smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)C(=O)[C@@]12CC[C@](C)(C(=O)OC1=O)C2(C)C 100748401 LSNGZNHEEACLJA-OLZOCXBDSA-N 253.298 0.971 50 40 CCGB O=C(N/N=C/c1cccc(O)c1)C(=O)N1CCCCC1 58884599 DSMZCEVAZMPOKE-XNTDXEJSSA-N 275.308 0.855 50 40 CCGB COc1cc(/C=N\NC(=O)c2cc[n+]([O-])cc2)ccc1O 73021697 SRCYXKWWTFBYCB-DHDCSXOGSA-N 287.275 0.798 50 40 CCGB NNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 225404683 BHSJTJXXICNGPC-SECBINFHSA-N 264.285 0.801 50 40 CCGB Cc1nn(C)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 4625921 UOTZRRZUNHZECU-LLVKDONJSA-N 270.296 0.978 50 40 CCGB CSc1ncccc1C(=O)NNC(=O)[C@@H]1CCCO1 32259431 YDRXRFSOXVREDY-VIFPVBQESA-N 281.337 0.744 50 40 CCGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@H]1c1cccnc1 16429933 FARDKLNVHJFBAZ-JTQLQIEISA-N 255.233 0.700 50 40 CCGB COc1ccc(/C(=N\NC(N)=O)C(OC)OC)cc1 17161988 DNVNOZMJRFNVTQ-GXDHUFHOSA-N 267.285 0.687 50 40 CCGB NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 103796 JOXCMOZCUIPBDM-QMMMGPOBSA-N 289.382 0.139 50 40 CCGB N#C/C(=C/c1ccc(/C=C(/C#N)C(N)=O)cc1)C(N)=O 436149 MYGNBPLKWYTSCS-CBIKUMSCSA-N 266.260 0.471 50 40 CCGB O=C(CN1CCCCCC1=O)NNC(=O)c1cccs1 23980160 YNTNJTPLAXZQJS-UHFFFAOYSA-N 295.364 0.912 50 40 CCGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 6827447 UQDIZFLAYSXGOI-KPKJPENVSA-N 287.319 0.982 50 40 CCGB CSCC[C@@H]1NC(=O)C(/C(C)=N/NC(N)=O)=C1O 102887608 VJFSXNWFFCYLDO-ZPORPUSKSA-N 272.330 0.094 50 40 CCGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(O)cc1 4525734 BVXUQOIVUVLRRD-NTEUORMPSA-N 263.297 0.711 50 40 CCGB COCCNC(=S)NNC(=O)Nc1ccccc1OC 408585361 FPNVDEDLVIEPAY-UHFFFAOYSA-N 298.368 0.842 50 40 CCGB CCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13622973 GGDYNMGFOUUAAU-GFCCVEGCSA-N 289.335 0.593 50 40 CCGB CCOC(=O)NNC(=O)[C@H]1CCCN(c2ncccn2)C1 32795750 GUOWVXVNDUJPEH-JTQLQIEISA-N 293.327 0.470 50 40 CCGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccccc1F 100151453 CIMAQSMYARHYHM-MIJYTDESSA-N 276.271 0.788 50 40 CCGB BrCc1cn(CCN2CCOCC2)nn1 52226614 TUVJSEJEYCJPNW-UHFFFAOYSA-N 275.150 0.505 50 40 CCGB NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 286068 JEYKPXYLDQQNKI-UHFFFAOYSA-N 283.353 0.465 50 40 CCGB CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O 4215065 DAVPSCAAXXVSFU-ALEPSDHESA-N 280.143 0.897 50 40 CCGB in-man O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(O)cc1 7812989 HAXDACMSXKKMLU-LZYBPNLTSA-N 287.275 0.752 50 40 CCGB COCCNC(=O)C(=O)NN=C1CCCCCC1 58885616 KXRVXKHYLGKRPU-UHFFFAOYSA-N 255.318 0.575 50 40 CCGB CCCOc1ccc(/C=N/NC(=O)C(N)=O)cc1OC 3575458 BQWDZUBXZZIHRO-OVCLIPMQSA-N 279.296 0.419 50 40 CCGB COC(=O)N/N=C/c1ccccc1OCC(=O)O 4739441 VEDYKCARTQXLMH-WUXMJOGZSA-N 252.226 0.840 50 40 CCGB CCOC(=O)/C(C#N)=C\C=C1\C=CNC2=NCCN21 17217730 KYCCQEPHQYGGBL-NPHMRBADSA-N 258.281 0.672 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1O 7812947 JNQLPMRDFIVDLP-MBBDXHFBSA-N 263.297 0.757 50 40 CCGB CCN1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101315069 UJZJLABPBMJZKV-ZZMPCMCBSA-N 296.801 0.342 50 40 CCGB Cc1nnc(SCC(=O)NN)n1-c1ccccc1 4201752 XKNSUHVELFAFDE-UHFFFAOYSA-N 263.326 0.658 50 40 CCGB NC1=N/C(=N\NC(=O)c2ccccn2)c2ccccc21 5266798 YDAXNNBARJAWPJ-UHFFFAOYSA-N 265.276 0.892 50 40 CCGB NNC(=O)CS(=O)(=O)c1ccc(Br)cc1 96511641 XLRXCOSXNSIEHW-UHFFFAOYSA-N 293.142 0.213 50 40 CCGB CC(C)C(=O)N1C[C@H](C(=O)NN)Oc2ccccc21 225328866 DZYQKSICBZJHRW-LLVKDONJSA-N 263.297 0.427 50 40 CCGB O=C(CN1CCCC1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 175171 MZQPGQJZLNAQRE-RIYZIHGNSA-N 292.295 0.846 50 40 CCGB COc1cc(/C=N/NC(N)=O)c([N+](=O)[O-])cc1OC 7894799 FIZMTQJTGKLBPY-LFYBBSHMSA-N 268.229 0.614 50 40 CCGB CCOC(=O)CN(/N=C/c1ccc([N+](=O)[O-])o1)C(N)=O 1684390 ONHUPCAVZVIYFY-LFYBBSHMSA-N 284.228 0.466 50 40 CCGB CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Br)C1 234344484 WFQDZMJJCMQOSA-HTQZYQBOSA-N 277.162 0.754 50 40 CCGB CCOc1ccc(CC(=O)NNC(N)=S)cc1 15423295 YCOXBLQINSIESV-UHFFFAOYSA-N 253.327 0.492 50 40 CCGB COc1cc(/C=N/NC(=O)C[C@@H](C)O)ccc1O 1703047 BSSRACQDSKDDJJ-OREIZAMCSA-N 252.270 0.622 50 40 CCGB Cc1cc(C)nc(NNC(=O)Cn2nnc3ccccc32)n1 58416612 SCEYPIGKNWNQSL-UHFFFAOYSA-N 297.322 0.981 50 40 CCGB COc1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-] 2676384 JSCOYUNWXGICBZ-UHFFFAOYSA-N 256.174 0.115 50 40 CCGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccncc1 59459621 OBHYFMMGKZRZQN-CXUHLZMHSA-N 262.313 0.694 50 40 CCGB Nc1nnc(CC(=O)N/N=C\c2cccc(O)c2)s1 33145012 APOSZNUPYRCERD-MLPAPPSSSA-N 277.309 0.519 50 40 CCGB C[C@H]1CCc2c(sc3ncn(CC(=O)NN)c(=O)c23)C1 143674 GLFMBWOVBOMOAE-ZETCQYMHSA-N 292.364 0.573 50 40 CCGB NNC(=O)CC12C[C@@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 100772173 BODJGEZOICZQSL-WPMGSTCASA-N 276.344 0.349 50 40 CCGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)CCC(=O)O)cc1 6845660 SKLILZDRGKPFKA-SNVBAGLBSA-N 294.307 0.775 50 40 CCGB O=C(Cl)[C@H]1CC(=O)N(CCCN2CCOCC2)C1 45958453 IQBSYVYJIQRJIR-JTQLQIEISA-N 274.748 0.323 50 40 CCGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(N)=O 16688896 IBUOEIXVJPERBT-YHYXMXQVSA-N 289.291 0.342 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(OC)cc1 3062054 XNFOHEUGTUFSED-MHWRWJLKSA-N 275.308 0.838 50 40 CCGB O=C(NCCCl)NCc1nnnn1-c1ccc(F)cc1 9616579 QHRQXBLRIUEVRO-UHFFFAOYSA-N 298.709 0.839 50 40 CCGB CN(C)c1nc(N)nc(/C(C#N)=C/c2cnn(C)c2)n1 11298323 NXKLWYOFRYXXGL-RUDMXATFSA-N 270.300 0.317 50 40 CCGB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1cccs1 9485481 YPXMOTDEXOQXCM-RNFRBKRXSA-N 279.770 0.882 50 40 CCGB N/C(=N\NC(=O)c1ccc(O)cc1)c1cccnc1 54363745 NIYSONAUCYPKQP-UHFFFAOYSA-N 256.265 0.838 50 40 CCGB COCCNC(=O)C(=O)N/N=C(\C)CCc1ccccc1 58885606 XPHFSDAHNZHFQJ-SFQUDFHCSA-N 291.351 0.874 50 40 CCGB NNC(=O)C1CCN(C(=O)c2cccs2)CC1 66057360 FQJUDVDBVZHVGT-UHFFFAOYSA-N 253.327 0.590 50 40 CCGB C/C(CN1C(=O)CCC1=O)=N/NC(=O)c1ccccc1 342984 UQMAMQKMKPNZEB-GDNBJRDFSA-N 273.292 0.941 50 40 CCGB O=C(O)[C@H]1CO[P@@](=O)(N(CCCl)CCCl)N1 1607342 KARSYOCVUSPXFA-ADNUTGFCSA-N 291.071 0.947 50 40 CCGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 59515672 VFASEPPWOCFKSN-NTEUORMPSA-N 290.279 0.667 50 40 CCGB O=C(NNC(=O)C1CCC1)c1ccc2c(c1)OCO2 8272984 COLIOHCPTYEABU-UHFFFAOYSA-N 262.265 0.976 50 40 CCGB CC(C)(C)CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 9051599 JRPTULCIYCYGOR-SFYZADRCSA-N 267.778 0.943 50 40 CCGB Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cn2C)o1 9691052 WMJSTNVRDJHGFV-UHFFFAOYSA-N 292.251 0.910 50 40 CCGB CCCCC[C@@H](O)CCC(=O)NNC(=O)CCC(=O)O 4953503 NCNJABXAZVMCBG-SNVBAGLBSA-N 288.344 0.720 50 40 CCGB CC(NC(=O)NNC(N)=S)(C(F)(F)F)C(F)(F)F 13686710 HOLKTXAAWDFALQ-UHFFFAOYSA-N 298.212 0.917 50 40 CCGB NC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 211993837 PANOSNKDFCSJCJ-RIYZIHGNSA-N 293.283 0.434 50 40 CCGB CCC[C@H](C(=O)NN)N1CCN(c2ccccc2)CC1 22123648 SIRKQWKQUFUCJM-CQSZACIVSA-N 276.384 0.967 50 40 CCGB CCOC(=O)/C=C/C(=O)NNC(=O)OC(C)(C)C 1561342 IUJMKEMQPKRIRK-VOTSOKGWSA-N 258.274 0.662 50 40 CCGB O=C1NCCC[C@H]1C(=O)N/N=C/c1ccc(F)cc1 59461523 ATGCPQMYVLGDMZ-FNQVVVRFSA-N 263.272 0.802 50 40 CCGB COc1cc([N+](=O)[O-])ccc1NC(=S)NNC=O 6289146 SLCFLFRGYMDIEW-UHFFFAOYSA-N 270.270 0.551 50 40 CCGB CCN1C(=O)/C(=N\NC(=O)C(C)(C)O)c2ccccc21 5244413 DAUPZXHSLCGNIZ-PTNGSMBKSA-N 275.308 0.644 50 40 CCGB C/C(=N\NC(=O)Cn1cncn1)c1ccc2c(c1)OCO2 5725299 CUEDVMCYVMYXAC-CXUHLZMHSA-N 287.279 0.547 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCCO2 5384417 YSUNGJZMZRLPML-OVCLIPMQSA-N 291.307 0.433 50 40 CCGB O=C(N/N=C/c1ccccn1)C(=O)NC1CCCCC1 59516091 KIOOSWVGTFJURA-MHWRWJLKSA-N 274.324 0.981 50 40 CCGB O=C(NCc1ccco1)C(=O)NNC(=O)c1ccccc1 9504118 IVIATKLPYFFTNX-UHFFFAOYSA-N 287.275 0.357 50 40 CCGB COc1ccc(/C=N/NC(N)=O)c(OC)c1OC 1571903 SBBBMUGGYKGSIB-AWNIVKPZSA-N 253.258 0.715 50 40 CCGB O=C(O)CCC(=O)NNC(=O)Cc1ccc(Cl)cc1 2794838 KPEZGRZZRWKGQY-UHFFFAOYSA-N 284.699 0.895 50 40 CCGB COC(=O)C1=CC(=O)O[C@@]1(OO)c1ccccc1 73329589 BCILQSGYQQGGLU-GFCCVEGCSA-N 250.206 0.985 50 40 CCGB O=C(NNC(=O)c1ccn[nH]1)c1ccc2c(c1)OCO2 44917790 VBUQDROCCBMJEO-UHFFFAOYSA-N 274.236 0.213 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1 3009128 IVWWNXCEASGTOL-OQLLNIDSSA-N 263.297 0.672 50 40 CCGB biogenic NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCl 12504956 IIUNBAYUUAETNG-UHFFFAOYSA-N 274.729 0.462 50 40 CCGB CC[C@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9575434 LPTMDSYLRLZOTE-FXQIFTODSA-N 253.751 0.553 50 40 CCGB CC(=O)OC[C@H]1O[C@H](Br)[C@@H](F)[C@@H]1OC(C)=O 82049643 RRMQYPUUXPVYJW-XAVMHZPKSA-N 299.092 0.939 50 40 CCGB NNC(=O)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 1888986382 LICJYLAUDKJLTA-SECBINFHSA-N 251.261 0.164 50 40 CCGB CCN1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101315070 UJZJLABPBMJZKV-OOIYLOBCSA-N 296.801 0.342 50 40 CCGB CC[C@]1(C)S(=O)(=O)C[C@H](CCl)S1(=O)=O 1685905 CJYZXZOSIGSEAG-NKWVEPMBSA-N 260.764 0.563 50 40 CCGB CO[C@H]1O[C@@H](CNCCCl)[C@H]2OC(C)(C)O[C@@H]12 4720984 YXGBRBCOIUNIDV-JLIMGVALSA-N 265.737 0.706 50 40 CCGB COc1ccccc1/C=N\NC(=O)C[N+](C)(C)C 4744330 AYKPNBVHZXKFQM-ZROIWOOFSA-O 250.322 0.852 50 40 CCGB Cc1cc(C(=O)NNC(=O)/C=C/C(=O)O)cs1 2744087 RJIOGMPABSJQOY-NSCUHMNNSA-N 254.267 0.458 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 408973196 XJVCWIDYUOKGJY-MBBDXHFBSA-N 292.295 0.960 50 40 CCGB O=C(CCl)N([C@H]1CCS(=O)(=O)C1)[C@H]1N=CN=N1 217381275 FOAYRUXZAJDRNX-XPUUQOCRSA-N 278.721 0.019 50 40 CCGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cccnc3)nc2n1 131929 YGWIEIVXJNIPTG-LZYBPNLTSA-N 295.306 0.900 50 40 CCGB CN(C)c1nc(N(C)C)nc(N(C#N)CCCl)n1 347848 JEEADXKLIDPBCQ-UHFFFAOYSA-N 269.740 0.530 50 40 CCGB Cc1ccc(Cn2ccc(NC(=O)C(=O)NN)n2)cc1 2787887 YPVKPNQTAIBGFO-UHFFFAOYSA-N 273.296 0.168 50 40 CCGB CCOc1ccc(NC(=O)CCC(=O)NNC(C)=O)cc1 5873327 FLLPINNLWRNYIN-UHFFFAOYSA-N 293.323 0.971 50 40 CCGB COC(=O)NNC(=O)c1cccc(NC(=O)OC)c1 255188760 LLFBHFAOOUSAEQ-UHFFFAOYSA-N 267.241 0.866 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1O 2025222 ZIJZHDXQKZPNND-VCHYOVAHSA-N 298.302 0.554 50 40 CCGB Cc1nnn(-c2nonc2N)c1C(=O)NN=C1CCCC1 25758536 GWZBDIHOEOMPMH-UHFFFAOYSA-N 290.287 0.201 50 40 CCGB O=C(O)CC/C(=N\NC(=O)c1ccccc1F)C(=O)O 38387145 CNLAHGPQLUAQIB-NTEUORMPSA-N 282.227 0.861 50 40 CCGB COc1ccc(CCCC(=O)N[C@@H](C)C(=O)NN)cc1 5880815 WXXRULAWKKNESU-JTQLQIEISA-N 279.340 0.513 50 40 CCGB CCOC(=O)[C@@](O)(NC(=O)CCl)C(F)(F)F 2564976 AVGCCEGFMMWZSO-LURJTMIESA-N 263.599 0.155 50 40 CCGB COc1ccccc1/C=N/NC(=O)Cn1cncn1 547358 OKWDVYKFFMQTAS-MKMNVTDBSA-N 259.269 0.437 50 40 CCGB Cc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1 2070847 QFKPKNZPGGDVPS-UHFFFAOYSA-N 250.254 0.621 50 40 CCGB COc1cccc(/C=N\NC(=O)C[N+](C)(C)C)c1OC 31937765 MFJJOVARKGGZRM-DHDCSXOGSA-O 280.348 0.860 50 40 CCGB Cc1ccc(C(=O)/C=C(\O)C(=O)NNC(N)=S)cc1 100795155 JYUODTXORYAOJE-POHAHGRESA-N 279.321 0.484 50 40 CCGB CC(=N\O)/C(C)=N/NC(=O)CNC(=O)c1ccccc1 19143828 SHFVIXCFXKNHHE-SVGWRPMHSA-N 276.296 0.759 50 40 CCGB O=c1ccc(=O)n(CN(CCCl)CCCl)[nH]1 1598267 ZKNUBXXCWDUQIV-UHFFFAOYSA-N 266.128 0.274 50 40 CCGB Cc1cc(C)[n+](C[C@@H](O)CCl)n1C[C@@H](O)CCl 4950569 NXZZCMWDCHHBOQ-QWRGUYRKSA-N 282.191 0.592 50 40 CCGB CC1(CC(=O)N/N=C/c2ccc(O)cc2)OCCO1 4481599 RFGUMCZQBQRRFN-NTEUORMPSA-N 264.281 0.995 50 40 CCGB NNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 225501572 XIQPMKHWYNGIMJ-UHFFFAOYSA-N 297.380 0.855 50 40 CCGB COC(=O)/C(C#N)=C(/NCCN)Nc1ccccc1 1644266 HWVAPXOGXZCKGQ-QXMHVHEDSA-N 260.297 0.555 50 40 CCGB COc1cc(B(O)O)c(C=O)cc1OCc1ccccc1 309982767 VZSMEOPFMJZHCI-UHFFFAOYSA-N 286.092 0.767 50 40 CCGB CCOc1cc(/C=N/O)cc(Cl)c1OCC(=O)NN 2798764 QSOBMAJGOQGXOM-LHHJGKSTSA-N 287.703 0.916 50 40 CCGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1cc(Cl)cn1 252480619 CBJZYJKDXRUFOB-LNKIKWGQSA-N 298.709 0.868 50 40 CCGB O=C(NCc1ccccn1)C(=O)N/N=C/c1cccc(O)c1 59434309 PBHIOGNVNFCHBS-GIJQJNRQSA-N 298.302 0.554 50 40 CCGB CN(C)S(=O)(=O)NNC(=O)c1ccc(Cl)cc1 45929439 ZGSVIIMNICQMNZ-UHFFFAOYSA-N 277.733 0.381 50 40 CCGB NNC(=O)c1ccc2ncc(Br)n2c1 40448250 GRZNOUXIQOBJKW-UHFFFAOYSA-N 255.075 0.700 50 40 CCGB COc1cc([C@H]2ON=C(C(=O)NN)[C@@H]2C)cc2c1OCO2 12417223 QXPUZEAHWYTNNA-KGFZYKRKSA-N 293.279 0.477 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C\c1ccccc1O 17125756 QQMGZCWFYLPRME-PXNMLYILSA-N 287.275 0.752 50 40 CCGB Cc1cc(C)cc(OCC(=O)NNC(N)=S)c1 9286933 RXZHALJCTYIGBV-UHFFFAOYSA-N 253.327 0.547 50 40 CCGB N#CSCCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 104157237 VMWQQPARVGVVGY-BGZDPUMWSA-N 252.295 0.363 50 40 CCGB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)NN)cc1 370213 YFNMSBOQXOPPMR-UHFFFAOYSA-N 275.268 0.752 50 40 CCGB N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)NC(N)=O 409229588 RNWFACYKSZGZSV-CLFYSBASSA-N 290.279 0.218 50 40 CCGB Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1cnccn1 44897015 ZBKIVVNMDOPSIB-UHFFFAOYSA-N 288.311 0.210 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1cccc(C#N)c1 6316495 VQDZLUCVNJXZLU-UHFFFAOYSA-N 269.282 0.498 50 40 CCGB CC(C)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 14201086 HUQWGKRGAJGDDK-UHFFFAOYSA-N 288.307 0.351 50 40 CCGB CC(C)CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 6928768 ZYMDRCGJQXMOFG-UHFFFAOYSA-N 288.307 0.730 50 40 CCGB CCOC(=O)NNCC(=O)OCc1ccccc1 1562686 RACIPZWUKINNSA-UHFFFAOYSA-N 252.270 0.981 50 40 CCGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccco2)cc1 559085 JIUHQYBHWLVJIH-LZYBPNLTSA-N 287.275 0.908 50 40 CCGB Cc1cc(C)nc(NC(=N)NNC(=O)c2ccncc2)n1 6796791 ZVNVHRQKJMKCBF-UHFFFAOYSA-N 285.311 0.770 50 40 CCGB O=C(N/N=C\c1ccccn1)C(=O)N/N=C/c1ccccn1 4582714 DJWCJHWJZFLFAC-BUOZRGFLSA-N 296.290 0.077 50 40 CCGB N/C(=N\NC(=O)c1ccc(N)cc1)c1ccncc1 32616689 UNXWLBUNAOBJFR-UHFFFAOYSA-N 255.281 0.714 50 40 CCGB O=C(NNC(=O)c1cccc[n+]1[O-])c1ccccc1O 47297022 IWUQBZKZRARDDY-UHFFFAOYSA-N 273.248 0.100 50 40 CCGB CC[C@H](C)Nc1nc(NC)nc(SCC(=O)NN)n1 1419234 FWOAAHHGLVNEGI-LURJTMIESA-N 285.377 0.206 50 40 CCGB CCCOC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167616 ODJCKAHRQHKTKN-BQBZGAKWSA-N 271.791 0.692 50 40 CCGB COC(=O)/C(C#N)=C(\NCCN)Nc1ccccc1 16958698 HWVAPXOGXZCKGQ-VAWYXSNFSA-N 260.297 0.555 50 40 CCGB N#CC1=C(N)NC(=O)[C@H](C(N)=O)[C@@H]1c1ccccc1Cl 1578350 GJVSWTDPBQXGAN-ZJUUUORDSA-N 290.710 0.349 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 3471900 HZFIJDPJZFCSAC-PJQLUOCWSA-N 259.187 0.641 50 40 CCGB COCCNC(=S)NNC(=O)c1ccccc1O 6333814 MQMYMSFKXOZLCF-UHFFFAOYSA-N 269.326 0.148 50 40 CCGB COc1ccc([C@](O)(C(=O)NN)c2ccccc2)cc1 8732373 VOZRKVVNYCYRRQ-HNNXBMFYSA-N 272.304 0.921 50 40 CCGB O=C(Cl)O[C@H]1CS(=O)(=O)C[C@@H]1OC(=O)Cl 100846922 KONMOGIZAMPYTO-IMJSIDKUSA-N 277.081 0.903 50 40 CCGB CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)NN 226818261 MFUPOZVNIKBBKY-JTQLQIEISA-N 255.343 0.421 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccccc1OC 3062068 MTVKFXYHVOPIRQ-MHWRWJLKSA-N 275.308 0.838 50 40 CCGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCC#N 33957686 KULILDJUGBEKCO-CXUHLZMHSA-N 272.264 0.961 50 40 CCGB OB(O)c1ccc2c(cnn2Cc2ccccc2)c1 198209305 DYDTVOPUUATJCU-UHFFFAOYSA-N 252.082 0.764 50 40 CCGB C[C@@H](Oc1ccc(/C=N\NC(N)=O)cc1)C(=O)O 30803300 IWRIXBABKPESRI-NCEFMCJXSA-N 251.242 0.541 50 40 CCGB C/C(N)=C(\C#N)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 105809272 CYVNXWMOPBZNLL-TWGQIWQCSA-N 263.257 0.734 50 40 CCGB COC(=O)/C(C(=O)CCl)=C(\N)NC(=O)c1ccccc1 104552214 LBKIRMJBUIVZMV-ZHACJKMWSA-N 296.710 0.568 50 40 CCGB Cc1nc(C(Cl)(Cl)Cl)[nH]c(=O)c1CC(=O)NN 225011983 SUWBHSZMLQQWKE-UHFFFAOYSA-N 299.545 0.437 50 40 CCGB COc1c(OCc2ccccc2)cccc1B(O)O 199260228 LRGJCYZIQBZISE-UHFFFAOYSA-N 258.082 0.954 50 40 CCGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1cccc(O)c1 1477012 CJFJSQLTAHEDNC-NTUHNPAUSA-N 260.253 0.514 50 40 CCGB CC1(C)C(C#N)=C(SCC(=O)O)NC(=O)[C@H]1C#N 4602735 WYYGIWOHYHSVBU-ZCFIWIBFSA-N 265.294 0.835 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444286 JHGOEKAODARQOZ-OVCLIPMQSA-N 291.307 0.750 50 40 CCGB C[C@H]1C[C@H]1C(=O)NNC(=O)Cc1nc2ccccc2n1C 42237036 IZMVWAYGKYECQT-VHSXEESVSA-N 286.335 0.919 50 40 CCGB CCN1C(C#N)=C(C#N)N[C@H]2C(C(C)=O)=C(C)O[C@H]21 19875149 XTQMEILLOYOLLS-QWHCGFSZSA-N 258.281 0.758 50 40 CCGB COc1ccc(C(=O)N[C@H](C(=O)NN)C(C)C)cc1 32579330 DCHYMIKNEYUDJK-NSHDSACASA-N 265.313 0.440 50 40 CCGB BrCCc1cn(CCN2CCOCC2)nn1 52227233 DIXAUFKOCKIKIH-UHFFFAOYSA-N 289.177 0.548 50 40 CCGB O=C(O)[C@@H]1[C@H]2C[C@@H]3[C@@H](OC(=O)[C@@H]13)[C@H]2Br 4409857 YAUZWMLHLWHCLG-LXTYMGNCSA-N 261.071 0.642 50 40 CCGB in-vitro CCNC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 409148449 PUGMXWYKESLEHR-OVCLIPMQSA-N 279.296 0.290 50 40 CCGB CCOC(=O)[C@@H]1C=C(C#N)O[C@@H]2[C@H]1C(=O)N(C)C(=O)N2C 245239134 FQMMAYXEHSLUPZ-FXPVBKGRSA-N 293.279 0.069 50 40 CCGB NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1 15144969 WWBRJYDPWXNGMD-QGMBQPNBSA-N 298.302 0.710 50 40 CCGB CC(=O)NNC(=O)CNC(=O)c1cc(C)cc(C)c1 36627316 ADSYHZZRNJCFCQ-UHFFFAOYSA-N 263.297 0.201 50 40 CCGB Cn1cnnc1SCC(=O)N/N=C/c1ccccn1 530576 RCZOITRGANEQMG-AWNIVKPZSA-N 276.325 0.453 50 40 CCGB N#CC1=C(N)NC(S)=C(C(N)=O)[C@H]1c1ccccc1F 1058435 OQFRSIITHRDLIF-VIFPVBQESA-N 290.323 0.833 50 40 CCGB COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)c1O 48919296 OBQFJOYURARKQO-VXNVDRBHSA-N 264.281 0.818 50 40 CCGB CNC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 409000035 WRONWHLUDMPVRV-OMCISZLKSA-N 273.214 0.902 50 40 CCGB O=C(COc1ccccc1)NNC(=S)NC(=O)C1CC1 6885406 PNYYIQUUCPRDAY-UHFFFAOYSA-N 293.348 0.497 50 40 CCGB C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)NN 5919326 HSNMCLCCEPADMT-LURJTMIESA-N 265.298 0.602 50 40 CCGB CC(C)(C[C@@H](O)C#N)[N+]([O-])=[N+]([O-])C(C)(C)C[C@@H](O)C#N 104317521 ZXDZGTSSYWKDLT-NXEZZACHSA-N 284.316 0.566 50 40 CCGB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCl 8725393 NQZTYQOZGOGIOD-UHFFFAOYSA-N 295.730 0.532 50 40 CCGB CCS(=O)(=O)[C@@H](I)[C@@H](C)O 96519293 UHNKJHQGQBWKQN-RFZPGFLSSA-N 278.111 0.563 50 40 CCGB CC(=O)OCC1=C[C@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 101043782 HEPGNZNJPRYADJ-LSUSWQKBSA-N 274.272 0.854 50 40 CCGB O=C1O[C@H](O)[C@@H](Br)[C@@H]1Br 100762036 WVWMLQBHJMNOOB-ZPAAKOCQSA-N 259.881 0.389 50 40 CCGB NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 3263741 HCPZYZRNNCUOOT-UHFFFAOYSA-N 294.318 0.992 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1cccc(Cl)c1 6999243 OTXVADIXCOLMSI-VGOFMYFVSA-N 253.689 0.926 50 40 CCGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NC1CC1 15952109 SCPRNISWTCVUBC-YRNVUSSQSA-N 285.303 0.736 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc2c(c1)OCO2 5381005 LZRRTHSPTRPUCS-VIZOYTHASA-N 291.307 0.780 50 40 CCGB O=C(N[C@@H]1CCS(=O)(=O)C1)OC[C@@H](Cl)CCl 59568570 MSJOMUJVNVDTPQ-NKWVEPMBSA-N 290.168 0.746 50 40 CCGB Cc1cc(C(=O)NNC(=O)/C=C/C(=O)O)ccc1[N+](=O)[O-] 2776544 SUUHTNGHCPTACX-SNAWJCMRSA-N 293.235 0.305 50 40 CCGB CC(C)/C=C(\C#N)C(=O)N1C[C@H](CC(=O)N(C)C)[C@@H](O)C1 585289822 OEKLFOFHMLZDTP-BYDLAGSTSA-N 293.367 0.390 50 40 CCGB OB(O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 169810369 VHHZSZSIBHKBEO-UHFFFAOYSA-N 258.914 0.799 50 40 CCGB CNC(=S)NNC(=O)[C@H](C)Oc1ccccc1 6520873 ROBMECRGTTUPQY-QMMMGPOBSA-N 253.327 0.579 50 40 CCGB CCCCCC[C@@H](O)C[C@H](CCC(=O)NN)C(=O)NN 4610516 AJKFOMLDPVIJHN-WDEREUQCSA-N 288.392 0.084 50 40 CCGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NN)c(C)c1 16267473 HXBFAJZDYMUVOE-UHFFFAOYSA-N 285.369 0.222 50 40 CCGB N#CC1=C(N)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 100642611 RCOVMDZKKXMDSE-LBPRGKRZSA-N 252.277 0.945 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3471840 JPAWEXIEYQGGSD-YIXHJXPBSA-N 260.080 0.929 50 40 CCGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(O)cc1 58884562 SNEWFLBCHHGHDR-GIJQJNRQSA-N 298.302 0.554 50 40 CCGB NNC(=O)c1ccc([N+](=O)[O-])cc1Br 45954306 WPEBNDFQJPLVLE-UHFFFAOYSA-N 260.047 0.961 50 40 CCGB NC(=O)N/N=C1\C(=O)N(CCCl)c2ccccc21 298198 YSMWETYJNNSROV-ZROIWOOFSA-N 266.688 0.644 50 40 CCGB CC1=C[C@]2(C)[C@H]3C(=O)OC(=O)[C@@H]3[C@@H]1[C@H]1C(=O)OC(=O)[C@H]12 239426007 VPEBWHJXHKKKRE-GXQZODAZSA-N 276.244 0.214 50 40 CCGB Cc1nn(C)cc1/C=N/NC(=O)Cn1nccc1C 373899 BURHDQUJCIGZQM-AWNIVKPZSA-N 260.301 0.384 50 40 CCGB CC(C)(O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 32578418 WEGNFIYBXJHGOO-NTUHNPAUSA-N 250.254 0.606 50 40 CCGB Cc1nn(C)c(F)c1/C=N/NC(=O)CC1CCNCC1 252486491 HMANKQUPAQQKHS-LZYBPNLTSA-N 281.335 0.707 50 40 CCGB COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)c1O 48919297 OBQFJOYURARKQO-IONNQARKSA-N 264.281 0.818 50 40 CCGB CCOc1cccc(/C=C/C(=O)NNC(N)=S)c1 62715401 FDZBBIXTPJSBNW-VOTSOKGWSA-N 265.338 0.963 50 40 CCGB C[C@@H](O)[C@@H](I)S(C)(=O)=O 96519215 GWTXRLRGUSNYSE-DMTCNVIQSA-N 264.084 0.173 50 40 CCGB O=C(CNC(=O)c1cccnc1)N/N=C/c1cccnc1 4828677 BNTVXNMAQWVYSP-QGMBQPNBSA-N 283.291 0.357 50 40 CCGB CC[C@@H]1C/C(=N/NC(N)=O)[C@H](NNC(N)=O)[C@@H](C)C1 25627012 JEZGJNFSDKQEDR-CKVMKUFPSA-N 270.337 0.008 50 40 CCGB COC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2 7405557 RHYQXDIIJYBYGJ-UHFFFAOYSA-N 270.310 0.725 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(O)cc1 7812995 BPCDEAYMCUXAHB-PFMRQGHBSA-N 263.297 0.757 50 40 CCGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1CC(C)C 3526926 VNOINMIJILEJSD-GIDUJCDVSA-N 264.329 0.696 50 40 CCGB COC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F 96013255 NRODZRPPUMHYIK-UHFFFAOYSA-N 291.185 0.430 50 40 CCGB NNC(=O)CSc1cc(N)nc(Cc2ccccc2)n1 223463679 OSMJUGNARQMHDZ-UHFFFAOYSA-N 289.364 0.732 50 40 CCGB COC(=O)COc1cccc(/C=N/NC(=O)CC#N)c1 59472867 FPWFIDNLKYEMFU-OVCLIPMQSA-N 275.264 0.602 50 40 CCGB CC1=C(C#N)C(=O)NC(=O)/C1=N/Nc1ccc(C(=O)O)cc1 101160362 JMBWBBZQEQDHFZ-WOJGMQOQSA-N 298.258 0.649 50 40 CCGB O=C(Cc1ccccc1)NNC(=S)NC[C@@H]1CCCO1 16274322 CLSNESQLFVBSHQ-LBPRGKRZSA-N 293.392 0.903 50 40 CCGB C[C@@H](O)[C@H](I)S(C)(=O)=O 96519213 GWTXRLRGUSNYSE-QWWZWVQMSA-N 264.084 0.173 50 40 CCGB CCO[C@@H]1OC(C(N)=O)=CC[C@H]1Br 16918421 ZHBWFGRERMQGJI-SVGQVSJJSA-N 250.092 0.902 50 40 CCGB COC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1 5660587 WCLYMPYOUIKIRR-UHFFFAOYSA-N 299.286 0.943 50 40 CCGB CSc1ncnc2c1ncn2CCNC(=O)N(C)N=O 4887700 COXMGDIDQKFZAG-UHFFFAOYSA-N 295.328 0.871 50 40 CCGB O=C(Cn1cncn1)N/N=C/c1c[nH]c2ccccc12 548012 YSEMTDKWVKYIQA-OMCISZLKSA-N 268.280 0.910 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444279 AKRQITGWXSENKC-VGOFMYFVSA-N 277.280 0.360 50 40 CCGB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C1CC1 26968068 KRYXOJYSNZPZJM-NSHDSACASA-N 293.323 0.591 50 40 CCGB O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1[N+](=O)[O-] 44845273 LQJZXPWDOIJHGA-IMTBSYHQSA-N 266.213 0.703 50 40 CCGB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNC(N)=O 408537128 ZGHDQBMMAIZCPQ-XFFZJAGNSA-N 273.296 0.774 50 40 CCGB NNC(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 4192760 FWWUDDRHBOWIOD-UHFFFAOYSA-N 283.287 0.816 50 40 CCGB CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O 8091870 VISIDZGJRWRHMV-WLRTZDKTSA-N 255.661 0.242 50 40 CCGB Cc1ccc(-n2nnnc2SCC(=O)NN)cc1C 4540140 KFCNJSYUUSVART-UHFFFAOYSA-N 278.341 0.361 50 40 CCGB CCc1cccc(NC(=O)C(=O)NNC(=O)OC)c1 96013254 SIRXWJJUZVBUKB-UHFFFAOYSA-N 265.269 0.575 50 40 CCGB COCCNC(=S)NNC(=O)C1CCCCC1 7062185 NUKDTFLZXNMCCA-UHFFFAOYSA-N 259.375 0.708 50 40 CCGB O=C(CCCl)N1CCN(C(=O)CCCl)CC1 1672542 RGCRLJZDKBSICG-UHFFFAOYSA-N 267.156 0.915 50 40 CCGB CCCCOC(=O)CNC(=O)NNC(=O)c1ccncc1 2532775 LZTLURQLVJAIJF-UHFFFAOYSA-N 294.311 0.369 50 40 CCGB C=CCNC(=S)NNC(=O)c1ccccc1O 4951182 RKUJPWNBHAMFMG-UHFFFAOYSA-N 251.311 0.687 50 40 CCGB CC(=O)OCC1=C[C@@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 101043779 HEPGNZNJPRYADJ-DVWMECQTSA-N 274.272 0.854 50 40 CCGB O=C(CCCO)N/N=C\c1ccc([N+](=O)[O-])s1 5069224 NZBIHLGXPIXZMB-POHAHGRESA-N 257.271 0.879 50 40 CCGB N#CC1(C#N)CC(C=O)=C(N)[C@@]1(C#N)[C@H]1CCCC1=O 4816315 HRXSQHMZLMOHHZ-IINYFYTJSA-N 268.276 0.715 50 40 CCGB COC(=O)[C@H]1CCCN1CC(=O)NCCCCl 575424249 XSSDYGQPUHJHSZ-SECBINFHSA-N 262.737 0.369 50 40 CCGB CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 19927064 ZHBVGHXLWPWNPT-VIFPVBQESA-N 271.317 0.553 50 40 CCGB COC1=C(OC)[C@@H]([C@H](O)CBr)OC1=O 3843050 SANNCPWAMQKBSD-RFZPGFLSSA-N 267.075 0.172 50 40 CCGB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@H](O)CCl)C1 2077760 IZUQCDFAYZCLQS-SDDRHHMPSA-N 282.771 0.867 50 40 CCGB biogenic CCOC(=O)c1ccc(NC(=S)NNC=O)cc1 5948346 UZMSTHUEHKFSDK-UHFFFAOYSA-N 267.310 0.811 50 40 CCGB COC(=O)NN=Cc1cn(O)c2ccccc2[n+]1=O 604939606 SJMWOKRKQLJMDH-UHFFFAOYSA-O 263.233 0.483 50 40 CCGB NS(=O)(=O)c1ccc(NNC(=O)C(F)(F)F)cc1 136534226 HEVXOHDSWLMZOK-UHFFFAOYSA-N 283.231 0.339 50 40 CCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 104727288 XORTWQYTOXVYLZ-SREVYHEPSA-N 279.208 0.670 50 40 CCGB O=C(CCl)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 4205819 WCWHQZCCLNJYHW-UWVGGRQHSA-N 295.788 0.420 50 40 CCGB CNC(=S)NNC(=O)CC(=O)Nc1ccc(C)cc1 4681288 BLNPJMZRRFNWAB-UHFFFAOYSA-N 280.353 0.449 50 40 CCGB CCc1cccc2c1NC(=O)/C2=N\NC(=O)COC 223733694 PRGYXBACXCVYLU-UHFFFAOYSA-N 261.281 0.668 50 40 CCGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)C(=O)N1CCCC1 100059254 CLRKYNGHKYJWES-MHWRWJLKSA-N 296.371 0.406 50 40 CCGB COc1ccc(/C=N/NC(=O)Cn2cncn2)cc1 547458 SMMLZAKEOSPYJG-MKMNVTDBSA-N 259.269 0.437 50 40 CCGB CC(C)NC(=O)N1CCC(C(=O)NNC(=O)C2CC2)CC1 47054530 KQIOHADZUSXNBB-UHFFFAOYSA-N 296.371 0.374 50 40 CCGB CCCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 3886723 VLMQHOJWRWMEDK-QMMMGPOBSA-N 253.751 0.651 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccccc1OO 408731606 MFHWQHWNJSSZRR-NTEUORMPSA-N 279.296 0.321 50 40 CCGB O=C(O)CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 2058344 JDZIORQQWHFDKH-UHFFFAOYSA-N 281.224 0.221 50 40 CCGB O=C(Cn1cncn1)N/N=C/c1ccc([N+](=O)[O-])s1 4880552 HBSKOYJZURMFEE-QDEBKDIKSA-N 280.269 0.398 50 40 CCGB C[C@H]1Cc2cc(C(=O)NN)ccc2N1S(C)(=O)=O 10323917 IHCHRUDORARGHT-ZETCQYMHSA-N 269.326 0.001 50 40 CCGB CC(=O)OC1=C[C@@]2(OC(C)=O)CC[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104130671 POHOCVYIJHCYKB-AGSIJNCFSA-N 294.259 0.475 50 40 CCGB COc1cc2c(=O)ccn(CC(=O)NN)c2cc1OC 64873621 XHCNFEHMFOYICP-UHFFFAOYSA-N 277.280 0.009 50 40 CCGB Nc1nnn(CC(=O)N/N=C/c2cccc3ccccc23)n1 547564 IMXMCGADDRASII-LZYBPNLTSA-N 295.306 0.559 50 40 CCGB CCC(=O)NC(=S)NNC(=O)c1ccncc1 6395995 IQIHVZFKMZSPGN-UHFFFAOYSA-N 252.299 0.127 50 40 CCGB CCOc1cc(/C=N/NC(N)=O)ccc1OCC#N 2753976 TYBICBXGEMTVIM-OVCLIPMQSA-N 262.269 0.990 50 40 CCGB COC(OC)C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C(=O)OC(=O)[C@H]34)[C@H]12 104129259 LBBCBYYRBDDOBN-KZZCMQFTSA-N 264.277 0.599 50 40 CCGB CC[C@H](C)NC(=S)NNC(=O)CCn1ccc(C)n1 6555297 IQMUKKXTGPHYBW-VIFPVBQESA-N 283.401 0.875 50 40 CCGB COc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc1 7138388 LHTJIVFILQGCBM-UHFFFAOYSA-N 287.275 0.458 50 40 CCGB OCC12COC(CI)(C1)C2 1848351632 MTAPXLRGEUCTTQ-UHFFFAOYSA-N 254.067 0.963 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1Cl 5511617 GNFAWYVKDCRYEI-CXUHLZMHSA-N 297.742 0.943 50 40 CCGB CCCc1cc2c(=O)n([C@@H](C)C(=O)NN)cnc2s1 2537784 BAKJUCZMIAYKOQ-ZETCQYMHSA-N 280.353 0.961 50 40 CCGB O=C(NNC(=O)c1ccccc1)NNC(=O)c1cccnc1 103060597 MUNWPGTVPBNYTP-UHFFFAOYSA-N 299.290 0.371 50 40 CCGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CC#N 20248739 LXILEDLZQMCCLP-NTUHNPAUSA-N 262.225 0.967 50 40 CCGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCC(N)=O 6960629 IBUOEIXVJPERBT-BJMVGYQFSA-N 289.291 0.342 50 40 CCGB Cc1cccc(C(=O)NNC(=O)Cn2nc(C)cc2C)n1 97139497 XXXDFIARXUYINZ-UHFFFAOYSA-N 287.323 0.665 50 40 CCGB OB(O)c1c(Br)ccnc1Br 199688950 KAFRSQBNOFJZGO-UHFFFAOYSA-N 280.712 0.286 50 40 CCGB Cc1nccn1CC(=O)N/N=C/c1ccc(O)c(O)c1 554000 KSFRXBHDIOJSLR-VIZOYTHASA-N 274.280 0.753 50 40 CCGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccccc1 101170078 KCLINUKDTIQROI-QGOAFFKASA-N 298.302 0.656 50 40 CCGB O=C(CN1CCCC1)N/N=C/c1ccc(O)c(O)c1 3011490 XXJMSPUFYPWBRC-RIYZIHGNSA-N 263.297 0.644 50 40 CCGB CNC(=S)NNC(=O)c1ccc(N(C)C)cc1 13656663 KCDUKCFQQLILFD-UHFFFAOYSA-N 252.343 0.491 50 40 CCGB O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1cccs1 9485482 YPXMOTDEXOQXCM-RQJHMYQMSA-N 279.770 0.882 50 40 CCGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CN1CCOCC1 408719397 DKBHHYHGUPCYJU-NUFCYMDASA-N 297.355 0.154 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccc2c(c1)OCO2 3062090 QHYCGLCEIZCUSC-LZYBPNLTSA-N 289.291 0.558 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 5357915 ZOASLZVAYFECAQ-CXUHLZMHSA-N 291.307 0.456 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1O 7812941 ICWPGPLDLNTSOV-FNQVVVRFSA-N 291.307 0.138 50 40 CCGB COc1ccc(C(=O)NNC(N)=S)c(OC)c1 15423269 DEKLUPJCLNUUON-UHFFFAOYSA-N 255.299 0.182 50 40 CCGB N#CC1=C(N)NC(=S)[C@@H](C(N)=O)[C@H]1c1ccccc1 48845 OYQDXAAMRAEMKX-VHSXEESVSA-N 272.333 0.496 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1ccccc1OC 3061980 KITKUVWPLXJFHW-MHWRWJLKSA-N 293.323 0.298 50 40 CCGB COc1ccc(/C(C)=N\NC(N)=O)cc1[N+](=O)[O-] 221777 LTKOIMQNWMJYDS-SDQBBNPISA-N 252.230 0.996 50 40 CCGB Cn1nc(OCC(=O)NN=Cc2ccccc2)ccc1=O 26504346 UFDDYTYFRQCSDW-UHFFFAOYSA-N 286.291 0.309 50 40 CCGB NNC(=O)c1ncn(C[C@H](O)c2ccc(Cl)cc2)n1 98210957 LPHDLPIUIBVZBW-VIFPVBQESA-N 281.703 0.269 50 40 CCGB NC(=S)NNC(=O)[C@H]1CC(=O)OC12CCCCC2 4412100 LREKKJUEADKUPV-SSDOTTSWSA-N 271.342 0.117 50 40 CCGB CC(C)OC(=O)C1=C2SCC(=O)N2C(N)=C(C#N)C1 522980 MUFNMFPFXBNQNF-UHFFFAOYSA-N 279.321 0.823 50 40 CCGB C[C@H](O)CN(/N=C/c1ccc([N+](=O)[O-])o1)C(N)=O 1693548 GBNRGPOXYKKLGO-CZALDQMUSA-N 256.218 0.283 50 40 CCGB Cc1nn([C@@H](C)C(=O)NN)c(C)c1Br 2731946 AWSMUWCXUUXIQQ-LURJTMIESA-N 261.123 0.813 50 40 CCGB COC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(OC)c1 2750162 GSQCBZURBPQMIH-BJMVGYQFSA-N 290.275 0.639 50 40 CCGB C[C@@H](Cl)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 8155946 ZSQIFFBKILEOFB-MRVPVSSYSA-N 290.772 0.620 50 40 CCGB NNC(=O)[C@@H](CO)NC(=O)c1ccc(Cl)c(Cl)c1 4723720 GMOBRYVDVAPDHH-MRVPVSSYSA-N 292.122 0.074 50 40 CCGB COCCNC(=S)NNC(=O)Cc1cccc(OC)c1 42083795 IDROTTJLGXUIKP-UHFFFAOYSA-N 297.380 0.379 50 40 CCGB COc1nc[nH]c1C(=O)N/N=C/c1ccc(O)cc1O 5799985 WZXJZNSCSXXCQH-PJQLUOCWSA-N 276.252 0.593 50 40 CCGB O=C(NNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 260113 ZIYSQRUZACYFGD-UHFFFAOYSA-N 287.235 0.460 50 40 CCGB COC(OC)C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31 104129263 LBBCBYYRBDDOBN-JSENAVNUSA-N 264.277 0.599 50 40 CCGB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ncccn1 44717362 HIQITZIOVWXWLD-MRVPVSSYSA-N 281.316 0.833 50 40 CCGB O=C(CCl)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 4205818 WCWHQZCCLNJYHW-VHSXEESVSA-N 295.788 0.420 50 40 CCGB CC(=O)Nc1ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc1 35020313 UVRWLSCJIGQZAS-SREVYHEPSA-N 291.263 0.047 50 40 CCGB Cc1nonc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 35989485 RAPXDKJBQKCBFM-LFYBBSHMSA-N 291.223 0.756 50 40 CCGB FC(F)(F)[C@H]1C=c2[nH]cnc2=C[C@H]1Br 169798785 OYZARWWKTKQJFF-CRCLSJGQSA-N 267.048 0.926 50 40 CCGB Cc1c(C(=O)NN)nn(-c2ccc(F)cc2)c(=O)c1C#N 1075791 QGQXEFDQCKZHAT-UHFFFAOYSA-N 287.254 0.155 50 40 CCGB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NN 32579479 HMUFKDKHPOKICZ-JTQLQIEISA-N 253.277 0.570 50 40 CCGB C[C@H]1[C@H](C(=O)O)C[C@H]([N+](=O)[O-])[C@H](Cl)[C@@H]1[N+](=O)[O-] 5328337 RRMFVDXVGDTVKZ-MLKOFDEISA-N 266.637 0.625 50 40 CCGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@H]1c1ccncc1 5800828 NRULDVGTJVUHRU-JTQLQIEISA-N 255.233 0.700 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccc(Br)cc1 3471801 HMRIEXYYYOWTNZ-LFYBBSHMSA-N 270.086 0.385 50 40 CCGB C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NN)c2N1 2732130 UMVGQLFJWZONGT-NJGYIYPDSA-N 263.223 0.794 50 40 CCGB NNC(=O)c1nc2ccccn2c1Br 95215836 GOIRIHJYTIYSIJ-UHFFFAOYSA-N 255.075 0.700 50 40 CCGB COc1cc(/C=N/NC(N)=O)ccc1O[C@@H](C)C(=O)O 409014909 QRYVRJGYKBIAKK-GYXDYACRSA-N 281.268 0.549 50 40 CCGB NC(=O)c1nc(-c2ccccc2F)oc1NNC(=O)CF 35681825 MBCAHCVNZHDDAK-UHFFFAOYSA-N 296.233 0.992 50 40 CCGB COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 7784952 YVPZUOFQLSUFSA-CXUHLZMHSA-N 277.324 0.918 50 40 CCGB CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 45885664 NZIMMQOIDKANFK-SECBINFHSA-N 271.317 0.268 50 40 CCGB COc1ccccc1/C=C/C=N/NC(=O)[C@H]1C=NNC1=O 100948947 LEDBPERMRNDJTO-GDAHBVNESA-N 286.291 0.542 50 40 CCGB O=C(CCl)N(CCCCCO)[C@H]1CCS(=O)(=O)C1 40177605 UGLHHUOMGVQDQE-JTQLQIEISA-N 297.804 0.404 50 40 CCGB CS(=O)(=O)N1CCC2(CC1)C[C@H](Br)CO2 11114053 FOIROTRAGLIAIR-QMMMGPOBSA-N 298.202 0.964 50 40 CCGB O=C(CCl)OCCOCCOC(=O)CCl 59143135 HMTPTJJAOZAOSQ-UHFFFAOYSA-N 259.085 0.567 50 40 CCGB O=C(CCl)N(C1CC1)[C@H]1CCS(=O)(=O)C1 4206919 KGDLPWHPLVKFJG-QMMMGPOBSA-N 251.735 0.403 50 40 CCGB CC(C)(C)[Si](C)(C)OCCn1cc(B(O)O)cn1 200604308 JXDFTVVBNZHTQK-UHFFFAOYSA-N 270.214 0.585 50 40 CCGB COc1ccc(C(=O)NNC(=O)C(=O)NCC(C)C)cc1 4838915 CVARDSBNECKSTA-UHFFFAOYSA-N 293.323 0.228 50 40 CCGB CCNC(=O)NNC(=O)[C@@H]1CC(c2cccs2)=NO1 5598020 PLRQBXSBLMEEKL-QMMMGPOBSA-N 282.325 0.591 50 40 CCGB NC(=O)c1cc(NC(=O)CCl)cc(C(N)=O)c1 3445764 VEGJAFCCWXXZBY-UHFFFAOYSA-N 255.661 0.062 50 40 CCGB O=C1NN=C[C@H]1C(=O)N/N=C/c1cccc(Cl)c1 100948864 GSVWNHLNPNNDNT-DHIBQTOVSA-N 264.672 0.522 50 40 CCGB CCNC(=S)NNC(=O)Cc1csc(C)n1 7640231 ZGTQSBNYFQJXKA-UHFFFAOYSA-N 258.372 0.509 50 40 CCGB COCCNC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1 8104789 RMBDEXHYBFKATM-VIZOYTHASA-N 299.714 0.258 50 40 CCGB CS(=O)(=O)N1CCC2(CC1)C[C@@H](Br)CO2 11114081 FOIROTRAGLIAIR-MRVPVSSYSA-N 298.202 0.964 50 40 CCGB NC(=O)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 6320769 WSVQUQOZLLAOTR-QLKAYGNNSA-N 276.079 0.634 50 40 CCGB NNC(=O)CNC(=O)/C=C/c1ccccc1Cl 26840653 HEOLUOMHKLFWSC-AATRIKPKSA-N 253.689 0.459 50 40 CCGB CCOC(=O)[C@@H]1C=C(C#N)O[C@H]2[C@H]1CCN2C(C)=O 245239601 KXQJYPJOYLRICX-TUAOUCFPSA-N 264.281 0.798 50 40 CCGB N#CC1=C(N)Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 17145636 ILMNKHFLKVJZPA-SNVBAGLBSA-N 283.251 0.895 50 40 CCGB CCOc1ccccc1NC(=O)CCC(=O)NN 1618380 XACBZTIEKWRHSC-UHFFFAOYSA-N 251.286 0.794 50 40 CCGB CCCCC[C@H](O)CCC(=O)NNC(=O)CCC(=O)O 4953501 NCNJABXAZVMCBG-JTQLQIEISA-N 288.344 0.720 50 40 CCGB NC(=O)N(CCO)/N=C\C=C/c1ccc([N+](=O)[O-])o1 17313385 FXFISFDEMVDBSS-KEFANOMSSA-N 268.229 0.560 50 40 CCGB N#C/C(C(=O)N1CCOCC1)=C1/C(=O)Nc2ccccc21 4769796 CWNOTMJDMQFMRR-QBFSEMIESA-N 283.287 0.775 50 40 CCGB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NN 2534389 WMYCFCXEWMSLMY-YFKPBYRVSA-N 250.224 0.836 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 7783651 NXCWSRWNEUYXLB-MBBDXHFBSA-N 292.295 0.960 50 40 CCGB CCC/C(=N\NC(=O)Cn1nnc(N)n1)c1ccccc1 5093367 IKBOSNJCWSHBCJ-RVDMUPIBSA-N 287.327 0.576 50 40 CCGB COc1ccc(C[C@@H]2NC(=O)OC2=O)c(OC)c1 1772714933 HDGKWFBYVQRFNI-VIFPVBQESA-N 251.238 0.881 50 40 CCGB COC(=O)C1=C2SCC(=O)N2C(N)=C(C#N)C1 201393 NANBGJYQDDUWMN-UHFFFAOYSA-N 251.267 0.044 50 40 CCGB COC(OC)C1[C@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 104129269 LBBCBYYRBDDOBN-HQBQHRAMSA-N 264.277 0.599 50 40 CCGB COc1cccc(/C=N/NC(=O)CC2=NNC(=O)C2)c1O 101405558 MDYMUVMYCCVNLD-VGOFMYFVSA-N 290.279 0.117 50 40 CCGB Cc1c(C(=O)NN)nn(-c2ccccc2)c(=O)c1C#N 135421 BPZXGKPFCACNIJ-UHFFFAOYSA-N 269.264 0.016 50 40 CCGB C[C@H](CC(=O)O)CC(=O)NNC(=O)c1ccc(O)cc1 2371539 GITYASLTMIVJNR-QMMMGPOBSA-N 280.280 0.654 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(O)cc1 4525733 BBJPRCAJGHPPBX-RIYZIHGNSA-N 263.297 0.757 50 40 CCGB O=C(O)CN1CCC[C@@H]1CI 79390379 VLGCPHBIQZVFCZ-ZCFIWIBFSA-N 269.082 0.970 50 40 CCGB CCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl 13471002 AIEKDOCIKXLLFE-UHFFFAOYSA-N 275.765 0.511 50 40 CCGB COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 100173476 BXVYBBSXCGDGSK-MZNFZHPNSA-N 275.098 0.730 50 40 CCGB CC(=O)OC[C@H]1OC(C#N)=C[C@@H](OC(C)=O)[C@H]1OC(C)=O 4204376 OPOUWJFXZRRHOV-JHJVBQTASA-N 297.263 0.219 50 40 CCGB CCOC(=O)c1c(NNC(=O)c2ccccc2)n[nH]c1N 6265594 ZLKSDZLYEXXXBA-UHFFFAOYSA-N 289.295 0.926 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1cc(F)ccc1F 10219685 ZURLGIHFEAUGBH-UHFFFAOYSA-N 278.280 0.930 50 40 CCGB O=C(N[C@@H]1C=CS(=O)(=O)C1)OC(CCl)CCl 59568370 RLZINZSNNLSQSB-ZCFIWIBFSA-N 288.152 0.870 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2ccc(F)cc2)s1 2124611 HNMPIEZNSVOZKP-MKMNVTDBSA-N 279.300 0.952 50 40 CCGB CC(C)NC(=O)C(=O)NNC(=O)/C=C/c1ccccc1 4480418 XFJNFMZGKZKRAW-CMDGGOBGSA-N 275.308 0.372 50 40 CCGB CC(=O)NCCC(=O)NNC(=O)Cc1ccc(F)cc1 9531938 GYMPOFDHAJZSTG-UHFFFAOYSA-N 281.287 0.042 50 40 CCGB CN1CCN(/C=C(\C#N)C(=O)NCc2ccccc2)CC1 20403621 TXGPMNDEHSVHLR-FYWRMAATSA-N 284.363 0.958 50 40 CCGB O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccncc1 5778229 LCYXEASHSSARRQ-WDEREUQCSA-N 289.291 0.510 50 40 CCGB C[C@@H]1C(C#N)(C#N)C(C#N)=C(N)[C@@]1(Cl)[N+](=O)[O-] 87316 CWRGCDKIXIGGAV-ANLVUFKYSA-N 251.633 0.618 50 40 CCGB Cn1ncc2c(N3CCN(C(=O)CCl)CC3)ncnc21 57218651 JPGVLMXSZAUQOW-UHFFFAOYSA-N 294.746 0.251 50 40 CCGB in-vitro O=C(CSS(=O)(=O)O)Nc1ncc([N+](=O)[O-])s1 8856383 IPNBMURKMKFCKQ-UHFFFAOYSA-N 299.311 0.526 50 40 CCGB COc1cccc(C(=O)NNC(=O)CCCC(=O)O)c1 2759032 BHORBFSWSBVIHW-UHFFFAOYSA-N 280.280 0.711 50 40 CCGB O=C(COC(=O)c1ccco1)NNC(=O)c1ccccc1 3514507 TYFGXRIFHSWVAB-UHFFFAOYSA-N 288.259 0.898 50 40 CCGB CC(C)CO[C@H](C)C(=O)NNC(=O)c1ccccn1 49136691 SOFXKJWDNCLHMC-SNVBAGLBSA-N 265.313 0.904 50 40 CCGB O=C(NNC(=S)NCc1ccco1)c1ccncc1 4673116 ZWEADJKWLIHMED-UHFFFAOYSA-N 276.321 0.984 50 40 CCGB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccco1 2927844 FNOKYVIJDFZZHR-NKWVEPMBSA-N 263.702 0.414 50 40 CCGB O=NN(CCCl)C(=O)NC1[C@@H](O)CCC[C@H]1O 18127787 BQIFCAGMUAMYDV-DHBOJHSNSA-N 265.697 0.193 50 40 CCGB Nc1nonc1C(=O)N/N=C/c1c[nH]c2ccccc12 3017079 YKYSCNVVDWVSMS-GIDUJCDVSA-N 270.252 0.897 50 40 CCGB O=C(O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8398337 YXPSLOHNNGSOGW-UHFFFAOYSA-N 298.211 0.811 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)Cn2cncn2)cc1 548427 NPINTIMVPXXTIS-VIZOYTHASA-N 272.312 0.494 50 40 CCGB COc1ccc(-c2cc(C(=O)NN)n[nH]2)cc1F 16736950 KCZIILGDCPQCHI-UHFFFAOYSA-N 250.233 0.828 50 40 CCGB C/C(=N\NC(=O)c1ccc(O)nn1)c1cccnc1 8830391 ROIJYNZVOGZXQK-RIYZIHGNSA-N 257.253 0.731 50 40 CCGB CCCOC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167620 ODJCKAHRQHKTKN-RQJHMYQMSA-N 271.791 0.692 50 40 CCGB CS(=O)(=O)[C@H](I)[C@@H](O)C1CC1 96519226 ZLNWOBTVUPRXPP-WDSKDSINSA-N 290.122 0.563 50 40 CCGB CNC(=S)NNC(=O)Cn1cnc2ccccc21 7560500 GJFKTSOEIMSADN-UHFFFAOYSA-N 263.326 0.161 50 40 CCGB COc1ccc(C(=O)NNC(=O)/C=C/C(=O)O)cc1 3129297 JHRBEIOILFPSIU-VOTSOKGWSA-N 264.237 0.097 50 40 CCGB CC(=O)c1cc(Br)cc(B(O)O)c1F 725343224 AKGZCLPXQXCMDX-UHFFFAOYSA-N 260.855 0.471 50 40 CCGB O=C(N/N=C/c1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1 137972 SNCOVMIZPWWMDP-NTUHNPAUSA-N 273.252 0.219 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C/c1ccccc1C(=O)O 1847152 JQXNGYVKWGGECM-RIYZIHGNSA-O 264.305 0.541 50 40 CCGB Nc1nonc1C(=O)N/N=C/c1cccc2c1OCO2 494346 UNMZRKNRTVYQES-YIXHJXPBSA-N 275.224 0.144 50 40 CCGB N#CCC(=O)N/N=C/c1ccc(/C=N/NC(=O)CC#N)cc1 408719627 IDRGKOYDHFRCOS-BEQMOXJMSA-N 296.290 0.414 50 40 CCGB O=C1NCCC[C@H]1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 551740 HYDVGLHZTPKMFG-OXFWXOROSA-N 290.279 0.571 50 40 CCGB Cc1[nH]nc2c1[C@]1(CC[C@H]3CO[C@@H]1O3)C(C#N)=C(N)O2 8783480 BMRWNUGNONREHY-YLJLNXRRSA-N 274.280 0.578 50 40 CCGB CCC(CC)=NNC(=O)C(=O)NCc1ccccn1 59515701 FTQBIAUHUOUWTF-UHFFFAOYSA-N 262.313 0.990 50 40 CCGB N#C/C(=C\NC(=O)NC1CCCCC1)C(=O)NN 100356165 PNHYSGHHUBZDPC-BQYQJAHWSA-N 251.290 0.016 50 40 CCGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccco1 409376780 CWLHBKYGDVVPSK-HLFFCZDVSA-N 290.275 0.564 50 40 CCGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(F)cc1 100151548 NITRLYQJVCJNDO-BXRZMRDGSA-N 276.271 0.788 50 40 CCGB COC(=O)[C@@H]1CCC(/C(C#N)=C2/CC[C@@H](C(=O)OC)N2)=N1 100285117 HEMMGWQVSFWCAQ-RTVKQWPZSA-N 291.307 0.465 50 40 CCGB biogenic COc1cc2[nH]cc(C(=O)NN)c(=O)c2cc1OC 64873614 CSGOWJLAMUQHEP-UHFFFAOYSA-N 263.253 0.149 50 40 CCGB CCO/N=C(\C)C(=O)NNS(=O)(=O)c1ccc(C)cc1 8637772 IXMYUHDXDHOIDL-GXDHUFHOSA-N 299.352 0.717 50 40 CCGB COc1ccc(Br)cc1/C=N/NC(=O)CO 59515377 AVPXSPBSMSORDF-LFYBBSHMSA-N 287.113 0.900 50 40 CCGB C/C=C/C1=C(Cl)[C@H](O)[C@H](Cl)[C@]1(O)C(=O)OC 13411630 NOCLOSXSSSZXNK-XFUCVFLYSA-N 267.108 0.941 50 40 CCGB biogenic,in-vitro COC(=O)NNS(=O)(=O)c1ccc(OC)c(OC)c1 7405556 TVXYKUWKKIWKFH-UHFFFAOYSA-N 290.297 0.253 50 40 CCGB O=C(N/N=C/c1cccc(O)c1)C(=O)N1CCCC1 5944393 FBFKOQJENAEHBR-NTEUORMPSA-N 261.281 0.465 50 40 CCGB N#CCC(=O)N/N=C/c1ccc(N2CCOCC2)o1 58619 IOWUPWLCQOBBIP-NTEUORMPSA-N 262.269 0.480 50 40 CCGB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1CC#CCCl 101151918 QUUNVRWFOIXKNW-KYXWUPHJSA-N 253.685 0.391 50 40 CCGB O=S1(=O)C[C@H]2Sc3nncn3[C@@H]2[C@@H]1Br 25502232 JPNIRFRMIOBGTE-MROZADKFSA-N 296.171 0.443 50 40 CCGB Cn1cc(C(=O)NNC(=S)Nc2ccccc2)nn1 1326991408 QHRCMIZPFOTXRM-UHFFFAOYSA-N 276.325 0.447 50 40 CCGB CCC(=O)NNS(=O)(=O)c1ccc(Cl)nc1 57734883 FFFCIEDDPHJXDD-UHFFFAOYSA-N 263.706 0.455 50 40 CCGB COc1ccc(Cl)c2c(=O)ccn(CC(=O)NN)c12 64874743 NCKFHMNJSRKCRT-UHFFFAOYSA-N 281.699 0.653 50 40 CCGB O=C(NC[C@H]1CCCO1)NNC(=S)NC1CC1 71830879 JKJRZTFEXRFHSI-MRVPVSSYSA-N 258.347 0.006 50 40 CCGB C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N/NC(N)=O 5503163 KBIIYBNZZZFXSP-AUWJEWJLSA-N 279.256 0.968 50 40 CCGB Cn1c(=O)c2c(nc(Cl)n2CCCl)n(C)c1=O 497624 XVTKNQJKNKGOGX-UHFFFAOYSA-N 277.111 0.326 50 40 CCGB CN1CCC(=NNC(=O)Cn2nnc3ccccc32)CC1 57270861 ZZZMAQRJQDKWRQ-UHFFFAOYSA-N 286.339 0.629 50 40 CCGB COCCNC(=O)/C(C#N)=C1\C(=O)N(C)c2ccccc21 61717448 IOUMYMDLOGCQAY-QBFSEMIESA-N 285.303 0.703 50 40 CCGB O=[S@](O)CCCCSSC[C@@H](O)CO 17175185 PTBCLNNPKKSWGX-ZETCQYMHSA-N 260.402 0.723 50 40 CCGB Cn1ncc2c(NNC(=O)c3ccco3)ncnc21 20661901 FLUDAYKHPNESGD-UHFFFAOYSA-N 258.241 0.713 50 40 CCGB CCNC(=S)NNC(=O)c1ccccc1OC 5027120 OBAACTWRPWXDRX-UHFFFAOYSA-N 253.327 0.824 50 40 CCGB COc1ccc(CCNC(=S)NNC=O)cc1OC 17008988 SHMAEZSXIJRFIZ-UHFFFAOYSA-N 283.353 0.371 50 40 CCGB CNC(=S)NNC(=O)c1sc2ncccc2c1N 19894302 YVORYIUJNMGBLB-UHFFFAOYSA-N 281.366 0.617 50 40 CCGB NNC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1 98211059 SQLRBCXJGIGXRM-UHFFFAOYSA-N 294.318 0.992 50 40 CCGB CCC(CC)=NNC(=O)C(=O)NCc1ccncc1 59459506 DOYBIPPHONWHPZ-UHFFFAOYSA-N 262.313 0.990 50 40 CCGB CCN(CC)C(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40168468 PDQIYCXIHSBFIB-YUMQZZPRSA-N 284.834 0.607 50 40 CCGB O=C(O)[C@@H]1[C@H]2O[C@@H]([C@@H](Cl)[C@H]2Cl)[C@@H]1C(=O)O 104156799 XBEBUXJCOSVHIZ-XJTPDSDZSA-N 255.053 0.384 50 40 CCGB NC(=O)N/N=C1/CCCC/C(=N/NC(N)=O)CC1 4664675 WJMOGLZVWBEHHF-PVRNWPCDSA-N 254.294 0.389 50 40 CCGB O=C(CCl)Nc1ccccc1C(=O)Nn1cnnc1 14406033 APHNFOOJQIIHSG-UHFFFAOYSA-N 279.687 0.839 50 40 CCGB COc1ccc(C(=O)NNC(N)=S)cc1OC 40144 YBKZETPFWSZVGV-UHFFFAOYSA-N 255.299 0.182 50 40 CCGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccncc1 100151621 VIMNSOQEYRRSQC-UQDQQJHMSA-N 259.269 0.044 50 40 CCGB N#CCC(=O)N/N=C(\N)COc1ccc(F)cc1 4039331 JBUSIWBFRNIWID-UHFFFAOYSA-N 250.233 0.507 50 40 CCGB O=C(NNC(=O)[C@@H]1CCOC1)c1ccc(Cl)cc1O 95956030 YVHDIQJVYLYDQF-SSDOTTSWSA-N 284.699 0.843 50 40 CCGB CN(C)c1c(Cl)cc(C(=O)NN)cc1[N+](=O)[O-] 226242396 JRCVVUQJHIIHCI-UHFFFAOYSA-N 258.665 0.918 50 40 CCGB NNC(=O)CN1C=Nc2sc3c(c2[C@H]1O)CCCC3 96372327 FVKNMZNPDFBROB-GFCCVEGCSA-N 280.353 0.583 50 40 CCGB C[C@H](Cl)C(=O)NC[C@H]1CC[C@@H](N2CCOCC2)NC1 256052408 NDYDLKVEXRCZGD-SDDRHHMPSA-N 289.807 0.388 50 40 CCGB CCC(=O)OCNC(=O)NNc1ccc([N+](=O)[O-])cn1 18179945 LSTXAQFRQDECML-UHFFFAOYSA-N 283.244 0.527 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OCC)c1 6879443 YYPLFFKSGOCXED-CXUHLZMHSA-N 293.323 0.767 50 40 CCGB Cc1cnn([C@H](C)C(=O)NNC(=S)NC2CC2)c1 2779261 JNABUWVKJCBXJO-MRVPVSSYSA-N 267.358 0.410 50 40 CCGB CC1(C)Cc2ccccc2/C(=C\C(=O)C(=O)NN)N1 101363319 AGFJIQHAVMPQRK-YRNVUSSQSA-N 259.309 0.511 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccc(F)cc1F 10109455 XAEQXJGDAMYAID-UHFFFAOYSA-N 278.280 0.930 50 40 CCGB COc1ccc(NC(=O)NNC(=O)C[C@H](C)O)cc1OC 17024229 FYVRLANJFLTBGB-QMMMGPOBSA-N 297.311 0.627 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 408968822 BUEFGAMCAJEOQT-HVIDBACLSA-N 293.323 0.766 50 40 CCGB O=C(NCc1ccco1)C(=O)NNC(=O)C1CCCCC1 12972205 VUSQOBDYDLBOKX-UHFFFAOYSA-N 293.323 0.624 50 40 CCGB CCOC(=O)NNC(=O)c1cnn(-c2ccccc2)c1N 4293713 LJFGQZNILWYWLU-UHFFFAOYSA-N 289.295 0.845 50 40 CCGB O=C(Cc1ccccc1)NNC(=S)NC[C@H]1CCCO1 16274323 CLSNESQLFVBSHQ-GFCCVEGCSA-N 293.392 0.903 50 40 CCGB CN(NC(=O)Nc1cccc([N+](=O)[O-])c1)C(N)=O 95455366 IHTGIISYCNIORZ-UHFFFAOYSA-N 253.218 0.642 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1 6953813 DUJFFZSBFHERAQ-MKMNVTDBSA-N 269.688 0.632 50 40 CCGB COCCNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1 408862934 JQLCIKOLCSEVRY-SOFGYWHQSA-N 265.225 0.857 50 40 CCGB O=C1c2nccnc2[C@H](O)N1[C@H]1CC[C@@H](Cl)CN1 26892144 YJNRRXJWAKNWEG-FWWHASMVSA-N 268.704 0.240 50 40 CCGB CCOC(=O)/C(C#N)=C/C=C1/C=CNC2=NCCN21 17217733 KYCCQEPHQYGGBL-RGXGGPSXSA-N 258.281 0.672 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 5456215 KQGCKGDRMSDMQS-MKMNVTDBSA-N 263.253 0.002 50 40 CCGB COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCO1 256215 UYMHMXPTLMXPGV-GFCCVEGCSA-N 294.307 0.400 50 40 CCGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cccnc1 256459 VQIQRQSNMIOUIZ-VIFPVBQESA-N 267.248 0.383 50 40 CCGB COc1ccc(C(=O)NNC(=O)c2cnccn2)cc1F 11530527 MPNMVKVTFVXNGP-UHFFFAOYSA-N 290.254 0.699 50 40 CCGB O=C(CCc1ccco1)NNC(=O)c1cnccn1 11532238 SNMTZHNRUXRCJE-UHFFFAOYSA-N 260.253 0.463 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C\c1ccccc1[N+](=O)[O-] 4744295 UCRNAEPRNWUEBR-JYRVWZFOSA-O 265.293 0.751 50 40 CCGB O=C(NNC(=O)c1ccccc1C(=O)O)c1ccncc1 1501293 VYZMJTUQGSRXIG-UHFFFAOYSA-N 285.259 0.855 50 40 CCGB Cn1cc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)cn1 58159749 IKDMOYIMTPCYCD-UHFFFAOYSA-N 298.306 0.436 50 40 CCGB CCNC(=S)NNC(=O)CC(=O)Nc1ccccc1C 4739057 FRSVIPYJJZVOHI-UHFFFAOYSA-N 294.380 0.839 50 40 CCGB O=C1c2nccnc2[C@H](O)N1[C@H]1CC[C@H](Cl)CN1 37261754 YJNRRXJWAKNWEG-BYULHYEWSA-N 268.704 0.240 50 40 CCGB Cc1cc(SCC(=O)NN)nc(-c2cccnc2)n1 223465097 OIIWLBDSLVMPOK-UHFFFAOYSA-N 275.337 0.929 50 40 CCGB COc1ccc(/C(=N/NC(N)=O)C(OC)OC)cc1 5743076 DNVNOZMJRFNVTQ-UVTDQMKNSA-N 267.285 0.687 50 40 CCGB CC(=O)NNC(=O)CN1C(=O)[C@H](C)Oc2ccc(C)cc21 19988205 RZCUPFXWIMQLAT-VIFPVBQESA-N 291.307 0.276 50 40 CCGB O=C(Cn1cnc([N+](=O)[O-])n1)NN=C1CCCCC1 195986 NJIGFBWLRFNLNW-UHFFFAOYSA-N 266.261 0.623 50 40 CCGB CC(C)(C)OC(=O)OC(=O)N1CC2(CNC(=O)C2)C1 101787693 YGRLVQBMRICSEV-UHFFFAOYSA-N 270.285 0.880 50 40 CCGB COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 20248178 IWXLJKLKIJPFLM-XNTDXEJSSA-N 277.324 0.478 50 40 CCGB COc1ccc(/C=N/NC(=O)c2n[nH]nc2S)cc1 6006156 DPAPYQSJAOAIDB-WUXMJOGZSA-N 277.309 0.866 50 40 CCGB COc1cccc(C(=O)N2CCC(C(=O)NN)CC2)c1 408972597 PLPHIPBOFLTTFT-UHFFFAOYSA-N 277.324 0.537 50 40 CCGB O=C(CCl)N(c1ncccn1)[C@@H]1CCS(=O)(=O)C1 40177554 KSUMJTZQIVWZOV-MRVPVSSYSA-N 289.744 0.236 50 40 CCGB C=CCc1cccc(/C=N/NC(=O)[C@@H]2C=NNC2=O)c1O 100948927 GGPYSDGIIVQQGW-BXRZMRDGSA-N 286.291 0.303 50 40 CCGB COc1ccc(/C=N/NC(=O)c2ccc[n+]([O-])c2)cc1O 3172646 AOGQGGGPHJTIMG-OVCLIPMQSA-N 287.275 0.798 50 40 CCGB CCc1ccccc1NC(=O)NNC(=O)CCO 95942390 JHMYHQVZSGAERN-UHFFFAOYSA-N 251.286 0.784 50 40 CCGB CC(=O)c1ccc(Br)c(B(O)O)c1F 169995155 WVFYJYHNIWIUOI-UHFFFAOYSA-N 260.855 0.471 50 40 CCGB in-vitro NC(=O)C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 3471879 NRVLROBICZONHF-PJQLUOCWSA-N 259.187 0.641 50 40 CCGB NNC(=O)[C@H]1CCCN1C(=O)c1ccc(F)cc1 9644783 SHCYGMHDBSHVCX-SNVBAGLBSA-N 251.261 0.420 50 40 CCGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccco1 3195971 SKBLSYDEVVINQO-UHFFFAOYSA-N 291.288 0.663 50 40 CCGB O=C1O[C@H]2[C@@H](I)[C@@H]3C[C@H]2[C@H]1[C@@H]3CO 17111771 PSTGDDPSSSCMBH-KQDJMFFBSA-N 294.088 0.590 50 40 CCGB CCNC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2 49152450 MOPFOODGQLWXPK-UHFFFAOYSA-N 283.353 0.688 50 40 CCGB COCC(=O)NNC(=O)c1ccc(OC(C)C)cc1 6558579 WDTXPUPMHHLGLX-UHFFFAOYSA-N 266.297 0.881 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(F)cc1 5511575 DDTHOKHXUCDCJP-CXUHLZMHSA-N 281.287 0.429 50 40 CCGB CCCOc1ccc(CN2C[C@@H](C(=O)NN)CC2=O)cc1 1888994945 ISEQPPNWZWBIEP-LBPRGKRZSA-N 291.351 0.814 50 40 CCGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccnc1 320602 UUKPXDMPBYYMHS-UHFFFAOYSA-N 295.295 0.844 50 40 CCGB Cc1nn(C)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 4625922 UOTZRRZUNHZECU-NSHDSACASA-N 270.296 0.978 50 40 CCGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc[nH]1 408977832 YJSWQEDZYZAGCC-LHHJGKSTSA-N 276.256 0.578 50 40 CCGB Cc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1 16777408 RZEFYRJBERIAAB-UHFFFAOYSA-N 259.269 0.951 50 40 CCGB CC(=O)[C@@H](I)S(C)(=O)=O 96517934 CMCCULXEGOHBBM-BYPYZUCNSA-N 262.068 0.381 50 40 CCGB COc1ccc(S(=O)(=O)NNC(C)=O)cc1OC 7405248 IVHHXSRTRSNQRA-UHFFFAOYSA-N 274.298 0.033 50 40 CCGB COc1ccc(/C=N/NC(=O)c2nonc2N)cc1 50269 UUOVTFIABKOCKV-AWNIVKPZSA-N 261.241 0.424 50 40 CCGB CCOC(=O)[C@@H]1CC=C(C#N)O[C@@]1(C)NC(C)=O 4267755 BPYWQISGBXESGJ-CMPLNLGQSA-N 252.270 0.846 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1cccc(O)c1 59246364 OVJHIIACIUBBAV-NTEUORMPSA-N 263.297 0.175 50 40 CCGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccco1 59459502 WCVNEOQQZKVPDK-CXUHLZMHSA-N 272.264 0.441 50 40 CCGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CC#N)c1O 5176799 FFXAXBWNIHNCFR-AWNIVKPZSA-N 278.224 0.673 50 40 CCGB Cc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 27534317 IKLXLMGXQMSKRA-XNTDXEJSSA-N 261.325 0.777 50 40 CCGB COCCN(CCC[Si](OC)(OC)OC)CCOC 217645997 BBCCHGCCDLYOAY-UHFFFAOYSA-N 295.452 0.849 50 40 CCGB CCC[C@H]1C/C(=N/NC(N)=O)[C@@H](NNC(N)=O)[C@@H](C)C1 5431989 MURNLHPXXRPLPI-AZWNCWINSA-N 284.364 0.398 50 40 CCGB NC(=O)N/N=C1/CC[C@@H]2C[C@H]1CC/C2=N\NC(N)=O 4529822 BUGBBBRCRQAXGR-BVRBHSCYSA-N 266.305 0.245 50 40 CCGB CCCCOC(=O)[C@@H]1N2CCC(CC2)[C@]1(O)C#N 29748794 NYHNBIBTPQVROL-WCQYABFASA-N 252.314 0.679 50 40 CCGB O=C1c2nccnc2[C@H](O)N1[C@@H]1CC[C@H](Cl)CN1 37261751 YJNRRXJWAKNWEG-PJKMHFRUSA-N 268.704 0.240 50 40 CCGB COc1ccc2c(=O)c(/C=N/NC(N)=O)coc2c1 549213 IIXGSXAUAUFQCC-LHHJGKSTSA-N 261.237 0.804 50 40 CCGB NNC(=O)CSc1cc(N)nc(-c2ccccc2)n1 223463334 MBYKESUZMKPWBK-UHFFFAOYSA-N 275.337 0.808 50 40 CCGB COc1ccc(NC(=S)NNC=O)cc1OC 5941227 ADAAXCBLJQCULM-UHFFFAOYSA-N 255.299 0.651 50 40 CCGB CC(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 13727275 CYRWXPOPGYQBGU-JGVFFNPUSA-N 253.751 0.553 50 40 CCGB O[C@H](CCl)COCCOCCOCCCl 5368949 ZMJDLVCAWIUSFL-SECBINFHSA-N 261.145 0.875 50 40 CCGB N#CC1=C(N)NC(S)=C(C(N)=O)C12CCCCC2 3888276 CUWOLOLXNURYBY-UHFFFAOYSA-N 264.354 0.861 50 40 CCGB CS(=O)(=O)c1ccc(NNC=C(C#N)C#N)cc1 47454233 DOARBMGEZMBACU-UHFFFAOYSA-N 262.294 0.938 50 40 CCGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccoc1 18209495 SUMKLPINGMWEPM-MRVPVSSYSA-N 256.221 0.581 50 40 CCGB CC(=O)c1c(C)c2c(c3c1OC(=O)C3)C(=O)OC2=O 100059705 WJUJSIKOFTWAIV-UHFFFAOYSA-N 260.201 0.970 50 40 CCGB CC(=O)N/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NN 12505413 FAAHVVAUGHBRRY-RMKNXTFCSA-N 264.241 0.062 50 40 CCGB O=C(NCc1ccccn1)NNC(=O)NCC(F)(F)F 48731731 UOPSXPZZUZDEED-UHFFFAOYSA-N 291.233 0.657 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1cccc(F)c1 19798630 BPOJHWFMGSDBMA-OQLLNIDSSA-N 265.288 0.608 50 40 CCGB CCCNC(=S)NNC(=O)Cn1cc(C)cn1 2793461 CNBNMAZRDOJYBW-UHFFFAOYSA-N 255.347 0.097 50 40 CCGB O=C(NNC(=O)C1CCN(C(=O)C2CC2)CC1)C1CC1 41781180 JITYXQSSQCNXPW-UHFFFAOYSA-N 279.340 0.192 50 40 CCGB N#C/C(=C\c1ccncc1)c1n[nH]c(Cn2cncn2)n1 4049966 FOWSJPLYCGSSDF-VZUCSPMQSA-N 278.279 0.904 50 40 CCGB CCOC(=O)C1=C(CBr)NC(=O)N[C@H]1C 160498 XSNBUBULHHFXMW-YFKPBYRVSA-N 277.118 0.900 50 40 CCGB in-vitro CCCCCC[C@@]1(/C=N\NC(N)=O)NC(=O)N(C)C1=O 17324199 QYUOODMTECMWFJ-QENILXLESA-N 283.332 0.531 50 40 CCGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1O 8218836 OUWROQHMDYFCAY-OVCLIPMQSA-N 291.307 0.520 50 40 CCGB N#CC1=C(N)O[C@@]2(N3CCOCC3)CCC[C@@H]2C1(C#N)C#N 22145666 GSTUHLBAZSGMOM-DOMZBBRYSA-N 299.334 0.573 50 40 CCGB CN(C)C(=O)[C@]12CC[C@@](C)(C(=O)OC1=O)C2(C)C 100748409 LSNGZNHEEACLJA-QWHCGFSZSA-N 253.298 0.971 50 40 CCGB NS(=O)(=O)c1ccc(CNC(=O)CCl)cc1 4207448 LTZYLTKHHXTVBQ-UHFFFAOYSA-N 262.718 0.189 50 40 CCGB in-vitro Nc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] 5572617 GGPDHVQPMMGBSV-UHFFFAOYSA-N 275.228 0.119 50 40 CCGB O=C(CCO)NNC(=O)Nc1cccc(F)c1F 95942653 CXFDRQDKKQYBEQ-UHFFFAOYSA-N 259.212 0.500 50 40 CCGB CC(=O)NNC(=O)c1sc2nc[nH]c(=O)c2c1C 73667205 SHZWZDMGOZFULT-UHFFFAOYSA-N 266.282 0.074 50 40 CCGB Nc1nnc(CC(=O)NN=Cc2cccs2)s1 254402925 LNTKCQYBMOQOES-UHFFFAOYSA-N 267.339 0.875 50 40 CCGB O=C(CN1CCOCC1)NNC(=O)c1ccc(Cl)cc1 19902096 HXJFIHYLEBXTMR-UHFFFAOYSA-N 297.742 0.433 50 40 CCGB COc1nc(N(C)C)nc(N(C#N)COCCCl)n1 3173392 FCENHKNSFCMBOZ-UHFFFAOYSA-N 286.723 0.447 50 40 CCGB CC(C)NC(=O)C(=O)NNC(=O)CC1CCCCC1 4553342 MHNMIEATQLZISR-UHFFFAOYSA-N 269.345 0.629 50 40 CCGB OB(O)c1cc(C(F)(F)F)c(C(F)(F)F)cn1 169810367 MBGWVTSEYBSJQV-UHFFFAOYSA-N 258.914 0.799 50 40 CCGB O=C(O)CCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 2775236 WXQKARSOYPGVFT-UHFFFAOYSA-N 295.251 0.611 50 40 CCGB COc1ncccc1C(=O)NNC(=O)c1cccnc1 44907535 BAUAWKLJJALBIP-UHFFFAOYSA-N 272.264 0.560 50 40 CCGB CC(=O)NNC(=O)CN1C(=O)[C@@H](C)Oc2ccc(C)cc21 19988209 RZCUPFXWIMQLAT-SECBINFHSA-N 291.307 0.276 50 40 CCGB N#Cc1ccc(C(=O)NNC(=O)c2cnns2)cc1 95957134 QYWRAXDQFCMEHY-UHFFFAOYSA-N 273.277 0.485 50 40 CCGB Cc1c(C(=O)NN)sc2nc3n(c(=N)c12)CCC3 100748779 RVRJCINATOSRDG-UHFFFAOYSA-N 263.326 0.435 50 40 CCGB O=C(NNC(=O)C1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 22872372 KRDINVDUNKEBKS-UHFFFAOYSA-N 282.256 0.111 50 40 CCGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1 9155579 RVMLUOHAJBDWNH-UHFFFAOYSA-N 299.352 0.611 50 40 CCGB CCNC(=O)NNC(=O)CSc1nc(C)cc(C)n1 49166004 ARSJCEMVZRGUCO-UHFFFAOYSA-N 283.357 0.536 50 40 CCGB CC(=O)S[C@H]1CS(=O)(=O)C[C@@H]1Br 16789876 CXORRTZVZLVOJB-WDSKDSINSA-N 273.173 0.827 50 40 CCGB O=C(Cn1c(=O)oc2ccccc21)NNC(=O)C1CC1 26967409 DECDBPYHAQGHOL-UHFFFAOYSA-N 275.264 0.152 50 40 CCGB N#C/C(C(N)=O)=C1/SCC(=O)N1c1ccccc1 4523356 DEBVTOFELUEYGM-XFXZXTDPSA-N 259.290 0.987 50 40 CCGB COCCNC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1 33363763 WQCFFIZIRZDJBL-POHAHGRESA-N 291.263 0.970 50 40 CCGB CCC(=O)N/N=C(\N)[C@@H](C)N1C(=O)c2ccccc2C1=O 95951419 ZRJWKGPYUVQOKI-MRVPVSSYSA-N 288.307 0.470 50 40 CCGB CCN(CC)C(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40168470 PDQIYCXIHSBFIB-HTQZYQBOSA-N 284.834 0.607 50 40 CCGB N#C/C(=C\c1nn(CCO)c(N)c1C#N)c1ccco1 4595512 FCDXDKVPVSXBQM-RMKNXTFCSA-N 269.264 0.986 50 40 CCGB NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 86348 MXYVAJIVTBVNFC-UHFFFAOYSA-N 250.226 0.286 50 40 CCGB Nc1ccccc1C(=O)NNC(=O)c1ccncc1 3625977 QAHRZMMOBGKLFL-UHFFFAOYSA-N 256.265 0.739 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 3062095 SMPXQSXPUJLGDG-OQLLNIDSSA-N 290.279 0.737 50 40 CCGB COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)O)cc1 59515369 PCHRBBHJEWSZKY-MTDSNMTDSA-N 250.254 0.304 50 40 CCGB C/C(=N\NC(N)=O)[C@@]1(C)C[C@]2(CC(C)(C)OC2=O)C(=O)O1 4497894 XUZRWPYILFNIRR-PWPDAWQTSA-N 297.311 0.448 50 40 CCGB CCCCCC[C@H](O)C[C@@H](CCC(=O)NN)C(=O)NN 4610513 AJKFOMLDPVIJHN-MNOVXSKESA-N 288.392 0.084 50 40 CCGB CC(C)C[C@H](NC(=O)c1cccs1)C(=O)NN 85400251 URVBBYFACHKFBH-QMMMGPOBSA-N 255.343 0.883 50 40 CCGB COc1ccc(CC(=O)NNC(N)=S)cc1Cl 20134127 XNVZJXOGORBXAJ-UHFFFAOYSA-N 273.745 0.756 50 40 CCGB Nc1ncc(/C=N\NC(=O)c2ccccc2O)cn1 30846398 AWOLUMFPDJUGMG-APSNUPSMSA-N 257.253 0.528 50 40 CCGB C[C@]1(SC(=N)N)CS(=O)(=O)C[C@@H]1Br 6471056 SFOVNEXOFWLOBN-NJGYIYPDSA-N 287.204 0.564 50 40 CCGB CN(N=O)C(=O)NCCSc1ncnc2nc[nH]c12 8652557 KNBAVCNFOCPHPD-UHFFFAOYSA-N 281.301 0.768 50 40 CCGB O=C(NNC(=O)[C@@H]1CCCO1)c1ccc2c(c1)OCO2 27601222 PVZKXMOHFXHUHJ-JTQLQIEISA-N 278.264 0.355 50 40 CCGB O=C(NCc1ccc(Cl)cc1)c1cccc(B(O)O)c1 1503999762 QERRVDPQOPGUDF-UHFFFAOYSA-N 289.527 0.950 50 40 CCGB Cn1nc(CNC(=O)CCl)c2ccccc2c1=O 90529676 UXGSAUHHLUNOIN-UHFFFAOYSA-N 265.700 0.789 50 40 CCGB CC(=O)N/N=C(\N)c1nc2c(n3nc(C)nc13)CCCC2 5811834 FPVCTAZASCQPTP-UHFFFAOYSA-N 287.327 0.068 50 40 CCGB O=C(NNC(=O)c1cnccn1)c1ccc([N+](=O)[O-])cc1 260117 MTOMISXWHJSAHC-UHFFFAOYSA-N 287.235 0.460 50 40 CCGB Nc1nonc1NC(=O)N/N=C/c1ccc(O)cc1O 1899191 FVYADTVKXGEOAH-UUILKARUSA-N 278.228 0.219 50 40 CCGB CCCC(=O)NC(=S)NNC(=O)c1ccc(O)cc1 4977063 JFGVLKFEHWZASO-UHFFFAOYSA-N 281.337 0.828 50 40 CCGB N#Cc1cc(Br)ccc1OCC(=O)NN 1500909 DQYKZYZRDDNURW-UHFFFAOYSA-N 270.086 0.689 50 40 CCGB O=C(CN1CSCC1=O)NNC(=O)c1ccc(F)cc1 7913632 UWGSBTFNYQQDQG-UHFFFAOYSA-N 297.311 0.120 50 40 CCGB CNC(=O)/C(C#N)=C\c1cn(CC(N)=O)c2ccccc12 33651333 WFUCPKNNRSERCM-POHAHGRESA-N 282.303 0.780 50 40 CCGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(N)=O 5503161 FBTUIVCIEVWLJG-AUWJEWJLSA-N 279.256 0.968 50 40 CCGB CS(=O)(=O)SCCCC(=O)ON1C(=O)CCC1=O 2526434 QBMLLSNVYXTICS-UHFFFAOYSA-N 295.338 0.067 50 40 CCGB in-vitro O=C1NN=C[C@H]1C(=O)N/N=C/c1c(O)ccc2ccccc12 100948921 XAWBYUZDEQQEJZ-QFULYMJESA-N 296.286 0.727 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1cccnc1Cl 25143980 XUETYDPMOAPPQN-UHFFFAOYSA-N 277.733 0.701 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1cc(C)ccc1O 84794431 ZIPAIUPJTYYADU-UHFFFAOYSA-N 274.298 0.640 50 40 CCGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc[nH]n1 252497996 QTNKSLWBTWKQHV-WLRTZDKTSA-N 250.237 0.355 50 40 CCGB CCOC(=O)c1[nH]c(C)c(/C=N/NC(N)=O)c1C 1729617 NHURAFKRQHFROU-WLRTZDKTSA-N 252.274 0.810 50 40 CCGB Cn1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)n1 5730937 DARVLLSTWPPFBP-UHFFFAOYSA-N 269.264 0.506 50 40 CCGB CNC(=S)NNC(=O)COc1cc(C)ccc1C 7556246 HOSYZNFKONEPQE-UHFFFAOYSA-N 267.354 0.807 50 40 CCGB COc1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1 31937769 CCQAPABTXLDPSR-ZROIWOOFSA-O 250.322 0.852 50 40 CCGB COc1cc(C=NNC(=O)c2nc[nH]n2)ccc1O 254302933 BCQFUPCUUJXOGD-UHFFFAOYSA-N 261.241 0.283 50 40 CCGB CCOC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1 2557768 WWOKPYNTSWNFQU-UHFFFAOYSA-N 270.672 0.664 50 40 CCGB CC(=O)NC/C(C)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 4697705 HAFINMSKWXFSSO-ZSOIEALJSA-N 278.268 0.837 50 40 CCGB CC(C)CNC(=S)NNC(=O)c1ccncc1 6023244 ZVFOPVZMOOPMHR-UHFFFAOYSA-N 252.343 0.847 50 40 CCGB CC1(C)C(C#N)=C(SCC(=O)O)NC(=O)[C@@H]1C#N 4602737 WYYGIWOHYHSVBU-LURJTMIESA-N 265.294 0.835 50 40 CCGB CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C1/NCCN1C 72329881 JJLZYGIOXDZSPC-GHGFDZLXSA-N 293.323 0.309 50 40 CCGB NC(=O)N/N=C/c1ccc(OCC(=O)O)c(Cl)c1 408842809 BSBIMXAKPOSCNN-YIXHJXPBSA-N 271.660 0.806 50 40 CCGB Cc1nc(-c2ncn([C@@H]3CCCCO3)n2)ccc1B(O)O 642882644 YGZNAJGDTWKEND-LBPRGKRZSA-N 288.116 0.027 50 40 CCGB C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(F)cc1 69586175 JAJJRQFJQLYNOU-ZDUSSCGKSA-N 289.310 0.684 50 40 CCGB Nc1nnnn1CC(=O)N/N=C/c1ccccc1Cl 547845 WEKGUQIOPPKIGA-WLRTZDKTSA-N 279.691 0.059 50 40 CCGB CC(/C=C/c1ccccc1)=N/NC(=O)Cn1nnc(N)n1 547965 UEISUEISLOYKIW-XDOICYCNSA-N 285.311 0.461 50 40 CCGB Nc1nc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1 12341193 ARTRDZZFVIUXMX-LFYBBSHMSA-N 275.228 0.059 50 40 CCGB COCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1OC 17024468 ABFZQQSOBGOFMQ-UHFFFAOYSA-N 298.255 0.403 50 40 CCGB CCNC(=O)NNC(=O)COc1cccc2cccnc12 408567624 OYKKADFQWLEQEI-UHFFFAOYSA-N 288.307 0.964 50 40 CCGB O=S(=O)(CCl)C/C=C/CS(=O)(=O)CCl 255187284 CNDMFEBRTLYYNM-OWOJBTEDSA-N 281.182 0.765 50 40 CCGB CC1=C/C(=C(\C#N)C(N)=O)NC(c2ccccc2O)=N1 102567039 XCVBLHJHCGKIRH-KHPPLWFESA-N 268.276 0.909 50 40 CCGB O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCCO1 32262804 UFUUNBBRWFJKGW-LLVKDONJSA-N 266.272 0.695 50 40 CCGB CCOCCCNC(=O)/C(C#N)=C/c1cnn(C)c1 21791233 LRAWAVWONGAASW-KPKJPENVSA-N 262.313 0.870 50 40 CCGB CCOc1ccc(N2C[C@@H](C(=O)NN)CC2=O)cc1 4548303 BZFONHZXAPEXOD-VIFPVBQESA-N 263.297 0.428 50 40 CCGB CCNC(=S)NNC(=O)[C@@H](C)Oc1cccc(OC)c1 6655154 CSAMJNVJRHRCRG-SECBINFHSA-N 297.380 0.978 50 40 CCGB COc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)ccc1O 3057901 MTKUQGYCACXZDU-OVCLIPMQSA-N 293.323 0.766 50 40 CCGB COc1ccc(C(=O)N/N=C(\N)c2cnccn2)cc1 32502330 HGOUMZGUEMMIQZ-UHFFFAOYSA-N 271.280 0.536 50 40 CCGB CCSC(SCC)C(=O)NNC(=S)NC 3015727 SECNJEPFNVWRLH-UHFFFAOYSA-N 267.445 0.944 50 40 CCGB Cn1nnc2c1CCN(C(=O)CBr)C2 95097450 KPUGQISZNCPWIH-UHFFFAOYSA-N 259.107 0.095 50 40 CCGB CCOC(=O)Cn1cc(CCBr)nn1 642813746 ORVGTYVMMNDAGY-UHFFFAOYSA-N 262.107 0.779 50 40 CCGB COc1ccc(NC(=O)CNC(=O)CCl)cc1 64875663 BXYWTOKLHQUJPA-UHFFFAOYSA-N 256.689 0.989 50 40 CCGB OB(O)c1cc(F)c(I)c(F)c1 169748192 LSFYAVLDQLEKJH-UHFFFAOYSA-N 283.808 0.249 50 40 CCGB in-vitro COc1cc(C=O)cc(B(O)O)c1OCc1ccccc1 169806750 OWOUDVVLFZNGFS-UHFFFAOYSA-N 286.092 0.767 50 40 CCGB COc1ccc(CC(=O)NNc2nnc(C)c(=O)[nH]2)cc1 11548068 CDUHQOUPQGORSX-UHFFFAOYSA-N 289.295 0.168 50 40 CCGB Cc1scc(C(=O)NNC(=O)CCC(=O)O)c1C 2110968 ZQZJJNXPGQAVKE-UHFFFAOYSA-N 270.310 0.991 50 40 CCGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cccnc1 256455 VQIQRQSNMIOUIZ-SECBINFHSA-N 267.248 0.383 50 40 CCGB NNC(=O)c1nnc2sc(-c3ccc(F)cc3)nn12 57338994 GYRIIESKLPNHQK-UHFFFAOYSA-N 278.272 0.595 50 40 CCGB Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)C1CC1 15794013 ZDMYRZGCWDUJEF-UHFFFAOYSA-N 296.348 0.570 50 40 CCGB CN1CCC(=NNC(=O)CN2CCCCC2)CC1 408719302 BMKXBAUIYIUJJU-UHFFFAOYSA-N 252.362 0.670 50 40 CCGB CCN1C(=O)C[C@H](NNC(=O)c2ccccc2)C1=O 520746 MSZZSVXOFKBDAJ-JTQLQIEISA-N 261.281 0.068 50 40 CCGB NS(=O)(=O)c1ccc(CCNC(=O)CCCl)cc1 32626778 DUQKZDTUAJHOSA-UHFFFAOYSA-N 290.772 0.622 50 40 CCGB COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1C 408993450 DAWPDDLJWNMEBP-YBEGLDIGSA-N 291.351 0.786 50 40 CCGB Cc1nccn1CC(=O)N/N=C\c1ccc(O)c(O)c1 73235946 KSFRXBHDIOJSLR-CHHVJCJISA-N 274.280 0.753 50 40 CCGB CCN(CC)C(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40168472 PDQIYCXIHSBFIB-SFYZADRCSA-N 284.834 0.607 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1cccnc1 59459717 PWYUZDQLVYCILZ-MHWRWJLKSA-N 278.312 0.075 50 40 CCGB NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3394287 NLYCAGZGYKYLSV-UHFFFAOYSA-N 277.305 0.338 50 40 CCGB N#CC(NCC(=O)O)=C1C(=O)c2ccccc2C1=O 13285502 YVMIZKQJOUGRJJ-UHFFFAOYSA-N 256.217 0.517 50 40 CCGB O=C(C[n+]1ccccc1)N/N=C/c1cccc(O)c1 2705163 CVDRTIVLHFZISU-XNTDXEJSSA-O 256.285 0.830 50 40 CCGB N#Cc1ccc(CCC(=O)NNC(=O)c2cnccn2)cc1 11532069 UOOAQQQRSOELPR-UHFFFAOYSA-N 295.302 0.742 50 40 CCGB CCOc1ccc(CC(=O)NNC(N)=S)c(OCC)c1 20134150 BEFMFAFEOFAPLA-UHFFFAOYSA-N 297.380 0.891 50 40 CCGB CNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1 563716 ATRXXSJUBNLQET-UXBLZVDNSA-N 259.265 0.204 50 40 CCGB CN(C)C1=C(Cl)C(=O)[C@@H](Cl)C12OCCO2 4029673 ASPUSEKSTRXMIO-SSDOTTSWSA-N 252.097 0.932 50 40 CCGB biogenic CCNC(=S)NNC(=O)[C@H](C)Oc1cccc(OC)c1 6655172 CSAMJNVJRHRCRG-VIFPVBQESA-N 297.380 0.978 50 40 CCGB O=C(NNC(=O)[C@H]1CCOC1)c1ccc(Cl)cc1O 95956031 YVHDIQJVYLYDQF-ZETCQYMHSA-N 284.699 0.843 50 40 CCGB CCN1C(=O)C[C@H](NNC(=O)c2cccc(F)c2)C1=O 107270 VLBORCWONHZMKM-JTQLQIEISA-N 279.271 0.208 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1 59515496 MWUUKQYGVIDDAT-MHWRWJLKSA-N 274.324 0.505 50 40 CCGB COCCCNC(=O)/C(C#N)=C1\N=C(N)c2ccccc21 3394081 IUSSBMRDVCQHMR-SEYXRHQNSA-N 284.319 0.793 50 40 CCGB CNC(=S)NNC(=O)COc1ccc(F)cc1 7659712 KWPWTTWKKGPCCF-UHFFFAOYSA-N 257.290 0.330 50 40 CCGB CCS(=O)(=O)[C@H](I)[C@H](C)O 96519294 UHNKJHQGQBWKQN-WHFBIAKZSA-N 278.111 0.563 50 40 CCGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)C1CC1 70391 GNROXMQQIOEHKJ-UHFFFAOYSA-N 279.252 0.531 50 40 CCGB CCOC(=O)NNc1ccc(N(CC)C[C@H](C)O)nn1 1997889 QLTVVOATEHFXLT-VIFPVBQESA-N 283.332 0.757 50 40 CCGB world NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3887264 OJOMJVZSAFQXRT-UHFFFAOYSA-N 269.326 0.075 50 40 CCGB O=C(CN1CCCCCC1=O)NNC(=O)c1ccccc1 8086816 AGBJSHYVZZYKJF-UHFFFAOYSA-N 289.335 0.850 50 40 CCGB Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1C 408775021 FEQGXXLJVFJQIC-OQLLNIDSSA-N 278.356 0.424 50 40 CCGB O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccn1 37868833 KXYFGDQQDXQQBJ-CXUHLZMHSA-N 284.275 0.876 50 40 CCGB Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)no[n+]1[O-] 4117883 MEYJIBAESOVUQJ-WUXMJOGZSA-N 291.223 0.289 50 40 CCGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)CC#N 100522850 UNDMRSYUWMCXSK-OQLLNIDSSA-N 262.269 0.692 50 40 CCGB NC(=O)N(CCO)/N=C/C=C\c1ccc([N+](=O)[O-])o1 17313387 FXFISFDEMVDBSS-NREZNIRTSA-N 268.229 0.560 50 40 CCGB O=c1[nH]c(=O)n(COCCCl)cc1Br 4593407 QPYVDTSGZLZGNQ-UHFFFAOYSA-N 283.509 0.512 50 40 CCGB Cn1ncc(NC(=O)C(Cl)Cl)c1C(N)=O 2770856 UDLVGIJAXRQKNC-UHFFFAOYSA-N 251.073 0.261 50 40 CCGB O=C(CCCl)NN1C(=O)NC2(CCCCC2)C1=O 12505104 SOXPZRLWSZGMDT-UHFFFAOYSA-N 273.720 0.901 50 40 CCGB O=C(CCl)NCCNS(=O)(=O)c1ccccc1 6597919 AUTCTZFCNSXMNS-UHFFFAOYSA-N 276.745 0.320 50 40 CCGB COCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 46867066 JBNASXRBILFPLH-QMMMGPOBSA-N 270.260 0.387 50 40 CCGB CCN(CC)C(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40168466 PDQIYCXIHSBFIB-JGVFFNPUSA-N 284.834 0.607 50 40 CCGB O=C(CCl)Nc1cccc(C(=O)Nn2cnnc2)c1 14405889 VMHZVZBBQWSVIN-UHFFFAOYSA-N 279.687 0.839 50 40 CCGB Cc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)o1 3155719 MHNBJTYQTIAMIG-OVCLIPMQSA-N 275.264 0.948 50 40 CCGB C[C@H]1C(=O)NN=C1C(=O)N/N=C\c1ccc(N(C)C)cc1 100937863 GBBOBRBILLIQJH-VMSYHEBLSA-N 287.323 0.325 50 40 CCGB COCC(=O)N(c1c(C)cccc1C)[C@@H](C)C(=O)NN 27525472 NGHFWUQMJNWUFR-NSHDSACASA-N 279.340 0.661 50 40 CCGB CC1(C)OC(=O)C(=CNNC(=O)c2ccccc2)C(=O)O1 44835330 POHRPIRGKUPXFX-UHFFFAOYSA-N 290.275 0.641 50 40 CCGB NNC(=O)CCCNS(=O)(=O)c1ccc(Cl)cc1 90613058 TXGCIGWQKHTOPX-UHFFFAOYSA-N 291.760 0.388 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)c2nonc2N)cc1 198433 JTQIBMVSIKWHFR-VGOFMYFVSA-N 274.284 0.482 50 40 CCGB O[C@@H](CCl)COCCOCCOCCCl 5368950 ZMJDLVCAWIUSFL-VIFPVBQESA-N 261.145 0.875 50 40 CCGB O=C(CCCO)N/N=C\c1ccccc1[N+](=O)[O-] 4557853 LWCVSEXCZUTKMC-WQLSENKSSA-N 251.242 0.817 50 40 CCGB O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccncc1 345082 RJUICIQRGODBHD-MNOVXSKESA-N 291.307 0.734 50 40 CCGB COCCNC(=S)NNC(=O)Cc1ccccc1 2713858 ANNRXCMZLBNCID-UHFFFAOYSA-N 267.354 0.371 50 40 CCGB CC(=O)OC1=C[C@]2(OC(C)=O)CC[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104130674 POHOCVYIJHCYKB-IDTAVKCVSA-N 294.259 0.475 50 40 CCGB CC/C(=N\NC(=O)Cn1nnc(N)n1)c1ccccc1 13551671 QYZPBKKQYZGYKG-GXDHUFHOSA-N 273.300 0.186 50 40 CCGB CN(C)NC(=O)C[C@@H](NCc1ccccc1)C(=O)O 1727791 BTSABXAYEBRZOR-LLVKDONJSA-N 265.313 0.212 50 40 CCGB NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2532896 MRNZPESIKMOZCZ-SNVBAGLBSA-N 283.353 0.077 50 40 CCGB CCCOc1ccc(N2C[C@@H](C(=O)NN)CC2=O)cc1 66055583 PZGHFGYIEZQSSN-JTQLQIEISA-N 277.324 0.818 50 40 CCGB Cn1ncc2c(NNC(=O)c3ccccc3O)ncnc21 27666389 DPXAKQOKBBSWDX-UHFFFAOYSA-N 284.279 0.826 50 40 CCGB CCN(CC)C(=O)c1cc(Br)cc(B(O)O)c1 642815068 YZOPDAMWFWEQDM-UHFFFAOYSA-N 299.961 0.611 50 40 CCGB OC[C@@H](O)COC[C@H](Br)C(F)(F)F 1083807909 APRUHIYCRHKHRM-UHNVWZDZSA-N 267.041 0.682 50 40 CCGB CC(=O)ONC[C@@H](CBr)OC(C)=O 584578419 HWRFDVJKTHVQDJ-SSDOTTSWSA-N 254.080 0.381 50 40 CCGB O=C(N/N=C1/C(=O)N(CO)c2ccccc21)c1ccncc1 100466600 BPWBEYWWLGUESL-GHRIWEEISA-N 296.286 0.512 50 40 CCGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc(O)cc1 58884591 JWJDEEIMFAKLSD-VCHYOVAHSA-N 298.302 0.554 50 40 CCGB Cc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1 10109420 FPHAQIFUJNLCSV-UHFFFAOYSA-N 256.327 0.961 50 40 CCGB O=C(CNC(=O)c1ccco1)N/N=C/c1cccnc1 2269593 YVRWPYMEXFPPED-LZYBPNLTSA-N 272.264 0.555 50 40 CCGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)(C)C)c1O 5284030 KBRWXGUUARXDAD-OVCLIPMQSA-N 293.323 0.766 50 40 CCGB O=C(CCl)NNC(=O)[C@H]1COc2ccccc2O1 4200262 IGMNAYRFVQTWFZ-SECBINFHSA-N 270.672 0.213 50 40 CCGB CCCCCC[C@@H](O)C[C@@H](CCC(=O)NN)C(=O)NN 4610514 AJKFOMLDPVIJHN-GHMZBOCLSA-N 288.392 0.084 50 40 CCGB NNC(=O)c1cccc(Cn2cc(Cl)c(N)n2)c1 528658 WCHVFNCIGQVCME-UHFFFAOYSA-N 265.704 0.771 50 40 CCGB COc1cccc(/C=N/NC(=O)C[N+](=O)[O-])c1O 18194681 FVHIIXNOYJLPRF-VZUCSPMQSA-N 253.214 0.128 50 40 CCGB CNC(=O)C1CCN(C(=O)CBr)CC1 82506510 BGMMDGBATYTYSQ-UHFFFAOYSA-N 263.135 0.366 50 40 CCGB CCOC(=O)NNC(=O)c1ccc(N2CCOCC2)nc1 23241831 LARAUZHWFPWPOD-UHFFFAOYSA-N 294.311 0.309 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(O)c1 8219925 YTSWFDOVURTEAU-LZYBPNLTSA-N 287.275 0.752 50 40 CCGB CN(C)c1nc(N(C)C)nc(N2C[C@@H](Cl)OC2=O)n1 26803331 OQZDFMDUFALHJX-LURJTMIESA-N 286.723 0.525 50 40 CCGB NC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1 33326577 JIUHQYBHWLVJIH-PXNMLYILSA-N 287.275 0.908 50 40 CCGB O=c1c2ccccc2nc(O)n1OS(=O)(=O)CCl 255187313 CRRZBGOGFULJLJ-UHFFFAOYSA-N 290.684 0.057 50 40 CCGB CSCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 21130086 ALXGEGLARNJSPY-UHFFFAOYSA-N 282.369 0.803 50 40 CCGB COc1ccc(/C=C/C(=O)NNC(N)=S)cc1OC 62714411 RAHBNICHDPHMQU-GQCTYLIASA-N 281.337 0.581 50 40 CCGB C[C@@]1(SC(=N)N)CS(=O)(=O)C[C@@H]1Br 6472543 SFOVNEXOFWLOBN-UJURSFKZSA-N 287.204 0.564 50 40 CCGB CNC(=S)NNC(=O)[C@H](C)Oc1ccc(F)cc1F 6850536 OBMZXFSIBAYSNY-LURJTMIESA-N 289.307 0.857 50 40 CCGB CCNC(=S)NNC(=O)C(=O)Nc1ccccc1 67172519 PIPVTFQMMZZRDJ-UHFFFAOYSA-N 266.326 0.140 50 40 CCGB Cn1cc(/C=C/C(=O)NNC(=O)C2CCCC2)cn1 47451456 XTAUNFKLRCXPQJ-VOTSOKGWSA-N 262.313 0.771 50 40 CCGB CCOc1ccc(OCC(=O)NNC(N)=S)cc1 9286944 KSIUJMITHFHPCG-UHFFFAOYSA-N 269.326 0.329 50 40 CCGB O=C(N/N=C/c1ccccn1)C(=O)N/N=C/c1ccccn1 2164576 DJWCJHWJZFLFAC-BEQMOXJMSA-N 296.290 0.077 50 40 CCGB CCCCS(=O)(=O)CCSS(=O)(=O)O 3160903 BEYQLXJEWLAPBE-UHFFFAOYSA-N 262.374 0.737 50 40 CCGB CCOC(=O)/C=C/C(=O)NNC(=O)c1cccs1 1893944 MWIGKBTUKSKKRM-AATRIKPKSA-N 268.294 0.628 50 40 CCGB COC(=O)CCC(=O)NNC(=O)c1cccs1 2132175 PHGAOKJZUCFSRZ-UHFFFAOYSA-N 256.283 0.462 50 40 CCGB C=CCNC(=S)NNC(=O)Cc1ccc(OC)cc1 6646493 KISOVKPMDZODJC-UHFFFAOYSA-N 279.365 0.919 50 40 CCGB CCOC(=O)CN/C=C(\C=N/NC(N)=O)c1ccccc1 36056556 RXXUJYDJGLAZBF-PFYYBVRVSA-N 290.323 0.834 50 40 CCGB CCC(=O)N/N=C(\N)[C@H](C)N1C(=O)c2ccccc2C1=O 95951420 ZRJWKGPYUVQOKI-QMMMGPOBSA-N 288.307 0.470 50 40 CCGB O=C(N/N=C/c1ccc(O)cc1)C(=O)N1CCCC1 5944513 NLOCOGBPHDZDFG-NTEUORMPSA-N 261.281 0.465 50 40 CCGB C/C(C/C(=N/NC(N)=O)c1ccccc1)=N\NC(N)=O 5480032 UUJYYXGQNQHBOG-BAEUGAPFSA-N 276.300 0.493 50 40 CCGB COC(=O)[C@@]1(NC(C)=O)C[C@@H](C)C(C)=C(C#N)O1 4267390 NPHVMGCIMALCDR-JMCQJSRRSA-N 252.270 0.846 50 40 CCGB CCNC(=S)NNC(=O)c1cccc(OC)c1 15845993 DUQJXWGRODKCMV-UHFFFAOYSA-N 253.327 0.824 50 40 CCGB CS(=O)(=O)[C@@H](I)[C@@H](O)C1CC1 96519227 ZLNWOBTVUPRXPP-NTSWFWBYSA-N 290.122 0.563 50 40 CCGB O=C(CNC(=O)c1ccco1)N/N=C/c1cccc(O)c1 3116376 GBYWDSKZUWHLTL-LZYBPNLTSA-N 287.275 0.865 50 40 CCGB O=C(O)CN1C(=O)[C@@H]2C[C@H](Cl)[C@@H](Cl)C[C@H]2C1=O 408688404 WQHHDDSOHCABSS-JWXFUTCRSA-N 280.107 0.681 50 40 CCGB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NN)ccc12 2650209 WSJJLOWBIZJERK-MRVPVSSYSA-N 262.265 0.859 50 40 CCGB NNC(=O)c1cc(Cl)c(C(=O)NN)cc1Cl 255187627 FRSGRHHCUVMLKY-UHFFFAOYSA-N 263.084 0.200 50 40 CCGB N#Cc1ccccc1OCC(=O)NNC(=O)c1ccncc1 15978378 WJDKETVDFRGIAY-UHFFFAOYSA-N 296.286 0.793 50 40 CCGB COC(=O)C1=C[C@H]2[C@@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31 100818397 RLOCDRQSSNUEDF-ZZZYUPHESA-N 260.245 0.463 50 40 CCGB CCOC(=O)/C(C#N)=C\Nc1[nH]ncc1C(=O)OCC 100205865 GMGGKDVJSPDXNB-VURMDHGXSA-N 278.268 0.969 50 40 CCGB CCOc1ccc(CC(=O)NNC(N)=S)cc1[N+](=O)[O-] 20134143 VWJCQOJYVCSFRT-UHFFFAOYSA-N 298.324 0.400 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1cccs1 59147637 LFXBILKVTLAEIZ-XYOKQWHBSA-N 253.327 0.530 50 40 CCGB NNC(=O)c1ncn(C[C@@H](O)c2cccc(Cl)c2)n1 98210962 JYTLOJPCDIZIPO-SECBINFHSA-N 281.703 0.269 50 40 CCGB CC1=C[C@H]2[C@@H]3[C@H]([C@H]4C(=O)OC(=O)[C@H]34)[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 100039881 KLCJBGADIXBIIG-WJIYTHKDSA-N 288.255 0.070 50 40 CCGB Cc1ccsc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 59435546 UDYZLRXLAVJLBI-XBLUXWHVSA-N 295.364 0.802 50 40 CCGB O=C1Nc2ccccc2/C1=N/NC(=O)c1cnccn1 4855023 WDOFJJDZDASMJP-UHFFFAOYSA-N 267.248 0.563 50 40 CCGB O=C(Cc1ccncc1)NNC(=O)Nc1ccccn1 83064583 BBXVJUCBUGZAFD-UHFFFAOYSA-N 271.280 0.872 50 40 CCGB CC1=C[C@H]([C@H]2CC(=O)OC2=O)C[C@@H]2C(=O)OC(=O)[C@@H]12 169744841 DGQOZCNCJKEVOA-ODHVRURNSA-N 264.233 0.358 50 40 CCGB O=C(CCl)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 19851478 SEYKHICAQJLAHI-UHFFFAOYSA-N 284.703 0.877 50 40 CCGB CCN1/C(=N/C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 13689900 UJZJLABPBMJZKV-NSDPBNLTSA-N 296.801 0.342 50 40 CCGB NC(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 1616945 IWFGIKJYJFKJHB-UHFFFAOYSA-N 252.318 0.838 50 40 CCGB CC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)O 253618509 DUZCKWIIFMGYEY-UHFFFAOYSA-N 281.224 0.550 50 40 CCGB CC1=NC=C(CO)/C(=C/NNC(=O)c2ccncc2)C1=O 33838888 HOYFGBFEIXEDEL-GHXNOFRVSA-N 286.291 0.120 50 40 CCGB CCCNC(=S)NNC(=O)c1ccccc1O 6934489 ZYTQPLUDCLKSPT-UHFFFAOYSA-N 253.327 0.911 50 40 CCGB CN(C)C(=O)[C@@H]1CCCN1C(=O)CBr 72207529 SLLIGHNKZSTDIQ-ZETCQYMHSA-N 263.135 0.461 50 40 CCGB Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1cccnc1 44867951 GYGLYWYYOPEQLX-UHFFFAOYSA-N 287.323 0.815 50 40 CCGB N#CCCNCCC[Si]12OCCN(CCO1)CCO2 195752882 DITOVOHSTPLDKH-UHFFFAOYSA-N 285.420 0.198 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1cccnc1 6079909 LJRLZTNGEJMXGZ-VCHYOVAHSA-N 283.291 0.243 50 40 CCGB COc1cc(C[C@H]2CC(C(=O)NN)=NO2)cc2c1OCO2 12418915 JZNNFLSJLRLHBK-QMMMGPOBSA-N 293.279 0.101 50 40 CCGB COc1cccc(/C=N/NC(=O)CC(=O)NC(C)C)c1O 3057844 CJLWMWZUQINQSM-OVCLIPMQSA-N 293.323 0.766 50 40 CCGB CC(=O)OC[C@@]12CC[C@@H](O1)[C@H]1C(=O)OC(=O)[C@]12C 103115464 HWSYCHFKYRCGOS-UFGYURQFSA-N 254.238 0.187 50 40 CCGB O=C(N/N=C/c1ccccn1)C(=O)NC1CCCC1 59516092 VGJNIVOCEYXSFX-OQLLNIDSSA-N 260.297 0.591 50 40 CCGB NNC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1299629 IWYSQUYOMXBTFC-UHFFFAOYSA-N 259.265 0.257 50 40 CCGB CCOc1ccc(/C=C/C(=O)NNC(N)=S)cc1 62714627 BFLQQDGDHNNMAS-VMPITWQZSA-N 265.338 0.963 50 40 CCGB N/C(CSS(=O)(=O)O)=N\CCc1ccc(O)cc1 31723274 LFTNKGIWXIEXPY-UHFFFAOYSA-N 290.366 0.828 50 40 CCGB O=C(NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)c1ccccc1 100396549 QKIGTUSXHUQJLH-OVZMXSCWSA-N 299.282 0.440 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1 32869151 PMGIDHIHGXSSBO-UHFFFAOYSA-N 299.308 0.499 50 40 CCGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccoc1 12749796 BCPYNNITTXCSGV-UHFFFAOYSA-N 298.258 0.591 50 40 CCGB CNC(=S)NNC(=O)[C@H](C)Oc1ccc(C)cc1 6845640 VZUGCUZSMHONQL-VIFPVBQESA-N 267.354 0.887 50 40 CCGB CCOC(=O)[C@H]1C=C(C#N)O[C@@H]2[C@@H]1C(=O)N(C)C(=O)N2C 4265230 FQMMAYXEHSLUPZ-ATZCPNFKSA-N 293.279 0.069 50 40 CCGB C=CCNC(=S)NNC(=O)c1ccccc1CO 4615059 OMZFBCJVDPUQRA-UHFFFAOYSA-N 265.338 0.474 50 40 CCGB Cn1ncc2c(NNC(=O)[C@H](O)c3ccccc3)ncnc21 5346039 WBWYMTRHXXXFFL-LLVKDONJSA-N 298.306 0.540 50 40 CCGB O=C(N/N=C/c1cccnc1)C(=O)N1CCCCC1 4679581 BCAWHVZUTRKHSX-XNTDXEJSSA-N 260.297 0.544 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)NN=C1CCCC1 59434334 WETFFRASYQVRON-JTQLQIEISA-N 253.302 0.328 50 40 CCGB NNC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 45928466 SRKYZZVKSRLQIU-UHFFFAOYSA-N 251.673 0.645 50 40 CCGB C/C(=N/NC(N)=O)c1cccc(/C(C)=N/NC(N)=O)c1 13404027 PVMQKKRABQFLJH-BSHIDLADSA-N 276.300 0.471 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1cccs1 5511633 IUNWCYOJXYTMOI-MDWZMJQESA-N 269.326 0.351 50 40 CCGB Cc1cc(OCC(=O)NNC(N)=S)ccc1Cl 9286934 ITCVYKNJZQKWIP-UHFFFAOYSA-N 273.745 0.892 50 40 CCGB NC(=S)NNC(=O)c1ccccc1Br 13633611 AVIXODBUAPALQJ-UHFFFAOYSA-N 274.143 0.927 50 40 CCGB O=C(N/N=C\c1ccco1)C(=O)N/N=C/c1ccco1 4726415 DBUJHALECBISBY-MFUUIURDSA-N 274.236 0.473 50 40 CCGB O=C(N/N=C/c1ccccn1)C(=O)N1CCCCC1 59516122 ZVUDBQUWVHDTDW-XNTDXEJSSA-N 260.297 0.544 50 40 CCGB CNC(=O)COc1ccc(O)c(C(=O)CCl)c1 16741435 YTBXHGGXJHELOI-UHFFFAOYSA-N 257.673 0.939 50 40 CCGB CCOC(=O)CN/C(SC)=C(/C#N)C(=O)OC 239562950 MWUYCZKNVCZNCD-UHFFFAOYSA-N 258.299 0.410 50 40 CCGB Cc1cnn(CC(=O)N/N=C/c2c(C)nn(C)c2F)c1 252485288 GQFMLTJNMATXMZ-LHHJGKSTSA-N 278.291 0.523 50 40 CCGB CC1=C[C@]2(C)[C@H]3C(=O)OC(=O)[C@H]3[C@@H]1[C@H]1C(=O)OC(=O)[C@H]12 239426008 VPEBWHJXHKKKRE-JQSFDCKRSA-N 276.244 0.214 50 40 CCGB COCc1ccccc1C(=O)NNC(=O)c1cnccn1 44913315 BOKPPTPXALMKAH-UHFFFAOYSA-N 286.291 0.698 50 40 CCGB NNC(=O)c1cc([N+](=O)[O-])ccc1Br 199752881 JPQRASJKQYCDGR-UHFFFAOYSA-N 260.047 0.961 50 40 CCGB CC(C)C(=O)NC(=S)NNC(=O)c1ccncc1 5976870 JYFRODSNTNNQMS-UHFFFAOYSA-N 266.326 0.373 50 40 CCGB CC(C)(C)OC(=O)Nc1ccc(F)cc1B(O)O 205044674 NWDCHYPBUDAWTN-UHFFFAOYSA-N 255.054 0.853 50 40 CCGB CCC(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 2064441 KKYUAIDAVPPZNW-UHFFFAOYSA-N 296.308 0.640 50 40 CCGB C[C@@H](O)CCC(=O)N/N=C1\C(=O)Nc2ccccc21 338070 RUUYQXUHAWYSFX-MRVPVSSYSA-N 261.281 0.620 50 40 CCGB C[C@@H](NC(=O)CCl)c1ccc(S(N)(=O)=O)cc1 12504867 GOWUFDVJHORVNU-SSDOTTSWSA-N 276.745 0.750 50 40 CCGB O=C(NN[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 5898106 LTNJHKSTPIDFJM-MRVPVSSYSA-N 299.308 0.016 50 40 CCGB O=C(NCc1ccccn1)C(=O)N/N=C/c1cccs1 4116071 YYHZTYBCWLPEQC-CXUHLZMHSA-N 288.332 0.910 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccs1 3082856 BOGPBZDVHHTDLK-MBBDXHFBSA-N 281.337 0.493 50 40 CCGB O=C(NNC(=S)NC(=O)c1ccco1)c1cccnc1 2316597 QMHHCYBYFMRNBD-UHFFFAOYSA-N 290.304 0.624 50 40 CCGB CN(c1ccc2sc(C(=O)NN)cc2c1)S(C)(=O)=O 223469794 MZMKDHJWSYMXDP-UHFFFAOYSA-N 299.377 0.901 50 40 CCGB C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(N)=O 16957736 KBIIYBNZZZFXSP-VGOFMYFVSA-N 279.256 0.968 50 40 CCGB Cn1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)n1 69892 YVLYLEDQTQHZEN-IZZDOVSWSA-N 263.213 0.685 50 40 CCGB N#C/C(=C/NCC(=O)O)C(=O)NCc1ccccc1 19339015 NPIGKANRNPXMSI-FLIBITNWSA-N 259.265 0.384 50 40 CCGB COC(=O)C1CCN(C(=O)CBr)CC1 82506129 XJYGQSRTMIHFDV-UHFFFAOYSA-N 264.119 0.793 50 40 CCGB Nc1ncc(/C=N\NC(=O)COc2ccccc2)cn1 30846410 RWZMPYZDXYFXJG-IUXPMGMMSA-N 271.280 0.588 50 40 CCGB O=[P@@]1(N(CCCl)CCCl)NC[C@@H](CO)O1 1557720 PDCGWDGPFIBNOB-ZIDLFYJRSA-N 277.088 0.855 50 40 CCGB CNC(=S)NNC(=O)c1nn(C)c(C)c1Cl 374755 BFWQVSHQNZYANL-UHFFFAOYSA-N 261.738 0.121 50 40 CCGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1O 2265632 YIVLNBVTBVHMAV-VGOFMYFVSA-N 277.280 0.130 50 40 CCGB C[C@@H](Oc1ccc(/C=N/NC(=O)CC#N)cc1)C(=O)O 39557316 VIZRYTHQRZUJRP-KOLYXTFFSA-N 275.264 0.902 50 40 CCGB Cc1cc(C(F)(F)F)nn1Cc1noc(C(=O)NN)n1 36615053 LTCJMPBUVWXXQK-UHFFFAOYSA-N 290.205 0.245 50 40 CCGB CC[C@@H](C)Nc1nc(NC)nc(SCC(=O)NN)n1 1419233 FWOAAHHGLVNEGI-ZCFIWIBFSA-N 285.377 0.206 50 40 CCGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)c1ccccc1 16807527 HGFSOLUXTOLUGK-QMMMGPOBSA-N 293.304 0.189 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 7782543 YHYACAIZXDZKJT-MBBDXHFBSA-N 292.295 0.960 50 40 CCGB CN(C)c1nc(OCCCl)nc(N(C)C#N)n1 2027514 ZJDBSXMIUHXREV-UHFFFAOYSA-N 256.697 0.472 50 40 CCGB O=C1CC[C@@H](N2C(=O)[C@H]3CCCC[C@H]3C2=O)C(=O)O1 104194970 XTMMBQMJJKJFTB-HRDYMLBCSA-N 265.265 0.394 50 40 CCGB Cc1ccc(C(=O)NNc2nnc(C)c(=O)[nH]2)s1 22383366 PKSOUEWZGYCQSH-UHFFFAOYSA-N 265.298 0.600 50 40 CCGB Cn1cc(F)c(=O)n(CCCBr)c1=O 4013395 DJTYCBYASJOQSK-UHFFFAOYSA-N 265.082 0.471 50 40 CCGB COc1cccc(/C=N/NC(=O)[C@@H](C)O)c1OC 59515376 YQQMGILYPCUOKJ-OREIZAMCSA-N 252.270 0.535 50 40 CCGB O=C(O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 103092763 UIPJPKGVZBWUTQ-OZHUNRTBSA-N 292.118 0.537 50 40 CCGB O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccncc1 12877395 FIJQVTUHRLPMGP-CYBMUJFWSA-N 283.287 0.846 50 40 CCGB CC(=O)OC[C@]12CC[C@H](O1)[C@H]1C(=O)OC(=O)[C@@]12C 8445505 HWSYCHFKYRCGOS-MMSPYSMKSA-N 254.238 0.187 50 40 CCGB COC(=O)NNS(=O)(=O)c1ccccc1Cl 16129825 QJLZQCGHNSXTIB-UHFFFAOYSA-N 264.690 0.889 50 40 CCGB COc1ccc(B(O)O)c(OCc2ccccc2)c1 196064575 MWWSWTBVVWOEHV-UHFFFAOYSA-N 258.082 0.954 50 40 CCGB CCCCC[C@@]1(/C=N\NC(N)=O)NC(=O)N(C)C1=O 17324195 ZJRDNPLJJKAVLL-HKMIMPICSA-N 269.305 0.141 50 40 CCGB O=C1Nc2ccccc2/C1=N\NC(=O)c1ccn[nH]1 12341074 XKXPDSCXVFIFOK-UHFFFAOYSA-N 255.237 0.496 50 40 CCGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1 59515474 KLHRNQQZNVUJDE-VCHYOVAHSA-N 282.303 0.848 50 40 CCGB COCCNC(=O)/C(C#N)=C1\C(=O)Nc2ccccc21 49545371 NFYHIVYEOXALCI-BENRWUELSA-N 271.276 0.678 50 40 CCGB C/C(=N/NC(=O)CNC(=O)c1ccncc1)c1ccco1 4805404 BAUVJARWMKTTTN-YVLHZVERSA-N 286.291 0.945 50 40 CCGB NNC(=O)c1ccc(C(=O)c2ccc(C(=O)NN)cc2)cc1 204342172 UZFTWTAKMFRRPB-UHFFFAOYSA-N 298.302 0.125 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1cccs1 3062103 QOXWOBGIJGXGLN-MDWZMJQESA-N 251.311 0.891 50 40 CCGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1ccco1 12775858 XILFTUDXHREIJK-UHFFFAOYSA-N 284.297 0.243 50 40 CCGB O=C(CCCO)N/N=C/c1n[nH]nc1-c1ccccc1 4650348 PYVWXOVFEALVPX-NTEUORMPSA-N 273.296 0.694 50 40 CCGB CCOC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 217388741 PRFLIGSRXHZESE-MRVPVSSYSA-N 250.320 0.109 50 40 CCGB CCn1c(=O)[nH]c(=O)c2c1nc([C@H](C)Cl)n2C 96517615 KTHAZHWCKKPFNW-YFKPBYRVSA-N 256.693 0.743 50 40 CCGB N#CC1(C#N)CC(C=O)=C(N)[C@]1(C#N)[C@H]1CCCC1=O 4816318 HRXSQHMZLMOHHZ-HZMBPMFUSA-N 268.276 0.715 50 40 CCGB CC(C)Oc1ncc(Br)cc1B(O)O 642814493 JPTYGTGGOGLVSF-UHFFFAOYSA-N 259.896 0.311 50 40 CCGB CCC(CC)=NNC(=O)N[C@@H]1CCS(=O)(=O)C1 63421591 NUYULLDPAJXLGJ-SECBINFHSA-N 261.347 0.649 50 40 CCGB COC(=O)C12C3C4C1C1C2C3C41C(=O)CBr 329780312 ATUHPXAOEFATHB-UHFFFAOYSA-N 283.121 0.861 50 40 CCGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1nc[nH]n1 35188424 WKHCYQJTAMOXOJ-XGICHPGQSA-N 260.213 0.477 50 40 CCGB OC[C@@H](O)COC[C@@H](Br)C(F)(F)F 1083807908 APRUHIYCRHKHRM-RFZPGFLSSA-N 267.041 0.682 50 40 CCGB O=C(Cc1noc2ccccc12)NNC(=O)c1cnccn1 11531261 NITBXOCREDJCHD-UHFFFAOYSA-N 297.274 0.622 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59515395 DOZQYFRDINJAJR-OVCLIPMQSA-N 292.295 0.817 50 40 CCGB COc1ccc(C(=O)NNc2nnc(C)c(O)n2)cc1 22854078 MMCOWQJCAVVBAW-UHFFFAOYSA-N 275.268 0.651 50 40 CCGB COCC(=O)N/N=C1/C(=O)Nc2ccc(OC)cc21 59472623 OLEWYDKGMSWARG-UHFFFAOYSA-N 263.253 0.114 50 40 CCGB Clc1cccc([Si]23OCCN(CCO2)CCO3)c1 195774714 ZVTSTPWMPMJSEE-UHFFFAOYSA-N 285.803 0.865 50 40 CCGB CCNC(=S)NNC(=O)c1c(Cl)c(C)nn1C 8684234 QZNJOKRGYVUTGS-UHFFFAOYSA-N 275.765 0.511 50 40 CCGB COc1ccc([C@@H]2Nc3ncnn3C(N)=C2C#N)cc1O 18199354 ZXTYXYJAHUAVLB-NSHDSACASA-N 284.279 0.810 50 40 CCGB Cc1ccc(-c2nnc(CC(=O)NN)o2)cc1F 67341907 OOKHFVLVDPKBSO-UHFFFAOYSA-N 250.233 0.717 50 40 CCGB COc1c(Br)ccc(B(O)O)c1Cl 238336913 ZJBKJNNGVZBCJO-UHFFFAOYSA-N 265.299 0.791 50 40 CCGB Cc1cc(C(=O)N/N=C/c2c(C)nn(C)c2F)no1 252496286 PFSXVTJDMDOGAZ-WLRTZDKTSA-N 265.248 0.928 50 40 CCGB COc1cc(/C=N/NC(N)=O)c(O)c([N+](=O)[O-])c1 8206437 YTUQZDJPIGKBDG-NYYWCZLTSA-N 254.202 0.311 50 40 CCGB CC(=O)N1CCC2(CC1)C(C#N)=C(N)Nc1oc(C)nc12 125619 FKKHBHHORKXUAJ-UHFFFAOYSA-N 287.323 0.983 50 40 CCGB Cc1nn(C[C@@H](C)C(=O)NN)c(C)c1Br 2732096 PRTMNMMVFCWZAW-RXMQYKEDSA-N 275.150 0.888 50 40 CCGB Cc1ccc(C(=O)NNC(=O)CCCNC(N)=O)cc1 9282911 JQAKFAWZDQMINI-UHFFFAOYSA-N 278.312 0.205 50 40 CCGB O=C1CC[C@H](N[C@@H]2OC(=O)c3ccccc32)C(=O)O1 104209010 NNJDQBBPQOZMKB-GXSJLCMTSA-N 261.233 0.677 50 40 CCGB CN(C)c1nc(N)nc(/C(C#N)=C\c2cccnc2)n1 48332145 BZBCZYGUIXDVDN-POHAHGRESA-N 267.296 0.979 50 40 CCGB O=C(O)/C=C/C(=O)NNc1ncnc2ccccc12 3423853 HKYDVQRZLWDSMH-AATRIKPKSA-N 258.237 0.714 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1cc(Cl)ccc1O 27534320 HQORKEUHHYPVFI-OVCLIPMQSA-N 297.742 0.828 50 40 CCGB CCn1c(=O)[nH]c(=O)c2c1nc([C@@H](C)Cl)n2C 96517614 KTHAZHWCKKPFNW-RXMQYKEDSA-N 256.693 0.743 50 40 CCGB CCOC(=O)N/N=C(\CCC(=O)OC)C(=O)OC 16682917 PTESZKLRDZZCBW-YRNVUSSQSA-N 260.246 0.215 50 40 CCGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cnccn1 11529284 KEKLABYVEVZINH-UHFFFAOYSA-N 295.302 0.962 50 40 CCGB Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cn1 21791277 VDMQQIUHUBZDIR-JXDHDYMSSA-N 260.297 0.622 50 40 CCGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccccn1 100151629 JQKCAXXSWQWBBD-FBWGLTFQSA-N 259.269 0.044 50 40 CCGB Cc1nnc2n(c1=O)[C@H](CBr)CS2 23118599 VZGQPTGYVZUQND-RXMQYKEDSA-N 262.132 0.988 50 40 CCGB N#CC1=C(N)Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 1307276 ILMNKHFLKVJZPA-JTQLQIEISA-N 283.251 0.895 50 40 CCGB CN1CCN(C(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)CC1 17117875 OETQQIZSRQMWBP-OWBHPGMISA-N 296.330 0.690 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccc(OC)cc1OC 59503412 RFRUUUPIEZRIOI-CXUHLZMHSA-N 293.323 0.680 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=S)NC2CC2)n1 2788155 YVUHQIXZPIWEKD-UHFFFAOYSA-N 267.358 0.158 50 40 CCGB COC(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 6637573 SGBFUKZTBIYPEM-UHFFFAOYSA-N 264.197 0.607 50 40 CCGB NS(=O)(=O)c1cccc(C(=O)CBr)c1 34592593 IIIFOFIOMUINIL-UHFFFAOYSA-N 278.127 0.912 50 40 CCGB COC(=O)CCCN1C[C@H]2C=C(C#N)[C@H]1[C@@H](C(=O)OC)C2 104097361 YZVSUXLHDOLPGE-JKOKRWQUSA-N 292.335 0.883 50 40 CCGB C#CCN1CCC(C(=O)NNC(=O)c2ccccn2)CC1 44980065 AMQICOXUVXNPLY-UHFFFAOYSA-N 286.335 0.188 50 40 CCGB COC(=O)NNC(=O)Nc1ccccc1[N+](=O)[O-] 12756984 MKOOXORDHKIVTN-UHFFFAOYSA-N 254.202 0.987 50 40 CCGB NNC(=O)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 24494543 ZMFKFUDAMTVBCG-JTQLQIEISA-N 268.361 0.731 50 40 CCGB Nc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575422636 VRAFDYXKHNXVPF-QWRGUYRKSA-N 274.773 0.763 50 40 CCGB O=[P@@]1(N(CCCl)CCCl)NC[C@H](CO)O1 1557722 PDCGWDGPFIBNOB-MLXNANBUSA-N 277.088 0.855 50 40 CCGB COC(=O)C1=C[C@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 100818404 RLOCDRQSSNUEDF-WILIQFCCSA-N 260.245 0.463 50 40 CCGB CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9575337 UXDZSWGSDWXXLZ-JGVFFNPUSA-N 253.751 0.697 50 40 CCGB CCCS(=O)(=O)[C@H](C)C(=O)NNC(=O)OC(C)(C)C 95369474 FWJICRVDZJOSJK-MRVPVSSYSA-N 294.373 0.756 50 40 CCGB CCOc1cc(/C=N/NC(=O)c2nonc2N)ccc1O 109108 YOPRCCMXJWNDFP-MKMNVTDBSA-N 291.267 0.520 50 40 CCGB COC(=O)CCC(=O)NNC(=O)c1ccccc1 2053411 XBXWQGSCTZEEPW-UHFFFAOYSA-N 250.254 0.401 50 40 CCGB Cn1cccc1C=NNC(=O)Cn1nnc2ccccc21 13633149 GDNZQKFPNHKEGJ-UHFFFAOYSA-N 282.307 0.920 50 40 CCGB CC(=O)NNC(=S)Nc1ccc2c(c1)OCO2 6317944 PXZQRWLUBSIKTD-UHFFFAOYSA-N 253.283 0.753 50 40 CCGB COc1ccc(O)c(/C=N/NC(=O)c2nonc2C)c1 257943 YVQFFFJMUIXINW-AWNIVKPZSA-N 276.252 0.856 50 40 CCGB CC(C)[C@H](C(=O)NN)N1CCN(c2ccc(F)cc2)CC1 22539167 BFSCCWYUKUESNZ-CQSZACIVSA-N 294.374 0.962 50 40 CCGB O=C(Cc1cccc(O)c1)NNC(=O)c1ccccn1 63535160 WETMJXOIOUZGMX-UHFFFAOYSA-N 271.276 0.791 50 40 CCGB CNC(=O)[C@@H]1CCN(C(=O)[C@H](C)Br)C1 242473216 FCPPDCPZFYMZIL-NKWVEPMBSA-N 263.135 0.364 50 40 CCGB O=C1NC(=O)C2(C[C@@H]3CCC[C@@H](C2)N3CCCl)N1 1585998 DOQJTPJTPJIQJJ-IUCAKERBSA-N 271.748 0.820 50 40 CCGB CCCCS(=O)(=O)Nc1ccccc1C(=O)NN 1666432 XKKBWBZPYRUCCN-UHFFFAOYSA-N 271.342 0.832 50 40 CCGB CC(=O)NNC(=S)NC(=O)c1ccc(C)cc1 2064449 VVJNXARBXQWUDH-UHFFFAOYSA-N 251.311 0.650 50 40 CCGB CCN(CC(=O)NN)S(=O)(=O)c1ccc(Cl)cc1 6891293 XZZZDNGHAWBCES-UHFFFAOYSA-N 291.760 0.341 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccc([N+](=O)[O-])cc1 59246358 UCQUMOSMJYVXOJ-NTEUORMPSA-N 292.295 0.377 50 40 CCGB CCNC(=S)NNC(=O)CCn1cc(C)cn1 8684218 DDSBMKFVHVAJIR-UHFFFAOYSA-N 255.347 0.097 50 40 CCGB N#CC1(C#N)CC(C=O)=C(N)[C@@]1(C#N)[C@@H]1CCCC1=O 4816316 HRXSQHMZLMOHHZ-QMTHXVAHSA-N 268.276 0.715 50 40 CCGB O=C(CN1CCCCC1)N/N=C1\C(=O)Nc2ccccc21 4714637 XJZFPWPFBUFIIM-UHFFFAOYSA-N 286.335 0.945 50 40 CCGB COC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 12820979 OKRCEHABNAZIOX-UHFFFAOYSA-N 254.202 0.987 50 40 CCGB CCCn1c(=O)c(C(=O)NN)c(O)c2ccccc21 100498542 KZYDFPNQJHNIQU-UHFFFAOYSA-N 261.281 0.721 50 40 CCGB NC(=O)C(=O)N/N=C/c1cccc(C(F)(F)F)c1 3254565 VWDWHSBANWPALM-PJQLUOCWSA-N 259.187 0.641 50 40 CCGB COc1ccc(CCC(=O)NN)c(OC)c1OC 30834318 XQMYZCIAXPPESU-UHFFFAOYSA-N 254.286 0.635 50 40 CCGB NNC(=O)c1cc2c(N3CCOCC3)ncnc2s1 223454254 ZSBVWZHDYNPKNP-UHFFFAOYSA-N 279.325 0.131 50 40 CCGB Cc1ccc(S(=O)(=O)NCCC(=O)NN(C)C)cc1 8033175 CTQFVOTZQIFLSL-UHFFFAOYSA-N 285.369 0.256 50 40 CCGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccco1 409376782 CWLHBKYGDVVPSK-MPKXCIJOSA-N 290.275 0.564 50 40 CCGB COC(=O)COc1ccc(/C=N/NC(C)=O)cc1 175432 PNQIZMRGTARKCT-NTUHNPAUSA-N 250.254 0.708 50 40 CCGB Cc1cc(B(O)O)cnc1N(C)C(=O)c1ccccc1 1857791192 GQPKXFCXPPHXQJ-UHFFFAOYSA-N 270.097 0.346 50 40 CCGB NC(=O)CSc1nnc(NC(=O)CCl)s1 20157008 USQYYMIEVFGWHO-UHFFFAOYSA-N 266.735 0.293 50 40 CCGB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)CCl)C1 4731354 IZUQCDFAYZCLQS-QJPTWQEYSA-N 282.771 0.867 50 40 CCGB COc1ccccc1C(=O)NNc1nnc(C)c(=O)[nH]1 7424208 VMBOJZXOSDYNEJ-UHFFFAOYSA-N 275.268 0.239 50 40 CCGB O=C(Cn1cncn1)N/N=C/c1cccc([N+](=O)[O-])c1 547512 MDFCVYOHLIJOJZ-WLRTZDKTSA-N 274.240 0.337 50 40 CCGB CCOC(=O)c1cn(C(=O)/C(C#N)=C/N(C)C)nc1C 1394489 ILWGNFDXOFCIRU-JXMROGBWSA-N 276.296 0.978 50 40 CCGB Cc1nnc2sc(NC(=O)CCl)nn2c1=O 38700823 PFHHTRCWSANCSY-UHFFFAOYSA-N 259.678 0.032 50 40 CCGB CC1=C[C@H]2[C@H]3C(=O)OC(=O)[C@@H]3[C@H]1[C@H]1[C@H]3C(=O)OC(=O)[C@@H]3[C@@H]21 100039885 KLCJBGADIXBIIG-CYONDNRQSA-N 288.255 0.070 50 40 CCGB CCc1ccc(C(=O)NNC(=O)c2nccnc2N)cc1 11503202 ZONWCYVLTHRXMI-UHFFFAOYSA-N 285.307 0.696 50 40 CCGB CC1(C)O[C@H]2[C@H](O[C@@H]([C@@H]3CO[S@@](=O)O3)[C@H]2Cl)O1 5553401 QPZSWIPHRFNRLI-FCIMSVIZSA-N 284.717 0.464 50 40 CCGB O=S1(=O)C[C@@H](Cl)[C@H](/N=C/c2ccncc2)C1 5906222 AAAMVMWHAHJLTN-QSUZGKKNSA-N 258.730 0.905 50 40 CCGB COc1ccc(/C=N\NC(N)=O)c(OC)c1OC 17122109 SBBBMUGGYKGSIB-MLPAPPSSSA-N 253.258 0.715 50 40 CCGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccs1 100151607 GZZFGEHRFLLXSE-DAVUEJTQSA-N 264.310 0.710 50 40 CCGB COC(=O)CN1C(=O)/C(=N/NC(=O)OC)c2ccccc21 100806311 KGYZODQAZOQJSA-SDNWHVSQSA-N 291.263 0.266 50 40 CCGB N#CC1=C(N)n2ncnc2N[C@@H]1c1ccc(C(=O)O)cc1 18199231 ZXDNXHFVRFYHGU-SNVBAGLBSA-N 282.263 0.794 50 40 CCGB CCOC(=O)N1CC[C@H](Br)[C@@H](O)C1 136315571 GLWZIDOUIYYEFY-BQBZGAKWSA-N 252.108 0.973 50 40 CCGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccccc1O 1477034 RLEBYEOGRBSQPI-NTUHNPAUSA-N 260.253 0.514 50 40 CCGB IC[C@@H]1COC[N+]12CCOCC2 86334 BNFZQAKFKUMLFP-MRVPVSSYSA-N 284.117 0.625 50 40 CCGB Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)[nH]1 7604865 XHYCTMYZZIOYCN-UHFFFAOYSA-N 291.336 0.666 50 40 CCGB O=C(CCl)NNC(=O)c1ccc([N+](=O)[O-])cc1 3157080 XMXPKWWBXQQICE-UHFFFAOYSA-N 257.633 0.595 50 40 CCGB O=C(Cc1ccc(F)cc1)NNC(=O)c1cnns1 47816648 XWTFTZRJTQJPFB-UHFFFAOYSA-N 280.284 0.681 50 40 CCGB O=C(NNC(=O)C1CC1)c1cc(=O)[nH]c2ccccc12 16050657 PVFNWERAENYRIB-UHFFFAOYSA-N 271.276 0.699 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccccc1F 9316142 HLTDNFCYRCIQGX-UHFFFAOYSA-N 260.290 0.791 50 40 CCGB Cc1cc(C(=O)NNC(=O)c2cccc[n+]2[O-])c(C)o1 60759972 ZUOLNTHMZPSBNO-UHFFFAOYSA-N 275.264 0.605 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccc(OC)cc1 3009131 MRPKLLSUWDZGKG-OQLLNIDSSA-N 263.297 0.672 50 40 CCGB CCOc1ccccc1/C=N/NC(=O)C(=O)NCCOC 7812010 LREDKWFBIKOOQC-MHWRWJLKSA-N 293.323 0.298 50 40 CCGB COc1ccc(C(=O)NNC(=O)CCl)cc1OC 4218988 SEORVCFNYWQMSR-UHFFFAOYSA-N 272.688 0.704 50 40 CCGB CC(=O)Nc1ccc(F)c(C(=O)NN(C)C(N)=O)c1 95456395 KGAKCNBKLDVXSF-UHFFFAOYSA-N 268.248 0.439 50 40 CCGB COC(=O)/C(=N/NC(N)=O)[C@H](C#N)c1ccccc1 17197168 WKOMURDLCQWVJI-BNXJGPFFSA-N 260.253 0.491 50 40 CCGB Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCl 37011949 QTAGIXPSSLCDJA-UHFFFAOYSA-N 262.718 0.820 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1cccc(OC)c1 3088336 VYUQATZJORXGEB-MHWRWJLKSA-N 293.323 0.298 50 40 CCGB CNC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1 72314625 ZWPIMOABEUERHM-POHAHGRESA-N 260.249 0.588 50 40 CCGB CCC[C@@H]1C/C(=N/NC(N)=O)[C@@H](NNC(N)=O)[C@H](C)C1 35572497 MURNLHPXXRPLPI-UJXZJCAJSA-N 284.364 0.398 50 40 CCGB CS(=O)(=O)c1ccc(CNC(=O)CCl)cc1 44318313 XWKKDTVGBFSBMU-UHFFFAOYSA-N 261.730 0.945 50 40 CCGB in-vitro C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1O 5361681 HUXVQRBLMHXFIA-OVCLIPMQSA-N 277.280 0.153 50 40 CCGB O=C1C=C(NCCCl)C(=O)C=C1NCCCl 100373230 ILTIYUJVMJJAQT-UHFFFAOYSA-N 263.124 0.563 50 40 CCGB Cc1occc1C(=O)NNC(=O)CCCC(=O)O 2784210 NPIHYZWBPGVEEW-UHFFFAOYSA-N 254.242 0.604 50 40 CCGB CCCCOc1ccc(NC(=O)C(=O)NN)cc1 9233415 FDGUHTYYQXZIGB-UHFFFAOYSA-N 251.286 0.794 50 40 CCGB CC(C)(/C=N/NC(=O)CN1CCOCC1)CCC#N 408719280 BENGLCVQDGILAR-RVDMUPIBSA-N 266.345 0.751 50 40 CCGB COc1ccc2[nH]c(=O)c(/C=C(\C#N)C(N)=O)cc2c1 34715093 HEYXBHWDOAEWLR-BJMVGYQFSA-N 269.260 0.929 50 40 CCGB COC(=O)C/C(=N\NC(=O)c1ccccc1)C(=O)OC 5329484 GXKLFYMLSUVTKL-GXDHUFHOSA-N 278.264 0.509 50 40 CCGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 33303399 STWTXRWKXLITHS-XGICHPGQSA-N 260.213 0.477 50 40 CCGB COc1ccc(C/C=N/NC(N)=O)c([N+](=O)[O-])c1 98175594 OCGBIZHEXPZTPH-LFYBBSHMSA-N 252.230 0.800 50 40 CCGB COc1ccc(OCC(=O)NN=C(C)C(=O)O)cc1 253618510 GHKXAJUJLDQCPN-UHFFFAOYSA-N 266.253 0.651 50 40 CCGB CC(C)(C)[C@]1(OCCO)OC(N)=C(C#N)C1=C(C#N)C#N 100240603 PKDRBMIZBUWEDQ-CQSZACIVSA-N 288.307 0.806 50 40 CCGB O=C(Cl)CN1C(=O)c2ccccc2S1(=O)=O 11919920 ZBTADKJXSGIVGA-UHFFFAOYSA-N 259.670 0.597 50 40 CCGB Cc1ccsc1C(=O)NNc1nnc(C)c(=O)[nH]1 22383362 JRLDGTWUJSCDDN-UHFFFAOYSA-N 265.298 0.600 50 40 CCGB O=C1C=C2CCC3=CC(=O)N(SSN1C2=O)C3=O 34486836 WIJMUJWBVWAPFR-UHFFFAOYSA-N 282.302 0.582 50 40 CCGB NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 95939952 HQDLXXSZGQHORI-UHFFFAOYSA-N 282.775 0.448 50 40 CCGB CCC(=O)NNC(=O)CCC(=O)Nc1ccccc1 5006427 BRELXRICEKWVTC-UHFFFAOYSA-N 263.297 0.963 50 40 CCGB CCOC(=O)/C(C#N)=C/NNC(=O)c1ccccc1 1730416 RRXQXQWOFODEFW-PKNBQFBNSA-N 259.265 0.892 50 40 CCGB Cc1ccc(C(=O)NNC(=O)CSc2ncn[nH]2)cc1 11340766 XXGSYWJIJSTIJX-UHFFFAOYSA-N 291.336 0.666 50 40 CCGB COc1ccc2occ(/C=N/NC(N)=O)c(=O)c2c1 546852 QYJCARBLUOAXAP-LHHJGKSTSA-N 261.237 0.804 50 40 CCGB CC(C)COC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167640 RJFATVAALMAMAX-HTQZYQBOSA-N 285.818 0.938 50 40 CCGB CCOC(=O)[C@H]1COC[C@@H](Br)C1=O 95836304 DNSOUEIDBRVJAZ-NTSWFWBYSA-N 251.076 0.529 50 40 CCGB C=CCNC(=S)NNC(=O)c1c(Cl)cnn1C 2781132 YTIDNOXIMHNNAY-UHFFFAOYSA-N 273.749 0.368 50 40 CCGB CC(C)(C)OC(=O)Nc1cccc(F)c1B(O)O 306784021 RSHGQNJIJXIXSJ-UHFFFAOYSA-N 255.054 0.853 50 40 CCGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)O 13747055 LDXZNCISVOUHSI-WLRTZDKTSA-N 267.241 0.161 50 40 CCGB O=C1NC(=O)[C@@H](CCI)N1 5501723 NGOWHINSDAINDM-GSVOUGTGSA-N 254.027 0.020 50 40 CCGB CCOc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1 3059941 OMEHJVABGGIIJJ-MHWRWJLKSA-N 293.323 0.298 50 40 CCGB COc1cccc(C(=O)N/N=C(\N)c2cnccn2)c1 40216528 IHVFRISLTSGISY-UHFFFAOYSA-N 271.280 0.536 50 40 CCGB CC1(C)O[C@@H]2[C@@H](CBr)OC(=O)[C@@H]2O1 3956786 ZSWDFLIWNDCXNU-HSUXUTPPSA-N 251.076 0.827 50 40 CCGB in-vitro CN(C)c1nc(N(C)C)nc(N2C[C@@H](CCl)OC2=N)n1 3900176 PAVUDQKUDGDKGP-SSDOTTSWSA-N 299.766 0.382 50 40 CCGB O=C=NCCCC[C@H](N=C=O)C(=O)OCCN=C=O 103735202 GNDOBZLRZOCGAS-JTQLQIEISA-N 267.241 0.076 50 40 CCGB CCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100551199 MRXPBQFQFBIXQF-UHFFFAOYSA-N 289.291 0.415 50 40 CCGB Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cn1 21791273 VDMQQIUHUBZDIR-JVOXIWMLSA-N 260.297 0.622 50 40 CCGB O=C(O)/C=C\C(=O)NNC(=O)c1cc2ccccc2o1 107031333 QZSGXWGZEHLUQA-WAYWQWQTSA-N 274.232 0.835 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(N(C)C)cc1 59515334 JXOMNCXZPXWHFH-GZTJUZNOSA-N 288.351 0.895 50 40 CCGB CCCCn1nc(C(=O)NN)c2ccccc2c1=O 3249582 CQAUKYRXLRBHDA-UHFFFAOYSA-N 260.297 0.800 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1ccc(OC)cc1 6316488 BIAOBJCTAFQQTI-UHFFFAOYSA-N 274.298 0.635 50 40 CCGB CC(C)(C)OC(=O)N1CCc2cc(B(O)O)ccc2C1 170031096 YRZFASFEBKAGEC-UHFFFAOYSA-N 277.129 0.660 50 40 CCGB O=C(NCCCN1CCOCC1)C(Cl)Cl 97954383 XASZGLNTQMKKEX-UHFFFAOYSA-N 255.145 0.629 50 40 CCGB CNC(=S)NNC(=O)Cn1cnc(Cl)c1Cl 2150182 GLUGJLLOZZSAFC-UHFFFAOYSA-N 282.156 0.315 50 40 CCGB CC1(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)OCCO1 443782 DLMLCMLLVLMDAB-OQLLNIDSSA-N 292.291 0.988 50 40 CCGB CCn1c(SCC(=O)NN)nnc1-c1cc(C)n(C)n1 2521375 NSTOQHIXHCAPHC-UHFFFAOYSA-N 295.372 0.089 50 40 CCGB Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)[nH]n1 257638 KQJJTMDNBTYDLK-VZUCSPMQSA-N 263.213 0.983 50 40 CCGB CC[C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9575429 LPTMDSYLRLZOTE-GJMOJQLCSA-N 253.751 0.553 50 40 CCGB COC(=O)CCC(=O)NNC(=O)c1cccc(C)c1 3183445 IDLILSGWZNMYFD-UHFFFAOYSA-N 264.281 0.709 50 40 CCGB COc1ccccc1NCC(=O)N/N=C1/CCCN1 3306234 JIWLEKLXZOBRMY-UHFFFAOYSA-N 262.313 0.920 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3009115 IPZCCYFIPCLVQY-RIYZIHGNSA-N 278.268 0.571 50 40 CCGB NNC(=O)C(=O)Nc1ccc(Br)cc1 2787074 HWKKKRQIXQXFAM-UHFFFAOYSA-N 258.075 0.378 50 40 CCGB NNC(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 17750110 BODJGEZOICZQSL-ASZHBFLOSA-N 276.344 0.349 50 40 CCGB Cc1ccc(C(=O)NNS(=O)(=O)c2cn[nH]c2)cc1 48961643 PPVNJCVEUOCXCB-UHFFFAOYSA-N 280.309 0.341 50 40 CCGB CCCn1c(N)c(C(=O)[C@@H](C)Cl)c(=O)n(C)c1=O 3887012 AXLIAEFKTSQYQP-ZCFIWIBFSA-N 273.720 0.349 50 40 CCGB CCOC(=O)CN1C(=O)/C(=C(\C#N)C(N)=O)c2ccccc21 409386941 HUABTSLZMSVMCF-JLHYYAGUSA-N 299.286 0.359 50 40 CCGB CNC(=S)NNC(=O)[C@H](C)Oc1cccc(C)c1 6860521 VXAAPADRVVNMFU-VIFPVBQESA-N 267.354 0.887 50 40 CCGB CCn1ncc(/C=N/NC(=O)c2cc[nH]n2)c1F 225390136 NXARRLLLGORGMI-WLRTZDKTSA-N 250.237 0.529 50 40 CCGB O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1ccco1 102192506 AEMZZVXFXNECQK-UUTMEEIUSA-N 292.291 0.788 50 40 CCGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccccc1 16215198 QNZWQKFMADNFOT-LLVKDONJSA-N 279.365 0.975 50 40 CCGB IC[C@H]1COC[N+]12CCOCC2 86335 BNFZQAKFKUMLFP-QMMMGPOBSA-N 284.117 0.625 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1cc(F)cc(F)c1 10109422 DLWZSNCCHVWHER-UHFFFAOYSA-N 278.280 0.930 50 40 CCGB C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1cccnc1 35315124 IAXMHICDBRXOPD-MRVPVSSYSA-N 265.269 0.344 50 40 CCGB CC(C)(C)OC(=O)N1CC[C@@]2(C1)NC(=O)OC2=O 1772714696 JHJMNXZRCPHGDA-NSHDSACASA-N 256.258 0.632 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccncc1 5581399 QNWNYRZZYMOQEJ-LZYBPNLTSA-N 272.264 0.441 50 40 CCGB Cn1nc(C(F)(F)F)c(Br)c1C(=O)NN 2549535 TVNKHGNRXTUDDE-UHFFFAOYSA-N 287.039 0.805 50 40 CCGB NC(=O)[C@@H](Cl)CNS(=O)(=O)c1ccc(Cl)cc1 293731 HBDDLQVLPRZVDA-QMMMGPOBSA-N 297.163 0.711 50 40 CCGB O=C(NCCCl)Nc1nc(=O)[nH]cc1Cl 1585759 HVRAXMCFMXCUCV-UHFFFAOYSA-N 251.073 0.784 50 40 CCGB CCOC(=O)NNC(=O)[C@H]1CCCN(c2cnccn2)C1 29760547 WGFHFTLGWVLHGF-JTQLQIEISA-N 293.327 0.470 50 40 CCGB NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CCl 13998638 ZSARETNGPDGQLD-UHFFFAOYSA-N 279.687 0.544 50 40 CCGB COc1cc([C@H]2ON=C(C(=O)NN)[C@H]2C)cc2c1OCO2 12417225 QXPUZEAHWYTNNA-KBUNVGBDSA-N 293.279 0.477 50 40 CCGB NC(=O)N(CCCO)/N=C\c1ccc([N+](=O)[O-])o1 16891356 YRAXXSAIKVEZFO-WDZFZDKYSA-N 256.218 0.285 50 40 CCGB CCSc1ncc(C(=O)NN)c(N2CCCC2)n1 223460429 CJYHVTXSJACRBP-UHFFFAOYSA-N 267.358 0.792 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1 5511615 AFLKANAPKZTSFV-XNTDXEJSSA-N 263.297 0.289 50 40 CCGB Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1Cc1ccccc1 3886293 HFPRBXAROQXYFB-UHFFFAOYSA-N 293.710 0.589 50 40 CCGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NC(N)=O)c1 409238236 MDXMRKCGRYPZTD-UITAMQMPSA-N 275.264 0.806 50 40 CCGB O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 16401316 STWTXRWKXLITHS-UHFFFAOYSA-N 260.213 0.477 50 40 CCGB CCOC(=O)CNC(=O)/C=C/N(CCCl)CCCl 1698605 FLTJYGFVVBIXLH-ZZXKWVIFSA-N 297.182 0.959 50 40 CCGB CSc1ncccc1C(=O)NNC(=O)[C@H]1CCCO1 32259432 YDRXRFSOXVREDY-SECBINFHSA-N 281.337 0.744 50 40 CCGB O=C(CCCO)N/N=C/c1ccccc1[N+](=O)[O-] 2667986 LWCVSEXCZUTKMC-XYOKQWHBSA-N 251.242 0.817 50 40 CCGB CCc1ccc[n+](-c2nc(O)sc2/C=N\NC(N)=O)c1 12733572 WPPACRFFHUZNNA-UHFFFAOYSA-O 292.344 0.690 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1ccc(OC)cc1 3061983 ISYVUPBHYPLXHD-MHWRWJLKSA-N 293.323 0.298 50 40 CCGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1nc2ccccc2n1C 42237033 IZMVWAYGKYECQT-ZJUUUORDSA-N 286.335 0.919 50 40 CCGB O=C(N/N=C/c1ccccc1O)C(=O)NC1CCCC1 59515566 VHFLTSIETRYRIA-OQLLNIDSSA-N 275.308 0.901 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccccc1C(=O)O 567178 ZHACPCXOVPNZPA-OQLLNIDSSA-N 291.307 0.167 50 40 CCGB C[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1nc2ccccc2n1C 42237034 IZMVWAYGKYECQT-UWVGGRQHSA-N 286.335 0.919 50 40 CCGB C/C(=N\NC(=O)CCN1CCN(C)CC1)c1ccccn1 22801456 DTLKPKKWHLVXDB-GHRIWEEISA-N 289.383 0.559 50 40 CCGB O=C(CNC(=O)c1ccncc1)N/N=C/c1ccccn1 3153868 LDZPZQHPRJGQFZ-GIJQJNRQSA-N 283.291 0.357 50 40 CCGB NC(=O)C(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 9885054 WJGNMQDWJZRCHX-OMCISZLKSA-N 275.243 0.151 50 40 CCGB OB(O)c1cc(Br)cnc1C(F)(F)F 238615429 FULMYGCKPLFJKT-UHFFFAOYSA-N 269.813 0.543 50 40 CCGB CC(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 12484011 XTZFHMAITZKOAF-WCIBSUBMSA-N 251.198 0.794 50 40 CCGB CO[C@@H]1[C@@H](O)C[C@@H](C(=O)OCCl)[C@H]2CC[C@@H](O)C[C@H]12 6380359 WQYCZHGVAMMJAK-QUHKTUSISA-N 292.759 0.899 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(C)o1 59488439 CDUNOOCDIPKPOD-RIYZIHGNSA-N 267.285 0.191 50 40 CCGB CC(C)C[C@@H](NC(=O)c1cccs1)C(=O)NN 85400253 URVBBYFACHKFBH-MRVPVSSYSA-N 255.343 0.883 50 40 CCGB CC1(C)[C@]2(C)NC(=O)[C@@]1(C#N)C(C#N)=C(Cl)N2 22173261 PQHLRHKHTSFOFS-WDEREUQCSA-N 250.689 0.946 50 40 CCGB CC(=O)NNC(=O)CN1CC=C(c2ccccc2)CC1 7457212 YQKIUAXUODTMLA-UHFFFAOYSA-N 273.336 0.943 50 40 CCGB CCOc1ccc(C(=O)NNC(=O)/C=C/C(=O)O)cc1 27532622 IJNVXBBUPQPDCZ-BQYQJAHWSA-N 278.264 0.487 50 40 CCGB Cc1nnc2n(c1=O)[C@@H](CBr)CS2 23118601 VZGQPTGYVZUQND-YFKPBYRVSA-N 262.132 0.988 50 40 CCGB O=C(COC(=O)c1cccs1)NNC(=O)c1ccco1 7533593 XAASCPWDQDWQCA-UHFFFAOYSA-N 294.288 0.959 50 40 CCGB CC1=C(C#N)C(=O)NC(=O)/C1=N/Nc1ccccc1C(=O)O 101133175 JTJPGNYAIXBEAG-WOJGMQOQSA-N 298.258 0.649 50 40 CCGB O=C(C[n+]1ccccc1)N/N=C/c1ccccc1O 1754230 PMOWYWQGJRAAAJ-UHFFFAOYSA-O 256.285 0.830 50 40 CCGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 13230336 SFQDVRXDAWALBL-APPZFPTMSA-N 262.313 0.706 50 40 CCGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)n[nH]1 6025199 JDTVYFKBYRGNLP-RKDXNWHRSA-N 294.311 0.370 50 40 CCGB COCCCNc1ccc(C(=O)NN)cc1[N+](=O)[O-] 216939964 OFSSZHQQIQMOLH-UHFFFAOYSA-N 268.273 0.647 50 40 CCGB COc1ccc(OC)c(/C=N/NC(=O)c2n[nH]c(N)n2)c1 6181650 FPEODUPIDUKPQC-MKMNVTDBSA-N 290.283 0.168 50 40 CCGB COc1ccc([C@@H]2C(C#N)=C(N)Nc3ncnn32)cc1 4511202 ADDLRXOXJHYRPU-LLVKDONJSA-N 268.280 0.995 50 40 CCGB NNC(=O)c1ccc(-c2ccc(C(=O)NN)cc2)cc1 2566102 AGHAJPFARLTGQD-UHFFFAOYSA-N 270.292 0.561 50 40 CCGB in-vitro CCN(CC)c1ccc(/C=N/NC(=O)C(N)=O)cc1 2744561 LCTHCWSWQWKECY-OQLLNIDSSA-N 262.313 0.468 50 40 CCGB CCOC(=O)/C(C=C(C#N)C#N)=C1/NCCCN1C 72329882 NHRWVCHEPJLQCJ-QXMHVHEDSA-N 260.297 0.660 50 40 CCGB NC(=S)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 62715364 QWQFRPNPDWCPEK-ZZXKWVIFSA-N 266.282 0.472 50 40 CCGB CCc1cc(C(=O)NNC(=O)/C=C/C(=O)O)cs1 2749629 GQNKHQYCYZPKFO-ONEGZZNKSA-N 268.294 0.712 50 40 CCGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@@H]1c1ccc([N+](=O)[O-])o1 5945279 ALUIUEIQGMRHBF-VIFPVBQESA-N 289.203 0.806 50 40 CCGB CC1=CC2(C)[C@@H]3C(=O)OC(=O)[C@@H]3C1[C@H]1C(=O)OC(=O)[C@H]12 239426009 VPEBWHJXHKKKRE-OFGMDBRRSA-N 276.244 0.214 50 40 CCGB CCS(=O)(=O)C(CCCl)S(=O)(=O)CC 1595569 FPNMLWGXMJQTLW-UHFFFAOYSA-N 262.780 0.811 50 40 CCGB CCC(CC)=NNC(=O)N[C@H]1CCS(=O)(=O)C1 84718229 NUYULLDPAJXLGJ-VIFPVBQESA-N 261.347 0.649 50 40 CCGB CC1(C)OB(c2cccc(C(=O)NN)c2)OC1(C)C 169810278 LZTWONJSXRKQGA-UHFFFAOYSA-N 262.118 0.589 50 40 CCGB COc1ccccc1/C=N/NC(=O)C[C@@H]1C(=O)NN=C1C 100291342 IYIYTRSDIMBJRD-UXYFDLPDSA-N 288.307 0.657 50 40 CCGB C/C(CC(=O)C(F)(F)F)=N\NC(=O)/C(C#N)=C/N(C)C 100919674 ZMOGFZZQCRRGJA-GKQUSARFSA-N 290.245 0.969 50 40 CCGB C/C=C/C(=O)OCC(=O)NNC(=O)c1ccccc1 3389710 ZQWWNIHBFAHDPE-QHHAFSJGSA-N 262.265 0.567 50 40 CCGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)CO)cc2)n1 95465036 DFJALWKEHSRUAN-UHFFFAOYSA-N 288.307 0.242 50 40 CCGB CNC(=O)[C@H]1CCCN(C(=O)[C@H](C)Br)C1 234352298 WFQDZMJJCMQOSA-YUMQZZPRSA-N 277.162 0.754 50 40 CCGB O=S(=O)(O)CCc1cc[n+](C[C@H](O)CCl)cc1 3040205 QKQZGDWOKJILSS-SNVBAGLBSA-O 280.753 0.004 50 40 CCGB CNC(=S)NNC(=O)[C@@H](C)Oc1ccccc1C 6861222 UEQOIKXGVCZYQA-SECBINFHSA-N 267.354 0.887 50 40 CCGB CCOC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 217388810 PRFLIGSRXHZESE-QMMMGPOBSA-N 250.320 0.109 50 40 CCGB CCC(=O)NNC(=O)COCC(=O)NC1CCCCC1 199426328 NKHKVNXUBFXHEY-UHFFFAOYSA-N 285.344 0.009 50 40 CCGB N#C/C(=C\NCC(=O)O)C(=O)NCc1ccccc1 100318750 NPIGKANRNPXMSI-DHZHZOJOSA-N 259.265 0.384 50 40 CCGB CC[C@H](C)OC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575423046 NOLYKJVMWITZEX-RNJXMRFFSA-N 269.750 0.916 50 40 CCGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)O)cc1 6845635 SKLILZDRGKPFKA-JTQLQIEISA-N 294.307 0.775 50 40 CCGB N#Cc1cccc(C(=O)NNC(=O)c2cnns2)c1 95349773 VXWQKZSETREWCA-UHFFFAOYSA-N 273.277 0.485 50 40 CCGB COc1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1OC 31937760 YLKOBROQXYWQSO-DHDCSXOGSA-O 280.348 0.860 50 40 CCGB CC[C@@]1(C)S(=O)(=O)C[C@@H](CCl)S1(=O)=O 1685902 CJYZXZOSIGSEAG-RQJHMYQMSA-N 260.764 0.563 50 40 CCGB O=C(NNC(=O)c1ccccc1O)c1ccc[n+]([O-])c1 21866818 DHJUSGQLHMYZND-UHFFFAOYSA-N 273.248 0.100 50 40 CCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cnc(C)cn1 104543528 VMTYHDXGNWZCAQ-HJWRWDBZSA-N 260.253 0.267 50 40 CCGB COc1ccccc1/C=N\NC(=O)c1nc[nH]c1N 4476609 RGAFLQCXCSZUHG-SOFYXZRVSA-N 259.269 0.764 50 40 CCGB CCOc1ccc([C@@H](O)Cn2cc(C(=O)NN)nn2)cc1 85345090 BURJVZFIGJJGJA-LBPRGKRZSA-N 291.311 0.014 50 40 CCGB CC[C@H](C)OC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575423045 NOLYKJVMWITZEX-FXQIFTODSA-N 269.750 0.916 50 40 CCGB COCCNC(=S)NNC(=O)c1ccc(F)cc1 16211673 OIRYRDMGEUZGPJ-UHFFFAOYSA-N 271.317 0.581 50 40 CCGB O=C(CCl)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 495102 HMZILUGWVSCMJF-ONGXEEELSA-N 288.687 0.344 50 40 CCGB O=C(C[C@@H]1NCCNC1=O)N/N=C/c1c[nH]c2ccccc12 55116676 VCSBRPSKWDSATR-PFHXIJNMSA-N 299.334 0.096 50 40 CCGB CNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Br)C1 234352171 WFQDZMJJCMQOSA-SFYZADRCSA-N 277.162 0.754 50 40 CCGB O=C(C[n+]1ccccc1)N/N=C/c1ccc(O)cc1 2096270 FEHOJFAATZOPMG-UHFFFAOYSA-O 256.285 0.830 50 40 CCGB CC[C@H]1NC(=O)NC(CBr)=C1C(=O)OC 4342566 HEDKQCDXQIMDBB-RXMQYKEDSA-N 277.118 0.900 50 40 CCGB CSCc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)o1 9743314 NPTHEYWRNYETRA-UHFFFAOYSA-N 297.336 0.182 50 40 CCGB C[C@H](Oc1ccc(/C=N/NC(N)=O)cc1)C(=O)O 33328290 IWRIXBABKPESRI-PQHBYJLHSA-N 251.242 0.541 50 40 CCGB Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)NN 216771831 OKZRAPSLTQPXOT-UHFFFAOYSA-N 251.677 0.833 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1O 32116922 PFWCUAYPEUORST-OVCLIPMQSA-N 263.297 0.615 50 40 CCGB C/C(=N\NC(N)=O)c1cccc(/C(C)=N/NC(N)=O)c1 13404036 PVMQKKRABQFLJH-BGPOSVGRSA-N 276.300 0.471 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccccc1O 3057898 LHXDWFVAYUJSET-RIYZIHGNSA-N 263.297 0.757 50 40 CCGB CC(=O)O[C@H]1CO[C@@H](Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4991116 JWDUFIUUDGFMTM-LNFKQOIKSA-N 294.687 0.377 50 40 CCGB CC1=CC(=O)[C@@H](/C(C)=N/NC(=O)c2ccncc2)C(=O)O1 102500196 LNVBSFRRBYMQJJ-GFQQVXNGSA-N 287.275 0.833 50 40 CCGB Nc1nccnc1C(=O)NNC(=O)c1ccc(Cl)cc1 11241317 HTPZJPZYQXNLTM-UHFFFAOYSA-N 291.698 0.787 50 40 CCGB OB(O)c1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1 306145695 NWOCJWNZEDVCMV-UHFFFAOYSA-N 291.919 0.446 50 40 CCGB O=C(NNC(=O)c1cnsn1)c1ccc(F)cc1 47409551 RRNPKMSHNUHRLR-UHFFFAOYSA-N 266.257 0.752 50 40 CCGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(N)=O 5950531 LVKHEUBFFBVDAT-UQDQQJHMSA-N 259.269 0.679 50 40 CCGB O=C(CCl)NCc1n[nH]c(=O)c2ccccc12 5313234 ZXNXWRNLGNJLLU-UHFFFAOYSA-N 251.673 0.778 50 40 CCGB COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1OC 7785420 DBOZGUKHGFOZBX-OVCLIPMQSA-N 293.323 0.679 50 40 CCGB CSCC[C@H]1NC(=O)C(/C(C)=N/NC(N)=O)=C1O 102887612 VJFSXNWFFCYLDO-FSJWDVFWSA-N 272.330 0.094 50 40 CCGB CCN(C(=O)[C@@H](C)Cl)[C@H]1CCS(=O)(=O)C1 8428168 VOIBFKKTLCVMCG-SFYZADRCSA-N 253.751 0.649 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)C2CCC2)n1 8292321 DXHULRIBAIJDKY-UHFFFAOYSA-N 250.302 0.447 50 40 CCGB O=[S@](O)CCCCSSC[C@H](O)CO 17175184 PTBCLNNPKKSWGX-SSDOTTSWSA-N 260.402 0.723 50 40 CCGB CC(=O)NNC(=O)COc1c(F)c(F)cc(F)c1F 8393604 LBQHDKLQSPKQJI-UHFFFAOYSA-N 280.177 0.789 50 40 CCGB COCCNC(=O)C(=O)N/N=C/c1ccc(SC)cc1 5720050 IUDCECMZYFMKOA-OQLLNIDSSA-N 295.364 0.621 50 40 CCGB O=C(NCC(=O)N1CCCC1)N/N=C\c1ccccc1O 17130063 PBIBOLGYYADBOY-SXGWCWSVSA-N 290.323 0.648 50 40 CCGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccn1 59516087 OAXKWYIPNSZMRD-WOJGMQOQSA-N 282.303 0.848 50 40 CCGB NNC(=O)c1nccnc1NC(=O)c1ccc(Cl)cc1 71255906 XDTRWBUVRZXEOW-UHFFFAOYSA-N 291.698 0.986 50 40 CCGB CN(C)CCN(/N=C\c1ccc([N+](=O)[O-])o1)C(N)=O 16892604 BUNREPSQNJXLTH-GHXNOFRVSA-N 269.261 0.464 50 40 CCGB CC(C)(C)OC(=O)Nc1cc(B(O)O)c(Cl)cn1 203804575 UKNIRZYXINBDDQ-UHFFFAOYSA-N 272.497 0.762 50 40 CCGB CCOC(=O)C(=O)N/N=C1/C(=O)N(CC)c2ccccc21 100206650 AZWMXCQXGSOATP-RVDMUPIBSA-N 289.291 0.437 50 40 CCGB CCOC(=O)NC(=O)CI 1666995 KIIMFJOCQVMKPO-UHFFFAOYSA-N 257.027 0.694 50 40 CCGB NC(=O)C(=O)NNC(=S)Nc1ccc(Cl)cc1 3344620 PDULJFABNACKTA-UHFFFAOYSA-N 272.717 0.143 50 40 CCGB CC(/C=N/NC(=O)[C@H]1C=NNC1=O)=C\c1ccccc1 100948919 ZICSGVMEBKOGPP-VHTZDSECSA-N 270.292 0.924 50 40 CCGB Cc1ccc(C(=O)NNC(=O)c2nccnc2N)c(C)c1 12985238 BRDYELIUAJBHJV-UHFFFAOYSA-N 285.307 0.750 50 40 CCGB O=C(Cc1ccccc1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9486407 VYWMKGMBTQJGPV-QWRGUYRKSA-N 287.768 0.750 50 40 CCGB O=C(Cn1cncn1)N/N=C/c1cc([N+](=O)[O-])ccc1O 38182852 XATIRSXRTZVQLA-YIXHJXPBSA-N 290.239 0.042 50 40 CCGB CCOC(=O)[C@H]1CCCN1C(=O)CBr 41719231 BMRNUEKTPPGWGO-SSDOTTSWSA-N 264.119 0.935 50 40 CCGB CC1=C[C@@H]2[C@@H]3[C@H]([C@H]4C(=O)OC(=O)[C@H]34)[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 100039876 KLCJBGADIXBIIG-NQWGPCKQSA-N 288.255 0.070 50 40 CCGB C[C@@H]1CCc2c(sc3ncn(CC(=O)NN)c(=O)c23)C1 143676 GLFMBWOVBOMOAE-SSDOTTSWSA-N 292.364 0.573 50 40 CCGB CNC(=S)NNC(=O)c1ccc2c(c1)OCO2 13865559 KBGWZRQIWAGLGR-UHFFFAOYSA-N 253.283 0.154 50 40 CCGB CCCCN1C(=O)N=C(O)/C(=C(/C)NNC(N)=O)C1=O 8739134 USGCEDRTKWASFA-VOTSOKGWSA-N 283.288 0.152 50 40 CCGB COC(=O)NNS(=O)(=O)c1ccc(Cl)s1 7405531 VSXRRSQHTKABRP-UHFFFAOYSA-N 270.719 0.951 50 40 CCGB CCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 12699865 FKYBRHZDKMJKAH-UHFFFAOYSA-N 298.368 0.459 50 40 CCGB COc1ccccc1-n1nc(C(=O)NN)c(C)c(C#N)c1=O 13941756 XTLPXBIIUUZHKU-UHFFFAOYSA-N 299.290 0.025 50 40 CCGB C[C@H]1CN(C)[C@H](C)[C@H](/C=C(\C#N)C(N)=S)C1=O 33937853 DDJDOUUUOIGZKM-JECZYSCISA-N 251.355 0.878 50 40 CCGB NNC(=O)c1c[nH]c2ncc(Br)cc12 146850895 ITUYYORGOJPFDY-UHFFFAOYSA-N 255.075 0.929 50 40 CCGB Cc1c(C(=O)NN=C2CCCC2)nnn1-c1nonc1N 33248 YELZMVRRZXUPTC-UHFFFAOYSA-N 290.287 0.201 50 40 CCGB O=[P@@](O)(NCCCO)N(CCCl)CCCl 2037806 FYMCFKPEIMXMOB-UHFFFAOYSA-N 279.104 0.838 50 40 CCGB CCCCNC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59386550 YXUAXVVPPXJGIL-OQLLNIDSSA-N 292.295 0.961 50 40 CCGB NS(=O)(=O)c1cccc(NC(=O)CCCl)c1 12505115 BUYCWNAFYBIKEY-UHFFFAOYSA-N 262.718 0.901 50 40 CCGB C[C@H](O)CN(/N=C\c1ccc([N+](=O)[O-])o1)C(N)=O 18042722 GBNRGPOXYKKLGO-SQCQPSSGSA-N 256.218 0.283 50 40 CCGB COCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1O 6796071 SKANKTHLRZCADV-OVCLIPMQSA-N 288.307 0.983 50 40 CCGB Cc1nn2c(C(=O)NN)n[nH]c2c1-c1ccccc1 6796225 KZEXCRBDTGMUKY-UHFFFAOYSA-N 256.269 0.636 50 40 CCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(O)c1 104741752 AORQCALNGSFHFF-FLIBITNWSA-N 260.249 0.874 50 40 CCGB NNC(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 286070 LBTVVBLNYDIUCB-UHFFFAOYSA-N 297.380 0.901 50 40 CCGB CCOc1ccc(C(=O)NNC(=O)c2ccnn2C)cc1 58426782 PUGKRMNBRGCSTO-UHFFFAOYSA-N 288.307 0.894 50 40 CCGB Cc1c(C(=O)NNC(=O)c2ccccn2)cnn1C 48426133 YAKQYOJTZADYGD-UHFFFAOYSA-N 259.269 0.198 50 40 CCGB CCOc1ccc(N2C[C@H](C(=O)NN)CC2=O)cc1 4548302 BZFONHZXAPEXOD-SECBINFHSA-N 263.297 0.428 50 40 CCGB CCC(=O)NNC(=O)CCC(=O)N1C[C@@H](C)C[C@H](C)C1 199412486 WYXQCMNCKWYDGV-QWRGUYRKSA-N 283.372 0.829 50 40 CCGB NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4660189 IVFSIDNONVBWOR-UHFFFAOYSA-N 266.257 0.035 50 40 CCGB COC(=O)c1c(NC(=O)C(=O)NN)sc(C)c1C 2785904 PXPOYNTYDFNORM-UHFFFAOYSA-N 271.298 0.080 50 40 CCGB C=COCCNC(=S)NNC(=O)c1ccccc1O 15083186 QHGWUJVKCIMJIN-UHFFFAOYSA-N 281.337 0.661 50 40 CCGB CCC[C@@H]1C/C(=N/NC(N)=O)[C@H](NNC(N)=O)[C@@H](C)C1 32077944 MURNLHPXXRPLPI-JPIFOUCVSA-N 284.364 0.398 50 40 CCGB C[C@H](Cl)C(=O)NCCN1C(=O)CSC1=O 8390430 NFLXOZZMWZLEPI-YFKPBYRVSA-N 250.707 0.425 50 40 CCGB Nc1nc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n[nH]1 6221151 JAMOURPNLCKJSI-LFYBBSHMSA-N 275.228 0.059 50 40 CCGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(N)=O 6360332 RFYUOQKROKWAID-NTUHNPAUSA-N 262.225 0.609 50 40 CCGB O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C/c1ccccc1O 540223 OMDYEXPWCWETAL-WLRTZDKTSA-N 289.251 0.647 50 40 CCGB CC(C)CC(=O)NC(=S)NNC(=O)c1ccncc1 1864203 KAFSEDMJFBABJO-UHFFFAOYSA-N 280.353 0.763 50 40 CCGB Cc1cc(C(=O)NNC(=O)CN2CSCC2=O)c(C)o1 8143829 ZIRULJSWNDYPCU-UHFFFAOYSA-N 297.336 0.190 50 40 CCGB CC(C)CC[C@H](CCC(=O)NNC(N)=S)C(=O)O 2314999 LUWCXNKDBQPFLR-MRVPVSSYSA-N 275.374 0.768 50 40 CCGB COC(=O)NNC(=O)c1nn(-c2ccccc2)nc1C 14228191 CEPPGCZARNETPF-UHFFFAOYSA-N 275.268 0.577 50 40 CCGB CN(C)c1ccc(/C=N\NC(=O)c2nc[nH]n2)cc1 33635659 RMXGZMKJTVCWSJ-AUWJEWJLSA-N 258.285 0.635 50 40 CCGB COCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 7061585 JHIGUBBPUAYJQE-UHFFFAOYSA-N 278.224 0.014 50 40 CCGB N#C/C(=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(N)=O 16952059 MNGJVNOOHCIHSY-LZCJLJQNSA-N 278.180 0.601 50 40 CCGB Cc1nnc(NNC(=O)c2ccc(C#N)cc2)nc1O 9682977 VQVMNZBDRXOVTE-UHFFFAOYSA-N 270.252 0.514 50 40 CCGB OB(O)c1cc(Br)cc(OCC2CC2)c1 238640006 YLXRBSGIHSKXJS-UHFFFAOYSA-N 270.919 0.918 50 40 CCGB CN(C)NC(=O)C[C@H](NCc1ccccc1)C(=O)O 5599735 BTSABXAYEBRZOR-NSHDSACASA-N 265.313 0.212 50 40 CCGB CCOC(=O)/C(C#N)=C\NNC(=O)c1ccccc1 17354318 RRXQXQWOFODEFW-LUAWRHEFSA-N 259.265 0.892 50 40 CCGB O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCCl 1422563 BTRCDAIHWNOHJG-UHFFFAOYSA-N 277.667 0.531 50 40 CCGB O=C(NNC(=O)c1cccs1)C(=O)NC1CCCCC1 4833058 JBSYJWRRYYWYBU-UHFFFAOYSA-N 295.364 0.958 50 40 CCGB C/C(=N\NC(=O)c1cnc[nH]c1=O)c1ccc(O)cc1 55116568 DBEGEOJLQIJITR-LZYBPNLTSA-N 272.264 0.630 50 40 CCGB CC(C)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 17194685 VPISCIKPUHEVNW-UHFFFAOYSA-N 274.280 0.340 50 40 CCGB CSCCC(=O)NNC(=O)c1ccc2c(c1)OCO2 24923538 BQJBTLKINNPWIG-UHFFFAOYSA-N 282.321 0.929 50 40 CCGB CC(=O)OCC12C3[C@@H]4C5[C@H]3[C@H]1C([C@H]42)[C@H]1C(=O)OC(=O)[C@H]51 104281559 GNHPPKXQCPPJMX-RKSKWIBFSA-N 274.272 0.233 50 40 CCGB CCOCCC(=O)NNC(=O)Cc1ccccc1 14663253 QJGKZAAACIJNPS-UHFFFAOYSA-N 250.298 0.803 50 40 CCGB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCl)C1=O 3278176 JXOPSLIUHKRPAC-GFCCVEGCSA-N 281.699 0.724 50 40 CCGB C/C(N)=C(\C#N)C(=O)CSc1nnc(N)s1 6312159 MPGCJECDWCLLAJ-PLNGDYQASA-N 255.328 0.538 50 40 CCGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)[nH]n1 5687192 JDTVYFKBYRGNLP-BDAKNGLRSA-N 294.311 0.370 50 40 CCGB COc1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1 193407 VUHHRUJPFWYNEA-VGOFMYFVSA-N 291.336 0.822 50 40 CCGB COC(=O)c1ccc(/C=N/NC(=O)C[n+]2ccccc2)cc1 2705167 BUZQXNFMDUNCRH-UHFFFAOYSA-O 298.322 0.911 50 40 CCGB COc1ccc([C@@](O)(C(=O)NN)c2ccccc2)cc1 8732374 VOZRKVVNYCYRRQ-OAHLLOKOSA-N 272.304 0.921 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59516002 AXOSXPVTUBKLSP-RIYZIHGNSA-N 292.295 0.960 50 40 CCGB CC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 3371240 XTZFHMAITZKOAF-NYYWCZLTSA-N 251.198 0.794 50 40 CCGB CN(C)CCn1c(CCl)cnc1S(C)(=O)=O 47219304 QZSWTJMASMFDGO-UHFFFAOYSA-N 265.766 0.587 50 40 CCGB Nc1nc(=O)c2nc(CBr)cnc2[nH]1 137972896 WLHGUACGXTYZSJ-UHFFFAOYSA-N 256.063 0.190 50 40 CCGB in-vitro O=C1C=CC(=O)N1SSN1C(=O)C=CC1=O 37282 SEBFKVKRAREXAK-UHFFFAOYSA-N 256.264 0.048 50 40 CCGB Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 29605104 BMCUKNZPTJIUQN-SNVBAGLBSA-N 289.339 0.547 50 40 CCGB O=C1O[C@H](O)[C@@H](Br)[C@H]1Br 100762040 WVWMLQBHJMNOOB-MGGFGJSXSA-N 259.881 0.389 50 40 CCGB N#C/C(=C/C1C(=O)NC(=O)NC1=O)c1nc2ccccc2[nH]1 100165397 LNAHHJDMERYCGS-ALCCZGGFSA-N 295.258 0.452 50 40 CCGB Cc1nnn(C23C[C@@H]4C[C@H](CC(C(=O)NN)(C4)C2)C3)n1 100772158 CCNAXTVWIKMWOQ-ITSCGTHASA-N 276.344 0.267 50 40 CCGB CCC(=O)NNC(=O)COc1ccccc1OC 5416881 NLDBCTPVPONYBT-UHFFFAOYSA-N 252.270 0.631 50 40 CCGB NC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccs2)C1 7958387 NMEGZZUOFYRPSR-MRVPVSSYSA-N 296.352 0.300 50 40 CCGB NNC(=O)c1cnc(C(Cl)(Cl)Cl)[nH]c1=O 225011817 ZWLYADPUNREKCI-UHFFFAOYSA-N 271.491 0.200 50 40 CCGB COc1cc(/C=N/NC(C)=O)ccc1OCC(N)=O 7946457 QKSBHVGWVHMFJH-MKMNVTDBSA-N 265.269 0.029 50 40 CCGB O=C(NNS(=O)(=O)c1ccccc1)c1cnccn1 6581551 VRTKRVUAVHRQOB-UHFFFAOYSA-N 278.293 0.100 50 40 CCGB Cc1ccc(C(=O)NNC(=O)c2cc(O)nc(O)n2)cc1 408718237 DKPHFKFKDAEJOX-UHFFFAOYSA-N 288.263 0.271 50 40 CCGB CC1=CC2(C)[C@H]3C(=O)OC(=O)[C@@H]3C1[C@@H]1C(=O)OC(=O)[C@H]12 95749420 VPEBWHJXHKKKRE-ZKQYOGFQSA-N 276.244 0.214 50 40 CCGB CCOC(=O)NNC(=O)CN1CCCCCC1=O 58096887 NCCXOTUXAXAEHW-UHFFFAOYSA-N 257.290 0.166 50 40 CCGB N#C/C(=C\NC(=S)NCc1ccccc1)C(N)=O 104302071 YLJKNBABBHWKLL-CSKARUKUSA-N 260.322 0.543 50 40 CCGB Cc1ccc(C(=O)NCC(=O)NNC(=O)C2CC2)s1 58023007 MCZMTQFCIGMLJQ-UHFFFAOYSA-N 281.337 0.344 50 40 CCGB O=C(CCN1CCOCC1)N/N=C/c1ccc(O)cc1O 23226916 CEKCMNPQCFKTQB-XNTDXEJSSA-N 293.323 0.270 50 40 CCGB C/C(N)=C(\C#N)C(=O)Cn1nnc2ccccc2c1=O 105496863 INTCMYMRTZDIPT-NTMALXAHSA-N 269.264 0.117 50 40 CCGB O=S1(=O)C[C@@H]2Sc3nncn3[C@H]2[C@@H]1Br 195528824 JPNIRFRMIOBGTE-VPENINKCSA-N 296.171 0.443 50 40 CCGB NNC(=O)c1nc(COc2ccccc2Cl)no1 120215 WJJBLMSQFYDJJO-UHFFFAOYSA-N 268.660 0.906 50 40 CCGB O=C(CCN1CCOCC1)N/N=C\c1cccnc1 32216749 LHPNKUIKNGKNOS-PTNGSMBKSA-N 262.313 0.254 50 40 CCGB CC(C)(CNC(=O)CCl)CNC(=O)CCl 5726838 XCUAXVPGWYHXQQ-UHFFFAOYSA-N 255.145 0.723 50 40 CCGB Cc1sc2ncn(CC(=O)NN)c(=O)c2c1C 949482 WRHQWNHCXGPWEV-UHFFFAOYSA-N 252.299 0.065 50 40 CCGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C)[C@@H]2C1 20000797 MCYBHRADOGIMPJ-ZANVPECISA-N 281.319 0.811 50 40 CCGB CCCCNC(=S)NNC(=O)c1cc(C)n(C)n1 2744189 XXOJKDABXBDYNG-UHFFFAOYSA-N 269.374 0.638 50 40 CCGB O=C(O)[C@@H]1[C@H]2C[C@@H]([C@@H](O)[C@H]2Br)[C@H]1C(=O)O 100515711 HSXXTRKWGMTWDD-JWCLTRPWSA-N 279.086 0.162 50 40 CCGB C=CCc1cccc(/C=N/NC(=O)C[N+](=O)[O-])c1O 18194676 GHBVGFZWGGZNDZ-NTUHNPAUSA-N 263.253 0.848 50 40 CCGB N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)NC(N)=O 409241493 NYTCMKSNZRJRNV-UITAMQMPSA-N 259.221 0.487 50 40 CCGB Cn1/c(=N\NC(=O)[C@@H]2CCC(=O)N2)sc2ccccc21 102805565 COAOAJSMVKEOKL-MOUPLNQNSA-N 290.348 0.450 50 40 CCGB CCC(=O)NC(=S)NNC(=O)COc1ccc(C)cc1 2135569 ROEMXUZEKFCVAB-UHFFFAOYSA-N 295.364 0.806 50 40 CCGB NNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 66057338 WVBLOWFICLKPOV-UHFFFAOYSA-N 292.295 0.437 50 40 CCGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1 409003224 YQOPZIQVFWAUBH-CULDGANSSA-N 280.280 0.069 50 40 CCGB COc1ccc(O)c(/C=N/NC(=O)c2ccn(C)n2)c1 132253 MAYILXIOLUTKSV-RIYZIHGNSA-N 274.280 0.898 50 40 CCGB Cc1ccccc1N=c1[nH]nc(CC(=O)NN)s1 1889119439 IEXSQBISKAQJNQ-UHFFFAOYSA-N 263.326 0.544 50 40 CCGB CC(=O)/C=C/C(=O)NNS(=O)(=O)c1ccc(C)cc1 1626275 OPBWKLXVROIGOJ-VMPITWQZSA-N 282.321 0.450 50 40 CCGB Nc1ncc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])cn1 30846400 XMGAVJRCDQBWEO-APSNUPSMSA-N 286.251 0.731 50 40 CCGB CCOC(=O)C(=O)N/N=C/c1ccc(OC)cc1 2303920 XRAHLBPDIGNUOQ-MDWZMJQESA-N 250.254 0.708 50 40 CCGB C[N+](C)(C)NC(=O)CCCCC(=O)N[N+](C)(C)C 5360027 XSDKTBHSKXYGMC-UHFFFAOYSA-P 260.382 0.022 50 40 CCGB Cc1c(/C=C(\C#N)C(=O)OCCO)cc(C#N)n1C 96297803 IVWOXCZRTUQFSI-VZUCSPMQSA-N 259.265 0.648 50 40 CCGB Cc1cc2c(=O)ccn(CC(=O)NN)c2cc1Cl 72237457 OJFQYIIKCNGOIP-UHFFFAOYSA-N 265.700 0.953 50 40 CCGB O=C(CCBr)ON1C(=O)CCC1=O 59400278 CBRLPODHUQJPRX-UHFFFAOYSA-N 250.048 0.379 50 40 CCGB in-vitro COc1ccc(Cl)c2c(=O)c(C(=O)NN)c[nH]c12 64874707 PNTVJOQWZPOYRB-UHFFFAOYSA-N 267.672 0.794 50 40 CCGB CCNC(=S)NNC(=O)c1ccc(OC)cc1 13545105 JBARFDFYKOYIFJ-UHFFFAOYSA-N 253.327 0.824 50 40 CCGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCC(=O)O)c1 6860527 ZPZPVFOUVZZTFH-SNVBAGLBSA-N 294.307 0.775 50 40 CCGB NNC(=O)COc1ccc(Br)cc1[N+](=O)[O-] 83827068 OJLLVPVQYFTOAB-UHFFFAOYSA-N 290.073 0.726 50 40 CCGB CCOC(=O)CN1CC[C@H](Br)C1=O 82607032 MPRWQADZAJHZQN-LURJTMIESA-N 250.092 0.545 50 40 CCGB O=C(O)/C=C/C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 100713959 KXMBSMJOEHWQTE-YUBFUXFOSA-N 252.270 0.211 50 40 CCGB CC(C)(C)OC(=O)n1c(B(O)O)cc2cccnc21 196986778 WZPOUEKWKYVQMH-UHFFFAOYSA-N 262.074 0.499 50 40 CCGB NC(=O)C(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F 5560588 WEYIEHMNJZRKDK-KDFUSNODSA-N 281.140 0.318 50 40 CCGB Cc1ccccc1/C=N\NC(=O)CN1CCOCC1 409001592 WRGALVFMSXKUNJ-GDNBJRDFSA-N 261.325 0.777 50 40 CCGB Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1C1CCCC1 72415069 RICGVUCQEXQRLV-UHFFFAOYSA-N 271.704 0.655 50 40 CCGB NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16384539 VMUHBFSQECRDIN-UHFFFAOYSA-N 274.689 0.726 50 40 CCGB O=NN(CCCl)C(=O)NCc1ccc[n+]([O-])c1 5640423 AHRARYLCXQHBBJ-UHFFFAOYSA-N 258.665 0.752 50 40 CCGB NNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 19930422 MMGMEFWKSSAVLG-UHFFFAOYSA-N 283.353 0.050 50 40 CCGB CCN(CC)C(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444338 BWRIGHQTWFPHEZ-OQLLNIDSSA-N 291.307 0.703 50 40 CCGB O=C(CCN1CCOCC1)NNC(=O)Nc1ccccc1 28295590 DKVRIYSLLRYHOB-UHFFFAOYSA-N 292.339 0.562 50 40 CCGB COc1cc(OC)cc(C(=O)NNC(N)=S)c1 9028505 QPRMZMISAGNLJI-UHFFFAOYSA-N 255.299 0.182 50 40 CCGB O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccccn1 246803 UPNAHSNKFZTXJO-VIZOYTHASA-N 273.248 0.962 50 40 CCGB Cc1nn(Cn2ccc(C(=O)NN)n2)c(C)c1Cl 2535150 NBRLXMPPYVGILP-UHFFFAOYSA-N 268.708 0.459 50 40 CCGB COc1ccccc1N1CCS[C@@H]1C(=O)NN 4550041 MLTNKXZJDVQYOJ-LLVKDONJSA-N 253.327 0.564 50 40 CCGB NC(=O)NNC(=S)NCCCc1ccccc1 408586347 NQYUSGDLVSHXBN-UHFFFAOYSA-N 252.343 0.667 50 40 CCGB COCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 46867068 JBNASXRBILFPLH-MRVPVSSYSA-N 270.260 0.387 50 40 CCGB CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)OC2=O 100074118 PSSBVORCFWWHFQ-UHFFFAOYSA-N 264.189 0.848 50 40 CCGB Cc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)o1 59483189 RIYNOAXYMXTXLJ-CXUHLZMHSA-N 295.339 0.969 50 40 CCGB Cc1ccc(OCC(=O)NNC(=O)CCC(=O)O)cc1 2132211 NMGPYQULDLXXGS-UHFFFAOYSA-N 280.280 0.386 50 40 CCGB O=C(NNc1ncnc2[nH]ncc12)c1ccccc1O 44928590 DTLIBHJHSSVIHA-UHFFFAOYSA-N 270.252 0.815 50 40 CCGB CCCCNC(=O)/C(C#N)=C/N1CCC(C(N)=O)CC1 32029835 VSZHINJVYQPGCO-ZRDIBKRKSA-N 278.356 0.507 50 40 CCGB C[C@@H](Br)C(=O)N1CCc2c(nnn2C)C1 95097449 VBACOGZUZOFTTM-ZCFIWIBFSA-N 273.134 0.483 50 40 CCGB CC1=C[C@@H]2[C@H]3[C@@H]4C(=O)OC(=O)[C@@H]4[C@@H]3[C@@H]1[C@@H]1C(=O)OC(=O)[C@H]21 169683656 KLCJBGADIXBIIG-YBCHIBTMSA-N 288.255 0.070 50 40 CCGB N#CC1=C(N)Nc2nc(C(=O)O)nn2[C@@H]1c1ccccc1 8559539 RLBWAYMSRRKWEW-SECBINFHSA-N 282.263 0.685 50 40 CCGB COc1ccc(CC(=O)NNC(=O)CCC(=O)O)cc1 1794367 MOYSLMHYAMLTOX-UHFFFAOYSA-N 280.280 0.250 50 40 CCGB biogenic,in-vitro CC(C)(O)C(=O)N/N=C/c1cnc2ccccc2n1 32578377 MHTGACLEQZXBHN-OVCLIPMQSA-N 258.281 0.851 50 40 CCGB CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C(=O)OC2=O 97972245 LKVPAJBLAXSLLC-OCAPTIKFSA-N 255.270 0.943 50 40 CCGB CNc1nc(NC)nc(NNC(=O)c2ccccc2)n1 5605356 PDFNIGFATRQKCI-UHFFFAOYSA-N 273.300 0.712 50 40 CCGB COCCNC(=O)C(=O)N/N=C/c1ccc(F)cc1 3059991 VNFIVRVHFYWPMZ-OVCLIPMQSA-N 267.260 0.038 50 40 CCGB O=C(O)CCCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 6221354 CEVTXLUOXKQFLA-UHFFFAOYSA-N 295.251 0.611 50 40 CCGB O=C(N/N=C/c1ccncc1)C(=O)N1CCCCC1 59459628 QVKYTMAJRIMZPU-XNTDXEJSSA-N 260.297 0.544 50 40 CCGB O=C(N[C@@H]1C=CS(=O)(=O)C1)OC[C@@H](Cl)CCl 59568578 JQJKMELGQCHPGK-NKWVEPMBSA-N 288.152 0.870 50 40 CCGB COc1ccc(N(CC(=O)O)CC(=O)NN(C)C)cc1 34926475 QEFMXUYVHJIRFZ-UHFFFAOYSA-N 281.312 0.179 50 40 CCGB COc1cccc(/C=N/NC(=O)c2ccn(C)n2)c1O 132157 DTVAXEWTYMGTGW-RIYZIHGNSA-N 274.280 0.898 50 40 CCGB NNC(=O)CCCCCNC(=O)c1cccc([N+](=O)[O-])c1 2676388 LCDBQVCHKHWFTM-UHFFFAOYSA-N 294.311 0.875 50 40 CCGB O=C(NCc1ccncc1)C(=O)N/N=C/c1cccnc1 4116047 UAWGXYGKEGOEQM-VCHYOVAHSA-N 283.291 0.243 50 40 CCGB CC(=O)NC(=S)NNC(=O)COc1ccccc1C 2064493 YKQJQKBJPMDBOX-UHFFFAOYSA-N 281.337 0.416 50 40 CCGB NNC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 66057387 PDUQIXUSBJKNDN-UHFFFAOYSA-N 261.325 0.458 50 40 CCGB CCOc1cc2c(cc1/C=N\NC(N)=O)OCO2 409106581 MTRRLUMIYISYHF-ACAGNQJTSA-N 251.242 0.816 50 40 CCGB NNC(=O)Cn1ccc(=O)c2cc(Br)ccc21 40175606 YOJGEKKQWMAZPM-UHFFFAOYSA-N 296.124 0.754 50 40 CCGB CCOc1nccc(C(=O)NN)c1Br 725325879 GGZHBLLLKMLUOL-UHFFFAOYSA-N 260.091 0.846 50 40 CCGB CCCCCC[C@]1(/C=N\NC(N)=O)NC(=O)NC1=O 17284543 HYUOSUMGCNCBQN-NUBYWOLOSA-N 269.305 0.189 50 40 CCGB OB(O)c1ccnc(C(F)(F)F)c1Br 238629822 RFJXSJSZZFIFAT-UHFFFAOYSA-N 269.813 0.543 50 40 CCGB O=S1(=O)C[C@@H](O)[C@H](Br)[C@H]1Br 5613066 XDTMYGFCKXRSMK-UZBSEBFBSA-N 293.964 0.260 50 40 CCGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccncc1 59459609 GQGXYJRIOKFSAR-XDHOZWIPSA-N 296.330 0.891 50 40 CCGB N#CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 25756929 IFZWSPGJUFLDGI-UHFFFAOYSA-N 273.208 0.281 50 40 CCGB NC(=S)NNC(=O)COc1ccccc1Cl 9286936 SKWATSNZISMPSN-UHFFFAOYSA-N 259.718 0.583 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OC 5511624 KSRNDBISOSAUAR-MHWRWJLKSA-N 293.323 0.298 50 40 CCGB CCCNS(=O)(=O)c1ccc(CCC(=O)NN)cc1 6880256 BLBREWVAJGLAGT-UHFFFAOYSA-N 285.369 0.297 50 40 CCGB Cc1cc(C)nc(NNC(=O)CNC(=O)c2ccccc2)n1 14513549 QHAWFHIKHGQVCS-UHFFFAOYSA-N 299.334 0.967 50 40 CCGB CCOC(=O)CC/C(C)=N/NC(=O)c1ccc[n+](C)c1 5208257 DKGRACSGCZSXSL-RVDMUPIBSA-O 278.332 0.960 50 40 CCGB OB(O)c1ccc(F)c(I)c1F 169994914 GJEPANJRXYVOIH-UHFFFAOYSA-N 283.808 0.249 50 40 CCGB CCOC(=O)[C@@]1(C)C(C#N)=C(N)Oc2[nH]nc(C)c21 6265588 VWPBEZBIJDLOQV-LBPRGKRZSA-N 262.269 0.625 50 40 CCGB COc1cc(/C=N/NC(C)=O)ccc1OCC(=O)O 59167104 DMMRJYJPECAHSP-AWNIVKPZSA-N 266.253 0.629 50 40 CCGB N#C/C(N)=C(C#N)/N=C/c1cc(O)c(O)cc1[N+](=O)[O-] 35622960 YLBPELYIOOTIAT-PXBUKJFOSA-N 273.208 0.642 50 40 CCGB CCC[C@H](C)NS(=O)(=O)c1cccc(C(=O)NN)c1 225502159 CBSKGXLGXMIBSL-VIFPVBQESA-N 285.369 0.757 50 40 CCGB CNC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1 8091872 YWQZXFWIFQXPSG-WLRTZDKTSA-N 255.661 0.242 50 40 CCGB COc1ccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)cc1 5800057 SSCRWVHMIHOTAU-RIYZIHGNSA-N 274.280 0.817 50 40 CCGB O=C(N/N=C/c1ccccc1O)c1[nH]cnc1[N+](=O)[O-] 1414281 WCAJZQXSQAQVFV-LHHJGKSTSA-N 275.224 0.787 50 40 CCGB C[C@]12CCCC=C1NC(=O)[C@@]21C(=O)NC(N)=C1C#N 100257605 NJCVMGHUMAVNLC-STQMWFEESA-N 258.281 0.000 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2cccc(O)c2)s1 109292 APOSZNUPYRCERD-AWNIVKPZSA-N 277.309 0.519 50 40 CCGB NNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 53994614 FZCKFQFYOSBVPZ-UHFFFAOYSA-N 296.124 0.754 50 40 CCGB Cc1cc(C)nc(NNC(=O)CN2CSCC2=O)n1 22233949 KRJQZRQOELCQGZ-UHFFFAOYSA-N 281.341 0.069 50 40 CCGB C/C(N)=C(\C#N)C(=O)Cn1ncc(Cl)c(Cl)c1=O 105808481 QZDSTIVLAMTHCQ-WAYWQWQTSA-N 287.106 0.875 50 40 CCGB O=C(NCc1ccc(F)cc1)c1cccc(B(O)O)c1 1503999309 BUQIGZOWJOLSAN-UHFFFAOYSA-N 273.072 0.436 50 40 CCGB CC1(C)O[C@H]2O[C@@H]3[C@H](Br)C(=O)O[C@H]3[C@H]2O1 5742058 FXPONKIXLZIVOT-CAZBWKGRSA-N 279.086 0.552 50 40 CCGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccco1 16991583 CLTOVDQKFBNUPH-MRVPVSSYSA-N 269.326 0.568 50 40 CCGB CCN(CC)C(=O)C(=O)N/N=C/c1cccc(O)c1 58884597 TTYOQHGCTQVPCQ-NTEUORMPSA-N 263.297 0.711 50 40 CCGB O=C(NCc1ccccn1)C(=O)NN=C1CCCC1 59515704 HUHKSUKKVSEVSM-UHFFFAOYSA-N 260.297 0.744 50 40 CCGB CCN(C(=O)[C@H](C)Cl)[C@@H]1CCS(=O)(=O)C1 8428169 VOIBFKKTLCVMCG-JGVFFNPUSA-N 253.751 0.649 50 40 CCGB CC(C)NC(=O)CNC(=O)NNC(=O)OC(C)(C)C 43886842 NTSLLQJJAIPTLO-UHFFFAOYSA-N 274.321 0.250 50 40 CCGB CCOC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167606 WQRNCRNYZPKVPS-NTSWFWBYSA-N 257.764 0.302 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(O)c(OCC)c1 3057508 TZDFYXAOJMGLOF-CXUHLZMHSA-N 291.307 0.543 50 40 CCGB Cc1cnc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cn1 14622349 YBTZHNYDFPNAFB-UHFFFAOYSA-N 299.334 0.926 50 40 CCGB O=C(C[C@H]1SC(=O)NC1=O)NNC(=O)c1ccccc1 16807529 HGFSOLUXTOLUGK-MRVPVSSYSA-N 293.304 0.189 50 40 CCGB N#CC1=C(NC(=O)Nc2ccccc2)NC(=S)NN1 1556566 XWNXIPRWUBSNBL-UHFFFAOYSA-N 274.309 0.483 50 40 CCGB O=C1NN=C[C@H]1C(=O)N/N=C/c1c(F)cccc1Cl 100948870 PUWSPOVIGNVEOD-ATKWMGEFSA-N 282.662 0.661 50 40 CCGB CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Br 234354874 BTPQBHKLNXNWDE-RNFRBKRXSA-N 263.135 0.507 50 40 CCGB CCOC(=O)CC(=O)NNc1ccccc1[N+](=O)[O-] 16682777 SIUJXCFLEWYRPZ-UHFFFAOYSA-N 267.241 0.991 50 40 CCGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCC#N 7154651 VDXGQPSBFQYIDP-UXBLZVDNSA-N 257.249 0.990 50 40 CCGB NNC(=O)CNC(=O)Nc1cccc(C(F)(F)F)c1 1567751 INSWZZWKZAXYFO-UHFFFAOYSA-N 276.218 0.817 50 40 CCGB CCS(=O)(=O)CC(=O)NNC(=O)c1cc(C)oc1C 48910704 NSNIIJDYTPYJPP-UHFFFAOYSA-N 288.325 0.092 50 40 CCGB Cc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)[nH]n1 5687193 JDTVYFKBYRGNLP-IUCAKERBSA-N 294.311 0.370 50 40 CCGB COc1ccc([C@H](Cl)[C@@H](C)N)cc1S(N)(=O)=O 22054690 SWULSHNLZCHBKQ-LHLIQPBNSA-N 278.761 0.970 50 40 CCGB in-vitro CC(C)(C)NC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167810 RHVJMCXQYHJVOB-NKWVEPMBSA-N 284.834 0.653 50 40 CCGB COc1cc2c(cc1OC)/C(=N/NC(C)=O)C(=O)N2 43911004 FXYGQDXRAQTEJE-UHFFFAOYSA-N 263.253 0.496 50 40 CCGB O=C1CC[C@@H](N[C@H]2OC(=O)c3ccccc32)C(=O)O1 104209005 NNJDQBBPQOZMKB-KOLCDFICSA-N 261.233 0.677 50 40 CCGB C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)C1CC1 58418118 ORMIAHNVJFQZKA-ONGXEEELSA-N 270.329 0.518 50 40 CCGB CCOC(=O)CCC(=O)NNC(=O)c1ccc(OC)cc1 4656972 SCQMBHLXEOFEFP-UHFFFAOYSA-N 294.307 0.800 50 40 CCGB CC(=O)S[C@@H]1CS(=O)(=O)C[C@H]1Br 16789878 CXORRTZVZLVOJB-PHDIDXHHSA-N 273.173 0.827 50 40 CCGB COc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1 16851338 PEPDBHIUMRNQJY-UHFFFAOYSA-N 266.253 0.321 50 40 CCGB O=C1CC[C@@H](N[C@@H]2OC(=O)c3ccccc32)C(=O)O1 104209000 NNJDQBBPQOZMKB-MWLCHTKSSA-N 261.233 0.677 50 40 CCGB NNC(=O)COc1cc([N+](=O)[O-])cc2cccnc12 536448 HGYUNTJOWCSMJU-UHFFFAOYSA-N 262.225 0.512 50 40 CCGB Cn1cc(Cl)cc1C(=O)NNC(=O)c1ccc[nH]c1=O 12684387 YBGGYLPDTFGCTA-UHFFFAOYSA-N 294.698 0.442 50 40 CCGB O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccncc1 345080 RJUICIQRGODBHD-GHMZBOCLSA-N 291.307 0.734 50 40 CCGB O=C(NNC(=O)c1ccco1)C(=O)NC1CCCCC1 4893132 QDNIQHNHTMVUCX-UHFFFAOYSA-N 279.296 0.490 50 40 CCGB CCn1cc(NC(=O)C(Cl)Cl)c(C(N)=O)n1 2781294 XOZVYZYPAGDUQS-UHFFFAOYSA-N 265.100 0.744 50 40 CCGB NNC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 9644787 SHCYGMHDBSHVCX-JTQLQIEISA-N 251.261 0.420 50 40 CCGB CCOC(=O)CNC(=O)/C=C\N(CCCl)CCCl 104394372 FLTJYGFVVBIXLH-UTCJRWHESA-N 297.182 0.959 50 40 CCGB CC(C)C(=O)NNC(=O)Cc1n[nH]c(=O)c2ccccc12 9315198 OHQANVWMAIKPRB-UHFFFAOYSA-N 288.307 0.269 50 40 CCGB CC(C)(C)OC(=O)NCC(=O)NNC(=S)NC1CC1 4364987 JTOOTOXSYMNSQX-UHFFFAOYSA-N 288.373 0.169 50 40 CCGB CCNC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 43466504 VZECXZRXBBICGR-UHFFFAOYSA-N 252.230 0.559 50 40 CCGB c1ccc([Si-]234OCC[N+]2(CCO3)CCO4)cc1 195819373 LDOWJVBCZRHOKX-UHFFFAOYSA-N 251.358 0.191 50 40 CCGB CC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6317942 RBDBHUMCNNYILO-UHFFFAOYSA-N 267.310 0.795 50 40 CCGB COCCNC(=S)NNC(=O)c1csc(C)c1 8301418 LIPQUDUWHAQLRD-UHFFFAOYSA-N 273.383 0.812 50 40 CCGB COC(=O)CCC(=O)NNC(=O)COc1ccccc1C 6218536 OXGXGJCCONQMOC-UHFFFAOYSA-N 294.307 0.474 50 40 CCGB NC(=O)N/N=C\c1cc(Cn2cncn2)cs1 4727532 MGDDGVVTEQKDQF-OIXVIMQBSA-N 250.287 0.390 50 40 CCGB CC1(C)Cc2c(sc(NC(=O)C(=O)NN)c2C#N)CO1 6759880 OBGNDSCALRTKAD-UHFFFAOYSA-N 294.336 0.399 50 40 CCGB Cc1c(Br)cc(B(O)O)c(F)c1F 642814712 SRAYFRDQHIVSMN-UHFFFAOYSA-N 250.835 0.716 50 40 CCGB CCOC(=O)C(=O)NNc1ccc([N+](=O)[O-])cc1 4856512 HUTRCHJJQRMLAZ-UHFFFAOYSA-N 253.214 0.601 50 40 CCGB O=C(CCO)NNC(=O)Nc1cccc(-c2ncco2)c1 95942696 OQIHPFRDAFGRJL-UHFFFAOYSA-N 290.279 0.877 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1F 8217695 IGQBXKXDTFPYND-VGOFMYFVSA-N 251.261 0.800 50 40 CCGB CO[Si](CNCCCCCCN)(OC)OC 196287057 IXQIQBXABDUOAW-UHFFFAOYSA-N 250.415 0.512 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1ccc(C)cc1 59503536 RBSMRRJUNBNDMO-MHWRWJLKSA-N 277.324 0.598 50 40 CCGB Cc1cccc(C)c1OCC(=O)NNC(N)=S 26509923 FYUPNBGNKIMGQO-UHFFFAOYSA-N 253.327 0.547 50 40 CCGB C/C(=N\NC(=O)CCN1CCOCC1)c1ccc(O)cc1 95532645 QWWQBXZTBIMBGA-FOWTUZBSSA-N 291.351 0.955 50 40 CCGB O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccncc1 5778218 LCYXEASHSSARRQ-MNOVXSKESA-N 289.291 0.510 50 40 CCGB O=C(CCl)NC(=O)n1cc(Br)cn1 2744377 IIKDRMPZXCUFMD-UHFFFAOYSA-N 266.482 0.969 50 40 CCGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccncc1 4551578 TVKWXESSURAEEX-JTQLQIEISA-N 280.353 0.370 50 40 CCGB N#CC(C#N)=C/N=c1\ccc(Cl)cn1CC(N)=O 4910492 MDFQYNZCYHSWNB-LFIBNONCSA-N 261.672 0.459 50 40 CCGB N#Cc1c(CBr)nc2ncnn2c1N 22126684 JXZYGFMIMWBFOW-UHFFFAOYSA-N 253.063 0.473 50 40 CCGB COc1ccc(Br)c(CC(=O)NN)c1N 38529156 NTEYUWDXTNQTRM-UHFFFAOYSA-N 274.118 0.572 50 40 CCGB CCNC(=O)[C@H]1CCCN1C(=O)CBr 72207532 PYPRXVADFIOGFY-SSDOTTSWSA-N 263.135 0.508 50 40 CCGB CCOC(=O)NNC(=O)Cc1cn2ccsc2n1 21771672 XWWRZRPQDMKDNV-UHFFFAOYSA-N 268.298 0.716 50 40 CCGB Cc1cc(C)nc(NNC(=O)CNC(=O)c2ccco2)n1 22235124 SXSBZWZPDNQKCG-UHFFFAOYSA-N 289.295 0.560 50 40 CCGB CC(=O)OCC1=C[C@H]2[C@@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31 101043774 HEPGNZNJPRYADJ-MCDVFOBDSA-N 274.272 0.854 50 40 CCGB O=C1N=c2ccccc2=C1NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 136333527 VLOVJSOEYOLNPY-JBLDHEPKSA-N 283.331 0.012 50 40 CCGB OC[C@H](O)COC[C@H](Br)C(F)(F)F 1083807910 APRUHIYCRHKHRM-WHFBIAKZSA-N 267.041 0.682 50 40 CCGB O=C(CCCO)N/N=C/c1ccc2c(c1)OCO2 3158869 JTQANIYDMGSIFS-NTUHNPAUSA-N 250.254 0.638 50 40 CCGB O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(=O)oc1 103622395 VYWLDBZAVCHREI-UWVGGRQHSA-N 276.292 0.837 50 40 CCGB COC(=O)N1[C@H]2C=C[C@H]([C@@H]3C(=O)OC(=O)[C@@H]32)[C@H]1C 100674672 QTBGPQWMVFKTIF-ZTKNNBQKSA-N 251.238 0.327 50 40 CCGB CC[C@@H](C)N(NC(C)=O)c1nc(OC)nc(N(C)C)n1 1271985 JHSAYEUUCBYBPZ-MRVPVSSYSA-N 282.348 0.602 50 40 CCGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccco2)s1 408730286 GUDUBFBNCQSMRI-WUXMJOGZSA-N 293.308 0.782 50 40 CCGB CCN1C(C#N)=C(C#N)N[C@@H]2C(C(C)=O)=C(C)O[C@@H]21 33821709 XTQMEILLOYOLLS-OLZOCXBDSA-N 258.281 0.758 50 40 CCGB CCOc1cc(/C=C/C(=O)NN)ccc1OCC#N 226361133 AFOHBRSZGCMVFM-GQCTYLIASA-N 261.281 0.991 50 40 CCGB CC(=O)NC(=S)NNC(=O)c1ccccc1O 2064484 VEBPLLSDLGDPCL-UHFFFAOYSA-N 253.283 0.048 50 40 CCGB O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1[N+](=O)[O-] 44845263 LQJZXPWDOIJHGA-RCOVLWMOSA-N 266.213 0.703 50 40 CCGB CCOc1cc(/C=N/NC(N)=O)cc([N+](=O)[O-])c1O 36622590 WQJJLENISJHHEX-LFYBBSHMSA-N 268.229 0.701 50 40 CCGB O=S1(=O)C[C@H](O)[C@H](Br)[C@H]1Br 5613021 XDTMYGFCKXRSMK-HZLVTQRSSA-N 293.964 0.260 50 40 CCGB C/C(=N/NC(N)=O)c1cccc(/C(C)=N\NC(N)=O)c1 13404031 PVMQKKRABQFLJH-DUGOVBPYSA-N 276.300 0.471 50 40 CCGB Cc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 7782076 PHNDOKAAQVLAPP-YRUBURHZSA-N 289.335 0.740 50 40 CCGB NNC(=O)CNC(=O)c1ccccc1C(F)(F)F 2455295 WUBIJSKYXHYREU-UHFFFAOYSA-N 261.203 0.425 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 409130216 KTVBBCFMKLDLHA-OVCLIPMQSA-N 279.296 0.290 50 40 CCGB CCNC(=O)N(C)NS(=O)(=O)c1ccccc1 97162121 CTMLEKLLSZNXDX-UHFFFAOYSA-N 257.315 0.541 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccccc1O 19419546 WAIYTLSYDIJOPJ-NTEUORMPSA-N 263.297 0.175 50 40 CCGB C[C@@H]1CC(C)(C)O[C@H](c2ccc(B(O)O)cc2)O1 204243870 HOYCJVZQXAHXOS-BXKDBHETSA-N 250.103 0.969 50 40 CCGB COc1ccc(CC(=O)NNC(N)=S)cc1[N+](=O)[O-] 20134139 UAFBBLJSTAPRPB-UHFFFAOYSA-N 284.297 0.010 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1c(C)noc1C 24101130 BERSNHDJBVNJIP-UHFFFAOYSA-N 263.275 0.231 50 40 CCGB CC1(C)C/C(=N\NC(N)=O)C/C(=N/NC(N)=O)C1 25574550 QKVWDSMPDNJTHG-POIBIGJCSA-N 254.294 0.245 50 40 CCGB CN1CCC(=NNC(=O)CC2(C)OCCO2)CC1 408860854 GTKLXHSUOCUMGA-UHFFFAOYSA-N 255.318 0.337 50 40 CCGB COc1ccc(-c2nnsc2C(=O)NN)cc1 225310219 RGTLESKKWBEMAZ-UHFFFAOYSA-N 250.283 0.817 50 40 CCGB CC1(C)O[C@H]2O[C@@H]3[C@H](Br)C(=O)O[C@@H]3[C@H]2O1 5742023 FXPONKIXLZIVOT-UXTLFEIASA-N 279.086 0.552 50 40 CCGB N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(N)=O 1721423 MNGJVNOOHCIHSY-BHQIHCQQSA-N 278.180 0.601 50 40 CCGB O=C(NNC(=O)c1ccc(F)cc1)C(=O)N1CCCCC1 4853749 DXGYROWXSLGEGP-UHFFFAOYSA-N 293.298 0.599 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C\c1ccccc1C(=O)O 4904667 CWGVVAHEGFXLKD-NVNXTCNLSA-N 291.307 0.750 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 7782122 JAHBTMIOJVFASU-CXUHLZMHSA-N 297.742 0.943 50 40 CCGB CN(C)P(=O)(N(C)C)N(C)CC[N+](C)(C)C 104209024 HEQZPBJSOLCLNZ-UHFFFAOYSA-N 251.335 0.856 50 40 CCGB O=C1NN=C[C@H]1C(=O)N/N=C/c1ccccc1C(F)(F)F 100948885 MGXDMAXTCATTGE-RQKSUGJFSA-N 298.224 0.887 50 40 CCGB C/C(=N\NC(N)=O)c1ccc(N2CCOCC2)cc1 5161747 UMMWOQUILXEIQM-XNTDXEJSSA-N 262.313 0.916 50 40 CCGB Cc1ccc(C)c(OCC(=O)NNC(=O)/C=C/C(=O)O)c1 4549148 DNUFCMVGKJKHQP-AATRIKPKSA-N 292.291 0.470 50 40 CCGB COc1ccccc1C(=O)NCCCCCC(=O)NN 3068395 KWDZANYBUJTIIP-UHFFFAOYSA-N 279.340 0.975 50 40 CCGB O=C(NNC(=S)NC(=O)C1CC1)c1ccccc1 6884909 COCWJNBICYVZIY-UHFFFAOYSA-N 263.322 0.732 50 40 CCGB NNC(=O)CCC(=O)N/N=C/c1ccc(Cl)cc1 27986399 YIVWSDKTSXFSJV-VGOFMYFVSA-N 268.704 0.560 50 40 CCGB CCCCOC(=O)[C@H]1N2CCC(CC2)[C@@]1(O)C#N 29748792 NYHNBIBTPQVROL-YPMHNXCESA-N 252.314 0.679 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccccc1OC 3009125 KCJKNIKGOLBWII-OQLLNIDSSA-N 263.297 0.672 50 40 CCGB biogenic Cc1ccsc1C(=O)NNS(=O)(=O)c1cnc[nH]1 71289002 OUSHNJXXTUIHQF-UHFFFAOYSA-N 286.338 0.403 50 40 CCGB CCCS(=O)(=O)NNC(=O)c1ccc(C)cc1 45929226 QJZSOCJCFIAJLD-UHFFFAOYSA-N 256.327 0.969 50 40 CCGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NNC(=O)c1ccccc1 16694057 SFTWQXXCPKUKOQ-WQLSENKSSA-N 296.286 0.301 50 40 CCGB O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] 44845268 LQJZXPWDOIJHGA-HZGVNTEJSA-N 266.213 0.703 50 40 CCGB CSc1ncc(C(=O)NN)c(N2CCCCC2)n1 223461455 XDEITIFCXSDZRQ-UHFFFAOYSA-N 267.358 0.792 50 40 CCGB O=C(NN[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 5898127 LTNJHKSTPIDFJM-QMMMGPOBSA-N 299.308 0.016 50 40 CCGB CCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 17194738 BHSFDBVXFJVKSQ-UHFFFAOYSA-N 260.253 0.094 50 40 CCGB NNC(=O)Cn1c(Br)nc(Cl)c1Cl 2169241 CLSJRUKRVVIGBT-UHFFFAOYSA-N 287.932 0.942 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccc(F)cc1 3009095 CIRMGDJXHXSLTD-OVCLIPMQSA-N 251.261 0.802 50 40 CCGB COc1ccc(CCNC(=O)CCC(=O)NN)cc1OC 4603257 RGDGNAFLKCSOQB-UHFFFAOYSA-N 295.339 0.133 50 40 CCGB CCCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 3886722 VLMQHOJWRWMEDK-MRVPVSSYSA-N 253.751 0.651 50 40 CCGB CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915892 JYLOBXNWGGVGLR-NTEUORMPSA-N 292.295 0.901 50 40 CCGB CC1=C[C@H]2[C@H]3C(=O)OC(=O)[C@H]3[C@H]1[C@H]1[C@H]3C(=O)OC(=O)[C@H]3[C@@H]21 169683654 KLCJBGADIXBIIG-PZDGUICCSA-N 288.255 0.070 50 40 CCGB CC(=O)Nc1nc(C(=O)NNC(=O)C2CC2)cs1 48078898 XTMAEALZXYJCBR-UHFFFAOYSA-N 268.298 0.273 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1ccc(SC)cc1 409129396 FZWAPGNFIDHKLW-RIYZIHGNSA-N 265.338 0.995 50 40 CCGB CCCCC[C@]1(/C=N/NC(N)=O)NC(=O)N(C)C1=O 1692321 ZJRDNPLJJKAVLL-ZTFCMROMSA-N 269.305 0.141 50 40 CCGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C)[C@@H]2C1 20000793 MCYBHRADOGIMPJ-RNCFNFMXSA-N 281.319 0.811 50 40 CCGB CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)Br 234355368 BTPQBHKLNXNWDE-NKWVEPMBSA-N 263.135 0.507 50 40 CCGB COC(=O)C1(c2ccc(B(O)O)c(Cl)c2)CC1 203369443 QVTYMRHZVHVSAB-UHFFFAOYSA-N 254.478 0.224 50 40 CCGB O=C1CS/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)N1 15057160 YAYRIXWTYQAMAP-UHFFFAOYSA-N 280.265 0.459 50 40 CCGB C/C(=N/NC(=O)COc1ccc(C)cc1)C(=O)O 16739841 BVFFAXHCDQGFGU-LCYFTJDESA-N 250.254 0.951 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 7783653 NXCWSRWNEUYXLB-PFMRQGHBSA-N 292.295 0.960 50 40 CCGB O=C(NNC(=O)c1ccco1)c1cccc(-n2cnnn2)c1 22922083 GOVQYNWALOBNLS-UHFFFAOYSA-N 298.262 0.330 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(F)cc1 59386620 DULRECCEWJXLMH-VQGSWFTOSA-N 293.298 0.571 50 40 CCGB CCCCNC(=S)NNC(=O)c1cc(C)on1 8681111 OZAOXMFUOQKQAI-UHFFFAOYSA-N 256.331 0.892 50 40 CCGB CCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F 97377707 PNGPRHLHIVNNBV-UHFFFAOYSA-N 289.213 0.600 50 40 CCGB CN(C(=S)NNC(=O)[C@H]1CCC(=O)N1)c1ccccc1 5549721 XGIUOPBRKSXCJS-SNVBAGLBSA-N 292.364 0.307 50 40 CCGB C/C=C/C1=C(Cl)[C@H](O)[C@@H](Cl)[C@]1(O)C(=O)OC 13411637 NOCLOSXSSSZXNK-RTQUVUSRSA-N 267.108 0.941 50 40 CCGB biogenic,in-vitro O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(O)cc1 7812986 UGZYVINGQXIJFT-GGNJANJASA-N 291.307 0.138 50 40 CCGB CSCC[C@@H]1NC(=O)C(/C(C)=N\NC(N)=O)=C1O 102887610 VJFSXNWFFCYLDO-IKKFZSDSSA-N 272.330 0.094 50 40 CCGB OC[C@H]1COC[C@@H](CI)O1 4722387 GWCBGCQGJPSGBW-RITPCOANSA-N 258.055 0.198 50 40 CCGB O=C(N/N=C/C=N/NC(=O)c1ccncc1)c1ccncc1 13943546 XHXCXDVWEDOXEB-BEQMOXJMSA-N 296.290 0.608 50 40 CCGB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)CCl)C1 2077761 IZUQCDFAYZCLQS-TUAOUCFPSA-N 282.771 0.867 50 40 CCGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Cl)c1O 6958720 QIOHCDSDNAMZGU-GIDUJCDVSA-N 299.714 0.640 50 40 CCGB COCCNC(=S)NNC(=O)c1ccc(OC)cc1 7062570 YDTSFCIWKDYQTQ-UHFFFAOYSA-N 283.353 0.451 50 40 CCGB O=C(O)C[C@@H](NCc1ccco1)C(=O)OCCCl 2247459 KFXZWPRCDRWGHJ-SECBINFHSA-N 275.688 0.995 50 40 CCGB CCOc1ccc(/C=C/C(=O)NNC(N)=S)cc1OC 62714568 PBHSUHNINQBFIR-FNORWQNLSA-N 295.364 0.972 50 40 CCGB CCOC(=O)[C@@H](O)[C@@H](Br)C(=O)OCC 39368379 XVMUUAOSLJEHMN-RITPCOANSA-N 269.091 0.237 50 40 CCGB in-vitro O=C(c1cc(Br)cc(B(O)O)c1)N1CCCC1 642814940 OIGGTNHRKDMFMQ-UHFFFAOYSA-N 297.945 0.365 50 40 CCGB COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)c(OC)c1 5380936 AVVKEYLFOZLJNW-OVCLIPMQSA-N 293.323 0.679 50 40 CCGB CN(C)CCN(/N=C/c1ccc([N+](=O)[O-])o1)C(N)=O 1805 BUNREPSQNJXLTH-KPKJPENVSA-N 269.261 0.464 50 40 CCGB in-man COc1ccc(/C=N/NC(=O)[C@H](C)O)cc1[N+](=O)[O-] 59459784 QHYPHNTYKYJCDB-NYYVKIQXSA-N 267.241 0.434 50 40 CCGB COCC(=O)N/N=c1/sc2ccccc2n1C 104719807 MILPWUQMNVFCBH-ACCUITESSA-N 251.311 0.818 50 40 CCGB COc1ccc(OC)c(/C=C/C(=O)NNC(N)=S)c1 62714622 GIMZXKNWIBCJAV-ZZXKWVIFSA-N 281.337 0.581 50 40 CCGB N#CC1=C(N)O[C@@]2(N3CCOCC3)CCC[C@H]2C1(C#N)C#N 22145662 GSTUHLBAZSGMOM-WFASDCNBSA-N 299.334 0.573 50 40 CCGB N#CC1=C2CCCN2C(=O)C2(CCC2)S1(=O)=O 67340787 CZFCFYWEVPTPKQ-UHFFFAOYSA-N 252.295 0.695 50 40 CCGB Cc1ccsc1C(=O)NNC(=O)c1cnns1 66556833 DITZDLKUWAWYBJ-UHFFFAOYSA-N 268.323 0.983 50 40 CCGB COC1=C(OC)[C@H]([C@H](O)CBr)OC1=O 3843051 SANNCPWAMQKBSD-UHNVWZDZSA-N 267.075 0.172 50 40 CCGB CC(C)(C[C@H](O)C#N)[N+]([O-])=[N+]([O-])C(C)(C)C[C@@H](O)C#N 104317516 ZXDZGTSSYWKDLT-AOOOYVTPSA-N 284.316 0.566 50 40 CCGB CC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 2064483 BRSDEZDLBCPRAQ-UHFFFAOYSA-N 282.281 0.250 50 40 CCGB Cc1nn(C)cc1/C=N/NC(=O)Cn1nnc2ccccc21 124627 RYNDXXMPNOXGFT-VIZOYTHASA-N 297.322 0.624 50 40 CCGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 3059215 ZBLQPQMZCNKCNS-NTEUORMPSA-N 290.279 0.667 50 40 CCGB N#C/C(=C\c1c(O)[nH]c(=O)[nH]c1=O)c1nc2ccccc2[nH]1 5323997 UYMLGBHWCVBVPC-FNORWQNLSA-N 295.258 0.709 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC)cc1 5456200 VRLJXXYCHXYEMA-OQLLNIDSSA-N 263.297 0.672 50 40 CCGB Cc1cc(C(=O)NNC(=O)CCl)ccc1[N+](=O)[O-] 163350 QKXHBCTZGGCIOP-UHFFFAOYSA-N 271.660 0.903 50 40 CCGB O=C1OC(=O)[C@H](Br)C[C@@H]1Br 100210978 SHGKMZHCBCNDKW-WSOKHJQSSA-N 271.892 0.987 50 40 CCGB COCCNC(=O)C(=O)NN=C1CCCCCCC1 58885625 AGAHDFXPWXFVKR-UHFFFAOYSA-N 269.345 0.966 50 40 CCGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)C1CC1 1794768 LCRUOFAWAFRPCD-UHFFFAOYSA-N 275.308 0.963 50 40 CCGB CNC(=O)/C(C#N)=C1\C(=O)Nc2cc3c(cc21)OCCO3 61720167 CEUMRBZLEAMSHU-WQLSENKSSA-N 285.259 0.433 50 40 CCGB COc1cccc2c(=O)ccn(CCC(=O)NN)c12 64873653 CUDKAPQHSSYECM-UHFFFAOYSA-N 261.281 0.390 50 40 CCGB C[C@@H](Cl)C(=O)NCCN1C(=O)CSC1=O 8390432 NFLXOZZMWZLEPI-RXMQYKEDSA-N 250.707 0.425 50 40 CCGB CC(C)(C)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 31673090 XKVNYINYPUIPMA-UHFFFAOYSA-N 298.364 0.897 50 40 CCGB CCOC(=O)C(=O)N/N=C1\C(=O)N(C)c2ccccc21 100518999 ALLJWMGEHMFPPA-UVTDQMKNSA-N 275.264 0.046 50 40 CCGB COc1ccccc1/C=C/C(=O)NNC(N)=S 62714808 OCWLSIYPXGSAFQ-VOTSOKGWSA-N 251.311 0.573 50 40 CCGB Cc1ccccc1C(=O)NNC(=O)CSc1ncn[nH]1 6789561 YMJJTOKOQOWSSQ-UHFFFAOYSA-N 291.336 0.666 50 40 CCGB Cc1n[nH]c2c1[C@@H](c1ccc[n+](C)c1)C(C#N)=C(N)O2 5322401 CHZAIXYNQUDDOE-LBPRGKRZSA-N 268.300 0.761 50 40 CCGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 3019688 JBSDAPGNSUTTPD-SNVBAGLBSA-N 296.286 0.590 50 40 CCGB O=C(NCc1ccncc1)C(=O)NN=C1CCCC1 59459509 NVLQUJIBPGVIKO-UHFFFAOYSA-N 260.297 0.744 50 40 CCGB Cc1ccc(/C=N\NC(=O)CN2CCOCC2)o1 59246396 WZGRZMBAVUXJJO-JYRVWZFOSA-N 251.286 0.370 50 40 CCGB CN(C)/N=N\c1ccccc1C(=O)NNC(=O)CC#N 104189537 MWQAYGMFWIKMFN-VKAVYKQESA-N 274.284 0.922 50 40 CCGB CCCCC(=O)NNC(C)=C1C(=O)N(C)C(=O)N(C)C1=O 5047440 YCUDKIYOCAHQDG-UHFFFAOYSA-N 296.327 0.122 50 40 CCGB O=S1(=O)C[C@H](Cl)[C@H](/N=C/c2ccncc2)C1 5906197 AAAMVMWHAHJLTN-WMSUZZNGSA-N 258.730 0.905 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 6953796 LRQSVHDCXCSICJ-GIDUJCDVSA-N 299.714 0.640 50 40 CCGB Nc1nnc(CC(=O)N/N=C\c2ccc(O)cc2)s1 100507432 WBVCYTVMWLOMNX-MLPAPPSSSA-N 277.309 0.519 50 40 CCGB CS(=O)(=O)NNC(=O)c1sccc1-n1cccc1 1394316 JHKIEXRRAUTELB-UHFFFAOYSA-N 285.350 0.733 50 40 CCGB Cc1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)n(C)n1 2743664 RNWRMBMAIGPSFE-VIFPVBQESA-N 297.384 0.016 50 40 CCGB CC(C)COC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167636 RJFATVAALMAMAX-JGVFFNPUSA-N 285.818 0.938 50 40 CCGB CCC(=O)NNC(=O)CCC(=O)N1C[C@@H](C)C[C@@H](C)C1 199412468 WYXQCMNCKWYDGV-PHIMTYICSA-N 283.372 0.829 50 40 CCGB CC(C)Oc1ccc(S(=O)(=O)[C@@H](C)C(=O)NN)cc1 95929435 FHAGUIWMLNUXEY-VIFPVBQESA-N 286.353 0.626 50 40 CCGB Cn1nc(C(=O)NNC(=O)C2CC2)c2ccccc2c1=O 3621335 PCCLUIFISVMMFA-UHFFFAOYSA-N 286.291 0.105 50 40 CCGB CCCNC(=S)NNC(=O)[C@H]1COc2ccccc2O1 6330166 TUMFPRUIJBDEHC-LLVKDONJSA-N 295.364 0.732 50 40 CCGB CCOC(=O)[C@H]1C=C(C#N)O[C@@H]2[C@@H]1CCN2C(C)=O 4267669 KXQJYPJOYLRICX-GRYCIOLGSA-N 264.281 0.798 50 40 CCGB COc1ccnc(NNC(=O)C[C@@H]2CCCO2)n1 47089265 BECCTWOFBBEPRM-QMMMGPOBSA-N 252.274 0.497 50 40 CCGB CC(C)(C)C(=O)NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12 100396571 DHMPROGTXLPCMP-GMAGZHIISA-N 279.292 0.172 50 40 CCGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)C(N)=O)CCC2 6597274 DLDAYOQDHIDYJM-FOWTUZBSSA-N 259.309 0.945 50 40 CCGB Cn1cccc1/C=N/NC(=O)c1ccc(=O)n(C)c1 13590159 NSLDRCBZPCACHB-RIYZIHGNSA-N 258.281 0.488 50 40 CCGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(N)=O 101884198 ABEMUYVTJNWZHV-LZYBPNLTSA-N 292.295 0.831 50 40 CCGB COCCNC(=O)C(=O)N/N=C/c1cccc(Cl)c1 59515980 JRDWVFGZYGXNQF-OVCLIPMQSA-N 283.715 0.553 50 40 CCGB Cn1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1 132233 FGDIULFOPXENQO-VGOFMYFVSA-N 272.264 0.913 50 40 CCGB O=C1c2ccccc2C(=O)c2c1n[n+]([O-])n2CCCCl 14988553 NKVMQZADYFEORW-UHFFFAOYSA-N 291.694 0.921 50 40 CCGB OB(O)c1c(F)c(F)cc(Br)c1F 675050659 OKHNLGQKHOBDAF-UHFFFAOYSA-N 254.798 0.546 50 40 CCGB COc1ccc(-c2cc(C(=O)NCC(=O)NN)on2)cc1 12371009 OHCNNQOQGZNHOM-UHFFFAOYSA-N 290.279 0.070 50 40 CCGB N#CC1=C(N)N[C@H](Cc2c[nH]c3ccccc23)C1=O 20286244 RCOVMDZKKXMDSE-GFCCVEGCSA-N 252.277 0.945 50 40 CCGB O=C(C[n+]1ccccc1)NNC(=S)Nc1ccccc1 6423186 VVHSTIRLKOWPLJ-UHFFFAOYSA-O 287.368 0.992 50 40 CCGB C=CCc1cccc(/C=N/NC(=O)Cn2cncn2)c1O 547323 QACOEDKVEMDKHG-FRKPEAEDSA-N 285.307 0.863 50 40 CCGB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)C1CC1 40457456 KRYXOJYSNZPZJM-LLVKDONJSA-N 293.323 0.591 50 40 CCGB CC[C@H](C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575423047 NOLYKJVMWITZEX-XLPZGREQSA-N 269.750 0.916 50 40 CCGB N/C(=N\NC(=O)c1cccc(N)c1)c1cccnc1 32501665 IIZWNJWCVKOGBH-UHFFFAOYSA-N 255.281 0.714 50 40 CCGB Nc1nonc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 369039 JXPXBABQQKWZOT-LFYBBSHMSA-N 276.212 0.324 50 40 CCGB COc1cccc(CC(=O)NNC(=O)c2cnccn2)c1 11529845 FHCKLQJQONDNAE-UHFFFAOYSA-N 286.291 0.489 50 40 CCGB O=CNN(C=O)C[C@@H](Br)CBr 5479814 TXTGGXCOWZUUHE-YFKPBYRVSA-N 287.939 0.264 50 40 CCGB O=C(/N=C/[C@@H]1CCCO1)C(=O)NNCc1ccc(F)cc1 408718145 MHOXTFMSNKBQGY-RGZVIEDOSA-N 293.298 0.723 50 40 CCGB C=CCN1C(=O)/C(=C(\C#N)C(N)=O)c2ccccc21 409390112 SIJZTKQKCUGBJY-ZRDIBKRKSA-N 253.261 0.982 50 40 CCGB COc1ccc(C[C@H]2NC(=O)OC2=O)c(OC)c1 1772714930 HDGKWFBYVQRFNI-SECBINFHSA-N 251.238 0.881 50 40 CCGB O=C(OCc1ccccc1)N1CC=C(B(O)O)CC1 169983828 KIZUQTMEQJKQHH-UHFFFAOYSA-N 261.086 0.967 50 40 CCGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cnccn1 260109 FKKYYOCRHBFNMW-UHFFFAOYSA-N 287.235 0.460 50 40 CCGB O=C(O)[C@@H]1[C@H]2O[C@@H]([C@H](Cl)[C@@H]2Cl)[C@@H]1C(=O)O 104156811 XBEBUXJCOSVHIZ-XJQRDMAOSA-N 255.053 0.384 50 40 CCGB Cc1scc(C(=O)NNC(=O)/C=C/C(=O)O)c1C 2783243 TUCLPHUJPQSODS-ONEGZZNKSA-N 268.294 0.767 50 40 CCGB Cc1cc(C)n(CCC(=O)NNC(=S)NC2CC2)n1 2788049 CJXLNHSOVSTZSP-UHFFFAOYSA-N 281.385 0.548 50 40 CCGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccs1 3155576 KWFTYDGRPMABTO-SSDOTTSWSA-N 288.288 0.343 50 40 CCGB Cn1cnnc1SCc1ccc(C(=O)NN)cc1 3242746 PUPUBVKMEUONCB-UHFFFAOYSA-N 263.326 0.711 50 40 CCGB COc1cccc(/C=N/NC(=O)[C@H](C)O)c1OC 59515375 YQQMGILYPCUOKJ-MTDSNMTDSA-N 252.270 0.535 50 40 CCGB COC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1OC 96013253 DGTIOTYGVJCZAV-UHFFFAOYSA-N 281.268 0.329 50 40 CCGB Cc1cc(C)nc(NNC(=O)CCn2cncn2)n1 23460896 LVDMDKNUDIVQAR-UHFFFAOYSA-N 261.289 0.218 50 40 CCGB COC(=O)CN(CC(=O)OC)NC(=O)Nc1ccccc1 2267972 DRCKPNRAHHWBFK-UHFFFAOYSA-N 295.295 0.371 50 40 CCGB Cc1cc(B(O)O)cnc1-c1ncn([C@H]2CCCCO2)n1 642882594 QJBUOGJJMLOPEK-LLVKDONJSA-N 288.116 0.027 50 40 CCGB CC/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1C 63656 NNXLCMRCOCEHOQ-LFYBBSHMSA-N 278.276 0.057 50 40 CCGB Cn1c(Cl)nc2c1c(=O)n(CCCl)c(=O)n2C 497622 VDNBWHJJVQBYNV-UHFFFAOYSA-N 277.111 0.326 50 40 CCGB COCCNC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 7062673 FQIUSOXLNJCEJF-UHFFFAOYSA-N 298.324 0.350 50 40 CCGB Cc1nc(S)sc1CC(=O)NNC(=O)C1CC1 53565205 ITVCHJQCLYVPBB-UHFFFAOYSA-N 271.367 0.840 50 40 CCGB CC1(CC(=O)N/N=C/c2ccc(O)cc2O)OCCO1 5482276 REEYAKNAUFRAOC-RIYZIHGNSA-N 280.280 0.701 50 40 CCGB CNC(=S)NNC(=O)COc1cc(C)cc(C)c1 6527774 SBGSOSMTTDAKCG-UHFFFAOYSA-N 267.354 0.807 50 40 CCGB O=C(NNC(=S)NCCCO)c1ccccc1 94992736 MBPCUHNWLCTIGE-UHFFFAOYSA-N 253.327 0.178 50 40 CCGB O=NN(CCCl)C(=O)NCCc1cccc[n+]1[O-] 5640486 VBSODNNCLUFXBI-UHFFFAOYSA-N 272.692 0.794 50 40 CCGB COc1ccc(CC(=O)NNC(N)=S)c(OC)c1 20134115 LSPRBADUZKCQFK-UHFFFAOYSA-N 269.326 0.111 50 40 CCGB NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22124552 CXYYRCSSYIQLTA-UHFFFAOYSA-N 250.258 0.799 50 40 CCGB O=C(NNc1ncnc2[nH]cnc12)c1cccc(O)c1 16758313 JPHNPUFMUFTDAM-UHFFFAOYSA-N 270.252 0.815 50 40 CCGB CC[C@@H]1C/C(=N/NC(N)=O)[C@@H](NNC(N)=O)[C@@H](C)C1 36378829 JEZGJNFSDKQEDR-DHHNDCTKSA-N 270.337 0.008 50 40 CCGB CC1=CC2(C)[C@H]3C(=O)OC(=O)[C@H]3C1[C@H]1C(=O)OC(=O)[C@H]12 141758483 VPEBWHJXHKKKRE-OERKPHKISA-N 276.244 0.214 50 40 CCGB NC(=O)NC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2392037 ODGQIWFOJMUAHT-VZUCSPMQSA-N 251.202 0.307 50 40 CCGB C[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NN)c2N1 2568984 UMVGQLFJWZONGT-UJURSFKZSA-N 263.223 0.794 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 6879437 LWWOIGPFXNZDNR-OVCLIPMQSA-N 279.296 0.377 50 40 CCGB O=C(NCCCl)c1c(O)c2c([nH]c1=O)CCCC2 8922764 YTJNFNZVRFDAFI-UHFFFAOYSA-N 270.716 0.928 50 40 CCGB COC(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1 8197944 WJUUNPHLPNRSEC-UHFFFAOYSA-N 299.286 0.943 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 3089008 SHTNTHHNSAYBQM-VGOFMYFVSA-N 277.280 0.360 50 40 CCGB CC(C)(C)OC(=O)N1CCc2ccc(B(O)O)cc2C1 203594057 CXTSAANSISVIEA-UHFFFAOYSA-N 277.129 0.660 50 40 CCGB CC(=O)O[C@H]1CO[C@H](Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4991113 JWDUFIUUDGFMTM-ZDCRXTMVSA-N 294.687 0.377 50 40 CCGB O=C(N[C@H]1CCS(=O)(=O)C1)OC[C@H](Cl)CCl 59568569 MSJOMUJVNVDTPQ-RQJHMYQMSA-N 290.168 0.746 50 40 CCGB CCOc1ccc(-c2nnc(CC(=O)NN)o2)cc1 67172677 HWNFZZPXABPIOJ-UHFFFAOYSA-N 262.269 0.668 50 40 CCGB Cc1nc(C(=O)NNC(N)=S)c(C(F)(F)F)o1 2577957 FLJTZSAIXBAUJJ-UHFFFAOYSA-N 268.220 0.480 50 40 CCGB COC(=O)[C@H]1C[C@H]2CC=C(C#N)O[C@@H]2N1C(C)=O 4267950 MBLNUCGRWVQNNA-IEBDPFPHSA-N 250.254 0.550 50 40 CCGB COc1ccccc1/C=N/NC(=O)Cc1nnc(N)s1 344163 LJKAITCDKXLANM-VGOFMYFVSA-N 291.336 0.822 50 40 CCGB COC(=O)NCC(=O)N/N=c1/sc2ccccc2n1C 102140667 DKCALPCRRHOZPH-RVDMUPIBSA-N 294.336 0.528 50 40 CCGB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OCCCl 2027546 TUNDAUAIKBZUCT-UHFFFAOYSA-N 296.710 0.862 50 40 CCGB C=C(C)C(=O)NNS(=O)(=O)c1ccc(C)cc1 2963858 IEDMXLMZVBJRND-UHFFFAOYSA-N 254.311 0.881 50 40 CCGB CNC(=S)NNC(=O)c1nn(-c2ccccc2)nc1C 3136274 FEVIBKGGVRGCBT-UHFFFAOYSA-N 290.352 0.314 50 40 CCGB COC(=O)N/N=C(\C)c1ccc(S(N)(=O)=O)cc1 58632652 MOVYRROMFSSRSQ-KPKJPENVSA-N 271.298 0.414 50 40 CCGB CC1CCC2(CC1)NC(=O)N(NC(=O)CCl)C2=O 3886647 WBYRTEWWUGFVLP-UHFFFAOYSA-N 273.720 0.757 50 40 CCGB Cc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1 21632766 WTDVGUMTVWVNIO-UHFFFAOYSA-N 293.348 0.957 50 40 CCGB C[C@H](C(=O)NN)S(=O)(=O)c1ccc2ccccc2c1 95929497 LQLRYHMNUWAHJM-SECBINFHSA-N 278.333 0.992 50 40 CCGB COCCNC(=S)NNC(=O)c1ccccc1F 7062700 AUDULYOQKQJBSD-UHFFFAOYSA-N 271.317 0.581 50 40 CCGB COCC(=O)NNC(=S)Nc1ccc2c(c1)OCO2 6397536 LCZXBLATAOSSAP-UHFFFAOYSA-N 283.309 0.379 50 40 CCGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1cccs1 100151601 GZZFGEHRFLLXSE-TZZQWBKVSA-N 264.310 0.710 50 40 CCGB COC(=O)[C@](CCl)(NC(C)=O)SC(C)=O 2031718 AJUDHPVJFUCOHK-MRVPVSSYSA-N 253.707 0.510 50 40 CCGB O=C(O)[C@@H]1[C@H]2C[C@H]3[C@@H](OC(=O)[C@@H]13)[C@H]2Br 100002623 YAUZWMLHLWHCLG-JWCLTRPWSA-N 261.071 0.642 50 40 CCGB in-vitro NC(=S)NNC(=O)[C@@H]1CC(=O)OC12CCCCC2 4412098 LREKKJUEADKUPV-ZETCQYMHSA-N 271.342 0.117 50 40 CCGB COC(=O)C1=CC(=O)O[C@]1(OO)c1ccccc1 73329584 BCILQSGYQQGGLU-LBPRGKRZSA-N 250.206 0.985 50 40 CCGB CCOC(=O)/C(C#N)=C\C=C1/C=CN=C2NCCN21 5840633 KYCCQEPHQYGGBL-ABRIWZISSA-N 258.281 0.672 50 40 CCGB Cc1[nH]c(=O)[nH]c(=O)c1CN(CCCl)CCCl 1688724 QLCSQGFYPNEMBN-UHFFFAOYSA-N 280.155 0.651 50 40 CCGB CO[C@H]1O[C@H](CNCCCl)[C@@H]2OC(C)(C)O[C@@H]12 4720987 YXGBRBCOIUNIDV-RGOKHQFPSA-N 265.737 0.706 50 40 CCGB Cc1nn(C)c(C(=O)NNC(=S)NC2CC2)c1Cl 2782374 HMELCMOOFJJXFA-UHFFFAOYSA-N 287.776 0.653 50 40 CCGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccnc1 59516133 OMTBZBYUQVFWJN-XDHOZWIPSA-N 296.330 0.891 50 40 CCGB NC(=S)N/N=C1\C(=O)N(CCCl)c2ccccc21 100487818 SIUYEAIHJOLSGZ-ZROIWOOFSA-N 282.756 0.809 50 40 CCGB Cc1cc(B(O)O)cnc1-c1ncn([C@@H]2CCCCO2)n1 642882595 QJBUOGJJMLOPEK-NSHDSACASA-N 288.116 0.027 50 40 CCGB ClC1C2(OCCO2)[C@@H]2CC[C@H](O2)C12OCCO2 101044530 VPQOQOGMDITTHM-YUMQZZPRSA-N 262.689 0.641 50 40 CCGB COc1cccc(/C=N/NC(=O)c2nonc2N)c1OC 408735896 YBFXHAPRTCYIGJ-MKMNVTDBSA-N 291.267 0.433 50 40 CCGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)C(C)(C)O 32578399 ACTYZYQETKNGQK-OVCLIPMQSA-N 296.323 0.933 50 40 CCGB CC(C)CCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O 72415060 QYNWWBRBCFZXSO-UHFFFAOYSA-N 273.720 0.586 50 40 CCGB O=C(NNC(=S)Nc1ccccc1)c1ncn[nH]1 5338399 YFRLHVUPEVVHJX-UHFFFAOYSA-N 262.298 0.436 50 40 CCGB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN 4069884 YHQMTTIZEZVLEN-MTXFGMJDSA-N 265.357 0.697 50 40 CCGB CC(C)(O)C(=O)N/N=C/c1ccc2c(c1)OCO2 32578408 CWJJEBWTGTUKSW-AWNIVKPZSA-N 250.254 0.636 50 40 CCGB CCC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 18276123 FTJBBUPVSROXSG-UHFFFAOYSA-N 275.264 0.405 50 40 CCGB COC(=O)[C@@H]1CCCN1CC(=O)NCCCCl 575424253 XSSDYGQPUHJHSZ-VIFPVBQESA-N 262.737 0.369 50 40 CCGB N/C(=N\[N+](=O)[O-])Nc1ccc(NC(=O)CCl)cc1 18190375 KRQKBKBZKMCFOQ-UHFFFAOYSA-N 271.664 0.782 50 40 CCGB COC1=C(OC)[C@@H]([C@@H](O)CBr)OC1=O 3843052 SANNCPWAMQKBSD-CRCLSJGQSA-N 267.075 0.172 50 40 CCGB CC(=O)O[C@H]1[C@H]2C(=O)OC(=O)[C@@H]2[C@@H]2CCC[C@]23O[C@H]13 104275346 WZSJQZZTACNZPV-IASGVVQQSA-N 266.249 0.185 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccncc1 4116055 QTGUDZVJIFMVMO-VCHYOVAHSA-N 283.291 0.243 50 40 CCGB NNC(=O)c1ccn2c(Br)cnc2c1 95215781 RDDPPYAFZKDHNQ-UHFFFAOYSA-N 255.075 0.700 50 40 CCGB CCCc1nnc(SCC(=O)NNC(C)=O)n1CC 1355944 XYKYJJWOGYCAJO-UHFFFAOYSA-N 285.373 0.510 50 40 CCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccco1 4939431 PJHJJJSUCMMJJU-LLVKDONJSA-N 286.243 0.943 50 40 CCGB CN(C(=O)CBr)[C@H]1CC[S@](=N)(=O)C1 725352862 ZYFMNPVKTQDKIC-IYQDAUBNSA-N 269.164 0.659 50 40 CCGB CCCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 6647818 MHIBBDSAUZZGRZ-CXUHLZMHSA-N 293.323 0.767 50 40 CCGB COc1ccc(CCNC(=S)NNC(C)=O)cc1 7983367 TZGJXZCNPJATAQ-UHFFFAOYSA-N 267.354 0.753 50 40 CCGB CC[C@@H]1C/C(=N/NC(N)=O)[C@H](NNC(N)=O)[C@H](C)C1 25626997 JEZGJNFSDKQEDR-DJJFXKABSA-N 270.337 0.008 50 40 CCGB N/C(=N\NC(=O)Cn1ccnc1)c1ccc([N+](=O)[O-])cc1 65090616 POMJUMGSJZUXPU-UHFFFAOYSA-N 288.267 0.228 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)Nc2nonc2N)cc1 347731 BTJDHQGIQZTDQI-VGOFMYFVSA-N 289.299 0.873 50 40 CCGB NNC(=O)CCCN1CCN(c2ccc(F)cc2)CC1 22123924 VQJUOACETLFXJO-UHFFFAOYSA-N 280.347 0.718 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1cccc(O)c1 59515999 ISGPJQFCAAPFAK-RIYZIHGNSA-N 263.297 0.757 50 40 CCGB C/C(=N\NC(=O)CN1CCOCC1)c1cccs1 23382739 MYDCRUHBGXIXEM-JLHYYAGUSA-N 267.354 0.921 50 40 CCGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccccc1 6426749 QOSUTCVJSJSYLS-UHFFFAOYSA-N 287.275 0.471 50 40 CCGB COc1ccc(-c2nnc(CC(=O)NN)o2)cc1OC 67172672 RPRIGLSLEUHSBX-UHFFFAOYSA-N 278.268 0.286 50 40 CCGB COCCNC(=S)NNC(=O)c1cccc(OC)c1 42083669 ZQFALVHMAMUBNF-UHFFFAOYSA-N 283.353 0.451 50 40 CCGB COc1cc(/C=N/NC(=O)c2nonc2C)ccc1O 196493 TXCPHLKQHIHYTK-AWNIVKPZSA-N 276.252 0.856 50 40 CCGB NC(=O)[C@@H]1C[C@H](I)[C@H]2C[C@@H]1C(=O)O2 5083223 ZKESUOLCYWKBII-DPYQTVNSSA-N 295.076 0.227 50 40 CCGB O=C(N/N=C\c1ccco1)C(=O)N/N=C\c1ccco1 17314670 DBUJHALECBISBY-PVRNWPCDSA-N 274.236 0.473 50 40 CCGB O=C(CCN1CCOCC1)N/N=C/c1cccnc1 22553893 LHPNKUIKNGKNOS-RVDMUPIBSA-N 262.313 0.254 50 40 CCGB O=C(CCOCC(F)(F)F)NNC(=O)c1ccccn1 32796695 NIASAYSUXPXZCT-UHFFFAOYSA-N 291.229 0.812 50 40 CCGB Cn1cc(N2CCC[C@H](Br)C2=O)nn1 72221031 NKOAFNWXRHFOEB-LURJTMIESA-N 259.107 0.705 50 40 CCGB O=NN(CCCl)C(=O)NC1[C@H](O)CCC[C@H]1O 5134603 BQIFCAGMUAMYDV-RNFRBKRXSA-N 265.697 0.193 50 40 CCGB O=C(NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1ccco1 17022823 AEMZZVXFXNECQK-OEIWMXHLSA-N 292.291 0.788 50 40 CCGB NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O 2650762 BOXSGZRAFPBQHN-UHFFFAOYSA-N 252.661 0.835 50 40 CCGB O=C(NNC(=O)c1cc[n+]([O-])cc1)NC1CCCCC1 3156592 NCUOTZWMZSTZHE-UHFFFAOYSA-N 278.312 0.597 50 40 CCGB CCc1nnc(NNC(=O)c2cccc(OC)c2)nc1O 28561609 IQHVPLAKNKKNNJ-UHFFFAOYSA-N 289.295 0.905 50 40 CCGB CC(C)c1ccc(S(=O)(=O)[C@@H](C)C(=O)NN)cc1 95929490 UMXPZTGGIVADQE-VIFPVBQESA-N 270.354 0.962 50 40 CCGB CCOC(=O)N(C)CC(=O)NNC(=O)OC(C)(C)C 61219531 ZVMMIVMJBVNIRB-UHFFFAOYSA-N 275.305 0.631 50 40 CCGB O=C(CN1C(=O)CSC1=O)NNC(=O)c1ccccc1 15057094 NMGNSKJGMZTSKV-UHFFFAOYSA-N 293.304 0.143 50 40 CCGB C/C(=N\NC(=O)Cc1c(O)n[nH]c1C)c1cccnc1 56183 FMTHYMOVDJOYBS-OVCLIPMQSA-N 273.296 0.902 50 40 CCGB COc1cc(N2CCCC2)c([N+](=O)[O-])cc1C(=O)NN 45957659 AZPSPADXLHUKPL-UHFFFAOYSA-N 280.284 0.807 50 40 CCGB COc1cc(C[C@@H]2CC(C(=O)NN)=NO2)cc2c1OCO2 12418913 JZNNFLSJLRLHBK-MRVPVSSYSA-N 293.279 0.101 50 40 CCGB C/C(=C(\C#N)C(=O)NCCCN1CCOCC1)N(C)C 20029129 SHPVAPAZMKFMLL-SEYXRHQNSA-N 280.372 0.184 50 40 CCGB N#Cc1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1 66407 CMWCLBFRGWTTKB-VIZOYTHASA-N 286.320 0.685 50 40 CCGB C=CCNC(=S)NNC(=O)[C@H](C)CN1CCCCC1 4951203 AXYHWRKEOCATCL-LLVKDONJSA-N 284.429 0.790 50 40 CCGB COc1ccc(C(=O)NNC(=O)c2nccnc2N)cc1 12734481 SRQDLVXPTQGIKY-UHFFFAOYSA-N 287.279 0.142 50 40 CCGB O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2)C1 4813905 XZIIVNDCIBEDQR-UHFFFAOYSA-N 288.756 0.716 50 40 CCGB C[C@H]1Oc2ccc(Cl)cc2N(CC(=O)NN)C1=O 19988065 SGMAZGUTWRBKKZ-ZCFIWIBFSA-N 269.688 0.444 50 40 CCGB COC(=O)[C@H]1C[C@@H]2CC=C(C#N)O[C@@H]2N1C(C)=O 4267953 MBLNUCGRWVQNNA-GDPRMGEGSA-N 250.254 0.550 50 40 CCGB NNC(=O)c1ncn(C[C@H](O)c2cccc(Cl)c2)n1 98210963 JYTLOJPCDIZIPO-VIFPVBQESA-N 281.703 0.269 50 40 CCGB CCC[C@@H](C(=O)NN)N1CCN(c2ccccc2)CC1 22123652 SIRKQWKQUFUCJM-AWEZNQCLSA-N 276.384 0.967 50 40 CCGB CC(=O)O[C@@H]1CO[C@@H](Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4991114 JWDUFIUUDGFMTM-GWOFURMSSA-N 294.687 0.377 50 40 CCGB NC(=O)CCSC(=S)NNC(=O)c1ccccc1 16778925 RUXTZRVQOSTKRJ-UHFFFAOYSA-N 283.378 0.815 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccccc1[N+](=O)[O-] 20248036 AZCINIOXAPHRAS-NTEUORMPSA-N 292.295 0.377 50 40 CCGB CS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccoc2)C1 17024776 MMPNWIMRWVNPJW-DELQEKLWSA-N 299.352 0.401 50 40 CCGB N/C(=N\NC(=O)c1ccc(O)cc1)c1ccncc1 32501661 QTOCKWJQJSHZGH-UHFFFAOYSA-N 256.265 0.838 50 40 CCGB NC(=O)N/N=C1/CC[C@H]2C[C@@H]1CC/C2=N\NC(N)=O 4529821 BUGBBBRCRQAXGR-MAMIJTCZSA-N 266.305 0.245 50 40 CCGB CCNC(=S)NNC(=O)Cc1ccc(OC)cc1 6594470 ANESRFHZNXZGRX-UHFFFAOYSA-N 267.354 0.753 50 40 CCGB C[Si]1(C)OCCOCCOCCOCCO1 195751416 JIOBGPYSBDFDAB-UHFFFAOYSA-N 250.367 0.785 50 40 CCGB NNC(=O)Cc1cnc(C(Cl)(Cl)Cl)[nH]c1=O 225011762 OBCVRJWJGZVOHE-UHFFFAOYSA-N 285.518 0.129 50 40 CCGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2ccncc2)C(=O)O1 135720797 QNSFUKYGTGOVNX-FMIVXFBMSA-N 287.275 0.620 50 40 CCGB CN1C(=O)C[C@@H](NNC(=O)c2ccc(Cl)cc2)C1=O 18137052 KSMUNFSMIRURSB-SECBINFHSA-N 281.699 0.332 50 40 CCGB O=C(O)[C@H]1[C@H]2O[C@@H]([C@@H](Cl)[C@H]2Cl)[C@@H]1C(=O)O 104156807 XBEBUXJCOSVHIZ-XCMZKKERSA-N 255.053 0.384 50 40 CCGB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CCl)cc21 408535407 SOWOZADBKPDLNT-UHFFFAOYSA-N 298.686 0.963 50 40 CCGB CCOC(=O)NNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 23241918 BMKBMUGESKHSGO-KCJUWKMLSA-N 280.280 0.992 50 40 CCGB CCOC(=O)Cc1nnc(NC(=O)CCl)s1 32136914 XXTFFKWINXBCCY-UHFFFAOYSA-N 263.706 0.821 50 40 CCGB O=C(NNS(=O)(=O)c1ccccc1)[C@H]1CCCCCN1 217456707 NXCCIHWMDIDSLY-GFCCVEGCSA-N 297.380 0.528 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)c2cnc[nH]c2=O)cc1 3124134 MZAQEXYOBQCMSA-REZTVBANSA-N 285.307 0.600 50 40 CCGB CCOC(=O)CC/C(C)=N\NC(=O)c1ccc[n+](C)c1 17041131 DKGRACSGCZSXSL-PTNGSMBKSA-O 278.332 0.960 50 40 CCGB CCO[C@H]1OC(C(N)=O)=CC[C@H]1Br 3846092 ZHBWFGRERMQGJI-XRGYYRRGSA-N 250.092 0.902 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1cccc(Cl)c1 59515977 AZLJVFDHWJGHOX-CXUHLZMHSA-N 297.742 0.943 50 40 CCGB O=C(N/N=C/c1cccnc1)C(=O)NC1CCCC1 59516128 RUHIFVNDNINYPQ-OQLLNIDSSA-N 260.297 0.591 50 40 CCGB CC(C)(C)OC(=O)N1CC[C@]2(C1)NC(=O)OC2=O 1772714695 JHJMNXZRCPHGDA-LLVKDONJSA-N 256.258 0.632 50 40 CCGB O=C(Cc1ccccn1)NNC(=O)c1ccccn1 104442371 DFSWICRANIHCFE-UHFFFAOYSA-N 256.265 0.480 50 40 CCGB NNC(=O)c1ccc[n+](CC(=O)c2ccccc2)c1 3130263 LOZMDNFAPSVRHH-UHFFFAOYSA-O 256.285 0.461 50 40 CCGB CCNC(=S)NNC(=O)c1cc(C(F)(F)F)n(C)n1 2739312 SIZBWTMHZFYQKP-UHFFFAOYSA-N 295.290 0.568 50 40 CCGB O=C(COC(=O)C1CC1)NNC(=O)c1ccccc1 3290573 GMLUDXLXUYGRER-UHFFFAOYSA-N 262.265 0.401 50 40 CCGB CCn1cc(C(=O)NN)c(=O)c2cc(OC)ccc21 223455520 JVHRREKULZNZQL-UHFFFAOYSA-N 261.281 0.634 50 40 CCGB Cn1cc2cc(C(F)(F)C(=O)NN)c(F)cc2n1 146300909 YYSVOCOHDBZGLX-UHFFFAOYSA-N 258.203 0.794 50 40 CCGB Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NN 32919119 NTQYJMHKEHFBJK-UHFFFAOYSA-N 264.285 0.557 50 40 CCGB CS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccoc2)C1 17024774 MMPNWIMRWVNPJW-ZTFCMROMSA-N 299.352 0.401 50 40 CCGB Cc1cccc(C(=O)NNC(=O)c2cc(O)nc(O)n2)c1 408718153 MOPOBVWNEPCWRC-UHFFFAOYSA-N 288.263 0.271 50 40 CCGB COc1cc2c(cc1OC)[C@@H](C(=O)NN)C(C)=NN=C2C 492859 HLPWDEYOCXABBO-ZDUSSCGKSA-N 290.323 0.976 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3009119 YMLUXXVPTLCYQF-RIYZIHGNSA-N 278.268 0.571 50 40 CCGB NC(=S)NNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 62715583 QHRCFLUOMDNJNY-SNAWJCMRSA-N 266.282 0.472 50 40 CCGB CCN1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101315072 UJZJLABPBMJZKV-NHCLPEMUSA-N 296.801 0.342 50 40 CCGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccn[nH]1 5819087 BIXZHIZRFCGSGK-VGOFMYFVSA-N 258.237 0.872 50 40 CCGB COc1ccc(/C=N/NC(=O)c2cnc[nH]c2=O)cc1 3124130 OWGFICDLZLDORZ-OMCISZLKSA-N 272.264 0.542 50 40 CCGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(N)=O 101547077 ANYZXBGMYGNNNQ-VIZOYTHASA-N 278.268 0.788 50 40 CCGB Cc1nn([C@H](C)C(=O)NN)c(C)c1Br 2537640 AWSMUWCXUUXIQQ-ZCFIWIBFSA-N 261.123 0.813 50 40 CCGB CCCCNC(=S)NNC(=O)c1nn(C)cc1Cl 8685727 KXWYYJUUFIKNSL-UHFFFAOYSA-N 289.792 0.983 50 40 CCGB COc1cc2c(=O)c(C(=O)NN)c[nH]c2cc1Cl 64874598 SAHWYMPFJJQWKF-UHFFFAOYSA-N 267.672 0.794 50 40 CCGB COc1ccc(CC(=O)NNC(N)=S)cc1OC 15423289 LWIAEEILIIHAEY-UHFFFAOYSA-N 269.326 0.111 50 40 CCGB N#Cc1nc2c(nc1C#N)-c1ccccc1/C2=N\NC(N)=O 100808744 UCYRKNOXLAXKTG-UDWIEESQSA-N 289.258 0.621 50 40 CCGB COCc1[nH]nc2c1[C@@]1(CCO[C@H]1C)C(C#N)=C(N)O2 4452998 GYHPTVOZHOBPCC-WPPNPWJKSA-N 276.296 0.689 50 40 CCGB COc1cc2c(=O)ccn(CCC(=O)NN)c2cc1OC 64873625 QYTAFZCOMHOGJF-UHFFFAOYSA-N 291.307 0.399 50 40 CCGB N#C/C(=C\Nc1ccc(C(=O)O)cc1)C(=O)NCCO 16764090 ISTJVAYTDZZLCF-CSKARUKUSA-N 275.264 0.313 50 40 CCGB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN 3069848 PCUPCCRXJHKFCS-GFCCVEGCSA-N 260.297 0.205 50 40 CCGB CCCCNC(=S)NNC(=O)CCn1ccc(C)n1 2794197 NQQOEMYDNZOFJI-UHFFFAOYSA-N 283.401 0.877 50 40 CCGB Cc1cc(NC(=O)CCl)n([C@H]2CCS(=O)(=O)C2)n1 12505045 WITNVVASPPNSHW-QMMMGPOBSA-N 291.760 0.728 50 40 CCGB COC(=O)C1=C[C@@H]2[C@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 100818402 RLOCDRQSSNUEDF-RYDHBJCESA-N 260.245 0.463 50 40 CCGB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C(=O)NN 2359605 HJGNIRCGZLVKBA-UHFFFAOYSA-N 290.279 0.191 50 40 CCGB NNC(=O)CCNC(=O)c1ccc(Br)cc1 85400279 GKGZEDWQXRASLT-UHFFFAOYSA-N 286.129 0.559 50 40 CCGB CCCCCC[C@@]1(/C=N\NC(N)=O)NC(=O)NC1=O 17284540 HYUOSUMGCNCBQN-HKMIMPICSA-N 269.305 0.189 50 40 CCGB CCOC(=O)CCC(=O)NNC(=O)c1cccs1 2696501 NAIMCCGZUZFUHB-UHFFFAOYSA-N 270.310 0.852 50 40 CCGB O[C@@H](CCl)COCC#CC#CCOC[C@@H](O)CCl 3040321 NYSTVRRHVZDFSN-RYUDHWBXSA-N 295.162 0.226 50 40 CCGB O=C(NNC(=O)c1cnccn1)C1=Cc2ccccc2OC1 12842163 PNAUPKFZAZZACC-UHFFFAOYSA-N 296.286 0.714 50 40 CCGB CCc1nnsc1C(=O)NNC(=O)c1cccn1C 61225097 HQBVRPCKHSTAQX-UHFFFAOYSA-N 279.325 0.514 50 40 CCGB Nc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575422635 VRAFDYXKHNXVPF-MNOVXSKESA-N 274.773 0.763 50 40 CCGB CCOC(=O)[C@@]12C=C[C@H](CC1)[C@@H]1C(=O)OC(=O)[C@@H]12 169797498 YUHKVFTVEJNHJO-VXFNFUGZSA-N 250.250 0.832 50 40 CCGB N=C(CSS(=O)(=O)O)NCCc1c[nH]c(=S)[nH]1 1731876 RCPDJEZBCGSLOU-UHFFFAOYSA-N 296.399 0.718 50 40 CCGB C[C@@H](Oc1ccc(/C=N/NC(N)=O)cc1)C(=O)O 33328292 IWRIXBABKPESRI-NRLRWNIESA-N 251.242 0.541 50 40 CCGB CC(C)C(=O)N1C[C@@H](C(=O)NN)Oc2ccccc21 225328830 DZYQKSICBZJHRW-NSHDSACASA-N 263.297 0.427 50 40 CCGB CC12CN3CCN(CC(C3)/C1=N\NC(=O)c1ccncc1)C2 95483281 ZHHOBFBPINDCCJ-NBVRZTHBSA-N 299.378 0.435 50 40 CCGB CCCC(=O)NC(=S)NNC(=O)c1ccncc1 5456363 DCLBKDRQAZJYRU-UHFFFAOYSA-N 266.326 0.517 50 40 CCGB COc1cc(CCC(=O)NN)cc(OC)c1OC 109892 BLDQAECFPICFAM-UHFFFAOYSA-N 254.286 0.635 50 40 CCGB Cc1[nH]c2ccccc2c1C[C@@H](CC(=O)NN)C(=O)NN 1679238 CFMJZNALNVQDHX-VIFPVBQESA-N 289.339 0.005 50 40 CCGB Cn1nnnc1P(=O)(c1ccccc1)c1ccccc1 8015453 UQGKWSSDTKGBBF-UHFFFAOYSA-N 284.259 0.850 50 40 CCGB CCNC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 12412056 PWMOKHMGTMYXNT-UHFFFAOYSA-N 268.298 0.724 50 40 CCGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1cccnc1 1856758 CJTVGYHSLPCLBE-NTUHNPAUSA-N 295.276 0.685 50 40 CCGB CCOC(=O)/C(N)=N\NC(=O)CC1CCCCC1 144111096 KTICBLCZMBJYGR-UHFFFAOYSA-N 255.318 0.908 50 40 CCGB O=C1NCCC[C@@H]1C(=O)N/N=C/c1ccc(F)cc1 59461524 ATGCPQMYVLGDMZ-AXLKIAQESA-N 263.272 0.802 50 40 CCGB CCOC(=O)C/C(C)=N/NC(=O)CN1CCCCC1 408719914 PPEYYSAZHBLUIX-SDNWHVSQSA-N 269.345 0.918 50 40 CCGB O=C(NNC(=O)c1[nH]nc2c1CCCC2)c1ccc[nH]1 84338979 KDGKHUNJIRPSEB-UHFFFAOYSA-N 273.296 0.691 50 40 CCGB O=C1N=c2ccccc2=C1NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 135722667 VLOVJSOEYOLNPY-NHCYSSNCSA-N 283.331 0.012 50 40 CCGB N#CCC(=O)N/N=C/c1cn(CC(N)=O)c2ccccc12 6080238 SKZDNDCJXSMSCK-REZTVBANSA-N 283.291 0.490 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(F)cc1 5511659 CLSDFRICGLUTPX-LICLKQGHSA-N 295.314 0.819 50 40 CCGB O=C(N/N=C1/C(=O)Nc2ccccc21)C(=O)N1CCCC1 5685291 HJGSMBPNNUJZQK-UHFFFAOYSA-N 286.291 0.081 50 40 CCGB O=C1CS/C(=N/NC(=O)c2ccccc2O)N1 6584120 ZXRLWMKNNNFSMF-UHFFFAOYSA-N 251.267 0.256 50 40 CCGB CC(=O)NNC(=O)[C@H](C)NC(=O)Nc1ccccc1 23198969 UKOZLLXRTYRMEH-QMMMGPOBSA-N 264.285 0.364 50 40 CCGB O=C(NNC(=O)C1(c2ccccc2)CC1)c1cnccn1 44895587 CKDUACQVFOTGEM-UHFFFAOYSA-N 282.303 0.969 50 40 CCGB CCOC(=O)/C=C/C(=O)NNC(=O)C1CCCCC1 5868585 FGMZTTQEFQHZHO-CMDGGOBGSA-N 268.313 0.833 50 40 CCGB CCOC(=O)c1c(C)[nH]c(/C=N\NC(N)=O)c1C 17146870 VVMLLAJGEIUXRR-ACAGNQJTSA-N 252.274 0.810 50 40 CCGB CN1CCC(=NNC(=O)c2ccc(O)cc2O)CC1 55054009 MFUYAUSCSGYONE-UHFFFAOYSA-N 263.297 0.909 50 40 CCGB Cc1ccc(-n2nc(C(=O)NN)c(C)c(C#N)c2=O)cc1 563209 DIKYAXQHKVKGPR-UHFFFAOYSA-N 283.291 0.325 50 40 CCGB CCC(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 2064476 RPWVJWOKSVSDBW-UHFFFAOYSA-N 296.308 0.640 50 40 CCGB Cc1cc(NC(=O)CCl)n([C@@H]2CCS(=O)(=O)C2)n1 12505044 WITNVVASPPNSHW-MRVPVSSYSA-N 291.760 0.728 50 40 CCGB O=C(NNC(=O)C1CC1)c1csc(N2CCOCC2)n1 14084915 WRIQCBUZMRKTON-UHFFFAOYSA-N 296.352 0.151 50 40 CCGB N#CCC(=O)N/N=C/c1ccc(N2CCOCC2)cc1 222462504 WZINLQYVBBLQNN-LFIBNONCSA-N 272.308 0.887 50 40 CCGB CC(=O)NC(=O)NC(=O)/C(C#N)=C(/C)NC1CCCC1 239563008 PNKPYGGSENTWNQ-UHFFFAOYSA-N 278.312 0.688 50 40 CCGB O=C(NNC(=O)c1ccnnc1)Nc1ccccc1 5603972 OCMKWGZLQILHGB-UHFFFAOYSA-N 257.253 0.943 50 40 CCGB CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NN 2045293 VJANWGNHQPIBCO-GFCCVEGCSA-N 299.396 0.511 50 40 CCGB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@@H](O)CCl)C1 2077763 IZUQCDFAYZCLQS-SRVKXCTJSA-N 282.771 0.867 50 40 CCGB biogenic O=C([C@H]1CCCN1C(=O)CBr)N1CCCC1 72207517 BMBLFAFWDYVZNS-SECBINFHSA-N 289.173 0.995 50 40 CCGB O=C(Cn1cnc2ccccc21)NNC(=O)C1CCC1 42084833 SDAZTYLMIMBIKY-UHFFFAOYSA-N 272.308 0.984 50 40 CCGB CS(=O)(=O)[C@@H](I)C(=O)C1CC1 96517940 HGFWPESPJHFQQB-ZCFIWIBFSA-N 288.106 0.771 50 40 CCGB CC(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 2690768 NZMLGRRVRIIIBT-UHFFFAOYSA-N 282.281 0.250 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2C[C@@H]2C)n1 47466082 KRBYGOCYXIQLDN-XVKPBYJWSA-N 250.302 0.303 50 40 CCGB Cn1c(=O)[nH]c(=O)c2c1nc(CCl)n2CCC#N 36047738 NGAOEDWJAABKJI-UHFFFAOYSA-N 267.676 0.076 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1 31937779 TXUDUPRGCUBAHX-JYRVWZFOSA-O 265.293 0.751 50 40 CCGB Cn1/c(=N\NC(=O)[C@H]2COCCO2)sc2ccccc21 102170533 CBBMUAXEXFMSJD-NIZNLAEJSA-N 293.348 0.587 50 40 CCGB CCCC[C@@H](NC(=O)Cc1ccccc1O)C(=O)NN 255189973 UDEAJFHORKQKPE-LLVKDONJSA-N 279.340 0.600 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 1693554 SOJGJHQPLSMYAU-IZZDOVSWSA-O 255.254 0.344 50 40 CCGB O=C(N/N=C/c1ccncc1)C(=O)N1CCCCCC1 59459714 OOUFZDSAUIHQQS-LFIBNONCSA-N 274.324 0.934 50 40 CCGB COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1[N+](=O)[O-] 59459785 QHYPHNTYKYJCDB-LFKKQGMHSA-N 267.241 0.434 50 40 CCGB CNC(=O)[C@@H]1CN(C(=O)CCl)c2ccccc2O1 12505030 YMAJFFAUKOATSS-JTQLQIEISA-N 268.700 0.765 50 40 CCGB C=CCc1cccc(/C=N\NC(=O)c2ccc(=O)[nH]n2)c1O 86049055 YNQZLKGUVXJRFJ-SXGWCWSVSA-N 298.302 0.968 50 40 CCGB COc1ccc(/C=N\NC(=O)Cc2nnc(N)s2)cc1 101896109 VUHHRUJPFWYNEA-AUWJEWJLSA-N 291.336 0.822 50 40 CCGB Cc1cc(C(=O)NNC(=S)NCC(C)C)nn1C 2744066 FKXONPDHABFWMQ-UHFFFAOYSA-N 269.374 0.493 50 40 CCGB CC1=NN(c2ccccc2)C(=O)/C1=C\N(C)NC=O 408722711 DVXQUNRWILIIAA-WQLSENKSSA-N 258.281 0.886 50 40 CCGB COc1cc(/C=N/NC(N)=O)cc(OC)c1OC(C)=O 3340800 QWEQHDOGECUCAA-MKMNVTDBSA-N 281.268 0.631 50 40 CCGB CC1(C)O[C@H]2O[C@@H]([C@@H]3CO[S@@](=O)O3)[C@@H](Cl)[C@@H]2O1 5553406 QPZSWIPHRFNRLI-CPAXEWBZSA-N 284.717 0.464 50 40 CCGB Cn1ncc(Cl)c1C(=O)NNC(=S)NC1CC1 2777863 GTIQBXBZFJDTKA-UHFFFAOYSA-N 273.749 0.345 50 40 CCGB O=C(NCc1ccccn1)C(=O)N/N=C/c1cccnc1 59516135 ZZYUQEQFQXNSMQ-GIJQJNRQSA-N 283.291 0.243 50 40 CCGB C=CCNC(=S)NNC(=O)Cn1nnc2ccccc21 2180958 WTVBASZVJQHSSO-UHFFFAOYSA-N 290.352 0.113 50 40 CCGB COCCCNC(=S)NNC(=O)c1ccccc1O 7062023 GBJRECJYHXYYSC-UHFFFAOYSA-N 283.353 0.538 50 40 CCGB Cn1cc([C@H]2C[C@H]2C(=O)NNC(=O)c2ccccc2)cn1 68249102 CFJLLDNUFKVSFQ-CHWSQXEVSA-N 284.319 0.985 50 40 CCGB COc1cccc(/C=N\NC(=O)c2nonc2N)c1O 408718933 BRMGXRCBPLAHDT-ACAGNQJTSA-N 277.240 0.130 50 40 CCGB ClCc1nn2c(CN3CCOCC3)nnc2s1 40542181 RAMKRNXCYVNYOH-UHFFFAOYSA-N 273.749 0.757 50 40 CCGB O=S1(=O)C[C@H](I)[C@H](Cl)C1 5328429 NXIVDEIEWWYVEV-DMTCNVIQSA-N 280.514 0.826 50 40 CCGB COC(=O)COc1ccc(/C=N/NC(N)=O)cc1 6169577 YUYSKQPCIZRQGL-AWNIVKPZSA-N 251.242 0.241 50 40 CCGB N#C/C(=C/c1ccccc1OCC(N)=O)C(N)=S 13555697 KFBYTPFQHUPWKU-UITAMQMPSA-N 261.306 0.744 50 40 CCGB CN1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@H]2C#N 4784792 RFRLNWVLYUICSQ-MRVPVSSYSA-N 262.338 0.633 50 40 CCGB CCCOc1ccc(/C=N/NC(=O)C(N)=O)cc1OCC 7993088 VYSRMQQBPUNDBD-CXUHLZMHSA-N 293.323 0.810 50 40 CCGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)O)cc1 59515370 PCHRBBHJEWSZKY-OREIZAMCSA-N 250.254 0.304 50 40 CCGB N/C(=N\NC(=O)c1ccc(N)cc1)c1ccccn1 28539259 UIBVGNCTLBFVHU-UHFFFAOYSA-N 255.281 0.714 50 40 CCGB COc1cc(C(=O)NN)ccc1OCC(=O)N1CCCC1 226360763 UYYRAVGTXCUQMO-UHFFFAOYSA-N 293.323 0.300 50 40 CCGB NNC(=O)CNC(=O)c1cccc(Br)c1 4201781 DBUNWDBZCXYUGY-UHFFFAOYSA-N 272.102 0.169 50 40 CCGB CNC(=O)C1(C(=O)NNC(=O)c2ccccc2O)CCC1 70018533 KMIXYQWIHQHRKO-UHFFFAOYSA-N 291.307 0.070 50 40 CCGB CCNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 46705046 VJCFWLPELRRRSD-UHFFFAOYSA-N 282.256 0.324 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccc(F)cc1 320610 OXAIYKPMOVNDJH-UHFFFAOYSA-N 260.290 0.791 50 40 CCGB CC(=O)N(C(=O)CC(=O)NN)c1ccc(Cl)cc1 1639398 ZAAYBVJENGKIED-UHFFFAOYSA-N 269.688 0.600 50 40 CCGB CCOC(=O)CN(/N=C\c1ccc([N+](=O)[O-])o1)C(N)=O 4722192 ONHUPCAVZVIYFY-XGICHPGQSA-N 284.228 0.466 50 40 CCGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1cccs1 3155575 KWFTYDGRPMABTO-ZETCQYMHSA-N 288.288 0.755 50 40 CCGB O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1[N+](=O)[O-] 44845258 LQJZXPWDOIJHGA-MUWHJKNJSA-N 266.213 0.703 50 40 CCGB CC(C)Cc1n[nH]c(C(=O)NN)c1Br 76500197 SOTBHJPMZSAZGF-UHFFFAOYSA-N 261.123 0.974 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1O 7812948 JNQLPMRDFIVDLP-PFMRQGHBSA-N 263.297 0.757 50 40 CCGB NNC(=O)c1nnc2sc(-c3ccccc3)nn12 57332537 ZTFYJAFLXNEPPL-UHFFFAOYSA-N 260.282 0.456 50 40 CCGB Cc1ccsc1/C=N/NC(=O)CN1CCOCC1 39929435 MLQQASFCEXOPKB-MDWZMJQESA-N 267.354 0.839 50 40 CCGB Nc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575422617 VRAFDYXKHNXVPF-GHMZBOCLSA-N 274.773 0.763 50 40 CCGB CCC(=O)NC(=S)NNC(=O)c1ccc(OC)cc1 2135566 NAPVQLIUCQFYCP-UHFFFAOYSA-N 281.337 0.741 50 40 CCGB Cn1cccc1C(=O)NNC(=O)COc1ccccc1 14201831 JPRBEOZHPPRRTJ-UHFFFAOYSA-N 273.292 0.865 50 40 CCGB O=C(N/N=C/c1ccc(O)c(Cl)c1)C(=O)NC1CC1 409258565 YBOXILQXCOBRLK-MKMNVTDBSA-N 281.699 0.774 50 40 CCGB COc1cc2c(cc1/C=N\NC(=O)CC#N)OCO2 409090307 OULVKCOBBRHVIY-NSIKDUERSA-N 261.237 0.788 50 40 CCGB CCCn1nnc(N2C[C@H](C(=O)Cl)CC2=O)n1 45887974 VEWCOSFXIBJREP-ZCFIWIBFSA-N 257.681 0.201 50 40 CCGB NNC(=O)CN1C=Nc2sc3c(c2[C@@H]1O)CCCC3 96372328 FVKNMZNPDFBROB-LBPRGKRZSA-N 280.353 0.583 50 40 CCGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nc[nH]n1 6863100 WKHCYQJTAMOXOJ-LFYBBSHMSA-N 260.213 0.477 50 40 CCGB CC1(C)O[C@@H]2C(=O)O[C@@H](CBr)[C@@H]2O1 2508177 ZSWDFLIWNDCXNU-ZLUOBGJFSA-N 251.076 0.827 50 40 CCGB in-vitro COC(=O)[C@@H]1CCC(/C(C#N)=C2\CC[C@@H](C(=O)OC)N2)=N1 57028 HEMMGWQVSFWCAQ-OMJLJAAMSA-N 291.307 0.465 50 40 CCGB O=S1(=O)C[C@@H](Cl)[C@H](I)C1 5328428 NXIVDEIEWWYVEV-QWWZWVQMSA-N 280.514 0.826 50 40 CCGB COc1ccc(C(=O)NNC(=O)c2cccnc2)cn1 32193423 BXFJCMBEUIRKSI-UHFFFAOYSA-N 272.264 0.560 50 40 CCGB CS(=O)(=O)NNC(=O)c1ccc(C(F)(F)F)nc1 22996716 RDWRZNOCKXFJEC-UHFFFAOYSA-N 283.231 0.294 50 40 CCGB NNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 409144656 YXKDEPKIQBUCIO-UHFFFAOYSA-N 298.151 0.262 50 40 CCGB N#CSCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 104157234 VMWQQPARVGVVGY-FNCVBFRFSA-N 252.295 0.363 50 40 CCGB CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Br 234348425 BTPQBHKLNXNWDE-BQBZGAKWSA-N 263.135 0.507 50 40 CCGB NC(=O)NN=CCc1ccccc1C/C=N/NC(N)=O 1559636139 LEZMAPAYRLUERU-SJSFVCSQSA-N 276.300 0.080 50 40 CCGB CC(=O)N[C@H](C)C(=O)NNc1nc(C)cc(C)n1 21127064 XNHGZUNYRSQYHB-MRVPVSSYSA-N 251.290 0.061 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1ccccc1Cl 59371653 LVRUSRLXNDFUSB-VGOFMYFVSA-N 253.689 0.926 50 40 CCGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(C)=O 5375372 ZKIVKDPJZXDSPL-NSHDSACASA-N 266.253 0.514 50 40 CCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(O)cc1 104739566 OKWNRLVXIVHVLV-FLIBITNWSA-N 260.249 0.874 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccc(Br)s1 5897061 MNFJPTYRQQRWMN-XCVCLJGOSA-N 276.115 0.446 50 40 CCGB COCC(=O)NNC(=O)c1cc2c(s1)CCC2 31625075 XBJPJLRZCBMVKR-UHFFFAOYSA-N 254.311 0.644 50 40 CCGB N#CC1=C(N)NC(=S)[C@@H](C(N)=O)[C@@H]1c1ccccc1 48844 OYQDXAAMRAEMKX-NXEZZACHSA-N 272.333 0.496 50 40 CCGB O=C(Cc1ccccc1)NNC(=O)c1cnccn1 545916 SGSZMAUHFHUXJY-UHFFFAOYSA-N 256.265 0.480 50 40 CCGB COC(=O)[C@H](C)N(CCCl)P(=O)(N1CC1)N1CC1 104275021 FFDHUALCPGXTMZ-VIFPVBQESA-N 295.707 0.828 50 40 CCGB O=C(NNC(=O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 49354008 YXBXAVKMWUWMKG-SECBINFHSA-N 279.252 0.392 50 40 CCGB CCOC(=O)[C@@H]1[C@@H](C(=O)NN)[C@H]1C(=O)Nc1ccccc1 4084714 AVIACSDETLXKIL-VWYCJHECSA-N 291.307 0.040 50 40 CCGB Cc1cc(=O)n(N)c(NNC(=O)Nc2ccccc2)n1 1407740 IPNPTZTWQWTBDY-UHFFFAOYSA-N 274.284 0.414 50 40 CCGB C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)C1CC1 58418121 ORMIAHNVJFQZKA-KOLCDFICSA-N 270.329 0.518 50 40 CCGB NC(=O)N/N=C/c1ccc(N2CCOCC2)c(F)c1 409124003 JQKKUASXEKQUIQ-OVCLIPMQSA-N 266.276 0.665 50 40 CCGB CCCCn1nnc(N2C[C@H](C(=O)Cl)CC2=O)n1 45888002 KSPBDRGJKSBJPK-SSDOTTSWSA-N 271.708 0.592 50 40 CCGB C/C(N)=C(/C#N)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 102955122 FAOMBGJCTNRXLX-ZRDIBKRKSA-N 282.307 0.974 50 40 CCGB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCl)C1=O 3278178 JXOPSLIUHKRPAC-LBPRGKRZSA-N 281.699 0.724 50 40 CCGB CCn1ncc(/C=N/NC(=O)Cn2cc(C)cn2)c1F 252499373 RZPFYWOOAGMTDJ-LHHJGKSTSA-N 278.291 0.697 50 40 CCGB C[C@@H]1[C@H](C(=O)O)C[C@H]([N+](=O)[O-])[C@H](Cl)[C@@H]1[N+](=O)[O-] 5328336 RRMFVDXVGDTVKZ-ULQPCXBYSA-N 266.637 0.625 50 40 CCGB C[C@@H](O)CN(/N=C\c1ccc([N+](=O)[O-])o1)C(N)=O 8602865 GBNRGPOXYKKLGO-XTBXSTIBSA-N 256.218 0.283 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)c2nc[nH]n2)cc1 1505231 RMXGZMKJTVCWSJ-VGOFMYFVSA-N 258.285 0.635 50 40 CCGB COc1cc(C(=O)NN)c([N+](=O)[O-])c(OC)c1OC 90700 GLADMWUQKUFONP-UHFFFAOYSA-N 271.229 0.224 50 40 CCGB COc1ccc(C(=O)NNC(=O)C(=O)NC(C)(C)C)cc1 4713745 SZYMEPYKYBDWLT-UHFFFAOYSA-N 293.323 0.371 50 40 CCGB Cc1ccccc1C(=O)NNc1nnc(C)c(O)n1 23310267 FWRQRUSWEIMRJD-UHFFFAOYSA-N 259.269 0.951 50 40 CCGB N#CC1=C(N)n2ncnc2N[C@H]1c1ccc(O)cc1 18199352 HLBOLDHAPJDLPL-JTQLQIEISA-N 254.253 0.801 50 40 CCGB Cc1nc(C#N)c(N2CCN(C(=O)CCl)CC2)o1 12946224 KMZAIUJDKHUTKW-UHFFFAOYSA-N 268.704 0.742 50 40 CCGB in-vitro COc1ccc(NC(=S)NNC=O)c(OC)c1 6289569 HWYJPZILULNWRK-UHFFFAOYSA-N 255.299 0.651 50 40 CCGB N#C/C(=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O 82027532 XDDDOLQEZBJWFZ-BHQIHCQQSA-N 250.166 0.998 50 40 CCGB CN(C)/N=N/c1ccccc1C(=O)NNC(=O)CC#N 18187782 MWQAYGMFWIKMFN-SAPNQHFASA-N 274.284 0.922 50 40 CCGB Nc1nonc1NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 1884534 HEWWUYIXFPACSF-XCVCLJGOSA-N 281.188 0.309 50 40 CCGB C=CCNC(=S)NNC(=O)[C@@H](CC)CC(C)(C)O 2259840 YUQFNZFUTMUSLN-VIFPVBQESA-N 273.402 0.855 50 40 CCGB CC(=O)NNC(=O)CSc1nnc(C(F)(F)F)n1C 7197678 BUJGZONUHPPAMJ-UHFFFAOYSA-N 297.262 0.093 50 40 CCGB CC(C)CCNS(=O)(=O)c1cccc(C(=O)NN)c1 225502072 ZDYUMNBWZMYIKV-UHFFFAOYSA-N 285.369 0.615 50 40 CCGB Cc1cc(B(O)O)cc(C)c1S(=O)(=O)NC(C)(C)C 575432241 UYVHMIGXAOGREZ-UHFFFAOYSA-N 285.174 0.060 50 40 CCGB CC(=O)NNC(=O)CSc1nnnn1C1CCCCC1 1357383 OCTOPUBQZSMCJO-UHFFFAOYSA-N 298.372 0.438 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1 59515671 ANPNATAPKWNDDI-LFIBNONCSA-N 288.351 0.825 50 40 CCGB NNC(=O)CSc1nc(-c2ccccc2N)n[nH]1 58047118 IYSJXHPMSZGKHJ-UHFFFAOYSA-N 264.314 0.136 50 40 CCGB NNC(=O)c1nnn(Cc2ccccc2)c1-c1cccnc1 98211057 IOAMLQHSGKQJCN-UHFFFAOYSA-N 294.318 0.992 50 40 CCGB O=C(CNC(=O)n1ccnc1)N/N=C/c1ccco1 12948664 XUVVERMFEUMONM-MKMNVTDBSA-N 261.241 0.184 50 40 CCGB Cn1cnnc1CNC(=O)NNC(=O)c1ccc(F)cc1 12985234 WZIJCEHQGVXLNS-UHFFFAOYSA-N 292.274 0.098 50 40 CCGB CCC(=O)NNC(=O)COc1ccc(OC)cc1 5416875 WDJRSVZCNOXDQW-UHFFFAOYSA-N 252.270 0.631 50 40 CCGB NNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 4699524 YTZIEYLJRQIOPL-UHFFFAOYSA-N 292.122 0.938 50 40 CCGB COCCNC(=O)C(=O)N/N=C/c1ccc(C)cc1 5543166 NRMDLNPQOORTMO-OQLLNIDSSA-N 263.297 0.208 50 40 CCGB OC[C@H]1COC[C@H](CI)O1 8615589 GWCBGCQGJPSGBW-WDSKDSINSA-N 258.055 0.198 50 40 CCGB Cc1ccccc1-n1nc(C(=O)NN)c(C)c(C#N)c1=O 563214 CEFUQGCDALHSNO-UHFFFAOYSA-N 283.291 0.325 50 40 CCGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNC1=CC(=O)OC1 33445889 URFFNBXTJBAZNH-UHFFFAOYSA-N 277.236 0.199 50 40 CCGB N=c1[nH]c(NNC(=O)c2cccc([N+](=O)[O-])c2)ncc1F 408721692 LCXGPYDDZZSWFY-UHFFFAOYSA-N 292.230 0.693 50 40 CCGB COc1ccc(Cc2ocnc2C(=O)NN)cc1OC 226101375 ZOLDBDJNSLULHL-UHFFFAOYSA-N 277.280 0.886 50 40 CCGB COc1ccccc1C(=O)NNC(=O)c1cnccn1 290029 NHLBDZSAYISAPY-UHFFFAOYSA-N 272.264 0.560 50 40 CCGB O=C(NNC(=S)NC1CC1)c1ccc([N+](=O)[O-])cc1 2788718 STTNUPQFJUPBJF-UHFFFAOYSA-N 280.309 0.866 50 40 CCGB Cn1c(=O)c(/C=N/NC(N)=O)c(O)c2ccccc21 104830905 JWYKZVUKQOTODZ-MKMNVTDBSA-N 260.253 0.246 50 40 CCGB CCOC1(OCC)[C@H]2C=C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 104013352 UALREHFBNSDLSV-AXTSPUMRSA-N 252.266 0.887 50 40 CCGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccco1 59515862 PPFORIUFHJHCPZ-RIYZIHGNSA-N 251.286 0.892 50 40 CCGB CN(C)c1nc(N(C)C)nc(N(C#N)COCCCl)n1 2257378 YNYLYQLPAWRYKH-UHFFFAOYSA-N 299.766 0.504 50 40 CCGB CCN1C(=O)C(=CNCCCCl)C(=O)N(CC)C1=O 5911621 VIYJRSQZJREAES-UHFFFAOYSA-N 287.747 0.919 50 40 CCGB COc1ccc(C(=O)NNC(=O)CCCC(=O)O)cc1 5007440 KRTMPFOTCVZMGV-UHFFFAOYSA-N 280.280 0.711 50 40 CCGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)C[N+](=O)[O-])c1O 18194735 UUOGJKRERMMFQX-NYYWCZLTSA-N 298.211 0.036 50 40 CCGB NNC(=O)c1[nH]cnc1C(=O)Nc1ccc([N+](=O)[O-])cc1 6445567 NIDWCEORCHQJLS-UHFFFAOYSA-N 290.239 0.174 50 40 CCGB CCOC1=C(C#N)C(=C(C#N)C#N)N[C@@]1(O)C(F)(F)F 1392750 YJLXJMGMENFJQQ-JTQLQIEISA-N 284.197 0.956 50 40 CCGB COC(=O)NNC(=O)Nc1nncc(-c2ccccc2)n1 70009850 ILDLHQNBPFHPPJ-UHFFFAOYSA-N 288.267 0.931 50 40 CCGB OB(O)c1ccc(Br)c(Cl)c1F 236415621 OHHNGHFCANJXQZ-UHFFFAOYSA-N 253.263 0.921 50 40 CCGB O=C(Cn1cncn1)N/N=C/c1ccc([N+](=O)[O-])cc1 3196739 IYXQBDMKNBZTKR-WLRTZDKTSA-N 274.240 0.337 50 40 CCGB COc1c(/C=N/NC(N)=O)c(OC)c(OC)c2c1CCO2 1684857 WKWJJRZYLHOQJI-GIDUJCDVSA-N 295.295 0.650 50 40 CCGB O=C1O[C@@H]2[C@@H](I)[C@H]3C[C@@H]2[C@H]1[C@@H]3CO 4114147 PSTGDDPSSSCMBH-WQJFPXAQSA-N 294.088 0.590 50 40 CCGB COc1ccc(Cc2noc(C(=O)NN)n2)cc1OC 78404265 XTNKDHHZVGMBFL-UHFFFAOYSA-N 278.268 0.281 50 40 CCGB Cc1nnn(C23C[C@H]4C[C@H](CC(C(=O)NN)(C4)C2)C3)n1 13139191 CCNAXTVWIKMWOQ-ASZHBFLOSA-N 276.344 0.267 50 40 CCGB C[C@@H]1C(C#N)(C#N)C(C#N)=C(N)[C@]1(Cl)[N+](=O)[O-] 87320 CWRGCDKIXIGGAV-MLUIRONXSA-N 251.633 0.618 50 40 CCGB CCOC(=O)[C@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]1C(=O)NN 12859634 AVIACSDETLXKIL-AXFHLTTASA-N 291.307 0.040 50 40 CCGB CC(=O)OC[C@@]12CC[C@@H](O1)[C@H]1C(=O)OC(=O)[C@@]12C 8445504 HWSYCHFKYRCGOS-IWXIMVSXSA-N 254.238 0.187 50 40 CCGB O=C(CCl)NCc1ccc(N2CCOCC2)nc1 37389637 UZZTXPVHGVWKKN-UHFFFAOYSA-N 269.732 0.773 50 40 CCGB C/C(=N\NC(=O)c1cnc[nH]c1=O)c1ccccc1O 5177826 IRVHELIRCJPAJD-LZYBPNLTSA-N 272.264 0.630 50 40 CCGB COc1cc([C@@H]2ON=C(C(=O)NN)[C@@H]2C)cc2c1OCO2 12417219 QXPUZEAHWYTNNA-UPONEAKYSA-N 293.279 0.477 50 40 CCGB CC[C@@H](C(=O)NN)N1CCN(c2ccccc2)CC1 22539051 WXTVEUVDAIBADA-ZDUSSCGKSA-N 262.357 0.577 50 40 CCGB CN1C(=O)/C(=N/NC(=O)C(C)(C)O)c2ccccc21 13562176 JNTGMVBMZDKBAL-GXDHUFHOSA-N 261.281 0.254 50 40 CCGB O=C(CCl)N(c1ccccn1)[C@H]1CCS(=O)(=O)C1 40177561 APVMLLJPNARLBC-VIFPVBQESA-N 288.756 0.841 50 40 CCGB CCCC1(CCSC#N)C(=O)NC(=O)NC1=O 1752112 XNRPWUDLRCYHNK-UHFFFAOYSA-N 255.299 0.743 50 40 CCGB CC[C@H](C(=O)NN)N1CCN(c2ccccc2)CC1 22539048 WXTVEUVDAIBADA-CYBMUJFWSA-N 262.357 0.577 50 40 CCGB N#CC1=C(N)Nc2nc(C(=O)O)nn2[C@H]1c1ccccc1 8559541 RLBWAYMSRRKWEW-VIFPVBQESA-N 282.263 0.685 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccccc1O 3062081 CJQAQPQUOZYJGH-OQLLNIDSSA-N 261.281 0.535 50 40 CCGB CCN1C(=O)C[C@H](NNC(=O)c2ccc(Cl)cc2)C1=O 84460241 IPGDDAVWONJEQB-JTQLQIEISA-N 295.726 0.722 50 40 CCGB N#CC1=C(N)O[C@]2(N3CCOCC3)CCC[C@H]2C1(C#N)C#N 22145654 GSTUHLBAZSGMOM-SWLSCSKDSA-N 299.334 0.573 50 40 CCGB COc1cc(/C=N/NC(N)=O)ccc1O[C@H](C)C(=O)O 409014910 QRYVRJGYKBIAKK-IOCLVDNSSA-N 281.268 0.549 50 40 CCGB CC(=O)S[C@H]1CS(=O)(=O)C[C@H]1Br 16789880 CXORRTZVZLVOJB-RITPCOANSA-N 273.173 0.827 50 40 CCGB COc1cc(CC(=O)NN)c([N+](=O)[O-])cc1OC 110516 NDIURPSCHWTXDC-UHFFFAOYSA-N 255.230 0.144 50 40 CCGB C[C@@]1(c2ccccc2)C[C@@H]1C(=O)NNC(=O)/C=C\C(=O)O 36020362 XNOVRFRGUGRHII-WKJPBOORSA-N 288.303 0.752 50 40 CCGB O=C1O[C@@H]2[C@@H](I)[C@@H]3C[C@@H]2[C@H]1[C@@H]3CO 103926695 PSTGDDPSSSCMBH-LHUYJCHPSA-N 294.088 0.590 50 40 CCGB NC(=O)NNC(=O)/C=C/c1cnc2ccccc2c1 2578136 OHWYBEJOFGZCAX-AATRIKPKSA-N 256.265 0.948 50 40 CCGB Cc1ccccc1-n1nnnc1SCC(=O)NN 3885877 YWCXRYOJDDBMSP-UHFFFAOYSA-N 264.314 0.053 50 40 CCGB N[C@@](CCCCB(O)O)(CCN1CCCCC1)C(=O)O 170183245 CHPILBYRQPOXMV-ZDUSSCGKSA-N 286.181 0.288 50 40 CCGB O=S1(=O)C[C@H]2Sc3nncn3[C@H]2[C@@H]1Br 25502238 JPNIRFRMIOBGTE-UOWFLXDJSA-N 296.171 0.443 50 40 CCGB CN(C)c1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1 31937785 ZRLHUJDOINDDHN-GDNBJRDFSA-O 263.365 0.909 50 40 CCGB COC(=O)CCC(=O)NNc1ccccc1[N+](=O)[O-] 4178010 YFAHQRKTIJVAJB-UHFFFAOYSA-N 267.241 0.991 50 40 CCGB NC(=O)C(=O)N/N=C/c1cccc(Br)c1 6330552 LSPCIOLVHQDEIP-LFYBBSHMSA-N 270.086 0.385 50 40 CCGB O=C1NN=C[C@@H]1C(=O)N/N=C/c1c(F)cccc1Cl 100948872 PUWSPOVIGNVEOD-SAIRAEFTSA-N 282.662 0.661 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccccc1Br 3472030 DGFPIMOYCKBLSX-LFYBBSHMSA-N 270.086 0.385 50 40 CCGB N=c1[nH]c(NNC(=O)c2ccc([N+](=O)[O-])cc2)ncc1F 408721418 HBJXXZBSIYVEOQ-UHFFFAOYSA-N 292.230 0.693 50 40 CCGB Nc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575422637 VRAFDYXKHNXVPF-WDEREUQCSA-N 274.773 0.763 50 40 CCGB N#CSCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 5217613 VMWQQPARVGVVGY-SPJNRGJMSA-N 252.295 0.363 50 40 CCGB NNC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 2676389 COTGXXKOFQUDGB-UHFFFAOYSA-N 294.311 0.875 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(C)cc1 59459630 LCMSDZMEJZFPBA-GZTJUZNOSA-N 291.351 0.988 50 40 CCGB Cc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)NN)co1 225315012 AWBASPXUSFMLKO-LLVKDONJSA-N 288.307 0.314 50 40 CCGB O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1CC#CCCl 5218053 QUUNVRWFOIXKNW-UTINFBMNSA-N 253.685 0.391 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1ccc(Cl)cc1 3061974 ILXNMRBJZNDIIH-CXUHLZMHSA-N 297.742 0.943 50 40 CCGB CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]1C(=O)NN 2243946 AVIACSDETLXKIL-HBNTYKKESA-N 291.307 0.040 50 40 CCGB NNC(=O)c1cc2c(=O)n3ccccc3nc2s1 3885865 QLYSJUVTWUJOEN-UHFFFAOYSA-N 260.278 0.513 50 40 CCGB CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(OC)cc1 6401307 BBBOOVACRBYCOR-SECBINFHSA-N 297.380 0.978 50 40 CCGB O=C(O)CN1CCC[C@H](I)C1 79390389 CJOPMINULVHTEW-LURJTMIESA-N 269.082 0.970 50 40 CCGB O=C(N/N=C/c1ccc(O)cc1)c1cc[n+]([O-])cc1 4278918 CSCGDOQALOMBPG-NTEUORMPSA-N 257.249 0.790 50 40 CCGB CC(C)(C)OC(=O)N1CCC(NC(=O)NN)CC1 68590701 MMIVXIUUDRGKAU-UHFFFAOYSA-N 258.322 0.559 50 40 CCGB in-vitro Cc1ccc(C(=O)NNS(=O)(=O)N(C)C)cc1 45929445 NKLHQZCQZDKSPR-UHFFFAOYSA-N 257.315 0.036 50 40 CCGB O=C(NCCCl)Nc1nc(=O)[nH]cc1Br 1585760 PETTXIILCNRATH-UHFFFAOYSA-N 295.524 0.893 50 40 CCGB NS(=O)(=O)c1cccc(NC(=O)NCCCl)c1 4926925 OKVOKUSLFWLJGW-UHFFFAOYSA-N 277.733 0.694 50 40 CCGB Cc1nn(C)c(Cl)c1C(=O)NNC(=O)c1ccccn1 14203839 ZUAHXMXTBMGXJK-UHFFFAOYSA-N 293.714 0.852 50 40 CCGB C[C@H](Oc1ccc(/C=N/NC(=O)CC#N)cc1)C(=O)O 39557315 VIZRYTHQRZUJRP-HVIDBACLSA-N 275.264 0.902 50 40 CCGB CC1=C[C@]2(C)[C@@H]3C(=O)OC(=O)[C@H]3[C@@H]1[C@H]1C(=O)OC(=O)[C@H]12 239426006 VPEBWHJXHKKKRE-CONYASQJSA-N 276.244 0.214 50 40 CCGB COC(=O)[C@@H]1C[C@@H]2CC=C(C#N)O[C@@H]2N1C(C)=O 4267951 MBLNUCGRWVQNNA-LSJOCFKGSA-N 250.254 0.550 50 40 CCGB COCCCNc1ccc([N+](=O)[O-])cc1C(=O)NN 216940029 PZVWBSYLTQNRCZ-UHFFFAOYSA-N 268.273 0.647 50 40 CCGB Cc1ccc(NC(=O)CSCC(=O)NN)cc1 1806497 LCTXYKQOVDHIMP-UHFFFAOYSA-N 253.327 0.657 50 40 CCGB CCNC(=S)NNC(=O)Cc1nc2ccccc2n1C 16275925 WGHNYZFBLSROGI-UHFFFAOYSA-N 291.380 0.631 50 40 CCGB O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(=O)oc1 1301756 VYWLDBZAVCHREI-NXEZZACHSA-N 276.292 0.837 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444281 PDULLAGPKJSHHK-LZYBPNLTSA-N 291.307 0.607 50 40 CCGB O=C(CNC(=O)c1ccccc1)N/N=C/c1cccnc1 4016254 GIDIKKGOXBNQFV-VCHYOVAHSA-N 282.303 0.962 50 40 CCGB CN(C)c1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1 409250528 MTVFAZRJJOZKPL-YFHOEESVSA-N 258.281 0.854 50 40 CCGB C[C@@H]1CC(C)(C)O[C@@H](c2ccc(B(O)O)cc2)O1 204243885 HOYCJVZQXAHXOS-SKDRFNHKSA-N 250.103 0.969 50 40 CCGB CCNC(=S)NNC(=O)COc1ccccc1F 6447097 NPNMRJQSRSAHPZ-UHFFFAOYSA-N 271.317 0.720 50 40 CCGB CO[Si](CCCOC[C@@H]1COC(=O)O1)(OC)OC 195811940 MICBKZBCSXKCMF-SECBINFHSA-N 280.349 0.807 50 40 CCGB CC(C)(CCl)C(=O)ON1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O 3466818 RLUGIZGNCMVOBE-SPJNRGJMSA-N 299.710 0.648 50 40 CCGB CCCCCC(=O)N/N=C(\C)Cn1nnc([N+](=O)[O-])n1 5458802 XXMQIVRSBXOZLC-DHZHZOJOSA-N 283.292 0.654 50 40 CCGB Cc1cnc(C(=O)NNc2nc(C)cc(C)n2)cn1 21127073 KTXHGLBBJSDPTK-UHFFFAOYSA-N 258.285 0.949 50 40 CCGB CCOC(=O)CCC(=O)NNC(=O)COc1ccccc1 4599423 SBYPTJKNYHUPLO-UHFFFAOYSA-N 294.307 0.556 50 40 CCGB O=C1NCCC[C@@H]1C(=O)N/N=C/c1ccc(O)cc1 236655 FSSLKHARVGMDME-UXYFDLPDSA-N 261.281 0.369 50 40 CCGB Cc1ccnn1CC(=O)N/N=C/c1ccc(O)cc1O 355832 CMKKDYVRECCIEV-VGOFMYFVSA-N 274.280 0.753 50 40 CCGB CCCNC(=O)c1cc(Br)cc(B(O)O)c1 642814933 NUJQDJJXOLSAOM-UHFFFAOYSA-N 285.934 0.269 50 40 CCGB COc1ccc(/C=N\NC(=O)c2nonc2N)cc1OC 33320156 YHEPTPWHVHVFME-NSIKDUERSA-N 291.267 0.433 50 40 CCGB CCOC(=O)[C@H]1COC[C@H](Br)C1=O 95836299 DNSOUEIDBRVJAZ-WDSKDSINSA-N 251.076 0.529 50 40 CCGB O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccncc1 345081 RJUICIQRGODBHD-QWRGUYRKSA-N 291.307 0.734 50 40 CCGB CCCS(=O)(=O)NNC(=O)c1ccc(OC)cc1 3316032 ZMFVVLUSAUHAKH-UHFFFAOYSA-N 272.326 0.669 50 40 CCGB CCOC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167608 WQRNCRNYZPKVPS-WDSKDSINSA-N 257.764 0.302 50 40 CCGB NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 15424151 MBALZBBSWLKIAO-UHFFFAOYSA-N 275.355 0.136 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1sccc1C 59435570 XCVDZVOMZVJJQS-RIYZIHGNSA-N 283.353 0.659 50 40 CCGB CN1C(=O)/C(=N/NC(=O)c2cnccn2)c2ccccc21 5603505 OPZPRILMGTXRAR-SFQUDFHCSA-N 281.275 0.587 50 40 CCGB O=C(N/N=C\c1ccccc1O)c1cc[n+]([O-])cc1 73336463 USUPRAKYGXUILQ-ZROIWOOFSA-N 257.249 0.790 50 40 CCGB COc1cc2c(cc1OC)/C(=N/NC(=O)C1CC1)C(=O)N2 43914347 DATJLKODGRVJNU-UHFFFAOYSA-N 289.291 0.886 50 40 CCGB CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Br)C1 234344680 WFQDZMJJCMQOSA-JGVFFNPUSA-N 277.162 0.754 50 40 CCGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cccnc1 59516129 TXKYCVNRRQZNQA-WOJGMQOQSA-N 282.303 0.848 50 40 CCGB O=C(CSc1ncn[nH]1)NNC(=O)c1ccc(F)cc1 11340764 BOEQNEKVAIXDBB-UHFFFAOYSA-N 295.299 0.497 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 408973200 XJVCWIDYUOKGJY-PFMRQGHBSA-N 292.295 0.960 50 40 CCGB O=C(NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O)c1ccco1 17022821 AEMZZVXFXNECQK-GISOBZBCSA-N 292.291 0.788 50 40 CCGB COc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1OC 1847149 YLKOBROQXYWQSO-OQLLNIDSSA-O 280.348 0.860 50 40 CCGB O=C(O)CN1CCC[C@@H](I)C1 79390392 CJOPMINULVHTEW-ZCFIWIBFSA-N 269.082 0.970 50 40 CCGB CCNC(=O)NNC(=O)COc1ccccc1OC 46705023 QMPDLOZRFOZHLA-UHFFFAOYSA-N 267.285 0.424 50 40 CCGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 5296445 RYADYEOSDHVJQO-NTUHNPAUSA-N 287.235 0.442 50 40 CCGB COc1ccc(Br)c(OC)c1B(O)O 201562656 WAKKMVAQHOAAMB-UHFFFAOYSA-N 260.880 0.146 50 40 CCGB CC[C@@](C)(C(=O)NN)N1CCN(c2ccccc2)CC1 22123806 OTDAYKZNGBDMBL-HNNXBMFYSA-N 276.384 0.967 50 40 CCGB OC[C@@H]1COC[C@@H](CI)O1 8615588 GWCBGCQGJPSGBW-PHDIDXHHSA-N 258.055 0.198 50 40 CCGB O=C(N/N=C/c1ccc(O)cc1)C(=O)NC1CCCC1 58884523 CDPVIWLZFDALRR-OQLLNIDSSA-N 275.308 0.901 50 40 CCGB COc1ccc([C@H](Cl)[C@H](C)N)cc1S(N)(=O)=O 22054698 SWULSHNLZCHBKQ-QUBYGPBYSA-N 278.761 0.970 50 40 CCGB in-vitro CC(=NNC(=O)COc1ccc(C)cc1)C(=O)O 252441038 BVFFAXHCDQGFGU-UHFFFAOYSA-N 250.254 0.951 50 40 CCGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@@H](O)[C@@H]12 100067246 CVISOHZWXIVDFN-SYHQWPJTSA-N 278.304 0.673 50 40 CCGB biogenic,in-vitro O=C(CN1CCOCC1)N/N=C\C=C\c1ccco1 59246491 UDRZCTPVLIZUFM-NQDFZQDQSA-N 263.297 0.727 50 40 CCGB O=C(Cc1ccc(F)cc1)NNC(=O)c1cccnc1O 12983770 RVBQSTGGGAUHGP-UHFFFAOYSA-N 289.266 0.930 50 40 CCGB COCOc1ccc(F)c(B(O)O)c1Br 1083800032 SRINIBKPMAXFEW-UHFFFAOYSA-N 278.870 0.251 50 40 CCGB CCOC(=O)/C(C#N)=C(\N)[C@H](C)C(=O)Nc1ccccn1 100880966 IJIOANLTSIGSRQ-ZJVCQKQLSA-N 288.307 0.956 50 40 CCGB C=CCNC(=S)NNC(=O)CNc1ccc(F)cc1 3199738 NVIXKENUXKXMLX-UHFFFAOYSA-N 282.344 0.919 50 40 CCGB Cc1noc(C)c1CCC(=O)NNC(=O)C1CC1 23146957 FJQKEOAEFBIXRX-UHFFFAOYSA-N 251.286 0.781 50 40 CCGB CC(C)CN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 3866173 VSEHIJZDKSGPJT-SECBINFHSA-N 267.778 0.897 50 40 CCGB CNC(=S)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 6852727 YOORVRSJNQYLDP-SSDOTTSWSA-N 271.317 0.718 50 40 CCGB CCOC(=O)C[C@H](NCCCl)C(=O)OCC 31923556 OGMGSWZJXRSUJG-QMMMGPOBSA-N 251.710 0.700 50 40 CCGB O=C(NNc1ncnc2[nH]cnc12)c1ccc(O)cc1 16758277 MLLKBCOIHJURML-UHFFFAOYSA-N 270.252 0.815 50 40 CCGB O=C(CNC(=O)n1ccnc1)N/N=C\c1ccco1 5386905 XUVVERMFEUMONM-NSIKDUERSA-N 261.241 0.184 50 40 CCGB CCOC(=O)NNC(=O)[C@@H]1CCCN(c2cnccn2)C1 29760546 WGFHFTLGWVLHGF-SNVBAGLBSA-N 293.327 0.470 50 40 CCGB N#C/C(N)=C(C#N)\N=C/c1ccc(OCC(=O)O)cc1 100942664 YVNRTMSCNOYYLL-GXYYZTNNSA-N 270.248 0.786 50 40 CCGB CNC(=S)NNC(=O)[C@@H](C)Oc1ccccc1 6524321 ROBMECRGTTUPQY-MRVPVSSYSA-N 253.327 0.579 50 40 CCGB CC(C)Cn1c(N)c(C(=O)CCl)c(=O)n(C)c1=O 3372711 XHTDSDSCNSIIOA-UHFFFAOYSA-N 273.720 0.207 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 32116931 OJYMFNRPHYXBLL-OVCLIPMQSA-N 292.295 0.817 50 40 CCGB Cc1nn(-c2ncc(Cl)cc2Cl)nc1C(=O)NN 89263612 XAOAICVJYVAXEW-UHFFFAOYSA-N 287.110 0.881 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)s1 16430347 ZMRNCTCOQXIKAT-NYYWCZLTSA-N 296.268 0.314 50 40 CCGB Cc1cnn([C@@H](C)C(=O)NNC(=S)NC2CC2)c1 2779260 JNABUWVKJCBXJO-QMMMGPOBSA-N 267.358 0.410 50 40 CCGB Nc1nnn(CC(=O)N/N=C/c2ccc(Cl)cc2)n1 547523 GGABVWJADUYMKB-WLRTZDKTSA-N 279.691 0.059 50 40 CCGB CS(=O)(=O)c1ccc(-n2nnnc2CCl)cc1 36379851 BHBNOEHNPPKVED-UHFFFAOYSA-N 272.717 0.805 50 40 CCGB in-vitro COc1cc(/C=N/NC(=O)c2cnc[nH]c2=O)ccc1O 3040057 PQJSYOINWCUCKK-FZSIALSZSA-N 288.263 0.248 50 40 CCGB CCS(=O)(=O)N1CCN(C(=O)CCCl)CC1 8873211 REPRMGJIOQDJSL-UHFFFAOYSA-N 268.766 0.109 50 40 CCGB COC(=O)NNC(=O)NCCc1ccc(OC)c(OC)c1 24991315 IYYFLEPFHNYJTE-UHFFFAOYSA-N 297.311 0.817 50 40 CCGB NNC(=O)CNC(=O)c1ccccc1Br 293864 IKQYDADQLJCLCB-UHFFFAOYSA-N 272.102 0.169 50 40 CCGB O=S1(=O)C[C@H](Cl)[C@H](I)C1 1736348 NXIVDEIEWWYVEV-IUYQGCFVSA-N 280.514 0.826 50 40 CCGB CN(C)NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 2375814 BSQCBMNZERMVKI-OLZOCXBDSA-N 252.314 0.544 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1 7782027 YOMPWDBYMOIXPZ-RGZVIEDOSA-N 275.308 0.432 50 40 CCGB CCN(CC)c1ccc(/C=N/NC(=O)C(N)=O)c(O)c1 3526904 RMROYGSVFROPFT-OVCLIPMQSA-N 278.312 0.174 50 40 CCGB O=C(O)/C=C/C(=O)NNC(=O)c1ccc(Cl)cc1 2779800 HTKCWXDZSXBWTG-AATRIKPKSA-N 268.656 0.742 50 40 CCGB COc1ccc(NC(=O)NNC(=O)C[C@@H](C)O)cc1OC 17024226 FYVRLANJFLTBGB-MRVPVSSYSA-N 297.311 0.627 50 40 CCGB COC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 1794776 FROHVIXDKLCXIB-UHFFFAOYSA-N 269.213 0.361 50 40 CCGB NNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 223468764 SKTLDBAMGLAVLX-UHFFFAOYSA-N 297.380 0.394 50 40 CCGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CCCO 4182005 JGYIUWWHPOMVJG-NTEUORMPSA-N 294.311 0.883 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 318700 UJOBFJKEJAGUIV-UHFFFAOYSA-N 287.297 0.560 50 40 CCGB Nc1cccc(C(=O)N/N=C2/C(=O)N[C@H]3C=CC=C[C@H]23)c1 101654657 IDHFVMILTUWVON-SWUFVRTESA-N 282.303 0.595 50 40 CCGB Cc1nnc(NNC(=O)COc2ccccc2)nc1O 11548063 LQNDZLJHGTWWMB-UHFFFAOYSA-N 275.268 0.408 50 40 CCGB O=C(N/N=C/c1ccncc1)c1cc(O)c(O)c(O)c1 267707 IOJYJGPJAWMMRR-VIZOYTHASA-N 273.248 0.962 50 40 CCGB O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccncc1 12877389 FIJQVTUHRLPMGP-ZDUSSCGKSA-N 283.287 0.846 50 40 CCGB CCOC(=O)/C(C#N)=C\Nc1nc(SC)n[nH]1 6438879 CVASRVQHUUKANB-WAYWQWQTSA-N 253.287 0.909 50 40 CCGB Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1Cc1ccco1 72415075 NJTXDFGRZDUWSR-UHFFFAOYSA-N 283.671 0.182 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(C(=O)O)cc1 3089010 JJQPSJSZWMDIFS-OVCLIPMQSA-N 291.307 0.750 50 40 CCGB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCl 32626877 YKUUDRILQVDFQC-UHFFFAOYSA-N 290.772 0.792 50 40 CCGB O=C(NNC(=O)c1ccccc1)C(=O)N1CCCCC1 4853746 FZDIYWKYTDGQLE-UHFFFAOYSA-N 275.308 0.460 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1ccc(C)cc1 5126778 HAXPPKGUTHOSJM-UHFFFAOYSA-N 258.299 0.934 50 40 CCGB CCCS(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 45929220 PKHAJZWUVSYQPQ-UHFFFAOYSA-N 287.297 0.569 50 40 CCGB CCN(CC)Cc1ccc(C(=O)NNC(C)=O)o1 55543556 YRHARIHQBLSQSQ-UHFFFAOYSA-N 253.302 0.902 50 40 CCGB N#C/C(C(N)=O)=C1\SCC(=O)N1c1ccccc1 11666760 DEBVTOFELUEYGM-FMIVXFBMSA-N 259.290 0.987 50 40 CCGB NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2694898 MRNZPESIKMOZCZ-JTQLQIEISA-N 283.353 0.077 50 40 CCGB CCC(CC)=NNC(=O)C(=O)NCc1cccnc1 59515706 NXKLKBUQDPRVJI-UHFFFAOYSA-N 262.313 0.990 50 40 CCGB O=C(NNC(=S)NC1CC1)c1cn2ccccc2n1 72958256 UECPUYZSCQBVLQ-UHFFFAOYSA-N 275.337 0.606 50 40 CCGB O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1cc[nH]n1 225390194 JFBXMCJJNZNDRW-PJQLUOCWSA-N 286.217 0.932 50 40 CCGB CC(C)N(CCCNC(=O)CCl)S(C)(=O)=O 68583631 WXDSUTBNSREPRQ-UHFFFAOYSA-N 270.782 0.402 50 40 CCGB in-vitro CN1/C(=C\C=N\NC(=O)C(N)=O)C(C)(C)c2ccccc21 7992974 BLGXWQAFSPKDJD-BXOFLPTQSA-N 286.335 0.885 50 40 CCGB CSc1ccc(/C=N/NC(=O)[C@@H]2C=NNC2=O)cc1 100948892 YAQSEIYFPGHQQO-FYTLYHSASA-N 276.321 0.590 50 40 CCGB CNC(=O)C[C@H]1CN(C(=O)/C(C#N)=C/C(C)C)C[C@@H]1O 585289065 FBCXRKWWGHBBPN-FDZLHUOSSA-N 279.340 0.048 50 40 CCGB CCOc1cc(/C=N/NC(=O)Cn2cncn2)ccc1O 3196436 OJYFICSVNDKVDM-GIDUJCDVSA-N 289.295 0.533 50 40 CCGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccco1 409376785 CWLHBKYGDVVPSK-UUTMEEIUSA-N 290.275 0.564 50 40 CCGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@@H]1c1ccncc1 5800826 NRULDVGTJVUHRU-SNVBAGLBSA-N 255.233 0.700 50 40 CCGB Cc1ccc(CC(=O)NNC(=O)C(=O)N2CCCC2)cc1 4715566 IJTZGGPOTLKXFX-UHFFFAOYSA-N 289.335 0.307 50 40 CCGB CCOC(=O)[C@]12C=C[C@@H](CC1)[C@H]1C(=O)OC(=O)[C@@H]12 100013083 YUHKVFTVEJNHJO-XHGVETGHSA-N 250.250 0.832 50 40 CCGB C=CCN1C(=O)CS/C1=N\NC(=O)c1ccncc1 4615465 TZQLZALVWYVQPP-QINSGFPZSA-N 276.321 0.844 50 40 CCGB COCCNc1ccc(C(=O)NN)cc1[N+](=O)[O-] 216939898 JBKAQTHOHIFOID-UHFFFAOYSA-N 254.246 0.257 50 40 CCGB C[C@H](CC(=O)O)CC(=O)NNC(=O)c1cccnc1 35315123 IAXMHICDBRXOPD-QMMMGPOBSA-N 265.269 0.344 50 40 CCGB CN(C)c1ccc(C=NNC(=O)c2nc[nH]n2)cc1 16186485 RMXGZMKJTVCWSJ-UHFFFAOYSA-N 258.285 0.635 50 40 CCGB O=C(CCCO)N/N=C/c1ccc([N+](=O)[O-])s1 1726942 NZBIHLGXPIXZMB-UXBLZVDNSA-N 257.271 0.879 50 40 CCGB CC(C)(C)C(=O)NNC(=O)CN1CCCCCC1=O 40489491 CMVKFRVYMHZIEA-UHFFFAOYSA-N 269.345 0.583 50 40 CCGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 21875062 FBXDKFBVELEJCB-APPZFPTMSA-N 262.265 0.832 50 40 CCGB CC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 33000696 MVYFRAGBFLVJIF-LBPRGKRZSA-N 289.335 0.824 50 40 CCGB CCC(=O)NNC(=S)NC(=O)c1ccccc1 2064527 AUAHLIBWGDCGLY-UHFFFAOYSA-N 251.311 0.732 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1 14250206 FWGKIYHBRXUZQO-UHFFFAOYSA-N 267.310 0.524 50 40 CCGB O=C1NC(=O)[C@@H](Br)[C@H]1Br 115371993 PPSCYXMFBQJFGC-XIXRPRMCSA-N 256.881 0.170 50 40 CCGB CSc1ncc(C(=O)NN)c(N2CCCC2)n1 223460263 RFNREFLKHSIGHN-UHFFFAOYSA-N 253.331 0.402 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OC)cc1OC 3057502 SCJZGZLPUBITEV-CXUHLZMHSA-N 291.307 0.456 50 40 CCGB CN1CCN(c2ncnc3c2cnn3CCCl)CC1 618255068 GORHIQORONSRHR-UHFFFAOYSA-N 280.763 0.817 50 40 CCGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccncc1 59459606 MQDHQJAWVMRISZ-WOJGMQOQSA-N 282.303 0.848 50 40 CCGB NNC(=O)[C@H](CO)NC(=O)c1ccc(Cl)c(Cl)c1 4723719 GMOBRYVDVAPDHH-QMMMGPOBSA-N 292.122 0.074 50 40 CCGB NNC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 40175680 GMAUHQBKYNBUBO-UHFFFAOYSA-N 251.673 0.645 50 40 CCGB Cn1ncc2c(NNC(=O)c3cccc(O)c3)ncnc21 20661895 CTOVCNFKZWFEBK-UHFFFAOYSA-N 284.279 0.826 50 40 CCGB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NN 2731919 WMYCFCXEWMSLMY-RXMQYKEDSA-N 250.224 0.836 50 40 CCGB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NN 3068403 YWHCCWKSNJVCGZ-JTQLQIEISA-N 280.284 0.339 50 40 CCGB NNC(=O)CNC(=O)COc1ccc(Cl)cc1Cl 2451343 GXJBOIPBMFWJRF-UHFFFAOYSA-N 292.122 0.478 50 40 CCGB CCOC(=O)[C@@H]1CCCN1C(=O)CBr 41719228 BMRNUEKTPPGWGO-ZETCQYMHSA-N 264.119 0.935 50 40 CCGB CCOC(=O)N1CC[C@@H](Br)[C@@H](O)C1 141607033 GLWZIDOUIYYEFY-RQJHMYQMSA-N 252.108 0.973 50 40 CCGB COc1cc(N2CCOCC2)ccc1/C=C(\C#N)C(N)=O 34066 ZIVJWZBOEWQPJW-XYOKQWHBSA-N 287.319 0.924 50 40 CCGB CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 33000699 MVYFRAGBFLVJIF-GFCCVEGCSA-N 289.335 0.824 50 40 CCGB CCCC(CCC)=NNC(=O)C(=O)NCCOC 58885602 NZXMEUCXMPPKKI-UHFFFAOYSA-N 257.334 0.821 50 40 CCGB CCCn1nnc(N2C[C@@H](C(=O)Cl)CC2=O)n1 45887978 VEWCOSFXIBJREP-LURJTMIESA-N 257.681 0.201 50 40 CCGB Cc1ncc(CO)c(/C=N/NC(=O)c2cccnc2)c1O 256087 TZVNADAFGGITNQ-REZTVBANSA-N 286.291 0.747 50 40 CCGB NC(=O)Cn1cc(/C=N/NC(N)=O)c2ccccc21 6080239 CZWLKNSUJFKHGI-PJQLUOCWSA-N 259.269 0.129 50 40 CCGB NNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 1467739 JPDONQYZYRXJAJ-UHFFFAOYSA-N 251.330 0.309 50 40 CCGB O=C(N/N=C/c1ccc(O)cc1)c1[nH]nnc1Cl 3767320 ZQQBOBWIDSNCAN-LFYBBSHMSA-N 265.660 0.928 50 40 CCGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(N)=O 408998728 SBOQBVHSUMLFTH-WUXMJOGZSA-N 251.246 0.663 50 40 CCGB COc1ccc(OC)c(NC(=S)NNC=O)c1 6289520 YZKCNVRKAIJVPM-UHFFFAOYSA-N 255.299 0.651 50 40 CCGB CS(=O)(=O)Sc1nnnn1-c1ccccc1 4544691 VDKUMSRXEDMOAE-UHFFFAOYSA-N 256.312 0.714 50 40 CCGB COCC(=O)NNC(=O)c1cc(OC)cc(OC)c1 6784569 CGVRUSOSECGJKR-UHFFFAOYSA-N 268.269 0.111 50 40 CCGB COCC(=O)NNC(=S)NCc1ccc(Cl)cc1 6490491 XLCFEXUQTYPDQJ-UHFFFAOYSA-N 287.772 0.982 50 40 CCGB CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1 34781256 LIHLZCFQBGCXOP-UHFFFAOYSA-N 275.780 0.284 50 40 CCGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccncc1 258359 UIIDVFBTFXNXJI-UHFFFAOYSA-N 285.259 0.885 50 40 CCGB O=C(CCl)NC(=O)NC[C@@H]1COc2ccccc2O1 2651780 SLCSYJWESAGGFJ-MRVPVSSYSA-N 284.699 0.891 50 40 CCGB COCCNC(=O)C(=O)N/N=C\c1ccc(C)cc1 59515398 NRMDLNPQOORTMO-DHDCSXOGSA-N 263.297 0.208 50 40 CCGB C/C(CN1C(=O)CCC1=O)=N\NC(=O)c1ccccc1O 4481669 MUECEXXHJHZXIO-OQLLNIDSSA-N 289.291 0.647 50 40 CCGB Cc1ccc2[nH]c(=O)c(/C=N/NC(N)=O)c(O)c2c1 5728652 AKVFMNKNDNRJFN-LHHJGKSTSA-N 260.253 0.544 50 40 CCGB CCNC(=S)NNC(=O)COc1ccc(F)cc1F 6655139 LEFHQTXQTHXCRB-UHFFFAOYSA-N 289.307 0.859 50 40 CCGB Cc1ccn(CC(=O)N/N=C/c2c(C)nn(C)c2F)n1 252478135 AECMBPPJALUFIU-MKMNVTDBSA-N 278.291 0.523 50 40 CCGB O=C(N/N=C/c1ccc(O)cc1)c1cnc[nH]c1=O 3124143 CNGASGMMBFHKKV-PJQLUOCWSA-N 258.237 0.239 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC)cc1 5465009 SCPDNDRMDVCHSJ-MHWRWJLKSA-N 275.308 0.838 50 40 CCGB Cc1cc(C)[n+](C[C@@H](O)CCl)n1C[C@H](O)CCl 4950561 NXZZCMWDCHHBOQ-PHIMTYICSA-N 282.191 0.592 50 40 CCGB CC(C)(CCl)C(=O)ON1C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100011407 RLUGIZGNCMVOBE-JBDRJPRFSA-N 299.710 0.648 50 40 CCGB CC(C)(C)CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9051589 JRPTULCIYCYGOR-YUMQZZPRSA-N 267.778 0.943 50 40 CCGB CO[Si](CCCOC[C@H]1COC(=O)O1)(OC)OC 195811941 MICBKZBCSXKCMF-VIFPVBQESA-N 280.349 0.807 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccc(O)cc1 23211591 YHCRHOHHIUQZJJ-NTEUORMPSA-N 263.297 0.175 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1cccc(Cl)c1 59515985 AXBWVMAGJFSKEQ-CXUHLZMHSA-N 297.742 0.943 50 40 CCGB C/C(=N\NC(=O)[C@@H]1C=NNC1=O)c1cccs1 100948951 RYCYPGRBNCJVDB-LFKKQGMHSA-N 250.283 0.320 50 40 CCGB CC(=O)NNC(=O)CSc1nc2nc(C)cc(C)n2n1 9595795 FSUHBUMFKLWBGQ-UHFFFAOYSA-N 294.340 0.001 50 40 CCGB COc1ccc(-c2ccc(C(=O)NN)c(N)n2)cc1 223464966 LIYOSIZDUWQBMQ-UHFFFAOYSA-N 258.281 0.943 50 40 CCGB COC(=O)[C@]1(NC(C)=O)C[C@@H](C)C(C)=C(C#N)O1 4267392 NPHVMGCIMALCDR-KRTXAFLBSA-N 252.270 0.846 50 40 CCGB O=C1CC[C@@H](N2C(=O)[C@@H]3CCCC[C@H]3C2=O)C(=O)O1 104194968 XTMMBQMJJKJFTB-IWSPIJDZSA-N 265.265 0.394 50 40 CCGB NNC(=O)Cc1cn2cc(C(F)(F)F)ccc2n1 43827698 BXPIUMAVBGACLH-UHFFFAOYSA-N 258.203 0.886 50 40 CCGB COc1cccc(/C=N/N(CC(=O)O)C(N)=O)c1OC 408973931 QVHFTWOOEUVNKO-MKMNVTDBSA-N 281.268 0.503 50 40 CCGB CS(=O)(=O)c1ccc(C[C@H]2NC(=O)OC2=O)cc1 1772714966 LQYCCJJARCQYKJ-SECBINFHSA-N 269.278 0.268 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccc(F)c(Br)c1 6224378 FXGYEYJXFWDQAI-YIXHJXPBSA-N 288.076 0.524 50 40 CCGB O=C(NNC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 1001767 UWINKBSUWZWBBD-UHFFFAOYSA-N 277.158 0.918 50 40 CCGB COCc1[nH]nc2c1[C@@]1(CCO[C@@H]1C)C(C#N)=C(N)O2 8568937 GYHPTVOZHOBPCC-FUXBKTLASA-N 276.296 0.689 50 40 CCGB NNC(=O)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 24494538 ZMFKFUDAMTVBCG-SNVBAGLBSA-N 268.361 0.731 50 40 CCGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1 4610968 OCHQZXQPUWKKLG-NTEUORMPSA-N 288.267 0.992 50 40 CCGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CC2)cc1 15793944 IWHKZXVFWAVJDB-UHFFFAOYSA-N 282.321 0.261 50 40 CCGB COC(=O)c1ccc(/C(N)=N/NC(=O)C2CC2)cc1 95951525 DCEXNRCGKBWQPQ-UHFFFAOYSA-N 261.281 0.620 50 40 CCGB CC(=O)OC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C 104209830 USACQMPRGKZFQG-QWRGUYRKSA-N 272.345 0.590 50 40 CCGB O=C(NNC(=O)C1CC1)c1ccc2c(c1)OCCO2 15794455 UEBQQPXBNQIJQO-UHFFFAOYSA-N 262.265 0.629 50 40 CCGB NNC(=O)CCCCSc1ncnc2nc[nH]c12 6694489 HWUPTXOIWQTTLI-UHFFFAOYSA-N 266.330 0.605 50 40 CCGB Cc1nnc(NNC(=O)c2cccs2)[nH]c1=O 22383388 BICSWHYZQOQGGI-UHFFFAOYSA-N 251.271 0.292 50 40 CCGB COc1cccc(/C=N/NC(=O)CN2CCOCC2)c1O 59246355 KEPZERKCTIKADQ-OQLLNIDSSA-N 293.323 0.183 50 40 CCGB CCOC(=O)NNC(=O)Cn1ccc(=O)c2ccccc21 58414332 VHXLYCIUODARJE-UHFFFAOYSA-N 289.291 0.779 50 40 CCGB O=C(N/N=C/C=N/NC(=O)c1ccccn1)c1ccccn1 2352697 KKGJPBITMNXNPN-BEQMOXJMSA-N 296.290 0.608 50 40 CCGB Cc1ccc(NC(=S)NNC(=O)C(N)=O)c(C)c1 3276885 KUZIHOXCJQVBDA-UHFFFAOYSA-N 266.326 0.106 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1 4703130 TUQYASLKNVNOMB-LICLKQGHSA-N 290.367 0.975 50 40 CCGB CC(C)COC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167638 RJFATVAALMAMAX-YUMQZZPRSA-N 285.818 0.938 50 40 CCGB O=C(NNC1=NCCCCC1)[C@@H]1CCS(=O)(=O)C1 575422406 BRVCBJXCHZZXTG-SECBINFHSA-N 273.358 0.014 50 40 CCGB N#CC(=CNCC(=O)O)C(=O)NCc1ccccc1 2049266433 NPIGKANRNPXMSI-UHFFFAOYSA-N 259.265 0.384 50 40 CCGB NNC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 66056549 SOYVHNGVLHKQRM-UHFFFAOYSA-N 277.324 0.681 50 40 CCGB NNC(=O)COc1ccnc2c(F)ccc(F)c12 64875190 HWSIPPKBSKRIDS-UHFFFAOYSA-N 253.208 0.882 50 40 CCGB NNC(=O)Cc1nnc(-c2ccc(Cl)cc2)o1 67172675 WJHZJYRZUSMTSL-UHFFFAOYSA-N 252.661 0.922 50 40 CCGB CC(C)Oc1cc(B(O)O)c(Br)cn1 169995402 PJONIWOYCSHBHC-UHFFFAOYSA-N 259.896 0.311 50 40 CCGB COc1c(O)ccc(/C=N/NC(N)=O)c1[N+](=O)[O-] 5526541 LERSTJRWELTIEM-NYYWCZLTSA-N 254.202 0.311 50 40 CCGB COc1ccc(CC(=O)NNc2ccc3nncn3n2)cc1 81797 KIEUNCVWLOEEPD-UHFFFAOYSA-N 298.306 0.819 50 40 CCGB COc1ccccc1C(=O)NNC(=O)C(=O)NCC(C)C 4838912 BEXRKUZAYFRCLM-UHFFFAOYSA-N 293.323 0.228 50 40 CCGB O=C(CCN1CCOCC1)NNC(=O)c1cccs1 25502093 VIFUMGFXIVKZKQ-UHFFFAOYSA-N 283.353 0.231 50 40 CCGB O=C(O)/C=C\C(=O)NNC(=O)c1ccccc1Cl 100234829 VQWHZTLHNWKGTK-WAYWQWQTSA-N 268.656 0.742 50 40 CCGB Cc1ccc(C(=O)NNC(=O)c2nccnc2N)cc1 14077418 BBTGGWWJVIMMPO-UHFFFAOYSA-N 271.280 0.442 50 40 CCGB CCOC(=O)[C@]12C=C[C@H](CC1)[C@@H]1C(=O)OC(=O)[C@@H]12 169797500 YUHKVFTVEJNHJO-LOKDSWTASA-N 250.250 0.832 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5377288 VSPJFYWELHSCRW-RIYZIHGNSA-N 276.252 0.347 50 40 CCGB Cn1/c(=N\NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc2ccccc21 103314644 OJLCJUQOQZKPJI-ZWNDVXAHSA-N 292.320 0.837 50 40 CCGB CCN(CC)CCCN(NC(C)C)C(=O)C1=NNC(=O)C1 103411844 DZUXAGMRBHDCCR-UHFFFAOYSA-N 297.403 0.336 50 40 CCGB C/C(=N\NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 5297336 LZVVEVZTANYYEY-OQLLNIDSSA-N 288.267 0.727 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(O)c1 408971818 LXQDMMQSAJIWDX-MBBDXHFBSA-N 263.297 0.757 50 40 CCGB O=C1c2nccnc2[C@H](O)N1[C@@H]1CC[C@@H](Cl)CN1 26892135 YJNRRXJWAKNWEG-XSSZXYGBSA-N 268.704 0.240 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(F)cc1 5380905 HPBKBSKAJIDKMC-VGOFMYFVSA-N 251.261 0.800 50 40 CCGB CC(C)(C(=O)NN)N1CCN(c2ccc(F)cc2)CC1 30769533 UQKFQXFUEQRLFJ-UHFFFAOYSA-N 280.347 0.716 50 40 CCGB CC1(C)Cc2ccccc2/C(=C/C(=O)C(=O)NN)N1 4729600 AGFJIQHAVMPQRK-XFFZJAGNSA-N 259.309 0.511 50 40 CCGB CCC/C(=N\NC(=O)Cn1nnnc1N)c1ccccc1 4897717 JWTCKBNPMSYACA-RVDMUPIBSA-N 287.327 0.576 50 40 CCGB CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Br 234347718 BTPQBHKLNXNWDE-RQJHMYQMSA-N 263.135 0.507 50 40 CCGB Nc1nnnn1CC(=O)N/N=C/c1cccc2ccccc12 264069 LWHJJBFLNIIGBY-LZYBPNLTSA-N 295.306 0.559 50 40 CCGB Cc1noc2ncc(C(=O)NNC(=O)[C@@H]3CCCO3)cc12 32260913 KDEKOPYHDZOVPE-JTQLQIEISA-N 290.279 0.471 50 40 CCGB O=C(O)CCC(=O)NNC(=O)COc1ccccc1 2742889 PCJCPGOIDPCYEG-UHFFFAOYSA-N 266.253 0.078 50 40 CCGB COC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1F 96013252 DXPQPHRAOKQAOG-UHFFFAOYSA-N 269.232 0.460 50 40 CCGB CC(C)OC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167625 UEHNESQRQLJKJZ-RNFRBKRXSA-N 271.791 0.690 50 40 CCGB C[N+](C)(C)CCOC(=O)CCSS(C)(=O)=O 2525870 WYSYVNMSDUUBRZ-UHFFFAOYSA-N 270.396 0.319 50 40 CCGB in-vitro CC(C)CS(=O)(=O)CCSS(=O)(=O)O 2283630 MIAPKXNDRHXHDR-UHFFFAOYSA-N 262.374 0.593 50 40 CCGB COCC(=O)NNC(=S)Nc1cccc(F)c1 6490496 XSANPJGGYMHVEO-UHFFFAOYSA-N 257.290 0.790 50 40 CCGB CCOC(=O)NNC(=O)[C@H]1Oc2ccccc2O[C@H]1C 23241922 BMKBMUGESKHSGO-KWQFWETISA-N 280.280 0.992 50 40 CCGB COc1ccc(O)c(/C=N\NC(=O)c2ccc(=O)[nH]n2)c1 85912739 RTFILTBTDXDZDA-AUWJEWJLSA-N 288.263 0.248 50 40 CCGB NNC(=O)c1[nH]nc(Br)c1Br 5941968 CAMYPJCFMIMITE-UHFFFAOYSA-N 283.911 0.538 50 40 CCGB COc1cccc(/C=N/NC(=O)C[n+]2ccccc2)c1O 1604400 DZFKYPVHSSMQSC-UHFFFAOYSA-O 286.311 0.839 50 40 CCGB CS(=O)(=O)[C@H](Cl)I 110763302 SCUDIYJTRIKZMX-UWTATZPHSA-N 254.476 0.988 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(O)c1 5749965 RQPJOYTUUVUDSM-WIJRQFRKSA-N 291.307 0.138 50 40 CCGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccncc1 4551579 TVKWXESSURAEEX-SNVBAGLBSA-N 280.353 0.370 50 40 CCGB CN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2)C1=O 34236171 OMLYMMVCQRYURH-CLFYSBASSA-N 288.263 0.353 50 40 CCGB O=C(O)CN1CC[C@@H](CI)C1 79390384 UPBWKDJOIKLTTO-LURJTMIESA-N 269.082 0.828 50 40 CCGB O=C(CBr)OCCCS(=O)(=O)O 1710100 HVTCXWFFAHQFGR-UHFFFAOYSA-N 261.093 0.202 50 40 CCGB CC(C)(CCl)C(=O)ON1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 2570222 RLUGIZGNCMVOBE-OJOKCITNSA-N 299.710 0.648 50 40 CCGB C=CCNC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 5224961 RZYKVRGRXIZFKY-UHFFFAOYSA-N 280.309 0.890 50 40 CCGB CN(CCCl)/N=N/c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 16990213 ZTUVUPVTWWSNGC-CCEZHUSRSA-N 299.722 0.130 50 40 CCGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CO 5536227 BABRAQRQBUNQGC-VGOFMYFVSA-N 274.280 0.329 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1cccc(F)c1 10109421 ATODBCUSNXWVDL-UHFFFAOYSA-N 260.290 0.791 50 40 CCGB COC(=O)[C@@H]1C[C@@H]2CC=C(C#N)O[C@H]2N1C(C)=O 245239755 MBLNUCGRWVQNNA-INTQDDNPSA-N 250.254 0.550 50 40 CCGB COc1ccccc1CC(=O)NNC(=O)c1cnccn1 11528319 RRQKRQZSWBJCIL-UHFFFAOYSA-N 286.291 0.489 50 40 CCGB CS/C(NC(N)=O)=C(\C#N)C(=O)NCc1ccco1 16248578 NLLVIKVAIWXFMD-CSKARUKUSA-N 280.309 0.662 50 40 CCGB CO[C@@H]1[C@@H](O)C[C@@H](C(=O)OCCl)[C@H]2CC[C@@H](O)C[C@@H]12 6380355 WQYCZHGVAMMJAK-MCNAKINOSA-N 292.759 0.899 50 40 CCGB O=C(NNC(=S)NC[C@@H]1CCCO1)C1CCCC1 6644814 YPQLHKPUSXLNCL-JTQLQIEISA-N 271.386 0.851 50 40 CCGB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NN 45957653 YBNBEBCMVIJZLD-UHFFFAOYSA-N 254.246 0.273 50 40 CCGB COc1cccc(/C=N/NC(=O)OCCO)c1O 3049009 BUJHEGUAXVKUOY-KPKJPENVSA-N 254.242 0.453 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccn1 5338733 UHXPOYUBXNKIKU-VCHYOVAHSA-N 283.291 0.243 50 40 CCGB C[C@@H]1C(=O)NN=C1C(=O)N/N=C\c1ccc(N(C)C)cc1 100937867 GBBOBRBILLIQJH-AVPSXBMNSA-N 287.323 0.325 50 40 CCGB N#C/C(N)=C(C#N)/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 2582220 DDXICRIRDVJOPD-NFOMOGAOSA-N 285.219 0.960 50 40 CCGB O=C(CCS(=O)(=O)C1CCCC1)NNC(=O)C1CC1 47908282 UBCKEXRCQSVXIT-UHFFFAOYSA-N 288.369 0.291 50 40 CCGB CC1(C)C(=NNC(N)=O)C(C)(C)C1=NNC(N)=O 221780 QVGCJDUCQYTUOM-UHFFFAOYSA-N 254.294 0.101 50 40 CCGB COc1cc(/C=N\NC(=O)C[C@H](C)O)ccc1O 104087170 BSSRACQDSKDDJJ-AXSHELLZSA-N 252.270 0.622 50 40 CCGB COc1cc(/C=N/NC(=O)NC(N)=O)ccc1O 27525176 YIABYIUCDMZNFJ-LFYBBSHMSA-N 252.230 0.113 50 40 CCGB CCC(=O)NNC(=O)CN1CCCc2ccccc21 15901177 BVSDIVOVIXWBFN-UHFFFAOYSA-N 261.325 0.997 50 40 CCGB CCCC(=O)NNC(=O)c1ccccc1C(=O)O 8569377 QUBJHDQJZQSCBG-UHFFFAOYSA-N 250.254 0.946 50 40 CCGB CNC(=O)[C@H](NC(=O)CBr)c1ccccc1 96511363 OAUUGJHYUPCEIS-SNVBAGLBSA-N 285.141 0.985 50 40 CCGB CC1=C[C@@H]([C@H]2CC(=O)OC2=O)C[C@@H]2C(=O)OC(=O)[C@@H]12 169744840 DGQOZCNCJKEVOA-ODXREFDESA-N 264.233 0.358 50 40 CCGB Cn1/c(=N\NC(=O)[C@H]2CCC(=O)N2)sc2ccccc21 102805570 COAOAJSMVKEOKL-XCCBJHSLSA-N 290.348 0.450 50 40 CCGB COCCNC(=S)NNC(=O)c1ccc(C)cc1OC 408586380 OFPDMUIDRAKOMU-UHFFFAOYSA-N 297.380 0.759 50 40 CCGB CC/C(=N\NC(N)=O)[C@H]1CCCC/C1=N\NC(N)=O 5482087 ANXDPRVDJZXAOC-RXHDKNDPSA-N 268.321 0.635 50 40 CCGB CC1=C[C@@H]2[C@H]3C(=O)OC(=O)[C@@H]3[C@H]1[C@H]1[C@H]3C(=O)OC(=O)[C@@H]3[C@H]12 98001492 KLCJBGADIXBIIG-IDPDXULQSA-N 288.255 0.070 50 40 CCGB N#CC(C#N)=C1C(=O)N(CC(N)=O)c2ccccc21 319738 CRXRWEMZCYZZIO-UHFFFAOYSA-N 252.233 0.319 50 40 CCGB COc1ccnc(NNC(=O)C[C@H]2CCCO2)n1 47089267 BECCTWOFBBEPRM-MRVPVSSYSA-N 252.274 0.497 50 40 CCGB CNC(=S)NNC(=O)COc1ccc(Cl)cc1 6734701 AVDGUAQFZYHVHC-UHFFFAOYSA-N 273.745 0.844 50 40 CCGB Cc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc1 16043705 VBUUXKGKAFKIEX-UHFFFAOYSA-N 271.276 0.758 50 40 CCGB CNC(=O)[C@H]1CCN(C(=O)[C@@H](C)Br)C1 242473218 FCPPDCPZFYMZIL-RQJHMYQMSA-N 263.135 0.364 50 40 CCGB O=C(CNC(=O)n1ccnc1)N/N=C/c1ccccc1O 12948751 OSTAEHRKYVOKSG-FRKPEAEDSA-N 287.279 0.297 50 40 CCGB O=C(N/N=C1\CCCc2nonc21)c1ccncc1 502107 GZFQTDSGEBXOJH-NTEUORMPSA-N 257.253 0.935 50 40 CCGB O=C(O)[C@@H]1[C@H]2C[C@H]([C@@H](O)[C@H]2Br)[C@H]1C(=O)O 4428287 HSXXTRKWGMTWDD-LXTYMGNCSA-N 279.086 0.162 50 40 CCGB Cn1cccc1C(=O)NNC(=O)c1n[nH]c2ccccc12 8746658 YVXQLUFZDOQBJO-UHFFFAOYSA-N 283.291 0.976 50 40 CCGB C/C(=N\NC(=O)CN1CCOCC1)c1ccccc1O 19202543 IFNFADRXFXKXGZ-RVDMUPIBSA-N 277.324 0.565 50 40 CCGB CC(=O)Oc1cc(OC(C)=O)cc(/C(C)=N/NC(N)=O)c1 5480034 RCQLUAAFBCYUDA-VIZOYTHASA-N 293.279 0.930 50 40 CCGB COC(=O)NNC(=O)c1ccc(OC(C)C)nc1 95943462 OVCMIESKDRHAAH-UHFFFAOYSA-N 253.258 0.870 50 40 CCGB COc1ccc(/C=N/NC(=O)[C@H](C)O)cc1OC 3095405 PKUYIJSQDNQNFZ-MTDSNMTDSA-N 252.270 0.535 50 40 CCGB N/C(=N\NC(=O)c1ccccc1N)c1cnccn1 72242840 HWHDXCCNWWQJIO-UHFFFAOYSA-N 256.269 0.109 50 40 CCGB COCC(=O)N/N=C1\C(=O)Nc2c(F)cc(F)cc21 223752386 MNWRLNGETRUIDX-UHFFFAOYSA-N 269.207 0.384 50 40 CCGB CN(Cc1ccco1)NC(=O)C(=O)NCc1ccco1 1576736 FTGRRDVSFIFMET-UHFFFAOYSA-N 277.280 0.652 50 40 CCGB COc1ccc(/C=N/NC(=O)Cn2cncn2)cc1O 3196444 HXVAGJWNYMYVKC-LHHJGKSTSA-N 275.268 0.143 50 40 CCGB CCOC(=O)c1cnc(N2CCNC(=O)C2)nc1CCl 72220991 BVHSOBCDCKUPDK-UHFFFAOYSA-N 298.730 0.328 50 40 CCGB O=C1c2ccccc2C(=O)N1CSS(=O)(=O)O 1711749 AOBJQDMPWIMULC-UHFFFAOYSA-N 273.291 0.776 50 40 CCGB COC(=O)NN=C1CCC(=NNC(=O)OC)CC1 205286 AOUWGEHBIYRFLK-UHFFFAOYSA-N 256.262 0.984 50 40 CCGB Cn1c(=O)c2c(nc(Cl)n2CCl)n(C)c1=O 1691239 BVGHPPFTSWMRDO-UHFFFAOYSA-N 263.084 0.283 50 40 CCGB CCOC(=O)[C@@H]1COC[C@@H](Br)C1=O 95836301 DNSOUEIDBRVJAZ-PHDIDXHHSA-N 251.076 0.529 50 40 CCGB CNC(=O)[C@H]1CCN(C(=O)[C@H](C)Br)C1 242473215 FCPPDCPZFYMZIL-BQBZGAKWSA-N 263.135 0.364 50 40 CCGB O=C(O)[C@H]1CO[P@](=O)(N(CCCl)CCCl)N1 1607343 KARSYOCVUSPXFA-KXHHVGMCSA-N 291.071 0.947 50 40 CCGB Cc1cc(C)nc(NNC(=O)c2cc[n+]([O-])cc2)n1 22234578 AFCPYERQDYUDCR-UHFFFAOYSA-N 259.269 0.484 50 40 CCGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C2CC2)c1C 8980832 BAFRDADKEJFFHZ-UHFFFAOYSA-N 293.323 0.979 50 40 CCGB N#C/C(=C\N1CCOCC1)C(=O)NCc1ccco1 96343694 JDRAYBVLCXJHPT-ZHACJKMWSA-N 261.281 0.635 50 40 CCGB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CCl 12504953 WDGHRRHYJWPHAQ-ZETCQYMHSA-N 288.756 0.850 50 40 CCGB O=C(NNS(=O)(=O)c1ccccc1)[C@@H]1CCCCCN1 217456635 NXCCIHWMDIDSLY-LBPRGKRZSA-N 297.380 0.528 50 40 CCGB O=C(CCl)NC(=O)NC[C@H]1COc2ccccc2O1 2651781 SLCSYJWESAGGFJ-QMMMGPOBSA-N 284.699 0.891 50 40 CCGB COC(=O)[C@@](CCl)(NC(C)=O)SC(C)=O 1558237 AJUDHPVJFUCOHK-QMMMGPOBSA-N 253.707 0.510 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1cccc(O)c1 59459649 OFHNALDFCHDEOV-MHWRWJLKSA-N 293.323 0.385 50 40 CCGB CN(C)C(=O)[C@]12CC[C@](C)(C(=O)OC1=O)C2(C)C 100748406 LSNGZNHEEACLJA-CHWSQXEVSA-N 253.298 0.971 50 40 CCGB NC(=O)[C@@H]1C[C@H](I)[C@H]2C[C@H]1C(=O)O2 104114806 ZKESUOLCYWKBII-ARQDHWQXSA-N 295.076 0.227 50 40 CCGB CCc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1 5477255 FFHXGUPMXMINNT-MHWRWJLKSA-N 277.324 0.462 50 40 CCGB Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NN)cc1 4750526 MBISWCGGLARJBA-UHFFFAOYSA-N 259.269 0.574 50 40 CCGB Cc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)[nH]n1 5687194 JDTVYFKBYRGNLP-DTWKUNHWSA-N 294.311 0.370 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3057860 VWDSDEXPJSDSFA-RIYZIHGNSA-N 292.295 0.960 50 40 CCGB O=C(O)CC/C(=N\NC(=O)c1ccccn1)C(=O)O 35729825 CTAHYOHYIPRBHR-MDWZMJQESA-N 265.225 0.117 50 40 CCGB O=C1NN=C[C@@H]1C(=O)N/N=C/c1cccc(Cl)c1 100948867 GSVWNHLNPNNDNT-ACJFOYDFSA-N 264.672 0.522 50 40 CCGB COC(=O)CCC(=O)NNC(=O)c1ccc(OC)cc1 3197138 HSZOLMHNUHISEL-UHFFFAOYSA-N 280.280 0.409 50 40 CCGB biogenic Nc1nonc1CC(=O)N/N=C/c1cccs1 4180465 VNGALKILDNYLKB-VZUCSPMQSA-N 251.271 0.406 50 40 CCGB O=C(NNS(=O)(=O)c1cccc(F)c1)c1ccccn1 9459964 QBHVMXZPGADVRO-UHFFFAOYSA-N 295.295 0.844 50 40 CCGB Cc1ccc(C(=O)/C=C(/O)C(=O)NNC(N)=S)cc1 100134903 JYUODTXORYAOJE-UXBLZVDNSA-N 279.321 0.484 50 40 CCGB CC(C)C(=O)N/N=C\c1ccc(OCC(N)=O)cc1 52725761 GDVLWAIXSYDNKV-CHHVJCJISA-N 263.297 0.657 50 40 CCGB CC(=O)NNC(=O)CCCNC(=O)NC1CCCCC1 48449612 VUSWHPXVROVKRD-UHFFFAOYSA-N 284.360 0.566 50 40 CCGB O=C1O[C@@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]13)[C@@H]2Br 3954469 YAUZWMLHLWHCLG-GLHUEIADSA-N 261.071 0.642 50 40 CCGB in-vitro COCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1 3059918 HNYKZPDUNXKKHP-OVCLIPMQSA-N 283.715 0.553 50 40 CCGB COC(=O)[C@]1(NC(C)=O)C[C@H](C)C(C)=C(C#N)O1 4267393 NPHVMGCIMALCDR-MADCSZMMSA-N 252.270 0.846 50 40 CCGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1 4703099 QBIMAAACAZFHPF-RIYZIHGNSA-N 263.297 0.670 50 40 CCGB NNC(=O)c1nc(Cc2ccc(Cl)cc2)no1 78404262 JONVOGKQNJRQAJ-UHFFFAOYSA-N 252.661 0.917 50 40 CCGB C[C@H](NC(=O)NNC(=O)c1cnccn1)c1ccccn1 26185153 NFMGYPYCTFXNSH-VIFPVBQESA-N 286.295 0.577 50 40 CCGB COc1ccc(/C=N/NC(=O)CO)cc1[N+](=O)[O-] 59459786 LEICUFYGCVKAKH-VZUCSPMQSA-N 253.214 0.046 50 40 CCGB NS(=O)(=O)c1ccc(C(=O)CBr)cc1 32627499 CYXRPWCLRVINRW-UHFFFAOYSA-N 278.127 0.912 50 40 CCGB NNC(=O)c1ccc(O)c(I)c1 199562671 FPUYECZDASNYGH-UHFFFAOYSA-N 278.049 0.600 50 40 CCGB COC(=O)[C@@H]1C[C@H]2CC=C(C#N)O[C@H]2N1C(C)=O 245239712 MBLNUCGRWVQNNA-DVVUODLYSA-N 250.254 0.550 50 40 CCGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 361464 ZYNOLBFTKQYZSN-GIJQJNRQSA-N 298.302 0.710 50 40 CCGB Cn1nc(C(=O)Nc2ccccc2Cl)cc1C(=O)NN 2784619 PNHYMUBUUFXNLQ-UHFFFAOYSA-N 293.714 0.929 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1 7782032 YOMPWDBYMOIXPZ-GFQQVXNGSA-N 275.308 0.432 50 40 CCGB O=C(CCC(=O)NNC(=O)C1CC1)NCc1ccccc1 1794769 JXBNHZHNHFAUFS-UHFFFAOYSA-N 289.335 0.640 50 40 CCGB COC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 100173481 BXVYBBSXCGDGSK-XGDQQJSASA-N 275.098 0.730 50 40 CCGB O=C(NNC(=O)C1CC1)c1nn(-c2ccccc2)cc1O 10158935 GFFMVXGLTLYFJS-UHFFFAOYSA-N 286.291 0.749 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccco2)n1 22440101 JFAGASLWSUTYPY-UHFFFAOYSA-N 262.269 0.554 50 40 CCGB CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NN 4543232 IZRWHXWQFUMTEG-UXBLZVDNSA-N 264.241 0.062 50 40 CCGB C[C@H](O)CCC(=O)N/N=C1\C(=O)Nc2ccccc21 6556166 RUUYQXUHAWYSFX-QMMMGPOBSA-N 261.281 0.620 50 40 CCGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@H](O)[C@@H]12 585660613 CVISOHZWXIVDFN-BFHYXJOUSA-N 278.304 0.673 50 40 CCGB biogenic,in-vitro NNC(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 1888986383 LICJYLAUDKJLTA-VIFPVBQESA-N 251.261 0.164 50 40 CCGB CCOC(=O)C(=O)NNc1c(C)csc1C(=O)OC 2158949 WMFBXQLTLGJUKE-UHFFFAOYSA-N 286.309 0.849 50 40 CCGB COC(=O)NNC(=O)C(=O)Nc1ccc(C)cc1 95955839 UUDFHKLKANKFBO-UHFFFAOYSA-N 251.242 0.321 50 40 CCGB C[C@@H](Cl)C(=O)N(C)CC(=O)NCC(F)(F)F 37831824 FSRVJCAQJUEXQY-RXMQYKEDSA-N 260.643 0.751 50 40 CCGB O=C(CNC(=O)c1ccccc1)NNC(=O)c1ccccc1 6426926 KEYRFWWJVABNCH-UHFFFAOYSA-N 297.314 0.878 50 40 CCGB CS(=O)(=O)[C@@H](Cl)I 110763306 SCUDIYJTRIKZMX-REOHCLBHSA-N 254.476 0.988 50 40 CCGB COc1ccc(-c2ocnc2C(=O)NN)cc1OC 223465328 QLYLDTNWFZGRLC-UHFFFAOYSA-N 263.253 0.962 50 40 CCGB CC(/C=N/NC(=O)[C@@H]1C=NNC1=O)=C\c1ccccc1 100948917 ZICSGVMEBKOGPP-QLMMBQNCSA-N 270.292 0.924 50 40 CCGB NNC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 2537689 YVBKGELWTUGJGW-UHFFFAOYSA-N 277.240 0.431 50 40 CCGB COc1ccc(OC)c(/C=N\NC(=O)c2nonc2N)c1 35183059 NNKAEKLIBZHZIP-NSIKDUERSA-N 291.267 0.433 50 40 CCGB Cc1cc(C)n(CC(=O)N/N=C/c2cn(C)nc2C)n1 130629 VAVUYOJYHHHDNV-MKMNVTDBSA-N 274.328 0.692 50 40 CCGB CC(=O)NNC(=O)C(=O)Nc1ccc(C(C)C)cc1 4976536 RZVOFESZQRQLOB-UHFFFAOYSA-N 263.297 0.916 50 40 CCGB CCOc1ccc([C@H](O)Cn2cc(C(=O)NN)nn2)cc1 85345086 BURJVZFIGJJGJA-GFCCVEGCSA-N 291.311 0.014 50 40 CCGB COc1cc(C(=O)NNC(=O)c2ccccn2)ccn1 32921951 AWYFXWMCUPKQSS-UHFFFAOYSA-N 272.264 0.560 50 40 CCGB Cc1nc(COc2ccccc2)ncc1C(=O)NN 223457728 NSYWXCIZLHNCBR-UHFFFAOYSA-N 258.281 0.968 50 40 CCGB O=C(Cl)CCN1C(=O)c2ccccc2S1(=O)=O 95470265 IVHWJMUMUPSNCI-UHFFFAOYSA-N 273.697 0.987 50 40 CCGB CCS(=O)(=O)[C@H](I)C#N 96522091 AAEAWUDOYJFHOH-BYPYZUCNSA-N 259.068 0.706 50 40 CCGB COC(=O)NNC(=S)NC(=O)c1ccccc1 2906992 IDBBHLGNAIZZPU-UHFFFAOYSA-N 253.283 0.562 50 40 CCGB CCNC(=O)NNC(=O)[C@H]1CC(c2cccs2)=NO1 5598022 PLRQBXSBLMEEKL-MRVPVSSYSA-N 282.325 0.591 50 40 CCGB C/C(Cn1nnc2ccccc21)=N\NC(=O)CC#N 5890288 LFUBCIHOTSIKKU-NTEUORMPSA-N 256.269 0.837 50 40 CCGB O=C(NNc1ncnc2[nH]cnc12)c1cccnc1 16758162 ZPIMWKXPHVKDDF-UHFFFAOYSA-N 255.241 0.505 50 40 CCGB COc1cc(/C=N/NC(=O)[C@@H](C)O)cc(OC)c1OC 5531454 SNVIJANCVPOMOU-WPIAHNSYSA-N 282.296 0.543 50 40 CCGB COc1ccc(OC)c(CC(=O)NNC(N)=S)c1 20134155 CZFLDKXJPGXLAN-UHFFFAOYSA-N 269.326 0.111 50 40 CCGB CCCCOc1ccccc1C(=O)NCC(=O)NN 3068389 BGYNRFKRXPNFBO-UHFFFAOYSA-N 265.313 0.585 50 40 CCGB NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 4294055 WKXKEAUJNOPOFY-UHFFFAOYSA-N 262.313 0.920 50 40 CCGB O=C(O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 105001601 YAUZWMLHLWHCLG-XLCKTPMPSA-N 261.071 0.642 50 40 CCGB CC1=C(C#N)C(=O)N(CCO)C(=O)[C@@H]1CN1CCCCC1 1461703 QOVXBRXCCXPAMG-CYBMUJFWSA-N 291.351 0.290 50 40 CCGB C=CCNC(=O)NNC(=O)c1ccc2c(c1)OCO2 12730531 WVXWQEOFCQKPBK-UHFFFAOYSA-N 263.253 0.545 50 40 CCGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NC(C)C)c1 5380869 BFUQZYBGYLYEJG-OVCLIPMQSA-N 293.323 0.679 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1cccs1 5511667 GMUZOIGFDSGLKW-NTEUORMPSA-N 283.353 0.741 50 40 CCGB Cc1cccc(OCC(=O)NNC(=O)CCCC(=O)O)c1 12137478 SAALPBWIGANFAG-UHFFFAOYSA-N 294.307 0.776 50 40 CCGB CN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)OC1=O)C2(C)C 100748403 LSNGZNHEEACLJA-STQMWFEESA-N 253.298 0.971 50 40 CCGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccncc1 4611227 XAOBVVKZWPXIHK-RIYZIHGNSA-N 289.255 0.387 50 40 CCGB CC(C)CNS(=O)(=O)c1cccc(C(=O)NN)c1 225499257 UOSRUHULONNUDH-UHFFFAOYSA-N 271.342 0.224 50 40 CCGB COc1cc(/C=N/NC(=O)[C@H](C)O)cc(OC)c1OC 5515431 SNVIJANCVPOMOU-QZNXTOQNSA-N 282.296 0.543 50 40 CCGB C[n+]1ccn(CCCNC(=O)C(Cl)Cl)c1 1862155 AHVZJTLSRMRPCE-UHFFFAOYSA-O 251.137 0.623 50 40 CCGB COc1cc(/C=N/NC(=O)C[C@H](C)O)ccc1O 1703045 BSSRACQDSKDDJJ-MTDSNMTDSA-N 252.270 0.622 50 40 CCGB COC(=O)[C@@](C)(CCBr)S(C)(=O)=O 1565505026 VLQFDTMNCJXVKM-SSDOTTSWSA-N 273.148 0.748 50 40 CCGB in-vitro CCOC(=O)[C@H]1CC=C(C#N)O[C@@]1(C)NC(C)=O 4267756 BPYWQISGBXESGJ-ZYHUDNBSSA-N 252.270 0.846 50 40 CCGB CN(NC(=O)CCl)C1=NS(=O)(=O)c2ccccc21 6638008 GSMYZQDVUQKAGY-UHFFFAOYSA-N 287.728 0.337 50 40 CCGB Nc1nnnn1CC(=O)N/N=C\C=C/c1ccccc1 33706593 BIKOTJXHBOGACJ-STIUHYITSA-N 271.284 0.071 50 40 CCGB Nc1nc(CCCl)nc(N2CCSCC2)n1 40175475 WPZOFUJCFURYEZ-UHFFFAOYSA-N 259.766 0.788 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1 193402 WBVCYTVMWLOMNX-AWNIVKPZSA-N 277.309 0.519 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1cccs1 3061882 ICRHOLUSZCGRHF-CXUHLZMHSA-N 288.332 0.910 50 40 CCGB CNC(=O)[C@@H]1CCN(C(=O)[C@@H](C)Br)C1 242473217 FCPPDCPZFYMZIL-RNFRBKRXSA-N 263.135 0.364 50 40 CCGB NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3186056 JHVLVYXHBGGAFG-UHFFFAOYSA-N 269.326 0.075 50 40 CCGB CNC(=S)NNC(=O)[C@@H](C)Oc1ccc(F)cc1F 6852729 OBMZXFSIBAYSNY-ZCFIWIBFSA-N 289.307 0.857 50 40 CCGB CCC(=O)N(N)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 71404991 WMFGUGBJUINJIZ-UHFFFAOYSA-N 270.201 0.825 50 40 CCGB CCN(CC)CC(=O)NNc1nc(C)cc(C)n1 49037831 KNGVUOAMMKWWGU-UHFFFAOYSA-N 251.334 0.878 50 40 CCGB CC1=CC2(C)[C@H]3C(=O)OC(=O)[C@H]3C1[C@@H]1C(=O)OC(=O)[C@@H]12 169797515 VPEBWHJXHKKKRE-ANLDIVKNSA-N 276.244 0.214 50 40 CCGB COc1ccc(/C=N/NC(=O)CC#N)cc1[N+](=O)[O-] 59465347 VTCFYZGCTUMFCX-NTUHNPAUSA-N 262.225 0.967 50 40 CCGB CCNC(=O)N(C)NC(=O)CCn1c(C)csc1=O 95457357 KMRDNOZAVBQPTM-UHFFFAOYSA-N 286.357 0.301 50 40 CCGB COc1cccc(/C=N/NC(=O)c2no[n+]([O-])c2C)c1 175682 USNZQBBJRFYLAK-NTUHNPAUSA-N 276.252 0.389 50 40 CCGB O=S(=O)(O)SC/C=C\CSS(=O)(=O)O 5812554 XDGHLICKMMGNKZ-UPHRSURJSA-N 280.370 0.615 50 40 CCGB CC1=NC=C(CO)/C(=C\NNC(=O)c2ccncc2)C1=O 100525909 HOYFGBFEIXEDEL-KPKJPENVSA-N 286.291 0.120 50 40 CCGB COc1cc(/C=N/NC(N)=O)cc(OC)c1OC 3066030 GBKQSFGIFPFHEB-AWNIVKPZSA-N 253.258 0.715 50 40 CCGB biogenic O=C(N/N=C/c1ccc(O)cc1)c1ccc[n+]([O-])c1 3166353 JBJAOTWQEFVMMK-RIYZIHGNSA-N 257.249 0.790 50 40 CCGB Cc1ccc(S(=O)(=O)N[C@H]2CC(=O)OC2=O)cc1 100140173 VNMAMGMXPZCSRG-VIFPVBQESA-N 269.278 0.115 50 40 CCGB NC(=O)N/N=C/c1coc2ccc([N+](=O)[O-])cc2c1=O 546626 SWSMCHZUUSHKAN-YIXHJXPBSA-N 276.208 0.703 50 40 CCGB Cn1ccnc1SCC(=O)NNC(=O)c1ccccc1 6369328 GLLWAAFHNVIOTL-UHFFFAOYSA-N 290.348 0.973 50 40 CCGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)C(N)=O 4863675 DNKJNCFMDAZTPI-OVCLIPMQSA-N 277.280 0.325 50 40 CCGB COCc1cc(C)nc2sc(C(=O)NN)c(N)c12 5336811 XFXWTHLQHGMNIT-UHFFFAOYSA-N 266.326 0.937 50 40 CCGB O=C(NNS(=O)(=O)c1ccccc1)c1cccnc1 320624 LJMCUUNDKMWSJZ-UHFFFAOYSA-N 277.305 0.705 50 40 CCGB in-vitro O=C(Cn1cncn1)N/N=C/c1ccc2c(c1)OCO2 547902 JIGABCDFLWVERW-LNKIKWGQSA-N 273.252 0.157 50 40 CCGB CC(=O)NNC(=O)CSc1nc2ccccc2n1C 9318253 FRZUPLMPNZRVKN-UHFFFAOYSA-N 278.337 0.833 50 40 CCGB CNC(=O)[C@@H](NC(=O)CBr)c1ccccc1 96511364 OAUUGJHYUPCEIS-JTQLQIEISA-N 285.141 0.985 50 40 CCGB Cc1cc(C)nc(NNC(=O)Cn2ccccc2=O)n1 40489523 HKIOXMHWEZGVJZ-UHFFFAOYSA-N 273.296 0.398 50 40 CCGB Nc1nc(C(=O)N/N=C/c2c[nH]c3ccccc23)n[nH]1 179153 FFONHJGHSIRXOX-GIDUJCDVSA-N 269.268 0.632 50 40 CCGB CC(=O)OC1=C[C@]2(OC(C)=O)CC[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104130669 POHOCVYIJHCYKB-CYFJXOGMSA-N 294.259 0.475 50 40 CCGB Cc1cc(N2CCOCC2)ccc1/C=N/NC(N)=O 409098965 NARAHSRELQEFBS-OQLLNIDSSA-N 262.313 0.834 50 40 CCGB COC(=O)c1ccc(C#Cc2ccc(B(O)O)cc2)cc1 504680434 FFNTXLKMHFNEGA-UHFFFAOYSA-N 280.088 0.553 50 40 CCGB O=C(NNC(=O)C1CC1)c1csc([N+](=O)[O-])c1 42567977 GHDYWEMZJIWUCO-UHFFFAOYSA-N 255.255 0.827 50 40 CCGB O=[P@@]1(N(CCCl)CCCl)N[C@@H](CO)CO1 1557727 VJROFXNBYFQPON-ZIDLFYJRSA-N 277.088 0.855 50 40 CCGB Cc1cc(C)n2nc(C(=O)N/N=C/c3ccccn3)nc2n1 131963 MHSGSJCSIHHFOJ-LZYBPNLTSA-N 295.306 0.900 50 40 CCGB N#CC(C#N)=CNCCN1CCN(C=C(C#N)C#N)CC1 22867495 ZKPDRENHARTYFL-UHFFFAOYSA-N 281.323 0.056 50 40 CCGB in-vitro COC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 30529829 VNWCOZYAMAFTBK-UHFFFAOYSA-N 289.269 0.453 50 40 CCGB CCNC(=O)NNC(=O)Cc1ccc(OC)cc1 46907246 AQGSAGMMPSKXEY-UHFFFAOYSA-N 251.286 0.588 50 40 CCGB CC(C)(C)NC(=S)NNC(=O)c1ccccn1 14894657 JMCAXHMMXBXWPY-UHFFFAOYSA-N 252.343 0.989 50 40 CCGB Cc1ccc(-n2nc(C(=O)NN)c(C)c(C#N)c2=O)cc1C 563215 FBKNXXVULBEVCG-UHFFFAOYSA-N 297.318 0.633 50 40 CCGB O=C(N/N=C/c1cccc(O)c1)c1ccc(O)nn1 547205 OEORSOSOLOEUCU-NTUHNPAUSA-N 258.237 0.652 50 40 CCGB COCc1[nH]nc2c1[C@]1(CCO[C@@H]1C)C(C#N)=C(N)O2 4452999 GYHPTVOZHOBPCC-UHLUBPPHSA-N 276.296 0.689 50 40 CCGB CS(=O)(=O)c1ccc(N2CCC(C(=O)NN)CC2)cc1 15443113 NYRAPOACBIPUAX-UHFFFAOYSA-N 297.380 0.296 50 40 CCGB N#CC1=C(N)Nc2ncnn2[C@H]1c1ccc([N+](=O)[O-])cc1 13123081 YGVMJHWJMFHNKI-JTQLQIEISA-N 283.251 0.895 50 40 CCGB COc1ccc(/C=C/C(=O)NNC(N)=S)c(OC)c1 62714800 ABYOVPRSUDCWNK-GQCTYLIASA-N 281.337 0.581 50 40 CCGB CN1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@@H]2C#N 4784795 RFRLNWVLYUICSQ-QMMMGPOBSA-N 262.338 0.633 50 40 CCGB NNC(=O)c1nnn(-c2ccc(F)cc2)c1-n1cccc1 67172554 SPQUCGKFDVZMFL-UHFFFAOYSA-N 286.270 0.801 50 40 CCGB CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)cc1 408797846 HCRRZTJTWDBGHV-YRNVUSSQSA-N 274.276 0.891 50 40 CCGB NNC(=O)CCN1CCN(Cc2ccccc2)CC1 19229918 YKWAOYLJMUZSBP-UHFFFAOYSA-N 262.357 0.184 50 40 CCGB CCC(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 2064467 NTOCSPKXAQIDBS-UHFFFAOYSA-N 296.308 0.640 50 40 CCGB COc1cc(/C=N/NC(=O)c2cc[n+]([O-])cc2)ccc1O 1464941 SRCYXKWWTFBYCB-OQLLNIDSSA-N 287.275 0.798 50 40 CCGB NNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 144021270 GVRVTQQSKBQLMT-UHFFFAOYSA-N 264.285 0.801 50 40 CCGB CC[C@@]1(C)S(=O)(=O)C[C@H](CCl)S1(=O)=O 4723134 CJYZXZOSIGSEAG-BQBZGAKWSA-N 260.764 0.563 50 40 CCGB N/C(=N\NC(=O)c1cccc(N)c1)c1ccccn1 46085267 GDBSHERASVWQOZ-UHFFFAOYSA-N 255.281 0.714 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1O 7812940 ICWPGPLDLNTSOV-AXLKIAQESA-N 291.307 0.138 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1ccccn1 59459716 AMUNVZHTUJKSMS-MHWRWJLKSA-N 278.312 0.075 50 40 CCGB NC(=O)N/N=C/c1cc(CN2CCOCC2)cs1 19874004 CVJGXAOWKGYYQB-AWNIVKPZSA-N 268.342 0.583 50 40 CCGB COCC(=O)NNC(=O)Cc1ccc(Cl)cc1 4600553 SLBDXZRRGVWMRK-UHFFFAOYSA-N 256.689 0.676 50 40 CCGB O=C(CSc1ncn[nH]1)NNC(=O)c1ccccc1 5736716 IOKPAZCKHOHGSP-UHFFFAOYSA-N 277.309 0.358 50 40 CCGB C[C@@](CC(=O)NNC(=O)C1CC1)(C(=O)O)c1ccccc1 16479303 HLUXKORYRPXFAA-HNNXBMFYSA-N 290.319 0.976 50 40 CCGB Cc1ncc(CO)c(/C=N\NC(=O)c2ccncc2)c1O 17141789 BQYIXOPJPLGCRZ-IDUWFGFVSA-N 286.291 0.747 50 40 CCGB Cc1ccsc1C(=O)NNC(=O)/C=C/C(=O)O 2783125 FOMAQRFWSMKVEM-NSCUHMNNSA-N 254.267 0.458 50 40 CCGB NNC(=O)c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 4053576 VLDLBNXYPFWQFF-UHFFFAOYSA-N 282.325 0.752 50 40 CCGB COc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1 66057366 UUVOBHVOQLBJEO-UHFFFAOYSA-N 277.324 0.537 50 40 CCGB COCCNC(=S)NNC(=O)c1ccc(C)cc1 16272779 NXNUWWSBGJSJTC-UHFFFAOYSA-N 267.354 0.750 50 40 CCGB CC(C)c1ccc2c(c1)/C(=N\NC(=O)C(N)=O)C(=O)N2 5560660 ATZUKZWYDQQOMY-UHFFFAOYSA-N 274.280 0.068 50 40 CCGB CC(=O)NNC(=O)CSc1ccc([N+](=O)[O-])cc1 22699639 HDPPGMCCVRBSIJ-UHFFFAOYSA-N 269.282 0.854 50 40 CCGB COc1ccccc1/C=C/C=N/NC(=O)[C@@H]1C=NNC1=O 100948943 LEDBPERMRNDJTO-MDSFTAHASA-N 286.291 0.542 50 40 CCGB Cn1nccc1CNC(=O)NNC(=O)c1cccs1 12984909 HPVMVKMRCKNHKQ-UHFFFAOYSA-N 279.325 0.626 50 40 CCGB CCCn1c(N)c(C(=O)[C@H](C)Cl)c(=O)n(C)c1=O 3887013 AXLIAEFKTSQYQP-LURJTMIESA-N 273.720 0.349 50 40 CCGB COc1ccc2c(c1)c(=O)ccn2CCC(=O)NN 64873651 VIAWRTZSXPXNTQ-UHFFFAOYSA-N 261.281 0.390 50 40 CCGB CCCCC(=O)NN/C=C1/C(=O)N(CC)C(=S)N=C1O 6782945 AUSZLZUDEVYBOU-BQYQJAHWSA-N 298.368 0.785 50 40 CCGB Cc1cccc(C)c1NC(=O)C[n+]1ccc(C(=O)NN)cc1 226823177 QIIODWXUZOAAKZ-UHFFFAOYSA-O 299.354 0.833 50 40 CCGB COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 105231755 BXVYBBSXCGDGSK-ACQOQSQZSA-N 275.098 0.730 50 40 CCGB COc1ccc(C)cc1CC(=O)NNC(N)=S 20134111 WZWUNEUNIDCTQS-UHFFFAOYSA-N 253.327 0.411 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 59515461 PUBHIQOREWDRGF-OVCLIPMQSA-N 291.307 0.750 50 40 CCGB CCOc1cc(/C=N/NC(=O)[C@H](C)O)ccc1O 59515366 IUAXQNLPIJUHPM-MTDSNMTDSA-N 252.270 0.622 50 40 CCGB COc1ccc(S(N)(=O)=O)cc1NC(=O)CCl 37011865 CMMDHZUSFBBXIB-UHFFFAOYSA-N 278.717 0.520 50 40 CCGB COc1ccc(OC)c2c1c(=O)cc(C)n2CC(=O)NN 40175647 UZNFQCVWSKUDPZ-UHFFFAOYSA-N 291.307 0.317 50 40 CCGB OB(O)c1c(C(F)(F)F)cncc1C(F)(F)F 169810365 NVYHXZODZMWLOS-UHFFFAOYSA-N 258.914 0.799 50 40 CCGB CC(C)(C)[C@@]1(OCCO)OC(N)=C(C#N)C1=C(C#N)C#N 100240599 PKDRBMIZBUWEDQ-AWEZNQCLSA-N 288.307 0.806 50 40 CCGB N#CC1=C(N)NC(=O)[C@@H](C(N)=O)[C@H]1c1ccccc1Cl 1578353 GJVSWTDPBQXGAN-VHSXEESVSA-N 290.710 0.349 50 40 CCGB NNC(=O)c1c[nH]c2ccc(Br)cc2c1=O 2523510 HWOPDVQLXVYZSB-UHFFFAOYSA-N 282.097 0.894 50 40 CCGB CC(C)NC(=O)C(=O)NNC(=O)CCc1ccccc1 4996284 BPKSPKREFQHGEZ-UHFFFAOYSA-N 277.324 0.291 50 40 CCGB CC(=O)NNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 23198967 UKOZLLXRTYRMEH-MRVPVSSYSA-N 264.285 0.364 50 40 CCGB CNC(=O)C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 408995878 FLLNKRQNDGZUND-OMCISZLKSA-N 273.214 0.902 50 40 CCGB CCOC(=O)C1=C(CBr)NC(=O)NC1 4205492 XCSPAPSTDLJWOA-UHFFFAOYSA-N 263.091 0.511 50 40 CCGB in-vitro O=C(/C=C/c1ccccc1)NNC(=O)c1cnccn1 199747 YTAWAQUOPNZWEF-VOTSOKGWSA-N 268.276 0.951 50 40 CCGB Nc1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1 2525836 BFLNGKUCFYKCFZ-RKDXNWHRSA-N 293.150 0.583 50 40 CCGB in-vivo O=C(N[C@H]1CCS(=O)(=O)C1)OC(CCl)CCl 59568367 KAZALPBAXXGIPM-LURJTMIESA-N 290.168 0.746 50 40 CCGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1ccccn1 4132115 AGJZXLVZUBHJAY-NTUHNPAUSA-N 295.276 0.685 50 40 CCGB CNC(=S)NNC(=O)Cc1ccc(OC)cc1 13635835 OAUNZPNZVVWOBR-UHFFFAOYSA-N 253.327 0.363 50 40 CCGB N#C/C(=C/c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(N)=O 1721426 SQBCQUDHCYPYJD-BHQIHCQQSA-N 278.180 0.601 50 40 CCGB CCCCNC(=S)NNC(=O)c1cc(C)nn1C 2743975 XZVMRIQHNFOVGK-UHFFFAOYSA-N 269.374 0.638 50 40 CCGB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCCl 10049336 UFUVSLHWZULYDP-UHFFFAOYSA-N 295.730 0.613 50 40 CCGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccco1 59515615 ZMZFTNZHMFHMRK-CXUHLZMHSA-N 272.264 0.441 50 40 CCGB COC(=O)NNS(=O)(=O)c1c(C)cc(OC)cc1C 29046451 YRSBSPAIOQBVHU-UHFFFAOYSA-N 288.325 0.861 50 40 CCGB O=C(CN1CCc2ccccc21)NNc1ncccn1 49341498 RJDKOAUTRBBDIB-UHFFFAOYSA-N 269.308 0.982 50 40 CCGB O=S(=O)(O)CCc1cc[n+](CCBr)cc1 3040193 ZHKSBNVIKIWBKR-UHFFFAOYSA-O 295.178 0.799 50 40 CCGB C[C@@H]1Cc2cc(C(=O)NN)ccc2N1S(C)(=O)=O 10323913 IHCHRUDORARGHT-SSDOTTSWSA-N 269.326 0.001 50 40 CCGB Cc1ccc(S(=O)(=O)NNC(=O)CCl)cc1 3161442 WNBNYAJIKKSMTA-UHFFFAOYSA-N 262.718 0.543 50 40 CCGB Cc1c(C(=O)NNC(N)=S)sc(=S)n1C 2244555 HLNIUMYWQGIIPG-UHFFFAOYSA-N 262.385 0.603 50 40 CCGB CC1=CC(=O)/C(=C(/C)NNC(=O)CCCC(=O)O)C(=O)O1 95101246 YRLWLFYBQVMVQN-XYOKQWHBSA-N 296.279 0.166 50 40 CCGB CCCCNC(=S)NNC(=O)c1ccncc1 5782071 OOCYXICFMNIYAZ-UHFFFAOYSA-N 252.343 0.991 50 40 CCGB CCCOc1ccc(CN2C[C@H](C(=O)NN)CC2=O)cc1 1888994944 ISEQPPNWZWBIEP-GFCCVEGCSA-N 291.351 0.814 50 40 CCGB CCOC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 2271528 RRVCSTXJELYKMW-RIYZIHGNSA-N 280.280 0.717 50 40 CCGB CCN(CC)S(=O)(=O)c1ccc(C(=O)NN)cc1 2787063 WTNFOCCDKKVGEC-UHFFFAOYSA-N 271.342 0.321 50 40 CCGB Nc1nnn(CC(=O)N/N=C/C=C/c2ccccc2)n1 2318975 LQTKHJUBFUBIRF-CUJDEGIUSA-N 271.284 0.071 50 40 CCGB O=C(Cc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9486406 VYWMKGMBTQJGPV-WDEREUQCSA-N 287.768 0.750 50 40 CCGB COc1ccc(OCc2ncc(C(=O)NN)c(C)n2)cc1 223457890 PYJAWWDRUIYPIB-UHFFFAOYSA-N 288.307 0.976 50 40 CCGB CCOC(=O)C(=O)NNc1nccc(C(F)(F)F)n1 2555827 XJDJGUSICDOBSX-UHFFFAOYSA-N 278.190 0.502 50 40 CCGB COC(=O)[C@](C)(CCBr)S(C)(=O)=O 1565505027 VLQFDTMNCJXVKM-ZETCQYMHSA-N 273.148 0.748 50 40 CCGB in-vitro CC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)NN)c1 225499302 FNZSYCPWBGTSIQ-MRVPVSSYSA-N 271.342 0.367 50 40 CCGB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN 98037929 NMZANECBVWWSFH-SSDOTTSWSA-N 263.363 0.623 50 40 CCGB Cc1c(/C=N/NC(N)=O)c(=O)n(-c2ccccc2)n1C 3055665 NDFYURVVHWVKPJ-OVCLIPMQSA-N 273.296 0.487 50 40 CCGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1O 59386545 XNCVCUFSTRFCHG-OQLLNIDSSA-N 263.297 0.759 50 40 CCGB O[C@H]1C=C[C@@H](O)[C@H](Br)[C@H]1Br 108452958 DHMGPRNBMJDWOM-FSIIMWSLSA-N 271.936 0.805 50 40 CCGB CNC(=S)NNC(=O)COc1ccccc1Cl 6639480 RCWRXZUFFWXAKL-UHFFFAOYSA-N 273.745 0.844 50 40 CCGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2nc[nH]c(=O)c21 72408142 ZPQLFOYNCMAUCB-NSHDSACASA-N 296.286 0.997 50 40 CCGB O=C(N/N=C/c1cccc2nccnc12)[C@@H]1CCCN1 5047326 CGRUWHGCJBFTTN-BEAUZRKQSA-N 269.308 0.832 50 40 CCGB O=C(NCCn1cc([N+](=O)[O-])cn1)C(Cl)Cl 2774895 WRLWVCADIZDTGH-UHFFFAOYSA-N 267.072 0.711 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccco1 59515621 YAWDFDUJNNQRRQ-CXUHLZMHSA-N 272.264 0.441 50 40 CCGB CCOC(=O)COc1ccc(/C=N/NC(N)=O)cc1 107960753 PUZDCYQRKUDZIT-VGOFMYFVSA-N 265.269 0.631 50 40 CCGB Nc1nc(N2CCCC2)[nH]c(=O)c1C(=O)CCl 72415076 MEVRNRUPQVQSCW-UHFFFAOYSA-N 256.693 0.374 50 40 CCGB CCN(c1ccc(CC(=O)NN)cc1)S(C)(=O)=O 226106204 ZBGMHVZWLJWEEM-UHFFFAOYSA-N 271.342 0.005 50 40 CCGB CCOc1ncccc1C(=O)OCC(=O)/C(C#N)=C(/C)N 104541753 HROWLNNAMBCFKA-LUAWRHEFSA-N 289.291 0.962 50 40 CCGB O=C1NCCC[C@H]1C(=O)N/N=C/c1ccc(O)cc1 236658 FSSLKHARVGMDME-OXFWXOROSA-N 261.281 0.369 50 40 CCGB Cc1nn(C)c(C)c1C(=O)NNC(=O)c1ccccn1 29505282 CEXUWGDCCCGJTJ-UHFFFAOYSA-N 273.296 0.507 50 40 CCGB CCN(C(=O)[C@H](C)Cl)[C@H]1CCS(=O)(=O)C1 8428170 VOIBFKKTLCVMCG-YUMQZZPRSA-N 253.751 0.649 50 40 CCGB COc1cccc(/C=N/NC(=O)Cn2cncn2)c1 547944 HXMNYFOKVOJYNY-MKMNVTDBSA-N 259.269 0.437 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 3057505 NEPTXPPUSGQSDR-VIZOYTHASA-N 275.264 0.168 50 40 CCGB CCOC(=O)C1=C(CBr)NC(=O)N[C@@H]1C 160499 XSNBUBULHHFXMW-RXMQYKEDSA-N 277.118 0.900 50 40 CCGB in-vitro Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 3045130 JZNDTBXYSDDAIA-WLRTZDKTSA-N 293.308 0.224 50 40 CCGB O=C(CCl)N([C@H]1CCS(=O)(=O)C1)[C@@H]1N=CN=N1 217381115 FOAYRUXZAJDRNX-POYBYMJQSA-N 278.721 0.019 50 40 CCGB COc1ccccc1/C=N/NC(=O)C[N+](C)(C)C 17002388 AYKPNBVHZXKFQM-NTEUORMPSA-O 250.322 0.852 50 40 CCGB O=C(O)[C@@H]1CO[P@](=O)(N(CCCl)CCCl)N1 1607341 KARSYOCVUSPXFA-MUCOVADDSA-N 291.071 0.947 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1F 59386612 OLDDHFPJZWFNKP-SXGUVYOMSA-N 293.298 0.571 50 40 CCGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccccc1 9210128 KCLINUKDTIQROI-AQTBWJFISA-N 298.302 0.656 50 40 CCGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O 588099 UAEKMEVZWPTWHZ-LREOWRDNSA-N 261.193 0.716 50 40 CCGB C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NN)c2N1 2732132 UMVGQLFJWZONGT-INEUFUBQSA-N 263.223 0.794 50 40 CCGB Cc1ccc(C(=O)NNC(=O)CN2CCOCC2)cc1 18708663 VLHYOXCEHTXZQL-UHFFFAOYSA-N 277.324 0.088 50 40 CCGB CC(C)C(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 18276636 AKSUFWJBDHXAEJ-UHFFFAOYSA-N 289.291 0.651 50 40 CCGB N/C(=N\NC(=O)c1ccccc1O)c1ccncc1 46085268 WLFBFXGJYLWGJO-UHFFFAOYSA-N 256.265 0.838 50 40 CCGB CC(C)NC(=S)NNC(=O)COc1ccccc1C#N 16283800 FQEJSPMJPHGJCC-UHFFFAOYSA-N 292.364 0.841 50 40 CCGB O=C(NNC(=O)c1cnns1)c1ccc(Cl)nc1 48698310 VVLQNKOHDULMGG-UHFFFAOYSA-N 283.700 0.661 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C\c1ccc2c(c1)OCO2 31937784 BLPWKDIUWCLZPN-AUWJEWJLSA-O 264.305 0.572 50 40 CCGB CCS(=O)(=O)[C@H](I)[C@@H](C)O 96519292 UHNKJHQGQBWKQN-UHNVWZDZSA-N 278.111 0.563 50 40 CCGB CS(=O)(=O)[C@@H](I)[C@H](O)C1CC1 96519225 ZLNWOBTVUPRXPP-PHDIDXHHSA-N 290.122 0.563 50 40 CCGB C/C(=N/NC(=O)c1c(N)no[n+]1[O-])c1cccs1 872570 BQPLBLZJOJMVNW-WZUFQYTHSA-N 267.270 0.106 50 40 CCGB NC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 16383197 TUMPNKIXMPSJBV-XCVCLJGOSA-N 269.173 0.211 50 40 CCGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccnc1 100151578 QVNUZVAUOGGLCA-UQDQQJHMSA-N 259.269 0.044 50 40 CCGB CN1CCN(CCC(=O)N/N=C/c2ccccc2F)CC1 21487207 ZJDVPJQSXIAYBI-SFQUDFHCSA-N 292.358 0.913 50 40 CCGB O=C(NNC(=S)NC1CC1)c1ccnn1C(F)F 2777736 YMIKBRSKQIYXFQ-UHFFFAOYSA-N 275.284 0.550 50 40 CCGB O=C(CCl)NC(=O)[C@H]1COc2ccccc2O1 3326504 LCDIJIZNMXRADC-SECBINFHSA-N 255.657 0.708 50 40 CCGB CCN1C(C#N)=C(C#N)N[C@H]2C(C(C)=O)=C(C)O[C@@H]21 19875151 XTQMEILLOYOLLS-STQMWFEESA-N 258.281 0.758 50 40 CCGB CC1(CC(=O)N/N=C/c2ccccc2C(=O)O)OCCO1 20246299 UDJDEUJEPANPIB-OQLLNIDSSA-N 292.291 0.988 50 40 CCGB COc1ccc([C@@H](Cl)[C@H](C)N)cc1S(N)(=O)=O 22054694 SWULSHNLZCHBKQ-WKEGUHRASA-N 278.761 0.970 50 40 CCGB in-vitro COC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)O)cc1 409003226 YQOPZIQVFWAUBH-DUJAKZANSA-N 280.280 0.069 50 40 CCGB O=C(O)CN1C(=O)[C@H]2C[C@@H](Cl)[C@@H](Cl)C[C@H]2C1=O 408688405 WQHHDDSOHCABSS-RNGGSSJXSA-N 280.107 0.681 50 40 CCGB C[C@H](Cl)C(=O)NC[C@H]1CC[C@H](N2CCOCC2)NC1 256052409 NDYDLKVEXRCZGD-SRVKXCTJSA-N 289.807 0.388 50 40 CCGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccc(F)cc1 1477016 IPPPVKSKFQLXJB-VGOFMYFVSA-N 262.244 0.947 50 40 CCGB C/C(N)=C(\C#N)C(=O)Cn1nnc(-c2ccccc2C)n1 105828382 KSTWXLQVLGHFIK-BENRWUELSA-N 282.307 0.974 50 40 CCGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccccn1 829225 GRPBYEJKRWPRCC-UHFFFAOYSA-N 295.295 0.844 50 40 CCGB C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](C)O1 12927335 GFAPJJNVJKDJGZ-TXEJJXNPSA-N 291.351 0.557 50 40 CCGB CCCOc1cccc(-c2n[nH]c(CC(=O)NN)n2)c1 4776495 CSMIACDHRXEWLV-UHFFFAOYSA-N 275.312 0.793 50 40 CCGB CCNC(=S)NNC(=O)COc1ccc(OC)cc1 5795321 PUIRVZAGHDSSCW-UHFFFAOYSA-N 283.353 0.589 50 40 CCGB CCCC/C(C)=N/NC(=O)C(=O)NC[C@@H]1CCCO1 59433841 ORTIEHVUYQFFFV-KBVGCWLLSA-N 269.345 0.964 50 40 CCGB Cc1ccc(-c2cc(C(=O)NN)c(C#N)c(=O)[nH]2)cc1 9668015 DYYBMGNPOGQWSC-UHFFFAOYSA-N 268.276 0.826 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59515307 IKQHASVLLSLJSF-RIYZIHGNSA-N 292.295 0.960 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)/C=C\C(=O)O)cc1 28627918 PCEORASPNZXPML-JEHBAHQJSA-N 261.281 0.844 50 40 CCGB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NN)cc1 6326697 ZFHBRBBHAJZTNC-UHFFFAOYSA-N 299.396 0.543 50 40 CCGB CC(C)C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 26795825 KENVIWSADGIMDU-UHFFFAOYSA-N 289.291 0.086 50 40 CCGB COC(=O)NNC(=S)NCCc1ccccc1 6333000 HCIYXTDZOMKXAI-UHFFFAOYSA-N 253.327 0.964 50 40 CCGB Cc1cc(C(=O)NNC(=S)NCc2ccco2)n(C)n1 8685718 GQCODQSIVHQAOT-UHFFFAOYSA-N 293.352 0.631 50 40 CCGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O 8104779 KAQJEAJRYMKOMY-VIZOYTHASA-N 299.714 0.258 50 40 CCGB O=C(NNC(=O)c1ccco1)c1ccc(-n2cnnn2)cc1 3410161 JGLBSXQKZGDRAL-UHFFFAOYSA-N 298.262 0.330 50 40 CCGB O[C@H]1C=C[C@@H](O)[C@@H](Br)[C@H]1Br 4085095 DHMGPRNBMJDWOM-FBXFSONDSA-N 271.936 0.805 50 40 CCGB Cc1ccc(-n2nnc(C(=O)NN)c2-n2cccc2)cc1 67172555 YCGMFCWLMVWXQX-UHFFFAOYSA-N 282.307 0.970 50 40 CCGB NNC(=O)CC(=O)Nc1nc2ccccc2s1 2685699 GGWSHSFOWPZLDY-UHFFFAOYSA-N 250.283 0.615 50 40 CCGB Cc1nn2c(=N)c(C(=O)NN)c[nH]c2c1-c1ccccc1 101638925 MTUGCLXMFPTFSK-UHFFFAOYSA-N 282.307 0.721 50 40 CCGB Cc1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)n(C)n1 2743663 RNWRMBMAIGPSFE-SECBINFHSA-N 297.384 0.016 50 40 CCGB CCC(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1F 97377708 YDPOOCZYGAVDBV-UHFFFAOYSA-N 289.213 0.600 50 40 CCGB COc1nc2ccc(Br)cc2cc1B(O)O 1503865134 ZMKAPPVKZFURTH-UHFFFAOYSA-N 281.902 0.686 50 40 CCGB CN(C)C1=C(Cl)C(=O)[C@H](Cl)C12OCCO2 4029672 ASPUSEKSTRXMIO-ZETCQYMHSA-N 252.097 0.932 50 40 CCGB biogenic CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccccc1 8350121 CQRXQWRBEDFXOB-JTQLQIEISA-N 278.312 0.141 50 40 CCGB O=Cc1c(F)cc(Br)c(B(O)O)c1F 642814596 MGXCTGXVSMOUMS-UHFFFAOYSA-N 264.818 0.220 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 408968832 BXJAHYMAKKSFLO-HVIDBACLSA-N 291.307 0.750 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccsc1 409001330 PDIJXEDMXAPBJV-KPKJPENVSA-N 253.327 0.530 50 40 CCGB CC(C)COC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167642 RJFATVAALMAMAX-SFYZADRCSA-N 285.818 0.938 50 40 CCGB NNC(=O)Cc1n[nH]c(Cc2ccc(Cl)cc2)n1 1775969101 XPVSUOBZZPYVMJ-UHFFFAOYSA-N 265.704 0.581 50 40 CCGB O=C(NNC(=S)NC1CCCCC1)c1ncccn1 1273845 JTYOWEJLUPXELY-UHFFFAOYSA-N 279.369 0.918 50 40 CCGB Cc1ccn(CCC(=O)NNC(=S)NCC(C)C)n1 2794089 JBLXUYWRSYNOQU-UHFFFAOYSA-N 283.401 0.733 50 40 CCGB O=C(NC[C@H](O)CCl)c1ccc([N+](=O)[O-])cc1 2004601 HGNMMEVZKKNYKI-SECBINFHSA-N 258.661 0.924 50 40 CCGB CN(C)NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 2375816 BSQCBMNZERMVKI-QWHCGFSZSA-N 252.314 0.544 50 40 CCGB CCCCC[C@@]1(/C=N/NC(N)=O)NC(=O)N(C)C1=O 1692323 ZJRDNPLJJKAVLL-DELQEKLWSA-N 269.305 0.141 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1ccccc1 5511665 HSVMPQGIVFHFLJ-LFIBNONCSA-N 277.324 0.680 50 40 CCGB COc1ccc(OCC(=O)NNC(=O)CCl)cc1 6566685 NYMOETNHXOFPNL-UHFFFAOYSA-N 272.688 0.460 50 40 CCGB Cn1cc(N(CCCl)CCCl)c(=O)[nH]c1=O 1676757 LLQAJAXTYFKVHQ-UHFFFAOYSA-N 266.128 0.358 50 40 CCGB O=C1CC[C@@H](C(=O)N/N=C/c2ccc3c(c2)OCO3)N1 4724660 OGRJADYTCYFXGI-RGEMTFFCSA-N 275.264 0.144 50 40 CCGB Cn1cccc1CC(=O)NNC(=O)NCCCl 3192671 VGEKNMWOCQGYJS-UHFFFAOYSA-N 258.709 0.137 50 40 CCGB Cc1ccc(CN2CCN(CC(=O)NN)CC2)cc1 36724746 IVDVVPNMJAGYHN-UHFFFAOYSA-N 262.357 0.103 50 40 CCGB Cc1nc(C(=O)NNC(=O)c2cccn2C)cs1 66307806 VOWGYXHCHOOBCT-UHFFFAOYSA-N 264.310 0.865 50 40 CCGB CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 20248851 YKRJLONAFUIFLB-LFIBNONCSA-N 291.351 0.868 50 40 CCGB COCC(=O)N/N=C1\C(=O)Nc2cc(OC)c(OC)cc21 223737392 HJIGZDXVLLDWIT-UHFFFAOYSA-N 293.279 0.123 50 40 CCGB O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccncc1 5778225 LCYXEASHSSARRQ-QWRGUYRKSA-N 289.291 0.510 50 40 CCGB CC[C@@H](C)NC(=S)NNC(=O)CCn1ccc(C)n1 2794093 IQMUKKXTGPHYBW-SECBINFHSA-N 283.401 0.875 50 40 CCGB CSC1=CS(=O)(=O)[C@@H](Br)C1=O 2343999 LDEUCGLWUAAHOL-RXMQYKEDSA-N 257.130 0.909 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 7782546 YHYACAIZXDZKJT-PFMRQGHBSA-N 292.295 0.960 50 40 CCGB COc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1 9155580 YIGCSJTVMZBYBZ-UHFFFAOYSA-N 272.326 0.661 50 40 CCGB N#C/C(=C\c1cccnc1)C(=O)N[C@H]1CCS(=O)(=O)C1 4192265 UBJGECVIEHPBJZ-BCMYLCSRSA-N 291.332 0.292 50 40 CCGB O=C(NNC1=NCCCN1)c1cc(Cl)nc(Cl)c1 163090 BQSMNUYQVATIRR-UHFFFAOYSA-N 288.138 0.972 50 40 CCGB O=C1CN(C(=O)CCl)C2(CCCCC2)C(=O)N1 12504799 YQYBUNIJKFFJKB-UHFFFAOYSA-N 258.705 0.413 50 40 CCGB CCOC(=O)/C(C#N)=C/Nc1[nH]ncc1C(=O)OCC 13396605 GMGGKDVJSPDXNB-SOFGYWHQSA-N 278.268 0.969 50 40 CCGB in-vitro C=C(C)C(=O)NC(=S)NNC(=O)c1ccncc1 35324097 KVUQVTBWPOKKLR-UHFFFAOYSA-N 264.310 0.293 50 40 CCGB C[C@]12CCCC=C1NC(=O)[C@]21C(=O)NC(N)=C1C#N 100257599 NJCVMGHUMAVNLC-QWHCGFSZSA-N 258.281 0.000 50 40 CCGB C[C@H]1C(C#N)(C#N)C(C#N)=C(N)[C@]1(Cl)[N+](=O)[O-] 87318 CWRGCDKIXIGGAV-SSDLBLMSSA-N 251.633 0.618 50 40 CCGB CCc1ccc(OCC(=O)NNC(=S)NC)cc1 7622605 JZBOCKGHXYXXCN-UHFFFAOYSA-N 267.354 0.753 50 40 CCGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(C)=O 5375378 ZKIVKDPJZXDSPL-LLVKDONJSA-N 266.253 0.514 50 40 CCGB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1cccs1 9485479 YPXMOTDEXOQXCM-BQBZGAKWSA-N 279.770 0.882 50 40 CCGB CCc1nnc(NNC(=O)c2ccc(OC)cc2)nc1O 28561587 BOWKSIDUFJTBSD-UHFFFAOYSA-N 289.295 0.905 50 40 CCGB CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1 1846590 IRTZMJWVZQYURE-UHFFFAOYSA-N 263.297 0.501 50 40 CCGB in-vitro CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NN 4690565 GTVHJEXLDSJVRU-JTQLQIEISA-N 253.277 0.570 50 40 CCGB CCCn1c(O)c(C(=O)NN)c(=O)c2ccccc21 5686307 BEHZGHWOWLMWHZ-UHFFFAOYSA-N 261.281 0.721 50 40 CCGB CCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167614 ODJCKAHRQHKTKN-NKWVEPMBSA-N 271.791 0.692 50 40 CCGB Nc1nnnn1CC(=O)N/N=C/C=C/c1ccccc1 2319970 BIKOTJXHBOGACJ-CUJDEGIUSA-N 271.284 0.071 50 40 CCGB C[C@]1(c2ccccc2)C[C@@H]1C(=O)NNC(=O)/C=C\C(=O)O 100715391 XNOVRFRGUGRHII-NKHFUWCESA-N 288.303 0.752 50 40 CCGB O=C1NCCC[C@@H]1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 236640 LNAXUMSKTURYFS-CYANDVJASA-N 290.279 0.571 50 40 CCGB Cc1[nH]c(=O)[nH]c(=O)c1N(CCCl)CCCl 1120 SDTHIDMOBRXVOQ-UHFFFAOYSA-N 266.128 0.656 50 40 CCGB C[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(Cl)c1 96999384 QEXJGUMSDQNLNE-SSDOTTSWSA-N 291.760 0.721 50 40 CCGB OC[C@H](O)COC[C@@H](Br)C(F)(F)F 1083807907 APRUHIYCRHKHRM-CRCLSJGQSA-N 267.041 0.682 50 40 CCGB CCO/N=C(/C)C(=O)NNS(=O)(=O)c1ccc(C)cc1 5048425 IXMYUHDXDHOIDL-UVTDQMKNSA-N 299.352 0.717 50 40 CCGB C=C(C)CNC(=S)NNC(=O)c1ccncc1 13556436 YDLQBNYRPKDNMS-UHFFFAOYSA-N 250.327 0.767 50 40 CCGB Cn1/c(=N\NC(=O)[C@@H]2COCCO2)sc2ccccc21 102170528 CBBMUAXEXFMSJD-FIKMJJSBSA-N 293.348 0.587 50 40 CCGB CC(C)(C[C@H](O)C#N)[N+]([O-])=[N+]([O-])C(C)(C)C[C@H](O)C#N 104317513 ZXDZGTSSYWKDLT-UWVGGRQHSA-N 284.316 0.566 50 40 CCGB CC(C)(C)NC(=S)NNC(=O)c1cccnc1 71779724 DKIMVZVXZGIXIS-UHFFFAOYSA-N 252.343 0.989 50 40 CCGB CC1=CC2(C)[C@H]3C(=O)OC(=O)[C@H]3C1[C@H]1C(=O)OC(=O)[C@@H]12 95749419 VPEBWHJXHKKKRE-NKOUHRTGSA-N 276.244 0.214 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 3045126 OWTDMQUPKPLBOQ-WLRTZDKTSA-N 293.308 0.224 50 40 CCGB Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)no[n+]1[O-] 4117884 KCELKQHINFIVCF-WUXMJOGZSA-N 291.223 0.289 50 40 CCGB Nc1ncnc2c1ncn2C[C@H](O)CBr 5594652 OLHHXNPUJNEDGE-RXMQYKEDSA-N 272.106 0.164 50 40 CCGB O=C(CN1CCOCC1)N/N=C\c1ccc(C(=O)O)cc1 33293292 ABZOHHUQMWCWCD-DHDCSXOGSA-N 291.307 0.167 50 40 CCGB OB(O)c1ccc(C(F)(F)F)c(C(F)(F)F)n1 169810371 YPKDIACQENKOHU-UHFFFAOYSA-N 258.914 0.799 50 40 CCGB N#CC1=C(N)Cc2nc(-c3ccccc3)nn2C1=O 1389118 SCFLIUQAHUFFOG-UHFFFAOYSA-N 251.249 0.878 50 40 CCGB CSCC[C@H]1NC(=O)C(/C(C)=N\NC(N)=O)=C1O 102887615 VJFSXNWFFCYLDO-IDLLUSHMSA-N 272.330 0.094 50 40 CCGB NNC(=O)CCC(=O)N/N=C/c1ccc(F)cc1 27986445 ZCKZHCVZMANQJP-VGOFMYFVSA-N 252.249 0.046 50 40 CCGB C=CCN(C(=O)CCl)[C@]1(C)CCS(=O)(=O)C1 217384452 DPHNGUXYKLCPDH-SNVBAGLBSA-N 265.762 0.817 50 40 CCGB CCNC(=O)NNC(=O)COc1ccc(OC)cc1 46705025 MJWXWZOGIFMERX-UHFFFAOYSA-N 267.285 0.424 50 40 CCGB Cc1n[nH]c2c1[C@H](c1ccc[n+](C)c1)C(C#N)=C(N)O2 5322403 CHZAIXYNQUDDOE-GFCCVEGCSA-N 268.300 0.761 50 40 CCGB O=C1NCCC[C@H]1C(=O)N/N=C/c1cccc(O)c1 553019 VZDZDICOJYALPG-OXFWXOROSA-N 261.281 0.369 50 40 CCGB COC(=O)COc1cccc(/C=N/NC(C)=O)c1 4502666 BBYDOTMCXAMFRR-NTUHNPAUSA-N 250.254 0.708 50 40 CCGB C[C@H](C(=O)NN)S(=O)(=O)c1ccc(Cl)cc1 96029402 YPEAWNPTDBJAAI-ZCFIWIBFSA-N 262.718 0.492 50 40 CCGB NNC(=O)c1ccn(COc2ccccc2F)n1 2535628 FNNQQYAKAVPHSD-UHFFFAOYSA-N 250.233 0.662 50 40 CCGB CN(C)c1nc(N(C)C)nc(N2C[C@H](Cl)OC2=O)n1 26803338 OQZDFMDUFALHJX-ZCFIWIBFSA-N 286.723 0.525 50 40 CCGB COC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 48465472 BGNILLIULXPEQN-UHFFFAOYSA-N 253.214 0.808 50 40 CCGB COc1ccccc1/C=N\NC(=O)Cc1nnc(N)s1 13548948 LJKAITCDKXLANM-AUWJEWJLSA-N 291.336 0.822 50 40 CCGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccn1 4116050 CNHJLEFQZCNICO-VCHYOVAHSA-N 283.291 0.243 50 40 CCGB Cc1ccc(S(=O)(=O)NNC(=O)CC#N)cc1 4670349 OHKASMJLILEYGD-UHFFFAOYSA-N 253.283 0.218 50 40 CCGB Nc1nc(NNC(=O)C2CCCCC2)ncc1[N+](=O)[O-] 71284311 AYCWCBQYMJZRRY-UHFFFAOYSA-N 280.288 0.990 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2ccccc2O)s1 344162 RSANLLMMGPXUKE-AWNIVKPZSA-N 277.309 0.519 50 40 CCGB COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1 3059221 MJLVZURLTPVYFF-XNTDXEJSSA-N 275.308 0.768 50 40 CCGB Cc1cc(C(=O)NNC(=O)c2cc[n+]([O-])cc2)c(C)o1 24154189 YBHMPIBRJWBMMT-UHFFFAOYSA-N 275.264 0.605 50 40 CCGB NC(=O)N/N=C/c1ccc(N2CCOCC2)s1 3275865 KDXRDMWASOCQMV-KPKJPENVSA-N 254.315 0.587 50 40 CCGB COc1ccccc1/C=N\NC(=O)CN1CCOCC1 33328302 QDXAIUARQAVMRC-GDNBJRDFSA-N 277.324 0.478 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 3057908 USPBXXJHPCUYLQ-VIZOYTHASA-N 291.307 0.780 50 40 CCGB COC(=O)/C(=N\NC(N)=O)[C@@H](C#N)c1ccccc1 5722440 WKOMURDLCQWVJI-KOUBLQELSA-N 260.253 0.491 50 40 CCGB O=S1(=O)C[C@H](Cl)[C@@H](I)C1 1736346 NXIVDEIEWWYVEV-IMJSIDKUSA-N 280.514 0.826 50 40 CCGB CCOC(=O)[C@H]1C=C(C#N)O[C@H]2[C@@H]1CCN2C(C)=O 4267674 KXQJYPJOYLRICX-WOPDTQHZSA-N 264.281 0.798 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(O)cc1 7812994 BPCDEAYMCUXAHB-MBBDXHFBSA-N 263.297 0.757 50 40 CCGB CCCCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9575338 UXDZSWGSDWXXLZ-YUMQZZPRSA-N 253.751 0.697 50 40 CCGB CC(C)(O)C(C)(C)OB(O)c1cccc(N=C=O)c1 169980575 PDDUCDALAPBUQZ-UHFFFAOYSA-N 263.102 0.908 50 40 CCGB COC(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 16194946 LQJPBZUIZDSPBE-VZUCSPMQSA-N 269.213 0.999 50 40 CCGB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN 4069883 YHQMTTIZEZVLEN-PWFXGISBSA-N 265.357 0.697 50 40 CCGB C/C(=N\NC(=O)Cc1c(O)n[nH]c1C)c1ccncc1 71718 LLPBCZXKSIIABI-OVCLIPMQSA-N 273.296 0.902 50 40 CCGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1O 409246786 BEUVJKJCXDVUSG-UITAMQMPSA-N 275.264 0.893 50 40 CCGB CCn1c(=O)c2[nH]c(Cl)nc2n(CCCl)c1=O 5385996 MZEWWFFBDAVCPI-UHFFFAOYSA-N 277.111 0.798 50 40 CCGB CC1CCN(C(=O)COc2ccc(C(=O)NN)cc2)CC1 226360713 QJUJCCUEHDTELH-UHFFFAOYSA-N 291.351 0.927 50 40 CCGB Cc1nnc(NNC(=O)Cc2c(C)noc2C)nc1O 23310854 BSAKHQQZSFFVFF-UHFFFAOYSA-N 278.272 0.176 50 40 CCGB NNC(=O)Cc1nnc(-c2cc(F)cc(F)c2)o1 67172676 RZJDNNBGHBBPOQ-UHFFFAOYSA-N 254.196 0.547 50 40 CCGB O=C(Cn1nc2ccccc2n1)N/N=C/c1ccccn1 124357 KRBAHKMAUSCNTQ-CXUHLZMHSA-N 280.291 0.977 50 40 CCGB Cc1ccc2nc(NC(=O)C(=O)NN)sc2c1 2274846 KPQQOOSSJKSOSB-UHFFFAOYSA-N 250.283 0.533 50 40 CCGB CCOC(=O)C(=O)N/N=C1\C(=O)N(CC)c2ccccc21 4696928 AZWMXCQXGSOATP-PTNGSMBKSA-N 289.291 0.437 50 40 CCGB COc1cc(/C=N/NC(=O)CC#N)cc(OC)c1O 567441 RMWMFFDSKLCLAH-VGOFMYFVSA-N 263.253 0.773 50 40 CCGB O=C(CN1CCCCC1)NC(=O)N/N=C\c1ccco1 4921165 XMGRLYBRQYDKPB-ZROIWOOFSA-N 278.312 0.925 50 40 CCGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccccn1 59516099 NWPFREGASFFNNV-VCHYOVAHSA-N 283.291 0.243 50 40 CCGB O=C(Cl)O[C@@H]1CS(=O)(=O)C[C@H]1OC(=O)Cl 100846919 KONMOGIZAMPYTO-QWWZWVQMSA-N 277.081 0.903 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59515327 ZHCXKKFEXKTYAU-RIYZIHGNSA-N 292.295 0.960 50 40 CCGB N#CC(/C=C1/Nc2ccccc2C1=O)=C1/NC[C@H](CO)O1 72434062 KVDHFMUHLGZDGI-JOPRPVBFSA-N 283.287 0.895 50 40 CCGB NNC(=O)COc1c(F)c(F)c(F)c(F)c1F 5908795 DIAULXZUNNOHLK-UHFFFAOYSA-N 256.130 0.751 50 40 CCGB CCOC(=O)NC(=O)/C(C#N)=C\NN1CCCCC1 100219588 OEJRVXYNRJTJSB-KTKRTIGZSA-N 266.301 0.657 50 40 CCGB Cc1cnn(CCC(=O)NNC(=S)NC2CC2)c1 2788330 JVEHNLMJWFMOBF-UHFFFAOYSA-N 267.358 0.239 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccc(F)cc1 19851542 HPTUQJUVSRGKRG-OQLLNIDSSA-N 265.288 0.608 50 40 CCGB O=C(CN1CCCC1)N/N=C/c1ccc2c(c1)OCO2 4724257 URNDSIKTKPYDDG-OVCLIPMQSA-N 275.308 0.961 50 40 CCGB N/C(=N\NC(=O)c1ccccc1N)c1ccccn1 46085266 FIMLLBZNPREFAQ-UHFFFAOYSA-N 255.281 0.714 50 40 CCGB O=C(O)CCCC(=O)NNC(=O)c1ccncc1 4851852 IWUAWWCPKJIDTI-UHFFFAOYSA-N 251.242 0.098 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC 7812028 XXFHIPKPQDZCLR-MHWRWJLKSA-N 275.308 0.838 50 40 CCGB NNC(=O)c1cn(C[C@H](O)c2cccc(Cl)c2)nn1 80316347 XUUMOKYCPFBBIP-JTQLQIEISA-N 281.703 0.269 50 40 CCGB C[C@H]1CN(S(=O)(=O)CBr)C[C@H](C)O1 162814 NNFVNCIFRWPQSK-BQBZGAKWSA-N 272.164 0.778 50 40 CCGB CCCc1cc2c(=O)n([C@H](C)C(=O)NN)cnc2s1 2732041 BAKJUCZMIAYKOQ-SSDOTTSWSA-N 280.353 0.961 50 40 CCGB O=C(/C=C1\SC(=O)NC1=O)NNC(=O)c1ccccc1 101113052 AFCDVNWNWLGOSJ-VURMDHGXSA-N 291.288 0.315 50 40 CCGB COc1ccc(CCCC(=O)N[C@@H](C)C(=O)NN)cc1C 57291777 APURXZXDBYCECS-NSHDSACASA-N 293.367 0.821 50 40 CCGB CCCC[C@@H](CCC(=O)NNC(N)=S)C(=O)O 2335011 HQMPLZPCQKFYAL-ZETCQYMHSA-N 261.347 0.522 50 40 CCGB CC[C@H](C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575423043 NOLYKJVMWITZEX-BIIVOSGPSA-N 269.750 0.916 50 40 CCGB COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 100173479 BXVYBBSXCGDGSK-CUYQCCFGSA-N 275.098 0.730 50 40 CCGB O=C1NN=C[C@@H]1C(=O)N/N=C/c1c(O)ccc2ccccc12 100948924 XAWBYUZDEQQEJZ-DYPRAHPUSA-N 296.286 0.727 50 40 CCGB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NN 2549528 PRYIWEINZMGWSH-UHFFFAOYSA-N 256.615 0.854 50 40 CCGB O=C(CCC1CCCC1)NNC(=O)C(=O)N1CCCC1 60510434 NPICNWOEOJQGHQ-UHFFFAOYSA-N 281.356 0.727 50 40 CCGB CC[C@H]1C/C(=N/NC(N)=O)[C@@H](NNC(N)=O)[C@H](C)C1 4530094 JEZGJNFSDKQEDR-TVADUTDGSA-N 270.337 0.008 50 40 CCGB C[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(Cl)c1 63091620 QEXJGUMSDQNLNE-ZETCQYMHSA-N 291.760 0.721 50 40 CCGB Cc1cc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)[nH]n1 18240555 XLNVOBVWCSQMHL-ATVHPVEESA-N 283.291 0.829 50 40 CCGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)NC(N)=O 409232248 PMPYWMDDYMUIBQ-YWEYNIOJSA-N 260.209 0.697 50 40 CCGB O=C1NCCC[C@@H]1C(=O)N/N=C/c1ccccc1O 551689 GYZOFIVSHGALIY-CYANDVJASA-N 261.281 0.369 50 40 CCGB C[C@@H]1[C@@H](C(=O)O)C[C@H]([N+](=O)[O-])[C@H](Cl)[C@@H]1[N+](=O)[O-] 5328338 RRMFVDXVGDTVKZ-PFCGLBSHSA-N 266.637 0.625 50 40 CCGB COc1ccc(CNC(=O)C(=O)NN=C(C)C)cc1 59515690 RCZPVVYTQYBZKX-UHFFFAOYSA-N 263.297 0.823 50 40 CCGB CC(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 13727281 CYRWXPOPGYQBGU-HTQZYQBOSA-N 253.751 0.553 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1ccccc1F 6316491 YVROBBZHVZFLBK-UHFFFAOYSA-N 262.262 0.765 50 40 CCGB CCCCCCC(=O)NNC(C)=C1C(=O)NC(=O)NC1=O 9357731 JJRSVXHBRKPAIN-UHFFFAOYSA-N 296.327 0.218 50 40 CCGB COc1cccc(/C=N/NC(=O)CN2CCOCC2)c1 58915859 CLDOLUGSJXGXTH-XNTDXEJSSA-N 277.324 0.478 50 40 CCGB C[C@@H](Cl)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 37831178 ZTXXPFATZNDPPL-HTQZYQBOSA-N 268.766 0.154 50 40 CCGB C/C(=N\NC(=O)NN)c1nc2ccccc2nc1C 16265071 DHXZHGCPOZJNRH-CAOOACKPSA-N 258.285 0.835 50 40 CCGB COC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1 59140366 ADXZDVMVQUTBJX-OVCLIPMQSA-N 275.264 0.602 50 40 CCGB O[C@H]1C=C[C@@H](O)[C@@H](Br)[C@@H]1Br 4085098 DHMGPRNBMJDWOM-JGWLITMVSA-N 271.936 0.805 50 40 CCGB COC(=O)c1ccc(/C=N/NC(=O)Cn2cncn2)cc1 3196746 BZKCFZLBKBZTQH-GIDUJCDVSA-N 287.279 0.215 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1OC 5361753 VNRAQWKSEKIYPC-OQLLNIDSSA-N 261.281 0.448 50 40 CCGB COc1cc(C/C=N/NC(N)=O)c(OC)c2c1OCO2 15085630 YBRMQOPGHDIOOH-LNKIKWGQSA-N 281.268 0.629 50 40 CCGB CCc1cccc(C)c1NC(=O)CC(=O)NNC(N)=S 6371716 HDAFWLKNPTUONG-UHFFFAOYSA-N 294.380 0.750 50 40 CCGB O=C(O)/C=C/C(=O)NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 2388620 KXMBSMJOEHWQTE-FWMNBOHYSA-N 252.270 0.211 50 40 CCGB CC(=O)NCCC(=O)NNC(=O)Cc1ccc(Cl)cc1 9500118 YBJCNEAIKVPSSN-UHFFFAOYSA-N 297.742 0.556 50 40 CCGB Cc1nc2n(n1)[C@@H](c1ccncc1)C(C#N)=C(N)N2 7496314 UFFZPPHBGDUFAV-JTQLQIEISA-N 253.269 0.690 50 40 CCGB CCOC(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 12917651 OUCIMQPQMLFUSZ-UHFFFAOYSA-N 279.252 0.408 50 40 CCGB CC1(CC(=O)N/N=C/c2ccc(O)c(O)c2)OCCO1 4545178 SQVXAVILPOGLPW-RIYZIHGNSA-N 280.280 0.701 50 40 CCGB CC(=O)NNC(=O)C[C@H]1Sc2ccccc2NC1=O 23199178 ZIEKLXBEBQQICE-SNVBAGLBSA-N 279.321 0.657 50 40 CCGB CC(=O)OC[C@@]12CC[C@H](O1)[C@H]1C(=O)OC(=O)[C@@]12C 101570844 HWSYCHFKYRCGOS-LDDIKCJXSA-N 254.238 0.187 50 40 CCGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C)[C@H]2C1 20000801 MCYBHRADOGIMPJ-NOZJJQNGSA-N 281.319 0.811 50 40 CCGB CSc1ncccc1C(=O)NNC(=O)C1CC1 15663183 XOUAQJOHPZYSAE-UHFFFAOYSA-N 251.311 0.975 50 40 CCGB Cc1nc(-c2ncn([C@H]3CCCCO3)n2)ccc1B(O)O 642882643 YGZNAJGDTWKEND-GFCCVEGCSA-N 288.116 0.027 50 40 CCGB CC1(CC(=O)N/N=C2\C(=O)Nc3ccccc32)OCCO1 5686104 ANPOWUKRWCLWOZ-UHFFFAOYSA-N 289.291 0.612 50 40 CCGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccco1 5769577 AEMZZVXFXNECQK-IFFSRLJSSA-N 292.291 0.788 50 40 CCGB COc1cc(C(=O)NN(C)C)cc(OC)c1OC 137257 YICSJHGBOMSMEO-UHFFFAOYSA-N 254.286 0.919 50 40 CCGB CC(=O)OCC12C3[C@H]4C5[C@H]6C(=O)OC(=O)[C@@H]6C([C@H]41)[C@H]2[C@H]53 104281548 GNHPPKXQCPPJMX-LLOOSDOISA-N 274.272 0.233 50 40 CCGB CC/C(C)=N\NC(=O)c1nnn(-c2nonc2N)c1C 13713860 NNXLCMRCOCEHOQ-XGICHPGQSA-N 278.276 0.057 50 40 CCGB N/C(=N\NC(=O)c1cccc(N)c1)c1ccncc1 31807354 WJSOIYUVOHSGBU-UHFFFAOYSA-N 255.281 0.714 50 40 CCGB CCn1nc(C)c(/C=N/NC(=O)Cn2cncn2)c1C 547441 GKMFRIZUJZQHMF-LHHJGKSTSA-N 275.316 0.262 50 40 CCGB CCN1C(=O)C[C@@H](NNC(=O)c2cccc(F)c2)C1=O 100141850 VLBORCWONHZMKM-SNVBAGLBSA-N 279.271 0.208 50 40 CCGB CC(C)CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 13727278 CYRWXPOPGYQBGU-YUMQZZPRSA-N 253.751 0.553 50 40 CCGB C[C@H](Cl)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 8155945 ZSQIFFBKILEOFB-QMMMGPOBSA-N 290.772 0.620 50 40 CCGB O=C(NNC(=S)S)[C@H]1COc2ccccc2O1 6864732 VXIMSGNLWTYKMJ-MRVPVSSYSA-N 270.335 0.662 50 40 CCGB N#Cc1ccc(OCC(=O)NNC(=O)c2ccco2)cc1 3310546 CSVXMZNBVUJMBJ-UHFFFAOYSA-N 285.259 0.991 50 40 CCGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(N)=O 33653328 NFSMYGJYPIMMPO-LFYBBSHMSA-N 268.229 0.614 50 40 CCGB O=C(O)c1ccc(B(O)O)cc1OC1CCCCC1 169855852 WNMWAZOKBFAFSQ-UHFFFAOYSA-N 264.086 0.776 50 40 CCGB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1cccs1 9485476 YPXMOTDEXOQXCM-NKWVEPMBSA-N 279.770 0.882 50 40 CCGB C=CCNC(=S)NNC(=O)CCN(CC)CC 4951197 LBBLXCKULOCIJE-UHFFFAOYSA-N 258.391 0.400 50 40 CCGB Nc1nonc1CC(=O)N/N=C/c1ccccc1F 4180462 BVKBGQWLJSZLGO-MKMNVTDBSA-N 263.232 0.484 50 40 CCGB COCCNC(=S)NNC(=O)Cc1ccc(OC)cc1 7062358 QYUSQPYAXKRSTC-UHFFFAOYSA-N 297.380 0.379 50 40 CCGB C/C(=C\C(C)=C(/C#N)C(=O)O)NCNC(=O)CCl 15108626 MFUUFDQMIVLLAY-DRXFMOQXSA-N 271.704 0.717 50 40 CCGB C[C@@H](C(=O)NN)n1c(-c2nonc2N)nc2ccccc21 408974689 GSYRQFXEJICEPK-LURJTMIESA-N 287.283 0.219 50 40 CCGB CCn1ncc(NC(=O)C(Cl)Cl)c1C(N)=O 2780692 XGWOYVJXOKAIHI-UHFFFAOYSA-N 265.100 0.744 50 40 CCGB O=C(O)c1ccc(C(=O)NNC(=O)c2cccnc2)cc1 26807523 BMKZDSDSPHJHSD-UHFFFAOYSA-N 285.259 0.855 50 40 CCGB O=C(Nc1ncccn1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575420943 LEENTZUTCMQJBX-RNFRBKRXSA-N 290.732 0.003 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(O)c1 5749967 RQPJOYTUUVUDSM-GGNJANJASA-N 291.307 0.138 50 40 CCGB COc1cc(/C=N/NC(=O)Cc2cc(O)n[nH]2)ccc1O 1477036 SZSPNPHOHRGZOV-VGOFMYFVSA-N 290.279 0.522 50 40 CCGB NC(=O)N(CCO)/N=C/C=C/c1ccc([N+](=O)[O-])o1 1684391 FXFISFDEMVDBSS-LYTCUFGASA-N 268.229 0.560 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 318673 SICAXBDJGAVODT-UHFFFAOYSA-N 287.297 0.560 50 40 CCGB CCCNC(=S)NNC(=O)[C@@H]1COc2ccccc2O1 6330162 TUMFPRUIJBDEHC-NSHDSACASA-N 295.364 0.732 50 40 CCGB O=C1NCCC[C@H]1C(=O)N/N=C/c1ccccc1O 551691 GYZOFIVSHGALIY-XBLUXWHVSA-N 261.281 0.369 50 40 CCGB O=C(Cn1nnc2ccccc21)N/N=C/c1cccnc1 251986 MFEKIMNDYHCRDW-CXUHLZMHSA-N 280.291 0.977 50 40 CCGB COc1cc(/C=N/NC(=O)c2ccc[n+]([O-])c2)ccc1O 3167431 QLUMBZTVKIDYOU-OVCLIPMQSA-N 287.275 0.798 50 40 CCGB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCl 10104372 YLUZTZPPMHKJFR-UHFFFAOYSA-N 295.730 0.234 50 40 CCGB C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)NN)cc2N1 2731969 DAPJJVXXVSASTN-XINAWCOVSA-N 263.223 0.794 50 40 CCGB COC(=O)[C@@]1(NC(C)=O)C[C@H](C)C(C)=C(C#N)O1 4267391 NPHVMGCIMALCDR-JVXZTZIISA-N 252.270 0.846 50 40 CCGB COc1cc(N2CCOCC2)ccc1/C=N/NC(N)=O 409255795 ZRBFVQWDCFSEKW-OQLLNIDSSA-N 278.312 0.534 50 40 CCGB CC(=NNC(=O)COc1cccc(C)c1)C(=O)O 253618511 MPNGUWHYYODCND-UHFFFAOYSA-N 250.254 0.951 50 40 CCGB COc1ccc(OCC(=O)NN)c(Br)c1 244380 UXOYIJQALMHTQW-UHFFFAOYSA-N 275.102 0.826 50 40 CCGB O=C(CCl)Nn1nnnc1Nc1ccccc1 55388 RJPVJWBLPBBVNT-UHFFFAOYSA-N 252.665 0.726 50 40 CCGB O=C(NNS(=O)(=O)c1ccccc1)c1ccncc1 51401 UKJCMAQTXOTHNO-UHFFFAOYSA-N 277.305 0.705 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1ccc(F)cc1 3061971 FDKJNGGGCGDHCE-CXUHLZMHSA-N 281.287 0.429 50 40 CCGB COC(=O)NNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 23395571 LNWJAOBHZJGSSU-UHFFFAOYSA-N 284.228 0.996 50 40 CCGB O=C(NNC(=O)c1cc[n+]([O-])cc1)c1ccccc1 16497930 MJDJPNFHABOFOY-UHFFFAOYSA-N 257.249 0.395 50 40 CCGB O=C(CBr)OC(=O)CBr 59696347 FUKOTTQGWQVMQB-UHFFFAOYSA-N 259.881 0.846 50 40 CCGB in-vitro Cc1cc(C(=O)NNC(=O)CCC(=O)O)cs1 2743830 YXXPPDMFWCWTRR-UHFFFAOYSA-N 256.283 0.682 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OC)cc1 7784934 AFJJUENJCHEQMH-MHWRWJLKSA-N 293.323 0.298 50 40 CCGB O=C(CCl)NN1C(=O)NC2(CCCCC2)C1=O 3886579 LBKWFLLIJCWXGB-UHFFFAOYSA-N 259.693 0.511 50 40 CCGB CCCN1C(=O)c2ccc(C(=O)NNC(C)=O)cc2C1=O 8906954 WWAHEHWTCYXJGS-UHFFFAOYSA-N 289.291 0.474 50 40 CCGB COc1cc([N+](=O)[O-])cc(/C=N/NC(N)=O)c1O 36622593 GAAALGLFBZFHLP-NYYWCZLTSA-N 254.202 0.311 50 40 CCGB O=C(CN(C(=O)CCl)C1CC1)c1cnccn1 79435629 VMUQOFBBGXAEMJ-UHFFFAOYSA-N 253.689 0.889 50 40 CCGB CC1(C)O[C@@H]2[C@H](O[C@@H]3[C@H](Br)C(=O)O[C@@H]32)O1 5742131 FXPONKIXLZIVOT-YMPULBMMSA-N 279.086 0.552 50 40 CCGB O=[N+]([O-])CCc1c[nH]c2c1=C[C@H](Br)CC=2 239563038 QWGMFSLXVCTWOE-MRVPVSSYSA-N 271.114 0.562 50 40 CCGB COc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1 1847195 CCQAPABTXLDPSR-NTEUORMPSA-O 250.322 0.852 50 40 CCGB CO[C@H]1O[C@H](CNCCCl)[C@H]2OC(C)(C)O[C@@H]12 4720986 YXGBRBCOIUNIDV-KYXWUPHJSA-N 265.737 0.706 50 40 CCGB COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCO1 4894836 UYMHMXPTLMXPGV-LBPRGKRZSA-N 294.307 0.400 50 40 CCGB CC(=O)Nc1cc2c(cc1[N+](=O)[O-])C(=O)OC2=O 137557510 VEJJHTUTLMCTLY-UHFFFAOYSA-N 250.166 0.864 50 40 CCGB CCOC(=O)[C@]12C=C[C@H](CC1)[C@H]1C(=O)OC(=O)[C@@H]12 95681838 YUHKVFTVEJNHJO-WBPNIITGSA-N 250.250 0.832 50 40 CCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(O)cc1O 104867019 DPSLMSYOFKNVJE-YFHOEESVSA-N 276.248 0.580 50 40 CCGB C=CCn1c(=O)c(C(=O)NN)c(O)c2ccccc21 100893602 FNLCYVRFFWXKNK-UHFFFAOYSA-N 259.265 0.497 50 40 CCGB O=C(CCl)N(c1cccnc1)[C@H]1CCS(=O)(=O)C1 40177639 OCERPJHPELBZCK-JTQLQIEISA-N 288.756 0.841 50 40 CCGB CC(C)(CNS(=O)(=O)CCCCl)N1CCOCC1 40809615 POYPONPOPRYIOB-UHFFFAOYSA-N 298.836 0.646 50 40 CCGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(N)=O)ccc21 208805423 AXUHVOBQNZQQLA-UITAMQMPSA-N 256.265 0.269 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccs1 3082858 BOGPBZDVHHTDLK-PFMRQGHBSA-N 281.337 0.493 50 40 CCGB C=CCNC(=S)NNC(=O)c1ccc2c(c1)OCO2 6780852 SXBAYIGUEDERDU-UHFFFAOYSA-N 279.321 0.710 50 40 CCGB COc1ccc2c(=O)ccn(CCC(=O)NN)c2c1 64873652 WJPDBSZSLUICGA-UHFFFAOYSA-N 261.281 0.390 50 40 CCGB Cc1nccc(C(=O)NNC(=O)c2ccc(F)cc2)n1 48608067 KEUKMKCLQOFIFG-UHFFFAOYSA-N 274.255 0.999 50 40 CCGB O=C(O)CN1C(=O)[C@H]2C[C@H](Cl)[C@@H](Cl)C[C@H]2C1=O 408688407 WQHHDDSOHCABSS-VZFHVOOUSA-N 280.107 0.681 50 40 CCGB Cc1cc(B(O)O)ccc1-c1ncn([C@@H]2CCCCO2)n1 642882622 UWGUDILYLLMDSV-ZDUSSCGKSA-N 287.128 0.632 50 40 CCGB C[C@@H](O)CN(/N=C/c1ccc([N+](=O)[O-])o1)C(N)=O 1693550 GBNRGPOXYKKLGO-YDACCABYSA-N 256.218 0.283 50 40 CCGB O=C(NCCCl)NCc1nnnn1-c1cccc(F)c1 9615935 ZFZMEOQXAIOESQ-UHFFFAOYSA-N 298.709 0.839 50 40 CCGB Cc1cc(Cl)ccc1N1C[C@H](C(=O)NN)CC1=O 57351186 MALTZHQXSILCLL-MRVPVSSYSA-N 267.716 0.991 50 40 CCGB C[C@H](Cl)C(=O)N(C)CC(=O)NCC(F)(F)F 37831823 FSRVJCAQJUEXQY-YFKPBYRVSA-N 260.643 0.751 50 40 CCGB CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C(/N)OCC 100911739 OSYCMUAGYRWVHX-GLYMIEGHSA-N 282.296 0.769 50 40 CCGB COc1cccc(OCC(=O)NNC(=O)C(F)(F)F)c1 4672743 WUIOYBUKVWRWQH-UHFFFAOYSA-N 292.213 0.784 50 40 CCGB N#CSCCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O 5217612 VMWQQPARVGVVGY-BZNPZCIMSA-N 252.295 0.363 50 40 CCGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@@H]1c1cccnc1 16429930 FARDKLNVHJFBAZ-SNVBAGLBSA-N 255.233 0.700 50 40 CCGB C/C(=N/NC(=O)c1nonc1N)c1ccc2c(c1)OCO2 4778750 CTPOYFFBUVWYKD-NSIKDUERSA-N 289.251 0.535 50 40 CCGB CCOc1ccc(NC(=S)NNC(N)=O)cc1 9189523 LENNNEPCLJMREH-UHFFFAOYSA-N 254.315 0.955 50 40 CCGB COc1cccc(/C=N/NC(=O)C(=O)N2CCOCC2)c1 59515392 FXMTZRRPMLFYLU-XNTDXEJSSA-N 291.307 0.004 50 40 CCGB CC(C)[C@@H](C(=O)NN)N1CCN(c2ccc(F)cc2)CC1 22539170 BFSCCWYUKUESNZ-AWEZNQCLSA-N 294.374 0.962 50 40 CCGB COc1ccnc(NNC(=O)c2cnc(C)cn2)n1 40510800 AMGFGBVJAVTOBZ-UHFFFAOYSA-N 260.257 0.341 50 40 CCGB NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 293868 NIUOEZLEDGZRMW-UHFFFAOYSA-N 283.331 0.925 50 40 CCGB O=C(NNC(=O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 49354011 YXBXAVKMWUWMKG-VIFPVBQESA-N 279.252 0.392 50 40 CCGB CCNC(=O)NNC(=O)c1ccc(C)cc1OC 408565863 BRAYMHFOENMKHA-UHFFFAOYSA-N 251.286 0.968 50 40 CCGB NNC(=O)c1cc(Br)c2nccn2c1 95215799 VSZJTJAJZREQSZ-UHFFFAOYSA-N 255.075 0.700 50 40 CCGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)O)[C@@H]13)[C@H]2Br 103014727 YAUZWMLHLWHCLG-VXGWJHEQSA-N 261.071 0.642 50 40 CCGB N#CCC(=O)N/N=C/c1cn(O)c2ccccc2[n+]1=O 377845405 KROIASAZEWXANU-VGOFMYFVSA-O 272.244 0.157 50 40 CCGB in-vitro CC(=O)OC[C@]12CC[C@@H](O1)[C@H]1C(=O)OC(=O)[C@@]12C 101570838 HWSYCHFKYRCGOS-FCMYFTRRSA-N 254.238 0.187 50 40 CCGB Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CCCO1 25401632 BNMKKXSECDHMCZ-JTQLQIEISA-N 288.307 0.583 50 40 CCGB O=C(NNS(=O)(=O)c1cccs1)c1ccco1 7519639 DXPQINCBEDSEMB-UHFFFAOYSA-N 272.307 0.964 50 40 CCGB CS(=O)(=O)[C@H](I)[C@H](O)C1CC1 96519224 ZLNWOBTVUPRXPP-RITPCOANSA-N 290.122 0.563 50 40 CCGB O=C(O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 102539370 UIPJPKGVZBWUTQ-WEJVIZDESA-N 292.118 0.537 50 40 CCGB Cc1occc1C(=O)NNC(=O)c1ccc[n+]([O-])c1 21866891 GYMBGYKIQYEVDE-UHFFFAOYSA-N 261.237 0.296 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C\c1ccc([N+](=O)[O-])o1 8602867 SOJGJHQPLSMYAU-WDZFZDKYSA-O 255.254 0.344 50 40 CCGB COc1ccc(/C(C)=N/NC(=O)CN2CCOCC2)cc1 20248117 PTECFHXFMQPKAN-FOWTUZBSSA-N 291.351 0.868 50 40 CCGB O=c1n(CCBr)nnn1-c1ccccc1 1439927 LJZZQSNFEVNLMN-UHFFFAOYSA-N 269.102 0.824 50 40 CCGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)NN 1461835 MQZUCSVCQNECPR-LLVKDONJSA-N 279.296 0.160 50 40 CCGB C[C@H](Cl)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 37831177 ZTXXPFATZNDPPL-JGVFFNPUSA-N 268.766 0.154 50 40 CCGB O=C(N/N=C/c1ccccc1C(=O)O)c1cnccn1 351704 OBGJAKLARGWAPA-FRKPEAEDSA-N 270.248 0.939 50 40 CCGB CCc1nnc(NNC(=O)c2ccccc2)nc1O 28561593 YSSSUFOEJISRMP-UHFFFAOYSA-N 259.269 0.897 50 40 CCGB O=C(CNc1nnc(O)nc1O)N/N=C/[C@@H]1CC=CCC1 13638493 LVZDPURUXNGTNW-RWNYKPJXSA-N 292.299 0.153 50 40 CCGB O=C(N/N=C\c1ccc(O)cc1O)c1cnccn1 19835417 IPNIAMPORNCFLJ-UUASQNMZSA-N 258.237 0.652 50 40 CCGB N#CC1=C(N)n2ncnc2N[C@H]1c1ccc(C(=O)O)cc1 18199233 ZXDNXHFVRFYHGU-JTQLQIEISA-N 282.263 0.794 50 40 CCGB CCNC(=S)NNC(=O)[C@@H](C)Oc1ccccc1 6401314 AOZKRTVFOOTPHW-SECBINFHSA-N 267.354 0.969 50 40 CCGB O=C(NNC1=NCCCCC1)[C@H]1CCS(=O)(=O)C1 575422414 BRVCBJXCHZZXTG-VIFPVBQESA-N 273.358 0.014 50 40 CCGB O=C(N/N=C/c1ccncc1)C(=O)NC1CCCC1 5605214 VHTRZZWRIOTJNV-OQLLNIDSSA-N 260.297 0.591 50 40 CCGB N#CC1=C(O)NC(NN)=C(C#N)[C@@H]1c1ccncc1 552204 KFNZGPDXBHEDLM-JTQLQIEISA-N 254.253 0.260 50 40 CCGB NNC(=O)CC12C[C@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 100772176 BODJGEZOICZQSL-ITSCGTHASA-N 276.344 0.349 50 40 CCGB O=C(NNC(=S)NC(=O)c1ccco1)c1cnccn1 4689873 QRNKTPNZVDGZRU-UHFFFAOYSA-N 291.292 0.019 50 40 CCGB COc1cc(/C=N/NC(=O)CN2CCCC2)ccc1O 27873 OMDBPVJSSUWTQC-OQLLNIDSSA-N 277.324 0.947 50 40 CCGB CC(=O)N1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@@H]2C#N 377488 LHRYDZPFQRBAFV-VIFPVBQESA-N 290.348 0.550 50 40 CCGB CCNC(=S)NNC(=O)Cn1nc(C)cc1C 8828941 OIZIGWFSGCQCQK-UHFFFAOYSA-N 255.347 0.015 50 40 CCGB C[C@](CC(=O)NNC(=O)C1CC1)(C(=O)O)c1ccccc1 16479306 HLUXKORYRPXFAA-OAHLLOKOSA-N 290.319 0.976 50 40 CCGB CCOC(=O)[C@]12C=C[C@@H](CC1)[C@@H]1C(=O)OC(=O)[C@@H]12 169797496 YUHKVFTVEJNHJO-NMSKTSORSA-N 250.250 0.832 50 40 CCGB CC1=CC(=O)[C@H](/C(C)=N/NC(=O)c2ccncc2)C(=O)O1 102500192 LNVBSFRRBYMQJJ-RGZVIEDOSA-N 287.275 0.833 50 40 CCGB Nc1nnn(CC(=O)N/N=C/c2cccc(Cl)c2)n1 547691 IHJLSAGNNFGNHK-WLRTZDKTSA-N 279.691 0.059 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(F)cc1 59386618 DULRECCEWJXLMH-OPFCKLNOSA-N 293.298 0.571 50 40 CCGB CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccc(C)s1 62524814 SVDXWLQAGAJOCR-SNVBAGLBSA-N 295.364 0.828 50 40 CCGB CC(C)NC(=S)NNC(=O)c1ccc2c(c1)OCO2 6827889 UINLJOWURLZCNP-UHFFFAOYSA-N 281.337 0.933 50 40 CCGB CN(C)c1ccc(/C=N\NC(=O)Nc2nonc2N)cc1 33306247 BTJDHQGIQZTDQI-AUWJEWJLSA-N 289.299 0.873 50 40 CCGB NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 95875831 ZKPPEFFSWPQKGN-UHFFFAOYSA-N 282.775 0.448 50 40 CCGB O=C(Cc1nnn[nH]1)N/N=C/C=C/c1ccccc1 6529037 ZCZHALDCVSGSNY-ZAUJTXRMSA-N 256.269 0.558 50 40 CCGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)C(=O)NC(C)(C)C 100544254 IUBRMEMHSOQQEY-RQZCQDPDSA-N 298.387 0.698 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1ccccc1F 59434407 YNBYDWWRDMJRFA-CXUHLZMHSA-N 281.287 0.429 50 40 CCGB CNC(=O)C(=O)N/N=C/c1ccc(SC)cc1 9232171 QPPNZWWNVOPTGZ-NTUHNPAUSA-N 251.311 0.605 50 40 CCGB NC(=O)[C@H]1C[C@H](I)[C@H]2C[C@H]1C(=O)O2 104114813 ZKESUOLCYWKBII-BGPJRJDNSA-N 295.076 0.227 50 40 CCGB COc1ccc(-c2noc(CCC(=O)NN)n2)cc1OC 71328708 GEOKMSGYNMBLNM-UHFFFAOYSA-N 292.295 0.676 50 40 CCGB CN(C(=O)CBr)[C@@H]1CC[S@](=N)(=O)C1 725352863 ZYFMNPVKTQDKIC-UANNBLPKSA-N 269.164 0.659 50 40 CCGB NNC(=O)CCNC(=O)c1ccccc1Br 2676391 XCGSGWMQTKLJPA-UHFFFAOYSA-N 286.129 0.559 50 40 CCGB COCCNC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 7062579 VDMSADLSRKJLDF-UHFFFAOYSA-N 298.324 0.350 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444289 VWTNRSIZQDBRRJ-OVCLIPMQSA-N 275.264 0.137 50 40 CCGB C/C(=N\NC(=O)[C@H]1C=NNC1=O)c1cccs1 100948954 RYCYPGRBNCJVDB-NYYVKIQXSA-N 250.283 0.320 50 40 CCGB CCCCCCCCNC(=S)NNC(=O)C(N)=O 100980435 JTFDQGRDWLJURZ-UHFFFAOYSA-N 274.390 0.328 50 40 CCGB O=C(CNc1nnc(O)nc1O)N/N=C/[C@H]1CC=CCC1 13638490 LVZDPURUXNGTNW-RQTLQMQPSA-N 292.299 0.153 50 40 CCGB CCN1/C(=N/C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 13689901 UJZJLABPBMJZKV-BYDYZHPSSA-N 296.801 0.342 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)[C@H]2CCCNC2=O)cc1 225484 UCMKQIUGKFIYBM-VZWMTCDZSA-N 288.351 0.729 50 40 CCGB NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 15424153 PKEHPEPIRMNRHB-UHFFFAOYSA-N 289.382 0.526 50 40 CCGB Cn1c(=O)c2[nH]c(NCCCCl)nc2n(C)c1=O 2559252 GVCDRMQODRFKKG-UHFFFAOYSA-N 271.708 0.001 50 40 CCGB CC[C@H](C)NN(CCN(CC)CC)C(=O)C1=NNC(=O)C1 101510494 PGDYCGQEUOSNLD-NSHDSACASA-N 297.403 0.336 50 40 CCGB C[C@H](Br)C(=O)N1CCc2c(nnn2C)C1 95097448 VBACOGZUZOFTTM-LURJTMIESA-N 273.134 0.483 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)cc1 550889 XPTRTFCRHPZRTA-OQLLNIDSSA-N 287.323 0.874 50 40 CCGB CC(C)CN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 3866174 VSEHIJZDKSGPJT-VIFPVBQESA-N 267.778 0.897 50 40 CCGB O=C(Cc1ccccc1)NNC(=O)c1cccnc1O 12941042 CYGBWEKKDJUWMO-UHFFFAOYSA-N 271.276 0.791 50 40 CCGB COc1ccc(/C=C(\C#N)C(=O)NCC(=O)O)cc1 4110142 GLGRLPPGYYUFRG-UXBLZVDNSA-N 260.249 0.803 50 40 CCGB Nc1nonc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1O 38182262 TVBXKPXBQILNTN-UUILKARUSA-N 292.211 0.030 50 40 CCGB NS(=O)(=O)c1sccc1C(=O)CBr 85221567 WUVKKDOGXCDAAM-UHFFFAOYSA-N 284.156 0.973 50 40 CCGB Cc1cc(C(=O)N/N=C/c2c(C)nn(C)c2F)n(C)n1 252480074 BUDZTWLJNHQGDY-MKMNVTDBSA-N 278.291 0.673 50 40 CCGB CC(C)NC(=O)NC(=O)CI 1666996 BGXCISHKTSVLSB-UHFFFAOYSA-N 270.070 0.656 50 40 CCGB CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@H]1C(=O)Nc1ccccc1 4084711 AVIACSDETLXKIL-OUAUKWLOSA-N 291.307 0.040 50 40 CCGB CCN(CC)C(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 4703132 SSDHTBHGXLWTRK-NTEUORMPSA-N 292.295 0.913 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1O 5713867 QSNPIUXZXCDWOC-OVCLIPMQSA-N 279.296 0.377 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5380941 RKCGEBUKOQQRBL-NTUHNPAUSA-N 278.268 0.570 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1 6295745 UHQJRCZJVFFZIV-VIZOYTHASA-N 281.699 0.798 50 40 CCGB CC[C@H](C(=O)NN)N1CCN(c2ccc(F)cc2)CC1 22539054 ITFIPOXPGPCRFP-CYBMUJFWSA-N 280.347 0.716 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2C[C@@H]2C)n1 47466081 KRBYGOCYXIQLDN-OIBJUYFYSA-N 250.302 0.303 50 40 CCGB CCNC(=S)NNC(=O)c1nn(C)cc1Cl 2112120 RIARQHMYOKPWBW-UHFFFAOYSA-N 261.738 0.202 50 40 CCGB O=C(CCCl)N1CCN(c2ncccn2)CC1 6342916 LXVVGNKCZACLDX-UHFFFAOYSA-N 254.721 0.754 50 40 CCGB in-vitro Cc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)o1 408734021 UYTLSKYAEQCECP-XBLUXWHVSA-N 279.296 0.333 50 40 CCGB NC(=O)NN[C@@H](SCC(=O)O)c1ccccc1 16758396 HWJPEGSUTRKHOT-VIFPVBQESA-N 255.299 0.676 50 40 CCGB Cc1cc(C)[n+](C[C@H](O)CCl)n1C[C@H](O)CCl 4950559 NXZZCMWDCHHBOQ-GHMZBOCLSA-N 282.191 0.592 50 40 CCGB CC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 6262351 BYHVEFXADZSAMF-UHFFFAOYSA-N 271.729 0.995 50 40 CCGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C/C(=O)O)cc1 6845658 NGXACRLIEDSDCJ-QROSGCPLSA-N 292.291 0.551 50 40 CCGB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)cc1 3313186 PNRINHNJRRGYLP-LLVKDONJSA-N 297.380 0.386 50 40 CCGB CCOC(=O)/C(N)=N/NC(=O)Cc1ccc(F)cc1 98211205 MVDMOKLRXBQDDV-UHFFFAOYSA-N 267.260 0.320 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1F 59386610 OLDDHFPJZWFNKP-CPWFCVNUSA-N 293.298 0.571 50 40 CCGB NC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 3247131 PAFJHYURNHPEJN-QDEBKDIKSA-N 252.186 0.326 50 40 CCGB O=C(Cn1nnc2ccccc21)NNC(=O)c1ccccc1 411844 VWJQLTCQERIYRR-UHFFFAOYSA-N 295.302 0.893 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccc(N2CCCCC2)s1 6675326 OUBCYOVREUTYNN-RIYZIHGNSA-N 280.353 0.674 50 40 CCGB CCCCCC(=O)NNC(=O)c1cc(O)nc(O)n1 408718163 NLGWDPKVJOZGTL-UHFFFAOYSA-N 268.273 0.229 50 40 CCGB O=C1NC(=O)C2(C[C@@H]3CCC[C@H](C2)N3CCCl)N1 1585996 DOQJTPJTPJIQJJ-USUYBEQLSA-N 271.748 0.820 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccco1 3061026 QXLPMYPTXPRRKG-PFMRQGHBSA-N 265.269 0.025 50 40 CCGB CCc1nnc(NNC(=O)c2cccs2)nc1O 28561611 LUSZDSWOCUXOKN-UHFFFAOYSA-N 265.298 0.958 50 40 CCGB O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)NC1CC1 2392566 OATFHXQEZYZFFX-MKMNVTDBSA-N 281.699 0.774 50 40 CCGB CCOC(=O)[C@@]12C=C[C@@H](CC1)[C@H]1C(=O)OC(=O)[C@@H]12 95681839 YUHKVFTVEJNHJO-QARKVSRYSA-N 250.250 0.832 50 40 CCGB COc1cccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)c1O 5880519 ARANPJXHNRDAJF-VGOFMYFVSA-N 290.279 0.522 50 40 CCGB CC/C(=N\NC(N)=O)[C@@H]1CCCC/C1=N\NC(N)=O 5482086 ANXDPRVDJZXAOC-GSOPOXNVSA-N 268.321 0.635 50 40 CCGB Cc1nnsc1C(=O)NNS(=O)(=O)c1ccccc1 1406760 BEFSAELAHXDBAT-UHFFFAOYSA-N 298.349 0.470 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 3089017 DHBSUGNCDCQDTL-LZYBPNLTSA-N 291.307 0.607 50 40 CCGB CN(C)NC(=O)CN(CC(=O)O)c1ccccc1 34926517 JZGJDNLYRUUYMP-UHFFFAOYSA-N 251.286 0.170 50 40 CCGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)N1CCCC1 59444340 MSMSTXBEAALVEC-OQLLNIDSSA-N 289.291 0.457 50 40 CCGB C=CCNC(=S)NNC(=O)COc1ccc(F)cc1 16310847 WGSOIIXRRWTPFL-UHFFFAOYSA-N 283.328 0.886 50 40 CCGB O=NN(CCCl)C(=O)NC1[C@@H](O)CCC[C@@H]1O 5134419 BQIFCAGMUAMYDV-BQBZGAKWSA-N 265.697 0.193 50 40 CCGB COc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCO2)cc1 260237 KLYRVBVVYOEWKQ-LBPRGKRZSA-N 294.307 0.400 50 40 CCGB Cn1c(=O)[nH]cc(N(CCCl)CCCl)c1=O 1676756 QVQYGGLXCDUVOK-UHFFFAOYSA-N 266.128 0.358 50 40 CCGB CCc1ccc2c(c1)c(=O)ccn2CCC(=O)NN 64873650 YMIGNPPRSCZKST-UHFFFAOYSA-N 259.309 0.944 50 40 CCGB N#C/C(=C\NN)S(=O)(=O)c1ccc(Cl)cc1 5253594 WHBWKRCZOFCUPG-RMKNXTFCSA-N 257.702 0.942 50 40 CCGB COC(=O)c1ccc(/C=N/NC(=O)c2nonc2N)cc1 408720400 NFLSJCIVYMUUKQ-MKMNVTDBSA-N 289.251 0.202 50 40 CCGB COc1cccc(C(=O)NNC(=O)/C=C/C(=O)O)c1 2759575 YGTDEQAONLJCCX-AATRIKPKSA-N 264.237 0.097 50 40 CCGB N#CCC(=O)NNC(=S)NCCc1ccccc1 2809073 WXRPDLKPXPUQTE-UHFFFAOYSA-N 262.338 0.638 50 40 CCGB COC(=O)NNC(=O)NCc1ccc(OC)cc1 24990242 QNVSRBZGDGVTDA-UHFFFAOYSA-N 253.258 0.765 50 40 CCGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1O)C(=O)NC(N)=O 409242235 VYSVVIKBVWDKCF-CLTKARDFSA-N 276.208 0.402 50 40 CCGB CC(C)(CCl)C(=O)ON1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 95682080 RLUGIZGNCMVOBE-KZVJFYERSA-N 299.710 0.648 50 40 CCGB O=C(CSc1nncs1)NNC(=O)c1ccco1 7194605 CZIMELVHACWTJA-UHFFFAOYSA-N 284.322 0.684 50 40 CCGB Cc1cc(C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)[nH]n1 6295232 XZIUNGXLMXHJHH-VZUCSPMQSA-N 298.280 0.322 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 31937757 IRMKOPQOLAETKT-JYRVWZFOSA-O 265.293 0.751 50 40 CCGB CC[C@H]1C/C(=N/NC(N)=O)[C@@H](NNC(N)=O)[C@@H](C)C1 4530092 JEZGJNFSDKQEDR-QQQQBBHZSA-N 270.337 0.008 50 40 CCGB CNC(=O)N(CCO)/N=C\c1ccc([N+](=O)[O-])o1 4722189 GWKWFWHQOVFKPI-WDZFZDKYSA-N 256.218 0.155 50 40 CCGB C[C@@H](C(=O)NN)S(=O)(=O)c1ccc(Cl)cc1 96029401 YPEAWNPTDBJAAI-LURJTMIESA-N 262.718 0.492 50 40 CCGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)C1CC1 96519147 MYXBOZXBMCETLV-NKWVEPMBSA-N 257.149 0.913 50 40 CCGB NNC(=O)c1csc(NC(=O)c2ccccc2)n1 1415048 RYHZYCPYDZZMLB-UHFFFAOYSA-N 262.294 0.999 50 40 CCGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CC2)c1 26967524 VDKSAHHQFVGIGT-UHFFFAOYSA-N 282.321 0.261 50 40 CCGB Cc1ccccc1C(=O)N1CCC(C(=O)NN)CC1 4550819 QPMFKUQCLXIQFX-UHFFFAOYSA-N 261.325 0.837 50 40 CCGB O=C(O)/C=C/C(=O)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 101924653 KXMBSMJOEHWQTE-LVMSPVEESA-N 252.270 0.211 50 40 CCGB NC(=S)NNC(=O)Cc1ccc(Br)cc1 15423297 XIQWEMCLCPKUPR-UHFFFAOYSA-N 288.170 0.856 50 40 CCGB CCOC(=O)NNC(=O)c1cc2c(C)nn(C)c2nc1C 29760537 MJCVHZFVQLVFLV-UHFFFAOYSA-N 291.311 0.976 50 40 CCGB NC(=O)N1CCC(=NNC(=O)NC2CCCC2)CC1 65672296 BBAVLYIFYULTER-UHFFFAOYSA-N 267.333 0.759 50 40 CCGB NC(=O)N(CC(=O)O)/N=C/c1ccc2c(c1)OCO2 408735470 QLQDENFTOOKARE-YIXHJXPBSA-N 265.225 0.215 50 40 CCGB CC(C)(C)NC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167815 RHVJMCXQYHJVOB-RQJHMYQMSA-N 284.834 0.653 50 40 CCGB COc1ccc(C(=O)NNC(=O)C[C@H](C)CC(=O)O)cc1 26807928 JNDPNAQAKPTOGY-VIFPVBQESA-N 294.307 0.957 50 40 CCGB Cc1cc(C)cc(NC(=S)NNC(=O)C(N)=O)c1 3344236 PLZYPODAUMAAQA-UHFFFAOYSA-N 266.326 0.106 50 40 CCGB CCOC(=O)/C(C#N)=C/C1=C/C(=C/N(C)C)C(=O)O1 32077954 OAZYIZDMJVJOFR-SXIMUEDZSA-N 262.265 0.886 50 40 CCGB O=C(O)COCCOCCOCCOCCCl 220100208 XBWVBVYMGRKKOO-UHFFFAOYSA-N 270.709 0.376 50 40 CCGB Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2ccccc2O)n1 3154525 FEZPQAYOWQSJFH-AWNIVKPZSA-N 289.251 0.798 50 40 CCGB Nc1nonc1C(=O)N/N=C\c1c[nH]c2ccccc12 105662651 YKYSCNVVDWVSMS-UUASQNMZSA-N 270.252 0.897 50 40 CCGB O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 12927443 FMHBXFCWYHDFCR-UHFFFAOYSA-N 274.236 0.998 50 40 CCGB CCCn1c(SCC(=O)/C(C#N)=C(/C)N)n[nH]c1=O 104845728 MNTXBHMZCWIKLY-FPLPWBNLSA-N 281.341 0.399 50 40 CCGB COC(=O)C1=C[C@@H]2[C@@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31 100818399 RLOCDRQSSNUEDF-WGGONUAMSA-N 260.245 0.463 50 40 CCGB Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)OC2=O 100080499 KQVXGBGHGOIFMG-UHFFFAOYSA-N 293.256 0.979 50 40 CCGB CC(=O)NNC(=Nc1cc(C)ccc1C)NNC(C)=O 3306987 IHFMYLIJKDVTCB-UHFFFAOYSA-N 277.328 0.572 50 40 CCGB CCO[C@H]1NC(C#N)=C(C#N)N(CC)[C@@H]1OCC 19626594 MLGFVMNLADXPSR-VXGBXAGGSA-N 250.302 0.895 50 40 CCGB Cc1ncc(CO)c(C=NNC(=O)c2ccncc2)c1O 254480653 BQYIXOPJPLGCRZ-UHFFFAOYSA-N 286.291 0.747 50 40 CCGB O=C(O)CC/C(=N\NC(=O)c1cccnc1)C(=O)O 34857794 YVEUSNQTBBDCQG-MDWZMJQESA-N 265.225 0.117 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C\c1ccc(O)cc1 58885156 LLEUNUGIALDETL-ZSOIEALJSA-N 263.297 0.757 50 40 CCGB Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CCCO1 25401637 BNMKKXSECDHMCZ-SNVBAGLBSA-N 288.307 0.583 50 40 CCGB O=C(Cc1cccc(F)c1)NNC(=O)c1cnccn1 11528174 AGZPMKDSQNJUEX-UHFFFAOYSA-N 274.255 0.619 50 40 CCGB N#C/C(N)=C(\C#N)NC(=O)Nc1ccc2c(c1)OCO2 618255044 BMCGDVNOKYRKDV-HJWRWDBZSA-N 271.236 0.754 50 40 CCGB COc1cc2c(cc1OC)[C@H](C(=O)NN)C(C)=NN=C2C 492858 HLPWDEYOCXABBO-CYBMUJFWSA-N 290.323 0.976 50 40 CCGB NC(=O)C(=O)NNC(=O)Nc1cccc2ccccc12 6886088 XCPDWJYLVWMJHO-UHFFFAOYSA-N 272.264 0.478 50 40 CCGB CN(C)c1ncccc1C(=O)NNC(=O)c1ccco1 44979721 BIEWFNSQSIZLRI-UHFFFAOYSA-N 274.280 0.815 50 40 CCGB CNC(=S)NNC(=O)[C@H](C)Oc1ccc(F)cc1 6850532 YOORVRSJNQYLDP-ZETCQYMHSA-N 271.317 0.718 50 40 CCGB CC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2)CC1 17170698 FIEWYADQBNTGET-UHFFFAOYSA-N 289.335 0.706 50 40 CCGB CCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 281979 ZSBYFQKXFHOGNH-UHFFFAOYSA-N 252.270 0.875 50 40 CCGB COc1ccc(OCn2ccc(C(=O)NN)n2)cc1 2526618 LRNNYGGFZGCITO-UHFFFAOYSA-N 262.269 0.532 50 40 CCGB NNC(=O)c1ccc(CN2CCN3CCC[C@H]3C2)cc1 22029076 CACHMYNZAJAHIM-AWEZNQCLSA-N 274.368 0.570 50 40 CCGB NC(=O)[C@@H]1CN(C(=O)CCl)c2ccccc2O1 8939853 ARXMOGIPJRHYNG-VIFPVBQESA-N 254.673 0.505 50 40 CCGB COCCNC(=S)NNC(=O)c1ccoc1C 6825207 VLHDFYWSVIZZAL-UHFFFAOYSA-N 257.315 0.343 50 40 CCGB O=C(CCl)N(c1cccnc1)[C@@H]1CCS(=O)(=O)C1 40177638 OCERPJHPELBZCK-SNVBAGLBSA-N 288.756 0.841 50 40 CCGB N#CC1=C(N)NC(=O)[C@H](C(N)=O)[C@H]1c1ccccc1Cl 1578351 GJVSWTDPBQXGAN-UWVGGRQHSA-N 290.710 0.349 50 40 CCGB C[C@H](Cl)C(=O)NNC(=O)c1ccc(C#N)cc1 97673616 PCNONRYXGASOBU-ZETCQYMHSA-N 251.673 0.947 50 40 CCGB O=C(NNC(=O)c1ccccn1)c1ccc2c(c1)OCO2 8272665 VPFXTOXALYPPSX-UHFFFAOYSA-N 285.259 0.885 50 40 CCGB CCCCCNS(=O)(=O)c1cccc(C(=O)NN)c1 225502025 BGTZYIKKOKMRCD-UHFFFAOYSA-N 285.369 0.759 50 40 CCGB COC(=O)COC(=O)COc1ccc(N=C=O)cc1 114686615 SRGMIEMLVHGAEO-UHFFFAOYSA-N 265.221 0.749 50 40 CCGB Cc1cc(C(=O)NNC(=O)c2ccc[n+]([O-])c2)c(C)o1 21866875 ULUGJSWUAPFAOP-UHFFFAOYSA-N 275.264 0.605 50 40 CCGB Nc1nnc(CC(=O)N/N=C\c2cccs2)s1 33314511 LNTKCQYBMOQOES-WZUFQYTHSA-N 267.339 0.875 50 40 CCGB N/C(=N\NC(=O)c1ccc(N)cc1)c1cccnc1 32598248 FVZZQLAMKBAGCF-UHFFFAOYSA-N 255.281 0.714 50 40 CCGB OCCOCCOCCOCCOCCCl 5368955 MEZHWIUWDFAXMR-UHFFFAOYSA-N 256.726 0.284 50 40 CCGB Cc1nnc(NNC(=O)c2ccccc2Cl)[nH]c1=O 7424203 QQNSLQHTFFFIAV-UHFFFAOYSA-N 279.687 0.884 50 40 CCGB O=C(NCc1ccncc1)C(=O)N/N=C/c1cccs1 59433909 HBWZTMJLXSBGON-CXUHLZMHSA-N 288.332 0.910 50 40 CCGB O=C(O)CN1CCC(I)CC1 79390394 QETCJAUCWUTRQG-UHFFFAOYSA-N 269.082 0.970 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1 3061774 HIHMZWPOBQDLNT-WOJGMQOQSA-N 282.303 0.848 50 40 CCGB O=C(NNC(=O)c1ccccc1C(=O)O)c1ccccn1 27825552 QPVOONUEOPBEJE-UHFFFAOYSA-N 285.259 0.855 50 40 CCGB N#C/C(=C/NC(=S)NCc1ccccc1)C(N)=O 102956206 YLJKNBABBHWKLL-NTMALXAHSA-N 260.322 0.543 50 40 CCGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc(O)cc1 408720287 XPXICNVGOPFHEI-RVDMUPIBSA-N 277.324 0.565 50 40 CCGB CCC(=O)NNC(=O)CCC(=O)N1C[C@H](C)C[C@@H](C)C1 199412504 WYXQCMNCKWYDGV-GHMZBOCLSA-N 283.372 0.829 50 40 CCGB O=C1NC(=O)[C@H](CCI)N1 1593933 NGOWHINSDAINDM-VKHMYHEASA-N 254.027 0.020 50 40 CCGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccncc1 4116053 OUQYAFCOGZIMDB-GIJQJNRQSA-N 283.291 0.243 50 40 CCGB Cc1cccc(OCC(=O)NNC(=O)CCC(=O)O)c1 2132212 BMYHWFBMVAMBTJ-UHFFFAOYSA-N 280.280 0.386 50 40 CCGB Cn1cc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccccc2)cn1 68249101 CFJLLDNUFKVSFQ-QWHCGFSZSA-N 284.319 0.985 50 40 CCGB O=C(CC1(C(=O)O)CCCCC1)NNC(=O)C1CC1 16479327 QBSWIMFQQCURGQ-UHFFFAOYSA-N 268.313 0.969 50 40 CCGB Cc1ccc(C(=O)NNc2nnc(C)c(O)n2)cn1 23460957 IZNDKFZIYXQXOR-UHFFFAOYSA-N 260.257 0.346 50 40 CCGB OC[C@@H]1COC[C@H](CI)O1 1684624 GWCBGCQGJPSGBW-NTSWFWBYSA-N 258.055 0.198 50 40 CCGB O=C(NNC(=O)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] 44979391 CUBJPZPXQKXSMF-SNVBAGLBSA-N 294.267 0.927 50 40 CCGB NNC(=O)c1cnc2ccc(Br)cn12 95725650 QBNAMJNGXIDVSS-UHFFFAOYSA-N 255.075 0.700 50 40 CCGB CCOc1ccc(OC)cc1CC(=O)NNC(N)=S 20134158 XAYSRNURALCCAN-UHFFFAOYSA-N 283.353 0.501 50 40 CCGB CC(C)Oc1ccc(CC(=O)NNC(N)=S)cc1 20134107 QNWGCCHUMDVYPS-UHFFFAOYSA-N 267.354 0.881 50 40 CCGB O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1ccco1 102192501 AEMZZVXFXNECQK-HLFFCZDVSA-N 292.291 0.788 50 40 CCGB O=C[C@@H](Cl)P(=O)(N1CCOCC1)N1CCOCC1 501137 IOUXCLUCHATUGT-JTQLQIEISA-N 296.691 0.608 50 40 CCGB CO[C@H]1O[C@@H](CNCCCl)[C@@H]2OC(C)(C)O[C@@H]12 4720985 YXGBRBCOIUNIDV-QEYWKRMJSA-N 265.737 0.706 50 40 CCGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1O 7813067 UUGQIHFPWAMNKV-OVCLIPMQSA-N 293.323 0.766 50 40 CCGB Cc1ccsc1C(=O)NNC(=O)CCC(=O)O 2110974 BGYHIKWDBUWUIG-UHFFFAOYSA-N 256.283 0.682 50 40 CCGB CC(C)SCC(=O)NNC(=O)c1ccccn1 24537358 YVVWOXOBJYONOE-UHFFFAOYSA-N 253.327 0.984 50 40 CCGB CN(CC(=O)NN)S(=O)(=O)c1ccc2ccccc2c1 16188009 QOLNUHXQZNPNQX-UHFFFAOYSA-N 293.348 0.450 50 40 CCGB COc1cccc(C(=O)NNC(=O)C(=O)NCC(C)C)c1 4838914 DDIYNMKGLYRLLQ-UHFFFAOYSA-N 293.323 0.228 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(O)cc1 58885163 LXNFVTXHBVTUPV-DHDCSXOGSA-N 261.281 0.535 50 40 CCGB CCOC(=O)N1CC[C@@H](Br)[C@H](O)C1 141607217 GLWZIDOUIYYEFY-RNFRBKRXSA-N 252.108 0.973 50 40 CCGB COc1cc(/C=N/NC(=O)CC(=O)NC(C)C)ccc1O 3057848 DCYOCTZGUNAECH-OVCLIPMQSA-N 293.323 0.766 50 40 CCGB COc1ccc2nc(NC(=O)C(=O)NN)sc2c1 1851772 ORWBKXCJMPGWCP-UHFFFAOYSA-N 266.282 0.233 50 40 CCGB O=C(NNC(=O)c1ccc[nH]c1=O)c1ccc(F)cc1 12940890 QGARUMJCNIRUMN-UHFFFAOYSA-N 275.239 0.589 50 40 CCGB Cc1nnc(NNC(=O)C2CCCCC2)nc1O 7424200 VJYGNNMQIWIRIA-UHFFFAOYSA-N 251.290 0.909 50 40 CCGB N#CC1=C(N)/C(=C/c2ccccc2O)C(=O)N=C1N 39431422 CIXWUFQTUBOJJI-YVMONPNESA-N 254.249 0.409 50 40 CCGB CC1=C[C@@H]([C@@H]2CC(=O)OC2=O)C[C@@H]2C(=O)OC(=O)[C@H]12 98009720 DGQOZCNCJKEVOA-CHIQAWFVSA-N 264.233 0.358 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1sccc1C 5748622 WWBWZZOSNHKKLH-NTUHNPAUSA-N 251.311 0.809 50 40 CCGB CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1ccccc1 4084716 AVIACSDETLXKIL-GARJFASQSA-N 291.307 0.040 50 40 CCGB CC(C)OC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167627 UEHNESQRQLJKJZ-RQJHMYQMSA-N 271.791 0.690 50 40 CCGB COc1cc(/C=N/NC(N)=O)cc([N+](=O)[O-])c1O 34800899 SCPTZWUKOOHLEG-NYYWCZLTSA-N 254.202 0.311 50 40 CCGB CC(C)(C)NC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167812 RHVJMCXQYHJVOB-BQBZGAKWSA-N 284.834 0.653 50 40 CCGB COC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1 134232 QMWCERIAQGLNKO-UHFFFAOYSA-N 287.297 0.194 50 40 CCGB C/C(=N\NC(N)=O)[C@@]1(C)C[C@@]2(CC(C)(C)OC2=O)C(=O)O1 4497889 XUZRWPYILFNIRR-IDIWCXONSA-N 297.311 0.448 50 40 CCGB NC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccs2)C1 7958388 NMEGZZUOFYRPSR-QMMMGPOBSA-N 296.352 0.300 50 40 CCGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1O 5712634 RJBKXUIXVJSHPW-CXUHLZMHSA-N 293.323 0.767 50 40 CCGB Cc1cc(C)nc(NNC(=O)C2=NN(C)C(=O)CC2)n1 22235449 KYFXVPRSKINBRQ-UHFFFAOYSA-N 276.300 0.145 50 40 CCGB CC(C)(C(=O)NN)N1CCN(c2ccccc2)CC1 22538956 WGKNNZHRLSGGEM-UHFFFAOYSA-N 262.357 0.577 50 40 CCGB COC(=O)COc1ccccc1/C=N/NC(C)=O 409009242 CICJGWCLQYBGJB-NTUHNPAUSA-N 250.254 0.708 50 40 CCGB O=C=NCCCC[C@@H](N=C=O)C(=O)OCCN=C=O 103735205 GNDOBZLRZOCGAS-SNVBAGLBSA-N 267.241 0.076 50 40 CCGB CC1(C)C(C#N)=C(SCC(N)=O)NC(=O)[C@@H]1C#N 141458 PLZUITLKNIXSGQ-LURJTMIESA-N 264.310 0.236 50 40 CCGB O=C(CC(=O)N/N=C/c1ccco1)NCc1cccnc1 4116075 QFWIDOVQRAIECJ-LICLKQGHSA-N 286.291 0.831 50 40 CCGB O=C(N/N=C1C(=N\O)\CCc2nonc2\1)c1ccccc1 12375879 AQGYTYNQLSPLDY-CBYOLGTLSA-N 285.263 0.980 50 40 CCGB CC(C)(C)S(=O)(=O)CCSS(=O)(=O)O 3160902 HZWMYOQOKOWSJA-UHFFFAOYSA-N 262.374 0.736 50 40 CCGB O=S1(=O)N=C2CCCCCN2[C@@H](CCl)N1 3885919 RBSGYWGUXYQIHZ-QMMMGPOBSA-N 251.739 0.674 50 40 CCGB O=S1(=O)C[C@H](Cl)[C@@H](S(=O)(=O)c2ccccc2)C1 3097900 DPAIRKUUQGESTH-UWVGGRQHSA-N 294.781 0.865 50 40 CCGB Cc1ccc(/C=C/C(=O)NNC(=O)[C@H]2CCCO2)o1 32257317 PAGFXUYWCCVTOI-XUIVZRPNSA-N 264.281 0.928 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1847257 TXUDUPRGCUBAHX-MDWZMJQESA-O 265.293 0.751 50 40 CCGB Cc1nn(-c2ccccc2Cl)nc1C(=O)NN 57353050 ZCHRANLFUONWID-UHFFFAOYSA-N 251.677 0.833 50 40 CCGB CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(Cl)cc1 4603350 GCSXSUFXUQLHFZ-UHFFFAOYSA-N 297.742 0.555 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 3471956 PKECIDSERUXHFV-UUILKARUSA-N 270.632 0.184 50 40 CCGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCC1 6310476 RGKPDOSDYVZCFL-LBPRGKRZSA-N 276.292 0.774 50 40 CCGB COc1cc2c(=O)ccn(CC(=O)NN)c2cc1Cl 64874640 ZEZRQTYIGFWLCE-UHFFFAOYSA-N 281.699 0.653 50 40 CCGB CC(=O)OC[C@H]1O[C@@H](Br)[C@@H](F)[C@@H]1OC(C)=O 82049641 RRMQYPUUXPVYJW-BZNPZCIMSA-N 299.092 0.939 50 40 CCGB O=C(CNC(=O)n1ccnc1)N/N=C\c1ccccc1O 17128531 OSTAEHRKYVOKSG-APSNUPSMSA-N 287.279 0.297 50 40 CCGB C=CCOc1ccc(/C=N/NC(=O)C(N)=O)cc1OC 3575460 WLOVYTMEQFULQQ-OVCLIPMQSA-N 277.280 0.195 50 40 CCGB NNC(=O)c1cnc(-c2ccccc2)nc1N1CCOCC1 223461755 PWWXKIDAZUBAKM-UHFFFAOYSA-N 299.334 0.584 50 40 CCGB CS(=O)(=O)c1ccc(C[C@@H]2NC(=O)OC2=O)cc1 1772714972 LQYCCJJARCQYKJ-VIFPVBQESA-N 269.278 0.268 50 40 CCGB CCC[C@@H]1C/C(=N/NC(N)=O)[C@H](NNC(N)=O)[C@H](C)C1 32077942 MURNLHPXXRPLPI-NGNFKMDUSA-N 284.364 0.398 50 40 CCGB NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1470070 HHWYGBZXXGNMCW-UHFFFAOYSA-N 297.380 0.855 50 40 CCGB CCNC(=S)NNC(=O)[C@H](C)Oc1ccccc1 6401356 AOZKRTVFOOTPHW-VIFPVBQESA-N 267.354 0.969 50 40 CCGB COc1ccccc1/C=N/NC(=O)CN1CCOCC1 32109294 QDXAIUARQAVMRC-XNTDXEJSSA-N 277.324 0.478 50 40 CCGB CCNC(=S)NNC(=O)COc1ccc(C)cc1 5795315 MMYPYFFPVSYABK-UHFFFAOYSA-N 267.354 0.889 50 40 CCGB C[C@H](C(=O)NN)N1CCN(c2ccc(F)cc2)CC1 30769483 XYNLULLKSJPEPW-SNVBAGLBSA-N 266.320 0.326 50 40 CCGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1ccncc1 1750647 FCDYLLCUDDRTKT-NTUHNPAUSA-N 295.276 0.685 50 40 CCGB O=C(NNS(=O)(=O)c1ccccc1F)c1ccccn1 7386044 BYFXXDMCKHRUCS-UHFFFAOYSA-N 295.295 0.844 50 40 CCGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1O 5284716 KANMMSFFWNRGIC-VGOFMYFVSA-N 279.296 0.376 50 40 CCGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 13230338 SFQDVRXDAWALBL-VXNVDRBHSA-N 262.313 0.706 50 40 CCGB CNC(=S)NNC(=O)COc1ccc(C)c(C)c1 8690734 PHZKFANHFSSLPM-UHFFFAOYSA-N 267.354 0.807 50 40 CCGB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NN 32579478 HMUFKDKHPOKICZ-SNVBAGLBSA-N 253.277 0.570 50 40 CCGB O=C(Cl)O[C@@H]1CS(=O)(=O)C[C@@H]1OC(=O)Cl 100846915 KONMOGIZAMPYTO-ZXZARUISSA-N 277.081 0.903 50 40 CCGB FC(F)(F)[C@H]1C=c2[nH]cnc2=C[C@@H]1Br 169798781 OYZARWWKTKQJFF-WHFBIAKZSA-N 267.048 0.926 50 40 CCGB NNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1908509083 CLQFPKLITPFLQV-LLVKDONJSA-N 263.297 0.635 50 40 CCGB OCCNC(=S)SSC(=S)NCCO 5178792 OSMQUMZJDRKUIJ-UHFFFAOYSA-N 272.442 0.101 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3057911 RNDHJIXOMLEBMI-RIYZIHGNSA-N 292.295 0.960 50 40 CCGB O=C1NC(=O)[C@H](Br)[C@H]1Br 115371992 PPSCYXMFBQJFGC-JCYAYHJZSA-N 256.881 0.170 50 40 CCGB NNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 1044975 DSRNLSZIIMNWMO-UHFFFAOYSA-N 286.217 0.349 50 40 CCGB CC(=O)Nc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1 1847118 PDELRDLTDIFEHP-UHFFFAOYSA-O 277.348 0.801 50 40 CCGB C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)C1CC1 58418126 ORMIAHNVJFQZKA-MWLCHTKSSA-N 270.329 0.518 50 40 CCGB COc1cc2ncc(C(=O)NN)c(N)c2cc1OC 64873615 DSJHOJPSCLQHBD-UHFFFAOYSA-N 262.269 0.438 50 40 CCGB COC(=O)NNC(=O)[C@H](C)NC(=O)c1ccccc1 2664412 ZLOJDUOKQKUWJZ-QMMMGPOBSA-N 265.269 0.192 50 40 CCGB CNC(=S)NNC(=O)COc1cccc(C)c1 7555647 JMEMJBFFDUYJDR-UHFFFAOYSA-N 253.327 0.499 50 40 CCGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NC(N)=O 217379189 LSJIZCRIUJAWDW-YVMONPNESA-N 260.209 0.697 50 40 CCGB O=C(Nc1ncccn1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575420942 LEENTZUTCMQJBX-NKWVEPMBSA-N 290.732 0.003 50 40 CCGB O=C1NC(=O)[C@@H](Br)[C@@H]1Br 115371995 PPSCYXMFBQJFGC-LWMBPPNESA-N 256.881 0.170 50 40 CCGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@H]1c1ccc([N+](=O)[O-])o1 5945280 ALUIUEIQGMRHBF-SECBINFHSA-N 289.203 0.806 50 40 CCGB CCOC(=O)c1ccc(NNC=O)c([N+](=O)[O-])c1 4088047 HWSWEDYSDBFPMF-UHFFFAOYSA-N 253.214 0.844 50 40 CCGB C=CCNC(=S)NNC(=O)CCN1CCCCC1 4951193 PCYORYKTGSABFF-UHFFFAOYSA-N 270.402 0.544 50 40 CCGB COC(=O)NNS(=O)(=O)/C=C/c1ccccc1 7405513 AHUADGBHDMYGDW-BQYQJAHWSA-N 256.283 0.848 50 40 CCGB NOCCOCCOCCOCCBr 575419761 UWCFCSQLYSKMDZ-UHFFFAOYSA-N 272.139 0.321 50 40 CCGB CCO/C(CC(=O)NN)=N/Nc1ccccc1[N+](=O)[O-] 16681945 IZANUKCOEADNEA-RVDMUPIBSA-N 281.272 0.737 50 40 CCGB CNC(=O)N(CCO)/N=C/c1ccc([N+](=O)[O-])o1 1684388 GWKWFWHQOVFKPI-IZZDOVSWSA-N 256.218 0.155 50 40 CCGB NNC(=O)c1[nH]ncc1NCc1ccc2c(c1)OCO2 4629587 JCYCLNSIXWTQAY-UHFFFAOYSA-N 275.268 0.354 50 40 CCGB CCOC(=O)COc1ccccc1/C=N/NC(=O)CC#N 4739417 BIZCOYQSVVOQCU-CXUHLZMHSA-N 289.291 0.992 50 40 CCGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CN1CCOCC1 408719399 DKBHHYHGUPCYJU-UAKDJOGKSA-N 297.355 0.154 50 40 CCGB CC(C)Sc1nc(N)cc(SCC(=O)NN)n1 223463763 MTDVQBDNBUHYGS-UHFFFAOYSA-N 273.387 0.641 50 40 CCGB CC(=O)O[C@@H]1CO[C@H](Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4991112 JWDUFIUUDGFMTM-DBIOUOCHSA-N 294.687 0.377 50 40 CCGB COc1ccc2c(c1)/C(=N\NC(=O)CCCO)C(=O)N2 59472626 KPMVIAHXLGVXMN-UHFFFAOYSA-N 277.280 0.240 50 40 CCGB COC(=O)[C@@H]1CCC(/C(C#N)=C2/CC[C@H](C(=O)OC)N2)=N1 104273038 HEMMGWQVSFWCAQ-STNFYNBXSA-N 291.307 0.465 50 40 CCGB O[C@H](CCl)COCC#CC#CCOC[C@@H](O)CCl 104830031 NYSTVRRHVZDFSN-TXEJJXNPSA-N 295.162 0.226 50 40 CCGB Nc1nc2nc(CBr)cnc2c(=O)[nH]1 65735007 WUDDQFASPLMQEC-UHFFFAOYSA-N 256.063 0.190 50 40 CCGB in-vitro CCOC(=O)[C@@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1ccccc1 4084717 AVIACSDETLXKIL-DCAQKATOSA-N 291.307 0.040 50 40 CCGB O=C(NNC(=O)c1cnccn1)c1ccc(F)cc1 256139 IIMIHWPWLLCBFR-UHFFFAOYSA-N 260.228 0.691 50 40 CCGB O=C1NCCC[C@@H]1C(=O)N/N=C/c1cccc(O)c1 553017 VZDZDICOJYALPG-UXYFDLPDSA-N 261.281 0.369 50 40 CCGB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NN 4690566 GTVHJEXLDSJVRU-SNVBAGLBSA-N 253.277 0.570 50 40 CCGB Cc1cc(C(=O)N/N=C/c2c(C)nn(C)c2F)n[nH]1 252485767 HDMBWEBCYUSNRT-WLRTZDKTSA-N 264.264 0.663 50 40 CCGB CO/N=C(/C(=O)O)c1csc(NC(=O)CCl)n1 1081153 JVFVSVLCXCDOPD-WUXMJOGZSA-N 277.689 0.756 50 40 CCGB Cc1nnc(NNC(=O)Cc2ccccc2F)[nH]c1=O 22239388 SMMDRGPOHAEFKV-UHFFFAOYSA-N 277.259 0.298 50 40 CCGB NNC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1N 20031902 UVZRYMQSWBUFBU-UHFFFAOYSA-N 286.217 0.472 50 40 CCGB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)NN 6922327 AELBHRFHEMQBTD-UHFFFAOYSA-N 262.265 0.779 50 40 CCGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc(F)cc1 58915856 JXODLYMUQFPALT-LFIBNONCSA-N 279.315 0.998 50 40 CCGB N#CC1=C(N)NC(=S)[C@H](C(N)=O)[C@@H]1c1ccccc1 48842 OYQDXAAMRAEMKX-ZJUUUORDSA-N 272.333 0.496 50 40 CCGB C[C@@H]1C(=O)NN=C1C(=O)N/N=C\C=C\c1ccccc1 100552620 PHCYXFNVWPZDIX-BHXQJTLPSA-N 270.292 0.924 50 40 CCGB CC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1)C(C)C 8290212 FZBJUCLNOJHWNI-GFCCVEGCSA-N 277.324 0.608 50 40 CCGB O=C(CN1CCCCC1)NC(=O)N/N=C/c1ccco1 8618845 XMGRLYBRQYDKPB-NTEUORMPSA-N 278.312 0.925 50 40 CCGB CCOC(=O)/C(C#N)=C(/NCCO)NCc1cccnc1 103551516 SEPVHOATOGHOFQ-SEYXRHQNSA-N 290.323 0.051 50 40 CCGB NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 4702343 JXQWYOBEUYMFCD-ZETCQYMHSA-N 298.140 0.792 50 40 CCGB CCOC(=O)[C@@H]1C=C(C#N)O[C@H]2[C@H]1C(=O)N(C)C(=O)N2C 245239135 FQMMAYXEHSLUPZ-KKZNHRDASA-N 293.279 0.069 50 40 CCGB COC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br 4698157 BXVYBBSXCGDGSK-LXTFHKNLSA-N 275.098 0.730 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 408968823 BUEFGAMCAJEOQT-KOLYXTFFSA-N 293.323 0.766 50 40 CCGB NNC(=O)CCCN1CCN(c2ccccc2)CC1 22123920 BIPFSKOEHIZOBG-UHFFFAOYSA-N 262.357 0.579 50 40 CCGB CC(C)Cn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O 11566777 HHRJFISOYUHADD-UHFFFAOYSA-N 259.693 0.196 50 40 CCGB CCCOc1ccc(N2C[C@H](C(=O)NN)CC2=O)cc1 66055582 PZGHFGYIEZQSSN-SNVBAGLBSA-N 277.324 0.818 50 40 CCGB CCCCCC[C@@]1(/C=N/NC(N)=O)NC(=O)NC1=O 1602430 HYUOSUMGCNCBQN-DELQEKLWSA-N 269.305 0.189 50 40 CCGB Nc1nonc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 492798 PZNQJBHDBAUSPT-LFYBBSHMSA-N 276.212 0.324 50 40 CCGB NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 3526874 PMYANXVJTOZPMD-VIZOYTHASA-N 257.249 0.481 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(O)cc1 7812985 UGZYVINGQXIJFT-WIJRQFRKSA-N 291.307 0.138 50 40 CCGB O=C(Cl)c1nn(-c2ccccc2)c(=O)[nH]c1=O 145090789 LERHIRNHVDPFFM-UHFFFAOYSA-N 251.629 0.300 50 40 CCGB COC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 5511027 GQCGLTWGMLMMJI-UHFFFAOYSA-N 275.242 0.144 50 40 CCGB COc1ccc(OCC(=O)NNC(=S)NC2CC2)cc1 2788457 QUZRAIABTVTVDR-UHFFFAOYSA-N 295.364 0.732 50 40 CCGB O=C(NCCCl)NNC(=O)c1ccc(O)cc1 3225609 CMAUEIJIZRLILE-UHFFFAOYSA-N 257.677 0.575 50 40 CCGB O=C(N/N=C/c1ccc(O)cc1)C(=O)N1CCCCC1 59366730 SWPGSSWCLIDRDY-XNTDXEJSSA-N 275.308 0.855 50 40 CCGB CCNC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 5825571 FATMKEHTXTWHPB-UHFFFAOYSA-N 278.312 0.592 50 40 CCGB O=C(CNC(=O)c1ccncc1)N/N=C/c1cccnc1 2267160 RCSVJBMOZJTMDY-GIJQJNRQSA-N 283.291 0.357 50 40 CCGB C/C(=N\NC(=O)C1CC1)c1c(O)cc(C)oc1=O 4155203 RUBBNKVFVARVJQ-NTUHNPAUSA-N 250.254 0.904 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 5377285 LUFPPJUYMJUGQV-OVCLIPMQSA-N 275.264 0.137 50 40 CCGB CN(CCSSCCN(C)C(N)=S)C(N)=S 5599780 XBJFOBPZJUHDTF-UHFFFAOYSA-N 298.528 0.719 50 40 CCGB CCc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1 5477254 MPBKTQRQLMABPI-GZTJUZNOSA-N 291.351 0.852 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)NN=C1CCCCC1 59434341 CYPCXVYMMJLCGN-LLVKDONJSA-N 267.329 0.718 50 40 CCGB Nc1nonc1CC(=O)N/N=C/c1ccc2c(c1)OCO2 264038 GGGIXTRWXZWGKI-LHHJGKSTSA-N 289.251 0.073 50 40 CCGB CC/C(Cc1ccccc1)=N\NC(=O)Cn1nnc(N)n1 13551559 HFUXFSSZKPXCCV-RVDMUPIBSA-N 287.327 0.380 50 40 CCGB CC(=O)OC1=C[C@@]2(OC(C)=O)C[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104130702 MGEWFWRXHZVKCP-YTDXRRJTSA-N 280.232 0.085 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1O 408970183 CEXGFUGWOHSSDZ-KOLYXTFFSA-N 293.323 0.766 50 40 CCGB CCOC(=O)NNC(=O)NC[C@@H]1COc2ccccc2O1 31023335 JIPMMCZDEOKCQM-SECBINFHSA-N 295.295 0.787 50 40 CCGB O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccncc1 4578611 RJUICIQRGODBHD-WDEREUQCSA-N 291.307 0.734 50 40 CCGB CSc1ccc(/C=N/NC(=O)Cn2nnnc2N)cc1 258722 AWSRUAANHTVXCG-AWNIVKPZSA-N 291.340 0.128 50 40 CCGB CCN(CC)C(=O)C(=O)N/N=C(\C)CC(=O)NC(C)(C)C 5313736 JUCCYTSJAIEMDO-MHWRWJLKSA-N 298.387 0.652 50 40 CCGB CC[C@H](C)N(NC(C)=O)c1nc(OC)nc(N(C)C)n1 1271986 JHSAYEUUCBYBPZ-QMMMGPOBSA-N 282.348 0.602 50 40 CCGB O=C(O)CN1C(=O)[C@@H]2C[C@H](Cl)[C@H](Cl)C[C@H]2C1=O 408688401 WQHHDDSOHCABSS-GBNDHIKLSA-N 280.107 0.681 50 40 CCGB CCC[C@H]1C/C(=N/NC(N)=O)[C@@H](NNC(N)=O)[C@H](C)C1 5432005 MURNLHPXXRPLPI-AJXLVWNVSA-N 284.364 0.398 50 40 CCGB COCC(=O)N/N=C/c1cc(=O)n(C)c2ccccc12 16364079 BVPZBNARSRGRHH-OVCLIPMQSA-N 273.292 0.635 50 40 CCGB N#C/C(N)=C(C#N)\N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 100942457 DDXICRIRDVJOPD-TXFHJUGESA-N 285.219 0.960 50 40 CCGB O=S(=O)(O)CCc1cc[n+](C[C@@H](O)CCl)cc1 3040206 QKQZGDWOKJILSS-JTQLQIEISA-O 280.753 0.004 50 40 CCGB NC(=O)N/N=C1/CC[C@H]2C[C@H]1CC/C2=N\NC(N)=O 101131799 BUGBBBRCRQAXGR-HUHRJDJMSA-N 266.305 0.245 50 40 CCGB C[C@@H](C(=O)NN)S(=O)(=O)c1ccc2ccccc2c1 95929496 LQLRYHMNUWAHJM-VIFPVBQESA-N 278.333 0.992 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)[C@@H]2CCCNC2=O)cc1 225487 UCMKQIUGKFIYBM-VGSSETLESA-N 288.351 0.729 50 40 CCGB C[C@H](CC(=O)O)CC(=O)NNC(=O)Cc1ccccc1 26807915 RYTIHVIBLMDRIJ-JTQLQIEISA-N 278.308 0.877 50 40 CCGB CCS(=O)(=O)[C@H](Br)[C@H](O)C1CC1 96519144 MYXBOZXBMCETLV-RQJHMYQMSA-N 257.149 0.913 50 40 CCGB CC(C)(CCl)C(=O)ON1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 169803780 RLUGIZGNCMVOBE-BGZDPUMWSA-N 299.710 0.648 50 40 CCGB CCOC(=O)COc1cc(/C=N/NC(N)=O)ccc1OC 6954870 SCTTVWORKNQAOB-VIZOYTHASA-N 295.295 0.639 50 40 CCGB C[C@H]1CN(C)[C@H](C)[C@@H](/C=C(\C#N)C(N)=S)C1=O 105296067 DDJDOUUUOIGZKM-JTLMYWPJSA-N 251.355 0.878 50 40 CCGB COc1ccc([C@H]2Nc3ncnn3C(N)=C2C#N)cc1O 18199356 ZXTYXYJAHUAVLB-LLVKDONJSA-N 284.279 0.810 50 40 CCGB COc1ccccc1/C=N/NC(=O)C(=O)NCC(C)C 32116923 SREJWPFKQNQBJI-CXUHLZMHSA-N 277.324 0.918 50 40 CCGB OB(O)c1ccc(OCCCc2ccccc2)nc1 299859788 IJHGHXMVGOWKAM-UHFFFAOYSA-N 257.098 0.773 50 40 CCGB CCO[C@H]1OC(C(N)=O)=CC[C@@H]1Br 16918417 ZHBWFGRERMQGJI-XNCJUZBTSA-N 250.092 0.902 50 40 CCGB COc1ccc(/C=N/NC(=O)c2cc[n+]([O-])cc2)cc1O 3219128 QZANQFRIOFTUIM-OQLLNIDSSA-N 287.275 0.798 50 40 CCGB Cc1[nH]nc(O)c1CC(=O)N/N=C/c1cccn1C 264920 USYSWRAXRRNNHY-NTUHNPAUSA-N 261.285 0.455 50 40 CCGB C/C(=N\NC(N)=O)c1ccc(OCC(=O)N(C)C)cc1 21187571 GLISXBSLOCNUNW-OQLLNIDSSA-N 278.312 0.546 50 40 CCGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccncc1 100151615 VIMNSOQEYRRSQC-FBWGLTFQSA-N 259.269 0.044 50 40 CCGB CCC1(N(CCCl)CCCl)C(=O)NC(=O)NC1=O 1678409 RCCGFVUFZBJUCO-UHFFFAOYSA-N 296.154 0.281 50 40 CCGB O=S1(=O)N=C2CCCCCN2[C@H](CCl)N1 3885920 RBSGYWGUXYQIHZ-MRVPVSSYSA-N 251.739 0.674 50 40 CCGB N#CC1=C(N)n2ncnc2N[C@@H]1c1ccc(O)cc1 18199350 HLBOLDHAPJDLPL-SNVBAGLBSA-N 254.253 0.801 50 40 CCGB C[C@H](Oc1ccc(/C=N\NC(N)=O)cc1)C(=O)O 30803305 IWRIXBABKPESRI-FYZKPRDOSA-N 251.242 0.541 50 40 CCGB Cn1cc([C@H]2C[C@@H]2C(=O)NNC(=O)c2ccccc2)cn1 68249100 CFJLLDNUFKVSFQ-OLZOCXBDSA-N 284.319 0.985 50 40 CCGB CC(C)CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 13727284 CYRWXPOPGYQBGU-SFYZADRCSA-N 253.751 0.553 50 40 CCGB Nc1ncnc2c1ncn2C[C@@H](O)CBr 1584927 OLHHXNPUJNEDGE-YFKPBYRVSA-N 272.106 0.164 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1ccccc1O 59459648 VYJINXJIZNKSDL-MHWRWJLKSA-N 293.323 0.385 50 40 CCGB O=C(NNC(=O)c1cccc[n+]1[O-])c1cccs1 44820962 IILQOPQUJQKBEK-UHFFFAOYSA-N 263.278 0.456 50 40 CCGB CN1CCC2(CC1)C(C#N)=C(N)NC(S)=C2C#N 1079247 BENOMNTXNYSUQX-UHFFFAOYSA-N 261.354 0.660 50 40 CCGB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@H](O)CCl)C1 265610 IZUQCDFAYZCLQS-GRYCIOLGSA-N 282.771 0.867 50 40 CCGB COCc1[nH]nc2c1[C@]1(CCO[C@H]1C)C(C#N)=C(N)O2 1278193 GYHPTVOZHOBPCC-CPFSXVBKSA-N 276.296 0.689 50 40 CCGB CCOC(=O)NNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 23241920 BMKBMUGESKHSGO-GZMMTYOYSA-N 280.280 0.992 50 40 CCGB CC(=O)OCC12C3[C@H]4C5[C@H]3[C@H]1C([C@H]42)[C@H]1C(=O)OC(=O)[C@H]51 104281555 GNHPPKXQCPPJMX-OLAZFLCLSA-N 274.272 0.233 50 40 CCGB Cc1c(Br)c(C(F)F)nn1CC(=O)NN 2549542 ZLANHXHBVDXICI-UHFFFAOYSA-N 283.076 0.882 50 40 CCGB O=C(NNC1=NCCCN1)c1ccc(Cl)cc1 34218968 BXASOLGWEMFCNV-UHFFFAOYSA-N 252.705 0.924 50 40 CCGB Cc1nccnc1N1CCN(C(=O)CCl)CC1 91364023 TWDVKYQPWOSTIK-UHFFFAOYSA-N 254.721 0.672 50 40 CCGB FC(F)(F)[C@@H]1C=c2[nH]cnc2=C[C@@H]1Br 169798779 OYZARWWKTKQJFF-UHNVWZDZSA-N 267.048 0.926 50 40 CCGB C/C(=N\N)c1oc2cc(C)ccc2c1CC(=O)NN 5364160 GREJPIDXFSKCBQ-LZYBPNLTSA-N 260.297 0.956 50 40 CCGB CC(C)c1ccc(NC(=S)NNC(=O)C(N)=O)cc1 3306928 HPDQWXZXURXWCR-UHFFFAOYSA-N 280.353 0.613 50 40 CCGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1cccnc1 100151572 QVNUZVAUOGGLCA-FBWGLTFQSA-N 259.269 0.044 50 40 CCGB Cc1c(C(=O)NNC(=S)NC(C)C)cnn1C 32906326 CILIBPUKBKGLQA-UHFFFAOYSA-N 255.347 0.246 50 40 CCGB CN(C)c1ccc(C(=O)NNC2=CC(=O)OC2)cc1 6419251 FEBPBAIJAHRBHW-UHFFFAOYSA-N 261.281 0.428 50 40 CCGB Nc1cccc(C(=O)N/N=C2/C(=O)N[C@H]3C=CC=C[C@@H]23)c1 101654654 IDHFVMILTUWVON-FQTAMUNPSA-N 282.303 0.595 50 40 CCGB COCC(=O)NNC(=O)CNc1ccc(C)cc1 57390326 KACLCYDSSSZVBM-UHFFFAOYSA-N 251.286 0.201 50 40 CCGB O=C(NC[C@@H]1CCCO1)NNC(=S)NC1CC1 64936890 JKJRZTFEXRFHSI-QMMMGPOBSA-N 258.347 0.006 50 40 CCGB NNC(=O)CNC(=O)COc1ccc2c(c1)CCCC2 4672230 NPPSDKIITYIHGQ-UHFFFAOYSA-N 277.324 0.050 50 40 CCGB Cc1ccc(C(=O)NNC(=O)Cn2ccccc2=O)c(C)c1 9996245 UXPHBPYBERCYBB-UHFFFAOYSA-N 299.330 0.926 50 40 CCGB Cc1nc([N+](=O)[O-])c([N+](=O)[O-])n1C[C@H](O)CCl 5116441 AEOMUQQVEFVPDY-RXMQYKEDSA-N 264.625 0.608 50 40 CCGB O=C(O)CCC(=O)NNc1ncnc2ccccc12 3351116 WONZSINVJYPFAA-UHFFFAOYSA-N 260.253 0.938 50 40 CCGB N/C(=N\NC(=O)c1ccccc1O)c1ccccn1 32501668 OXIXIKUEJFIPRA-UHFFFAOYSA-N 256.265 0.838 50 40 CCGB COC(=O)/C(=N\NC(N)=O)[C@H](C#N)c1ccccc1 5722442 WKOMURDLCQWVJI-ZLPNXAQZSA-N 260.253 0.491 50 40 CCGB CCOc1ccccc1/C=N/NC(=O)CN1CCOCC1 59246900 NROWHBSZFGEVSO-LFIBNONCSA-N 291.351 0.868 50 40 CCGB Cn1ncc2c(NNC(=O)c3ccc(O)cc3)ncnc21 13523740 UIEMGMMBRWWJAY-UHFFFAOYSA-N 284.279 0.826 50 40 CCGB CC[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9575431 LPTMDSYLRLZOTE-BIIVOSGPSA-N 253.751 0.553 50 40 CCGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1 15144812 RBVXYABYIFARLD-GIJQJNRQSA-N 298.302 0.710 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C\c1ccccc1C(=O)O 4744294 JQXNGYVKWGGECM-ZSOIEALJSA-O 264.305 0.541 50 40 CCGB Cc1nc2n(n1)[C@H](c1ccncc1)C(C#N)=C(N)N2 7496310 UFFZPPHBGDUFAV-SNVBAGLBSA-N 253.269 0.690 50 40 CCGB CNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O 7209765 HAGKNCGAOYSAKP-UXBLZVDNSA-N 260.249 0.803 50 40 CCGB CC(C)CNC(=S)NNC(=O)c1nn(C)cc1Cl 8686067 LACYRZNGEAIBFC-UHFFFAOYSA-N 289.792 0.838 50 40 CCGB CC(=O)Nc1cn2c([N+](=O)[O-])c(C(=O)NN)nc2cc1C 45068086 JJLUODVISXQWLU-UHFFFAOYSA-N 292.255 0.113 50 40 CCGB O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1cnns1 54151811 RPRLTPWSMVEPFZ-UHFFFAOYSA-N 292.324 0.215 50 40 CCGB Cc1ccc(S(=O)(=O)N[C@@H]2CC(=O)OC2=O)cc1 105470228 VNMAMGMXPZCSRG-SECBINFHSA-N 269.278 0.115 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(F)cc1 3062045 RSSGAXZDQPTCFM-CXUHLZMHSA-N 263.272 0.968 50 40 CCGB COc1cccc(/C=N\NC(=O)CN(C)C)c1O 17222861 SILBEOKOLWSVMC-QPEQYQDCSA-N 251.286 0.413 50 40 CCGB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCl 10104370 XIGOWSJSBJDGJP-UHFFFAOYSA-N 281.703 0.223 50 40 CCGB CCOc1ccc(/C=N/NC(=O)Cn2cncn2)cc1O 4897923 QUVFHZJJMLQHNZ-GIDUJCDVSA-N 289.295 0.533 50 40 CCGB COC(=O)CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1948032 FDEDGAOGWVZFNZ-UHFFFAOYSA-N 295.251 0.309 50 40 CCGB CC12CN3CCN(CC(C3)C1=NNC(=O)c1ccncc1)C2 19873073 ZHHOBFBPINDCCJ-UHFFFAOYSA-N 299.378 0.435 50 40 CCGB Nc1ncc(/C=N\NC(=O)c2ccccc2N)cn1 30846390 HTLGBIQJLUQRIO-IDUWFGFVSA-N 256.269 0.405 50 40 CCGB COc1cc(C(=O)NNC(=O)C2CC2)cc(OC)c1OC 502633 XEZPSBVJUCYUSN-UHFFFAOYSA-N 294.307 0.883 50 40 CCGB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCl)n2C 3888469 IDGLEPAAILVMAZ-UHFFFAOYSA-N 270.720 0.962 50 40 CCGB CC(=O)/C=C\C(=O)NNS(=O)(=O)c1ccc(C)cc1 31840431 OPBWKLXVROIGOJ-YVMONPNESA-N 282.321 0.450 50 40 CCGB CCCC[C@H](CCC(=O)NNC(N)=S)C(=O)O 2335013 HQMPLZPCQKFYAL-SSDOTTSWSA-N 261.347 0.522 50 40 CCGB COCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)NN 27525474 NGHFWUQMJNWUFR-LLVKDONJSA-N 279.340 0.661 50 40 CCGB CCN1C(C#N)=C(C#N)N[C@@H]2C(C(C)=O)=C(C)O[C@H]21 33821710 XTQMEILLOYOLLS-CHWSQXEVSA-N 258.281 0.758 50 40 CCGB O=C(O)CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 2771268 WOVKSEHZRQPYMW-UHFFFAOYSA-N 281.224 0.221 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccco1 3061023 QXLPMYPTXPRRKG-MBBDXHFBSA-N 265.269 0.025 50 40 CCGB Cc1cc(C(=O)NNC(=S)NCc2ccco2)nn1C 13471287 IGPMLKRJYJXQPV-UHFFFAOYSA-N 293.352 0.631 50 40 CCGB Cn1cc(Cl)cc1C(=O)NNC(=O)[C@H]1CCCO1 42002100 YIBNVRJAWSLOER-SECBINFHSA-N 271.704 0.619 50 40 CCGB NNC(=O)c1cnc2cc(Br)ccn12 95725653 JUINVUFCFBWLQI-UHFFFAOYSA-N 255.075 0.700 50 40 CCGB N#CC1=C(N)NC(=O)[C@@H](C(N)=O)[C@@H]1c1ccccc1Cl 1578352 GJVSWTDPBQXGAN-NXEZZACHSA-N 290.710 0.349 50 40 CCGB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NN)cc1 6327850 KLTARKPPWKJKKO-UHFFFAOYSA-N 285.369 0.296 50 40 CCGB CC(=O)NNC(=O)CSc1ncnc2sccc12 6115295 OVIHQVYZEDMLJC-UHFFFAOYSA-N 282.350 0.951 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C1/C[C@@H]2C=CC[C@H]12 96883934 HUMHQSRFGIXLDJ-DYRGDTOJSA-N 273.292 0.964 50 40 CCGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)NC(N)=O 409227896 SQNMBHXURDUSGE-UITAMQMPSA-N 289.247 0.252 50 40 CCGB CSCC(=O)NNC(=O)c1cc(Cl)cn1C 22697330 AVRKNPMYXXHBQM-UHFFFAOYSA-N 261.734 0.803 50 40 CCGB COCCCNC(=O)C(=O)NN=C1CCCCCC1 4957328 BKWBMECSLIFZCR-UHFFFAOYSA-N 269.345 0.966 50 40 CCGB CCN1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101315067 UJZJLABPBMJZKV-UEBYTKGESA-N 296.801 0.342 50 40 CCGB C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)NN)cc2N1 2731968 DAPJJVXXVSASTN-NJGYIYPDSA-N 263.223 0.794 50 40 CCGB CCC(=O)NNC(=O)c1cc(OC)cc(OC)c1 2775254 SLXNGBJBWMDZJQ-UHFFFAOYSA-N 252.270 0.875 50 40 CCGB CC(C)OC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167623 UEHNESQRQLJKJZ-BQBZGAKWSA-N 271.791 0.690 50 40 CCGB Cc1ccc(S(=O)(=O)Sc2nnnn2C)cc1 5573036 HKWRBJZYIKUKHX-UHFFFAOYSA-N 270.339 1.000 50 40 CCGB COc1cc(C(=O)N/N=C/C(=O)O)cc(OC)c1OC 1671101 FZBVLTTWIBFUJE-AWNIVKPZSA-N 282.252 0.513 50 40 CCGB Nc1nonc1C(=O)N/N=C/c1ccc2c(c1)OCO2 2801991 OPOWEQJESQSVAJ-YIXHJXPBSA-N 275.224 0.144 50 40 CCGB Cn1cccc1CC(=O)NNC(=O)c1cccnc1O 12891231 CFNWFYCBSWEVFG-UHFFFAOYSA-N 274.280 0.129 50 40 CCGB CCc1ccc(OCC(=O)NNC(=O)/C=C/C(=O)O)cc1 4673020 KVVNNSRKNTVKGF-BQYQJAHWSA-N 292.291 0.416 50 40 CCGB CCS(=O)(=O)[C@H](I)C(C)=O 96517973 NKZMTPYUDNWEMQ-YFKPBYRVSA-N 276.095 0.771 50 40 CCGB N#C/C(C(N)=O)=C1/OC(=O)c2ccc([N+](=O)[O-])cc21 12375202 KOFGLANTJRUERO-HJWRWDBZSA-N 259.177 0.485 50 40 CCGB COC(=O)/C(=N/NC(N)=O)[C@@H](C#N)c1ccccc1 17197166 WKOMURDLCQWVJI-JLBUCRLOSA-N 260.253 0.491 50 40 CCGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NN)c1 60875 JVJRCNQOLBMRQX-UHFFFAOYSA-N 271.342 0.321 50 40 CCGB O=S1(=O)C[C@H](/N=C/c2ccncc2)[C@@H](Cl)C1 5906262 AAAMVMWHAHJLTN-MPMIHIHPSA-N 258.730 0.905 50 40 CCGB Nc1nnn(CC(=O)N/N=C/c2ccccc2Cl)n1 547904 FWKQGBOBWYPWDS-WLRTZDKTSA-N 279.691 0.059 50 40 CCGB CC(C)NC(=O)C(=O)NNC(=O)CSc1ccccc1 6376325 XKYLUVGFYCJUCX-UHFFFAOYSA-N 295.364 0.451 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1cccc(O)c1 59434306 JTFZGEFAOMGPOW-VCHYOVAHSA-N 298.302 0.554 50 40 CCGB N#C/C(N)=C(C#N)\N=C\c1ccc(OCC(=O)O)cc1 2582247 YVNRTMSCNOYYLL-QUNGUTFCSA-N 270.248 0.786 50 40 CCGB O=C(CO)N/N=C/c1cc(Br)ccc1O 4525868 ADAKGTDPTZXCCZ-NYYWCZLTSA-N 273.086 0.597 50 40 CCGB NNC(=O)CNC(=O)COc1ccc2ccccc2c1 4603882 IJRSLWCAALEJTE-UHFFFAOYSA-N 273.292 0.325 50 40 CCGB C[C@H]1[C@@H](/C=C(\C#N)C(N)=S)C(=O)[C@H](C)CN1C 20223217 DDJDOUUUOIGZKM-SGCWQBHVSA-N 251.355 0.878 50 40 CCGB O=C(Cn1nnc2ccccc21)N/N=C/c1ccncc1 251982 INKOICIJDIADQL-CXUHLZMHSA-N 280.291 0.977 50 40 CCGB CC1(C)O[C@@H]2[C@@H](Cl)[C@H]([C@@H]3CO[S@@](=O)O3)O[C@@H]2O1 5553410 QPZSWIPHRFNRLI-ZKQBDGNUSA-N 284.717 0.464 50 40 CCGB CCOC(=O)NNC(=O)NC[C@H]1COc2ccccc2O1 31023337 JIPMMCZDEOKCQM-VIFPVBQESA-N 295.295 0.787 50 40 CCGB O=C([C@@H]1CCCN1C(=O)CBr)N1CCCC1 72207516 BMBLFAFWDYVZNS-VIFPVBQESA-N 289.173 0.995 50 40 CCGB O=C(CCl)N[C@H]1CCCN(c2cnccn2)C1 43220341 JFSSQQQCYCUUIF-VIFPVBQESA-N 254.721 0.800 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 3178041 PIAAWDOELNOVDI-VIZOYTHASA-N 277.280 0.392 50 40 CCGB C/C(=N\NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 5186308 LLDLUEMNMIOLNT-MDWZMJQESA-N 277.240 0.925 50 40 CCGB Nc1nnc(SCC(=O)NNC(=O)c2ccco2)s1 7535538 QLTUKHOEUJZHMZ-UHFFFAOYSA-N 299.337 0.267 50 40 CCGB O=C(NNC(=S)NC(=O)c1ccco1)c1ccncc1 5676851 VNUGUQVUJXYXMX-UHFFFAOYSA-N 290.304 0.624 50 40 CCGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)CC#N 517564 KMJGWAUOTXKUNO-GFCCVEGCSA-N 291.263 0.407 50 40 CCGB biogenic O=C(Cc1noc2ccccc12)NNC(=O)C1CC1 78463504 IYWKHMYXKHYRRJ-UHFFFAOYSA-N 259.265 0.928 50 40 CCGB O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2O[C@H]1[C@H](Cl)[C@@H]2Cl 104156803 XBEBUXJCOSVHIZ-ADOSBGCESA-N 255.053 0.384 50 40 CCGB N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccoc1 18178871 SUMKLPINGMWEPM-QMMMGPOBSA-N 256.221 0.581 50 40 CCGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccc(C)o1 100143273 QZXDPFXEVJWFOX-KUKWCLJQSA-N 262.269 0.550 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1cccc(O)c1 59434402 CCSXJLMASAXMQA-OQLLNIDSSA-N 261.281 0.535 50 40 CCGB C[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NN)c2N1 2732131 UMVGQLFJWZONGT-XINAWCOVSA-N 263.223 0.794 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 7783594 OFUSIVPDCOMHOE-HXBVQPGFSA-N 291.307 0.780 50 40 CCGB COc1ccccc1CC(=O)NNc1nnc(C)c(=O)[nH]1 22239380 PQEKJLLHFYQGNF-UHFFFAOYSA-N 289.295 0.168 50 40 CCGB O=C(NNC(=O)c1csnn1)c1ccc2c(c1)OCO2 44919496 NXFKYWYFDXZVFV-UHFFFAOYSA-N 292.276 0.342 50 40 CCGB NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 143648 QPPABPJHWOUVFR-UHFFFAOYSA-N 278.337 0.327 50 40 CCGB Cn1ncc2c(NNC(=O)[C@@H](O)c3ccccc3)ncnc21 5346040 WBWYMTRHXXXFFL-NSHDSACASA-N 298.306 0.540 50 40 CCGB NNC(=O)c1cccc(S(=O)(=O)NC2CCCCC2)c1 225499499 PSQGOBVZFQEXTB-UHFFFAOYSA-N 297.380 0.901 50 40 CCGB COc1cccc(/C=N/NC(=O)c2n[nH]c(N)n2)c1OC 6182517 CHFPGPDMWFQAPO-MKMNVTDBSA-N 290.283 0.168 50 40 CCGB CC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5726130 UFWFQVPFZKDNSL-NTEUORMPSA-N 292.295 0.901 50 40 CCGB CCCCCC[C@]1(/C=N/NC(N)=O)NC(=O)NC1=O 1602428 HYUOSUMGCNCBQN-ZTFCMROMSA-N 269.305 0.189 50 40 CCGB N#CCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2166268 NYVVDNZZYDBDCA-UHFFFAOYSA-N 263.213 0.661 50 40 CCGB NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 1624608 AUJBXUFSWDKWKJ-UHFFFAOYSA-N 262.096 0.713 50 40 CCGB O=C(N/N=C\C=N/NC(=O)c1ccncc1)c1ccncc1 100494534 XHXCXDVWEDOXEB-XFQWXJFMSA-N 296.290 0.608 50 40 CCGB Cc1cc(C)nc(NNC(=O)c2ccc(=O)[nH]c2)n1 12938432 AAMWBSFAELQYPO-UHFFFAOYSA-N 259.269 0.539 50 40 CCGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)O)c1 6860504 ZPZPVFOUVZZTFH-JTQLQIEISA-N 294.307 0.775 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1ccncc1 5511670 ZUMKQZIOTWKUJC-MHWRWJLKSA-N 278.312 0.075 50 40 CCGB N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)O 22309154 XDDDOLQEZBJWFZ-LZCJLJQNSA-N 250.166 0.998 50 40 CCGB C[C@@]1(SC(=N)N)CS(=O)(=O)C[C@H]1Br 6472549 SFOVNEXOFWLOBN-INEUFUBQSA-N 287.204 0.564 50 40 CCGB COC(=O)NNCC(=O)Nc1ccsc1C(=O)OC 4419361 GKVYVFHJZDRKDJ-UHFFFAOYSA-N 287.297 0.334 50 40 CCGB C/N=C(\C[N+](=O)[O-])NNC(=O)C(Cl)(Cl)Cl 5913548 BKFGUUPHJTYFAA-UHFFFAOYSA-N 277.495 0.282 50 40 CCGB O=C(N[C@H]1C=CS(=O)(=O)C1)OC(CCl)CCl 59568371 RLZINZSNNLSQSB-LURJTMIESA-N 288.152 0.870 50 40 CCGB CC(C)NC(=O)CCNC(=O)NNC(=O)c1ccccc1 45576602 QTGAEEIFTGVBAB-UHFFFAOYSA-N 292.339 0.545 50 40 CCGB Cc1[nH]nc2c1[C@]1(CN3CCC1CC3)C(C#N)=C(N)O2 39315584 CBTAWTGWJVIYKV-AWEZNQCLSA-N 271.324 0.768 50 40 CCGB C/C(=N/NC(=O)C(N)=O)c1cccc(NC(=O)C2CC2)c1 5516799 YCCDEJFRLJMIRD-IUXPMGMMSA-N 288.307 0.361 50 40 CCGB COCc1[nH]nc2c1C1(CCN(C)CC1)C(C#N)=C(N)O2 5610659 DFYMUOMKKCJOLG-UHFFFAOYSA-N 289.339 0.606 50 40 CCGB CC1=C(C#N)C(=O)NC(=O)/C1=N/Nc1cccc(C(=O)O)c1 101162315 JSXQRLSCPJXDMK-WOJGMQOQSA-N 298.258 0.649 50 40 CCGB CC(C)(CCl)C(=O)ON1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100011403 RLUGIZGNCMVOBE-XSPKLOCKSA-N 299.710 0.648 50 40 CCGB O=C(Cc1ccccc1)NCC(=O)N/N=C/c1cccnc1 2287268 QEOCEAKPNMOJHU-YBFXNURJSA-N 296.330 0.891 50 40 CCGB O=C(CCl)NCCN1C(=O)CSC1=S 2656375 OLGLEFJJYSCVLN-UHFFFAOYSA-N 252.748 0.202 50 40 CCGB O=C(CCn1cnc([N+](=O)[O-])n1)N/N=C/c1ccncc1 2784518 STZIQVNWNYNTRV-VGOFMYFVSA-N 289.255 0.122 50 40 CCGB CC1=CC2(C)[C@H]3C(=O)OC(=O)[C@H]3C1[C@@H]1C(=O)OC(=O)[C@H]12 169797513 VPEBWHJXHKKKRE-XKUPAPKVSA-N 276.244 0.214 50 40 CCGB N=c1nc2nc(CBr)cnc2c(N)[nH]1 1857533467 PIXZDFSZAHVIMY-UHFFFAOYSA-N 255.079 0.309 50 40 CCGB Cc1n[nH]c2c1[C@@H](c1cnn(C)c1)C(C#N)=C(N)O2 6658541 RGHJCSSFQJEELF-JTQLQIEISA-N 256.269 0.670 50 40 CCGB CC(=O)N[C@@H](CC(=O)NNC(=O)C1CC1)c1ccccc1 15794273 AOQSQDDCOJDASU-ZDUSSCGKSA-N 289.335 0.811 50 40 CCGB Cc1nc([N+](=O)[O-])c([N+](=O)[O-])n1C[C@@H](O)CCl 5116442 AEOMUQQVEFVPDY-YFKPBYRVSA-N 264.625 0.608 50 40 CCGB CN(C(=S)NNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 5615239 XGIUOPBRKSXCJS-JTQLQIEISA-N 292.364 0.307 50 40 CCGB OB(O)c1ccc(OCC(F)(F)F)cc1Cl 953107771 NZCFZJBSJZLAOV-UHFFFAOYSA-N 254.400 0.961 50 40 CCGB CO[C@H]1[C@@H](O)C[C@@H](C(=O)OCCl)[C@H]2CC[C@@H](O)C[C@@H]21 6380330 WQYCZHGVAMMJAK-HRSIUBJKSA-N 292.759 0.899 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(O)cc1 58885167 AIMNZZWRZRCGHD-YBEGLDIGSA-N 293.323 0.385 50 40 CCGB COc1ccc(CCNC(=S)NNC(C)=O)cc1OC 6317903 MHZCZWZTNVXKGX-UHFFFAOYSA-N 297.380 0.762 50 40 CCGB Cc1ccc(NC(=O)COCC(=O)NN)cc1Cl 4689497 MAAGGPXQHVXFJX-UHFFFAOYSA-N 271.704 0.593 50 40 CCGB CCOC(=O)[C@]1(C)C(C#N)=C(N)Oc2[nH]nc(C)c21 6265589 VWPBEZBIJDLOQV-GFCCVEGCSA-N 262.269 0.625 50 40 CCGB CCOC(=O)NNC(=O)CNC(=O)c1ccc(C)cc1 21772188 IYBSVURZNARDSP-UHFFFAOYSA-N 279.296 0.502 50 40 CCGB O=C(CCCO)N/N=C/c1ccc([N+](=O)[O-])cc1 1957655 AWEFTVMVJKNHPY-XYOKQWHBSA-N 251.242 0.817 50 40 CCGB C/C(N)=C(\C#N)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 24536208 FAOMBGJCTNRXLX-BENRWUELSA-N 282.307 0.974 50 40 CCGB N#C/C(=C\c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(N)=O 16952061 SQBCQUDHCYPYJD-LZCJLJQNSA-N 278.180 0.601 50 40 CCGB O=C(N/N=C\c1ccccn1)C(=O)N/N=C\c1ccccn1 19879213 DJWCJHWJZFLFAC-XFQWXJFMSA-N 296.290 0.077 50 40 CCGB CC(C)[C@@H](C(=O)NN)N1CCN(c2ccccc2)CC1 22539164 LNUCNRPWPZKANU-AWEZNQCLSA-N 276.384 0.823 50 40 CCGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccc1F 100151459 CIMAQSMYARHYHM-XVBMGZJVSA-N 276.271 0.788 50 40 CCGB Cc1cc(NC(=O)NNC(=O)NCC(F)(F)F)n(C)n1 48871031 ALTZDWPSBLSAQU-UHFFFAOYSA-N 294.237 0.627 50 40 CCGB CC(C)Oc1ccc(S(=O)(=O)[C@H](C)C(=O)NN)cc1 95929436 FHAGUIWMLNUXEY-SECBINFHSA-N 286.353 0.626 50 40 CCGB O=C(CCCBr)ON1C(=O)CCC1=O 100025634 AAGAKYYEPYSBCP-UHFFFAOYSA-N 264.075 0.769 50 40 CCGB COCCNC(=O)C/C(C)=N/NC(=O)c1ccco1 100931148 JPZLXQIONRSCOE-NTEUORMPSA-N 267.285 0.538 50 40 CCGB O=[P@]1(N(CCCl)CCCl)N[C@@H](CO)CO1 104189033 VJROFXNBYFQPON-NZFNHWASSA-N 277.088 0.855 50 40 CCGB CC(C)CCNC(=S)NNC(=O)[C@H]1CCCO1 7983938 CINZADTVJXPTGY-SECBINFHSA-N 259.375 0.707 50 40 CCGB NNC(=O)c1cnc(C(Cl)(Cl)Cl)nc1 225011331 HZHLFOZDHOKZPU-UHFFFAOYSA-N 255.492 0.907 50 40 CCGB CC12CN3CCN(CC(C3)/C1=N/NC(=O)c1ccncc1)C2 100636716 ZHHOBFBPINDCCJ-JXAWBTAJSA-N 299.378 0.435 50 40 CCGB CCOc1cccc(/C=N/NC(=O)CN2CCOCC2)c1 59246897 SEEYXFRGGXYYKB-LFIBNONCSA-N 291.351 0.868 50 40 CCGB CSc1ccc(/C=N/NC(=O)[C@H]2C=NNC2=O)cc1 100948894 YAQSEIYFPGHQQO-KUKWCLJQSA-N 276.321 0.590 50 40 CCGB O=[P@]1(N(CCCl)CCCl)NC[C@@H](CO)O1 5437114 PDCGWDGPFIBNOB-NZFNHWASSA-N 277.088 0.855 50 40 CCGB NC(=O)N(CCCO)/N=C/c1ccc([N+](=O)[O-])o1 8579570 YRAXXSAIKVEZFO-IZZDOVSWSA-N 256.218 0.285 50 40 CCGB CCCCNC(=S)NNC(=O)c1cccnc1 8685720 WMKPSAXELZHEHL-UHFFFAOYSA-N 252.343 0.991 50 40 CCGB CCOC(=O)N[C@H](CC(=O)NN)c1ccccc1 408979668 NWNZIMIWQBLCMB-SNVBAGLBSA-N 251.286 0.854 50 40 CCGB O=C1CCC(=O)N1CN(CCCl)CCCl 95883113 LJPBDPWGKBOZBD-UHFFFAOYSA-N 253.129 0.873 50 40 CCGB COc1cc2[nH]c(C(=O)NN)c(N)c2cc1OC 531899 GNGHFWNKOXCBGI-UHFFFAOYSA-N 250.258 0.371 50 40 CCGB CN1CCC(=NNC(=O)CSc2ncccn2)CC1 58189440 QLGQVPFFQBSLNI-UHFFFAOYSA-N 279.369 0.767 50 40 CCGB CNC(=S)NNC(=O)[C@@H](C)Oc1cccc(C)c1 6860543 VXAAPADRVVNMFU-SECBINFHSA-N 267.354 0.887 50 40 CCGB Cc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)o1 408734018 UYTLSKYAEQCECP-CYANDVJASA-N 279.296 0.333 50 40 CCGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nccc1C 252480121 BWDBWQXDNWRUSJ-MKMNVTDBSA-N 278.291 0.523 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2ccccc2)s1 3080528 CULRZXRVJAJUFK-NTUHNPAUSA-N 261.310 0.813 50 40 CCGB COC(=O)c1c(Br)ccc(B(O)O)c1F 209791016 JWWWXGSGSHHRCJ-UHFFFAOYSA-N 276.854 0.055 50 40 CCGB CCOC(=O)NNC(=O)CCn1c(=O)oc2ccccc21 21772043 NPZLBQSUOXETTQ-UHFFFAOYSA-N 293.279 0.762 50 40 CCGB CC(C)=NNC(=O)CNS(=O)(=O)c1ccc(C)cc1 4697568 WRQUXXFMTSABQR-UHFFFAOYSA-N 283.353 0.785 50 40 CCGB O=C1CC[C@H](N[C@H]2OC(=O)c3ccccc32)C(=O)O1 104209014 NNJDQBBPQOZMKB-ONGXEEELSA-N 261.233 0.677 50 40 CCGB CCOc1cccc(C(=O)NNC(=O)CCC(=O)O)c1 2789202 RYHMVKTYLUDNQN-UHFFFAOYSA-N 280.280 0.711 50 40 CCGB CC/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 84668054 FXMYQNBCZOAVPT-YPJZTRPGSA-N 275.374 0.895 50 40 CCGB Cc1ccc(-n2cc(-c3noc(C(=O)NN)n3)nn2)cc1 85346048 QWJGTIQGHIQEHW-UHFFFAOYSA-N 285.267 0.229 50 40 CCGB NCCCNCCSSCCNCCCN 5113438 OOSNVQHPVFTIIV-UHFFFAOYSA-N 266.480 0.245 50 40 CCGB in-vitro COC(=O)[C@@H]1C[C@H]2CC=C(C#N)O[C@@H]2N1C(C)=O 4267948 MBLNUCGRWVQNNA-MIMYLULJSA-N 250.254 0.550 50 40 CCGB CC(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 2064460 IEEOVAWNMCFHGH-UHFFFAOYSA-N 282.281 0.250 50 40 CCGB COC(=O)N/N=C/c1ccc(O)c(OC)c1[N+](=O)[O-] 9434783 GUWUMDZKZGEKQS-VZUCSPMQSA-N 269.213 0.999 50 40 CCGB CSc1ccc(F)c(B(O)O)c1Br 642814788 XDMGUNOXCGJUEO-UHFFFAOYSA-N 264.912 0.990 50 40 CCGB CCCCn1c(N)c(C(=O)CCl)c(=O)[nH]c1=O 11566789 OOCDWCXUQGIVNP-UHFFFAOYSA-N 259.693 0.340 50 40 CCGB NC(=O)N(CCO)/N=C\C=C\c1ccc([N+](=O)[O-])o1 17313389 FXFISFDEMVDBSS-GZNJQHMZSA-N 268.229 0.560 50 40 CCGB O=C(CCl)N[C@H](Cc1ccc(O)cc1)C(=O)O 2004361 GDOGSOZOUAVIFX-SECBINFHSA-N 257.673 0.743 50 40 CCGB CC(=O)Nc1ccc(Cc2noc(C(=O)NN)n2)cc1 78404269 QWZMSPQOWUJKKD-UHFFFAOYSA-N 275.268 0.222 50 40 CCGB CC(C)Cn1c(=O)[nH]c(=O)c2c1nc(CCl)n2C 82517814 LUUKYHGBIWPELR-UHFFFAOYSA-N 270.720 0.818 50 40 CCGB CCOC(=O)N1CC[C@H](Br)[C@H](O)C1 141607404 GLWZIDOUIYYEFY-NKWVEPMBSA-N 252.108 0.973 50 40 CCGB O=C(CCl)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 495103 HMZILUGWVSCMJF-GXSJLCMTSA-N 288.687 0.344 50 40 CCGB CC(C)Oc1cccc(-c2n[nH]c(CC(=O)NN)n2)c1 4776493 DEMOUZHBQKBOCD-UHFFFAOYSA-N 275.312 0.791 50 40 CCGB Cn1cccc1/C=N/NC(=O)Cn1nnc2ccccc21 275624 GDNZQKFPNHKEGJ-OQLLNIDSSA-N 282.307 0.920 50 40 CCGB NNC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 32911428 ARFAVAPJERRSMQ-UHFFFAOYSA-N 266.257 0.035 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)/C=C/C(=O)O)cc1 2697397 PCEORASPNZXPML-HTEJKWGNSA-N 261.281 0.844 50 40 CCGB COC(=O)N(C)CC(=O)NNc1ccc(F)cc1 48890497 LJPGUYIQDPNDKN-UHFFFAOYSA-N 255.249 0.967 50 40 CCGB C/C(=N\NC(=O)C(N)=O)c1ccc(Br)s1 6317095 BYKCHQSZGYXFDW-NYYWCZLTSA-N 290.142 0.836 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 408968835 BXJAHYMAKKSFLO-KOLYXTFFSA-N 291.307 0.750 50 40 CCGB Nc1nnnn1CC(=O)N/N=C/C=C\c1ccccc1 6228176 BIKOTJXHBOGACJ-JCXIYKEOSA-N 271.284 0.071 50 40 CCGB CC(=O)N1CCC2(CC1)C(C#N)=C(S)NC(=O)[C@H]2C#N 377490 LHRYDZPFQRBAFV-SECBINFHSA-N 290.348 0.550 50 40 CCGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccco1 16991578 CLTOVDQKFBNUPH-QMMMGPOBSA-N 269.326 0.568 50 40 CCGB NC(=O)[C@H]1C[C@H](I)[C@H]2C[C@@H]1C(=O)O2 5083227 ZKESUOLCYWKBII-OMMKOOBNSA-N 295.076 0.227 50 40 CCGB O=C(N/N=C/c1ccc(O)cc1)c1[nH]cnc1[N+](=O)[O-] 1414287 MFBNPPZREHJIRI-LHHJGKSTSA-N 275.224 0.787 50 40 CCGB COCC(=O)NNC(=S)Nc1cccc(OC)c1 6397544 KBKFKRNPIYBCNI-UHFFFAOYSA-N 269.326 0.659 50 40 CCGB COC(=O)NNC(=S)NC(=O)c1ccccc1F 8562127 LJALMKYSDAUWTE-UHFFFAOYSA-N 271.273 0.701 50 40 CCGB NC(=S)NNC(=O)c1cccc(Br)c1 13878830 RGXFOKHIGCHXKR-UHFFFAOYSA-N 274.143 0.927 50 40 CCGB CCCCC[C@]1(/C=N\NC(N)=O)NC(=O)N(C)C1=O 17324197 ZJRDNPLJJKAVLL-NUBYWOLOSA-N 269.305 0.141 50 40 CCGB CCOC(=O)[C@@H]1C=C(C#N)O[C@H]2[C@@H]1CCN2C(C)=O 4267673 KXQJYPJOYLRICX-UTUOFQBUSA-N 264.281 0.798 50 40 CCGB CCNC(=S)NNC(=O)c1cccc(N(C)C)c1 6517713 GJWWFLMZNCCJHC-UHFFFAOYSA-N 266.370 0.881 50 40 CCGB CCOC1(OCC)[C@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 104013343 UALREHFBNSDLSV-UTINFBMNSA-N 252.266 0.887 50 40 CCGB O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1ccco1 4716664 FNOKYVIJDFZZHR-RQJHMYQMSA-N 263.702 0.414 50 40 CCGB CN1CCC(N2CCOCC2)=C(C=C(C#N)C#N)C1 19946994 OWRFETHZAXONAS-UHFFFAOYSA-N 258.325 0.882 50 40 CCGB C[C@H]1[C@@H](C(=O)O)C[C@H]([N+](=O)[O-])[C@H](Cl)[C@@H]1[N+](=O)[O-] 5328339 RRMFVDXVGDTVKZ-AZEWMMITSA-N 266.637 0.625 50 40 CCGB Cc1nn(C)c(C)c1/C=C/C(=O)NNc1ncccn1 44716020 BESPQSYFHRCOBG-AATRIKPKSA-N 272.312 0.983 50 40 CCGB CC(C)c1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1 547753 SPGRXBBSKNDWKJ-VIZOYTHASA-N 287.327 0.529 50 40 CCGB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NN 108023351 OTKCMYKUFKZWFJ-VIFPVBQESA-N 293.348 0.497 50 40 CCGB CCOC(=O)[C@@]12C=C[C@H](CC1)[C@H]1C(=O)OC(=O)[C@@H]12 100013079 YUHKVFTVEJNHJO-LHGDZMGGSA-N 250.250 0.832 50 40 CCGB NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 2555719 JXPNFSKCIDLDQU-UHFFFAOYSA-N 263.175 0.514 50 40 CCGB O=C(O)/C=C/C(=O)NNc1ccc([N+](=O)[O-])cc1 4551488 WWEXRVIEQKEYJM-AATRIKPKSA-N 251.198 0.679 50 40 CCGB N#Cc1ccccc1OCC(=O)NNC(=O)c1cccnc1 32995921 PJLOLNQAPUFVAV-UHFFFAOYSA-N 296.286 0.793 50 40 CCGB O=C1c2ccccc2C(=O)N1OC[C@@H](O)CCl 96024869 SGHASOCVCWTLCE-ZETCQYMHSA-N 255.657 0.814 50 40 CCGB CC1(C)O[C@H]2[C@@H]3OC(=O)[C@@H](Br)[C@H]3O[C@@H]2O1 5742169 FXPONKIXLZIVOT-JDSYOCTRSA-N 279.086 0.552 50 40 CCGB COC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 12768279 BMPFYXNJGPYCQW-UHFFFAOYSA-N 254.202 0.987 50 40 CCGB CCOC(=O)NNC(=O)[C@@H]1CCCN(c2ncccn2)C1 32795749 GUOWVXVNDUJPEH-SNVBAGLBSA-N 293.327 0.470 50 40 CCGB CS(=O)(=O)NNC(=O)c1ccccc1-n1cccc1 1394371 CGRCZESFBIQMTE-UHFFFAOYSA-N 279.321 0.671 50 40 CCGB O=C(N[C@@H]1CCS(=O)(=O)C1)OC(CCl)CCl 59568366 KAZALPBAXXGIPM-ZCFIWIBFSA-N 290.168 0.746 50 40 CCGB COC(=O)NNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 48652916 MBFMOGDDIQGZQV-UHFFFAOYSA-N 289.269 0.453 50 40 CCGB CNC(=S)NNC(=O)CC(=O)Nc1ccc(C)c(C)c1 9355884 MVYUXDKCNDQZIG-UHFFFAOYSA-N 294.380 0.757 50 40 CCGB CC(C)COc1ccccc1C(=O)NCCC(=O)NN 3068392 MQLKTNAEXXVYMO-UHFFFAOYSA-N 279.340 0.831 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O 6953807 RTXGNYCUBAHGSB-MKMNVTDBSA-N 269.688 0.632 50 40 CCGB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CCl 12504952 WDGHRRHYJWPHAQ-SSDOTTSWSA-N 288.756 0.850 50 40 CCGB NC(=O)C(=O)NNc1ncc(C(F)(F)F)cc1Cl 2555716 CBPVOACLMHUXMM-UHFFFAOYSA-N 282.609 0.682 50 40 CCGB Cc1ccccc1C(=O)NNC(=O)CCCCNC(N)=O 61499418 QDURGSRSVBQVMP-UHFFFAOYSA-N 292.339 0.595 50 40 CCGB NC(=O)[C@H]1CN(C(=O)CCl)c2ccccc2O1 8939847 ARXMOGIPJRHYNG-SECBINFHSA-N 254.673 0.505 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 408969588 QLBONHQGOMPUBJ-HVIDBACLSA-N 291.307 0.750 50 40 CCGB NNC(=O)c1ccnc(OCC(F)(F)F)c1F 725343349 JJYIIMMAVZRGNM-UHFFFAOYSA-N 253.155 0.765 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1cccc(OC)c1O 3062077 FHGCANKTBDXJAN-CXUHLZMHSA-N 291.307 0.543 50 40 CCGB COc1ccc(C(=O)N[C@@H](C(=O)NN)C(C)C)cc1 32579331 DCHYMIKNEYUDJK-LLVKDONJSA-N 265.313 0.440 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1ccccc1 3061964 NYWOZUJLVZNPIW-XNTDXEJSSA-N 263.297 0.289 50 40 CCGB CCC(=O)NNC(=O)CCC(=O)NCc1ccccc1 5855707 MLJUKATUHRRVAM-UHFFFAOYSA-N 277.324 0.640 50 40 CCGB C=COCCNCCC(=O)NNC(=O)c1ccccc1O 35327234 IYOVONVWQCYRBL-UHFFFAOYSA-N 293.323 0.293 50 40 CCGB O=C(Cl)[C@@H]1CC(=O)N(CCCN2CCOCC2)C1 45958450 IQBSYVYJIQRJIR-SNVBAGLBSA-N 274.748 0.323 50 40 CCGB CC(=O)N/N=c1/[nH]c2c(N)ncnc2n1Cc1ccccc1 227167322 YZHVCKFEFSTVFQ-UHFFFAOYSA-N 297.322 0.342 50 40 CCGB O=C(CCl)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 495100 HMZILUGWVSCMJF-KOLCDFICSA-N 288.687 0.344 50 40 CCGB Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1CC(=O)NN 12463261 ODIVPAHCXMLOOA-UHFFFAOYSA-N 294.227 0.151 50 40 CCGB COCCCNC(=O)NNC(=O)c1ccc2c(c1)OCO2 12731380 GPCONORJMDSBIM-UHFFFAOYSA-N 295.295 0.396 50 40 CCGB NNC(=O)CN1CCN(c2ccc3ccccc3n2)CC1 12360346 SSWNPVYOICTNCK-UHFFFAOYSA-N 285.351 0.347 50 40 CCGB C[C@@H]1C[C@H]1C(=O)NNC(=O)Cc1nc2ccccc2n1C 42237035 IZMVWAYGKYECQT-NXEZZACHSA-N 286.335 0.919 50 40 CCGB Cc1c(N(CCCl)CCCl)c(=O)n(C)c(=O)n1C 1689684 ANJFNXDMEJNOOP-UHFFFAOYSA-N 294.182 0.676 50 40 CCGB C=CCOc1ccc(/C=N/NC(=O)CO)cc1OC 59515378 CMPSSIFGNKMNTQ-RIYZIHGNSA-N 264.281 0.702 50 40 CCGB O=C(CCl)Nc1cc(-n2cnnn2)ccc1F 37654241 LLUPTESBZRCLOH-UHFFFAOYSA-N 255.640 0.979 50 40 CCGB in-vitro O=C1NCCC[C@@H]1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 551738 HYDVGLHZTPKMFG-UXYFDLPDSA-N 290.279 0.571 50 40 CCGB CN(C(=O)CBr)[C@H]1CC[S@@](=N)(=O)C1 725352860 ZYFMNPVKTQDKIC-DAZKTRTLSA-N 269.164 0.659 50 40 CCGB CCCC/C(C)=N/NC(=O)C(=O)NC[C@H]1CCCO1 59433843 ORTIEHVUYQFFFV-HGLKBHAMSA-N 269.345 0.964 50 40 CCGB CNC(=S)NNC(=O)[C@H](C)Oc1ccc(OC)cc1 6520865 ABPQIMIXBFZHFF-QMMMGPOBSA-N 283.353 0.588 50 40 CCGB NNC(=O)Cc1cnc(Cc2ccc(Cl)cc2)[nH]c1=O 223458322 KZROIBMSENMKAS-UHFFFAOYSA-N 292.726 0.547 50 40 CCGB NNC(=O)c1ccc(CN2CCN3CCC[C@@H]3C2)cc1 19957512 CACHMYNZAJAHIM-CQSZACIVSA-N 274.368 0.570 50 40 CCGB CC1CCN(S(=O)(=O)c2ccc(C(=O)NN)cc2)CC1 420810 ZIDHJPSVODXBHL-UHFFFAOYSA-N 297.380 0.711 50 40 CCGB CC(=O)[C@H](I)S(C)(=O)=O 96517933 CMCCULXEGOHBBM-SCSAIBSYSA-N 262.068 0.381 50 40 CCGB O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccncc1 5778221 LCYXEASHSSARRQ-GHMZBOCLSA-N 289.291 0.510 50 40 CCGB NNC(=O)CSc1nc(O)c2c(n1)CCCC2 16138121 YHYGPWYZODXYMP-UHFFFAOYSA-N 254.315 0.143 50 40 CCGB COc1ccc(CCCC(=O)N[C@H](C)C(=O)NN)cc1C 57291778 APURXZXDBYCECS-LLVKDONJSA-N 293.367 0.821 50 40 CCGB CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1)C(C)C 8290211 FZBJUCLNOJHWNI-LBPRGKRZSA-N 277.324 0.608 50 40 CCGB O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccco1 409376783 CWLHBKYGDVVPSK-OINDSLJFSA-N 290.275 0.564 50 40 CCGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCC(=O)O 35058854 MXCKPFHSZRSMNE-BJMVGYQFSA-N 290.275 0.941 50 40 CCGB NNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 225499845 BAFJIMMXBBPCQM-UHFFFAOYSA-N 295.320 0.362 50 40 CCGB C[C@H]1C(=O)NN=C1C(=O)N/N=C\C=C\c1ccccc1 100552618 PHCYXFNVWPZDIX-GXTVGWDMSA-N 270.292 0.924 50 40 CCGB CCOC1(OCC)[C@@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104013338 UALREHFBNSDLSV-ZYUZMQFOSA-N 252.266 0.887 50 40 CCGB C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1ccc(O)cc1 2371540 GITYASLTMIVJNR-MRVPVSSYSA-N 280.280 0.654 50 40 CCGB NNC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O 6926606 VOJOOOJLMCKSPM-UHFFFAOYSA-N 264.672 0.489 50 40 CCGB Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)C1CC1 69973190 YMVFWIVFRVIQOD-ZETCQYMHSA-N 264.329 0.698 50 40 CCGB CCOC(=O)CN1CC[C@@H](Br)C1=O 82607034 MPRWQADZAJHZQN-ZCFIWIBFSA-N 250.092 0.545 50 40 CCGB CC1=CC2(C)[C@H]3C(=O)OC(=O)[C@@H]3C1[C@H]1C(=O)OC(=O)[C@H]12 95749418 VPEBWHJXHKKKRE-DGWKVLGYSA-N 276.244 0.214 50 40 CCGB O=C(NN=Cc1ccccn1)C(=O)NN=Cc1ccccn1 254377615 DJWCJHWJZFLFAC-UHFFFAOYSA-N 296.290 0.077 50 40 CCGB CC(C)=NNC(=O)CN(c1ccccc1)S(C)(=O)=O 19954097 UQZWXHAGYQRANT-UHFFFAOYSA-N 283.353 0.965 50 40 CCGB O=C(Cc1ccccc1F)NNC(=O)c1cnccn1 11529617 BODTUNHFUUVVKD-UHFFFAOYSA-N 274.255 0.619 50 40 CCGB NNC(=O)c1cc2c(=O)[nH]c(-c3ccccc3)cn2n1 98211143 GJVUVQJBPDWEBA-UHFFFAOYSA-N 269.264 0.293 50 40 CCGB Cc1cc(=O)n(C)c(=O)n1CCCBr 2565699 ZJJBHWMEVVAJSC-UHFFFAOYSA-N 261.119 0.640 50 40 CCGB CCC(CC)=NNC(=O)C(=O)NC[C@H]1CCCO1 59434324 XCZMAONABGSVGF-SNVBAGLBSA-N 255.318 0.574 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59515397 JUHWLUWRWPADMV-RIYZIHGNSA-N 276.252 0.347 50 40 CCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CO)cc1 58882227 BNVYBJWQFGCEFZ-VIZOYTHASA-N 293.323 0.032 50 40 CCGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1cccs1 25580839 CEAZSGCKWQRGGN-UXBLZVDNSA-N 295.284 0.449 50 40 CCGB Cn1cc([C@@H]2C[C@@H]2C(=O)NNC(=O)c2ccccc2)cn1 64384027 CFJLLDNUFKVSFQ-STQMWFEESA-N 284.319 0.985 50 40 CCGB O=C1CC[C@H](C(=O)N/N=C/c2ccc3c(c2)OCO3)N1 4724661 OGRJADYTCYFXGI-ISKYKNHCSA-N 275.264 0.144 50 40 CCGB COc1ccc(/C=N/NC(=O)Cn2cncn2)c(OC)c1 4897879 TYLLYSMBGBEULJ-GIDUJCDVSA-N 289.295 0.446 50 40 CCGB O=S1(=O)C[C@@H]2Sc3nncn3[C@@H]2[C@@H]1Br 195528823 JPNIRFRMIOBGTE-VAYJURFESA-N 296.171 0.443 50 40 CCGB OB(O)c1sc(Br)cc1Br 169950159 OPWRTGBMXIXEAH-UHFFFAOYSA-N 285.753 0.953 50 40 CCGB in-vitro COc1cc(OC)c(OC)cc1/C=N/NC(N)=O 3378578 JEGTTZYFLUWYMJ-AWNIVKPZSA-N 253.258 0.715 50 40 CCGB CC1=C[C@H]2[C@H]3[C@@H]4C(=O)OC(=O)[C@@H]4[C@@H]3[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12 169683657 KLCJBGADIXBIIG-IAHCJGOHSA-N 288.255 0.070 50 40 CCGB COCCNC(=O)C/C(C)=N/NC(=O)c1ccncc1 100510224 ORBNRGCZOBEDRD-MHWRWJLKSA-N 278.312 0.340 50 40 CCGB CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(C)s1 95955356 SVDXWLQAGAJOCR-JTQLQIEISA-N 295.364 0.828 50 40 CCGB O=[P@]1(N(CCCl)CCCl)NC[C@H](CO)O1 5437113 PDCGWDGPFIBNOB-KWKYVRJSSA-N 277.088 0.855 50 40 CCGB COCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5675235 UKXZCJDPEWJPQM-UHFFFAOYSA-N 266.341 0.997 50 40 CCGB CCn1c(O)c(C(=O)NNC(C)=O)c(=O)c2ccccc21 1269312 AOEJABUMQCJBFT-UHFFFAOYSA-N 289.291 0.508 50 40 CCGB Cc1cc(C(=O)NNC(=O)[C@H]2CCCO2)c(C)o1 27610519 BNOODAFXSZSRGZ-SNVBAGLBSA-N 252.270 0.836 50 40 CCGB COC(=O)CCC(=O)NNC(=O)Cc1ccccc1 2132101 HLRABJIVDCLZDN-UHFFFAOYSA-N 264.281 0.330 50 40 CCGB ClC1C2(OCCO2)[C@@H]2CC[C@@H](O2)C12OCCO2 45070474 VPQOQOGMDITTHM-JVHMLUBASA-N 262.689 0.641 50 40 CCGB O=C(NCC(=O)N1CCCC1)N/N=C/c1ccccc1O 1579917 PBIBOLGYYADBOY-CXUHLZMHSA-N 290.323 0.648 50 40 CCGB CCOC(=O)/C=C/C(=O)NNC(=O)c1ccoc1C 4525805 CSKDHAFZGFNHQH-SNAWJCMRSA-N 266.253 0.468 50 40 CCGB COc1ccc(/C=N/NC(=O)[C@H]2CCC(=O)N2)cc1O 4724663 SHAHAKNIPAWONJ-CULDGANSSA-N 277.280 0.130 50 40 CCGB Cc1ccc(C(=O)NNC(=O)C[n+]2ccccc2)cc1 4129542 GLQLAPHPWOMPJD-UHFFFAOYSA-O 270.312 0.744 50 40 CCGB CCOC(=O)[C@@H]1C=C(C#N)O[C@H]2[C@@H]1C(=O)N(C)C(=O)N2C 4265231 FQMMAYXEHSLUPZ-YWVKMMECSA-N 293.279 0.069 50 40 CCGB CCOC(=O)[C@H]1C=C(C#N)O[C@H]2[C@@H]1C(=O)N(C)C(=O)N2C 4265233 FQMMAYXEHSLUPZ-QXEWZRGKSA-N 293.279 0.069 50 40 CCGB CCC[C@@H]1C/C(=N/NC(N)=O)[C@@H](NNC(N)=O)[C@@H](C)C1 35572495 MURNLHPXXRPLPI-RNSKZORKSA-N 284.364 0.398 50 40 CCGB N#CCC(=O)NN=C1CCC(=NNC(=O)CC#N)CC1 59501738 IPTXVLKIJRBMGG-UHFFFAOYSA-N 274.284 0.332 50 40 CCGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2nc[nH]c(=O)c21 72408143 ZPQLFOYNCMAUCB-LLVKDONJSA-N 296.286 0.997 50 40 CCGB O=C(O)[C@@H]1CO[P@@](=O)(N(CCCl)CCCl)N1 1607340 KARSYOCVUSPXFA-XABCROFNSA-N 291.071 0.947 50 40 CCGB C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NN)cc2N1 2731970 DAPJJVXXVSASTN-INEUFUBQSA-N 263.223 0.794 50 40 CCGB O=C(NNC(=O)c1ccccc1O)c1ccncc1 11639280 DUVPZMGQYBCNJS-UHFFFAOYSA-N 257.249 0.862 50 40 CCGB Cc1ccc(/C=N/NC(=O)c2nonc2N)cc1[N+](=O)[O-] 408720055 WPFGEWFTZQAQOX-WLRTZDKTSA-N 290.239 0.632 50 40 CCGB O=C(O)/C=C\C(=O)NNC(=O)c1ccc(Cl)cc1 95938767 HTKCWXDZSXBWTG-WAYWQWQTSA-N 268.656 0.742 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5377307 NNEHJOGUMBFRKJ-OQLLNIDSSA-N 290.279 0.737 50 40 CCGB O=C(Nc1c[nH]c(=O)[nH]c1=O)N(CCCl)CCCl 1692298 MDVLNLDMNIKUFS-UHFFFAOYSA-N 295.126 0.375 50 40 CCGB CC(C)CNC(=O)C(=O)NNC(=O)/C=C/c1ccccc1 4482130 ZOJMYSNRNIKYSZ-CMDGGOBGSA-N 289.335 0.619 50 40 CCGB NNC(=O)C(=O)Nc1cccc(Br)c1 36948220 HZOOEQDNUDMFIL-UHFFFAOYSA-N 258.075 0.378 50 40 CCGB NNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 225404731 BHSJTJXXICNGPC-VIFPVBQESA-N 264.285 0.801 50 40 CCGB C/C(=N\NC(=O)COc1ccc(C)cc1)C(=O)O 4036711 BVFFAXHCDQGFGU-UKTHLTGXSA-N 250.254 0.951 50 40 CCGB O=C(O)/C=C/C(=O)NNC(=O)[C@H]1C[C@@H]2CC[C@H]1C2 4099432 KXMBSMJOEHWQTE-ORDVQYNKSA-N 252.270 0.211 50 40 CCGB N#CC1=C(N)Nn2c(nnc2-c2cnccn2)S1 20726376 WSIBMSVIIQFAQD-UHFFFAOYSA-N 258.270 0.036 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2C[C@H]2C)n1 47466084 KRBYGOCYXIQLDN-XCBNKYQSSA-N 250.302 0.303 50 40 CCGB C[C@@H]1CCc2c(sc(NC(=O)C(=O)NN)c2C#N)C1 15083620 BSKTXRFTVOKJQQ-ZCFIWIBFSA-N 278.337 0.673 50 40 CCGB CC(=O)N[C@@H](C)C(=O)NNc1nc(C)cc(C)n1 21127067 XNHGZUNYRSQYHB-QMMMGPOBSA-N 251.290 0.061 50 40 CCGB C/C(=N\NC(=O)Cn1nnnc1N)c1ccc(C)cc1 547906 GGMLBLASVIRBIT-NTEUORMPSA-N 273.300 0.104 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C/c1ccccc1O 3057840 LKLBVFNZPKUETP-RIYZIHGNSA-N 263.297 0.757 50 40 CCGB C=CCNC(=S)NNC(=O)c1ccccc1OC 2117368 KYURXDXPQDEOEO-UHFFFAOYSA-N 265.338 0.990 50 40 CCGB CCCCOc1ccc(C(=O)NCC(=O)NN)cc1 2451328 SWPYRTBUMQACSB-UHFFFAOYSA-N 265.313 0.585 50 40 CCGB Cc1[nH]nc2c1[C@@]1(CN3CCC1CC3)C(C#N)=C(N)O2 39315583 CBTAWTGWJVIYKV-CQSZACIVSA-N 271.324 0.768 50 40 CCGB C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)NN 5920441 HSNMCLCCEPADMT-ZCFIWIBFSA-N 265.298 0.602 50 40 CCGB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN 3069847 PCUPCCRXJHKFCS-LBPRGKRZSA-N 260.297 0.205 50 40 CCGB Cc1ccc(OCC(=O)NNC(=O)CCl)cc1 2522978 VAGFSPQXKMUQMW-UHFFFAOYSA-N 256.689 0.760 50 40 CCGB Cc1cc(C)nc(NNC(=O)c2cc(C(=O)O)n(C)n2)n1 2785732 XOHIOGFYMUYDNF-UHFFFAOYSA-N 290.283 0.282 50 40 CCGB C[C@H](O)[C@@H](I)S(C)(=O)=O 96519214 GWTXRLRGUSNYSE-IMJSIDKUSA-N 264.084 0.173 50 40 CCGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccccc1[N+](=O)[O-] 18168683 SASSENLLJXZSJB-NTUHNPAUSA-N 289.251 0.716 50 40 CCGB C[C@H]1CC(C)(C)O[C@H](c2ccc(B(O)O)cc2)O1 204243900 HOYCJVZQXAHXOS-JOYOIKCWSA-N 250.103 0.969 50 40 CCGB O=C1[C@H]2[C@H](C(=O)N1CC#CCCl)[C@H]1CC[C@H]2O1 101151914 QUUNVRWFOIXKNW-ZYUZMQFOSA-N 253.685 0.391 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccccc1F 20248103 ZOANDJJFCZHQGF-OQLLNIDSSA-N 265.288 0.608 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1sccc1C 59435533 KKDKDNIEDNFTCP-RIYZIHGNSA-N 283.353 0.659 50 40 CCGB CC[C@@H](C)NN(CCN(CC)CC)C(=O)C1=NNC(=O)C1 101510493 PGDYCGQEUOSNLD-LLVKDONJSA-N 297.403 0.336 50 40 CCGB CC(=O)N[C@H](CC(=O)NNC(=O)C1CC1)c1ccccc1 15794274 AOQSQDDCOJDASU-CYBMUJFWSA-N 289.335 0.811 50 40 CCGB CC(C)[C@H](C(=O)NN)N1CCN(c2ccccc2)CC1 22539161 LNUCNRPWPZKANU-CQSZACIVSA-N 276.384 0.823 50 40 CCGB NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2619071 QKKQZFFBSFKXHW-UHFFFAOYSA-N 280.287 0.989 50 40 CCGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NC(N)=O 409229730 UGFBHEUSPOLVBS-BAQGIRSFSA-N 259.221 0.517 50 40 CCGB CC(C)(CCl)C(=O)ON1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 169803782 RLUGIZGNCMVOBE-HXFLIBJXSA-N 299.710 0.648 50 40 CCGB Cc1cc(C)nc(NNC(=O)CNC(=O)C(C)(C)C)n1 22701275 VJHFDZOBSZPYHT-UHFFFAOYSA-N 279.344 0.699 50 40 CCGB CCCn1nnc(NC(=S)NC(=O)CCCCl)n1 6593859 JDYLIMJBZUIQMW-UHFFFAOYSA-N 290.780 0.915 50 40 CCGB O=C(N/N=C\c1ccccc1O)c1ccc(O)nn1 83329262 RAPAYNNWKRHDGM-QPEQYQDCSA-N 258.237 0.652 50 40 CCGB C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12 100062446 CVISOHZWXIVDFN-SLQKEEQISA-N 278.304 0.673 50 40 CCGB biogenic,in-vitro CC(C)NC(=O)C(=O)NNC(=O)NC1CCCCC1 6941619 SVZXFABIXJOWOG-UHFFFAOYSA-N 270.333 0.174 50 40 CCGB CCOC(=O)NNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 44009374 CLNNVEOJIXASMF-SSDOTTSWSA-N 275.305 0.677 50 40 CCGB CC(C)(C)NC(=O)C(=O)NNC(=O)c1cccs1 5045829 SAMDKDGSPHZEPE-UHFFFAOYSA-N 269.326 0.424 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4313578 NMHZROZZBAMTID-UHFFFAOYSA-N 287.297 0.560 50 40 CCGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1 1721190 ZLWAVZIBXZACPK-UHFFFAOYSA-N 279.321 0.946 50 40 CCGB C[C@@H]1C(=O)NN=C1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 102965468 MTTACIUSOUNPAI-PQHBYJLHSA-N 289.251 0.167 50 40 CCGB O=C(N[C@H]1C=CS(=O)(=O)C1)OC[C@@H](Cl)CCl 59568579 JQJKMELGQCHPGK-BQBZGAKWSA-N 288.152 0.870 50 40 CCGB C=CCNC(=O)C/C(C)=N\NC(=O)c1cccnc1 7036540 JWIRKCKIJMXUGY-YBEGLDIGSA-N 260.297 0.880 50 40 CCGB O=C(CCl)N([C@@H]1CCS(=O)(=O)C1)[C@H]1N=CN=N1 217381197 FOAYRUXZAJDRNX-SVRRBLITSA-N 278.721 0.019 50 40 CCGB CCCCNS(=O)(=O)c1cccc(C(=O)NN)c1 225499205 RPJPVLPYJACJES-UHFFFAOYSA-N 271.342 0.369 50 40 CCGB COCOc1ccc(Br)c(B(O)O)c1F 1083799949 FCSQBGUTTZKSAT-UHFFFAOYSA-N 278.870 0.251 50 40 CCGB C=CC(=O)NCCCCCNC(=O)CBr 90627422 KVLNTIPUCYZQHA-UHFFFAOYSA-N 277.162 0.970 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C/c1ccc(O)cc1O 1847183 IQYZJVOWQNOOQA-UHFFFAOYSA-O 252.294 0.254 50 40 CCGB O=C(Cc1ccccc1)NNC(=O)c1ccc2[nH]nnc2c1 28812894 RLMCZHMKQRGERK-UHFFFAOYSA-N 295.302 0.962 50 40 CCGB O=C(NNC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] 3145362 QZXKRCMQKADHEU-UHFFFAOYSA-N 277.158 0.918 50 40 CCGB CNC(=O)[C@H]1CN(C(=O)CCl)c2ccccc2O1 12505031 YMAJFFAUKOATSS-SNVBAGLBSA-N 268.700 0.765 50 40 CCGB N#CC(/C=C1/Nc2ccccc2C1=O)=C1/NC[C@@H](CO)O1 72434063 KVDHFMUHLGZDGI-SMEAHMEWSA-N 283.287 0.895 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1cccc(OC)c1 3062061 SGSJACPGOJBFSO-MHWRWJLKSA-N 275.308 0.838 50 40 CCGB COc1cccc(/C=N/NC(=O)C[N+](C)(C)C)c1OC 1847174 MFJJOVARKGGZRM-OQLLNIDSSA-O 280.348 0.860 50 40 CCGB COc1ccc(/C=N/NC(=O)c2nonc2N)c(OC)c1 59503371 DMKLKPJFMYJLJI-MKMNVTDBSA-N 291.267 0.433 50 40 CCGB O=C(CNC(=O)c1cccs1)N/N=C/c1ccc[nH]1 2771219 JNMMFFZKACNCPE-VIZOYTHASA-N 276.321 0.956 50 40 CCGB NNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 4294059 CQODSWYQSDASFP-UHFFFAOYSA-N 265.288 0.668 50 40 CCGB CC(=O)NNS(=O)(=O)c1ccc(C)c(Cl)c1 95953260 PHUKPUNVVUXHBT-UHFFFAOYSA-N 262.718 0.978 50 40 CCGB COc1ccc(-c2nnsc2C(=O)NN)cc1OC 225310271 JJEAVOFJTIVMOV-UHFFFAOYSA-N 280.309 0.826 50 40 CCGB C[C@@H](C(=O)NN)N1CCN(c2ccc(F)cc2)CC1 30769487 XYNLULLKSJPEPW-JTQLQIEISA-N 266.320 0.326 50 40 CCGB O=C(N/N=C/c1ccncc1)C(=O)NC1CCCCC1 59459604 JBGMBSAAJGHFLF-MHWRWJLKSA-N 274.324 0.981 50 40 CCGB C/C(=N\NC(=O)C(N)=O)c1ccc(OC(F)F)cc1 5163922 SSSXWGFSKJVKGR-GIDUJCDVSA-N 271.223 0.614 50 40 CCGB NNC(=O)C1=C2CCCN2c2ccccc2S1(=O)=O 67172846 MHNATOQPYJKFNT-UHFFFAOYSA-N 279.321 0.276 50 40 CCGB Cc1cccc(/C=N\NC(=O)CN2CCOCC2)c1 33305442 KFJSSFSETDMIIT-GDNBJRDFSA-N 261.325 0.777 50 40 CCGB NNC(=O)[C@H]1CN(C(=O)C2CC2)c2ccccc2O1 225329330 RQTKBBWWPSLGEN-LLVKDONJSA-N 261.281 0.181 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 5512569 QWUHPXQAEUKTEK-OVCLIPMQSA-N 277.280 0.153 50 40 CCGB O=C(C[C@H]1CCCO1)NNC(=O)c1ccc2c(c1)OCO2 44939537 UUFUGXDAWONRJS-SNVBAGLBSA-N 292.291 0.745 50 40 CCGB O=C(NNC(=O)c1ccc(=O)[nH]c1)c1ccccc1 9050263 RSBPFVQCJRXFMW-UHFFFAOYSA-N 257.249 0.450 50 40 CCGB COCCNC(=S)NNC(=O)c1cccc(N(C)C)c1 6568808 NZUQICWUGVCPKW-UHFFFAOYSA-N 296.396 0.508 50 40 CCGB NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3278203 AYCNOKCUVRIAHN-UHFFFAOYSA-N 272.308 0.726 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C\c1ccccc1C(=O)O 408977005 BZXQJNGUMYGFIL-SXGWCWSVSA-N 289.291 0.527 50 40 CCGB O=C(Cn1ccnn1)NNC(=O)OCc1ccccc1 725327790 MJMKBBHPFJOPMF-UHFFFAOYSA-N 275.268 0.236 50 40 CCGB CCN1C(=O)C[C@@H](NNC(=O)c2ccc(Cl)cc2)C1=O 554664 IPGDDAVWONJEQB-SNVBAGLBSA-N 295.726 0.722 50 40 CCGB CC(=NNC(N)=O)c1cccc(C(C)=NNC(N)=O)c1 4266200 PVMQKKRABQFLJH-UHFFFAOYSA-N 276.300 0.471 50 40 CCGB Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN)o1 4674721 NMSMZZIZECOXGN-UHFFFAOYSA-N 299.674 0.998 50 40 CCGB CCCCC(=O)NN/C(C)=C1\C(=O)NC(=O)N=C1O 17198320 HLGAMKPWVVVHMF-UHFFFAOYSA-N 268.273 0.278 50 40 CCGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1n[nH]cc1[N+](=O)[O-] 252482014 CWSYNFABJPENBE-KGVSQERTSA-N 295.234 0.263 50 40 CCGB CCc1ccc2c(c1)/C(=N\NC(=O)CCCO)C(=O)N2 5477388 JADXPHURXLKZIF-UHFFFAOYSA-N 275.308 0.794 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C1/C[C@H]2C=CC[C@H]12 96883932 HUMHQSRFGIXLDJ-LULWHGEESA-N 273.292 0.964 50 40 CCGB C=CCN(C(=O)CCl)[C@@]1(C)CCS(=O)(=O)C1 217384369 DPHNGUXYKLCPDH-JTQLQIEISA-N 265.762 0.817 50 40 CCGB O=C(CBr)NC1CCS(=O)(=O)CC1 72208977 VNALEXGINPQZAH-UHFFFAOYSA-N 270.148 0.075 50 40 CCGB COCC(=O)NNC(=O)c1ccc2ccccc2n1 46464630 RUKWQQCDVKSXHC-UHFFFAOYSA-N 259.265 0.642 50 40 CCGB COc1cc(OC)c(B(O)O)cc1Br 725325870 DSAWAOHHKILZPQ-UHFFFAOYSA-N 260.880 0.146 50 40 CCGB Cc1sc2nc(CC(=O)NN)[nH]c(=O)c2c1C 13682827 GYHKCGHRJIOSDH-UHFFFAOYSA-N 252.299 0.134 50 40 CCGB CNC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)cc1 6845665 VZUGCUZSMHONQL-SECBINFHSA-N 267.354 0.887 50 40 CCGB COc1ccc(/C=C/C(=O)NNC(N)=S)cc1 62714336 IFMUOLNJQLZVRG-QPJJXVBHSA-N 251.311 0.573 50 40 CCGB O=C(O)c1ccc(C(=O)NNc2ncccn2)s1 69774539 XMBNXJGADGCNQO-UHFFFAOYSA-N 264.266 0.993 50 40 CCGB COc1cc(C(=O)N/N=C\N(C)C)cc(OC)c1OC 31719963 RDRGQOBWJJLXBW-ZSOIEALJSA-N 281.312 0.947 50 40 CCGB CCC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)NN)c1 225502123 CBSKGXLGXMIBSL-SECBINFHSA-N 285.369 0.757 50 40 CCGB CCOC(=O)[C@@H]1C=C(C#N)O[C@@H]2[C@H]1CCN2C(C)=O 245239600 KXQJYPJOYLRICX-QJPTWQEYSA-N 264.281 0.798 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(O)c(OC)c1 3062084 VYFXLYOHDJIHSY-CXUHLZMHSA-N 291.307 0.543 50 40 CCGB CSC1=CS(=O)(=O)[C@H](Br)C1=O 2344001 LDEUCGLWUAAHOL-YFKPBYRVSA-N 257.130 0.909 50 40 CCGB CC(=O)O[C@@H]1[C@@H]2C(=O)OC(=O)[C@@H]2[C@@H]2CCC[C@]23O[C@H]13 104275350 WZSJQZZTACNZPV-JCZKDEQYSA-N 266.249 0.185 50 40 CCGB O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] 44979388 CUBJPZPXQKXSMF-JTQLQIEISA-N 294.267 0.927 50 40 CCGB N#CC1=C(N)O[C@]2(N3CCOCC3)CCC[C@@H]2C1(C#N)C#N 22145658 GSTUHLBAZSGMOM-IUODEOHRSA-N 299.334 0.573 50 40 CCGB CC(=O)NC(=S)NNC(=O)COc1ccccc1 2064490 SNSPRPDBWVJXRY-UHFFFAOYSA-N 267.310 0.107 50 40 CCGB O=C(O)/C=C/C(=O)NNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2 100713957 KXMBSMJOEHWQTE-FNIGLHSCSA-N 252.270 0.211 50 40 CCGB Cc1ccsc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 59435545 UDYZLRXLAVJLBI-CYANDVJASA-N 295.364 0.802 50 40 CCGB C=CCNC(=S)NNC(=O)[C@H](CC)CC(C)(C)O 2259841 YUQFNZFUTMUSLN-SECBINFHSA-N 273.402 0.855 50 40 CCGB N#C/C(=C\c1cccnc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 5993695 UBJGECVIEHPBJZ-IGEMTJHASA-N 291.332 0.292 50 40 CCGB C[C@H](Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 9428871 DFZNPPVFQVIWLO-LURJTMIESA-N 262.718 0.900 50 40 CCGB CCN(C(=O)[C@@H](C)Cl)[C@@H]1CCS(=O)(=O)C1 8428167 VOIBFKKTLCVMCG-HTQZYQBOSA-N 253.751 0.649 50 40 CCGB COc1ccc(/C(C)=N/NC(N)=O)cc1[N+](=O)[O-] 48512618 LTKOIMQNWMJYDS-WUXMJOGZSA-N 252.230 0.996 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1ccccc1Cl 3061977 PMNIAUDIWSOXGU-CXUHLZMHSA-N 297.742 0.943 50 40 CCGB CN(CCCl)/N=N\c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 104368807 ZTUVUPVTWWSNGC-PFONDFGASA-N 299.722 0.130 50 40 CCGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnn[nH]1 103600840 BAJVXWOGEKAWPE-VGOFMYFVSA-N 283.295 0.682 50 40 CCGB CN(C)c1nc(N)nc(/C(C#N)=C\c2cccn2C)n1 48557256 NSSWRKFLCHSBEP-CLFYSBASSA-N 269.312 0.922 50 40 CCGB O=C(O)CCC(=O)NNc1ccc([N+](=O)[O-])cc1 4117907 GNGUHKDDRBYZGB-UHFFFAOYSA-N 253.214 0.903 50 40 CCGB CC[C@@H]1C/C(=N/NC(N)=O)[C@@H](NNC(N)=O)[C@H](C)C1 36378830 JEZGJNFSDKQEDR-KETOBZQOSA-N 270.337 0.008 50 40 CCGB NC(=O)NN[C@H](SCC(=O)O)c1ccccc1 16758398 HWJPEGSUTRKHOT-SECBINFHSA-N 255.299 0.676 50 40 CCGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1cccc([N+](=O)[O-])c1 5350019 GMYYQTFWRICSQK-NTUHNPAUSA-N 289.251 0.716 50 40 CCGB O=C(O)[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)O)[C@H](Br)[C@@H]2O 4428286 HSXXTRKWGMTWDD-GLHUEIADSA-N 279.086 0.162 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C)n2C)n1 9256071 JGJPBVNFRZYNPE-UHFFFAOYSA-N 289.339 0.608 50 40 CCGB CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C)c12 5130453 XPDWAHFUKFWMRD-UHFFFAOYSA-N 287.323 0.685 50 40 CCGB Cc1nn2c(=O)c(C(=O)NN)c[nH]c2c1-c1ccccc1 101682175 ATJSBGGRLULXLJ-UHFFFAOYSA-N 283.291 0.602 50 40 CCGB CC1=C[C@@H]([C@@H]2CC(=O)OC2=O)C[C@H]2C(=O)OC(=O)[C@H]12 100003634 DGQOZCNCJKEVOA-IBCQBUCCSA-N 264.233 0.358 50 40 CCGB CC(=O)NNC(=O)CCNC(=O)/C=C/c1ccccc1 23199008 QMTVRNBRIZVMIL-BQYQJAHWSA-N 275.308 0.373 50 40 CCGB CC(C)=NNC(=O)CNS(=O)(=O)c1ccccc1 3896759 ICYVDLZMOWRFFM-UHFFFAOYSA-N 269.326 0.477 50 40 CCGB COCCn1c(CCl)cnc1S(C)(=O)=O 47219303 SBNJLRWAZVXNSZ-UHFFFAOYSA-N 252.723 0.672 50 40 CCGB Cc1cc(-c2ncn([C@@H]3CCCCO3)n2)ncc1B(O)O 642882556 LRWJTNSMXXKZSN-LBPRGKRZSA-N 288.116 0.027 50 40 CCGB Cc1cccc(C(=O)NNc2nnc(C)c(O)n2)c1 11548131 TZAPVIIAVXCPPX-UHFFFAOYSA-N 259.269 0.951 50 40 CCGB CC1=C[C@@H]2[C@H]3C(=O)OC(=O)[C@H]3[C@H]1[C@H]1[C@H]3C(=O)OC(=O)[C@H]3[C@H]12 169683655 KLCJBGADIXBIIG-HUUPKSHHSA-N 288.255 0.070 50 40 CCGB NC(=O)C(=O)N/N=C1\C(O)=Nc2ccc(Cl)cc21 20791345 IXHLATHKYZEQNZ-UHFFFAOYSA-N 266.644 0.247 50 40 CCGB NNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 1908509087 CLQFPKLITPFLQV-NSHDSACASA-N 263.297 0.635 50 40 CCGB CC12CC3(C)CC(C(=O)NN)(C1)CC(C(=O)NN)(C2)C3 5445358 BHURDCUZTVXINH-UHFFFAOYSA-N 280.372 0.333 50 40 CCGB OB(O)c1cnc(Cl)nc1OCc1ccccc1 170025451 MLSBWOMQLKWUPG-UHFFFAOYSA-N 264.477 0.389 50 40 CCGB Cn1cc(N2CCC[C@@H](Br)C2=O)nn1 72221032 NKOAFNWXRHFOEB-ZCFIWIBFSA-N 259.107 0.705 50 40 CCGB CCNC(=O)[C@@H]1CCCN1C(=O)CBr 72207531 PYPRXVADFIOGFY-ZETCQYMHSA-N 263.135 0.508 50 40 CCGB CC(C)(C)OC(=O)N1CCc2oc(B(O)O)cc2C1 216533649 PZCCKQYAYWGBPL-UHFFFAOYSA-N 267.090 0.253 50 40 CCGB COc1ccc(CC(=O)NNC(=O)c2cc(C)no2)cc1 8729271 LXSNLPKPDFMSLN-UHFFFAOYSA-N 289.291 0.995 50 40 CCGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccoc1C 368627 STVUGTLHAPYSKY-NTUHNPAUSA-N 292.255 0.894 50 40 CCGB Nc1nonc1NC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3204879 GLYHBCPYBISRSL-LFYBBSHMSA-N 291.227 0.716 50 40 CCGB CCN1C(=O)C[C@@H](NNC(=O)c2ccccc2)C1=O 100996681 MSZZSVXOFKBDAJ-SNVBAGLBSA-N 261.281 0.068 50 40 CCGB Cc1cc(C)nc(NNC(=O)c2nccnc2N)n1 22235826 QBSOSOZCBNQFSX-UHFFFAOYSA-N 259.273 0.223 50 40 CCGB O=C(CCl)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 2363713 WCWHQZCCLNJYHW-ZJUUUORDSA-N 295.788 0.420 50 40 CCGB COc1ccc(CC(=O)NNC(=O)/C=C/C(=O)O)cc1 2759277 ZGHKMYYTKXNQNM-VOTSOKGWSA-N 278.264 0.026 50 40 CCGB Nc1nnnn1CC(=O)N/N=C\C=C\c1ccccc1 15979322 BIKOTJXHBOGACJ-UQAUATQKSA-N 271.284 0.071 50 40 CCGB CCOC(=O)[C@@H]1C=C(C#N)O[C@@H]2[C@@H]1C(=O)N(C)C(=O)N2C 4265229 FQMMAYXEHSLUPZ-WCABBAIRSA-N 293.279 0.069 50 40 CCGB CC(C)CC(=O)NNC(=O)CNC(=O)c1ccccc1 10160849 APDGVTLCMJPYBM-UHFFFAOYSA-N 277.324 0.610 50 40 CCGB NC(=O)N/N=C1/CC[C@@H]2C[C@@H]1CC/C2=N\NC(N)=O 101131806 BUGBBBRCRQAXGR-AIKYQABKSA-N 266.305 0.245 50 40 CCGB C[C@H]1C(=O)NN=C1C(=O)N/N=C\c1c[nH]c2ccccc12 100937885 FHDZBEQOFUSRKM-QWFSEIHXSA-N 283.291 0.740 50 40 CCGB O=C(N[C@@H]1CCS(=O)(=O)C1)OC[C@H](Cl)CCl 59568568 MSJOMUJVNVDTPQ-RNFRBKRXSA-N 290.168 0.746 50 40 CCGB C/C(=N/NC(=O)CNC(=O)c1cccnc1)c1ccco1 5024467 MFCOAAIWLLATTA-YVLHZVERSA-N 286.291 0.945 50 40 CCGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccccc1 6509544 PAAQEUOIIXRJRZ-ONGXEEELSA-N 292.339 0.531 50 40 CCGB Cc1cc(B(O)O)ccc1-c1ncn([C@H]2CCCCO2)n1 642882621 UWGUDILYLLMDSV-CYBMUJFWSA-N 287.128 0.632 50 40 CCGB OB(O)c1ccc(-c2ncn([C@@H]3CCCCO3)n2)cc1 642882590 PLYVHOMMGHGPMS-LBPRGKRZSA-N 273.101 0.324 50 40 CCGB O=C(C[n+]1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 2705245 GKBCVEKAWYXDHN-MHWRWJLKSA-O 284.295 0.823 50 40 CCGB NNC(=O)CNC(=O)c1cc(Cl)ccc1Cl 2451344 JISSKFCQXXMUMC-UHFFFAOYSA-N 262.096 0.713 50 40 CCGB C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@@H](C)O1 32642258 GFAPJJNVJKDJGZ-VXGBXAGGSA-N 291.351 0.557 50 40 CCGB O=C(NC[C@H]1CCCO1)C(=O)NN=C1CCCC1 59434336 WETFFRASYQVRON-SNVBAGLBSA-N 253.302 0.328 50 40 CCGB O=C1O[C@H](O)[C@H](Br)[C@@H]1Br 100762033 WVWMLQBHJMNOOB-LAMMAJBHSA-N 259.881 0.389 50 40 CCGB O=C(Cc1ccccc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 9486409 VYWMKGMBTQJGPV-GHMZBOCLSA-N 287.768 0.750 50 40 CCGB CCS(=O)(=O)NNC(=O)c1ccc(Cl)cc1 45929131 DYCGRHWYYLYDSQ-UHFFFAOYSA-N 262.718 0.924 50 40 CCGB N#CC1=C(O)NC(NN)=C(C#N)[C@H]1c1ccncc1 4956841 KFNZGPDXBHEDLM-SNVBAGLBSA-N 254.253 0.260 50 40 CCGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 13230339 SFQDVRXDAWALBL-IONNQARKSA-N 262.313 0.706 50 40 CCGB CS(=O)(=O)N1CCCc2cc(C(=O)NN)ccc21 223469680 YYFYOSQMXSJQPW-UHFFFAOYSA-N 269.326 0.002 50 40 CCGB CCOC(=O)C/C(N)=N/NC(=O)c1ccncc1 3116958 UAJPGKAHHLQTLD-UHFFFAOYSA-N 250.258 0.037 50 40 CCGB Cc1cccc(C(=O)NNC(=O)CCC(=O)O)c1 4178032 NUANOVSAWLFCHH-UHFFFAOYSA-N 250.254 0.621 50 40 CCGB NC(=O)N/N=C/Cc1ccccc1C/C=N/NC(N)=O 4828063 LEZMAPAYRLUERU-BGPOSVGRSA-N 276.300 0.080 50 40 CCGB C=CCNC(=O)NNC(=S)NC[C@H]1CCCO1 9189545 MHNFEEXGJPHAIN-MRVPVSSYSA-N 258.347 0.030 50 40 CCGB COCC(=O)NNC(=S)NCc1ccc(C)cc1 6788220 QQAJXLZQIYMMGR-UHFFFAOYSA-N 267.354 0.637 50 40 CCGB COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1C(=O)NN 45957674 ALXHFRMEEIOAEF-UHFFFAOYSA-N 296.283 0.044 50 40 CCGB COC(=O)[C@@H]1CCCN1C(=O)CBr 41671972 HRDFBVJXJFDTHU-LURJTMIESA-N 250.092 0.545 50 40 CCGB OB(O)c1cc(Br)nc(Cl)c1Cl 209842650 FSCZKKSDEKZYJT-UHFFFAOYSA-N 270.706 0.831 50 40 CCGB CCOC(=O)[C@@H]1C=C(C#N)O[C@@H]2[C@@H]1CCN2C(C)=O 4267668 KXQJYPJOYLRICX-IJLUTSLNSA-N 264.281 0.798 50 40 CCGB Cc1ccc(NC(=O)CCl)cc1S(N)(=O)=O 4205219 LSXMPIIBISISJS-UHFFFAOYSA-N 262.718 0.820 50 40 CCGB COc1cc(/C=N/NC(=O)c2nc[nH]n2)ccc1O 6627872 BCQFUPCUUJXOGD-WLRTZDKTSA-N 261.241 0.283 50 40 CCGB C/C(N)=C(\C#N)C(=O)CSc1nc(N)cc(N)n1 105824995 RAQYQZBYLWKCPU-WAYWQWQTSA-N 264.314 0.058 50 40 CCGB C[C@H](Cl)C(=O)NC[C@@H]1CC[C@@H](N2CCOCC2)NC1 256052407 NDYDLKVEXRCZGD-QJPTWQEYSA-N 289.807 0.388 50 40 CCGB Cc1ccc(NC(=O)NNC(=O)C(=O)NC(C)C)cc1 6934716 UREUAWZAIIAOHR-UHFFFAOYSA-N 278.312 0.672 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C/c1cccnc1 8219783 JAVYKHILMCIIPE-LZYBPNLTSA-N 272.264 0.441 50 40 CCGB O=C1CN(CCCl)CC(=O)N2Cc3ccccc3CN12 1579244 QWQJKHGWCZOAPU-UHFFFAOYSA-N 293.754 0.827 50 40 CCGB COc1ccc(/C=N/NC(=O)Nc2nonc2N)cc1 208972 DBKRZAZTQZYVIF-AWNIVKPZSA-N 276.256 0.816 50 40 CCGB O=C(NNC(=S)NC(=O)C1CC1)c1ccncc1 6886286 JVXJCNCZCQRJFY-UHFFFAOYSA-N 264.310 0.127 50 40 CCGB O=C(CCN1CCCC1)NNS(=O)(=O)c1ccccc1 18191654 QSZKUMVGTMRRIS-UHFFFAOYSA-N 297.380 0.482 50 40 CCGB CC(=O)c1cccc(NC(=O)NN(C)C(N)=O)c1 95455368 GDOYWJHTMXCYQQ-UHFFFAOYSA-N 250.258 0.936 50 40 CCGB CCOC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167610 WQRNCRNYZPKVPS-PHDIDXHHSA-N 257.764 0.302 50 40 CCGB CCOC(=O)N(/N=N/c1nonc1N)c1nonc1N 16682915 OJDGJIBQXNKWPE-XNTDXEJSSA-N 283.208 0.279 50 40 CCGB CCC(=O)NC(=S)NNC(=O)c1cccs1 6395992 BNFVOEBYALXETI-UHFFFAOYSA-N 257.340 0.794 50 40 CCGB NC(=O)NNC(=O)NCCCOc1ccccc1F 45259536 YIKOGBBZPOSART-UHFFFAOYSA-N 270.264 0.477 50 40 CCGB OB(O)c1ccc(-c2ncn([C@H]3CCCCO3)n2)cc1 642882589 PLYVHOMMGHGPMS-GFCCVEGCSA-N 273.101 0.324 50 40 CCGB Cc1[nH]nc2c1[C@@]1(CC[C@H]3CO[C@H]1O3)C(C#N)=C(N)O2 100225991 BMRWNUGNONREHY-WCDAPOTHSA-N 274.280 0.578 50 40 CCGB COc1ccc(/C=N/NC(=O)c2nnsc2N)cc1 4795851 RTTYYPIYDAPUHG-AWNIVKPZSA-N 277.309 0.893 50 40 CCGB NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 3471886 LOAYIWATYOWWHY-YIXHJXPBSA-N 260.080 0.929 50 40 CCGB CNC(=S)NNC(=O)[C@@H](C)Oc1ccc(OC)cc1 6524313 ABPQIMIXBFZHFF-MRVPVSSYSA-N 283.353 0.588 50 40 CCGB CCOC(=O)NNC(=O)Cc1ccc2c(c1)OCCO2 21770416 OSDRXBFYBMBNSJ-UHFFFAOYSA-N 280.280 0.778 50 40 CCGB CC(C)c1ccc(/C=N/NC(=O)[C@@H]2C=NNC2=O)cc1 100948932 RWCNZIRIWDJQBV-QNKXHIPISA-N 272.308 0.992 50 40 CCGB CC[C@@H]1NC(=O)NC(CBr)=C1C(=O)OC 4342567 HEDKQCDXQIMDBB-YFKPBYRVSA-N 277.118 0.900 50 40 CCGB COc1cc(/C=N\NC(=O)c2nc[nH]n2)ccc1O 35188422 BCQFUPCUUJXOGD-ACAGNQJTSA-N 261.241 0.283 50 40 CCGB CC(=O)OC1=C[C@@]2(OC(C)=O)CC[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104130679 POHOCVYIJHCYKB-PYUPQCDSSA-N 294.259 0.475 50 40 CCGB CCOC(=O)CCNC(=S)NNC(=O)c1ccncc1 2571052 UPSZGIQPJJBXER-UHFFFAOYSA-N 296.352 0.144 50 40 CCGB CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)C)cc1 21903855 JTNQUMPSIZYOTJ-UHFFFAOYSA-N 299.352 0.012 50 40 CCGB CCOC(=O)CS(=O)(=O)/C(C#N)=C1\CCCN1 98212000 PYLAUGHJCNYUSJ-CMDGGOBGSA-N 258.299 0.083 50 40 CCGB COc1cc(/C=N\NC(=O)c2cnccn2)ccc1O 54367820 NUBCWGBHAYLKBS-APSNUPSMSA-N 272.264 0.955 50 40 CCGB CC(=O)OC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)C(C)C 104209844 USACQMPRGKZFQG-GHMZBOCLSA-N 272.345 0.590 50 40 CCGB Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 29605102 BMCUKNZPTJIUQN-JTQLQIEISA-N 289.339 0.547 50 40 CCGB CCOC(=O)c1c(C)[nH]c(/C=N/NC(N)=O)c1C 1653052 VVMLLAJGEIUXRR-WLRTZDKTSA-N 252.274 0.810 50 40 CCGB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NN 3068404 YWHCCWKSNJVCGZ-SNVBAGLBSA-N 280.284 0.339 50 40 CCGB CC(=O)N/N=C/c1cn(CC(N)=O)c2ccccc12 107884778 BSOCOXPXBHGVLP-GIDUJCDVSA-N 258.281 0.597 50 40 CCGB CCOC(=O)c1c(NC(=O)C(=O)NN)sc(C)c1C 3407329 YHKWIAWYZPCADG-UHFFFAOYSA-N 285.325 0.470 50 40 CCGB Cc1ccccc1C(=O)NNC(=O)C(=O)N1CCCCC1 4852605 WYCONFASRUBYCC-UHFFFAOYSA-N 289.335 0.769 50 40 CCGB CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 69296492 MNPRRSAJYZBHLF-LBPRGKRZSA-N 277.324 0.693 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1847162 UCRNAEPRNWUEBR-MDWZMJQESA-O 265.293 0.751 50 40 CCGB NNC(=O)Cc1nc(-c2cncc(Br)c2)n[nH]1 26463144 MWRDKCDMQFUSBU-UHFFFAOYSA-N 297.116 0.162 50 40 CCGB NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 4206062 VWAIJGGHQGXZQP-UHFFFAOYSA-N 280.305 0.857 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(O)c1 408971820 LXQDMMQSAJIWDX-PFMRQGHBSA-N 263.297 0.757 50 40 CCGB C[C@H](NC(=O)CCl)c1ccc(S(N)(=O)=O)cc1 12504868 GOWUFDVJHORVNU-ZETCQYMHSA-N 276.745 0.750 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1ccccc1F 59459634 NTWQSBRHJZRXES-LICLKQGHSA-N 295.314 0.819 50 40 CCGB CN(CCO)c1ccc(/C=N/NC(=O)C2CC2)cc1 15354277 LZJRSMGGUWQMLJ-XNTDXEJSSA-N 261.325 0.975 50 40 CCGB NC(=O)N/N=C/c1ccc(SCCO)c([N+](=O)[O-])c1 6224380 WKHMESKRGFSEEL-WUXMJOGZSA-N 284.297 0.681 50 40 CCGB NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3186062 XMPZDEDUKZSOHQ-UHFFFAOYSA-N 283.353 0.465 50 40 CCGB COc1ccc(CC(=O)NNC(=O)CCCC(=O)O)cc1 2758948 YEGPSPAEQUPYNW-UHFFFAOYSA-N 294.307 0.640 50 40 CCGB O=C1OC(=O)[C@H](Br)C[C@H]1Br 100210975 SHGKMZHCBCNDKW-PWNYCUMCSA-N 271.892 0.987 50 40 CCGB CC(C)(C)OC(=O)C(=O)OC(=O)N1CCC[C@H](N)CC1 675082237 LQPXIMKGTJFFJH-VIFPVBQESA-N 286.328 0.805 50 40 CCGB C[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)NN)C1=O 19988061 SGMAZGUTWRBKKZ-LURJTMIESA-N 269.688 0.444 50 40 CCGB CCCCCC[C@@]1(/C=N/NC(N)=O)NC(=O)N(C)C1=O 1692327 QYUOODMTECMWFJ-ACLQVGRQSA-N 283.332 0.531 50 40 CCGB CCOC(=O)C(=O)NNc1ccsc1C(=O)OC 2141776 MEBSSHKNEBBERB-UHFFFAOYSA-N 272.282 0.541 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)CC2(C)OCCO2)o1 381195 TXKDKDCFBCPUKR-NTEUORMPSA-N 281.312 0.949 50 40 CCGB Nc1nonc1NC(=O)N/N=C/c1ccccc1F 240917 WEWFYPALYWMJBZ-WLRTZDKTSA-N 264.220 0.947 50 40 CCGB COc1ccc(CC(=O)NNC(=O)c2cnccn2)cc1 547183 UEABDZQLALJTGR-UHFFFAOYSA-N 286.291 0.489 50 40 CCGB COc1ccc(C(=O)NN)cc1S(=O)(=O)N1CCCC1 8476110 CLIYCXQBOIKQIV-UHFFFAOYSA-N 299.352 0.083 50 40 CCGB N#C/C(N)=C(C#N)/N=C/c1ccc(OCC(=O)O)cc1 100942669 YVNRTMSCNOYYLL-GVRDEGQUSA-N 270.248 0.786 50 40 CCGB C/C(=N\NC(=O)C(N)=O)c1ccc(-n2ccnc2)cc1 6210835 IZRQQICFHVLMQE-CXUHLZMHSA-N 271.280 0.198 50 40 CCGB COc1ccc(C(=O)NNC(=O)c2cccnc2O)cc1 16511625 XMWZDLYWJUPDDB-UHFFFAOYSA-N 287.275 0.871 50 40 CCGB CCCOc1ccc(NC(=O)COCC(=O)NN)cc1 199406478 RDZPPZAJTKVVAA-UHFFFAOYSA-N 281.312 0.420 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccccn1 5605165 XKLDZLPZTDFCIT-LZYBPNLTSA-N 272.264 0.441 50 40 CCGB CN(C)NC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100834799 BSQCBMNZERMVKI-STQMWFEESA-N 252.314 0.544 50 40 CCGB C[C@@]12CCCC=C1NC(=O)[C@]21C(=O)NC(N)=C1C#N 100257597 NJCVMGHUMAVNLC-CHWSQXEVSA-N 258.281 0.000 50 40 CCGB N#CC1(C#N)CC(C=O)=C(N)[C@]1(C#N)[C@@H]1CCCC1=O 4816319 HRXSQHMZLMOHHZ-YGRLFVJLSA-N 268.276 0.715 50 40 CCGB Cc1c(Cl)c(C(=O)NNC(=S)NC2CC2)nn1C 2782485 MQUOVJGKHYCXHH-UHFFFAOYSA-N 287.776 0.653 50 40 CCGB O=C1c2nccnc2[C@@H](O)N1[C@H]1CC[C@H](Cl)CN1 37261755 YJNRRXJWAKNWEG-MHYGZLNHSA-N 268.704 0.240 50 40 CCGB COc1ccc(C(=O)NNC(=O)C[C@@H](C)CC(=O)O)cc1 26807921 JNDPNAQAKPTOGY-SECBINFHSA-N 294.307 0.957 50 40 CCGB COCCCNC(=O)CC(=O)N/N=C/c1ccco1 59459719 XFWFXYJSAJDIOD-NTEUORMPSA-N 267.285 0.273 50 40 CCGB NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22124583 WMADIYYOXXAAEY-UHFFFAOYSA-N 266.257 0.035 50 40 CCGB NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 22124571 XXTGLGNFUCTUAP-UHFFFAOYSA-N 250.258 0.799 50 40 CCGB Cc1nn(-c2ccc(Br)cc2)nc1C(=O)NN 216771759 LLTNHFVDERGSQT-UHFFFAOYSA-N 296.128 0.942 50 40 CCGB CC(C)COCCCNC(=O)NNC(=O)c1cnccn1 26264953 HNKMSXLBYAGTIP-UHFFFAOYSA-N 295.343 0.483 50 40 CCGB COc1ccc(Cl)cc1NC(=O)NNC(=S)NN 3086222 MFZGUQQIIBNGTC-UHFFFAOYSA-N 289.748 0.723 50 40 CCGB CCCCn1nnc(N2C[C@@H](C(=O)Cl)CC2=O)n1 45888007 KSPBDRGJKSBJPK-ZETCQYMHSA-N 271.708 0.592 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C/c1ccc2c(c1)OCO2 1847281 BLPWKDIUWCLZPN-VGOFMYFVSA-O 264.305 0.572 50 40 CCGB COc1cc(/C=N/NC(N)=O)ccc1OCCO 2101237 NZUDVPIEEVUBJW-NTUHNPAUSA-N 253.258 0.069 50 40 CCGB CCCS(=O)(=O)NNC(=O)c1ccc(O)cc1 45929213 VERVIAGTZPXCBT-UHFFFAOYSA-N 258.299 0.366 50 40 CCGB O=C(Cc1ccc(F)cc1)NNc1ccc2nncn2n1 81791 FONMPNWAYMAJNT-UHFFFAOYSA-N 286.270 0.949 50 40 CCGB O=C(/N=C/[C@H]1CCCO1)C(=O)NNCc1ccc(F)cc1 408718144 MHOXTFMSNKBQGY-GFQQVXNGSA-N 293.298 0.723 50 40 CCGB O=C(CCl)N(c1ccccn1)[C@@H]1CCS(=O)(=O)C1 40177560 APVMLLJPNARLBC-SECBINFHSA-N 288.756 0.841 50 40 CCGB N#C/C(=C/NC(=O)NC1CCCCC1)C(=O)NN 17161933 PNHYSGHHUBZDPC-FPLPWBNLSA-N 251.290 0.016 50 40 CCGB CCNC(=S)NNC(=O)c1ccc2c(c1)OCO2 2103426 QUYUPLCPBBGELT-UHFFFAOYSA-N 267.310 0.544 50 40 CCGB O=C1OC(=O)[C@@H](Br)C[C@@H]1Br 100210981 SHGKMZHCBCNDKW-HRFVKAFMSA-N 271.892 0.987 50 40 CCGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(N)=O 100944405 LVKHEUBFFBVDAT-FBWGLTFQSA-N 259.269 0.679 50 40 CCGB COc1cccc(/C=N/NC(N)=O)c1O[C@H](C)C(=O)O 409244457 CYZZFUSMJZUKDO-IOCLVDNSSA-N 281.268 0.549 50 40 CCGB Cn1/c(=N\NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])sc2ccccc21 103314642 OJLCJUQOQZKPJI-DUEATNHGSA-N 292.320 0.837 50 40 CCGB CC(=O)O[C@H]1[C@@H]2C(=O)OC(=O)[C@@H]2[C@@H]2CCC[C@]23O[C@H]13 104275356 WZSJQZZTACNZPV-PCFXWBDXSA-N 266.249 0.185 50 40 CCGB CCCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 9575341 UXDZSWGSDWXXLZ-SFYZADRCSA-N 253.751 0.697 50 40 CCGB COc1ccccc1C(=O)NNC(=O)C(=O)NC(C)(C)C 3664240 JJZJKRKXZBCIBX-UHFFFAOYSA-N 293.323 0.371 50 40 CCGB CC(C)(CCl)C(=O)ON1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 575318921 RLUGIZGNCMVOBE-FNCVBFRFSA-N 299.710 0.648 50 40 CCGB Cc1n[nH]c(=O)c(CNC(=O)CBr)c1C 96511385 BNSSZEHWSFMBIZ-UHFFFAOYSA-N 274.118 0.398 50 40 CCGB NC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5390757 DEMAGNHHPCVNPU-RIYZIHGNSA-N 293.283 0.434 50 40 CCGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)NN 1461834 MQZUCSVCQNECPR-NSHDSACASA-N 279.296 0.160 50 40 CCGB C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@@H](O)[C@@H]12 585660614 CVISOHZWXIVDFN-MGPQQGTHSA-N 278.304 0.673 50 40 CCGB biogenic,in-vitro CCN1/C(=N/C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 13689903 UJZJLABPBMJZKV-ASUSWUQDSA-N 296.801 0.342 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(O)c1 7813150 RJODVOZYZMGGFT-OVCLIPMQSA-N 263.297 0.615 50 40 CCGB NC(=O)C(=O)NN=C1CCN(C2CCCCC2)CC1 63355914 XBZIEYRDXPJCAE-UHFFFAOYSA-N 266.345 0.372 50 40 CCGB CCS(=O)(=O)[C@@H](I)C#N 96522092 AAEAWUDOYJFHOH-SCSAIBSYSA-N 259.068 0.706 50 40 CCGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccc1O 5338229 IAZJOXHADZINRI-VCHYOVAHSA-N 298.302 0.554 50 40 CCGB CCCOc1ccc(CC(=O)NNC(N)=S)cc1 20134104 GHGTXKPXLYGRGI-UHFFFAOYSA-N 267.354 0.882 50 40 CCGB NC(=O)C1(N2CCCCC2)CCN(C(=O)CCl)CC1 543997 WMOACOKTQUHCBH-UHFFFAOYSA-N 287.791 0.558 50 40 CCGB NNC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 360284 VXKGXNBACXEDLU-UHFFFAOYSA-N 278.333 0.994 50 40 CCGB aggregator CC(C)(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9051586 JRPTULCIYCYGOR-JGVFFNPUSA-N 267.778 0.943 50 40 CCGB COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1 7784651 JBOCBNLUCDREAN-RIYZIHGNSA-N 261.281 0.424 50 40 CCGB Cc1ccc(C(=O)NNC(=O)c2cccc[n+]2[O-])c(O)c1 71819959 PGNVDYHPACGLJD-UHFFFAOYSA-N 287.275 0.409 50 40 CCGB NNC(=O)CSc1cc(N)nc(-c2ccc(F)cc2)n1 223463429 AOFVIJNSTDUBFP-UHFFFAOYSA-N 293.327 0.947 50 40 CCGB CO[Si](CCCN=C(N(C)C)N(C)C)(OC)OC 169808760 ZUEIRGBMFHHKAC-UHFFFAOYSA-N 277.441 0.734 50 40 CCGB CCOC(=O)C/C(=N/NC(=O)CC#N)C(F)(F)F 4060621 YNLXOGBEIQKEGG-NSIKDUERSA-N 265.191 0.888 50 40 CCGB CCN1C[C@@H](c2cc(=O)[nH]c(CCl)n2)CC1=O 96528995 ZKCFXUJGCZYMLD-ZETCQYMHSA-N 255.705 0.845 50 40 CCGB O=C(O)CCC(=O)NNC(=O)Nc1ccccc1 3158972 NTVPXLJBNLGLSN-UHFFFAOYSA-N 251.242 0.704 50 40 CCGB COc1ccc(NC(=S)NNC(=O)CC#N)cc1 3185704 RYYGKPVRONSUJP-UHFFFAOYSA-N 264.310 0.926 50 40 CCGB O=C(NNC(=O)c1cnn2cccnc12)c1ccccc1 44007642 HKRASHZDKQWTLA-UHFFFAOYSA-N 281.275 0.804 50 40 CCGB Cc1cc(C)c2c(=O)ccn(CCC(=O)NN)c2c1 64873656 WEHWMTVRIYLSPB-UHFFFAOYSA-N 259.309 0.998 50 40 CCGB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccco1 4716663 FNOKYVIJDFZZHR-RNFRBKRXSA-N 263.702 0.414 50 40 CCGB CCOC(=O)/C(C#N)=C/NNc1nc(C)cc(C)n1 7697137 OFWKONAFUIGFHM-JXMROGBWSA-N 261.285 0.981 50 40 CCGB CC(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1 8984631 MXAOZGSTJCICRF-UHFFFAOYSA-N 274.280 0.023 50 40 CCGB C[C@]1(c2ccccc2)C[C@H]1C(=O)NNC(=O)/C=C\C(=O)O 17111215 XNOVRFRGUGRHII-AANTUONFSA-N 288.303 0.752 50 40 CCGB CNC(=S)/C(C#N)=C(\N)N1CCC(C(=O)OC)CC1 100915324 AAWTWERBKDODHW-MDZDMXLPSA-N 282.369 0.112 50 40 CCGB CNC(=S)NNC(=O)COc1ccc(C)cc1 6788468 JIQAENVTJYCNJV-UHFFFAOYSA-N 253.327 0.499 50 40 CCGB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)cc1 3313188 PNRINHNJRRGYLP-NSHDSACASA-N 297.380 0.386 50 40 CCGB O=C(CCl)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 4206917 KGDLPWHPLVKFJG-MRVPVSSYSA-N 251.735 0.403 50 40 CCGB CCOC(=O)NNC(=O)CCc1c(C)nn(C)c1C 65565399 YUOPOFKJELOHDO-UHFFFAOYSA-N 268.317 0.747 50 40 CCGB CC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccccc21 223719149 PXDGKRSDIHWOPE-QINSGFPZSA-N 275.333 0.989 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1 5511594 DTAYKOBHTDGZGS-MHWRWJLKSA-N 293.323 0.298 50 40 CCGB O=C(NC[C@@H]1CCCO1)C(=O)NN=C1CCCCC1 59434338 CYPCXVYMMJLCGN-NSHDSACASA-N 267.329 0.718 50 40 CCGB CCOC(=O)NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 45885668 NZIMMQOIDKANFK-VIFPVBQESA-N 271.317 0.268 50 40 CCGB O=C(NNC(=S)NC[C@H]1CCCO1)C1CCCC1 6644816 YPQLHKPUSXLNCL-SNVBAGLBSA-N 271.386 0.851 50 40 CCGB O=C(N/N=C/C=C/c1ccccc1)c1c[nH]c(=O)[nH]c1=O 32200363 RZMVCIPHLWKXTD-LHQXNBGVSA-N 284.275 0.492 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 5380498 DKCNKUYZSIJODB-FRKPEAEDSA-N 291.307 0.638 50 40 CCGB CC(C)CCNC(=S)NNC(=O)[C@@H]1CCCO1 7983935 CINZADTVJXPTGY-VIFPVBQESA-N 259.375 0.707 50 40 CCGB Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)NN)(C4)C2)C3)n1 100772150 CCNAXTVWIKMWOQ-WPMGSTCASA-N 276.344 0.267 50 40 CCGB O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCCO1 32262803 UFUUNBBRWFJKGW-NSHDSACASA-N 266.272 0.695 50 40 CCGB CC(C)(SSC(C)(C)[C@H](N)C(=O)O)[C@@H](N)C(=O)O 1562118 POYPKGFSZHXASD-OLQVQODUSA-N 296.414 0.749 50 40 CCGB C=CCNC(=O)NNC(=S)NC[C@@H]1CCCO1 9189544 MHNFEEXGJPHAIN-QMMMGPOBSA-N 258.347 0.030 50 40 CCGB COc1ccc([C@@H](Cl)[C@@H](C)N)cc1S(N)(=O)=O 22054686 SWULSHNLZCHBKQ-LDWIPMOCSA-N 278.761 0.970 50 40 CCGB in-vitro NNC(=O)c1cc[n+](CC(=O)NC2CCCCC2)cc1 226823027 ZBMYNFDRFFOYHC-UHFFFAOYSA-O 277.348 0.027 50 40 CCGB CC(=O)NNC(=O)c1nn(-c2ccc(C)cc2)ccc1=O 98212049 ATSVATSUYMGIEW-UHFFFAOYSA-N 286.291 0.322 50 40 CCGB Cc1cc(C(=O)NNC(=O)c2ccc[nH]c2=O)c(C)o1 21876103 CPWNLTCRXIMZFM-UHFFFAOYSA-N 275.264 0.660 50 40 CCGB CC(=O)OCC1=C[C@@H]2[C@@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)OC(=O)[C@H]31 101043777 HEPGNZNJPRYADJ-ASHHDVGLSA-N 274.272 0.854 50 40 CCGB CCC(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 2064461 SXVIGPSCIWVFQT-UHFFFAOYSA-N 296.308 0.640 50 40 CCGB Cc1ccn(CCC(=O)NNC(=S)NC2CC2)n1 2787960 NBEMFZDGWRGLTM-UHFFFAOYSA-N 267.358 0.239 50 40 CCGB CCNC(=S)NNC(=O)CNC(=O)c1cccc(C)c1 6326191 ICWIDZLEPURSHK-UHFFFAOYSA-N 294.380 0.240 50 40 CCGB COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1OC 3663615 JFDVHHXCLTXKII-OVCLIPMQSA-N 291.307 0.433 50 40 CCGB CCNC(=S)NNC(=O)c1cc(C(F)(F)F)nn1C 2735341 IITZRNDGOZARDL-UHFFFAOYSA-N 295.290 0.568 50 40 CCGB O=C(CO)OC[C@@H](Br)C(F)(F)F 1083809753 CVMJYQBHIWQXRG-GSVOUGTGSA-N 250.998 0.848 50 40 CCGB COc1cccc(C(=O)NNC(=O)[C@H]2C[C@H]2C)c1O 48919294 OBQFJOYURARKQO-APPZFPTMSA-N 264.281 0.818 50 40 CCGB COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1 3088498 IKZGUMHNMQAJEC-CXUHLZMHSA-N 277.324 0.918 50 40 CCGB Cc1cc2c(c(=O)o1)C(C#N)(C#N)C(C#N)=C(N)O2 2575405 VCVXJMYZCKUMCN-UHFFFAOYSA-N 254.205 0.319 50 40 CCGB COc1cc(C(=O)N/N=C/N(C)C)cc(OC)c1OC 13150200 RDRGQOBWJJLXBW-RIYZIHGNSA-N 281.312 0.947 50 40 CCGB C[C@H](C(=O)NN)n1c(-c2nonc2N)nc2ccccc21 408974690 GSYRQFXEJICEPK-ZCFIWIBFSA-N 287.283 0.219 50 40 CCGB Cc1nonc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 3037661 SQZGLSTZYKHIEK-ONNFQVAWSA-N 265.185 0.643 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1 10109424 GFOGKEOEWMNOSY-UHFFFAOYSA-N 278.280 0.930 50 40 CCGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 21875067 FBXDKFBVELEJCB-VXNVDRBHSA-N 262.265 0.832 50 40 CCGB COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NN 164842 GPZFXFZMQUFHDG-UHFFFAOYSA-N 287.297 0.694 50 40 CCGB CCCS(=O)(=O)[C@@H](C)C(=O)NNC(=O)OC(C)(C)C 95369473 FWJICRVDZJOSJK-QMMMGPOBSA-N 294.373 0.756 50 40 CCGB C[C@H](Cl)C(=O)N1CCN(c2ncccn2)CC1 19507831 GVEMJAWJIRQBSJ-VIFPVBQESA-N 254.721 0.753 50 40 CCGB in-vitro COc1ccc([C@H]2C(C#N)=C(N)Nc3ncnn32)cc1 4511203 ADDLRXOXJHYRPU-NSHDSACASA-N 268.280 0.995 50 40 CCGB NC(=S)N/N=C1/C(=O)N(CCCl)c2ccccc21 100691154 SIUYEAIHJOLSGZ-NTEUORMPSA-N 282.756 0.809 50 40 CCGB CO[C@H]1[C@@H](O)C[C@@H](C(=O)OCCl)[C@H]2CC[C@@H](O)C[C@H]21 6380320 WQYCZHGVAMMJAK-IXXAWXHISA-N 292.759 0.899 50 40 CCGB NNC(=O)COc1ccc([N+](=O)[O-])cc1Br 27835035 RRLUNBVCJJTAPZ-UHFFFAOYSA-N 290.073 0.726 50 40 CCGB C[C@@H]1C(=O)NN=C1C(=O)N/N=C\c1c[nH]c2ccccc12 100937888 FHDZBEQOFUSRKM-RBYRDDOMSA-N 283.291 0.740 50 40 CCGB N#CC1=C(N)Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 13123080 YGVMJHWJMFHNKI-SNVBAGLBSA-N 283.251 0.895 50 40 CCGB C=CCNC(=S)NNC(=O)Cc1cn2ccsc2n1 12523766 IUJGCBJVDDYRHE-UHFFFAOYSA-N 295.393 0.620 50 40 CCGB NC(=O)N/N=C/c1ccc(I)o1 408999637 XBFKEVWKBOUEAY-YCRREMRBSA-N 279.037 0.886 50 40 CCGB Cn1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)n1 31039 LVOFQZLJYMWZPA-NTUHNPAUSA-N 289.251 0.798 50 40 CCGB CN(C)c1nc(N(C)C)nc(N2C[C@H](CCl)OC2=N)n1 3900175 PAVUDQKUDGDKGP-ZETCQYMHSA-N 299.766 0.382 50 40 CCGB CC[C@H](C)NS(=O)(=O)c1cccc(C(=O)NN)c1 225499339 FNZSYCPWBGTSIQ-QMMMGPOBSA-N 271.342 0.367 50 40 CCGB CN1C(=O)C[C@H](NNC(=O)c2ccc(Cl)cc2)C1=O 97951962 KSMUNFSMIRURSB-VIFPVBQESA-N 281.699 0.332 50 40 CCGB O=S1(=O)C[C@@H]2Sc3nncn3[C@@H]2[C@H]1Br 5258258 JPNIRFRMIOBGTE-YUPRTTJUSA-N 296.171 0.443 50 40 CCGB Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1 16292013 NLXLFEOQUPMUHP-UHFFFAOYSA-N 275.308 0.378 50 40 CCGB N[C@H](CSS(=O)(=O)c1ccccc1)C(=O)O 1639110 YKYWKTOUPAICGF-MRVPVSSYSA-N 261.324 0.520 50 40 CCGB CC1(CC(=O)N/N=C/c2cccc(O)c2)OCCO1 408919209 UVOHHYVVWNPEEU-NTEUORMPSA-N 264.281 0.995 50 40 CCGB O=S1(=O)CCC(I)CC1 75772117 IOXKSWHPUFIKCI-UHFFFAOYSA-N 260.096 0.999 50 40 CCGB O=C(NNC(=O)c1cccnc1O)c1ccccc1 17171289 LDKATGXIIPSZHF-UHFFFAOYSA-N 257.249 0.862 50 40 CCGB NNC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 1943935 KSWGUWKSEQCXCC-UHFFFAOYSA-N 299.330 0.985 50 40 CCGB CCC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 2064442 HVSCIIFYCUNWFB-UHFFFAOYSA-N 296.308 0.640 50 40 CCGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 4703115 JWSWKSVORWSYCA-OVCLIPMQSA-N 291.307 0.448 50 40 CCGB O=C(NCCNC(=O)C(Cl)Cl)c1cnccn1 7871692 XETBGOWYEDJLNT-UHFFFAOYSA-N 277.111 0.126 50 40 CCGB O=C(CN1CCOCC1)N/N=C/c1ccc(C(=O)O)cc1 187072 ABZOHHUQMWCWCD-OQLLNIDSSA-N 291.307 0.167 50 40 CCGB O=C(NNS(=O)(=O)c1ccccc1)c1ccco1 260227 WBUUGHFYAQVHLM-UHFFFAOYSA-N 266.278 0.903 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 3085289 VKLZODBONSHHSS-CXUHLZMHSA-N 291.307 0.450 50 40 CCGB CCn1c(N)c(C(=O)CCl)c(=O)n(CC)c1=O 72415072 OOHPDTRZTFPUDS-UHFFFAOYSA-N 259.693 0.054 50 40 CCGB N#C/C(C(N)=O)=C1/C(=O)Nc2cc3c(cc21)OCCO3 101686698 MXVRTQWPDYBIIT-XFFZJAGNSA-N 271.232 0.172 50 40 CCGB C[C@@H](Cl)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 37831176 ZTXXPFATZNDPPL-SFYZADRCSA-N 268.766 0.154 50 40 CCGB CC(C)CO[C@@H](C)C(=O)NNC(=O)c1ccccn1 49136688 SOFXKJWDNCLHMC-JTQLQIEISA-N 265.313 0.904 50 40 CCGB CCOC(CNC(=O)CBr)OCC 42750774 BVNCVSIPLWGTMH-UHFFFAOYSA-N 254.124 0.897 50 40 CCGB O=C(NC[C@@H](O)CCl)c1ccc([N+](=O)[O-])cc1 1610470 HGNMMEVZKKNYKI-VIFPVBQESA-N 258.661 0.924 50 40 CCGB Cc1cccc(/C=N/NC(=O)[C@H]2CCCNC2=O)c1 376720 YTDQXQYFHJQCKM-RGZVIEDOSA-N 259.309 0.971 50 40 CCGB O=C(CCl)N1CCN(Cc2cccnc2)CC1 37498036 GLBIMGNVQCKONA-UHFFFAOYSA-N 253.733 0.965 50 40 CCGB N#CCCN(CCC#N)c1ccc(C(=O)NN)cc1 1628899 FDMRJJZVAWYADN-UHFFFAOYSA-N 257.297 0.924 50 40 CCGB O[C@H](CCl)COCC#CC#CCOC[C@H](O)CCl 3040316 NYSTVRRHVZDFSN-VXGBXAGGSA-N 295.162 0.226 50 40 CCGB NNC(=O)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 57352131 NPYZGEYXLFZHKX-UHFFFAOYSA-N 289.230 0.060 50 40 CCGB O=C(CNC(=O)c1ccccc1O)N/N=C/c1cccnc1 2268295 PSRCUXJXTBTNHB-GIJQJNRQSA-N 298.302 0.667 50 40 CCGB COc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)c1O 48919295 OBQFJOYURARKQO-CBAPKCEASA-N 264.281 0.818 50 40 CCGB O=C(O)CN1CC[C@@H](I)C1 79390375 IKIQRRMDYHKIMG-RXMQYKEDSA-N 255.055 0.580 50 40 CCGB CCOc1ccc(/C=N/NC(=O)Cn2cncn2)cc1 3196478 VFSBNMWDEBZIEU-VIZOYTHASA-N 273.296 0.827 50 40 CCGB CC[C@]1(C)S(=O)(=O)C[C@@H](CCl)S1(=O)=O 4723135 CJYZXZOSIGSEAG-RNFRBKRXSA-N 260.764 0.563 50 40 CCGB CN(C)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1 95116896 ZGUKCLPXNRICAR-UHFFFAOYSA-N 289.332 0.087 50 40 CCGB CC(C)C(=O)NCCNC(=O)NNC(=O)c1cccs1 26248709 WCQUXJGMEJJNSA-UHFFFAOYSA-N 298.368 0.464 50 40 CCGB NC(=S)NNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 87465755 XFOZCPDBBIYSLL-UHFFFAOYSA-N 276.224 0.351 50 40 CCGB CCOc1ccccc1CC(=O)NNC(N)=S 20134122 JJYPVZBGANKSEO-UHFFFAOYSA-N 253.327 0.492 50 40 CCGB Cc1ccccc1C(=O)NNC(=O)C(=O)N1CCCC1 4852623 YANGEKIJIBXIEO-UHFFFAOYSA-N 275.308 0.378 50 40 CCGB O=C(O)/C=C\C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101019103 OSXNABYHYIAJRI-ARJAWSKDSA-N 296.195 0.587 50 40 CCGB CC(C)(C)c1ccc(S(=O)(=O)CC(=O)NN)cc1 2562085 XSZVIOUTNQOLLW-UHFFFAOYSA-N 270.354 0.748 50 40 CCGB O=C1CCC(C(=O)NNC(=O)c2cccc(Cl)c2)=NN1 5831848 CPZFKLURGWNKOZ-UHFFFAOYSA-N 294.698 0.367 50 40 CCGB O=S(=O)(O)SC/C=C/CSS(=O)(=O)O 5500569 XDGHLICKMMGNKZ-OWOJBTEDSA-N 280.370 0.615 50 40 CCGB Cc1nnc(NNC(=O)Cc2ccccc2Cl)[nH]c1=O 22239379 CDPQXHXZYYUEBL-UHFFFAOYSA-N 293.714 0.813 50 40 CCGB Cc1occc1C(=O)NNC(=O)c1ccc[nH]c1=O 21869443 HHDKINFFBCUQPK-UHFFFAOYSA-N 261.237 0.351 50 40 CCGB COc1cc(/C=N\NC(=O)C[C@@H](C)O)ccc1O 104087176 BSSRACQDSKDDJJ-CWWTZMIASA-N 252.270 0.622 50 40 CCGB COc1ccc(/C=N/NC(=O)c2nonc2N)cc1OC 4834251 YHEPTPWHVHVFME-MKMNVTDBSA-N 291.267 0.433 50 40 CCGB CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C)[C@H]2C1 20000805 MCYBHRADOGIMPJ-TVQRCGJNSA-N 281.319 0.811 50 40 CCGB CC(C)(C)NC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167814 RHVJMCXQYHJVOB-RNFRBKRXSA-N 284.834 0.653 50 40 CCGB COc1ccc(OCC(=O)NNC(=O)[C@H]2CCCO2)cc1 260236 KLYRVBVVYOEWKQ-GFCCVEGCSA-N 294.307 0.400 50 40 CCGB O=C(N[C@H]1CCS(=O)(=O)C1)OC[C@@H](Cl)CCl 59568571 MSJOMUJVNVDTPQ-BQBZGAKWSA-N 290.168 0.746 50 40 CCGB COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OC 5380946 CJQBMJPBFRPZTB-OVCLIPMQSA-N 293.323 0.679 50 40 CCGB Cn1/c(=N\NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])sc2ccccc21 103314646 OJLCJUQOQZKPJI-QUPQXSNVSA-N 292.320 0.837 50 40 CCGB CC(C)CNC(=O)C(=O)NNC(=O)C1CCCCC1 4996252 IYRWIBQASZXOSM-UHFFFAOYSA-N 269.345 0.486 50 40 CCGB CC(=O)OC1=C[C@@]2(OC(C)=O)C[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104130708 MGEWFWRXHZVKCP-HMMKDHSLSA-N 280.232 0.085 50 40 CCGB COCCNC(=O)/C(C#N)=C/c1ccc(O)c([N+](=O)[O-])c1 36386256 WQCFFIZIRZDJBL-UXBLZVDNSA-N 291.263 0.970 50 40 CCGB C[Si]1(C)OCCOCCOCCOCCOCCO1 195763152 VYPNMUSYTNBGQH-UHFFFAOYSA-N 294.420 0.801 50 40 CCGB COc1cc(/C=N\NC(N)=O)cc(OC)c1OC 33399530 GBKQSFGIFPFHEB-MLPAPPSSSA-N 253.258 0.715 50 40 CCGB C=CCNC(=S)NNC(=O)c1ccc(O)cc1 2144267 XXPQBVNGNZFNNN-UHFFFAOYSA-N 251.311 0.687 50 40 CCGB COC1=C(OC)[C@H]([C@@H](O)CBr)OC1=O 3843053 SANNCPWAMQKBSD-WHFBIAKZSA-N 267.075 0.172 50 40 CCGB Cc1ncc([N+](=O)[O-])n1CC(=O)NN=C1CCN(C)CC1 66345785 JJXJACORJJIBFN-UHFFFAOYSA-N 294.315 0.298 50 40 CCGB Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-] 17256327 NPHUPEWXMZXMNA-UHFFFAOYSA-N 290.235 0.845 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 3057512 FITXPQWHJVCGPX-CXUHLZMHSA-N 291.307 0.456 50 40 CCGB O=C1O[C@H](O)[C@H](Br)[C@H]1Br 100762038 WVWMLQBHJMNOOB-RBVZJJKUSA-N 259.881 0.389 50 40 CCGB CN(C)c1nc(N(C)C)nc(S(=O)(=O)CCCl)n1 1425180 PIMCUYYVBNRYPZ-UHFFFAOYSA-N 293.780 0.016 50 40 CCGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccc1 59459490 KOPIFHCTJSLIEO-WOJGMQOQSA-N 282.303 0.848 50 40 CCGB CCOC(=O)/C(C#N)=C/C=C1\C=CN=C2NCCN21 1633009 KYCCQEPHQYGGBL-HULALXFYSA-N 258.281 0.672 50 40 CCGB Cc1nonc1C(=O)N/N=C/c1ccc(O)cc1O 218494 GMIDDARPXCZOLE-LFYBBSHMSA-N 262.225 0.553 50 40 CCGB COc1cc([N+](=O)[O-])c(OC)cc1/C=N/NC(=O)CC#N 5526580 ZZIZZPOMEXKRRX-VGOFMYFVSA-N 292.251 0.976 50 40 CCGB N#C/C(=C/c1cccc([N+](=O)[O-])c1O)C(=O)NC(N)=O 409254395 XBOIYERSNGTXTM-DAXSKMNVSA-N 276.208 0.402 50 40 CCGB O=C(N/N=C/c1ccc2c(c1)OCO2)C1=COCCO1 3180230 QDJPWMGIFOKLGJ-MKMNVTDBSA-N 276.248 0.754 50 40 CCGB Cc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 7782086 PHNDOKAAQVLAPP-LFMVTYOGSA-N 289.335 0.740 50 40 CCGB CN(C)[C@@H](CSSC[C@@H](C(=O)O)N(C)C)C(=O)O 2545406 RICIRHDRDJOBID-YUMQZZPRSA-N 296.414 0.397 50 40 CCGB in-vitro N#C/C(N)=C(C#N)/N=C\c1ccc(OCC(=O)O)cc1 33423024 YVNRTMSCNOYYLL-NOAWDVGHSA-N 270.248 0.786 50 40 CCGB CC/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 63421742 FXMYQNBCZOAVPT-CVZWZAMJSA-N 275.374 0.895 50 40 CCGB CC(C)(C)NC(=S)NNC(=O)c1ccncc1 8684169 WHXAOFQPOPEIKU-UHFFFAOYSA-N 252.343 0.989 50 40 CCGB COC(=O)COc1ccc(/C=C(\C#N)C(N)=O)cc1 408806733 BOGGZFLAVLPABW-UXBLZVDNSA-N 260.249 0.631 50 40 CCGB C/C(=N\NC(=O)CC#N)c1ccc(-n2cnnn2)cc1 5494501 RAKGKMAAJQVELW-OQLLNIDSSA-N 269.268 0.416 50 40 CCGB Cc1c(C(=O)NN)sc2c1C(=N)N1CCC[C@@H]1N2 27533943 HREDWZOVTSXCPK-ZCFIWIBFSA-N 265.342 0.833 50 40 CCGB CCNC(=O)CSc1nnc(NC(=O)CCl)s1 13945905 DDLFWKCYCQIHDZ-UHFFFAOYSA-N 294.789 0.944 50 40 CCGB O=C1O[C@@H]2[C@@H](I)[C@@H]3C[C@@H]2[C@@H]1[C@@H]3CO 103926702 PSTGDDPSSSCMBH-GBFNJJICSA-N 294.088 0.590 50 40 CCGB CC(C)(C)OC(=O)C(=O)OC(=O)N1CCC[C@@H](N)CC1 675082236 LQPXIMKGTJFFJH-SECBINFHSA-N 286.328 0.805 50 40 CCGB CCOC1=C/C(=C/NNC(=O)C[N+](C)(C)C)C=CC1=O 1847210 JZGUQKZTDLCBLJ-UHFFFAOYSA-O 280.348 0.257 50 40 CCGB C[C@@H](Cl)C(=O)N1CCN(c2ncccn2)CC1 19507829 GVEMJAWJIRQBSJ-SECBINFHSA-N 254.721 0.753 50 40 CCGB in-vitro Cc1cnn(CCC(=O)NNC(=S)NCC(C)C)c1 8855134 CBLYNQRDIQNEOH-UHFFFAOYSA-N 283.401 0.733 50 40 CCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1O 104742906 CBJHEGHJOATHOD-NTMALXAHSA-N 260.249 0.874 50 40 CCGB Cc1ccc(C)c(OCC(=O)NNC(=O)CCC(=O)O)c1 2134970 FJBHKRWMRAJTBA-UHFFFAOYSA-N 294.307 0.694 50 40 CCGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccncc1 4116061 FPZUULNOIDLLSG-VCHYOVAHSA-N 283.291 0.243 50 40 CCGB COc1cc(C(=O)N/N=C\C(=O)O)cc(OC)c1OC 8615446 FZBVLTTWIBFUJE-MLPAPPSSSA-N 282.252 0.513 50 40 CCGB COc1ccc(/C=N/NC(=O)[C@@H](C)O)c(OC)c1 59515360 NFMYNZQSPRYYKN-OREIZAMCSA-N 252.270 0.535 50 40 CCGB CCOc1ccc(CC(=O)NNC(=O)/C=C/C(=O)O)cc1 2369818 GKULABUPNADCFE-BQYQJAHWSA-N 292.291 0.416 50 40 CCGB Cc1nnc(SCC(=O)NNC(=O)CCl)s1 13945907 BJIMXLCGDBHTSZ-UHFFFAOYSA-N 280.762 0.325 50 40 CCGB Nc1snnc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 6321697 GEWRGRAYSUYILG-LFYBBSHMSA-N 292.280 0.792 50 40 CCGB CCS(=O)(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 45929134 PTDCYSVUJKCMJG-UHFFFAOYSA-N 273.270 0.179 50 40 CCGB NNC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32252963 RMOQOSDUBYSOQY-UHFFFAOYSA-N 279.174 0.982 50 40 CCGB CCOC(=O)/C(C#N)=C(\N)[C@@H](C)C(=O)Nc1ccccn1 100880962 IJIOANLTSIGSRQ-IHHQEMEHSA-N 288.307 0.956 50 40 CCGB CC(C)CC[C@@H](CCC(=O)NNC(N)=S)C(=O)O 2314998 LUWCXNKDBQPFLR-QMMMGPOBSA-N 275.374 0.768 50 40 CCGB O=C1C(=O)N(C(=O)CCl)CCN1Cc1ccccc1 36644188 IQKAFWRWWJHQOO-UHFFFAOYSA-N 280.711 0.623 50 40 CCGB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)NN)c1 225499392 ACERXUSIKLHFFV-UHFFFAOYSA-N 271.342 0.367 50 40 CCGB Cc1noc2ncc(C(=O)NNC(=O)NC(C)C)cc12 49477036 JXNIULIJBDXMRD-UHFFFAOYSA-N 277.284 0.884 50 40 CCGB O=C1O[C@@H]2[C@@H](I)[C@@H]3C[C@H]2[C@H]1[C@@H]3CO 105413445 PSTGDDPSSSCMBH-KNRMECKQSA-N 294.088 0.590 50 40 CCGB O=C(Nc1ncccn1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575420944 LEENTZUTCMQJBX-RQJHMYQMSA-N 290.732 0.003 50 40 CCGB Nc1nc(CC(=O)N/N=C/c2ccncc2)cs1 350415 YAAPOVJSKMGAQA-MKMNVTDBSA-N 261.310 0.813 50 40 CCGB CCOC1=C(C#N)C(=C(C#N)C#N)N[C@]1(O)C(F)(F)F 1392751 YJLXJMGMENFJQQ-SNVBAGLBSA-N 284.197 0.956 50 40 CCGB O=C(CC(=O)N/N=C/c1cccnc1)NCc1cccnc1 59461594 KFBBIHAWVDMIEU-YBFXNURJSA-N 297.318 0.633 50 40 CCGB COc1cccc(/C=C(/C#N)C(=O)NC(N)=O)c1OC 409221453 QNFYLELXAVVXKU-TWGQIWQCSA-N 275.264 0.806 50 40 CCGB O=C(O)CN1CC[C@H](CI)C1 79390387 UPBWKDJOIKLTTO-ZCFIWIBFSA-N 269.082 0.828 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1 1847285 ZRLHUJDOINDDHN-XNTDXEJSSA-O 263.365 0.909 50 40 CCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1O 408970182 CEXGFUGWOHSSDZ-HVIDBACLSA-N 293.323 0.766 50 40 CCGB COC(=O)C/C(=N/NC(=O)c1ccccc1)C(=O)OC 17024158 GXKLFYMLSUVTKL-UVTDQMKNSA-N 278.264 0.509 50 40 CCGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 21875064 FBXDKFBVELEJCB-CBAPKCEASA-N 262.265 0.832 50 40 CCGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc(O)cc1 6548185 DTIXWCXNSHNOII-VCHYOVAHSA-N 298.302 0.554 50 40 CCGB COCCCNC(=O)C(=O)NN=C1CCCCC1 58885644 GAZGQAVDIILBOT-UHFFFAOYSA-N 255.318 0.575 50 40 CCGB O=C(NNS(=O)(=O)CCC1CC1)c1ccccc1O 89811900 ANPYANUBYFSCFH-UHFFFAOYSA-N 284.337 0.757 50 40 CCGB O=C(/C=C1/SC(=O)NC1=O)NNC(=O)c1ccccc1 12579951 AFCDVNWNWLGOSJ-SOFGYWHQSA-N 291.288 0.315 50 40 CCGB C[C@H]1CN(S(=O)(=O)CBr)C[C@@H](C)O1 162812 NNFVNCIFRWPQSK-KNVOCYPGSA-N 272.164 0.778 50 40 CCGB CCN(CC)c1ccc(/C=N/NC(=O)CO)c(O)c1 366297 GDJSUQVKQRKPDW-RIYZIHGNSA-N 265.313 0.681 50 40 CCGB COc1ccc(-c2nnc3sc(C(=O)NN)nn23)cc1 37408025 WNOYTOOWMYBUTI-UHFFFAOYSA-N 290.308 0.465 50 40 CCGB CC/C(Cc1ccccc1)=N\NC(=O)Cn1nnnc1N 13552179 GZNCOQSVIXHSGE-RVDMUPIBSA-N 287.327 0.380 50 40 CCGB CCCNC(=O)/C(C#N)=C/c1ccccc1OCC(N)=O 4546460 RNRFUKFMQGVTRQ-XYOKQWHBSA-N 287.319 0.984 50 40 CCGB Cc1ccc(-c2ncc(CC(=O)NN)c(=O)[nH]2)cc1 223458103 BXVDTIVYHBXJHN-UHFFFAOYSA-N 258.281 0.278 50 40 CCGB COC(=O)/C(C#N)=C/N(C)c1cccc2[nH]nnc12 2532339 UXIUSKBHXBVUIQ-BQYQJAHWSA-N 257.253 0.975 50 40 CCGB O=C1O[C@H](C(=O)NNc2ncccn2)Cc2ccccc21 44716755 YYWCWMRRYPCUSJ-NSHDSACASA-N 284.275 0.701 50 40 CCGB Cc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)o1 59474727 XBWLKBKUZHKGKA-VGOFMYFVSA-N 251.286 0.810 50 40 CCGB NNC(=O)COCC(=O)Nc1ccc(Cl)cc1 4690212 AUBKOLHESIIJQM-UHFFFAOYSA-N 257.677 0.285 50 40 CCGB C[C@@H](Cl)C(=O)NNC(=O)c1ccc(C#N)cc1 97673617 PCNONRYXGASOBU-SSDOTTSWSA-N 251.673 0.947 50 40 CCGB NNC(=O)c1cc(OCC(F)(F)F)ncc1F 725343319 FGQJPHTZMJDTIM-UHFFFAOYSA-N 253.155 0.765 50 40 CCGB NC(=O)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21 35155228 TYDAEZBOGSMPIC-JYRVWZFOSA-N 271.273 0.376 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 8217566 PGXVYFXYOCMVDI-NTUHNPAUSA-N 278.268 0.570 50 40 CCGB COCCNC(=S)NNC(=O)c1ccccc1OC 7062706 WEJHVZPHJUHZTL-UHFFFAOYSA-N 283.353 0.451 50 40 CCGB C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)C1CC1 58418123 ORMIAHNVJFQZKA-GXSJLCMTSA-N 270.329 0.518 50 40 CCGB C[C@H](Cl)C(=O)NC[C@@H]1CC[C@H](N2CCOCC2)NC1 256052410 NDYDLKVEXRCZGD-TUAOUCFPSA-N 289.807 0.388 50 40 CCGB CCCCC(=O)NN/C=C1\C(=O)N(C)C(=S)N=C1O 2309105 ZAUMWNJVIFHXPI-SREVYHEPSA-N 284.341 0.395 50 40 CCGB CCOC(=O)NNC(=O)CCS(=O)(=O)C1CCCC1 48069844 PZYLTNRAUXRXAU-UHFFFAOYSA-N 292.357 0.511 50 40 CCGB COC(=O)NNS(=O)(=O)c1ccc(OC)cc1 7405502 WZDIMLNXGAHHQG-UHFFFAOYSA-N 260.271 0.245 50 40 CCGB CCOC(=O)/C(=C/NNC(=O)c1ccncc1)C(C)=O 255189610 RBIIPHQQODVZHO-DHZHZOJOSA-N 277.280 0.352 50 40 CCGB CCOc1cc(/C=N/NC(=O)[C@@H](C)O)ccc1O 59515365 IUAXQNLPIJUHPM-OREIZAMCSA-N 252.270 0.622 50 40 CCGB CC(C)(C)CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 9051594 JRPTULCIYCYGOR-HTQZYQBOSA-N 267.778 0.943 50 40 CCGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c(C)o1 27610515 BNOODAFXSZSRGZ-JTQLQIEISA-N 252.270 0.836 50 40 CCGB CNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 8091867 UMFOUFWOAFVHEB-LHHJGKSTSA-N 285.687 0.250 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1O 1573835 QQMGZCWFYLPRME-LZYBPNLTSA-N 287.275 0.752 50 40 CCGB CCCCC(=O)NC(=S)NNC(=O)c1ccncc1 6396591 MGNCUPXRTOOUGB-UHFFFAOYSA-N 280.353 0.907 50 40 CCGB CCc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1 3669924 HRODCBYEKKLUSV-OQLLNIDSSA-N 259.309 0.978 50 40 CCGB O=C1NCCC[C@H]1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 236643 LNAXUMSKTURYFS-XBLUXWHVSA-N 290.279 0.571 50 40 CCGB C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NN)cc2N1 2568979 DAPJJVXXVSASTN-UJURSFKZSA-N 263.223 0.794 50 40 CCGB C[C@H](Cl)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 37831175 ZTXXPFATZNDPPL-YUMQZZPRSA-N 268.766 0.154 50 40 CCGB CCNC(=O)NNC(=O)c1cccc(N(C)C)c1 67742881 KYUKTUPHXWOXLT-UHFFFAOYSA-N 250.302 0.717 50 40 CCGB NC(=O)Cn1c(CCl)nc2ccccc2c1=O 4207210 VDJLNTWQOAOWFQ-UHFFFAOYSA-N 251.673 0.621 50 40 CCGB COc1ccc(/C=N/NC(=O)c2no[n+]([O-])c2C)cc1 175677 YQCCPUAFWKJBRJ-NTUHNPAUSA-N 276.252 0.389 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1cccc(F)c1 12785395 PVFKDRIRRQJBBF-UHFFFAOYSA-N 262.262 0.765 50 40 CCGB CN1C(=O)/C(=N\NC(=O)C(C)(C)O)c2ccccc21 100764775 JNTGMVBMZDKBAL-UVTDQMKNSA-N 261.281 0.254 50 40 CCGB O=C(O)C[C@H](NCc1ccco1)C(=O)OCCCl 2247458 KFXZWPRCDRWGHJ-VIFPVBQESA-N 275.688 0.995 50 40 CCGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(O)nn1 17196869 XXQHBTIFZXHHQQ-NTUHNPAUSA-N 287.235 0.854 50 40 CCGB CC(C)CNC(=O)CC(=O)N/N=C/c1cccnc1 5380519 VAACTLDFBGTXQX-CXUHLZMHSA-N 262.313 0.694 50 40 CCGB N#C/C(=C/c1ccccc1)C(=O)NN1CCOCC1 3299203 WSVQRGOMNFWLQU-RAXLEYEMSA-N 257.293 0.957 50 40 CCGB O=C(CCl)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 2363715 WCWHQZCCLNJYHW-NXEZZACHSA-N 295.788 0.420 50 40 CCGB CC(=O)NNC(=O)CSc1ncnc2ccccc12 8188473 HVYXMURUKVQEDU-UHFFFAOYSA-N 276.321 0.889 50 40 CCGB CCS(=O)(=O)[C@@H](I)[C@H](C)O 96519295 UHNKJHQGQBWKQN-CRCLSJGQSA-N 278.111 0.563 50 40 CCGB CNC(=S)NNC(=O)CC(=O)Nc1ccc(F)cc1 4739060 XVOHIQAOKIMYAJ-UHFFFAOYSA-N 284.316 0.279 50 40 CCGB CCCCOC(=O)[C@@H]1N2CCC(CC2)[C@@]1(O)C#N 29748791 NYHNBIBTPQVROL-AAEUAGOBSA-N 252.314 0.679 50 40 CCGB CN(C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 95116898 RQMWPHLVDXSSEM-UHFFFAOYSA-N 291.760 0.211 50 40 CCGB Cc1ccccc1/C=N/NC(=O)Cn1cnc([N+](=O)[O-])n1 196030 VRIBUVIIPMMCPR-MKMNVTDBSA-N 288.267 0.645 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OC 5430872 LKXGAMUEUUYKBV-CXUHLZMHSA-N 293.323 0.680 50 40 CCGB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NN)ccc12 2650208 WSJJLOWBIZJERK-QMMMGPOBSA-N 262.265 0.859 50 40 CCGB NNC(=O)Cc1nc(CNc2cccc(Cl)c2)n[nH]1 40175877 NQQPUCSNJXWGLX-UHFFFAOYSA-N 280.719 0.603 50 40 CCGB CCOC(=O)[C@](O)(NC(=O)CCl)C(F)(F)F 3138015 AVGCCEGFMMWZSO-ZCFIWIBFSA-N 263.599 0.155 50 40 CCGB Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 358709 QKMVWKSVCHEOJQ-UHFFFAOYSA-N 289.251 0.701 50 40 CCGB CC(C)C(=O)NNC(=O)CSc1nnnn1C(C)C 4883340 RBWOMXPUSPGEML-UHFFFAOYSA-N 286.361 0.150 50 40 CCGB COCCNC(=O)C(=O)N/N=C/c1sccc1C 5748623 IUALCNNDNISQGN-NTUHNPAUSA-N 269.326 0.269 50 40 CCGB CCC(=O)NC(=S)NNC(=O)c1ccccc1 2064439 QLLINGYTGGDXCJ-UHFFFAOYSA-N 251.311 0.732 50 40 CCGB Cc1ccc(C(=O)NNC(=O)c2cc[n+]([O-])cc2)c(O)c1 80387723 WLGOBNPAEGAJHH-UHFFFAOYSA-N 287.275 0.409 50 40 CCGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cnn(C)c1 252499151 RWENWLRZSOCTRA-WLRTZDKTSA-N 264.264 0.365 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(C(=O)O)cc1 3659849 HFQRUPBHMWXSJU-CXUHLZMHSA-N 289.291 0.527 50 40 CCGB C/C(=N\NC(=O)Cn1nnc(N)n1)c1ccc(C)cc1 547621 FGXFKFSEXCBSTD-NTEUORMPSA-N 273.300 0.104 50 40 CCGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1n[nH]c2c1CCCC2 13230337 SFQDVRXDAWALBL-CBAPKCEASA-N 262.313 0.706 50 40 CCGB CC(C)c1ccc(S(=O)(=O)[C@H](C)C(=O)NN)cc1 95929491 UMXPZTGGIVADQE-SECBINFHSA-N 270.354 0.962 50 40 CCGB Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)(C)C)cc1 4713741 VNJAGCHWCLYCDQ-UHFFFAOYSA-N 277.324 0.671 50 40 CCGB O=C(NNC(=O)C1CC1)c1ccc(N2CCCC2=O)cc1 26966475 REVAZLDXDZQPQQ-UHFFFAOYSA-N 287.319 0.984 50 40 CCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCC1 6310472 RGKPDOSDYVZCFL-GFCCVEGCSA-N 276.292 0.774 50 40 CCGB COc1c(O)cccc1/C=N/NC(=O)c1cnc[nH]c1=O 5400279 PSQPPGOMJGUQAI-FZSIALSZSA-N 288.263 0.248 50 40 CCGB Cn1cnnc1CNC(=O)NNC(=O)c1cccs1 12984164 QIHYRIVAGDAGPQ-UHFFFAOYSA-N 280.313 0.021 50 40 CCGB NNC(=O)CNc1cccc(I)c1 1732063 AIUMCMYGQJTDPE-UHFFFAOYSA-N 291.092 0.693 50 40 CCGB Cc1cccc(C(=O)NNC(=O)C(=O)NC(C)(C)C)c1 4713740 DWWAMTQPMHSBCI-UHFFFAOYSA-N 277.324 0.671 50 40 CCGB COC(=O)[C@@H](C)N(CCCl)P(=O)(N1CC1)N1CC1 104275027 FFDHUALCPGXTMZ-SECBINFHSA-N 295.707 0.828 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1 7918414 PZHNHTVHYIITKZ-OQLLNIDSSA-N 276.340 0.727 50 40 CCGB CCOC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 12746695 HYPQQJUWELCOSX-UHFFFAOYSA-N 253.214 0.986 50 40 CCGB COC(=O)[C@H]1CCCN1C(=O)CBr 41671975 HRDFBVJXJFDTHU-ZCFIWIBFSA-N 250.092 0.545 50 40 CCGB CC(C)NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 8217576 LZOOHZMIKRRWQK-NTUHNPAUSA-N 278.268 0.570 50 40 CCGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cnccn1 1674748 JEUPWZGSVCSAKN-WLRTZDKTSA-N 261.197 0.742 50 40 CCGB Cc1cc(Cl)ccc1N1C[C@@H](C(=O)NN)CC1=O 57351187 MALTZHQXSILCLL-QMMMGPOBSA-N 267.716 0.991 50 40 CCGB CCNC(=O)N(C)NC(=O)c1cccnc1OCC 95457355 WGCSUIGYYLZXKE-UHFFFAOYSA-N 266.301 0.786 50 40 CCGB Cc1c(C(=O)NN)sc2c1C(=N)N1CCC[C@H]1N2 27533940 HREDWZOVTSXCPK-LURJTMIESA-N 265.342 0.833 50 40 CCGB C[C@@]12CCCC=C1NC(=O)[C@@]21C(=O)NC(N)=C1C#N 100257603 NJCVMGHUMAVNLC-OLZOCXBDSA-N 258.281 0.000 50 40 CCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccco1 101027531 PJHJJJSUCMMJJU-NSHDSACASA-N 286.243 0.943 50 40 CCGB C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)C[C@H](C)O1 32642266 GFAPJJNVJKDJGZ-RYUDHWBXSA-N 291.351 0.557 50 40 CCGB Nc1cccc(C(=O)N/N=C2/C(=O)N[C@@H]3C=CC=C[C@@H]23)c1 6898521 IDHFVMILTUWVON-UUTMHKIPSA-N 282.303 0.595 50 40 CCGB NC(=O)COc1ccc(CNC(=O)CCl)cc1 57214378 JFHMFLNYXIRICN-UHFFFAOYSA-N 256.689 0.406 50 40 CCGB Nc1nonc1CC(=O)N/N=C/c1ccccc1Cl 4180461 GFYWJTTXQUJWGE-MKMNVTDBSA-N 279.687 0.998 50 40 CCGB CCCCNC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 3009148 KROUHAYPBRCOHF-LZYBPNLTSA-N 291.307 0.782 50 40 CCGB CCOC(=O)CN/C=C(\C=N\NC(N)=O)c1ccccc1 13404123 RXXUJYDJGLAZBF-MAJDQBKLSA-N 290.323 0.834 50 40 CCGB CC(C)C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1 9884945 CIOJFYBRJYNGFB-UHFFFAOYSA-N 297.742 0.873 50 40 CCGB O=C1O[C@@H](C(=O)NNc2ncccn2)Cc2ccccc21 44716753 YYWCWMRRYPCUSJ-LLVKDONJSA-N 284.275 0.701 50 40 CCGB NNC(=O)c1cn(C[C@@H](O)c2cccc(Cl)c2)nn1 80316342 XUUMOKYCPFBBIP-SNVBAGLBSA-N 281.703 0.269 50 40 CCGB CCCN(CCC)c1nc(OC)nc(N(N)C(N)=O)n1 1425179 CPUAZVSWAAXSSG-UHFFFAOYSA-N 283.336 0.265 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 408969589 QLBONHQGOMPUBJ-KOLYXTFFSA-N 291.307 0.750 50 40 CCGB C/C(=N\NC(=O)C(N)=O)c1ccc(Br)cc1 4646821 FTCZEZGEPCMKGS-AWNIVKPZSA-N 284.113 0.775 50 40 CCGB CCOc1cc(/C=N/NC(=O)c2nc[nH]n2)ccc1O 6207263 NSHPXPUBVMIVQB-MKMNVTDBSA-N 275.268 0.673 50 40 CCGB CC[C@](C)(C(=O)NN)N1CCN(c2ccccc2)CC1 22123802 OTDAYKZNGBDMBL-OAHLLOKOSA-N 276.384 0.967 50 40 CCGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 21875070 FBXDKFBVELEJCB-IONNQARKSA-N 262.265 0.832 50 40 CCGB CCC(CC)=NNC(=O)C(=O)NC[C@@H]1CCCO1 59434322 XCZMAONABGSVGF-JTQLQIEISA-N 255.318 0.574 50 40 CCGB CCCCOC(=O)[C@H]1N2CCC(CC2)[C@]1(O)C#N 29748796 NYHNBIBTPQVROL-DGCLKSJQSA-N 252.314 0.679 50 40 CCGB NC(=O)CCn1cc(/C=N/NC(N)=O)c2ccccc21 6080241 QQJIEEURBBWCTD-FRKPEAEDSA-N 273.296 0.519 50 40 CCGB O=S1(=O)C[C@@H]2Sc3nncn3[C@H]2[C@H]1Br 5258256 JPNIRFRMIOBGTE-LMVFSUKVSA-N 296.171 0.443 50 40 CCGB CC(=O)S[C@@H]1CS(=O)(=O)C[C@@H]1Br 16789874 CXORRTZVZLVOJB-NTSWFWBYSA-N 273.173 0.827 50 40 CCGB CC[C@@H](C)C(=O)NNS(=O)(=O)c1c(C)noc1C 48654715 OVJKRKBSTOLQJZ-ZCFIWIBFSA-N 275.330 0.647 50 40 CCGB CCc1ccccc1NC(=O)CC(=O)NNC(=S)NC 13945068 HFYKVVHVOIMLDW-UHFFFAOYSA-N 294.380 0.703 50 40 CCGB C=C(C)C(=O)NC(=S)NNC(=O)c1ccccc1O 35327210 CEFJJJPVIKYDOG-UHFFFAOYSA-N 279.321 0.604 50 40 CCGB CC(C)(C)NC(=O)C(=O)NNC(=O)/C=C/c1ccccc1 5284031 YDAMXMAQGVGWJB-MDZDMXLPSA-N 289.335 0.762 50 40 CCGB C[C@H]1C(=O)NN=C1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 102965466 MTTACIUSOUNPAI-NRLRWNIESA-N 289.251 0.167 50 40 CCGB O=C1CC[C@@H](N2C(=O)[C@H]3CCCC[C@@H]3C2=O)C(=O)O1 104194975 XTMMBQMJJKJFTB-XHNCKOQMSA-N 265.265 0.394 50 40 CCGB CCCCCC[C@H](O)C[C@H](CCC(=O)NN)C(=O)NN 4610515 AJKFOMLDPVIJHN-QWRGUYRKSA-N 288.392 0.084 50 40 CCGB O=C(CCl)N[C@@H]1CCCN(c2cnccn2)C1 43220342 JFSSQQQCYCUUIF-SECBINFHSA-N 254.721 0.800 50 40 CCGB CCOc1ccccc1C(=O)NNC(=S)NC 6951067 LAZIQUDLZSLCEY-UHFFFAOYSA-N 253.327 0.824 50 40 CCGB COCCOCCOCCOCCOCCCl 125230503 SGGFTROAPISQIT-UHFFFAOYSA-N 270.753 0.938 50 40 CCGB O=C(CC(=O)N/N=C/c1ccccn1)NCc1cccnc1 4116057 UNDFPNIAHOUAHE-YBFXNURJSA-N 297.318 0.633 50 40 CCGB CCOC(=O)CC(=O)NNC(=O)c1ccccc1 4265314 HREJSTJZEMMLPX-UHFFFAOYSA-N 250.254 0.401 50 40 CCGB Cc1cc(C(=O)N/N=C/c2ccc(O)c(O)c2)[nH]n1 8556220 CXBRNOHUSNPJAY-AWNIVKPZSA-N 260.253 0.893 50 40 CCGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCC(N)=O)cc1 408904104 DVMFEGORBLAKOR-XFFZJAGNSA-N 273.292 0.546 50 40 CCGB CCN(CC)CCN(NC(C)C)C(=O)c1[nH]nnc1C 5398138 BXOKKTIPLNUOOI-UHFFFAOYSA-N 282.392 0.810 50 40 CCGB CNC(=S)NNC(=O)COc1ccc(OC)cc1 6490448 SJNBZEVOELYWAZ-UHFFFAOYSA-N 269.326 0.199 50 40 CCGB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccco1 2927842 FNOKYVIJDFZZHR-BQBZGAKWSA-N 263.702 0.414 50 40 CCGB O=C(CCl)N[C@@H]1CCCc2c1cnn2CCO 37000281 UREQHJJZRUAOPP-SECBINFHSA-N 257.721 0.608 50 40 CCGB CC1(C)C(C#N)=C(SCC(N)=O)NC(=O)[C@H]1C#N 141459 PLZUITLKNIXSGQ-ZCFIWIBFSA-N 264.310 0.236 50 40 CCGB COCCNC(=S)NNC(=O)c1ccc(O)cc1 7062561 YQJGDBXICDUWIY-UHFFFAOYSA-N 269.326 0.148 50 40 CCGB CC(=O)Nc1c([N+](=O)[O-])ccc2c1C(=O)OC2=O 59186433 LJBUHBUTQGVGLE-UHFFFAOYSA-N 250.166 0.864 50 40 CCGB NS(=O)(=O)c1ccc(O)c(NC(=O)CCl)c1 5603366 YPDQPVXCXFYQIF-UHFFFAOYSA-N 264.690 0.217 50 40 CCGB NNC(=O)c1cc[n+](Cc2ccc3nsnc3c2)cc1 240916 BEJHLOQRUMRNHH-UHFFFAOYSA-O 286.340 0.631 50 40 CCGB CC(C)(C)C(=O)N[C@@H](CSSCCO)C(=O)O 2522631 YRCCXPUPPPWSLW-ZETCQYMHSA-N 281.399 0.976 50 40 CCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 7783592 OFUSIVPDCOMHOE-NEFPKRPYSA-N 291.307 0.780 50 40 CCGB CCOC(=O)N[C@H](C(=O)NNC(=O)C1CC1)C(C)C 48078870 DZVXBKMMPQVPKS-VIFPVBQESA-N 271.317 0.315 50 40 CCGB O=C(C[C@H]1NCCNC1=O)N/N=C/c1c[nH]c2ccccc12 55116674 VCSBRPSKWDSATR-VDLQQMNMSA-N 299.334 0.096 50 40 CCGB O=C(NNc1ccc2nncn2n1)c1ccccc1 81789 WSRBJPJOUHIZFQ-UHFFFAOYSA-N 254.253 0.881 50 40 CCGB CCOC(=O)COc1ccccc1/C=N/NC(N)=O 1509008 XNDBWHSAHYFSIR-VGOFMYFVSA-N 265.269 0.631 50 40 CCGB FC(F)(F)[C@@H]1C=c2[nH]cnc2=C[C@H]1Br 169798783 OYZARWWKTKQJFF-RFZPGFLSSA-N 267.048 0.926 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2C[C@H]2C)n1 47466083 KRBYGOCYXIQLDN-GMSGAONNSA-N 250.302 0.303 50 40 CCGB COC(=O)c1c(NC(=O)C(=O)NN)sc2c1CCCC2 6759728 RRKRYVCOURTWGP-UHFFFAOYSA-N 297.336 0.342 50 40 CCGB CCOC(=O)NNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 23241916 BMKBMUGESKHSGO-LDYMZIIASA-N 280.280 0.992 50 40 CCGB O=C=Nc1ccc(CS(=O)(=O)N2CCNCC2)cc1 199733060 RNONKHPMTFHIRA-UHFFFAOYSA-N 281.337 0.389 50 40 CCGB CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCO2)c1 69296493 MNPRRSAJYZBHLF-GFCCVEGCSA-N 277.324 0.693 50 40 CCGB COc1ccc([N+](=O)[O-])cc1C(=O)NNC(N)=S 15423267 NSECOSSEOPKABC-UHFFFAOYSA-N 270.270 0.081 50 40 CCGB COc1cc(/C=C/C(=O)NN)cc(OC)c1OC 6421550 MGOAADFBUSMIFH-SNAWJCMRSA-N 252.270 0.716 50 40 CCGB CCOC(=O)NNC(=O)c1cc(=O)[nH]c2ccccc12 13006219 YTENFDZCTPLJPF-UHFFFAOYSA-N 275.264 0.919 50 40 CCGB COc1ccc(/C=N/NC(=O)[C@@H]2CCC(=O)N2)cc1O 4724662 SHAHAKNIPAWONJ-DUJAKZANSA-N 277.280 0.130 50 40 CCGB CCCOC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167618 ODJCKAHRQHKTKN-RNFRBKRXSA-N 271.791 0.692 50 40 CCGB COCCNC(=O)N/N=c1/c(=O)c2cccc3cccc1c32 64341993 WBHZULIWBKEFFA-NBVRZTHBSA-N 297.314 0.990 50 40 CCGB COc1ccc(NC(=O)/C(C)=N\NC(N)=O)cc1 4204408 SZMQPFJKQWHSSN-AUWJEWJLSA-N 250.258 0.678 50 40 CCGB O=S1(=O)C[C@@H](Cl)[C@@H](/N=C/c2ccncc2)C1 5906281 AAAMVMWHAHJLTN-UTTFDNRBSA-N 258.730 0.905 50 40 CCGB NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 3471999 MJOUIIOBXXVSEI-YIXHJXPBSA-N 260.080 0.929 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1ccc(O)c(OCC)c1 5952546 NXWGDDJLGQZAMN-OVCLIPMQSA-N 279.296 0.377 50 40 CCGB CC[C@@H](C(=O)NN)N1CCN(c2ccc(F)cc2)CC1 22539057 ITFIPOXPGPCRFP-ZDUSSCGKSA-N 280.347 0.716 50 40 CCGB COc1ccccc1OCC(=O)NNC(=O)CCC(=O)O 1794764 NDRHLYFCCRBGCQ-UHFFFAOYSA-N 296.279 0.086 50 40 CCGB Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NN)co1 225314974 AWBASPXUSFMLKO-NSHDSACASA-N 288.307 0.314 50 40 CCGB CCCCCC[C@]1(/C=N/NC(N)=O)NC(=O)N(C)C1=O 1692325 QYUOODMTECMWFJ-ZBQKXELDSA-N 283.332 0.531 50 40 CCGB CCC(=O)NC(=S)NNC(=O)c1ccc(O)cc1 4977058 MIUGSXDNQICPKY-UHFFFAOYSA-N 267.310 0.438 50 40 CCGB COCCNC(=S)NNC(=O)c1cccc(F)c1 7062660 AOLICLWGOHYMHY-UHFFFAOYSA-N 271.317 0.581 50 40 CCGB CC(=O)OCC12C3[C@@H]4C5[C@H]3[C@H]1C([C@H]1C(=O)OC(=O)[C@H]51)[C@@H]42 104281551 GNHPPKXQCPPJMX-UTXVNXQISA-N 274.272 0.233 50 40 CCGB O=C(Nc1ncccn1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575420939 LEENTZUTCMQJBX-BQBZGAKWSA-N 290.732 0.003 50 40 CCGB CC(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 2064466 IMQLJHIBYUNQRP-UHFFFAOYSA-N 282.281 0.250 50 40 CCGB CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccccc1 3664634 YKQPAHZGLPQENJ-UHFFFAOYSA-N 293.323 0.128 50 40 CCGB CCNC(=O)NNC(=O)Cc1cccc(OC)c1 49183428 HANNJAAVLDFOOX-UHFFFAOYSA-N 251.286 0.588 50 40 CCGB COc1cc([C@@H]2ON=C(C(=O)NN)[C@H]2C)cc2c1OCO2 12417221 QXPUZEAHWYTNNA-KSBSHMNSSA-N 293.279 0.477 50 40 CCGB O=C(C[n+]1ccccc1)N/N=C/c1ccc(O)cc1O 3192316 HQAPPLNCIBBYBM-UHFFFAOYSA-O 272.284 0.536 50 40 CCGB O=C(N/N=C\c1ccc(O)cc1)c1cc[n+]([O-])cc1 85565190 CSCGDOQALOMBPG-ZROIWOOFSA-N 257.249 0.790 50 40 CCGB COc1ccc(-c2ncc(C(=O)NN)cn2)cc1OC 223456914 YQAWMZPMPDMDFR-UHFFFAOYSA-N 274.280 0.764 50 40 CCGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccn(C)n1 252485405 GUCWECJBRODIRK-AWNIVKPZSA-N 264.264 0.365 50 40 CCGB NNC(=O)c1nnc2sc(-c3ccccc3F)nn12 57332563 WRJIVIRUNYRSGM-UHFFFAOYSA-N 278.272 0.595 50 40 CCGB CCOC(=O)c1nnn(-c2nonc2N)c1CCl 19737363 QGQVCNGRDXLGAV-UHFFFAOYSA-N 272.652 0.148 50 40 CCGB NNC(=O)C/C(N)=N\Nc1ccc(Cl)cc1[N+](=O)[O-] 16385216 JLZTWGAYZAYTKV-UHFFFAOYSA-N 286.679 0.312 50 40 CCGB CNC(=S)NNC(=O)[C@H](C)Oc1ccccc1C 6861218 UEQOIKXGVCZYQA-VIFPVBQESA-N 267.354 0.887 50 40 CCGB CC(=O)NNC(=O)C[C@@H]1Sc2ccccc2NC1=O 23199175 ZIEKLXBEBQQICE-JTQLQIEISA-N 279.321 0.657 50 40 CCGB O=C(O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H](Br)[C@@H]1C[C@H]23 100002624 YAUZWMLHLWHCLG-NYLBLOMBSA-N 261.071 0.642 50 40 CCGB in-vitro Cc1ccc(NC(=O)NNC(=O)CC#N)c([N+](=O)[O-])c1 4828991 DYKCIUWPLHFYIR-UHFFFAOYSA-N 277.240 0.970 50 40 CCGB NNC(=O)Cc1nn2c(C3CCCCC3)nnc2s1 3331273 JQGFRNGLKGEQQK-UHFFFAOYSA-N 280.357 0.766 50 40 CCGB CC(C)(C)OC(=O)n1ccc2c(B(O)O)ccnc21 2297735886 MOQYNEPEBCVHOH-UHFFFAOYSA-N 262.074 0.499 50 40 CCGB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NN)cc1 6321845 MQMCZGCSUROPCG-UHFFFAOYSA-N 299.396 0.686 50 40 CCGB C[N+]1(CCCNC(=O)C(Cl)Cl)CCOCC1 2393665 DYFCNFGXEJDVEI-UHFFFAOYSA-O 270.180 0.773 50 40 CCGB Cc1nn(C[C@H](C)C(=O)NN)c(C)c1Br 2534385 PRTMNMMVFCWZAW-YFKPBYRVSA-N 275.150 0.888 50 40 CCGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccco1 7949190 WHWDXQJFUFZPFB-UHFFFAOYSA-N 298.258 0.591 50 40 CCGB CCCC[C@H](NC(=O)Cc1ccccc1O)C(=O)NN 255189974 UDEAJFHORKQKPE-NSHDSACASA-N 279.340 0.600 50 40 CCGB O=C1NC(=O)C2(C[C@H]3CCC[C@H](C2)N3CCCl)N1 1585995 DOQJTPJTPJIQJJ-RKDXNWHRSA-N 271.748 0.820 50 40 CCGB C/C(=N\NC(=O)CSc1nncn1C)c1ccncc1 5100563 IZOSNDGTYHOBDQ-OQLLNIDSSA-N 290.352 0.843 50 40 CCGB COc1ccc(-c2noc(C(=O)NN)n2)cc1OC 78404307 KHEWFCDOXHDZSO-UHFFFAOYSA-N 264.241 0.357 50 40 CCGB CCS(=O)(=O)[C@@H](Br)[C@H](O)C1CC1 96519145 MYXBOZXBMCETLV-RNFRBKRXSA-N 257.149 0.913 50 40 CCGB C/C(N)=C(\C#N)C(=O)Cn1nnc(-c2ccccc2)n1 105802548 XPPTVGSMVJJPAM-LUAWRHEFSA-N 268.280 0.665 50 40 CCGB C[C@@H](NC(=O)NNC(=O)c1cnccn1)c1ccccn1 26185148 NFMGYPYCTFXNSH-SECBINFHSA-N 286.295 0.577 50 40 CCGB NNC(=O)c1nnc2sc(-c3cccc(F)c3)nn12 57332640 DBJKRWIFBCJXBU-UHFFFAOYSA-N 278.272 0.595 50 40 CCGB COC(=O)NNC(=O)[C@@H](C)NC(=O)c1ccccc1 2664413 ZLOJDUOKQKUWJZ-MRVPVSSYSA-N 265.269 0.192 50 40 CCGB Cc1nc(C(=O)Nc2ccc(CC(=O)NN)cc2)co1 225315943 RXGJTSSCBWWETB-UHFFFAOYSA-N 274.280 0.768 50 40 CCGB CCS(=O)(=O)N(C)c1ccc(CC(=O)NN)cc1 226106424 CVGWCZDYNNBCSD-UHFFFAOYSA-N 271.342 0.005 50 40 CCGB COc1cccc2cc(C(=O)NNC(N)=S)c(=O)oc12 6182540 PHKYYVQYQTYBSC-UHFFFAOYSA-N 293.304 0.280 50 40 CCGB COc1cccc(/C=N/NC(=O)CN(C)C)c1O 1636904 SILBEOKOLWSVMC-NTUHNPAUSA-N 251.286 0.413 50 40 CCGB O=C(N[C@H]1C=CS(=O)(=O)C1)OC[C@H](Cl)CCl 59568577 JQJKMELGQCHPGK-RQJHMYQMSA-N 288.152 0.870 50 40 CCGB CCOc1ccc(CC(=O)NNC(=S)NC)cc1 13687976 LUACZKMWOVEXPQ-UHFFFAOYSA-N 267.354 0.753 50 40 CCGB Cc1[nH]nc2c1[C@]1(CC[C@H]3CO[C@H]1O3)C(C#N)=C(N)O2 100225986 BMRWNUGNONREHY-PAWXDDDFSA-N 274.280 0.578 50 40 CCGB Cc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1 1101889 BCJZVXZWVXDEAU-UHFFFAOYSA-N 292.320 0.408 50 40 CCGB O=C(NNC(=S)NC(=O)c1ccco1)c1ccco1 2376258 VYBYFVAFYGJVQG-UHFFFAOYSA-N 279.277 0.822 50 40 CCGB NNC(=O)C(=O)Nc1ccccc1Br 36948218 ZDQXQGRJFAJLRV-UHFFFAOYSA-N 258.075 0.378 50 40 CCGB CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)NN 226818255 MFUPOZVNIKBBKY-SNVBAGLBSA-N 255.343 0.421 50 40 CCGB NNC(=O)c1ncn(C[C@@H](O)c2ccc(Cl)cc2)n1 98210956 LPHDLPIUIBVZBW-SECBINFHSA-N 281.703 0.269 50 40 CCGB NNC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 2388727 LQLWMLWITWSVSS-UHFFFAOYSA-N 261.241 0.443 50 40 CCGB COc1ccc(NC(=O)CCl)cc1S(N)(=O)=O 4200483 UTSIXBGWRVEQCK-UHFFFAOYSA-N 278.717 0.520 50 40 CCGB COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 8217562 PNPJNGCDTVJJIH-RIYZIHGNSA-N 263.297 0.670 50 40 CCGB Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)o1 7604862 OFCIVWLZKNZIOL-UHFFFAOYSA-N 292.320 0.931 50 40 CCGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccccn1 59516117 FDLIUFJNBATUQD-CXUHLZMHSA-N 262.313 0.694 50 40 CCGB CN1CCC(=NNC(=O)C(=O)Nc2ccccc2F)CC1 58176931 GKBWLFDCKAFCKO-UHFFFAOYSA-N 292.314 0.962 50 40 CCGB NNC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1 5657744 ZFEALFOUTXEHAK-UHFFFAOYSA-N 280.291 0.933 50 40 CCGB CC(C)CNC(=S)NNC(=O)c1cccnc1 6827135 ILJKLQILMQXZQG-UHFFFAOYSA-N 252.343 0.847 50 40 CCGB O=C(NNC(=O)c1ccn[nH]1)c1cc(Br)c[nH]1 44956310 WMJSQCPPYFJKFL-UHFFFAOYSA-N 298.100 0.575 50 40 CCGB Cc1cc(C(=O)NNC(=S)NCC(C)C)no1 13470939 ZHQNZPZNGYNKDM-UHFFFAOYSA-N 256.331 0.748 50 40 CCGB O=[N+]([O-])CCc1c[nH]c2c1=C[C@@H](Br)CC=2 239563041 QWGMFSLXVCTWOE-QMMMGPOBSA-N 271.114 0.562 50 40 CCGB CCC(=O)NC(=S)NNC(=O)COc1ccccc1 2690779 QAIARLIEIDULPD-UHFFFAOYSA-N 281.337 0.497 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1ccc(F)cc1 3360506 NXVULHIAMMDPOK-UHFFFAOYSA-N 262.262 0.765 50 40 CCGB CCS(=O)(=O)[C@@H](I)C(C)=O 96517974 NKZMTPYUDNWEMQ-RXMQYKEDSA-N 276.095 0.771 50 40 CCGB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CC#CCCl 1734852 QUUNVRWFOIXKNW-YNFQOJQRSA-N 253.685 0.391 50 40 CCGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccccn1 100929819 MHGFOIWJCCMTQT-YFHOEESVSA-N 254.249 0.874 50 40 CCGB C[C@@H]1CN(C(=O)NNC(=O)c2ccc(F)cc2)CCO1 49339564 JGSWIXRJUSCBBT-SECBINFHSA-N 281.287 0.901 50 40 CCGB CCNC(=S)NNC(=O)Cc1noc2ccccc12 4051174 RSFVYYDLZBNKIK-UHFFFAOYSA-N 278.337 0.886 50 40 CCGB CC(=O)O[C@@H]1[C@H]2C(=O)OC(=O)[C@@H]2[C@@H]2CCC[C@]23O[C@H]13 73406976 WZSJQZZTACNZPV-GMSHHKNDSA-N 266.249 0.185 50 40 CCGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1O 3084405 MQHJFGGAYRCWBU-LZYBPNLTSA-N 293.323 0.623 50 40 CCGB CCO[C@@H]1OC(C(N)=O)=CC[C@@H]1Br 16918412 ZHBWFGRERMQGJI-YLWLKBPMSA-N 250.092 0.902 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 7782510 OYRLBKOBLKTOQJ-OVCLIPMQSA-N 292.295 0.817 50 40 CCGB O=C(CC(=O)N/N=C/c1ccncc1)NCc1cccnc1 59461593 ITRIOAZKJRUCFO-YBFXNURJSA-N 297.318 0.633 50 40 CCGB COc1cccc(/C=N/NC(=O)C[N+](C)(C)C)c1O 1847300 YDDUDDCXLBOZBM-UHFFFAOYSA-O 266.321 0.557 50 40 CCGB Cc1ccc(S(=O)(=O)Sc2nncn2N)cc1 1099572 ABFUXHDWOJIUNW-UHFFFAOYSA-N 270.339 0.781 50 40 CCGB O=C(NC(=S)NNC(=O)c1ccco1)c1cccnc1 2316660 SQIRQFMMWGASBU-UHFFFAOYSA-N 290.304 0.624 50 40 CCGB Cc1c(C(=O)NN)sc2nc3n(c(=O)c12)CCC3 16755293 ZOXOEHWPPGZIBZ-UHFFFAOYSA-N 264.310 0.316 50 40 CCGB C[C@@H](CC(=O)O)CC(=O)NNC(=O)Cc1ccccc1 26807907 RYTIHVIBLMDRIJ-SNVBAGLBSA-N 278.308 0.877 50 40 CCGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(N)=O 213091750 ZWYKLBRZHXLFIJ-YVMONPNESA-N 260.209 0.697 50 40 CCGB N=C(N)NNC(=O)C(F)(F)C(F)(F)C(F)(F)F 19991349 UROJGTAWXQQYQK-UHFFFAOYSA-N 270.108 0.334 50 40 CCGB O=C(CCl)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 495101 HMZILUGWVSCMJF-MWLCHTKSSA-N 288.687 0.344 50 40 CCGB Cn1nc(C(=O)NN)c(Br)c1C(F)(F)F 2559436 BPSXQIKGHPFXQR-UHFFFAOYSA-N 287.039 0.805 50 40 CCGB CN(C)c1ccc(/C=N\NC(=O)CN2CCOCC2)o1 59246501 YCMMKHSSQNRLON-ZROIWOOFSA-N 280.328 0.128 50 40 CCGB N/C(=N\NC(=O)c1ccccc1N)c1ccncc1 46085287 NQQKJMGWDPRSMT-UHFFFAOYSA-N 255.281 0.714 50 40 CCGB Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2ccncc2)n1 482948 PVJJITGSQRSOTQ-AWNIVKPZSA-N 274.240 0.487 50 40 CCGB NC(=O)C(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 3471926 JZWKQNIAPAZOFF-SXUHSURCSA-N 262.225 0.195 50 40 CCGB O=C1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)=NN1 6087882 KDQLUTMSSUXXSN-UHFFFAOYSA-N 294.698 0.367 50 40 CCGB COc1ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc1 100926840 JHRBEIOILFPSIU-SREVYHEPSA-N 264.237 0.097 50 40 CCGB C=CCN1C(=O)/C(=C/NNC(=O)CCCC)C(=O)N=C1O 6782942 BIHIXNIJVAGYEF-CMDGGOBGSA-N 294.311 0.150 50 40 CCGB COc1ccc(CC(=O)NNC(=O)c2cc(C)n[nH]2)cc1 15997857 XZADMHQDAQODNT-UHFFFAOYSA-N 288.307 0.730 50 40 CCGB Cc1n[nH]c2c1[C@H](c1cnn(C)c1)C(C#N)=C(N)O2 6658542 RGHJCSSFQJEELF-SNVBAGLBSA-N 256.269 0.670 50 40 CCGB C[C@@H]1CN(S(=O)(=O)CBr)C[C@@H](C)O1 162813 NNFVNCIFRWPQSK-RNFRBKRXSA-N 272.164 0.778 50 40 CCGB O=C(NCCCl)NCc1n[nH]c(=O)c2ccccc12 5313525 YWVIFIFVGNYJQW-UHFFFAOYSA-N 280.715 0.961 50 40 CCGB Cn1cc(C(=O)N/N=C/c2ccccn2)ccc1=O 195732 OQXPWNKBYFRXPV-OVCLIPMQSA-N 256.265 0.544 50 40 CCGB N#CC1=C(N)NC(=S)[C@H](C(N)=O)[C@H]1c1ccccc1 48843 OYQDXAAMRAEMKX-UWVGGRQHSA-N 272.333 0.496 50 40 CCGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccco1 7783818 DIDIWWOIPTXHQM-RIYZIHGNSA-N 261.237 0.639 50 40 CCGB COC(=O)CCC(=O)NNC(=O)Cc1ccc(OC)cc1 4550572 NIVIAVYDXXWEJH-UHFFFAOYSA-N 294.307 0.338 50 40 CCGB CCO[C@@H]1NC(C#N)=C(C#N)N(CC)[C@H]1OCC 33821715 MLGFVMNLADXPSR-RYUDHWBXSA-N 250.302 0.895 50 40 CCGB CN(C)CCCn1c(CCl)cnc1S(C)(=O)=O 47219306 MBLKODDBQMVQSA-UHFFFAOYSA-N 279.793 0.977 50 40 CCGB O=NN(CCF)C(=O)NC1CCS(=O)(=O)CC1 4963433 LKCXGNNLVAZPIG-UHFFFAOYSA-N 267.282 0.226 50 40 CCGB CCOc1ccc(C)cc1CC(=O)NNC(N)=S 20134124 UBZUZDJQXKIIHB-UHFFFAOYSA-N 267.354 0.801 50 40 CCGB COc1cccc(/C=N\NC(=O)c2cnccn2)c1O 13893869 ZRUBMUPYAHQRPT-APSNUPSMSA-N 272.264 0.955 50 40 CCGB CCOC(=O)C[C@@H](NCCCl)C(=O)OCC 31923553 OGMGSWZJXRSUJG-MRVPVSSYSA-N 251.710 0.700 50 40 CCGB C=C(C)CNC(=S)NNC(=O)c1cccnc1 6262232 BMCLYOBYZCFQLW-UHFFFAOYSA-N 250.327 0.767 50 40 CCGB CN(C)NC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100834797 BSQCBMNZERMVKI-CHWSQXEVSA-N 252.314 0.544 50 40 CCGB Cn1cccc1C(=O)NNC(=O)COc1ccc(C#N)cc1 32971582 XAAAXWMTCQLPFU-UHFFFAOYSA-N 298.302 0.737 50 40 CCGB COc1ccc(/C=C2\C(=N)N(N)C(=O)C(C#N)=C2N)cc1 16215877 WEBYDBZEENHVJW-GDWDSQERSA-N 283.291 0.508 50 40 CCGB Cc1cc(-c2ncn([C@@H]3CCCCO3)n2)ccc1B(O)O 642882559 MEROOJOPIVJFGT-ZDUSSCGKSA-N 287.128 0.632 50 40 CCGB Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1-c1ccccc1 11566814 ULANNAKTZWDMDA-UHFFFAOYSA-N 279.683 0.530 50 40 CCGB C/C(=N\NC(=O)CN1CCOCC1)c1ccccc1 17313007 CQCPDGAQQVRQFP-NTCAYCPXSA-N 261.325 0.859 50 40 CCGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cc[n+]([O-])cc1 5738903 JBVTTYWYGMPHMW-UHFFFAOYSA-N 282.259 0.406 50 40 CCGB N#CC1=C(N)NC(S)=C(C(N)=O)[C@@H]1c1ccccc1F 1058437 OQFRSIITHRDLIF-SECBINFHSA-N 290.323 0.833 50 40 CCGB CSc1nc(C)c(CCC(=O)NNC(C)=O)c(C)n1 47830181 LPQCCGKVKZFFFQ-UHFFFAOYSA-N 282.369 0.915 50 40 CCGB CNC(=O)/C(C#N)=C/c1ccc2c(c1)n(C)c(=O)n2C 44928748 JHIADHAEUHREQK-UXBLZVDNSA-N 270.292 0.530 50 40 CCGB CN(C)c1nc(OCCCl)nc(N2CCOCC2)n1 5274368 XBXRCWYXBOCJPL-UHFFFAOYSA-N 287.751 0.392 50 40 CCGB CNC(=S)NNC(=O)CC(=O)Nc1ccccc1OC 4739058 LWVFWBJDYYWALM-UHFFFAOYSA-N 296.352 0.149 50 40 CCGB OCCOCCOCCI 34361556 TZNNPQMNZJJAJR-UHFFFAOYSA-N 260.071 0.447 50 40 CCGB Cc1nnc(NNC(=O)c2ccccc2F)nc1O 11335121 IRLTZZNJIDWEKL-UHFFFAOYSA-N 263.232 0.782 50 40 CCGB CCOC(=O)NNC(=O)c1cnn2c(C)cc(C)nc12 32795748 MZIBWNZVSBDKIP-UHFFFAOYSA-N 277.284 0.737 50 40 CCGB N#C/C(N)=C(C#N)/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 100942468 DDXICRIRDVJOPD-BQFXJFDPSA-N 285.219 0.960 50 40 CCGB NC1=N/C(=N\NC(=O)c2ccncc2)c2ccccc21 4801691 BWRFNJLSHRWTTG-UHFFFAOYSA-N 265.276 0.892 50 40 CCGB Cc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1 66057378 RTDAVNQHHISGSP-UHFFFAOYSA-N 261.325 0.837 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(C)cc1 5543161 BLUZKWLVUZQQFU-MHWRWJLKSA-N 277.324 0.598 50 40 CCGB CC(C)C(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 411374 ZICJXBUCFXXNPB-UHFFFAOYSA-N 288.311 0.144 50 40 CCGB CC(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccccc1 27575671 CQRXQWRBEDFXOB-SNVBAGLBSA-N 278.312 0.141 50 40 CCGB CCO[C@@H]1NC(C#N)=C(C#N)N(CC)[C@@H]1OCC 19626591 MLGFVMNLADXPSR-NWDGAFQWSA-N 250.302 0.895 50 40 CCGB O=C(N/N=C\C=N/NC(=O)c1cccnc1)c1cccnc1 4679850 ALPAPCPGOUFSRP-MZAUSLISSA-N 296.290 0.608 50 40 CCGB COc1ccnc(NNC(=O)c2cccnc2OC)n1 58744874 DMKNHJJCUKQOCS-UHFFFAOYSA-N 275.268 0.646 50 40 CCGB Cc1ccc(C(=O)NNC(=O)C2=NNC(=O)CC2)cc1 5858859 DAIKZFXATNBSON-UHFFFAOYSA-N 274.280 0.022 50 40 CCGB COc1ccc2oc(=O)c(C(=O)NNC(N)=S)cc2c1 36636272 SBQBMDYJBDUJJS-UHFFFAOYSA-N 293.304 0.280 50 40 CCGB CCOC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167612 WQRNCRNYZPKVPS-RITPCOANSA-N 257.764 0.302 50 40 CCGB COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1OC 3095407 PKUYIJSQDNQNFZ-OREIZAMCSA-N 252.270 0.535 50 40 CCGB Cc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)o1 32257315 PAGFXUYWCCVTOI-MLRMMBSGSA-N 264.281 0.928 50 40 CCGB COCCNC(=O)CC(=O)N/N=C/c1cccs1 3062029 CXISSWMJRCIHGT-MDWZMJQESA-N 269.326 0.351 50 40 CCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(O)cc1 7812980 ZDEHOJFGIARGGB-OVCLIPMQSA-N 263.297 0.615 50 40 CCGB O=C(CC1(C(=O)O)CCCC1)NNC(=O)C1CC1 16479324 ALMTZMKNWUKABQ-UHFFFAOYSA-N 254.286 0.579 50 40 CCGB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NN)cc1 223468706 VFHDIUUSZHISAO-UHFFFAOYSA-N 299.396 0.640 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1 13059171 MEPNGOFFFDGIAA-UHFFFAOYSA-N 286.309 0.350 50 40 CCGB CNC(=S)NNC(=O)c1c(C)nc2ccccn12 6210565 ITGZSDVTPMDENH-UHFFFAOYSA-N 263.326 0.381 50 40 CCGB O=C(N[C@@H]1C=CS(=O)(=O)C1)OC[C@H](Cl)CCl 59568576 JQJKMELGQCHPGK-RNFRBKRXSA-N 288.152 0.870 50 40 CCGB COCC(=O)N/N=C1\C(=O)Nc2ccc(Cl)cc21 223741498 GNFVEKVRVGQYHW-UHFFFAOYSA-N 267.672 0.759 50 40 CCGB NNC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1 41154302 QMHBQTHCBAJGCL-UHFFFAOYSA-N 288.307 0.782 50 40 CCGB CCCn1nnnc1NC(=S)NC(=O)CCCCl 6462578 NKQDZNSBOKEVDX-UHFFFAOYSA-N 290.780 0.915 50 40 CCGB Cc1ccccc1C(=O)NNC(=O)CCC(=O)O 4178030 DSRNODSTDLPDOB-UHFFFAOYSA-N 250.254 0.621 50 40 CCGB C[C@H](O)[C@H](I)S(C)(=O)=O 96519212 GWTXRLRGUSNYSE-IUYQGCFVSA-N 264.084 0.173 50 40 CCGB CCCNC(=O)C(=O)N/N=C/c1cc(OC)ccc1OC 6430240 GXGKWMCHQSDBCD-CXUHLZMHSA-N 293.323 0.680 50 40 CCGB O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C/c1ccc(O)cc1 542246 FEJNMZOLPNFRMC-WLRTZDKTSA-N 289.251 0.647 50 40 CCGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1 583634 JBSDAPGNSUTTPD-JTQLQIEISA-N 296.286 0.590 50 40 CCGB CC[C@@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9575432 LPTMDSYLRLZOTE-CSMHCCOUSA-N 253.751 0.553 50 40 CCGB COc1cccc(/C=N/NC(=O)c2ccc(=O)[nH]n2)c1O 13638700 WGOHPPXXDNTAIU-VGOFMYFVSA-N 288.263 0.248 50 40 CCGB C=CCNC(=O)NNS(=O)(=O)c1ccccc1 6562641 DXGTVKAOQUVRGY-UHFFFAOYSA-N 255.299 0.365 50 40 CCGB CC(C)(C)C(=O)NC[C@]12CC[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12 100396575 BSWSJVMFUHCYLY-GMAGZHIISA-N 281.308 0.396 50 40 CCGB COc1cc(CO)c(C2(C(=O)NN)CCCC2)cc1OC 330457 UYZLKVQAOOTUQT-UHFFFAOYSA-N 294.351 0.998 50 40 CCGB O=C[C@H](Cl)P(=O)(N1CCOCC1)N1CCOCC1 501138 IOUXCLUCHATUGT-SNVBAGLBSA-N 296.691 0.608 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccccn2)n1 8292258 IALCIRBLKGCGCR-UHFFFAOYSA-N 273.296 0.356 50 40 CCGB O=C(NNC(=O)[C@H]1CCCO1)c1ccc2c(c1)OCO2 27601227 PVZKXMOHFXHUHJ-SNVBAGLBSA-N 278.264 0.355 50 40 CCGB CN(C(=O)CBr)[C@@H]1CC[S@@](=N)(=O)C1 725352852 ZYFMNPVKTQDKIC-CAAJLBCPSA-N 269.164 0.659 50 40 CCGB CC(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 2690757 BBOVDQVGSLAASG-UHFFFAOYSA-N 282.281 0.250 50 40 CCGB Nc1nonc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 59503367 XXGLBTJCSHQRIC-UUILKARUSA-N 292.211 0.030 50 40 CCGB O=[P@@]1(N(CCCl)CCCl)N[C@H](CO)CO1 1557725 VJROFXNBYFQPON-MLXNANBUSA-N 277.088 0.855 50 40 CCGB CC(C)(SSC(C)(C)[C@H](N)C(=O)O)[C@H](N)C(=O)O 1562117 POYPKGFSZHXASD-PHDIDXHHSA-N 296.414 0.749 50 40 CCGB Cc1ccc(C(=O)NC(=S)NNC(=O)CC#N)cc1 2064459 LRIQZFOZSQNHBX-UHFFFAOYSA-N 276.321 0.544 50 40 CCGB CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(OC)cc1 6401346 BBBOOVACRBYCOR-VIFPVBQESA-N 297.380 0.978 50 40 CCGB O=C(N/N=C/c1cccc(O)c1)C(=O)NC1CCCC1 59434279 JWPUOTPKAVIQSN-OQLLNIDSSA-N 275.308 0.901 50 40 CCGB CC(C)C(=O)NNS(=O)(=O)c1c(F)cccc1F 10109426 WDDLCJSRPOQVRG-UHFFFAOYSA-N 278.280 0.930 50 40 CCGB NNC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3 1618381 NRGLGDVZXVPMOJ-UHFFFAOYSA-N 265.357 0.697 50 40 CCGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/C(=O)O)cc1 6845631 NGXACRLIEDSDCJ-JARNTUPDSA-N 292.291 0.551 50 40 CCGB CC(C)CC(=O)NNC(=O)/C=C/c1ccnn1C 36396051 CISYCWHFDXQYMD-SNAWJCMRSA-N 250.302 0.627 50 40 CCGB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)C1CC1 58781353 YMVFWIVFRVIQOD-SSDOTTSWSA-N 264.329 0.698 50 40 CCGB Cc1ccc(/C=N/NC(=O)c2cnc[nH]c2=O)cc1 3124192 YFEBCWPXILIIEI-OMCISZLKSA-N 256.265 0.842 50 40 CCGB C/C(=N\NC(=O)C(N)=O)c1cccc(Br)c1 17009137 FXUUIFLQAFMRKP-AWNIVKPZSA-N 284.113 0.775 50 40 CCGB CC(=O)OC1=C[C@]2(OC(C)=O)C[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104130698 MGEWFWRXHZVKCP-OJPPFWEXSA-N 280.232 0.085 50 40 CCGB COc1ccc(C(=O)NN)cc1I 4551011 OIVVKVDRYMBKNJ-UHFFFAOYSA-N 292.076 0.903 50 40 CCGB NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 4702342 JXQWYOBEUYMFCD-SSDOTTSWSA-N 298.140 0.792 50 40 CCGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(N)=S 39334966 SFHGTEPABCZFST-UITAMQMPSA-N 261.306 0.744 50 40 CCGB O=C(C[n+]1ccccc1)N/N=C/c1ccccc1C(=O)O 2705277 IVFAWITYBRZWIV-MHWRWJLKSA-O 284.295 0.823 50 40 CCGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cnccn1 532909 HQDBBZAZHBOQLX-UHFFFAOYSA-N 296.283 0.239 50 40 CCGB Cc1cc(-c2ncn([C@H]3CCCCO3)n2)ccc1B(O)O 642882558 MEROOJOPIVJFGT-CYBMUJFWSA-N 287.128 0.632 50 40 CCGB CNC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 7060019 TYIGMKJMFDGRHF-UHFFFAOYSA-N 254.271 0.334 50 40 CCGB COCCNC(=O)C/C(C)=N/NC(=O)c1ccccc1N 100571728 PDAWDQMQXNXMIJ-LICLKQGHSA-N 292.339 0.527 50 40 CCGB COCCNC(=O)/C(C#N)=C\c1ccc(O)c(O)c1 6372306 JYLGANHWWJBRJP-POHAHGRESA-N 262.265 0.767 50 40 CCGB O=C(CCl)N(C1=NCCC1)[C@@H]1CCS(=O)(=O)C1 217379352 NMBIHFSWWLQOMJ-MRVPVSSYSA-N 278.761 0.433 50 40 CCGB O=C(CCl)N(c1ncccn1)[C@H]1CCS(=O)(=O)C1 40177555 KSUMJTZQIVWZOV-QMMMGPOBSA-N 289.744 0.236 50 40 CCGB NC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16384536 XHWQXMKVIUNMNG-UHFFFAOYSA-N 258.621 0.561 50 40 CCGB CCNC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59371715 LITVXUITSHKLKK-NTUHNPAUSA-N 264.241 0.181 50 40 CCGB CCn1cc(Cl)c(C(=O)NNC(=S)NC2CC2)n1 2787997 CKONWGFVBBGTGB-UHFFFAOYSA-N 287.776 0.828 50 40 CCGB CCOC(=O)N[C@@H](C(=O)NNC(=O)C1CC1)C(C)C 48078872 DZVXBKMMPQVPKS-SECBINFHSA-N 271.317 0.315 50 40 CCGB O=C(CCl)N1CCN(C(=O)c2ccco2)CC1 3289266 IQJDVCLXAFDOBI-UHFFFAOYSA-N 256.689 0.803 50 40 CCGB COc1cc(C(=O)NNC(=O)c2cnccn2)ccc1C 12841672 MKOTXHIHGLFVBY-UHFFFAOYSA-N 286.291 0.868 50 40 CCGB CC(=O)c1cc(Br)c(F)c(B(O)O)c1 725343262 NGNLLFHOCHZLIA-UHFFFAOYSA-N 260.855 0.471 50 40 CCGB CCOC(=O)[C@@H]1[C@H](C(=O)NN)[C@H]1C(=O)Nc1ccccc1 12859626 AVIACSDETLXKIL-MXWKQRLJSA-N 291.307 0.040 50 40 CCGB COc1c(/C=N\NC(N)=O)c(OC)c(OC)c2c1CCO2 17313661 WKWJJRZYLHOQJI-UUASQNMZSA-N 295.295 0.650 50 40 CCGB COc1ccc(/C=N/NC(=O)[C@H](C)O)c(OC)c1 59515359 NFMYNZQSPRYYKN-MTDSNMTDSA-N 252.270 0.535 50 40 CCGB N#C/C(N)=C(C#N)\N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 100942462 DDXICRIRDVJOPD-QFYRFVJTSA-N 285.219 0.960 50 40 CCGB Cc1nnc(NNC(=O)Cc2ccccc2)nc1O 22854128 SKICSLVCFPGCPJ-UHFFFAOYSA-N 259.269 0.571 50 40 CCGB O=C(N/N=C/c1ccccc1O)c1cc[n+]([O-])cc1 1464937 USUPRAKYGXUILQ-NTEUORMPSA-N 257.249 0.790 50 40 CCGB Cc1nc(-n2nc(C)c(C(=O)NN)n2)ccc1Cl 89263615 OMAOXFUSQVOTPT-UHFFFAOYSA-N 266.692 0.536 50 40 CCGB C[C@H]1C(C#N)(C#N)C(C#N)=C(N)[C@@]1(Cl)[N+](=O)[O-] 19831209 CWRGCDKIXIGGAV-CDUCUWFYSA-N 251.633 0.618 50 40 CCGB O=C1O[C@@H]2[C@@H](I)[C@H]3C[C@@H]2[C@@H]1[C@@H]3CO 4114148 PSTGDDPSSSCMBH-BZFXHQDJSA-N 294.088 0.590 50 40 CCGB CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 9575339 UXDZSWGSDWXXLZ-HTQZYQBOSA-N 253.751 0.697 50 40 CCGB CCOC(=O)/C=C(/C=N/NC(N)=O)C(F)(F)F 65734194 FBHKYTHJLYPZMO-OHOMROLUSA-N 253.180 0.692 50 40 CCGB in-vitro CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)CCO2 32679007 SPVIZNOBYUUIIU-UHFFFAOYSA-N 298.364 0.977 50 40 CCGB CC1=C(C#N)C(=O)N(CCO)C(=O)[C@H]1CN1CCCCC1 1461702 QOVXBRXCCXPAMG-ZDUSSCGKSA-N 291.351 0.290 50 40 CCGB O=C(CCl)N[C@H]1CCCc2c1cnn2CCO 37000280 UREQHJJZRUAOPP-VIFPVBQESA-N 257.721 0.608 50 40 CCGB NNC(=O)c1cc(I)c[nH]1 22995867 PPHKIIUANOYQMC-UHFFFAOYSA-N 251.027 0.223 50 40 CCGB COCCNC(=S)NNC(=O)Nc1ccccc1 7062375 BNBPJDHWFSVEOT-UHFFFAOYSA-N 268.342 0.834 50 40 CCGB NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O 3526881 CNAVLHXQDOVEEH-UUILKARUSA-N 286.085 0.090 50 40 CCGB COc1cccc(C(=O)NNc2nnc(C)c(O)n2)c1 23310259 HLWBCHAFNXKKPJ-UHFFFAOYSA-N 275.268 0.651 50 40 CCGB Cc1nnc(SCC(=O)NNC(=O)c2ccco2)s1 23078469 YOULORUNGPAQAB-UHFFFAOYSA-N 298.349 0.993 50 40 CCGB COc1cc(/C=N/NC(=O)CC#N)cc([N+](=O)[O-])c1O 36213698 ITLIDJJSPQISGC-AWNIVKPZSA-N 278.224 0.673 50 40 CCGB C/C(Cc1ccccc1)=N\NC(=O)c1c[nH]c(=O)[nH]c1=O 5288878 ABNOLWWOZSRXLQ-RQZCQDPDSA-N 286.291 0.412 50 40 CCGB C/C(=N\NC(N)=O)[C@]1(C)C[C@]2(CC(C)(C)OC2=O)C(=O)O1 4497893 XUZRWPYILFNIRR-GTDURTQESA-N 297.311 0.448 50 40 CCGB COc1ccc(C=NNC(=O)c2nonc2N)cc1OC 13110407 YHEPTPWHVHVFME-UHFFFAOYSA-N 291.267 0.433 50 40 CCGB CCOC(=O)N(CCN(C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-] 1668649 PEXBHYSDEISBRM-UHFFFAOYSA-N 294.220 0.287 50 40 CCGB C=CCNC(=S)NNC(=O)[C@@H](C)CN1CCCCC1 4951199 AXYHWRKEOCATCL-NSHDSACASA-N 284.429 0.790 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 7784094 ZFVYVBWQRMMGAI-CXUHLZMHSA-N 289.291 0.226 50 40 CCGB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NN 62719947 WWHLCKVIKIZPFA-UHFFFAOYSA-N 251.677 0.833 50 40 CCGB CCOC(=O)C(=O)NNc1ncnc2ccccc12 9491868 VNPARTIQTJCAHE-UHFFFAOYSA-N 260.253 0.636 50 40 CCGB Cn1nccc1/C=N\NC(=O)c1cc(O)cc(O)c1 32577823 HWSITBWIYJWHML-QPEQYQDCSA-N 260.253 0.595 50 40 CCGB Cc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)no[n+]1[O-] 175672 KPNQDFLNULYALI-RIYZIHGNSA-N 289.295 0.446 50 40 CCGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccco1 5769574 AEMZZVXFXNECQK-MKHNBGRSSA-N 292.291 0.788 50 40 CCGB Nc1nc(C(=O)N/N=C/C=C/c2ccccc2)n[nH]1 6227397 JHUOTAODMQORPC-CUJDEGIUSA-N 256.269 0.816 50 40 CCGB CC1=CC2(C)[C@H]3C(=O)OC(=O)[C@@H]3C1[C@H]1C(=O)OC(=O)[C@@H]12 95749417 VPEBWHJXHKKKRE-QGKOBHIOSA-N 276.244 0.214 50 40 CCGB Cc1cc(-c2ncn([C@H]3CCCCO3)n2)ncc1B(O)O 642882555 LRWJTNSMXXKZSN-GFCCVEGCSA-N 288.116 0.027 50 40 CCGB O=[P@]1(N(CCCl)CCCl)N[C@H](CO)CO1 5437115 VJROFXNBYFQPON-KWKYVRJSSA-N 277.088 0.855 50 40 CCGB COc1ccc(CCCC(=O)N[C@H](C)C(=O)NN)cc1 5881183 WXXRULAWKKNESU-SNVBAGLBSA-N 279.340 0.513 50 40 CCGB O=C(CCl)Nc1ccc(C(=O)Nn2cnnc2)cc1 14405748 MSHAFYLQLGWETN-UHFFFAOYSA-N 279.687 0.839 50 40 CCGB O=C(N/N=C/c1cccnc1)C(=O)NC1CCCCC1 59516127 RISKBBAWRKYVFF-MHWRWJLKSA-N 274.324 0.981 50 40 CCGB CC(=O)OC1=C[C@]2(OC(C)=O)C[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 104130704 MGEWFWRXHZVKCP-QYVSTXNMSA-N 280.232 0.085 50 40 CCGB C/C(=N\NC(N)=O)[C@]1(C)C[C@@]2(CC(C)(C)OC2=O)C(=O)O1 4497888 XUZRWPYILFNIRR-FAXVFLOLSA-N 297.311 0.448 50 40 CCGB O=C(CCl)Oc1nsnc1N1CCOCC1 16125341 DTJSHZDMNOSEFR-UHFFFAOYSA-N 263.706 0.519 50 40 CCGB C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(N)=O 16957742 FBTUIVCIEVWLJG-VGOFMYFVSA-N 279.256 0.968 50 40 CCGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1F 5511619 WYQFDDWAIKEZNJ-CXUHLZMHSA-N 281.287 0.429 50 40 CCGB C=CCNC(=S)NNC(=O)COc1ccc(OC)cc1 6490675 QGGVFCOHUXXRIS-UHFFFAOYSA-N 295.364 0.755 50 40 CCGB COC(=O)c1c(NC(=O)CBr)c(C)nn1C 72220849 JEHCRRBWWFLFRN-UHFFFAOYSA-N 290.117 0.849 50 40 CCGB CS(=O)(=O)N(CC(=O)NN)Cc1ccc(Cl)cc1 6175046 JXCWGAMXWYFPKK-UHFFFAOYSA-N 291.760 0.092 50 40 CCGB CCn1c(=O)c(/C=N/NC(N)=O)c(O)c2ccccc21 103506703 QPLHEJUWIRLDQO-VIZOYTHASA-N 274.280 0.729 50 40 CCGB NNC(=O)c1ccc(CSc2nnc(O)nc2O)cc1 13597880 VJJGMUCWTYUBAM-UHFFFAOYSA-N 293.308 0.179 50 40 CCGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccccc1O 1880754 YCJRHWPOFCIUSO-LZYBPNLTSA-N 287.275 0.865 50 40 CCGB CCC(=O)NC(=S)NNC(=O)c1ccccc1O 2064443 BDQFOAQYRHYBMP-UHFFFAOYSA-N 267.310 0.438 50 40 CCGB NNC(=O)c1ccn(COc2ccc(F)cc2)n1 2535626 LPHQTVZREVYEAC-UHFFFAOYSA-N 250.233 0.662 50 40 CCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59503541 GZPMFVOYLPUXFB-RIYZIHGNSA-N 292.295 0.960 50 40 CCGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)CC#N 517565 KMJGWAUOTXKUNO-LBPRGKRZSA-N 291.263 0.407 50 40 CCGB biogenic Cn1cccc1C(=O)NNC(=O)Cn1cnc2ccccc21 10037816 MSWPNVPHSUXFRG-UHFFFAOYSA-N 297.318 0.836 50 40 CCGB CC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCCO2 95950233 AHGDBIFQSOOKOK-UHFFFAOYSA-N 286.309 0.177 50 40 CCGB C[C@H]1CN(C)[C@@H](C)[C@H](/C=C(\C#N)C(N)=S)C1=O 105296070 DDJDOUUUOIGZKM-GCNSBSJISA-N 251.355 0.878 50 40 CCGB CCNC(=S)NNC(=O)COc1cccc(C)c1 5795327 PNDSUMXJHCWJLD-UHFFFAOYSA-N 267.354 0.889 50 40 CCGB O=C(CCl)N(CCCCCO)[C@@H]1CCS(=O)(=O)C1 40177604 UGLHHUOMGVQDQE-SNVBAGLBSA-N 297.804 0.404 50 40 CCGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 3059210 XLNLESKABXOENK-NTEUORMPSA-N 290.279 0.667 50 40 CCGB COc1ccc(O)c(/C=N/NC(=O)c2ccc(O)nn2)c1 547247 RTFILTBTDXDZDA-VGOFMYFVSA-N 288.263 0.660 50 40 CCGB NNC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 5731715 SLDYNRWHWJWHAE-UHFFFAOYSA-N 274.309 0.588 50 40 CCGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C2CC2)c1C 8735439 KEZDPJIBBULTNB-UHFFFAOYSA-N 279.296 0.589 50 40 CCGB NNC(=O)Cc1nnc(-c2cccc(Cl)c2)o1 67341905 QVBDTTCEKAGMLS-UHFFFAOYSA-N 252.661 0.922 50 40 CCGB O=C1c2ccccc2C(=O)N1OC[C@H](O)CCl 38955025 SGHASOCVCWTLCE-SSDOTTSWSA-N 255.657 0.814 50 40 CCGB CCCCNC(=S)NNC(=O)CCn1cc(C)cn1 8855130 BHVPORGALVOMEH-UHFFFAOYSA-N 283.401 0.877 50 40 CCGB Cc1ccc(-n2nc(NC(=O)NN)c(C)c(C#N)c2=O)cc1 5546439 RWWDCEQUUMLERX-UHFFFAOYSA-N 298.306 0.716 50 40 CCGB Cc1cccc(/C=N/NC(=O)[C@@H]2CCCNC2=O)c1 376724 YTDQXQYFHJQCKM-GFQQVXNGSA-N 259.309 0.971 50 40 CCGB COC(=O)CCC(=O)NNC(=O)c1ccccc1C 4177976 VZNXKXNZKFKMRJ-UHFFFAOYSA-N 264.281 0.709 50 40 CCGB CN(C)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 20248857 YUNCLXRKVGUGAE-LFIBNONCSA-N 290.367 0.535 50 40 CCGB C[C@H]1CN(C)[C@@H](C)[C@@H](/C=C(\C#N)C(N)=S)C1=O 13401590 DDJDOUUUOIGZKM-VGHSAYIJSA-N 251.355 0.878 50 40 CCGB CC(C)NC(=O)CC(=O)N/N=C/c1cccc(O)c1 4117878 YLXSXJZXNGDDIK-RIYZIHGNSA-N 263.297 0.757 50 40 CCGB CCOC(=O)N[C@@H](CC(=O)NN)c1ccccc1 408979667 NWNZIMIWQBLCMB-JTQLQIEISA-N 251.286 0.854 50 40 CCGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)NC(N)=O 409235097 AHCFAGIKCONXOF-CLTKARDFSA-N 276.208 0.402 50 40 CCGB CC(=O)NNC(=O)CN1CCN(c2cccc(C)c2)CC1 12637987 VOOIFISYPPYTFE-UHFFFAOYSA-N 290.367 0.284 50 40 CCGB O=C(Cc1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 9486410 VYWMKGMBTQJGPV-MNOVXSKESA-N 287.768 0.750 50 40 CCGB COc1c2c(cc(/C=N/NC(N)=O)c1[N+](=O)[O-])OCO2 65336696 OIJAOLDVPAKROH-KGVSQERTSA-N 282.212 0.334 50 40 CCGB N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])C(=O)NC(N)=O 409223228 DSILQSKTOUZWKB-CLTKARDFSA-N 276.208 0.402 50 40 CCGB COc1ccc(/C=N\NC(=O)c2nonc2N)cc1 33282068 UUOVTFIABKOCKV-MLPAPPSSSA-N 261.241 0.424 50 40 CCGB N#CCC(=O)NN=Cc1cn(O)c2ccccc2[n+]1=O 604939943 KROIASAZEWXANU-UHFFFAOYSA-O 272.244 0.157 50 40 CCGB NNC(=O)C/C(N)=N\Nc1cc(Cl)ccc1[N+](=O)[O-] 16385162 FFHWCYCPXJLFSE-UHFFFAOYSA-N 286.679 0.312 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2ccco2)s1 33012 GIEPKZUKIHMNKQ-VZUCSPMQSA-N 251.271 0.406 50 40 CCGB O=C1NN=C[C@@H]1C(=O)N/N=C/c1ccccc1C(F)(F)F 100948889 MGXDMAXTCATTGE-GDHHIONMSA-N 298.224 0.887 50 40 CCGB CC(C)(C)NC(=O)C(=O)NNC(=O)c1cccc(F)c1 3663936 DGLNRVVEIHCCLC-UHFFFAOYSA-N 281.287 0.501 50 40 CCGB NNC(=O)CSc1nnc(-c2ccncc2)o1 4677296 XCAVFXKZBPJDOH-UHFFFAOYSA-N 251.271 0.214 50 40 CCGB CCOC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16129843 SAMVIAIQUOFPMX-UHFFFAOYSA-N 289.269 0.534 50 40 CCGB COc1cc(/C=N/NC(=O)CO)cc(OC)c1OC 59515969 GCBBUVNXGFLZIT-AWNIVKPZSA-N 268.269 0.155 50 40 CCGB COC(=O)NNS(=O)(=O)c1cc(OC)ccc1OC 7405555 RTKVBXURXQTYAC-UHFFFAOYSA-N 290.297 0.253 50 40 CCGB CCc1cc(C(=O)NNC(=O)CCC(=O)O)cs1 2749646 DMLXQEAIHVUNRK-UHFFFAOYSA-N 270.310 0.936 50 40 CCGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(C#N)cc2)n1 6427424 JNSGJQSDGXFVPQ-UHFFFAOYSA-N 297.318 0.833 50 40 CCGB CN(C)C(=O)[C@H]1CCCN1C(=O)CBr 72207530 SLLIGHNKZSTDIQ-SSDOTTSWSA-N 263.135 0.461 50 40 CCGB CCOC(=O)C1=C2SCC(=O)N2C(N)=C(C#N)C1 201396 CYKPGKUDUKNKBA-UHFFFAOYSA-N 265.294 0.434 50 40 CCGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccn1 100151634 JQKCAXXSWQWBBD-UQDQQJHMSA-N 259.269 0.044 50 40 CCGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccn1 59516098 BZFFOOGGQXKFLZ-XDHOZWIPSA-N 296.330 0.891 50 40 CCGB O=C(CCl)NC(=O)[C@@H]1COc2ccccc2O1 3326502 LCDIJIZNMXRADC-VIFPVBQESA-N 255.657 0.708 50 40 CCGB CCNC(=S)NNC(=O)COc1ccc(F)cc1 5795318 KMBANJVDMKJTCC-UHFFFAOYSA-N 271.317 0.720 50 40 CCGB COc1cc(C)cc2c(=O)ccn(CCC(=O)NN)c12 64874690 IEDDTCJPSOMZHQ-UHFFFAOYSA-N 275.308 0.699 50 40 CCGB O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@@H](O)CCl)C1 525908 IZUQCDFAYZCLQS-WOPDTQHZSA-N 282.771 0.867 50 40 CCGB Nc1nc(CC(=O)NNC(=O)c2ccc(F)cc2)cs1 256148 FVCXGSPSEWDETG-UHFFFAOYSA-N 294.311 0.868 50 40 CCGB CN(N=O)C(=O)NCCCCCNC(=O)N(C)N=O 5540529 CZFFBIAMHLPJJM-UHFFFAOYSA-N 274.281 0.802 50 40 CCGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc[n+]([O-])c1 3166729 LCSAPDSMUMQDQC-RIYZIHGNSA-N 286.247 0.992 50 40 CCGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cnccn1 2080897 LYRLJLOOHZEFCL-GIDUJCDVSA-N 287.235 0.854 50 40 CCGB CCOc1ccc2c(c1)c(=O)ccn2CC(=O)NN 72237255 ZWXNMLYJLXKKIC-UHFFFAOYSA-N 261.281 0.390 50 40 CCGB NNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 226300432 YZTNXHZSHFLBPJ-UHFFFAOYSA-N 260.047 0.961 50 40 CCGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc[n+]([O-])c1 3166743 LSMXENMWJLCOOH-VGOFMYFVSA-N 273.248 0.495 50 40 CCGB Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1 509997 MWEDQONNOYZIKC-AWNIVKPZSA-N 262.298 0.208 50 40 CCGB COC(=O)NNC(=O)Nc1cccc(C(=O)OC)c1 12813045 ZNXCRSARURJHAD-UHFFFAOYSA-N 267.241 0.866 50 40 CCGB COc1cc(C)cc2c(=O)ccn(CC(=O)NN)c12 64874697 FMXQWEJFLWCICU-UHFFFAOYSA-N 261.281 0.308 50 40 CCGB CCc1nc2nc(O)c(C(=O)CCl)c(N)n2n1 72415091 MZAVFTLHFJPKLC-UHFFFAOYSA-N 255.665 0.396 50 40 CCGB O=C(CN1CCOCC1)N/N=C\c1cccc(F)c1 33326610 BPOJHWFMGSDBMA-DHDCSXOGSA-N 265.288 0.608 50 40 CCGB O=C1c2nccnc2[C@@H](O)N1[C@@H]1CC[C@H](Cl)CN1 37261752 YJNRRXJWAKNWEG-NYNCVSEMSA-N 268.704 0.240 50 40 CCGB Cc1nnc(NNC(=O)c2ccc(F)cc2)nc1O 11335103 UJWHVINDMAXLLT-UHFFFAOYSA-N 263.232 0.782 50 40 CCGB CCOC(=O)N/N=C1\C(=O)N(CC(=O)O)c2ccccc21 2542389 NMSFKFQCVOLGRA-KAMYIIQDSA-N 291.263 0.568 50 40 CCGB Cn1cc(Cl)cc1C(=O)NNC(=O)C1CCOCC1 21840958 SDXBBRSIKBASSS-UHFFFAOYSA-N 285.731 0.866 50 40 CCGB N#CC(C#N)=C1NC(=O)C(c2ccccc2)C(=O)N1 1618111 WQIZWILKLBDFOD-UHFFFAOYSA-N 252.233 0.275 50 40 CCGB C[C@@H](Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 9428872 DFZNPPVFQVIWLO-ZCFIWIBFSA-N 262.718 0.900 50 40 CCGB COC(=O)CCCN1C[C@@H]2C=C(C#N)[C@H]1[C@@H](C(=O)OC)C2 5028990 YZVSUXLHDOLPGE-OSMZGAPFSA-N 292.335 0.883 50 40 CCGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(N)=O 102106431 OFSZRBXZDBPVLQ-VGOFMYFVSA-N 259.269 0.889 50 40 CCGB COCC(=O)NNC(=O)c1ccc(Br)s1 23160403 IVCRASKCHOGDTL-UHFFFAOYSA-N 293.142 0.918 50 40 CCGB C[C@]1(SC(=N)N)CS(=O)(=O)C[C@H]1Br 6471058 SFOVNEXOFWLOBN-XINAWCOVSA-N 287.204 0.564 50 40 CCGB COCC(=O)N/N=C(\C)CC(=O)NCc1ccco1 100613939 CLNGHATXEDDRFZ-NTEUORMPSA-N 267.285 0.424 50 40 CCGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NC(N)=O 409225814 LOLIWDZFQXFHAG-UITAMQMPSA-N 273.248 0.560 50 40 CCGB CCNC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 43466525 JWFBSMJEBKSFDI-UHFFFAOYSA-N 252.230 0.559 50 40 CCGB NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 5670375 AGDQWCCRVJKMCZ-YIXHJXPBSA-N 260.080 0.929 50 40 CCGB Cc1cc(C(=O)NNC(=O)CCC(=O)O)ccc1[N+](=O)[O-] 2784165 RQRMLHUBXMZFGL-UHFFFAOYSA-N 295.251 0.529 50 40 CCGB CC[C@H](C)C(=O)NNS(=O)(=O)c1c(C)noc1C 48654718 OVJKRKBSTOLQJZ-LURJTMIESA-N 275.330 0.647 50 40 CCGB CCN1C[C@H](c2cc(=O)[nH]c(CCl)n2)CC1=O 96528993 ZKCFXUJGCZYMLD-SSDOTTSWSA-N 255.705 0.845 50 40 CCGB C/C(=N\NC(N)=O)c1c(O)c2ccccc2n(C)c1=O 100362568 HFQSCUDKSKXJQR-VIZOYTHASA-N 274.280 0.636 50 40 CCGB CCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 68976087 XGLOTMYMJFDSGJ-UHFFFAOYSA-N 250.254 0.629 50 40 CCGB Cc1cc(C)nc(NNC(=O)c2cc(C)nn2C)n1 59733829 VNMMBELFFCFBJP-UHFFFAOYSA-N 260.301 0.892 50 40 CCGB COc1ccccc1/C=N/NC(=O)Cc1cc(O)n[nH]1 5880545 CCLNKQAQIHDXAT-RIYZIHGNSA-N 274.280 0.817 50 40 CCGB OB(O)c1ccc(OC(F)F)c(OC2CCC2)c1 170024457 VDMBUNAJYSYRJJ-UHFFFAOYSA-N 258.029 0.899 50 40 CCGB CCCNC(=S)NNC(=O)Cn1ccc(C)n1 2794328 NSJXDKAHNPVATM-UHFFFAOYSA-N 255.347 0.097 50 40 CCGB COc1ccc(-n2nc(C(=O)NN)c(C)c(C#N)c2=O)cc1 563213 VTFWHGQFQLGQJX-UHFFFAOYSA-N 299.290 0.025 50 40 CCGB Cc1ccc(/C=N/NC(=O)CSc2nncn2C)o1 525602 SSSHIMXWTZMRMR-LFYBBSHMSA-N 279.325 0.959 50 40 CCGB O=C(O)CN1CCC[C@H]1CI 79390381 VLGCPHBIQZVFCZ-LURJTMIESA-N 269.082 0.970 50 40 CCGB O=C(O)CCC(=O)NNC(=O)c1ccccc1O 3158945 QPOFIMGAIDWQGZ-UHFFFAOYSA-N 252.226 0.018 50 40 CCGB O=c1[nH]cc(CN(CCCl)CCCl)c(=O)[nH]1 53287620 DSNDKLPCPVXPMQ-UHFFFAOYSA-N 266.128 0.343 50 40 CCGB CCC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 9950362 MLLHJANZDDUHNE-UHFFFAOYSA-N 288.307 0.587 50 40 CCGB CC(=O)OC(=O)[C@H](NC(=O)[C@@H](N)CC(C)C)C(C)C 104209840 USACQMPRGKZFQG-WDEREUQCSA-N 272.345 0.590 50 40 CCGB CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(N)=O)cc1 408791112 UETWQKGCDLGTOV-KPKJPENVSA-N 287.319 0.982 50 40 CCGB O=C(CCl)N(C1=NCCC1)[C@H]1CCS(=O)(=O)C1 217379426 NMBIHFSWWLQOMJ-QMMMGPOBSA-N 278.761 0.433 50 40 CCGB Nc1nc(N)nc(N2CCC(Br)CC2)n1 90550501 WTDDQWHPLHQWRQ-UHFFFAOYSA-N 273.138 0.400 50 40 CCGB O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc(=O)oc1 18057668 VYWLDBZAVCHREI-DHHPTOIESA-N 276.292 0.837 50 40 CCGB NNC(=O)c1ccc(OCC(=O)N2CCCC2)cc1 226360680 LEUFDIWHJJLKIH-UHFFFAOYSA-N 263.297 0.291 50 40 CCGB CCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13622974 GGDYNMGFOUUAAU-LBPRGKRZSA-N 289.335 0.593 50 40 CCGB NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 103790 JOXCMOZCUIPBDM-MRVPVSSYSA-N 289.382 0.139 50 40 CCGB Cc1ccc(C(=O)NNC(=O)c2nccnc2N)s1 49044921 SXFJMXSTLOJBDW-UHFFFAOYSA-N 277.309 0.504 50 40 CCGB O=C(NNC(=O)C1CC1)c1ccc([N+](=O)[O-])s1 15794152 HSKAYWCNJWWPDD-UHFFFAOYSA-N 255.255 0.827 50 40 CCGB O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)C1CC1 26966898 FZUIGQKOEPBYNG-UHFFFAOYSA-N 276.292 0.558 50 40 CCGB COCCNc1ccc([N+](=O)[O-])cc1C(=O)NN 216939988 PEVOSZDSQIBCOS-UHFFFAOYSA-N 254.246 0.257 50 40 CCGB COCC(=O)N/N=C1\C(=O)Nc2c(F)cccc21 223760468 FXKRBIRMBXYDDM-UHFFFAOYSA-N 251.217 0.245 50 40 CCGB CS(=O)(=O)[C@H](I)C(=O)C1CC1 96517939 HGFWPESPJHFQQB-LURJTMIESA-N 288.106 0.771 50 40 CCGB NNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 111236774 MFLGNZGJZWUPKT-UHFFFAOYSA-N 262.225 0.512 50 40 CCGB O=C(O)CC/C(=N/NC(=O)NC1CCCCC1)C(=O)O 5754509 GVCJTYRWDVZTOM-ZROIWOOFSA-N 285.300 0.924 50 40 CCGB C[C@H]1CCc2c(sc(NC(=O)C(=O)NN)c2C#N)C1 15083622 BSKTXRFTVOKJQQ-LURJTMIESA-N 278.337 0.673 50 40 CCGB COc1ccc(/C=N/NC(=O)Cn2cncn2)cc1OC 547838 NEURSEQWXROMAX-GIDUJCDVSA-N 289.295 0.446 50 40 CCGB N#Cc1cn(CCC(=O)NN)nc1-c1ccccc1 26780163 UZZZNTWPABGRLR-UHFFFAOYSA-N 255.281 0.802 50 40 CCGB NNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 4201779 VCPZOEASIXWJPZ-UHFFFAOYSA-N 262.096 0.713 50 40 CCGB Nc1no[n+]([O-])c1C(=O)NN=C1CCCCCC1 5008387 QKIAXVCMOJQFJT-UHFFFAOYSA-N 253.262 0.330 50 40 CCGB O=CNN(C=O)C[C@H](Br)CBr 2387420 TXTGGXCOWZUUHE-RXMQYKEDSA-N 287.939 0.264 50 40 CCGB CCNC(=O)NNC(=O)COc1cccc(N(C)C)c1 408566882 IXBCOOUAYQCADZ-UHFFFAOYSA-N 280.328 0.482 50 40 CCGB C[C@@]1(c2ccccc2)C[C@H]1C(=O)NNC(=O)/C=C\C(=O)O 100715393 XNOVRFRGUGRHII-YXODANSRSA-N 288.303 0.752 50 40 CCGB CCCCCC[C@]1(/C=N\NC(N)=O)NC(=O)N(C)C1=O 17324201 QYUOODMTECMWFJ-UGMNDJHYSA-N 283.332 0.531 50 40 CCGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O 6295744 IUQLMHJSEXCGCS-VIZOYTHASA-N 281.699 0.798 50 40 CCGB CCCOc1ccc(C(=O)NNC(N)=S)cc1 26806836 HBOFFBKXBBILJP-UHFFFAOYSA-N 253.327 0.953 50 40 CCGB COCCNC(=S)NNC(=O)c1cccc(O)c1 7659165 GXCOAYNWFURRIZ-UHFFFAOYSA-N 269.326 0.148 50 40 CCGB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NN 108023355 OTKCMYKUFKZWFJ-SECBINFHSA-N 293.348 0.497 50 40 CCGB C[C@H]1CN(C(=O)NNC(=O)c2ccc(F)cc2)CCO1 49339566 JGSWIXRJUSCBBT-VIFPVBQESA-N 281.287 0.901 50 40 CCGB C/C(NNC(=O)c1ccccc1)=C1\C(=O)NC(=O)N=C1O 9087185 RQCDIYQHLIRPPC-UHFFFAOYSA-N 288.263 0.401 50 40 CCGB NNC(=O)[C@@H]1CN(C(=O)C2CC2)c2ccccc2O1 225329297 RQTKBBWWPSLGEN-NSHDSACASA-N 261.281 0.181 50 40 CCGB CC(=O)NN(C)c1c(C#N)c(C(F)(F)F)nn1C 1401779 LIVRIYUFSZXMBF-UHFFFAOYSA-N 261.207 0.798 50 40 CCGB Cc1cc(C)n2nc(C(=O)N/N=C\c3ccccn3)nc2n1 33287844 MHSGSJCSIHHFOJ-PXNMLYILSA-N 295.306 0.900 50 40 CCGB C=CCNC(=O)CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3062098 JVDOBLGLKGWISL-OQLLNIDSSA-N 290.279 0.737 50 40 CCGB COC(=O)N1[C@H]2C=C[C@H]([C@@H]3C(=O)OC(=O)[C@@H]32)[C@@H]1C 100674677 QTBGPQWMVFKTIF-VCQFTWBDSA-N 251.238 0.327 50 40 CCGB O=C(CCl)N([C@@H]1N=CN=N1)[C@@H]1CCS(=O)(=O)C1 217381037 FOAYRUXZAJDRNX-HTRCEHHLSA-N 278.721 0.019 50 40 CCGB O=C(C[C@@H]1CCCO1)NNC(=O)c1ccc2c(c1)OCO2 44939533 UUFUGXDAWONRJS-JTQLQIEISA-N 292.291 0.745 50 40 CCGB COCCOC(=O)NNC(=O)c1ccccc1N 255189599 QYXMEKMOFHNIMO-UHFFFAOYSA-N 253.258 0.286 50 40 CCGB O=C(NCCCl)OCCOC(=O)NCCCl 1652066 KZYQKQHHINQVSR-UHFFFAOYSA-N 273.116 0.916 50 40 CCGB Cc1[nH]c2ccccc2c1C[C@H](CC(=O)NN)C(=O)NN 2044978 CFMJZNALNVQDHX-SECBINFHSA-N 289.339 0.005 50 40 CCGB CCOC(=O)NNC(=O)COc1ccccc1F 21771528 TVCZHOJLFMMRFD-UHFFFAOYSA-N 256.233 0.982 50 40 CCGB COc1ccccc1N1CCS[C@H]1C(=O)NN 4550042 MLTNKXZJDVQYOJ-NSHDSACASA-N 253.327 0.564 50 40 CCGB O=C(O)CCCC(=O)NNC(=O)c1ccc(O)cc1 2370528 JEAYEQUGHZYDNH-UHFFFAOYSA-N 266.253 0.408 50 40 CCGB O=C(O)[C@H]1[C@@H](C(=O)O)[C@H]2C[C@H]1[C@H](Br)[C@@H]2O 100515708 HSXXTRKWGMTWDD-NYLBLOMBSA-N 279.086 0.162 50 40 CCGB COc1cccc(/C=N/NC(N)=O)c1O[C@@H](C)C(=O)O 409244456 CYZZFUSMJZUKDO-GYXDYACRSA-N 281.268 0.549 50 40 CCGB O=C(CO)OC[C@H](Br)C(F)(F)F 1083809754 CVMJYQBHIWQXRG-VKHMYHEASA-N 250.998 0.848 50 40 CCGB CCOC(=O)c1[nH]c(C)c(/C=N\NC(N)=O)c1C 17146673 NHURAFKRQHFROU-ACAGNQJTSA-N 252.274 0.810 50 40 CCGB CCNC(=S)NNC(=O)c1ccc(N(C)C)cc1 2154885 MTGBOFIHJMRTBC-UHFFFAOYSA-N 266.370 0.881 50 40 CCGB COC(=O)NNC(=O)C(=O)Nc1ccccc1C 96013256 FFABJTGAXOAODB-UHFFFAOYSA-N 251.242 0.321 50 40 CCGB CC(C)(C)NC(=O)C(=O)NNC(=O)c1ccccc1 4713739 GDELRDIYCJHDND-UHFFFAOYSA-N 263.297 0.362 50 40 CCGB CS(=O)(=O)NNC(=O)c1csc2c1CCCC2 6519955 QDOOPTPRKWAPPH-UHFFFAOYSA-N 274.367 0.821 50 40 CCGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccccc1 16215196 QNZWQKFMADNFOT-NSHDSACASA-N 279.365 0.975 50 40 CCGB O=S1(=O)CCc2[nH]nc(CBr)c2C1 72209759 PCNYDIVMDSWZDZ-UHFFFAOYSA-N 265.132 0.776 50 40 CCGB CC1(C)O[C@H]2O[C@@H]([C@@H]3CO[S@@](=O)O3)[C@H](Cl)[C@@H]2O1 5553415 QPZSWIPHRFNRLI-GYNJHQFWSA-N 284.717 0.464 50 40 CCGB CCOC(=O)/C=C\C(=O)NNC(=O)OC(C)(C)C 104192719 IUJMKEMQPKRIRK-SREVYHEPSA-N 258.274 0.662 50 40 CCGB C[C@H]1CC(C)(C)O[C@@H](c2ccc(B(O)O)cc2)O1 204243912 HOYCJVZQXAHXOS-CABZTGNLSA-N 250.103 0.969 50 40 CCGB CC(=O)OC(=O)[C@@H](NC(=O)[C@H](N)CC(C)C)C(C)C 104209835 USACQMPRGKZFQG-MNOVXSKESA-N 272.345 0.590 50 40 CCGB CCOc1cccc(C(=O)NNC(=O)/C=C/C(=O)O)c1 2789100 CURGLYLMGTVTPO-VOTSOKGWSA-N 278.264 0.487 50 40 CCGB CCOC(=O)[C@@H](Br)[C@@](C)(O)C(=O)OCC 72932907 IFVKLRMOYYUUFX-HZGVNTEJSA-N 283.118 0.627 50 40 CCGB CC1=C[C@@H]([C@@H]2CC(=O)OC2=O)C[C@@H]2C(=O)OC(=O)[C@@H]12 148880879 DGQOZCNCJKEVOA-VEVYYDQMSA-N 264.233 0.358 50 40 CCGB NC(=O)[C@H](Cl)CNS(=O)(=O)c1ccc(Cl)cc1 293733 HBDDLQVLPRZVDA-MRVPVSSYSA-N 297.163 0.711 50 40 CCGB O=C(NCc1cccnc1)C(=O)NN=C1CCCC1 59515707 GSRGTSSIMIOHNR-UHFFFAOYSA-N 260.297 0.744 50 40 CCGB O=C(O)CN1CC[C@H](I)C1 79390377 IKIQRRMDYHKIMG-YFKPBYRVSA-N 255.055 0.580 50 40 CCGB COC(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 34800079 CJIZAYRSUFWXLX-VZUCSPMQSA-N 269.213 0.999 50 40 CCGB O=C(NNc1ncccn1)c1n[nH]c(=O)c2ccccc12 45520810 RNLAOKAUQSACMR-UHFFFAOYSA-N 282.263 0.470 50 40 CCGB CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccnc1 67125912 FLOSIWILGYKYIH-UHFFFAOYSA-N 294.311 0.367 50 40 CCGB Cc1nn(Cn2nc(C(=O)NN)cc2C)c(C)c1Cl 62701464 MEMMKDQDKXJSLE-UHFFFAOYSA-N 282.735 0.768 50 40 CCGB CCOC(=O)[C@@H]1COC[C@H](Br)C1=O 95836298 DNSOUEIDBRVJAZ-RITPCOANSA-N 251.076 0.529 50 40 CCGB CCOC(=O)CC(=O)CI 3880821 AQMRHANBRLVSLM-UHFFFAOYSA-N 256.039 0.944 50 40 CCGB CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NN 1677522 VJANWGNHQPIBCO-LBPRGKRZSA-N 299.396 0.511 50 40 CCGB O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1nc[nH]n1 16399829 WKHCYQJTAMOXOJ-UHFFFAOYSA-N 260.213 0.477 50 40 CCGB O=C1OC(=O)C2=C1C(=O)C(=C1C=Cc3ccccc3N1)C2=O 100350893 IZRFIYOFLNNXHX-UHFFFAOYSA-N 293.234 0.911 50 40 CCGB C=CCc1cccc(/C=N/NC(=O)[C@H]2C=NNC2=O)c1O 100948929 GGPYSDGIIVQQGW-LBMJDHPKSA-N 286.291 0.303 50 40 CCGB NNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 4218601 USZGEUURPOALEK-UHFFFAOYSA-N 269.610 0.510 50 40 CCGB OB(O)c1c(I)ccnc1Cl 238612894 YDLNZTGPTBDYMC-UHFFFAOYSA-N 283.261 0.019 50 40 CCGB CCS(=O)(=O)[C@H](Br)[C@@H](O)C1CC1 96519146 MYXBOZXBMCETLV-BQBZGAKWSA-N 257.149 0.913 50 40 CCGB C[C@@H]1CN(C)[C@H](C)[C@H](/C=C(\C#N)C(N)=S)C1=O 33314059 DDJDOUUUOIGZKM-YVSQEYMZSA-N 251.355 0.878 50 40 CCGB COCC(=O)N/N=C1\C(=O)Nc2ccc(F)cc21 223755918 JKBWGQLONIMKNE-UHFFFAOYSA-N 251.217 0.245 50 40 CCGB CC(C)(C)OC(=O)NCCC(=O)NNc1ncccn1 43731242 JEXHYOLTBJWPJO-UHFFFAOYSA-N 281.316 0.835 50 40 CCGB NNC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 549787 VRGDKIGHLFVTIU-UHFFFAOYSA-N 261.241 0.443 50 40 CCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1c(C)noc1N 105207334 AVVZTPHYPCGZKQ-ALCCZGGFSA-N 264.241 0.047 50 40 CCGB O=C(NNS(=O)(=O)c1cccs1)c1cnccn1 12818590 IINYHCFEDUIBQL-UHFFFAOYSA-N 284.322 0.161 50 40 CCGB Nc1nonc1CC(=O)N/N=C/c1ccccc1O 4180460 MOALKYPCCOEEFK-AWNIVKPZSA-N 261.241 0.050 50 40 CCGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc[nH]n1 16385862 FLZJDYWCYSIIDU-UHFFFAOYSA-N 293.199 0.378 50 40 CCGB O=C(N/N=C1/CCc2c(O)cccc21)C(=O)NC1CC1 84494319 SUENUFNUONOSGE-WJDWOHSUSA-N 273.292 0.437 50 40 CCGB CC(C)OC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167621 UEHNESQRQLJKJZ-NKWVEPMBSA-N 271.791 0.690 50 40 CCGB COCCNC(=O)C(=O)N/N=C/c1ccccc1Cl 3059921 RYHBXLKQTUSMSI-OVCLIPMQSA-N 283.715 0.553 50 40 CCGB COc1ccc(/C=N\NC(=O)CN2CCOCC2)c(C)c1 408994135 GKMYLHGZENWLMR-YBEGLDIGSA-N 291.351 0.786 50 40 CCGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)NC(N)=O 409228211 VYLIHCSUPUPXSV-HYXAFXHYSA-N 250.170 0.290 50 40 CCGB CCOC(=O)CS(=O)(=O)/C(C#N)=C1/CCCCCN1 96511573 JEZOGSWHGMCYLT-KHPPLWFESA-N 286.353 0.863 50 40 CCGB C[N+](C)(C)CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1847138 IRMKOPQOLAETKT-MDWZMJQESA-O 265.293 0.751 50 40 CCGB CC(C)c1ccc(/C=N/NC(=O)[C@H]2C=NNC2=O)cc1 100948935 RWCNZIRIWDJQBV-IWTIEGKHSA-N 272.308 0.992 50 40 CCGB O=C(CCl)NNC(=O)[C@@H]1COc2ccccc2O1 4200263 IGMNAYRFVQTWFZ-VIFPVBQESA-N 270.672 0.213 50 40 CCGB Cc1[nH]nc2c1[C@@]1(CC[C@H]3CO[C@@H]1O3)C(C#N)=C(N)O2 8783481 BMRWNUGNONREHY-HAGUPOPPSA-N 274.280 0.578 50 40 CCGB Cn1/c(=N\NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])sc2ccccc21 103314640 OJLCJUQOQZKPJI-IRVAJXDTSA-N 292.320 0.837 50 40 CCGB