAIZJQHPR-CYBMUJFWSA-N 324.300 1.883 50 40 DDGB CCn1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c(C)n1 12649665 LVVGLUPSWGBGED-APSNUPSMSA-N 300.318 1.704 50 40 DDGB COc1ccccc1/C=N/NC(=O)CSc1ncccn1 408782754 JCFOYEAQQHUXOZ-RQZCQDPDSA-N 302.359 1.728 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2cnc3ccccc3n2)c(C)o1 8767883 PBDNIXYAVGTILD-UHFFFAOYSA-N 310.313 1.914 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@@H]2COCC=C12 20026691 OHNMABALIOWWMV-HUUCEWRRSA-N 303.325 1.522 50 40 DDGB CO[C@@H]1O[C@H](CI)[C@H]2OC(C)(C)O[C@H]21 35995238 AAEYGFITCYWQDV-WCTZXXKLSA-N 314.119 1.313 50 40 DDGB COC(=O)[C@H](C#N)[C@H](C/C(C)=N\NC(N)=O)c1ccccc1 5080887 RBIZOUCDKRPSKO-NPIKUROSSA-N 302.334 1.517 50 40 DDGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1 7813001 XIFVJQJCMJJJRA-MBNTZHJCSA-N 311.341 1.720 50 40 DDGB COCCCNC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1 59435581 NSNHIBGTFUPJQQ-UHFFFAOYSA-N 311.426 1.848 50 40 DDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(=O)[nH]c1 13778751 OFKHNZVBDHTLAM-UHFFFAOYSA-N 321.720 1.112 50 40 DDGB Cc1ccc(/C=C(\C#N)C(=O)NCCCN2CCOCC2)cc1 16791036 XCQNYPNHZQFTOX-GHRIWEEISA-N 313.401 1.741 50 40 DDGB O=C(CN1CCN(C(=O)CCl)CC1)Nc1cccc(F)c1 34781280 FKIFZSLPGFCIHF-UHFFFAOYSA-N 313.760 1.147 50 40 DDGB CCc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1 225500312 STEAKHBHJKSTEM-UHFFFAOYSA-N 319.386 1.653 50 40 DDGB C[C@H](O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 478762 QYTVNAXDGAUCFL-MBLXYFMPSA-N 315.123 1.009 50 40 DDGB CC(=O)O[C@@H]1CN[P@](=O)(N(CCCl)CCCl)OC1 1566970 RSGNOCXDOXSDGD-DYBLOJMWSA-N 319.125 1.426 50 40 DDGB CCCCNC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 409134130 NGWWKHCKFPTWNW-LICLKQGHSA-N 307.350 1.070 50 40 DDGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc([N+](=O)[O-])c1O 35582345 QSJTTXBWQBZXQU-ONNFQVAWSA-N 305.290 1.741 50 40 DDGB Cc1ccn2cc(C(=O)NNC(=O)c3ccccc3O)nc2c1 40007607 CWDXTDIWWCWKDV-UHFFFAOYSA-N 310.313 1.423 50 40 DDGB COc1ccnc(NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)n1 46364922 QKKQMAXWMBUMJG-RNCFNFMXSA-N 316.317 1.157 50 40 DDGB CCn1ncc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 355773 DDYBEBHEMNAVGT-CXUHLZMHSA-N 315.333 1.812 50 40 DDGB CCOC(=O)/C(C#N)=C/c1[nH]c(C)c(C(=O)OCC)c1OC 431818 QFIOTJDDOGPYQV-JXMROGBWSA-N 306.318 1.979 50 40 DDGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccccn1 100150054 VDSXHBBWAMHYAF-HIPSJFSSSA-N 321.340 1.836 50 40 DDGB C/C(=N/NC(=O)CCn1nnc2ccccc21)c1ccc(N)cc1 544805 WGLMNHYAOLSARI-UNOMPAQXSA-N 322.372 1.944 50 40 DDGB CCCCN(C)c1ccc(C(=O)NNC(=O)c2cn[nH]n2)cc1 69658174 CXTBIJNOKDPDBL-UHFFFAOYSA-N 316.365 1.116 50 40 DDGB Cc1cccc(CN2CCCC[C@@H]2C(=O)NNC(=O)C2CC2)c1 69669501 ADVYEJDSQWGGGU-MRXNPFEDSA-N 315.417 1.907 50 40 DDGB CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccncc2)n1 13625510 KCYMBPZAYRFQFE-UHFFFAOYSA-N 323.765 1.322 50 40 DDGB CN(C)c1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1 4598810 AWCPTZSWEXNWAC-UHFFFAOYSA-N 301.321 1.967 50 40 DDGB COc1ccc([C@H](O)[C@H](Br)S(C)(=O)=O)cc1 96519060 JAFLBRAQGZVBMP-VHSXEESVSA-N 309.181 1.494 50 40 DDGB CNC(=O)/C(C#N)=C1/NC(=O)[C@H](Cc2ccc(F)cc2)S1 4539960 KNZXEMZMLSWMHY-HKLRHMNMSA-N 305.334 1.081 50 40 DDGB COc1cccc(OC)c1/C=N/NC(=O)C(=O)NC1CCCC1 6583656 HYOUZAUZGAUQOW-LICLKQGHSA-N 319.361 1.213 50 40 DDGB Cc1nnc2n(c1=O)[C@@H](CI)CS2 23118597 JHOYWSKWLAKHQI-YFKPBYRVSA-N 309.132 1.029 50 40 DDGB COc1cccc(C(NC(=O)CCl)NC(=O)CCl)c1 3668354 FZLVWQXMBLPGJD-UHFFFAOYSA-N 305.161 1.404 50 40 DDGB C[C@@H]1CN([C@H](C)C(=O)NNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 13119831 MQTAUJSXOJZCIC-IJLUTSLNSA-N 323.368 1.084 50 40 DDGB COc1ccccc1N(C(=O)CCl)C1=CS(=O)(=O)CC1 40177678 IZOQZEBFKATOEN-UHFFFAOYSA-N 315.778 1.927 50 40 DDGB COc1ccc(C(=O)[C@@H](Br)S(C)(=O)=O)cc1 96517860 SHDHCSGATMFEIG-JTQLQIEISA-N 307.165 1.644 50 40 DDGB COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1O 3375881 SEVOSDCOCZONSQ-CAOOACKPSA-N 314.297 1.893 50 40 DDGB COc1cccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1O 36955 XFRPUJHVXZNITF-YQCJOKCJSA-N 302.330 1.603 50 40 DDGB CCOC(=O)N/N=C1/C[C@H](C(=O)OC)CN1Cc1ccccc1 1018671 UGWRTRVRVLGKAM-FSLWVPIDSA-N 319.361 1.741 50 40 DDGB O=C1OC(=O)[C@]2(Br)[C@@H]3C=C[C@H](C3)[C@@]12Br 104184003 GJFXBTXPLZPKBO-ILCAFMNSSA-N 321.952 1.543 50 40 DDGB COc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216957451 FNPPNTFDJZZRRV-UHFFFAOYSA-N 309.325 1.942 50 40 DDGB C[C@H](NC(=S)NNC(=O)c1ccncc1)c1ccccc1 4599268 FLKDRZHKIDIHKL-NSHDSACASA-N 300.387 1.952 50 40 DDGB CSc1ncc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1 4815348 XDDCJEMIPURRAS-UHFFFAOYSA-N 305.319 1.864 50 40 DDGB O=C(Cc1ccccc1)NN[C@@H](C(=O)NC1CC1)c1ccccc1 8777910 PVNFGSMWECUFRY-GOSISDBHSA-N 323.396 1.870 50 40 DDGB C[C@H](NNC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 3124210 BUAKUIUDOGPUGT-NSHDSACASA-N 308.341 1.919 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1O 58900353 RUQCWXVSXMPDMY-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB COc1ccc(/C=N/NC(=O)C[n+]2ccccc2)cc1OC 2705203 ASZAYPWVBJFQGC-GZTJUZNOSA-O 300.338 1.142 50 40 DDGB Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1cccnc1 29055509 OTBKMFSOQOGSQB-UHFFFAOYSA-N 324.262 1.879 50 40 DDGB CCC(=O)NNc1cc(N2CCCC2)nc(N2CCCC2)n1 78523 VNLAGGRCERYXFQ-UHFFFAOYSA-N 304.398 1.530 50 40 DDGB COc1ccc(C(=O)Nc2ccccc2C(=O)NN)cc1OC 5514212 GQZBUVGCGWMQPE-UHFFFAOYSA-N 315.329 1.560 50 40 DDGB O=C(NNC(=O)C1CCN(c2ccc(Cl)cn2)CC1)C1CC1 32484967 SWBXYTOVNXTYOW-UHFFFAOYSA-N 322.796 1.509 50 40 DDGB COC(=O)[C@H](Br)[C@@H](O)c1ccc(OC)c(OC)c1 1673144 RYYMZWXGKKBRNJ-MNOVXSKESA-N 319.151 1.674 50 40 DDGB C/C(=N/NC(=O)Cn1cncn1)c1ccc(Br)cc1 547281 DLKLVXNEJGWRCQ-SXGWCWSVSA-N 322.166 1.581 50 40 DDGB O=C(COC(=O)c1ccc[nH]1)NNC(=O)c1ccccc1Cl 9747415 LVHBQXHYRBMURO-UHFFFAOYSA-N 321.720 1.286 50 40 DDGB COc1cccc(/C=N/NC(=O)CN2CCCCC2)c1OC 20248017 IYZBZRWWLOOXAL-GZTJUZNOSA-N 305.378 1.640 50 40 DDGB CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408719441 FDLDXOFFKIKXIM-GZTJUZNOSA-N 303.362 1.548 50 40 DDGB Cc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 40177551 CISGZGCZRYDNGT-LBPRGKRZSA-N 301.795 1.754 50 40 DDGB CC[C@@H](NNC(=O)c1ccccn1)C(=O)Nc1cc(C)on1 14185260 HTNJDMTXWQUPOJ-SNVBAGLBSA-N 303.322 1.030 50 40 DDGB CCCc1c(/C=C(\C#N)C(N)=O)c(OC)c2c(c1OC)OCO2 15084723 UDXBEWJHHWIUFT-RMKNXTFCSA-N 318.329 1.777 50 40 DDGB O=C(CCC(=O)c1cccs1)NNC(=O)c1ccccc1O 12868164 XLDKQHNHAVGVGQ-UHFFFAOYSA-N 318.354 1.878 50 40 DDGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cccnc1 13004859 MOICWUZVAPXZGU-UHFFFAOYSA-N 308.341 1.957 50 40 DDGB O=C(CCl)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 13142400 ZLURZUOKHVNOTM-UHFFFAOYSA-N 315.782 1.335 50 40 DDGB CCOC(=O)[C@@H]1[C@H]2C[C@H](OC2=O)[C@H](Br)[C@@H]1Cl 100951943 JKKDXLXBGLGRJZ-RZUNNTJFSA-N 311.559 1.482 50 40 DDGB Cn1nccc1C(=O)N/N=C\c1cc(Br)ccc1O 55345811 WLHXTYQQNRVAGZ-AUWJEWJLSA-N 323.150 1.652 50 40 DDGB O=C(CN1Cc2ccccc2C1)N/N=C/c1ccc(C(=O)O)cc1 409204404 GTVXPAOHCIXDDG-DJKKODMXSA-N 323.352 1.851 50 40 DDGB CC(=N\NC(=O)c1ccco1)/C(=N/O)C(=O)Nc1ccccc1 4785131 UOTMDLMFMXFXQF-HVFGMAQXSA-N 314.301 1.854 50 40 DDGB CCc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)cc1 409027818 SJKILDPGLJDRCU-UHFFFAOYSA-N 311.407 1.527 50 40 DDGB COCCc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1 226031009 IVTDMWPJURGQCV-UHFFFAOYSA-N 307.781 1.982 50 40 DDGB COC(=O)NNC(=O)NC1CCN(Cc2ccccc2)CC1 40497832 UVTLGYVUDXSISS-UHFFFAOYSA-N 306.366 1.221 50 40 DDGB Cc1nnc(NNC(=O)c2ccc(Br)cc2)nc1O 11335069 BYGSFHBTZLEHTL-UHFFFAOYSA-N 324.138 1.405 50 40 DDGB COc1ccnc(NNC(=O)c2cc3ccccc3oc2=O)n1 46363353 ODPHLGILZQIKKC-UHFFFAOYSA-N 312.285 1.349 50 40 DDGB C/C(=N\NC(=O)CNC(=O)/C=C/c1ccco1)c1ccccc1 5005607 CFXZRVJTVAPNCY-OHNABYMDSA-N 311.341 1.949 50 40 DDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 47295170 JYKRAAKXHWEEJM-NHUVTHAKSA-N 321.377 1.406 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101811396 KYUFSQOANSYQJK-MMWGEVLESA-N 320.370 1.340 50 40 DDGB CCOC(=O)[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccccc1 1602617 PBDNSVIBFFNKTR-VHSXEESVSA-N 320.172 1.572 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1OC 7869786 MKNVUWKGQOKNSU-LICLKQGHSA-N 319.361 1.235 50 40 DDGB N#C/C(C(=O)Cn1cnc(C#N)n1)=C1\Nc2ccccc2S1 104750353 RRICFRYVPGXSOX-ZROIWOOFSA-N 308.326 1.672 50 40 DDGB CC(C)[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)NN 5847005 FQMOKZGTUUTELV-INIZCTEOSA-N 319.405 1.075 50 40 DDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 408970911 APOPGQNVJFNUPA-VCBXAZPMSA-N 307.350 1.069 50 40 DDGB C=CCNC(=O)/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1 33421902 MQICVLOGHLMRCO-GHXNOFRVSA-N 302.330 1.922 50 40 DDGB NNC(=O)[C@H]1CN(C(=O)Cc2ccccc2)c2ccccc2O1 225329047 PQDCVTUYXXGOTO-OAHLLOKOSA-N 311.341 1.013 50 40 DDGB CCOC(=O)NNS(=O)(=O)c1ccc(Cl)nc1Cl 58401858 GTUKXEZBUKBOQT-UHFFFAOYSA-N 314.150 1.328 50 40 DDGB O=C(CC(=O)N/N=C/c1cccs1)NCCc1ccccc1 59516046 HWBGOXKQTNDOHW-LDADJPATSA-N 315.398 1.947 50 40 DDGB N#C/C(=C/c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 3254211 BGXRXNDIUCSHNL-SSZFMOIBSA-N 319.368 1.732 50 40 DDGB COC(=O)c1ccc(COc2ccc(/C=N/NC(N)=O)cc2)o1 2309107 VWGVMGOBSKCXEK-CAOOACKPSA-N 317.301 1.647 50 40 DDGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 6786699 LKWLTNUSKAYRFV-RQZCQDPDSA-N 310.292 1.565 50 40 DDGB CN(C)c1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1 11297761 MTQIVEWDNXOALS-FMIVXFBMSA-N 309.377 1.650 50 40 DDGB Cc1nc(C)c(CC(=O)N/N=C/c2ccc(F)cc2)c(=O)[nH]1 6645834 HWGBQMVPOKURNX-CAOOACKPSA-N 302.309 1.219 50 40 DDGB CCOc1cc(/C=C(\C#N)C(=O)OC)ccc1OCC(N)=O 2768573 KFRCGPOBERQFPS-IZZDOVSWSA-N 304.302 1.029 50 40 DDGB Cc1cc(C(=O)NNC(=O)COc2ccc3ccccc3c2)[nH]n1 586888 OZDPZSVCKUVGNO-UHFFFAOYSA-N 324.340 1.711 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)on1 12690272 QNFISZLNAMNWDA-UHFFFAOYSA-N 303.318 1.845 50 40 DDGB Cc1cc(C)n2ncc(C(=O)NNC(=O)Cc3ccccc3)c2n1 40498095 HAILSUMWVLFACD-UHFFFAOYSA-N 323.356 1.350 50 40 DDGB C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc([N+](=O)[O-])cc1 130508 NESXUXRBROSOHL-FOWTUZBSSA-N 315.333 1.949 50 40 DDGB Cc1cc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)[nH]n1 257689 BIKDOHKSXGFZBG-LHHJGKSTSA-N 317.261 1.119 50 40 DDGB CCc1nnsc1C(=O)NNC(=O)c1ccccc1Cl 36393158 BNKKXBBUAYJLPP-UHFFFAOYSA-N 310.766 1.829 50 40 DDGB C=CCc1cc(C(=O)NNC(=O)OCC)cc(OC)c1OC 37124446 VTJUROPHTRZLMM-UHFFFAOYSA-N 308.334 1.823 50 40 DDGB COCCOC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1 285645612 WVHIUHYYQXSQTA-NASPGAHYSA-N 319.313 1.635 50 40 DDGB CCCCC(=O)NN[C@@H]1OC(=O)c2c1ccc(OC)c2OC 5375383 VYRSATKIUBEJJE-CQSZACIVSA-N 308.334 1.684 50 40 DDGB N#C/C(=C\c1c(S(=O)(=O)O)sc2ccccc12)C(N)=O 1701069 TULNRTDBGLXIGW-FNORWQNLSA-N 308.340 1.540 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2cccc(C)c2O)cc1 289932 AZRXMSXOBQQBML-UHFFFAOYSA-N 300.314 1.784 50 40 DDGB Cc1ccc(OCC(=O)N/N=C/c2ccccn2)c([N+](=O)[O-])c1 4775398 PFOLVPJLRAXIGI-RQZCQDPDSA-N 314.301 1.827 50 40 DDGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cccc(O)c1 409068862 JQOLKEHQQHNZCL-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB O=C(CCl)N(c1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 40177642 KCZLDIVAMLZYDK-SNVBAGLBSA-N 303.767 1.151 50 40 DDGB CCc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1 575425322 XYYGQGUARGXDHV-BDAKNGLRSA-N 322.839 1.836 50 40 DDGB CCc1ccc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)cc1 3451231 OXDGQZVWVCVMRZ-UHFFFAOYSA-N 323.352 1.961 50 40 DDGB CN(C)C(=O)[C@H]1C(=S)NC(N)=C(C#N)[C@@H]1c1cccs1 1412627 YJLIZTVLEUBDND-NXEZZACHSA-N 306.416 1.161 50 40 DDGB CCCNC(=O)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 4673160 URUVXXLWILMDDH-MHWRWJLKSA-N 306.322 1.617 50 40 DDGB O=C(NNC(=S)NC(=O)c1ccco1)c1ccc(Cl)cc1 5676847 LLDRMYMKXBUUDH-UHFFFAOYSA-N 323.761 1.882 50 40 DDGB O=C(CN1CCCC1)N/N=C/c1ccc(N2CCOCC2)cc1 4091489 DMBLPNHNBKFOIA-QGOAFFKASA-N 316.405 1.069 50 40 DDGB COc1ccc(C/C(C)=N/NC(=O)C(=O)N2CCCCC2)cc1 4690153 BPOSVZUGLHCXGI-QGOAFFKASA-N 317.389 1.742 50 40 DDGB CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 409124915 CAADCJLTGDXQCW-YBFXNURJSA-N 311.341 1.462 50 40 DDGB C[C@](Cl)(CCl)C(=O)NCNC(=O)[C@@](C)(Cl)CCl 1666960 OMSDDUZIPIHGHV-IUCAKERBSA-N 324.035 1.649 50 40 DDGB O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)NC1CC1 4600254 ZGSWNTXELRRYMT-GIDUJCDVSA-N 300.145 1.722 50 40 DDGB CC(C)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 409003597 TUWJUKFELPTOIN-RQZCQDPDSA-N 305.378 1.696 50 40 DDGB CCCCSC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167672 ULSVODCLFKAYGY-JGVFFNPUSA-N 301.886 1.799 50 40 DDGB Cn1ccc(C(=O)N/N=C/c2ccc(Br)cc2)n1 31037 XORNQOJHPRYSOT-RIYZIHGNSA-N 307.151 1.947 50 40 DDGB C[C@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CS(=O)(=O)O 100020549 MFEDKMBNKNOUPA-ZRUAGYDASA-N 311.197 1.643 50 40 DDGB in-vitro COc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1 60927 CURREONPYJVPLK-UHFFFAOYSA-N 314.297 1.468 50 40 DDGB O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(O)cc1 46095 NDVVRHYEGGZEKX-UHFFFAOYSA-N 300.270 1.165 50 40 DDGB Cc1nc(N)sc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 12372707 HPTXGRDJXYEOLJ-MKMNVTDBSA-N 305.319 1.706 50 40 DDGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc([N+](=O)[O-])cc1 1952858 JPULJIXTTBXLFC-LZYBPNLTSA-N 316.273 1.068 50 40 DDGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 5946502 AQXOZVAXBGXSFA-UHFFFAOYSA-N 321.314 1.218 50 40 DDGB N#Cc1ccccc1OCC(=O)NNC(=O)c1ccc(F)cc1 15978383 WANQFMTZEALCCT-UHFFFAOYSA-N 313.288 1.537 50 40 DDGB CNC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409008649 ZHKSIIVVNNJXHH-WQLSENKSSA-N 316.317 1.084 50 40 DDGB C[C@@]1([N+](=O)[O-])C[P@](=O)(OCCCl)C[C@]1(C)[N+](=O)[O-] 254841082 KGOQRHTVAHATBZ-TYIBKMIFSA-N 300.635 1.604 50 40 DDGB N#CCOc1ccccc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 5007668 UAKGWKATNVDXDH-YVGNARHYSA-N 311.341 1.791 50 40 DDGB O=C1CC[C@@]2(C[C@@H](Br)C(=O)c3ccccc32)C(=O)N1 1870391 WCPWFRUJLWZRLS-YGRLFVJLSA-N 322.158 1.711 50 40 DDGB CCOC(=O)NNC(=O)CCc1nnc(-c2ccccc2)o1 36618293 NQISMKFTEXIWJJ-UHFFFAOYSA-N 304.306 1.447 50 40 DDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccco1 12996237 KUCUOQIEMPADIT-NSHDSACASA-N 320.320 1.966 50 40 DDGB NNC(=O)c1[nH]c2ccccc2c1I 44676169 OUHZIQURAQZQPE-UHFFFAOYSA-N 301.087 1.376 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NC(C)C)cc1 59515303 KLKGCEGXFOCHOJ-GZTJUZNOSA-N 303.362 1.616 50 40 DDGB O=C(NN=C1CCCCCCC1)N[C@@H]1CCS(=O)(=O)C1 70014675 MYOFKXWVMASQEY-GFCCVEGCSA-N 301.412 1.573 50 40 DDGB COc1cccc([C@H]2C(C#N)=C(O)NC(=O)[C@@H]2[n+]2ccccc2)c1 4762963 MRTBJSPUUJDZJT-JKSUJKDBSA-O 322.344 1.731 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@H]2COCC=C12 19851528 OHNMABALIOWWMV-LSDHHAIUSA-N 303.325 1.522 50 40 DDGB CCc1ccc2c(c1)/C(=N/NC(C)=O)C(=O)N2C1CSC1 223725928 DDXNKMUHWRGKRT-VKAVYKQESA-N 303.387 1.551 50 40 DDGB O=C(CCl)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 1772715906 XXXXQXVKMPGBGZ-UHFFFAOYSA-N 305.765 1.691 50 40 DDGB Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(C)o1 10283208 PWHVRDHNEVZEBE-UHFFFAOYSA-N 322.342 1.576 50 40 DDGB O=C(N/N=C/c1ccco1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409166191 BYNHDNCGBYNGMJ-PBFYJAPKSA-N 315.304 1.922 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 4798209 ALRTXKGJKFTQFE-QGOAFFKASA-N 316.405 1.605 50 40 DDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccnc1 59434003 WZILPVKKNHERIP-VCHYOVAHSA-N 312.329 1.487 50 40 DDGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1 2136073 NNGMCMYHQMJNSX-UHFFFAOYSA-N 321.402 1.114 50 40 DDGB O=C(CC(=O)N/N=C\c1ccccc1F)NCc1ccccc1 408754442 UNPZCZYESZTXLC-NDENLUEZSA-N 313.332 1.982 50 40 DDGB COc1cccc(C(=O)NNC(=O)c2ccc(O)c(O)c2)c1 290291 BOJQZVQKBFLVET-UHFFFAOYSA-N 302.286 1.181 50 40 DDGB CC1=C(C#N)[C@@](NC(=O)c2ccccc2C)(C(F)(F)F)C(=O)N1 5092345 VFMPEAZNFVYMCK-AWEZNQCLSA-N 323.274 1.953 50 40 DDGB C/C(=N/NC(=O)[C@@H]1CCCNC1=O)c1ccc(C)c([N+](=O)[O-])c1 4729019 MOSMKDBUKMWQRG-HJPCULJESA-N 318.333 1.270 50 40 DDGB N#C/C(=C\N1CCC(C(N)=O)CC1)C(=O)Nc1ccc(F)cc1 30791199 XDDZXQDIWRXTOD-ZRDIBKRKSA-N 316.336 1.369 50 40 DDGB COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(OC)c1 2744306 IHTULSNOXUAVCB-YCPFAOKUSA-N 314.341 1.888 50 40 DDGB COC(=O)CCCCCNC(=S)NNC(=O)c1ccccc1 2626429 LRCSOQPATXRAKA-UHFFFAOYSA-N 323.418 1.529 50 40 DDGB C/C(=N\NC(N)=O)[C@]1(C)N(O)C(C)(C)C(c2ccc(C)o2)=[N+]1[O-] 7813282 CXWFAWRNHAIOTP-FSEGOYHTSA-N 323.353 1.131 50 40 DDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(F)cc1 3081881 ZALODVRXOKDCNY-AWQFTUOYSA-N 317.295 1.845 50 40 DDGB NC(=O)[C@@H](NNC(=O)Cc1ccc(F)cc1)c1ccccc1 26222405 ILSHPCGRORKGSG-HNNXBMFYSA-N 301.321 1.216 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)Nc1ccccc1 6339779 ORQOZKVDQYLLTO-VXGBXAGGSA-N 305.334 1.730 50 40 DDGB CCOC(=O)N/N=C(/C)c1ccc(OCC(=O)N(C)C)cc1 38376253 UPWSYXVKXPWVOA-WJDWOHSUSA-N 307.350 1.624 50 40 DDGB CCC(=O)NNC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 4278792 OVXJWRNRGQYYHN-LKBWSCCASA-N 321.421 1.265 50 40 DDGB NN(C[C@H](O)COc1ccccc1)C(=O)c1ccccc1O 6575476 BWYYSYZFKKDWED-LBPRGKRZSA-N 302.330 1.148 50 40 DDGB COCCCNC(=S)NNC(=O)c1cn(C)c2ccccc12 2809104 WIZRPGBQUFREFN-UHFFFAOYSA-N 320.418 1.324 50 40 DDGB CC(C)NC(=S)NNC(=O)c1ccc(NC(=O)CC#N)cc1 6998006 QVSCLOHWZBMRLD-UHFFFAOYSA-N 319.390 1.056 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccncc2)c(OC)c(OC)c1 16194662 HJAGLUVQUYYYAE-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1 195818 YVDAFCGSNNKFKG-RQZCQDPDSA-N 324.344 1.514 50 40 DDGB CC(C)c1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1 527719 QEZNYWJORFQKDY-UHFFFAOYSA-N 314.345 1.440 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)[C@@]2(C)CC2(Cl)Cl)n1 22440077 BMEUSJGZOAGYKO-LLVKDONJSA-N 319.192 1.231 50 40 DDGB O=C(NNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 104384176 AAYZOBLLMVJFNM-UHFFFAOYSA-N 324.074 1.529 50 40 DDGB COCCCNC1=C(C#N)C(=O)N[C@@H](c2cccs2)S1 20414024 NOMDHHAOZCDIQV-CYBMUJFWSA-N 309.416 1.971 50 40 DDGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)NN)o1 226257347 ZCYMZFZNHYUEPM-QPJJXVBHSA-N 303.274 1.867 50 40 DDGB C=C[C@@H]1O[C@@H]2[C@@H](OCCCl)O[C@@H]3CO[C@@H](C=C)O[C@H]3[C@@H]2O1 4285569 GCERILMWXXKMLZ-QPQKLBPSSA-N 318.753 1.190 50 40 DDGB Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)[C@@H]1CCCO1 32261069 GLQONRAYHZLLJD-VIFPVBQESA-N 321.358 1.652 50 40 DDGB COc1cccc(C(=O)NNC(=O)Cc2nc3ccccc3[nH]2)c1 12546505 RIFAGODRZOATGY-UHFFFAOYSA-N 324.340 1.575 50 40 DDGB O=C(COC(=O)c1ccccc1F)NNC(=O)c1ccccc1 3523723 QZXXQSFMPRTFMX-UHFFFAOYSA-N 316.288 1.444 50 40 DDGB COC(=O)[C@H](C#N)[C@@H](C/C(C)=N/NC(N)=O)c1ccccc1 16927181 RBIZOUCDKRPSKO-FQMMZHFNSA-N 302.334 1.517 50 40 DDGB CCC(=O)NNC(=O)CSc1nnc(-c2ccco2)n1CC 4882086 QJBLRZAXXOOVIY-UHFFFAOYSA-N 323.378 1.208 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NC2CCCC2)c1 6998753 IFKOXVFYBIRWPM-LICLKQGHSA-N 319.361 1.213 50 40 DDGB COc1ccccc1CC(=O)NNC(=O)c1cc(C)oc1C 5062739 PDQYVKKAPRMXAM-UHFFFAOYSA-N 302.330 1.909 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)C[C@H](C)C2)cc1 18708767 VUXQGOADQYJPHK-KBPBESRZSA-N 303.406 1.734 50 40 DDGB CCc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(C#N)=C(N)O2 9088947 ZCPWWNZWHUWBSX-UHFFFAOYSA-N 316.361 1.613 50 40 DDGB N#CC1=C[C@H]2[C@H]3C=C[C@H]3[C@@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 45070676 MCWUOCOGSGOHEN-LJISPDSOSA-N 304.309 1.162 50 40 DDGB O=C1NC(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]12 5083219 UBQKDQAIOTYQCR-OMMKOOBNSA-N 310.973 1.196 50 40 DDGB O=C(NNC(=O)c1c(O)[nH]c2ccccc2c1=O)c1ccccc1 17028877 WTYAIIYIQSJVCT-UHFFFAOYSA-N 323.308 1.309 50 40 DDGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccncc1 525183 UNISIRIZBFRQTP-GFCCVEGCSA-N 319.748 1.945 50 40 DDGB COc1ccc(/C=N/NC(N)=O)cc1OC(=O)c1ccccc1 408889759 GXENPCFBDVPHKY-VCHYOVAHSA-N 313.313 1.917 50 40 DDGB COc1ccccc1NC(=O)[C@@H](C)NNC(=O)c1ccccc1 8735807 FOKXKDGXIRHXMA-GFCCVEGCSA-N 313.357 1.957 50 40 DDGB COc1cc(OC)nc(N/C=N/OC(=O)C(C)(C)CCl)n1 4624955 ZGIOIDRZCHYJGC-UHFFFAOYSA-N 316.745 1.657 50 40 DDGB C[C@@H](CCc1ccco1)NC(=O)NNC(=O)c1cccnc1 32779697 NYKOJZOZOXPTGN-NSHDSACASA-N 302.334 1.640 50 40 DDGB COc1cc(/C=N/NC(=O)CC#N)cc(Cl)c1OCC#N 4739394 URBOLAZEWNEAHK-CAOOACKPSA-N 306.709 1.615 50 40 DDGB O=S(=O)(N[C@H](CCl)CBr)c1ccccc1 104103508 AXDRJPPWZRLZRT-QMMMGPOBSA-N 312.616 1.967 50 40 DDGB C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1ccc(F)cc1 58009919 QAMPMQJGYGEIAD-ZWNOBZJWSA-N 310.325 1.171 50 40 DDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@@H]2C1 4083174 PZGOPBIQVXKEIF-CVEARBPZSA-N 316.368 1.437 50 40 DDGB C/C(=N/NC(=O)[C@H]1CCCNC1=O)c1ccc(C)c([N+](=O)[O-])c1 4729020 MOSMKDBUKMWQRG-NJPLLEPOSA-N 318.333 1.270 50 40 DDGB CCN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2ccccc21 5911729 JRJNCRYSTBNLER-XDJHFCHBSA-N 308.341 1.891 50 40 DDGB O=C(NNC(=O)c1ccccc1)/C(O)=C/C(=O)c1ccccc1 18209277 FGCJCFJTDFGOIK-PTNGSMBKSA-N 310.309 1.772 50 40 DDGB CCOC(=O)/C(C#N)=C/N[C@@H]1CCCN(c2ncccn2)C1 102140280 KVKJWWATOXAYHH-RSKUSDAESA-N 301.350 1.006 50 40 DDGB CCOC(=O)NNC(=O)CCc1c(C)nc(SC)nc1C 21772162 YYUCFMWJBITLGL-UHFFFAOYSA-N 312.395 1.525 50 40 DDGB CCOc1cc(/C=N/NC(=O)CC#N)ccc1OCC(=O)OC 567438 CNUWIQDHHCGMJE-RQZCQDPDSA-N 319.317 1.001 50 40 DDGB CCOc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1 3277372 OFBQYWPRWNNICQ-UHFFFAOYSA-N 310.331 1.302 50 40 DDGB Cc1ccccc1C(=O)NNC(=O)CC1(C(=O)O)CCCC1 13250841 JXWWDKVEOIGZPP-UHFFFAOYSA-N 304.346 1.791 50 40 DDGB Cc1ccccc1OCC(=O)NNC(=O)COc1ccccc1 5549261 UEICXZDJOQGLIU-UHFFFAOYSA-N 314.341 1.600 50 40 DDGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)N1CCCCC1 16732978 YZQFZEGSGPENBS-GXDHUFHOSA-N 313.357 1.470 50 40 DDGB C=CCNC(=O)/C(C#N)=C/c1csc(N(CC)C(C)=O)n1 53625208 GKIYXXCGTNIUJZ-YRNVUSSQSA-N 304.375 1.725 50 40 DDGB CCOC(=O)/C(C#N)=C(\O)c1ccc(N2C(=O)CCC2=O)cc1 103542934 RGYUCPASACMAEZ-QINSGFPZSA-N 314.297 1.696 50 40 DDGB CCOc1ccccc1/C=N/NC(=O)C(=O)NC1CCCC1 59435522 JEHNTCALKAMUSG-GZTJUZNOSA-N 303.362 1.594 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)COc1ccc(Cl)cc1 103110282 WXRMRYMALHHSIV-XFXZXTDPSA-N 308.721 1.587 50 40 DDGB O=S1(=O)C=C[C@@H](NC(=S)OC(CCl)CCl)C1 59568372 NGNUXNWLROOBIR-ZCFIWIBFSA-N 304.220 1.034 50 40 DDGB N#CC(C#N)=C(N)[C@@H](C#N)CC(=O)N1CCCc2ccccc21 6315870 XHVLHXTXEAZEJI-CYBMUJFWSA-N 305.341 1.756 50 40 DDGB NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 226319437 TTYASVCPWCFEMF-UHFFFAOYSA-N 305.265 1.916 50 40 DDGB CCc1nnc(NC(=O)CCc2nc(CCl)no2)s1 95470274 WGCKPZPVQXCFLS-UHFFFAOYSA-N 301.759 1.794 50 40 DDGB CC(=O)Oc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 58318 UJYDXGKMPAMBMG-AWEZNQCLSA-N 310.313 1.862 50 40 DDGB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)O)C(=O)[C@@H]2Br 100021105 XUJHKPSBHDQIOD-XSSZXYGBSA-N 311.197 1.643 50 40 DDGB Cc1nnc(NNC(=O)c2cc3c(F)cccc3s2)[nH]c1=O 22383349 YFPUNOWJLPLSML-UHFFFAOYSA-N 319.321 1.584 50 40 DDGB COc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)cc(OC)c1OC 100488033 DLNUWJHYXADSAW-NYYWCZLTSA-N 310.313 1.879 50 40 DDGB Cn1cc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cn1 11296971 QBVXDKHEKOGFTE-KPKJPENVSA-N 318.344 1.995 50 40 DDGB CNC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408997038 LBCOKEGWRSRLIK-XYOKQWHBSA-N 316.317 1.084 50 40 DDGB CCOC(=O)c1ccc(N2N=C(N)[C@@H](SC#N)C2=O)cc1 16687848 SUULHQWUOGVQFT-SNVBAGLBSA-N 304.331 1.065 50 40 DDGB NNC(=O)CSc1cc(N)nc(-c2cccc(Cl)c2)n1 223463508 MKRJKGBQUDFEOF-UHFFFAOYSA-N 309.782 1.461 50 40 DDGB COCC(=O)N/N=C(\C)CC(=O)Nc1ccc(OC)cc1OC 5288202 MTLCZSOUOFBQJI-LICLKQGHSA-N 323.349 1.171 50 40 DDGB O=S1(=O)CC[C@H](CNC(=S)OC(CCl)CCl)C1 59568379 GZNBUYIOQZBSGQ-SSDOTTSWSA-N 320.263 1.158 50 40 DDGB CCc1n[nH]c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 4453403 GCFBQCLCBDJAGR-CYBMUJFWSA-N 312.329 1.904 50 40 DDGB biogenic,in-vitro COC(=O)[C@@]1(NC(C)=O)C[C@@H](C)C(Br)=C(C#N)O1 4267394 PZALUIGLSDVSNC-KSBSHMNSSA-N 317.139 1.178 50 40 DDGB biogenic CCn1ncc(/C=N/NC(=O)[C@H](C)n2cc(Cl)cn2)c1F 252493888 NFYXCTGFMWOTHG-GUMBRNIASA-N 312.736 1.603 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)CC2(C)OCCO2)c1 5303592 MFPCLFNVEADACY-MHWRWJLKSA-N 308.334 1.307 50 40 DDGB CCOc1ccc(-n2nnnc2CNC(=O)NCCCl)cc1 10594687 HKRXWMHYDBUJHG-UHFFFAOYSA-N 324.772 1.099 50 40 DDGB Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cnccn2)c1 40497207 XKXWSXDIXMCMOY-UHFFFAOYSA-N 314.345 1.324 50 40 DDGB CCOC(=O)c1ccc(NC(=O)C(=O)NN=C2CCCC2)cc1 59434199 IDHRAZYDSIMAKN-UHFFFAOYSA-N 317.345 1.848 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(O)cc1 409012847 LMLFTAIGXWLKTP-GZTJUZNOSA-N 315.329 1.586 50 40 DDGB O=C(/C=C/C1=CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 73397949 ULTMDSJATFIPFD-FEAKQIBJSA-N 314.341 1.640 50 40 DDGB COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 47299 MTFRPHWUSIGJGN-HKJBKDEOSA-N 312.325 1.985 50 40 DDGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 15145073 GBZLSWYVAOILOL-GIJQJNRQSA-N 313.313 1.020 50 40 DDGB COc1cc(C(=O)NNC(=N)c2ccccn2)cc(Cl)n1 163185 FMVGJSYCPUEXJX-UHFFFAOYSA-N 305.725 1.399 50 40 DDGB N#CCCN(CCC#N)C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 3310541 UAKOPXDXBCCBFW-ZROIWOOFSA-N 322.324 1.978 50 40 DDGB CCCNC(=O)C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 408999542 UVLLXADGXSTYRD-QGMBQPNBSA-N 301.268 1.682 50 40 DDGB C#CCOc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 409343637 IHUCBNFPPIOKFV-AMRJIULGSA-N 308.337 1.882 50 40 DDGB C/C(=N/NC(=O)Cn1ccc(C)n1)c1ccc([N+](=O)[O-])cc1 12463167 SOFOQZFILQOAEE-PTNGSMBKSA-N 301.306 1.640 50 40 DDGB COc1ccc(N(C(=O)CCl)[C@H]2C=CS(=O)(=O)C2)cc1 40177661 SLCZGKUNIAXUNW-NSHDSACASA-N 315.778 1.578 50 40 DDGB in-vitro O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1ccncc1 12849180 SYYQXODBARJKBT-UHFFFAOYSA-N 309.369 1.964 50 40 DDGB Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C/c1ccccc1F 552065 DSROOZAFKQTPTF-VIZOYTHASA-N 305.269 1.389 50 40 DDGB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)NC(C)=C2C#N)c1 14165619 VWLKBWJXIKOGAN-NSHDSACASA-N 315.329 1.576 50 40 DDGB Cc1cc(O)cc(O)c1/C=N/NC(=O)[C@@H](O)c1ccccc1 115168 WCMMNFQQRXHOAB-ZUZCKIMGSA-N 300.314 1.590 50 40 DDGB CC(C)C[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1 2604021 RZEPMZPIPWSLFE-GHMZBOCLSA-N 310.350 1.814 50 40 DDGB CC(=O)N(C(C)=O)c1ccccc1[C@H](Cl)S(C)(=O)=O 2041559 IMUWANZVVXYOCQ-GFCCVEGCSA-N 303.767 1.868 50 40 DDGB COc1ccccc1OCC(=O)NNC1=CC(=O)CC(C)(C)C1 4965257 PPTKJEHDZPNEAL-UHFFFAOYSA-N 318.373 1.968 50 40 DDGB COCCOC(=O)/C(C#N)=C/Nc1ccc(OC)c(OC)c1 100376446 ZNFVLBVXKRTDHE-ZHACJKMWSA-N 306.318 1.713 50 40 DDGB CC[C@H](CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 1827802 UKZIJCQGJUULLK-SECBINFHSA-N 323.305 1.247 50 40 DDGB NNC(=O)COc1c(Cl)cc(Br)cc1[N+](=O)[O-] 226241283 NITMWRRXMYPMGF-UHFFFAOYSA-N 324.518 1.379 50 40 DDGB O=C1NC(=O)[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@H]12 5083217 UBQKDQAIOTYQCR-FBXFSONDSA-N 310.973 1.196 50 40 DDGB NNC(=O)CCCC(=O)Nc1cccc(Br)c1 15014109 BSYSZZBVCPAXNA-UHFFFAOYSA-N 300.156 1.548 50 40 DDGB O=C(Nc1ccc(Cl)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 5513676 LQWIYCFLTIBLQT-NXEZZACHSA-N 323.201 1.866 50 40 DDGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)NC(N)=O 409244832 JGWWQYMLSJWVOE-GHXNOFRVSA-N 306.281 1.920 50 40 DDGB Cc1cc(-c2ccc(Cl)cc2)nc2nc(C(=O)NN)nn12 95098695 KQZYQUSHONABSE-UHFFFAOYSA-N 302.725 1.357 50 40 DDGB CCOc1ccc(/C=C(/C#N)c2nc(N)nc(N(C)C)n2)cc1 19625212 XFYVEXBKRQOEND-XFXZXTDPSA-N 310.361 1.983 50 40 DDGB CCOc1ccccc1/C=N/NC(=O)C(=O)N1CCCCCC1 59435574 LROVVFQAFWPGPY-QGOAFFKASA-N 317.389 1.938 50 40 DDGB CC(C)[C@H](N)C(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O 2595958 FTDWEVPCTUSWCK-GKNKIRGWSA-N 321.764 1.880 50 40 DDGB O=C(NNc1ccncc1)C(=O)Nc1ccn(-c2ccccc2)n1 97162338 OTFBQTYMKFYMSQ-UHFFFAOYSA-N 322.328 1.349 50 40 DDGB Cn1cccc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-] 33324252 WQLOMUMXEFNRIX-DHDCSXOGSA-N 302.290 1.462 50 40 DDGB CC(C)C(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 46426222 KILNXVXITGFNFK-UHFFFAOYSA-N 310.151 1.878 50 40 DDGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)C1CC1 12590092 PHRUDIHFWCSFIZ-UHFFFAOYSA-N 308.135 1.632 50 40 DDGB COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CCl 2661394 SWYWLPRHJXXEGX-UHFFFAOYSA-N 312.797 1.956 50 40 DDGB O=C(CSc1ccccc1F)NNC(=O)c1ccccn1 6428230 RSLGOHGHAYFILW-UHFFFAOYSA-N 305.334 1.774 50 40 DDGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccco1 6222012 OORRSWKQHDVKNR-XYOKQWHBSA-N 311.297 1.689 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CCn2nnc3ccccc32)cc1 419374 CMZUTNDHKPNRKK-UHFFFAOYSA-N 323.356 1.591 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O 9028339 LINZKUPVEINIHI-AWNIVKPZSA-N 320.217 1.566 50 40 DDGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1cnccn1 532652 ZWKAEDJXDVIPFP-UHFFFAOYSA-N 322.324 1.470 50 40 DDGB CCNC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 53347438 ZASXPJNCZDSLPH-UHFFFAOYSA-N 312.373 1.793 50 40 DDGB COC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 3243894 CWJZYXYTBBIATA-LFYBBSHMSA-N 303.112 1.853 50 40 DDGB O=C(NCc1cccnc1)C(=O)NN=C1CCCCCCC1 59515708 VQTUBWGUHOJNPA-UHFFFAOYSA-N 302.378 1.914 50 40 DDGB O=C(/C=C/c1ccco1)NNC(=S)NCc1ccccc1 8724128 XWXMCESOIUCFIX-CMDGGOBGSA-N 301.371 1.988 50 40 DDGB Cc1nc2ccc(C(=O)NNC(=O)c3cccnc3)cc2nc1C 32740586 IGHQPXJZCVHHSY-UHFFFAOYSA-N 321.340 1.716 50 40 DDGB O=C(CNC(=O)c1cccs1)NNC(=O)Nc1ccccc1 95884148 CTBVWHYQJIOWEF-UHFFFAOYSA-N 318.358 1.331 50 40 DDGB COC(=O)[C@H](C#N)[C@@H](C/C(C)=N\NC(N)=O)c1ccccc1 5080886 RBIZOUCDKRPSKO-HEQHTUBLSA-N 302.334 1.517 50 40 DDGB NC(=O)N/N=C(/C[C@@H]1OC(=O)c2ccccc21)c1cccnc1 5739382 JUNRIAVHBGRKJN-QIQQCEGHSA-N 310.313 1.756 50 40 DDGB CCOC(=O)NNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 21771833 LNIKQTCHEICYPQ-UHFFFAOYSA-N 311.338 1.588 50 40 DDGB CN(C)NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 2703446 FXOKJOYRPHVSRJ-OXHMUOHRSA-N 317.227 1.738 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)N2CCCCCC2)c1 59459699 VRTGGTDTSLKMPQ-SFQUDFHCSA-N 303.362 1.548 50 40 DDGB CC(C)CC(=O)NNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 48332241 AAZIHQKXPAKWDI-UHFFFAOYSA-N 320.374 1.805 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 6204310 WLDRPCLOEQRWOQ-CHWSQXEVSA-N 304.346 1.647 50 40 DDGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1ccco1 8920031 AXVVMUQOARLOJX-UHFFFAOYSA-N 302.286 1.402 50 40 DDGB CCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1 5674389 OYWLGLJFSIMXTA-UHFFFAOYSA-N 320.370 1.578 50 40 DDGB O=C(NNC(=S)NCc1cccs1)c1ccccc1O 7735960 ZYENJUGEDCMILI-UHFFFAOYSA-N 307.400 1.763 50 40 DDGB CN(C)N(C(=O)c1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 25050909 WQYAMWWATAHMQS-GFCCVEGCSA-N 322.386 1.539 50 40 DDGB O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 19230014 PTZPMYNSAPNERP-UHFFFAOYSA-N 310.781 1.341 50 40 DDGB in-vitro O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)c(O)c1 409047086 MUZOEVBQIYIBKG-CAOOACKPSA-N 314.297 1.519 50 40 DDGB Cn1cccc1C(=O)NNC(=O)/C=C/c1c(F)cccc1F 97406327 IFSOSSXKTFDBGZ-BQYQJAHWSA-N 305.284 1.778 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 6210042 VMZZCNABTDFTTI-UKTHLTGXSA-N 318.329 1.210 50 40 DDGB COc1cccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1O 36957 XFRPUJHVXZNITF-RPHSKFLZSA-N 302.330 1.603 50 40 DDGB C=CCNC(=O)C/C(C)=N/NC(=O)c1cccc([N+](=O)[O-])c1 100048419 VCEAZLMGQWQWBJ-MHWRWJLKSA-N 304.306 1.393 50 40 DDGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1O 408970810 KOUCMSQNSHFLIJ-VCBXAZPMSA-N 307.350 1.156 50 40 DDGB COc1cc(OC)cc(C2C(C#N)=C(N)SC(N)=C2C#N)c1 499603 CFEXKGKHBYNBNN-UHFFFAOYSA-N 314.370 1.922 50 40 DDGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1ccccc1 3141745 PCUZZMOTBDCXNT-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB Cc1c(C(=O)NNC(=O)c2cccnc2O)oc2ccccc12 12979414 YUCSVUHQTCJFCB-UHFFFAOYSA-N 311.297 1.917 50 40 DDGB CN(C)c1cccc(C(=O)NNC(=O)COc2ccccc2)c1 7777175 SLOPDQSXGKFGJF-UHFFFAOYSA-N 313.357 1.593 50 40 DDGB CC(C)=NNC(=O)CN(c1ccccc1F)S(C)(=O)=O 408781822 FAQYICQKCYQULM-UHFFFAOYSA-N 301.343 1.104 50 40 DDGB O=C(N[C@H](O)C(Br)Br)c1ccccc1 102584471 YVYVMJOMQOISEX-SECBINFHSA-N 322.984 1.851 50 40 DDGB O=C(N[C@@H](O)C(Br)Br)c1ccccc1 102584474 YVYVMJOMQOISEX-VIFPVBQESA-N 322.984 1.851 50 40 DDGB COCc1[nH]nc2c1[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2 4102702 QTYCDNYUHHXHMY-ZDUSSCGKSA-N 312.329 1.783 50 40 DDGB O=C1OC(=O)[C@@H]2C[C@H]([C@H]3CC[C@H]4C(=O)OC(=O)[C@@H]4C3)CC[C@H]12 169795893 SNHKMHUMILUWSJ-AFTWZWCASA-N 306.314 1.218 50 40 DDGB O=C(C[C@H]1C=CCC1)NNC(=O)c1n[nH]c(=O)c2ccccc12 7810509 XKOCWXDJOHSLBH-JTQLQIEISA-N 312.329 1.040 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCCO2 531430 XDTKCNZIHFORCI-OVCLIPMQSA-N 317.257 1.723 50 40 DDGB Cc1nnc(NNC(=O)CCc2ccccc2Cl)[nH]c1=O 22383467 LHYDBPZMRXTEAS-UHFFFAOYSA-N 307.741 1.203 50 40 DDGB Cc1nnc2n(c1=O)[C@H](CI)CS2 23118595 JHOYWSKWLAKHQI-RXMQYKEDSA-N 309.132 1.029 50 40 DDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(F)cc1 4611312 FGOBLJOSAOATPJ-OVCLIPMQSA-N 306.257 1.131 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)cn1 4680067 FTMJZXQOJPGXTI-NVMNQCDNSA-N 313.313 1.617 50 40 DDGB COCCNC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1 408801566 VVYKBIIGHJRMRI-JLHYYAGUSA-N 318.329 1.210 50 40 DDGB CS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519005 ZZEHSEYWPUUZSI-RKDXNWHRSA-N 324.152 1.394 50 40 DDGB NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccncc1 32559 OXORPMPLPMXZQH-SILNSSARSA-N 308.297 1.172 50 40 DDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CC=CCC1 40457460 RUACITBKJYJNAZ-RISCZKNCSA-N 302.330 1.330 50 40 DDGB C[C@@H](C(=O)N/N=C/c1ccccc1O)n1nnc2ccccc21 124361 DHZKUECZNIRVLB-MUOOZZNISA-N 309.329 1.848 50 40 DDGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(F)cc1 59483793 JSQGFHNAGNNJGQ-VCHYOVAHSA-N 309.341 1.207 50 40 DDGB O=C(NNC(=S)NCc1ccccc1)c1ccccc1O 3214745 WJGOKNAUGYSLHN-UHFFFAOYSA-N 301.371 1.701 50 40 DDGB C=CCNC(=S)NNC(=O)COc1cccc2ccccc12 2550026 OQMHHLNGDUXNSV-UHFFFAOYSA-N 315.398 1.900 50 40 DDGB CC(C)NCC(=O)N/N=C/c1ccc(OC2CSC2)cc1 2056127 CRWCVOFRPAMKPI-REZTVBANSA-N 307.419 1.629 50 40 DDGB CN1C(=O)/C(=N\NC(=O)c2ccc(C#N)cc2)c2ccccc21 3362475 QAYLVABYTIKVBI-CYVLTUHYSA-N 304.309 1.669 50 40 DDGB O=C(O[C@@H]1CS(=O)(=O)C[C@H]1Br)c1ccccc1 4158944 IMUBPUCHQXODOD-NXEZZACHSA-N 319.176 1.404 50 40 DDGB CCS(=O)(=O)[C@@H](I)[C@H](O)C(C)(C)C 96519297 ZGZNKALQWQOLOM-NKWVEPMBSA-N 320.192 1.589 50 40 DDGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1O 135183 XSBUCFNIILHXJI-ADFUCPMPSA-N 300.314 1.585 50 40 DDGB CC(=O)[C@@]1(C)OC(N)=C(C#N)[C@H](c2ccccc2)C1(C#N)C#N 50404 AZSBWFUUXLHAIJ-GOEBONIOSA-N 306.325 1.876 50 40 DDGB CC(C)N1CCC(=NNC(=O)COc2ccc(C#N)cc2)CC1 57497789 XAUMUVYKTIHYEU-UHFFFAOYSA-N 314.389 1.913 50 40 DDGB CN(C)C(=O)[C@@H]1C(=S)NC(N)=C(C#N)[C@@H]1c1cccs1 1412626 YJLIZTVLEUBDND-ZJUUUORDSA-N 306.416 1.161 50 40 DDGB Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 6316870 PBHKSNOTMKMTTK-CHWSQXEVSA-N 304.346 1.647 50 40 DDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccccc1O 9190234 GVBMSSBRSKXXSH-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB COc1cccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1 214520089 BKKKTDWFIPPDCS-UHFFFAOYSA-N 321.358 1.100 50 40 DDGB Cc1cc(N2CCC(C(=O)NN)CC2)nc(-c2ccccc2)n1 223465639 OONQWPOETXVHQY-UHFFFAOYSA-N 311.389 1.658 50 40 DDGB CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)NN)c1 225501431 QECJKJDMAKQXLK-UHFFFAOYSA-N 319.386 1.111 50 40 DDGB O=C(OCCCl)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)OCCCl 5328602 LBVBNTTWZJWVLB-UTINFBMNSA-N 311.161 1.344 50 40 DDGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@@H]1c1ccccc1 5604407 ZXKXTOPNRNSCHI-BREBYQMCSA-N 308.263 1.958 50 40 DDGB NC(=O)N/N=C\c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 6242612 QHVJKNBOIXOABD-AUWJEWJLSA-N 309.303 1.196 50 40 DDGB CCN1C(=O)/C(=N\NC(=O)C(O)(CC)CC)c2ccccc21 100794213 MEVAVXUYTNVISR-LGMDPLHJSA-N 303.362 1.425 50 40 DDGB COc1cc(OC)c(/C=N/NC(=O)c2cnccn2)c(OC)c1 231067 NAYRKTNANDGMDY-QGMBQPNBSA-N 316.317 1.266 50 40 DDGB Cc1c(/C=N/NC(=O)c2ccc(Br)o2)cnn1C 548158 MJZZFHAEJWDQRC-WLRTZDKTSA-N 311.139 1.848 50 40 DDGB O=C(COc1ccccc1)N/N=C\c1ccc([N+](=O)[O-])c(O)c1 57476929 QMQSLORKWDXBMH-SXGWCWSVSA-N 315.285 1.830 50 40 DDGB C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1[N+](=O)[O-] 69417083 IZWUEYOHKCOUPF-GHMZBOCLSA-N 309.322 1.622 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(C(=O)N(C)C)cc1 16694090 FGCOXNYBUNTJFI-ZROIWOOFSA-N 324.340 1.181 50 40 DDGB O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1cccc(Cl)c1 2784310 PTBDTUCFUPUOGZ-NEPJUHHUSA-N 322.748 1.768 50 40 DDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccco1 7783859 ZFHLNMIZQKIDOU-MHWRWJLKSA-N 301.302 1.767 50 40 DDGB COc1ccccc1/C=N/NC(=O)Cn1nc2ccccc2n1 482894 SJJOGQLQVIQJGN-LICLKQGHSA-N 309.329 1.590 50 40 DDGB O=C(CN1CCCCC1)N/N=C/c1cc([N+](=O)[O-])ccc1O 20248518 OSRJWVGLGSQERC-OQLLNIDSSA-N 306.322 1.236 50 40 DDGB O=C(Cc1ccc(Cl)cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9483981 YGELZJOABRTIPM-WDEREUQCSA-N 322.213 1.403 50 40 DDGB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NN 44676185 KWKBLOBJXKJSMC-UHFFFAOYSA-N 309.167 1.855 50 40 DDGB COc1ccc(/C=N/NC(=O)c2ccccn2)cc1[N+](=O)[O-] 3150817 AWZVPNCCUVRJSU-CXUHLZMHSA-N 300.274 1.762 50 40 DDGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(C)o2)CC(=O)N1 181206 QAHLQPOTVNPOAB-SECBINFHSA-N 306.343 1.833 50 40 DDGB CSc1nc(C)c(CCC(=O)NNC(=O)C2CC2)c(C)n1 26969159 IJMJLWAXOVSPFB-UHFFFAOYSA-N 308.407 1.305 50 40 DDGB C#CCN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 5662749 TYSPZCFEGSPLLQ-CYVLTUHYSA-N 304.309 1.196 50 40 DDGB CCc1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)s1 6958908 WQQXMOMTVVOJRQ-SECBINFHSA-N 313.448 1.598 50 40 DDGB Cc1nc(COc2cccc3cccnc23)ncc1C(=O)NN 223465567 KLXJRKCJCNSROA-UHFFFAOYSA-N 309.329 1.516 50 40 DDGB O=S(=O)(CBr)NCC[C@@H](O)c1cccs1 77114572 SXDXJUYHRUDPRU-SSDOTTSWSA-N 314.226 1.443 50 40 DDGB CNS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 103178800 GRBFFHTYMNSFCY-OEIWMXHLSA-N 324.240 1.304 50 40 DDGB CCCC[C@](CCC(=O)O)(C(=O)NN)c1csc(N)n1 2362042 XSLLYSHAPPXXDK-GFCCVEGCSA-N 300.384 1.008 50 40 DDGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1cccc(O)c1 409099739 SKBITAWAKZVPSH-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB C[C@H](Oc1ccc(/C=N\NC(=O)c2ccco2)cc1)C(=O)O 32192930 AWUUYJVFFANXLJ-XBTXGSBDSA-N 302.286 1.895 50 40 DDGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(O)cc1O 359228 RJBPHGKLVYFHLS-GIJQJNRQSA-N 311.297 1.499 50 40 DDGB O=C(Cn1nnc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 251921 JLJWIEYAAOPFLQ-CXUHLZMHSA-N 324.300 1.490 50 40 DDGB CCOC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 23241779 STIQXUICHOPDIT-JTQLQIEISA-N 315.370 1.411 50 40 DDGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334248 PMOXPPWMGVUJNC-GHXNOFRVSA-N 318.329 1.242 50 40 DDGB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccco1 2272576 ACGFKIPFYPFSGZ-WDEREUQCSA-N 310.350 1.958 50 40 DDGB CN(C(=O)Cl)c1nc(Cl)c(S(=O)(=O)N(C)C)s1 255189558 QRIQNOPLRUJQJL-UHFFFAOYSA-N 318.207 1.842 50 40 DDGB CC(=O)NNC(=O)c1ccc(Cn2cnc(Cl)c2Cl)o1 161230 BRBJUGOVJYJLFA-UHFFFAOYSA-N 317.132 1.612 50 40 DDGB N#CC1=C(N)Nn2c(nnc2[C@@H]2COc3ccccc3O2)S1 20727526 JQHHMLNEGLBXGL-VIFPVBQESA-N 314.330 1.091 50 40 DDGB O=C(COC(=O)c1cccc(F)c1)NNC(=O)c1ccccc1 3293724 VAZFYXSRAIDSET-UHFFFAOYSA-N 316.288 1.444 50 40 DDGB CCn1c([P@](=O)(O)c2ccccc2)nc2ccc(N)cc21 100747051 LFJAVPLOWGSVQS-UHFFFAOYSA-N 301.286 1.860 50 40 DDGB NC(=O)N/N=C/c1cc(Br)c(Br)o1 70044350 AEAFKMHBHRITJC-WTDSWWLTSA-N 310.933 1.807 50 40 DDGB OB(O)c1ccc(OCc2ccccc2)cc1OC(F)(F)F 216699763 CHCQIAAVRUVYIC-UHFFFAOYSA-N 312.052 1.844 50 40 DDGB NNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 225329968 XRYYAQFHTRJYQA-AWEZNQCLSA-N 315.304 1.223 50 40 DDGB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NNC(=O)CC#N 108306735 GHYTUUPXAOVBJE-XYOKQWHBSA-N 317.736 1.481 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2cccc(F)c2)cc1 4700678 RNRHBMGPDKKHQP-UHFFFAOYSA-N 302.305 1.838 50 40 DDGB CC(C)CC(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 30602849 IXWYGUQBODGOFU-LBPRGKRZSA-N 321.377 1.325 50 40 DDGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccccn1 8197983 FIQFADGPBVOFKG-UHFFFAOYSA-N 309.281 1.263 50 40 DDGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 521691 BJUYLXSJJZDLJL-LBPRGKRZSA-N 324.340 1.405 50 40 DDGB NC(=O)N1CCC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 70040395 OPSOSENZHJMOGL-UHFFFAOYSA-N 318.421 1.850 50 40 DDGB Cn1cccc1CC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 5577904 HBJSJXUCPNQXRS-UHFFFAOYSA-N 317.305 1.329 50 40 DDGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccccn1 8029536 MIZWHLBAIXPVLT-UHFFFAOYSA-N 310.357 1.295 50 40 DDGB COc1cccc(/C(C)=N/NC(=O)Cc2c(O)n[nH]c2C)c1 232177 GGJKBOOTDDNPFX-CXUHLZMHSA-N 302.334 1.515 50 40 DDGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)OC3)c1 5916525 HXIWXOJUUJBDDK-ZDUSSCGKSA-N 314.297 1.322 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4651639 KYUFSQOANSYQJK-RCWTZXSCSA-N 320.370 1.340 50 40 DDGB NNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 4170880 BBOIQLJMHNAMRL-HNNXBMFYSA-N 313.357 1.514 50 40 DDGB C[C@@](Cl)(CCl)C(=O)NCNC(=O)[C@@](C)(Cl)CCl 104039628 OMSDDUZIPIHGHV-DTORHVGOSA-N 324.035 1.649 50 40 DDGB N#CCc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1 2422789 YSDUBNWZWWTJRW-YBFXNURJSA-N 307.313 1.236 50 40 DDGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccco1 408918426 KIYZMIHFHQEBOA-NTUHNPAUSA-N 304.218 1.860 50 40 DDGB O=C(N/N=C\c1ccc(O)cc1O)c1ccc2c(c1)OCO2 32116956 VLRWKLMYJHATCA-APSNUPSMSA-N 300.270 1.590 50 40 DDGB C=CCNc1nnc2n1C[C@H](CI)S2 45951888 ZTCMRRCADQLMKK-LURJTMIESA-N 322.175 1.785 50 40 DDGB O=C1[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](F)([C@H]5I)[C@@H]24 245284428 RUJMCBCIMWTKLD-NXOGHOONSA-N 304.102 1.839 50 40 DDGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccccc1Cl 1880811 PTQJQJGRMGUXLB-CAOOACKPSA-N 305.721 1.813 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cs1 6281377 CZGFSPZQBIMQAG-DMWPJOQESA-N 320.370 1.340 50 40 DDGB O=C(O)c1ccccc1C(=O)NNC(=O)C1[C@@H]2CCCC[C@@H]12 3141755 MFONRUQNRLFHMK-NXEZZACHSA-N 302.330 1.582 50 40 DDGB O=C(O[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1ccccc1 4158942 IMUBPUCHQXODOD-VHSXEESVSA-N 319.176 1.404 50 40 DDGB Cc1ccc(/C=C2\Oc3cc(OCC(=O)NN)ccc3C2=O)o1 5324125 NONLZWCQWDAHHY-AUWJEWJLSA-N 314.297 1.573 50 40 DDGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccco1 75274257 BHCCHMZMWYKROJ-XKYMITNMSA-N 311.341 1.746 50 40 DDGB O=NN(C(=O)NCCCl)c1nc(O)ncc1Br 16941166 UVZZJQNHIHEOBR-UHFFFAOYSA-N 324.522 1.381 50 40 DDGB CCC(=O)NNC(=O)CCC(=O)Nc1nc2ccccc2s1 5500439 MZFOAFRLLZPZEG-UHFFFAOYSA-N 320.374 1.572 50 40 DDGB O=C(O)/C=C/C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 2973581 KNVVYDAVGULGKB-ZHACJKMWSA-N 310.309 1.755 50 40 DDGB COc1ccc(C(=O)NNC(=S)NC(=O)c2ccco2)cc1 2316436 FRUXRPWKBWGSKB-UHFFFAOYSA-N 319.342 1.238 50 40 DDGB NC(=O)N/N=C1\CC[C@@H](OCc2ccccc2)C[C@H]1CC(=O)O 33849210 FXTAMIBWOKATPF-SIXPRSDSSA-N 319.361 1.871 50 40 DDGB CCOc1cc(/C=N/NC(=O)CC(=O)NC(C)C)ccc1O 3057852 YDUWWJHQPRLCQJ-CXUHLZMHSA-N 307.350 1.156 50 40 DDGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1cccnc1 100150041 XHHQPNXCYHMEFS-BKQORJHRSA-N 321.340 1.836 50 40 DDGB Cc1ccc(NC(=S)NNC(=O)CCn2cc(C)cn2)cc1 13470850 FHTKXSZOVJWWOY-UHFFFAOYSA-N 317.418 1.908 50 40 DDGB C(=N/CCC[Si]12OCCN(CCO1)CCO2)\c1ccco1 195752866 UQYLORJIESSSRI-FYWRMAATSA-N 310.426 1.407 50 40 DDGB CC1=C(C(=O)NN)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 227149725 VIVRJLXNKWVOTE-ZDUSSCGKSA-N 304.419 1.593 50 40 DDGB O=C(Cl)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 96345853 LNPWKNMNTWRZCT-JTQLQIEISA-N 322.791 1.026 50 40 DDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1F 36769 ZKQWJUXMORFIQE-VCHYOVAHSA-N 324.319 1.630 50 40 DDGB Cc1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2)o1 4086418 LNSMCOREMPSVGP-GIJQJNRQSA-N 315.329 1.233 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(OC)cc1OC 6579788 LNIBMPKQIMQFOA-UKTHLTGXSA-N 304.346 1.763 50 40 DDGB O=C(CCn1ccc2ccccc21)NNC(=O)c1ccncc1 9517066 ZFPLBVMUJUVLCS-UHFFFAOYSA-N 308.341 1.888 50 40 DDGB C[C@@H](C(=O)NN=C1CCCC1)N(c1ccccc1)S(C)(=O)=O 408907473 OYOYGGNHAINVJL-LBPRGKRZSA-N 323.418 1.887 50 40 DDGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(N)=O)c2ccccc21 408807031 BUIYVJGYPXMLCN-XYOKQWHBSA-N 311.341 1.905 50 40 DDGB COC(=O)[C@]1(NC(C)=O)C[C@H](c2ccccc2)C=C(C#N)O1 4267384 SMABZDRNZNTMND-CJNGLKHVSA-N 300.314 1.603 50 40 DDGB biogenic O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cn2ccncc2n1 43761227 SWZYJHBCVDIHQZ-FRKPEAEDSA-N 310.273 1.401 50 40 DDGB COc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1 320600 PSHMMDTWPXFCKS-UHFFFAOYSA-N 324.333 1.458 50 40 DDGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN)cc1 3886242 CWCQUNLOPNVHBR-RYUDHWBXSA-N 305.378 1.458 50 40 DDGB COc1ccc(/C(C)=N/NC(=O)c2cc(C)n[nH]2)c(OC)c1 18254280 PBHLAIFKGKLJJB-LICLKQGHSA-N 302.334 1.889 50 40 DDGB O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc(F)cc1 13255367 GDZJLJDFIWHGFT-RYUDHWBXSA-N 306.293 1.254 50 40 DDGB Nc1nonc1CC(=O)N/N=C/c1ccc(Br)cc1 4180463 YGZQLDOXBNDSHU-MKMNVTDBSA-N 324.138 1.107 50 40 DDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1 184199 FOVHMBKVNLKZHK-CQSZACIVSA-N 300.314 1.950 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)COc1ccc(Cl)cc1C 104573678 HLNPLOGXQLSRBL-BENRWUELSA-N 322.748 1.896 50 40 DDGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(Br)c1 59515393 NSKUSSSACCZORV-VGOFMYFVSA-N 312.167 1.424 50 40 DDGB O=C1[C@@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3[C@H]1[C@](F)([C@@H]5I)[C@H]42 102946463 RUJMCBCIMWTKLD-QDVWJAAESA-N 304.102 1.839 50 40 DDGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN1CCCCC1 20247983 DAZMOXJLGXZWHM-MHWRWJLKSA-N 320.349 1.539 50 40 DDGB CCn1c(SCC(=O)NN)nnc1-c1ccc(Cl)cc1 36724737 FOWSWHZXTDMPPF-UHFFFAOYSA-N 311.798 1.700 50 40 DDGB COc1ccc(C(=O)NNC(=O)C2CCCC2)cc1[N+](=O)[O-] 40512023 FXMKQHMZZXZQAM-UHFFFAOYSA-N 307.306 1.555 50 40 DDGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCN)[C@H](Br)C2=O 85385669 WVTMNZFGZQVCEF-WQHBLYJGSA-N 317.227 1.220 50 40 DDGB CC(C)C(=O)NNC(=O)c1ccc(Cn2cc(Cl)cn2)o1 2754268 LJTSEMRWWAXMRT-UHFFFAOYSA-N 310.741 1.595 50 40 DDGB CCN(CC)CCCNC(=O)N/N=C\c1ccc([N+](=O)[O-])o1 8580445 PCJJYLQECJTKOW-GDNBJRDFSA-N 311.342 1.553 50 40 DDGB CSc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 59444321 HFQFVZSYWZYNRB-UWONZBIMSA-N 321.402 1.154 50 40 DDGB Cc1nc2c(c(=O)n1NC(=O)CCl)[C@H]1CCCC[C@H]1S2 9193827 WPJXFJRGSAPKJR-DTWKUNHWSA-N 313.810 1.993 50 40 DDGB CC1(CC(=O)N/N=C/c2ccccc2OCC#N)OCCO1 15227518 ZPMUMBBZTKGACZ-GZTJUZNOSA-N 303.318 1.192 50 40 DDGB COc1ccc(/C=N/NC(=O)C[n+]2ccccc2)c(OC)c1 1560319 GMIDLSGZWGDZMG-GZTJUZNOSA-O 300.338 1.142 50 40 DDGB Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1 4476323 FTMHERZVKGSVBZ-AWEZNQCLSA-N 310.309 1.659 50 40 DDGB N#C/C=C1\SCC(=O)N1CC(=O)c1ccc([N+](=O)[O-])cc1 5783340 QRLHFFFLCFDBBZ-ACAGNQJTSA-N 303.299 1.718 50 40 DDGB CCN1C(=O)/C(=N/NC(=O)c2ccccc2N)c2ccccc21 135949232 UFHLMFNEXRNDPA-XDJHFCHBSA-N 308.341 1.769 50 40 DDGB O=C(NNC(=S)Nc1ccccc1)[C@H](O)c1ccccc1 6898928 PLNJKZMPJMNACX-CYBMUJFWSA-N 301.371 1.738 50 40 DDGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 408795156 BOMBNGSNNHPOEG-ZWSXMNCCSA-N 302.330 1.972 50 40 DDGB CCCc1[nH]nc2c1[C@@]1(CC[C@H]3CO[C@@H]1O3)C(C#N)=C(N)O2 8783483 OFMOODVUJLVUEI-PVJOKMEKSA-N 302.334 1.222 50 40 DDGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1O 96447546 QWLPOGZMQMDWOY-WQRHYEAKSA-N 312.325 1.856 50 40 DDGB O=C(/C=C\CBr)N[C@H](Cc1ccccc1)C(=O)O 5014703 PHIWAOXBFWSAIB-MEQVVJDKSA-N 312.163 1.750 50 40 DDGB C[C@@H](Br)[C@H](Br)C(=O)N1CCOCC1 1690349 ARPDEGNOVJFRQA-RQJHMYQMSA-N 315.005 1.392 50 40 DDGB ICCNCCI 4886820 IEGMPNHTPJNNDO-UHFFFAOYSA-N 324.931 1.446 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nc2sccc2c(=O)[nH]1 104703846 HAZNQNFMUIJUBW-VURMDHGXSA-N 306.372 1.402 50 40 DDGB CCCCC(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 2064477 ZFAHECPGZCENND-UHFFFAOYSA-N 324.362 1.421 50 40 DDGB COC(=O)NNS(=O)(=O)c1ccc(C)cc1Br 28196631 MZUXBJVFLMEHPN-UHFFFAOYSA-N 323.168 1.307 50 40 DDGB Cc1nc2ccc(C(=O)NNC(=O)c3ccncc3)cc2nc1C 13019511 FYJFTRQUNZOFHH-UHFFFAOYSA-N 321.340 1.716 50 40 DDGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 408810406 PKBBKJUWIXTJOR-KAQJVSAMSA-N 301.346 1.372 50 40 DDGB Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C/c1ccc(F)s1 252493966 NHOLEYWGZPDYOE-WLRTZDKTSA-N 311.298 1.451 50 40 DDGB Cc1ccc2[nH]c(/C(C#N)=C/c3c(O)[nH]c(=O)[nH]c3=O)nc2c1 6187961 ZSWLBXSPIZMTBM-VMPITWQZSA-N 309.285 1.018 50 40 DDGB CSc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1 8219905 PWXXOEAVHMPGAA-RQZCQDPDSA-N 317.370 1.768 50 40 DDGB O=C(C[C@H]1C=CCC1)NNC(=O)[C@H]1COc2ccccc2O1 21191215 ZRNBNNOTTUMAMD-SMDDNHRTSA-N 302.330 1.330 50 40 DDGB C#CCOc1ccccc1/C=N/NC(=O)[C@@H](O)c1ccccc1 2080920 BGPREMXTOWECQJ-AMRJIULGSA-N 308.337 1.882 50 40 DDGB CN(C)c1cccc(C(=O)NNC(=O)CCc2ccco2)c1 58023034 LHNKHJNDCATBFF-UHFFFAOYSA-N 301.346 1.739 50 40 DDGB CN(C)S(=O)(=O)c1ccc(C(=O)CBr)cc1 4205969 GPRFNTIBFADUHF-UHFFFAOYSA-N 306.181 1.515 50 40 DDGB in-vitro C/C(=N\NC(=O)C(=O)Nc1ccc(F)cc1)c1ccncc1 5163256 FCSCDSOJASXIAG-VXLYETTFSA-N 300.293 1.700 50 40 DDGB CN(C)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1n[nH]c(N)c1C#N 5386582 IVNKLQZWELEPRT-BJMVGYQFSA-N 323.316 1.902 50 40 DDGB O=C(NNC(=O)C1CC1)c1ccn(-c2cccc(Cl)c2)n1 57410208 PJUUSOSPUJNOIP-UHFFFAOYSA-N 304.737 1.697 50 40 DDGB O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc([N+](=O)[O-])o1 137382 QAPXMAMPZYLYDV-UHFFFAOYSA-N 300.230 1.274 50 40 DDGB CCc1[nH]nc2c1[C@@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 19624572 JYMZECRCFPICDD-ZDUSSCGKSA-N 312.329 1.904 50 40 DDGB N#CC1=C(N)Nc2ncnn2[C@@H]1c1cccc(Br)c1 55104077 UZMULUXOVJBQRU-SNVBAGLBSA-N 317.150 1.749 50 40 DDGB O=C(NNS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 580882 KJXRQQOLSKECES-UHFFFAOYSA-N 321.314 1.218 50 40 DDGB O=P(C(Cl)Cl)(N1CCOCC1)N1CCOCC1 3189461 LUEUXBDSQWKVNR-UHFFFAOYSA-N 303.126 1.605 50 40 DDGB NNC(=O)CCn1ccc(=O)c2ccc(Br)cc21 64873664 OCJQNOMIURZUQV-UHFFFAOYSA-N 310.151 1.144 50 40 DDGB O=C(N/N=C\c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5896607 HQKKTKGCUXHHCK-QPEQYQDCSA-N 304.218 1.860 50 40 DDGB NNC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1cccs1 32594580 VJJIYKWVNZLJBP-FSPLSTOPSA-N 313.429 1.342 50 40 DDGB Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC2(Cl)Cl)cc1 12534183 MHCRZKXXAVSMDE-SNVBAGLBSA-N 316.188 1.748 50 40 DDGB CC[C@H](NNC(=O)c1ccc(C)cc1)C(=O)Nc1cc(C)on1 14200136 KVCVPNACVMKOIM-ZDUSSCGKSA-N 316.361 1.943 50 40 DDGB CC[C@H](NNC(=O)c1cccs1)C(=O)Nc1cc(C)on1 40477340 SSVWRMUBARRCGZ-VIFPVBQESA-N 308.363 1.696 50 40 DDGB C[N+]1(CCC(=O)NN=C2C3CC4CC(C3)CC2C4)CCOCC1 1462616 ITFOLPPOINPGOW-UHFFFAOYSA-O 320.457 1.782 50 40 DDGB CC(=O)Nc1cccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c1 100558423 IENSIQPKULUJMF-DHDCSXOGSA-N 324.340 1.779 50 40 DDGB CN(C)c1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C 196126939 KQJRUICWEPXFIJ-UHFFFAOYSA-N 304.155 1.170 50 40 DDGB COCCNC(=O)CC(=O)N/N=C/c1ccc(C(C)C)cc1 3061967 SRJAQZLERWEXIY-WOJGMQOQSA-N 305.378 1.413 50 40 DDGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(OC)cc1 96519143 VQNFYQOUELKJRU-WDEREUQCSA-N 323.208 1.884 50 40 DDGB O=C(NN[C@H]1CC(=O)N(Cc2ccccc2)C1=O)c1ccccc1 2890207 YUWYKRPWNSZYRS-HNNXBMFYSA-N 323.352 1.249 50 40 DDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccs2)c1C 8938589 OTJZZTSAKPAOBH-UHFFFAOYSA-N 305.359 1.970 50 40 DDGB NNC(=O)c1cnc(Cc2ccccc2)nc1N1CCCCC1 223461407 VYYHGMTUKWUZPC-UHFFFAOYSA-N 311.389 1.661 50 40 DDGB Cn1cc(Cl)cc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 12394182 LVPWRJZQIFSGNN-UHFFFAOYSA-N 321.720 1.482 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCCC2)cc1 6657212 KSHNTGGFYGBUEK-UHFFFAOYSA-N 311.407 1.820 50 40 DDGB CCN1C(=O)/C(=C(\C#N)C(N)=O)c2cc(Br)ccc21 409147491 ZGUMEAYZKAEOCQ-PKNBQFBNSA-N 320.146 1.578 50 40 DDGB CCCCC(=O)NN[C@H]1OC(=O)c2c1ccc(OC)c2OC 5375380 VYRSATKIUBEJJE-AWEZNQCLSA-N 308.334 1.684 50 40 DDGB CCN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21 16677871 MIPBEJFRFDNOJI-SDXDJHTJSA-N 309.325 1.893 50 40 DDGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(O)cc1 30735361 KLPMPPSIDXYJHK-ZTHXOMDQSA-N 323.352 1.372 50 40 DDGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)o2)cc1 573531 XDSBVANUVBJFIL-RQZCQDPDSA-N 316.313 1.904 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)C(=O)N2CCCCC2)c1 3093598 YPORRQVFJFVLBC-QGOAFFKASA-N 315.373 1.714 50 40 DDGB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCl 8939949 YPTPVOYNOCQADC-UHFFFAOYSA-N 316.810 1.455 50 40 DDGB Cc1cccc(O[C@H](C)C(=O)N/N=C2\N=C(N)c3ccccc32)c1 16349780 LRASJQGCMQHOJL-GFCCVEGCSA-N 322.368 1.959 50 40 DDGB COc1cccc(OC)c1C(=O)NN(C)c1ccc(Cl)nn1 153121 KLVZVZDJQMCHAJ-UHFFFAOYSA-N 322.752 1.928 50 40 DDGB COc1cc(/C=N\NC(=O)c2cnccn2)cc(OC)c1OC 30702547 FPBWXDUKTWKNMF-LSCVHKIXSA-N 316.317 1.266 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cs1 102211504 UZAIYRMWCWBWDI-QSFUFRPTSA-N 322.386 1.564 50 40 DDGB NC(=S)N/N=C1\C(=O)N(CCCl)c2ccc(Cl)cc21 100548004 CRPAFVOGKLNZQD-DHDCSXOGSA-N 317.201 1.463 50 40 DDGB CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](CCCl)O2 4038095 LTQWDVIQLOGLAW-NSHDSACASA-N 303.767 1.809 50 40 DDGB O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@H]1c1ccccc1F 81025283 QBEKUIXZYNSTMF-UONOGXRCSA-N 313.332 1.714 50 40 DDGB COC(=O)c1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 19804791 GCFQTIFDRHMJLT-UHFFFAOYSA-N 312.354 1.691 50 40 DDGB CN1C(=O)/C(=N/NC(=O)CC#N)c2cc(Br)ccc21 5603473 NTXJKTYABAHOFY-LFIBNONCSA-N 321.134 1.159 50 40 DDGB Cc1ccccc1C(=O)NC(=S)NNC(=O)c1ccncc1 6504649 BBOPLGRQGYCUJA-UHFFFAOYSA-N 314.370 1.339 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 3008853 HQOGALCNBKXUGE-VCHYOVAHSA-N 315.304 1.923 50 40 DDGB COc1ccnc(NNC(=O)Cc2ccccc2[N+](=O)[O-])n1 40510805 KXKQNQOBFUEXAJ-UHFFFAOYSA-N 303.278 1.079 50 40 DDGB Nc1c(C(=O)NNC(=S)NC2CC2)sc2ncccc12 19894301 LSTHSDXCZQNAKQ-UHFFFAOYSA-N 307.404 1.150 50 40 DDGB CC(C)CNC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 4699488 ZRFZZRGOBQIVAS-VXLYETTFSA-N 313.357 1.768 50 40 DDGB COc1cc(CNC(=O)CCl)c(CC(=O)O)cc1OC 15108586 SSXRYCSUNBXISZ-UHFFFAOYSA-N 301.726 1.186 50 40 DDGB N#C/C(C(N)=O)=C1/CCSc2ccc(S(=O)(=O)O)cc21 31938788 UZNGGGRAMAROTI-CSKARUKUSA-N 310.356 1.192 50 40 DDGB COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccccc1OC 96515886 ZXVSLMKATHCPBZ-GFCCVEGCSA-N 310.737 1.715 50 40 DDGB CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)OC(=O)[C@H]1C 100036858 GFZFELCFSBCPDB-YPMHNXCESA-N 305.330 1.918 50 40 DDGB NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 5161808 HMQYLXIISDGCRR-VXLYETTFSA-N 306.329 1.937 50 40 DDGB O=C1CC[C@@H](C(=O)NN=C(c2ccccc2)c2ccccc2)N1 66278294 BRPUIXWRKUDWAF-HNNXBMFYSA-N 307.353 1.834 50 40 DDGB COCCCNC(=O)/C(C#N)=C\c1ccc(OC)cc1OC 96663367 LNIBMPKQIMQFOA-LCYFTJDESA-N 304.346 1.763 50 40 DDGB CCOC(=O)COc1cc(/C=C(/C#N)C(N)=S)ccc1OC 408541593 CGYNZYAKCCVHQW-WDZFZDKYSA-N 320.370 1.830 50 40 DDGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O 35240403 QMDNKVVYYGQYTO-LZYBPNLTSA-N 300.274 1.768 50 40 DDGB COc1cccc(NC(=O)C(=O)N/N=C\c2cccc(F)c2)c1 210127120 OLUFDHNFMBRNMN-ZDLGFXPLSA-N 315.304 1.923 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)c2nc[nH]n2)cc1OC 5916030 UBGGQADNSPTQJT-LZYBPNLTSA-N 301.306 1.142 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NC2CCCC2)c1 59515572 DMMIUNPJYZWMIZ-LDADJPATSA-N 315.373 1.760 50 40 DDGB CC[C@@H](NNC(=O)c1ccc(C)cc1)C(=O)Nc1cc(C)on1 14200135 KVCVPNACVMKOIM-CYBMUJFWSA-N 316.361 1.943 50 40 DDGB C[C@@H](Oc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1)C(=O)O 96298143 HDWMNMYBLZIXCR-CEXMDJMXSA-N 300.314 1.724 50 40 DDGB Cc1c(C(=O)N/N=C/c2cccnc2)sc2ncnc(N)c12 408972403 BMAPPWDUHGRFDA-KPSZGOFPSA-N 312.358 1.741 50 40 DDGB CC(=O)NNC(=O)COc1nc(Cl)c(Cl)cc1Cl 36719686 FODUQQZUGQRXNJ-UHFFFAOYSA-N 312.540 1.588 50 40 DDGB CCC[C@@H](NC(=O)NNC(=O)c1cnccn1)c1ccccc1 32795369 AKQIGQRENNODBN-CYBMUJFWSA-N 313.361 1.962 50 40 DDGB CCCN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21 101477745 YZGPJIRDSWHAEK-XDJHFCHBSA-N 308.341 1.972 50 40 DDGB CCCOc1ccc(C(=O)NNC(=O)c2cccnc2O)cc1 12994662 MJOJVBWRGNBNES-UHFFFAOYSA-N 315.329 1.651 50 40 DDGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)C(=O)NC(C)(C)C 18996377 IHTCIUAVHBFOHX-YBFXNURJSA-N 324.425 1.232 50 40 DDGB CC(C)(C)OC(=O)N1C[C@@H](C(=O)NN)C[C@@H]1c1ccccc1 90613035 OGXXQNCHURBYLX-QWHCGFSZSA-N 305.378 1.975 50 40 DDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1O 340428 VBYFOEHBDCFORF-LICLKQGHSA-N 322.328 1.196 50 40 DDGB CCCNC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 3080353 UEULTMWZYYSYQI-FRKPEAEDSA-N 302.161 1.970 50 40 DDGB N#C[C@@H](O)C(Br)(Br)Br 104033888 YRVKHDJXSXWQKB-UWTATZPHSA-N 307.767 1.709 50 40 DDGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC 6294484 KUIQMYVRBMGFMO-CXUHLZMHSA-N 302.334 1.889 50 40 DDGB CCOC(=O)[C@@H](C)/C(C)=N/NC(=O)Cc1ccc(OC)cc1 12572732 NVUHPBLWVSCVBK-GBTTUNCCSA-N 306.362 1.929 50 40 DDGB CCOC(=O)Cc1nc(/C(C#N)=C\c2ccco2)nc(O)c1C#N 8656060 OQJVIXHCPDRPPS-POHAHGRESA-N 324.296 1.817 50 40 DDGB N#CC1=C(N)Oc2ncnc(O)c2[C@H]1c1ccnc2ccccc12 18200932 HDYAKNYCCNKLLK-ZDUSSCGKSA-N 317.308 1.949 50 40 DDGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1ccc(OC)cc1 96519140 VQNFYQOUELKJRU-MNOVXSKESA-N 323.208 1.884 50 40 DDGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1NC(=O)c1ccccc1 8334485 JKXJUACRHDERBN-YBFXNURJSA-N 323.356 1.853 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@H]2CNCC=C12 226535 OQFZNBNDGIPUEI-GOEBONIOSA-N 319.343 1.839 50 40 DDGB NC(=O)[C@@](O)(c1ccc(Br)cc1)C(Cl)Cl 6512670 DEDUXDGYCBWVLO-SECBINFHSA-N 312.978 1.926 50 40 DDGB O=C(NNC(=S)NCCc1ccccc1)c1cccnc1 2784585 FYTQQVNEWKFPFJ-UHFFFAOYSA-N 300.387 1.433 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2n[nH]c3ccccc23)cc1 12540413 IZAUWNDIUYHEMA-UHFFFAOYSA-N 324.340 1.575 50 40 DDGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)NC1CCCC1 409192236 BNSSHCRNXFKYGP-LCYFTJDESA-N 313.357 1.516 50 40 DDGB COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN(C(C)C)C1 1565649205 WXIHPFZYEXASCY-CYBMUJFWSA-N 319.405 1.577 50 40 DDGB CO[C@@]1(CCC(N)=O)CCCN(C(=O)/C(C#N)=C/C(C)C)C1 585289990 PJUGJRPDJNUUQX-LRFDDAOPSA-N 307.394 1.365 50 40 DDGB N#C/C(=C/c1ccco1)C(=O)NS(=O)(=O)C[C@H]1CCCCO1 102140224 VNZRMEUUNDPJPQ-BIRHUZIMSA-N 324.358 1.202 50 40 DDGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 264967 FJUQRDVOIDKELN-UHFFFAOYSA-N 303.249 1.809 50 40 DDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)cc1 59433190 SSLQAYCBIAAICE-QGMBQPNBSA-N 313.313 1.683 50 40 DDGB CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21 20267113 ZCSNMQIXFWMYNN-CYVLTUHYSA-N 323.356 1.081 50 40 DDGB O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1cccnc1 2316312 CGFQAUHJSUOIQO-UHFFFAOYSA-N 318.333 1.170 50 40 DDGB NNC(=O)CSc1nnc(SCc2ccccc2)s1 36724704 FOKLNJAPUHKFAT-UHFFFAOYSA-N 312.445 1.912 50 40 DDGB Cc1occc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1 318787 QREDJXSAFFXZNV-UHFFFAOYSA-N 314.750 1.865 50 40 DDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1 184198 FOVHMBKVNLKZHK-AWEZNQCLSA-N 300.314 1.950 50 40 DDGB COc1cccc(NC(=S)NNC(=O)c2ccncc2)c1 3119223 CSNLUJBLISZGNT-UHFFFAOYSA-N 302.359 1.722 50 40 DDGB Cc1ccc(/C=C/S(=O)(=O)NNC(=O)c2cccn2C)cc1 55574797 KPDZGIWIKGYQGE-PKNBQFBNSA-N 319.386 1.569 50 40 DDGB CCN1C(=O)[C@H](C)S/C1=C(\C#N)C(=O)NCc1ccco1 12604530 OHUHXDINDKZGNJ-YANUDECOSA-N 305.359 1.615 50 40 DDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1 9235667 LAGJMECVGIMZSK-CQSZACIVSA-N 309.325 1.910 50 40 DDGB O=C(CCc1ccccc1)NC1CCN(C(=O)CCl)CC1 68583659 FAOLAOWVDJFROM-UHFFFAOYSA-N 308.809 1.965 50 40 DDGB in-vitro CO[Si](CCCNCCNCc1ccccc1)(OC)OC 195760655 LRDRGASHPNRJHP-UHFFFAOYSA-N 312.486 1.634 50 40 DDGB COCCNC(=O)/C(C#N)=C/c1ccc(OC)c([N+](=O)[O-])c1 255055320 GSZCJXOSWYSZIQ-YRNVUSSQSA-N 305.290 1.273 50 40 DDGB N#Cc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 409183802 UTVZQCWFMHMWOL-VXLYETTFSA-N 307.309 1.980 50 40 DDGB COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1OC 233718 COJOCUJWQMASSU-MHWRWJLKSA-N 308.334 1.307 50 40 DDGB NC(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1 1605001 ZOXBOZFLMAHAQY-CXUHLZMHSA-N 303.193 1.973 50 40 DDGB CC[C@H](NCC(=O)NNC(=O)c1ccco1)c1c(C)noc1C 97111149 OXYAIPKEWXLKPT-NSHDSACASA-N 320.349 1.386 50 40 DDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc(F)c1 4614422 XETHCSJRWIGIHI-OVCLIPMQSA-N 306.257 1.131 50 40 DDGB CC(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408776467 ZOUBPLCWHRILDJ-OQLLNIDSSA-N 321.358 1.228 50 40 DDGB CC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(Cl)cc21 223740010 RAWZPNGGMKUWOT-VBKFSLOCSA-N 309.778 1.642 50 40 DDGB O=C1[C@@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@H]1[C@@](F)([C@@H]42)[C@@H]5I 195528794 RUJMCBCIMWTKLD-LZCWNUQSSA-N 304.102 1.839 50 40 DDGB CS(=O)(=O)[C@@H](Br)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519019 CSQZUQOSJXSUJZ-DTWKUNHWSA-N 324.152 1.394 50 40 DDGB Cc1cc(C)n(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 188778 XLOZVDLJRZBCFP-OVCLIPMQSA-N 301.306 1.558 50 40 DDGB O=C(NCc1ccncc1)C(=O)N/N=C/c1cccc(Cl)c1 59459491 KPCUZGMLCMPRMW-VXLYETTFSA-N 316.748 1.502 50 40 DDGB O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1 7519780 DVZOQEMSIRDQNE-UHFFFAOYSA-N 306.343 1.392 50 40 DDGB C/C(Cn1c(CCl)nc2ccccc2c1=O)=N\NC(N)=O 14360460 ASQMCZDVAMXKPE-CAOOACKPSA-N 307.741 1.180 50 40 DDGB C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc2c(c1)OCCO2 5620824 ZEQNWCRXZOMRKE-GZTJUZNOSA-N 320.345 1.451 50 40 DDGB COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccncc1 525179 DXOQVZZNSJGBMG-LLVKDONJSA-N 305.721 1.555 50 40 DDGB Cc1ccc(OCC(=O)N/N=C/c2ccc[nH]2)c([N+](=O)[O-])c1 523012 LJWRKKLLHLBURL-LZYBPNLTSA-N 302.290 1.760 50 40 DDGB CC[C@@H]1S/C(=C(\C#N)C(N)=O)N(c2ccc(F)cc2)C1=O 2372875 PNGUYBLNBKYBDN-IWQAVIMZSA-N 305.334 1.905 50 40 DDGB CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1 320278 YPBSRXUEVHQUDM-UHFFFAOYSA-N 303.343 1.781 50 40 DDGB CC(=O)NC(=S)NNC(=O)c1ccc(Br)cc1 2064482 DQPODUDKICMSIX-UHFFFAOYSA-N 316.180 1.105 50 40 DDGB COCCn1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 3335227 ZMDQNPYLBHXMPM-WOJGMQOQSA-N 300.362 1.910 50 40 DDGB Cc1ccc(C(=O)NNS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1 9871821 OVYURRMPQCXGCB-UHFFFAOYSA-N 322.390 1.267 50 40 DDGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(N)=O 409006269 IMSIHMACCHKNCV-WQLSENKSSA-N 300.318 1.977 50 40 DDGB C/C(=N\NC(=O)c1snnc1C)c1ccc([N+](=O)[O-])cc1 256055513 JMLLGIHGACEXRN-NTUHNPAUSA-N 305.319 1.909 50 40 DDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccco2)c1 13922833 NRWLLHDIKVGODE-CXUHLZMHSA-N 317.301 1.386 50 40 DDGB O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1ccco1 4950492 YQXOBDPHTMPDDR-AATRIKPKSA-N 321.383 1.690 50 40 DDGB CN1/C(=C\C=N\NC(=O)Cn2cncn2)C(C)(C)c2ccccc21 12524137 LFTPPDHQGZVJIS-UVKJQNLVSA-N 324.388 1.692 50 40 DDGB CCOC(=O)c1cc(C(=O)OCC)n(CCBr)n1 21986602 UUVHLLQMLWTCHF-UHFFFAOYSA-N 319.155 1.631 50 40 DDGB O=C(NC(=S)NNC(=O)c1ccco1)c1ccc(F)cc1 2330527 HWNCPNFBIMSDEA-UHFFFAOYSA-N 307.306 1.368 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)s1 84205178 NLTSAXSVBNPBBO-GHMZBOCLSA-N 304.375 1.355 50 40 DDGB Cn1nc(C(=O)N/N=C2\C[C@H]3C=CC[C@H]23)c2ccccc2c1=O 8341802 PSULSGMMPCSRPL-SQOMMQFJSA-N 308.341 1.615 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2)c(OC)c1 60217 YEMQCTFXAHXEQT-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB O=C(Nc1ccc(Cl)cc1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 5513680 LQWIYCFLTIBLQT-ZJUUUORDSA-N 323.201 1.866 50 40 DDGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCC(F)(F)F)C(=O)OC2=O 100748412 GLOGKLLPPPTWTD-NWDGAFQWSA-N 307.268 1.561 50 40 DDGB O=S(=O)(N[C@@H](CCl)CBr)c1ccccc1 1711122 AXDRJPPWZRLZRT-MRVPVSSYSA-N 312.616 1.967 50 40 DDGB CCCNC(=O)C/C(C)=N/NC(=O)c1ccc(OC)c(OC)c1 4713756 PSCQKAVMRQBPCE-WOJGMQOQSA-N 321.377 1.726 50 40 DDGB COc1ccccc1/C=N/NC(=O)C(=O)N1CCC(C)CC1 3089129 NFQFIMXKXAOXEI-GZTJUZNOSA-N 303.362 1.404 50 40 DDGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccco2)s1 107964476 VYVONRMRQUXMQB-NTUHNPAUSA-N 307.335 1.172 50 40 DDGB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NNc1ncnc2ccccc12 3411375 ARBSLLIACCCKSF-GHMZBOCLSA-N 312.329 1.740 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1 409005329 HURJIKNLOQBKGD-LDADJPATSA-N 317.389 1.984 50 40 DDGB COc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1C(=O)NN 45957668 SSQRTCKCFCXUKG-SECBINFHSA-N 308.338 1.586 50 40 DDGB O=C(COc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])cc1 3168100 CKLGZRVDRIGHFE-CXUHLZMHSA-N 315.285 1.830 50 40 DDGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN 5727156 ULIKJGUBTJMIDM-AWEZNQCLSA-N 318.377 1.451 50 40 DDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2F)c1 2638762 YBYDZKMNDTWFBD-UHFFFAOYSA-N 318.304 1.918 50 40 DDGB CC(=O)NNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 495515 GZIYORJYYIBHQE-UHFFFAOYSA-N 322.390 1.309 50 40 DDGB C[C@]1(NC(=O)OC(CCl)CCl)CCS(=O)(=O)C1 59568368 QQMLTMQKYGHLPL-VIFPVBQESA-N 304.195 1.136 50 40 DDGB C/C(=N\NC(=O)c1ccco1)c1ccc(OCC(N)=O)cc1 17030646 HYUVONSLXKHXIZ-LICLKQGHSA-N 301.302 1.298 50 40 DDGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)NN)o1 226256914 SBKNKTKKEKFQTR-QPJJXVBHSA-N 303.274 1.867 50 40 DDGB COc1ccccc1/C(C)=N/NC(=O)Cn1nc2ccccc2n1 5620952 KXVLIWCGHZHBOQ-LDADJPATSA-N 323.356 1.980 50 40 DDGB O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCCCCl 85409617 ILJALWYTJAFRNV-UHFFFAOYSA-N 305.721 1.311 50 40 DDGB O=C1NCCC[C@H]1C(=O)N/N=C/c1ccc(Br)cc1 236630 MDKUBXMAHBZYSG-FNQVVVRFSA-N 324.178 1.425 50 40 DDGB CC(C)(C)NNC(=O)c1ccc(C(=O)NNC(C)(C)C)cc1 36994 DTNKDZHTCISTCH-UHFFFAOYSA-N 306.410 1.752 50 40 DDGB CC1([N+](=O)[O-])COP(=O)(N(CCCl)CCCl)OC1 1609689 FBEDZIRTFUNSQS-UHFFFAOYSA-N 321.097 1.956 50 40 DDGB CCOC(=O)N(CCCCN(C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-] 4778133 MVSZYXXQOBGUEQ-UHFFFAOYSA-N 322.274 1.067 50 40 DDGB Cc1cc(C)nc(NNC(=O)c2cccc(C[S@](C)=O)c2)n1 22235911 MFGINKXJNYYGOC-JOCHJYFZSA-N 318.402 1.729 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@@H]1[N+](=O)[O-] 47295786 XYRRVVMEPWRKPM-NTFARNBISA-N 307.350 1.015 50 40 DDGB CC(=O)NNC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 22996446 XBFLIUOYEDRFBG-UHFFFAOYSA-N 315.173 1.900 50 40 DDGB CSCC[C@@H](N)C(=O)N/N=C/C1=Cc2ccccc2OC1 1879372 UOLYGICLPBLFSX-LFMVTYOGSA-N 305.403 1.645 50 40 DDGB O=C(N/N=C\c1cccc(S(=O)(=O)O)c1)c1ccncc1 31938365 PNWDBDXZYGISDO-DHDCSXOGSA-N 305.315 1.092 50 40 DDGB O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1ccncc1 5731251 PVWPHMHEVWFDII-UHFFFAOYSA-N 300.705 1.821 50 40 DDGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1ccncc1 12456558 JVAMWFLEGROFBT-UHFFFAOYSA-N 313.313 1.204 50 40 DDGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccccc1 2699302 MLMDSAPNHYWIIW-UHFFFAOYSA-N 305.384 1.697 50 40 DDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)nn(C)c1C 372365 HZCMUGSTNYDNLH-AWEZNQCLSA-N 316.361 1.682 50 40 DDGB COc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1OC 487254 BAXVYXTWKFMDOJ-LZNAANCOSA-N 314.341 1.888 50 40 DDGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CC#N)cc1OC 4739393 NIYWIIWRYXJETB-RQZCQDPDSA-N 305.721 1.724 50 40 DDGB NC(=O)[C@@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 26222429 FRWUDARAPULTQX-HNNXBMFYSA-N 317.776 1.730 50 40 DDGB COc1ccc(Cl)cc1C(=O)NNC(=O)Cn1ccnc1 10809926 ANXBYCBZHVZAFW-UHFFFAOYSA-N 308.725 1.006 50 40 DDGB COCCNC(=O)c1cccc(NC(=O)CBr)c1 35605308 NKONSKCSJUSZNI-UHFFFAOYSA-N 315.167 1.396 50 40 DDGB COc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1 6342221 CVRWTZFQQRAOJM-UHFFFAOYSA-N 302.305 1.838 50 40 DDGB Cn1ncc([N+](=O)[O-])c1C(=O)N/N=C/c1c[nH]c2ccccc12 368641 QHHCZHFCFWKUJN-FRKPEAEDSA-N 312.289 1.574 50 40 DDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1 3186057 SADHIZPTHYEWIS-UHFFFAOYSA-N 321.358 1.100 50 40 DDGB CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)c1ccncc1 1777825 RUCAFSJZMINQIY-PTNGSMBKSA-N 321.340 1.623 50 40 DDGB O=C(NCc1ccccn1)C(=O)N/N=C/c1cccc(Cl)c1 59515983 IYMKTYDRUOZCNA-DJKKODMXSA-N 316.748 1.502 50 40 DDGB CC[C@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(F)cc2)C1=O 2372881 PNGUYBLNBKYBDN-UXEDPAHQSA-N 305.334 1.905 50 40 DDGB COc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1O)C(=O)N2 18255013 MEXUTWWJDFNIAL-UHFFFAOYSA-N 311.297 1.487 50 40 DDGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1 2064452 JSIFDUAOMPCNMK-UHFFFAOYSA-N 313.382 1.944 50 40 DDGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)cc1 543312 QQSKAYCBUWFQRI-OAHLLOKOSA-N 323.352 1.562 50 40 DDGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 23217237 QIIPYJOWDKTSOC-GXDHUFHOSA-N 316.357 1.930 50 40 DDGB Cc1nn(CC(=O)N/N=C/c2c(C)nn(C)c2F)cc1Cl 252492455 MMWDQZQBSCGDIM-SYZQJQIISA-N 312.736 1.176 50 40 DDGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 5428775 WGVBXQBVGNWDNO-UHFFFAOYSA-N 301.258 1.375 50 40 DDGB COC(=O)Cn1nc(Br)cc1CBr 1857780937 HYCCSNLRRUZCJG-UHFFFAOYSA-N 311.961 1.714 50 40 DDGB NNC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 1712190 XHBGHZUKMSXPKB-SSHXOBKSSA-N 308.337 1.584 50 40 DDGB O=C(N/N=C/c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885137 HGCFXXRDPYLWQR-CXUHLZMHSA-N 313.273 1.079 50 40 DDGB Clc1cccc(O[Si]23OCCN(CCO2)CCO3)c1 195771161 FWXYUKRQLHUCQP-UHFFFAOYSA-N 301.802 1.533 50 40 DDGB C[C@H](CCl)OP1(=O)C[C@@](C)([N+](=O)[O-])[C@](C)([N+](=O)[O-])C1 230305542 GWVWTNYIUVYKNF-IWSPIJDZSA-N 314.662 1.993 50 40 DDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccs1 2283057 AIVSXWDDGKNAEA-CAOOACKPSA-N 305.334 1.767 50 40 DDGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(O)cc1 30735369 KLPMPPSIDXYJHK-YBLWIXCNSA-N 323.352 1.372 50 40 DDGB COc1ccc(/C=N/NC(=O)c2nonc2C)cc1[N+](=O)[O-] 370045 LRZUQDLRRYEGFH-AWNIVKPZSA-N 305.250 1.059 50 40 DDGB COC(CCO[P@@](N)(=O)N(CCCl)CCCl)OC 104199493 WFMARUXQFGWHKM-GOSISDBHSA-N 323.157 1.858 50 40 DDGB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNc1ncccn1 96257581 IPIGQRUNRHORFU-IGLBNKAOSA-N 321.406 1.178 50 40 DDGB CC(C)(CC(=O)O)CC(=O)OC(=O)CC(C)(C)CC(=O)O 113288348 FGTSBXMZVJKMFV-UHFFFAOYSA-N 302.323 1.838 50 40 DDGB COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)C(F)F 32624754 CHNMIDRTPCMJDG-UHFFFAOYSA-N 311.244 1.836 50 40 DDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OC)cc1OC 7782464 UXTKLUGKOQUVGI-VCBXAZPMSA-N 307.350 1.069 50 40 DDGB Cc1cc2c(cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1)OCO2 34718715 CNAURGMPXUBKCC-BLXFFLACSA-N 314.341 1.926 50 40 DDGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(SC)cc1 33928027 KNUWZKBSBJJHLN-BOPFTXTBSA-N 323.418 1.401 50 40 DDGB COc1cc(Br)c(Br)cc1C(=O)NN 45957519 OGQAUYHIPWQTRR-UHFFFAOYSA-N 323.972 1.824 50 40 DDGB CC(C)(C)[C@H](O)[C@H](I)S(C)(=O)=O 96519216 TZKRNUIHUDABLG-PHDIDXHHSA-N 306.165 1.199 50 40 DDGB Cc1cc(NC(=O)/C(C#N)=C2\C(=O)N(C)c3ccccc32)no1 61718863 YWRMMVQVAXAIRJ-KAMYIIQDSA-N 308.297 1.875 50 40 DDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc[nH]1 9752204 AMKJYFXFMSHPJE-UHFFFAOYSA-N 311.139 1.191 50 40 DDGB COCCCNC(=O)C(=O)N/N=C(\C)CCc1ccccc1 58885635 YJSQXJGILIXBRC-QGOAFFKASA-N 305.378 1.264 50 40 DDGB COC(=O)NNC(=O)COc1ccc(Br)cc1 1794775 ICASAWCDDZLRFC-UHFFFAOYSA-N 303.112 1.215 50 40 DDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccco1 2207379 MCYJXQZZQNDVJV-CYBMUJFWSA-N 304.302 1.551 50 40 DDGB COCC1=C(C(=O)OC)[C@H](c2ccccc2C)C(C#N)=C(N)O1 4729310 HHXNFCGXGPTNQV-CQSZACIVSA-N 314.341 1.876 50 40 DDGB CC1(C)[C@]2(CBr)CC[C@@]1(C(=O)NCCN)CC2=O 85398702 SLJPYMKLSUONLE-STQMWFEESA-N 317.227 1.222 50 40 DDGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccnc1 365386 HDRZIOSYUPGYQZ-CXUHLZMHSA-N 300.274 1.519 50 40 DDGB COc1ccc2[nH]cc(CCNC(=O)CNC(=O)CCl)c2c1 2109842 CIPWISZBSINZLM-UHFFFAOYSA-N 323.780 1.190 50 40 DDGB biogenic CNC(=O)NNC(=O)COC(c1ccccc1)c1ccccc1 56376633 QKGHJJLXJIGGPI-UHFFFAOYSA-N 313.357 1.753 50 40 DDGB O=C(NNC(=S)Nc1ccc(F)cc1F)c1ccccn1 16211040 ASKNTHDTYDGSPH-UHFFFAOYSA-N 308.313 1.991 50 40 DDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C\c1cccs1 15979700 AIVSXWDDGKNAEA-IUXPMGMMSA-N 305.334 1.767 50 40 DDGB Cc1ccc(O)c(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1 40177573 YTKDKXOYFRWXSR-JTQLQIEISA-N 317.794 1.460 50 40 DDGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccccc1O 13549977 XJIOKFGAOHRXNL-YBFXNURJSA-N 312.329 1.922 50 40 DDGB C=C1CC(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1 6158249 NRMBYADNVBKZKG-MKMNVTDBSA-N 320.261 1.625 50 40 DDGB COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(OC)cc1 57509210 UUMSJHOBCKTIME-LBPRGKRZSA-N 310.737 1.715 50 40 DDGB O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1nc[nH]c1[N+](=O)[O-] 8566795 SDKHDXOHEQMDBE-SFNNOLORSA-N 320.221 1.248 50 40 DDGB CN(C)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 5657866 PTLYGSZJKGHAQK-UHFFFAOYSA-N 301.321 1.967 50 40 DDGB N#CC1=C(N)Oc2ncnc(O)c2[C@H]1c1ccc2c(c1)OCO2 9419168 QAOLAKRTRAWYIL-NSHDSACASA-N 310.269 1.129 50 40 DDGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)NCCOC)cc1 408859165 MHCVTNGGSNPTSJ-GXDHUFHOSA-N 302.330 1.533 50 40 DDGB COc1cccc(N(C(=O)CCl)[C@@H]2C=CS(=O)(=O)C2)c1 40177660 YTDYDQABXCOLBL-LLVKDONJSA-N 315.778 1.578 50 40 DDGB NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccs1 5127878 VUSURLYJKKYVKJ-OBGWFSINSA-N 313.338 1.839 50 40 DDGB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1 6382087 CYBRLDUCIDMNNH-ZSOIEALJSA-N 310.313 1.437 50 40 DDGB CC(=O)NNC(=O)c1cccc(I)c1 343009 TYLLZABGZDFOGT-UHFFFAOYSA-N 304.087 1.072 50 40 DDGB CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 59515487 NTCLSXKHQGOBNQ-SFQUDFHCSA-N 303.362 1.548 50 40 DDGB CCCCc1[nH]nc2c1[C@@]1(CN3CCC1CC3)C(C#N)=C(N)O2 39325597 QIGAOJFBEHVVAU-QGZVFWFLSA-N 313.405 1.802 50 40 DDGB Cn1cccc1C(=O)NNC(=O)C1=NO[C@H](c2ccccc2)C1 64708419 ZQRGAVOLNYSEMH-AWEZNQCLSA-N 312.329 1.304 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1ccc2c3c(cccc13)CC2 19797832 ZMGMGOOTXOUNDX-UDWIEESQSA-N 323.396 1.721 50 40 DDGB Cc1ccc2c(c1)C(=C(C#N)C#N)C(=O)N2CCN1CCOCC1 20533462 HKMNYBPTHBQNRO-UHFFFAOYSA-N 322.368 1.475 50 40 DDGB O=C(N/N=C/[C@@H]1CC=CCC1)C(=O)N/N=C/[C@@H]1CC=CCC1 5830294 UQXIGTNZDICMJB-ZZNHTJNQSA-N 302.378 1.903 50 40 DDGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(O)c([N+](=O)[O-])c1 37613828 JSWDGSIXYCIDAB-LZYBPNLTSA-N 300.274 1.768 50 40 DDGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccncc1 100510181 OBTUMNCQEPYGDT-WOJGMQOQSA-N 300.318 1.487 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)N3CCCC3)ccc21 409367931 OJJQTGCSQAUVRF-UKTHLTGXSA-N 310.357 1.406 50 40 DDGB CN(C)NC(=O)CCCCCNS(=O)(=O)c1ccccc1 40142957 KJUBNZWSYXSNSK-UHFFFAOYSA-N 313.423 1.118 50 40 DDGB Cn1cc(NC(=O)CBr)c(OCC(F)(F)F)n1 256051761 KKYPJBPHRDNAHO-UHFFFAOYSA-N 316.077 1.695 50 40 DDGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cccc(O)c3)nc2n1 131560 FJBBOMPEKZPNCM-LZYBPNLTSA-N 310.317 1.211 50 40 DDGB O=C(NNC(=S)NC(=O)c1ccco1)c1ccc(F)cc1 4899167 OHSHOWVQMFXDNB-UHFFFAOYSA-N 307.306 1.368 50 40 DDGB C/C(=N\NC(=O)c1cccnc1)c1cc([N+](=O)[O-])ccc1O 101158172 HHEOFOOKPLJLTP-CXUHLZMHSA-N 300.274 1.849 50 40 DDGB Nc1ccccc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 35391967 AHZSSSIGONWPTL-LZYBPNLTSA-N 300.274 1.647 50 40 DDGB Cc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 4550925 ZRPURDTUEHYXKV-WOJGMQOQSA-N 305.378 1.376 50 40 DDGB O=C(N/N=C1/CCCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 7324167 MNMXTBSXZQCVGR-WKSPDDFDSA-N 320.414 1.668 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)CN2CCCCC2)c(O)c1 4714647 JBXYXQCCKKDQAX-LDADJPATSA-N 317.389 1.893 50 40 DDGB O=C(N/N=C/c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 6651543 SGVSURRGTKDVQF-GIJQJNRQSA-N 310.288 1.826 50 40 DDGB CCOC(=O)c1ccc(N2N=C(N)[C@H](SC#N)C2=O)cc1 100998434 SUULHQWUOGVQFT-JTQLQIEISA-N 304.331 1.065 50 40 DDGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 59515317 GTYZGGTWGVHLMU-CXUHLZMHSA-N 306.322 1.207 50 40 DDGB CC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409067877 ROAPHPCJTKCTGH-NYYWCZLTSA-N 302.084 1.533 50 40 DDGB CCc1[nH]nc2c1[C@H](c1ccc(OC)c(O)c1)C(C#N)=C(N)O2 19624567 JYMZECRCFPICDD-CYBMUJFWSA-N 312.329 1.904 50 40 DDGB Cc1cc(C)c(/C=C/C(=O)NNC(=O)[C@H]2CCCO2)cc1C 32261958 RSUNQZXKZKLBPE-LQYUOIDQSA-N 302.374 1.951 50 40 DDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccccc1O 194013 SUARUFRBXLOCFP-GFCCVEGCSA-N 310.737 1.802 50 40 DDGB CCn1c(C)nc2cc(C(=O)NNC(=O)NCCCl)ccc21 3207193 HEKJMFOJOJMIBG-UHFFFAOYSA-N 323.784 1.547 50 40 DDGB O=C(CCl)NCC(=O)Nc1ccccc1Br 8754422 DXGOKDOZJCNWHG-UHFFFAOYSA-N 305.559 1.743 50 40 DDGB CCCc1n[nH]c2c1[C@@]1(CCN(C)C[C@@H]1C)C(C#N)=C(N)O2 4010292 FZCHSDCLWQAGAW-MGPLVRAMSA-N 301.394 1.658 50 40 DDGB O=C(O)/C=C\C(=O)NNC(=O)c1ccc(Cl)cc1Cl 33926784 UVLKLXAGHNEJRK-ARJAWSKDSA-N 303.101 1.395 50 40 DDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cc1 40512025 AFLVKNOOHRLZAR-UHFFFAOYSA-N 310.375 1.041 50 40 DDGB C=CCNC(=S)NNC(=O)c1c(C)nc2cc(C)ccn12 12966955 HGTXSBMFLFTMNU-UHFFFAOYSA-N 303.391 1.246 50 40 DDGB C[C@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CS(=O)(=O)O 100047628 MFEDKMBNKNOUPA-WPYKOPORSA-N 311.197 1.643 50 40 DDGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1O 3196624 MAMHPGPFCOABCK-CXUHLZMHSA-N 315.285 1.699 50 40 DDGB CC(C)(C)OC(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 12950021 QMCVTXKTBMDLKE-UHFFFAOYSA-N 307.306 1.187 50 40 DDGB Cc1occc1C(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 4651743 ZPRHAYJUTINVRW-DMWPJOQESA-N 306.318 1.096 50 40 DDGB CCc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)s1 6958904 WQQXMOMTVVOJRQ-VIFPVBQESA-N 313.448 1.598 50 40 DDGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)N1CCCC1 409368693 IDZFIFRJRZIQTJ-UKTHLTGXSA-N 300.314 1.679 50 40 DDGB Cc1cccc(OCC(=O)NNS(=O)(=O)c2ccccc2)c1 368051 HLJCOLJDYFUWRG-UHFFFAOYSA-N 320.370 1.384 50 40 DDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CC=CCC2)cc1 27593648 XWPYOKYBTZHTDT-NSHDSACASA-N 322.386 1.207 50 40 DDGB O=C(CCC(=O)N/N=C/c1ccco1)N/N=C/c1ccco1 1880496 CLNWLYHYTOUZNX-KAVGSWPWSA-N 302.290 1.253 50 40 DDGB Cc1ccc(NC(=O)NN(C)C(N)=O)c(Br)c1 95996470 YKQRZPPWYFNRCC-UHFFFAOYSA-N 301.144 1.805 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 205771454 HRSQDWFAZSAFJW-ACCUITESSA-N 319.361 1.176 50 40 DDGB CCOC(=O)C[C@H](Br)C(=O)CBr 1675293 GHCIEKOFCRTBJW-YFKPBYRVSA-N 301.962 1.667 50 40 DDGB O=C(C[C@@H]1C=CCC1)NNC(=O)c1n[nH]c(=O)c2ccccc12 7810510 XKOCWXDJOHSLBH-SNVBAGLBSA-N 312.329 1.040 50 40 DDGB C#CCNC(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 58357721 IZKSBZNCNGOSSN-UHFFFAOYSA-N 322.368 1.406 50 40 DDGB CC(C)(C)OC(=O)N1C[C@@H](C(=O)NN)C[C@H]1c1ccccc1 90613037 OGXXQNCHURBYLX-STQMWFEESA-N 305.378 1.975 50 40 DDGB CCCc1[nH]nc2c1[C@]1(CC[C@@H]3CO[C@@H]1O3)C(C#N)=C(N)O2 100236834 OFMOODVUJLVUEI-BKQRNIBNSA-N 302.334 1.222 50 40 DDGB CCN(CC)c1ccc(C(=O)NNC(=S)NCCOC)cc1 3265998 YSTBORALMRZJSX-UHFFFAOYSA-N 324.450 1.288 50 40 DDGB N#CC1=C(N)NC(S)=C(C(N)=O)[C@@H]1c1cccc(Cl)c1 4786139 QRPHCIYZJATCQV-SECBINFHSA-N 306.778 1.347 50 40 DDGB CC(C)[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)NN 5847164 FQMOKZGTUUTELV-MRXNPFEDSA-N 319.405 1.075 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 252496760 PRHFRYVJHGIZLB-VIZOYTHASA-N 305.269 1.540 50 40 DDGB Cc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 2224177 FFYJJEUCXAHWJU-WDEREUQCSA-N 302.783 1.521 50 40 DDGB CCNC(=O)c1sc(N2CCCC2)nc1NC(=O)CCl 33268213 DNPKKSNBBRNPBM-UHFFFAOYSA-N 316.814 1.670 50 40 DDGB CCc1ccc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1 9089519 KARPIMXBVUJEQC-GFCCVEGCSA-N 315.398 1.806 50 40 DDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccncc2)c1O 4721682 VRIGALNUIDHZTL-LZYBPNLTSA-N 316.273 1.468 50 40 DDGB Cc1ccc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 8141349 ABQQQFBBMUFHFF-UHFFFAOYSA-N 312.325 1.727 50 40 DDGB Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)sc(N)c1C#N 5724405 TYJUPBGDVVTKCJ-PJQLUOCWSA-N 319.302 1.776 50 40 DDGB O=C(Cl)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 11847757 AEOOTSAXQDURKP-UHFFFAOYSA-N 308.142 1.786 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1 16693922 RWBIPPJTNBGCLV-JYRVWZFOSA-N 312.285 1.729 50 40 DDGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(N)=O)cc1 408883125 SWZNXUQBAKPWLG-VCHYOVAHSA-N 313.313 1.917 50 40 DDGB Nc1nc(CC(=O)NNC(=O)/C=C/c2ccccc2)cs1 320575 CYMKJHJHFVNXAC-VOTSOKGWSA-N 302.359 1.129 50 40 DDGB CCOC(=O)/C(C#N)=C1\c2ccccc2C(=O)[C@]1(Cl)C(N)=O 1566344 IGUXUWANHXBVPW-NKSUMMKUSA-N 318.716 1.186 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2)n1C 104797975 OPRJTVLHZRHIDT-BENRWUELSA-N 313.386 1.900 50 40 DDGB CSCC[C@H](N)C(=O)N/N=C/c1ccc2ncccc2c1 1875824 CUIHUGWXUSDWIX-SGPNVBEDSA-N 302.403 1.765 50 40 DDGB C/C(=N\NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(O)cc1 6261750 KRDIJDYRJCESNC-MHWRWJLKSA-N 317.305 1.427 50 40 DDGB O=C(NNC(=O)c1cnns1)c1cccc(OC(F)F)c1 95947545 OKZZXKQKBBYZMZ-UHFFFAOYSA-N 314.273 1.214 50 40 DDGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccccn1 18044559 VDSXHBBWAMHYAF-YRIIZNAFSA-N 321.340 1.836 50 40 DDGB O=C(CNc1ccccc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 58652530 XDPXVUUBCHKZEH-RQZCQDPDSA-N 314.301 1.863 50 40 DDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccncc1 58884901 UMSRVJBQKHOUOZ-WOJGMQOQSA-N 312.329 1.569 50 40 DDGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 83817250 DIIIZVSVPFFEAZ-ZJWOPCONSA-N 310.419 1.826 50 40 DDGB O=C1[C@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](I)[C@@]3(F)[C@@H]12 195528792 RUJMCBCIMWTKLD-CBLCFSJOSA-N 304.102 1.839 50 40 DDGB Cc1nc(N)sc1C(=O)N/N=C/c1ccc(N(C)C)cc1 118942 KMIIKIRLAGYVOV-LZYBPNLTSA-N 303.391 1.864 50 40 DDGB CCN(CC)c1ccc2cc(C(=N)NNC(C)=O)c(=O)oc2c1 241139 KTHPGGRBPQRGRL-UHFFFAOYSA-N 316.361 1.605 50 40 DDGB biogenic CC1(C)[C@]2(C)CC[C@]1(C(=O)NNC(=O)c1ccccc1)OC2=O 100260596 CHTLQIFQGUUKDT-IAGOWNOFSA-N 316.357 1.570 50 40 DDGB O=C(NNC(=O)[C@H]1CC=CCC1)[C@@H]1COc2ccccc2O1 40457458 RUACITBKJYJNAZ-FZMZJTMJSA-N 302.330 1.330 50 40 DDGB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2ccco2)C1 2797372 PYAKEYKQNOLTRK-WDEREUQCSA-N 306.318 1.488 50 40 DDGB CCCCN1C(=O)/C(=N/NC(=O)c2cnccn2)c2ccccc21 13882024 FXYIKNUGKHLOBB-HMMYKYKNSA-N 323.356 1.757 50 40 DDGB O=C(N/N=C1/CCCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 7324168 MNMXTBSXZQCVGR-PERWBAPNSA-N 320.414 1.668 50 40 DDGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 5670489 WLIQREROCALVTC-FRKPEAEDSA-N 300.270 1.590 50 40 DDGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 49808 YMRQDRNBOCPIMT-JZJYNLBNSA-N 323.352 1.871 50 40 DDGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1440620 WQSQWAUXXJTBBR-RQZCQDPDSA-N 314.297 1.633 50 40 DDGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1cccnc1 420016 RDQVAEVPHNUENU-UHFFFAOYSA-N 309.281 1.263 50 40 DDGB CN1CCc2c(CBr)nc(N3CCCC3)nc2C1 72415041 PRUFOJSEIUDECX-UHFFFAOYSA-N 311.227 1.960 50 40 DDGB Cc1cc(C(=O)N/N=C/c2cc(O)ccc2Br)[nH]n1 32516044 ZOTFLNFVCNELBM-MKMNVTDBSA-N 323.150 1.950 50 40 DDGB C[C@@H](NC(=S)NNC(=O)c1ccnn1C)c1ccccc1 2795582 CKKOUOFTIBAMQB-SNVBAGLBSA-N 303.391 1.290 50 40 DDGB CCOc1ccccc1/C=N/NC(=O)C(=O)N1CCCCC1 59435562 SWJRYGGPNXEHBD-SFQUDFHCSA-N 303.362 1.548 50 40 DDGB O=C(CCl)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 11770603 WTGCGIBZJUIOAK-NSHDSACASA-N 303.742 1.708 50 40 DDGB Cc1cc(C)nc(NNC(=O)c2cnc3c(c2)c(C)nn3C)n1 12981264 ZEFOQBKYXDNQHB-UHFFFAOYSA-N 311.349 1.440 50 40 DDGB Cc1c(C(=O)NNC(=O)C2=COCCO2)oc2ccccc12 17448713 YPGGTFGBOWIMPN-UHFFFAOYSA-N 302.286 1.390 50 40 DDGB CCCC(=O)NNC(=O)CCc1nnc(-c2ccc(C)cc2)o1 9752086 WGUIXGIEDRNXBQ-UHFFFAOYSA-N 316.361 1.925 50 40 DDGB CN(C)S(=O)(=O)c1ccc(NC(=O)CBr)cc1 35604959 UXYAPTNEFQEYSH-UHFFFAOYSA-N 321.196 1.270 50 40 DDGB C/C(=N\NC(=O)Cn1nc([N+](=O)[O-])cc1C)c1ccncc1 4902377 KGVYYPPFXQTAIW-XNTDXEJSSA-N 302.294 1.035 50 40 DDGB CC(C)(C)[Si](C)(C)OC1CN(Cc2ccc(B(O)O)cc2)C1 224679216 TYYNPDWQSGWXHX-UHFFFAOYSA-N 321.302 1.572 50 40 DDGB CCOc1c(Br)cc(/C=N/NC(N)=O)cc1OC 7894997 IQSRKRZPSXBMNI-MKMNVTDBSA-N 316.155 1.859 50 40 DDGB CCOC(=O)NNC(=O)c1cc(Br)ccc1F 25322975 SGYVVTCZYBNGFF-UHFFFAOYSA-N 305.103 1.979 50 40 DDGB Cc1nc(N)sc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 35240410 IXQCFBLDIDTPEP-LHHJGKSTSA-N 321.318 1.411 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccc([S@@](C)=O)cc2)c(C)o1 69834817 UVIYYHCKJZEVLC-QFIPXVFZSA-N 320.370 1.709 50 40 DDGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CC2(C)OCCO2)c1 4502714 BOPSDNUWYDFINS-WOJGMQOQSA-N 319.361 1.638 50 40 DDGB C[C@]12CC[C@H](/C(=N/NC(=N)N)C1=O)[C@@]2(C)CBr 4194883 MWWIFFOPFPFRNH-FXRPYJSZSA-N 301.188 1.226 50 40 DDGB O=C(C[n+]1ccccc1)N/N=C/c1ccc(Br)cc1 2705189 KMPZFQMCVNUNBE-MHWRWJLKSA-O 319.182 1.887 50 40 DDGB COc1ccnc(NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)n1 46364920 QKKQMAXWMBUMJG-TVQRCGJNSA-N 316.317 1.157 50 40 DDGB C[C@]1([N+](=O)[O-])CP(=O)(OCCCl)C[C@]1(C)[N+](=O)[O-] 3173266 KGOQRHTVAHATBZ-YUMQZZPRSA-N 300.635 1.604 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(Cl)cc1 2775726 YNQDEYUCFSAYIZ-VXGBXAGGSA-N 324.764 1.992 50 40 DDGB COC(=O)[C@]1(NC(C)=O)C[C@H](C)C(Br)=C(C#N)O1 4267398 PZALUIGLSDVSNC-KGFZYKRKSA-N 317.139 1.178 50 40 DDGB biogenic N#CC1=C(N)n2ncnc2N[C@@H]1c1ccc(Br)cc1 18199258 RVOBRACCYGZJRY-SNVBAGLBSA-N 317.150 1.858 50 40 DDGB COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccncc1 59381743 OIABRFLNFLMMRK-GZTJUZNOSA-N 305.334 1.346 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 59515571 MJALTQLKPLAQLV-LDADJPATSA-N 315.373 1.760 50 40 DDGB CCn1c(C)cc2c(c1=O)[C@@H](c1cccnc1)C(C#N)=C(N)O2 2441990 QGVFLJMZLDJMDK-AWEZNQCLSA-N 308.341 1.790 50 40 DDGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1O 408970809 KOUCMSQNSHFLIJ-JSJZUPIVSA-N 307.350 1.156 50 40 DDGB CC(=O)N/N=C/c1cc(C(C)C)cc(/C=N/NC(C)=O)c1O 351533 KCVJUJSNWAFDGU-GDWCLCACSA-N 304.350 1.456 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] 16693975 YWSQRHHIBYJXEY-FLIBITNWSA-N 312.285 1.729 50 40 DDGB Cc1ccc(CNC(=O)CCl)c(C)c1NS(C)(=O)=O 16291406 ARWLBKVMVBQLKU-UHFFFAOYSA-N 304.799 1.530 50 40 DDGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1 7783822 MLXPYVZVNYLWTA-GZTJUZNOSA-N 313.313 1.933 50 40 DDGB O=C(Nc1ccc(C(=O)NNC(=O)C2CC2)cc1)NC1CC1 44872434 AKICTSYYITZDCJ-UHFFFAOYSA-N 302.334 1.142 50 40 DDGB CC(=O)NCc1ccc(-c2csc(NNC(C)=O)n2)cc1 8428414 NYWAEHUHSYFWRA-UHFFFAOYSA-N 304.375 1.909 50 40 DDGB Cc1cc2c(cc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1)OCO2 34718716 CNAURGMPXUBKCC-YGLIYXGISA-N 314.341 1.926 50 40 DDGB O=C(NNC(=O)c1ccc[nH]1)c1ccc(Br)cc1 32743623 MKBZMBXFNQVASX-UHFFFAOYSA-N 308.135 1.852 50 40 DDGB CC1=NOC(=O)[C@]12C(N)=C(C#N)C(C#N)(C#N)[C@H]2c1ccccc1 501153 PCKACTMTICUFCB-CXAGYDPISA-N 317.308 1.473 50 40 DDGB Cc1cc(C)nc(NC(=S)NNC(=O)c2ccccc2)n1 508104 SMCYHIZVRYFWBB-UHFFFAOYSA-N 301.375 1.725 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)on1 8938626 NDSVFICRKRMJOP-GFCCVEGCSA-N 317.345 1.828 50 40 DDGB CC(C)CN1CC[C@@H](C(=O)NNC(=O)c2ccccc2F)C1 79107548 UKUAFXYBJYDMJV-GFCCVEGCSA-N 307.369 1.565 50 40 DDGB COc1ccc(O)c(/C=N/NC(=O)Cn2nc(C)cc2C)c1 188775 NZUXNOXBAWWALL-LZYBPNLTSA-N 302.334 1.364 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 358757 WLDRPCLOEQRWOQ-QWHCGFSZSA-N 304.346 1.647 50 40 DDGB C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccccc1[N+](=O)[O-] 69417079 IZWUEYOHKCOUPF-MNOVXSKESA-N 309.322 1.622 50 40 DDGB Cc1ccc(O)c(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1 40177572 YTKDKXOYFRWXSR-SNVBAGLBSA-N 317.794 1.460 50 40 DDGB O=C1OC(=O)[C@@H]2CC[C@H]([C@@H]3CC[C@@H]4C(=O)OC(=O)[C@@H]4C3)C[C@H]12 169795894 SNHKMHUMILUWSJ-KUDAMMAASA-N 306.314 1.218 50 40 DDGB COc1cccc(C(=O)NNC(=O)Cc2ccccc2OC)c1 290048 GETTVAQNQIYKCM-UHFFFAOYSA-N 314.341 1.708 50 40 DDGB O=C(O)CC[C@@H](Br)[C@@H](Br)C(=O)O 1720123 NCYXNUHATKQYGV-NQXXGFSBSA-N 303.934 1.463 50 40 DDGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccco2)cc1 59516244 MNZYETUAQBVLPR-MUOOZZNISA-N 315.329 1.616 50 40 DDGB O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1cnccn1 28616260 MWKWYYCDCIGNKF-ZWSORDCHSA-N 304.693 1.623 50 40 DDGB C#CCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 18266033 SBMIWVJMIGPFHZ-MNDPQUGUSA-N 303.321 1.801 50 40 DDGB CCOC(=O)N1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@@H]2C#N 6621039 HREYHIMWOSCUGY-VIFPVBQESA-N 320.374 1.160 50 40 DDGB CCOC(=O)c1nc2c([nH]1)[C@@H](c1ccncc1)C(C#N)=C(N)O2 5686417 WXDNVTKIVXIVAJ-JTQLQIEISA-N 311.301 1.200 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnnn1-c1ccc(C)cc1 104717516 UVKWRYZYVSAKTD-BENRWUELSA-N 314.374 1.388 50 40 DDGB N#C/C(=C\c1cccs1)C(=O)NCCCN1CCOCC1 24303049 LGQSLYNWZKVTRI-ACCUITESSA-N 305.403 1.494 50 40 DDGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccco1 409371230 HDPNERMKCMTPGG-MHWRWJLKSA-N 313.269 1.964 50 40 DDGB COc1ccc(-c2ncc(C(=O)NN)c(N3CCCC3)n2)cc1 223459951 FCFBEJVROPYTKJ-UHFFFAOYSA-N 313.361 1.356 50 40 DDGB CS(=O)(=O)[C@@H](Br)[C@H](O)c1cccc([N+](=O)[O-])c1 96519017 CSQZUQOSJXSUJZ-RKDXNWHRSA-N 324.152 1.394 50 40 DDGB CCOC(=O)CNC(=S)NNC(=O)c1ccccc1Cl 6941011 HXUYTLURZZDYSR-UHFFFAOYSA-N 315.782 1.012 50 40 DDGB O=C(CC1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1 12998431 LRCFRMUVIGEUDV-CQSZACIVSA-N 304.346 1.554 50 40 DDGB N#CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1 6510793 RPCKLAAMGUCXOK-UHFFFAOYSA-N 312.285 1.207 50 40 DDGB COc1ccc(C(=O)NCC(=O)N/N=C(\C)c2ccco2)cc1 4859723 KNTOPQBZGKBRIV-WOJGMQOQSA-N 315.329 1.558 50 40 DDGB O=C(CCCl)Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408531528 OIOZIGZVXAVFHQ-UHFFFAOYSA-N 324.768 1.673 50 40 DDGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccc2c(c1)OCO2 3057785 YYGHQVGZERPVOO-CAOOACKPSA-N 305.334 1.028 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccc(N)cc2)ccc1OCC#N 3574305 FDDHXWNAOLWENI-RGVLZGJSSA-N 324.340 1.944 50 40 DDGB CC1=C(C#N)[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N1 4581033 VSKSRXVDANUMPB-LBPRGKRZSA-N 310.235 1.040 50 40 DDGB N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@H]1c1ccccc1Cl 494683 YYQGUSDMIKPCKY-VIFPVBQESA-N 316.704 1.347 50 40 DDGB Cn1cccc1CC(=O)NNC(=S)Nc1ccc(F)cc1 8774446 LUIZTXUDBWZDNA-UHFFFAOYSA-N 306.366 1.725 50 40 DDGB C=CCNc1nc(C(=O)OCC(=O)/C(C#N)=C(/C)N)cs1 104468099 FKLCUWPNZHMFCE-HJWRWDBZSA-N 306.347 1.223 50 40 DDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C)o2)c1 59483734 BOXBFOGEMFWLQP-CXUHLZMHSA-N 301.302 1.685 50 40 DDGB Cn1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cn1 8032798 PLHNOSFKTAGCHT-UHFFFAOYSA-N 318.402 1.825 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1cccc(C(F)(F)F)c1 408719977 QOZYANLQFDCRLO-GIJQJNRQSA-N 315.295 1.488 50 40 DDGB CC(C)Oc1ccc(CCC(=O)NNC(=O)/C=C/C(=O)O)cc1 27532626 WOPPCJKRRGWZIE-MDZDMXLPSA-N 320.345 1.195 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1 3059205 UEJRGADZHKNADE-SFQUDFHCSA-N 301.346 1.324 50 40 DDGB Cc1ccc(C(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cn1 35939882 HPNJWPIUCCHAMM-LZYBPNLTSA-N 300.274 1.768 50 40 DDGB Cc1occc1C(=O)NNC(=S)Nc1ccc2c(c1)OCO2 6572065 BDIWLXIWMDXLRW-UHFFFAOYSA-N 319.342 1.948 50 40 DDGB CN1C(=O)c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2C1=O 45958505 DPTFQPCRBBTOSR-ZETCQYMHSA-N 306.705 1.031 50 40 DDGB COc1ccc(-c2nc(C)cc(SCC(=O)NN)n2)cc1 225311080 MHONLNBXEJSHCE-UHFFFAOYSA-N 304.375 1.543 50 40 DDGB CCCn1c(O)c(C(=O)NNC(=O)CC)c(=O)c2ccccc21 6493391 XHQZKJDUNBFPQE-UHFFFAOYSA-N 317.345 1.288 50 40 DDGB Cc1cc(C)n2nc(C(=O)N/N=C/c3ccccc3C)nc2n1 131663 KAVYIIKAALNGTE-RQZCQDPDSA-N 308.345 1.813 50 40 DDGB O=C(NCc1ccncc1)C(=O)NN=C1CCCCCCC1 59459512 YHBHPTAWUQESTB-UHFFFAOYSA-N 302.378 1.914 50 40 DDGB COc1cc(C(=O)NNC(=O)C(C)C)cc(Cl)c1OC 15983530 BWDIRDYYQVTXBJ-UHFFFAOYSA-N 300.742 1.774 50 40 DDGB N#CC1=C(N)n2ncnc2N[C@H]1c1cccc(Br)c1 18199263 RFSMELRENQXNGK-JTQLQIEISA-N 317.150 1.858 50 40 DDGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(N)=O 408833346 UIPLNRIOBOOLLS-LREOWRDNSA-N 315.112 1.849 50 40 DDGB COc1ccc(NC(=O)C(=O)N/N=C\c2cccc(F)c2)cc1 33604174 FJIULGHLYYFFFN-ZDLGFXPLSA-N 315.304 1.923 50 40 DDGB CCS(=O)(=O)[C@H](Br)C(=O)c1cccc(N)c1 96517879 LPWVUYVHZUZUKR-JTQLQIEISA-N 306.181 1.607 50 40 DDGB O=C(NN/C=C1\C(O)=NN=C1C(F)(F)F)c1ccccc1O 3210312 NTKUGMJFWJISLK-ALCCZGGFSA-N 314.223 1.399 50 40 DDGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@@H]1c1ccc(O)cc1 5570117 KGRHWIGWTSSMDC-NRUUGDAUSA-N 324.262 1.664 50 40 DDGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)C[n+]2ccccc2)cc1 5826585 CNSWZCVYVDRBBC-AQTBWJFISA-O 312.349 1.440 50 40 DDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cnccn1 5787789 DFHHYYXNWMOCKS-UHFFFAOYSA-N 314.389 1.844 50 40 DDGB Nc1nnc(CC(=O)N/N=C/c2c[nH]c3ccccc23)s1 59485 DCCCJYXMMFPKOR-FRKPEAEDSA-N 300.347 1.294 50 40 DDGB C[C@@H]1CC(C)(C)[C@@H](CNC(=O)CCl)[C@H]1NC(=O)CCl 102674553 AXNCLGOFPPLGAX-PTRXPTGYSA-N 309.237 1.747 50 40 DDGB O=C(NNC(=O)c1ccccc1O)c1cc(-c2ccccc2)[nH]n1 17575917 XVGRXAOJXNFGAU-UHFFFAOYSA-N 322.324 1.857 50 40 DDGB CN1CCN(S(=O)(=O)c2cccc(C(=O)Cl)c2)CC1 34741597 VRVPMSJUIOYDJS-UHFFFAOYSA-N 302.783 1.002 50 40 DDGB COc1ccccc1CC(=O)NNC(=O)c1cccc(O)c1 9953530 JYACLMSDFMHOLX-UHFFFAOYSA-N 300.314 1.405 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(OC(F)F)c1 104497701 YHXNEAXBKVIHBW-FLIBITNWSA-N 310.256 1.770 50 40 DDGB CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccco2)cc1 58883232 ONQCZVGPTOMCKS-NVMNQCDNSA-N 315.329 1.445 50 40 DDGB Cn1cccc1CC(=O)NNC(=O)c1ccc2ccccc2n1 5859787 QBHSUQBGVHVJTF-UHFFFAOYSA-N 308.341 1.577 50 40 DDGB Cc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C(=O)N2 3065484 XYCZTMULGAHUCE-UHFFFAOYSA-N 324.296 1.989 50 40 DDGB Cc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Br)cc1 8638212 LFRMOCBJSLEJDB-MRVPVSSYSA-N 306.181 1.583 50 40 DDGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccnc1 12976372 CQDKWIOWXHYTDW-UHFFFAOYSA-N 307.712 1.878 50 40 DDGB NNC(=O)CNC(=O)c1sc2cc(Cl)ccc2c1Cl 408972723 VQXRTWWLCMGMFY-UHFFFAOYSA-N 318.185 1.928 50 40 DDGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1ccc(F)cc1 408938344 LMMOQKVJKKCCSK-QGMBQPNBSA-N 302.309 1.169 50 40 DDGB O=C(NCC1CCN(C(=O)CCl)CC1)c1ccsc1 91353411 PDSRMHABZZTNOB-UHFFFAOYSA-N 300.811 1.955 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1O 16694075 WUUVBMOCZJFQKP-POHAHGRESA-N 314.257 1.093 50 40 DDGB O=C(NNC(=S)Nc1cc(F)cc(F)c1)c1ccncc1 17031675 SHHZXHXCZAOVIE-UHFFFAOYSA-N 308.313 1.991 50 40 DDGB C=CCc1cccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)c1O 17860663 QWCHCJOTIIPVJJ-CXUHLZMHSA-N 300.318 1.242 50 40 DDGB O=C(N/N=C\c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 30702663 WLIQREROCALVTC-APSNUPSMSA-N 300.270 1.590 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1 7785854 JRADHFPWSYPQTF-RQZCQDPDSA-N 301.302 1.055 50 40 DDGB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1 3399282 CEMCLKQOSYFSLZ-VIFPVBQESA-N 304.799 1.939 50 40 DDGB N#CCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 20247973 YGJOXGWWUYFHTO-UHFFFAOYSA-N 307.107 1.135 50 40 DDGB NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1F 226319448 IIBMGUUMYQYGAY-UHFFFAOYSA-N 305.265 1.916 50 40 DDGB N#CC1=C(N)N(/N=C\c2ccco2)[C@@H](c2ccco2)C1(C#N)C#N 5822521 MCFGKNDMYIOZSR-PEULLPALSA-N 318.296 1.991 50 40 DDGB O=C(COC(=O)c1cccs1)NNC(=O)c1ccccc1 7533248 OZMBGTUEUOQJAY-UHFFFAOYSA-N 304.327 1.366 50 40 DDGB Cc1occc1C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 101518704 ZSHCLNMZGHDSTQ-UKJIMTQDSA-N 318.329 1.262 50 40 DDGB COC(=O)[C@]12CC[C@@](CBr)(C(=O)C1=O)C2(C)C 103708069 AWYFTQRIIJHQHR-NEPJUHHUSA-N 303.152 1.499 50 40 DDGB C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 59502737 OSVNWESTSJTQHM-XNTDXEJSSA-N 307.306 1.588 50 40 DDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(O)c1 13724829 AQKAAYMTFSSNFY-CYBMUJFWSA-N 312.281 1.056 50 40 DDGB Cn1ccc(C(=O)N/N=C/c2cccc(Br)c2)n1 31033 AQKNKHUEFXVZJD-RIYZIHGNSA-N 307.151 1.947 50 40 DDGB O=C(COC(=O)/C=C/c1ccco1)NNC(=O)c1ccccc1 3387961 CYTVTPDQVRASCY-CMDGGOBGSA-N 314.297 1.297 50 40 DDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1 5675904 XBLQRWBEEHDBMG-UHFFFAOYSA-N 306.343 1.319 50 40 DDGB CC(=O)O[C@H]1CN[P@@](=O)(N(CCCl)CCCl)OC1 1566971 RSGNOCXDOXSDGD-YYSFKGJASA-N 319.125 1.426 50 40 DDGB COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cccnc1 6857776 PVBKOZNHFUGOHL-LLVKDONJSA-N 305.721 1.555 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccc(O)cc2O)cc1 260830 MFQJPAFBZUDAGL-UHFFFAOYSA-N 302.286 1.181 50 40 DDGB CCC[C@@H](CCC(=O)NNC(=O)c1ccc(O)cc1)C(=O)O 2377330 GDQHLJDOGQUMIR-NSHDSACASA-N 308.334 1.434 50 40 DDGB CSc1nc(N2CCCC2)c2cc(C(=O)NN)sc2n1 137109030 XYEWQEVOGSGABB-UHFFFAOYSA-N 309.420 1.617 50 40 DDGB O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(C(=O)O)cc1 573812 HUEYVXNWVACQPM-DJKKODMXSA-N 322.324 1.885 50 40 DDGB C[C@@H](Br)[C@@H](Br)C(=O)N1CCOCC1 1690351 ARPDEGNOVJFRQA-RNFRBKRXSA-N 315.005 1.392 50 40 DDGB Cc1cccc(OCC(=O)NNC(=O)Cn2nc(C)cc2C)c1 6427604 XJINDJNXQXAWPK-UHFFFAOYSA-N 316.361 1.035 50 40 DDGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1cccnc1 10040680 HNCCGXQXXYKNQT-XDHOZWIPSA-N 309.325 1.866 50 40 DDGB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Cl)cc2)C1=O 11847777 YUORLASEFYFAEB-UHFFFAOYSA-N 301.751 1.768 50 40 DDGB CC(C)CC(=O)NNS(=O)(=O)c1cccc2nsnc12 19079174 ZNJLEAWPXMTWLX-UHFFFAOYSA-N 314.392 1.047 50 40 DDGB COC(=O)COc1c(/C=C(\C#N)C(N)=S)cccc1OC 408543343 OEMXSEALTACRFT-UXBLZVDNSA-N 306.343 1.440 50 40 DDGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)CN1CCOCC1 408600545 CVZRYUSVMNNRJI-QCUKBLKESA-N 319.405 1.646 50 40 DDGB O=C(O)C(I)I 72399713 BQAMFNQVNXPFFH-UHFFFAOYSA-N 311.844 1.267 50 40 DDGB in-vitro CCCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 5904502 JIEWXIVYWJFYBQ-CYVLTUHYSA-N 308.341 1.972 50 40 DDGB Cn1ncc2c(NNC(=O)C(Cl)=C(Cl)Cl)ncnc21 2388146 OBUILXKGSKSHQX-UHFFFAOYSA-N 321.555 1.692 50 40 DDGB O=S(=O)(O)SCNCNCCSCc1ccccc1 19319600 XVLOHAIKZWQHCT-UHFFFAOYSA-N 322.477 1.550 50 40 DDGB O=C(NN[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 31260 OXCWAOIUBWRKIS-CQSZACIVSA-N 313.269 1.698 50 40 DDGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)c1 107786733 OBUGPOHPKGHMHQ-GIJQJNRQSA-N 314.345 1.883 50 40 DDGB COCCNC(=O)/C(C#N)=C1\C(=O)N(C(C)C)c2ccccc21 61717457 NIPLLIROCAXMDJ-SQFISAMPSA-N 313.357 1.481 50 40 DDGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccn2)cc1 59516112 KXRMHNJYCVGPQQ-WOJGMQOQSA-N 312.329 1.569 50 40 DDGB O=S1(=O)C=C[C@H](NC(=S)OC[C@@H](Cl)CCl)C1 59568583 PWIXRSZNYLLIAG-BQBZGAKWSA-N 304.220 1.034 50 40 DDGB NC(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408961064 QPIIEGIBSWYGCX-GIJQJNRQSA-N 313.313 1.966 50 40 DDGB O=C(CCn1nnc2ccccc21)N/N=C/c1ccccc1O 181606 DHFIKZBCTZXBFF-GZTJUZNOSA-N 309.329 1.677 50 40 DDGB CCCC(=O)N([C@H]1C[C@@H](C)C(C#N)(C#N)C1(C#N)C#N)N(C)C 500608 QCESUACIVCNKOD-OLZOCXBDSA-N 312.377 1.567 50 40 DDGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccccc1OC(F)F 4938731 BTDNVBZJANPBFV-CSKARUKUSA-N 310.256 1.770 50 40 DDGB C/C(=N\NC(=O)COc1ccccc1)c1c(O)cc(C)oc1=O 6796425 NUNNWFUEGIPYIN-GZTJUZNOSA-N 316.313 1.573 50 40 DDGB Cc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)o1 409078656 IWMPYYLCOMBPEW-REZTVBANSA-N 301.302 1.879 50 40 DDGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1ccc(F)cc1 20120529 INZVGIFKFVOHQG-VGOFMYFVSA-N 312.278 1.429 50 40 DDGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(N)=O)c1C 6545801 DNKAIQIFLRRBAO-GIJQJNRQSA-N 314.345 1.883 50 40 DDGB O=C(COCc1ccccc1Cl)NNC(=O)[C@@H]1CCCO1 58248650 DEXHXCZKCWEQMB-LBPRGKRZSA-N 312.753 1.183 50 40 DDGB CC(=O)Nc1cccc(-n2nnnc2SC/C=C/C#N)c1 83815567 CXHZAZTUVMOWCY-NSCUHMNNSA-N 300.347 1.793 50 40 DDGB COc1ccccc1/C=C/C(=O)NNC(=O)c1cc(C)n[nH]1 5818207 ZIKYEMGGUAYHKY-BQYQJAHWSA-N 300.318 1.201 50 40 DDGB C=CCNC(=S)NNC(=O)c1ccc(N(CC)CC)cc1 5947296 GGJRVAVMIXFHRS-UHFFFAOYSA-N 306.435 1.828 50 40 DDGB O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc2c(c1)CCC2 84581736 JVBFTYQTHIJZRU-KRWDZBQOSA-N 322.364 1.940 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1 408725839 LBJLDAVJIYERGL-MHWRWJLKSA-N 316.317 1.947 50 40 DDGB C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)CBr 72207495 DXYQKQUIFUHBDI-QWRGUYRKSA-N 317.227 1.773 50 40 DDGB Cc1cc(C)nc(NNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)n1 22236132 BNMDLXSOKAAFJR-SMDDNHRTSA-N 314.345 1.765 50 40 DDGB O=S1(=O)CC=C(NC(=S)OC[C@@H](Cl)CCl)C1 100850727 HQHHNFDEKJBRNX-LURJTMIESA-N 304.220 1.036 50 40 DDGB O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccccc1 408722183 QUHUFKKIKAVKOK-UHFFFAOYSA-N 317.324 1.209 50 40 DDGB O=C(O)c1ccc2c(c1)-c1cc(C(=O)O)ccc1P2(=O)O 1870319 BPEUBOFCLRSFQV-UHFFFAOYSA-N 304.194 1.285 50 40 DDGB CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)N(C)C 59334930 KHHOHOJVLPSTJF-LCYFTJDESA-N 302.330 1.624 50 40 DDGB COCCNC(=O)c1ccc(NC(=O)CBr)cc1 35605299 AKLVWHHLJIPMTD-UHFFFAOYSA-N 315.167 1.396 50 40 DDGB CCCCC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 13008250 RROXKTMLVJFEQS-UHFFFAOYSA-N 316.361 1.368 50 40 DDGB O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccccc1F 13250915 FENLWTQWGHCWEK-UWVGGRQHSA-N 306.293 1.254 50 40 DDGB COCc1[nH]nc2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 5044922 PRHUPQFGFQHUJY-CYBMUJFWSA-N 312.329 1.783 50 40 DDGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1c(F)cccc1Cl 72408141 HCQZDUBMRPEHBC-VIFPVBQESA-N 318.695 1.781 50 40 DDGB CS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519007 ZZEHSEYWPUUZSI-DTWKUNHWSA-N 324.152 1.394 50 40 DDGB CNC(=O)/C(C#N)=C1/NC(=O)[C@@H](Cc2ccc(F)cc2)S1 4539961 KNZXEMZMLSWMHY-UXEDPAHQSA-N 305.334 1.081 50 40 DDGB Cc1occc1C(=O)NNC(=O)CNC(=O)Nc1ccccc1 26743314 UBQHXSPNMYIIDL-UHFFFAOYSA-N 316.317 1.171 50 40 DDGB O=C(Nc1ccc(Cl)cc1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2260533 LQWIYCFLTIBLQT-UWVGGRQHSA-N 323.201 1.866 50 40 DDGB Cc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 2224176 FFYJJEUCXAHWJU-QWRGUYRKSA-N 302.783 1.521 50 40 DDGB CCCc1[nH]nc2c1[C@@]1(CC[C@@H]3CO[C@@H]1O3)C(C#N)=C(N)O2 100236836 OFMOODVUJLVUEI-KBOAJJQZSA-N 302.334 1.222 50 40 DDGB COCCN1C(N)=C(C#N)C=C2CCCC(N=C(C#N)C#N)=C21 1612669 FMTSHHXBQDGXFB-UHFFFAOYSA-N 308.345 1.452 50 40 DDGB COC(=O)c1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1 8733207 ZXOSQYDCDFCUSO-VIFPVBQESA-N 312.753 1.545 50 40 DDGB CCc1nnsc1C(=O)NNC(=O)c1ccc(C#N)cc1 61465359 FQJQFVFEWHRELV-UHFFFAOYSA-N 301.331 1.047 50 40 DDGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 3062130 MSJWNKUNCNRNNB-UDWIEESQSA-N 313.332 1.635 50 40 DDGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)N1CCCCCC1 59444348 CVQBENZYLWMHQR-GZTJUZNOSA-N 317.345 1.238 50 40 DDGB Cc1ccc(S(=O)(=O)NCCCNC(=O)CCl)cc1 6480047 YDFJNCYPYSHDJJ-UHFFFAOYSA-N 304.799 1.018 50 40 DDGB COCCNC(=O)Cn1cc(C=C(C#N)C#N)c2ccccc21 5014749 GXZVEXANVVGVRZ-UHFFFAOYSA-N 308.341 1.834 50 40 DDGB Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCOCC2)cc1 17921145 ZWZJEKSNWPTMGB-FYWRMAATSA-N 316.810 1.653 50 40 DDGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)cc1 5512879 DYOLSWSPQWCTQP-UHFFFAOYSA-N 309.325 1.707 50 40 DDGB COC(=O)COc1c(Cl)cc(/C=N/NC(C)=O)cc1OC 409011859 ONWXBJCQXPDGCB-GIDUJCDVSA-N 314.725 1.370 50 40 DDGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1 45954043 JVWBDGOUHXSHOA-NSHDSACASA-N 308.765 1.642 50 40 DDGB COc1ccc(/C=N\NC(=O)c2sc(N)nc2C)cc1OC 31854404 RJMDFNRIJLNRDQ-APSNUPSMSA-N 320.374 1.815 50 40 DDGB O=C(NNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 361535 NCFHNZRZUXCQCE-UHFFFAOYSA-N 321.314 1.218 50 40 DDGB CCN(CC)C(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 3058076 MDOXBOTXMXRDET-MHWRWJLKSA-N 307.350 1.022 50 40 DDGB O=C(NCCc1cccnc1)NNC(=O)c1ccc(F)cc1 12545918 NSAJVDAZDZBLOW-UHFFFAOYSA-N 302.309 1.407 50 40 DDGB CCc1n[nH]c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 4453402 GCFBQCLCBDJAGR-ZDUSSCGKSA-N 312.329 1.904 50 40 DDGB biogenic,in-vitro Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)[nH]n1 5818186 IBVOOUAASYNKLX-UHFFFAOYSA-N 322.752 1.520 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCCN1Cc1ccccc1)C1CC1 89834944 AXMMEVGTUGAOOR-HNNXBMFYSA-N 301.390 1.599 50 40 DDGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 582049 JRTKEWRNBJKHPV-OVCLIPMQSA-N 319.273 1.969 50 40 DDGB CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(OC)c1 8227449 CNAXETAWUIWGKP-IZZDOVSWSA-N 305.286 1.629 50 40 DDGB CCn1cc(C(=O)N/N=C/C(Cl)=C(\Cl)C(=O)O)cn1 2781591 QVJCQDLFADHWNP-HRRRRBOVSA-N 305.121 1.392 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccc(O)cc2)cc1OC 325215 ATBSIYUTEIWKAP-UHFFFAOYSA-N 316.313 1.484 50 40 DDGB O=C(N/N=C1\C[C@H]2CC[C@H]1C2)C(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2 107907130 OQLAOXNDCYBUFL-AABDHAHXSA-N 302.378 1.571 50 40 DDGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccccc1Cl 96927652 SRARKPHXUNCKQJ-OMCISZLKSA-N 321.724 1.903 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)n1cc(Cl)cn1 252494118 NLNKKLOBFXBCCG-PDMWYYABSA-N 312.736 1.429 50 40 DDGB O=C(CCCl)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 19851416 RPUDKLHZAPTPFI-UHFFFAOYSA-N 312.757 1.657 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1OC 281964 SRCOZNCBMPXSCD-UHFFFAOYSA-N 318.304 1.918 50 40 DDGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccn1 59516096 CGARUURARSKMFY-VXLYETTFSA-N 316.748 1.502 50 40 DDGB CCOc1ccccc1NC(=O)C(=O)NN=C1CCN(C)CC1 58176936 RJBFAGJRYWFACF-UHFFFAOYSA-N 318.377 1.222 50 40 DDGB NC(=O)N/N=C1/CC[C@H](OCc2ccccc2)C[C@H]1CC(=O)O 104226200 FXTAMIBWOKATPF-VJXYMYKGSA-N 319.361 1.871 50 40 DDGB CCOc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 5653858 PJNWBKHQEJLJHM-GXDHUFHOSA-N 316.357 1.860 50 40 DDGB C[C@H](Cl)CN(C[C@H](C)Cl)C(=O)OC[C@H](N)C(=O)O 4783146 XRXTWSABNBANQL-FXQIFTODSA-N 301.170 1.092 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 6543552 QUBRRXPTSYAEFU-LBPRGKRZSA-N 318.354 1.658 50 40 DDGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccs2)c1C 9114072 MDUZITQNJYPMCW-UHFFFAOYSA-N 321.358 1.554 50 40 DDGB COc1cc(NC(=O)NNC(=O)C2CC2)cc(OC)c1OC 96013169 QMLPYGSQCNDZOF-UHFFFAOYSA-N 309.322 1.275 50 40 DDGB Cc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 40177550 CISGZGCZRYDNGT-GFCCVEGCSA-N 301.795 1.754 50 40 DDGB CCO[Si](CCCNC(=O)/C=C\C(=O)O)(OCC)OCC 195751566 YSIBYEBNVMDAPN-HJWRWDBZSA-N 319.430 1.182 50 40 DDGB COC(=O)[C@@]12CC[C@@](CBr)(C(=O)C1=O)C2(C)C 85398737 AWYFTQRIIJHQHR-VXGBXAGGSA-N 303.152 1.499 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(-c2ccco2)on1 252500882 TXQXMDSCQBCATI-FRKPEAEDSA-N 317.280 1.880 50 40 DDGB O=C(O)CCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 2131804 KCZUNCVPWCFNQF-UHFFFAOYSA-N 312.325 1.979 50 40 DDGB COc1ccccc1NCC(=O)N/N=C1\C(=O)Nc2ccccc21 5687674 HBRBEGXRCHCNQR-UHFFFAOYSA-N 324.340 1.580 50 40 DDGB CC1(C)[C@]2(C(=O)O)CCC(=O)[C@]1(CBr)OC2=O 217628316 WBPZYZHOYHZSOH-QWRGUYRKSA-N 305.124 1.137 50 40 DDGB C[N+]1(C)C[C@@]2([N+](=O)[O-])CC=C(OCCCl)[C@@]([N+](=O)[O-])(C2)C1 100128803 JUKZVCDEHMYQLF-VXGBXAGGSA-N 320.753 1.041 50 40 DDGB O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1cc2c(s1)CCCCC2 40144719 CQBVTGIEAIEOBS-ZJUUUORDSA-N 323.374 1.443 50 40 DDGB COc1ccc(C(=O)NNC(=O)Cc2ccccc2OC)cc1 290049 HDPIZTPXPNKWPR-UHFFFAOYSA-N 314.341 1.708 50 40 DDGB COC(=O)c1n[nH]c2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 548286 VLCBNPUYYDZJDY-WCBMZHEXSA-N 300.318 1.722 50 40 DDGB COc1ccc2oc(C)c(C(=O)NNC(=O)[C@@H]3CCCO3)c2c1 58248646 OCOLGOZEFVSAJE-ZDUSSCGKSA-N 318.329 1.690 50 40 DDGB C/C(=N/NC(=O)[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])o1 326185 YQIPDRCLYAWJQW-HEUOVEHFSA-N 317.301 1.936 50 40 DDGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccccc1O 13549983 VMUNVBPSJRKYOC-WOJGMQOQSA-N 315.329 1.797 50 40 DDGB COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1ccco1 7778367 KCHAFTXJIICQBD-CXUHLZMHSA-N 302.286 1.977 50 40 DDGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1 7813000 XIFVJQJCMJJJRA-HWQJWEFDSA-N 311.341 1.720 50 40 DDGB Cc1cnc2c(S(=O)(=O)NNC(=O)C(C)C)cccc2c1 23371658 KLPOVDNBYVKDTC-UHFFFAOYSA-N 307.375 1.509 50 40 DDGB Cc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 3384553 XYBGJOIKFWLYHV-UHFFFAOYSA-N 322.324 1.306 50 40 DDGB COc1cccc(/C=C(\C#N)C(=O)N2CCC[C@H](C(N)=O)C2)c1 96294967 KJLUMMMVICQYCQ-JGWKKKPCSA-N 313.357 1.326 50 40 DDGB Cc1cccc(C(=O)N/N=C\c2ccc3c(c2)n(C)c(=O)n3C)c1 32116847 DKMFBJUHEGSTHV-ODLFYWEKSA-N 322.368 1.949 50 40 DDGB O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)C(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2 226365508 OQLAOXNDCYBUFL-JWCMJOCNSA-N 302.378 1.571 50 40 DDGB Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccs2)cc1 4086447 HMIVPNWIKIJIDS-RQZCQDPDSA-N 301.371 1.937 50 40 DDGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(C)CC2)cc1C 20403649 HPNNCKNBOUXIEL-FOWTUZBSSA-N 319.430 1.690 50 40 DDGB CCCc1nc2c(o1)NC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 8783371 JBGPXSRAUNJFSY-QGZVFWFLSA-N 321.340 1.985 50 40 DDGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CC2(C)OCCO2)cc1 408837471 GHBPDXHTWKQLJS-WOJGMQOQSA-N 319.361 1.638 50 40 DDGB CCS(=O)(=O)[C@@H](I)C(=O)C1CC1 96517980 XJAGJAFLNLQNIQ-SSDOTTSWSA-N 302.133 1.161 50 40 DDGB Cc1occc1C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102195553 ZPRHAYJUTINVRW-XPXLGCRWSA-N 306.318 1.096 50 40 DDGB O=C(O)c1ccccc1C(=O)NNC(=O)C1[C@H]2CCCC[C@H]12 3141752 MFONRUQNRLFHMK-UWVGGRQHSA-N 302.330 1.582 50 40 DDGB CCOc1ccc(C(=O)NNC(=O)c2ccc(O)nc2)cc1 12978867 VZQUZPCNXLPISQ-UHFFFAOYSA-N 301.302 1.261 50 40 DDGB COc1ccc(/C=N/NC(=O)c2ccccn2)c(OC)c1OC 381437 OMPKOQYOYYJVIO-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB CN1C(=O)/C(=N\NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 100507778 VIHLIIVLEXLMPL-SDXDJHTJSA-N 323.308 1.526 50 40 DDGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 28616285 ZLEXMGDSSQQDGN-IDUWFGFVSA-N 312.281 1.908 50 40 DDGB C[C@H]1C[C@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1 70038398 KMFDUZJDEXAKLV-SMDDNHRTSA-N 320.364 1.677 50 40 DDGB C[C@@H](CCl)O[P@]1(=O)C[C@@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C1 254617063 GWVWTNYIUVYKNF-WCTJXHSPSA-N 314.662 1.993 50 40 DDGB O=C(N/N=C/c1ccccn1)C(=O)Nc1ccc(Cl)cc1 59516105 DYAHWBLNBSZDBD-RQZCQDPDSA-N 302.721 1.824 50 40 DDGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1cccs1 58084737 BDVHRBNNWHPGPG-AWNIVKPZSA-N 307.287 1.831 50 40 DDGB COc1cccc(OC)c1C(=O)OCC(=O)/C(C#N)=C(/C)N 96456562 BSNQVEGRCHSDHV-KTKRTIGZSA-N 304.302 1.186 50 40 DDGB Cc1nc(-c2cccc(NC(=O)NNC(=O)C3CC3)c2)no1 96013196 ZVZNHAWVSXZUFM-UHFFFAOYSA-N 301.306 1.608 50 40 DDGB COCc1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 9952948 YWGRSOSEBHUICI-UHFFFAOYSA-N 318.289 1.144 50 40 DDGB Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1CC[C@@H]1CC=CCC1 72415070 QARCBDWQJPNUOC-SECBINFHSA-N 311.769 1.287 50 40 DDGB CCOC(=O)c1ccc(NS(=O)(=O)CCCCl)c(O)c1 585141542 WVRRUYFWDIYPHG-UHFFFAOYSA-N 321.782 1.940 50 40 DDGB COCc1[nH]nc2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 4473449 NSVUTDRGIZQVRW-CYBMUJFWSA-N 312.329 1.783 50 40 DDGB COC(=O)[C@@H]1C[C@@H](Br)CN1C(=O)OC(C)(C)C 59903671 TXQUSDPQTQXELO-SFYZADRCSA-N 308.172 1.932 50 40 DDGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(N)=O 408820813 ZAUJIXLHGCFTRA-UXBLZVDNSA-N 305.131 1.853 50 40 DDGB COc1cc(/C=N/NC(=O)CC#N)c(Br)cc1O 4739228 XDKJHWULADLLOR-MKMNVTDBSA-N 312.123 1.527 50 40 DDGB COC(=O)NNC(=O)COc1ccc(C)cc1Br 5681426 GTUUOECMABWXEH-UHFFFAOYSA-N 317.139 1.524 50 40 DDGB NNC(=O)c1cc(Br)cc(Br)c1O 162518 OYKIUUFGGBFAKC-UHFFFAOYSA-N 309.945 1.521 50 40 DDGB COc1ccccc1/C=N/NC(=O)c1[nH]ncc1Br 256105 HXJICRVNRNWWLG-MKMNVTDBSA-N 323.150 1.945 50 40 DDGB Cc1ccsc1/C=C(\C#N)C(=O)NCCCN1CCOCC1 21548980 LTGXNARYWUHEEE-SDNWHVSQSA-N 319.430 1.802 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccc(/C=N/O)nc2)ccc1O 527071 FQQHZMDNPOAQEQ-QIDACIQLSA-N 314.301 1.368 50 40 DDGB CC1=C(C#N)[C@@](NC(=O)c2cccs2)(C(F)(F)F)C(=O)N1 4127128 BGOWYMDCARNGRM-NSHDSACASA-N 315.276 1.706 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNc1ccc(C)cc1C 4719278 RHTILCUEIDYFHE-ZROIWOOFSA-N 310.357 1.943 50 40 DDGB O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1 3008732 LKPHWKXHZKXHDT-RQZCQDPDSA-N 311.297 1.504 50 40 DDGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)/C(=N\NC(=O)c1ccco1)C2=O 5269369 RXGOJSWRTDCFNS-RMIRYMDZSA-N 318.329 1.845 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-] 4672843 GBOWLFZLVSRJSV-UHFFFAOYSA-N 305.246 1.271 50 40 DDGB O=C(N/N=C/c1ccccc1O)[C@@H]1CC(=O)N(c2ccccc2)C1 409165083 SDQRMLJFANUDID-HIPSJFSSSA-N 323.352 1.895 50 40 DDGB CC(=O)NN/C=C1\SC(=S)N(CCc2ccccc2)C1=O 36617179 FNXLNDNSLULZDG-XFXZXTDPSA-N 321.427 1.572 50 40 DDGB NNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 225330006 XRYYAQFHTRJYQA-CQSZACIVSA-N 315.304 1.223 50 40 DDGB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N/N=C2/CCCN2)C1 98211210 VEEAULPIUSWARC-LLVKDONJSA-N 310.398 1.447 50 40 DDGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1O 96875533 ZTWLXTGAWXZVTR-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1O 274428 XABXUHMBGWEBBQ-MKMNVTDBSA-N 312.123 1.527 50 40 DDGB Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)[C@H]1CCCO1 32261070 GLQONRAYHZLLJD-SECBINFHSA-N 321.358 1.652 50 40 DDGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C)[C@H]2C1 4452976 MWXSBHNYIZBYRJ-ZWNOBZJWSA-N 311.345 1.421 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccco2)cc([N+](=O)[O-])c1O 59434700 WIUVOUCNDXQJPS-VGOFMYFVSA-N 305.246 1.666 50 40 DDGB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NNC(=O)c2cnccn2)o1 27132184 GSMACZHTGCQLSD-ZIAVJRNFSA-N 312.329 1.667 50 40 DDGB C#CCN1C(=O)/C(=N\NC(=O)c2ccccc2F)c2ccccc21 5638348 RCVRVVAKSXCCQA-SILNSSARSA-N 321.311 1.940 50 40 DDGB CC(C)(C)OC(=O)NCC(=O)NNc1ncnc2ccccc12 521398809 DLZSXUFBETUDCZ-UHFFFAOYSA-N 317.349 1.598 50 40 DDGB Cn1ncc(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253403781 QKPZIWDSLWGBPM-NSHDSACASA-N 304.737 1.888 50 40 DDGB O=C(CC(=O)N/N=C/c1cccnc1)NCCc1ccccc1 59516144 HKSIIUYEAORMGE-DEDYPNTBSA-N 310.357 1.281 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CN2CCCc3ccccc32)cn1 22415199 BMEDCAKSMVLJBL-UHFFFAOYSA-N 324.384 1.604 50 40 DDGB CCN(CC)c1ccc(C(=O)NNC(=O)C2=COCCO2)cc1 12543367 FZZMBTSTUXDZMT-UHFFFAOYSA-N 319.361 1.182 50 40 DDGB CCOC(=O)C(N/C=C(\C#N)c1cccc(F)c1)C(=O)OCC 57519774 HPOVCHZGKSQXAS-ZRDIBKRKSA-N 320.320 1.775 50 40 DDGB CCOC(=O)NNC(=O)COc1ccc(Br)cc1 12853018 PKWYMTGFTQGLHN-UHFFFAOYSA-N 317.139 1.605 50 40 DDGB NNC(=O)c1cn(C(=O)COc2ccccc2)c2ccccc12 216723412 XOBTZBWXSMIZLT-UHFFFAOYSA-N 309.325 1.964 50 40 DDGB Cc1ccccc1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 40177619 HVISZIUOENELDX-NSHDSACASA-N 301.795 1.754 50 40 DDGB COc1cc(/C=N/NC(C)=O)cc(Br)c1OC 6304718 QYQYXTLRQXEAJA-AWNIVKPZSA-N 301.140 1.936 50 40 DDGB O=C(CCN1CCCCC1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 3196616 JDSCADCMEPQNQU-LFIBNONCSA-N 320.349 1.627 50 40 DDGB O=C(Cc1ccccc1)NNC(=O)c1cc2ccccc2oc1=O 268038 FMRDOUWSWQNNTD-UHFFFAOYSA-N 322.320 1.797 50 40 DDGB CCCCc1[nH]nc2c1[C@]1(CC[C@H]3CO[C@@H]1O3)C(C#N)=C(N)O2 8783484 ZIIRVNKLEOBBRV-OBPXBXINSA-N 316.361 1.612 50 40 DDGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc(Cl)cc1 59459492 HUMMNKLRGPCSBW-VXLYETTFSA-N 316.748 1.502 50 40 DDGB N#Cc1ccc(/C=N/NC(=O)Cc2cn3ccsc3n2)cc1 12564614 WAOGMUUJIPGPRR-RQZCQDPDSA-N 309.354 1.960 50 40 DDGB C#CCOc1ccccc1/C=N/NC(=O)[C@H](O)c1ccccc1 2080918 BGPREMXTOWECQJ-HNMKQIAWSA-N 308.337 1.882 50 40 DDGB O=C(NNC(=O)c1cccnc1N1CCCCC1)c1ccco1 44905393 CTMVJIUZKBRFNW-UHFFFAOYSA-N 314.345 1.740 50 40 DDGB O=C(CCC1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1 6508037 DDRASJKHSQNLHY-OAHLLOKOSA-N 318.373 1.944 50 40 DDGB C=C(C)CNC(=S)NNC(=O)Cn1cnc2ccccc21 7560531 XUFUUQXRDMQXRR-UHFFFAOYSA-N 303.391 1.108 50 40 DDGB COc1cccc(/C=N/NC(=O)CC(=O)NCC(C)C)c1OC 3057762 HBQLHZVDTLZZKE-VCHYOVAHSA-N 321.377 1.316 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccn1 3058000 JTLMAQHOGVPCJT-CXUHLZMHSA-N 313.273 1.079 50 40 DDGB CC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 59426206 JVWAOCLDZPJRFT-NYYWCZLTSA-N 302.084 1.533 50 40 DDGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)cc1O 408729412 ZNLRJKWBSNIHTA-CAOOACKPSA-N 314.297 1.519 50 40 DDGB CS(=O)(=O)[C@H](I)C(=O)c1ccccc1 34658486 DHRFCHMJJQVQEH-VIFPVBQESA-N 324.139 1.675 50 40 DDGB COc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1 335749 LKXDNUACIGTTQH-LDADJPATSA-N 317.389 1.984 50 40 DDGB CC1(C)[C@@]2(C(=O)O)CC[C@]1(C)/C(=N/NC(=O)c1ccco1)C2=O 16739517 UAWRAYLZHPCOCO-JWYZISKASA-N 318.329 1.845 50 40 DDGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccco1 3187652 OPIVXDSTJYLMSG-UBKPWBPPSA-N 313.235 1.610 50 40 DDGB CCC(=O)NNC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 4278793 OVXJWRNRGQYYHN-DKHPWKACSA-N 321.421 1.265 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1OC 325156 ZPKWVXYTAXVVBB-UHFFFAOYSA-N 300.314 1.779 50 40 DDGB Cc1cccc(C(=O)NNC(=O)[C@H](C)N(C)Cc2ccco2)c1 12784041 FXPGGJXAYAKIMM-ZDUSSCGKSA-N 315.373 1.870 50 40 DDGB O=C(CNC(=O)c1ccccc1F)N/N=C/c1cccnc1 4828630 FDMMKVGDWRMNFX-DJKKODMXSA-N 300.293 1.101 50 40 DDGB CCOc1cccc(/C=C(/C#N)C(N)=S)c1OCC(=O)O 408543042 NDDIWQMBEMACRN-POHAHGRESA-N 306.343 1.742 50 40 DDGB CCOC(=O)/C(C#N)=C1\c2ccccc2C(=O)[C@@]1(Cl)C(N)=O 17107029 IGUXUWANHXBVPW-AUECHBEKSA-N 318.716 1.186 50 40 DDGB Cc1ccccc1N/C(C(=O)O)=C(Cl)\C=C(/C#N)C(N)=O 5588505 FXOWYUOGDKPMHS-LWGDNYCUSA-N 305.721 1.877 50 40 DDGB C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccnc1 577866 HNVFBQJZTGSHOM-SNVBAGLBSA-N 319.748 1.964 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc1 18708764 VUXQGOADQYJPHK-ZIAGYGMSSA-N 303.406 1.734 50 40 DDGB CCOC(=O)NNC(=O)Cc1csc(-n2c(C)ccc2C)n1 44980708 KFJPBNSIGDIDHR-UHFFFAOYSA-N 322.390 1.870 50 40 DDGB CCc1nnsc1C(=O)NNC(=O)c1cc2c(s1)CCC2 28665024 BWVRLEMWLIDHTN-UHFFFAOYSA-N 322.415 1.726 50 40 DDGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1 6489192 UTOYZIRSUYOGNA-LCYFTJDESA-N 304.346 1.851 50 40 DDGB C#CCN1C(=O)/C(=N/NC(=O)Cc2cccs2)c2ccccc21 17948959 ISQUVWASBJCHKU-KNTRCKAVSA-N 323.377 1.791 50 40 DDGB CCN(NC(=O)CNC(=O)c1ccco1)c1ccc(C)cc1 9690247 MUSSAIASURYLRE-UHFFFAOYSA-N 301.346 1.876 50 40 DDGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)CC#N 100922318 PBOWDTGTIHJKQS-VXLYETTFSA-N 315.333 1.379 50 40 DDGB CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1 4713802 AJEFCDUSMUPVPR-UHFFFAOYSA-N 317.370 1.710 50 40 DDGB O=C(NNC(=O)c1ccccc1F)c1csc([N+](=O)[O-])c1 42567981 QVSZWXLGFZWCRJ-UHFFFAOYSA-N 309.278 1.870 50 40 DDGB O=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)OCO2 5171966 HBQWVQQCVHWOQS-UHFFFAOYSA-N 300.270 1.196 50 40 DDGB C=CCN1C(=O)/C(=N/NC(=O)c2cnccn2)c2ccccc21 5631226 ZSZLEMAENGDIGA-XMHGGMMESA-N 307.313 1.143 50 40 DDGB CCNC(=S)NNC(=O)/C=C/c1nc2ccccc2s1 7785481 GRHXRWXWFROZBW-BQYQJAHWSA-N 306.416 1.825 50 40 DDGB C#CCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 18173289 PHLQCRFSVRDBEZ-MNDPQUGUSA-N 319.320 1.506 50 40 DDGB N#CC(C#N)=CNC[C@@H](c1ccc(F)cc1)N1CCOCC1 22782278 VGDDEVDYUFKTMQ-INIZCTEOSA-N 300.337 1.720 50 40 DDGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccco2)cc1)C(=O)O 12364080 AWUUYJVFFANXLJ-VCBXAZPMSA-N 302.286 1.895 50 40 DDGB COC(=O)c1cccc(C(=O)NNC(=O)c2cccs2)c1 10292551 FFOOJOKAEJHTPD-UHFFFAOYSA-N 304.327 1.610 50 40 DDGB O=C(NNC(=O)c1cncc(Br)c1)c1cccnc1 2171381 QCYVFPRHRBLQSJ-UHFFFAOYSA-N 321.134 1.314 50 40 DDGB C[C@@H](Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 8183824 CZTNZRZGTNFDCB-LLVKDONJSA-N 316.810 1.147 50 40 DDGB O=C(CN1CCN(Cc2ccccc2)CC1)NCCCCl 575423907 SLMIMEIPHBSRJG-UHFFFAOYSA-N 309.841 1.549 50 40 DDGB O=C(OCCCl)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)OCCCl 5328601 LBVBNTTWZJWVLB-YNFQOJQRSA-N 311.161 1.344 50 40 DDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)c(OC)c1 5687101 IEILEVXUOJJZJM-ZDUSSCGKSA-N 312.329 1.954 50 40 DDGB Cc1n(C[C@H](O)CCl)c2ccccc2[n+]1C[C@H](O)CCl 500461 OFWSHZQCHDOJCQ-VXGBXAGGSA-N 318.224 1.437 50 40 DDGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1O)C(=O)NC[C@H]1CCCO1 66341522 AELPLYAOUAHIGJ-TUOYRWMMSA-N 317.301 1.503 50 40 DDGB COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)C1CC1 4731381 KCFVQWZRSXCIKX-CMDGGOBGSA-N 319.386 1.140 50 40 DDGB O=C(CNC(=O)c1cccs1)NNC(=O)c1ccccc1F 8187726 SUDQNQWRAUKHLM-UHFFFAOYSA-N 321.333 1.078 50 40 DDGB CCOc1ccc(/C=N\NC(=O)c2cnccn2)cc1OC 100225058 NAERVOQFDCWLNM-NVMNQCDNSA-N 300.318 1.648 50 40 DDGB Cc1nnc(NNC(=O)c2cccc(C(F)(F)F)c2)[nH]c1=O 22239383 OZPKCRMCZQWICQ-UHFFFAOYSA-N 313.239 1.249 50 40 DDGB C/C(=N\NC(=O)Cc1cc(O)n[nH]1)c1cccc([N+](=O)[O-])c1 13109032 NWRWPJMHVWGLME-RIYZIHGNSA-N 303.278 1.106 50 40 DDGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 21670138 HFDRXHYBPKBCMY-PKNBQFBNSA-N 303.274 1.385 50 40 DDGB Cn1nc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)c2ccccc2c1=O 38720330 PSULSGMMPCSRPL-FMVACOBOSA-N 308.341 1.615 50 40 DDGB COCCOC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1 57395552 CQEFKGHBQNSURX-QINSGFPZSA-N 316.357 1.620 50 40 DDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)[C@H](O)c1ccccc1 34046 IRMGULSXDMBLLW-BRYYZUPOSA-N 315.285 1.484 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@H]2CNCC=C12 226534 OQFZNBNDGIPUEI-HOCLYGCPSA-N 319.343 1.839 50 40 DDGB CNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2Br 6202588 GRBFFHTYMNSFCY-OINDSLJFSA-N 324.240 1.304 50 40 DDGB CNS(=O)(=O)C[C@]1(C)[C@@H]2CC[C@]1(C)C(=O)[C@H]2Br 100983494 GRBFFHTYMNSFCY-JZSSXWJLSA-N 324.240 1.304 50 40 DDGB NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccccc1 13113830 ZHGRZOWQGUSCBU-JZJYNLBNSA-N 307.309 1.777 50 40 DDGB Cc1ccc(NCC(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 50342 AYOFGTAHRUWPIS-UHFFFAOYSA-N 308.341 1.880 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC#N 2950256 IZISYDXMSFCUFR-YBFXNURJSA-N 310.313 1.756 50 40 DDGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F 6528619 AGQKPIMPPWOTPJ-UHFFFAOYSA-N 303.249 1.809 50 40 DDGB CCOC(=O)C1CCC(NP(=O)(N(C)C)N(C)C)CC1 103646570 GUUREZASCYACSE-UHFFFAOYSA-N 305.359 1.929 50 40 DDGB CCNC(=S)NNC(=O)CSc1nc2ccccc2n1C 13635852 HEFMVHKKBJXDAX-UHFFFAOYSA-N 323.447 1.181 50 40 DDGB C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)c1ccoc1C 4549496 YJDOEODPTODKBD-VAKHEIKFSA-N 307.350 1.379 50 40 DDGB CCOc1ccc(C(=O)NNC(=O)c2ccco2)cc1OC 8354696 QXEZGOTVZAYFRO-UHFFFAOYSA-N 304.302 1.762 50 40 DDGB COCCOC(=O)/C(C#N)=C\c1cc(OC)c(O)c([N+](=O)[O-])c1 57395568 FYTMFRWYGCYYFP-YHYXMXQVSA-N 322.273 1.406 50 40 DDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 32510058 FNWZZANWKZRZEI-CYBMUJFWSA-N 310.313 1.723 50 40 DDGB COc1cccc(C(=O)NNC(=O)c2cccc(C)c2O)c1 290286 HOLLFCBKEJKAMB-UHFFFAOYSA-N 300.314 1.784 50 40 DDGB O=C(Cc1cccs1)NNC(=S)NC(=O)c1cccnc1 2316455 VMKGZOFLHDDPQO-UHFFFAOYSA-N 320.399 1.021 50 40 DDGB O=S(=O)(NCCCl)Nc1ccc(Br)cc1 72119586 RMCJTWLFIBACBR-UHFFFAOYSA-N 313.604 1.934 50 40 DDGB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)NNC(=O)O 6922328 MWOASEAKTCGFEA-UHFFFAOYSA-N 306.274 1.087 50 40 DDGB O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 59459660 ICOPEQUBXBMVEL-RQZCQDPDSA-N 311.297 1.504 50 40 DDGB C#CCOc1ccc(/C=N\NC(=O)c2ccncc2)cc1OC 113855361 NNQQTEILPPRWGH-UNOMPAQXSA-N 309.325 1.866 50 40 DDGB CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C)c12 6646144 PUTMGVAMALUJMA-UHFFFAOYSA-N 317.349 1.295 50 40 DDGB COc1cccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1 40177562 XTARPBQWCGUXEW-LLVKDONJSA-N 317.794 1.454 50 40 DDGB CC1(C)NC(=O)[C@]2(C[C@H](OC(=O)c3ccccc3)C=C2C=O)O1 17130690 OOZBYTLIGFAPOH-CXAGYDPISA-N 315.325 1.362 50 40 DDGB CCOC(=O)NNC(=O)c1nn(-c2ccccc2)cc1OC 21772052 SSUKUFNJNZZHHN-UHFFFAOYSA-N 304.306 1.272 50 40 DDGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(F)cc1 102633181 NFXBWGYUAOSLJE-DJIHRAIXSA-N 318.304 1.110 50 40 DDGB CC1(C)[C@]2(C(=O)NCCN)CC[C@@]1(C)C(=O)[C@@H]2Br 108624951 WVTMNZFGZQVCEF-AQUOVQTQSA-N 317.227 1.220 50 40 DDGB CC(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8935345 PEYYSTHQXVYEQB-UHFFFAOYSA-N 322.324 1.167 50 40 DDGB CO[C@H]1[C@H](C(=O)N(C)C)CC[C@H]1N(C)C(=O)/C(C#N)=C/C(C)C 585289179 FUGXXJVIBJAJFM-LRJZGPEOSA-N 321.421 1.433 50 40 DDGB NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2)c1 208318 VCROOTJFHSRCON-MHWRWJLKSA-N 303.343 1.098 50 40 DDGB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCl)CC1 34781281 UIIZGCXRSWBPOH-UHFFFAOYSA-N 323.824 1.571 50 40 DDGB in-vitro CC1=C(C(N)=O)C(c2ccccc2)=C(C#N)C(=C(C#N)C#N)N1 100257993 RGBSJFUYQKGDKV-UHFFFAOYSA-N 301.309 1.628 50 40 DDGB C[C@@H]1C(C#N)=C(SCC(N)=O)NC2=C1C(=O)CC(C)(C)C2 3154066 ODZCGOVNSKFLLY-MRVPVSSYSA-N 305.403 1.823 50 40 DDGB CCCCSCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 48331723 KKMPXBIUDPPOGK-UHFFFAOYSA-N 324.402 1.752 50 40 DDGB CC(C)=NNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 19955477 MIGWIIXUKOHEOA-UHFFFAOYSA-N 311.407 1.581 50 40 DDGB CCOC(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2 13006189 IZLYJPYZXQJSCQ-UHFFFAOYSA-N 314.345 1.752 50 40 DDGB Cc1ccc(OCC(=O)N/N=C\c2cccnc2)c([N+](=O)[O-])c1 31870536 PKLJFXAZQKRJHQ-MFOYZWKCSA-N 314.301 1.827 50 40 DDGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1O 135176 XSBUCFNIILHXJI-ZXMBATIKSA-N 300.314 1.585 50 40 DDGB O=C1C[C@@]2(C(=O)O)C[C@@H]3C[C@H]2[C@H](O1)[C@@H]3I 5217577 FMHLUZHACOSQIL-SBONEZCDSA-N 322.098 1.216 50 40 DDGB Cc1[nH]nc2c1[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 18052671 RXQWFVLFADSNFE-INIZCTEOSA-N 307.313 1.067 50 40 DDGB COc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 12421666 GNTMLZKSEZRNOH-QWRGUYRKSA-N 318.782 1.221 50 40 DDGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccncc1 58900 ZCMVKTYNWGFKTA-CXUHLZMHSA-N 300.274 1.519 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)C23CCC(CC2)C3)cc1 1721773 WKDOJOHPGRKPFR-UHFFFAOYSA-N 308.403 1.885 50 40 DDGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCC(=O)O)c1 2134950 PIUQWTWRLAHBNG-UHFFFAOYSA-N 322.361 1.509 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)nn1-c1ccccc1 72009436 OCOCKRONRDOADY-AWEZNQCLSA-N 314.345 1.121 50 40 DDGB COC(=O)c1cccc(NC(=O)CCNC(=O)[C@H](C)Cl)c1 8733062 HRFFSIPUYJRNND-VIFPVBQESA-N 312.753 1.545 50 40 DDGB O=C(NNC(=S)NC(=O)c1cccs1)c1cccnc1 2316603 PVCNJDYTVRGKJI-UHFFFAOYSA-N 306.372 1.092 50 40 DDGB N#CC(C#N)=C(N)[C@@]1(C#N)[C@@H](c2ccc(F)cc2)C1(C#N)C#N 14944871 PTIYVEJBWWDVFV-XJKSGUPXSA-N 302.272 1.726 50 40 DDGB COc1ccc(C(=O)NN)cc1COc1ccccc1OC 224237267 GIZAOZHSECYZPU-UHFFFAOYSA-N 302.330 1.886 50 40 DDGB O=C(Cl)CNS(=O)(=O)c1ccc(Br)cc1 5553458 GSGLZTSIURBZGW-UHFFFAOYSA-N 312.572 1.493 50 40 DDGB CCOc1ccc(/C=N/NC(=O)C[n+]2ccccc2)cc1OC 2705235 FDIWJWYCSZUODS-LDADJPATSA-O 314.365 1.532 50 40 DDGB CC(C)CCC1(CCBr)C(=O)NC(=O)NC1=O 1752214 UJOODEOZMMNZJJ-UHFFFAOYSA-N 305.172 1.560 50 40 DDGB CCOc1ccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)cc1 100243908 ZFAJTSDVDJXSHE-NGWPFTMJSA-N 316.361 1.438 50 40 DDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2cccs2)[C@H](C(=O)O)C1 2793055 AIFMCKCBSLBLMX-GHMZBOCLSA-N 322.386 1.956 50 40 DDGB CSc1nc(NC(C)C)nc(N2C[C@@H](CCl)OC2=N)n1 4793809 PYKSKENZRFOMAK-SSDOTTSWSA-N 316.818 1.793 50 40 DDGB O=C(NNC(=O)c1ccccn1)c1ccc(N2CCCC2=O)cc1 8198094 BBKOGCXSAWJWFC-UHFFFAOYSA-N 324.340 1.283 50 40 DDGB C=C[C@H]1OC[C@H]2O[C@H](OCCCl)[C@H]3O[C@H](C=C)O[C@H]3[C@@H]2O1 4285566 GCERILMWXXKMLZ-NOBQPTBPSA-N 318.753 1.190 50 40 DDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1 2697894 ZUWKPMFRBBUTSF-OAHLLOKOSA-N 314.341 1.958 50 40 DDGB O=C(CC1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 12998430 LRCFRMUVIGEUDV-AWEZNQCLSA-N 304.346 1.554 50 40 DDGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1 408795150 BOMBNGSNNHPOEG-KAQJVSAMSA-N 302.330 1.972 50 40 DDGB Cn1nc(C(=O)N/N=C2/C[C@H]3C=CC[C@H]23)c2ccccc2c1=O 38720329 PSULSGMMPCSRPL-URDLNDTPSA-N 308.341 1.615 50 40 DDGB CCc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1 575425325 XYYGQGUARGXDHV-RKDXNWHRSA-N 322.839 1.836 50 40 DDGB CC1(C)NC(=O)[C@]2(C[C@@H](OC(=O)c3ccccc3)C=C2C=O)O1 5464165 OOZBYTLIGFAPOH-SUMWQHHRSA-N 315.325 1.362 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(Cl)cc1 2775728 YNQDEYUCFSAYIZ-NEPJUHHUSA-N 324.764 1.992 50 40 DDGB COc1cc2nc(CBr)c(=O)n(C)c2cc1OC 2522702 MAGGXASHVAMJCT-UHFFFAOYSA-N 313.151 1.846 50 40 DDGB NC(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1 104263497 ZOXBOZFLMAHAQY-SXGWCWSVSA-N 303.193 1.973 50 40 DDGB CS(=O)(=O)SCC(F)(F)CSS(C)(=O)=O 77291584 PBEXCEGWZMGZPU-UHFFFAOYSA-N 300.395 1.007 50 40 DDGB in-vitro CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(OC)cc1 96519142 VQNFYQOUELKJRU-QWRGUYRKSA-N 323.208 1.884 50 40 DDGB COCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)C(C#N)=C(N)O1 4189167 DBHAWKNUOPQMSL-CQSZACIVSA-N 314.341 1.876 50 40 DDGB O=C(CCC(=O)N/N=C/c1cccnc1)NCc1ccccc1 4523899 DLKFGZYYPXQSSF-DEDYPNTBSA-N 310.357 1.628 50 40 DDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)o2)cc1 5618392 LRLYIZWTEIPSPY-CXUHLZMHSA-N 301.302 1.685 50 40 DDGB NNC(=O)c1cn(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 216960682 FNBLQGCEYXIKBL-UHFFFAOYSA-N 324.296 1.842 50 40 DDGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 45957860 OVHVYHWOFYDQFO-CYBMUJFWSA-N 322.792 1.637 50 40 DDGB CC1=NOC(=O)[C@]12C(N)=C(C#N)C(C#N)(C#N)[C@@H]2c1ccccc1 501151 PCKACTMTICUFCB-SUMWQHHRSA-N 317.308 1.473 50 40 DDGB C[C@@]12CC[C@@H](/C(=N/N=C(N)N)C1=O)[C@@]2(C)CBr 5721259 MWWIFFOPFPFRNH-QDWCHFKFSA-N 301.188 1.016 50 40 DDGB CC(=O)Nc1ccc(/C=C/C(=O)NNC(=O)c2ccco2)cc1 23357118 UHPVYZUXYCTTTC-RMKNXTFCSA-N 313.313 1.712 50 40 DDGB Cc1cccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 358752 PBHKSNOTMKMTTK-QWHCGFSZSA-N 304.346 1.647 50 40 DDGB O=C(NNC(=S)NC(=O)c1ccccc1)c1ccc(O)cc1 2690703 AVOKZYQEAMWHBY-UHFFFAOYSA-N 315.354 1.342 50 40 DDGB CC(=O)NNc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 8327571 KCQNBCIHNMNDBV-UHFFFAOYSA-N 311.388 1.677 50 40 DDGB C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccccc1[N+](=O)[O-] 69417078 IZWUEYOHKCOUPF-QWRGUYRKSA-N 309.322 1.622 50 40 DDGB COc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)ccc1O 3058042 XZAOSXZTSVJVCV-LICLKQGHSA-N 319.361 1.300 50 40 DDGB O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1O 7777540 QTCGAKUVGQXWNG-UHFFFAOYSA-N 315.285 1.304 50 40 DDGB O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccnc1 1877324 NSJUQEVMRCUINH-DJKKODMXSA-N 300.293 1.101 50 40 DDGB Cc1ccsc1/C=C(/C#N)C(=O)NCCCN1CCOCC1 26687084 LTGXNARYWUHEEE-KAMYIIQDSA-N 319.430 1.802 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(C)c([N+](=O)[O-])c1 23724290 CDWNEQJRJIBTOL-MDWZMJQESA-N 303.318 1.963 50 40 DDGB CC(/C=C/c1ccccc1)=N\NC(=O)Cn1cnc([N+](=O)[O-])n1 17201771 FEQWNZWAPKZOCY-LLDULDGKSA-N 314.305 1.392 50 40 DDGB O=C(NNC(=S)NC(=O)c1cccc(F)c1)c1ccncc1 32118872 POPAXYUQQJTZHR-UHFFFAOYSA-N 318.333 1.170 50 40 DDGB Cc1cc(C(=O)NNC(=O)NCCCn2ccnc2)c(C)o1 54028869 OJICGLGSBHIJKR-UHFFFAOYSA-N 305.338 1.127 50 40 DDGB COc1ccccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 12421661 BQUDFVCXSAPLIC-WCBMZHEXSA-N 318.782 1.221 50 40 DDGB CCOC(=O)C1=C(C(C)=O)[C@@H](c2cccnc2)C(C#N)=C(N)O1 499626 DKONMJKMPGOTHK-ZDUSSCGKSA-N 313.313 1.295 50 40 DDGB O=C(N/N=C/c1ccc(O)c(O)c1)[C@@H]1COc2ccccc2O1 546573 WQUVDUXLFXZBEL-IWAJPKQASA-N 314.297 1.388 50 40 DDGB O=C(Nc1ccccc1Cl)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 106002586 KXEGXSPGGVXHSP-PSASIEDQSA-N 323.201 1.866 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)CCC(=O)c1cccs1 104744358 QWQBQUHCPFNIJG-KTKRTIGZSA-N 306.343 1.580 50 40 DDGB CCCCOc1ccc(/C=N/NC(=O)[C@H]2CCCNC2=O)cc1 1881554 RFXZBQMXWOANIE-UZUMKDMXSA-N 317.389 1.842 50 40 DDGB O=C(CCc1ccccc1)NCC(=O)N/N=C/c1cccnc1 2287546 XNSOUOVZJIYGGP-UDWIEESQSA-N 310.357 1.281 50 40 DDGB Cc1cnc([C@H](C)NCC(=O)NNC(=O)c2ccco2)s1 97112412 HNWZHKZCHLGOEC-VIFPVBQESA-N 308.363 1.156 50 40 DDGB CCN1CCN(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1 9691528 AHNBYVMDZCHZRU-UHFFFAOYSA-N 310.785 1.332 50 40 DDGB NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccccc1N 1889263482 SMYUICKAEMQIQE-FXBPSFAMSA-N 322.324 1.360 50 40 DDGB COc1ccccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 12421663 BQUDFVCXSAPLIC-PSASIEDQSA-N 318.782 1.221 50 40 DDGB CC(=O)NNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 31591243 NTRGHESJXKHJQO-UHFFFAOYSA-N 304.375 1.966 50 40 DDGB COc1cc(/C=N/NC(=O)CCn2nc(C)cc2C)ccc1O 501957 SLXWUPXUPCRQDK-LICLKQGHSA-N 316.361 1.755 50 40 DDGB Cc1nc(C)c(C(=O)NNS(=O)(=O)c2ccccc2)s1 3218600 VOFJQFBNPKOIBS-UHFFFAOYSA-N 311.388 1.383 50 40 DDGB COc1ccc(OCC(=O)N/N=C\c2ccc(N(C)C)o2)cc1 408996038 CPTJGIPWPDBKCX-YVLHZVERSA-N 317.345 1.883 50 40 DDGB CCn1ncnc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253397000 FHKXTYRIDWUXDD-GFCCVEGCSA-N 313.361 1.749 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(C)=O 58988 PSUHJNDMPGSVDE-VCHYOVAHSA-N 313.313 1.779 50 40 DDGB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NNC(=O)c2cnccn2)o1 27132170 GSMACZHTGCQLSD-PEWKINPCSA-N 312.329 1.667 50 40 DDGB CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)NC)c1C 3337421 VUWQJUYSHKIPDI-UHFFFAOYSA-N 318.782 1.770 50 40 DDGB C=CCNC(=S)NNC(=O)[C@H](CCC(C)C)C[C@H](C)O 8686391 SRBWVUFOJQUFHS-NWDGAFQWSA-N 301.456 1.491 50 40 DDGB COC(=O)N[C@@H](/N=C(\N)c1ccc(OC)cc1)C(Cl)Cl 97946897 XEXQRGWLMLNBKV-LLVKDONJSA-N 320.176 1.886 50 40 DDGB C=CCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 5817035 KNOGMVZELSGJPT-CYVLTUHYSA-N 306.325 1.748 50 40 DDGB Cc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)[nH]n1 18240613 AYMCYGLDHHRKGY-MKMNVTDBSA-N 303.278 1.404 50 40 DDGB Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(O)cc1)C(=O)N2C 58418 YRAZIUSSYHNJCR-SDXDJHTJSA-N 309.325 1.811 50 40 DDGB CC(=O)NNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 60742370 TYJJQAOQDUSOGB-MRXNPFEDSA-N 324.336 1.922 50 40 DDGB C[C@@H](C(=O)CCl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 549969 RHBFWHSCPBGDRP-QMMMGPOBSA-N 320.754 1.412 50 40 DDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccco1 59434000 JJEZFLCRHHXRHT-CXUHLZMHSA-N 301.302 1.685 50 40 DDGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1 70038392 KMFDUZJDEXAKLV-RISCZKNCSA-N 320.364 1.677 50 40 DDGB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1cccc2ccccc12 4939954 VKVIPTIGKSCIRT-KBPBESRZSA-N 323.801 1.974 50 40 DDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)[C@@H](O)c1ccccc1 34044 IRMGULSXDMBLLW-FSEGOYHTSA-N 315.285 1.484 50 40 DDGB COc1ccc(C(=O)NNc2nc(C)cc(C)n2)c(OC)c1 11333948 FAPZSRUXAYODDC-UHFFFAOYSA-N 302.334 1.868 50 40 DDGB N#C/C(=C\c1ccccc1OCC(N)=O)C(=O)NC1CCCC1 4677064 UYVVIXUAHYILHK-UKTHLTGXSA-N 313.357 1.516 50 40 DDGB O=c1n(CCCN(CCCl)CCCl)nc2ccccn12 97978482 XZFRYYHZODSXRL-UHFFFAOYSA-N 317.220 1.666 50 40 DDGB in-vitro NC(=O)N/N=C/c1cc(Br)c(N2CCCC2)o1 59678257 YVGRHLYICWRGML-AWNIVKPZSA-N 301.144 1.645 50 40 DDGB N#CCOc1ccccc1/C=N/NC(=O)[C@H](O)c1ccccc1 59165645 NWYDWGMIHQSFAG-PUMYGXPMSA-N 309.325 1.773 50 40 DDGB N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](c2ccc(F)cc2)C1(C#N)C#N 14944875 PTIYVEJBWWDVFV-CZUORRHYSA-N 302.272 1.726 50 40 DDGB CC(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccco1 32673389 ZEIBWSZWEWRJOG-UHFFFAOYSA-N 315.329 1.949 50 40 DDGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 59357 JOXQYKLGZCQXDC-RQZCQDPDSA-N 313.313 1.820 50 40 DDGB CCc1nnc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)s1 5341836 WFDWMEQSZBEJOF-TWGQIWQCSA-N 303.347 1.235 50 40 DDGB CCc1n[nH]c(SCC(=O)NNC(=O)c2ccccc2C)n1 5961431 KOAHPXPZICCNOI-UHFFFAOYSA-N 319.390 1.229 50 40 DDGB CS(=O)(=O)Nc1ccccc1C(=O)NNc1ccc(F)cc1 42065387 SFDYRKJGOSBVRJ-UHFFFAOYSA-N 323.349 1.954 50 40 DDGB CC1(C)[C@]2(C)CC[C@]1(C(=O)O)C(=O)/C2=N\NC(=O)c1ccco1 100920079 UAWRAYLZHPCOCO-ZXYGXNQISA-N 318.329 1.845 50 40 DDGB O=S1(=O)CC[C@@H](CNC(=S)OC[C@H](Cl)CCl)C1 59568598 FABYIJBAUBZELV-JGVFFNPUSA-N 320.263 1.158 50 40 DDGB O=C(/C=C(\CBr)N1CCOCC1)C(F)(F)F 3394885 GXJOWVIDQBCAPP-FNORWQNLSA-N 302.090 1.729 50 40 DDGB Cc1ccc(O[C@@H](C)C(=O)N/N=C2\N=C(N)c3ccccc32)cc1 16293549 IVCWBLKZFKLGRE-LBPRGKRZSA-N 322.368 1.959 50 40 DDGB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)CBr)C1 72207498 QQZSGNQRLQNPLY-MNOVXSKESA-N 317.227 1.631 50 40 DDGB CCOC(=O)NNC(=O)c1ccc(Br)cc1O 49446829 RSIPAWAOROYSCN-UHFFFAOYSA-N 303.112 1.546 50 40 DDGB CCOC(=O)N/N=C(\C)c1ccc(S(C)(=O)=O)c(OC)c1 98052640 TWZBTUSSBCADNW-NTEUORMPSA-N 314.363 1.569 50 40 DDGB COC(CCO[P@](N)(=O)N(CCCl)CCCl)OC 6385230 WFMARUXQFGWHKM-SFHVURJKSA-N 323.157 1.858 50 40 DDGB COc1cccc(/C=N\NC(=O)Cc2cccn2C)c1OC 12428187 SCOBSSCVHMRFJH-BOPFTXTBSA-N 301.346 1.735 50 40 DDGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Cl 3887313 YUYQDWSUJMXBHY-SECBINFHSA-N 304.799 1.811 50 40 DDGB C[C@H]1C(C=O)=C(N)[C@](C#N)(CC(=O)c2ccccc2)C1(C#N)C#N 22028200 FXFUNOQJMBGJLS-YVEFUNNKSA-N 318.336 1.864 50 40 DDGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 18144018 FNWZZANWKZRZEI-ZDUSSCGKSA-N 310.313 1.723 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1O 12979516 GWHDPVLVDPRJEG-UHFFFAOYSA-N 315.373 1.765 50 40 DDGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 98086610 URHBQWZJGBTFQG-VCHYOVAHSA-N 313.313 1.397 50 40 DDGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Cl)c1O 32516042 PZJKMKPHGIDMEU-GIDUJCDVSA-N 308.725 1.850 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccco2)c([N+](=O)[O-])cc1OC 8043487 YWPLDHYYZJOUTD-OVCLIPMQSA-N 319.273 1.969 50 40 DDGB CNC(=S)NNC(=O)CSCc1ccccc1Cl 5879385 XINCDDJOSQSXGC-UHFFFAOYSA-N 303.840 1.698 50 40 DDGB Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2c[nH]c3ccccc23)n1 258164 CLGRTOVBOFQRGY-FRKPEAEDSA-N 312.289 1.574 50 40 DDGB COc1cc([C@H](C#N)NNC(=O)c2ccccc2O)ccc1O 1633725 XCMGBOMIGRLWQB-LBPRGKRZSA-N 313.313 1.606 50 40 DDGB NC(=O)N/N=C/c1sc(=O)n(Cc2ccccc2)c1Cl 546571 NNCPEGYHROCFLB-GIDUJCDVSA-N 310.766 1.614 50 40 DDGB O=C(/C=C/c1nc2ccccc2o1)NNC(=O)c1cccnc1 22593650 GARUDTKKQTUXBN-BQYQJAHWSA-N 308.297 1.697 50 40 DDGB O=C(CC(=O)NC1CCCCC1)N/N=C\c1ccc(O)cc1 58885174 HMRXHBATIWKQET-BOPFTXTBSA-N 303.362 1.681 50 40 DDGB O=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccccc1 3376404 XZHWLBCAJNBXNT-UHFFFAOYSA-N 318.354 1.295 50 40 DDGB CCc1noc(C)c1C(=O)NNC(=O)COc1ccc(C)cc1 12979945 VUEPWBCDNSPCAF-UHFFFAOYSA-N 317.345 1.694 50 40 DDGB O=[N+]([O-])c1ccc(P(=O)(O)c2ccc([N+](=O)[O-])cc2)cc1 1577140 UGYSJJVSXHEHDR-UHFFFAOYSA-N 308.186 1.724 50 40 DDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2C)cc1 1022115 BCSUDMIRTCAIEG-UHFFFAOYSA-N 320.370 1.627 50 40 DDGB CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)/C(=N/NC(=O)c1ccco1)C2=O 100920080 UAWRAYLZHPCOCO-GSEUPMHVSA-N 318.329 1.845 50 40 DDGB CC1(C)[C@]2(C(=O)O)CC[C@]1(CBr)C(=O)OC2=O 103708024 NPZWOOZGEDGQLW-QWRGUYRKSA-N 305.124 1.342 50 40 DDGB CC(C)C(=O)NN(CCC#N)C1=NS(=O)(=O)c2ccccc21 5632733 MDDPEIXWHFUDOJ-UHFFFAOYSA-N 320.374 1.038 50 40 DDGB COc1ccc(-c2ccc(/C=C/C(=O)NN)o2)c([N+](=O)[O-])c1 226257701 MJEIXKFBDOCYGZ-QPJJXVBHSA-N 303.274 1.867 50 40 DDGB COc1ccccc1OCC(=O)N/N=C/c1c(C)nn(C)c1F 252494557 NYMXFFOGGNRAMK-CAOOACKPSA-N 320.324 1.405 50 40 DDGB C/C=C/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 5702861 FMSCXAIPPCXQLN-MQQKCMAXSA-N 322.748 1.777 50 40 DDGB CC1(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)OCCCO1 59366743 BCHOJMSKBAAFAH-XNTDXEJSSA-N 307.306 1.588 50 40 DDGB NNC(=O)COc1c(Br)cc(Cl)cc1[N+](=O)[O-] 110564249 VBPPBVNWSNBXKN-UHFFFAOYSA-N 324.518 1.379 50 40 DDGB C/C(=N\NC(=O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 5370003 RCLGLKNNFPHFKH-FOWTUZBSSA-N 304.350 1.921 50 40 DDGB N#CC1=C(N)n2ncnc2N[C@@H]1c1ccccc1Br 18199595 ZKJWQBACDMCCKV-SNVBAGLBSA-N 317.150 1.858 50 40 DDGB CC[C@H](CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 26808070 IXQWZYQGOKWWCY-SECBINFHSA-N 323.305 1.247 50 40 DDGB COC(=O)c1ccc(OC)c(NC(=O)CBr)c1 72226448 CDQLXRWOMCHWID-UHFFFAOYSA-N 302.124 1.815 50 40 DDGB O=C(NNC(=O)C1CC1)c1ccnc(OCc2ccccc2)c1 52997955 VTBDEOAXUYEEGI-UHFFFAOYSA-N 311.341 1.832 50 40 DDGB COc1cc(C(=O)NNC(=O)CC(C)C)cc(OC)c1OC 5726973 SGFZUICWBDQLMC-UHFFFAOYSA-N 310.350 1.520 50 40 DDGB Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1ccncc1 41091144 NNRZOUQSAVZHDZ-UHFFFAOYSA-N 309.322 1.152 50 40 DDGB O=C(Cc1ccc(Cl)cc1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 9483997 YGELZJOABRTIPM-MNOVXSKESA-N 322.213 1.403 50 40 DDGB C[C@@H]1C(C=O)=C(N)[C@@](C#N)(CC(=O)c2ccccc2)C1(C#N)C#N 22028204 FXFUNOQJMBGJLS-PXAZEXFGSA-N 318.336 1.864 50 40 DDGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1 320585 DIJWJRZQBAUOAG-UHFFFAOYSA-N 308.334 1.757 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccncc2)n1C 104797603 BQWSNXPHVQJOMK-LUAWRHEFSA-N 314.374 1.295 50 40 DDGB C#CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NC(N)=O 409229611 RVJFEQGWKSXGFF-RAXLEYEMSA-N 319.320 1.954 50 40 DDGB CCn1ncc(/C=N/NC(=O)c2nn(C)c(C)c2Cl)c1F 252489713 JYCYGXYNHBQAFI-PJQLUOCWSA-N 312.736 1.501 50 40 DDGB CCOC(=O)NNC(=O)c1ccc(N2CCCCCC2)nc1 29760531 GPGJVINRHYMRSU-UHFFFAOYSA-N 306.366 1.853 50 40 DDGB O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C1CC1 100155016 MRPYPMUXCGIPLE-NSHDSACASA-N 307.737 1.003 50 40 DDGB COC(=O)COc1ccc(CNC(=O)CCl)cc1[N+](=O)[O-] 16189834 GFMUGRPESZLQDV-UHFFFAOYSA-N 316.697 1.002 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)Cc2ccccc2)cc1C 8851676 ADCGKMOCKVWNAV-UHFFFAOYSA-N 318.398 1.856 50 40 DDGB CCNC(=S)NNC(=O)CC(=O)Nc1cc(C)ccc1C 13945069 JGRWNUDSFNXLCX-UHFFFAOYSA-N 308.407 1.147 50 40 DDGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)O 408543068 NJYIGAHZMHUQTB-BJMVGYQFSA-N 306.343 1.742 50 40 DDGB COc1ccc(/C=N\NC(=O)Cc2cccn2C)cc1[N+](=O)[O-] 30734354 ITINPYJOQLUTGI-YBEGLDIGSA-N 316.317 1.635 50 40 DDGB O=C(O)CC[C@H](Br)[C@H](Br)C(=O)O 1720120 NCYXNUHATKQYGV-UCORVYFPSA-N 303.934 1.463 50 40 DDGB CC(=O)N[C@@H](C)C(=O)NNC(=O)c1oc2ccccc2c1C 22698845 IJFYQRGHGYYYTB-VIFPVBQESA-N 303.318 1.027 50 40 DDGB NC(=O)Cn1cc(/C=N/NC(=O)c2ccccn2)c2ccccc21 9260028 IMMTUUCALDKTIN-AWQFTUOYSA-N 321.340 1.286 50 40 DDGB O=C(Cl)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 11847756 KMGXMIIFTHCUBM-UHFFFAOYSA-N 308.142 1.786 50 40 DDGB COc1cc(C(=O)N/N=C2\CCSC2)cc(OC)c1OC 5915687 QFOZUIFRXDQONA-XNTDXEJSSA-N 310.375 1.935 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)CCc2ccccc2F)n1 8305305 GHFABHOXBDLYPQ-UHFFFAOYSA-N 318.352 1.419 50 40 DDGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3009069 MASWGHFZJYHJJE-YBFXNURJSA-N 311.341 1.462 50 40 DDGB Cc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1 4851665 LGLNMHIPVWTTFV-UDWIEESQSA-N 310.357 1.547 50 40 DDGB CC(=O)NNc1ncnc2c1cnn2-c1ccc(Cl)cc1 4355200 OLQMYOYGFXRKQO-UHFFFAOYSA-N 302.725 1.932 50 40 DDGB CCn1ncc(/C=N/NC(=O)COc2ccccc2OC)c1F 252491801 LTLNCNXWLIXBIS-CAOOACKPSA-N 320.324 1.580 50 40 DDGB Cc1cccc(OCC(=O)NNC(=O)c2ccc3[nH]cnc3c2)c1 32971038 QISCXGNSXSBHHR-UHFFFAOYSA-N 324.340 1.711 50 40 DDGB Cc1ccc(C(=O)NNC(=O)Cn2nnc3ccccc32)cc1 419320 SEPZJNYABFTPDN-UHFFFAOYSA-N 309.329 1.201 50 40 DDGB CC1(C)Oc2ccc(C(=O)N/N=C/c3ccccn3)cc2NC1=O 35291258 YKHPIOGPHRCSQE-VXLYETTFSA-N 324.340 1.955 50 40 DDGB O=C(C[C@H]1C=CCC1)NNC(=O)[C@@H]1COc2ccccc2O1 21191204 ZRNBNNOTTUMAMD-FZMZJTMJSA-N 302.330 1.330 50 40 DDGB Cc1n(C[C@@H](O)CCl)c2ccccc2[n+]1C[C@@H](O)CCl 500464 OFWSHZQCHDOJCQ-RYUDHWBXSA-N 318.224 1.437 50 40 DDGB CC1(CC(=O)N/N=C/c2ccc(OCC#N)cc2)OCCO1 59472799 SMRFFJNJSFTGRR-GZTJUZNOSA-N 303.318 1.192 50 40 DDGB CCCc1[nH]nc2c1[C@]1(CC[C@H]3CO[C@@H]1O3)C(C#N)=C(N)O2 8783482 OFMOODVUJLVUEI-SVGYWBMUSA-N 302.334 1.222 50 40 DDGB CCn1c(N)c(C(=O)CCl)c(=O)n(-c2ccccc2)c1=O 72415074 VDFNIVHMZPHQCV-UHFFFAOYSA-N 307.737 1.023 50 40 DDGB CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 30602845 IXWYGUQBODGOFU-GFCCVEGCSA-N 321.377 1.325 50 40 DDGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccn1 381439 WIJQOOOWHOUHMQ-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB Cc1cc(C)nc(NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)n1 22236125 BNMDLXSOKAAFJR-FZMZJTMJSA-N 314.345 1.765 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cs1 102043544 CZGFSPZQBIMQAG-XPXLGCRWSA-N 320.370 1.340 50 40 DDGB Cc1cccc(OCC(=O)NNC(=O)c2ccc(O)cc2)c1 12995531 USQAEVGDXHOWED-UHFFFAOYSA-N 300.314 1.541 50 40 DDGB CCNC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1 6447198 HAMJNUVXHCPVLI-UHFFFAOYSA-N 309.435 1.878 50 40 DDGB O=C(NNC(=O)C1CCCC1)c1ccc(C(F)(F)F)nc1O 84338973 LXXQUNSQMSMHMS-UHFFFAOYSA-N 317.267 1.757 50 40 DDGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc[nH]1 408974944 GJPUMAPYRWREGQ-FVOVHSBVSA-N 310.357 1.481 50 40 DDGB O=C(Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 96025099 HBQLUQSRYYYXMN-VIFPVBQESA-N 305.758 1.992 50 40 DDGB CO[C@]1(CCC(N)=O)CCCN(C(=O)/C(C#N)=C/C(C)C)C1 585289994 PJUGJRPDJNUUQX-WQMJKPAKSA-N 307.394 1.365 50 40 DDGB Cc1nn(C)c(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 13510715 PSKTXQYPBZYBLM-UHFFFAOYSA-N 320.265 1.302 50 40 DDGB COc1cccc(OC)c1C(=O)NNc1ccc(Cl)nn1 153123 LZFTZAIRPWEKPT-UHFFFAOYSA-N 308.725 1.904 50 40 DDGB C=CCNC(=S)NNC(=O)COc1ccc(CCC)cc1 4602476 DUHCQJPRTZCYAK-UHFFFAOYSA-N 307.419 1.699 50 40 DDGB O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc(O)cc1O 12564401 XOUZDSPWBMJPNN-VIZOYTHASA-N 316.342 1.500 50 40 DDGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 4547856 KVLFLCOCFDACPP-UHFFFAOYSA-N 303.249 1.809 50 40 DDGB O=C(CBr)c1cc2c(cc1[N+](=O)[O-])OCCO2 67340205 NEZUNOOINIUPIM-UHFFFAOYSA-N 302.080 1.944 50 40 DDGB O=C(Cl)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 96345856 KOEHPQQOZZZTNT-JTQLQIEISA-N 322.791 1.026 50 40 DDGB NC(=O)N/N=C/c1ccc2c(c1N)C(=O)c1ccccc1C2=O 4235267 VIZSKQWYJNAGAR-FBCYGCLPSA-N 308.297 1.046 50 40 DDGB BrCC[N+]12CC[N+](CCBr)(CC1)C2 19319544 KSAKJWPVMDTAJE-UHFFFAOYSA-N 314.065 1.395 50 40 DDGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 3071140 ZXRPUMGLMOOCHR-UHFFFAOYSA-N 301.258 1.375 50 40 DDGB Cn1cc(C(=O)N/N=C/c2ccc3ncccc3c2)ccc1=O 12524195 DSQVINSRPYXZLE-VXLYETTFSA-N 306.325 1.697 50 40 DDGB NC(=O)[C@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 26222431 FRWUDARAPULTQX-OAHLLOKOSA-N 317.776 1.730 50 40 DDGB N#C[C@H](O)C(Br)(Br)Br 104033883 YRVKHDJXSXWQKB-REOHCLBHSA-N 307.767 1.709 50 40 DDGB Cc1cc(C(=O)NNC(=O)Cc2cn3ccsc3n2)c(C)o1 17443939 WACKZHBHEGAJEI-UHFFFAOYSA-N 318.358 1.609 50 40 DDGB Cc1ccc(CN2CCC[C@H]2C(=O)NNC(=O)CCl)cc1 72329887 DWZAEAMGFWZEFJ-ZDUSSCGKSA-N 309.797 1.346 50 40 DDGB CCNC(=O)NNC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2o1 408566867 ITROOYBVJJFNQC-UHFFFAOYSA-N 322.277 1.314 50 40 DDGB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccco1 34201289 DVDOQFWUVDPHLH-JTQLQIEISA-N 323.349 1.440 50 40 DDGB Cc1ccc(C)c(OCCC(=O)NNC(=O)c2ccncc2)c1 13019695 GEFAZRPNKCIKKS-UHFFFAOYSA-N 313.357 1.929 50 40 DDGB CCCc1cc(C(=O)NNC(=O)c2cnccn2)sc1C 9747365 RFZSUYUURZHSMB-UHFFFAOYSA-N 304.375 1.874 50 40 DDGB COc1ccccc1C(=O)NCC(=O)N/N=C(\C)c1ccco1 4833429 NQEXFGTYOHVIAZ-WOJGMQOQSA-N 315.329 1.558 50 40 DDGB O=C(N/N=C/c1ccccc1)c1c(O)[nH]c2ccccc2c1=O 18107190 ADDZLKKZKXLNRZ-VCHYOVAHSA-N 307.309 1.998 50 40 DDGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cc[n+]([O-])cc1 3170092 XMHLSHVBIAZZCD-RQZCQDPDSA-N 307.256 1.685 50 40 DDGB O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)[C@@H]1CCS(=O)(=O)C1 102216442 BSKGHDZYPWSQMD-WGOAKNJKSA-N 310.419 1.349 50 40 DDGB COc1cccc(OCC(=O)NNC(=O)c2ccc(O)cc2)c1 546434 CLKWZOLDHPTVKC-UHFFFAOYSA-N 316.313 1.241 50 40 DDGB O=C(Cn1nnc2ccccc21)N(CCCl)CCCl 1614274 HDPDAPUSNUOSCG-UHFFFAOYSA-N 301.177 1.738 50 40 DDGB O=C(Cc1ccccc1)NNC(=O)Nc1ccc2c(c1)OCO2 12816904 YZPWFHVDLRUJLD-UHFFFAOYSA-N 313.313 1.811 50 40 DDGB C[C@@H](Cl)c1nc2sc3c(c2c(=O)[nH]1)CCS(=O)(=O)C3 48412397 MMHHNMINZJVEQX-RXMQYKEDSA-N 318.807 1.755 50 40 DDGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2)c1C 8767875 KZHBVACIHVYHOQ-UHFFFAOYSA-N 315.329 1.493 50 40 DDGB COCCNC(=S)NNC(=O)c1cccc(C(F)(F)F)c1 42083621 LJELLKFIJNJDFC-UHFFFAOYSA-N 321.324 1.461 50 40 DDGB CCN1C(=O)/C(=N/NC(=O)COc2ccccc2)c2ccccc21 5909351 IFDZHMKAYSNKNO-LVZFUZTISA-N 323.352 1.952 50 40 DDGB COc1ccccc1NCC(=O)N/N=C/c1ccc(O)c(O)c1 3577348 NQTRQDGRGORPBY-GIJQJNRQSA-N 315.329 1.669 50 40 DDGB CNC(=O)c1noc(C(=O)c2ccccc2)c1NC(=O)CCl 4770262 AFJJZDYBPJSMQW-UHFFFAOYSA-N 321.720 1.443 50 40 DDGB Cc1ccsc1/C=C(\C#N)C(=O)NCCN1CCOCC1 21486986 CLPQIRPPGLXNOE-JLHYYAGUSA-N 305.403 1.412 50 40 DDGB CCOC(=O)[C@H]1C[C@@H](Br)[C@H](Br)C1=O 4532122 WYYIBELAIBSHJR-JKUQZMGJSA-N 313.973 1.666 50 40 DDGB Nc1nonc1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O 55111522 GBJFSIDWFXKVBQ-BNNQUZSASA-N 316.104 1.428 50 40 DDGB COCCNC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459570 PMHZGWZBPMUSFQ-FRKPEAEDSA-N 318.160 1.206 50 40 DDGB O=C(CC(=O)N/N=C/c1ccccc1O)NCc1ccccc1 59501699 YSJNIAJGWMWRNR-XDHOZWIPSA-N 311.341 1.549 50 40 DDGB CCCOc1ccc(C(=O)NNC(=S)NC(=O)CC)cc1 2064446 MVGROEOMVASFLP-UHFFFAOYSA-N 309.391 1.521 50 40 DDGB Cn1cc(C(=O)NNC(=O)c2cccnc2O)c2ccccc21 10737078 UKAVJCSIQKAYIK-UHFFFAOYSA-N 310.313 1.354 50 40 DDGB CC(C)CCCOC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167666 YIHRRLQSGNQXDL-UWVGGRQHSA-N 313.872 1.718 50 40 DDGB C=CCN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21 102807366 KMHJZYAMRAQRIM-XDJHFCHBSA-N 306.325 1.748 50 40 DDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 9453763 OYDCKMDGNLUOHZ-NSHDSACASA-N 304.327 1.349 50 40 DDGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OC 3444051 BXUIUTYKBFIIQK-WLRTZDKTSA-N 302.128 1.469 50 40 DDGB Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 3388061 FRRKTLMDYSAMPU-UHFFFAOYSA-N 312.325 1.613 50 40 DDGB NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 504162 RBXWURXMJQEQBP-INIZCTEOSA-N 322.368 1.499 50 40 DDGB CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 59386590 XJQCDKDBOUBGNC-LDADJPATSA-N 317.389 1.984 50 40 DDGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 8995657 XXQWUCAXZIAJPE-NSHDSACASA-N 302.355 1.931 50 40 DDGB O=C(CCCc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 9420974 WIWKTDKPWGOLHW-CHWSQXEVSA-N 315.822 1.530 50 40 DDGB COc1ccccc1N(C(=O)CCl)[C@H]1C=CS(=O)(=O)C1 111923887 PPZMQVQOJDAZSS-JTQLQIEISA-N 315.778 1.578 50 40 DDGB COC(=O)/C(C#N)=C(\C#N)O[C@]12CCCCCN1CCCN2 255188070 INBIZOGNWHQHDE-LHNRBYRGSA-N 304.350 1.000 50 40 DDGB N#CC1=C(N)Oc2ccc(N)cc2[C@]12C(=O)Nc1ccccc12 103456 HZYJGONCEATYCM-KRWDZBQOSA-N 304.309 1.593 50 40 DDGB Cc1cc(I)cc(C)c1OCC(=O)NN 244372 QXCFUMHQQWPCLA-UHFFFAOYSA-N 320.130 1.277 50 40 DDGB COc1cccc(OC)c1C(=O)NNC(=O)c1cccs1 560094 JUUWJTZXKZRERO-UHFFFAOYSA-N 306.343 1.840 50 40 DDGB COCCNC(=S)NNC(=O)c1ccc2ccccc2c1 7062638 TYHSHQUPZLLPTJ-UHFFFAOYSA-N 303.387 1.595 50 40 DDGB O=C(C[C@@H]1CCCO1)NNC(=O)c1cc(Br)c[nH]1 44939526 LDFPGUZVVIGFKZ-QMMMGPOBSA-N 316.155 1.107 50 40 DDGB Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C/c1cccc(Cl)c1 542406 PDYOTRRJGAZFMT-VIZOYTHASA-N 321.724 1.903 50 40 DDGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1CNCCO1 97228981 UOYCSIJHWKNSPR-KRWDZBQOSA-N 311.385 1.713 50 40 DDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 7813109 OPEOZJQQRIVGAW-VDCVXVNISA-N 313.357 1.910 50 40 DDGB CC(=O)c1c[nH]c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 24455524 AQAYNXLOVUPGJW-UHFFFAOYSA-N 324.340 1.702 50 40 DDGB CC(C)N1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21 101375236 WREJUFLLTIUWMR-XDJHFCHBSA-N 308.341 1.971 50 40 DDGB Cc1nccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)n1 58344361 ZUECURCNZSHDAS-UHFFFAOYSA-N 309.329 1.270 50 40 DDGB CCCN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21 5686312 AAXFPAKQTDLFFT-CYVLTUHYSA-N 308.341 1.972 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1cc2c(cc1C)OCO2 408804357 XWHQDVKWMUKMSI-NTUHNPAUSA-N 302.330 1.783 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)CC2(C)OCCCO2)cc1 408719776 RRWMEZOCPPQRGM-SFQUDFHCSA-N 305.378 1.746 50 40 DDGB N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O 1661 SGDBTWWWUNNDEQ-GFCCVEGCSA-N 305.205 1.925 50 40 DDGB biogenic,in-man O=C(Cc1cc(O)n[nH]1)N/N=C/c1cccc(Br)c1 5350036 AMODMOZPRPBOTH-VGOFMYFVSA-N 323.150 1.571 50 40 DDGB CC(=O)/C(=C\Nc1cc(C)cc(C)n1)C(=O)NC(=O)CCl 100068239 YRNGOAUHHYYHCW-YRNVUSSQSA-N 309.753 1.465 50 40 DDGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccccn1)OCO2 409086915 HXVTVYDAVBTXPM-NVMNQCDNSA-N 313.313 1.973 50 40 DDGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)c(O)c1 5673335 PVARIWAVBBTIQU-CXUHLZMHSA-N 315.285 1.699 50 40 DDGB COc1ccc(/C=N\NC(=O)c2ccccn2)c(OC)c1OC 19850400 OMPKOQYOYYJVIO-ZDLGFXPLSA-N 315.329 1.871 50 40 DDGB Cc1nn(CC(=O)N/N=C/c2ccc(F)cc2)c(C)c1[N+](=O)[O-] 540543 AWMFTTYHUWAIJC-FRKPEAEDSA-N 319.296 1.698 50 40 DDGB Cc1cccc(C(=O)NNC(=O)CN2CCCc3ccccc32)n1 25128638 VHDSZUUPSHSXMC-UHFFFAOYSA-N 324.384 1.604 50 40 DDGB COc1ccccc1CC(=O)NNC(=O)c1ccc(F)cc1 5558060 ONQQKXYIQGJCPJ-UHFFFAOYSA-N 302.305 1.838 50 40 DDGB CC(C)(C)OC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 7942378 NAZJOSLEJGEDIE-UHFFFAOYSA-N 304.306 1.093 50 40 DDGB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN 218706848 CRPAPZOKDZAWEI-JTQLQIEISA-N 304.177 1.738 50 40 DDGB CCN(CC)CCCn1c(CCl)cnc1S(C)(=O)=O 47219308 OFFNSZZTAYMFIS-UHFFFAOYSA-N 307.847 1.757 50 40 DDGB Cc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)cc1 19954490 AQINARGQTUBFFP-UHFFFAOYSA-N 323.418 1.807 50 40 DDGB O=C(CSc1ccccc1F)NNC(=O)c1cnccn1 6508275 JPGBRHNTWHSLIR-UHFFFAOYSA-N 306.322 1.169 50 40 DDGB CC(C)CC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 5789633 AJIPWROASWCQJF-UHFFFAOYSA-N 303.318 1.041 50 40 DDGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NC2CC2)cc1 3291597 YPIPGZWCLASWPH-XYOKQWHBSA-N 300.314 1.424 50 40 DDGB CN(C)/C=C(\C=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100281683 ZSPYUPCJJARSGV-FNORWQNLSA-N 310.222 1.513 50 40 DDGB N#Cc1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 3377461 XSGGFTPLXKHSST-VXLYETTFSA-N 323.308 1.786 50 40 DDGB O=C(NNC(=O)c1ccccc1)C(=O)Nc1ccccc1F 96013246 ZRGVJYJVMADVDU-UHFFFAOYSA-N 301.277 1.225 50 40 DDGB O=C(CCC(=O)c1cccs1)NNC(=O)c1ccccn1 8197473 BFLWHMQMJCGCCG-UHFFFAOYSA-N 303.343 1.567 50 40 DDGB C[C@@H](Oc1ccc(/C=N\NC(=O)c2ccco2)cc1)C(=O)O 32192929 AWUUYJVFFANXLJ-MQHRVFIMSA-N 302.286 1.895 50 40 DDGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1 6327955 RPDCYORPAHIRRA-RQZCQDPDSA-N 303.318 1.381 50 40 DDGB N#CCC(=O)N/N=C/c1coc2ccc([N+](=O)[O-])cc2c1=O 3649358 RSYHQYKNJCEZOP-GIDUJCDVSA-N 300.230 1.065 50 40 DDGB O=C(CC1(O)CCCCC1)N/N=C/c1ccc2c(c1)OCO2 1424040 NNAFFCDKTGPNHG-LICLKQGHSA-N 304.346 1.951 50 40 DDGB O=C(CCl)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 11770607 WTGCGIBZJUIOAK-LLVKDONJSA-N 303.742 1.708 50 40 DDGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1 408804201 DCIWJJMHSNVRKL-DELQEKLWSA-N 302.330 1.972 50 40 DDGB C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)CBr 72207494 DXYQKQUIFUHBDI-MNOVXSKESA-N 317.227 1.773 50 40 DDGB O=C(N/N=C\c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 96453937 ZXDFXUDRSGQHHY-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB COCCNC(=O)CC(=O)N/N=C/c1ccc(OC(C)C)cc1 5381404 VEKIORATJUQKDB-WOJGMQOQSA-N 321.377 1.077 50 40 DDGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)o1 377522 VACMFRKPXRQLDK-LBPRGKRZSA-N 300.270 1.252 50 40 DDGB Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1 3475000 ZBOHLVYDBYQWMR-UHFFFAOYSA-N 312.325 1.613 50 40 DDGB CCOc1ncccc1CNC(=O)NNC(=O)c1cccs1 12545935 XTVRCGIYAKOXAA-UHFFFAOYSA-N 320.374 1.686 50 40 DDGB COCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)C(C#N)=C(N)O1 4189168 DBHAWKNUOPQMSL-AWEZNQCLSA-N 314.341 1.876 50 40 DDGB COCCNC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1 6372302 MOOSHXXMEBUQFW-WDZFZDKYSA-N 306.318 1.079 50 40 DDGB CC(=O)Nc1ccc(CC(=O)NNC(=O)c2cccs2)cc1 7280251 PAWRSQHEOLRJCB-UHFFFAOYSA-N 317.370 1.710 50 40 DDGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 3375250 GPHVRTQJRGIASS-CAOOACKPSA-N 312.281 1.877 50 40 DDGB O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1cccc(Cl)c1 486881 XAKSGSDRASOXTQ-NWDGAFQWSA-N 324.764 1.992 50 40 DDGB CC(=O)NNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 95954569 TYJJQAOQDUSOGB-INIZCTEOSA-N 324.336 1.922 50 40 DDGB O=C1c2ccccc2C(=O)N1CCI 34750556 IMUTXBXKJDBQOY-UHFFFAOYSA-N 301.083 1.718 50 40 DDGB NC(=S)N/N=C1/[C@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@H]1[C@@H]([C@@H]42)[C@@H]5Br 195528811 WDKGDSOBYBOGRK-KSMIBGDLSA-N 312.236 1.327 50 40 DDGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(N)cc1 96519090 AHMORSJGUBWOOC-UWVGGRQHSA-N 308.197 1.458 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2ccccc2OC)cc1 290012 IHNIOWDWCRVYQK-UHFFFAOYSA-N 314.341 1.708 50 40 DDGB CC(C)C(=O)NNC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 44744264 JGLCXWSXWINNEG-BJMVGYQFSA-N 315.373 1.395 50 40 DDGB CC(=O)NNC(=O)c1nccnc1-c1nc2ccccc2s1 6719918 SJXUPLFHWRYJNG-UHFFFAOYSA-N 313.342 1.534 50 40 DDGB N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)O)cc2)o1)C(N)=O 6242594 KHJSCANWIJXUGF-JXMROGBWSA-N 318.310 1.586 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nc(-c2ccccc2)cn1N 105491081 PVLIIJSQUOUISV-BENRWUELSA-N 313.386 1.681 50 40 DDGB Cc1cc(C)n(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)n1 6686936 NIKYCIIIVWVPEM-LZYBPNLTSA-N 300.318 1.348 50 40 DDGB CC(C)=NNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 408780548 DHFVRGRSNQNMQH-UHFFFAOYSA-N 311.407 1.581 50 40 DDGB CN(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1 9762662 IURIJDUBSULVEZ-UHFFFAOYSA-N 301.321 1.723 50 40 DDGB Cc1ccc(-c2nc(C(=O)NN)c(N3CCOCC3)o2)cc1 41154311 BNBHUANEJYCMBH-UHFFFAOYSA-N 302.334 1.090 50 40 DDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccco1 498942 MXEVXWAIEKYDRW-MKMNVTDBSA-N 303.230 1.680 50 40 DDGB COc1cccc(/C=N/NC(=O)c2nn(C)cc2Cl)c1O 550598 RNGUSNUIUPYRFL-GIDUJCDVSA-N 308.725 1.552 50 40 DDGB O=C(NNC(=S)NC(=O)c1cccs1)c1cccs1 2380986 BEKFINSTJPEJRG-UHFFFAOYSA-N 311.413 1.759 50 40 DDGB CCn1c2ccccc2c2cc(/C=N/NC(=O)C(N)=O)ccc21 3575341 KFKCJOOYXOAMKO-VXLYETTFSA-N 308.341 1.750 50 40 DDGB C/C(=N\NC(=O)CNC(=O)c1ccc(F)cc1)c1ccco1 4826259 OMCFAOSBOGDBCW-VCHYOVAHSA-N 303.293 1.689 50 40 DDGB CC1(C)[C@]2(C(=O)N/N=C/c3ccc(O)cc3)CC[C@@]1(C)C(=O)O2 5069109 ZFJAJJMVEFGBKX-LPICFEOCSA-N 316.357 1.964 50 40 DDGB Cn1cccc1C(=O)NNC(=O)c1ccc(-n2cccc2)cc1 71036809 STABTNFYPAQKSE-UHFFFAOYSA-N 308.341 1.891 50 40 DDGB Cc1occc1C(=O)NN[C@@H](C(=O)NC1CC1)c1ccccc1 15474468 XZNCFBLVCCSUQB-OAHLLOKOSA-N 313.357 1.842 50 40 DDGB CN(NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 45140353 HYLLAIPSWQEVCR-CQSZACIVSA-N 311.389 1.861 50 40 DDGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC#N 3335206 JGDASGKFNDUTIJ-VXLYETTFSA-N 310.313 1.756 50 40 DDGB CCN(CC)CCCNC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 1576905 PCJJYLQECJTKOW-XNTDXEJSSA-N 311.342 1.553 50 40 DDGB COc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 40177586 MJUYHRPYFXWJIS-LLVKDONJSA-N 317.794 1.454 50 40 DDGB O=C(CCc1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-] 289275 VFTARTOIHJFAAP-UHFFFAOYSA-N 313.313 1.989 50 40 DDGB CCOC(=O)/C(C#N)=C/C1=C(N2CCOCC2)CC(C)(C)OC1 20840941 MFTPKKTWMZWTQH-UKTHLTGXSA-N 320.389 1.785 50 40 DDGB CC[C@@H](CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 26808063 IXQWZYQGOKWWCY-VIFPVBQESA-N 323.305 1.247 50 40 DDGB C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccccc1C(=O)O 13322537 KWFLTLPCEQXQAN-RQZCQDPDSA-N 314.297 1.950 50 40 DDGB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCl)C1=O 8939797 XFJUOGDKSPZMPZ-CQSZACIVSA-N 309.753 1.200 50 40 DDGB O=C(NNC(=O)c1cc2c([nH]c1=O)CCC2)c1ccccc1F 69656749 LFISUMLWYGJOJR-UHFFFAOYSA-N 315.304 1.078 50 40 DDGB COc1ccc(O)c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1 583103 NYWDJZUFYKXDCP-CAOOACKPSA-N 314.297 1.893 50 40 DDGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)cc(OC)c1OC 7064019 TUYVIBIDNUDEMB-IZZDOVSWSA-N 302.330 1.898 50 40 DDGB Cc1cc(NC(=O)N=C(C(Cl)Cl)N2CCOCC2)no1 575627277 LBJGXJGSZRIVAG-UHFFFAOYSA-N 321.164 2.049 50 40 DDGB N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1cccc(F)c1 83184 XVFUHTIKOBZUAI-JTQLQIEISA-N 305.334 1.383 50 40 DDGB CN(NC(=O)Nc1ccccn1)c1cnn(C)c(=O)c1Cl 58053691 IAPXOSPVXYGRGI-UHFFFAOYSA-N 308.729 1.002 50 40 DDGB CC(C)(CC(=O)NNC(=S)NC1CCCCC1)n1ccnc1 7983882 UURQICHXZYHWIB-UHFFFAOYSA-N 323.466 1.836 50 40 DDGB C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)CBr)C1 72207499 QQZSGNQRLQNPLY-QWRGUYRKSA-N 317.227 1.631 50 40 DDGB CC(C)C(=O)NNC(=O)C1CCN(C(=O)c2ccsc2)CC1 30578384 MVLAZNUALODEJZ-UHFFFAOYSA-N 323.418 1.404 50 40 DDGB NC(=O)NNC(=O)CCCSc1nc2ccccc2s1 3375350 JAMIOBIREOZGNT-UHFFFAOYSA-N 310.404 1.868 50 40 DDGB Cc1cc2ccccc2n1CC(=O)NNC(=O)c1ccncc1 4678146 CVCIKODEZLSZGS-UHFFFAOYSA-N 308.341 1.806 50 40 DDGB O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccn1 8324153 LMGHAHLBPHVUBC-UHFFFAOYSA-N 308.341 1.957 50 40 DDGB CC(C)C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 16839249 JNBWDCSJXNLJRN-UHFFFAOYSA-N 313.357 1.314 50 40 DDGB COc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1 46916711 DNBOSXBFZFAJBR-UHFFFAOYSA-N 305.256 1.130 50 40 DDGB NC(=O)N/N=C(C(=N/NC(N)=O)\c1ccccc1)/c1ccccc1 100923251 NTFDIPFWUOYWSW-AXPXABNXSA-N 324.344 1.132 50 40 DDGB COc1ccc(C(=O)[C@@H](C)Br)cc1S(N)(=O)=O 22053266 SQGAPXNJRUUJFQ-ZCFIWIBFSA-N 322.180 1.309 50 40 DDGB in-vitro O=C(CNC1CCCCC1)N/N=C/c1ccc([N+](=O)[O-])cc1 409389357 YFYBLLVMEHSFIK-LICLKQGHSA-N 304.350 1.967 50 40 DDGB CNC(=O)NNC(=O)c1nn(-c2ccccc2C)c2c1CCC2 65596343 JETNLNQZWWFEEG-UHFFFAOYSA-N 313.361 1.243 50 40 DDGB Cc1ccc(-n2nc(C)c(C(=O)NNC(=O)C3CC3)n2)c(C)c1 15663191 YHEPWXYPMAYFPT-UHFFFAOYSA-N 313.361 1.364 50 40 DDGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 33401728 MOSZCGRZQAPLQB-QPEQYQDCSA-N 304.218 1.860 50 40 DDGB O=C(CCN1C(=O)c2ccccc2C1=O)NNc1ccccn1 82238008 DGGWCYDSGXLGMY-UHFFFAOYSA-N 310.313 1.211 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccoc2)cc1 48071973 XFZCFCVWUQLJCJ-UHFFFAOYSA-N 315.329 1.169 50 40 DDGB COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccc(OC)c1 57509196 SPDAEVQXDZXKHF-LBPRGKRZSA-N 310.737 1.715 50 40 DDGB C[C@H](Cl)c1nc2sc3c(c2c(=O)[nH]1)CCS(=O)(=O)C3 48412395 MMHHNMINZJVEQX-YFKPBYRVSA-N 318.807 1.755 50 40 DDGB CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 408801815 BYVRTVRIPYZABP-NTUHNPAUSA-N 301.346 1.230 50 40 DDGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccco1 75274254 BHCCHMZMWYKROJ-YFEUJDIGSA-N 311.341 1.746 50 40 DDGB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN)c1 214517954 SXICGWKZOMNLKO-UHFFFAOYSA-N 305.359 1.399 50 40 DDGB CCN(CC)C(=O)C(=O)N/N=C/c1cccc(OC)c1OC 3058073 VDCZKVGAHBUTQU-MHWRWJLKSA-N 307.350 1.022 50 40 DDGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C(C)C)[C@@H]2C1 20000824 BYUVHVMGKZIWCM-CABCVRRESA-N 309.373 1.447 50 40 DDGB CCOc1cc2c(cc1/C=N\NC(=O)c1ccncc1)OCO2 409097366 GLEBSGNBPTUVPJ-NVMNQCDNSA-N 313.313 1.973 50 40 DDGB C[C@H]1CN(CN2C(=O)C(=C(C#N)C#N)c3ccccc32)C[C@@H](C)O1 39379245 ZLKKIKGNBDIKNF-BETUJISGSA-N 322.368 1.901 50 40 DDGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(O)cc1O 5494672 PENZRCZVRKAPOA-RQZCQDPDSA-N 314.297 1.981 50 40 DDGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccco1)OC2=O 529531 QNTLFFWGTNWGQT-CABCVRRESA-N 306.318 1.163 50 40 DDGB CC[C@@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(F)cc2)C1=O 2372877 PNGUYBLNBKYBDN-HKLRHMNMSA-N 305.334 1.905 50 40 DDGB CCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 13123132 ZMPWDQUOQNEZQD-DAMBIUFKSA-N 323.352 1.607 50 40 DDGB Cc1cc(C)n(CCC(=O)N/N=C2\C(=O)Nc3ccccc32)n1 13123180 KHXTWHUTGTXNKY-UHFFFAOYSA-N 311.345 1.363 50 40 DDGB Cc1nc(C)c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1 972446 DEDZWPTXPHAOGO-UHFFFAOYSA-N 320.330 1.743 50 40 DDGB CCCCCC(=O)NNC(=O)Cc1nc2ccccc2n1C 12544628 IJAGYSXMHPPFAP-UHFFFAOYSA-N 302.378 1.844 50 40 DDGB O=C1C[C@]2(C(=O)O)C[C@@H]3C[C@H]2[C@H](O1)[C@@H]3I 104157099 FMHLUZHACOSQIL-CRDNTWCNSA-N 322.098 1.216 50 40 DDGB C/C(=N\NC(=O)c1ccccc1F)c1c(O)cc(C)oc1=O 4156264 IDDGAYLAPGAQNI-RQZCQDPDSA-N 304.277 1.947 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc[n+]([O-])cc1 16495134 PWOKZWIJUIHIQR-UHFFFAOYSA-N 315.373 1.297 50 40 DDGB COC(=O)[C@@H](Br)c1ccc(S(C)(=O)=O)cc1 116495503 FCRWSNBULADCBP-VIFPVBQESA-N 307.165 1.699 50 40 DDGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] 252739 CFBJTVDMRFICOO-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@H]2COCC=C12 808931 OHNMABALIOWWMV-GJZGRUSLSA-N 303.325 1.522 50 40 DDGB O=S1(=O)CC[C@H](CNC(=S)OC[C@@H](Cl)CCl)C1 59568601 FABYIJBAUBZELV-SFYZADRCSA-N 320.263 1.158 50 40 DDGB Cc1cc(=O)oc2c(/C=N/NC(=O)c3ccncc3)c(O)ccc12 5538088 JHXUAULJBDCXFB-DJKKODMXSA-N 323.308 1.966 50 40 DDGB NC(=O)N/N=C1/C(=O)N(Cc2ccc(F)cc2)c2ccccc21 5731690 IKHCDRCRLQZWCY-XMHGGMMESA-N 312.304 1.745 50 40 DDGB O=C(N/N=C/c1cccnc1)c1c(O)c2c([nH]c1=O)CCCC2 18010862 GAAFJIIOGIKTII-GIJQJNRQSA-N 312.329 1.118 50 40 DDGB COC(=O)/C=C1\CCCCN1C(=O)CI 96528463 GYEKHDHBOVVQDX-SOFGYWHQSA-N 323.130 1.491 50 40 DDGB COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1 3057771 DTOQJGGCPJTMNT-VCHYOVAHSA-N 319.361 1.086 50 40 DDGB CCCCOc1ccc(C(=O)NNC(=S)NC(C)=O)cc1 2064488 HHLOKYBFWPPSBN-UHFFFAOYSA-N 309.391 1.521 50 40 DDGB O=C(NNC(=O)c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 2651492 OUWMXJKAJYFIMR-UHFFFAOYSA-N 301.258 1.375 50 40 DDGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(O)c1 7813133 YRTMHGRIPUBHFR-XDHOZWIPSA-N 311.341 1.201 50 40 DDGB NC(=S)N/N=C1\[C@@H]2[C@H]3[C@H]4[C@@H](Br)[C@@H]5[C@@H]3C[C@@H]2[C@@H]5[C@H]14 102972780 WDKGDSOBYBOGRK-ZMZSFTEOSA-N 312.236 1.327 50 40 DDGB NNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F 3269737 HQERNKMYWQEQAX-UHFFFAOYSA-N 303.293 1.447 50 40 DDGB NNC(=O)CCCCCNC(=O)Nc1ccc2c(c1)OCCO2 5254853 NUUCLQRYGZTZSW-UHFFFAOYSA-N 322.365 1.130 50 40 DDGB CCCCCCCS(=O)(=O)CCSS(=O)(=O)O 3158884 FENYSZPNPMUUQA-UHFFFAOYSA-N 304.455 1.908 50 40 DDGB O=C(NNC1=NC[C@H](CBr)S1)c1ccccc1 4851830 SGJLWGOLCZQSFZ-VIFPVBQESA-N 314.208 1.787 50 40 DDGB CCS(=O)(=O)[C@@H](Br)I 110763326 HSPNGVLNLQOPLN-VKHMYHEASA-N 312.954 1.535 50 40 DDGB CCC[C@H]1[C@H]2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N 20000842 WYNSZOSOXLKGEO-GJZGRUSLSA-N 309.373 1.591 50 40 DDGB CC12CN3CN(C1)CC(C)(C3)C2=NNC(=O)Nc1ccccc1 19331070 NRZRIRRUQHCPMK-UHFFFAOYSA-N 313.405 1.779 50 40 DDGB Cc1ccc(S(=O)(=O)N2CC(=O)[C@@H](Br)C2)cc1 95635181 GZHSUXXRBWNDMF-JTQLQIEISA-N 318.192 1.332 50 40 DDGB COc1ccc([C@@H](O)[C@@H](Br)S(C)(=O)=O)cc1 96519063 JAFLBRAQGZVBMP-ZJUUUORDSA-N 309.181 1.494 50 40 DDGB O=C(Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 96025101 HBQLUQSRYYYXMN-SECBINFHSA-N 305.758 1.992 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2cccc(O)c2)cc1OC 281966 GMMWZMCCZGWYKJ-UHFFFAOYSA-N 316.313 1.484 50 40 DDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 59386579 YNERVBXIXGQNQA-MHWRWJLKSA-N 318.333 1.494 50 40 DDGB C/C(=N\NC(=O)C1CC1)[C@H](c1ccccc1)N1CCOCC1 72276931 YKXSFJATTGGLKQ-APVMCDBPSA-N 301.390 1.962 50 40 DDGB CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Nc1onc(C)c12 5796376 LRWZSPGWOCCZKB-UHFFFAOYSA-N 317.349 1.593 50 40 DDGB O=C(N/N=C\c1ccc(N2CCOCC2)o1)c1cccc(O)c1 409020634 RJMLWSHRTAJVSN-BOPFTXTBSA-N 315.329 1.586 50 40 DDGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccco2)cc1 408996344 HREJJVHWXFKGFS-LICLKQGHSA-N 316.313 1.985 50 40 DDGB COC(=O)[C@H](C#N)[C@H](C/C(C)=N/NC(N)=O)c1ccccc1 38796746 RBIZOUCDKRPSKO-MFHCDQJOSA-N 302.334 1.517 50 40 DDGB CS(=O)(=O)[C@H](Br)[C@H](O)c1cccc([N+](=O)[O-])c1 96519016 CSQZUQOSJXSUJZ-BDAKNGLRSA-N 324.152 1.394 50 40 DDGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccccc1O 223682 NDHGRNZUIWBLAW-RQZCQDPDSA-N 314.297 1.620 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccccc2F)n1 5704547 ZBCHKULHWIKDJQ-UHFFFAOYSA-N 304.325 1.029 50 40 DDGB O=C(NNC(=O)c1ccc(F)cc1)Nn1cnc2ccccc21 32779675 ZWGHNVHWCPPOEY-UHFFFAOYSA-N 313.292 1.774 50 40 DDGB Cc1nc(CC(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cs1 102359273 LSURGFCYYASJTM-JBLDHEPKSA-N 324.475 1.678 50 40 DDGB COC(=O)/C(C#N)=C1\SS/C(=C(\C#N)C(=O)OC)S1 6639881 QUYRAKLFSBAJED-VTBWALSUSA-N 314.369 1.931 50 40 DDGB COc1ccc(/C=N/NC(=O)c2[nH]cnc2[N+](=O)[O-])cc1OC 5800144 QDUICCBYOJVCNZ-OMCISZLKSA-N 319.277 1.099 50 40 DDGB N#CC1=C(N)n2ncnc2N[C@H]1c1ccc(Br)cc1 18199260 RVOBRACCYGZJRY-JTQLQIEISA-N 317.150 1.858 50 40 DDGB CC(=N\NC(=O)c1ccco1)/C(C)=N/NC(=O)c1ccco1 5002634 JCHZJKYGQDDFBI-KAVGSWPWSA-N 302.290 1.784 50 40 DDGB O=C(CC(=O)N/N=C/c1ccccc1)NCCc1ccccc1 3057611 IMCAXEGJXHLBDR-XSFVSMFZSA-N 309.369 1.886 50 40 DDGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)NC1CCCC1 59515578 SUWSTXIFTAWMEH-OQLLNIDSSA-N 304.306 1.104 50 40 DDGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)n(C)c(=O)n3C)cc1 4691283 FDVOXMAAQZSHIJ-YBFXNURJSA-N 322.368 1.949 50 40 DDGB CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCC(=O)O)N1 19229973 AJWKBKOLUAZECZ-LBPRGKRZSA-N 319.342 1.279 50 40 DDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccs2)cc1 5513727 DUAPDHTXIMSAFK-LICLKQGHSA-N 317.370 1.523 50 40 DDGB COCCn1c(C)cc(/C=N/NC(=O)c2ccccn2)c1C 40460219 UIBAOKOMTAOCQU-WOJGMQOQSA-N 300.362 1.910 50 40 DDGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1O)c1ccccc1 3147944 IQHABSJKXJOAQD-MBNTZHJCSA-N 311.341 1.720 50 40 DDGB Cc1ccccc1OCC(=O)NNS(=O)(=O)c1ccccc1 4349643 GTLHAAYNVCRHSO-UHFFFAOYSA-N 320.370 1.384 50 40 DDGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN)cc1 12504621 CWCQUNLOPNVHBR-TXEJJXNPSA-N 305.378 1.458 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccn1 3320038 ITXZMJZIGJEXAF-CPNJWEJPSA-N 310.357 1.682 50 40 DDGB O=C(N/N=C/c1ccccc1F)c1ccc(-n2cnnn2)cc1 7699008 XWYBRLWGMMEJRT-RQZCQDPDSA-N 310.292 1.565 50 40 DDGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(N)=O 408764141 RYSVJDQVYAJBHV-RUDMXATFSA-N 309.119 1.767 50 40 DDGB CCOC(=O)C/C(C)=N/NC(=O)CNc1ccc(OCC)cc1 5796789 GKVISFKCYWZIMB-LDADJPATSA-N 321.377 1.943 50 40 DDGB Cc1ccc(SCC(=O)NNC(=O)c2cccnc2O)cc1 12673963 JRTGURQIVZTLKA-UHFFFAOYSA-N 317.370 1.649 50 40 DDGB CCCCS(=O)(=O)NNC(=O)c1ccc(OC)c(OC)c1 2662782 UOENFBLTNJPCMU-UHFFFAOYSA-N 316.379 1.068 50 40 DDGB O=C(CCCO)N/N=C\c1cc(Br)ccc1O 32933741 RDEZHAKSHNTDNP-QPEQYQDCSA-N 301.140 1.377 50 40 DDGB C[C@@H](CCl)OP1(=O)C[C@@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C1 18067720 GWVWTNYIUVYKNF-DXHGTSBASA-N 314.662 1.993 50 40 DDGB O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1ccco1 7284816 FJWHANKTUORONZ-UHFFFAOYSA-N 315.285 1.039 50 40 DDGB COc1ccccc1OCC(=O)NNC(=O)C1CCCCC1 580740 RCCTWHGCQVSNNU-UHFFFAOYSA-N 306.362 1.802 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] 47295787 XYRRVVMEPWRKPM-ZIRAEYPOSA-N 307.350 1.015 50 40 DDGB COc1ccc(N(C[C@H](O)CCl)C[C@H](O)CCl)cc1 1557973 CXKGBZDLIOSLJT-VXGBXAGGSA-N 308.205 1.701 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 107788175 JWNYPDKTSFPSEH-FQUUOJAGSA-N 314.341 1.279 50 40 DDGB NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccccn1 72332482 ZXIBGXGXQSANJX-SILNSSARSA-N 308.297 1.172 50 40 DDGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN)c1 3186066 KBIDWHUXDWCQLE-UHFFFAOYSA-N 321.358 1.100 50 40 DDGB O=C(C[C@H]1CCCO1)NNC(=O)c1cc(Br)c[nH]1 44939530 LDFPGUZVVIGFKZ-MRVPVSSYSA-N 316.155 1.107 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccccc2Cl)nc(C)n1 97110711 VQZHOLCWDCEVIZ-UHFFFAOYSA-N 304.737 1.822 50 40 DDGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cccc(O)c1 409366577 WNCXOKJJNIPHAZ-WOJGMQOQSA-N 312.325 1.856 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)c2cn3ccncc3n2)cc1 43761228 ZKOZFVUUFIJFST-GIJQJNRQSA-N 308.345 1.559 50 40 DDGB C/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 6508029 MZWKPCWOXRQCCB-YBFXNURJSA-N 324.319 1.955 50 40 DDGB Nc1nccnc1C(=O)NNC(=O)c1cc2c(s1)CCCC2 10409592 KUQSOFCCQKBPMW-UHFFFAOYSA-N 317.374 1.074 50 40 DDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(O)cc1 166053 ANAJWBRAIGWIRQ-GFCCVEGCSA-N 310.737 1.802 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 4657079 WLDRPCLOEQRWOQ-OLZOCXBDSA-N 304.346 1.647 50 40 DDGB O=C(CCl)OC[C@@H](COc1ccccc1)OC(=O)CCl 5774654 GRAMUYMFPHDNRJ-LLVKDONJSA-N 321.156 1.998 50 40 DDGB Cc1cc(C(=O)NNC(=O)CCNC(=O)c2ccco2)c(C)o1 7779824 NNXHYXVKPHELQA-UHFFFAOYSA-N 319.317 1.071 50 40 DDGB CCOC(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F 7986260 FNBUQOVJMMGZOB-UHFFFAOYSA-N 312.269 1.645 50 40 DDGB C[C@H](Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 8183821 CZTNZRZGTNFDCB-NSHDSACASA-N 316.810 1.147 50 40 DDGB O=C(COc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 36528703 SRIGJJHEYWKNTF-CXUHLZMHSA-N 315.285 1.830 50 40 DDGB O=C(/C=C1\SC(=O)NC1=O)NNc1nc2ccccc2s1 32594695 FUSJUWLUPRFUSP-YVMONPNESA-N 320.355 1.606 50 40 DDGB Cc1ccc([Si]23O[C@@H](C)CN(C[C@H](C)O2)C[C@H](C)O3)cc1 195754830 RJYZTDRNUSJCCJ-KKUMJFAQSA-N 307.466 1.685 50 40 DDGB CCOC(=O)NNC(=O)c1c(C)c(Cl)cc(OC)c1N 255189712 RORCBQWHJATSFS-UHFFFAOYSA-N 301.730 1.630 50 40 DDGB C[C@H]1C(=O)NN=C1C(=O)NN=C1c2ccccc2-c2ccccc21 100937952 KDGAHUVECHMPNH-SNVBAGLBSA-N 318.336 1.658 50 40 DDGB O=C1NC(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]12 102179546 UBQKDQAIOTYQCR-FSIIMWSLSA-N 310.973 1.196 50 40 DDGB Cn1ncc([N+](=O)[O-])c1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2091682 RDGWGPKADMPAKF-AWNIVKPZSA-N 318.249 1.000 50 40 DDGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 36201111 QVTPDLRVQSBYEL-IGEMTJHASA-N 317.301 1.503 50 40 DDGB NNC(=O)c1cc(OCC(F)(F)F)ncc1Br 725343339 ILYZEJVFONTIFY-UHFFFAOYSA-N 314.061 1.389 50 40 DDGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2cccs2)c1 5823455 HOAQLQRYHJJOSE-UHFFFAOYSA-N 303.343 1.781 50 40 DDGB CNC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1OC 409250600 XLXCOGZDAJRHKS-LCYFTJDESA-N 301.346 1.185 50 40 DDGB C[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)CBr)C1 72207501 QQZSGNQRLQNPLY-WDEREUQCSA-N 317.227 1.631 50 40 DDGB CCOC(=O)/C(C#N)=C(\NNC(=O)c1ccccc1)SC 16681975 CXPBHASKSLSSQJ-ACCUITESSA-N 305.359 1.582 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@@H]2CNCC=C12 48992 UHNPDLQGSMYSLE-CVEARBPZSA-N 301.353 1.700 50 40 DDGB Cc1n[nH]c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 18052670 RXQWFVLFADSNFE-MRXNPFEDSA-N 307.313 1.067 50 40 DDGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(F)c(F)c2)n1 96931777 COAVPQBGJVQFAN-UITAMQMPSA-N 302.288 1.862 50 40 DDGB COc1cc2c(cc1/C=N\NC(=O)c1ccc(O)cc1)OCO2 409064236 CICYOQLNBLEOOY-IUXPMGMMSA-N 314.297 1.893 50 40 DDGB CC1(C)[C@@]2(CBr)OC(=O)[C@]1(C(=O)O)CCC2=O 217628396 WBPZYZHOYHZSOH-MNOVXSKESA-N 305.124 1.137 50 40 DDGB CC(=O)O[C@H]1C=C(C=O)[C@@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 5373310 UKLMEFSRPRDOLD-OTRWWLKZSA-N 308.374 1.820 50 40 DDGB CC1(C)CC(=O)C(=CNNC(=O)c2ccccc2O)C(=O)C1 171572 FVIBRENITRXSHE-UHFFFAOYSA-N 302.330 1.469 50 40 DDGB CCOC(=O)[C@H]1[C@@H]2C[C@H](OC2=O)[C@H](Br)[C@@H]1Cl 100951942 JKKDXLXBGLGRJZ-DMHSOCPYSA-N 311.559 1.482 50 40 DDGB NC(=O)N/N=C1\c2ccccc2-c2c1nc1ccccc1[n+]2[O-] 105347454 KNBOOPCGSKCCFD-CPNJWEJPSA-N 305.297 1.269 50 40 DDGB O=C(NNC(=O)c1cccnc1)NC12CC3CC(CC(C3)C1)C2 4615101 OENLOCSSWXRMCL-UHFFFAOYSA-N 314.389 1.994 50 40 DDGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2ccccc2)[C@@H](C(=O)O)C1 4651734 OVJLHKCBJAJSNA-KBPBESRZSA-N 316.357 1.895 50 40 DDGB C#CCN1C(=O)/C(=N\NC(=O)c2cccs2)c2ccccc21 4724345 MGPDBVYUTOUHFR-VKAVYKQESA-N 309.350 1.862 50 40 DDGB CN1C(=O)/C(=N\NC(=O)c2ccc(/C=N/O)nc2)c2ccccc21 523825 KDKOHVVRGBMVRS-UPVQPNEJSA-N 323.312 1.000 50 40 DDGB CN1C(=O)/C(=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 18265214 HTNBHJVVQWSCSN-SAPNQHFASA-N 324.296 1.705 50 40 DDGB CCc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1 6359212 LWCAILBPWCZPGX-UHFFFAOYSA-N 300.380 1.967 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 104642415 TVWYONXZWYTAJI-XFXZXTDPSA-N 311.297 1.010 50 40 DDGB C/C(=N\NC(=O)c1ccco1)c1ccccc1OCC(N)=O 5517013 MOHRDUNPBASKNQ-LICLKQGHSA-N 301.302 1.298 50 40 DDGB Cc1cc(C(=O)NNC(=O)NNC(=O)c2ccoc2C)c(C)o1 103060671 KDOXSXIUIJPMRE-UHFFFAOYSA-N 320.305 1.087 50 40 DDGB O=C(NNC(=S)NC1CC1)c1ccccc1-n1cccc1 2787921 LFVMLAZFMHDBDI-UHFFFAOYSA-N 300.387 1.749 50 40 DDGB CCOc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1O 3030412 UKHGBIGSXOYPLY-YCPFAOKUSA-N 314.341 1.975 50 40 DDGB CCOc1ccc(C(=O)NNC(=O)c2cccnc2)cc1OC 12692378 DKSKHDYUJZQXEB-UHFFFAOYSA-N 315.329 1.564 50 40 DDGB O=C(NC[C@@H]1CCCO1)NN=C1CCN(C2CCCC2)CC1 64911170 CXQWEYZGNGGQTF-HNNXBMFYSA-N 308.426 1.859 50 40 DDGB CCN(CC)C(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 4699489 ZIUOQGKSQGPMKB-WOJGMQOQSA-N 313.357 1.864 50 40 DDGB COc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1 6653915 XTZILEFNPKJAEN-UHFFFAOYSA-N 318.304 1.674 50 40 DDGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCO2 15902914 HXCWQLQHHNBGLV-NSIKDUERSA-N 303.230 1.680 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1cccc(Cl)c1Cl 19855245 RYYNLUKLKGUNKS-LZYBPNLTSA-N 316.188 1.776 50 40 DDGB O=[N+]([O-])c1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575419918 ARUWEFWHUSTPKG-WDEREUQCSA-N 304.755 1.089 50 40 DDGB COc1cc([N+](=O)[O-])cc(/C=N/N(CCC#N)C(C)=O)c1O 2102642 WXJISKHBDGYLTL-OVCLIPMQSA-N 306.278 1.405 50 40 DDGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)o1 4545170 LYGSPOPLQRYACL-GIDUJCDVSA-N 317.257 1.989 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc1 9219869 HNBXIMGFDHEQAE-UHFFFAOYSA-N 310.313 1.646 50 40 DDGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1ccccc1Cl 408934905 DIJUQHWHXXHGQV-QGMBQPNBSA-N 318.764 1.683 50 40 DDGB COc1ccc([C@@H](O)[C@H](Br)S(C)(=O)=O)cc1 96519061 JAFLBRAQGZVBMP-NXEZZACHSA-N 309.181 1.494 50 40 DDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(SC)cc1 5720037 XWHJTTNKCSAUAD-MHWRWJLKSA-N 309.391 1.011 50 40 DDGB Cc1nnc(NNC(=O)c2ccc(C(C)(C)C)cc2)nc1O 11548038 DTEKUTIGNALXDT-UHFFFAOYSA-N 301.350 1.940 50 40 DDGB COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cn2)c1O 506837 MKWSTWVYGPXAAJ-FRKPEAEDSA-N 316.273 1.468 50 40 DDGB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)C(C)C)c1 21903792 ZMNQLPXORHIYCD-UHFFFAOYSA-N 320.349 1.020 50 40 DDGB CS(=O)(=O)Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1 5676545 FTGJBCWIHMILPC-MHWRWJLKSA-N 319.342 1.184 50 40 DDGB CCNC(=S)NNC(=O)c1ccc(-n2nc(C)cc2C)cc1 2655568 WYFYQGWHUSPOES-UHFFFAOYSA-N 317.418 1.618 50 40 DDGB COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cccc(OC)c1 57509193 SPDAEVQXDZXKHF-GFCCVEGCSA-N 310.737 1.715 50 40 DDGB C[C@@]12CC[C@H](C(=O)OC1=O)[C@@]2(C)CI 100319130 CLQHFGNWUFISQU-BDODKLCJSA-N 308.115 1.927 50 40 DDGB CCCOc1ccc(/C=C(\C#N)C(=O)NC(N)=O)cc1OCC 6790174 JJZTYWBMIJLGEQ-XYOKQWHBSA-N 317.345 1.976 50 40 DDGB CN(c1ccc(C(=O)N/N=C/c2ccco2)cc1)S(C)(=O)=O 409114990 GFTNDGAAAUNVGK-XNTDXEJSSA-N 321.358 1.439 50 40 DDGB Cc1nc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)sc1C 575424233 TZXBEPGWCFJVKR-SFYZADRCSA-N 323.827 1.286 50 40 DDGB C/C(=N\NC(=O)C[n+]1ccccc1)[C@@H]1CCC[C@@H]([N+](=O)[O-])C1 5370124 VKOJQAUMZYWQPG-WLGVDNMXSA-O 305.358 1.302 50 40 DDGB C[C@H](NC(=S)NNC(=O)c1ccnn1C)c1ccccc1 2795581 CKKOUOFTIBAMQB-JTQLQIEISA-N 303.391 1.290 50 40 DDGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cnsn1 47817122 ZPHZVQFLZLDPDL-UHFFFAOYSA-N 322.415 1.943 50 40 DDGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)C1CC1 112109268 XUZQBFDULQIDOT-ZROIWOOFSA-N 316.336 1.853 50 40 DDGB O=C(Cc1ccccc1)NNC(=O)c1cc(=O)[nH]c2ccccc12 12911048 BPZVAWQLZOKOLF-UHFFFAOYSA-N 321.336 1.532 50 40 DDGB O=C(N/N=C/c1cccc(S(=O)(=O)O)c1)c1ccncc1 1562182 PNWDBDXZYGISDO-OQLLNIDSSA-N 305.315 1.092 50 40 DDGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 4412274 QPRDKKXFWQCWNJ-GDXCHIGESA-N 317.389 1.555 50 40 DDGB O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1ccccc1 6603010 PKHMXPJAWQCJIW-VQHVLOKHSA-N 310.309 1.890 50 40 DDGB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CCCl)cc21 408531611 OQLRNGPYOLZFIA-UHFFFAOYSA-N 312.713 1.353 50 40 DDGB CC(C)CCCOC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167670 YIHRRLQSGNQXDL-ZJUUUORDSA-N 313.872 1.718 50 40 DDGB Cn1cc(Br)c(C(=O)N/N=C/c2cccc(O)c2)n1 5730935 BMYFZHOREUBRQT-MKMNVTDBSA-N 323.150 1.652 50 40 DDGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc([N+](=O)[O-])c1O 16438180 DOLFIBJQQOIXNE-IZZDOVSWSA-N 317.301 1.838 50 40 DDGB CCCc1noc(CCC(=O)NNC(=O)c2ccccc2O)n1 23082728 UASWPJFKEGLFRC-UHFFFAOYSA-N 318.333 1.122 50 40 DDGB COc1cccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1 103722059 QFQNNTWCWOVDLW-OBGWFSINSA-N 309.325 1.806 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)C1CC1 47908264 ZPKYBOKOUDYHAC-ZDUSSCGKSA-N 307.394 1.115 50 40 DDGB C[C@@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CS(=O)(=O)O 100020547 MFEDKMBNKNOUPA-BKFJMODKSA-N 311.197 1.643 50 40 DDGB CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)C(=O)/C2=N/NC(=O)c1ccco1 101331965 RXGOJSWRTDCFNS-MWBWVTEGSA-N 318.329 1.845 50 40 DDGB O=C(N/N=C/c1cncc2c(Cl)n[nH]c12)c1cccnc1 32616852 SOAHHXOVKWBQSE-UBKPWBPPSA-N 300.709 1.770 50 40 DDGB Cc1cccc(NC(=S)NNC(=O)Cn2ccc(C)n2)c1 373573 IWYLPWGIGBGWCU-UHFFFAOYSA-N 303.391 1.518 50 40 DDGB COCC1=C(C(=O)OC)[C@@H](c2ccccc2F)C(C#N)=C(N)O1 4189083 GPVRVYYPEHBVLE-ZDUSSCGKSA-N 318.304 1.707 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)Nc1ccccc1 4522560 ORQOZKVDQYLLTO-NEPJUHHUSA-N 305.334 1.730 50 40 DDGB COc1ccc(C(=O)NNC(=O)COc2ccccc2)cc1 142749 ZUOMTNOUMSHDOH-UHFFFAOYSA-N 300.314 1.535 50 40 DDGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)c2ccccc2)cc1 296115 DHSXLVOCGAPLFT-UHFFFAOYSA-N 319.386 1.180 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cncc(Br)c1 104515034 HSVDRFPJBDBXKU-YFHOEESVSA-N 324.134 1.326 50 40 DDGB COc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1C(=O)O 59484962 OLHZZDQDCJHKOU-RQZCQDPDSA-N 314.297 1.863 50 40 DDGB CC(C)(C)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 20243952 ZRUZJRICMLLPFQ-LDADJPATSA-N 303.406 1.766 50 40 DDGB N=C(CSS(=O)(=O)O)NCCCCOc1ccccc1 31343336 GKOYNKLWWVOIMC-UHFFFAOYSA-N 318.420 1.948 50 40 DDGB COc1ccc(CC(=O)N/N=C/c2ccc(O)c(O)c2)cc1 6127810 ZCRWIIFFGMHRBD-LICLKQGHSA-N 300.314 1.799 50 40 DDGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccccc1O 5583399 GLGHEGJAHNCZGL-GZTJUZNOSA-N 303.362 1.681 50 40 DDGB COc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 289982 AUKNEJNMYFXRPE-UHFFFAOYSA-N 315.285 1.678 50 40 DDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 492489 ZEBSDGZJJZOEMY-CQSZACIVSA-N 300.314 1.950 50 40 DDGB CCOc1ccc(F)c(C(=O)NNC(=O)c2ccccn2)c1F 95444743 WQPVVYNJBFLEBH-UHFFFAOYSA-N 321.283 1.833 50 40 DDGB N#Cc1ccc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)cc1 5517474 IHBLYGNUKAPLGG-UHFFFAOYSA-N 319.324 1.134 50 40 DDGB Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cccnc2)c1 40497208 WTTBBVZIMXKTOW-UHFFFAOYSA-N 313.357 1.929 50 40 DDGB N#C/C(=C/c1ccc(SCCO)c([N+](=O)[O-])c1)C(N)=S 6453075 SIPMQIJLHQALJA-UITAMQMPSA-N 309.372 1.872 50 40 DDGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cnccn1 24473615 JPJDPYVBBGGARH-UHFFFAOYSA-N 316.386 1.882 50 40 DDGB O=C(OCCCl)[C@H]1[C@H](C(=O)OCCCl)[C@H]2CC[C@H]1O2 104162325 LBVBNTTWZJWVLB-ZYUZMQFOSA-N 311.161 1.344 50 40 DDGB Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2)cc1 2133401 FMEMNCREVJAVHG-UHFFFAOYSA-N 313.382 1.944 50 40 DDGB N#C/C(=C\c1ccc(F)cc1F)c1nn(CCO)c(N)c1C#N 59596969 APEPJCRBUYBCOB-BJMVGYQFSA-N 315.283 1.672 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(OC)c1O 3575150 GJSSTHCYCSXISJ-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(Cl)c1 8219861 RXJPZJJRVDXKJJ-CAOOACKPSA-N 305.721 1.700 50 40 DDGB N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1cccc(Cl)c1 189614 LIOTXOOJRWGJPH-SNVBAGLBSA-N 321.789 1.897 50 40 DDGB CCc1nc([C@H](C)NCC(=O)NNC(=O)c2ccco2)cs1 97112253 FOUBSNRIRZITKY-VIFPVBQESA-N 322.390 1.410 50 40 DDGB Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@@H]2c2ccc(O)cc2)n1 17218974 ZOWILBISMAMGLH-WCQYABFASA-N 320.736 1.302 50 40 DDGB O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1cccc(Cl)c1 2784307 PTBDTUCFUPUOGZ-NWDGAFQWSA-N 322.748 1.768 50 40 DDGB O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)C1CC1 15794464 MTXIWHGIBMZPIW-UHFFFAOYSA-N 309.753 1.017 50 40 DDGB CC(C)CCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167664 YIHRRLQSGNQXDL-VHSXEESVSA-N 313.872 1.718 50 40 DDGB O=C1[C@@H]2[C@H]3C[C@@H]4[C@H]5[C@@H]3[C@H]1[C@](F)([C@@H]5I)[C@H]42 102946465 RUJMCBCIMWTKLD-YUSYMODVSA-N 304.102 1.839 50 40 DDGB N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)C(N)=O 35363277 LJYLWIZPMAYMEF-UVTDQMKNSA-N 308.341 1.464 50 40 DDGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCN)[C@H](Br)C2=O 103697683 WVTMNZFGZQVCEF-BZHVJNSISA-N 317.227 1.220 50 40 DDGB CC(=O)N[C@H](C(=O)N/N=c1\sc2ccccc2n1C)C(C)C 30679999 HDTDHAILCAMFEC-VLFBTDHHSA-N 320.418 1.332 50 40 DDGB CCS(=O)(=O)[C@H](I)[C@H](O)C(C)(C)C 96519296 ZGZNKALQWQOLOM-BQBZGAKWSA-N 320.192 1.589 50 40 DDGB O=C(NNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccncc1 15273598 PFKSHAWEWJXFCM-UHFFFAOYSA-N 324.340 1.283 50 40 DDGB CC(=O)c1cccc(NC(=S)NNC(=O)c2ccncc2)c1 621426 JUVHAXNGJNUSCG-UHFFFAOYSA-N 314.370 1.916 50 40 DDGB NNC(=O)N/N=C(\CBr)c1ccc(Cl)cc1 4921137 MUMCFMNBWBWATJ-RIYZIHGNSA-N 305.563 1.612 50 40 DDGB O=C(NNC(=O)c1cnns1)c1cccc(C(F)(F)F)c1 95950622 KBNYPHWXMUFPKM-UHFFFAOYSA-N 316.264 1.632 50 40 DDGB CN(C)c1cccc(OCC(=O)N/N=C\c2cccn2C)c1 409094610 DUIKBFCDQWKFMO-BOPFTXTBSA-N 300.362 1.620 50 40 DDGB CCN(CC)c1cc2c(cc1NC(=O)CCl)n(C)c(=O)n2C 408527257 DCIQJNMBVGGJKR-UHFFFAOYSA-N 324.812 1.901 50 40 DDGB COc1cccc2sc(NNC(=O)C3=COCCO3)nc12 246125 GJTYXEZPPJAWEB-UHFFFAOYSA-N 307.331 1.636 50 40 DDGB CCOC(=O)NNC(=O)c1cccc(Nc2ncccn2)c1 30578880 JDVIMCNGANAHFW-UHFFFAOYSA-N 301.306 1.611 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 107788179 JWNYPDKTSFPSEH-XUXIUFHCSA-N 314.341 1.279 50 40 DDGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1O 95938447 MQOPAZCGNSWGJQ-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccco2)cc1 6030145 BZDHWQGHWPKSQN-CMDGGOBGSA-N 300.314 1.828 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1 26972871 VETXMLVQAZETHQ-CYBMUJFWSA-N 302.286 1.189 50 40 DDGB O=C(Cc1ccccc1)NNC(=S)NC(=O)c1ccco1 5682281 MVYMFPNKRNEPAX-UHFFFAOYSA-N 303.343 1.158 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409380915 JWNYPDKTSFPSEH-XDQVBPFNSA-N 314.341 1.279 50 40 DDGB NC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 447651 GGTJTPHRGQWAPN-FRKPEAEDSA-N 301.262 1.784 50 40 DDGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)c([N+](=O)[O-])cc1OC 7164115 WAPURFFYHPRJJQ-BJMVGYQFSA-N 317.301 1.798 50 40 DDGB CCc1nnsc1C(=O)NNC(=O)Cc1ccc(F)cc1 28633474 XCBNTKYTEXAZHW-UHFFFAOYSA-N 308.338 1.243 50 40 DDGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@@H]2CNCC=C12 26743693 OQFZNBNDGIPUEI-ZBFHGGJFSA-N 319.343 1.839 50 40 DDGB Cc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1[N+](=O)[O-] 408727160 VAMAXAKLWPBAEU-OQLLNIDSSA-N 307.306 1.506 50 40 DDGB NC(=S)N/N=C\c1ccc(N(CCF)CCCl)cc1 35128793 RYCJVAFPYAWTRR-SXGWCWSVSA-N 302.806 1.868 50 40 DDGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(O)cc1O 13953985 IEKLSWOPLGEWNA-ZXMBATIKSA-N 300.314 1.672 50 40 DDGB COc1cc(/C=N/NC(=O)c2nc(C)cc(C)n2)ccc1O 494052 ZCUPDEBIABQIIH-LZYBPNLTSA-N 300.318 1.572 50 40 DDGB CN(CN(C)NC(=O)c1ccccc1)NC(=O)c1ccccc1 1703375 FWWGJSFHMJFECE-UHFFFAOYSA-N 312.373 1.498 50 40 DDGB NNC(=O)c1nc(NN)cc(NCc2ccccc2)c1Cl 24252356 NZJUIRZIWJLAEA-UHFFFAOYSA-N 306.757 1.236 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)c(OC)c1 59515574 LVEFXQHADHKJNT-LICLKQGHSA-N 319.361 1.213 50 40 DDGB COc1ccc(NC(=S)NNC(=O)c2cccnc2)cc1 42083104 SJKXCSIIWCQYIB-UHFFFAOYSA-N 302.359 1.722 50 40 DDGB C=C(C)CNC(=S)NNC(=O)Cc1ccc(OC)c(OC)c1 5725951 QYIOUNASDHGKFS-UHFFFAOYSA-N 323.418 1.318 50 40 DDGB COCc1[nH]nc2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 5042857 IJAAIKDWXHIRCZ-GFCCVEGCSA-N 300.293 1.913 50 40 DDGB CC/C(CC(=O)C(F)(F)F)=N\NC(=O)/C(C#N)=C/N(C)C 100919657 QXMRAJVGEYADSR-ITDUAQOSSA-N 304.272 1.359 50 40 DDGB O=C(CCc1cccnc1)NNC(=O)Cc1c[nH]c2ccccc12 21969654 KRFIALFIUITDHG-UHFFFAOYSA-N 322.368 1.886 50 40 DDGB COc1ccc(N(C[C@H](O)CCl)C[C@@H](O)CCl)cc1 1557974 CXKGBZDLIOSLJT-TXEJJXNPSA-N 308.205 1.701 50 40 DDGB O=C(CCl)Nc1ccc(C(=O)O)cc1NC(=O)CCl 101521489 QOXRNIMRPMFFRP-UHFFFAOYSA-N 305.117 1.739 50 40 DDGB CCCc1[nH]nc2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 5634055 YXQOGEZGFNDDJP-KRWDZBQOSA-N 321.340 1.687 50 40 DDGB CN(C)c1ccc(/C=N\NC(=O)C(=O)NCc2ccco2)cc1 31769073 YGZDUIPRWHZLPN-ZDLGFXPLSA-N 314.345 1.112 50 40 DDGB Cc1ccc2c(c1)/C(=N/NC(=O)C(C)C)C(=O)N2C1CSC1 223722391 BKCXTJVMQNBKMB-VKAVYKQESA-N 317.414 1.933 50 40 DDGB NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1ccncc1 12360293 OXORPMPLPMXZQH-CAPFRKAQSA-N 308.297 1.172 50 40 DDGB CC(C)Oc1ccc(/C=N/NC(=O)CC2(C)OCCO2)c(O)c1 408587016 DNVVYWFHHKZYLB-LICLKQGHSA-N 322.361 1.783 50 40 DDGB COC(=O)/C(C#N)=C1/SCC/C(=C(/C#N)C(=O)OC)S1 299888308 DUDBFQYYUQDHJL-FRQRXSQCSA-N 310.356 1.715 50 40 DDGB COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 47297 MTFRPHWUSIGJGN-VHWUNXFSSA-N 312.325 1.985 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(/C=N/O)nc1 532241 RWBOODDUWDKMJR-GDWCLCACSA-N 300.274 1.065 50 40 DDGB CC1=C(C#N)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N1 14165588 STOHVQJOTDNANC-NSHDSACASA-N 300.274 1.467 50 40 DDGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccncc1 138192 NYXBWHGAFXNOTL-UHFFFAOYSA-N 309.281 1.263 50 40 DDGB Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1 21632720 MZQQQDLFFIOISJ-UHFFFAOYSA-N 313.766 1.302 50 40 DDGB Cn1c(=O)n(CCCCCl)c(=O)c2c1nc1n2CCS1 13757332 WCJRCJOFVNGVLI-UHFFFAOYSA-N 314.798 1.021 50 40 DDGB O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@H]1c1ccccc1F 81025275 QBEKUIXZYNSTMF-KBPBESRZSA-N 313.332 1.714 50 40 DDGB COc1ccc(OCC(=O)NNCc2ccccc2O)cc1 206798 XPOVQGMXIPHTBZ-UHFFFAOYSA-N 302.330 1.601 50 40 DDGB CCNC(=O)NNC(=O)c1ccc(N2CCCCCC2)nc1 65189982 WSGUIFXYWYILOK-UHFFFAOYSA-N 305.382 1.426 50 40 DDGB O=C(CNC(=O)c1ccccc1F)NNC(=O)c1cccs1 8357351 VTBACCTYBWCVKL-UHFFFAOYSA-N 321.333 1.078 50 40 DDGB O=C(Cc1ccncc1)NNC(=O)C1(c2cccc(F)c2)CC1 81024383 BVGMBFGNUQMEFZ-UHFFFAOYSA-N 313.332 1.642 50 40 DDGB NNC(=O)COc1ccccc1Cn1cnc(Cl)c1Cl 161168 JNFSMKXAVKOGQT-UHFFFAOYSA-N 315.160 1.607 50 40 DDGB C[N+]1(C)C[C@]2([N+](=O)[O-])CC=C(OCCCl)[C@]([N+](=O)[O-])(C2)C1 100128806 JUKZVCDEHMYQLF-RYUDHWBXSA-N 320.753 1.041 50 40 DDGB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCl 3887574 ZWSWUMFXULIUDT-UHFFFAOYSA-N 306.771 1.123 50 40 DDGB O=C(CCCc1ccccc1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9420973 WIWKTDKPWGOLHW-STQMWFEESA-N 315.822 1.530 50 40 DDGB CC(C)=NNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 19954342 JCBLTTHUKYKHBW-UHFFFAOYSA-N 317.798 1.618 50 40 DDGB OB(O)c1cc(C(F)(F)F)c(Br)cc1Cl 169995293 SGGXNNDOQRLDIX-UHFFFAOYSA-N 303.270 1.801 50 40 DDGB N#CCc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1 2428574 OQODBDJAQNFFBL-LICLKQGHSA-N 312.354 1.903 50 40 DDGB CC1=C(C#N)[C@](NC(=O)c2ccccc2)(C(F)(F)F)C(=O)N1 6050402 WRJQCDFVWDJZAR-CYBMUJFWSA-N 309.247 1.645 50 40 DDGB CCOC(=O)/C(C#N)=C/Nc1cccc(N2CCNC2=O)c1 102140314 MCKWQTOSOGGTCT-ZHACJKMWSA-N 300.318 1.599 50 40 DDGB O=S(=O)(CBr)NCC[C@H](O)c1cccs1 77114574 SXDXJUYHRUDPRU-ZETCQYMHSA-N 314.226 1.443 50 40 DDGB Cc1cccc(OCCC(=O)NNC(=O)Cc2cccn2C)c1 3299861 CFOIARGOEXAVPK-UHFFFAOYSA-N 315.373 1.493 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 59515488 HOSMLEMUVFPDAN-QGOAFFKASA-N 315.373 1.714 50 40 DDGB Cc1ccc(C(=O)C[C@@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)cc1 4816121 ODPRSEAMWUHPLN-GOSISDBHSA-N 318.336 1.927 50 40 DDGB CCCCC[C@]1(O)CCN(C(=O)/C(C#N)=C/C(C)C)C[C@@H]1O 585290554 YCSWQPCYPMBEPK-OHZIQAAMSA-N 308.422 1.997 50 40 DDGB BrCCN1CCN(CCBr)CC1 19365161 VNTGRYDBKWERBU-UHFFFAOYSA-N 300.038 1.394 50 40 DDGB Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1ccco1 5967374 BVJHEFYYJRXYFV-UHFFFAOYSA-N 308.315 1.268 50 40 DDGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c1 2223718 DCFIJKJHTWVDTP-HNNXBMFYSA-N 323.352 1.921 50 40 DDGB COC(=O)C1CCN(/C=C(\C#N)C(=O)NCc2ccco2)CC1 32032392 OCEWIDYHZCJAGL-ACCUITESSA-N 317.345 1.188 50 40 DDGB NC(=O)NN=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 245228330 QHVJKNBOIXOABD-UHFFFAOYSA-N 309.303 1.196 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc2ccccc2oc1=O 104611784 BCMDVUISUWQYPY-XFXZXTDPSA-N 312.281 1.275 50 40 DDGB CCOC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1 12991849 DYXCCSDTJKGDRP-UHFFFAOYSA-N 300.380 1.924 50 40 DDGB O=C(NNC(=O)c1ccco1)c1ccc(Br)nc1 76093431 LJOHBECIANKFBL-UHFFFAOYSA-N 310.107 1.512 50 40 DDGB COc1ccc(Nc2nc(CC(=O)NN)cs2)c(OC)c1 223451389 KTFYJPNZRGZATK-UHFFFAOYSA-N 308.363 1.436 50 40 DDGB O=C1OC(=O)C2=C1CC1=C(CC3=C(C1)CC1=C(C3)C(=O)OC1=O)C2 68568687 NQKFPQHHVLLTFG-UHFFFAOYSA-N 324.288 1.721 50 40 DDGB O=C(O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1 4680367 DMFPDYWWPMYPGB-UHFFFAOYSA-N 309.709 1.447 50 40 DDGB O=C1Nc2ccc(F)cc2/C1=N/NC(=O)[C@@H](O)c1ccccc1 17052339 KONXQRVAWHQDAM-AWEZNQCLSA-N 313.288 1.332 50 40 DDGB O=C(CCl)N(c1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 40177644 CEYZYXHWDOYVCO-SNVBAGLBSA-N 303.767 1.151 50 40 DDGB CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)NN 2560790 OFQLPRSPFCCGLP-LBPRGKRZSA-N 309.366 1.086 50 40 DDGB C/C(=N\NC(N)=S)c1ccc(NC(=O)C(Cl)Cl)cc1 4962658 UPMWRQOYJSLPFW-OMCISZLKSA-N 319.217 1.986 50 40 DDGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1 3061784 KAHZUGXNISFBQI-CIAFOILYSA-N 324.384 1.972 50 40 DDGB COc1cccc(CC(=O)NNC(=O)c2ccccc2O)c1 9113722 ZXLRDKKTTWRMCR-UHFFFAOYSA-N 300.314 1.405 50 40 DDGB O=C(N/N=C/c1cccc2ncccc12)c1nc[nH]c1[N+](=O)[O-] 5813572 LLJRNJICQUIKRV-CNHKJKLMSA-N 310.273 1.630 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(O)c1 409392017 MWVUKZQVHRNIIC-VGOFMYFVSA-N 305.246 1.666 50 40 DDGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc(O)cc1 72336388 KLPMPPSIDXYJHK-NFUNWIPISA-N 323.352 1.372 50 40 DDGB COc1ccc([C@H](O)[C@@H](Br)S(C)(=O)=O)cc1 96519062 JAFLBRAQGZVBMP-UWVGGRQHSA-N 309.181 1.494 50 40 DDGB O=C(NNc1ccc(Br)cc1)c1ccc(=O)[nH]c1 48425779 OARNYRFIXTWTFK-UHFFFAOYSA-N 308.135 1.894 50 40 DDGB COc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)ccc1O 11297763 HLCOWTKFAVIFQB-UXBLZVDNSA-N 312.333 1.298 50 40 DDGB O=C(COc1ccc(Br)cc1)NNC(=S)S 26475781 QGBXNWKQGXHSQB-UHFFFAOYSA-N 321.221 1.663 50 40 DDGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1O 36184122 ZTWLXTGAWXZVTR-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB O=C(NN=C1CCCCCCC1)N[C@H]1CCS(=O)(=O)C1 63421733 MYOFKXWVMASQEY-LBPRGKRZSA-N 301.412 1.573 50 40 DDGB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1cccnc1 14287128 AKQNQTCOHSGXAI-YGRLFVJLSA-N 313.313 1.071 50 40 DDGB CCOC(=O)NNC(=O)c1ccc(Br)cc1N 188383901 MYROFARZOVXZAG-UHFFFAOYSA-N 302.128 1.422 50 40 DDGB N#C/C(=C/C=C(/c1ccc(Cl)cc1)N1CCOCC1)C(N)=O 2388784 YROJUOWDUORLDE-BATOYEOOSA-N 317.776 1.948 50 40 DDGB O=C(CN1CCc2sccc2C1)NNC(=O)c1ccccc1 54670425 ZRGUSXRGWBWEFH-UHFFFAOYSA-N 315.398 1.567 50 40 DDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 8995658 XXQWUCAXZIAJPE-LLVKDONJSA-N 302.355 1.931 50 40 DDGB N#Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 5862079 HLNGTIVFSGLARV-RQZCQDPDSA-N 310.269 1.936 50 40 DDGB Cc1ccc(C(=O)N2C[C@@H](C(=O)NN)Oc3ccccc32)cc1 225329695 LZOGARLPCIPCSR-HNNXBMFYSA-N 311.341 1.393 50 40 DDGB CCOC(=O)CC(=O)NNC(=O)Nc1ccc(F)c(Cl)c1 223296839 OZAQXPVLSTZTKZ-UHFFFAOYSA-N 317.704 1.585 50 40 DDGB Cc1cc(C(=O)NNC(=O)Nc2ccccc2)nc(Cl)n1 2559295 JCDSHURPWKQQAM-UHFFFAOYSA-N 305.725 1.905 50 40 DDGB CS(=O)(=O)[C@@H](I)C(=O)c1ccccc1 34658488 DHRFCHMJJQVQEH-SECBINFHSA-N 324.139 1.675 50 40 DDGB CN(NC(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21 337891 AJDJFWFYAFPYBY-UHFFFAOYSA-N 315.354 1.412 50 40 DDGB O=C(CN1CCCCC1=O)NNC(=O)c1cc2c(s1)CCC2 44934161 XFZMKHYWQRLRMS-UHFFFAOYSA-N 321.402 1.010 50 40 DDGB CCN(CC)c1ccc(/C=N\NC(=O)c2cnccn2)c(O)c1 13895113 QWJBFGPPKJGMIU-GRSHGNNSSA-N 313.361 1.792 50 40 DDGB COc1ccc(CC(=O)N/N=C/c2cccn2C)cc1OC 4735436 GCYZOCQTCMGCPI-GZTJUZNOSA-N 301.346 1.735 50 40 DDGB CN(C)c1cccc(OCC(=O)NNC(=S)NC(C)(C)C)c1 408585866 KDKWQWRSYCFGBS-UHFFFAOYSA-N 324.450 1.425 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1OC 41359 PAFJOWOFKZORSY-OVCLIPMQSA-N 319.273 1.969 50 40 DDGB CC1(C)[C@@]2(C)CC[C@]1(C(=O)O)/C(=N\NC(=O)c1ccco1)C2=O 5269365 RXGOJSWRTDCFNS-LEADFKJNSA-N 318.329 1.845 50 40 DDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(O)cc1 166050 ANAJWBRAIGWIRQ-LBPRGKRZSA-N 310.737 1.802 50 40 DDGB O=C(NNC(=O)c1ccc(Br)o1)c1ccncc1 569126 BQQJKWPSTQNIAI-UHFFFAOYSA-N 310.107 1.512 50 40 DDGB COC(=O)[C@H]1C[C@H](Cl)CN1S(=O)(=O)c1ccc(C)cc1 2557503 QKXMIDXDXYNUCI-CMPLNLGQSA-N 317.794 1.538 50 40 DDGB CCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 13123133 ZMPWDQUOQNEZQD-ORMOWBNMSA-N 323.352 1.607 50 40 DDGB CCc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1 6652240 LBMTXNNRZKOYLR-WOJGMQOQSA-N 320.356 1.989 50 40 DDGB COc1cc(C(=O)NNC(=O)CC(C)(C)C)cc(OC)c1OC 31488249 SRWNTSUHUPEXDJ-UHFFFAOYSA-N 324.377 1.910 50 40 DDGB Cc1cc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)n[nH]1 252509237 YHLDWYHBJCKJEG-PJQLUOCWSA-N 300.244 1.241 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)N2CCCCC2)c1 5357910 ZAVHOFCHLVAATE-GZTJUZNOSA-N 319.361 1.166 50 40 DDGB C/C(=N\NC(=O)C[n+]1ccccc1)[C@@H]1CCC[C@H]([N+](=O)[O-])C1 5370122 VKOJQAUMZYWQPG-XJRDAQMOSA-O 305.358 1.302 50 40 DDGB C/C(=N\NC(=O)c1ccco1)c1ccc(S(N)(=O)=O)cc1 20933247 QEYUWOXBRRGFNT-OQLLNIDSSA-N 307.331 1.081 50 40 DDGB C[C@@]1([N+](=O)[O-])CP(=O)(OCCCl)C[C@@]1(C)[N+](=O)[O-] 3173267 KGOQRHTVAHATBZ-HTQZYQBOSA-N 300.635 1.604 50 40 DDGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)NCc1ccncc1 59459508 VWBXKDLLTFTPMI-STZFKDTASA-N 324.384 1.823 50 40 DDGB N=C(N)N/N=C\c1ccc(N(CCCl)CCCl)cc1 104392446 NJQADOSDGRSLRB-MFOYZWKCSA-N 302.209 1.788 50 40 DDGB O=C(CC1(C(=O)O)CCCC1)NNC(=O)c1ccccc1F 13250921 PGSNNERQAPQECS-UHFFFAOYSA-N 308.309 1.622 50 40 DDGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)N1CCOCC1 59138370 WHWCXRMKLJLQCV-QBFSEMIESA-N 301.346 1.646 50 40 DDGB CC[C@H](NNC(=O)c1ccccc1)C(=O)Nc1cc(C)on1 14022673 SCJLKANEPAJUED-LBPRGKRZSA-N 302.334 1.635 50 40 DDGB Cc1ccccc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O 19954726 CCTMOPCLCWUIHM-UHFFFAOYSA-N 323.418 1.807 50 40 DDGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1Cl 3009200 FUUCXYURUGCAFM-CAOOACKPSA-N 305.721 1.700 50 40 DDGB CC(C)(C)OC(=O)Nc1nc2c(B(O)O)ccc(F)c2s1 1857776147 ZQDPDWALEXQWLI-UHFFFAOYSA-N 312.131 1.462 50 40 DDGB CCC(=O)NC(=S)NNC(=O)c1cccc2ccccc12 2690717 JLUMYZPHGHXBOB-UHFFFAOYSA-N 301.371 1.885 50 40 DDGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)[C@H]1CC12CCC2 4188180 AZNRWTSBJLOQID-SNVBAGLBSA-N 314.301 1.557 50 40 DDGB Cc1cccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 6648257 MBRSFWHWHYPTRZ-UHFFFAOYSA-N 322.324 1.306 50 40 DDGB COc1ccc(OC)c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 247346 DCFSQBOSYWIPML-NRUITVPNSA-N 316.357 1.906 50 40 DDGB COc1cc(/C(C)=N\NC(=O)Cc2c(O)n[nH]c2C)ccc1O 13583100 POXJATRQGWSYJM-PXNMLYILSA-N 318.333 1.221 50 40 DDGB IC[C@@H]1CN=C(Nc2ncccn2)S1 27887 VMTMLQWUPRZGDP-ZCFIWIBFSA-N 320.159 1.795 50 40 DDGB C[C@H](Br)[C@H](Br)C(=O)N1CCOCC1 1690348 ARPDEGNOVJFRQA-BQBZGAKWSA-N 315.005 1.392 50 40 DDGB CNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 103178803 GRBFFHTYMNSFCY-GISOBZBCSA-N 324.240 1.304 50 40 DDGB O=C(NNC(=S)NCc1cccs1)c1cccc(O)c1 57781458 AKSWQIMTKCVMRI-UHFFFAOYSA-N 307.400 1.763 50 40 DDGB Cc1ccc(OCC(=O)N/N=C/c2cccnc2)c([N+](=O)[O-])c1 238145 PKLJFXAZQKRJHQ-RQZCQDPDSA-N 314.301 1.827 50 40 DDGB O=C(CCCO)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 5390768 QHCUJVCTJRLMFN-LFIBNONCSA-N 320.349 1.418 50 40 DDGB COC(=O)c1n[nH]c2c1[C@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 548283 VLCBNPUYYDZJDY-PSASIEDQSA-N 300.318 1.722 50 40 DDGB CC(C)C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1 16097508 CCGQCZCHLFJZJV-UHFFFAOYSA-N 310.297 1.671 50 40 DDGB Cc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1 225500121 FNSNPIQEDQKQBT-UHFFFAOYSA-N 319.386 1.708 50 40 DDGB O=[N+]([O-])c1ccc(S(=O)(=O)OCCBr)cc1 221300712 JEQQPTIHJJSCGX-UHFFFAOYSA-N 310.125 1.695 50 40 DDGB CCOC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1 17257407 PPBQKVQLZRAEOX-UHFFFAOYSA-N 317.301 1.923 50 40 DDGB COc1ccc2cc(C(=O)NNC(=O)c3ccccn3)[nH]c2c1 40494371 NRQIMUPNPRSWPW-UHFFFAOYSA-N 310.313 1.646 50 40 DDGB O=C(CCNC(=O)c1ccccc1)N/N=C/c1ccc(O)cc1 1956193 KHTSIUAYJCIRBH-XDHOZWIPSA-N 311.341 1.662 50 40 DDGB COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCOCC2)cc1 5489434 WFLALZYCKRMLFE-SDNWHVSQSA-N 308.359 1.166 50 40 DDGB O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccn1 15461100 ISZOTYBGIKUBRV-HNNXBMFYSA-N 310.357 1.336 50 40 DDGB O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc2c(c1)OCO2 100559166 CFXOLSMGOYKXFD-UHFFFAOYSA-N 309.281 1.502 50 40 DDGB NC(=S)N/N=C1\[C@H]2[C@@H]3C[C@@H]4[C@H]2[C@@H]2[C@@H]1[C@@H]3[C@@H]4[C@@H]2Br 102972784 WDKGDSOBYBOGRK-JKNXKJPQSA-N 312.236 1.327 50 40 DDGB COc1cccc(C(=O)NCC(=O)N/N=C(\C)c2ccco2)c1 4808007 XBKOLRZUXWZUBS-WOJGMQOQSA-N 315.329 1.558 50 40 DDGB COC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)CF 32624769 LOTGIRSFHOTTNO-UHFFFAOYSA-N 307.281 1.849 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 314480 HTAUDYCTMGCUPB-GYKGCMEESA-N 314.341 1.888 50 40 DDGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccncc1 6312106 FJKJJOUVMRQHMZ-WOJGMQOQSA-N 324.296 1.766 50 40 DDGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1csc(N)n1 32869055 UGIFBQZKDZBDSZ-VCHYOVAHSA-N 303.391 1.986 50 40 DDGB COc1ccc(/C=N/NC(=O)CNC(=O)c2cccs2)cc1 2771249 OFERTIRIUGEPDG-RQZCQDPDSA-N 317.370 1.637 50 40 DDGB O=C(Cc1cccc2ccccc12)NNC(=O)c1cccc[n+]1[O-] 84598363 HJIPVBOXMYRBEF-UHFFFAOYSA-N 321.336 1.477 50 40 DDGB O=C1[C@@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@H]1[C@](F)([C@@H]5I)[C@H]42 102946469 RUJMCBCIMWTKLD-XVMFTPOMSA-N 304.102 1.839 50 40 DDGB Cc1ccc(C(=O)NNC(=O)c2ccc3[nH]nnc3c2)c(C)c1 16494951 CEUVCSRDUAIGEA-UHFFFAOYSA-N 309.329 1.650 50 40 DDGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)OC(C)C 408602451 NZDXNQNPMRBEHL-SDQBBNPISA-N 318.329 1.418 50 40 DDGB O=C(NNC(=O)c1nc(-c2ccccc2)no1)NC1CCCC1 98211049 WNSABAVPODQFIR-UHFFFAOYSA-N 315.333 1.623 50 40 DDGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@H]1c1ccc(O)cc1 5570077 KGRHWIGWTSSMDC-KWBADKCTSA-N 324.262 1.664 50 40 DDGB O=C(Nc1ccc(F)cc1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 12421651 BYOJIEXCYQDFOQ-UWVGGRQHSA-N 306.746 1.352 50 40 DDGB COc1cc(C(=O)O)c(CNC(=O)CCl)c(OC)c1OC 84374 BAPHPKUPVBZACQ-UHFFFAOYSA-N 317.725 1.266 50 40 DDGB CC1(C)[C@]2(C)CC[C@]1(C(=O)N/N=C/c1ccc(O)cc1)OC2=O 100260167 ZFJAJJMVEFGBKX-NGJGBPPBSA-N 316.357 1.964 50 40 DDGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)cc1 408742086 MXPSKJJHDNNPEK-GIJQJNRQSA-N 314.345 1.883 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cn1 30802876 RCCBRNQPCYHHSE-APSNUPSMSA-N 300.274 1.768 50 40 DDGB O=C(COc1ccccc1)N/N=C\c1cccc([N+](=O)[O-])c1O 30734334 AKYYUEDULXMRQM-SXGWCWSVSA-N 315.285 1.830 50 40 DDGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(O)cc1 50363 XSKARGLNLJQZKF-RQZCQDPDSA-N 314.297 1.620 50 40 DDGB Cc1cc(C)n(CCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 503708 YVRJOVLFKLMUPY-MHWRWJLKSA-N 315.333 1.949 50 40 DDGB CCOc1ccc(C(=O)NNC(=O)c2cc(C)no2)cc1OC 8988360 SAFWEDPWZHPQOA-UHFFFAOYSA-N 319.317 1.465 50 40 DDGB NNC(=O)CCCC(=O)Nc1ccc(Br)cc1 15014105 YYJKIZYVCQDOKP-UHFFFAOYSA-N 300.156 1.548 50 40 DDGB CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(/C)c1ccc(C)cc1 100925406 ZWIADNQIBVAZED-FMNVXAMXSA-N 300.362 1.737 50 40 DDGB COc1cccc(OC)c1C(=O)NNC(=O)c1ccncc1 560095 DPQJAISSTGKXFC-UHFFFAOYSA-N 301.302 1.174 50 40 DDGB O=C1OC(=O)[C@H]2[C@H]1[C@@H]1C[C@H]2[C@H](Br)[C@@H]1Br 100149715 HHFFMUZIOYHTFC-LXTYMGNCSA-N 323.968 1.479 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2)c(O)c1 409391997 MODXOTQVXGFHHB-LZYBPNLTSA-N 302.286 1.576 50 40 DDGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)/C=C/C(=O)O)c1 1794844 IFZNYXYWOFFUFA-VOTSOKGWSA-N 320.345 1.285 50 40 DDGB Cc1c(/C=N/NC(N)=O)c2ccccn2c1C(=O)c1ccncc1 3172865 VNTJOSLGFORDEQ-KEBDBYFISA-N 321.340 1.876 50 40 DDGB COc1ccc(Br)c(C(=O)NNC(=O)C2CC2)c1 15793810 AOHWBEMFJOFJHS-UHFFFAOYSA-N 313.151 1.629 50 40 DDGB CC(C)=NNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 408906911 KIYWAWCQAFXIBX-UHFFFAOYSA-N 311.407 1.581 50 40 DDGB O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc2c(c1)CCC2 84581735 JVBFTYQTHIJZRU-QGZVFWFLSA-N 322.364 1.940 50 40 DDGB CCN1C(=O)[C@@H](C)S/C1=C(\C#N)C(=O)NCc1ccco1 12604528 OHUHXDINDKZGNJ-OFVMIXNHSA-N 305.359 1.615 50 40 DDGB CC(=O)Nc1cccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c1 109795572 DLAFUUDUPOCYAD-UHFFFAOYSA-N 322.324 1.731 50 40 DDGB O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)Nc1ccccc1 6339782 ORQOZKVDQYLLTO-RYUDHWBXSA-N 305.334 1.730 50 40 DDGB COC(=O)[C@H](Br)c1ccc(S(C)(=O)=O)cc1 116495505 FCRWSNBULADCBP-SECBINFHSA-N 307.165 1.699 50 40 DDGB NC(=O)Cn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21 9974809 CAGPAAHHGDBTFH-AWQFTUOYSA-N 321.340 1.286 50 40 DDGB Cc1ncc(CO)c(/C=N/NC(=O)c2c[nH]c3ccccc23)c1O 3538362 GYJXHRDIZJLLQS-DNTJNYDQSA-N 324.340 1.833 50 40 DDGB CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC(C)C)cc1 409186586 FCRYCUQLDOVGLK-JYRVWZFOSA-N 302.330 1.670 50 40 DDGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccncc2)c1O 37613826 XZEFDZHKQNTLBJ-LZYBPNLTSA-N 300.274 1.768 50 40 DDGB CCN(/C=C(\C#N)S(=O)(=O)/C(C#N)=C/N(CC)CC)CC 4135121 HJDAGWHSIGVDSD-PHEQNACWSA-N 310.423 1.815 50 40 DDGB O=C(NN[C@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 31259 OXCWAOIUBWRKIS-AWEZNQCLSA-N 313.269 1.698 50 40 DDGB CC1=C(C#N)[C@](NC(=O)c2cccc(C)c2)(C(F)(F)F)C(=O)N1 4452593 WUAXOOOJPXLGON-CQSZACIVSA-N 323.274 1.953 50 40 DDGB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@H]1[C@@H](Cl)[C@@H](Cl)[C@H]21 4592750 VVNNZLSINMNERG-YPTHNXLFSA-N 317.168 1.906 50 40 DDGB C/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 83813438 UTEDYBRTXSTOTK-JXCQQFQQSA-N 301.412 1.429 50 40 DDGB N#Cc1ccccc1OCC(=O)N/N=C1/C(=O)Nc2ccccc21 32079 KCZCKRYLRDFSQD-UHFFFAOYSA-N 320.308 1.410 50 40 DDGB COc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1[N+](=O)[O-] 5322445 OJKMVWRNILRKRM-VGOFMYFVSA-N 303.278 1.399 50 40 DDGB O=C(Cc1ccccc1)NNC(=S)NC(=O)c1cccs1 4994429 ZSRZWWOKAXCIKO-UHFFFAOYSA-N 319.411 1.626 50 40 DDGB Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1cccnc1 41091147 UCCHSNLEKBVLFM-UHFFFAOYSA-N 309.322 1.152 50 40 DDGB C=CCNC(=O)C/C(C)=N/NC(=O)c1ccc(OC)cc1OC 101259261 WRDUGJLUHUGFND-WOJGMQOQSA-N 319.361 1.502 50 40 DDGB C[C@H](Oc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1)C(=O)O 96298142 HDWMNMYBLZIXCR-QVIVLVACSA-N 300.314 1.724 50 40 DDGB COCCCn1c(=O)c2ccccc2n2c(CCl)nnc12 408712820 UKRZJVMYEHECKE-UHFFFAOYSA-N 306.753 1.820 50 40 DDGB Cn1cc(C(=O)N/N=C/c2ccc(OC(F)F)cc2)ccc1=O 3173107 XOVVKXIJZVDXRM-QGMBQPNBSA-N 321.283 1.751 50 40 DDGB Cc1ccsc1/C=N/NC(=O)CNC(=O)c1cccs1 4086454 YGRLPTHSNIHRFC-VIZOYTHASA-N 307.400 1.998 50 40 DDGB CCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccc(CC)cc1 4480633 KATUVQAGJGACAU-YBFXNURJSA-N 318.377 1.206 50 40 DDGB N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@@H]1c1ccccc1Cl 494682 YYQGUSDMIKPCKY-SECBINFHSA-N 316.704 1.347 50 40 DDGB CCCc1nc2c(o1)NC(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 8783370 JBGPXSRAUNJFSY-KRWDZBQOSA-N 321.340 1.985 50 40 DDGB CS(=O)(=O)[C@H](Br)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519004 ZZEHSEYWPUUZSI-BDAKNGLRSA-N 324.152 1.394 50 40 DDGB Cc1cc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)n(C)n1 139149 SRYMTGOEYSTZHE-RQZCQDPDSA-N 310.361 1.537 50 40 DDGB C[C@@H](Cl)CN(C[C@@H](C)Cl)C(=O)OC[C@H](N)C(=O)O 4783144 XRXTWSABNBANQL-PRJMDXOYSA-N 301.170 1.092 50 40 DDGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1Cl 7783875 UCNGZGMZOKRNIC-SXGUVYOMSA-N 309.753 1.085 50 40 DDGB N#CC(C(=O)COC(=O)[C@@H]1CCCO1)=C1Nc2ccccc2N1 2657516 IIOAGRLVPSPBCY-AWEZNQCLSA-N 313.313 1.550 50 40 DDGB O=C(CCl)Nc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1 4142015 GAKGUNXCSNEHFU-UHFFFAOYSA-N 306.105 1.949 50 40 DDGB COC(=O)[C@]1(NC(C)=O)C[C@@H](c2ccccc2)C=C(C#N)O1 4267386 SMABZDRNZNTMND-BBRMVZONSA-N 300.314 1.603 50 40 DDGB biogenic O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 69511217 QRLVOMTTXJUANC-AWEZNQCLSA-N 323.352 1.501 50 40 DDGB COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccco1 3087862 NEVOREKPMVYPSP-RQZCQDPDSA-N 301.302 1.168 50 40 DDGB CCOC(=O)/C(C#N)=C/NCc1cccc(Cn2cccn2)c1 102140254 BICFFBGUOORFPO-FOWTUZBSSA-N 310.357 1.992 50 40 DDGB Cc1c(C(=O)NNC(=O)c2ccncc2)cccc1[N+](=O)[O-] 569220 ACHBFYIHNJJOEB-UHFFFAOYSA-N 300.274 1.373 50 40 DDGB Cc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nn2)cc1 46129143 NMABCNYNXDUWOU-UHFFFAOYSA-N 321.340 1.651 50 40 DDGB COc1cccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)c1 6652222 STXKJICULWSICC-LICLKQGHSA-N 322.328 1.435 50 40 DDGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccccc1O 7001606 QWLPOGZMQMDWOY-WOJGMQOQSA-N 312.325 1.856 50 40 DDGB CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1 15835145 MQGFJXXKYOMHOY-UHFFFAOYSA-N 315.329 1.930 50 40 DDGB Cn1cccc1C(=O)NNC(=O)COc1ccccc1Cl 32971053 AGZBWXAQTVAWFW-UHFFFAOYSA-N 307.737 1.519 50 40 DDGB CN(C)NC(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C 4263310 FXOKJOYRPHVSRJ-WQHBLYJGSA-N 317.227 1.738 50 40 DDGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 4544592 WDDYZVLIAWLRPE-GIJQJNRQSA-N 313.313 1.020 50 40 DDGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 36084707 XSLKRBZFSSGHGQ-YRNVUSSQSA-N 303.274 1.066 50 40 DDGB NNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)c2ccccc2O1 225329012 PQDCVTUYXXGOTO-HNNXBMFYSA-N 311.341 1.013 50 40 DDGB O=C1O[C@@H]2[C@@H](I)[C@@H]3C=C[C@@H]4C[C@H]1[C@H]2[C@@H]43 43762141 VRDRMNZLCOLUNO-HVVVADTISA-N 302.111 1.784 50 40 DDGB NC(=S)N/N=C1/[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 261361245 WDKGDSOBYBOGRK-FGIRVMRLSA-N 312.236 1.327 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 7784956 AANUOTJULPFIRJ-XDHOZWIPSA-N 311.341 1.462 50 40 DDGB CC1(C)[C@@H](C(=O)NNC(=O)c2ccccc2)CC[C@]1(C)C(=O)O 3176094 HBQJBQSDPNRNFQ-SJKOYZFVSA-N 318.373 1.975 50 40 DDGB COc1cccc(/C=C(\C#N)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 96294968 KJLUMMMVICQYCQ-SJWLEHQBSA-N 313.357 1.326 50 40 DDGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(Cl)cc1 3009204 KSBLCKDWNXKBQE-CAOOACKPSA-N 305.721 1.700 50 40 DDGB O=C(N/N=C\c1ccc(O)cc1O)[C@H]1COc2ccccc2O1 13583167 FAUXCKPFQQMESZ-TUBDAXHVSA-N 314.297 1.388 50 40 DDGB COc1cc(C(=O)NNC(=O)c2ccco2)cc(OC)c1OC 237509 MMWMOYNUIBEXKE-UHFFFAOYSA-N 320.301 1.380 50 40 DDGB COc1ccc(NC(=S)NNC(=O)c2ccccn2)cc1 6569426 OGFJFUIXYYGXDG-UHFFFAOYSA-N 302.359 1.722 50 40 DDGB CCCC(=O)N/N=C1\CS(=O)(=O)N(C)c2ccsc21 1386844 LJNBBKASNFOQDL-XYOKQWHBSA-N 301.393 1.148 50 40 DDGB COc1ccc2nc(-n3nc(C)c(C(=O)NN)c3C)sc2c1 57351366 SGQWTHNTPHRCRC-UHFFFAOYSA-N 317.374 1.711 50 40 DDGB CO[C@H](C(=O)N/N=C1/C(=O)Nc2ccccc21)c1ccccc1 20248983 RYFQYWFURCAERI-HNNXBMFYSA-N 309.325 1.847 50 40 DDGB CN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 13476630 PITZYHDWVUHILU-JZBMNUFDSA-N 309.325 1.217 50 40 DDGB CC[C@@H](C)NC(=O)C/C(C)=N\NC(=O)COc1ccccc1 12418650 YCEJRVZTQOWWIT-XKORNODESA-N 305.378 1.862 50 40 DDGB COc1ccc(OCC(=O)N/N=C/c2cccc(O)c2)cc1 571981 QSPRBXSJPDMALS-LICLKQGHSA-N 300.314 1.930 50 40 DDGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1 4903627 YDNXQTXTKLGCBT-CIAFOILYSA-N 324.384 1.972 50 40 DDGB COc1cc(Br)c(/C=N/NC(N)=O)cc1OC 7894801 PKDKPMDPQYTIAG-WLRTZDKTSA-N 302.128 1.469 50 40 DDGB C=CCN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 5685816 KMHJZYAMRAQRIM-CYVLTUHYSA-N 306.325 1.748 50 40 DDGB O=C(NNC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CC1 9889635 PMHSFUWLHXONID-UHFFFAOYSA-N 316.144 1.033 50 40 DDGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cc(O)ccc1O 408562887 GDMHTUZKBFVTHS-ADFUCPMPSA-N 300.314 1.672 50 40 DDGB CN1CCN(S(=O)(=O)c2ccc(C(=O)Cl)cc2)CC1 34741593 RRGFWLNNHUSMAM-UHFFFAOYSA-N 302.783 1.002 50 40 DDGB N#CC1=C(N)N(/N=C\c2ccco2)[C@H](c2ccco2)C1(C#N)C#N 5822520 MCFGKNDMYIOZSR-LQAOBTILSA-N 318.296 1.991 50 40 DDGB CCCC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 4977062 XUTAVUWREPBSFD-UHFFFAOYSA-N 310.335 1.030 50 40 DDGB Cc1ncsc1C(=O)NNC(=O)[C@H]1CCOc2ccccc21 104642228 FRXGECIKRWJJQG-NSHDSACASA-N 317.370 1.779 50 40 DDGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccco1)OC2=O 100260612 QNTLFFWGTNWGQT-GJZGRUSLSA-N 306.318 1.163 50 40 DDGB CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)COc1ccccc1 4676662 YCEJRVZTQOWWIT-SLDGYZHNSA-N 305.378 1.862 50 40 DDGB COC(=O)C(=Cc1cc(OC)c(O)c(SC#N)c1)C(=O)OC 409059653 WFVDUHMBVMAYGW-UHFFFAOYSA-N 323.326 1.703 50 40 DDGB CCS(=O)(=O)[C@@H](Br)C(=O)c1ccc(N)cc1 96517874 SJRZJLUGZSQAEC-SNVBAGLBSA-N 306.181 1.607 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]1[N+](=O)[O-] 47295788 XYRRVVMEPWRKPM-IHZZBLFNSA-N 307.350 1.015 50 40 DDGB COc1cc(/C(C)=N/NC(=O)c2n[nH]c3c2CCC3)ccc1O 114983 MCHZRUVASBOJGU-RQZCQDPDSA-N 314.345 1.767 50 40 DDGB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@@H]1[C@H]1[C@H](Cl)[C@H](Cl)[C@H]21 102436072 VVNNZLSINMNERG-OWBHCOHNSA-N 317.168 1.906 50 40 DDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccccc1O 320591 UXAIMDJGWGDSRY-UHFFFAOYSA-N 310.306 1.155 50 40 DDGB O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 35406292 UGLAGPKTKKHKNJ-FSEGOYHTSA-N 315.285 1.484 50 40 DDGB CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)NN 57291786 OYUIEBHRELJFBE-INIZCTEOSA-N 315.373 1.349 50 40 DDGB COC(=O)[C@@H]1C[C@@H](Cl)CN1S(=O)(=O)c1ccc(C)cc1 12954962 QKXMIDXDXYNUCI-PWSUYJOCSA-N 317.794 1.538 50 40 DDGB CC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1 9153911 LIMDEOGWIFYGHE-UHFFFAOYSA-N 311.190 1.959 50 40 DDGB CCc1n[nH]c2c1[C@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2 8721226 DMLRVIIOKIJLBQ-KRWDZBQOSA-N 321.340 1.605 50 40 DDGB CC1(C)NC(=O)[C@@]2(C[C@H](OC(=O)c3ccccc3)C=C2C=O)O1 17130687 OOZBYTLIGFAPOH-DYVFJYSZSA-N 315.325 1.362 50 40 DDGB O=C(c1cccs1)[C@@H](Br)C(O)(O)C(F)(F)F 159356 ACOPGDFDXPPWFE-ZCFIWIBFSA-N 319.098 1.938 50 40 DDGB O=C(CCc1ccccc1)NNC(=O)c1ccccc1C(=O)O 143428 CSLYSZRNBSHIRK-UHFFFAOYSA-N 312.325 1.779 50 40 DDGB CCOc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1O 3030416 UKHGBIGSXOYPLY-GYKGCMEESA-N 314.341 1.975 50 40 DDGB COc1ccc(OCC(=O)NNC(=S)NC(C)(C)C)cc1 8301812 CAXFPMJAWDFLSO-UHFFFAOYSA-N 311.407 1.368 50 40 DDGB COc1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1 27017088 KDZUIRNHVUCEAM-NTCAYCPXSA-N 315.373 1.051 50 40 DDGB O=C(Cl)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 11847752 MQOUOVNEVUDMMY-UHFFFAOYSA-N 308.142 1.786 50 40 DDGB CCCCNC(=S)NNC(=O)c1c(C)nc2ccccn12 13684102 RRIFMHMYGYRZTC-UHFFFAOYSA-N 305.407 1.552 50 40 DDGB COc1ccc(C(=O)N/N=C(\C)Cn2cnc([N+](=O)[O-])n2)cc1 4610996 BFJYBUFIKPFBSQ-OQLLNIDSSA-N 318.293 1.001 50 40 DDGB C/C(=N\NC(=O)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 20248900 WKCBKWNLZWKQDM-FOWTUZBSSA-N 304.350 1.921 50 40 DDGB CN(C)S(=O)(=O)c1cccc(C(=O)CBr)c1 40163755 PXAFAJVCQGGTPU-UHFFFAOYSA-N 306.181 1.515 50 40 DDGB O=C(CCl)N(c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 40177611 VDWBLBFKXZHDAH-NSHDSACASA-N 305.758 1.585 50 40 DDGB CC(C)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 19202525 MUEQASKFVMVYEI-WOJGMQOQSA-N 319.405 1.504 50 40 DDGB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)C2)cc1 4813901 KWRBOINXMJEMAS-UHFFFAOYSA-N 302.783 1.024 50 40 DDGB O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)N1CCCC1 59459562 VCMSPBYFDIHPBK-GIJQJNRQSA-N 313.279 1.778 50 40 DDGB Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1F 7957565 DXBUSLVXPWKMRY-UHFFFAOYSA-N 316.288 1.938 50 40 DDGB Cc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 18708765 VUXQGOADQYJPHK-OKILXGFUSA-N 303.406 1.734 50 40 DDGB COc1cc(/C=N/NC(N)=O)c(Cl)c(Br)c1O 36617117 UJVNRKBUYQRBSE-QLKAYGNNSA-N 322.546 1.819 50 40 DDGB CC(C)(C)[C@@H](O)[C@@H](I)S(C)(=O)=O 96519219 TZKRNUIHUDABLG-WDSKDSINSA-N 306.165 1.199 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccccc1 550952 RFSJPRZOBLMLCJ-ACLQVGRQSA-N 305.315 1.840 50 40 DDGB CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)/C(=N/NC(=O)c1ccco1)C2=O 16739518 UAWRAYLZHPCOCO-UNTIMAPOSA-N 318.329 1.845 50 40 DDGB O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccccn1 6507542 FOKHRQZJHZVRFC-UHFFFAOYSA-N 306.325 1.947 50 40 DDGB C/C(N)=C(/C#N)C(=O)COC(=O)COc1ccc(Cl)cc1 4013166 WXRMRYMALHHSIV-FMIVXFBMSA-N 308.721 1.587 50 40 DDGB COC(=O)[C@H](CCC(=O)CCl)N1C(=O)c2ccccc2C1=O 6384971 OYKOYIWBGZHTMK-LBPRGKRZSA-N 323.732 1.412 50 40 DDGB CCc1cccc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)c1 16162241 XRJBFENUCIUJSI-UHFFFAOYSA-N 322.368 1.825 50 40 DDGB CCOC(=O)C(CC(=O)C(C)(C)C)=NNC(=O)c1ccco1 408957543 UVKKTSSONQWQDH-UHFFFAOYSA-N 308.334 1.934 50 40 DDGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1 408991413 NYEHCAOGHWBWJO-VCHYOVAHSA-N 316.361 1.344 50 40 DDGB C[N+]1(C)C[C@]2([N+](=O)[O-])CC=C(OCCCl)[C@@]([N+](=O)[O-])(C2)C1 4601780 JUKZVCDEHMYQLF-NWDGAFQWSA-N 320.753 1.041 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 104760598 ZLCQLMZSAYPROE-AHGNYBSDSA-N 315.285 1.477 50 40 DDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccncc1 123625 ZKXRNJRYKLLUIE-FRKPEAEDSA-N 314.257 1.482 50 40 DDGB CCOC(=O)/C(C#N)=C(/S)NNC(=O)c1ccc(OC)cc1 16681973 FHDSHKGYRIRIOX-ACCUITESSA-N 321.358 1.158 50 40 DDGB NC(=O)C(=O)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 33499177 YEJCWWZFLQXQRC-JPVKTXQWSA-N 309.325 1.516 50 40 DDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 1504924 JSZSPGTXMNVOTE-CQSZACIVSA-N 314.297 1.670 50 40 DDGB O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1cccnc1 2287407 FRRRPZAYAGHFPX-UORBOEOWSA-N 308.341 1.361 50 40 DDGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccs2)c1 15908487 FCIPRGVLIAQZCZ-UHFFFAOYSA-N 324.383 1.226 50 40 DDGB COc1ccc(OCc2nnc3n2NC(N)=C(C#N)S3)cc1 20726328 DPEKNWFGGFTWMP-UHFFFAOYSA-N 316.346 1.166 50 40 DDGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c(C)c1 3885831 ISYAJKRVMDOPPV-UHFFFAOYSA-N 319.386 1.708 50 40 DDGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCC(N)=O)cc1 408904078 DJSJABBQHQPPPU-LCYFTJDESA-N 301.346 1.326 50 40 DDGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1 409264617 LMZJVLYEHRRDAX-YBFXNURJSA-N 311.341 1.467 50 40 DDGB COc1ccccc1C(=O)n1cc(C(=O)NN)c2ccccc21 216955681 GXWWBGYRPSUIRD-UHFFFAOYSA-N 309.325 1.942 50 40 DDGB CC(=O)NNc1nc(SCCCCl)nc(N(C)C)n1 2267106 XXXRGOIHSIPVAT-UHFFFAOYSA-N 304.807 1.122 50 40 DDGB CC(C)(C)OC(=O)N1CCN(CCCBr)C(=O)C1 667357847 MGTUHPIXYWTSSI-UHFFFAOYSA-N 321.215 1.851 50 40 DDGB CNC(=O)/C(C#N)=C\c1ccc(SCCO)c([N+](=O)[O-])c1 8091863 HZZHAXCPLVFWMZ-POHAHGRESA-N 307.331 1.332 50 40 DDGB Cc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)CCl)cc2c1 13535348 LZNUQLHHJCILFC-UHFFFAOYSA-N 322.792 1.786 50 40 DDGB Cc1cc(NC(=O)/C(C#N)=C2\C(=O)Nc3ccc(F)cc32)no1 61719372 VLYVYVPHYXDIIA-RAXLEYEMSA-N 312.260 1.990 50 40 DDGB CNC(=O)/C(C#N)=C1\S[C@H](C)C(=O)N1c1ccc(C)cc1 9914819 ALKTXCBLDYIQML-ZYUPPKHXSA-N 301.371 1.945 50 40 DDGB O=C(N/N=C/c1ccco1)c1ccc(CN2CCOCC2)cc1 408775673 JWDVOJMTJUEDSG-LDADJPATSA-N 313.357 1.876 50 40 DDGB CN1C(=O)/C(=N/NC(=O)COc2ccccc2)c2ccccc21 5982206 LZZGJXYCXZJNEA-KNTRCKAVSA-N 309.325 1.562 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1 6428986 RRBDQFLIBRXDNO-GXDHUFHOSA-N 302.330 1.533 50 40 DDGB CCOc1ccc(/C=N/NC(=O)C(=O)N2CCC(C)CC2)cc1 3089138 VFEBBKWKNPJEPF-LDADJPATSA-N 317.389 1.794 50 40 DDGB CN(C)C(=O)[C@@H]1C(=S)NC(N)=C(C#N)[C@H]1c1cccs1 1412628 YJLIZTVLEUBDND-UWVGGRQHSA-N 306.416 1.161 50 40 DDGB COCCNC(=S)NNC(=O)c1ccc(Cl)c(Cl)c1 7062539 WWFSPBSOOLNOBM-UHFFFAOYSA-N 322.217 1.749 50 40 DDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2)cc1 7782047 MCZXUSAXNJFESW-XDHOZWIPSA-N 311.341 1.462 50 40 DDGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)CC#N 100922321 VZRIKFDJDYBVCH-CXUHLZMHSA-N 303.278 1.329 50 40 DDGB NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 63115299 BYGLXTHHSNXNCG-AWEZNQCLSA-N 301.321 1.157 50 40 DDGB CN1C(=O)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 13573589 KLNXLXCDYJWWTE-SAPNQHFASA-N 324.296 1.705 50 40 DDGB COCc1nc(C(=O)NNc2ccccc2[N+](=O)[O-])cs1 65094766 LIOWIVVXCCCXRO-UHFFFAOYSA-N 308.319 1.955 50 40 DDGB Cc1cccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)c1 20060282 ABCGQEREFXNZBM-UHFFFAOYSA-N 323.418 1.807 50 40 DDGB Cc1occc1C(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 6604615 DFVGDZHFLUYSAY-UHFFFAOYSA-N 314.257 1.582 50 40 DDGB CC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 409012803 KWVMPDCFGXYSAV-LNKIKWGQSA-N 305.117 1.927 50 40 DDGB COc1cccc(N(Cc2n[nH]c(=O)[nH]2)C(=O)CCCl)c1 72404109 AZPLZSYMCZDDNL-UHFFFAOYSA-N 310.741 1.269 50 40 DDGB CC(C)Oc1ccc(CC(=O)NNC(N)=S)cc1Cl 20134136 NPSDFUKVQURPKS-UHFFFAOYSA-N 301.799 1.534 50 40 DDGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccc1F 102633215 XJYAPCCMUHIPKY-NGERZBJRSA-N 318.304 1.110 50 40 DDGB O=C(NCC(=O)N(CCCl)CCCl)C(Cl)Cl 1692519 YLWRSIFDHBOKFF-UHFFFAOYSA-N 310.008 1.213 50 40 DDGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 6222767 DRKMYAKEMNNBPY-UHFFFAOYSA-N 301.258 1.375 50 40 DDGB CN1C(=O)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 101061661 HTNBHJVVQWSCSN-VKAVYKQESA-N 324.296 1.705 50 40 DDGB O=C(Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11919997 JXGAKGUQYUVHPH-UHFFFAOYSA-N 305.758 1.992 50 40 DDGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(N)=O 9235994 QGTRZERKQIQVGE-BJMVGYQFSA-N 305.359 1.142 50 40 DDGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2ccoc2C)[C@@H](C(=O)O)C1 4651803 MTQZTMNKTCNVAK-STQMWFEESA-N 320.345 1.796 50 40 DDGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 45957863 OVHVYHWOFYDQFO-ZDUSSCGKSA-N 322.792 1.637 50 40 DDGB CCOc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 5713628 XUSIGWWDOACMNB-UKTHLTGXSA-N 304.346 1.763 50 40 DDGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)cc2)c(C)c1 5744751 GKZKLIPHDKGRFC-UHFFFAOYSA-N 314.341 1.849 50 40 DDGB C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)c1cnccn1 100090159 NGVUFAFZYGHXQU-KEBDBYFISA-N 315.308 1.750 50 40 DDGB COc1ccc(N(C[C@@H](O)CCl)C[C@@H](O)CCl)cc1 1557976 CXKGBZDLIOSLJT-RYUDHWBXSA-N 308.205 1.701 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)[C@@H](O)c1ccccc1 36020376 NVYBJIDPZBZUAM-FSEGOYHTSA-N 315.285 1.484 50 40 DDGB N#CC(C#N)=C(N)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 104836704 ZGZGOSIXYIDPBG-XLUWADSXSA-N 309.241 1.490 50 40 DDGB O=C(CCl)NNC(=O)COc1ccc(Br)cc1 3379298 CQSOWNMDSBLCGV-UHFFFAOYSA-N 321.558 1.214 50 40 DDGB C=CCNC(=O)C/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-] 17729789 MJNBDYHGIAYEIR-MHWRWJLKSA-N 304.306 1.393 50 40 DDGB CCCc1[nH]nc2c1[C@]1(CC[C@H]3CO[C@H]1O3)C(C#N)=C(N)O2 100249626 OFMOODVUJLVUEI-QXRSLXQMSA-N 302.334 1.222 50 40 DDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC=C)c(OC)c1 7869785 SAIMXYYKXYOPQA-WOJGMQOQSA-N 317.345 1.012 50 40 DDGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1cccnc1 5163219 XLVPHWOHCYCZEX-CAPFRKAQSA-N 301.305 1.870 50 40 DDGB Cc1cccc(CS(=O)(=O)NNC(=O)c2ccccc2O)c1 71916530 CDXFMFGCSWAVLL-UHFFFAOYSA-N 320.370 1.465 50 40 DDGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc([N+](=O)[O-])c1O 18240587 AIRHVYHMEPOSSC-MKMNVTDBSA-N 319.277 1.104 50 40 DDGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1 409368062 QUBYRTWHNXKRNM-GXDHUFHOSA-N 314.341 1.768 50 40 DDGB Cc1ccsc1/C=N/NC(=O)CSc1nnc(N)s1 40947114 LOXQWKNRHSVJJM-UUILKARUSA-N 313.433 1.733 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)COc1ccc(F)cc1 252496487 PJIZGOUCIWFAKN-REZTVBANSA-N 308.288 1.536 50 40 DDGB C/C=C/C=C/C(=O)OCC(=O)NNC(=O)c1ccccc1Cl 8433680 OFZCKGDVCRGZQV-DSXPNFDZSA-N 322.748 1.777 50 40 DDGB CCOC(=O)[C@@H](C)/C(C)=N\NC(=O)Cc1ccc(OC)cc1 4507900 NVUHPBLWVSCVBK-TUCQUAOGSA-N 306.362 1.929 50 40 DDGB NC(=O)[C@@H](NNC(=O)c1c[nH]c2ccccc12)c1ccccc1 26224084 WSPHGVLLBKLDEN-HNNXBMFYSA-N 308.341 1.629 50 40 DDGB COc1ccnc(NNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)n1 46364918 QKKQMAXWMBUMJG-NOZJJQNGSA-N 316.317 1.157 50 40 DDGB Cc1cccc2cc(/C=N/NC(=O)c3ccncc3)c(=O)[nH]c12 9291545 FYNDFNYRAPMYIG-VXLYETTFSA-N 306.325 1.995 50 40 DDGB Cc1nc(Cc2ccc(Br)cc2)ncc1C(=O)NN 226100485 HWWVLQSJVUCOKM-UHFFFAOYSA-N 321.178 1.742 50 40 DDGB Cc1ccsc1/C=N/NC(=O)CC(=O)NCc1cccnc1 59434416 WTBIEUNOXXQEDH-VCHYOVAHSA-N 316.386 1.608 50 40 DDGB CCn1c(C)cc2c(c1=O)[C@H](c1cccnc1)C(C#N)=C(N)O2 2441993 QGVFLJMZLDJMDK-CQSZACIVSA-N 308.341 1.790 50 40 DDGB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NNC(=O)C1CC1 65834731 XQCIIXSWRRUEEM-UHFFFAOYSA-N 302.290 1.107 50 40 DDGB COc1cccc(/C=N\NC(=O)COc2ccccc2)c1O 32181186 LITAONCFVMMMSW-YVLHZVERSA-N 300.314 1.930 50 40 DDGB COc1ccccc1N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 40177580 KROCWEKMHDNROB-SNVBAGLBSA-N 317.794 1.454 50 40 DDGB Cc1cccc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 4657077 PBHKSNOTMKMTTK-OLZOCXBDSA-N 304.346 1.647 50 40 DDGB CS(=O)(=O)NNC(=O)c1cc2c(s1)-c1ccccc1CC2 5721277 XKGRLWMUQFSLKQ-UHFFFAOYSA-N 322.411 1.708 50 40 DDGB CCc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575425323 XYYGQGUARGXDHV-DTWKUNHWSA-N 322.839 1.836 50 40 DDGB NNC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 1652273 VODJRAKLUCEPDU-UHFFFAOYSA-N 305.359 1.232 50 40 DDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2)c1 2776156 WVGCAKOPTJRIPY-UHFFFAOYSA-N 300.314 1.779 50 40 DDGB O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(Cl)c1 6509529 CZRKIAAMWCADOD-UHFFFAOYSA-N 321.720 1.124 50 40 DDGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1CNCCO1 97228982 UOYCSIJHWKNSPR-QGZVFWFLSA-N 311.385 1.713 50 40 DDGB CCn1cc(Cl)c(C(=O)N/N=C/c2cnn(CC)c2F)n1 252498426 RBUCQOHEQNRONL-PJQLUOCWSA-N 312.736 1.676 50 40 DDGB C[C@H](CCl)OP1(=O)C[C@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C1 5532325 GWVWTNYIUVYKNF-VGMNWLOBSA-N 314.662 1.993 50 40 DDGB Cn1cnc([N+](=O)[O-])c1SSc1c([N+](=O)[O-])ncn1C 1670438 ZLLNCZMHVAWBKA-UHFFFAOYSA-N 316.324 1.769 50 40 DDGB Cc1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(C)o2)o1 3151557 GARMHMLTLZCELP-BGPOSVGRSA-N 302.290 1.090 50 40 DDGB C/C(=N\NC(=O)[C@@H]1C=NNC1=O)c1ccc(Cl)cc1Cl 100948825 IURJSGAATNRKMK-JPEBENEDSA-N 313.144 1.565 50 40 DDGB O=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O 409032001 IIRBTWCBIYOQJB-CXUHLZMHSA-N 315.285 1.699 50 40 DDGB COc1cccc(C(=O)NNC(=O)c2cccc(OC)c2)c1 1569430 OSAYFLPVWOOEMT-UHFFFAOYSA-N 300.314 1.779 50 40 DDGB NNC(=O)COc1ccc(-c2nccc(-c3ccccn3)n2)cc1 2576518 CPPAYCJMJHGNHR-UHFFFAOYSA-N 321.340 1.574 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=N\NC(=O)c3cccs3)ccc21 409081693 KSJCLABQYYCTTK-SXGWCWSVSA-N 314.370 1.702 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1OC 3057914 INZFASONXCXCFA-CXUHLZMHSA-N 307.350 1.069 50 40 DDGB C=CCN1C(=O)/C(=N\NC(=O)c2ccc(N)cc2)c2ccccc21 5685812 ZEHJHNAYFASJQR-SILNSSARSA-N 320.352 1.936 50 40 DDGB CCOC(=O)/C(C#N)=C\C1=C(N2CCOCC2)CC(C)(C)OC1 19313070 MFTPKKTWMZWTQH-LCYFTJDESA-N 320.389 1.785 50 40 DDGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 289028 FORLCXQTZPZBDQ-GMMCIKNFSA-N 301.302 1.797 50 40 DDGB COc1ccc([C@H](C#N)N2CCN(C(=O)CCl)CC2)cc1 12505149 CGOHNOHJTOYYLD-AWEZNQCLSA-N 307.781 1.643 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-] 2645718 XDZUZMQVWNVHDH-UHFFFAOYSA-N 315.285 1.678 50 40 DDGB Cc1ccccc1OCC(=O)NNC(=O)c1ccc(O)cc1 5422573 FKYACXNGRZVJRB-UHFFFAOYSA-N 300.314 1.541 50 40 DDGB CC(C)=NNC(=O)CSc1nc(C)cc(N2CCOCC2)n1 495504 MNFNUAKKMSRNFN-UHFFFAOYSA-N 323.422 1.226 50 40 DDGB O=C1CC[C@]2(C[C@H](Br)C(=O)c3ccccc32)C(=O)N1 1870387 WCPWFRUJLWZRLS-IINYFYTJSA-N 322.158 1.711 50 40 DDGB Cc1ccccc1CC(=O)NNC(=O)c1ccc2c(c1)OCO2 7525956 VKHATCYESLSPMW-UHFFFAOYSA-N 312.325 1.727 50 40 DDGB O=C(NN/C=C1\SC(=S)N=C1O)Nc1ccccc1O 36613152 RINIJUVORCHLMQ-YVMONPNESA-N 310.360 1.848 50 40 DDGB O=C1C[C@@H](C(=O)NNC(=O)c2ccc[nH]2)c2ccc(F)cc2N1 97011482 QFNMUWUZPLJEND-SNVBAGLBSA-N 316.292 1.041 50 40 DDGB CC1(CC(=O)N/N=C/c2ccc(Br)o2)OCCO1 62119 RJCIVNCPNCDRLF-NTUHNPAUSA-N 317.139 1.645 50 40 DDGB CCc1nn(C)c(C(=O)NNC(=O)c2ccccc2)c1Cl 132756 PZZALGKSEXAILU-UHFFFAOYSA-N 306.753 1.711 50 40 DDGB N#CC1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1cccc(F)c1 3073384 NEEHYNMRVBCUAZ-SECBINFHSA-N 316.317 1.790 50 40 DDGB COc1cc(O)c(/C=N/NC(=O)c2ccncc2)c(OC)c1 6641109 VACDESQTAIGCDF-RQZCQDPDSA-N 301.302 1.568 50 40 DDGB CSc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 59444322 HFQFVZSYWZYNRB-UDPFGDFPSA-N 321.402 1.154 50 40 DDGB C[C@@]12CC[C@H](/C(=N/NC(=N)N)C1=O)[C@@]2(C)CBr 100848429 MWWIFFOPFPFRNH-ZTJMPLAESA-N 301.188 1.226 50 40 DDGB O=C(N/N=C/c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885141 HZXLJBSVGRZHHI-CXUHLZMHSA-N 313.273 1.079 50 40 DDGB COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1[N+](=O)[O-] 2743085 SOKJUYIUGVHTTH-RQZCQDPDSA-N 314.301 1.950 50 40 DDGB CN(C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl 95942360 LKWSEOIQMIXRGI-UHFFFAOYSA-N 305.165 1.708 50 40 DDGB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)[C@H]2Br 100016815 XUJHKPSBHDQIOD-MHYGZLNHSA-N 311.197 1.643 50 40 DDGB O=C(CCn1nnc2ccccc21)NNC(=O)C1CCCCC1 419405 FLCBMIRUUDSMRO-UHFFFAOYSA-N 315.377 1.549 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 104604244 GZGLFALSLYJTLN-ISSRPVDLSA-N 314.297 1.297 50 40 DDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccco1 2207380 MCYJXQZZQNDVJV-ZDUSSCGKSA-N 304.302 1.551 50 40 DDGB COCCOC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C 3886780 FGRLHNFYTARMMI-UHFFFAOYSA-N 316.766 1.835 50 40 DDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1C1CCCCC1 4038121 GYEWFKMHGPGAMV-CYBMUJFWSA-N 302.330 1.882 50 40 DDGB CCNC(=O)NNC(=O)COc1ccc(Br)cc1 46705233 ULGIPUVKOPNQAI-UHFFFAOYSA-N 316.155 1.178 50 40 DDGB N#CC1=C(C#N)C(=O)C(Br)=C(Br)C1=O 1598243 HDEXQZFQDZGFLQ-UHFFFAOYSA-N 315.908 1.483 50 40 DDGB CC(C)(C)C(=O)NC(=S)NNC(=O)COc1ccccc1 1749488 VRVHPSLHZIACAY-UHFFFAOYSA-N 309.391 1.133 50 40 DDGB NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 226319427 YZRNTDLFLOEORW-UHFFFAOYSA-N 305.265 1.916 50 40 DDGB O=C(CCCCl)N(Cc1n[nH]c(=O)[nH]1)c1ccc(F)cc1 95473831 OKZKPTDZEZVULP-UHFFFAOYSA-N 312.732 1.789 50 40 DDGB O=C(Nc1ccc(F)c(Cl)c1)c1cc(B(O)O)ccc1F 169995102 SUZZUSICZSSECK-UHFFFAOYSA-N 311.480 1.550 50 40 DDGB in-vitro COc1cc(/C=N/NC(=O)c2cccnc2)c([N+](=O)[O-])cc1O 17644639 CXQARYBIPWOMHA-LZYBPNLTSA-N 316.273 1.468 50 40 DDGB N#CC1(C#N)CC(C=O)=C(N)[C@@]1(C#N)CC(=O)c1ccccc1 4813045 QPXHVKFCLYHZGX-KRWDZBQOSA-N 304.309 1.618 50 40 DDGB O=C(CNC(=O)c1ccco1)N/N=C/c1cccc([N+](=O)[O-])c1 1923409 UJDROKXNKDPQCP-LZYBPNLTSA-N 316.273 1.068 50 40 DDGB CCCCC(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 2064462 DZNNYKSTICIHAR-UHFFFAOYSA-N 324.362 1.421 50 40 DDGB Cc1ccc(NC(=O)CN2CCN(C(=O)CCl)CC2)cc1 34781279 XICYWARPOQJDHJ-UHFFFAOYSA-N 309.797 1.317 50 40 DDGB in-vitro Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)s1 84205181 NLTSAXSVBNPBBO-MNOVXSKESA-N 304.375 1.355 50 40 DDGB CCCNc1nnc(S[C@H](C)C(=O)NNC(=O)CC)s1 69657383 RSEUSACPHGONFO-SSDOTTSWSA-N 317.440 1.398 50 40 DDGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccc2ccccc12 100151567 CSNAEZXALLKKFR-ZNBBLSJYSA-N 308.341 1.802 50 40 DDGB Cc1ccc(NC(=O)CCCl)cc1S(=O)(=O)N(C)C 3887044 ZZXCPZBTWOFAKT-UHFFFAOYSA-N 304.799 1.813 50 40 DDGB Cc1nn([C@H]2CCS(=O)(=O)C2)c2[nH]c(CCl)cc(=O)c12 3888202 UMOZSRKMKGHSAM-VIFPVBQESA-N 315.782 1.131 50 40 DDGB CC(=O)c1c(NNC(=O)COc2ccccc2)oc(C)cc1=O 4604683 DKSJCXQPEQYQPK-UHFFFAOYSA-N 316.313 1.673 50 40 DDGB O=C(NN[C@@H](C(=O)N1CCCC1)c1ccccc1)c1cccnc1 15464173 BBALMWPIVZAMPR-MRXNPFEDSA-N 324.384 1.680 50 40 DDGB NNC(=O)COc1c(Cl)cc([N+](=O)[O-])cc1Br 226241201 XHWXVAWVXVLVRX-UHFFFAOYSA-N 324.518 1.379 50 40 DDGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1 15149077 SYMUBBRINYTSQZ-DJKKODMXSA-N 315.304 1.454 50 40 DDGB Cc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 5363216 FFYJJEUCXAHWJU-GHMZBOCLSA-N 302.783 1.521 50 40 DDGB C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1O)c1ccccc1 3147942 IQHABSJKXJOAQD-HWQJWEFDSA-N 311.341 1.720 50 40 DDGB CC1=C(n2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C(C#N)=C(N)O1 206335 UIWAGWXYQVSMMM-LBPRGKRZSA-N 324.300 1.883 50 40 DDGB O=C(COc1ccc(F)cc1)N/N=C/c1ccc([N+](=O)[O-])o1 137784 HLFPVVBGCYGQKS-VIZOYTHASA-N 307.237 1.856 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(Br)o1 104506870 FOJKHORPJSNYLV-SREVYHEPSA-N 313.107 1.524 50 40 DDGB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 4262778 VGRRUAJSKUAPLO-CYBMUJFWSA-N 324.296 1.810 50 40 DDGB O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 35406295 UGLAGPKTKKHKNJ-BRYYZUPOSA-N 315.285 1.484 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(C)cc1[N+](=O)[O-] 100929821 SBRYTAQYMWSWPW-XFFZJAGNSA-N 312.285 1.696 50 40 DDGB NNC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 57352733 PUZRGFPYPVQQSE-UHFFFAOYSA-N 301.302 1.554 50 40 DDGB Cc1ccc(OCC(=O)N/N=C/c2ccncc2)c([N+](=O)[O-])c1 4551027 WTVDMJWLHUBTJR-RQZCQDPDSA-N 314.301 1.827 50 40 DDGB Cc1occc1C(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102195557 ZPRHAYJUTINVRW-QSFUFRPTSA-N 306.318 1.096 50 40 DDGB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NNc1ncnc2ccccc12 3411378 ARBSLLIACCCKSF-QWRGUYRKSA-N 312.329 1.740 50 40 DDGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 35973945 QVTPDLRVQSBYEL-BCMYLCSRSA-N 317.301 1.503 50 40 DDGB O=C1CCc2cc(NS(=O)(=O)CBr)ccc2N1 8962482 SIJDTWWMVZVOSH-UHFFFAOYSA-N 319.180 1.665 50 40 DDGB O=C(O)CC[C@H](Br)[C@@H](Br)C(=O)O 1720122 NCYXNUHATKQYGV-WVZVXSGGSA-N 303.934 1.463 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1 7869683 DGWKIHZWDUJJCG-PBSOMRJOSA-N 303.362 1.616 50 40 DDGB CCn1c(CCNC(=O)/C(C#N)=C\c2ccco2)n[nH]c1=S 67076266 ITNGWUIBSJVUOC-NTMALXAHSA-N 317.374 1.819 50 40 DDGB COC(=O)[C@@]1(NC(C)=O)C[C@H](C)C(Br)=C(C#N)O1 4267395 PZALUIGLSDVSNC-UPONEAKYSA-N 317.139 1.178 50 40 DDGB biogenic CCCc1c(/C=N/NC(N)=O)c(OC)c2c(c1OC)OCO2 15085938 GJGWQHBUJFBBHA-OMCISZLKSA-N 309.322 1.387 50 40 DDGB CCOC(=O)NNC(=O)COCc1nc2ccccc2s1 32747779 TZBXHZCHBDVCPA-UHFFFAOYSA-N 309.347 1.590 50 40 DDGB NS(=O)(=O)c1ccc(Cl)c(C(=O)CBr)c1 78547027 VHUIAACKSBIPPM-UHFFFAOYSA-N 312.572 1.565 50 40 DDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(F)c1 100216569 WMZOQTJCNJRFMC-ZDUSSCGKSA-N 314.272 1.489 50 40 DDGB Cn1c(=O)n(CCCl)c(=O)c2c1ncn2Cc1ccccc1 2574761 GPGKRPGXUDOQNI-UHFFFAOYSA-N 318.764 1.184 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)c2c(C)nn(C)c2C)s1 84205171 RRTQLPTYIDMZEZ-VIFPVBQESA-N 320.418 1.972 50 40 DDGB COC(=O)N/N=C1\C(=O)Nc2ccc(C)c(Br)c21 18029797 PCWYOGBCHCSPGT-UHFFFAOYSA-N 312.123 1.770 50 40 DDGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN 5727158 ULIKJGUBTJMIDM-CQSZACIVSA-N 318.377 1.451 50 40 DDGB N#CC1=C(N)Nn2c(COc3ccc(Cl)cc3)nnc2S1 20733002 XSFDKWZNEQVBAB-UHFFFAOYSA-N 320.765 1.811 50 40 DDGB C#CCN1C(=O)/C(=N/NC(=O)c2ccoc2C)c2ccccc21 2737820 IMLVAMJKNZHSPF-OBGWFSINSA-N 307.309 1.702 50 40 DDGB COc1ccc(OC)c(NC(=O)C(=O)NN=C2CCCC2)c1 4703139 PHPYEPLXXWTAJF-UHFFFAOYSA-N 305.334 1.689 50 40 DDGB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCl)cc1 8981574 YUJNROMKMCDRAM-UHFFFAOYSA-N 304.799 1.893 50 40 DDGB C/C(=N\NC(=O)[C@H]1C=NNC1=O)c1cccc(Br)c1 100948980 JRJKDSUYRFUMNP-XVBMGZJVSA-N 323.150 1.021 50 40 DDGB COc1ccc(C(=O)NC(=S)NNC(=O)c2ccco2)cc1 2316377 CHNRGYGZFHEISG-UHFFFAOYSA-N 319.342 1.238 50 40 DDGB N#CCC(=O)N/N=C/c1ccccc1I 408549858 AJSZQLTUEUZTAE-NTUHNPAUSA-N 313.098 1.655 50 40 DDGB O=C(NNC(=O)c1csc(-c2ccco2)n1)c1ccccn1 29651977 YUOXXNUEHKEWCC-UHFFFAOYSA-N 314.326 1.873 50 40 DDGB O=C1CCN(S(=O)(=O)c2ccccc2)C[C@H]1Br 90659425 MIXGDXSVEFDIEG-SNVBAGLBSA-N 318.192 1.414 50 40 DDGB Cc1nc(C)c(C(=O)NNC(=O)c2ccccc2C(=O)O)s1 3218594 MGJCBBJPRZAJMY-UHFFFAOYSA-N 319.342 1.533 50 40 DDGB COc1ccccc1CN1C(=O)/C(=N\NC(N)=O)c2ccccc21 46085045 ZQTWATGCSDABML-CYVLTUHYSA-N 324.340 1.614 50 40 DDGB CCCCOc1ccc(/C=N/NC(=O)C(=O)NCCC)cc1 409129042 QKXRSZLLSFRHIB-LDADJPATSA-N 305.378 1.842 50 40 DDGB CC(=O)N/N=C1\C(=O)N(C2CSC2)c2c(F)cc(F)cc21 223749980 MVYVBPGRGLSNQR-BOPFTXTBSA-N 311.313 1.267 50 40 DDGB CCOc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(O)c1 314483 DEFGWURODWIORY-YCPFAOKUSA-N 314.341 1.975 50 40 DDGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1n[nH]c(N)c1C#N 5387421 LMEWZCSFZJJVEG-UNXLUWIOSA-N 324.256 1.565 50 40 DDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1 63488 YVZUJMIQBHOOAE-GZTJUZNOSA-N 306.329 1.490 50 40 DDGB Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 38177445 KGSLHQHXKRRFAC-LZYBPNLTSA-N 300.274 1.647 50 40 DDGB O=C1NC(=O)[C@@H](c2cccc(N(CCCl)CCCl)c2)N1 2008947 PWPKMTNHIIMLPD-LLVKDONJSA-N 316.188 1.851 50 40 DDGB Cn1cc(C(=O)NNC(=O)c2ccccc2)c(C(F)(F)F)n1 1402690 KBNVDFUUSPCTQI-UHFFFAOYSA-N 312.251 1.514 50 40 DDGB COc1ccc(-c2cc(C(=O)NNC(=O)CC(C)C)[nH]n2)cc1 12568103 ZBKNRIPHKBDYFN-UHFFFAOYSA-N 316.361 1.892 50 40 DDGB Cc1ccsc1/C=N/NC(=O)C(=O)NCc1ccccn1 59435544 LBVPUNFEPNNHNV-RQZCQDPDSA-N 302.359 1.218 50 40 DDGB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccco1 2272575 ACGFKIPFYPFSGZ-QWRGUYRKSA-N 310.350 1.958 50 40 DDGB Cn1c(=O)c(/C=C(\C#N)C(=O)N2CCOCC2)cc2ccccc21 36625746 BIOWXYGIEXETJE-RVDMUPIBSA-N 323.352 1.304 50 40 DDGB COCCOC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1 285645611 WVHIUHYYQXSQTA-KWJWQAOWSA-N 319.313 1.635 50 40 DDGB COC(=O)N/N=C/c1cc2c(cc1Br)OCO2 178263 FSGYZQILAWIJTC-UUILKARUSA-N 301.096 1.868 50 40 DDGB COc1cccc(C(=O)NNC(=O)c2c(C)oc(C)c2C)c1O 54144451 BOLFGTBTAKQCEY-UHFFFAOYSA-N 318.329 1.994 50 40 DDGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)ccc1O 59516000 KNHPAAHGEMYYEZ-CXUHLZMHSA-N 307.350 1.156 50 40 DDGB CC1(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)OCCCO1 59366741 YGDPTFNCQIPQCO-XNTDXEJSSA-N 307.306 1.588 50 40 DDGB NNC(=O)CCn1ccc(=O)c2cc(Br)ccc21 64873662 SWFWYRRTVBAANJ-UHFFFAOYSA-N 310.151 1.144 50 40 DDGB C#CCN1C(=O)/C(=N/NC(=O)c2ccc(F)cc2)c2ccccc21 18180515 ZVIFEFSFERFFHE-CAPFRKAQSA-N 321.311 1.940 50 40 DDGB N#CCC(=O)N/N=C/c1ccc(I)o1 566225 AUXNOEVOFNBEJE-VZUCSPMQSA-N 303.059 1.248 50 40 DDGB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CCl)CC1 12997594 YINPRILNQVBYAR-UHFFFAOYSA-N 320.736 1.694 50 40 DDGB O=C(C[n+]1ccccc1)N/N=C/C=Cc1ccccc1[N+](=O)[O-] 2033533820 IVJHVCLTOWAJEH-SACXHPDGSA-O 311.321 1.698 50 40 DDGB COC(=O)c1n[nH]c2c1[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 548285 VLCBNPUYYDZJDY-SCZZXKLOSA-N 300.318 1.722 50 40 DDGB Cc1ccc(-c2csc3ncn(CC(=O)NN)c(=O)c23)cc1 1784642 PYJASUNTEVOXHT-UHFFFAOYSA-N 314.370 1.423 50 40 DDGB Cn1cc(/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2)cn1 14239721 FTBGYUWSLOJMDE-FARCUNLSSA-N 304.737 1.548 50 40 DDGB COC(=O)/C(C#N)=C/c1cc2cc3c(cc2[nH]c1=O)OCCO3 9184032 LEHDVHMGPULMCW-VZUCSPMQSA-N 312.281 1.379 50 40 DDGB Cc1ccccc1OCC(=O)N/N=C/c1c(C)nn(C)c1F 252495517 ORYOKUGRHQYRNO-CAOOACKPSA-N 304.325 1.705 50 40 DDGB C[n+]1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 500270 GIHZDJJZWVGUCR-OAHLLOKOSA-N 310.377 1.962 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1 7869684 DGWKIHZWDUJJCG-OOIIIRTPSA-N 303.362 1.616 50 40 DDGB C=C1CC(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C1 408730913 VRCKVWIAWSRXTK-GIDUJCDVSA-N 303.274 1.740 50 40 DDGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1 6489196 FOBFUTWGABMBHN-PTNGSMBKSA-N 316.357 1.923 50 40 DDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2C)n1 36290057 WULYLVWTCRQGHM-OVCLIPMQSA-N 303.391 1.674 50 40 DDGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@H]1c1ccccc1 5604278 ZXKXTOPNRNSCHI-KWBADKCTSA-N 308.263 1.958 50 40 DDGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(OCC=C)cc1 5377306 VDJUEYAHVJZBHU-LDADJPATSA-N 301.346 1.394 50 40 DDGB COc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 17030767 RQXWIMADWQNBAJ-LCYFTJDESA-N 302.330 1.470 50 40 DDGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(C)=O 58683 SUKMZGGTCDNHSG-GIJQJNRQSA-N 313.313 1.779 50 40 DDGB biogenic Cc1cc(C)nc(SCC(=O)NNC(=O)c2ccccc2)n1 296344 TZUGOTGJQBGMDE-UHFFFAOYSA-N 316.386 1.647 50 40 DDGB COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cccnc1 6857772 PVBKOZNHFUGOHL-NSHDSACASA-N 305.721 1.555 50 40 DDGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 4544332 MXDGTMHAUWGFCS-VXLYETTFSA-N 311.341 1.623 50 40 DDGB CN(C)/C=C(/C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 686251439 JPNXRWFTGPELFB-QXMHVHEDSA-N 308.382 1.035 50 40 DDGB C/C(=N\NC(=O)c1cc(C)n[nH]1)C1C(=O)c2ccccc2C1=O 101158071 DOPNWFYKCHJIDB-GIJQJNRQSA-N 310.313 1.519 50 40 DDGB N#CC(C#N)=C(N)[C@H](C#N)CC(=O)N1CCCc2ccccc21 6315868 XHVLHXTXEAZEJI-ZDUSSCGKSA-N 305.341 1.756 50 40 DDGB C=CCNC(=S)NNC(=O)[C@H](CCC(C)C)CC(C)(C)O 8829164 YUUICDKWRUTWLW-GFCCVEGCSA-N 315.483 1.881 50 40 DDGB COC(=O)/C(C#N)=C1/CCS/C(=C(\C#N)C(=O)OC)S1 95864651 DUDBFQYYUQDHJL-NRGDDSENSA-N 310.356 1.715 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1 59515997 DNAGBPQVDTWELI-GZTJUZNOSA-N 303.362 1.616 50 40 DDGB C[C@]1(C(=O)NNC(=O)c2ccccc2O)CC1(Cl)Cl 21901461 MVMHSXMNRLLJGX-LLVKDONJSA-N 303.145 1.737 50 40 DDGB O=C(NCCBr)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3852466 VMTDMAALZWSLIF-UHFFFAOYSA-N 318.083 1.628 50 40 DDGB biogenic NNC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1cccs1 32594581 VJJIYKWVNZLJBP-IYSWYEEDSA-N 313.429 1.342 50 40 DDGB CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 4098248 UKLMEFSRPRDOLD-YQFWSFKMSA-N 308.374 1.820 50 40 DDGB biogenic,in-vitro C[C@@]1(NC(=S)OC[C@H](Cl)CCl)CCS(=O)(=O)C1 59568589 OOYUQBBRZGUSJY-VXNVDRBHSA-N 320.263 1.301 50 40 DDGB CC(C)Oc1ccc(CCC(=O)NNC(=O)CCC(=O)O)cc1 2371513 HZOCSGWLFWLGBX-UHFFFAOYSA-N 322.361 1.419 50 40 DDGB COc1ccc(/C=N/NC(=O)c2ccco2)c(C(=O)O)c1OC 4898831 PUKQFGLOSLCUJC-LZYBPNLTSA-N 318.285 1.759 50 40 DDGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(F)cc1 5945329 KKNZSSBPJBKZMH-UHFFFAOYSA-N 323.374 1.837 50 40 DDGB CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccccc1 19954003 COWHHLIMOBFJIQ-UHFFFAOYSA-N 309.391 1.499 50 40 DDGB COc1cccc(C(=O)NN)c1OS(=O)(=O)c1ccccc1 226307419 QNPMZVFBMJLZFE-UHFFFAOYSA-N 322.342 1.066 50 40 DDGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)[C@H]1COc2ccccc2O1 4505360 YLPYHIGTTGYBFP-FKZYXTMDSA-N 317.257 1.478 50 40 DDGB CCOC(=O)NC(=O)/C(C#N)=C\Nc1sccc1C(=O)OC 100219513 SEWBIHQFHZCAJE-FPLPWBNLSA-N 323.330 1.627 50 40 DDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccccn1 259420 XYXPATBKPUCCGG-CXUHLZMHSA-N 300.274 1.519 50 40 DDGB CCOC(=O)N/N=C(\C)c1ccc(OCC(=O)O)c(OC)c1 57589069 HCGKIIRBIXGKGN-OQLLNIDSSA-N 310.306 1.629 50 40 DDGB COC(=O)c1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 20248166 UVPHQBRTKGQPJV-GZTJUZNOSA-N 303.362 1.409 50 40 DDGB Cc1c(C(=O)NNC(=O)c2cccc[n+]2[O-])oc2ccccc12 46903912 DCGKXYNAFDQTIF-UHFFFAOYSA-N 311.297 1.449 50 40 DDGB C[C@@H](CO)CO[P@](=O)(N(CCCl)CCCl)N1CC1 1568571 CLGXZFXQSRZDPR-XTZNXHDOSA-N 319.169 1.835 50 40 DDGB O=C(CN1CCN(C(=O)CCl)CC1)Nc1ccc(F)cc1 12504835 GQBHDNDQHLQJEF-UHFFFAOYSA-N 313.760 1.147 50 40 DDGB in-vitro O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc(Cl)cc1 59515408 OFYLNHNREZFQGY-VXLYETTFSA-N 316.748 1.502 50 40 DDGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)NC[C@@H]1CCCO1 59434330 QLVOUBLBKAJKIZ-SJPXOZHESA-N 317.389 1.407 50 40 DDGB C[C@]1(CS(=O)(=O)O)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 5200035 MFEDKMBNKNOUPA-XFFJFQIUSA-N 311.197 1.643 50 40 DDGB C/C(Cc1ccccc1)=N/NC(=O)Cn1c([N+](=O)[O-])cnc1C 408975180 IYBQZSGGHXRFSC-BOPFTXTBSA-N 315.333 1.835 50 40 DDGB C[C@H]1C[C@@H]1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCOCC1 70038394 KMFDUZJDEXAKLV-FZMZJTMJSA-N 320.364 1.677 50 40 DDGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)NC1CC1 3664103 FUQCYOAUNUYPKJ-GIDUJCDVSA-N 300.145 1.722 50 40 DDGB NNC(=O)c1cccc(S(=O)(=O)NCCC2=CCCCC2)c1 225499541 MVHSARWHFIJPBG-UHFFFAOYSA-N 323.418 1.459 50 40 DDGB CCOCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2 69008495 XUUGLGHVNQTXNU-UVTDQMKNSA-N 316.357 1.908 50 40 DDGB NNC(=O)c1cc(Br)c(N)c(Br)c1 160827 YFFKNKXNFFNNKV-UHFFFAOYSA-N 308.961 1.397 50 40 DDGB O=C(COC(=O)c1ccco1)NNC(=O)c1ccc(Cl)cc1 2624461 HIDQKKNMJFXRMX-UHFFFAOYSA-N 322.704 1.551 50 40 DDGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(C)=O)c(OC)c1 2888093 QUIBXAVHDHZCGH-MDWZMJQESA-N 300.314 1.830 50 40 DDGB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN 4137053 PKLIOVIHUWUWBA-CYBMUJFWSA-N 318.377 1.594 50 40 DDGB CC(=O)NNC(=O)CSc1ncnc2sc3c(c12)CCC3 4215392 OWQXZYRKFMIFSJ-UHFFFAOYSA-N 322.415 1.439 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccc[nH]c2=O)c2ccccc2n1 12940883 DHGOKSRTSADNNI-UHFFFAOYSA-N 322.324 1.306 50 40 DDGB O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(Cl)Cl 4275886 VNBNGWJBGPYLDC-UHFFFAOYSA-N 313.118 1.203 50 40 DDGB CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 9317879 FMHLBZXWJWFCBM-LLUUXILJSA-N 303.278 1.397 50 40 DDGB N#Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(F)c1 37659 DBWYTXXSTFWLOH-FRKPEAEDSA-N 302.221 1.962 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccncc2)ccc1[N+](=O)[O-] 569217 CVAWEFLGMJCLPM-UHFFFAOYSA-N 300.274 1.373 50 40 DDGB N#CCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 221883 MQQQQPCZSJLJDT-LHHJGKSTSA-N 310.107 1.542 50 40 DDGB O=C(NNc1nc2c(F)cc(F)cc2s1)C1=COCCO1 4121501 VZNRVFRXOPLSDG-UHFFFAOYSA-N 313.285 1.906 50 40 DDGB O=C(COc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 586895 ZWCQLKZWINLOLS-UHFFFAOYSA-N 315.285 1.435 50 40 DDGB CCOC(=O)[C@H]1CCCC[C@@]12C(C#N)=C(N)Oc1[nH]nc(C)c12 6530379 NSKNVWQOQRRIFW-HWPZZCPQSA-N 316.361 1.796 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2cc(Br)c[nH]2)on1 24123729 UPURHBLVHPARBX-UHFFFAOYSA-N 313.111 1.148 50 40 DDGB COc1cc([N+](=O)[O-])ccc1Nc1nc(N)nc(CCl)n1 4677227 DENIOGKENCLSFW-UHFFFAOYSA-N 310.701 1.853 50 40 DDGB C/C(=N\NC(=O)c1cccnc1)c1cccc(OCC(=O)O)c1 6841463 SPMRJVWKTUPWBA-WOJGMQOQSA-N 313.313 1.699 50 40 DDGB COc1ccc(/C=N/NC(=O)c2[nH]ncc2Br)cc1 369175 LQUKGWKDFKKERJ-MKMNVTDBSA-N 323.150 1.945 50 40 DDGB O=C(CCl)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4182290 FCGLYEDPJUFZPM-UHFFFAOYSA-N 301.705 1.621 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)s1 66053698 NLTSAXSVBNPBBO-WDEREUQCSA-N 304.375 1.355 50 40 DDGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1O 4723619 IAILLGBXSZDKMI-UKTHLTGXSA-N 302.330 1.557 50 40 DDGB Cc1cc(=O)n(C)c(=O)n1CCCCCCBr 4866423 SZKBEZABGQPICN-UHFFFAOYSA-N 303.200 1.811 50 40 DDGB N#C/C(=C\c1cc(CSc2nnc(N)s2)cs1)C(N)=O 66089505 CKVQFIUPVWRYDE-FARCUNLSSA-N 323.428 1.866 50 40 DDGB CC(C)(C)[C@H](O)[C@@H](I)S(C)(=O)=O 96519218 TZKRNUIHUDABLG-RITPCOANSA-N 306.165 1.199 50 40 DDGB O=[N+]([O-])c1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575419916 ARUWEFWHUSTPKG-MNOVXSKESA-N 304.755 1.089 50 40 DDGB COc1cc(/C=N\NC(=O)c2cccnc2)c(O)c([N+](=O)[O-])c1 408968988 FHRXFBIKUQPFMD-PXNMLYILSA-N 316.273 1.468 50 40 DDGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCCC2)c1 40512026 AIAQWPFYLFELRE-UHFFFAOYSA-N 310.375 1.041 50 40 DDGB CCn1ncc(NC(=O)CCl)c1C(=O)Nc1cnn(C)c1C 17066540 AKGHYAOQWOUGPB-UHFFFAOYSA-N 324.772 1.375 50 40 DDGB COc1c(O)ccc(/C=N/NC(=O)c2cc(C)n[nH]2)c1[N+](=O)[O-] 18240591 GZSKOLYLDPKRGS-MKMNVTDBSA-N 319.277 1.104 50 40 DDGB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN)cc2)cc1 3196402 PPTSPBYKAFLYKA-UHFFFAOYSA-N 305.359 1.399 50 40 DDGB COC(=O)[C@@]12CC[C@](CBr)(C(=O)C1=O)C2(C)C 103708066 AWYFTQRIIJHQHR-NWDGAFQWSA-N 303.152 1.499 50 40 DDGB COC(=O)[C@@H]1C[C@H](Cl)CN1S(=O)(=O)c1cccs1 4002042 LSBVQDQGACTJDL-YUMQZZPRSA-N 309.796 1.292 50 40 DDGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H]3CCCO3)ccc21 16501276 LKLNOCNBWMWZSX-AWEZNQCLSA-N 316.361 1.305 50 40 DDGB COc1ccc(N(C(=O)CCl)[C@@H]2C=CS(=O)(=O)C2)cc1 40177662 SLCZGKUNIAXUNW-LLVKDONJSA-N 315.778 1.578 50 40 DDGB in-vitro CC[C@H]1S/C(=C(\C#N)C(N)=O)N(c2ccc(F)cc2)C1=O 2372879 PNGUYBLNBKYBDN-ZTMOJVSCSA-N 305.334 1.905 50 40 DDGB COc1ccc(S(=O)(=O)N2CCC(C(=O)Cl)CC2)cc1 11919998 VITJTZFQVHVEKG-UHFFFAOYSA-N 317.794 1.861 50 40 DDGB O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccccc1F 13250913 FENLWTQWGHCWEK-VHSXEESVSA-N 306.293 1.254 50 40 DDGB Cc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1 6932090 KSYDOJLRJULGDM-LICLKQGHSA-N 306.329 1.735 50 40 DDGB O=C(Cc1ccc(Cl)cc1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9483986 YGELZJOABRTIPM-QWRGUYRKSA-N 322.213 1.403 50 40 DDGB CS(=O)(=O)[C@H](Br)C(=O)c1cccc([N+](=O)[O-])c1 96517837 QZVVDBPNWDYQNE-VIFPVBQESA-N 322.136 1.543 50 40 DDGB CCOC(=O)Cn1nc(C)c(/C=C(\C#N)C(=O)OC(C)C)c1C 98053273 LFSAYKQDAZIBLS-NTUHNPAUSA-N 319.361 1.922 50 40 DDGB Cc1ccccc1NC(=O)C(=O)NNC(=O)c1cccs1 4833054 ULUUAPCIRXHQJP-UHFFFAOYSA-N 303.343 1.456 50 40 DDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])o1 5457844 BSHVVUIBYJKDCC-LBPRGKRZSA-N 319.273 1.833 50 40 DDGB CCCc1nnc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)s1 5470326 RUYGTKUCTICWPC-YFHOEESVSA-N 317.374 1.625 50 40 DDGB COc1ccc(/C(C)=N\NC(=O)c2cc(C)n[nH]2)cc1OC 17180684 WQJAMJPKYVCVBO-YVLHZVERSA-N 302.334 1.889 50 40 DDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2)cc1 4670422 ZIQPXWSJXYJWSN-UHFFFAOYSA-N 320.370 1.627 50 40 DDGB CC12CN3CCN(CC(C3)/C1=N/NC(=O)Nc1ccccc1)C2 22919318 ALCJFAXWTOICIL-CYVLTUHYSA-N 313.405 1.431 50 40 DDGB CCOC(=O)Cn1cc(/C=N/NC(=O)CC#N)c2ccccc21 510278 FKOAZDAVJPLHCT-GIJQJNRQSA-N 312.329 1.568 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1cccc(C)c1C 6217532 AIXBKCUAZATOAW-JYRVWZFOSA-N 324.340 1.805 50 40 DDGB C[C@@H](CCc1ccco1)NC(=O)NNC(=O)c1cnccn1 32779703 NBDINOZWUODQMU-JTQLQIEISA-N 303.322 1.035 50 40 DDGB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCl)C1=O 8939795 XFJUOGDKSPZMPZ-AWEZNQCLSA-N 309.753 1.200 50 40 DDGB C=CCNC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 7782359 WBJWYVNRBQWLMP-FRKPEAEDSA-N 300.145 1.746 50 40 DDGB C[C@@]1(NC(=O)OC(CCl)CCl)CCS(=O)(=O)C1 59568369 QQMLTMQKYGHLPL-SECBINFHSA-N 304.195 1.136 50 40 DDGB O=C(CCl)NC(=O)c1ccc(I)cc1 36108815 VAKXPEMQVVDRHH-UHFFFAOYSA-N 323.517 1.786 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)o1 3429640 BSKJCBWPMAJUDR-AWEZNQCLSA-N 316.313 1.497 50 40 DDGB NNC(=O)c1cn(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 216959601 PBBHSGFUXCXEFK-UHFFFAOYSA-N 324.296 1.842 50 40 DDGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1cccc(N)c1 96519103 XENSMVVMZIVODH-VHSXEESVSA-N 308.197 1.458 50 40 DDGB Cc1nn(C)cc1/C=N/NC(=O)c1cccc(Cn2cccn2)c1 131884 OENDZIRPEWLJFP-VCHYOVAHSA-N 322.372 1.737 50 40 DDGB CCOc1cc(/C=N/NC(=O)C[n+]2ccccc2)ccc1O 1754241 DALITEWDGIGHDR-UHFFFAOYSA-O 300.338 1.229 50 40 DDGB CC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 3059006 IQJHUWFFLXQSPA-UHFFFAOYSA-N 311.341 1.649 50 40 DDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)N(C)C 59333520 NHGFTYSHHUYFJQ-YHYXMXQVSA-N 305.290 1.607 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccncc1 3337301 LWGFBWMAJBIBAJ-CPNJWEJPSA-N 310.357 1.682 50 40 DDGB CC(=O)Nc1cccc(CNC(=O)NNc2ncccn2)c1 45618430 JOKCGYPEILODHU-UHFFFAOYSA-N 300.322 1.261 50 40 DDGB Cc1cc(C)c(/C=C(\C#N)C(=O)c2cccs2)cc1C 97371773 BBLOTYVCCDHPPM-UHFFFAOYSA-N 281.380 4.463 50 40 DDGB CCCC(O)(CCC)C(=O)N/N=C1\C(=O)N(C)c2ccccc21 18117661 VPRNXISTMFUMMD-JXAWBTAJSA-N 317.389 1.815 50 40 DDGB C=CCNC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 59506579 RJGBVQPNMFSUFG-FRKPEAEDSA-N 300.145 1.746 50 40 DDGB O=C(NNC(=O)C1CCCCC1)c1ccc(-n2cnnn2)cc1 9112367 KNCKBNKRGCNNBO-UHFFFAOYSA-N 314.349 1.004 50 40 DDGB COc1ccccc1CC(=O)N/N=C1/C(=O)N(C)c2ccccc21 60851230 KVGNAICTUBMMDB-LVZFUZTISA-N 323.352 1.735 50 40 DDGB COc1cc(/C=N/NC(=O)C[n+]2ccccc2C)ccc1O 5548908 QRBXOURTSRHIPG-UHFFFAOYSA-O 300.338 1.147 50 40 DDGB C[C@H]1CC(C)(C)[C@@H](CNC(=O)CCl)[C@@H]1NC(=O)CCl 501124 AXNCLGOFPPLGAX-HOTUBEGUSA-N 309.237 1.747 50 40 DDGB O=C(/C=C/c1ccco1)NC(=S)NNC(=O)C1CCCCC1 1893079 KYVLQYFLEJHEFN-CMDGGOBGSA-N 321.402 1.895 50 40 DDGB CCCOc1ccc(/C=C/C(=O)NNC(N)=S)cc1OC 62714551 PSYVVUYJAYYBKS-FNORWQNLSA-N 309.391 1.362 50 40 DDGB CCOC(=O)/C(C#N)=C/NCCc1ccc(OC)c(OC)c1 19690973 QLRNESIYHGWPRA-ACCUITESSA-N 304.346 1.806 50 40 DDGB CCc1ccccc1NC(=O)C(=O)NNc1nc(C)cc(C)n1 95942796 NIQAGBMDJJKMGZ-UHFFFAOYSA-N 313.361 1.738 50 40 DDGB Cc1cc(SCC(=O)NN)nc(COc2ccccc2)n1 223459027 OJLUQUGCZFVGSV-UHFFFAOYSA-N 304.375 1.446 50 40 DDGB CCCCOc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1 5466179 RJGAPIOCZJSFLS-LDADJPATSA-N 321.377 1.078 50 40 DDGB COc1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1 2771612 DLMLVUOMAOMOIF-UHFFFAOYSA-N 318.304 1.674 50 40 DDGB O=C(Cc1cccc(O)c1)NNC(=O)c1ccc2c(c1)OCO2 62580631 WMMPPRNKEPMISM-UHFFFAOYSA-N 314.297 1.125 50 40 DDGB COC(=O)NNC(=O)Nc1cc(NC(C)=O)ccc1Cl 48696501 TZFJNTOXTDZJOL-UHFFFAOYSA-N 300.702 1.691 50 40 DDGB O=C(N/N=C/c1cccnc1)C(=O)Nc1ccccc1Cl 4499520 CYPIUKAELCPWKB-RQZCQDPDSA-N 302.721 1.824 50 40 DDGB O=C(NC(=S)NNC(=O)c1cccs1)c1cccnc1 3669677 MGXFVMMPSJGKPT-UHFFFAOYSA-N 306.372 1.092 50 40 DDGB COCc1[nH]nc2c1[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2 4102703 QTYCDNYUHHXHMY-CYBMUJFWSA-N 312.329 1.783 50 40 DDGB Cc1ccsc1/C=N/NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 540669 PSVSMZYIHLCNPG-MKMNVTDBSA-N 321.362 1.928 50 40 DDGB CC(C)(C)OC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 4304014 QVBMAHKXYKYMMP-UHFFFAOYSA-N 317.323 1.313 50 40 DDGB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccco1 34201288 DVDOQFWUVDPHLH-SNVBAGLBSA-N 323.349 1.440 50 40 DDGB COc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3[nH]2)cc1 12546504 VWPUJOGMQIPNCZ-UHFFFAOYSA-N 324.340 1.575 50 40 DDGB O=C(N/N=C/c1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885123 FJXPOEUSYYQDCZ-RIYZIHGNSA-N 318.314 1.745 50 40 DDGB COC(=O)N/N=C/c1ccc(O)c(I)c1 9514048 CRRKVYJHMNGFPO-VZUCSPMQSA-N 320.086 1.687 50 40 DDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC=CCC1 40457459 RUACITBKJYJNAZ-BXUZGUMPSA-N 302.330 1.330 50 40 DDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccnc1 582040 AKROZIMYGGYYQK-FRKPEAEDSA-N 314.257 1.482 50 40 DDGB O=C(Cc1ccccn1)NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1 104449628 UYAIGYXRDRNKCA-LSDHHAIUSA-N 313.332 1.714 50 40 DDGB Cc1cc(/C=C(\C#N)C(=O)N2CCNC(=O)C2)c(C)n1C1CC1 23178010 QMEUHRHMWRJOGC-RIYZIHGNSA-N 312.373 1.305 50 40 DDGB CCCCNC(=S)NNC(=O)[C@H]1COc2ccccc2O1 6330102 ZCVIYCPNSXWCGV-GFCCVEGCSA-N 309.391 1.122 50 40 DDGB O=C(OC[C@]12CC[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)c1ccccc1 100396582 OCWJHGLNDABRMA-OVZMXSCWSA-N 302.282 1.091 50 40 DDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccco1 1895040 HXNJUKSJVPOZSR-UHFFFAOYSA-N 301.302 1.460 50 40 DDGB CCCCc1[nH]nc2c1[C@]1(CN3CCC1CC3)C(C#N)=C(N)O2 39325600 QIGAOJFBEHVVAU-KRWDZBQOSA-N 313.405 1.802 50 40 DDGB O=C(NNC(=S)NCCc1ccccc1)c1ccccc1O 6333811 SMFKPYKHHHNJIZ-UHFFFAOYSA-N 315.398 1.744 50 40 DDGB C#CCOc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 409343641 IHUCBNFPPIOKFV-HNMKQIAWSA-N 308.337 1.882 50 40 DDGB CC(=O)N[C@@H](C(=O)N/N=c1\sc2ccccc2n1C)C(C)C 30679996 HDTDHAILCAMFEC-ZLMULJHYSA-N 320.418 1.332 50 40 DDGB CCC[C@@]1([N+](=O)[O-])CC[C@@](C)(O)[C@H](/C(C)=N/NC(N)=O)C1 38802043 ZULOSMOAFIZNFR-APLAUELLSA-N 300.359 1.397 50 40 DDGB CCn1cc(Cl)c(C(=O)N/N=C/c2c(C)nn(C)c2F)n1 252481506 CNFSEYSKTNPUAZ-PJQLUOCWSA-N 312.736 1.501 50 40 DDGB COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1 5514963 BRAONFVIZIMODW-XDHOZWIPSA-N 311.341 1.462 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1)c1[nH]ncc1Br 22017150 XOBIYKWGWPYAIO-WLRTZDKTSA-N 309.123 1.642 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccncc2)c(OC)c1 258248 RXIWJDSEQKKAAN-UHFFFAOYSA-N 301.302 1.174 50 40 DDGB NNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1 36055681 LSKJTQWETPXWNE-JKSUJKDBSA-N 306.369 1.762 50 40 DDGB N#C/C(C(=O)CN1CCCCC1)=C1\NC(=O)c2ccccc2N1 26462606 BBZVJFIXQQANDK-DTQAZKPQSA-N 310.357 1.632 50 40 DDGB O=C1C(=O)N(CN(CCCl)CCCl)c2ccccc21 1688914 KPBPOHZNBRDOGP-UHFFFAOYSA-N 301.173 1.953 50 40 DDGB CCC1(CC)[C@H]2NC(=O)[C@@]1(C#N)C(C#N)=C(Br)N2 101352284 RQHIEUWOYVAFJU-BXKDBHETSA-N 309.167 1.492 50 40 DDGB CCN1CCC(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 55080738 KBELCCZUMHOXEY-UHFFFAOYSA-N 304.350 1.725 50 40 DDGB COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1O 2273256 XHSZTPGRRVGKIK-UHFFFAOYSA-N 300.343 1.619 50 40 DDGB CCO[Si](CCCNC(=O)CCCO)(OCC)OCC 195756139 QKDAMFXBOUOVMF-UHFFFAOYSA-N 307.463 1.314 50 40 DDGB CN(C)NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 12139885 FXOKJOYRPHVSRJ-AQUOVQTQSA-N 317.227 1.738 50 40 DDGB COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1cccnc1 5292597 UGZTXQRGTACOEN-BOPFTXTBSA-N 305.334 1.346 50 40 DDGB CCOC(=O)NNC(=O)CCCn1c(=O)oc2ccccc21 21770738 KXIKYZJKDKEFEM-UHFFFAOYSA-N 307.306 1.152 50 40 DDGB C[C@@H]1CC(C)(C)[C@H](CNC(=O)CCl)[C@H]1NC(=O)CCl 2275091 AXNCLGOFPPLGAX-LNLATYFQSA-N 309.237 1.747 50 40 DDGB COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)c1OC 5687102 AOUZEKSEYKBDAN-LBPRGKRZSA-N 312.329 1.954 50 40 DDGB N#CC(C#N)=C1C(=O)N(CCN2CCOCC2)c2ccccc21 20519329 ZPUDPCHAPLTBGC-UHFFFAOYSA-N 308.341 1.166 50 40 DDGB C[C@H](NC(=S)NNC(=O)c1ccn(C)n1)c1ccccc1 2795706 JABYMWUANHLADU-JTQLQIEISA-N 303.391 1.290 50 40 DDGB CCCCCC(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O 2231775 LAUAUJWQCDDPSF-ZDUSSCGKSA-N 303.362 1.520 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc[n+]([O-])c1 5788107 JLNFZVHXEXVJJE-UHFFFAOYSA-N 315.373 1.297 50 40 DDGB C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)Cc1ccc(F)cc1 22873496 SNXHESRQVHEXEV-SNVBAGLBSA-N 323.368 1.066 50 40 DDGB O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)C(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2 104044842 OQLAOXNDCYBUFL-GYKAWRESSA-N 302.378 1.571 50 40 DDGB CC(C)=NNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 408775669 IWPZVTRPWLGNPD-UHFFFAOYSA-N 301.343 1.104 50 40 DDGB CCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 4671599 NTXIIQXBOOABSX-UHFFFAOYSA-N 311.769 1.925 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1 9914085 FGXPROYOQGJKAG-ZDUSSCGKSA-N 300.318 1.017 50 40 DDGB C/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccncc1 6652227 RSAXLHMSCOAOOG-WOJGMQOQSA-N 307.317 1.211 50 40 DDGB CCCCC1CCC(C(=O)NNC(=O)C(=O)NC(C)C)CC1 52854263 GTMRHKHOBWTYKX-UHFFFAOYSA-N 311.426 1.655 50 40 DDGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 8972304 FWYHNPLLDBSAAT-NSHDSACASA-N 318.354 1.637 50 40 DDGB N#C/C(=C\c1cccn1-c1ccc(C(=O)O)cc1)C(=O)NC(N)=O 9265250 AXZWYBZWMBXYCP-DHZHZOJOSA-N 324.296 1.277 50 40 DDGB O=C(CN1CCCc2ccccc21)NNC(=O)c1cccnc1 58229792 JSPDVKUBWXFBTJ-UHFFFAOYSA-N 310.357 1.295 50 40 DDGB COc1ccc(-c2nc3cc(C(=O)NN)ccc3[nH]2)cc1OC 225253548 SHJFRVALZNACPM-UHFFFAOYSA-N 312.329 1.851 50 40 DDGB O=C(COc1ccccc1)NNC(=O)COc1ccccc1 4599143 WEYDUUXDWNNMBM-UHFFFAOYSA-N 300.314 1.292 50 40 DDGB CN(C)S(=O)(=O)c1cccc(NC(=O)NCCCl)c1 4935003 PVKXOKSHWHPYPV-UHFFFAOYSA-N 305.787 1.297 50 40 DDGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCN)[C@H](Br)C2=O 103697686 WVTMNZFGZQVCEF-JCOFBHIZSA-N 317.227 1.220 50 40 DDGB CCOC(=O)/C(C#N)=C1/c2ccccc2C(=O)[C@]1(Cl)C(N)=O 17107030 IGUXUWANHXBVPW-WOLCWHLNSA-N 318.716 1.186 50 40 DDGB O=C(C[C@@H]1C=CCC1)NNC(=O)[C@H]1COc2ccccc2O1 21191222 ZRNBNNOTTUMAMD-BXUZGUMPSA-N 302.330 1.330 50 40 DDGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C)[C@@H]2C1 804071 MWXSBHNYIZBYRJ-GWCFXTLKSA-N 311.345 1.421 50 40 DDGB NC(=O)N/N=C(\CCN1CCCCC1)c1ccc([N+](=O)[O-])o1 4722188 QRAMHPOAJHBWTK-XNTDXEJSSA-N 309.326 1.436 50 40 DDGB O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccccn1 10158847 KTTIZHCQEFHYNO-UHFFFAOYSA-N 323.312 1.048 50 40 DDGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(OC(C)C)cc1 408718548 XEXIUUVGRUBQQM-WOJGMQOQSA-N 303.362 1.616 50 40 DDGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c1 18088560 KJBUGFSVVHAORQ-JZJYNLBNSA-N 323.352 1.871 50 40 DDGB CC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CCC1 808867 YNNDBYYEHYLFIK-UHFFFAOYSA-N 301.346 1.346 50 40 DDGB CCS(=O)(=O)c1ccc2c(c1)N(C(=O)CCl)CCO2 43828142 URPLHPXNSDXBMX-UHFFFAOYSA-N 303.767 1.444 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1O 2166678 XYCVAWKGIWSWEB-CAOOACKPSA-N 314.297 1.893 50 40 DDGB O=C(N/N=C\c1ccc(O)cc1O)[C@@H]1COc2ccccc2O1 31875825 FAUXCKPFQQMESZ-QTISIFFUSA-N 314.297 1.388 50 40 DDGB C#CCN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2ccccc21 5816470 JCXDFZWIAMUJLI-DYTRJAOYSA-N 317.348 1.729 50 40 DDGB O=C(CI)Nc1ccc([N+](=O)[O-])cc1 25726132 LNNIRSCMSXBEFR-UHFFFAOYSA-N 306.059 1.968 50 40 DDGB O=C(Cn1nc2ccccc2n1)N/N=C/c1cccc([N+](=O)[O-])c1 64715 MXWQNOZKWFLCQB-CXUHLZMHSA-N 324.300 1.490 50 40 DDGB O=C(NNC(=O)c1csnn1)c1cc(Cl)nc(Cl)c1 2557751 JCKZGELXDUFCHF-UHFFFAOYSA-N 318.145 1.315 50 40 DDGB O=C(CC[C@H]1CCCO1)NNC(=O)c1ccc2c(c1)OCO2 44911712 DBKXZQMYRMQZAJ-LLVKDONJSA-N 306.318 1.136 50 40 DDGB Cc1nonc1C(=O)N/N=C/c1cccc(Br)c1 9426209 RVHIIDLQYTVJCW-AWNIVKPZSA-N 309.123 1.904 50 40 DDGB O=C(Cl)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958703 OXUZWGJDENVQGE-VIFPVBQESA-N 311.725 1.621 50 40 DDGB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)OCc1ccccc1 169227580 SDLSNWISSFHCKT-QWRGUYRKSA-N 303.767 1.317 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)CN2CCCCC2)c1 20248181 YWGQYFSCGBVPMN-GZTJUZNOSA-N 305.378 1.640 50 40 DDGB N#C/C(=C/c1cc(Br)cs1)C(=O)NC(N)=O 409231725 LTNIAKYOQUYKDT-KTAJNNJTSA-N 300.137 1.612 50 40 DDGB COc1ccc(O)c(/C=N/NC(=O)CNC2CCCCC2)c1 409380632 ORLWRVCZBQOTCO-VCHYOVAHSA-N 305.378 1.773 50 40 DDGB COC(=O)NNC(=O)c1ccc(OC)c(Br)c1 358391 OVSZWXJNNQBAIA-UHFFFAOYSA-N 303.112 1.459 50 40 DDGB O=C(NNC(=S)NCc1ccccc1)c1cccc(O)c1 7659152 VZSMCWYXROWZLY-UHFFFAOYSA-N 301.371 1.701 50 40 DDGB O=C(/C=C/c1ccco1)NNC(=O)[C@@H]1COc2ccccc2O1 6310429 KRNJUUGDCPPBEI-NPQIQWPPSA-N 314.297 1.280 50 40 DDGB CN(C)S(=O)(=O)c1cc(NC=C(C#N)C#N)ccc1Cl 5937960 VLFRYUXTSSIECC-UHFFFAOYSA-N 310.766 1.933 50 40 DDGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(O)cc1 409365256 QLCCGVFTCSFOQD-WQRHYEAKSA-N 312.325 1.856 50 40 DDGB O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)C(=O)N/N=C1\C[C@@H]2CC[C@H]1C2 104044847 OQLAOXNDCYBUFL-MXBBLYQYSA-N 302.378 1.571 50 40 DDGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1c(O)cc(C)oc1=O 5534513 UZZKOCXCNOJFJR-NGWPFTMJSA-N 316.313 1.228 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 409373300 TYDRITZVMGLTPA-VGOFMYFVSA-N 305.246 1.666 50 40 DDGB COC(=O)[C@]1(NC(C)=O)C[C@@H](C)C(Br)=C(C#N)O1 4267396 PZALUIGLSDVSNC-KBUNVGBDSA-N 317.139 1.178 50 40 DDGB biogenic Cn1cc(C(=O)NNC(=O)COCC2CC2)c2ccccc21 58391283 NGSCCLWPLGHZJV-UHFFFAOYSA-N 301.346 1.366 50 40 DDGB NC(=O)c1noc(C(=O)c2ccccc2)c1NC(=O)CCl 4770263 REPGLRSVMRXFCW-UHFFFAOYSA-N 307.693 1.182 50 40 DDGB NNC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1 40478941 SORGZLAQVYXRPQ-UHFFFAOYSA-N 311.345 1.582 50 40 DDGB COCc1n[nH]c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 533605 JBJVECLZRUOPGG-GFCCVEGCSA-N 300.293 1.913 50 40 DDGB COC(=O)NNC(=O)CCCSc1nc2ccccc2[nH]1 12633917 JCRMJCXUVDQFAC-UHFFFAOYSA-N 308.363 1.822 50 40 DDGB O=C(C[C@H]1SC(=O)NC1=O)NNc1nc2ccccc2s1 32597948 ZMZSVEWWEGMQBJ-MRVPVSSYSA-N 322.371 1.481 50 40 DDGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccc1Cl 5338228 ZSGFGLOJNNMKMV-VXLYETTFSA-N 316.748 1.502 50 40 DDGB N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2nccnc12 5047200 FIWJARZFRQICQR-OOXYOOLHSA-N 319.368 1.650 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 59515593 KDZATOJXXYJIJZ-DEDYPNTBSA-N 324.384 1.519 50 40 DDGB CC1(C)[C@]2(C(=O)NNC(=O)c3ccco3)CC[C@@]1(C)C(=O)O2 529530 QNTLFFWGTNWGQT-LSDHHAIUSA-N 306.318 1.163 50 40 DDGB C/C(=N\NC(=O)c1cc(O)c(O)c(O)c1)c1ccc(O)cc1O 5370231 HNTNHQCHSCFVOR-FRKPEAEDSA-N 318.285 1.369 50 40 DDGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(OC(C)C)cc1 408718337 LBSHRMJBFXATBR-LICLKQGHSA-N 305.378 1.839 50 40 DDGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 33632058 XHRVGKLYQIEBBK-UDWIEESQSA-N 324.384 1.846 50 40 DDGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1 408905307 WXWZVEJPKGMDQJ-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB C/C(=N/NC(=O)c1cccnc1)c1ccccc1OCC(N)=O 372927 ZPOHMVQJPRUVNX-ODLFYWEKSA-N 312.329 1.100 50 40 DDGB CNc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C)cc1 1697919 KKUDSNQLFQRFPZ-UHFFFAOYSA-N 319.386 1.660 50 40 DDGB COc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1O 3151375 PBTXYSBLHSMLJW-ZXMBATIKSA-N 300.314 1.585 50 40 DDGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cnccn1 2357573 SEIZGZQLOHKBLV-UHFFFAOYSA-N 311.128 1.858 50 40 DDGB CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 9331671 AFMAVRZUVIAAHW-FBWGLTFQSA-N 303.278 1.397 50 40 DDGB CCC[C@]1([N+](=O)[O-])CC[C@@](C)(O)[C@H](/C(C)=N/NC(N)=O)C1 38802041 ZULOSMOAFIZNFR-IZJWRDCBSA-N 300.359 1.397 50 40 DDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(O)c2)c1 9449630 LLCCNBMAXPGIJE-UHFFFAOYSA-N 316.313 1.484 50 40 DDGB C[C@@H](Cl)C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251089 FTTIBGVBKGDCKR-SECBINFHSA-N 317.736 1.280 50 40 DDGB Cc1ncsc1C(=O)NNC(=O)[C@@H]1CCOc2ccccc21 104642226 FRXGECIKRWJJQG-LLVKDONJSA-N 317.370 1.779 50 40 DDGB COc1cc([C@@H](C#N)NNC(=O)c2ccccc2O)ccc1O 6403688 XCMGBOMIGRLWQB-GFCCVEGCSA-N 313.313 1.606 50 40 DDGB CC(C)(C)OC(=O)NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 2727553 ZQWFURSHJDVEFJ-NSHDSACASA-N 323.324 1.487 50 40 DDGB NNC(=O)CCc1nc(-c2cccc(Br)c2)no1 71328703 GCOOQAITTQMOJD-UHFFFAOYSA-N 311.139 1.422 50 40 DDGB CCO/C=N/NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 4085027 JEIKMLKRHFRUHN-RQZCQDPDSA-N 315.329 1.363 50 40 DDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@@H]2C1 493746 SMXHNYSBQVUPQD-HZPDHXFCSA-N 316.368 1.437 50 40 DDGB COc1cccc(OCC(=O)NNC(=O)Cc2cccs2)c1 319830 ZTQDMWONXJQIAU-UHFFFAOYSA-N 320.370 1.526 50 40 DDGB Nc1ncnc2[nH]c(/N=N/N(CCCl)CCCl)nc12 4707189 CQQUXVSSOPAOIS-ISLYRVAYSA-N 303.157 1.713 50 40 DDGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2ccco2)[C@@H](C(=O)O)C1 2797374 PYAKEYKQNOLTRK-QWRGUYRKSA-N 306.318 1.488 50 40 DDGB COc1ccccc1N(C(=O)CCl)[C@@H]1C=CS(=O)(=O)C1 111923889 PPZMQVQOJDAZSS-SNVBAGLBSA-N 315.778 1.578 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccccn1 409020243 NATZRKOJEFKPPJ-GZTJUZNOSA-N 300.318 1.275 50 40 DDGB O=C(CNC1CCCCC1)N/N=C/c1ccc2c(c1)OCO2 409388814 XKBRJNIKPZJCFK-GIJQJNRQSA-N 303.362 1.788 50 40 DDGB CC(C)(C)CC(=O)NNS(=O)(=O)CC1Cc2ccccc2C1 585140527 GLUCEYUVUORHKI-UHFFFAOYSA-N 324.446 1.788 50 40 DDGB O=C1OC(=O)[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@H]12 100020455 MTFOVFKEUAKPNY-FBXFSONDSA-N 311.957 1.623 50 40 DDGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)CC)cc1 5855728 GCMOASGYHJVDST-UHFFFAOYSA-N 307.350 1.361 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccnc1 244350 LMZMQTJXYFTDSX-XDHOZWIPSA-N 310.357 1.682 50 40 DDGB Cn1/c(=N\NC(=O)c2ccc[nH]c2=O)sc2ccccc21 96926495 BMOPDSOPYPVKKY-SAPNQHFASA-N 300.343 1.174 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)o1 408724559 FPLMBAVHFPCTEH-LZYBPNLTSA-N 301.302 1.838 50 40 DDGB N#CCC(=O)N/N=C(\CNC(=O)c1ccccc1)c1ccccc1 18191601 GPEIOUYRFVSZIF-LTGZKZEYSA-N 320.352 1.851 50 40 DDGB CC(C)NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 8217587 VDOJIILHLIZBFU-GIDUJCDVSA-N 302.161 1.968 50 40 DDGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(N)s1 33291 LUODZMUZNLOGRQ-FRKPEAEDSA-N 314.374 1.603 50 40 DDGB COC(=O)c1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 233722 IAZBAOZHUJSYGM-MHWRWJLKSA-N 306.318 1.076 50 40 DDGB C/C(=N\NC(=O)CSc1nncn1C)c1ccccc1O 5047196 ZPPJWYULCLBVRZ-OQLLNIDSSA-N 305.363 1.153 50 40 DDGB O=[N+]([O-])c1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575419915 ARUWEFWHUSTPKG-GHMZBOCLSA-N 304.755 1.089 50 40 DDGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CCC2 51721 FKRJJYXWUMEAKB-GOSISDBHSA-N 321.336 1.916 50 40 DDGB CC(C)[C@@]12NC(=O)[C@](C#N)(C(C#N)=C(Br)N1)C2(C)C 100248779 VQNYDSNIJBNOKZ-STQMWFEESA-N 323.194 1.738 50 40 DDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1cccs1 1895035 BTZGOMIZSKPBDR-UHFFFAOYSA-N 317.370 1.928 50 40 DDGB Nc1nonc1C(=O)N/N=C\c1ccc(-c2ccccc2F)o1 408976038 OSLKTMFBTNSNHB-IDUWFGFVSA-N 315.264 1.815 50 40 DDGB C/C(=N\NC(=O)CNC(=O)c1ccccc1F)c1ccco1 4806421 GCCRVRARHARRAN-VCHYOVAHSA-N 303.293 1.689 50 40 DDGB COC(=O)[C@]12CC[C@](CBr)(C(=O)C1=O)C2(C)C 85398739 AWYFTQRIIJHQHR-RYUDHWBXSA-N 303.152 1.499 50 40 DDGB CCn1nc(C)c(/C(C)=N/NC(=O)NC[C@@H]2CCCO2)c1C 58198766 XMIWSWNVAMMBDF-VZWMTCDZSA-N 307.398 1.722 50 40 DDGB COc1ccccc1C(=O)NNC(=O)[C@H]1CCCN(C(C)C)C1 1565649206 WXIHPFZYEXASCY-ZDUSSCGKSA-N 319.405 1.577 50 40 DDGB O=C(NNc1nnc(NC2CCCCC2)o1)c1ccncc1 5740424 RSZFJALTQAMQNK-UHFFFAOYSA-N 302.338 1.966 50 40 DDGB Nc1nonc1C(=O)N/N=C/c1ccccc1Br 6222247 YWSQJCYERNKYEV-WLRTZDKTSA-N 310.111 1.178 50 40 DDGB O=C(NNC(=S)NCc1ccco1)c1n[nH]c2ccccc12 15528291 ZIYHEPLPTFWJHX-UHFFFAOYSA-N 315.358 1.465 50 40 DDGB COc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1OC 487252 BAXVYXTWKFMDOJ-CLXYIWAZSA-N 314.341 1.888 50 40 DDGB CCC(CC)=NNC(=O)C(=O)Nc1ccc(OC)cc1OC 59515787 ZXTAOIYLBWJMDT-UHFFFAOYSA-N 307.350 1.935 50 40 DDGB O=C(NCCOc1ccc2c(c1)CCC2)NNc1ncccn1 57268745 XSQNVWONINOYNE-UHFFFAOYSA-N 313.361 1.670 50 40 DDGB CCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 100192299 SXXRHBCSIZMONY-SDXDJHTJSA-N 309.325 1.893 50 40 DDGB Nc1c(C(=O)NNC(=O)c2ccccc2)cc(F)cc1[N+](=O)[O-] 48313332 CXPSZAKUWQMCIK-UHFFFAOYSA-N 318.264 1.391 50 40 DDGB O=C(CCn1ccnc1)NNC(=O)c1ccc2ccccc2n1 5901651 BTDNQPBCJVMZGQ-UHFFFAOYSA-N 309.329 1.283 50 40 DDGB O=C(CN1CCOCC1)N/N=C\c1ccc(C(F)(F)F)cc1 408996243 OYFCDYVHQKJTAG-NVMNQCDNSA-N 315.295 1.488 50 40 DDGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccnc1 409066567 NLIVSTULDXTMPS-DEDYPNTBSA-N 324.384 1.991 50 40 DDGB COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2)c1 4838850 HZOGQHMXOIPYNV-UHFFFAOYSA-N 313.313 1.095 50 40 DDGB O=C(NNc1ccc(F)cc1)[C@H]1CSCN1C(=O)C1CCC1 106355914 PXYPJKPIUNRXLQ-CYBMUJFWSA-N 323.393 1.970 50 40 DDGB O=C(N/N=C\c1c(F)cccc1Cl)C(=O)N1CCCCC1 59444771 YBXURAPOIWUGFW-MFOYZWKCSA-N 311.744 1.942 50 40 DDGB C[C@H]1CN([C@H](C)C(=O)NNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 13119833 MQTAUJSXOJZCIC-GRYCIOLGSA-N 323.368 1.084 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(=O)[nH]c1 15980326 RABXOQQPMQXIQP-UHFFFAOYSA-N 315.373 1.352 50 40 DDGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)NC(N)=O 409247453 HKINPWRUCAISCT-BHQIHCQQSA-N 300.101 1.801 50 40 DDGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2)s1 328375 HWLLRWYMRQISDW-RIYZIHGNSA-N 303.347 1.189 50 40 DDGB CCNC(=O)NNC(=O)c1cc(Br)ccc1OC 161828748 AZXBOFFMPFOCTL-UHFFFAOYSA-N 316.155 1.422 50 40 DDGB CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)NN)cc12 547781 KMPGYRJOCYGNOA-UHFFFAOYSA-N 305.334 1.032 50 40 DDGB COc1ccccc1OCC(=O)NNC(=O)c1ccoc1C 358491 UCAIXZHHQQAXEI-UHFFFAOYSA-N 304.302 1.437 50 40 DDGB Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC2(Cl)Cl)cc1 12534182 MHCRZKXXAVSMDE-JTQLQIEISA-N 316.188 1.748 50 40 DDGB Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)c1cccs1 58781610 AVKOLYPKFQWZGC-QMMMGPOBSA-N 306.391 1.663 50 40 DDGB O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc(F)cc1 13255369 GDZJLJDFIWHGFT-VXGBXAGGSA-N 306.293 1.254 50 40 DDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 5123846 VQMPYACAZWCWHK-CQSZACIVSA-N 312.329 1.954 50 40 DDGB CN1C(=O)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 14010308 MYTZOUJVRPGAPY-SAPNQHFASA-N 324.296 1.705 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 4651728 SRUGCRNUVIHRLB-YTWAJWBKSA-N 322.386 1.564 50 40 DDGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1 9389023 DIXCYMYVZBNXMD-UHFFFAOYSA-N 315.304 1.859 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)(C)C)c1OC 59515480 ZQEHDGOXZGOUJN-CXUHLZMHSA-N 307.350 1.069 50 40 DDGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)C1=COCCO1 9604145 IVFOHEZLWMAWET-UHFFFAOYSA-N 322.386 1.666 50 40 DDGB Cc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)o1 16149699 RLQBCBKGHHSAAF-UHFFFAOYSA-N 312.322 1.659 50 40 DDGB COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccccc1OC 96515887 ZXVSLMKATHCPBZ-LBPRGKRZSA-N 310.737 1.715 50 40 DDGB CCn1ncc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)c1F 252490178 KLFFUQKELPCPGP-PJQLUOCWSA-N 312.736 1.501 50 40 DDGB O=C(NNC(=O)c1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1 5750355 IGRVTOINCXPKKC-UHFFFAOYSA-N 317.257 1.081 50 40 DDGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)[C@@H]1CCCO1 100090248 DCIRSMHSKUONSN-SGPNVBEDSA-N 307.325 1.825 50 40 DDGB N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1cccc(F)c1 83182 XVFUHTIKOBZUAI-SNVBAGLBSA-N 305.334 1.383 50 40 DDGB O=C(N/N=C/c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1957576 HQKKTKGCUXHHCK-NTUHNPAUSA-N 304.218 1.860 50 40 DDGB CC(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)NN 57291787 OYUIEBHRELJFBE-MRXNPFEDSA-N 315.373 1.349 50 40 DDGB O=C(CCCO)N/N=C/c1cc(Br)ccc1O 2667988 RDEZHAKSHNTDNP-NTUHNPAUSA-N 301.140 1.377 50 40 DDGB O=c1c2ccccc2n2c(CCl)nnc2n1C[C@H]1CCCO1 408712747 NCTMBIFSCBHJNU-SNVBAGLBSA-N 318.764 1.962 50 40 DDGB Cc1cc(C)nc(SCC(=O)NNC(=O)c2ccccn2)n1 46465509 FTWFOFXUHFQHGU-UHFFFAOYSA-N 317.374 1.042 50 40 DDGB C[C@H](CO)N(C)NC(=O)c1csc(-c2ccc(F)cc2)n1 585140451 FDPNFMCFOXFUMM-SECBINFHSA-N 309.366 1.907 50 40 DDGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(Cl)cc1 4079724 KXFOIPXIGRCLEB-CAOOACKPSA-N 305.721 1.813 50 40 DDGB O=C1OC(=O)[C@@H]2C[C@H]([C@@H]3CC[C@H]4C(=O)OC(=O)[C@@H]4C3)CC[C@@H]12 103546483 SNHKMHUMILUWSJ-PAUJSFGCSA-N 306.314 1.218 50 40 DDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(N)=O)cc1OC 408991872 RIIGNVXVQXOHSS-IZZDOVSWSA-N 304.302 1.029 50 40 DDGB CC(C)C(=O)NNS(=O)(=O)c1c(Cl)cccc1Cl 9388643 NHYIBVVGKJEGOX-UHFFFAOYSA-N 311.190 1.959 50 40 DDGB C[C@H](C(=O)CCl)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 549970 RHBFWHSCPBGDRP-MRVPVSSYSA-N 320.754 1.412 50 40 DDGB COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 325190 QDDNPYBORJXMIF-UHFFFAOYSA-N 320.370 1.627 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(C)c([N+](=O)[O-])c1 104854981 UGFYOTDEIZXGFY-LUAWRHEFSA-N 303.274 1.385 50 40 DDGB CCN(CC)c1ccc(/C=N/NC(=O)c2nc[nH]n2)c(O)c1 6709033 DHOQBNFVIQXRKI-LZYBPNLTSA-N 302.338 1.120 50 40 DDGB CCc1ccc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1 9089518 KARPIMXBVUJEQC-LBPRGKRZSA-N 315.398 1.806 50 40 DDGB O=C(NNC(=O)c1ccco1)c1cncc(Br)c1 8355180 XELSBFDJVNXSBM-UHFFFAOYSA-N 310.107 1.512 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)CCSCC(C)C)n1 42950867 XOIDZUGIRHLBEH-UHFFFAOYSA-N 312.439 1.427 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)NC2CCCCC2)c1O 3058038 OMHPPLZVNPPQCQ-LICLKQGHSA-N 319.361 1.300 50 40 DDGB CC(=O)OCC(CCI)COC(C)=O 5161251 BBRUXHDMYDKKTH-UHFFFAOYSA-N 314.119 1.554 50 40 DDGB in-vitro C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1ccc(F)cc1 58009918 QAMPMQJGYGEIAD-GXFFZTMASA-N 310.325 1.171 50 40 DDGB O=P(N1CC1)(N1CC1)N1CCN=C1C(Cl)(Cl)Cl 100931290 BXQCIXDHFMRGTM-UHFFFAOYSA-N 317.544 1.810 50 40 DDGB Cc1ccc(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)o1 12998263 IPEPJGJSPUSVMX-UHFFFAOYSA-N 316.239 1.265 50 40 DDGB CCOC(=O)[C@H](C)/C(C)=N\NC(=O)Cc1ccc(OC)cc1 4507904 NVUHPBLWVSCVBK-NVGQTZGUSA-N 306.362 1.929 50 40 DDGB COc1ccc(C)cc1S(=O)(=O)NNC(=O)OC(C)(C)C 7418260 UQJLCZULDYROGV-UHFFFAOYSA-N 316.379 1.722 50 40 DDGB O=C(CCN1CCc2ccccc2C1)N/N=C/c1cccnc1 36640189 WCIMXZGMAAZCEY-DEDYPNTBSA-N 308.385 1.980 50 40 DDGB CC(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 5726135 QPBCKZGZUTVHNF-LFIBNONCSA-N 318.354 1.924 50 40 DDGB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Cl 35186612 NAORTZUFSKBTGE-QMMMGPOBSA-N 320.798 1.511 50 40 DDGB C/C(=N\NC(=O)c1ccncc1)c1ccccc1OCC(N)=O 5517021 QOYCVVOWPZMSIC-YBFXNURJSA-N 312.329 1.100 50 40 DDGB COc1ccc(OC)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 247332 DCFSQBOSYWIPML-XETPBLJFSA-N 316.357 1.906 50 40 DDGB O=C(NNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)C1CC1 47908262 ZPKYBOKOUDYHAC-CYBMUJFWSA-N 307.394 1.115 50 40 DDGB COc1ccc(CC(=O)NN=C2CCN(C)CC2)cc1OC 57294218 YAWIALAWJXCLAO-UHFFFAOYSA-N 305.378 1.444 50 40 DDGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccoc1 1951209 ROSHHLCERWKWSD-REZTVBANSA-N 305.721 1.813 50 40 DDGB C=CCNC(=S)NNC(=O)COc1ccc(Cl)cc1C 2299074 VCKXSQSHFGBCJJ-UHFFFAOYSA-N 313.810 1.709 50 40 DDGB Cc1ccc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1 9363663 FLXPFWAPYDOENL-LLVKDONJSA-N 301.371 1.552 50 40 DDGB Cn1cccc1/C=N/NC(=O)c1cncc(Br)c1 197538 UTVWRPWAOQDLDL-OVCLIPMQSA-N 307.151 1.947 50 40 DDGB O=C(Nc1ccc(F)cc1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 12421653 BYOJIEXCYQDFOQ-ZJUUUORDSA-N 306.746 1.352 50 40 DDGB CCOC(=O)[C@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccccc1 1602616 PBDNSVIBFFNKTR-NXEZZACHSA-N 320.172 1.572 50 40 DDGB CCOC(=O)C[C@@H](Br)C(=O)CBr 2047914 GHCIEKOFCRTBJW-RXMQYKEDSA-N 301.962 1.667 50 40 DDGB COc1ccccc1/C=C/C=N/NC(=O)Cc1cc(=O)[nH][nH]1 6519389 AWIAZIZAZZORMD-LWOAUJEXSA-N 300.318 1.070 50 40 DDGB COCCNC(=O)CC(=O)N/N=C/c1c(F)cccc1Cl 59444798 GAVOIEHZXPRCQP-CAOOACKPSA-N 315.732 1.082 50 40 DDGB Cc1ccn2c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cnc2c1 98013311 LSWFEXGGRXLVCZ-XETPBLJFSA-N 310.357 1.845 50 40 DDGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccs1 63749 JPDIMRVPGZZDDU-UHFFFAOYSA-N 321.314 1.496 50 40 DDGB Cc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1 23445596 NQGMWHYNBFOZTG-UHFFFAOYSA-N 323.150 1.555 50 40 DDGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(O)cc2O)c1 6685685 OKGIKAJWLCISOW-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB COC(=O)[C@H]1C[C@@H](Cl)CN1S(=O)(=O)c1cccs1 1393271 LSBVQDQGACTJDL-HTQZYQBOSA-N 309.796 1.292 50 40 DDGB N#CC(C(=O)COC(=O)[C@H]1CCCO1)=C1Nc2ccccc2N1 2657515 IIOAGRLVPSPBCY-CQSZACIVSA-N 313.313 1.550 50 40 DDGB CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](CCCl)O2 4038100 LTQWDVIQLOGLAW-LLVKDONJSA-N 303.767 1.809 50 40 DDGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1 4473502 BTSYQAFRWYWCHL-AWEZNQCLSA-N 312.329 1.954 50 40 DDGB biogenic,in-vitro CC(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccccc2)c1 9389025 ZNNXNKVLMUAIRL-UHFFFAOYSA-N 311.341 1.649 50 40 DDGB COc1cc(C(=O)NN=C2CCN(C)CC2)cc(OC)c1OC 5525401 RSURUULUMSFORR-UHFFFAOYSA-N 321.377 1.524 50 40 DDGB O=C(NCc1ccc2c(c1)OCO2)NNC(=O)c1ccccc1 32795419 YVOGYPYMMTXUHJ-UHFFFAOYSA-N 313.313 1.560 50 40 DDGB NC(=S)N/N=C1\[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]3[C@@H](Br)[C@@H]2[C@@H]5[C@H]14 195528810 WDKGDSOBYBOGRK-QMCRSGJYSA-N 312.236 1.327 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1OC 3055801 UJSGUCPLSNRCJZ-GZTJUZNOSA-N 319.361 1.166 50 40 DDGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccn1 13236494 GZDBORKWONPVEN-RQZCQDPDSA-N 302.721 1.824 50 40 DDGB O=C(CC(=O)N/N=C\c1cccc(O)c1)NCc1ccccc1 59444821 GSLJWSCDBDRELG-UNOMPAQXSA-N 311.341 1.549 50 40 DDGB Cc1nn(C)cc1C(=O)N/N=C/c1ccn(CC(F)(F)F)n1 252486883 HPWYQOBIDFGULB-FZSIALSZSA-N 314.271 1.251 50 40 DDGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccccc1F 204839 MVKKYVFSIDMDQF-OMCISZLKSA-N 305.269 1.389 50 40 DDGB CC1(C)[C@@]2(CBr)CC[C@]1(C(=O)O)C(=O)OC2=O 103708027 NPZWOOZGEDGQLW-MNOVXSKESA-N 305.124 1.342 50 40 DDGB COc1ccc(C(=O)[C@H](C)Br)cc1S(N)(=O)=O 22053270 SQGAPXNJRUUJFQ-LURJTMIESA-N 322.180 1.309 50 40 DDGB in-vitro C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C(=O)CBr 72207496 DXYQKQUIFUHBDI-GHMZBOCLSA-N 317.227 1.773 50 40 DDGB C/C(=N\NC(=O)c1ccccc1)c1ccc(-n2cnnn2)cc1 5494679 LUDTYQDLIRSGSY-LDADJPATSA-N 306.329 1.816 50 40 DDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(O)c1 58841 UPZAWOXOLIRWJK-CXUHLZMHSA-N 315.285 1.830 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc2c(c1)OCO2 3527037 VLRWKLMYJHATCA-FRKPEAEDSA-N 300.270 1.590 50 40 DDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(O)cc(O)c1 13322290 KPFXUWGPHDJPLX-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB O=C(CNC(=O)c1cccs1)NNC(=O)c1cccs1 6508536 AGZLZUWWLYHFOJ-UHFFFAOYSA-N 309.372 1.001 50 40 DDGB C#CCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 5816475 NPZNCBMIMHNHNL-CYVLTUHYSA-N 304.309 1.196 50 40 DDGB O=C(Cl)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 96345850 LNPWKNMNTWRZCT-SNVBAGLBSA-N 322.791 1.026 50 40 DDGB CCOc1cc(/C=N/NC(=O)c2ccc(=O)n(C)c2)ccc1O 308297 HZIUFZCIYFLOAR-RQZCQDPDSA-N 315.329 1.254 50 40 DDGB COc1cccc(/C=N/NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 493052 XGPFMGLLKKUSES-VGOFMYFVSA-N 303.278 1.101 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 16693896 UUJIBLASECTCBH-JYRVWZFOSA-N 311.297 1.519 50 40 DDGB N#C/C(=C/c1c(S(=O)(=O)O)sc2ccccc12)C(N)=O 17423068 TULNRTDBGLXIGW-ALCCZGGFSA-N 308.340 1.540 50 40 DDGB O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccco1 12601413 BVMKJXQCKUWAKE-UHFFFAOYSA-N 314.276 1.679 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)[nH]1 105809046 XVZJWQZOULGVRY-NTMALXAHSA-N 300.343 1.341 50 40 DDGB CCCC[C@@](CCC(=O)O)(C(=O)NN)c1csc(N)n1 2362043 XSLLYSHAPPXXDK-LBPRGKRZSA-N 300.384 1.008 50 40 DDGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1C 225500176 SCHYJKXKAGRWMG-UHFFFAOYSA-N 319.386 1.708 50 40 DDGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(OC)cc1 96519141 VQNFYQOUELKJRU-GHMZBOCLSA-N 323.208 1.884 50 40 DDGB COc1cccc(/C=N\NC(=O)c2sc(N)nc2C)c1O 16729634 DZKWJXIPBCGQSK-UUASQNMZSA-N 306.347 1.512 50 40 DDGB CC1(C)[C@]2(C(=O)NCCN)CC[C@]1(CBr)C(=O)C2 103707940 SLJPYMKLSUONLE-OLZOCXBDSA-N 317.227 1.222 50 40 DDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccco1 12996234 KUCUOQIEMPADIT-LLVKDONJSA-N 320.320 1.966 50 40 DDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1 6509741 YXFBLCZIAMIAJL-UHFFFAOYSA-N 324.383 1.226 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)c2cc3ccccc3o2)n1 6602062 DBDUIORGPIZWRE-UHFFFAOYSA-N 312.329 1.707 50 40 DDGB Cc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1O 5619924 YVKRLBIKWAKSHX-UHFFFAOYSA-N 315.285 1.684 50 40 DDGB O=C(NNC(=O)C1CC1)c1ccc(=O)n(Cc2ccccc2)c1 16839225 UNBWUFZQLAOYHM-UHFFFAOYSA-N 311.341 1.068 50 40 DDGB O=C(N/N=C/c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885130 XCWMWKYPHYCENM-RIYZIHGNSA-N 302.246 1.277 50 40 DDGB N#CC(C(=O)CSc1n[nH]c(N)n1)=C1Nc2ccccc2N1 13125418 WBILWQUFWIHXPL-UHFFFAOYSA-N 313.346 1.321 50 40 DDGB N#C/C(=C\N1CCC(C(N)=O)CC1)C(=O)NC1CCCCC1 6669478 VUSGLKZNFDGQEI-ACCUITESSA-N 304.394 1.040 50 40 DDGB CCNC(=S)NNC(=O)CSc1nc2ccccc2[nH]1 13687162 TUEDXKYOMFHLPF-UHFFFAOYSA-N 309.420 1.170 50 40 DDGB C/C(Cn1c(CCl)nc2ccccc2c1=O)=N/NC(N)=O 6292743 ASQMCZDVAMXKPE-IUXPMGMMSA-N 307.741 1.180 50 40 DDGB O=C(NNC(=O)C(F)(F)F)c1cccc(Br)c1 60866 KQQQUEVPEOROPY-UHFFFAOYSA-N 311.057 1.772 50 40 DDGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F 7784625 BZVFHTNHBMTVJT-VCHYOVAHSA-N 315.304 1.923 50 40 DDGB Cc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21 16362998 VLUKYNLDCGKPGH-UHFFFAOYSA-N 308.341 1.571 50 40 DDGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccncc1 14877193 NUUQFVFQXWKJOH-UHFFFAOYSA-N 307.313 1.547 50 40 DDGB CN1CCC2(CC1)C(C#N)=C(N)C(C#N)(C#N)C1=C2CN(C)CC1 125817 IGFHQTLSACAQTA-UHFFFAOYSA-N 322.416 1.114 50 40 DDGB O=C(CC1CCNCC1)N/N=C/c1ccn(CC(F)(F)F)n1 252500213 SPGHAJLYQVDKBU-QGMBQPNBSA-N 317.315 1.285 50 40 DDGB CCN(CC)c1ccc(C=NNC(=O)c2nc[nH]n2)c(O)c1 257345315 DHOQBNFVIQXRKI-UHFFFAOYSA-N 302.338 1.120 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NNc1cccc(Cl)c1 16694067 LQUUUQOVEMQFMI-GHXNOFRVSA-N 302.721 1.637 50 40 DDGB CCS(=O)(=O)CC(=O)NNc1ccccc1C(F)(F)F 53323282 ILQSJRQMCULVMU-UHFFFAOYSA-N 310.297 1.583 50 40 DDGB CN1Cc2cc3c(N)c(C(=O)NN)sc3nc2CC1(C)C 4734616 UXXNWTWHGIAGPZ-UHFFFAOYSA-N 305.407 1.249 50 40 DDGB Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)C1CC1 2136031 CWOPWWUKVCBCML-UHFFFAOYSA-N 321.402 1.114 50 40 DDGB O=[N+]([O-])c1cccc(S(=O)(=O)NCCCBr)c1 4203910 HZPVHCHBCVPPCP-UHFFFAOYSA-N 323.168 1.658 50 40 DDGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21 6621949 QZEMPDHYLVTQOJ-AWEZNQCLSA-N 309.325 1.910 50 40 DDGB O=S1(=O)C=C[C@H](NC(=S)OC(CCl)CCl)C1 59568373 NGNUXNWLROOBIR-LURJTMIESA-N 304.220 1.034 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1cccc(Cl)c1 2779884 XAKSGSDRASOXTQ-VXGBXAGGSA-N 324.764 1.992 50 40 DDGB CC1=C(C#N)[C@](NC(=O)c2ccccc2C)(C(F)(F)F)C(=O)N1 5092341 VFMPEAZNFVYMCK-CQSZACIVSA-N 323.274 1.953 50 40 DDGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnc(C)cn2)c1 30863445 OGRUCGGZHLCUEA-UHFFFAOYSA-N 314.345 1.242 50 40 DDGB Cc1cc(S(=O)(=O)NNC(=O)c2ccccc2)ccc1F 41091228 IDYMCRYPNXNIHR-UHFFFAOYSA-N 308.334 1.757 50 40 DDGB COc1cccc(C(=O)NCC(=O)N/N=C/c2cccs2)c1 4079635 LQUMODSLEJNIPY-RQZCQDPDSA-N 317.370 1.637 50 40 DDGB O=C(C[n+]1ccccc1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 16789650 IVJHVCLTOWAJEH-GXVPTRGYSA-O 311.321 1.698 50 40 DDGB NC(=O)C(=O)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 33499175 YEJCWWZFLQXQRC-CCNLRRDASA-N 309.325 1.516 50 40 DDGB COc1cccc(CC(=O)NNC(=O)c2cccc(O)c2)c1 9315173 HXEHTHMZQSQZKI-UHFFFAOYSA-N 300.314 1.405 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)C[C@H](C)c2ccccc2)n1 6427463 XWEXAJWGJHLOHK-LBPRGKRZSA-N 314.389 1.841 50 40 DDGB Cc1cc(O)nc(NN2[C@@H](Cl)C(=O)[C@H]2c2ccc(O)cc2)n1 16958243 ZOWILBISMAMGLH-DGCLKSJQSA-N 320.736 1.714 50 40 DDGB COC(=O)[C@H]1C(=O)NC(SC)=C(C#N)[C@H]1c1ccccc1F 79242 FHUHCQZJHOMTBM-VXGBXAGGSA-N 320.345 1.926 50 40 DDGB Cc1cc(OCC(=O)NNC(=O)c2ccncc2)ccc1Cl 569243 RBIXVTWQKZRUEJ-UHFFFAOYSA-N 319.748 1.883 50 40 DDGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1cnccn1 67194073 ZXHXAZQGNSCBIX-OCKHKDLRSA-N 322.328 1.440 50 40 DDGB COC(=O)[C@@H]1C[C@H](Cl)CN1S(=O)(=O)c1ccc(C)cc1 13394611 QKXMIDXDXYNUCI-JQWIXIFHSA-N 317.794 1.538 50 40 DDGB Cc1occc1C(=O)NN[C@H](C(=O)NC1CC1)c1ccccc1 15474470 XZNCFBLVCCSUQB-HNNXBMFYSA-N 313.357 1.842 50 40 DDGB NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 63115301 BYGLXTHHSNXNCG-CQSZACIVSA-N 301.321 1.157 50 40 DDGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1O 409383423 XTSJPVABAPEAMC-VCHYOVAHSA-N 305.378 1.773 50 40 DDGB COCCNC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408812788 MKILHFUBEMKZBA-ONNFQVAWSA-N 308.721 1.738 50 40 DDGB O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCCC1 47451576 KABQWTNCLDLDJQ-GFCCVEGCSA-N 307.394 1.115 50 40 DDGB COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2)cc1 4838852 OPHGJJZGVFIPOC-UHFFFAOYSA-N 313.313 1.095 50 40 DDGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc(O)cc1 35984736 KLPMPPSIDXYJHK-XPDROFSCSA-N 323.352 1.372 50 40 DDGB N#C/C(=C\N1CCC(C(=O)O)CC1)C(=O)NCc1ccccc1 32021095 PVVQVOLVGARGHR-NTCAYCPXSA-N 313.357 1.507 50 40 DDGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccn[nH]1 5296510 LVEYJQXCIMEEAB-VCHYOVAHSA-N 308.345 1.976 50 40 DDGB CC1=NOC(=O)[C@@]12C(N)=C(C#N)C(C#N)(C#N)[C@@H]2c1ccccc1 501150 PCKACTMTICUFCB-GUYCJALGSA-N 317.308 1.473 50 40 DDGB N#CC(C#N)=CNC[C@H](c1ccc(F)cc1)N1CCOCC1 19363807 VGDDEVDYUFKTMQ-MRXNPFEDSA-N 300.337 1.720 50 40 DDGB CCOC(=O)[C@H]1CO[P@](=O)(N(CCCl)CCCl)N1 1556918 LCSKFSHPFAAHJP-CVJBHZAOSA-N 319.125 1.426 50 40 DDGB CCn1c(=O)c(C(=O)CCl)c(N)n(Cc2ccccc2)c1=O 3268162 LKJDOBQUFMAPMJ-UHFFFAOYSA-N 321.764 1.082 50 40 DDGB O=C1NCCC[C@@H]1C(=O)N/N=C/c1ccc(Cl)cc1Cl 59461533 LVOQPSQIUBTYJF-GBYSLYJZSA-N 314.172 1.970 50 40 DDGB Cc1cnc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 28198872 BWHLMGJGUYFFHQ-UHFFFAOYSA-N 314.389 1.762 50 40 DDGB Cn1nccc1/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2735419 TZKCRKNGIJUPOI-NTUHNPAUSA-N 318.249 1.000 50 40 DDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccnc2)c1C 13004296 DGMRUJJWPWAAML-UHFFFAOYSA-N 300.318 1.304 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3ccccc3n2)n1 5704535 SDUFCXZLXDQLNO-UHFFFAOYSA-N 323.356 1.509 50 40 DDGB CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 95983222 ODHLSJWGAUVWOX-GXFFZTMASA-N 318.377 1.587 50 40 DDGB O=C(CN1CCCCC1)N/N=C/c1ccc(N2CCOCC2)o1 408994432 FZVZVGJSTAHBJD-SFQUDFHCSA-N 320.393 1.052 50 40 DDGB O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)[C@@H]1CCS(=O)(=O)C1 102216450 BSKGHDZYPWSQMD-QBTNQZQJSA-N 310.419 1.349 50 40 DDGB O=C(NNC(=S)NC1CCCCC1)c1ccc2c(c1)OCO2 3256454 UHLAXOYJDIOKDB-UHFFFAOYSA-N 321.402 1.857 50 40 DDGB O=C1c2ccccc2C(=O)c2c1[nH][n+](=O)n2CCCCCl 408710523 ILJALWYTJAFRNV-UHFFFAOYSA-O 306.729 1.525 50 40 DDGB O=Cc1ccc(P(c2ccc(C=O)o2)c2ccc(C=O)o2)o1 95486410 VHXFTYQVAQIODK-UHFFFAOYSA-N 316.205 1.661 50 40 DDGB COc1ccc(C(=O)NNc2oc(C)cc(=O)c2C(C)=O)cc1 4604685 VROVDHCFLSTOTE-UHFFFAOYSA-N 316.313 1.916 50 40 DDGB O=C(COc1cccc2ccccc12)NNC(=O)c1cnccn1 510166 MIDHNCPDKOTVSP-UHFFFAOYSA-N 322.324 1.470 50 40 DDGB N[C@H](Cc1ccccc1N(CCCl)CCCl)C(=O)O 2040774 ZJHNCWIVJDCKSB-LLVKDONJSA-N 305.205 1.925 50 40 DDGB Cc1cnc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cn1 6506683 HXKGMCXGBAWWEQ-UHFFFAOYSA-N 322.328 1.250 50 40 DDGB C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccncc1 4567644 XZIGXCWJSDGNOF-LDADJPATSA-N 308.345 1.757 50 40 DDGB O=C(CCl)N(Cc1ccccc1)C[C@H]1CCS(=O)(=O)C1 40177673 UEQVGBIUJKMSSB-CYBMUJFWSA-N 315.822 1.689 50 40 DDGB Cc1ccccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 12421669 HYHUPHNUSKANCY-GXSJLCMTSA-N 302.783 1.521 50 40 DDGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1[N+](=O)[O-] 231728 IDOBRCXUGNAUKX-LZYBPNLTSA-N 300.274 1.762 50 40 DDGB O=C(NNC(=S)NCc1ccco1)c1ccc([N+](=O)[O-])cc1 45344 ZREGEXQATOPLET-UHFFFAOYSA-N 320.330 1.497 50 40 DDGB C/C(CC(=O)N1CCOCC1)=N/NC(=O)c1ccc(Cl)cc1 101156009 GQDDALGZWYZETE-BOPFTXTBSA-N 323.780 1.695 50 40 DDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1 2754471 PSCLSDFADZHVQE-LFIBNONCSA-N 317.370 1.115 50 40 DDGB CS(=O)(=O)Oc1cccc(/C=N/NC(=O)c2ccncc2)c1 4526194 KZSBYFUTHRZVHH-MHWRWJLKSA-N 319.342 1.184 50 40 DDGB C[C@H](C(=O)NN=C1CCCC1)N(c1ccccc1)S(C)(=O)=O 408907472 OYOYGGNHAINVJL-GFCCVEGCSA-N 323.418 1.887 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccnn1C(F)F 252480443 CAFUHGSYKKSKKJ-PJQLUOCWSA-N 300.244 1.223 50 40 DDGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@@H]1c1ccc(O)cc1 5570125 KGRHWIGWTSSMDC-BREBYQMCSA-N 324.262 1.664 50 40 DDGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccc1F 102633218 XJYAPCCMUHIPKY-VDUILEQBSA-N 318.304 1.110 50 40 DDGB COc1c(Br)cc(C(=O)NN)cc1Br 6180406 HIEJKDMWEBZEOO-UHFFFAOYSA-N 323.972 1.824 50 40 DDGB CN(Cc1ccc(F)cc1F)C(=O)NNC(=O)c1cnccn1 12769876 GPXCAVMXAYOQCI-UHFFFAOYSA-N 321.287 1.241 50 40 DDGB NNC(=O)c1cnc(Cc2ccc(Br)cc2)nc1 226100567 QGJAIJGLQZTJFQ-UHFFFAOYSA-N 307.151 1.433 50 40 DDGB CCc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1463431 XNBPIEURJQVDLW-AAWPKVBNSA-N 318.398 1.459 50 40 DDGB CCCc1[nH]nc2c1[C@@]1(CC[C@H]3CO[C@H]1O3)C(C#N)=C(N)O2 100249628 OFMOODVUJLVUEI-UFTIBIJLSA-N 302.334 1.222 50 40 DDGB Cc1ccc(/C=N/NC(=O)c2c(Br)cnn2C)o1 482933 ONJNESGAVXCYDP-WLRTZDKTSA-N 311.139 1.848 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnc2nc(C)cc(C)n12 104803436 NHENHHAXKDDOKK-KTKRTIGZSA-N 302.363 1.159 50 40 DDGB COc1ccc(N2C[C@H](C(=O)NCCCCl)CC2=O)cc1 4731919 YNMSROCXZMUUHM-LLVKDONJSA-N 310.781 1.793 50 40 DDGB CC[C@H](C)C(=O)NNC(=O)c1cc(Br)cn1C 25610967 WUHPQBUNRVSGRL-ZETCQYMHSA-N 302.172 1.595 50 40 DDGB O=C(COCc1nc2ccccc2s1)NNC(=O)C1CC1 32740636 PUIMMIJIXMCRIS-UHFFFAOYSA-N 305.359 1.370 50 40 DDGB COc1ccc(OCc2cc(C(=O)NN)ccc2OC)cc1 224261145 MVVUMYRBSGTPCF-UHFFFAOYSA-N 302.330 1.886 50 40 DDGB N#CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 8237192 ZTFOEHNEOWLJRE-DKGMDFAASA-N 311.341 1.791 50 40 DDGB CSc1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)cc1 100380830 KEBODHOFIJPXJW-AAWHYMEISA-N 304.375 1.371 50 40 DDGB O=C(CCl)Nc1ccc(NC(=O)CN2CCOCC2)cc1 20280799 ABLSOKONMLXVMJ-UHFFFAOYSA-N 311.769 1.135 50 40 DDGB Cc1cc2c(c(=O)o1)[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 497511 FPLQLGSWZHRSPC-NSHDSACASA-N 315.241 1.668 50 40 DDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccco2)s1 59498753 CWBYLXHWRKEVGT-RIYZIHGNSA-N 321.362 1.563 50 40 DDGB Cc1c(C(=O)NN=Cc2ccc(O)cc2O)sc(N)c1C#N 408728941 BDHYIUWMFPNAKJ-UHFFFAOYSA-N 316.342 1.686 50 40 DDGB O=C1O[C@@H]2[C@@H](I)[C@H]3C=C[C@@H]4C[C@H]1[C@H]2[C@@H]43 43762140 VRDRMNZLCOLUNO-QREDYGCMSA-N 302.111 1.784 50 40 DDGB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1C 225500075 RRNVPHVTQPUXIQ-UHFFFAOYSA-N 319.386 1.708 50 40 DDGB Cc1nc(N)sc1C(=O)N/N=C/c1ccc(C(=O)O)cc1 143200 IMEMVIFLFSVDKJ-GIDUJCDVSA-N 304.331 1.496 50 40 DDGB C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccccn1 577810 UTVVHGTXJFTFLV-JTQLQIEISA-N 319.748 1.964 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2cccs2)c(OC)c1 320240 NBOZBUDZDDWNGF-UHFFFAOYSA-N 306.343 1.840 50 40 DDGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 6879425 VZMZBZDOVUHEPG-FRKPEAEDSA-N 313.741 1.031 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1cccc(OC)c1OC 6638479 KQGFQFXXCNOHIE-JLHYYAGUSA-N 304.346 1.763 50 40 DDGB CN(C)c1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 5686948 BIXFGPNTQCBXQM-UHFFFAOYSA-N 308.341 1.839 50 40 DDGB CC1CCN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)CC1 26467813 YCVXJSSDBWVHFZ-SAPNQHFASA-N 324.384 1.878 50 40 DDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccco2)cc1 1956123 YUYJVZJTDRLVLY-OQLLNIDSSA-N 321.358 1.017 50 40 DDGB CCCOc1ccccc1C(=O)NNC(=O)CCC(=O)OCC 12137223 WJWGYGBSQFWAHW-UHFFFAOYSA-N 322.361 1.580 50 40 DDGB CCNC(=S)NNC(=O)COc1ccc2c(c1)CCCC2 9304594 ZQQSPINVYAOCIJ-UHFFFAOYSA-N 307.419 1.459 50 40 DDGB O=C(NN=C1CCN(C(=O)C2CC2)CC1)c1cccc(O)c1 64306337 ATKIEBQJFYKXKN-UHFFFAOYSA-N 301.346 1.510 50 40 DDGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccco2)cc1 4079700 MQONFGCZDCYSDH-VCHYOVAHSA-N 315.329 1.097 50 40 DDGB CC1(C)[C@]2(C)CC[C@]1(C(=O)O)/C(=N\NC(=O)c1ccco1)C2=O 101331957 RXGOJSWRTDCFNS-YNHNMXGISA-N 318.329 1.845 50 40 DDGB COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)c(OC)c1 5526741 AFQHVENZMLHJQP-UKTHLTGXSA-N 302.330 1.470 50 40 DDGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NN 38440589 YOWLVTSHIQHLJH-LBPRGKRZSA-N 309.366 1.086 50 40 DDGB CC1=NN(c2ccc(C(=O)NNC(=O)c3ccncc3)cc2)CC1 44966030 UEDKCMQVSZUTPM-UHFFFAOYSA-N 323.356 1.742 50 40 DDGB COc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1 6816937 GTXZZASNTXHUQN-OBGWFSINSA-N 309.325 1.806 50 40 DDGB CC(C)c1ccc(NC(=O)C(=O)NN=C2CCN(C)CC2)cc1 59515727 RCKWZOJODTVFCR-UHFFFAOYSA-N 316.405 1.946 50 40 DDGB O=C(NNC(=O)c1ccc[nH]c1=O)c1cc2ccccc2cc1O 12752257 KTFYGKXMHYANAE-UHFFFAOYSA-N 323.308 1.309 50 40 DDGB CCOC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(OCC)c1 2768659 CLEOZQOUKYIPGT-KPKJPENVSA-N 318.329 1.419 50 40 DDGB CN(C)c1cccc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1 14622344 WVWRAECEIBXBBX-UHFFFAOYSA-N 318.764 1.876 50 40 DDGB CCOc1cc(/C=C(/C#N)C(=O)NCCCOC)ccc1O 16790712 WBTSUQQZPGGZAX-LCYFTJDESA-N 304.346 1.851 50 40 DDGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 5530797 QSZMVDRSXXXOES-JTQLQIEISA-N 300.705 1.641 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1cc(Cl)ccc1O 16694073 DSVGZXCBSQIVFG-POHAHGRESA-N 303.705 1.838 50 40 DDGB CCCCc1[nH]nc2c1[C@]1(CC[C@H]3CO[C@H]1O3)C(C#N)=C(N)O2 100249633 ZIIRVNKLEOBBRV-RWJJJZRFSA-N 316.361 1.612 50 40 DDGB C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)c1cccs1 100614071 SVSSZJSTXCTNDU-HPUUJOOBSA-N 309.391 1.539 50 40 DDGB CC[C@@H](NNC(=O)c1ccoc1C)C(=O)Nc1cc(C)on1 32853663 YNQWIZKVGOVZIC-LLVKDONJSA-N 306.322 1.536 50 40 DDGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccs1 3062181 LLEKUVXURGPEEZ-GZTJUZNOSA-N 301.371 1.557 50 40 DDGB CCCCS(=O)(=O)Nc1ccc(C(=O)NN)c(Cl)c1 4769128 FAWNPFHBYNTQRU-UHFFFAOYSA-N 305.787 1.485 50 40 DDGB CC(C)(C)c1ccc(/C=N/NC(=O)CC2=NNC(=O)C2)cc1 100074430 RPDXIIRGLVFRBW-LICLKQGHSA-N 300.362 1.700 50 40 DDGB Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC=CCC2)cc1C 71035623 QJWHQEMJMRVJJJ-ZDUSSCGKSA-N 315.373 1.746 50 40 DDGB O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccncc1 200988 YUJHEHUXEDCPEB-VCHYOVAHSA-N 307.313 1.011 50 40 DDGB C/C(CC(=O)NCC(C)C)=N\NC(=O)c1cccc(C)c1O 4904435 OGICWXBJWMTQPG-LDADJPATSA-N 305.378 1.969 50 40 DDGB N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccccc2)cc1 3277469 OPPKSRDRYQSVLE-DHZHZOJOSA-N 321.336 1.798 50 40 DDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CC=CCC2)cc1 27593651 XWPYOKYBTZHTDT-LLVKDONJSA-N 322.386 1.207 50 40 DDGB COc1ccc(C(=O)N/N=C(\C)c2c(O)cc(C)oc2=O)cc1 6201176 SKRAMZJDSJLHJN-LICLKQGHSA-N 316.313 1.816 50 40 DDGB O=C(/C=C/c1ccco1)NNC(=O)[C@H]1COc2ccccc2O1 6310427 KRNJUUGDCPPBEI-HSBSLETESA-N 314.297 1.280 50 40 DDGB CN1/C(=C(\C#N)C(=O)CN2C(=O)CCC2=O)Nc2ccccc21 11667327 YVZUJLKSNONCSG-MHWRWJLKSA-N 310.313 1.002 50 40 DDGB COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccccc1 4838849 WIWJWWRGGJMMOT-UHFFFAOYSA-N 313.313 1.095 50 40 DDGB NC(=O)C(=O)N/N=C1/CCCOc2c1ccc(Cl)c2Cl 84339167 QIMSUHXODMUQIJ-PXNMLYILSA-N 316.144 1.472 50 40 DDGB C[C@@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)NN 3374360 OGSKPTIRPJAMMI-ZCFIWIBFSA-N 316.235 1.569 50 40 DDGB CC(C)(CC(=O)NNC(N)=O)CC(=O)Nc1ccc(F)cc1 199409959 HTRRWMLYMBIVCH-UHFFFAOYSA-N 310.329 1.270 50 40 DDGB Nc1nnc(SCC(=O)N/N=C/c2ccc(F)cc2)s1 115377 QXYMQJRZEVZVEW-LHHJGKSTSA-N 311.367 1.502 50 40 DDGB NC(=O)[C@](O)(c1ccc(Br)cc1)C(Cl)Cl 1720481 DEDUXDGYCBWVLO-VIFPVBQESA-N 312.978 1.926 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnc(C)n1-c1ccccc1 104819831 RLKQDSLNRVHSHR-RAXLEYEMSA-N 313.386 1.993 50 40 DDGB O=C(NNC(=S)NCCCc1ccccc1)c1ccncc1 408588049 WPNFFIQYWWLVOP-UHFFFAOYSA-N 314.414 1.823 50 40 DDGB Nc1ccccc1C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O 32116974 JESSSGWLUZGABV-PXNMLYILSA-N 300.274 1.647 50 40 DDGB COc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 585402 NCNRVPNMCSXDNR-OQLLNIDSSA-N 303.274 1.889 50 40 DDGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C)[C@@H]2C1 4452975 MWXSBHNYIZBYRJ-MFKMUULPSA-N 311.345 1.421 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1 1573837 YGZDUIPRWHZLPN-VCHYOVAHSA-N 314.345 1.112 50 40 DDGB Cc1n[nH]c2c1[C@]1(C(=O)N2C)C(C#N)=C(N)Oc2ccccc21 4454280 ZRMQWJMSRRXIEJ-MRXNPFEDSA-N 307.313 1.067 50 40 DDGB Cn1/c(=N\NC(=O)CN2CCSC2=O)sc2ccccc21 105342872 ZVVXLZZVQVZSKQ-NTCAYCPXSA-N 322.415 1.341 50 40 DDGB COc1ccc(NC(=S)NNC(=O)c2ccccc2N)cc1 35618552 PMMVEXOURSLYCC-UHFFFAOYSA-N 316.386 1.909 50 40 DDGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccccc1F 59434082 FRKOFYJNOSBTSG-RQZCQDPDSA-N 301.277 1.620 50 40 DDGB CCNNC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 2364969 KFNHHZPVYBICQD-UHFFFAOYSA-N 306.312 1.841 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1ccccc1C(F)(F)F 19797814 GCSFEZHXVDOLLJ-GIJQJNRQSA-N 315.295 1.488 50 40 DDGB Cc1ccc([Si]23O[C@@H](C)CN(C[C@H](C)O2)C[C@@H](C)O3)cc1 195754827 RJYZTDRNUSJCCJ-SOUVJXGZSA-N 307.466 1.685 50 40 DDGB CCNC(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1 86567467 SZMOSQPJHZWMBR-UHFFFAOYSA-N 313.357 1.273 50 40 DDGB CCOC(=O)[C@@H](CCc1ccccc1)N1C(=O)OC(=O)[C@@H]1C 100621179 GFZFELCFSBCPDB-WCQYABFASA-N 305.330 1.918 50 40 DDGB CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)O)N1 19229972 AJWKBKOLUAZECZ-GFCCVEGCSA-N 319.342 1.279 50 40 DDGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1Cl 7783871 UCNGZGMZOKRNIC-CPWFCVNUSA-N 309.753 1.085 50 40 DDGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccncc1 409369417 NCLAXMSAQWBULU-XDHOZWIPSA-N 309.325 1.866 50 40 DDGB CCc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN)c1 225500270 HFPNFOARSGOYPF-UHFFFAOYSA-N 319.386 1.653 50 40 DDGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)NC1CCCCC1 3058054 GJQWVIZSWLZFEH-MHWRWJLKSA-N 318.333 1.494 50 40 DDGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)NC[C@H]1CCCO1 59434332 QLVOUBLBKAJKIZ-DQPIFXJKSA-N 317.389 1.407 50 40 DDGB O=C(NNC(=O)c1cccc(O)c1)Nc1ccc([N+](=O)[O-])cc1 4892443 RPZKLXKGQJZSQL-UHFFFAOYSA-N 316.273 1.767 50 40 DDGB CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)SC(N)=C2C#N 19852070 XDWOVIKQGCGBIX-UHFFFAOYSA-N 319.390 1.360 50 40 DDGB O=C(N/N=C/c1ccccc1O)C(=O)NC1CCCCCC1 409004552 DOBUTWMQMIWOGN-GZTJUZNOSA-N 303.362 1.681 50 40 DDGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c1 33296210 DCFSQBOSYWIPML-ODDCISTRSA-N 316.357 1.906 50 40 DDGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1cccc(N)c1 96519100 XENSMVVMZIVODH-ZJUUUORDSA-N 308.197 1.458 50 40 DDGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(C)C 4697813 FJUBYVAWYJLOIR-WOJGMQOQSA-N 319.361 1.935 50 40 DDGB COc1ccnc(NNC(=O)c2ccc(Br)o2)n1 46363267 PJAPYFFPLSYAFJ-UHFFFAOYSA-N 313.111 1.598 50 40 DDGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc1 2628021 XPPHXZXJALFBSJ-UHFFFAOYSA-N 313.288 1.537 50 40 DDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(O)c1 13724833 AQKAAYMTFSSNFY-ZDUSSCGKSA-N 312.281 1.056 50 40 DDGB CCOc1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1OCC 31937762 WKIFUNPVZHBRAD-BOPFTXTBSA-O 308.402 1.640 50 40 DDGB CC(C)=NNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 409117552 NPSDKMVEALTYLR-UHFFFAOYSA-N 301.343 1.104 50 40 DDGB CCCOc1ccc(CC(=O)NNC(N)=S)cc1Cl 20134133 VCTQCOXHJQDNKU-UHFFFAOYSA-N 301.799 1.536 50 40 DDGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccncc2)cc1 408877819 URHBQWZJGBTFQG-ZDLGFXPLSA-N 313.313 1.397 50 40 DDGB N#C/C(=C/c1ccc(N2CCCCCC2)o1)C(=O)NC(N)=O 409236895 GRGGTDHBYCEGSR-LUAWRHEFSA-N 302.334 1.762 50 40 DDGB C/C(=N/NC(=O)OC(C)(C)C)c1cccc(-n2cnnn2)c1 44867359 SDFZMACHKHECID-YBEGLDIGSA-N 302.338 1.911 50 40 DDGB CCCCCC1(CCBr)C(=O)NC(=O)NC1=O 1752212 MFVVZSCCIBNTIU-UHFFFAOYSA-N 305.172 1.704 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1)C(=O)NC1CCCCCC1 409006108 MBCCJKCXKJQNSS-GZTJUZNOSA-N 303.362 1.681 50 40 DDGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)CN1CCOCC1 408993099 CKDBTPFUBNWFSD-YVLHZVERSA-N 300.362 1.259 50 40 DDGB C[C@@H]1CN(CN2C(=O)C(=C(C#N)C#N)c3ccccc32)C[C@@H](C)O1 39379247 ZLKKIKGNBDIKNF-CHWSQXEVSA-N 322.368 1.901 50 40 DDGB CCOC(=O)Cc1csc(NC(=O)CBr)n1 2577576 WLMKBTXBDLLFDZ-UHFFFAOYSA-N 307.169 1.582 50 40 DDGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1 21632877 LRRABQPFAFITSX-UHFFFAOYSA-N 321.402 1.772 50 40 DDGB Cc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)o1 33936210 VNJZHALTQPWXQN-GOEBONIOSA-N 319.368 1.943 50 40 DDGB C[C@H]1C(C=O)=C(N)[C@@](C#N)(CC(=O)c2ccccc2)C1(C#N)C#N 22028208 FXFUNOQJMBGJLS-SJCJKPOMSA-N 318.336 1.864 50 40 DDGB Cn1cccc1C(=O)NNC(=O)c1cccc(Br)c1 14244367 AWFXUHXCEMIRAP-UHFFFAOYSA-N 322.162 1.862 50 40 DDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)Cc1ccc(F)cc1 12362370 OORAYGYRVNISOU-CXUHLZMHSA-N 320.284 1.060 50 40 DDGB CC[C@@H](CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 1827801 UKZIJCQGJUULLK-VIFPVBQESA-N 323.305 1.247 50 40 DDGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC 408758343 JBDYESGCCUEUPL-GXDHUFHOSA-N 316.357 1.860 50 40 DDGB CC(=O)/C(=N/N[C@@H]1C(Cl)=CC=C[C@H]1Cl)N1CCOCC1 96191874 PZQBRLXAILKVAB-PNALVJAUSA-N 318.204 1.479 50 40 DDGB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Cl 11848494 CPACQEBGTAEWGZ-UHFFFAOYSA-N 319.766 1.095 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NC(C)(C)C)c1 5284029 VPRWUHKBMAUPSI-CXUHLZMHSA-N 307.350 1.069 50 40 DDGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 4412269 QPRDKKXFWQCWNJ-RPJLVFAOSA-N 317.389 1.555 50 40 DDGB COCc1n[nH]c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 533606 JBJVECLZRUOPGG-LBPRGKRZSA-N 300.293 1.913 50 40 DDGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CC#N 4119007 WUYKPTOMTRAYQE-MHWRWJLKSA-N 303.322 1.805 50 40 DDGB COc1cc(/C=N/NC(=O)CCl)cc(Br)c1O 408880209 FCEFFBZOEGIYAU-WLRTZDKTSA-N 321.558 1.852 50 40 DDGB COc1cc(/C=N\NC(=O)Cc2cccn2C)cc(OC)c1O 32705931 OBRJFNREWZICLV-YVLHZVERSA-N 317.345 1.441 50 40 DDGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccc(Br)cc1 5350009 CNPGOUAPSYIURL-VGOFMYFVSA-N 323.150 1.571 50 40 DDGB O=C1O[C@@H](O)C(C(Br)Br)=C1Cl 6072492 QQUDLQFPDURWTO-SCSAIBSYSA-N 306.337 1.470 50 40 DDGB in-vitro CCc1noc(C)c1C(=O)NNC(=O)COc1ccccc1C 8186630 XVUWYBFPNLWHSK-UHFFFAOYSA-N 317.345 1.694 50 40 DDGB Cc1cc(C)nc(SCC(=O)NN=C2CCN(C)CC2)n1 59503026 MJEOVGWBSQKJIX-UHFFFAOYSA-N 307.423 1.383 50 40 DDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 59515586 YWSUIVNSHCXDAQ-OQLLNIDSSA-N 304.306 1.104 50 40 DDGB COc1cccc(C(=O)NNC(=O)c2cccn2C)c1OC 12991824 WAUXSLRCPRALBV-UHFFFAOYSA-N 303.318 1.117 50 40 DDGB CCNC(=S)NNC(=O)c1ccc(Br)cc1 5795353 INJFHLKWAWCOAO-UHFFFAOYSA-N 302.197 1.578 50 40 DDGB CC(C)(C)OC(=O)N1C[C@H](C(=O)NN)C[C@@H]1c1ccccc1 90613034 OGXXQNCHURBYLX-CHWSQXEVSA-N 305.378 1.975 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccn(C)n2)cc(OC)c1OC 132283 JFLQUGSLILCCKL-CXUHLZMHSA-N 318.333 1.210 50 40 DDGB Cc1nc2c(c(=O)n1NC(=O)CCl)[C@H]1CCCC[C@@H]1S2 17903238 WPJXFJRGSAPKJR-IUCAKERBSA-N 313.810 1.993 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@H](C)c2c(C)nn(C)c2C)s1 58859870 RRTQLPTYIDMZEZ-SECBINFHSA-N 320.418 1.972 50 40 DDGB COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccc(O)cc1 59472656 ALWALHWULNFKLL-UHFFFAOYSA-N 311.297 1.487 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)c1 408969374 MVLACTMFILMAPX-PBSOMRJOSA-N 303.362 1.616 50 40 DDGB C[C@H]1CN(CCNC(=O)/C(C#N)=C\c2ccco2)C[C@H](C)O1 69979826 WLMSYKBBTUHJJX-UYMCOASYSA-N 303.362 1.412 50 40 DDGB CCS(=O)(=O)[C@H](I)C(=O)C1CC1 96517979 XJAGJAFLNLQNIQ-ZETCQYMHSA-N 302.133 1.161 50 40 DDGB COc1ccc(/C=C2\S/C(=N\NC(C)=O)NC2=O)cc1OC 14162164 ROKMASQWEUCYMS-GHXNOFRVSA-N 321.358 1.315 50 40 DDGB COCC(=O)N/N=C(\C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C 5363817 GRDZWWLRWDMTKI-MHWRWJLKSA-N 322.321 1.370 50 40 DDGB CC(=O)NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 4179657 HNPLTQIJLJDVRJ-UHFFFAOYSA-N 309.325 1.322 50 40 DDGB CCOC(=O)N1CCC[C@@H](C(=O)NNc2nc(C)cc(C)n2)C1 12553814 PNRVNSJJDQUPSR-GFCCVEGCSA-N 321.381 1.405 50 40 DDGB Cc1ccc(C)c(NC(=O)C(=O)NN=C2CCN(C)CC2)c1 59516027 MVBQGPLIJJDHPB-UHFFFAOYSA-N 302.378 1.440 50 40 DDGB O=C(NNC(=S)NC1CC1)c1ccc(OC(F)F)cc1 2788459 YLEAFTAVZUGQOX-UHFFFAOYSA-N 301.318 1.559 50 40 DDGB Cc1ccccc1[C@H]1CC(=O)NC(SCC(N)=O)=C1C#N 9374896 FDAIJDULWTUROI-LLVKDONJSA-N 301.371 1.552 50 40 DDGB O=[N+]([O-])c1cc2c(cc1[C@@H](O)CBr)OCCO2 80340166 RSLHFPJTCMENQS-QMMMGPOBSA-N 304.096 1.794 50 40 DDGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1 408858079 JHGDGHUJEFRWCJ-RVDMUPIBSA-N 316.357 1.923 50 40 DDGB C[C@]12CC[C@H](C(=O)OC1=O)[C@@]2(C)CI 95686636 CLQHFGNWUFISQU-WHFVKQHSSA-N 308.115 1.927 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1nn(C)c(C)c1Cl 252511119 ZUNCWYIXBAGZLV-PJQLUOCWSA-N 312.736 1.327 50 40 DDGB NC(=S)N/N=C1/[C@@H]2[C@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@@H]3[C@H]12 261361247 WDKGDSOBYBOGRK-WAHGRJBXSA-N 312.236 1.327 50 40 DDGB Cc1cccc(C(=O)N/N=C/c2ccc3c(c2)n(C)c(=O)n3C)c1 210373 DKMFBJUHEGSTHV-YBFXNURJSA-N 322.368 1.949 50 40 DDGB O=C(CCl)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 13036701 ABGABIYFFNZIKQ-UHFFFAOYSA-N 321.699 1.030 50 40 DDGB COCCCNC(=O)C(=O)N/N=C/c1cccc2ccccc12 5511613 TVMLMXAWHOLKTK-XDHOZWIPSA-N 313.357 1.443 50 40 DDGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1ccncc1 5158539 HXTVXHNCQIMXPS-CAPFRKAQSA-N 301.305 1.870 50 40 DDGB C/C(CC(N)=O)=N/NC(=O)CCC(=O)Nc1cc(C)ccc1C 4523959 IHSNSZQDFGHRHM-UNOMPAQXSA-N 318.377 1.390 50 40 DDGB C/C(=N\NC(=O)CSCc1ccccc1)[C@H]1CCOC1=O 18193954 BMLJSRCMBNYRTR-KWWJGWKXSA-N 306.387 1.975 50 40 DDGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1ccccc1F 408944873 VXFSTUQHQFIDNF-QGMBQPNBSA-N 302.309 1.169 50 40 DDGB CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(N)=O)c2ccccc21 286338 GLTKTZQPYPCNRR-UKTHLTGXSA-N 324.384 1.902 50 40 DDGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2cncn2)cc1 547803 ZBVAYSNJQPIOGC-RQZCQDPDSA-N 300.366 1.275 50 40 DDGB COc1cc(/C=N/NC(=O)Cn2cncn2)ccc1OC(C)C 547496 KZXOSINTQNTUGU-REZTVBANSA-N 317.349 1.224 50 40 DDGB CC(=O)Nc1cc(C(=O)NN(C)C(N)=O)cc(C(F)(F)F)c1 95456391 GODLBQZHZSOAMX-UHFFFAOYSA-N 318.255 1.319 50 40 DDGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccco1 4194796 SBZCGRXWJNBLCN-UHFFFAOYSA-N 300.230 1.274 50 40 DDGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)NC(N)=O 4682289 AXZWYBZWMBXYCP-FLIBITNWSA-N 324.296 1.277 50 40 DDGB C=CCNC(=S)NNC(=O)[C@@H](CCCC)CC(C)(C)O 8828611 YVZKIPMDBVBONX-NSHDSACASA-N 301.456 1.635 50 40 DDGB NC(=S)N/N=C1\[C@@H]2[C@H]3[C@H]4[C@@H]5C[C@@H]([C@@H]14)[C@H]2[C@H]5[C@H]3Br 195528808 WDKGDSOBYBOGRK-VYRZDQQLSA-N 312.236 1.327 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 3172490 MOSZCGRZQAPLQB-NTUHNPAUSA-N 304.218 1.860 50 40 DDGB Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3CCOCC3)nc12 552757 HHTZOUQLVZYKFI-UHFFFAOYSA-N 321.340 1.270 50 40 DDGB COC(=O)[C@H]1C[C@@H](Cl)CN1S(=O)(=O)c1ccc(C)cc1 1393241 QKXMIDXDXYNUCI-ZYHUDNBSSA-N 317.794 1.538 50 40 DDGB CN(CCO)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1 6368709 WYXCFPOQXYNDGK-LDADJPATSA-N 313.357 1.585 50 40 DDGB COc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1C 9314094 VULUHXUBYNCIQL-XYOKQWHBSA-N 310.361 1.901 50 40 DDGB COc1ccc(N2C[C@@H](C(=O)NCCCCl)CC2=O)cc1 4731920 YNMSROCXZMUUHM-NSHDSACASA-N 310.781 1.793 50 40 DDGB CCOC(=O)/C(C#N)=C/NNC(=O)Cc1c[nH]c2ccccc12 7698272 HONAIELOFZYDAI-ZRDIBKRKSA-N 312.329 1.302 50 40 DDGB Cc1occc1C(=O)NNC(=O)c1cncc(Br)c1 8351178 VNXPOIHGAUKUKR-UHFFFAOYSA-N 324.134 1.820 50 40 DDGB O=C(/C=C/c1ccco1)NC(=S)NNC(=O)c1cccs1 5945184 WBYDOSGYQKQLSU-AATRIKPKSA-N 321.383 1.690 50 40 DDGB CCCCc1ccc(/C=N/NC(=O)c2c[nH]c(=O)[nH]c2=O)cc1 5298640 LZJNODQEZXWQST-GIJQJNRQSA-N 314.345 1.170 50 40 DDGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccnc1 5580015 KYDHMWGQNKMAFD-VXLYETTFSA-N 316.748 1.502 50 40 DDGB O=C(CCCc1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 9420975 WIWKTDKPWGOLHW-OLZOCXBDSA-N 315.822 1.530 50 40 DDGB COc1ccc(/C=N/NC(=O)c2cc[n+]([O-])cc2)cc1OC 3170039 ROIWDLPYBFZMSS-MHWRWJLKSA-N 301.302 1.101 50 40 DDGB C/C(=N\NC(=O)c1ccn(C)n1)C1=C(O)c2ccccc2C1=O 4067309 DWCBDDULTJVMBI-RQZCQDPDSA-N 310.313 1.691 50 40 DDGB O=C(NNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1 580897 IIKPQSKKAKIWNK-UHFFFAOYSA-N 310.762 1.963 50 40 DDGB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)Br)cc1 1713712 LFRMOCBJSLEJDB-QMMMGPOBSA-N 306.181 1.583 50 40 DDGB Cc1cccc(N2C[C@H](C(=O)NNC(=O)C3CC3)CC2=O)c1C 14290423 KAVGKJONZIBBEQ-CYBMUJFWSA-N 315.373 1.214 50 40 DDGB Cc1ncc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 16249873 XZAGRMREVXHWAM-MKMNVTDBSA-N 319.233 1.563 50 40 DDGB Cc1ccc(-c2nnc(CCC(=O)NNC(=O)C3CC3)o2)cc1 9752014 INWFNPOUFGSYFH-UHFFFAOYSA-N 314.345 1.535 50 40 DDGB COCCCNC(=O)CC(=O)N/N=C/c1cccc(Cl)c1 5511662 VFPFKCGIYBSKAZ-LICLKQGHSA-N 311.769 1.333 50 40 DDGB CC(=O)O[C@@H]1CN[P@@](=O)(N(CCCl)CCCl)OC1 1566972 RSGNOCXDOXSDGD-LZVRBXCZSA-N 319.125 1.426 50 40 DDGB O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1ccccc1O 4699157 BJESYNCHNWUIMD-VIZOYTHASA-N 317.257 1.476 50 40 DDGB O=C(COc1ccccc1)N/N=C/c1cccc2c1OCCO2 58915735 WYCDVKUOLCZCMZ-WOJGMQOQSA-N 312.325 1.987 50 40 DDGB CC(C)CCOC[C@@H](O)C[C@H](Cc1ccccc1)C(=O)NN 2274778 VKHAFAPXPMDLHZ-HOTGVXAUSA-N 308.422 1.649 50 40 DDGB Cc1cccc(O[C@@H](C)C(=O)N/N=C2\N=C(N)c3ccccc32)c1 16349783 LRASJQGCMQHOJL-LBPRGKRZSA-N 322.368 1.959 50 40 DDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/CCn2cccc21 84507304 XKTIQLQQRDAYJI-WJDWOHSUSA-N 314.301 1.699 50 40 DDGB Cc1cc(C)nc(NNC(=O)CSc2nc(C)cc(C)n2)n1 69486746 UIQJEGCQNTZRAE-UHFFFAOYSA-N 318.406 1.736 50 40 DDGB O=C(NNC(=O)c1ccccc1C(=O)O)c1ccccc1O 322007 TYWVFPTWGSRNAL-UHFFFAOYSA-N 300.270 1.165 50 40 DDGB CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)/C(C#N)=C(/C)N 104758506 CQDBFTXVBYLVIU-RAXLEYEMSA-N 315.329 1.436 50 40 DDGB COCC1=C(C(=O)OC)[C@@H](c2ccccc2)C(C#N)=C(N)O1 4476336 NXYMWLIXZXEJPR-ZDUSSCGKSA-N 300.314 1.568 50 40 DDGB NC(=S)N/N=C1\[C@H]2[C@@H]3C[C@H]4[C@H]2[C@H]2[C@@H](Br)[C@H]4[C@H]3[C@H]12 102972786 WDKGDSOBYBOGRK-MKDMSFCNSA-N 312.236 1.327 50 40 DDGB N#CCOc1ccc(/C=N/NC(=O)CC#N)cc1Br 4513406 FVHWVNBSAJVWOS-LZYBPNLTSA-N 321.134 1.715 50 40 DDGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C(C)C)[C@@H]2C1 20000820 BYUVHVMGKZIWCM-HUUCEWRRSA-N 309.373 1.447 50 40 DDGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c(O)c1 15938634 QDOXOIKLWUIFSV-IUXPMGMMSA-N 314.297 1.893 50 40 DDGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 408810418 PKBBKJUWIXTJOR-ZWSXMNCCSA-N 301.346 1.372 50 40 DDGB Cn1cc(Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 205677662 DEDXMDQKNDNIQL-NSHDSACASA-N 304.737 1.888 50 40 DDGB CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccc(N(C)C)cc1 9015625 WICKXWLROFVQRI-BPKVKKHESA-N 301.350 1.555 50 40 DDGB CC1(C)[C@]2(C(=O)NNC(=O)c3ccccc3)CC[C@@]1(C)C(=O)O2 2885124 CHTLQIFQGUUKDT-DLBZAZTESA-N 316.357 1.570 50 40 DDGB N#CCOc1ccccc1/C=N/NC(=O)[C@@H](O)c1ccccc1 59165644 NWYDWGMIHQSFAG-QUYZQLMHSA-N 309.325 1.773 50 40 DDGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1)OC2=O 100260604 CHTLQIFQGUUKDT-IRXDYDNUSA-N 316.357 1.570 50 40 DDGB CCC[C@H](CCC(=O)NNC(=O)c1ccc(O)cc1)C(=O)O 2377331 GDQHLJDOGQUMIR-LLVKDONJSA-N 308.334 1.434 50 40 DDGB O=C(CNC(=O)OCc1ccccc1)N/N=C/c1ccncc1 15228217 BCXVSADJSNORAO-VXLYETTFSA-N 312.329 1.458 50 40 DDGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccncc1 1293835 VGHGCPBFOIZCKX-SKCQWOFPSA-N 321.340 1.836 50 40 DDGB Cc1nc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)sc1C 575424223 TZXBEPGWCFJVKR-HTQZYQBOSA-N 323.827 1.286 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cn1 30802929 CDNJVKVBQFFOAC-PXNMLYILSA-N 300.274 1.768 50 40 DDGB CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O 4517048 KLBADWIYWMPYCS-GOSISDBHSA-N 321.336 1.490 50 40 DDGB C[C@]12CC[C@H]([C@@H](Br)C1=O)[C@@]2(C)CS(=O)(=O)O 2517031 MFEDKMBNKNOUPA-GTDKDYCYSA-N 311.197 1.643 50 40 DDGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)cc1 84387723 DYUVGHWPIOBRAS-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB COCCOC(=O)/C(C#N)=C\c1cc2c(cc1OC)OCO2 409066629 BCVBKHXQJCXKHR-WZUFQYTHSA-N 305.286 1.520 50 40 DDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)n1cc(Cl)cn1 252494119 NLNKKLOBFXBCCG-SDUWKLLGSA-N 312.736 1.429 50 40 DDGB O=[N+]([O-])c1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575419917 ARUWEFWHUSTPKG-QWRGUYRKSA-N 304.755 1.089 50 40 DDGB Cc1ccccc1[C@H]1CN(C(=O)C(Cl)Cl)[C@H](CO)[C@@H]1O 585295218 QNXGPRUGOZWPAX-IJLUTSLNSA-N 318.200 1.446 50 40 DDGB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Cl 11848492 DQUYFPSSTCRZEP-UHFFFAOYSA-N 303.767 1.859 50 40 DDGB CC1(C)[C@H](C(=O)NNC(=O)c2ccccc2)CC[C@@]1(C)C(=O)O 3176100 HBQJBQSDPNRNFQ-SJCJKPOMSA-N 318.373 1.975 50 40 DDGB O=C(CCN1CCOCC1)N/N=C/c1ccc2ncccc2c1 25326156 OJPGRRIKYIZEAJ-CPNJWEJPSA-N 312.373 1.407 50 40 DDGB NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 59165938 UYCVTQQGCKNHGN-DJKKODMXSA-N 315.304 1.454 50 40 DDGB C/C(=N\NC(=O)c1nn(C)cc1Cl)c1cc(O)ccc1O 5612662 MGGDPTZKGJKTKQ-VIZOYTHASA-N 308.725 1.639 50 40 DDGB COc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1O 3151377 PBTXYSBLHSMLJW-ADFUCPMPSA-N 300.314 1.585 50 40 DDGB O=C(NNC(=O)c1ccncc1)Nc1ccc([N+](=O)[O-])cc1 4778097 YWXMMKJTSMPIGS-UHFFFAOYSA-N 301.262 1.456 50 40 DDGB COc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1OC 59515316 BUYZBFJRVPWQLG-VCHYOVAHSA-N 321.377 1.316 50 40 DDGB O=C(Cc1ccccc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 6474840 JFXQLYPJDIRFNB-UHFFFAOYSA-N 324.296 1.610 50 40 DDGB C=CCNc1nnc2n1C[C@@H](CI)S2 45951891 ZTCMRRCADQLMKK-ZCFIWIBFSA-N 322.175 1.785 50 40 DDGB C[C@]12CC[C@@H](C(=O)OC1=O)[C@@]2(C)CI 100319133 CLQHFGNWUFISQU-JMOVZRAMSA-N 308.115 1.927 50 40 DDGB Cc1ccccc1N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 40177618 HVISZIUOENELDX-LLVKDONJSA-N 301.795 1.754 50 40 DDGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN)cc1 27883 WHDQNEBYBRVRJF-FOWTUZBSSA-N 324.384 1.513 50 40 DDGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 13331869 PPCSRTXHBDOEQX-LZYBPNLTSA-N 300.270 1.560 50 40 DDGB O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)OCc1ccccc1 169227743 SDLSNWISSFHCKT-MNOVXSKESA-N 303.767 1.317 50 40 DDGB Cc1ccc(OCC(=O)N/N=C\c2ccc[nH]2)c([N+](=O)[O-])c1 31870542 LJWRKKLLHLBURL-PXNMLYILSA-N 302.290 1.760 50 40 DDGB O=C(Cc1cccs1)NNC(=S)NC(=O)c1ccco1 2316325 JEYWKRHTAATREP-UHFFFAOYSA-N 309.372 1.219 50 40 DDGB CC(C)Oc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 59246473 CVYIUBHJQOMLIU-GZTJUZNOSA-N 305.378 1.256 50 40 DDGB CC(=O)/C(=N/N[C@@H]1C(Cl)=CC=C[C@@H]1Cl)N1CCOCC1 96191876 PZQBRLXAILKVAB-MEVQHSSJSA-N 318.204 1.479 50 40 DDGB CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)/C(C#N)=C/C(C)C 585288928 BTPLMEMQCIIYQR-CMOQBRTCSA-N 321.421 1.625 50 40 DDGB CCOc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1 7812057 OSBMKSXKFIDRMX-VCHYOVAHSA-N 315.329 1.445 50 40 DDGB CC1(C)[C@@]2(CBr)CC[C@@]1(C(=O)NCCN)CC2=O 103707944 SLJPYMKLSUONLE-QWHCGFSZSA-N 317.227 1.222 50 40 DDGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccncc1 59459607 AXYIOEDNSQDZCZ-VXLYETTFSA-N 316.748 1.502 50 40 DDGB NNC(=O)c1c(C(F)(F)F)nc2ccc(Br)cn12 95215873 JTUJXUJSRCMJAG-UHFFFAOYSA-N 323.072 1.719 50 40 DDGB O=C(N/N=C/c1cccs1)C(=O)Nc1ccccc1C(=O)O 226819644 ZAOHZQYCZAOANI-OVCLIPMQSA-N 317.326 1.535 50 40 DDGB CC1CCN(C(=O)[C@@H]2CCCN2C(=O)CBr)CC1 72207502 CCIDWZHUSUOTIA-NSHDSACASA-N 317.227 1.631 50 40 DDGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1O 305048 OGMMPGXTJDOMHS-GZTJUZNOSA-N 322.361 1.784 50 40 DDGB Cc1cc(C)n(CC(=O)N/N=C/c2ccccc2C(=O)O)n1 24038721 CZBCOCYYTMTLKI-LZYBPNLTSA-N 300.318 1.348 50 40 DDGB Cc1cc(C)nc(NNC(=O)[C@@H]2COc3ccccc3O2)n1 12755518 VVGQQIGNVHTOAL-ZDUSSCGKSA-N 300.318 1.377 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=N\NC(=O)c3ccccc3O)ccc21 409090711 NWNQAWVKSVHBFK-ZDLGFXPLSA-N 324.340 1.347 50 40 DDGB CC1=NN(c2ccc(C(=O)NNC(=O)c3cnccn3)cc2)CC1 44979644 WFFKXEHSQYAMKW-UHFFFAOYSA-N 324.344 1.137 50 40 DDGB O=C(NNC(=O)c1ccc2c(c1)OCCCO2)c1cccnc1 27634816 VHRDSLOYEUFBDK-UHFFFAOYSA-N 313.313 1.318 50 40 DDGB CCOC(=O)[C@](CC)(CCC(=O)O)C(=O)CBr 2322800 LRYOYMBBBCVNLC-LLVKDONJSA-N 309.156 1.775 50 40 DDGB Nc1nonc1C(=O)N/N=C\c1cc2c(s1)CCCCC2 5816132 YUVQRQRGKPDXSM-CHHVJCJISA-N 305.363 1.746 50 40 DDGB CC(C)CN1CC[C@H](C(=O)NNC(=O)c2ccccc2F)C1 79107543 UKUAFXYBJYDMJV-LBPRGKRZSA-N 307.369 1.565 50 40 DDGB O=C(CNC1CCCCC1)N/N=C/c1ccccc1[N+](=O)[O-] 409382196 YZVZUBNGVPPJIH-LICLKQGHSA-N 304.350 1.967 50 40 DDGB C[C@@]12CC[C@@H](C(=O)OC1=O)[C@]2(C)CI 245204224 CLQHFGNWUFISQU-QUNWWBBNSA-N 308.115 1.927 50 40 DDGB COc1cccc(/C=N\NC(=O)c2sc(N)nc2C)c1OC 13113969 ZSLHYHXQTPUMHR-APSNUPSMSA-N 320.374 1.815 50 40 DDGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1700951 IUISCMGJOKNHEL-UHFFFAOYSA-N 321.314 1.218 50 40 DDGB CSc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 4525701 PMHFMUXFIKCBKE-MHWRWJLKSA-N 305.403 1.917 50 40 DDGB Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccccc2)cc1 368052 CDPFGFNJBPSNMV-UHFFFAOYSA-N 320.370 1.384 50 40 DDGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 59434368 MDGUVNHPOLCMSV-UFWORHAWSA-N 315.295 1.928 50 40 DDGB O=C(NNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 12819814 KTKRQLHEYYKRJJ-UHFFFAOYSA-N 320.326 1.039 50 40 DDGB CCCCNC(=O)NNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 17066385 DEKDZSDPBQBIHH-UHFFFAOYSA-N 324.337 1.413 50 40 DDGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Br)s1 24306933 PBGRPUXTJKZSLW-WDSKDSINSA-N 303.181 1.928 50 40 DDGB Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c1 320584 ALHRZXOWQYZULE-UHFFFAOYSA-N 308.334 1.757 50 40 DDGB O=C1[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](F)([C@H]5I)[C@H]24 245284424 RUJMCBCIMWTKLD-CVJADEQESA-N 304.102 1.839 50 40 DDGB CC(C)(C)OC(=O)N/N=C1/C(=O)N(CC(=O)O)c2ccccc21 82814 VENKAHZHUPQEJB-FOWTUZBSSA-N 319.317 1.347 50 40 DDGB COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)NN)o2)c1 226302476 HEKPXDFOHYWEDY-UHFFFAOYSA-N 318.285 1.123 50 40 DDGB Cc1csc(CNC(=O)NNC(=O)c2cc(C)oc2C)n1 55067588 ITURPULNLLZLSA-UHFFFAOYSA-N 308.363 1.806 50 40 DDGB O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2[nH]cnc2c1 12601417 BKSQKLKIKNACIP-UHFFFAOYSA-N 312.304 1.706 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1sc2c(c1C#N)CCC2 100958849 NMTYZDWQSHVAGI-GHXNOFRVSA-N 324.365 1.901 50 40 DDGB O=C(NC(=S)NNC(=O)c1ccccc1O)c1cccs1 2316331 ALKDCROVEGPPNP-UHFFFAOYSA-N 321.383 1.403 50 40 DDGB O=C(CN1CCCCCC1=O)NNC(=O)c1ccccc1Cl 65513624 FSBSJGQVWFZULI-UHFFFAOYSA-N 323.780 1.504 50 40 DDGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 408804469 AEZZTPJCJWKIBR-CVCOIXHCSA-N 303.362 1.938 50 40 DDGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NNC(=O)c1ccco1)OC2=O 100260607 QNTLFFWGTNWGQT-HUUCEWRRSA-N 306.318 1.163 50 40 DDGB COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)NN)cc2)cc1 226365125 HECUZLGOPXFDRK-NYYWCZLTSA-N 312.325 1.918 50 40 DDGB COc1ccc(C)c2sc(NNC(=O)C3=COCCO3)nc12 251226 ZIJVPNZUKLWWJY-UHFFFAOYSA-N 321.358 1.945 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101811401 KYUFSQOANSYQJK-NAKRPEOUSA-N 320.370 1.340 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)c(O)c([N+](=O)[O-])c1 409033720 PCPVNVUXFBZVBA-VIZOYTHASA-N 319.273 1.974 50 40 DDGB CCn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2ccc(F)s2)n1 252503004 UXBOWGZEQJDNKJ-WLRTZDKTSA-N 311.298 1.776 50 40 DDGB COc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1O 238902 RDFDPHZXPHHQFY-LZYBPNLTSA-N 302.286 1.576 50 40 DDGB COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1OC 3024939 IKJYQECRTRIADB-YCPFAOKUSA-N 314.341 1.888 50 40 DDGB C[C@@]12OC(=O)[C@]1([C@@H](O)[C@@H]1C=CCCC1)NC(=O)[C]2CCCl 1560407487 GXKIKQOJDGFQKJ-GQANPOSXSA-N 312.773 1.091 50 40 DDGB CC(C)CC[C@](CCC(=O)O)(C(=O)NN)c1csc(N)n1 1746881 SJQRROJZPKYJQO-CYBMUJFWSA-N 314.411 1.254 50 40 DDGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1 59515477 SVYPVEBRTRTWBC-SRZZPIQSSA-N 324.384 1.972 50 40 DDGB CC(C)(C)CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 12757878 AONDCGFZYKWODH-UHFFFAOYSA-N 302.334 1.120 50 40 DDGB CC(C)CCOC[C@H](O)C[C@@H](Cc1ccccc1)C(=O)NN 2274775 VKHAFAPXPMDLHZ-HZPDHXFCSA-N 308.422 1.649 50 40 DDGB Cn1cccc1C(=O)NNC(=O)c1cncc(Br)c1 14171323 RGCJSDTXOUGANZ-UHFFFAOYSA-N 323.150 1.257 50 40 DDGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccccn2)cc1)C(=O)O 39557363 SYQCBMJWNJMVDS-HPAYWCODSA-N 313.313 1.697 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102197877 SRUGCRNUVIHRLB-NAKRPEOUSA-N 322.386 1.564 50 40 DDGB O=C(N/N=C/C=N/NC(=O)c1cccs1)c1cccs1 101654028 XDNVCJCDROKVEF-ACFHMISVSA-N 306.372 1.941 50 40 DDGB O=C(NNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 3358922 YALFNJSFNFXGBH-UHFFFAOYSA-N 323.352 1.888 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 247312 SERNKURKUSFCEA-OVCLIPMQSA-N 316.321 1.158 50 40 DDGB O=S(=O)(c1ccccc1)N1C[C@H]1CI 5048320 XZWLAXINCBWNPP-RZZZFEHKSA-N 323.155 1.495 50 40 DDGB CCOC(=O)[C@@H]1CCCC[C@]12C(C#N)=C(N)Oc1[nH]nc(C)c12 6530375 NSKNVWQOQRRIFW-MGPLVRAMSA-N 316.361 1.796 50 40 DDGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NC[C@H]1CCCO1 2682514 RWGKRJFRAYTNEE-XEVNVYFWSA-N 300.314 1.617 50 40 DDGB CCn1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1 371109 SQRZSDMYOGKXOB-CXUHLZMHSA-N 315.333 1.812 50 40 DDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 47295169 JYKRAAKXHWEEJM-OGBXBBOSSA-N 321.377 1.406 50 40 DDGB Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 1480491 WITQFAOGGNTWST-CYBMUJFWSA-N 324.296 1.810 50 40 DDGB NN(C[C@@H](O)COc1ccccc1)C(=O)c1ccccc1O 1569148 BWYYSYZFKKDWED-GFCCVEGCSA-N 302.330 1.148 50 40 DDGB COc1ccc(Cl)cc1C(=O)OCC(=O)/C(C#N)=C(/C)N 103130531 GZQFZOWRDUFIGH-FLIBITNWSA-N 308.721 1.831 50 40 DDGB CC1=C(C#N)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N1 14165599 QITHPVFXLNDYDX-LLVKDONJSA-N 300.274 1.467 50 40 DDGB Cc1ccc(/C=C/C(=O)NNC(=S)NC[C@H]2CCCO2)o1 2617916 GDIGCKUWGZQAND-NNNHXZLVSA-N 309.391 1.276 50 40 DDGB O=C(NNC(=S)NCCc1ccccc1)c1ccncc1 2784398 LUAHAGZJVNVXKX-UHFFFAOYSA-N 300.387 1.433 50 40 DDGB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(Cl)cc1 8990291 MESQTULSFGCGEM-NXEZZACHSA-N 308.186 1.474 50 40 DDGB CCn1ncc(/C=N/NC(=O)[C@@H](C)n2cc(Cl)cn2)c1F 252493889 NFYXCTGFMWOTHG-RNXHRXLVSA-N 312.736 1.603 50 40 DDGB N#C[C@H](I)CS(=O)(=O)c1ccccc1 1673424 HBXWJJCIVNSECK-QMMMGPOBSA-N 321.139 1.787 50 40 DDGB CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)C(=O)NN)N1 6754919 XSRBQUCCBHAQPW-DHDCSXOGSA-N 309.369 1.664 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)Cc1nc2ccccc2[nH]1 6967692 VITKXBYXMSOYOT-UHFFFAOYSA-N 314.370 1.937 50 40 DDGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(Cl)cc1 7782153 IKJMHADEUICEQM-VQGSWFTOSA-N 309.753 1.085 50 40 DDGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc(F)cc1 59434239 GAICBDSOEQVXBG-RQZCQDPDSA-N 301.277 1.620 50 40 DDGB O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 3885289 UHIJKXVJEIQICX-UHFFFAOYSA-N 302.783 1.648 50 40 DDGB O=C(CC1(C(=O)O)CCCC1)NNC(=O)c1ccc(F)cc1 13255373 WCSMLJZKHMBXLJ-UHFFFAOYSA-N 308.309 1.622 50 40 DDGB O=C(N/N=C/c1ccccn1)c1c(O)c2c([nH]c1=O)CCCC2 17179907 SHDAJMKLXPJXEV-GIJQJNRQSA-N 312.329 1.118 50 40 DDGB O=C(Cc1cccs1)NNS(=O)(=O)c1cccc(F)c1 8745683 KVFUTPYDORMATC-UHFFFAOYSA-N 314.363 1.439 50 40 DDGB O=C(C[C@@H](NCc1ccco1)C(=O)O)NNc1ccccc1 16778914 IDPHRXUYTBZUDY-CYBMUJFWSA-N 303.318 1.356 50 40 DDGB COC1=CC(=O)C(Cc2ccc(OC)cc2)=C/C1=N\NC(N)=O 17131254 BTTXVADYIIWKDL-QGOAFFKASA-N 315.329 1.301 50 40 DDGB O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)Nc1ccccc1 358749 ORQOZKVDQYLLTO-NWDGAFQWSA-N 305.334 1.730 50 40 DDGB COCCNC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl 23217240 LROWNZYRVPIWGR-UXBLZVDNSA-N 309.709 1.918 50 40 DDGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C(C)C)[C@H]2C1 804165 BYUVHVMGKZIWCM-GJZGRUSLSA-N 309.373 1.447 50 40 DDGB C/C(=N\NC(=O)c1cccs1)c1ccccc1OCC(N)=O 5517019 KAZQVTBZAWIDBJ-LICLKQGHSA-N 317.370 1.766 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)Cc3ccccc3)ccc21 409081161 NBKAWRFKKGQSNC-XDHOZWIPSA-N 322.368 1.570 50 40 DDGB CC1(CC(=O)N/N=C/c2cccc3c2OCCO3)OCCO1 44859829 SQCNEOYWGFKIJI-MHWRWJLKSA-N 306.318 1.061 50 40 DDGB COc1ccc(/C=N/NC(=O)CCc2c(O)n[nH]c2C)cc1O 529261 MVPADDGUHSHBKM-LZYBPNLTSA-N 318.333 1.221 50 40 DDGB Cc1c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(C#N)n1C 8108382 CHGFWDOHNGZARQ-LEKRSAHOSA-N 324.340 1.495 50 40 DDGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1 59333893 PEPRLLFCAFMAQV-LCYFTJDESA-N 302.330 1.624 50 40 DDGB CCOC(=O)CCCC/C(CCC(=O)OCC)=N\NC(N)=O 17380087 RJRIFRAWJHBRPE-LFIBNONCSA-N 315.370 1.478 50 40 DDGB Cn1nc(C(=O)N/N=C2\C[C@@H]3C=CC[C@@H]23)c2ccccc2c1=O 8341806 PSULSGMMPCSRPL-ZXOZMNBCSA-N 308.341 1.615 50 40 DDGB CCOC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 23241777 STIQXUICHOPDIT-SNVBAGLBSA-N 315.370 1.411 50 40 DDGB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Cl 35186613 NAORTZUFSKBTGE-MRVPVSSYSA-N 320.798 1.511 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccc(N(C)C)nc2)c(C)o1 28843835 BBHMYLQJSUDBES-UHFFFAOYSA-N 302.334 1.432 50 40 DDGB N#CC(C#N)=C(N)[C@]1(C#N)[C@H](c2ccc(F)cc2)C1(C#N)C#N 14944876 PTIYVEJBWWDVFV-CJNGLKHVSA-N 302.272 1.726 50 40 DDGB C#CCOOC(=O)NCCC[Si](OCC)(OCC)OCC 223725596 VGQDVUZNCPBVQY-UHFFFAOYSA-N 319.430 1.716 50 40 DDGB CCOC(=O)c1nc2c([nH]1)[C@H](c1ccoc1)C(C#N)=C(N)O2 5686423 QSFZHDOFGILVOD-SECBINFHSA-N 300.274 1.398 50 40 DDGB N#CC(C#N)=CNc1cccc(S(=O)(=O)N2CCOCC2)c1 5935598 GXLYRMMCXQVHQI-UHFFFAOYSA-N 318.358 1.050 50 40 DDGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccnc1 10040034 CIXPMOQUJRITDT-WOJGMQOQSA-N 324.296 1.766 50 40 DDGB NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1 83318268 DHSWRPZDLPQKIB-OCKHKDLRSA-N 315.304 1.454 50 40 DDGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)ccc1O 15226110 NETNVFHJCHFSNG-LICLKQGHSA-N 319.361 1.300 50 40 DDGB O=C(N/N=C/c1ccc(Br)cc1)c1cc[n+]([O-])cc1 3169947 SIXVGDIJTXVIOJ-OQLLNIDSSA-N 320.146 1.846 50 40 DDGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cs1 2743795 CZGFSPZQBIMQAG-QCZKYFFMSA-N 320.370 1.340 50 40 DDGB O=C(CCc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 13681900 WFIZRXAMFCBPJU-NWDGAFQWSA-N 301.795 1.140 50 40 DDGB Cn1nccc1C(=O)N/N=C/c1ccc(Br)cc1 256096 IEQHKAHGIPAXTN-RIYZIHGNSA-N 307.151 1.947 50 40 DDGB O=C(NN=C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885912 RJCSAROHASBNNH-UHFFFAOYSA-N 304.306 1.970 50 40 DDGB O=C(NNC(=S)NC(=O)c1cccs1)c1ccncc1 2697834 YWGZMWOMMMYIKN-UHFFFAOYSA-N 306.372 1.092 50 40 DDGB O=C1[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@](F)([C@H]24)[C@@H]5I 245284427 RUJMCBCIMWTKLD-IFDUBGLPSA-N 304.102 1.839 50 40 DDGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 525104 BJRNJCDWKOWTEM-UHFFFAOYSA-N 315.285 1.435 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2cccs2)[nH]1 104704454 VIOIVJPINRNUSY-FPLPWBNLSA-N 305.388 1.951 50 40 DDGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cnccn1 100931126 SIZFZZXBKNCGIT-KEBDBYFISA-N 315.308 1.750 50 40 DDGB O=C(NNC(=O)c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13939939 IUJSHEIAJVINLT-UHFFFAOYSA-N 320.217 1.171 50 40 DDGB Cn1nnnc1SCc1csc(/C=C(\C#N)C(N)=S)c1 8306823 MXQUFPBVQLSMIR-FPYGCLRLSA-N 322.444 1.757 50 40 DDGB CNC(=O)/C(C#N)=C\c1cccc(OC)c1O[C@@H](C)C(=O)O 409236787 FYBYAEOIPBZCDH-MKVDPYIPSA-N 304.302 1.200 50 40 DDGB COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1[N+](=O)[O-] 408727674 WYUNCMANDKVDLB-OQLLNIDSSA-N 323.305 1.207 50 40 DDGB O=C(Nc1ccc(F)cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 12421650 BYOJIEXCYQDFOQ-VHSXEESVSA-N 306.746 1.352 50 40 DDGB Cc1nn(C)cc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 371070 SGZKHIJRFAJTSU-OVCLIPMQSA-N 301.306 1.330 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nc2nc(C)cc(C)n2n1 104308216 HGMAJVJRYKBFFW-KTKRTIGZSA-N 302.363 1.159 50 40 DDGB CN(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccccc1 6545038 TYJUANLCQYEWIA-XNTDXEJSSA-N 321.358 1.050 50 40 DDGB C/C(CC(=O)NCc1ccccc1)=N\NC(=O)c1cnccn1 100541824 KHJPEUCJLQNUMH-UDWIEESQSA-N 311.345 1.289 50 40 DDGB O=C(CCN1CCCCC1)N/N=C/c1ccc2c(c1)OCO2 3206681 LPOIXOYXIFXPKE-GZTJUZNOSA-N 303.362 1.741 50 40 DDGB O=C(Cn1cnc2ccccc21)NNC(=O)c1cccc(O)c1 9515291 QGEFRIRGQVJRRO-UHFFFAOYSA-N 310.313 1.203 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(O)c1 357967 WPCCATDDRFVPFL-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB O=C1C[C@@]2(C(=O)O)C[C@H]3C[C@H]2[C@H](O1)[C@@H]3I 104157102 FMHLUZHACOSQIL-OQARPFGNSA-N 322.098 1.216 50 40 DDGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc[n+]([O-])c1 12060886 MPEYOXNEJLKNBP-UHFFFAOYSA-N 321.336 1.477 50 40 DDGB N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(N)=O 409153749 MLLNHGVNXFTKRN-UKTHLTGXSA-N 322.368 1.656 50 40 DDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 408970910 APOPGQNVJFNUPA-JSJZUPIVSA-N 307.350 1.069 50 40 DDGB O=C(Nc1ccc(F)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 12421652 BYOJIEXCYQDFOQ-NXEZZACHSA-N 306.746 1.352 50 40 DDGB CN(C)CN1C(=O)/C(=N\NC(=O)c2ccco2)c2ccccc21 20150170 WEWHEQDTTFXQCQ-VKAVYKQESA-N 312.329 1.279 50 40 DDGB O=C1NCCC[C@H]1C(=O)N/N=C/c1cccc(Br)c1 236637 ZLEGOFLLWLFJBV-FNQVVVRFSA-N 324.178 1.425 50 40 DDGB COCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3059925 XOWPOEACMAXSFH-FRKPEAEDSA-N 318.160 1.206 50 40 DDGB Cc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])c(O)c2)cn1 38193230 XHRPJLSWTBNHDW-APSNUPSMSA-N 300.274 1.768 50 40 DDGB Nc1ncnc2[nH]c(/N=N\N(CCCl)CCCl)nc12 104376528 CQQUXVSSOPAOIS-ZCXUNETKSA-N 303.157 1.713 50 40 DDGB Cc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1[N+](=O)[O-] 408719381 DCHVBODXUXOYOH-MHWRWJLKSA-N 304.350 1.839 50 40 DDGB O=C1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@H]1[C@@](F)([C@@H]42)[C@@H]5I 195528795 RUJMCBCIMWTKLD-JDHLIKQLSA-N 304.102 1.839 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccc([S@](C)=O)cc2)c(C)o1 60749051 UVIYYHCKJZEVLC-JOCHJYFZSA-N 320.370 1.709 50 40 DDGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 241035 IOPZVJITKGRQLJ-UHFFFAOYSA-N 301.327 1.070 50 40 DDGB COc1ccc([C@@H](C#N)N2CCN(C(=O)CCl)CC2)cc1 12505148 CGOHNOHJTOYYLD-CQSZACIVSA-N 307.781 1.643 50 40 DDGB COc1cc2nc(CCl)n(CC(C)=O)c(=O)c2cc1OC 2650108 KFPGUOHENQBQBS-UHFFFAOYSA-N 310.737 1.742 50 40 DDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cc2cccn2C)c1C 9058047 JUJFLEOENSQRHS-UHFFFAOYSA-N 316.361 1.176 50 40 DDGB Cc1cc(C)nc(NNC(=O)c2n[nH]c(=O)c3ccccc23)n1 14511595 UIZRAKPRIDHZTQ-UHFFFAOYSA-N 310.317 1.087 50 40 DDGB O=C(NC[C@]12CC[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)Nc1ccccc1 100396663 GMFKDZWBQYWUSG-OVZMXSCWSA-N 316.313 1.055 50 40 DDGB CCOC(=O)c1cnn(C)c1NC(=O)[C@H](Br)CC 41181207 FAJZZPVEBNJCTC-MRVPVSSYSA-N 318.171 1.709 50 40 DDGB CC[C@H](NNC(=O)c1ccccn1)C(=O)Nc1cc(C)on1 14185261 HTNJDMTXWQUPOJ-JTQLQIEISA-N 303.322 1.030 50 40 DDGB CNC(=O)/C(C#N)=C\c1cccc(OC)c1O[C@H](C)C(=O)O 409236783 FYBYAEOIPBZCDH-MDXIRLPMSA-N 304.302 1.200 50 40 DDGB COc1ccc(CN2CCN(C(=O)CCl)CC2)cc1F 20268165 VAHYYWHYXSRSJT-UHFFFAOYSA-N 300.761 1.717 50 40 DDGB N#CCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 408883324 PFNNKDTUZXOUET-LDADJPATSA-N 300.362 1.525 50 40 DDGB NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1cccs1 13138709 VUSURLYJKKYVKJ-SDXDJHTJSA-N 313.338 1.839 50 40 DDGB CCCn1c(=O)c2c(nc3n(CCCl)c(C)cn23)n(C)c1=O 8704260 DTAJDJVQWQOIER-UHFFFAOYSA-N 323.784 1.107 50 40 DDGB CCOC(=O)N/N=C/c1cc(OC)c(OC(C)=O)c(OC)c1 3332689 FHAGQMNGYLIYEB-OVCLIPMQSA-N 310.306 1.709 50 40 DDGB Cc1cc(N2CCC[C@@H](C(=O)NN)C2)nc(-c2ccccc2)n1 223465727 MBQQKTVRPLFPFF-CQSZACIVSA-N 311.389 1.658 50 40 DDGB C=CCN1C(=O)/C(=N\NC(=O)c2cc(C)[nH]n2)c2ccccc21 101231304 UWPXHRDYSKPQQT-RGEXLXHISA-N 309.329 1.385 50 40 DDGB COC(=O)[C@@H](Br)[C@H](O)c1ccc(OC)c(OC)c1 1673143 RYYMZWXGKKBRNJ-WDEREUQCSA-N 319.151 1.674 50 40 DDGB Cn1c(O)c(C(=O)N/N=C/c2ccccn2)c(=O)c2ccccc21 1305099 VYKZFDLPAKGKRV-VXLYETTFSA-N 322.324 1.403 50 40 DDGB Cc1ccsc1/C=N/NC(=O)C(=O)NCc1ccncc1 58884590 ZMYIULLUHKWLFX-RQZCQDPDSA-N 302.359 1.218 50 40 DDGB O=C1C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C(=O)O1 100746742 TVSAEXGRAZBZBJ-WPVMNKCKSA-N 319.363 1.730 50 40 DDGB COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@H]1[C@H](Cl)[C@H](Cl)[C@H]21 102436083 VVNNZLSINMNERG-HGLBZRFASA-N 317.168 1.906 50 40 DDGB COc1ccc(CC(=O)NNc2ncnc3c2cnn3C)cc1 535297 JBFKCRXXLOOGKK-UHFFFAOYSA-N 312.333 1.058 50 40 DDGB CCc1nc([C@@H](C)NCC(=O)NNC(=O)c2ccco2)cs1 97112252 FOUBSNRIRZITKY-SECBINFHSA-N 322.390 1.410 50 40 DDGB CCn1c(=O)c2c(nc3n(CCCl)c(C)c(C)n23)n(C)c1=O 10104423 MFIFPHDZXLTDDN-UHFFFAOYSA-N 323.784 1.025 50 40 DDGB O=C(CC(=O)N/N=C/c1ccncc1)NCCc1ccccc1 59459625 VLRYWMTYWFUPMP-DEDYPNTBSA-N 310.357 1.281 50 40 DDGB NC(=S)NNC(=O)/C=C/c1cccc(Br)c1 62715371 OLIWMBSNMAXBHW-SNAWJCMRSA-N 300.181 1.327 50 40 DDGB O=C(Cc1ccccc1Cl)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 9420704 XMZBDCNBHGLVOV-GHMZBOCLSA-N 322.213 1.403 50 40 DDGB C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccco1 4824035 VYCPSBOVFGHJEV-VCHYOVAHSA-N 303.293 1.689 50 40 DDGB O=C(NNC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 8350312 JEQWNRPVUNVTSR-UHFFFAOYSA-N 306.325 1.947 50 40 DDGB NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 171733627 MICRWAPAFSXGFW-UHFFFAOYSA-N 309.322 1.230 50 40 DDGB O=C(OCCn1cnc2ccccc2c1=O)C(Cl)Cl 60017047 OCWIVVWRHNNHRK-UHFFFAOYSA-N 301.129 1.743 50 40 DDGB CC(=O)O[Si](OC(C)=O)(c1ccccc1)c1ccccc1 195764127 CNOSLBKTVBFPBB-UHFFFAOYSA-N 300.386 1.369 50 40 DDGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccncc1 260165 WCJOPQGURCPFAX-UHFFFAOYSA-N 319.748 1.883 50 40 DDGB COc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1OC 281984 UHWNXDVWITVWDF-UHFFFAOYSA-N 314.341 1.708 50 40 DDGB CN(C)P(=O)(NC(=O)c1nnc(-c2ccccc2)o1)N(C)C 102256992 SVGDDHRRZAGTSK-UHFFFAOYSA-N 323.293 1.698 50 40 DDGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c([N+](=O)[O-])cc1OC 59333486 NLTAFQZODZBIDA-YHYXMXQVSA-N 305.290 1.607 50 40 DDGB O=C(CC(=O)N/N=C/c1cccs1)NCc1cccnc1 59461595 YGOSYBNYSPCNTA-LICLKQGHSA-N 302.359 1.300 50 40 DDGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccccc1 4699493 DEADZLAWJHXDMU-LICLKQGHSA-N 311.297 1.474 50 40 DDGB COc1ccc(/C=N/NC(=O)Cn2ccnc2C)cc1OC 5999628 UQBUYPUAFQNPLW-RQZCQDPDSA-N 302.334 1.359 50 40 DDGB CC(C)(C)NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 5481418 PULBEJQJZQAANQ-VCHYOVAHSA-N 313.357 1.910 50 40 DDGB O=C(N/N=C/c1cccc(O)c1)c1ccc(-n2cnnn2)cc1 6652203 KIHTZGRDKMMALG-CXUHLZMHSA-N 308.301 1.132 50 40 DDGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1O 3062177 MZBGPLYNDHMCIU-XDHOZWIPSA-N 311.341 1.201 50 40 DDGB Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1 4713801 BKXVMHFLEDGORV-UHFFFAOYSA-N 303.343 1.456 50 40 DDGB O=C(CC(=O)N/N=C/c1ccc(F)cc1)NCc1cccnc1 59461573 SYDJLZSNJNLRDW-RGVLZGJSSA-N 314.320 1.377 50 40 DDGB COc1ccc(CC(=O)NNc2nc(C)cc(C)n2)c(OC)c1 13006329 XKXZCIFFYDNDHV-UHFFFAOYSA-N 316.361 1.796 50 40 DDGB Cc1[nH]c(C(=O)NNC(=O)C(C)C)c(C)c1C(=O)OC(C)C 9155907 AOSHXBJBOQWHOV-UHFFFAOYSA-N 309.366 1.614 50 40 DDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1O 6756646 MFAWGCNDDDVGIH-CYBMUJFWSA-N 312.281 1.056 50 40 DDGB Cc1cc2ncc(C(=O)NNC(=O)CC(F)(F)F)c(C)n2n1 521402318 RGYKODJTBJNYJH-UHFFFAOYSA-N 315.255 1.060 50 40 DDGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1ccccc1O 98028270 GVBMSSBRSKXXSH-NVNXTCNLSA-N 301.258 1.770 50 40 DDGB O=C(Cl)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 96345855 KOEHPQQOZZZTNT-SNVBAGLBSA-N 322.791 1.026 50 40 DDGB O=C(CSc1ncccn1)N/N=C/c1ccc([N+](=O)[O-])cc1 4566876 FNGMCLBNHWLAHE-LZYBPNLTSA-N 317.330 1.627 50 40 DDGB O=C(Cc1ccccn1)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 104449620 UYAIGYXRDRNKCA-HUUCEWRRSA-N 313.332 1.714 50 40 DDGB NNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 291641 DWHXJSQVZCYJHQ-UHFFFAOYSA-N 300.274 1.451 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCC1 59459711 CXIPTMHXKIQKMC-LFIBNONCSA-N 318.333 1.448 50 40 DDGB CCN1C(=O)/C(=N/NC(N)=O)c2cc(Br)ccc21 100192655 FJVSRZDUHANSCN-NTEUORMPSA-N 311.139 1.188 50 40 DDGB CNC(=O)/C(C#N)=C\c1ccc(I)o1 408760215 UPOOXJWQKVKRHS-XQRVVYSFSA-N 302.071 1.537 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)CC(=O)NC(C)C)c1 3057832 VSLJYKGPFPOHGG-CXUHLZMHSA-N 307.350 1.069 50 40 DDGB COc1cccc(/C=N/NC(=O)C[n+]2ccccc2)c1OC 1560317 YXFFHVLVBFOSSP-GZTJUZNOSA-O 300.338 1.142 50 40 DDGB Cc1nnc(NNC(=O)c2ccccc2OC(F)F)nc1O 23312176 VMAFZVFNJQHPRC-UHFFFAOYSA-N 311.248 1.244 50 40 DDGB C/C(=N\NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccncc1 6648044 RJGSONKPFYXAAT-VCHYOVAHSA-N 307.313 1.472 50 40 DDGB COc1cc(C(=O)N/N=C/c2ccccn2)cc(OC)c1OC 259322 BQJMXOLPDNLAPN-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1C(=O)O 319653 TYXKUVCGPNEMGE-DJKKODMXSA-N 322.324 1.885 50 40 DDGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(Br)cc1 5480592 GJOCJMKEUUMKMG-CXUHLZMHSA-N 324.178 1.592 50 40 DDGB O=C1NCCC[C@@H]1C(=O)N/N=C/c1ccc(Br)cc1 236626 MDKUBXMAHBZYSG-AXLKIAQESA-N 324.178 1.425 50 40 DDGB CC(=O)[C@]1(C)OC(N)=C(C#N)[C@@H](c2ccccc2)C1(C#N)C#N 50405 AZSBWFUUXLHAIJ-ZBFHGGJFSA-N 306.325 1.876 50 40 DDGB COCCCNC1=C(C#N)C(=O)N[C@H](c2cccs2)S1 20414028 NOMDHHAOZCDIQV-ZDUSSCGKSA-N 309.416 1.971 50 40 DDGB CC(=O)N[C@@H](C)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5860321 ZFWBGFQUZCHBJJ-JENXGELISA-N 321.421 1.265 50 40 DDGB Cc1cc(C)n(CC(=O)N/N=C/c2ccc(-n3ccnc3)cc2)n1 7900319 SPFJLOTXVHBZEE-VXLYETTFSA-N 322.372 1.836 50 40 DDGB C[C@@H](C(=O)NNC(=O)c1cccnc1)N1CCc2ccccc2C1 69813416 AXYNSNJOZNBHPV-ZDUSSCGKSA-N 324.384 1.289 50 40 DDGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)o1 377523 VACMFRKPXRQLDK-GFCCVEGCSA-N 300.270 1.252 50 40 DDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1 9235668 LAGJMECVGIMZSK-AWEZNQCLSA-N 309.325 1.910 50 40 DDGB COc1cc(Br)c(/C=C/C(=O)NN)cc1OC 216943430 JWMHZURIVRMNNF-ONEGZZNKSA-N 301.140 1.469 50 40 DDGB CN1C(=O)c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2C1=O 45958502 DPTFQPCRBBTOSR-SSDOTTSWSA-N 306.705 1.031 50 40 DDGB CC1(C)OB(c2ccc(C(=O)NCCCl)cc2)OC1(C)C 2297736040 PQRJVTDOMWQLBT-UHFFFAOYSA-N 309.602 1.954 50 40 DDGB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NNC(=O)c2cnccn2)o1 27132179 GSMACZHTGCQLSD-VSEZHWFZSA-N 312.329 1.667 50 40 DDGB CCN(CC)c1ccc(/C=N/NC(=O)CC2=NNC(=O)C2)cc1 100189590 QETIUNCROWXWGH-GZTJUZNOSA-N 315.377 1.249 50 40 DDGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1 3664796 VWCOINTWQDHSAH-XNTDXEJSSA-N 304.306 1.057 50 40 DDGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(N)=O)c2C)cc1 408935475 FPQVFUXVVTWJKN-GIJQJNRQSA-N 314.345 1.038 50 40 DDGB CCc1nc2ccccc2n1CC(=O)NNC(=S)NC(C)C 9466747 AMYZYFGCIWMVJW-UHFFFAOYSA-N 319.434 1.502 50 40 DDGB CC(=O)Nc1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 5685863 ZQKGCBAWGYIRAV-UHFFFAOYSA-N 322.324 1.731 50 40 DDGB Cc1ccccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 12421671 HYHUPHNUSKANCY-MWLCHTKSSA-N 302.783 1.521 50 40 DDGB NNC(=O)COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 148406 VKHDWCWFUWZEIZ-UHFFFAOYSA-N 319.748 1.961 50 40 DDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@@H]2C1 493748 SMXHNYSBQVUPQD-CVEARBPZSA-N 316.368 1.437 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 104517635 ZAGORLYQIMNFLP-YFHOEESVSA-N 323.692 1.730 50 40 DDGB COc1cccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c1 320599 GPRKQIWPRJPLNE-UHFFFAOYSA-N 324.333 1.458 50 40 DDGB O=C(CNC1CCCCC1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 409377285 HMNYAVHALWAGEP-RQZCQDPDSA-N 320.349 1.673 50 40 DDGB COCCNC(=O)/C(C#N)=C1\C(=O)N(C)c2ccc(Cl)cc21 61717832 LTNMPCKWCHDBEB-QBFSEMIESA-N 319.748 1.356 50 40 DDGB Cn1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)ccc1=O 44944790 STKKBSGJXLZLIM-UHFFFAOYSA-N 317.370 1.010 50 40 DDGB CC[C@H](NNC(=O)c1ccoc1C)C(=O)Nc1cc(C)on1 32853665 YNQWIZKVGOVZIC-NSHDSACASA-N 306.322 1.536 50 40 DDGB O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)c1ccco1 33028751 MGDVGJHZMIIVIF-GFCCVEGCSA-N 300.270 1.342 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)s1 84205189 NLTSAXSVBNPBBO-QWRGUYRKSA-N 304.375 1.355 50 40 DDGB O=C(N/N=C/[C@@H]1CC=CCC1)C(=O)N/N=C/[C@H]1CC=CCC1 13987508 UQXIGTNZDICMJB-GDNZEOJTSA-N 302.378 1.903 50 40 DDGB O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1cccnc1 18105912 WWCPZRRGMWMCJF-UHFFFAOYSA-N 300.705 1.821 50 40 DDGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 7869246 ILBSGKBKSUWSHM-WOJGMQOQSA-N 305.378 1.698 50 40 DDGB CCCN1C(=O)/C(=N/NC(=O)c2cc(C)n[nH]2)c2ccccc21 17028358 SFDIQUBNPXRAAG-XMHGGMMESA-N 311.345 1.609 50 40 DDGB CCn1ncc(Cl)c1C(=O)N/N=C/c1c(C)nn(C)c1F 252500348 SSRBKMXHGOHAGJ-PJQLUOCWSA-N 312.736 1.501 50 40 DDGB COCCOC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1 6209374 CQEFKGHBQNSURX-NTCAYCPXSA-N 316.357 1.620 50 40 DDGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C1CC1 2657819 PYSMGPGDORRFQZ-UHFFFAOYSA-N 302.252 1.642 50 40 DDGB C[C@H](CO)CO[P@@](=O)(N(CCCl)CCCl)N1CC1 1568574 CLGXZFXQSRZDPR-MGNBDDOMSA-N 319.169 1.835 50 40 DDGB COCCNC(=S)NNC(=O)c1ccc(-n2cccc2)cc1 6568963 AXRLKMPUSCYCFD-UHFFFAOYSA-N 318.402 1.233 50 40 DDGB CCCC[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1 2272577 ACGFKIPFYPFSGZ-MNOVXSKESA-N 310.350 1.958 50 40 DDGB CCOc1cccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c1 40549521 VNFVEVYXKDZTDB-XYOKQWHBSA-N 310.361 1.983 50 40 DDGB O=C(Cn1nnc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 251929 YAKMLEZMEIURBS-CXUHLZMHSA-N 324.300 1.490 50 40 DDGB CCCOc1ccccc1/C=N/NC(=O)CN1CCOCC1 408603030 PSXVJQXUUALNDV-SFQUDFHCSA-N 305.378 1.258 50 40 DDGB O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1 13264882 ZXQXEHDZFFHMCJ-UHFFFAOYSA-N 320.326 1.008 50 40 DDGB CCOc1ncccc1C(=O)NNC(=O)c1ccccc1F 8726686 UYQSCXZAFHXXLO-UHFFFAOYSA-N 303.293 1.694 50 40 DDGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccn2)cc1)C(N)=O 13945075 QCTSIFRMUDURLZ-UKTHLTGXSA-N 322.324 1.491 50 40 DDGB N#CC1=C(O)NC(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccc(F)cc1 4550986 DPZRRQFHMFMHPZ-GJZGRUSLSA-O 310.308 1.861 50 40 DDGB NC(=O)COc1ccc(/C=N\NC(=O)c2cccs2)cc1 33328250 YQSBBCSYFUBEBW-PXNMLYILSA-N 303.343 1.376 50 40 DDGB COc1ccc(/C=N/NC(C)=O)cc1I 59426204 JMQIGMRIKYBVMM-WUXMJOGZSA-N 318.114 1.770 50 40 DDGB Cc1nc(N)sc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 37866225 RXUJYAQCOGRQHI-MKMNVTDBSA-N 305.319 1.706 50 40 DDGB O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58884949 SDJRHINJDYRNOJ-MHWRWJLKSA-N 312.285 1.684 50 40 DDGB COCC(=O)NNC(=S)Nc1ccccc1C(F)(F)F 6397556 MTLUDQDEDJFPED-UHFFFAOYSA-N 307.297 1.669 50 40 DDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(N)=O)cc1OCC 408992265 SPTXKRKVXUPXEL-KPKJPENVSA-N 318.329 1.419 50 40 DDGB NNC(=O)c1c(Cl)cnc(OCC(F)(F)F)c1Cl 725343373 NMHFECFFTLOSBF-UHFFFAOYSA-N 304.055 1.933 50 40 DDGB CCC[C@]1([N+](=O)[O-])CC[C@@](C)(O)[C@H](/C(C)=N\NC(N)=O)C1 5731871 ZULOSMOAFIZNFR-WZPYQELNSA-N 300.359 1.397 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1cnc2ccccc2n1 104880012 QTDIREULWNXHRZ-UJSHDLROSA-N 322.324 1.512 50 40 DDGB Cc1ccc(S(=O)(=O)/C(C#N)=C\N2CCNC2=S)cc1 104303809 WYYSVFWOJYHYTE-XFXZXTDPSA-N 307.400 1.324 50 40 DDGB CCCCC(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 2064468 FAJDETCVQBTNNR-UHFFFAOYSA-N 324.362 1.421 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2cnc3ccccc3n2)cc1 14066983 YGIBHBWKICJQAM-UHFFFAOYSA-N 322.324 1.713 50 40 DDGB O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1cccs1 6786351 BOUSEECZHFJOMT-UHFFFAOYSA-N 305.315 1.660 50 40 DDGB COC(=O)NNS(=O)(=O)c1cc(Br)ccc1C 7418290 ZILWNILDGHDTBQ-UHFFFAOYSA-N 323.168 1.307 50 40 DDGB O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccncc1 7778509 XSBZBBPWZWVVEN-UHFFFAOYSA-N 318.333 1.170 50 40 DDGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cccc(Cl)c1 96927650 CMBCCHNYASNUFE-OMCISZLKSA-N 321.724 1.903 50 40 DDGB O=C(NNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1cc2c(s1)CCCCC2 40144725 CQBVTGIEAIEOBS-VHSXEESVSA-N 323.374 1.443 50 40 DDGB CCN1C(=O)/C(=C/NNC(=O)c2ccccc2)SC1=S 2223433 XPBWZOKRGSJONJ-NTMALXAHSA-N 307.400 1.643 50 40 DDGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/C(=O)O)cc1 2789314 HAJVNDSWFGLMLG-CMDGGOBGSA-N 320.345 1.151 50 40 DDGB O=S(=O)(c1ccccc1)N1CCO[C@@H]1CBr 34936167 OUUARBRVJWKCRV-SNVBAGLBSA-N 306.181 1.429 50 40 DDGB NNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1 225329877 PNRMSCFWBRXVOW-AWEZNQCLSA-N 315.304 1.223 50 40 DDGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1cccnc1 3186624 CYGJQSACMOPMFE-FBCYGCLPSA-N 324.262 1.412 50 40 DDGB O=C(C(Cl)Cl)N(Cc1n[nH]c(=O)[nH]1)c1ccccc1 101728348 QNVNFQBTIWBJHE-UHFFFAOYSA-N 301.133 1.435 50 40 DDGB COC(=O)CCc1ccc(NP(=O)(N2CC2)N2CC2)cc1 100393675 URCNTZFQUZVHPE-UHFFFAOYSA-N 309.306 1.943 50 40 DDGB CSCC[C@H](N)C(=O)N/N=C/c1cccc2cccnc12 2389208 NRWZTFDPUJHMEG-SGPNVBEDSA-N 302.403 1.765 50 40 DDGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCC(=O)O 408791238 XQGWXEUJBGAINC-SDQBBNPISA-N 318.329 1.590 50 40 DDGB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCl)cc1 9646796 ONRBIRIPRHONMI-UHFFFAOYSA-N 318.826 1.572 50 40 DDGB O=C(NNC(=S)NC(=O)c1ccccc1F)c1ccncc1 32118591 XFSBPPSSFNMMGK-UHFFFAOYSA-N 318.333 1.170 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1ccc(Cl)c(Cl)c1 39205432 MXGLJFUOMUWHCL-LZYBPNLTSA-N 316.188 1.776 50 40 DDGB C=CCNC(=S)NNC(=O)CNc1cccc(Cl)c1C 4619605 KVEKHBCLBZIWQL-UHFFFAOYSA-N 312.826 1.742 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102197873 SRUGCRNUVIHRLB-MMWGEVLESA-N 322.386 1.564 50 40 DDGB O=C1CC[C@]2(C[C@@H](Br)C(=O)c3ccccc32)C(=O)N1 1870389 WCPWFRUJLWZRLS-QMTHXVAHSA-N 322.158 1.711 50 40 DDGB Cc1occc1C(=O)NNS(=O)(=O)c1cc(F)ccc1F 8106996 WYLBRTYQYLMCDF-UHFFFAOYSA-N 316.285 1.490 50 40 DDGB CCOC(=O)NNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C 32893608 JFKGUGAJOGZLOP-GFCCVEGCSA-N 313.398 1.485 50 40 DDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccccc1F 320587 GNBPNTUUKIHSOK-UHFFFAOYSA-N 312.297 1.588 50 40 DDGB NNC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 1712192 XHBGHZUKMSXPKB-CKUJCDMFSA-N 308.337 1.584 50 40 DDGB CS(=O)(=O)[C@@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1 96517832 QEUCQNFRCDVRFZ-SECBINFHSA-N 322.136 1.543 50 40 DDGB Cc1cc(O)nc(NN2[C@@H](Cl)C(=O)[C@H]2c2cccc(O)c2)n1 16958244 GNCILFLYAWIQGW-DGCLKSJQSA-N 320.736 1.714 50 40 DDGB C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N/N=C/c1ccc(F)cc1 2785703 REAXKKZRPGXHCG-JIURPICXSA-N 319.296 1.717 50 40 DDGB CC(C)NC(=O)COc1ccc(/C=N\NC(=O)C(C)C)cc1 58883335 HQTKIHSCTGURJZ-MFOYZWKCSA-N 305.378 1.696 50 40 DDGB Cc1ccc(NC(=O)C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 1884909 JVLGMWWEHQHEHI-UHFFFAOYSA-N 322.324 1.406 50 40 DDGB NNC(=O)COc1ccc(-c2n[nH]cc2-c2ccccc2)c(O)c1 8997007 YEHPOBTVDHYBNU-UHFFFAOYSA-N 324.340 1.818 50 40 DDGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccncc1 258351 RCMQWLHJUGUWBQ-UHFFFAOYSA-N 307.712 1.878 50 40 DDGB NC(=S)NNC(=O)c1ccccc1-c1ccccc1C(=O)O 6568004 OIFPYJANQQNHQO-UHFFFAOYSA-N 315.354 1.530 50 40 DDGB O=C(NNC(=O)C1CCC1)c1nn(-c2ccccc2)cc1O 10159027 WUULOHFVCUXDDG-UHFFFAOYSA-N 300.318 1.139 50 40 DDGB Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC=CCC2)cc1C 71035625 QJWHQEMJMRVJJJ-CYBMUJFWSA-N 315.373 1.746 50 40 DDGB N#CC1=C(N)Oc2ncnc(O)c2[C@@H]1c1ccc2c(c1)OCO2 9419169 QAOLAKRTRAWYIL-LLVKDONJSA-N 310.269 1.129 50 40 DDGB COC(=O)[C@@H]1C(=O)NC(SC)=C(C#N)[C@H]1c1ccccc1F 79241 FHUHCQZJHOMTBM-NEPJUHHUSA-N 320.345 1.926 50 40 DDGB CCn1ncnc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253397007 FHKXTYRIDWUXDD-LBPRGKRZSA-N 313.361 1.749 50 40 DDGB O=C(CCc1ccccc1)O[C@@H]1CS(=O)(=O)C[C@H]1Cl 5900075 XCCQIGXXZKUQPW-VXGBXAGGSA-N 302.779 1.567 50 40 DDGB Cc1cc(C)c(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)cc1C 32261957 RSUNQZXKZKLBPE-LFAOLKIESA-N 302.374 1.951 50 40 DDGB N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1ccc(F)cc1 1248305 IABHHKCCEPVPIU-JTQLQIEISA-N 305.334 1.383 50 40 DDGB CCOC(=O)[C@H](C#N)/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 28294459 AWDPQXPRXVIFHO-ACLQVGRQSA-N 318.354 1.879 50 40 DDGB COC(=O)NNC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 5751208 IXICKUWOBPAPQO-UHFFFAOYSA-N 311.407 1.465 50 40 DDGB CC(C)NC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCO2 96663373 XEGXIBCICUUUTC-KMKOMSMNSA-N 303.274 1.755 50 40 DDGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)OC3)cc1OC 5918340 BQJSFFYUNFGLTE-ZDUSSCGKSA-N 314.297 1.322 50 40 DDGB COC(=O)C[C@H](Br)c1nc2ccccc2[nH]c1=O 16189730 IUIJNJHDDAJREC-ZETCQYMHSA-N 311.135 1.922 50 40 DDGB O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccc1F 7812942 LGWHJGIMNHCUQI-RQZCQDPDSA-N 301.277 1.620 50 40 DDGB ClC(Cl)c1nn2c(CN3CCOCC3)nnc2s1 102424975 MOTYXESDCRKILI-UHFFFAOYSA-N 308.194 1.494 50 40 DDGB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)[C@@H]2Br 2534403 XUJHKPSBHDQIOD-BRDIYROLSA-N 311.197 1.643 50 40 DDGB CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 95983224 ODHLSJWGAUVWOX-ZWNOBZJWSA-N 318.377 1.587 50 40 DDGB COc1ccc(/C(C)=N/NC(=O)CC2(C)OCCO2)cc1OC 408785143 YAZOGBMYZRDPAB-GZTJUZNOSA-N 322.361 1.697 50 40 DDGB NNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCCC1 223461181 UQOOTVSLZSAWQU-UHFFFAOYSA-N 315.352 1.877 50 40 DDGB CS(=O)(=O)[C@H](Br)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519018 CSQZUQOSJXSUJZ-IUCAKERBSA-N 324.152 1.394 50 40 DDGB Cn1ncc(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253403777 QKPZIWDSLWGBPM-LLVKDONJSA-N 304.737 1.888 50 40 DDGB NC(=O)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1cccnc1 5739493 JUNRIAVHBGRKJN-RMENWYJGSA-N 310.313 1.756 50 40 DDGB NC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 4676842 YQERVFOCEBZTQA-MHWRWJLKSA-N 319.342 1.457 50 40 DDGB O=C(O)CC1(CC(=O)NNC(=O)c2ccccn2)CCCCC1 7737313 HEKWPROAQFXUQC-UHFFFAOYSA-N 319.361 1.658 50 40 DDGB C=CCNC(=S)NNC(=O)[C@H](CCC(C)C)C[C@@H](C)O 8686387 SRBWVUFOJQUFHS-VXGBXAGGSA-N 301.456 1.491 50 40 DDGB C=CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1 209316730 XLHJDMTVOFMNMQ-ATVHPVEESA-N 303.362 1.034 50 40 DDGB Cc1ccsc1/C=N/NC(=O)CNC(=O)c1ccccc1 4086374 FLQAWALZRWKHRU-RQZCQDPDSA-N 301.371 1.937 50 40 DDGB CC1(C)[C@@]2(CBr)CC[C@@]1(C(=O)O)C(=O)OC2=O 103708034 NPZWOOZGEDGQLW-GHMZBOCLSA-N 305.124 1.342 50 40 DDGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1cccnc1 4423724 XHHQPNXCYHMEFS-SKCQWOFPSA-N 321.340 1.836 50 40 DDGB O=C(NNC(=O)c1ccc(Cl)cc1F)c1cnns1 81030403 BNTGCFSKPBROLL-UHFFFAOYSA-N 300.702 1.405 50 40 DDGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)o1 573527 MJWFVMWBPFCHLR-LZYBPNLTSA-N 302.286 1.815 50 40 DDGB CCOC(=O)C(=N\O)/C(C)=N/NC(=O)c1c(F)cccc1F 4535656 MFLXZWMOOJFDAE-VBQYLHGJSA-N 313.260 1.464 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(O)c1 409392523 QAFMVYKICFZDOE-CAOOACKPSA-N 314.297 1.893 50 40 DDGB CCOC(=O)NNC(=O)c1cnc(SC)n1-c1ccccc1 29709681 OKXDVYBUTOEQHH-UHFFFAOYSA-N 320.374 1.985 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc2c(c1)OCCO2 59069 VGORODBIIYMIHX-RQZCQDPDSA-N 314.297 1.633 50 40 DDGB COC(=O)NNC(=O)Nc1cccc(N2CCCC2=O)c1C 47844847 HXLIFDOXFYGTPB-UHFFFAOYSA-N 306.322 1.514 50 40 DDGB Cc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1)C(C#N)=C(N)O2 4851016 BOHOYRWTHZZYGX-OAHLLOKOSA-N 323.352 1.367 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccncc2)cc([N+](=O)[O-])c1O 34894994 GZHSOWPEJKLYGP-LZYBPNLTSA-N 316.273 1.468 50 40 DDGB COc1cc(S(=O)(=O)NCCCl)c(OC)cc1Cl 4557486 ZYMMZJMUSSYTSV-UHFFFAOYSA-N 314.190 1.874 50 40 DDGB Cn1cc(/C=C(/C#N)c2nc3ccccc3n2C)c(=O)n(C)c1=O 69815078 DIRNPNNUXPMNLI-FLIBITNWSA-N 321.340 1.035 50 40 DDGB N#C/C(C(N)=O)=C1/C(=O)N(Cc2ccccc2)c2ccccc21 409110871 AOKPVGSWUHVWEJ-PEZBUJJGSA-N 303.321 1.996 50 40 DDGB N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)NC1CC1 409195996 MCBGFWKRSJBPOX-YRNVUSSQSA-N 309.325 1.911 50 40 DDGB NNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1 223459582 OOMPUXCJXBMMLQ-UHFFFAOYSA-N 301.325 1.486 50 40 DDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccs1 5774781 FSURUQSBOPCXRA-NTEUORMPSA-N 323.399 1.177 50 40 DDGB CCNC(=S)NNC(=O)c1ccccc1Br 4599990 MTTDVHHUIJPWGZ-UHFFFAOYSA-N 302.197 1.578 50 40 DDGB CCc1nnc(SCC(=O)NNC(=O)c2ccccc2)o1 7604869 JBZUQBVIMWEHJY-UHFFFAOYSA-N 306.347 1.185 50 40 DDGB COc1cccc2c1NC(=O)/C2=N\NC(=O)c1cccc(F)c1 59472659 YGNUVTRREBKDFQ-UHFFFAOYSA-N 313.288 1.921 50 40 DDGB O=C(CCl)OC[C@H](COc1ccccc1)OC(=O)CCl 5774650 GRAMUYMFPHDNRJ-NSHDSACASA-N 321.156 1.998 50 40 DDGB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1 214518344 JGYNJJYAYAQZLW-UHFFFAOYSA-N 305.359 1.399 50 40 DDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 5413408 JUXCYYXXFPUDNX-WOJGMQOQSA-N 305.378 1.413 50 40 DDGB CCCN1C(=O)/C(=N\NC(=O)c2cc(C)[nH]n2)c2ccccc21 100700368 SFDIQUBNPXRAAG-RGEXLXHISA-N 311.345 1.609 50 40 DDGB Cc1ccc(OCCC(=O)NNC(=O)c2cnccn2)c(C)c1 40069424 ZYEBIZTXXBGLOU-UHFFFAOYSA-N 314.345 1.324 50 40 DDGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 3058094 HCTMSGGJQFDMIA-MHWRWJLKSA-N 307.350 1.022 50 40 DDGB C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1ccc(F)cc1 58009911 QAMPMQJGYGEIAD-GWCFXTLKSA-N 310.325 1.171 50 40 DDGB CCOc1cc2c(cc1/C=N\NC(=O)c1cccnc1)OCO2 409094223 CFENEMJSDLDXLN-NVMNQCDNSA-N 313.313 1.973 50 40 DDGB CCS(=O)(=O)[C@@H](I)C(=O)C(C)(C)C 96517976 PCUNAJMZCBBYTL-SSDOTTSWSA-N 318.176 1.797 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccncc2)cc1Cl 569106 FCJNQYVMADOZLR-UHFFFAOYSA-N 305.721 1.818 50 40 DDGB CC(C)(C)OC(=O)NNC(=O)c1ccc(N2CCOCC2)cc1 58255287 NKTBVKVXHAXQOS-UHFFFAOYSA-N 321.377 1.693 50 40 DDGB O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccccc1F 13250919 FENLWTQWGHCWEK-ZJUUUORDSA-N 306.293 1.254 50 40 DDGB CC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 5495350 TZKCCTJSQSJGHO-UHFFFAOYSA-N 318.160 1.879 50 40 DDGB Cn1cccc1C(=O)NNC(=O)c1cnc(C(C)(C)C)s1 67785331 VRIJWEFLRKMOOR-UHFFFAOYSA-N 306.391 1.854 50 40 DDGB CCN(CC)C(=O)/C(C#N)=C\c1cc(O)c(O)c([N+](=O)[O-])c1 35342784 JRURYQJSLYLRLN-YHYXMXQVSA-N 305.290 1.781 50 40 DDGB in-vitro COc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 40177587 MJUYHRPYFXWJIS-NSHDSACASA-N 317.794 1.454 50 40 DDGB CCOC(=O)N/N=C1/C[C@@H](C(=O)OC)CN1Cc1ccccc1 385866 UGWRTRVRVLGKAM-CLBVAXQTSA-N 319.361 1.741 50 40 DDGB CCS(=O)(=O)CCSSCCS(=O)(=O)CC 3161271 GZHPIBUXJXKKDN-UHFFFAOYSA-N 306.496 1.237 50 40 DDGB O=C(N/N=C/c1cnc(N2CCOCC2)s1)c1ccccc1 1386489 WCGWNZWYEZQGNK-GZTJUZNOSA-N 316.386 1.744 50 40 DDGB Cc1ccccc1C(=O)N1C[C@@H](C(=O)NN)Oc2ccccc21 225329792 YEESCWXQWDNHRW-HNNXBMFYSA-N 311.341 1.393 50 40 DDGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OC 3208930 OBXHIJPNZMCFDZ-FPYGCLRLSA-N 311.135 1.859 50 40 DDGB COc1cc(C(=O)NN)cc(Cl)c1OCc1cccnc1 226321255 IHHAFIMCWKNXGE-UHFFFAOYSA-N 307.737 1.926 50 40 DDGB O=C(CNC(=O)c1ccccc1)NN(CCCl)CCCl 1592363 MBKNSOUYKYMNIQ-UHFFFAOYSA-N 318.204 1.227 50 40 DDGB CN1CCC(=NNC(=O)C(=O)Nc2ccccc2Cl)CC1 59434394 UYKFEZVIPNNQTE-UHFFFAOYSA-N 308.769 1.476 50 40 DDGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCN)[C@@H](Br)C2=O 108624945 WVTMNZFGZQVCEF-ZEGGKSINSA-N 317.227 1.220 50 40 DDGB COc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1C(=O)NN 45957665 ZEIWYJYJYHOUGE-UHFFFAOYSA-N 308.338 1.443 50 40 DDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1C 5711559 GBEANVYROMYYCU-XNTDXEJSSA-N 302.294 1.301 50 40 DDGB Cn1nc(C(=O)N/N=C2\C[C@@H]3C=CC[C@H]23)c2ccccc2c1=O 8341803 PSULSGMMPCSRPL-LVOBAJNXSA-N 308.341 1.615 50 40 DDGB CC[C@@H](NNC(=O)c1cccs1)C(=O)Nc1cc(C)on1 40477341 SSVWRMUBARRCGZ-SECBINFHSA-N 308.363 1.696 50 40 DDGB NC(=S)N/N=C/c1ccc(N(CCF)CCCl)cc1 1644001 RYCJVAFPYAWTRR-CXUHLZMHSA-N 302.806 1.868 50 40 DDGB N#Cc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1 6448847 JLRGMGOMQCAYFU-UHFFFAOYSA-N 323.352 1.717 50 40 DDGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1ccccn1 8728728 ZBOPNOYKZBCJMX-UHFFFAOYSA-N 313.313 1.204 50 40 DDGB C/C(=N\NC(=O)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] 98055379 MANALJHVISBUHT-HPUUJOOBSA-N 306.322 1.797 50 40 DDGB COc1ccccc1CC(=O)NNC(=O)c1ccccc1O 9113727 WZQUFHSJSAHAFV-UHFFFAOYSA-N 300.314 1.405 50 40 DDGB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2[nH]c(CCl)cc(=O)c12 3888201 UMOZSRKMKGHSAM-SECBINFHSA-N 315.782 1.131 50 40 DDGB C/C(=N\NC(=O)c1ccncc1)c1cccc(-n2cnnn2)c1 5494694 LOWPJIQXYKIXMZ-WOJGMQOQSA-N 307.317 1.211 50 40 DDGB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1 255129 STYFFWFOANQIIX-UHFFFAOYSA-N 303.406 1.826 50 40 DDGB COc1ccccc1/C=N/NC(=O)CC(=O)NC1CCCCC1 335747 YKOARPAPKKJLLH-LDADJPATSA-N 317.389 1.984 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)C[C@@H](C)c2ccccc2)n1 6427458 XWEXAJWGJHLOHK-GFCCVEGCSA-N 314.389 1.841 50 40 DDGB O=C[C@@H](Br)/C=N/c1cnc(Br)cn1 100653266 JWUMMQZMFXYLLP-PQTNCHRFSA-N 306.945 1.904 50 40 DDGB in-vitro COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)s2)cn1 252485730 HCIDLUWAARFEOA-FRKPEAEDSA-N 322.321 1.380 50 40 DDGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccncc1 525185 UNISIRIZBFRQTP-LBPRGKRZSA-N 319.748 1.945 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1 59515313 KSMSHTOAVINQET-XDHOZWIPSA-N 317.389 1.864 50 40 DDGB O=S1(=O)C=C[C@H](NC(=S)OC[C@H](Cl)CCl)C1 59568581 PWIXRSZNYLLIAG-RQJHMYQMSA-N 304.220 1.034 50 40 DDGB CN1CCC(=NNC(=O)C(=O)Nc2cccc(Cl)c2)CC1 59515749 QIGSDGTWSYSYKX-UHFFFAOYSA-N 308.769 1.476 50 40 DDGB O=C(N/N=C1\C(=O)N(C2CSC2)c2ccccc21)C1CC1 223719362 QZMFILVDHIGLFZ-SSZFMOIBSA-N 301.371 1.379 50 40 DDGB CCOC(=O)/C(C#N)=C1/c2ccccc2C(=O)[C@@]1(Cl)C(N)=O 5492888 IGUXUWANHXBVPW-JQPIKURYSA-N 318.716 1.186 50 40 DDGB Cn1ncc([N+](=O)[O-])c1C(=O)N/N=C\c1cccc([N+](=O)[O-])c1 33348295 RDGWGPKADMPAKF-MLPAPPSSSA-N 318.249 1.000 50 40 DDGB O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)C1CC1 333574 SUTCSBHRLNLDON-UHFFFAOYSA-N 310.353 1.480 50 40 DDGB CC[C@@]1(c2ccccc2)C(=O)N(C)C(=O)N(CCCl)C1=O 2028754 JMVWNHINDBREEB-OAHLLOKOSA-N 308.765 1.994 50 40 DDGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(F)c1 3148484 OKLBNJCBKZJVGI-VCHYOVAHSA-N 315.304 1.923 50 40 DDGB O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)C(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2 108500492 OQLAOXNDCYBUFL-SSIAPFGASA-N 302.378 1.571 50 40 DDGB COCC1=C(C(=O)OC)[C@H](c2ccccc2F)C(C#N)=C(N)O1 4189082 GPVRVYYPEHBVLE-CYBMUJFWSA-N 318.304 1.707 50 40 DDGB CN(C)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)nn1 65589432 WRFZUUZYPQFLBV-UHFFFAOYSA-N 319.752 1.271 50 40 DDGB Cc1ccnn1CC(=O)N/N=C/c1ccn(CC(F)(F)F)n1 252497357 QEUAEZUPCCKRDE-OMCISZLKSA-N 314.271 1.101 50 40 DDGB Cc1ccc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)o1 539838 LKZCHKQPUGRMOP-MKMNVTDBSA-N 305.294 1.460 50 40 DDGB O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc(F)cc1 13255371 GDZJLJDFIWHGFT-NEPJUHHUSA-N 306.293 1.254 50 40 DDGB Cc1nc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)sc1C 575424232 TZXBEPGWCFJVKR-JGVFFNPUSA-N 323.827 1.286 50 40 DDGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@H]1c1ccccc1 5604289 ZXKXTOPNRNSCHI-CWSCBRNRSA-N 308.263 1.958 50 40 DDGB N#C/C(=C\N1CC(=O)NC1=S)c1nc2ccccc2s1 6576511 HXLOZSVDTXKSOU-SOFGYWHQSA-N 300.368 1.877 50 40 DDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@H]2C1 36006142 PZGOPBIQVXKEIF-HOTGVXAUSA-N 316.368 1.437 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(OC)c([N+](=O)[O-])c1 106586567 MAIYNDLDBXTBSC-XYOKQWHBSA-N 319.317 1.663 50 40 DDGB CC(C)CCN1C(=O)C[C@H](NNC(=O)c2ccc(F)cc2)C1=O 3375177 MQIOIOUAKXDEDV-ZDUSSCGKSA-N 321.352 1.234 50 40 DDGB O=C(CCC1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 6508039 DDRASJKHSQNLHY-HNNXBMFYSA-N 318.373 1.944 50 40 DDGB CCn1c(=O)c(/C=N/NC(=O)C(C)C)c(O)c2ccccc21 38180565 LUHXQFJKUFFTRO-RQZCQDPDSA-N 301.346 1.833 50 40 DDGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1 45954040 JVWBDGOUHXSHOA-LLVKDONJSA-N 308.765 1.642 50 40 DDGB CC[C@@H](CCC(=O)NNC(=O)c1ccccc1Cl)C(=O)O 2327966 NPKKAJXPCRLXDP-VIFPVBQESA-N 312.753 1.992 50 40 DDGB O=C(O)[C@H]1CC=CC[C@H]1C(=O)NNc1ncnc2ccccc12 3411379 ARBSLLIACCCKSF-MNOVXSKESA-N 312.329 1.740 50 40 DDGB CCn1c(C)nc2cc(C(=O)NNC(=O)[C@H]3CCCO3)ccc21 16501278 LKLNOCNBWMWZSX-CQSZACIVSA-N 316.361 1.305 50 40 DDGB NNC(=O)C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 71873560 BEZTZEFWEQDWCY-UHFFFAOYSA-N 322.718 1.960 50 40 DDGB C=CCNC(=S)NNC(=O)[C@H](CCCC)CC(C)(C)O 8828612 YVZKIPMDBVBONX-LLVKDONJSA-N 301.456 1.635 50 40 DDGB CC(=O)N/N=C1/NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 14162161 RKDPIYQSGLXRTI-WZUFQYTHSA-N 305.315 1.026 50 40 DDGB Cc1cc(C)nc(NNC(=O)Nc2ccc3c(c2)OCO3)n1 32870340 VXKLPNGSATWFMB-UHFFFAOYSA-N 301.306 1.971 50 40 DDGB O=C(Cc1ccccn1)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 104449623 UYAIGYXRDRNKCA-CABCVRRESA-N 313.332 1.714 50 40 DDGB O=C(NNC(=O)c1cc[n+]([O-])cc1)Nc1ccc(Cl)cc1 844802 LOLAFVLNZTXECN-UHFFFAOYSA-N 306.709 1.440 50 40 DDGB COc1ccccc1C(=O)N/N=C1/C(=O)N(C)c2ccccc21 100289167 PPXMZNAINLHHCU-OBGWFSINSA-N 309.325 1.806 50 40 DDGB C[C@@]1(NC(=S)OC(CCl)CCl)CCS(=O)(=O)C1 59568375 PIMYJERCUHCMEA-SECBINFHSA-N 320.263 1.301 50 40 DDGB COc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1 2742262 IMOLZXDDBCXULP-UHFFFAOYSA-N 305.378 1.901 50 40 DDGB CC(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1 8555289 VSGUFWJUGLBYOS-UHFFFAOYSA-N 318.377 1.922 50 40 DDGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2cccn2C)c(C)c1 21632825 DQSHVJPBMZBTJR-UHFFFAOYSA-N 321.402 1.574 50 40 DDGB CCOC(=O)C1=C(C(C)=O)[C@H](c2cccnc2)C(C#N)=C(N)O1 499627 DKONMJKMPGOTHK-CYBMUJFWSA-N 313.313 1.295 50 40 DDGB N[C@H](Cc1cccc(N(CCCl)CCCl)c1)C(=O)O 2038008 QDGAVODICPCDMU-GFCCVEGCSA-N 305.205 1.925 50 40 DDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 47295168 JYKRAAKXHWEEJM-OPLYUGDSSA-N 321.377 1.406 50 40 DDGB O=C(NNC(=O)c1cnc(-c2ccccc2)nc1)c1cccnc1 65551565 VLYNBUYPORWRPC-UHFFFAOYSA-N 319.324 1.613 50 40 DDGB COc1ccccc1/C=C/C=N/NC(=O)C[C@@H]1C(=O)NN=C1C 100315766 YVDZCMHQQSSSJZ-ZMCPMZNWSA-N 314.345 1.322 50 40 DDGB C[C@@](Cl)(CCl)C(=O)NCNC(=O)[C@](C)(Cl)CCl 1666957 OMSDDUZIPIHGHV-RKDXNWHRSA-N 324.035 1.649 50 40 DDGB COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)c(OC)c1 59502744 BKOLSJYOWAQRDC-MHWRWJLKSA-N 308.334 1.307 50 40 DDGB C/C(=N\NC(=O)c1ccc(C(N)=O)cc1)c1cc(O)ccc1O 13321403 SXWZKABJVDFRLS-GIJQJNRQSA-N 313.313 1.351 50 40 DDGB N#CC1(C#N)CC(C=O)=C(N)[C@]1(C#N)CC(=O)c1ccccc1 4813048 QPXHVKFCLYHZGX-QGZVFWFLSA-N 304.309 1.618 50 40 DDGB COc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)c(OC)c1 60512741 PBJXXBYWDDENRG-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB O=C(C[n+]1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 2705259 IVJHVCLTOWAJEH-FVKMJGKXSA-O 311.321 1.698 50 40 DDGB COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC 289036 KKGGZBFGTNLORF-MAUPQMMJSA-N 316.357 1.906 50 40 DDGB N#CC1=C(N)N(/N=C/c2ccco2)[C@H](c2ccco2)C1(C#N)C#N 1647959 MCFGKNDMYIOZSR-YYBSAPHASA-N 318.296 1.991 50 40 DDGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccncc1 4179729 ZXHKTVCZIFMSEU-LICLKQGHSA-N 313.317 1.820 50 40 DDGB O=C(N/N=C/c1ccccc1O)[C@H]1CC(=O)N(c2ccccc2)C1 409165084 SDQRMLJFANUDID-YRIIZNAFSA-N 323.352 1.895 50 40 DDGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(Cl)cc1 96927658 FODVJQOBUDDSHI-OMCISZLKSA-N 321.724 1.903 50 40 DDGB COc1cc(C(=O)NNC(=O)C2CCC2)cc(OC)c1OC 3559855 YDVJQFCEIJMTKF-UHFFFAOYSA-N 308.334 1.274 50 40 DDGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)C(C)C)cc1 4697771 YQBGDTFESRBJPK-LDADJPATSA-N 305.378 1.850 50 40 DDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1 2211958 XMCJBMMHBWNCCF-HNNXBMFYSA-N 323.352 1.921 50 40 DDGB Cc1ccsc1/C=C(/C#N)C(=O)NCCN1CCOCC1 33294532 CLPQIRPPGLXNOE-RAXLEYEMSA-N 305.403 1.412 50 40 DDGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)c1OC 5687107 AOUZEKSEYKBDAN-GFCCVEGCSA-N 312.329 1.954 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)c2)cc1 146542 DXYMPACHLVZBKP-UHFFFAOYSA-N 304.371 1.927 50 40 DDGB COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(OC)c1 1462466 KFKMMGHEWSUHPW-XETPBLJFSA-N 316.357 1.906 50 40 DDGB COc1ccc(C(=O)N/N=C/c2cccc(O)c2O)cc1OC 3241952 ZWPUVOMYHUKOKH-RQZCQDPDSA-N 316.313 1.879 50 40 DDGB CC(C)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl 9153912 SKDIQEGNXNADQC-UHFFFAOYSA-N 311.190 1.959 50 40 DDGB CC1=C(C(=O)NN)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 227149718 VIVRJLXNKWVOTE-CYBMUJFWSA-N 304.419 1.593 50 40 DDGB Cn1cccc1C(=O)NNC(=O)c1ccccc1Br 12998259 YKCHPNJMKBUOFE-UHFFFAOYSA-N 322.162 1.862 50 40 DDGB CCC1(CC)[C@H](O)NC(Br)=C(C#N)C1(C#N)C#N 19933579 XEVCKRIILARIFP-JTQLQIEISA-N 309.167 1.878 50 40 DDGB COC(=O)NNS(=O)(=O)c1cc(Cl)sc1Cl 32531996 ZWZKFDMRHDXWCN-UHFFFAOYSA-N 305.164 1.604 50 40 DDGB O=C(NNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1cc2c(s1)CCCCC2 40144720 CQBVTGIEAIEOBS-UWVGGRQHSA-N 323.374 1.443 50 40 DDGB COc1ccccc1OCC(=O)NNC(=O)c1cccs1 142648 IMYKQWRCRSFFBU-UHFFFAOYSA-N 306.343 1.597 50 40 DDGB O=C(NNS(=O)(=O)c1ccccc1)c1cc2c(s1)CCC2 12985578 ROLGJINZMDLSOE-UHFFFAOYSA-N 322.411 1.860 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(C)o1 5272303 CMEUMIMXGNTASU-UHFFFAOYSA-N 303.274 1.879 50 40 DDGB COC(=O)N/N=C/c1cc(Br)cc(OC)c1O 4671909 GOXVWWJIUSIIHL-LFYBBSHMSA-N 303.112 1.853 50 40 DDGB N#CCC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 5519150 YYZQJKZFJHZLOV-HEHNFIMWSA-N 318.336 1.967 50 40 DDGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 4839388 FORLCXQTZPZBDQ-WEKMIXOTSA-N 301.302 1.797 50 40 DDGB CCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 5610025 LXORQPODROVDLO-INIZCTEOSA-N 307.313 1.297 50 40 DDGB C/C(=N\NC(=O)Cn1cncn1)c1cccc(C(F)(F)F)c1 5725300 PPIATHDFZCHVEQ-DJKKODMXSA-N 311.267 1.837 50 40 DDGB O=C(N/N=C\c1ccccc1O)C(=O)Nc1ccc(F)cc1 17126185 QLSHZGQJRNOEGU-MFOYZWKCSA-N 301.277 1.620 50 40 DDGB O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1ccccn1 3356277 SVFNUUHDQDBJME-UHFFFAOYSA-N 309.281 1.263 50 40 DDGB O=C(Cc1ccccc1Cl)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9420703 XMZBDCNBHGLVOV-QWRGUYRKSA-N 322.213 1.403 50 40 DDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccs1 9453759 OYDCKMDGNLUOHZ-LLVKDONJSA-N 304.327 1.349 50 40 DDGB Cc1c(C(=O)N/N=C/c2ccncc2)sc2ncnc(N)c12 408973712 PNZDIAFGFXTUDN-KPSZGOFPSA-N 312.358 1.741 50 40 DDGB COC(=O)c1ccc(C=NNC(=O)c2ccn3ccnc3c2)cc1 725239946 LIVLTSRBFUYFJL-UHFFFAOYSA-N 322.324 1.885 50 40 DDGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc[n+]([O-])c1 3166287 KVSZXHDLHVQBJZ-OVCLIPMQSA-N 320.146 1.846 50 40 DDGB N#Cc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 225914 ZASFPGIDIGAIKL-RQZCQDPDSA-N 310.269 1.936 50 40 DDGB CCOC(=O)[C@@H](CCc1ccccc1)N1C(=O)OC(=O)[C@H]1C 100621175 GFZFELCFSBCPDB-DGCLKSJQSA-N 305.330 1.918 50 40 DDGB C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CN1CCCCC1 408719640 ILRCQWHJQRCLLT-XMHGGMMESA-N 316.405 1.993 50 40 DDGB O=C(NNC(=O)C1CC1)c1cc(Cl)c2c(c1)OCCCO2 14800661 ZRPQHUDOQMWEAS-UHFFFAOYSA-N 310.737 1.672 50 40 DDGB O=C(NN[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccccn1 15461098 IOSSOVICCFVCSD-MRXNPFEDSA-N 324.384 1.680 50 40 DDGB CCS/C(Nc1ccccc1C(=O)OC)=C(\C#N)C(N)=O 67172692 OCQDCNOOELXWOM-JLHYYAGUSA-N 305.359 1.859 50 40 DDGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(O)cc1 30735373 KLPMPPSIDXYJHK-AGBQMQEQSA-N 323.352 1.372 50 40 DDGB CC(C)(C)OC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4313579 YXMDUWDFWMSLPL-UHFFFAOYSA-N 317.323 1.313 50 40 DDGB Cc1cc(C)c(/C=C/C(=O)NNC(=O)c2cnccn2)cc1C 46569137 WBBFASPPHGRZSS-SNAWJCMRSA-N 310.357 1.876 50 40 DDGB CCS(=O)(=O)[C@H](Br)I 110763322 HSPNGVLNLQOPLN-GSVOUGTGSA-N 312.954 1.535 50 40 DDGB O=C(NC(=S)NNC(=O)c1cccs1)c1cccc(F)c1 32118924 HMKPHRGXFHYQAW-UHFFFAOYSA-N 323.374 1.837 50 40 DDGB COCc1[nH]nc2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 5042856 IJAAIKDWXHIRCZ-LBPRGKRZSA-N 300.293 1.913 50 40 DDGB NC(=S)NNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33621837 DHQPKMQCKBZEAD-UHFFFAOYSA-N 306.303 1.333 50 40 DDGB O=C1C[C@]2(C(=O)O)C[C@H]3C[C@H]2[C@H](O1)[C@@H]3I 104157097 FMHLUZHACOSQIL-VTODNAIBSA-N 322.098 1.216 50 40 DDGB COC(Cn1c(=O)c2ccccc2n2c(CCl)nnc12)OC 408712729 LMBDCBRKRRLMEP-UHFFFAOYSA-N 322.752 1.402 50 40 DDGB Cn1cc(Br)c(C(=O)N/N=C/c2ccc(O)cc2)n1 132366 BWMBLHXOOPGCKG-MKMNVTDBSA-N 323.150 1.652 50 40 DDGB N#C[C@@H](I)CS(=O)(=O)c1ccccc1 16889915 HBXWJJCIVNSECK-MRVPVSSYSA-N 321.139 1.787 50 40 DDGB COc1ccccc1CNC(=O)NNc1nc(C)cc(C)n1 31023783 PTKQGPNCTDRLDF-UHFFFAOYSA-N 301.350 1.928 50 40 DDGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3cnsn3)cc2C1 47816902 VMMXETMYXCLFTQ-ZETCQYMHSA-N 322.415 1.799 50 40 DDGB CC(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 58883193 LOUOGEZUWDHPKS-WQRHYEAKSA-N 317.389 1.984 50 40 DDGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)c1ccncc1 5255115 NMUCNNQHPBDBBR-YBFXNURJSA-N 312.329 1.569 50 40 DDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1 8972968 FWYHNPLLDBSAAT-LLVKDONJSA-N 318.354 1.637 50 40 DDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)nn(C)c1C 372366 HZCMUGSTNYDNLH-CQSZACIVSA-N 316.361 1.682 50 40 DDGB C[C@]1(NC(=O)OC[C@H](Cl)CCl)CCS(=O)(=O)C1 59568572 ZAPHEALQIYEHME-APPZFPTMSA-N 304.195 1.136 50 40 DDGB O=C(NNC(=O)c1cnn(Cc2ccccc2)c1)c1ccoc1 61500673 WOWPRCCQZDPGIC-UHFFFAOYSA-N 310.313 1.599 50 40 DDGB CCOc1cc(/C=N/NC(=O)OC)ccc1OS(C)(=O)=O 4525953 AFCWMIQDMTWLIE-MDWZMJQESA-N 316.335 1.114 50 40 DDGB COCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 16790704 DAJBIKWJIUJIQI-LCYFTJDESA-N 304.346 1.763 50 40 DDGB Cn1cccc1C(=O)NNC(=O)C1=NO[C@@H](c2ccccc2)C1 84321730 ZQRGAVOLNYSEMH-CQSZACIVSA-N 312.329 1.304 50 40 DDGB COc1ccc(/C=N/NC(=O)CN2CCCCC2)c(OC)c1 20248087 LENTYWVIDGAJIK-GZTJUZNOSA-N 305.378 1.640 50 40 DDGB NNC(=O)N/N=C/c1ccc(N(CCCl)CCCl)cc1 1598025 YJAKWYXLQXEFFP-CXUHLZMHSA-N 318.208 1.477 50 40 DDGB CCOC(=O)[C@@H]1CO[P@](=O)(N(CCCl)CCCl)N1 104187863 LCSKFSHPFAAHJP-ASCAZGACSA-N 319.125 1.426 50 40 DDGB CCOc1cc2c(cc1/C=C(/C#N)C(=O)OCCOC)OCO2 409095700 IINPJLWMQXCEPK-SDQBBNPISA-N 319.313 1.911 50 40 DDGB COc1cc(/C=N\NC(=O)COc2ccccc2)ccc1O 95935823 HNDWHEJMMPURII-YVLHZVERSA-N 300.314 1.930 50 40 DDGB Cc1ccc(NCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 17886824 MSNRMFGHVLDREJ-FXBPSFAMSA-N 322.368 1.904 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccccc1 550955 RFSJPRZOBLMLCJ-ZBQKXELDSA-N 305.315 1.840 50 40 DDGB O=C(O)CC[C@@H](Br)[C@H](Br)C(=O)O 1720121 NCYXNUHATKQYGV-WUJLRWPWSA-N 303.934 1.463 50 40 DDGB C=C(C)CNC(=S)NNC(=O)Cc1nc2ccccc2n1C 5266960 PGOOJDFQTIAGKC-UHFFFAOYSA-N 317.418 1.187 50 40 DDGB N#CC1=C(N)n2ncnc2N[C@@H]1c1cccc(Br)c1 18199261 RFSMELRENQXNGK-SNVBAGLBSA-N 317.150 1.858 50 40 DDGB CC1(CC(=O)N/N=C/c2ccc3c(c2)OCCO3)OCCO1 408821945 AHMRIOAQCSUIEH-MHWRWJLKSA-N 306.318 1.061 50 40 DDGB COc1ccccc1/C=C\C=N\NC(=O)Cc1cc(O)n[nH]1 5880542 AWIAZIZAZZORMD-MZENOTDRSA-N 300.318 1.482 50 40 DDGB COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1 7784628 HEEUVDQXHXULQU-RQZCQDPDSA-N 301.302 1.055 50 40 DDGB C/C(=N\NC(N)=O)[C@@]1(C)N(O)C(C)(C)C(c2ccc(C)o2)=[N+]1[O-] 7813281 CXWFAWRNHAIOTP-BRYYZUPOSA-N 323.353 1.131 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc[n+]1[O-] 44944072 NVHRKAZGNNSURD-UHFFFAOYSA-N 315.373 1.297 50 40 DDGB CCOC(=O)[C@@H](C#N)/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 28294461 AWDPQXPRXVIFHO-ZBQKXELDSA-N 318.354 1.879 50 40 DDGB Cc1c(/C=N\NC(=O)CN2CCOCC2)c2ccccc2n1C 59246516 ZTVUWBDCPJNLQV-WQRHYEAKSA-N 314.389 1.269 50 40 DDGB O=C(COCc1ccccc1Cl)NNC(=O)[C@H]1CCCO1 84505928 DEXHXCZKCWEQMB-GFCCVEGCSA-N 312.753 1.183 50 40 DDGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccn2)cc1)C(=O)O 39557364 SYQCBMJWNJMVDS-VDCVXVNISA-N 313.313 1.697 50 40 DDGB C/C(=N\NC(=O)CN1CCCCC1)c1ccc2c(c1)OCCO2 408719274 BDPYGMWNVUERCP-QGOAFFKASA-N 317.389 1.784 50 40 DDGB CCNC(=O)NNC(=O)COc1cccc(Br)c1 46705011 DERDMKPTTVUKPE-UHFFFAOYSA-N 316.155 1.178 50 40 DDGB Cc1nc2c(c(=O)n1NC(=O)CCl)[C@@H]1CCCC[C@@H]1S2 17903241 WPJXFJRGSAPKJR-BDAKNGLRSA-N 313.810 1.993 50 40 DDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1ccc(C)cc1 6212763 QWKUITGKMWJKQX-JYRVWZFOSA-N 310.313 1.497 50 40 DDGB Cc1nnc(NNC(=O)Cc2ccc(-n3cccc3)cc2)nc1O 47431858 TVNQENQBBKINQH-UHFFFAOYSA-N 324.344 1.362 50 40 DDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OC)cc1OC 7782467 UXTKLUGKOQUVGI-JSJZUPIVSA-N 307.350 1.069 50 40 DDGB Cc1cc(C)nc(NNC(=O)c2ccnc(-n3ccnc3)c2)n1 48316552 VJPCOAQPSNLYHC-UHFFFAOYSA-N 309.333 1.431 50 40 DDGB O=C(NNc1ncnc2ccccc12)[C@H]1CC=CC[C@H]1C(=O)O 3411373 ARBSLLIACCCKSF-WDEREUQCSA-N 312.329 1.740 50 40 DDGB CN1CCN(c2cc3[nH]c(O)nc3cc2NC(=O)CCl)CC1 408528572 HWWMYHAGBOXTRS-UHFFFAOYSA-N 323.784 1.198 50 40 DDGB Cc1cccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1 40177585 HOPBKRDOUBWLIO-LBPRGKRZSA-N 301.795 1.754 50 40 DDGB O=C(N/N=C\C(Cl)=C\c1ccccc1)c1ccc(=O)[nH]n1 16450787 RPKXEGNKWHLGBK-FXGONTJTSA-N 302.721 1.765 50 40 DDGB O=C(Cn1cnc2ccccc21)NNC(=O)NC1CCCCC1 3293514 SABZCCCXOUYUTA-UHFFFAOYSA-N 315.377 1.699 50 40 DDGB C[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)NN 3374358 OGSKPTIRPJAMMI-LURJTMIESA-N 316.235 1.569 50 40 DDGB O=C(CSc1nncs1)NNC(=O)c1cccs1 3446551 JWLYYWMJWRCABX-UHFFFAOYSA-N 300.390 1.153 50 40 DDGB C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1[N+](=O)[O-] 69417082 IZWUEYOHKCOUPF-WDEREUQCSA-N 309.322 1.622 50 40 DDGB CC1(C)[C@]2(C(=O)NCC(F)(F)F)CC[C@@]1(C)C(=O)OC2=O 8433258 GLOGKLLPPPTWTD-RYUDHWBXSA-N 307.268 1.561 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)CC2(C)OCCCO2)c1 408719045 HLQNXSXBRARIHF-GZTJUZNOSA-N 322.361 1.697 50 40 DDGB CN1C(=O)/C(=C(/C#N)C(N)=O)c2cc(Br)ccc21 409113151 DRSAMJKTXIGMRU-NTMALXAHSA-N 306.119 1.188 50 40 DDGB CCOC(=O)[C@@H](/C=C(\C#N)S(=O)(=O)c1ccccc1)C(C)=O 3055336 LXBXIELCTRUCCA-SSUFTNFISA-N 321.354 1.636 50 40 DDGB COc1cc(OC)c(/C=N/NC(=O)c2ccncc2)c(OC)c1 2358211 BCQROTLTENFYGQ-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB O=C(Cc1ccccc1)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 6880706 OXUPJKRDVRALEI-QWHCGFSZSA-N 302.330 1.044 50 40 DDGB Cc1cc(N2CCC(C(=O)NN)CC2)nc(-c2cccnc2)n1 223466529 OSPFYPKBQXKJHV-UHFFFAOYSA-N 312.377 1.053 50 40 DDGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1cccnc1 5054845 SCUYOJXQUICPJB-DEDYPNTBSA-N 310.357 1.546 50 40 DDGB CCCN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 18123167 YZGPJIRDSWHAEK-CYVLTUHYSA-N 308.341 1.972 50 40 DDGB Cc1cccc(/C=N/NC(=O)CNC(=O)c2ccco2)c1O 3080163 FQYVCBKDCSOTBX-CAOOACKPSA-N 301.302 1.174 50 40 DDGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccn1 3187758 BVTLHCHQSDLQJQ-FBCYGCLPSA-N 324.262 1.412 50 40 DDGB COc1ccc(CCCc2nnc(SCC(=O)NN)o2)cc1 83623 XSPAAFHBHAEWIX-UHFFFAOYSA-N 322.390 1.336 50 40 DDGB CCOC(=O)NNC(=O)NC1CCN(Cc2ccccc2)CC1 32779418 OUUPKIHIZXPZKR-UHFFFAOYSA-N 320.393 1.611 50 40 DDGB C[C@@H](Br)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 3157077 OSFLSJPDQHJIQQ-ZCFIWIBFSA-N 316.111 1.139 50 40 DDGB COCCNC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)s1 3262970 JSZNTSPZHICJKY-ZRDIBKRKSA-N 321.402 1.254 50 40 DDGB O=C(CN1CCCC1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1 4724268 CJOACMYCVMHBFD-LWOAUJEXSA-N 302.334 1.806 50 40 DDGB Cc1c([N+](=O)[O-])c(C(=O)N/N=C/c2ccc(F)s2)nn1C 252495731 OYDDNIXQZBNXJS-WLRTZDKTSA-N 311.298 1.601 50 40 DDGB COc1cc(OC)cc([C@@H]2SC(N)=C(C#N)C(N)=C2C#N)c1 126043 MMQHMELLFFCIGC-AWEZNQCLSA-N 314.370 1.922 50 40 DDGB O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ncccn1 4531723 KDFKAXZPDZEVJB-UHFFFAOYSA-N 318.318 1.016 50 40 DDGB C[C@@H](Sc1nnc(N)s1)C(=O)NNC(=O)c1ccccc1 7753544 MYKABKXNLVMTMM-SSDOTTSWSA-N 323.403 1.062 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Cl)cn1 16693936 BUMSAEWMLYHAKU-XFFZJAGNSA-N 302.721 1.869 50 40 DDGB CC(C)CC[C@@](CCC(=O)O)(C(=O)NN)c1csc(N)n1 1746885 SJQRROJZPKYJQO-ZDUSSCGKSA-N 314.411 1.254 50 40 DDGB Nc1c(C(=O)NNC(=O)c2ccccc2)cnn1-c1ccccc1 55104131 FQASQIGDNWHCJS-UHFFFAOYSA-N 321.340 1.529 50 40 DDGB CN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 13476632 PITZYHDWVUHILU-LWFDYCOSSA-N 309.325 1.217 50 40 DDGB O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1[N+](=O)[O-] 381549 AWXHDTIBYDGQLA-CXUHLZMHSA-N 324.300 1.490 50 40 DDGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 521690 BJUYLXSJJZDLJL-GFCCVEGCSA-N 324.340 1.405 50 40 DDGB CSc1nc(N)c(CN(CCCl)CCCl)c(=O)[nH]1 4622239 FWHPBRGHFGGWLE-UHFFFAOYSA-N 311.238 1.354 50 40 DDGB O=C(COC(=O)c1ccco1)NNC(=O)c1ccccc1Cl 8433688 GQJOOEXWTFVFPZ-UHFFFAOYSA-N 322.704 1.551 50 40 DDGB O=C(NNC(=S)NC(=O)c1cccnc1)c1ccccc1 2316637 DBLDQZLDQXLCJL-UHFFFAOYSA-N 300.343 1.031 50 40 DDGB CCC[C@@H]1[C@H]2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N 20000838 WYNSZOSOXLKGEO-LSDHHAIUSA-N 309.373 1.591 50 40 DDGB CNC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 6825834 STAVDOFMUDLPES-UHFFFAOYSA-N 301.799 1.461 50 40 DDGB Cc1ccc2c(c1)/C(=N/NC(=O)C1CC1)C(=O)N2C1CSC1 223722472 IHPMJINFYNCQPA-VKAVYKQESA-N 315.398 1.687 50 40 DDGB Cc1nc([N+](=O)[O-])cn1CC(=O)N/N=C/c1ccc(F)s1 252507850 WVBIJLFZEXJKAF-YIXHJXPBSA-N 311.298 1.451 50 40 DDGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc([N+](=O)[O-])o1 487126 KAVFVHLIXJFODC-FRKPEAEDSA-N 306.253 1.889 50 40 DDGB CCS(=O)(=O)[C@H](I)[C@@H](O)C(C)(C)C 96519298 ZGZNKALQWQOLOM-RQJHMYQMSA-N 320.192 1.589 50 40 DDGB O=C(Cc1ccccc1)NC(=S)NNC(=O)c1cccs1 6885059 NIDHZQBCEMEBQQ-UHFFFAOYSA-N 319.411 1.626 50 40 DDGB COc1cccc(/C=N/NC(=O)CC(=O)NC(C)C)c1OC 59515304 QCHOASWQPWTAGK-CXUHLZMHSA-N 307.350 1.069 50 40 DDGB N#CCn1cc(/C=C(/C#N)C(=O)N2CCOCC2)c2ccccc21 409379416 XDAZULGOTIWEPB-KAMYIIQDSA-N 320.352 1.931 50 40 DDGB Cc1cc(NC(=O)NNC(=O)COc2ccc(C)c(C)c2)no1 22091695 GUEFFMVFEPYZIF-UHFFFAOYSA-N 318.333 1.832 50 40 DDGB O=C(Cn1cncn1)N/N=C/c1ccc(Br)cc1 548395 IVDADZUUNHIOSN-LHHJGKSTSA-N 308.139 1.191 50 40 DDGB CCOC(=O)[C@@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccccc1 1602619 PBDNSVIBFFNKTR-UWVGGRQHSA-N 320.172 1.572 50 40 DDGB COc1ccc(/C=N/NC(=O)CC2(C)OCCCO2)cc1OC 408720168 YMBAAJTZGKVNGJ-GZTJUZNOSA-N 322.361 1.697 50 40 DDGB Cc1n(C[C@@H](O)CCl)c2ccccc2[n+]1C[C@H](O)CCl 500462 OFWSHZQCHDOJCQ-TXEJJXNPSA-N 318.224 1.437 50 40 DDGB N[C@@H](Cc1cccc(N(CCCl)CCCl)c1)C(=O)O 466 QDGAVODICPCDMU-LBPRGKRZSA-N 305.205 1.925 50 40 DDGB in-man Cc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)o1 494386 VNJZHALTQPWXQN-GDBMZVCRSA-N 319.368 1.943 50 40 DDGB O=C(CC(=O)N/N=C/c1ccccn1)NCCc1ccccc1 59516119 DRFBKMRGEAGLMK-DEDYPNTBSA-N 310.357 1.281 50 40 DDGB Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)CCl)cc21 408529985 IIQWXALFJPABRC-UHFFFAOYSA-N 322.796 1.655 50 40 DDGB O=C(NC(=S)NNC(=O)c1ccccc1F)c1cccnc1 4995625 MGALASWABIJHBB-UHFFFAOYSA-N 318.333 1.170 50 40 DDGB CCN(CC)c1ccc(/C=N/NC(=O)CC2(C)OCCO2)o1 408764235 LTPBVCYNCJFBGK-LFIBNONCSA-N 309.366 1.729 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(OC(C)=O)cc1 408796110 DRGIWHHFANNECC-GXDHUFHOSA-N 302.330 1.672 50 40 DDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccco1 408871682 ZYOIYHRTPUISMY-OVCLIPMQSA-N 319.273 1.969 50 40 DDGB O=C(CCl)N(c1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 40177643 KCZLDIVAMLZYDK-JTQLQIEISA-N 303.767 1.151 50 40 DDGB CCN(CC)c1nc(SC)nc2sc(C(=O)NN)cc12 223464492 PKOGGULBRQLBMN-UHFFFAOYSA-N 311.436 1.863 50 40 DDGB O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cccc[n+]1[O-] 53607418 MFHKQYDDJKBBIF-UHFFFAOYSA-N 321.336 1.477 50 40 DDGB Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)C2CC2)c1 2136034 PBEBCFQXCNGADO-UHFFFAOYSA-N 321.402 1.114 50 40 DDGB O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)NC1CC1 3664109 FYCFALDRGDAPCH-GIDUJCDVSA-N 300.145 1.722 50 40 DDGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C)[C@H]2C1 804072 MWXSBHNYIZBYRJ-GXFFZTMASA-N 311.345 1.421 50 40 DDGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1c(O)cc(C)oc1=O 5534520 UZZKOCXCNOJFJR-FBJMNJBLSA-N 316.313 1.228 50 40 DDGB N#CC1=C(N)N(/N=C/c2ccco2)[C@@H](c2ccco2)C1(C#N)C#N 1647957 MCFGKNDMYIOZSR-KLWSLPJISA-N 318.296 1.991 50 40 DDGB CCCCc1[nH]nc2c1[C@@]1(CC[C@H]3CO[C@H]1O3)C(C#N)=C(N)O2 100249635 ZIIRVNKLEOBBRV-BNGAFQBXSA-N 316.361 1.612 50 40 DDGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1ccc(O)cc1O 100571744 JFAPHMNCCFELCY-RQZCQDPDSA-N 307.350 1.508 50 40 DDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccccc1O 194010 SUARUFRBXLOCFP-LBPRGKRZSA-N 310.737 1.802 50 40 DDGB COc1cc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)ccc1O 349300 JELUTAJTQHEHKN-FRKPEAEDSA-N 318.285 1.282 50 40 DDGB CCc1sc(C(=O)NNC(=O)c2cccnc2O)cc1C 12677475 RNZNAPAPTFYUEW-UHFFFAOYSA-N 305.359 1.794 50 40 DDGB O=C(NNC(=O)c1ccccn1)c1ccc(Cn2cccn2)cc1 14203858 PANRLCKBEBBBAF-UHFFFAOYSA-N 321.340 1.401 50 40 DDGB CCNC(=O)NNC(=O)CSc1nc2ccccc2s1 46705231 IDIFPJNMLBFKMA-UHFFFAOYSA-N 310.404 1.739 50 40 DDGB COc1cc(/C=N/NC(=O)c2ccncc2)c(O)c([N+](=O)[O-])c1 5660974 KUWWLPCIKNXCGR-LZYBPNLTSA-N 316.273 1.468 50 40 DDGB O=C(C[C@H](NCc1ccco1)C(=O)O)NNc1ccccc1 16778916 IDPHRXUYTBZUDY-ZDUSSCGKSA-N 303.318 1.356 50 40 DDGB COCCNC(=S)NNC(=O)c1cc2cccc(OC)c2o1 408587169 RSVAZEUZBUTNBL-UHFFFAOYSA-N 323.374 1.197 50 40 DDGB Cc1ccn2c(/C=C(\C#N)c3nc(N)nc(N(C)C)n3)cnc2c1 78876719 VZQBBFUZHMZGKO-YRNVUSSQSA-N 320.360 1.540 50 40 DDGB CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 4952555 HQRKAMPKPHYLTD-MNDPQUGUSA-N 322.368 1.686 50 40 DDGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(N)=O)o2)n1 409105847 LJGJKSRBGBAAFO-VMPITWQZSA-N 302.315 1.627 50 40 DDGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccccc1 19954008 MFJPAMRVXAUJOX-UHFFFAOYSA-N 323.418 1.889 50 40 DDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccccn2)c1 535333 QFJBNXIKNQOTSZ-UHFFFAOYSA-N 301.302 1.174 50 40 DDGB O=c1[nH]c(=O)n2c(c1-c1ccccc1)O[C@@H](CBr)C2 1563668 AVRYMROWZGXKDF-VIFPVBQESA-N 323.146 1.360 50 40 DDGB O=C(/C=C/c1ccco1)NC(=S)NNC(=O)c1ccco1 4950483 CKDWVSBLXKYKRO-AATRIKPKSA-N 305.315 1.222 50 40 DDGB CCOC(=O)CCC(=O)NNC(=O)COc1cc(C)cc(C)c1 2589878 FBPNILNQWCTFRY-UHFFFAOYSA-N 322.361 1.173 50 40 DDGB Cc1cc(N2CCC[C@H](C(=O)NN)C2)nc(-c2ccccc2)n1 260567624 MBQQKTVRPLFPFF-AWEZNQCLSA-N 311.389 1.658 50 40 DDGB CCN(CC)c1ccc(/C=N\NC(=O)c2nc[nH]n2)c(O)c1 16678443 DHOQBNFVIQXRKI-PXNMLYILSA-N 302.338 1.120 50 40 DDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 264960 MEYVXTCCFNUSOX-UHFFFAOYSA-N 321.314 1.218 50 40 DDGB COC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 507120 ITFKJUUVKOMWNW-NYYWCZLTSA-N 318.083 1.753 50 40 DDGB COc1ccccc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 289981 DLPHFSYIOOTCAE-UHFFFAOYSA-N 315.285 1.678 50 40 DDGB CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2)n1 9135249 IHNAHEKFJRYCKQ-UHFFFAOYSA-N 322.777 1.927 50 40 DDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@@H]1[N+](=O)[O-] 47295785 XYRRVVMEPWRKPM-KWCHGAEGSA-N 307.350 1.015 50 40 DDGB Cc1ccc(NCC(=O)NNC(=O)c2ccc(Cl)nc2)cc1 68976419 ZJOVLFGVLQLBJH-UHFFFAOYSA-N 318.764 1.917 50 40 DDGB COc1ccc(CC(=O)NNC(=O)c2ccccc2F)cc1 3400830 RLOWGHFOFIBJSZ-UHFFFAOYSA-N 302.305 1.838 50 40 DDGB Cc1c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(C#N)n1C 8108376 CHGFWDOHNGZARQ-ARFNDINWSA-N 324.340 1.495 50 40 DDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccccc1O 1880748 CYIQLQOGEBOHMA-DJKKODMXSA-N 315.304 1.411 50 40 DDGB COC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H](C)Cl)c1 8733063 HRFFSIPUYJRNND-SECBINFHSA-N 312.753 1.545 50 40 DDGB O=S1(=O)C=C[C@@H](NC(=S)OC[C@H](Cl)CCl)C1 59568580 PWIXRSZNYLLIAG-RNFRBKRXSA-N 304.220 1.034 50 40 DDGB O=C(O)CCC(=O)NNC(=O)Cc1cccc2ccccc12 6342462 VFTSQKKGMBUHHK-UHFFFAOYSA-N 300.314 1.395 50 40 DDGB C/C(=N\NC(=O)c1cccs1)c1ccc(OCC(N)=O)cc1 4507129 RUMDXSQAPPTJIS-LICLKQGHSA-N 317.370 1.766 50 40 DDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C)o1 5618394 ZNDLVAWVVBFRFQ-CXUHLZMHSA-N 301.302 1.685 50 40 DDGB COc1ccnc(NNC(=O)c2cncc(Br)c2)n1 40510801 QRKMMLVFLDWNAS-UHFFFAOYSA-N 324.138 1.400 50 40 DDGB O=C(CO)NNC(=O)CCc1ncc(-c2ccccc2Cl)o1 95465033 NFBHWPLABRGPSM-UHFFFAOYSA-N 323.736 1.067 50 40 DDGB C[C@@H]1C(=O)NN=C1C(=O)NN=C1c2ccccc2-c2ccccc21 100937955 KDGAHUVECHMPNH-JTQLQIEISA-N 318.336 1.658 50 40 DDGB Cc1nc2ccc(C(=O)NNC(=O)c3ccco3)cc2nc1C 13009474 IYVJAUJTZBMFPK-UHFFFAOYSA-N 310.313 1.914 50 40 DDGB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](C(C)C)C(C#N)=C(N)O2 8772871 CYZJXPVUZCVQGI-VIFPVBQESA-N 304.375 1.874 50 40 DDGB C/C(=N\NC(=O)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 19286571 LZLWSPZCTJTQKX-FOWTUZBSSA-N 320.349 1.157 50 40 DDGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1cnccn1 32576832 GMCMFHBAEDGDDN-LSCVHKIXSA-N 316.317 1.266 50 40 DDGB O=C(CCl)N(c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 40177576 ZGYFXPCBTKFAQL-SECBINFHSA-N 305.758 1.585 50 40 DDGB COCc1[nH]nc2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 5044921 PRHUPQFGFQHUJY-ZDUSSCGKSA-N 312.329 1.783 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1cccnc1 3251394 CVVMHUGTULEYPJ-GZTJUZNOSA-N 316.386 1.744 50 40 DDGB O=C(CC(=O)N/N=C\c1ccc(O)cc1)NCc1ccccc1 58885184 RYZKSJQVSSAYEH-UNOMPAQXSA-N 311.341 1.549 50 40 DDGB N#CC1=C(N)NC(S)=C(C(N)=O)[C@H]1c1cccc(Cl)c1 4786140 QRPHCIYZJATCQV-VIFPVBQESA-N 306.778 1.347 50 40 DDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccncc2)c1C 8324149 ZGCMBWPTCUJLDQ-UHFFFAOYSA-N 300.318 1.304 50 40 DDGB C[C@@H]1CN(CCNC(=O)/C(C#N)=C\c2ccco2)C[C@@H](C)O1 69979831 WLMSYKBBTUHJJX-HPMVNELHSA-N 303.362 1.412 50 40 DDGB O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1O 103249115 PFXJPYVDPYYLTI-JBLDHEPKSA-N 305.403 1.690 50 40 DDGB O=C(N/N=C/c1ccc(O)c(O)c1)[C@H]1COc2ccccc2O1 2366616 WQUVDUXLFXZBEL-LJZSXMKHSA-N 314.297 1.388 50 40 DDGB Cc1nc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)sc1C 575424234 TZXBEPGWCFJVKR-YUMQZZPRSA-N 323.827 1.286 50 40 DDGB COC(=O)[C@H]1C(=O)NC(SC)=C(C#N)[C@@H]1c1ccccc1F 79239 FHUHCQZJHOMTBM-NWDGAFQWSA-N 320.345 1.926 50 40 DDGB COc1ccccc1OCC(=O)NNC(=O)c1cccc(F)c1 3396487 JWQUPTCBRDKCER-UHFFFAOYSA-N 318.304 1.674 50 40 DDGB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@H]12 408722853 NXSRWXDTRUUPRL-IOSXPMGOSA-N 304.301 1.946 50 40 DDGB Cc1nc(N)sc1C(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 31854412 IXQCFBLDIDTPEP-RZNTYIFUSA-N 321.318 1.411 50 40 DDGB C[C@H](CCl)O[P@]1(=O)C[C@@](C)([N+](=O)[O-])[C@@](C)([N+](=O)[O-])C1 254616888 GWVWTNYIUVYKNF-QNCDMTAOSA-N 314.662 1.993 50 40 DDGB Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 2651539 XNQXBMVSBCNWMV-UHFFFAOYSA-N 312.325 1.841 50 40 DDGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 5902476 WREJUFLLTIUWMR-CYVLTUHYSA-N 308.341 1.971 50 40 DDGB C[C@H](CO)CO[P@](=O)(N(CCCl)CCCl)N1CC1 1568572 CLGXZFXQSRZDPR-MLCYQJTMSA-N 319.169 1.835 50 40 DDGB COc1cccc(/C=N/NC(=O)c2sc(N)nc2C)c1O 144854 DZKWJXIPBCGQSK-GIDUJCDVSA-N 306.347 1.512 50 40 DDGB CCCC(=O)N([C@@H]1C[C@@H](C)C(C#N)(C#N)C1(C#N)C#N)N(C)C 500609 QCESUACIVCNKOD-CHWSQXEVSA-N 312.377 1.567 50 40 DDGB CCOC(=O)c1c(N)sc(C(=O)NC)c1CBr 3278084 WBUAVYXARTZLKY-UHFFFAOYSA-N 321.196 1.762 50 40 DDGB Cc1ccsc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 6543554 QUBRRXPTSYAEFU-GFCCVEGCSA-N 318.354 1.658 50 40 DDGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccco1 4823044 OZYIIQFRQMNTCU-VMPITWQZSA-N 301.258 1.662 50 40 DDGB CC(C)=NNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 408767513 LYVIGSDEGGECEX-UHFFFAOYSA-N 311.407 1.581 50 40 DDGB O=C(Cc1nc2ccccc2[nH]c1=O)N/N=C/c1cccc(F)c1 3147487 LFKWJXDMNOPQAQ-VXLYETTFSA-N 324.315 1.755 50 40 DDGB CC(C)CNC(=O)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59515331 UUYKJFPXOGPSDL-CXUHLZMHSA-N 306.322 1.207 50 40 DDGB CCCCOc1ccc(C(=O)NNC(=S)NC(=O)CC)cc1 2064447 DXGXFRGCTWHYTE-UHFFFAOYSA-N 323.418 1.911 50 40 DDGB Cn1cccc1CC(=O)N/N=C\c1ccccc1OCC(=O)O 28350868 TWBLNNOCAYTHFL-YVLHZVERSA-N 315.329 1.181 50 40 DDGB O=C(CCOc1cccc(F)c1)NNC(=O)c1cccnc1 31551548 CEWRWUKFHUPXGE-UHFFFAOYSA-N 303.293 1.451 50 40 DDGB COc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c1O 5297180 WYMPGXCXORFRPY-RQZCQDPDSA-N 314.345 1.767 50 40 DDGB O=C(NNC(=S)Nc1cc(F)cc(F)c1)c1cccnc1 17031677 QDAJOLDGRMMJRG-UHFFFAOYSA-N 308.313 1.991 50 40 DDGB Cc1ccc(C)c([C@H]2C(C#N)=C(N)Oc3nc(O)[nH]c(=O)c32)c1 43568 GEENRDSTOAMONM-NSHDSACASA-N 310.313 1.311 50 40 DDGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1 7869230 LARPDIZGQNYEML-LDADJPATSA-N 321.377 1.078 50 40 DDGB Cc1cccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)c1 18142473 ZRIHEQXKIFUIGQ-HNNXBMFYSA-N 323.352 1.562 50 40 DDGB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccs1 84012001 AVKOLYPKFQWZGC-MRVPVSSYSA-N 306.391 1.663 50 40 DDGB O=C(CCc1ccccc1)O[C@@H]1CS(=O)(=O)C[C@@H]1Cl 5900071 XCCQIGXXZKUQPW-NWDGAFQWSA-N 302.779 1.567 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(-n2cnnn2)cc1 6786495 HDLZUPCDSLDDSW-CXUHLZMHSA-N 308.301 1.132 50 40 DDGB Cc1ccc(OCC(=O)N/N=C/c2ccc(O)c(O)c2)cc1 265177 DUUJLVFVXHXDOE-RQZCQDPDSA-N 300.314 1.935 50 40 DDGB CC(C)=NNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 4502966 VQGVIIDXVRQBAB-UHFFFAOYSA-N 317.798 1.618 50 40 DDGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1 33296209 DCFSQBOSYWIPML-JEMSNHSXSA-N 316.357 1.906 50 40 DDGB O=C(CC(=O)Nc1ccc(F)cc1)N/N=C/c1ccncc1 38536796 MWKYGNBLNWWKTJ-VCHYOVAHSA-N 300.293 1.700 50 40 DDGB COc1ccc2oc(C)c(C(=O)NNC(=O)[C@H]3CCCO3)c2c1 84026960 OCOLGOZEFVSAJE-CYBMUJFWSA-N 318.329 1.690 50 40 DDGB C/C(=N\NC(=O)NC(C)C)c1ccc(NS(C)(=O)=O)cc1 98055617 IWYUSFLZOUDUPN-XNTDXEJSSA-N 312.395 1.490 50 40 DDGB N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@@H]1c1ccccc1 5604396 ZXKXTOPNRNSCHI-NRUUGDAUSA-N 308.263 1.958 50 40 DDGB Cc1cccc2c1[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CCC2 12462976 OMVFLHLAKSLJIU-SFHVURJKSA-N 321.336 1.916 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 4838967 HKMKBYJDQTUAQJ-SFQUDFHCSA-N 303.362 1.548 50 40 DDGB O=C(CCc1ccco1)NNC(=O)c1cncn1-c1ccccc1 9156892 AIHBQDMFSNULNR-UHFFFAOYSA-N 324.340 1.859 50 40 DDGB Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1 2135484 PRTMXUMLGYLWPX-UHFFFAOYSA-N 313.382 1.944 50 40 DDGB O=S1(=O)C=C[C@@H](NC(=S)OC[C@@H](Cl)CCl)C1 59568582 PWIXRSZNYLLIAG-NKWVEPMBSA-N 304.220 1.034 50 40 DDGB CCCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 408719367 CNBQTHREMARWCS-SFQUDFHCSA-N 305.378 1.258 50 40 DDGB CCO[Si](CCCNC(=O)OC[C@H]1CO1)(OCC)OCC 218469906 YNTCEMPAYDBVPE-GFCCVEGCSA-N 321.446 1.550 50 40 DDGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1O 32564181 XYCVAWKGIWSWEB-IUXPMGMMSA-N 314.297 1.893 50 40 DDGB CCCCC1(N(CCCl)CCCl)C(=O)NC(=O)NC1=O 1731047 ZSRDFZXZZLJIEV-UHFFFAOYSA-N 324.208 1.061 50 40 DDGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccco1 3432054 YLXGLWAPJYNGLP-UHFFFAOYSA-N 302.258 1.181 50 40 DDGB C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1ccncc1 4561367 ANQZKLHPXNKIRX-UDWIEESQSA-N 311.345 1.920 50 40 DDGB Cc1c(C(=O)N/N=C/c2ccco2)sc2ncnc(N)c12 408972549 DQSAMUTWPQELKH-YAXRCOADSA-N 301.331 1.939 50 40 DDGB O=C1[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](F)([C@@H]5I)[C@@H]24 245284426 RUJMCBCIMWTKLD-HDZWSPGVSA-N 304.102 1.839 50 40 DDGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1Cl 3061792 CCTXFHUOBXWIQN-VXLYETTFSA-N 316.748 1.502 50 40 DDGB O=C(CN1CCCCC1)N/N=C/c1cccc2c1OCCO2 58915852 LKJJDSPQEVWLPM-GZTJUZNOSA-N 303.362 1.394 50 40 DDGB NS(=O)(=O)c1ccc(NNC(=O)/C=C/c2cccs2)cc1 3348779 XEIYCVYTYQFCAT-VMPITWQZSA-N 323.399 1.552 50 40 DDGB CN(N=O)C(=O)NCCSSCCNC(=O)N(C)N=O 5540643 VAOBXQGPOFUEKW-UHFFFAOYSA-N 324.388 1.013 50 40 DDGB CC1=C(C#N)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N1 14165592 STOHVQJOTDNANC-LLVKDONJSA-N 300.274 1.467 50 40 DDGB O=C(O)COc1ccccc1/C=N/NC(=O)Cc1ccccc1 314541 OKLQDWMQYRWFIC-WOJGMQOQSA-N 312.325 1.843 50 40 DDGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C(C)C)[C@H]2C1 804166 BYUVHVMGKZIWCM-LSDHHAIUSA-N 309.373 1.447 50 40 DDGB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN 4137052 PKLIOVIHUWUWBA-ZDUSSCGKSA-N 318.377 1.594 50 40 DDGB C[C@@]1([N+](=O)[O-])CP(=O)(OCCCl)C[C@]1(C)[N+](=O)[O-] 16578186 KGOQRHTVAHATBZ-CXXGQYILSA-N 300.635 1.604 50 40 DDGB C[C@@H]1C(C=O)=C(N)[C@](C#N)(CC(=O)c2ccccc2)C1(C#N)C#N 22028196 FXFUNOQJMBGJLS-SJKOYZFVSA-N 318.336 1.864 50 40 DDGB N#Cc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1 78439 ZJRILGAKCJRDAS-AWQFTUOYSA-N 322.324 1.849 50 40 DDGB CC1=C(n2cnc([N+](=O)[O-])c2)[C@@H](c2cccnc2)C(C#N)=C(N)O1 339814 IORZIOAIZJQHPR-ZDUSSCGKSA-N 324.300 1.883 50 40 DDGB CCc1ccc(OCC(=O)NNC(=O)c2cccnc2O)cc1 12794273 QGURJLAVQAKABX-UHFFFAOYSA-N 315.329 1.190 50 40 DDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1F 4611299 XUSHTQUNTRJONN-OVCLIPMQSA-N 306.257 1.131 50 40 DDGB O=C(CCn1ccc([N+](=O)[O-])n1)N/N=C/c1ccc(F)s1 252491747 LRWNAONGHFSZGT-NTUHNPAUSA-N 311.298 1.532 50 40 DDGB Cn1/c(=N\NC(=O)COCC(F)(F)F)sc2ccccc21 104797006 NMFCMMFOPWVXNT-GZTJUZNOSA-N 319.308 1.751 50 40 DDGB CC1(C)[C@H](C(=O)NNC(=O)c2ccccc2)CC[C@]1(C)C(=O)O 3176098 HBQJBQSDPNRNFQ-YVEFUNNKSA-N 318.373 1.975 50 40 DDGB CCNC(=S)NNC(=O)CSc1ccc([N+](=O)[O-])cc1 7990342 NCTCUSHMWDHOKN-UHFFFAOYSA-N 314.392 1.202 50 40 DDGB N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)NC(N)=O 409220532 BDHJPQWYAAYSKH-CLTKARDFSA-N 310.107 1.257 50 40 DDGB Cc1ccc(-c2nn(CCC(=O)O)cc2/C=C(/C#N)C(N)=O)cc1 4279403 GNHPRRSGQBGVKX-JYRVWZFOSA-N 324.340 1.726 50 40 DDGB COc1cccc(C(=O)NNC(=O)c2ccc(O)cc2O)c1 260817 WGWIXBLFVZVEEE-UHFFFAOYSA-N 302.286 1.181 50 40 DDGB CSCC[C@H](N)C(=O)N/N=C/c1cccc2nccnc12 1874554 YHMPKBAHWKXHGS-KECVIQKOSA-N 303.391 1.160 50 40 DDGB C[C@@]1(NC(=S)OC[C@@H](Cl)CCl)CCS(=O)(=O)C1 59568591 OOYUQBBRZGUSJY-IONNQARKSA-N 320.263 1.301 50 40 DDGB O=C(CO)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4525864 DAALLRFTHUEDTJ-CXUHLZMHSA-N 315.285 1.830 50 40 DDGB NC(=O)N/N=C1/c2ccccc2-n2c1nc1ccccc1c2=O 5451099 IHLJCISMOZGHMK-UYRXBGFRSA-N 305.297 1.120 50 40 DDGB CC(C)(O)C(=O)N/N=C/c1cc(Br)ccc1F 32578398 FFNUIJQAVCNKGH-MKMNVTDBSA-N 303.131 1.809 50 40 DDGB O=C(CC(=O)N/N=C\c1ccccc1)NCCc1ccccc1 32116911 IMCAXEGJXHLBDR-ZHZULCJRSA-N 309.369 1.886 50 40 DDGB CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(N)=O 98035363 QGTRZERKQIQVGE-YHYXMXQVSA-N 305.359 1.142 50 40 DDGB CCOCCCNC(=O)/C(C#N)=C/c1c(C)nn(CC)c1C 96189912 DZGHMLNWKQWQMW-GXDHUFHOSA-N 304.394 1.970 50 40 DDGB O=C(/C=C/c1ccccc1)NNC(=O)C(=O)NC1CCCCC1 6227374 QCOBDQKWPNDRSM-VAWYXSNFSA-N 315.373 1.296 50 40 DDGB COc1cc(OC)c(/C=N/NC(=O)c2cccnc2)c(OC)c1 231112 FNEUTZVTMLMANR-VCHYOVAHSA-N 315.329 1.871 50 40 DDGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1 58883143 PWTPGSSDDNSUTB-SXGWCWSVSA-N 302.286 1.595 50 40 DDGB CCCN1C(=O)/C(=N/NC(=O)c2cccnc2)c2ccccc21 102658024 JIEWXIVYWJFYBQ-XDJHFCHBSA-N 308.341 1.972 50 40 DDGB Cc1cccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1 100436095 KJBUGFSVVHAORQ-LVZFUZTISA-N 323.352 1.871 50 40 DDGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)CC#N 100522797 BTHSBYYSTMZDKK-VCHYOVAHSA-N 316.317 1.192 50 40 DDGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCN)[C@@H](Br)C2=O 108624956 WVTMNZFGZQVCEF-HJIKLVIJSA-N 317.227 1.220 50 40 DDGB CCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(O)c1 314487 DEFGWURODWIORY-GYKGCMEESA-N 314.341 1.975 50 40 DDGB C=C1C(C)=NN=C2C=CN(C(=O)CI)N12 1705110 DPSQSBQBWHFTRX-UHFFFAOYSA-N 316.102 1.296 50 40 DDGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCN)[C@@H](Br)C2=O 108624948 WVTMNZFGZQVCEF-CKLFPEKLSA-N 317.227 1.220 50 40 DDGB COc1ccc(O)c(/C=N/NC(=O)COc2ccccc2)c1 59502235 KQBQQAXOFUJSFD-LICLKQGHSA-N 300.314 1.930 50 40 DDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2)[C@@H](C(=O)O)C1 4651732 OVJLHKCBJAJSNA-KGLIPLIRSA-N 316.357 1.895 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1 5814665 ILWYREOIIIWKLO-UHFFFAOYSA-N 308.334 1.757 50 40 DDGB COc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 12421667 GNTMLZKSEZRNOH-GHMZBOCLSA-N 318.782 1.221 50 40 DDGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc([N+](=O)[O-])s1 2277024 OEUGKBGBUQDKQT-MKMNVTDBSA-N 322.302 1.129 50 40 DDGB N#Cc1ccc(C(=O)NNC(=O)NCCc2cccc(O)c2)cc1 66235267 VGDPSUWZCZVVIF-UHFFFAOYSA-N 324.340 1.451 50 40 DDGB CCOC(=O)NNC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C 32893606 JFKGUGAJOGZLOP-LBPRGKRZSA-N 313.398 1.485 50 40 DDGB C=CCNC(=O)CC(=O)N/N=C\c1c(O)ccc2ccccc12 57466550 WNDFUYKQKAAVBN-ODLFYWEKSA-N 311.341 1.688 50 40 DDGB N#C/C(C(N)=O)=C1\CCSc2ccc(S(=O)(=O)O)cc21 104084932 UZNGGGRAMAROTI-NTMALXAHSA-N 310.356 1.192 50 40 DDGB Cn1ncc2c(NNC(=O)c3cccc(Cl)c3)ncnc21 12788733 WMRVBIILODHQJF-UHFFFAOYSA-N 302.725 1.774 50 40 DDGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 409140683 HUNYDBPEGBBEJJ-LICLKQGHSA-N 307.350 1.070 50 40 DDGB O=C(COC(=O)c1ccccc1O)NNC(=O)c1ccccc1 3512498 CUKHTNNJXOTIDV-UHFFFAOYSA-N 314.297 1.010 50 40 DDGB CCC[C@H](CCC(=O)NNC(=O)c1ccc(OC)cc1)C(=O)O 2423486 YJQDGSDBERDOAU-GFCCVEGCSA-N 322.361 1.737 50 40 DDGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(O)cc1O 252134 CIZRYTYXQAPQCI-QGMBQPNBSA-N 303.293 1.799 50 40 DDGB COc1ccc(C(=O)N/N=C(\C)c2csc(N)n2)cc1OC 32859855 HFBMOFDKQWFHFS-CAOOACKPSA-N 320.374 1.897 50 40 DDGB N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1ccc(F)cc1 1248304 IABHHKCCEPVPIU-SNVBAGLBSA-N 305.334 1.383 50 40 DDGB CCNC(=O)N(C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 95983225 ODHLSJWGAUVWOX-MFKMUULPSA-N 318.377 1.587 50 40 DDGB CC(C)=NNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 408784145 SMEDJYYVDAZNAZ-UHFFFAOYSA-N 311.407 1.581 50 40 DDGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccncc1 3186221 RKAJHVOQHMZEMO-FBCYGCLPSA-N 324.262 1.412 50 40 DDGB CS(=O)(=O)Nc1cccc(/C=N/NC(=O)c2ccncc2)c1 45222098 PLGYXPUTHWVYIU-MHWRWJLKSA-N 318.358 1.217 50 40 DDGB CCCC(=O)N([C@H]1C[C@H](C)C(C#N)(C#N)C1(C#N)C#N)N(C)C 500610 QCESUACIVCNKOD-STQMWFEESA-N 312.377 1.567 50 40 DDGB Cc1nc2ccccn2c1C(=O)N/N=C1/C(=O)Nc2ccccc21 3246435 KPNHHMHGHFJRDL-UHFFFAOYSA-N 319.324 1.729 50 40 DDGB O=C(NNC(=S)NC1CC1)c1ccccc1OC(F)F 2788083 OFHOAHIRWIKBHR-UHFFFAOYSA-N 301.318 1.559 50 40 DDGB CC(C)NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 4703129 YFURKFQZDRLSJW-GIDUJCDVSA-N 302.161 1.968 50 40 DDGB Cc1ccc(C(=O)NNC(=O)Cc2ccn(C(C)C)n2)cc1 72302685 BKKXBIIWZUBNIN-UHFFFAOYSA-N 300.362 1.776 50 40 DDGB CC(=O)Oc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 408720085 RUFQDSTYJZVMEG-GZTJUZNOSA-N 303.362 1.548 50 40 DDGB CCOc1cc2c(=O)ccn(CCC(=O)NN)c2cc1OCC 64873654 ALXOWSHPOCFMTP-UHFFFAOYSA-N 319.361 1.179 50 40 DDGB CCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2)cc1 14245820 LJWGJWVQJYTHOQ-UHFFFAOYSA-N 320.370 1.709 50 40 DDGB O=S1(=O)CC[C@H](CNC(=S)OC[C@H](Cl)CCl)C1 59568599 FABYIJBAUBZELV-HTQZYQBOSA-N 320.263 1.158 50 40 DDGB C/C(=N/NC(=O)c1ccccc1O)c1c(O)cc(C)oc1=O 102452021 SBZOHJIAHKMQJG-SXGWCWSVSA-N 302.286 1.513 50 40 DDGB CC(C)C[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccco1 2604019 RZEPMZPIPWSLFE-WDEREUQCSA-N 310.350 1.814 50 40 DDGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(=O)O 39557383 NTLVOEWMACMZBA-HPAYWCODSA-N 313.313 1.697 50 40 DDGB O=C1O[C@H](O)C(C(Br)Br)=C1Cl 72399591 QQUDLQFPDURWTO-BYPYZUCNSA-N 306.337 1.470 50 40 DDGB in-vitro NC(=O)N/N=C/CC(O)(C(F)(F)Cl)C(F)(F)Cl 5500581 LPAVFYYLYJWPGT-JLZUIIAYSA-N 300.039 1.425 50 40 DDGB O=C(CCl)NNC(=O)c1ncc(C(F)(F)F)cc1Cl 2557789 JJSPQDXZKCOMRS-UHFFFAOYSA-N 316.066 1.754 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)Cn2ccnc2C)c1 2707580 NSDSRASGNQFMOU-RQZCQDPDSA-N 302.334 1.359 50 40 DDGB O=C(N/N=C/C=C/c1ccco1)c1n[nH]c(=O)c2ccccc12 63367800 MCTWLKCGNMEWHD-AHEHSYJASA-N 308.297 1.945 50 40 DDGB C/C(=N\NC(=O)c1cccnc1)c1ccc(OCC(N)=O)cc1 5621211 FEBQVSWQUSETKG-YBFXNURJSA-N 312.329 1.100 50 40 DDGB CC1(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)OCCO1 408727075 PRJMTMARASWXPN-GIDUJCDVSA-N 312.709 1.282 50 40 DDGB O=C(NNC(=O)c1cc(C2CC2)[nH]n1)c1ccc2c(c1)OCO2 44908189 WMCIOQFLXBBSPP-UHFFFAOYSA-N 314.301 1.091 50 40 DDGB CO[Si](CCCNC(=O)OCC(F)(F)F)(OC)OC 627276271 WFZBPNBTTAVTAD-UHFFFAOYSA-N 305.325 1.543 50 40 DDGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c1 2223720 DCFIJKJHTWVDTP-OAHLLOKOSA-N 323.352 1.921 50 40 DDGB N#Cc1ccc(OCC(=O)NNC(=O)c2cccs2)cc1 3259100 ARHVHHZECGMCHI-UHFFFAOYSA-N 301.327 1.460 50 40 DDGB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCl)c1 3885239 MWIRPWSUJZGQTF-UHFFFAOYSA-N 304.799 1.894 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1ccc(O)c([N+](=O)[O-])c1 35715694 BESRCKPLYFCIKH-YRNVUSSQSA-N 305.290 1.360 50 40 DDGB O=C(C[C@@H]1SC(=O)NC1=O)NNc1nc2ccccc2s1 32597946 ZMZSVEWWEGMQBJ-QMMMGPOBSA-N 322.371 1.481 50 40 DDGB CC(C)[C@@H](O)CN1C=C(C#N)C(=O)N[C@@H]1NC1CCCCC1 20032739 BUPZYHLMZROZON-HOCLYGCPSA-N 306.410 1.048 50 40 DDGB CCC1(CC)NC(=O)N(CCN(CCCl)CCCl)C1=O 1692916 FWXZKUBVRNJKCK-UHFFFAOYSA-N 324.252 1.877 50 40 DDGB COc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2ccco2)c1 3556737 UACKNPAJEDFHIS-AATRIKPKSA-N 316.313 1.771 50 40 DDGB Cc1c(C(=O)NN=Cc2ccccc2O)sc(N)c1C#N 409337142 XVJVGBUOKSZANB-UHFFFAOYSA-N 300.343 1.980 50 40 DDGB O=C(Cn1cnc2ccccc21)N/N=C\c1ccccc1C(=O)O 13388642 TYXKUVCGPNEMGE-OCKHKDLRSA-N 322.324 1.885 50 40 DDGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-] 4534807 SXHNPBNXANBSAZ-QPEQYQDCSA-N 304.218 1.860 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)CSc1nc(C)cc(C)n1 104284802 PJJUHRNQLIOVAG-KHPPLWFESA-N 320.374 1.054 50 40 DDGB C[C@]1(NNC(=O)NCCC2=CCCCC2)CCS(=O)(=O)C1 42837429 YBBGCLFZYSGTCZ-AWEZNQCLSA-N 315.439 1.258 50 40 DDGB O=C(CNS(=O)(=O)Cc1ccccc1)NNc1ccccc1 1593784 DXCUNBGVJKJJGW-UHFFFAOYSA-N 319.386 1.249 50 40 DDGB CCOC(=O)NNS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 71914685 AYMOTBUZXQVMCR-UHFFFAOYSA-N 324.362 1.120 50 40 DDGB Cc1cc(C(=O)N/N=C/c2cn(C)nc2C)ccc1[N+](=O)[O-] 2754377 VMCOPJBSOLVFGU-VIZOYTHASA-N 301.306 1.709 50 40 DDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(F)c2)c1 2646093 ZMGLEHICOJDKHF-UHFFFAOYSA-N 318.304 1.918 50 40 DDGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21 6621948 QZEMPDHYLVTQOJ-CQSZACIVSA-N 309.325 1.910 50 40 DDGB Cn1cc(C(=O)NN[C@@H](C(N)=O)c2ccccc2)c2ccccc21 26224129 VKVKBIUYGVJSPZ-MRXNPFEDSA-N 322.368 1.639 50 40 DDGB CC(C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)O 12137214 HPICMJFXRPFIGX-UHFFFAOYSA-N 322.361 1.591 50 40 DDGB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Cl)cc1 8990290 MESQTULSFGCGEM-UWVGGRQHSA-N 308.186 1.474 50 40 DDGB CCNC(=O)N(C)NC(=O)CSCc1ccc(C#N)cc1 95983226 YMJKRVBSCAARCO-UHFFFAOYSA-N 306.391 1.484 50 40 DDGB CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC(C)C)cc1 408789289 ILURUJOJGGIKMO-MDWZMJQESA-N 301.346 1.243 50 40 DDGB COC(=O)N(C)NC(=O)c1cc2nccc(C(F)(F)F)n2n1 1521569490 RZDLVJOIAUSTDI-UHFFFAOYSA-N 317.227 1.091 50 40 DDGB CCOC(=O)/C(C#N)=C(/S)NNC(=O)Cc1ccccc1 16681971 YALKPLLAQAJGMO-ACCUITESSA-N 305.359 1.078 50 40 DDGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 8217590 VIYLQQWPMLZGFE-GIDUJCDVSA-N 302.161 1.968 50 40 DDGB COc1cccc(OC)c1/C=N/NC(=O)C(=O)NC(C)(C)C 6313400 DEWZIDSBWWRYEA-CXUHLZMHSA-N 307.350 1.069 50 40 DDGB Cc1cc(C)nc(NNC(=O)C[C@H]2C(=O)Nc3ccccc32)n1 102378276 RMWGHUTUTDZOSS-GFCCVEGCSA-N 311.345 1.663 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(F)cc2)cc1 256173 QNNFTPGDXCXATO-UHFFFAOYSA-N 308.334 1.757 50 40 DDGB Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCNC2=S)cc1 6487263 WYYSVFWOJYHYTE-FMIVXFBMSA-N 307.400 1.324 50 40 DDGB Cc1occc1C(=O)NNC(=O)NCCc1ccccc1F 45128530 DFYTYAHXSUOGDE-UHFFFAOYSA-N 305.309 1.914 50 40 DDGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccncc1)C(C#N)=C(N)O2 2364647 SYQZMUQJMNWNJJ-AWEZNQCLSA-N 308.341 1.790 50 40 DDGB CN1CCN(/C(N)=C(C#N)/C=C2\Nc3ccccc3C2=O)CC1 57059095 ABNBECZHIQVPGK-QHWPHCJNSA-N 309.373 1.120 50 40 DDGB COc1ccc2c(c1)/C(=N\NC(=O)c1cccc(F)c1)C(=O)N2 59472598 VSIVZBSPFLUCBW-UHFFFAOYSA-N 313.288 1.921 50 40 DDGB O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)[C@H](O)c1ccccc1 36020377 NVYBJIDPZBZUAM-BRYYZUPOSA-N 315.285 1.484 50 40 DDGB Cc1cc(S(=O)(=O)NNC(=O)c2cccnc2)ccc1F 41091233 UGNXNTBFUDQWLM-UHFFFAOYSA-N 309.322 1.152 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1 243621 VJFIOTMTSRVFGJ-UHFFFAOYSA-N 306.343 1.324 50 40 DDGB O=C(Cc1cccs1)NNC(=O)[C@H]1COc2ccccc2O1 2661782 SXQDDHUYPFVKRX-CYBMUJFWSA-N 318.354 1.278 50 40 DDGB C=Cn1ccnc1P(=O)(c1ccccc1)c1nccn1C=C 101376663 IKGBPWYCAGIZJU-UHFFFAOYSA-N 310.297 1.920 50 40 DDGB O=C(NNC(=O)c1cccnc1O)c1cc2c(s1)CCCC2 12980439 DWDCXHSHAZZHNM-UHFFFAOYSA-N 317.370 1.802 50 40 DDGB NC(=O)COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1 408884947 WDSHGMHVFJMSTD-VCHYOVAHSA-N 312.329 1.706 50 40 DDGB O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C\c1ccc(Cl)cc1 49983464 MAJHQNKYWUDJTE-RZNTYIFUSA-N 307.697 1.595 50 40 DDGB CCOC(=O)C(N/C=C(/C#N)c1cccc(F)c1)C(=O)OCC 100071532 HPOVCHZGKSQXAS-BENRWUELSA-N 320.320 1.775 50 40 DDGB CCc1nnsc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 24396461 UCLKXTBNLQHOHS-UHFFFAOYSA-N 324.793 1.758 50 40 DDGB C[C@H](Cl)CN(C[C@@H](C)Cl)C(=O)OC[C@H](N)C(=O)O 4783143 XRXTWSABNBANQL-RNJXMRFFSA-N 301.170 1.092 50 40 DDGB C[C@]1(NC(=S)OC[C@@H](Cl)CCl)CCS(=O)(=O)C1 59568590 OOYUQBBRZGUSJY-CBAPKCEASA-N 320.263 1.301 50 40 DDGB Cc1cc(C(=O)NNC(=O)COc2ccccc2Cl)[nH]n1 18323280 WNZNKDYDTQXXFU-UHFFFAOYSA-N 308.725 1.212 50 40 DDGB COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC 289042 KKGGZBFGTNLORF-CZAWJFPGSA-N 316.357 1.906 50 40 DDGB NC(=O)COc1ccc(/C=N/NC(=O)c2cccs2)cc1 564393 YQSBBCSYFUBEBW-LZYBPNLTSA-N 303.343 1.376 50 40 DDGB CC(C)C(=O)NNS(=O)(=O)c1ccc(F)c2ncccc12 24579079 KKDVECDAZYGBEB-UHFFFAOYSA-N 311.338 1.339 50 40 DDGB CCOC(=O)NNC(=O)c1cccnc1OCC(F)(F)F 24647004 VWQRKRHNLHOFEP-UHFFFAOYSA-N 307.228 1.414 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2cccs2)cc1[N+](=O)[O-] 2615900 PMVAYUBTZNLIAA-UHFFFAOYSA-N 321.314 1.740 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NC(C)(C)C)c1 59515998 XKTXJEIMLDAYCM-GZTJUZNOSA-N 303.362 1.616 50 40 DDGB Cc1cc(C)nc(NNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)n1 22236129 BNMDLXSOKAAFJR-RISCZKNCSA-N 314.345 1.765 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2cccs2)n1N 105813050 OHQBSQRKBJSFNZ-FPLPWBNLSA-N 320.403 1.138 50 40 DDGB CN(C)NC(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 102859190 FXOKJOYRPHVSRJ-ZEGGKSINSA-N 317.227 1.738 50 40 DDGB Cc1occc1C(=O)NNC(=O)NNC(=O)c1ccc(F)cc1 103060708 UYUSQIKEDOIBAE-UHFFFAOYSA-N 320.280 1.016 50 40 DDGB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1 3399281 CEMCLKQOSYFSLZ-SECBINFHSA-N 304.799 1.939 50 40 DDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNc1ccc(F)cc1 13126455 JCMQKCLCAHRCOM-JYRVWZFOSA-N 300.293 1.465 50 40 DDGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(N)=O)c2C)c1 408935525 FUUWFXUANGYQJY-DJKKODMXSA-N 312.373 1.646 50 40 DDGB Cc1ccc(S(=O)(=O)N2CC(=O)[C@H](Br)C2)cc1 95635182 GZHSUXXRBWNDMF-SNVBAGLBSA-N 318.192 1.332 50 40 DDGB COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccco1 1465208 TYSIKHZMYLVIHZ-LZYBPNLTSA-N 303.274 1.510 50 40 DDGB COc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1 4833055 FRQPWKOGTAMGOE-UHFFFAOYSA-N 319.342 1.156 50 40 DDGB O=C(NCc1cccnc1)C(=O)N/N=C/c1cccc(Cl)c1 59515984 KMUVYDBCIWPCCB-VXLYETTFSA-N 316.748 1.502 50 40 DDGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(N)=O)c2C)cc1C 6332809 XLWMADDAGBMJPG-DJKKODMXSA-N 312.373 1.646 50 40 DDGB CC1(CC(=O)N/N=C/c2ccc(N3CCCCC3)o2)OCCO1 408728467 MWOXAYDVOYQQMQ-SFQUDFHCSA-N 321.377 1.873 50 40 DDGB CCOc1ccc(/C=N/NC(=O)CCc2c(O)n[nH]c2C)cc1 229476 ZCPFFUKYFIRGAS-LICLKQGHSA-N 316.361 1.905 50 40 DDGB COc1ccnc(NNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)n1 46364924 QKKQMAXWMBUMJG-ZANVPECISA-N 316.317 1.157 50 40 DDGB Cn1c(C(=O)NNC(=O)CCC(=O)O)cc2cc(Cl)ccc21 4675918 IXUMKKNFOPBFIL-UHFFFAOYSA-N 323.736 1.458 50 40 DDGB CCS(=O)(=O)[C@@H](Br)C(=O)c1cccc(N)c1 96517880 LPWVUYVHZUZUKR-SNVBAGLBSA-N 306.181 1.607 50 40 DDGB O=C(NNC(=S)NC(=O)c1ccccc1F)c1cccs1 14037602 HFPZXECPWJFBAV-UHFFFAOYSA-N 323.374 1.837 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2ccc(O)c(O)c2)cc1 289936 VAXWAARNJRXKJK-UHFFFAOYSA-N 302.286 1.181 50 40 DDGB O=C(NCc1ccco1)C(=O)N/N=C\c1c(F)cccc1Cl 34888721 CDHCYHUTFCDZBJ-LSCVHKIXSA-N 323.711 1.839 50 40 DDGB COc1cccc(OCc2cc(C(=O)NN)ccc2OC)c1 224248784 RDJZSJKLLOSQCG-UHFFFAOYSA-N 302.330 1.886 50 40 DDGB Cc1ccccc1C(=O)NNC(=O)Cn1nnc2ccccc21 17594029 MXORQRUYOJKWCZ-UHFFFAOYSA-N 309.329 1.201 50 40 DDGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc([N+](=O)[O-])o1 13144449 ZHQFDFNOWCGLLO-ZSOIEALJSA-N 318.245 1.789 50 40 DDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 1504919 JSZSPGTXMNVOTE-AWEZNQCLSA-N 314.297 1.670 50 40 DDGB Cc1ccccc1NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 12421672 HYHUPHNUSKANCY-KOLCDFICSA-N 302.783 1.521 50 40 DDGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc([N+](=O)[O-])s1 20459116 ZERJJFQWZBNAMK-UHFFFAOYSA-N 305.344 1.874 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccccc3)ccc21 478812 WIQOCUBRMQKXKC-WOJGMQOQSA-N 308.341 1.641 50 40 DDGB Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1O 320621 DWRZUXBYWJELKS-UHFFFAOYSA-N 306.343 1.324 50 40 DDGB CCOc1ccc(/C=N/NC(=O)CC(=O)NCCCOC)cc1 4893329 KXXZOHRTJCUTLZ-LDADJPATSA-N 321.377 1.078 50 40 DDGB C[C@@]12CC[C@@H](/C(=N/N=C(N)N)C1=O)[C@]2(C)CBr 5730050 MWWIFFOPFPFRNH-ZZKKSMCLSA-N 301.188 1.016 50 40 DDGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc([N+](=O)[O-])o1 33607274 PBZSUBWKWKGVMG-ZSOIEALJSA-N 318.245 1.789 50 40 DDGB CCN(CCO)NC(=O)C1(c2cccc(F)c2)CCOCC1 585141715 ZDDQWWMZIFVJLB-UHFFFAOYSA-N 310.369 1.219 50 40 DDGB COc1ccc(OC)c(C2C(C#N)=C(N)SC(N)=C2C#N)c1 19848758 KDLXONYGKWHPLB-UHFFFAOYSA-N 314.370 1.922 50 40 DDGB O=C(N/N=C\c1ccc([N+](=O)[O-])o1)[C@@H]1COc2ccccc2O1 4505368 YLPYHIGTTGYBFP-CUTJPZLCSA-N 317.257 1.478 50 40 DDGB NNC(=O)N/N=C(/CBr)c1ccc(Cl)cc1 8618840 MUMCFMNBWBWATJ-ZSOIEALJSA-N 305.563 1.612 50 40 DDGB COc1cccc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)c1 8970525 PDVFRINNCTUOJS-LLVKDONJSA-N 317.370 1.252 50 40 DDGB C[C@H](NC(=O)C(=O)N/N=C\c1ccccc1O)c1ccccc1 55372163 IQHABSJKXJOAQD-SJWFJVLYSA-N 311.341 1.720 50 40 DDGB N#C/C(=C/c1ccc2c(c1)OCO2)c1nn(CCO)c(N)c1C#N 4321996 DXDHQFJOCFMXFN-WZUFQYTHSA-N 323.312 1.122 50 40 DDGB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1cccnc1 14287127 AKQNQTCOHSGXAI-HZMBPMFUSA-N 313.313 1.071 50 40 DDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccco2)cc1 223160075 RKFYBZWFAZUVCO-SXGWCWSVSA-N 315.285 1.155 50 40 DDGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc(N)c1 8108056 ONZPPAONTKLMKG-YDDPGSGASA-N 311.341 1.949 50 40 DDGB COc1cc(/C=N/NC(=O)C(=O)N2CCC(C)CC2)ccc1O 3089100 CEOKCGLVEMSAOS-LICLKQGHSA-N 319.361 1.109 50 40 DDGB COc1ccc(CN2CCN(C(=O)CCl)CC2)cc1OC 20268178 FYQNCIZMAQOHNQ-UHFFFAOYSA-N 312.797 1.587 50 40 DDGB O=C(CSc1nncs1)NNC(=O)c1ccc(F)cc1 9376189 WDMYRUFYDPTJJR-UHFFFAOYSA-N 312.351 1.231 50 40 DDGB CC(=O)NNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1 333947 POVYJYMRSKKDIJ-UHFFFAOYSA-N 312.369 1.707 50 40 DDGB O=C(CNC(=O)c1ccco1)N/N=C/c1c[nH]c2ccccc12 3893162 QCQAHHQUCJFXEI-DJKKODMXSA-N 310.313 1.641 50 40 DDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1n[nH]c2c1CCCC2 179293 VNIXCUDZYLMTEZ-CXUHLZMHSA-N 313.317 1.961 50 40 DDGB C[C@@H](O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 478764 QYTVNAXDGAUCFL-ATKUDTDSSA-N 315.123 1.009 50 40 DDGB C=CCNC(=O)C(=O)N/N=C/c1ccc(Br)cc1 5377281 HQOKBBAICMCHQI-OVCLIPMQSA-N 310.151 1.201 50 40 DDGB O=C(N/N=C\c1ccc(O)c(O)c1)[C@H]1COc2ccccc2O1 31871118 WQUVDUXLFXZBEL-TUBDAXHVSA-N 314.297 1.388 50 40 DDGB O=C(CCc1ccccc1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 13681893 WFIZRXAMFCBPJU-RYUDHWBXSA-N 301.795 1.140 50 40 DDGB CC1=C(n2cnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C(C#N)=C(N)O1 206336 UIWAGWXYQVSMMM-GFCCVEGCSA-N 324.300 1.883 50 40 DDGB CCOC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 18168504 FRDZGLLEMOZNOQ-UHFFFAOYSA-N 312.123 1.851 50 40 DDGB Cc1ccc(S(=O)(=O)CC(=O)N/N=C2/CCCC(=O)C2)cc1 100937567 IEPHBQZTAFZKGJ-VBKFSLOCSA-N 322.386 1.384 50 40 DDGB CNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 100983496 GRBFFHTYMNSFCY-MPKXCIJOSA-N 324.240 1.304 50 40 DDGB Cn1nc(C(=O)NNC(=O)c2ccccc2)c2ccccc2c1=O 2627211 RHRBGEWZIWIXQC-UHFFFAOYSA-N 322.324 1.008 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1cccn1-c1ccccc1 59678837 LSKFFXJHFHWVDL-QGOAFFKASA-N 312.373 1.260 50 40 DDGB Cc1ccccc1/C=N/NC(=O)c1ccc(-n2cnnn2)cc1 6652198 VIWWVHGBPGYCMW-LICLKQGHSA-N 306.329 1.735 50 40 DDGB O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1O 7415910 QVUSZFAZZGTZQZ-ZHACJKMWSA-N 318.354 1.627 50 40 DDGB O=C1C[C@H](C(=O)NNC(=O)c2ccc[nH]2)c2ccc(F)cc2N1 97011486 QFNMUWUZPLJEND-JTQLQIEISA-N 316.292 1.041 50 40 DDGB O=C(Cn1ccnc1)NNC(=O)c1ccccc1C(F)(F)F 40150506 XENXLXFKSPQXIJ-UHFFFAOYSA-N 312.251 1.363 50 40 DDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1nc(Cl)ccc1Cl 104408721 JYIUBMMEIDYLAT-SREVYHEPSA-N 314.128 1.871 50 40 DDGB O=C1OC(=O)[C@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]12 100149722 HHFFMUZIOYHTFC-ZJWGJRCSSA-N 323.968 1.479 50 40 DDGB CCOC(=O)C/C(C)=N/NC(=O)CCC(=O)Nc1ccccc1 4698705 PUNDYZMJESMVGK-LDADJPATSA-N 319.361 1.851 50 40 DDGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc(-n2cnnn2)c1 7014656 QMQGVKJGYBQLNV-YBFXNURJSA-N 324.319 1.955 50 40 DDGB Cc1ccc(C(=O)NNC(=O)Cc2cn3ccsc3n2)cc1 15718729 MKZKVYPJMJZIBR-UHFFFAOYSA-N 314.370 1.708 50 40 DDGB COc1ccccc1/C=N/NC(=O)C(=O)N1CCCCCC1 4492011 KVFRJEKWEZKMAJ-SFQUDFHCSA-N 303.362 1.548 50 40 DDGB C=CNC(=S)N/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1 104304224 KCNFCADMWKOLGY-XFXZXTDPSA-N 307.400 1.741 50 40 DDGB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)[C@@H]2Br 100016810 XUJHKPSBHDQIOD-NYNCVSEMSA-N 311.197 1.643 50 40 DDGB O=C(NNC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 17170932 OCTXDAHRJOJYQA-UHFFFAOYSA-N 307.313 1.342 50 40 DDGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)o1 408804470 AEZZTPJCJWKIBR-GMCKNXKJSA-N 303.362 1.938 50 40 DDGB Nc1ccccc1C(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 32116978 AHZSSSIGONWPTL-PXNMLYILSA-N 300.274 1.647 50 40 DDGB Cn1cc(Cl)cc1C(=O)NNC(=O)c1n[nH]c2ccccc12 9609902 YLQICNZTFHGNCP-UHFFFAOYSA-N 317.736 1.630 50 40 DDGB CCOc1ccccc1/C=C(\C#N)c1nc(N)nc(N(C)C)n1 11297799 LXEAGOLNPDJSTN-FMIVXFBMSA-N 310.361 1.983 50 40 DDGB CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(/C)c1ccc(C)cc1 100925402 ZWIADNQIBVAZED-RQNDZEIBSA-N 300.362 1.737 50 40 DDGB CC1(C)[C@@]2(CBr)CC[C@]1(C(=O)NCCN)CC2=O 85398704 SLJPYMKLSUONLE-CHWSQXEVSA-N 317.227 1.222 50 40 DDGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 314475 HTAUDYCTMGCUPB-YCPFAOKUSA-N 314.341 1.888 50 40 DDGB O=C(Cn1c(-c2ccccc2)noc1=O)N/N=C/c1ccccc1 5600474 TUCFXCSHOZRGOC-WOJGMQOQSA-N 322.324 1.654 50 40 DDGB Cc1cc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)[nH]n1 257695 VCPUZEGDAPHHBI-PJQLUOCWSA-N 306.709 1.864 50 40 DDGB C[C@@H](CO)CO[P@@](=O)(N(CCCl)CCCl)N1CC1 1568573 CLGXZFXQSRZDPR-YPMLDQLKSA-N 319.169 1.835 50 40 DDGB Cc1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)o1 27145577 WLMBCQZQCMPUDR-UHFFFAOYSA-N 322.342 1.066 50 40 DDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 4550281 ISXNBSXGJCIAGU-XDHOZWIPSA-N 319.405 1.587 50 40 DDGB C/C(=N/NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccco1 4805293 PCXQDNVPSCHMTL-BZTAXWJHSA-N 311.341 1.949 50 40 DDGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccncc1 15901174 TWFCZQAWBLPGBD-UHFFFAOYSA-N 310.357 1.295 50 40 DDGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc1 29737646 JTFWXDVLWDKNAY-AWEZNQCLSA-N 317.389 1.261 50 40 DDGB O=C(NNC(=O)c1ccccn1)c1cccc(N2CCCC2=O)c1 7909885 VJFCNRFZLIZQJQ-UHFFFAOYSA-N 324.340 1.283 50 40 DDGB Nc1nonc1C(=O)N/N=C\c1cccc(Cl)c1Cl 33374584 OJNICPOUVCCBDD-CPSFFCFKSA-N 300.105 1.723 50 40 DDGB O=C(CCl)N(CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5773094 LIPIBGYEODZBFF-CYBMUJFWSA-N 315.822 1.484 50 40 DDGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1O 6327578 GDHZHEJQQYMMDZ-GIDUJCDVSA-N 313.741 1.029 50 40 DDGB CC(C)(CCl)C(=O)NCc1nnnn1-c1cccc(F)c1 10593290 ZNYJBYLFLRWHIJ-UHFFFAOYSA-N 311.748 1.683 50 40 DDGB O=C(NNC(=O)c1ccccc1Br)c1cnccn1 510350 VRZCJVWBQJEAIC-UHFFFAOYSA-N 321.134 1.314 50 40 DDGB COc1ccc(C(=O)NNC(=O)c2cccnc2)c(OC)c1 12728926 SGVIHNYBBNPKJF-UHFFFAOYSA-N 301.302 1.174 50 40 DDGB NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 4834068 RBXWURXMJQEQBP-MRXNPFEDSA-N 322.368 1.499 50 40 DDGB COc1ccc(/C=N/NC(=O)Cc2cc(=O)[nH]c(=S)[nH]2)cc1 7332731 VFNWYMROAWTJFC-OVCLIPMQSA-N 318.358 1.134 50 40 DDGB Cc1ccc(CN2CCC[C@@H]2C(=O)NNC(=O)CCl)cc1 72329886 DWZAEAMGFWZEFJ-CYBMUJFWSA-N 309.797 1.346 50 40 DDGB Nc1nnc(P(=O)(c2ccccc2)c2ccccc2)s1 96910484 GLWZYIXPBMOZLP-UHFFFAOYSA-N 301.311 1.760 50 40 DDGB CN(C)NC(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 12139886 FXOKJOYRPHVSRJ-CKLFPEKLSA-N 317.227 1.738 50 40 DDGB COc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1 3152723 IDLRGYNRWMGOCY-LICLKQGHSA-N 300.314 1.930 50 40 DDGB C=CCNC(=O)CC(=O)N/N=C/c1ccccc1C(F)(F)F 59434399 ZNPFTZNYYPPRDR-DJKKODMXSA-N 313.279 1.848 50 40 DDGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccco1 2286438 VSVAYWDTNCLTDS-DJKKODMXSA-N 324.340 1.949 50 40 DDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cccs2)c(C)c1 3290204 RFCJGVAFTKHJDG-UHFFFAOYSA-N 310.400 1.988 50 40 DDGB Cc1ccccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 6651772 UNWRYFPJSYFZCP-UHFFFAOYSA-N 322.324 1.306 50 40 DDGB Cc1cc(C(=O)NNS(=O)(=O)c2cccs2)c(C)o1 16149689 KQABKBRASUQYMN-UHFFFAOYSA-N 300.361 1.581 50 40 DDGB Cc1cccc2c1[C@]1(C(=O)N2)C(C#N)=C(N)Oc2[nH]nc(C)c21 8721222 VDIMNQRHWVABQY-MRXNPFEDSA-N 307.313 1.351 50 40 DDGB COc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1C(=O)NN 45957656 HLVNLSNKXBZELR-UHFFFAOYSA-N 308.338 1.952 50 40 DDGB Cc1ccccc1C(=O)N1C[C@H](C(=O)NN)Oc2ccccc21 225329825 YEESCWXQWDNHRW-OAHLLOKOSA-N 311.341 1.393 50 40 DDGB O=C(NNc1ccc(F)cc1)[C@@H]1CSCN1C(=O)C1CCC1 106355912 PXYPJKPIUNRXLQ-ZDUSSCGKSA-N 323.393 1.970 50 40 DDGB O=C(N/N=C/c1cccnc1)C(=O)Nc1cccc(Cl)c1 59516137 OHRVGDDBTMWTLP-RQZCQDPDSA-N 302.721 1.824 50 40 DDGB C/C(=N\NC(=O)C1CC1)[C@@H](c1ccccc1)N1CCOCC1 61101121 YKXSFJATTGGLKQ-HZGBGQKMSA-N 301.390 1.962 50 40 DDGB NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1 83318287 YAODJFBGSSYVDX-ODLFYWEKSA-N 311.341 1.244 50 40 DDGB O=C(CCl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4206484 QYGLEXRUOCVCLE-SECBINFHSA-N 307.824 1.503 50 40 DDGB COc1ccccc1CNC(=O)NNC(=O)NCC(F)(F)F 56352452 ROVPUTMXNPDFJX-UHFFFAOYSA-N 320.271 1.271 50 40 DDGB O=S1(=O)CC[C@@H](CNC(=S)OC(CCl)CCl)C1 59568378 GZNBUYIOQZBSGQ-ZETCQYMHSA-N 320.263 1.158 50 40 DDGB O=C(N/N=C/c1n[nH]nc1-c1ccccc1)c1ccccc1CO 4354573 LUZZKNSKLPFHSU-VCHYOVAHSA-N 321.340 1.728 50 40 DDGB CCOc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)ccc1O 3059303 UMHOSWHDNRLDEY-GZTJUZNOSA-N 319.361 1.254 50 40 DDGB C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)c1cnccn1 101159910 VUOWSRAWVOZPOX-UDWIEESQSA-N 317.393 1.811 50 40 DDGB C/C(=N\NC(=O)[C@@H]1C=NNC1=O)c1cccc(Br)c1 100948977 JRJKDSUYRFUMNP-MIJYTDESSA-N 323.150 1.021 50 40 DDGB NC(=S)N/N=C1/[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](Br)[C@H]3[C@@H]12 195528809 WDKGDSOBYBOGRK-MWODSXGOSA-N 312.236 1.327 50 40 DDGB NC(=O)Nc1ccc(NS(=O)(=O)CCCCCl)cc1 95945969 GQVGUMXISNGEFR-UHFFFAOYSA-N 305.787 1.938 50 40 DDGB Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@@H]2c2cccc(O)c2)n1 17218980 GNCILFLYAWIQGW-WCQYABFASA-N 320.736 1.302 50 40 DDGB O=C(Nc1ccccc1Cl)N[C@H]1CS(=O)(=O)C[C@H]1Cl 106002588 KXEGXSPGGVXHSP-SCZZXKLOSA-N 323.201 1.866 50 40 DDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccn1 59434002 NHROWAQSIKBALT-VCHYOVAHSA-N 312.329 1.487 50 40 DDGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2cccs2)[C@@H](C(=O)O)C1 2793056 AIFMCKCBSLBLMX-QWRGUYRKSA-N 322.386 1.956 50 40 DDGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OC)c1O 3302171 ATBAXXSOSXCKTR-KPKJPENVSA-N 302.330 1.939 50 40 DDGB CC(=O)N[C@H](CSc1cc(C)nc2ccccc12)C(=O)NN 5516473 YKDNHKZQCFKKJQ-CYBMUJFWSA-N 318.402 1.130 50 40 DDGB C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)c1cccs1 18093886 SVSSZJSTXCTNDU-YAFRSCOQSA-N 309.391 1.539 50 40 DDGB CCCCSC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167674 ULSVODCLFKAYGY-YUMQZZPRSA-N 301.886 1.799 50 40 DDGB CCOC(=O)NNC(=O)c1cccn(Cc2ccccc2)c1=O 63679693 PKEQMTSDXNYMOO-UHFFFAOYSA-N 315.329 1.288 50 40 DDGB CC(=O)O[C@H](C(=O)NNC(=O)OC(C)(C)C)c1ccccc1 5664415 FWWVLPFGNQETOW-LBPRGKRZSA-N 308.334 1.847 50 40 DDGB C[C@H]1CCCN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)C1 13286708 JHSVYVXPQLSBMS-KNEMVRMJSA-N 324.384 1.878 50 40 DDGB CCC(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 84718687 OVWOWNMZUDFBCO-UHFFFAOYSA-N 319.342 1.125 50 40 DDGB Cc1cc2c(c(=O)o1)[C@@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 497510 FPLQLGSWZHRSPC-LLVKDONJSA-N 315.241 1.668 50 40 DDGB CC(=O)Nc1ccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1 6312145 KHBXESNSGYYMHH-UKTHLTGXSA-N 301.302 1.127 50 40 DDGB C/C(=N\NC(=O)CNC(=O)c1ccco1)c1ccc(F)cc1 12362310 XRCZXEBCWOTHCP-VCHYOVAHSA-N 303.293 1.689 50 40 DDGB C/C(=N/NC(=O)Cn1nnc2ccccc21)c1cccc(O)c1 350822 BERWBHDTFSHMHF-BOPFTXTBSA-N 309.329 1.677 50 40 DDGB CCOC(=O)[C@@](CC)(CCC(=O)O)C(=O)CBr 2322801 LRYOYMBBBCVNLC-NSHDSACASA-N 309.156 1.775 50 40 DDGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cn1 4724721 HQYGLEPXWGPGJK-LZYBPNLTSA-N 300.274 1.768 50 40 DDGB CO[C@@H](C(=O)N/N=C1/C(=O)Nc2ccccc21)c1ccccc1 20248981 RYFQYWFURCAERI-OAHLLOKOSA-N 309.325 1.847 50 40 DDGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCC(=O)O 409016840 WAHOQVNUPGRRQU-GIDUJCDVSA-N 314.725 1.672 50 40 DDGB [O-]/[N+](=C\c1ccc(N(CCCl)CCCl)cc1)CCO 1706491 ADYWMBWBVJDZDF-BOPFTXTBSA-N 305.205 1.892 50 40 DDGB N#C/C(=C\c1ccc(O)c(I)c1)C(N)=O 1410790 SVSCNAWSTAUXPZ-XVNBXDOJSA-N 314.082 1.389 50 40 DDGB O=C1O[C@@H]2[C@@H](I)[C@H]3C=C[C@@H]4C[C@H]1[C@@H]2[C@@H]43 104295524 VRDRMNZLCOLUNO-QYHQSVFYSA-N 302.111 1.784 50 40 DDGB CCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 15945727 HDSPMVBWJHRGNW-UHFFFAOYSA-N 302.334 1.148 50 40 DDGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccccc1 408735335 NFBUPKXBMLDWIP-VCHYOVAHSA-N 324.319 1.630 50 40 DDGB COCCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1OC 6342050 FSIUMWMOEGIHJM-KPKJPENVSA-N 321.329 1.809 50 40 DDGB biogenic,in-vitro O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)OC(=O)[C@@H]12 408722851 NXSRWXDTRUUPRL-BWRBCVJASA-N 304.301 1.946 50 40 DDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1O 6756643 MFAWGCNDDDVGIH-ZDUSSCGKSA-N 312.281 1.056 50 40 DDGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1cccc(N)c1 96519102 XENSMVVMZIVODH-UWVGGRQHSA-N 308.197 1.458 50 40 DDGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(N)cc1 96519091 AHMORSJGUBWOOC-VHSXEESVSA-N 308.197 1.458 50 40 DDGB Cn1cc([N+](=O)[O-])c(C(=O)Oc2ccc(C=C(C#N)C#N)cc2)n1 69427 RZNJDYDBCKLSDV-UHFFFAOYSA-N 323.268 1.978 50 40 DDGB C/C(N)=C(\C#N)C(=O)CSc1nnnn1-c1ccccc1 104735085 NGOVRQPSDJKYMO-LUAWRHEFSA-N 300.347 1.080 50 40 DDGB O=C(O)/C=C\C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 100230430 KSLSNCWMICFNDU-QXMHVHEDSA-N 324.336 1.607 50 40 DDGB Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)CC(C)C)c1 10160862 PKFPRMSHDPGFFM-UHFFFAOYSA-N 305.378 1.227 50 40 DDGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1n[nH]c2c1CCCC2 5009433 GQXIGXPQMRXWOI-SXGWCWSVSA-N 313.317 1.961 50 40 DDGB CCNC(=S)NNC(=O)c1cc(Br)ccc1O 5272658 NKTMBIDOABRXOU-UHFFFAOYSA-N 318.196 1.284 50 40 DDGB O=C(N/N=C/c1ccncc1)C(=O)Nc1cccc(Cl)c1 5568661 CEBXOOXKIRDSFH-RQZCQDPDSA-N 302.721 1.824 50 40 DDGB CSc1ccc(C)c(C(=O)NNC(=O)Cc2cc(C)[nH]n2)c1 521396398 UQTDNUKYNCCTNU-UHFFFAOYSA-N 318.402 1.752 50 40 DDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccn2)c1O 2276464 XBCISSSBQNQFHY-LZYBPNLTSA-N 316.273 1.468 50 40 DDGB CCCC(=O)N([C@@H]1C[C@H](C)C(C#N)(C#N)C1(C#N)C#N)N(C)C 500611 QCESUACIVCNKOD-QWHCGFSZSA-N 312.377 1.567 50 40 DDGB NNC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1 1385291 IDHREWDOBIUMLI-UHFFFAOYSA-N 322.324 1.628 50 40 DDGB O=C1CC[C@@]2(C[C@H](Br)C(=O)c3ccccc32)C(=O)N1 1870388 WCPWFRUJLWZRLS-HZMBPMFUSA-N 322.158 1.711 50 40 DDGB O=C(O)CCCC(=O)NNC(=O)c1ccc(Br)o1 2110944 ATXBGQIRLNTQLX-UHFFFAOYSA-N 319.111 1.058 50 40 DDGB O=C(CN1CCc2ccccc2C1)NNC(=O)c1cccs1 20962491 NFOTWFBTBAJLAV-UHFFFAOYSA-N 315.398 1.567 50 40 DDGB O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1[N+](=O)[O-] 498355 VRVAHAXVNVGBBJ-OVCLIPMQSA-N 301.258 1.770 50 40 DDGB COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)c(OC)c1 59515490 MINXANPBNREFFO-GZTJUZNOSA-N 319.361 1.166 50 40 DDGB CC(C)C[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccco1 2604018 RZEPMZPIPWSLFE-QWRGUYRKSA-N 310.350 1.814 50 40 DDGB O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1cccc(Cl)c1 2779886 XAKSGSDRASOXTQ-NEPJUHHUSA-N 324.764 1.992 50 40 DDGB Cc1nc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cs1 66897984 ZUQRMRXYEZHDEG-UHFFFAOYSA-N 311.750 1.885 50 40 DDGB Cc1cc(S(=O)(=O)NNC(=O)c2ccncc2)ccc1F 41091230 XOBSOEGSUPGZTA-UHFFFAOYSA-N 309.322 1.152 50 40 DDGB O=C/C=C/c1ccc2c(c1)OCCOCCOCCOCCO2 142016881 GJXZPZNFFDZSJZ-OWOJBTEDSA-N 322.357 1.720 50 40 DDGB COCCCNC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1 264907047 JBDDXPABMROBHE-MDWZMJQESA-N 318.329 1.210 50 40 DDGB CC1=NOC(=O)[C@@]12C(N)=C(C#N)C(C#N)(C#N)[C@H]2c1ccccc1 501152 PCKACTMTICUFCB-DYVFJYSZSA-N 317.308 1.473 50 40 DDGB O=S1(=O)C[C@H](NC(=S)Nc2ccccc2)[C@@H](Cl)C1 2216933 INSMTSZJEXEZRB-UWVGGRQHSA-N 304.824 1.377 50 40 DDGB CC1=C(C#N)[C@@](NC(=O)c2cccc(C)c2)(C(F)(F)F)C(=O)N1 4452594 WUAXOOOJPXLGON-AWEZNQCLSA-N 323.274 1.953 50 40 DDGB O=C(Cc1ccccc1)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 6880704 OXUPJKRDVRALEI-CHWSQXEVSA-N 302.330 1.044 50 40 DDGB O=C(CCl)N(c1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 40177645 CEYZYXHWDOYVCO-JTQLQIEISA-N 303.767 1.151 50 40 DDGB Nc1ccccc1C(=O)N/N=C\c1cc([N+](=O)[O-])c(O)cc1O 4514212 HEIHRPHIUMCQNP-APSNUPSMSA-N 316.273 1.352 50 40 DDGB Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccccc2Cl)n1 6427585 DSGPODDOVNCESR-UHFFFAOYSA-N 320.780 1.543 50 40 DDGB COCCNC(=S)NNC(=O)c1cccc2ccccc12 7062691 CNMHMHBZJIRFAH-UHFFFAOYSA-N 303.387 1.595 50 40 DDGB Cc1nnc(NNC(=O)c2ccccc2Br)nc1O 28561486 YZOCZEGGOMMGRN-UHFFFAOYSA-N 324.138 1.405 50 40 DDGB COc1cccc(/C=N/NC(=O)C(=O)N2CCCCC2)c1OC 59515489 YONUHIGLADAWGU-GZTJUZNOSA-N 319.361 1.166 50 40 DDGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCC(=O)O 59334435 HSZVCDROWHMZFC-GHXNOFRVSA-N 318.329 1.544 50 40 DDGB CNC(=O)/C(C#N)=C1/S[C@H](C)C(=O)N1c1ccc(C)cc1 101113082 ALKTXCBLDYIQML-ABQLBJTMSA-N 301.371 1.945 50 40 DDGB O=C(CCc1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 13681890 WFIZRXAMFCBPJU-NEPJUHHUSA-N 301.795 1.140 50 40 DDGB CC1(C)[C@H]2CC[C@H](C/N=C(\N)CSS(=O)(=O)O)[C@@H]1C2 31723407 VOOABHIKMGRJFC-UTLUCORTSA-N 306.453 1.952 50 40 DDGB N#C/C(C(=O)NCc1ccccc1)=C1/N=C(N)c2ccccc21 73641581 VUNLHAOCDSTOHX-NXVVXOECSA-N 302.337 1.957 50 40 DDGB Cc1cc(C)nc(NNC(=O)Cc2ccc3c(c2)OCCO3)n1 22233372 APJWRJIELPSDSK-UHFFFAOYSA-N 314.345 1.550 50 40 DDGB CC(C)OCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12 32795193 WUHUKLLNVRXXNJ-UHFFFAOYSA-N 318.377 1.927 50 40 DDGB CCOC(=O)Cc1nc(/C(C#N)=C/c2ccco2)[nH]c(=O)c1C#N 8656061 OQJVIXHCPDRPPS-UXBLZVDNSA-N 324.296 1.404 50 40 DDGB CN(C)NC(=O)[C@@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C 100855580 FXOKJOYRPHVSRJ-BZHVJNSISA-N 317.227 1.738 50 40 DDGB NNC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1 225330045 CXDRRYQEIMFGHJ-AWEZNQCLSA-N 315.304 1.223 50 40 DDGB CC(C)(O)C(C)(C)OB(O)c1cccc(CBr)c1 196314293 GHYOOOHAFCTORT-UHFFFAOYSA-N 315.016 1.835 50 40 DDGB O=C(NNC(=O)c1nc(O)c2ccccc2n1)c1ccccc1 32975732 GVIPSEMBRAFBGG-UHFFFAOYSA-N 308.297 1.410 50 40 DDGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3055805 YQJGEDPZFBUFHP-GIDUJCDVSA-N 302.161 1.968 50 40 DDGB CCOc1ccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)cc1 100243902 ZFAJTSDVDJXSHE-FBJMNJBLSA-N 316.361 1.438 50 40 DDGB O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1cccc(Cl)c1 2779885 XAKSGSDRASOXTQ-RYUDHWBXSA-N 324.764 1.992 50 40 DDGB O=C(N/N=C/c1ccccn1)C(=O)Nc1ccccc1Cl 4499519 AWMDFLAHAQFION-RQZCQDPDSA-N 302.721 1.824 50 40 DDGB COCc1n[nH]c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 4473448 NSVUTDRGIZQVRW-ZDUSSCGKSA-N 312.329 1.783 50 40 DDGB CCN1C(=O)/C(=C\NNC(=O)c2ccccc2)SC1=S 13816090 XPBWZOKRGSJONJ-CSKARUKUSA-N 307.400 1.643 50 40 DDGB CN(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 59515493 UAUJSNXGUGRFKQ-SFQUDFHCSA-N 302.378 1.215 50 40 DDGB Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)o1 12763241 OFARGHQWEKTOIA-UHFFFAOYSA-N 302.286 1.700 50 40 DDGB Cc1ccsc1/C=N/NC(=O)C(=O)NCc1cccnc1 4703140 HDOJGUFNYKQXLU-RQZCQDPDSA-N 302.359 1.218 50 40 DDGB COc1ccc(CNC(=O)/C(C#N)=C/N2CCOCC2)cc1 96343690 PVUSRSBBWWJXAX-WYMLVPIESA-N 301.346 1.051 50 40 DDGB CCOc1c(Cl)cc(C(=O)NNC(=O)C2CC2)cc1OC 15793924 VZLDOMUCTDYAPL-UHFFFAOYSA-N 312.753 1.918 50 40 DDGB CCOC(=O)c1ccc(NC(=O)CCNC(=O)CCl)cc1 8733071 AFTSWHXYJMYHNK-UHFFFAOYSA-N 312.753 1.547 50 40 DDGB N#C/C(=C\c1c(N2CCCCC2)nc2ccccn2c1=O)C(N)=O 2199933 RSRAMUOHQBNMKV-ZRDIBKRKSA-N 323.356 1.077 50 40 DDGB Cc1c(C(=O)N/N=C/c2ccc(O)c(O)c2)nc2ccccn12 3356490 QNVMVRKEHKGLNF-RQZCQDPDSA-N 310.313 1.818 50 40 DDGB NS(=O)(=O)c1cc(Cl)c(NC(=O)CCl)c(Cl)c1 3342813 UEYNKZYANDSHDG-UHFFFAOYSA-N 317.581 1.818 50 40 DDGB COc1nc(C(=O)NNC(=O)c2ccccn2)cc2ccccc12 65595887 QFDVBDWXBBWLQO-UHFFFAOYSA-N 322.324 1.713 50 40 DDGB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@H]1[C@H](Cl)[C@H](Cl)[C@H]21 4592749 VVNNZLSINMNERG-ZJTBKPELSA-N 317.168 1.906 50 40 DDGB O=C(COc1cccc(F)c1)NNC(=O)c1cccnc1Cl 7738039 CIZIMVMZHLYBOL-UHFFFAOYSA-N 323.711 1.714 50 40 DDGB C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(N)cc1 33324218 WGLMNHYAOLSARI-XDHOZWIPSA-N 322.372 1.944 50 40 DDGB C[C@@]1(NC(=O)OC[C@H](Cl)CCl)CCS(=O)(=O)C1 59568573 ZAPHEALQIYEHME-VXNVDRBHSA-N 304.195 1.136 50 40 DDGB N#CSc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 11637725 HCLKMVKHWHKFPK-UHFFFAOYSA-N 303.343 1.737 50 40 DDGB CC(C)(C)c1nnc(NNC(=O)c2ccccc2Cl)[nH]c1=O 22854036 INFHTZNXYRFNOZ-UHFFFAOYSA-N 321.768 1.873 50 40 DDGB Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])cs1)C(C#N)=C(N)O2 4010450 DWDNJJSWGXITJW-SNVBAGLBSA-N 303.303 1.906 50 40 DDGB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(B(O)O)cc1 575432087 CZTIXHIHPCXKCK-UHFFFAOYSA-N 309.052 1.638 50 40 DDGB C/C(=N/NC(=O)c1ccoc1C)c1ccccc1OCC(N)=O 17053173 QTCJNCHULMBLAD-ZDLGFXPLSA-N 315.329 1.606 50 40 DDGB Cc1cc(C)c(NCC(=O)NNC(=O)c2ccccn2)c(C)c1 9743274 NUAOCXDARBYDBB-UHFFFAOYSA-N 312.373 1.880 50 40 DDGB COC(=O)c1ccc(COc2ccccc2/C=N/NC(N)=O)o1 2237462 KFFPZKKNFUGOKS-CAOOACKPSA-N 317.301 1.647 50 40 DDGB O=C(O)CCC(=O)NNC(=O)c1cccc(Br)c1 3195186 CLBOTRYMIKNJTH-UHFFFAOYSA-N 315.123 1.075 50 40 DDGB O=C(N/N=C/c1ccccc1)c1[nH]c(=O)c2ccccc2c1O 4714778 JSBSYWCCJLANOV-VCHYOVAHSA-N 307.309 1.998 50 40 DDGB NNC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1N 57054039 OPWVJYVQPRKAOH-OAHLLOKOSA-N 304.781 1.591 50 40 DDGB CCOc1ncccc1CNC(=O)NNC(=O)c1ccoc1C 58168154 JYDOTBRSWJATAW-UHFFFAOYSA-N 318.333 1.526 50 40 DDGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CC(C)C)c1C 10160568 ASCVDYZYWPOFPX-UHFFFAOYSA-N 309.366 1.615 50 40 DDGB COC(=O)[C@H]1C[C@H](Cl)CN1S(=O)(=O)c1cccs1 4002043 LSBVQDQGACTJDL-JGVFFNPUSA-N 309.796 1.292 50 40 DDGB Cc1cc2ccccc2n1CC(=O)NNC(=O)c1cccn1C 68525296 OQXPNQIXISVOOV-UHFFFAOYSA-N 310.357 1.749 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)NC3CCCC3)ccc21 409193250 IDDXNSXAZSFFCU-LCYFTJDESA-N 324.384 1.843 50 40 DDGB O=P1(O)c2ccccc2CS(=O)(=O)Cc2ccccc21 1870350 HVKDIWZSRHINDC-UHFFFAOYSA-N 308.295 1.336 50 40 DDGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(N)=C(C#N)C#N)ccc21 100631637 SSDAZUCBYVDBFB-VZUCSPMQSA-N 304.313 1.044 50 40 DDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccncc1 59434004 OPWPHLCUIVDLFP-VCHYOVAHSA-N 312.329 1.487 50 40 DDGB O=C(CSc1ccccc1F)NNC(=O)c1ccncc1 5173834 GJMAWIWTTLOEAS-UHFFFAOYSA-N 305.334 1.774 50 40 DDGB Cc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)n1 131949 GNUMTWNYROTTNH-LZYBPNLTSA-N 309.333 1.208 50 40 DDGB COc1ccc(NC(=O)/C(C#N)=C/N2CCN(C)CC2)cc1 20573727 ZKVGSRBIVKRREH-OUKQBFOZSA-N 300.362 1.289 50 40 DDGB CC(C)(C)OC(=O)NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 102407343 ZQWFURSHJDVEFJ-LLVKDONJSA-N 323.324 1.487 50 40 DDGB N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@@H]1c1cccc(Cl)c1 481931 WPIAIRQLZSUJTL-SECBINFHSA-N 316.704 1.347 50 40 DDGB N#CC1=C(N)NC(N)=C(C#N)C1c1ccccc1Br 494829 AHGOWRRWCGNCGP-UHFFFAOYSA-N 316.162 1.524 50 40 DDGB C[C@H](Br)[C@@H](Br)C(=O)N1CCOCC1 1690350 ARPDEGNOVJFRQA-NKWVEPMBSA-N 315.005 1.392 50 40 DDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)N(CC)CC)cc1 3058069 PXYCWBVCDXCXBF-SFQUDFHCSA-N 303.362 1.570 50 40 DDGB Cc1cccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)n1 217377165 YDQIRUUVJADHLM-SNVBAGLBSA-N 302.783 1.149 50 40 DDGB COc1ccc(CC(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 5729787 BRMNOSIJXODBJZ-UHFFFAOYSA-N 309.325 1.710 50 40 DDGB N#Cc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 3226790 LRXCGWFPQPKHCF-UFWORHAWSA-N 321.262 1.924 50 40 DDGB COCc1n[nH]c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 5075356 VTBZZXLFGBMVOP-LBPRGKRZSA-N 300.293 1.913 50 40 DDGB Cc1ccc(C(=O)N/N=C\C=N\NC(=O)c2ccc(C)nc2)cn1 4694218 OHEVEIHONQRTIQ-NORIJPHCSA-N 324.344 1.225 50 40 DDGB O=C(NN[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccn1 15461099 IOSSOVICCFVCSD-INIZCTEOSA-N 324.384 1.680 50 40 DDGB O=C(NNC(=O)c1ccccn1)c1cnn(Cc2ccccc2)c1 7909931 BMHWYOCCJHSMOA-UHFFFAOYSA-N 321.340 1.401 50 40 DDGB COc1cccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c1 325265 CAEXBMMLMUKZAS-UHFFFAOYSA-N 320.370 1.627 50 40 DDGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)NCc1ccccn1 59515702 PGVLLAHBFBCFNC-STZFKDTASA-N 324.384 1.823 50 40 DDGB O=C1N[C@H]2C=C[C@H]3[C@H](Br)[C@H](Br)[C@H]3[C@@H]12 104280924 AOIDITPIVSOXMY-KQDJMFFBSA-N 306.985 1.444 50 40 DDGB Cc1cc(C(=O)NNC(=O)/C=C/c2c(C)nn(C)c2C)c(C)o1 15834747 NQMNHFQBFBVULK-VOTSOKGWSA-N 316.361 1.721 50 40 DDGB CC1=C(C#N)[C@](NC(=O)c2cccs2)(C(F)(F)F)C(=O)N1 4127127 BGOWYMDCARNGRM-LLVKDONJSA-N 315.276 1.706 50 40 DDGB O=C1CC[C@H](C(=O)N/N=C/c2ccc(Br)cc2)N1 4724659 CZMLTVRPKMOMOX-FBWGLTFQSA-N 310.151 1.178 50 40 DDGB O=C(CN1CCCCC1)N/N=C/c1ccc(Br)o1 408993685 FASGSYXOQAFEAG-RIYZIHGNSA-N 314.183 1.978 50 40 DDGB CCO[Si](CCCNC(=O)OC[C@@H]1CO1)(OCC)OCC 218469842 YNTCEMPAYDBVPE-LBPRGKRZSA-N 321.446 1.550 50 40 DDGB COc1ccc(-c2ccc(/C=C/C(=O)NN)o2)cc1[N+](=O)[O-] 226257466 NFDWMDXNIXKFLH-QPJJXVBHSA-N 303.274 1.867 50 40 DDGB COc1cc(/C(C)=N/NC(=O)Cc2c(O)n[nH]c2C)ccc1O 56191 POXJATRQGWSYJM-LZYBPNLTSA-N 318.333 1.221 50 40 DDGB O=c1[nH]cnc2c1ncn2CCCN(CCCl)CCCl 4714894 UQNUUSIMTCBQGW-UHFFFAOYSA-N 318.208 1.289 50 40 DDGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCC(F)(F)F)C(=O)OC2=O 100748411 GLOGKLLPPPTWTD-NEPJUHHUSA-N 307.268 1.561 50 40 DDGB CCCc1n[nH]c2c1[C@@]1(CCN(C)C[C@H]1C)C(C#N)=C(N)O2 3635288 FZCHSDCLWQAGAW-QLJPJBMISA-N 301.394 1.658 50 40 DDGB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)C(=O)[C@@H]2Br 4284004 XUJHKPSBHDQIOD-PJKMHFRUSA-N 311.197 1.643 50 40 DDGB Cc1ccc(OCC(=O)N/N=C\c2cccn2C)c([N+](=O)[O-])c1 31871164 PTQCZJNAWVVTNC-SXGWCWSVSA-N 316.317 1.771 50 40 DDGB NNC(=O)c1ccnc(OCC(F)(F)F)c1Br 725326146 UGHLXILCXGTCET-UHFFFAOYSA-N 314.061 1.389 50 40 DDGB CC(=O)c1ccc(CC(=O)NNC(=O)c2cccs2)cc1 32921946 YHVQAUFPEGLIRX-UHFFFAOYSA-N 302.355 1.954 50 40 DDGB CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)O)[C@@]1(C)CBr 4228072 AJNCBTVQNLELOB-AXTRIDKLSA-N 306.200 1.977 50 40 DDGB NNC(=O)c1nnn(Cc2ccc(Cl)cc2)c1-n1cccc1 67172558 PHPKNHKWQXAJIU-UHFFFAOYSA-N 316.752 1.374 50 40 DDGB O=C(CN1CCOCC1)N/N=C\c1ccc(-c2ccccc2)o1 409001443 VTZXEOWLDAVEMP-PDGQHHTCSA-N 313.357 1.729 50 40 DDGB C[C@H](Oc1ccc(/C=N/NC(=O)c2cccnc2)cc1)C(=O)O 39557423 BBKNRFVRQIWYAO-KECVIQKOSA-N 313.313 1.697 50 40 DDGB CCOC(=O)/C=C1\CCCN1C(=O)CI 96528449 MNECKHJWWKQYQX-SOFGYWHQSA-N 323.130 1.491 50 40 DDGB Cc1ccc([Si]23O[C@H](C)CN(C[C@@H](C)O2)C[C@@H](C)O3)cc1 255999350 RJYZTDRNUSJCCJ-RBSFLKMASA-N 307.466 1.685 50 40 DDGB CC(C)C(=O)NNC(=O)CSc1nncn1-c1ccccc1 32673629 VMTKPIMJLCPXNB-UHFFFAOYSA-N 319.390 1.163 50 40 DDGB COc1ccnc(NNC(=O)Cc2csc(C(C)C)n2)n1 43034805 FQBWNWWRZSFQGZ-UHFFFAOYSA-N 307.379 1.751 50 40 DDGB C/C(N)=C(/C#N)C(=O)COC(=O)COc1ccc(Cl)c(C)c1 22089512 QIPAGDHGFKBFTA-ZRDIBKRKSA-N 322.748 1.896 50 40 DDGB O=C(N/N=C\c1ccc(O)c(O)c1)[C@@H]1COc2ccccc2O1 31871116 WQUVDUXLFXZBEL-QTISIFFUSA-N 314.297 1.388 50 40 DDGB COC(=O)COc1cccc(/C=N/NC(=O)c2cccnc2)c1 566079 OTOYDGAISPWIIS-GIJQJNRQSA-N 313.313 1.397 50 40 DDGB C/C(=N/NC(=O)Cn1nc(C)cc1C)c1ccc([N+](=O)[O-])cc1 12446036 NESXUXRBROSOHL-VBKFSLOCSA-N 315.333 1.949 50 40 DDGB C/C(=N\NC(=O)c1ccccc1O)c1c(O)cc(C)oc1=O 100751428 SBZOHJIAHKMQJG-CXUHLZMHSA-N 302.286 1.513 50 40 DDGB O=C(C=C(C1CC1)C1CC1)NNC(=O)Cn1cnc2ccccc21 56094752 MMCNPLSTDOFOAB-UHFFFAOYSA-N 324.384 1.930 50 40 DDGB CCCc1nnc(SCC(=O)NNC(=O)c2ccccc2)o1 7604855 ASJHZFWVMZMZAJ-UHFFFAOYSA-N 320.374 1.575 50 40 DDGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccccn1 7893306 WAQVYRSGWHTLLY-GZTJUZNOSA-N 316.386 1.744 50 40 DDGB CCc1n[nH]c2c1[C@@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2 8721224 DMLRVIIOKIJLBQ-QGZVFWFLSA-N 321.340 1.605 50 40 DDGB NNC(=O)Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21 226101826 QVUVLEKPZNYYNZ-UHFFFAOYSA-N 309.325 1.784 50 40 DDGB O=C(O)CCC(=O)NNC(=O)c1ccc(Br)cc1 3141196 VMIZRPDOCYURHD-UHFFFAOYSA-N 315.123 1.075 50 40 DDGB COC1=CC(=O)C(Cc2ccc(OC)cc2)=C/C1=N/NC(N)=O 104227069 BTTXVADYIIWKDL-AQTBWJFISA-N 315.329 1.301 50 40 DDGB Cn1nccc1/C=N/NC(=O)c1cccc(Br)c1 2801046 XRXHIAIYHIPLMV-RIYZIHGNSA-N 307.151 1.947 50 40 DDGB CC(C)C(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1 12622931 IFMDWYGNGLXKQG-UHFFFAOYSA-N 311.190 1.959 50 40 DDGB COC(=O)[C@@H](Br)[C@@H](O)c1ccc(OC)c(OC)c1 1673142 RYYMZWXGKKBRNJ-QWRGUYRKSA-N 319.151 1.674 50 40 DDGB COc1ccccc1/C=N/NC(=O)C(=O)NC1CCCCC1 59386584 GIRYOXQIEPLQEK-GZTJUZNOSA-N 303.362 1.594 50 40 DDGB CCCCN(CC)CC(=O)NNC(=O)Cc1nc(C)cs1 71802003 PGENEKIHKLZLPT-UHFFFAOYSA-N 312.439 1.263 50 40 DDGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccccc1 8122817 UBNCHCHJKBBDGJ-UHFFFAOYSA-N 308.135 1.852 50 40 DDGB Cc1cc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)no1 252510402 ZJHXDFAETSTAHJ-PJQLUOCWSA-N 301.228 1.506 50 40 DDGB CCOC(=O)[C@H](/C=C(\C#N)S(=O)(=O)c1ccccc1)C(C)=O 16682087 LXBXIELCTRUCCA-KADHNRKRSA-N 321.354 1.636 50 40 DDGB CC(=O)NNC(=S)N/C=C(\C#N)c1nc2ccccc2s1 104304804 DFXLNIBJTYMDMB-VQHVLOKHSA-N 317.399 1.676 50 40 DDGB Cc1cc(C)cc(OCC(=O)NNC(=O)CCCC(=O)O)c1 12137476 WIMCWYFBMRDBAQ-UHFFFAOYSA-N 308.334 1.085 50 40 DDGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2cnccn2)c(C)c1 12815084 ZWEOEDHZESGADE-UHFFFAOYSA-N 320.374 1.025 50 40 DDGB C/C(=N\NC(=O)CSCc1ccccc1)[C@@H]1CCOC1=O 18193952 BMLJSRCMBNYRTR-XDUBLRSXSA-N 306.387 1.975 50 40 DDGB COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1cccnc1 34106876 UGZTXQRGTACOEN-GZTJUZNOSA-N 305.334 1.346 50 40 DDGB O=C(CN1CCOCC1)N/N=C/c1ccc(Cl)cc1Cl 19229070 DYAWAUVEQHNORA-LZYBPNLTSA-N 316.188 1.776 50 40 DDGB Cc1n[nH]c2c1[C@H](c1cc([N+](=O)[O-])cs1)C(C#N)=C(N)O2 4010451 DWDNJJSWGXITJW-JTQLQIEISA-N 303.303 1.906 50 40 DDGB COCCNC(=O)CC(=O)N/N=C/c1cccc2ccccc12 3062026 HKUDPDDOPKIAKY-XDHOZWIPSA-N 313.357 1.443 50 40 DDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 7813111 OPEOZJQQRIVGAW-HPAYWCODSA-N 313.357 1.910 50 40 DDGB NNC(=O)N/N=C\c1ccc(N(CCCl)CCCl)cc1 104064886 YJAKWYXLQXEFFP-SXGWCWSVSA-N 318.208 1.477 50 40 DDGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCC(=O)O 59334787 HLWGURRXQICTGV-ZROIWOOFSA-N 314.341 1.874 50 40 DDGB Cc1cccc(N2C[C@@H](C(=O)NNC(=O)C3CC3)CC2=O)c1C 14290422 KAVGKJONZIBBEQ-ZDUSSCGKSA-N 315.373 1.214 50 40 DDGB Cn1cccc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 546392 WQLOMUMXEFNRIX-OQLLNIDSSA-N 302.290 1.462 50 40 DDGB O=C(CCc1ccccc1)O[C@H]1CS(=O)(=O)C[C@H]1Cl 5900084 XCCQIGXXZKUQPW-NEPJUHHUSA-N 302.779 1.567 50 40 DDGB O=C(CCc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 13681896 WFIZRXAMFCBPJU-VXGBXAGGSA-N 301.795 1.140 50 40 DDGB COC1=C(C(C)=O)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 49947117 LKDHVMCHVBNVPP-INIZCTEOSA-N 311.297 1.048 50 40 DDGB C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccnc1 577865 HNVFBQJZTGSHOM-JTQLQIEISA-N 319.748 1.964 50 40 DDGB CCn1c([P@](=O)(O)c2ccccc2)nc2cc(N)ccc21 100747048 OZUUMYZIQPVFGQ-UHFFFAOYSA-N 301.286 1.860 50 40 DDGB CCC(=O)N/N=C(\C)CC(=O)Nc1ccc(NC(C)=O)cc1 13895966 NKUDDFQUKJZNTJ-VCHYOVAHSA-N 304.350 1.876 50 40 DDGB CCOC(=O)N1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@H]2C#N 6621038 HREYHIMWOSCUGY-SECBINFHSA-N 320.374 1.160 50 40 DDGB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NN 218706767 CRPAPZOKDZAWEI-SNVBAGLBSA-N 304.177 1.738 50 40 DDGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1cccc2ccccc12 100151564 CSNAEZXALLKKFR-BFERYNQYSA-N 308.341 1.802 50 40 DDGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(O)cc1 30735365 KLPMPPSIDXYJHK-JFUPFHIVSA-N 323.352 1.372 50 40 DDGB Cn1ncc2c(NNC(=O)c3ccccc3Cl)ncnc21 547500 BPZBBZLBKBIZKG-UHFFFAOYSA-N 302.725 1.774 50 40 DDGB O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C1CCCC1 47451577 KABQWTNCLDLDJQ-LBPRGKRZSA-N 307.394 1.115 50 40 DDGB CCc1ccc(OCC(=O)NNC(=O)c2cc(C)n[nH]2)cc1 8684694 XTLJZZDJJTWZBL-UHFFFAOYSA-N 302.334 1.121 50 40 DDGB C=CCOc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)c1 408969373 MVLACTMFILMAPX-OOIIIRTPSA-N 303.362 1.616 50 40 DDGB