smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CC1=C(N)Oc2ccccc2[C@@]12C(=O)N(CC(N)=O)c1c2c(=O)oc2ccccc12 13483397 UWCIOKRPWHKYKF-JOCHJYFZSA-N 414.377 0.997 50 40 HCGB COCCNC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2ccccn2c1=O 5022369 HNRSXYMHOFLSBI-BAQSSVPWSA-N 411.462 0.978 50 40 HCGB CC(=O)NCCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6905335 WOULTOJOSAEFFM-UHFFFAOYSA-N 407.430 0.732 50 40 HCGB CCCc1c(C(=O)N/N=C/c2cccc(OC)c2OC)nnn1-c1nonc1N 9479444 AXYNOOWAZIEBMJ-DJKKODMXSA-N 400.399 0.966 50 40 HCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2Br)n(C)c1 29688931 ZVSUPQCRWGMQDT-UHFFFAOYSA-N 415.269 0.771 50 40 HCGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 9910709 KZOIUEUHKQSRQR-UHFFFAOYSA-N 403.464 0.561 50 40 HCGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cc(Br)ccc1O 2380388 OFWLDFAQPKZACA-FZSIALSZSA-N 407.188 0.773 50 40 HCGB COc1ccc(OC)c(N2C(=O)C[C@H](NNC(=O)c3ccc4c(c3)OCO4)C2=O)c1 102318631 YPQLJAHJCJXYDU-ZDUSSCGKSA-N 413.386 0.999 50 40 HCGB NC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 2218794 UOBVXDZWSBTACB-ZSOAJHIHSA-N 405.414 0.168 50 40 HCGB Nc1nnn(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)n1 2320385 IZBOIWXMBWISSN-LZWSPWQCSA-N 419.037 0.636 50 40 HCGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=S)NC[C@H]1CCCO1 15899463 IJJGMMYGPNNTHF-MRVPVSSYSA-N 405.274 0.446 50 40 HCGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 409159478 MPVHREXUKVPPCF-BUVRLJJBSA-N 424.457 0.691 50 40 HCGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3)c2=O)=C(C(N)=O)[C@@H]1c1ccccc1 1296705 PHIHICPCNZPZKM-ZFOVBUMHSA-N 400.463 0.823 50 40 HCGB CC(=O)c1c(NNC(=O)C(=O)NNc2oc(C)cc(=O)c2C(C)=O)oc(C)cc1=O 27028118 AILGEDACUKVBSZ-UHFFFAOYSA-N 418.362 0.201 50 40 HCGB O=C(CCl)N1CCN(c2ccnc(N3CCN(C(=O)CCl)CC3)n2)CC1 3028094 BLJUJAKZPMEALO-UHFFFAOYSA-N 401.298 0.251 50 40 HCGB COc1ccc(C(=O)NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 28047318 FBSBODZORLUFMM-UHFFFAOYSA-N 415.454 0.310 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2cccc(OC)c2)c2ccccc21 100282867 ZOSSUTXHKBWLPU-LYBHJNIJSA-N 424.413 0.465 50 40 HCGB Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 9310521 UKWDWVNAYCUFEY-UHFFFAOYSA-N 411.374 0.871 50 40 HCGB C/C(N)=C(/C#N)C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 7738343 FCLGBJYJVRRBJY-LHSSCHCVSA-N 419.459 0.589 50 40 HCGB O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 12930965 UWFLAFBOBGSNRF-MRXNPFEDSA-N 405.432 0.342 50 40 HCGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 110515539 DFYBNFNAIQNPIA-LQSBQDLSSA-N 424.596 0.354 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 100282935 CQLMOMIOMCNYIJ-NJNXFGOHSA-N 422.441 0.776 50 40 HCGB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 102751498 HHNIKPQHZAIWFT-KBPBESRZSA-N 421.837 0.819 50 40 HCGB C[C@H](C(=O)N/N=C/c1ccc(OCC(N)=O)cc1)N(c1ccccc1)S(C)(=O)=O 408920579 JETIZIDXXGQRCE-STCDJXRXSA-N 418.475 0.856 50 40 HCGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccc(I)c1 4770218 VCLLKBNQROAIDP-SECBINFHSA-N 408.155 0.886 50 40 HCGB O=C(NNS(=O)(=O)c1ccc(F)cc1F)c1csc(N2CCOCC2)n1 12852000 QGHZQZVOZIEIBV-UHFFFAOYSA-N 404.420 0.881 50 40 HCGB O=C(Cn1nc(-c2cccs2)oc1=O)NNC(=O)[C@@H]1COc2ccccc2O1 22991963 LINFAJDOOCQCST-LBPRGKRZSA-N 402.388 0.552 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)NC[C@H]1CCCO1 5944516 PHACYMHZGBJKMH-ORWNMUSCSA-N 402.451 0.433 50 40 HCGB CC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](C)Cl)C1 1078028270 HBJOXQRURQPDEX-PSPMGSJBSA-N 410.964 0.047 50 40 HCGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC1 8781129 NIXQFXWXSWBRRO-KEBDBYFISA-N 411.426 0.601 50 40 HCGB O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](Br)[C@H]1O)c1ccccc1 103193749 WLMPSJVPCSSEDV-GHYVTOPFSA-N 411.208 0.415 50 40 HCGB O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8395354 BOPLAIXDMNEQFM-HZPDHXFCSA-N 421.475 0.899 50 40 HCGB CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1ccc3c(c1)OCCO3)C2=O 8749422 JTLYJBPNGJHJBX-UHFFFAOYSA-N 416.434 0.720 50 40 HCGB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)cc1 12992956 MPQOELCVEBNKSQ-AWEZNQCLSA-N 424.523 0.927 50 40 HCGB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1ccccc1 31709161 ACUKNYJBUQPMBI-UHFFFAOYSA-N 404.448 0.094 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1-c1cccc([N+](=O)[O-])c1 3095501 DQPITJGIQYJTLB-AWQFTUOYSA-N 420.349 0.967 50 40 HCGB Cn1c(=O)c2c(nc(NCCNC(=O)CCl)n2Cc2ccc(F)cc2)n(C)c1=O 57681219 IYRRYWBABRGRRB-UHFFFAOYSA-N 422.848 0.388 50 40 HCGB O=C(CCl)N(CCCCCO[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 217382043 RZYONJKOFOJXNW-UONOGXRCSA-N 415.961 0.615 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 5793919 ZCXGVJNBYHEZQT-NKFKGCMQSA-N 410.386 0.162 50 40 HCGB CCn1nnc2cc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)ccc21 12944001 CHWRHRHHNNMWNZ-UHFFFAOYSA-N 422.854 0.827 50 40 HCGB O[C@H](CI)[C@@H]1OCO[C@H](CI)[C@@H]1O 5249476 IMODQIINIOVBTI-JWXFUTCRSA-N 413.977 0.320 50 40 HCGB NNC(=O)C(=O)N/N=C(/CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1 6574991 MRAMTHOFIWHURT-ITYLOYPMSA-N 423.473 0.861 50 40 HCGB Cn1c(=O)c2cc(C(=O)NNC(=O)Cc3ccc(Cl)cc3)cnc2n(C)c1=O 12760338 PQLSXGCNVRZZKK-UHFFFAOYSA-N 401.810 0.289 50 40 HCGB O=C(COc1ccc(Br)cc1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 10105036 XGFFYNRFUCMRBU-JTQLQIEISA-N 405.270 0.800 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)CCCNS(=O)(=O)c1cccc2nsnc12 19077007 FXOXIWRPCGAEFI-KHPPLWFESA-N 423.476 0.618 50 40 HCGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)N1CCOCC1 6326181 DDWZKRWZRZDBGG-WSDLNYQXSA-N 420.466 0.155 50 40 HCGB COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)c3ccccn3)CC2=O)cc1OC 40159871 PRANZIKZVVKHRJ-HNNXBMFYSA-N 412.446 0.951 50 40 HCGB CN1C(=O)/C(=N/NC(=O)CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccccc21 100260409 DMUPSUGPIOHXAJ-SIHVKLMXSA-N 418.413 0.370 50 40 HCGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9441859 IVYOPMMSNGVSOR-UHFFFAOYSA-N 420.447 0.255 50 40 HCGB COc1ccc(CNC(=S)NNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 28741820 AAZQBOTZVRPAPS-MRXNPFEDSA-N 401.492 0.970 50 40 HCGB CCC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Br)[C@@H]1OC(=O)CC 217371806 NGLIYDLJNROMLW-OKVQYTGBSA-N 419.228 0.473 50 40 HCGB CCOC(=O)Cc1n[nH]c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9242508 HPBKCHCFAOUACO-GOSISDBHSA-N 410.346 0.748 50 40 HCGB O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(Cl)cc1 9910356 INVNUCFPAVGXTK-UHFFFAOYSA-N 422.825 0.509 50 40 HCGB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 21875249 AOWIPJTUMWGIBF-XHDPSFHLSA-N 423.422 0.480 50 40 HCGB CCC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](Br)[C@@H]1OC(=O)CC 12657747 NGLIYDLJNROMLW-VGSLSFOHSA-N 419.228 0.473 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N(C)C1 44607958 KDLRVYVGXIQJDK-MYGIMSLVSA-N 424.991 0.390 50 40 HCGB O=C(Cn1cncn1)N/N=C\c1ccc(OC(=O)C[C@H]2SC(=O)NC2=O)cc1 32509084 WMPBMSXYAJDGRJ-AYEIRRACSA-N 402.392 0.076 50 40 HCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 409270571 QYRRZSKZFWYZEL-OMBDHMDGSA-N 420.466 0.298 50 40 HCGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3)c2=O)=C(C(N)=O)[C@@H]1c1ccccc1 1296703 PHIHICPCNZPZKM-ABPVARSCSA-N 400.463 0.823 50 40 HCGB COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 12850235 JRCOEDNKZBAGOA-HNNXBMFYSA-N 409.376 0.753 50 40 HCGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408868084 NLZSIFPRWAFYPK-FMCGGJTJSA-N 411.418 0.595 50 40 HCGB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)ccc21 9129971 MTAUOWWEGGFADN-UHFFFAOYSA-N 420.429 0.600 50 40 HCGB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1cccs1 9506902 NYKGMKNIURBVRO-UHFFFAOYSA-N 411.461 0.649 50 40 HCGB CCc1ccc(C(=O)NNC(=O)c2cccnc2)cc1S(=O)(=O)N1CCOCC1 32795476 INEOXTYOPBXNET-UHFFFAOYSA-N 418.475 0.740 50 40 HCGB N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2200675 BBMASXUOPVLTEA-STTHAQSSSA-N 409.446 0.733 50 40 HCGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 165711185 OXEGZAOBSYMIKN-DFEHZGFQSA-N 413.430 0.412 50 40 HCGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1 2395557 GGBZFNGIPQORIE-UFWORHAWSA-N 412.414 0.016 50 40 HCGB CCc1sc(C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1C 12876110 PSMQWFRJCQKJGT-UHFFFAOYSA-N 403.507 0.890 50 40 HCGB O=C(NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccccc1 408724474 DZXOYNAUVYYPQB-UHFFFAOYSA-N 400.443 0.693 50 40 HCGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 13476699 XBRIGUHYCSVGNI-UHFFFAOYSA-N 411.330 0.526 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 5793906 YNCSIHBKYDAWMF-GFMRDNFCSA-N 408.414 0.385 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2cccs2)c2ccccc21 100282912 GPUFFFGIPNBVAU-LTGZKZEYSA-N 400.416 0.518 50 40 HCGB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2ccccc2O)cc1 6602431 KXBUGURWGLSKGI-NSHDSACASA-N 405.432 0.723 50 40 HCGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 6647830 SBHYFYOVUPHRKH-LPYMAVHISA-N 420.466 0.299 50 40 HCGB Cc1ccccc1C(=O)NCCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 21967649 JKPLAMNJWVLHAA-UHFFFAOYSA-N 417.491 0.869 50 40 HCGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccc(F)cc1 28213432 YZBAYNOZDLSSMQ-UFFVCSGVSA-N 422.438 0.606 50 40 HCGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccccn3)CC2)cc1 36006928 DAKABXDGJPAEFM-STZFKDTASA-N 401.492 0.847 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 100282961 PUCCEPJGPQTPNC-QWYVFFEMSA-N 420.425 0.856 50 40 HCGB CC(=O)O[C@@H]1CO[C@@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5369389 QMJJEUBKQJZIGH-FDYHWXHSSA-N 409.779 0.070 50 40 HCGB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1cccs1 8884283 YNYUDNIUTCLQTE-UHFFFAOYSA-N 410.477 0.156 50 40 HCGB COc1cc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc(OC)c1OC 32967445 HKSRPMOODPMOLS-VOJFVSQTSA-N 409.464 0.927 50 40 HCGB O=C(CCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1 100007049 JCVMIJAPUPUPGG-UHFFFAOYSA-N 414.418 0.219 50 40 HCGB CN1C(=O)NC(=O)/C(=C\NNC(=O)c2cccc(I)c2)C1=O 408535593 TZSANOIXMVKPLJ-RMKNXTFCSA-N 414.159 0.118 50 40 HCGB CCOc1ncccc1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 34855876 BRINKLUXANAMOZ-UHFFFAOYSA-N 420.495 0.568 50 40 HCGB Cc1cccc(N2N=C(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CCC2=O)c1 10215143 TZZKNPGHBSBINU-UHFFFAOYSA-N 418.417 0.915 50 40 HCGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 1684972 LWBJDHLBXHCBMY-ZEELXFFVSA-N 416.306 0.515 50 40 HCGB COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(N)=O 4813380 UQIOGVFRHKAQFD-OXJNMPFZSA-N 418.457 0.914 50 40 HCGB CCN1C(=O)C(=CNNC(=O)C(=O)Nc2ccc(C)cc2)C(=O)N(CC)C1=S 8484615 LCJDPLRKZIMYFY-UHFFFAOYSA-N 403.464 0.434 50 40 HCGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(I)cc1 59500954 NTWNPLUMHOMDEG-VIFPVBQESA-N 408.155 0.886 50 40 HCGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 4088543 SLXHZJUUDSIUOG-MRXNPFEDSA-N 405.432 0.538 50 40 HCGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)S(C)(=O)=O 28213033 DZHNTIQDEQCKAM-SRZZPIQSSA-N 418.475 0.775 50 40 HCGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1F 408874852 BNAUGLANVTZITF-UFFVCSGVSA-N 422.438 0.606 50 40 HCGB O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1 11556809 VLMBYACPILUQML-CYBMUJFWSA-N 421.431 0.665 50 40 HCGB O=C(NC[C@@H]1COc2ccccc2O1)NNC(=O)c1csc(N2CCOCC2)n1 12986185 BEUDEYPEZNOACR-GFCCVEGCSA-N 419.463 0.764 50 40 HCGB CCn1c(NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc2ccccc2c1=O 102666577 GMWJQBBKPFDZEO-MWDDYTRKSA-N 407.430 0.667 50 40 HCGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1cccc(O)c1 408732116 SFYSVPXCNUZCCR-REZTVBANSA-N 415.391 0.390 50 40 HCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2cccc(C)c2)c2ccccc21 6131983 DZSASPRTDWEMQY-DAFNUICNSA-N 404.426 0.990 50 40 HCGB O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 110515536 DFYBNFNAIQNPIA-SNIKSBKOSA-N 424.596 0.354 50 40 HCGB COc1ccc(CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 12747097 YJUSZRJNHZDSJM-LBPRGKRZSA-N 409.439 0.891 50 40 HCGB CCCOc1ccc(C(=O)NNC(=O)c2cnc3nc(O)[nH]c(=O)c3c2)cc1OC 32936125 VTKQOPWBLBNWTN-UHFFFAOYSA-N 413.390 0.896 50 40 HCGB C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1ccc(O)cc1 25781909 RULOYTMCGNIHOI-RGVLZGJSSA-N 411.426 0.688 50 40 HCGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)c(OC)c1 3640476 ACFQRZILJMIECM-UFWORHAWSA-N 415.414 0.075 50 40 HCGB CCCc1c(C(=O)N/N=C(\C)c2cccc(-n3cnnn3)c2)nnn1-c1nonc1N 9235424 YQZNOYMAFRRFDF-KEBDBYFISA-N 422.413 0.315 50 40 HCGB COc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1 409348341 SNXNXUPCQYLERW-DYTRJAOYSA-N 416.459 0.958 50 40 HCGB CCOC(=O)C1=NO[C@@H](Cc2c(/C=N\NC(N)=O)c(OC)c3c(c2OC)OCO3)C1 15084763 SBTLMMKDUPZMDF-PIPHKAODSA-N 422.394 0.685 50 40 HCGB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccc2c(c1)OCO2 9442357 LGDSOKWAYDSSLA-JTQLQIEISA-N 416.415 0.304 50 40 HCGB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1ccc(F)cc1 16046199 SQNKHFBBZYMPEK-UHFFFAOYSA-N 423.422 0.727 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccco2)c1-c1ccc2c(c1)OCO2 2451269 OWCYFIDVRUITTC-FBCYGCLPSA-N 408.334 0.985 50 40 HCGB NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12609606 HBIFRCYXDUVBDQ-QAPCUYQASA-N 423.429 0.735 50 40 HCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(OC)cc2)c2ccccc21 18163943 IDGIFXBABHBHBI-DAFNUICNSA-N 404.426 0.854 50 40 HCGB C#CCN1C(=O)/C(=N/NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100431791 GVDRIJGPNQHYKE-FCBDOIIFSA-N 418.409 0.443 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1 33488167 KDLRVYVGXIQJDK-KVBOSYRSSA-N 424.991 0.390 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1CN1CCCCC1 1911770 LKHNWZDTUNPFHE-KEBDBYFISA-N 411.426 0.688 50 40 HCGB Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1cccc(O)c1 2520766 ICFRWKCYWHDKLO-KEBDBYFISA-N 411.426 0.688 50 40 HCGB O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8395355 BOPLAIXDMNEQFM-JKSUJKDBSA-N 421.475 0.899 50 40 HCGB C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/CO)C[C@](O)(CCl)[C@@H]1C=C[C@](C)(O)[C@H]21 257450117 IXLMITLRFJSJRS-WJLNJTGZSA-N 412.866 0.861 50 40 HCGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1ccco1 6602377 CRSKESMRJXBBKO-UHFFFAOYSA-N 413.217 0.894 50 40 HCGB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc2c(c1)OCO2 13002047 UOEMQMWMBVFOAT-UHFFFAOYSA-N 402.407 0.821 50 40 HCGB O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 195552710 DFYBNFNAIQNPIA-KLVXDSBYSA-N 424.596 0.354 50 40 HCGB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 33028656 AOWIPJTUMWGIBF-IAQYHMDHSA-N 423.422 0.480 50 40 HCGB CCOC(=O)C1=c2s/c(=C\C(=O)OC)c(=O)n2C(N)=C(C#N)[C@H]1c1cccs1 8757235 MQFUYBGSSSZMCY-YLBKJLTLSA-N 417.468 0.087 50 40 HCGB COc1cc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc(OC)c1OC 26954831 QFPXQWQRSKNBCA-UHFFFAOYSA-N 420.422 0.338 50 40 HCGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 165704537 UPFJEBITOGMJHQ-WKOIVZFLSA-N 413.430 0.410 50 40 HCGB O=C(C[C@@H]1NC(=O)NC1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 11658229 LCWWUUMFTPVPDK-INIZCTEOSA-N 418.413 0.898 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccn2)c1COc1ccccc1 2245709 YHMLXHGWJQCNJQ-UFFVCSGVSA-N 405.378 0.970 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNCc2ccc(OC)cc2)c2ccccc21 100282993 QQTDAVHETWXPRX-HIXSDJFHSA-N 410.430 0.825 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)NC[C@@H]1CCCO1 408998613 RLWMIMXEGOOYSZ-KCDOPAPYSA-N 416.478 0.870 50 40 HCGB O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 12517604 FKZBLTHOOJYWCW-UHFFFAOYSA-N 421.457 0.952 50 40 HCGB O=C(Cn1cncn1)N/N=C\c1ccccc1OC(=O)/C=C1\SC(=O)NC1=O 27642092 VQSULUSSKVXMRO-KOOZIORTSA-N 400.376 0.201 50 40 HCGB COc1cccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)c1 16228030 HOPQVQXMQUWNSK-UHFFFAOYSA-N 402.432 0.934 50 40 HCGB O=C(CCl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 3885290 XBGBKOBOQLCRID-UHFFFAOYSA-N 403.888 0.721 50 40 HCGB CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21 9743124 NXUYGMCNDSQDSQ-QFIPXVFZSA-N 420.425 0.976 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(OC)c2)c2ccccc21 9348945 ZOSSUTXHKBWLPU-CLCOLTQESA-N 424.413 0.465 50 40 HCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58873349 WBQJUSLICHWYRE-TVSCDJBNSA-N 404.467 0.583 50 40 HCGB O=C(NNC(=S)NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1 2629745 MUMRKECOZPSHKR-UHFFFAOYSA-N 424.504 0.610 50 40 HCGB Cc1cc(C)n(CC(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 6510816 COGTZLBJDXHZKX-UHFFFAOYSA-N 419.507 0.748 50 40 HCGB COCCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2ccccn2c1=O 13122476 HNRSXYMHOFLSBI-WMVBVCORSA-N 411.462 0.978 50 40 HCGB COc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 3553345 IKSHRWFMNJIFDY-UHFFFAOYSA-N 407.448 0.786 50 40 HCGB CC(=O)O[C@H]1CO[C@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5369388 QMJJEUBKQJZIGH-LOWDOPEQSA-N 409.779 0.070 50 40 HCGB O=C(Cn1nc(-c2cccs2)oc1=O)NNC(=O)[C@H]1COc2ccccc2O1 22991965 LINFAJDOOCQCST-GFCCVEGCSA-N 402.388 0.552 50 40 HCGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 165704145 UPFJEBITOGMJHQ-OHYFQZGNSA-N 413.430 0.410 50 40 HCGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1O 408734738 CSUHBVRTDXWZEW-LZYBPNLTSA-N 419.219 0.788 50 40 HCGB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)cc1 12992955 MPQOELCVEBNKSQ-CQSZACIVSA-N 424.523 0.927 50 40 HCGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58873021 OITIUUPOHGHOHA-NSTHGIQOSA-N 402.451 0.503 50 40 HCGB CCc1sc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C 40086578 ZGIDPODSASGHAH-NEPJUHHUSA-N 413.521 0.416 50 40 HCGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 5644491 PCWNRBYQXHSRRO-XLNRJJMWSA-N 414.443 0.908 50 40 HCGB NC(=O)N/N=C/c1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O 3171762 AQIVCURBYYRGPO-VXLYETTFSA-N 407.419 0.824 50 40 HCGB CC(=O)OC[C@@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 5226686 CYAYKKUWALRRPA-PDWCTOEPSA-N 411.201 0.464 50 40 HCGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C/c1cccc([N+](=O)[O-])c1 16399826 DRUJBIKMMISUKQ-OMCISZLKSA-N 401.368 0.510 50 40 HCGB Cn1nc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccc2c1=O 12785971 VTPQLMYLNGIMQH-UHFFFAOYSA-N 404.390 0.048 50 40 HCGB Cc1nn(CC(=O)NNC(=O)[C@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)c1[N+](=O)[O-] 2786026 LDYRGIAZUBJSKV-MRVPVSSYSA-N 422.402 0.613 50 40 HCGB CCC[C@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 71789626 KDLRVYVGXIQJDK-ROXJODQZSA-N 424.991 0.390 50 40 HCGB in-vitro O[C@H](CI)[C@@H]1OCO[C@H](CI)[C@H]1O 5249478 IMODQIINIOVBTI-GBNDHIKLSA-N 413.977 0.320 50 40 HCGB Cn1c(CC(=O)NNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc2ccccc21 103052270 XHJYEYWHDRUWDH-OKILXGFUSA-N 409.446 0.605 50 40 HCGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 409269611 KRTHPUWVOUKPKB-WSDLNYQXSA-N 414.418 0.284 50 40 HCGB O=C(C[C@H]1NC(Cc2ccccc2)=NNC1=O)NNC(=S)NC1CCCCC1 3204854 BYKPFGOEPSNQKW-OAHLLOKOSA-N 402.524 0.849 50 40 HCGB O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@H]1O2)c1cccc([N+](=O)[O-])c1 225106328 FFBJWOJFUNBZLQ-YAQZRLPOSA-N 403.311 0.567 50 40 HCGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1n[nH]c(=O)c2ccccc12 8136173 YQEHGCNYBHFLHV-CQSZACIVSA-N 405.414 0.733 50 40 HCGB O=C(NNC(=S)N[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 102971822 DFYBNFNAIQNPIA-HUXGKSLCSA-N 424.596 0.354 50 40 HCGB CCOC(=O)c1cnc(SCC(=O)NNC(=O)COc2ccc(C)cc2)nc1N 6089625 ABBIVBUHCSZLKZ-UHFFFAOYSA-N 419.463 0.862 50 40 HCGB CN(C)c1ccc(/C=N/NC(=O)CN(/N=N/c2nonc2N)c2nonc2N)cc1 4043084 RNJFJNZOYODEFU-XPRLBJJZSA-N 414.390 0.339 50 40 HCGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCOC)CC1 5023676 SQCUFAIXXMMFFM-SAPNQHFASA-N 424.505 0.814 50 40 HCGB COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@](C)(OC(C)=O)[C@H]1OC(C)=O 35193891 PORBARGBVAPWGY-FGPLHTHASA-N 411.201 0.464 50 40 HCGB CC(=O)O[C@@H]1CO[C@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5369387 QMJJEUBKQJZIGH-LPWJVIDDSA-N 409.779 0.070 50 40 HCGB Cc1ccc(C(O)(C(=O)NNC(=O)CN2CCN(C)CC2)c2ccc(C)cc2)cc1 19368109 IBKGYLGGLNADHF-UHFFFAOYSA-N 410.518 0.934 50 40 HCGB O=C(NNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 47296894 NTVSVSSCTAGFLQ-HOTGVXAUSA-N 407.390 0.815 50 40 HCGB Cc1ccc(S(=O)(=O)NNC(=O)CCn2[nH]c(=O)c(Cl)c(Cl)c2=O)cc1 1614029 APGNDQHXVJWHSL-UHFFFAOYSA-N 421.262 0.552 50 40 HCGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1cccnc1 9691320 BWIODGHUPXCNJH-UHFFFAOYSA-N 424.244 0.696 50 40 HCGB NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)cc1 15583554 PBBDGODYVTZVQW-UHFFFAOYSA-N 419.385 0.330 50 40 HCGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCOCC3)c(N3CCN(C)CC3)nc12 2200110 YAXILXXWXHIWOY-SAPNQHFASA-N 422.489 0.521 50 40 HCGB CCc1sc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C 40086579 ZGIDPODSASGHAH-RYUDHWBXSA-N 413.521 0.416 50 40 HCGB O=C(Cc1cnn(-c2ccccc2)n1)NNC(=O)Cc1cnn(-c2ccccc2)n1 40158872 ZYLLFNZVRUZIMF-UHFFFAOYSA-N 402.418 0.781 50 40 HCGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc(OC)c1OC 1879653 TYFUBJKBEBORGZ-CNHKJKLMSA-N 402.371 0.331 50 40 HCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)c1cccnc1 8443078 UVAHCLMPMFBBKU-CIAFOILYSA-N 410.442 0.767 50 40 HCGB Cn1nc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 9643559 OIYKWEWRHSLTJI-UHFFFAOYSA-N 419.397 0.381 50 40 HCGB COc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc(Cl)c1OCC(N)=O 13295747 DJWQQLMTOFYXAP-UHFFFAOYSA-N 421.841 0.889 50 40 HCGB COC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccncc1 8965452 GBOCTUSUMGBHSQ-AAGJOFLKSA-N 417.450 0.301 50 40 HCGB COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N(C)C 12736749 XQBRCFXFWZYALL-ZDUSSCGKSA-N 419.525 0.051 50 40 HCGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1O 409252801 DXEMAQGJMDSGDB-DSSNYXJPSA-N 400.229 0.909 50 40 HCGB CCCc1c(C(=O)N/N=C/c2ccc(OC)c(OC)c2)nnn1-c1nonc1N 2449488 XHKQXKKMZSLEJV-DJKKODMXSA-N 400.399 0.966 50 40 HCGB COc1c(C[C@H]2CC(C(=O)NN)=NO2)c(Br)c2c(c1OC)OCO2 14987706 JCZGUAJPOWSRBF-LURJTMIESA-N 402.201 0.872 50 40 HCGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408771886 JWJNEOKCYGNPPV-JAIQZWGSSA-N 404.448 0.819 50 40 HCGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1n[nH]c(=O)c2ccccc12 8136177 YQEHGCNYBHFLHV-AWEZNQCLSA-N 405.414 0.733 50 40 HCGB COc1ccc(/C=C2\SC(=O)N(CC(=O)NNC(=O)Cn3cncn3)C2=O)cc1 32597874 VWJDQIAKKNQHMX-MLPAPPSSSA-N 416.419 0.171 50 40 HCGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408779866 MMERXZKTLFCIHB-JAIQZWGSSA-N 406.464 0.980 50 40 HCGB C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cccn2C)nnn1-c1nonc1N 33694875 BFZKVXCWKYYMRY-SVKBEJCWSA-N 412.458 0.709 50 40 HCGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)CC#N)C2=O)ccc1Br 408526142 AHMMRGFZDHKMMF-JXMROGBWSA-N 406.196 0.759 50 40 HCGB COc1ccc(CNC(=S)NNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1 28741824 AAZQBOTZVRPAPS-INIZCTEOSA-N 401.492 0.970 50 40 HCGB O=C(Cc1nnc(NC(=O)c2ncn[nH]2)s1)N/N=C\c1cccc([N+](=O)[O-])c1 35189674 DRUJBIKMMISUKQ-SOFYXZRVSA-N 401.368 0.510 50 40 HCGB C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1cccc(O)c1 25781934 UJTTZRVUMBKLNO-RGVLZGJSSA-N 411.426 0.688 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 100282845 ZCXGVJNBYHEZQT-PTGBLXJZSA-N 410.386 0.162 50 40 HCGB NC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc21 5770824 AIIYFNORCHGRHA-ULJHMMPZSA-N 413.821 0.422 50 40 HCGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccnc2)c2ccccc21 5898289 GZGZBZSWWGTOBE-MOHJPFBDSA-N 409.402 0.242 50 40 HCGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2=O)cc1 6602529 SCACJDRZUWDKHW-QGZVFWFLSA-N 419.445 0.780 50 40 HCGB O=C(NNC(=O)c1ccncc1)N[C@H]1CCCN1S(=O)(=O)c1ccccc1F 16789711 RDWMGAPFJVXEPM-OAHLLOKOSA-N 407.427 0.976 50 40 HCGB CCc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cnn1-c1ccc(=O)[nH]n1 12985614 JJGBITKOLJKVGI-NSHDSACASA-N 414.397 0.886 50 40 HCGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 58873496 BFYHIQKCLVYYNC-ZVHZXABRSA-N 412.446 0.595 50 40 HCGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3cccnc3)C(C(=O)N(C)C)=C2S1 3771930 OPEXIAZIOCYTSF-AWEZNQCLSA-N 411.443 0.805 50 40 HCGB C/C(N)=C(/C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 25425319 GVMSTLHLGUNLCZ-ZDMPKIAPSA-N 421.475 0.967 50 40 HCGB NC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 6061058 ZFIQPIWXDGTSIF-QQTULTPQSA-N 407.430 0.088 50 40 HCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 409270576 QYRRZSKZFWYZEL-STCDJXRXSA-N 420.466 0.298 50 40 HCGB Cc1cc(C(F)(F)F)nn1CCC(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 2114492 DPCYBWTXGUYAHQ-UHFFFAOYSA-N 403.321 0.943 50 40 HCGB COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc(OC)c1OC 2541943 HAKXOXZPBKVXJE-CNHKJKLMSA-N 402.371 0.331 50 40 HCGB CN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c2ccccc21 1480537 DMUPSUGPIOHXAJ-GJEUYDLNSA-N 418.413 0.370 50 40 HCGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C(N)=O 8990669 ZLRZQXXACODJPA-CDCQXCROSA-N 414.443 0.477 50 40 HCGB N#Cc1ccc(Nc2cnc([C@@H]3CCCN3Cc3ccc(B(O)O)cc3)cn2)cn1 585293691 KBHRCDMDQYFRLB-FQEVSTJZSA-N 400.251 1.504 50 40 HCGB COc1c(Br)c(C[C@@H]2CC(C(=O)NN)=NO2)c(OC)c2c1OCO2 15085740 VRMNGYFUBQUVGN-ZCFIWIBFSA-N 402.201 0.872 50 40 HCGB COc1cccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)c1 409329909 IRPOTXNCBJWMTP-DYTRJAOYSA-N 416.459 0.958 50 40 HCGB CCOC(=O)C1=NO[C@H](Cc2c(/C=N\NC(N)=O)c(OC)c3c(c2OC)OCO3)C1 15084765 SBTLMMKDUPZMDF-FCRYFJGDSA-N 422.394 0.685 50 40 HCGB O=C(COC(=O)CNC(=O)c1ccco1)NNC(=O)c1ccc(Br)cc1 3317829 ZKJVYQLZBMTUKY-UHFFFAOYSA-N 424.207 0.776 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 5793908 YJLPDCVFAGDMKW-MOHJPFBDSA-N 412.377 0.596 50 40 HCGB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)/C(C#N)=C(/C)N)cc1 103057903 NIYLSVQPKRQXSU-PTNGSMBKSA-N 408.436 0.182 50 40 HCGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C)s1 1626477 AKTGRQBWOMSJQW-UHFFFAOYSA-N 404.452 0.931 50 40 HCGB COc1ccc(CCN2C[C@H](C(=O)NNC(=O)c3ccccn3)CC2=O)cc1OC 40159870 PRANZIKZVVKHRJ-OAHLLOKOSA-N 412.446 0.951 50 40 HCGB CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](C)Cl)N(C)C1 100070736 KDLRVYVGXIQJDK-GTQLUZSVSA-N 424.991 0.390 50 40 HCGB in-vitro C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 29440087 LEDVZFCIOUVPBJ-YVEFUNNKSA-N 413.409 0.861 50 40 HCGB O=C(CCC(=O)N/N=C1/C(=O)Nc2ccccc21)N/N=C1\C(=O)Nc2ccccc21 13596551 PMTFGPPNRICDHA-UHFFFAOYSA-N 404.386 0.712 50 40 HCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1 6509169 HOVOQGVQUMPGDE-UHFFFAOYSA-N 424.523 0.459 50 40 HCGB COc1ccc(C(=O)NNC(=O)CCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 38145167 HJGVNSCGVYGTQE-UHFFFAOYSA-N 414.418 0.706 50 40 HCGB Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 26604937 OLARXPSPAZZUFB-SNVBAGLBSA-N 407.290 0.363 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1[C@H]2C(=O)N(C)C(=O)[C@H]2CC[C@H]1C 245225179 PENSZXSOVNCGMM-OBQMCUGOSA-N 417.462 0.889 50 40 HCGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 6953842 BMCROHSUQSGEOK-ZMOGYAJESA-N 412.446 0.977 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 9595827 ISXFPOXJTSUQRF-AWEZNQCLSA-N 421.475 0.979 50 40 HCGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1 8104840 MNWSKCAWOMQLHK-ZVHZXABRSA-N 412.446 0.595 50 40 HCGB CCCc1c(C(=O)N/N=C/c2cc(OC)ccc2OC)nnn1-c1nonc1N 9307306 XTIPIMQNSFLRSI-DJKKODMXSA-N 400.399 0.966 50 40 HCGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3nnc[nH]3)s2)ccc1O 109125337 CIOZMAMJRCMNJW-UBKPWBPPSA-N 402.396 0.316 50 40 HCGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3nc[nH]n3)s2)cc1O 408732718 XVOLCKIOYZWMBH-CNHKJKLMSA-N 416.423 0.706 50 40 HCGB O=C(COC(=O)CNC(=O)c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 3299818 QUQBEIFRDBEHSR-UHFFFAOYSA-N 400.347 0.329 50 40 HCGB COC(=O)NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9425404 BFCIRIQBBFTPKC-UHFFFAOYSA-N 408.889 0.918 50 40 HCGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)N1CCCC1 409261581 DVLALLHJYJEJBQ-CIAFOILYSA-N 402.451 0.815 50 40 HCGB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NN)cc1)N(C)CC3)OCO2 20412589 WELMSDULFBHCPJ-MRXNPFEDSA-N 423.433 0.580 50 40 HCGB biogenic CCc1ccc(C(=O)NNC(=O)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 32794991 MXWQBTKOQLLRJA-UHFFFAOYSA-N 418.475 0.740 50 40 HCGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)N1CCOCC1 409259293 YPMRRQWOKLWNMU-CIAFOILYSA-N 418.450 0.052 50 40 HCGB COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 409149572 KEGNWDYGCBMSMP-VXLYETTFSA-N 423.447 0.847 50 40 HCGB CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 39945941 KDLRVYVGXIQJDK-KEPWRCPUSA-N 424.991 0.390 50 40 HCGB COc1cc(C(=O)NNC(=O)CNC(=O)NCc2ccccc2)cc(OC)c1OC 26687775 WGTVBFABXMKRGW-UHFFFAOYSA-N 416.434 0.973 50 40 HCGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC1CCCCC1 3209024 PWJGVYUUAZHHNO-UHFFFAOYSA-N 410.496 0.984 50 40 HCGB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 40143030 GRAUCZLWFDCEJI-UHFFFAOYSA-N 409.358 0.627 50 40 HCGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)NCc1ccccc1 6960766 JUDVMBBVYVTXQM-ZMOGYAJESA-N 412.446 0.977 50 40 HCGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 29440094 LEDVZFCIOUVPBJ-SJCJKPOMSA-N 413.409 0.861 50 40 HCGB CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 96004052 FUFYMMDKTDSYAW-JTQLQIEISA-N 423.322 0.856 50 40 HCGB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)NNC(=O)c1ccccc1 408652660 GMXROTQKHWGPRM-INIZCTEOSA-N 424.413 0.184 50 40 HCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 4286976 OJCIJDYGNCNONV-UHFFFAOYSA-N 419.459 0.620 50 40 HCGB COc1nn(CC(=O)N/N=C\c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1[N+](=O)[O-] 8815631 MVBWZXMHPMLABN-BNCCVWRVSA-N 418.326 0.696 50 40 HCGB CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C1CCC1)c(=O)n2Cc1ccccc1 10161361 BCRWCUMYVQYNEI-UHFFFAOYSA-N 424.461 0.375 50 40 HCGB O=C(CNS(=O)(=O)Cc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 25163452 SKAJEWQHAGDHPR-INIZCTEOSA-N 405.432 0.093 50 40 HCGB COCCNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408784163 SYLAVNJUOQFBBP-JAIQZWGSSA-N 422.463 0.279 50 40 HCGB CCCc1c(C(=O)N/N=C(/C)c2ccc(-n3cnnn3)cc2)nnn1-c1nonc1N 9307649 HOJHRIOJCIJGHT-JMIUGGIZSA-N 422.413 0.315 50 40 HCGB CS(=O)(=O)N(CC(=O)N/N=C1/C(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 20034083 SRXPOYRJGXHGLA-UHFFFAOYSA-N 417.403 0.833 50 40 HCGB biogenic CC(=O)OC[C@@H]1O[C@@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 71789588 CYAYKKUWALRRPA-MEBFFEOJSA-N 411.201 0.464 50 40 HCGB in-vitro CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)Cl)N(C)C1 13298314 KDLRVYVGXIQJDK-UKGOLDLVSA-N 424.991 0.390 50 40 HCGB COC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1Br 19851741 XEIXXGGCIRPSLI-GIJQJNRQSA-N 414.256 0.783 50 40 HCGB Cc1cc(C)n(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 10024047 WPFBGFMLBICYIH-UHFFFAOYSA-N 413.887 0.621 50 40 HCGB CCOC(=O)[C@](NC(=O)CCl)(Nc1ccc(S(N)(=O)=O)cc1)C(F)(F)F 12412284 XOZYFGRDMLNHHD-GFCCVEGCSA-N 417.793 0.923 50 40 HCGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccs2)cc1 9317080 QGJLILLSTRZSLQ-UHFFFAOYSA-N 410.477 0.788 50 40 HCGB CCOC(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Br)CC1 16478157 AFVMIRVWFPKUGB-UHFFFAOYSA-N 413.272 0.984 50 40 HCGB COc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(N)=O 20000208 UQIOGVFRHKAQFD-JXFKEZNVSA-N 418.457 0.914 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 100282859 PRJLSAGKTCYAJF-HKOYGPOVSA-N 412.377 0.596 50 40 HCGB O=C(CCl)OC[C@@H](O)COc1ccc(OC[C@@H](O)COC(=O)CCl)cc1 5513743 BLNCHHQCHQHTKO-TXEJJXNPSA-N 411.234 0.730 50 40 HCGB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 13109904 HHNIKPQHZAIWFT-ZIAGYGMSSA-N 421.837 0.819 50 40 HCGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 23409408 GKVAQPHRECVBGC-FYWRMAATSA-N 407.448 0.498 50 40 HCGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CCc1n[nH]c(=O)[nH]c1=O 942377 SNIRAASSKKAYCJ-DJKKODMXSA-N 401.814 0.689 50 40 HCGB Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 14201878 MPXFTOAOLPELHI-UHFFFAOYSA-N 417.491 0.401 50 40 HCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1nc(N2CCOCC2)ncc1Cl 40140324 BNWQCFMKOUFTIM-CQSZACIVSA-N 419.825 0.568 50 40 HCGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C(N)=O 8990670 ZLRZQXXACODJPA-ZENNRRHLSA-N 414.443 0.477 50 40 HCGB COc1ccc(C)cc1N1C[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 25056501 DNZLQEWVODLXGY-CABCVRRESA-N 409.508 0.849 50 40 HCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(OC)c2O)cc1OC 409145137 MWRAXQBWIHHQBK-VXLYETTFSA-N 423.447 0.847 50 40 HCGB COCCCNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2ccccn2c1=O 5531234 WZIXUVIHQHZAJD-JQIJEIRASA-N 410.478 0.506 50 40 HCGB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1 8861344 TYDUYYAFORZZJE-UHFFFAOYSA-N 415.789 0.940 50 40 HCGB CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58872989 OQXVJUQPNUNCEN-SSVUZXLWSA-N 418.494 0.973 50 40 HCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 15902102 XNMNUPFAUUYENE-UHFFFAOYSA-N 405.432 0.805 50 40 HCGB COc1ccc(/C=N/OCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 20247920 QTECYGOECHVYRP-UFFVCSGVSA-N 410.386 0.489 50 40 HCGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(I)c1 4770216 VCLLKBNQROAIDP-VIFPVBQESA-N 408.155 0.886 50 40 HCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@@H]2CO[C@@H]1O2)c1ccccc1[N+](=O)[O-] 101075010 HGSMKWQRSIYGGO-HXSJOHSWSA-N 403.311 0.567 50 40 HCGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)cc2)s1 1626831 IHJOOMBCIZQOCJ-UHFFFAOYSA-N 410.843 0.968 50 40 HCGB C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 40143157 MSTFSYHLEHMRBL-GFCCVEGCSA-N 410.496 0.393 50 40 HCGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccnc3)CC2)cc1 36001098 GVJSZUFBVDOPNX-STZFKDTASA-N 401.492 0.847 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 13298316 KDLRVYVGXIQJDK-FIAFCULTSA-N 424.991 0.390 50 40 HCGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 12861252 XAXJFKDJEJPOHA-UHFFFAOYSA-N 413.356 0.878 50 40 HCGB O[C@H](CI)[C@@H]1OCO[C@@H](CI)[C@H]1O 5249479 IMODQIINIOVBTI-UCROKIRRSA-N 413.977 0.320 50 40 HCGB CCCn1nc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O 12904625 YJASCHMDRXNGRJ-UHFFFAOYSA-N 403.351 0.180 50 40 HCGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)c2ccccc21 1296258 HUDSQBRAXKSXIM-OAQYLSRUSA-N 407.382 0.618 50 40 HCGB Nc1nonc1-n1nnc(CN2CCCC2)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 2542061 ZWKOERBPFZBUDD-REZTVBANSA-N 416.358 0.093 50 40 HCGB Cn1c(=O)c2c(ncn2CC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])n(C)c1=O 9015147 JTUPEPWPJJTTOL-WTYNHFEKSA-N 411.378 0.157 50 40 HCGB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 17518927 QBSFFCOBXUYJCR-UHFFFAOYSA-N 404.386 0.541 50 40 HCGB Cn1c(=O)c2c(nc(NCCNC(=O)CCCl)n2Cc2ccccc2)n(C)c1=O 57681211 SRHPYMFBVWFEHJ-UHFFFAOYSA-N 418.885 0.639 50 40 HCGB CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 408607626 DULUYWDPCCJHOW-ZMOGYAJESA-N 412.446 0.977 50 40 HCGB Cn1nc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c2ccccc2c1=O 32992653 PJVKGFXIQQHIFP-SGTLLEGYSA-N 401.448 0.149 50 40 HCGB O=C(NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 102241902 INPRNPOJJSCGAA-GRDNDAEWSA-N 405.476 0.681 50 40 HCGB COc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(N)=O 20000203 UQIOGVFRHKAQFD-UZLBHIALSA-N 418.457 0.914 50 40 HCGB Cc1nc2c(I)cccc2c(=O)n1CC(=O)NNC(N)=S 1571753 GVHLXDRYKHIXHK-UHFFFAOYSA-N 417.232 0.174 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(OC)cc2)c2ccccc21 2277256 UBMXNOUBRGHZPZ-CLCOLTQESA-N 424.413 0.465 50 40 HCGB COc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N/NC(=O)C(=O)NN)cc1 16952970 BZIPLCNHHPWMBD-QRVIBDJDSA-N 405.455 0.881 50 40 HCGB O=C(CNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 5028416 LJPPJVUERGXXMM-MRXNPFEDSA-N 417.374 0.904 50 40 HCGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)s1 1626479 YMNPMWRWDLUBOS-UHFFFAOYSA-N 404.452 0.931 50 40 HCGB COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 3363569 VOFSLZLCJVJJDC-UHFFFAOYSA-N 419.459 0.791 50 40 HCGB CC1(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)OCCO1 28214509 JATKXYUEIHWATI-ORWNMUSCSA-N 405.451 0.964 50 40 HCGB CC1(C)O[C@H]([C@@H](CCl)OS(C)(=O)=O)[C@H]([C@@H](CCl)OS(C)(=O)=O)O1 104189355 FHSMMZCSHWSQPT-KYXWUPHJSA-N 415.313 0.674 50 40 HCGB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 21875246 AOWIPJTUMWGIBF-NHYWBVRUSA-N 423.422 0.480 50 40 HCGB COc1ccc(-c2noc(CNC(=O)C/C(C)=N\NC(=O)C(=O)NC(C)C)n2)cc1 9944308 MYKYTXWOWIRRNU-FMCGGJTJSA-N 416.438 0.768 50 40 HCGB CC1(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)OCCO1 28214505 JATKXYUEIHWATI-QQZPLFJDSA-N 405.451 0.964 50 40 HCGB Cc1ccc(N2C[C@H](C(=O)NNC(=S)NCCN3CCOCC3)CC2=O)cc1 25720617 YJPDXJJKJNGFPA-OAHLLOKOSA-N 405.524 0.175 50 40 HCGB CCC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](Br)[C@@H]1OC(=O)CC 12657752 NGLIYDLJNROMLW-IOEYQFCTSA-N 419.228 0.473 50 40 HCGB biogenic Cn1cc(Br)cc1C(=O)NNC(=O)CCn1cnc2c(cnn2C)c1=O 27810119 FCZDKVCAUDSWDL-UHFFFAOYSA-N 422.243 0.082 50 40 HCGB O=C(CN1CCOCC1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408850638 PYXPVVCOIGRMMH-XKZIYDEJSA-N 413.478 0.282 50 40 HCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@@H]2CO[C@@H]1O2)c1cccc([N+](=O)[O-])c1 101046272 FFBJWOJFUNBZLQ-UGRVRBRASA-N 403.311 0.567 50 40 HCGB O=C(NCCN1CCN(C(=O)C(Cl)Cl)CC1)c1nc2ccccc2c(=O)[nH]1 101675939 FJVIUUWSDQQQQX-UHFFFAOYSA-N 412.277 0.601 50 40 HCGB CCCc1c(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)nnn1-c1nonc1N 1890827 NBAROMBWKIAHIY-UFWORHAWSA-N 416.398 0.672 50 40 HCGB CCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CCO)cc2)cc1OC 58173804 CZSCHQMHJUNKCF-UHFFFAOYSA-N 422.459 0.935 50 40 HCGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1 8104818 BMZUGIXBNQKIPO-ZVHZXABRSA-N 412.446 0.595 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 13774298 SJQKTTVXOSREHZ-GLVIYYDGSA-N 410.386 0.449 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 255961395 GVMSTLHLGUNLCZ-QXSGKPNDSA-N 421.475 0.967 50 40 HCGB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NNC(=O)c1ccncc1 4711169 OCEPSFNZMFKQBW-UHFFFAOYSA-N 415.425 0.347 50 40 HCGB O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](Br)[C@@H]1O)c1ccccc1 103193745 WLMPSJVPCSSEDV-ASEORRQLSA-N 411.208 0.415 50 40 HCGB Cc1cc(C(F)(F)F)nn1CCC(=O)NNC(=O)CCn1ccc([N+](=O)[O-])n1 2739410 JOORQUUPLKOQPK-UHFFFAOYSA-N 403.321 0.943 50 40 HCGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408655583 HPEQMBQXMSUMMF-WKOIVZFLSA-N 411.414 0.186 50 40 HCGB CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2ccccc2c1=O 12971986 CGWWPQZUQCSWCK-ZDUSSCGKSA-N 423.429 0.819 50 40 HCGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3cccnc3)C(C(=O)N(C)C)=C2S1 3771929 OPEXIAZIOCYTSF-CQSZACIVSA-N 411.443 0.805 50 40 HCGB O=C(COc1ccccc1)NCC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1 6173598 JUCYBSBYRHRFCJ-UHFFFAOYSA-N 411.393 0.968 50 40 HCGB N#CCC(=O)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408739773 AHAQQPAAFJIWQA-LZUJDIRXSA-N 408.237 0.829 50 40 HCGB COc1cc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc(OC)c1OC 32967450 HKSRPMOODPMOLS-ADLMAVQZSA-N 409.464 0.927 50 40 HCGB NC(=O)[C@H](NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 26223872 HIRPNAYXNAIXMV-QGZVFWFLSA-N 402.476 0.932 50 40 HCGB Cc1nc2c(cc1C(=O)N/N=C/c1cc(O)cc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C 2286970 IECFEQSQQFSYLF-UFWORHAWSA-N 412.362 0.318 50 40 HCGB C/C(N)=C(/C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 25425329 GVMSTLHLGUNLCZ-FSFUAOGOSA-N 421.475 0.967 50 40 HCGB CCN(CC)Cc1c(C(=O)N/N=C(\C)c2ccc(O)cc2)nnn1-c1nonc1N 3973501 KQIAAEXVPYEZPF-RGVLZGJSSA-N 413.442 0.934 50 40 HCGB CCc1sc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C 40086577 ZGIDPODSASGHAH-NWDGAFQWSA-N 413.521 0.416 50 40 HCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 58873539 GLMFTNVJHANSRY-FSJBWODESA-N 416.434 0.578 50 40 HCGB Cn1nc(C(=O)NNC(=O)CSC(=S)N2CCCC2)c2ccccc2c1=O 6601084 HUKZELKHRPIMBH-UHFFFAOYSA-N 405.505 0.808 50 40 HCGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1ccncc1 2617893 UCVYLEHDFOPEJV-UHFFFAOYSA-N 424.244 0.696 50 40 HCGB O=C(CN1CCOCC1)NNC(=S)NC(=O)c1ccc(Br)cc1 66091662 LXHRYTYKBCNSHZ-UHFFFAOYSA-N 401.286 0.417 50 40 HCGB O=C(C[C@H]1NC(=O)NC1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 11658226 LCWWUUMFTPVPDK-MRXNPFEDSA-N 418.413 0.898 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 95215336 KDLRVYVGXIQJDK-ZXJYXBIKSA-N 424.991 0.390 50 40 HCGB O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1cc([N+](=O)[O-])ccc1O 35380417 QIEFBKIMQBOJIG-MNPVBQOISA-N 421.373 0.976 50 40 HCGB CCc1c(C(=O)NNC(=O)c2c(C)nc3ccccn23)cnn1-c1ccc(=O)[nH]n1 32423439 YECPJDGHAKKOJJ-UHFFFAOYSA-N 406.406 0.549 50 40 HCGB C[C@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12985501 MUVDFYCAFMPDIE-LBPRGKRZSA-N 408.480 0.147 50 40 HCGB COc1ccc(S(=O)(=O)N(C)CCCl)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 15441288 CDYRAIYHYGRXCZ-LLVKDONJSA-N 424.928 0.471 50 40 HCGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2)c2ccccc21 18324856 SAIYPYHFNPIMCK-CLCOLTQESA-N 408.414 0.847 50 40 HCGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H](C)Nc1n[nH]c(=O)[nH]c1=O 942385 OFVCRECXVMRMNE-WHGJXMNKSA-N 416.829 0.556 50 40 HCGB O=C(CI)NCc1ccc(C(=O)ON2C(=O)CCC2=O)cc1 100362533 XAYNWOYREHLKIM-UHFFFAOYSA-N 416.171 0.959 50 40 HCGB COC(=O)CC1=C(C(=O)OC)[C@H](c2cccc(OCC(N)=O)c2)C(C#N)=C(N)O1 1760755 RMSDOAVCEHAMPZ-MRXNPFEDSA-N 401.375 0.349 50 40 HCGB Cc1ccc2c(c1)/C(=N/NC(=O)CC(=O)N/N=C1/C(=O)Nc3ccc(C)cc31)C(=O)N2 13564122 AJPUHWWILWOOLO-UHFFFAOYSA-N 418.413 0.939 50 40 HCGB Cn1c(=O)c2ncn(CC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)c2n(C)c1=O 16363776 VQCVSAWJPBFXJP-KPSZGOFPSA-N 419.785 0.146 50 40 HCGB Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnn1-c1nonc1N 3095398 FADJJEYAHPVBBN-PJQLUOCWSA-N 402.287 0.121 50 40 HCGB O=C1CCC(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)=NN1 9490974 WIUDSHQKMHQRAE-UHFFFAOYSA-N 418.413 0.472 50 40 HCGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1CC(=O)OC 4517104 RNPKIHAZLMTMNJ-OAQYLSRUSA-N 407.382 0.476 50 40 HCGB O=C1NC(=O)C(=NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)C(=O)N1 5646988 ABMOYWYRWXWARK-UHFFFAOYSA-N 404.386 0.118 50 40 HCGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1OC 3640480 IOPYWQJJAXAJID-UFWORHAWSA-N 415.414 0.075 50 40 HCGB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cccs3)C2=O)cc1 8316080 AMIOBWOOUCLXPK-GOSISDBHSA-N 402.432 0.985 50 40 HCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1)c1cccs1 15162659 VWBYAUFVAJIGEJ-VCHYOVAHSA-N 417.455 0.280 50 40 HCGB O=C(CNC(=O)c1ccccc1)N/N=C/C=N/NC(=O)CNC(=O)c1ccccc1 5601432 SXOAZVVPMWAAKN-ASIDMNOUSA-N 408.418 0.050 50 40 HCGB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=O)c2cnccn2)C(C)C)c1 11529335 MXAAVUVVPHVAAP-MRXNPFEDSA-N 401.423 0.709 50 40 HCGB N#CC1=C(N)Oc2ccccc2[C@]12C(=O)N(CC(N)=O)c1c2c(=O)oc2ccccc12 13483395 UWCIOKRPWHKYKF-QFIPXVFZSA-N 414.377 0.997 50 40 HCGB COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)ccc1OC(C)=O 2542053 YJYORECLGICPHY-CNHKJKLMSA-N 400.355 0.239 50 40 HCGB Nc1nonc1-n1nnc(C(=O)NN=C2CCCCCC2)c1CN1CCOCC1 19905404 WFZGISHVYNXERP-UHFFFAOYSA-N 403.447 0.505 50 40 HCGB O=C(CCl)OC[C@H](O)COc1ccc(OC[C@@H](O)COC(=O)CCl)cc1 5513749 BLNCHHQCHQHTKO-VXGBXAGGSA-N 411.234 0.730 50 40 HCGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)c(N2CCOCC2)o1 59679069 PXHZETFCIFJCKI-LICLKQGHSA-N 401.261 0.661 50 40 HCGB C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2cccn2C)nnn1-c1nonc1N 33694876 BFZKVXCWKYYMRY-XGTDKWECSA-N 412.458 0.709 50 40 HCGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccncc2)c2ccccc21 18121860 GGWPOOMVLVEUKH-MOHJPFBDSA-N 409.402 0.242 50 40 HCGB O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](Br)[C@@H]1O)c1ccccc1 225661575 WLMPSJVPCSSEDV-DEQVHRJGSA-N 411.208 0.415 50 40 HCGB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 39995709 RQVNBNHQAJRVFH-GJZGRUSLSA-N 411.480 0.520 50 40 HCGB O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 12930958 UWFLAFBOBGSNRF-INIZCTEOSA-N 405.432 0.342 50 40 HCGB O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 47296893 NTVSVSSCTAGFLQ-CVEARBPZSA-N 407.390 0.815 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)NC[C@H]1CCCO1 58880654 VVAGTXUDEDBLFT-ZMPUUUETSA-N 416.478 0.823 50 40 HCGB CCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC 102375766 FNNOENXEMAXHTQ-ZIAGYGMSSA-N 401.419 0.806 50 40 HCGB Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)no1 408643446 ABPGNFVBCFTFOR-UHFFFAOYSA-N 408.798 1.360 50 40 HCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 409256568 PIFXDASJMVEEHS-LTNVFZTJSA-N 402.451 0.433 50 40 HCGB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)NNC(=O)c1ccccc1 3306237 FAZGEPARSNEHCC-UHFFFAOYSA-N 406.398 0.961 50 40 HCGB COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)N(C)C 12736747 XQBRCFXFWZYALL-CYBMUJFWSA-N 419.525 0.051 50 40 HCGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccncc3)CC2)cc1 30743259 FIEBCAJFKJTCRR-STZFKDTASA-N 401.492 0.847 50 40 HCGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](N)CO 4773964 BNHOUMBVZFZMRQ-JKSUJKDBSA-N 420.337 0.881 50 40 HCGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2c(C)cccn2c1=O 5563171 RSEWTOFCCUOPTH-FOWTUZBSSA-N 420.473 0.914 50 40 HCGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 29440090 LEDVZFCIOUVPBJ-PXAZEXFGSA-N 413.409 0.861 50 40 HCGB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 39995708 RQVNBNHQAJRVFH-HUUCEWRRSA-N 411.480 0.520 50 40 HCGB O=C1CN(S(=O)(=O)c2ccc(C(=O)NNCc3cc(F)ccc3F)cc2)CCN1 84388122 ZFNJWXKTFVQGBO-UHFFFAOYSA-N 424.429 0.520 50 40 HCGB O=C(NNC(=S)NC1CCCCC1)C(=O)NNC(=S)NC1CCCCC1 6691833 FUBGMYLETQDPQD-UHFFFAOYSA-N 400.574 0.642 50 40 HCGB COc1ccc(OCC(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 14083045 RYPTZWWNXWOVSB-HOTGVXAUSA-N 403.435 0.787 50 40 HCGB COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 3396305 IHVYXWFMLYSLJC-UHFFFAOYSA-N 419.459 0.791 50 40 HCGB Cc1nc2c(cc1C(=O)NN=Cc1cc(O)cc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C 15979643 IECFEQSQQFSYLF-UHFFFAOYSA-N 412.362 0.318 50 40 HCGB Cn1c(=O)c2c(nc(SCC(=O)NN)n2CCCc2ccccc2)n(C)c1=O 32815354 AIRVVUXRXVRCGQ-UHFFFAOYSA-N 402.480 0.149 50 40 HCGB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c2ccccc2O)cc1 6602432 KXBUGURWGLSKGI-LLVKDONJSA-N 405.432 0.723 50 40 HCGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9130947 ZBXRRBAJJRHDLE-ZDUSSCGKSA-N 409.468 0.719 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)NC[C@@H]1CCCO1 28214358 ORGXFBUHXFXNAE-YPKZHZFPSA-N 404.467 0.143 50 40 HCGB O=C(NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 47296895 NTVSVSSCTAGFLQ-HZPDHXFCSA-N 407.390 0.815 50 40 HCGB Cc1noc2ncc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc12 32908256 ZKDSSJPXSSDPNR-UHFFFAOYSA-N 403.420 0.856 50 40 HCGB CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](C)Cl)N(C)C1 100070732 KDLRVYVGXIQJDK-YCRXGBIPSA-N 424.991 0.390 50 40 HCGB in-vitro CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)Cc2ccc(OC)cc2)CC1 4696089 SUTYDZIFWGNENZ-UHFFFAOYSA-N 419.478 0.967 50 40 HCGB CC(=O)O[C@H]1CO[C@@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5369390 QMJJEUBKQJZIGH-UMSGYPCISA-N 409.779 0.070 50 40 HCGB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 33028655 AOWIPJTUMWGIBF-ABAIWWIYSA-N 423.422 0.480 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccccc2OC)c2ccccc21 100282848 YUOHRCBQDMZYLS-LYBHJNIJSA-N 424.413 0.465 50 40 HCGB COc1ccc(/C(C)=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1[N+](=O)[O-] 25781817 RNLSAEBYEOSNIX-REZTVBANSA-N 401.343 0.612 50 40 HCGB COc1ccc(OCC(=O)NNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 102837465 RYPTZWWNXWOVSB-HZPDHXFCSA-N 403.435 0.787 50 40 HCGB CCOC(=O)C1=c2s/c(=C\C(=O)OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccs1 8757231 MQFUYBGSSSZMCY-LWMSPQMPSA-N 417.468 0.087 50 40 HCGB Cn1nc(C(=O)NNC(=O)c2ccc(N3CCOCC3)cc2)c2ccccc2c1=O 58245711 AKAGHOLJAVQQMO-UHFFFAOYSA-N 407.430 0.845 50 40 HCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 409256564 PIFXDASJMVEEHS-BFTVFPACSA-N 402.451 0.433 50 40 HCGB COC(=O)c1cc(N/N=C2\C(=O)N(CCO)C(=O)C(C#N)=C2C)cc(C(=O)OC)c1 101114740 JFHKMHOJTBDTTQ-JCMHNJIXSA-N 414.374 0.229 50 40 HCGB COc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2ccccn2)C(C)C)cc1 21001149 NMOPIYMTZBWNIE-INIZCTEOSA-N 406.464 0.854 50 40 HCGB COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(=O)NN)cc3)CC2)cc1 32659539 XKLVVXNIMUEQHJ-SFHVURJKSA-N 400.479 0.861 50 40 HCGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OC)cc1 408608680 IECKWKXUPSSASG-SSDVNMTOSA-N 414.418 0.917 50 40 HCGB Cn1cnnc1SCC(=O)NNC(=O)COc1ccc(Br)cc1 5936619 RFXXXWBNHUKBJR-UHFFFAOYSA-N 400.258 0.896 50 40 HCGB O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@@H]2CO[C@@H]1O2)c1cccc([N+](=O)[O-])c1 101046268 FFBJWOJFUNBZLQ-UUMQHJJASA-N 403.311 0.567 50 40 HCGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccco2)cc1 58873052 FVZFBUXTWSOABG-FMCGGJTJSA-N 416.434 0.578 50 40 HCGB C#CCN1C(=O)/C(=N/NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100431787 GVDRIJGPNQHYKE-HJVPCKCQSA-N 418.409 0.443 50 40 HCGB CC(=O)OC[C@@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4352563 CYAYKKUWALRRPA-ZUWCUPBKSA-N 411.201 0.464 50 40 HCGB O=C(NC[C@H]1COc2ccccc2O1)NNC(=O)c1csc(N2CCOCC2)n1 12986187 BEUDEYPEZNOACR-LBPRGKRZSA-N 419.463 0.764 50 40 HCGB O=C(Cn1cncn1)N/N=C\c1ccc(OC(=O)/C=C2\SC(=O)NC2=O)cc1 32509087 DMIMYCMZCWWQCR-KOOZIORTSA-N 400.376 0.201 50 40 HCGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C(\C)c1ccccc1O 25781898 STBMBHIZFLRONS-RGVLZGJSSA-N 413.442 0.934 50 40 HCGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cc(Br)ccc1O 19831268 SGZABQNIUFRZED-YBFXNURJSA-N 413.272 0.443 50 40 HCGB COc1ccccc1N(CC(=O)NN=C1C(=O)Nc2ccccc21)S(C)(=O)=O 408908120 TZWNJNPFCATVRQ-UHFFFAOYSA-N 402.432 0.934 50 40 HCGB CCNC(=S)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 13096306 KKTWHKQESRNCRM-UHFFFAOYSA-N 416.525 0.422 50 40 HCGB O=C(CNC(=O)[C@H](CO)NC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 104096605 LJPPJVUERGXXMM-INIZCTEOSA-N 417.374 0.904 50 40 HCGB CCCc1c(C(=O)N/N=C/c2ccccc2OCC(=O)O)nnn1-c1nonc1N 1877848 NHEHXHRFBQIPJQ-UFWORHAWSA-N 414.382 0.412 50 40 HCGB CCOC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9242507 HPBKCHCFAOUACO-SFHVURJKSA-N 410.346 0.748 50 40 HCGB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1ccco1)n2C 9520143 SWUDOONPKCXEBD-UHFFFAOYSA-N 419.463 0.810 50 40 HCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2C(=O)O)cc1OC 409149306 BDVXEQLRQRAVGL-VXLYETTFSA-N 421.431 0.831 50 40 HCGB CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 3830581 KDLRVYVGXIQJDK-VYIQJDKMSA-N 424.991 0.390 50 40 HCGB in-vitro O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)CN1CCCc2ccccc21 24014265 PJVOHKUXRQWMCT-UHFFFAOYSA-N 413.478 0.841 50 40 HCGB O=C(COC(=O)CNC(=O)c1cccc(F)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 3428898 UMMJIQYHTRNDRJ-UHFFFAOYSA-N 418.337 0.468 50 40 HCGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2=O)cc1 6602530 SCACJDRZUWDKHW-KRWDZBQOSA-N 419.445 0.780 50 40 HCGB O=C(CCl)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 2265208 IYQUIQQRLJAUIA-CQSZACIVSA-N 402.716 0.591 50 40 HCGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)ccc1OCC(=O)N1CCCC1 6960736 BMCNCTISDOOQMP-LPYMAVHISA-N 420.466 0.299 50 40 HCGB O=C1NC(=O)C(=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)C(=O)N1 8742062 HQQXFCRCLPXMAZ-XFXZXTDPSA-N 411.399 0.357 50 40 HCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 1245145 KCCYHIYSUDZDJW-QQTULTPQSA-N 420.425 0.934 50 40 HCGB NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12609604 HBIFRCYXDUVBDQ-YJBOKZPZSA-N 423.429 0.735 50 40 HCGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)c1ccc(N)cc1 13425194 CXIFNXPZEKYLLG-WSDLNYQXSA-N 424.469 0.955 50 40 HCGB CC(=O)OC[C@@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4352561 CYAYKKUWALRRPA-HTVCTNPSSA-N 411.201 0.464 50 40 HCGB CCOC(=O)N1CCN(C(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)CC1 4899136 BYRQFRXNGIXFEP-UHFFFAOYSA-N 412.830 0.167 50 40 HCGB CCc1sc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C 40086576 ZGIDPODSASGHAH-VXGBXAGGSA-N 413.521 0.416 50 40 HCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@H]1O2)c1cccc([N+](=O)[O-])c1 225106391 FFBJWOJFUNBZLQ-PPZKLTISSA-N 403.311 0.567 50 40 HCGB O=S1(=O)CC[C@@H](NC(=S)SSC(=S)N[C@@H]2CCS(=O)(=O)C2)C1 9308040 XUTMTEALVWZFQX-HTQZYQBOSA-N 420.650 0.491 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@@H](C)CC[C@H]2C(=O)N(C)C(=O)[C@@H]21 58159498 PENSZXSOVNCGMM-DECQCQTCSA-N 417.462 0.889 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 5793911 PRJLSAGKTCYAJF-MOHJPFBDSA-N 412.377 0.596 50 40 HCGB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 39995710 RQVNBNHQAJRVFH-LSDHHAIUSA-N 411.480 0.520 50 40 HCGB CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58872991 OQXVJUQPNUNCEN-HUTJOEHLSA-N 418.494 0.973 50 40 HCGB Nc1nonc1/N=N/N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1nonc1N 16400336 WXSWAGGHHFZYAQ-VXULRWBHSA-N 416.318 0.181 50 40 HCGB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2cnccn2)C(C)C)c1 11529331 MXAAVUVVPHVAAP-INIZCTEOSA-N 401.423 0.709 50 40 HCGB O=C(CCl)N(CCCCCO[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 217381964 RZYONJKOFOJXNW-KGLIPLIRSA-N 415.961 0.615 50 40 HCGB COCc1c(C(=O)N/N=C/c2cccc(Br)c2)nnn1-c1nonc1N 994222 NZMBPGAVNBGNMS-UBKPWBPPSA-N 421.215 0.905 50 40 HCGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 12921042 ZVHKVHGCDOJIDY-QGZVFWFLSA-N 419.459 0.651 50 40 HCGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 1245814 BEPRIOVZVJJIEI-OFGUMHRGSA-N 420.425 0.996 50 40 HCGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)N1CCCC1 6326179 JJUZMJVOMFUPJX-WSDLNYQXSA-N 404.467 0.919 50 40 HCGB Cn1c(=O)c2c(ncn2CC(=O)N/N=C/C(Cl)=C/c2ccccc2)n(C)c1=O 1294030 UYQNKRFDYQWNCV-VMPQGERRSA-N 400.826 0.816 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 104353558 QURBMGJBUATBFW-ILAUDAFCSA-N 415.855 0.236 50 40 HCGB O=C(NNC(=S)NCc1ccccc1)C(=O)NNC(=S)NCc1ccccc1 5127351 ODIMAUXMCQISFG-UHFFFAOYSA-N 416.532 0.377 50 40 HCGB C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1ccccc1O 25781953 XRXHUEARLLFSLF-RGVLZGJSSA-N 411.426 0.688 50 40 HCGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3cnccn3)n2C)cc1 15023302 QIJJPWGHDYDWRV-UHFFFAOYSA-N 413.463 0.763 50 40 HCGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408771554 JDUOUNFZMWUFNH-NDENLUEZSA-N 422.463 0.361 50 40 HCGB O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)NNC(=O)c1ccco1 12468676 JIZGBUZEMHQEQA-UHFFFAOYSA-N 402.392 0.580 50 40 HCGB O=C(O)CCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1O[C@H]2[C@H](Br)[C@H]1Br 104569378 PSYPMZHYOHPZFW-HQBQHRAMSA-N 411.046 0.760 50 40 HCGB COCCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 409154991 PQPJYLNGAYKWIW-FRKPEAEDSA-N 421.191 0.218 50 40 HCGB Cn1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)c2ccccc21 8145336 GGCCBNZDLTZGDO-UHFFFAOYSA-N 413.459 0.547 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 103099469 UNUYSOINWTVXEJ-SSZFMOIBSA-N 407.448 0.498 50 40 HCGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)c1 28213073 QUSXBYIBUOFJNO-SRZZPIQSSA-N 418.475 0.775 50 40 HCGB CCn1nc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c2ccccc2c1=O 32992648 IZWDAJBQBGSDQT-BFUOFWGJSA-N 415.475 0.631 50 40 HCGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)CN3CCOCC3)C(=O)NC2=S)cc1C 103864092 GXPMTCJTOPXYQL-IXJMWADBSA-N 417.491 0.102 50 40 HCGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](N)CO 4773965 BNHOUMBVZFZMRQ-HOTGVXAUSA-N 420.337 0.881 50 40 HCGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1 408883396 POPZTVFOEMWNPT-RGVLZGJSSA-N 404.448 0.467 50 40 HCGB O=C(CSc1nncn1-c1ccccc1)NNC(=O)C[C@@H]1SC(=O)NC1=O 32597865 FBSZBRAYOVXCRR-JTQLQIEISA-N 406.449 0.249 50 40 HCGB C=CCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 8109330 DVSGXOSYYWSCQF-FRKPEAEDSA-N 403.176 0.758 50 40 HCGB O=C(NNC(=O)c1cc(C2CC2)[nH]n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 30513106 ABFJABFWNKCZIQ-UHFFFAOYSA-N 419.463 0.383 50 40 HCGB Cn1c(=O)c2ncn(CC(=O)N/N=C\c3cccc(Br)c3)c2n(C)c1=O 30956034 BUCORBPXDDWRAA-GXHLCREISA-N 419.239 0.347 50 40 HCGB Cn1cccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 40159753 KNHKVELARJIYKU-UHFFFAOYSA-N 420.491 0.440 50 40 HCGB O=C(C[C@H]1CCS(=O)(=O)C1)NNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 40060230 YSAVNTFNUGGPBA-MRVPVSSYSA-N 411.845 0.383 50 40 HCGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)N2CCOCC2)c([N+](=O)[O-])c1 101421229 ZBSGLJPLVBTMRB-YBFXNURJSA-N 407.383 0.283 50 40 HCGB O=C(CCl)N(CCCCCO[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 217382114 RZYONJKOFOJXNW-KBPBESRZSA-N 415.961 0.615 50 40 HCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58873346 WBQJUSLICHWYRE-HPMPDSITSA-N 404.467 0.583 50 40 HCGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 13134856 DIWIQRPJQRUUCH-UHFFFAOYSA-N 410.477 0.458 50 40 HCGB C[C@@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 3212448 IYISASBAXTWGJN-SNVBAGLBSA-N 416.350 0.587 50 40 HCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 1241062 GVDRIJGPNQHYKE-IHCLVQKISA-N 418.409 0.443 50 40 HCGB Cn1nnnc1SCC(=O)NNC(=O)COc1ccc(Br)cc1 3443439 GHGSZGGQOZBJPF-UHFFFAOYSA-N 401.246 0.291 50 40 HCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 6960757 JVASCDAPSLOVGS-LPYMAVHISA-N 418.450 0.075 50 40 HCGB O=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)c1n[nH]c(=O)c2ccccc12 17195745 WZGCWVOLFPASBC-UHFFFAOYSA-N 421.413 0.890 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)NC[C@@H]1CCCO1 58880650 VVAGTXUDEDBLFT-XNQWGTPPSA-N 416.478 0.823 50 40 HCGB COC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 9440068 XHEHKYYVGZGGJP-UHFFFAOYSA-N 416.415 0.343 50 40 HCGB Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 15885012 FUVHZZKTZQURLB-UHFFFAOYSA-N 411.374 0.871 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1[C@@H](C)CC[C@H]2C(=O)N(C)C(=O)[C@@H]12 195529651 PENSZXSOVNCGMM-RUZGCFLTSA-N 417.462 0.889 50 40 HCGB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)NNC(=O)c1ccccc1 408652664 GMXROTQKHWGPRM-MRXNPFEDSA-N 424.413 0.184 50 40 HCGB O=C(O)CCCN1C(=O)[C@@H]2[C@H]3O[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101052634 PSYPMZHYOHPZFW-SWKORFGHSA-N 411.046 0.760 50 40 HCGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)NNC(=O)c1ccccc1 165711312 OXEGZAOBSYMIKN-USJZOSNVSA-N 413.430 0.412 50 40 HCGB COCCNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 2204486 JHNKULLKWAMGDU-DTQAZKPQSA-N 410.478 0.424 50 40 HCGB NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 12609610 HBIFRCYXDUVBDQ-CRAIPNDOSA-N 423.429 0.735 50 40 HCGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)C3CCN(C(C)=O)CC3)C2=O)cc1 100188977 QBAZZTRNFIPVPV-QGZVFWFLSA-N 402.451 0.597 50 40 HCGB CCc1c(C(=O)NNC(=O)COc2c(C)cccc2C)cnn1-c1ccc(=O)[nH]n1 12945027 QPDJXHOTNXFXEW-UHFFFAOYSA-N 410.434 0.975 50 40 HCGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 245264590 DFYBNFNAIQNPIA-LHEWDLALSA-N 424.596 0.354 50 40 HCGB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2O)cc1 9634957 GROHXXBTOZYIMP-UHFFFAOYSA-N 420.447 0.480 50 40 HCGB O=C(CSCc1cc(=O)n2ccsc2n1)NNS(=O)(=O)c1ccccc1 12951616 JJECOHBKUCMARI-UHFFFAOYSA-N 410.502 0.999 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 100282932 YNCSIHBKYDAWMF-HIXSDJFHSA-N 408.414 0.385 50 40 HCGB CCC(=O)OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@@H](Br)[C@H]1OC(=O)CC 253499781 NGLIYDLJNROMLW-GZBPVQSJSA-N 419.228 0.885 50 40 HCGB biogenic O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409169998 RTVRHSBCVWEEDF-BUVRLJJBSA-N 424.457 0.691 50 40 HCGB COC(=O)C1=c2s/c(=C/c3cccnc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccnc1 8742304 ICXCKNSIYUVEDG-WPBGYSLVSA-N 417.450 0.301 50 40 HCGB CCCc1c(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)nnn1-c1nonc1N 2453212 VVRYSVMCFKBLSS-UFWORHAWSA-N 414.382 0.412 50 40 HCGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3204423 FEOQWPUZXIQTKX-GZTJUZNOSA-N 408.392 0.973 50 40 HCGB O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@H]1O2)c1ccccc1[N+](=O)[O-] 225111912 HGSMKWQRSIYGGO-FXKMCAKJSA-N 403.311 0.567 50 40 HCGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1 408730840 JHFQEQDERIFOHZ-OMCISZLKSA-N 422.379 1.436 50 40 HCGB O=C(CCN1CCOCC1)NNC(=S)NC(=O)c1ccc(Br)cc1 19882152 FYLUKCVCKGVMPZ-UHFFFAOYSA-N 415.313 0.807 50 40 HCGB O=C(CCNC(=O)c1ccccc1)NNC(=O)Cc1csc(N2CCOCC2)n1 22601778 HMLJPKQXQUXVFF-UHFFFAOYSA-N 417.491 0.490 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)NC[C@H]1CCCO1 28214362 ORGXFBUHXFXNAE-FNLSEGDXSA-N 404.467 0.143 50 40 HCGB C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCCCCC2=O)c1 33028201 MQAWLAQCTIRMJL-UHFFFAOYSA-N 408.480 0.315 50 40 HCGB CN1C(=C(C#N)C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)N(C)c2ccccc21 5894540 YNTHKFAIMSKANQ-UHFFFAOYSA-N 411.418 0.750 50 40 HCGB N#Cc1ccc(Nc2cnc([C@@H]3CCCN3Cc3cccc(B(O)O)c3)cn2)cn1 585292856 AYTMQGLXCWHSNQ-FQEVSTJZSA-N 400.251 1.504 50 40 HCGB COc1ccc(C)cc1N1C[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 25056485 DNZLQEWVODLXGY-LSDHHAIUSA-N 409.508 0.849 50 40 HCGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408655580 HPEQMBQXMSUMMF-RZQILNRJSA-N 411.414 0.186 50 40 HCGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc(OC)c1O 1870041 LTZLEPIZTOWOFP-FBCYGCLPSA-N 416.398 0.843 50 40 HCGB Cc1cccc(OCC(=O)NNC(=O)C2CCN(c3ccc4nncn4n3)CC2)c1 32779756 IHCOWODHASPHFE-UHFFFAOYSA-N 409.450 0.876 50 40 HCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1 8103382 XGRKUFGERKIQSO-LPYMAVHISA-N 420.466 0.299 50 40 HCGB CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c2ccccc2c1=O 12971988 CGWWPQZUQCSWCK-CYBMUJFWSA-N 423.429 0.819 50 40 HCGB C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/CO)C[C@](O)(CCl)[C@@H]1C=C[C@](C)(O)[C@@H]21 257450115 IXLMITLRFJSJRS-ISCKTJJTSA-N 412.866 0.861 50 40 HCGB NC(=O)[C@@H](NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 26223870 HIRPNAYXNAIXMV-KRWDZBQOSA-N 402.476 0.932 50 40 HCGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 40060229 YSAVNTFNUGGPBA-QMMMGPOBSA-N 411.845 0.383 50 40 HCGB COc1ccccc1C(=O)NCC(=O)OCC(=O)NNC(=O)c1ccc(F)cc1 3397452 FUSLIYWALQRANT-UHFFFAOYSA-N 403.366 0.569 50 40 HCGB O=C(CN1CCCc2ccccc21)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 6508544 SSYRQKGPZLNYBZ-UHFFFAOYSA-N 407.430 0.290 50 40 HCGB CCn1nc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c2ccccc2c1=O 32992646 IZWDAJBQBGSDQT-ORAYPTAESA-N 415.475 0.631 50 40 HCGB NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 12609608 HBIFRCYXDUVBDQ-MAUKXSAKSA-N 423.429 0.735 50 40 HCGB CCC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](Br)[C@H]1OC(=O)CC 33904021 NGLIYDLJNROMLW-DGJRKYIQSA-N 419.228 0.473 50 40 HCGB CCOc1cc(/C=N\NC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1OCC(N)=O 409199086 AZNVCMIMLNWQHH-SCDVKCJHSA-N 404.383 0.513 50 40 HCGB O=C(COc1ccc(Cl)cc1Br)NN=C1C(=O)NC(=O)NC1=O 3033803 NCWNHLTUZIJQSD-UHFFFAOYSA-N 403.576 0.320 50 40 HCGB O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8395352 BOPLAIXDMNEQFM-CVEARBPZSA-N 421.475 0.899 50 40 HCGB CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cc1 12880517 QMAZMPXFBMPFDW-UHFFFAOYSA-N 420.472 0.766 50 40 HCGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccccc2C#N)s1 1626480 KCNLKZVVKWYDQK-UHFFFAOYSA-N 401.408 0.186 50 40 HCGB CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 12772021 HXJXVDFQLLWIMS-UHFFFAOYSA-N 415.269 0.771 50 40 HCGB CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58872948 XQJFYDWGIPDWLY-SXOHWRJOSA-N 404.467 0.725 50 40 HCGB COc1ccc(CC(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 17147288 SSAXUAJYOGIQOK-UHFFFAOYSA-N 411.374 0.735 50 40 HCGB Cn1c(=O)c2nc(NNC(=O)c3ccc(Br)cc3)cnc2n(C)c1=O 3190329 YBDAENSHIBSUNP-UHFFFAOYSA-N 405.212 0.547 50 40 HCGB O=C(COc1ccc(Br)cc1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 10105037 XGFFYNRFUCMRBU-SNVBAGLBSA-N 405.270 0.800 50 40 HCGB CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408866922 HKJDSCDCDVVAAL-UUYOSTAYSA-N 413.434 0.899 50 40 HCGB O=C(NNC(=S)NCc1ccco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12496877 SCLBTDFQKJNYEE-UHFFFAOYSA-N 424.504 0.610 50 40 HCGB CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21 9743131 NXUYGMCNDSQDSQ-JOCHJYFZSA-N 420.425 0.976 50 40 HCGB COCCNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O 2200846 ITDWUVBMWCWQSC-NTCAYCPXSA-N 424.461 0.066 50 40 HCGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)CN3CCOCC3)C(=O)NC2=S)cc1C 103864094 GXPMTCJTOPXYQL-VYXQJKENSA-N 417.491 0.102 50 40 HCGB NC(=O)N/N=C(\Cc1cc(=O)oc2cc(O)ccc12)C(=O)Nc1ccccc1C(N)=O 16958208 YRSWRKLYEFMCGQ-BUVRLJJBSA-N 423.385 0.803 50 40 HCGB O=C(CNS(=O)(=O)c1ccccc1F)NNC(=O)c1cc(-c2ccccc2)n[nH]1 9669349 NJNUYEOKWPHOFH-UHFFFAOYSA-N 417.422 0.955 50 40 HCGB Nc1cc(N)nc(SCC(=O)NNC(=O)CSc2nc3ccccc3o2)n1 19957134 CZEDZTQKUJIESJ-UHFFFAOYSA-N 405.465 0.814 50 40 HCGB C=CC(=O)N(C)CC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1540578363 GDQIGMDUOCQEFE-UHFFFAOYSA-N 419.445 0.794 50 40 HCGB O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@@H]1O2)c1ccccc1[N+](=O)[O-] 9424740 HGSMKWQRSIYGGO-DAIXFLQBSA-N 403.311 0.567 50 40 HCGB Cc1nn(CCC(=O)NNC(=S)NCCCN2CCOCC2)c(C)c1[N+](=O)[O-] 17089592 IEMUHZYIANHDAF-UHFFFAOYSA-N 413.504 0.016 50 40 HCGB COc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)cc1 20060422 BCELNDIQILIBBU-UHFFFAOYSA-N 402.432 0.934 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@@H](C)CC[C@H]2C(=O)N(C)C(=O)[C@H]21 195529652 PENSZXSOVNCGMM-QIZIZJAASA-N 417.462 0.889 50 40 HCGB CCn1c(NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc2ccccc2c1=O 105554096 GMWJQBBKPFDZEO-IYVPYFHTSA-N 407.430 0.667 50 40 HCGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 5450682 MSRDROWILBVAOA-UHFFFAOYSA-N 414.443 0.794 50 40 HCGB COc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N(C)C 12782135 HEAHHSDTEGZIAQ-UHFFFAOYSA-N 421.431 0.749 50 40 HCGB NC(=O)N/N=C(/Cc1cc(=O)oc2cc(O)ccc12)C(=O)Nc1ccccc1C(N)=O 103842422 YRSWRKLYEFMCGQ-IWIPYMOSSA-N 423.385 0.803 50 40 HCGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(O)cc1O 409001870 XFWMVMAGBUQNLC-CHHVJCJISA-N 405.192 0.485 50 40 HCGB COc1cccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c1OC(C)=O 2542049 FEGPQUVANXDZII-CNHKJKLMSA-N 400.355 0.239 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 103105589 GVMSTLHLGUNLCZ-ZFZJTJTISA-N 421.475 0.967 50 40 HCGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cn2ccccc2=O)o1 29231773 GLMPDMKVJKNDAH-UHFFFAOYSA-N 405.370 0.801 50 40 HCGB CCCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)Cn2cncn2)cc1 48310275 DJYRMOOWPWRITI-UHFFFAOYSA-N 402.455 0.815 50 40 HCGB CN(C)N(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 12607513 PRPZBCQMWFUMQR-AWEZNQCLSA-N 412.468 0.537 50 40 HCGB COc1cc(OC)cc(C(=O)NNC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 13555407 GERWAVKBXTVGJD-UHFFFAOYSA-N 410.477 0.983 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 9595826 ISXFPOXJTSUQRF-CQSZACIVSA-N 421.475 0.979 50 40 HCGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 4088541 SLXHZJUUDSIUOG-INIZCTEOSA-N 405.432 0.538 50 40 HCGB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1728285 FBWLZQQHKDNVAZ-UHFFFAOYSA-N 407.404 0.903 50 40 HCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2n[nH]c3ccccc23)cc1 5268125 WWTLHISHPMZGBL-UHFFFAOYSA-N 401.448 0.953 50 40 HCGB Nc1nonc1/N=N/N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1nonc1N 14922318 VDIHXJCPDSOVIL-VXULRWBHSA-N 416.318 0.181 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 103099405 GKVAQPHRECVBGC-SQFISAMPSA-N 407.448 0.498 50 40 HCGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1ccc(O)cc1 408731190 LDGPXRVZEQDFRO-REZTVBANSA-N 415.391 0.390 50 40 HCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2C)c2ccccc21 6056221 MCLIYGLCLPMPCW-DAFNUICNSA-N 404.426 0.990 50 40 HCGB CN1CCN(Cc2c(C(=O)N/N=C/[C@H]3CC=CCC3)nnn2-c2nonc2N)CC1 20101428 IJTMUPTUNITYQB-HSWQHBDASA-N 414.474 0.052 50 40 HCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CNC(=O)C2CCCC2)cc1 31490085 DKHZHNHPDCMPGU-UHFFFAOYSA-N 410.496 0.069 50 40 HCGB Nc1nonc1/N=N/N(CC(=O)N/N=C/c1ccccc1Cl)c1nonc1N 8856224 PODFRQSRVPUTJV-WKSDWFHKSA-N 405.766 0.926 50 40 HCGB O=C(CSc1nncn1-c1ccccc1)NNC(=O)C[C@H]1SC(=O)NC1=O 32597867 FBSZBRAYOVXCRR-SNVBAGLBSA-N 406.449 0.249 50 40 HCGB CCc1c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cnn1-c1ccc(=O)[nH]n1 12985611 YWGWFDAXONXONO-NSHDSACASA-N 414.397 0.886 50 40 HCGB COc1ccc(C)cc1N1C[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 25056496 DNZLQEWVODLXGY-GJZGRUSLSA-N 409.508 0.849 50 40 HCGB CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)s1 32203663 JRQXACFXAGACKI-UHFFFAOYSA-N 411.461 0.643 50 40 HCGB Nc1nnnn1CC(=O)N/N=C/c1cc(Br)cc(Br)c1O 2317333 CLBNWYILPORSNV-LZWSPWQCSA-N 419.037 0.636 50 40 HCGB COC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccncc1 8965451 GBOCTUSUMGBHSQ-KMPOOHAWSA-N 417.450 0.301 50 40 HCGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c(OC)c1 13922021 WAWWVTLDBABIPB-UFFVCSGVSA-N 400.391 0.657 50 40 HCGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)c2ccccc21 1296256 HUDSQBRAXKSXIM-NRFANRHFSA-N 407.382 0.618 50 40 HCGB Cc1nn(C)c(=O)c(C(=O)N2CSC[C@@H]2C(=O)NNC(=O)c2ccccc2)c1C 72296523 FYNUQACDRCJZJK-CQSZACIVSA-N 415.475 0.373 50 40 HCGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 6879446 CSHHSJYTDGPNTJ-LPYMAVHISA-N 420.466 0.299 50 40 HCGB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2cccs2)cc1 9883017 FMRXCDZDDXZQNV-JTQLQIEISA-N 410.477 0.835 50 40 HCGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58874000 TYDOEAKFGOLQDQ-QQZPLFJDSA-N 404.467 0.679 50 40 HCGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc3c(c2)n(C)c(=O)n3C)c(=O)c1C#N 409080030 HKQXIUMKWQGIPI-RMORIDSASA-N 422.445 0.516 50 40 HCGB C[C@H](O)C(=O)OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 100041104 BJIMDDNYJFLCDQ-NSHDSACASA-N 403.410 0.949 50 40 HCGB CS(=O)(=O)OC[C@@H](Br)[C@H](Br)COS(C)(=O)=O 1558108 MSGAAUGGFRKJCY-PHDIDXHHSA-N 404.098 0.466 50 40 HCGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 1300867 OVZAISZVXFTBQI-SSDVNMTOSA-N 411.466 0.430 50 40 HCGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 13777507 OLIFZMBVKZNNEG-LSMNOTBCSA-N 424.413 0.839 50 40 HCGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN/C=C1/C(=O)NC(=O)N=C1O 98087096 GNTBMJCUFZLTHR-UHFFFAOYSA-N 405.370 0.866 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@@H]2CC=CCC2)c1CN1CCOCC1 20131459 YOICDSQCPABRKF-AINDZBIGSA-N 401.431 0.137 50 40 HCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 9232822 HCRMTJJPPFZALS-ORWNMUSCSA-N 402.451 0.433 50 40 HCGB NS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)ccc1Cl 14201072 HJGBPQFPOYSUSE-UHFFFAOYSA-N 411.823 0.605 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(OC)cc2)c2ccccc21 100282886 UBMXNOUBRGHZPZ-LYBHJNIJSA-N 424.413 0.465 50 40 HCGB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 102331441 FNZXXXVEONURAY-RPLLJCPNSA-N 405.414 0.645 50 40 HCGB CN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)CC1 5555050 HQWWVOBEPKFCAW-MAUBAPBLSA-N 422.489 0.648 50 40 HCGB CC(=O)N[C@@H](C)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 25261630 RFOAUHBKXKDIQA-ZDUSSCGKSA-N 407.430 0.730 50 40 HCGB COc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(N)=O 4813378 UQIOGVFRHKAQFD-OXQOHEQNSA-N 418.457 0.914 50 40 HCGB COC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H](c2ccncc2)C(C#N)=C1N 20459081 ZNZSTEYKDAJTFT-KAPURRDVSA-N 417.450 0.192 50 40 HCGB O=C(O)CCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1O[C@H]2[C@H](Br)[C@@H]1Br 101052636 PSYPMZHYOHPZFW-IWSVPVBZSA-N 411.046 0.760 50 40 HCGB CCC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](Br)[C@@H]1OC(=O)CC 12657750 NGLIYDLJNROMLW-DSMZTOPNSA-N 419.228 0.473 50 40 HCGB NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)Cc1ccccc1 6779208 GZAOHGPCTUMRCE-INIZCTEOSA-N 400.410 0.580 50 40 HCGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](N)CO 4773961 BNHOUMBVZFZMRQ-HZPDHXFCSA-N 420.337 0.881 50 40 HCGB CCc1ccc(OCC(=O)NN/C=C2/C(=O)NC(=S)N(CCOC)C2=O)cc1 6787598 AREHCDMDAQKYDO-UVTDQMKNSA-N 406.464 0.022 50 40 HCGB CCC[C@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 3830583 KDLRVYVGXIQJDK-RNYKZQCXSA-N 424.991 0.390 50 40 HCGB in-vitro CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c2cccs2)cc1 9883019 FMRXCDZDDXZQNV-SNVBAGLBSA-N 410.477 0.835 50 40 HCGB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C/C=N/NC(=O)c1ccccc1 4728611 ZVWADRIVQAWHQP-UFFVCSGVSA-N 409.450 0.829 50 40 HCGB O=C(O)CCCN1C(=O)[C@H]2[C@H]3O[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101052631 PSYPMZHYOHPZFW-DAORTFEHSA-N 411.046 0.760 50 40 HCGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1O 8219448 HAOFYKGNCGDNBK-GIDUJCDVSA-N 403.176 0.734 50 40 HCGB C/C(N)=C(/C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 25425322 GVMSTLHLGUNLCZ-CGINOUHLSA-N 421.475 0.967 50 40 HCGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c(OC)c1OC 2542043 XAGSPRJTYOHMSK-CNHKJKLMSA-N 402.371 0.331 50 40 HCGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccc2c(c1)OCO2 8272529 PAMIXKNMSNRWAR-UHFFFAOYSA-N 410.180 0.962 50 40 HCGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\C2C(=O)NC(=O)NC2=O)c(C#N)c1C 408546934 PAXPYDQJFPWPFV-WTKPLQERSA-N 414.399 0.649 50 40 HCGB Cn1c(=O)c2ncn(CC(=O)N/N=C/c3c(O)ccc4ccccc34)c2n(C)c1=O 5748952 GETFKRJWEUKUJR-LSFURLLWSA-N 406.402 0.443 50 40 HCGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(I)c1O 6327580 PLPNWSZRQKQNSZ-GIDUJCDVSA-N 405.192 0.980 50 40 HCGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1csc(N2CCOCC2)n1 7384516 INZQYICGOHPZHS-UHFFFAOYSA-N 404.420 0.881 50 40 HCGB CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)N(C)C1 584577231 KDLRVYVGXIQJDK-HZQNGILTSA-N 424.991 0.390 50 40 HCGB COc1cc(Br)c(S(=O)(=O)NNC(=O)c2cnccn2)cc1OC 22411908 GBTMNMABZIDOGX-UHFFFAOYSA-N 417.241 0.880 50 40 HCGB COC(=O)[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O 35193893 PORBARGBVAPWGY-ZUDIRPEPSA-N 411.201 0.464 50 40 HCGB COc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)c2cc(C)oc2C)cc1 32803112 FGNBURTVMPYYKV-UHFFFAOYSA-N 410.452 0.828 50 40 HCGB C[C@@H](Sc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)C(=O)N/N=C\c1ccccc1O 48990293 XATSLNXVDDAXRE-YSUMALLGSA-N 402.436 0.297 50 40 HCGB O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1csc(N2CCOCC2)n1 8109232 HHFGGVZLKZJVFC-UHFFFAOYSA-N 404.420 0.881 50 40 HCGB COc1ccc(Cl)cc1C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 8723438 LVFLAZKXSGOUMG-UHFFFAOYSA-N 410.839 0.607 50 40 HCGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 5085015 AAAWSHDPPHCEMX-IUYQLWOBSA-N 405.476 0.848 50 40 HCGB O=C(COC(=O)C1=COCCO1)NNC(=O)COc1ccc(Br)cc1 8771034 JQUGUSSLJAVHHP-UHFFFAOYSA-N 415.196 0.407 50 40 HCGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9130948 ZBXRRBAJJRHDLE-CYBMUJFWSA-N 409.468 0.719 50 40 HCGB O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1csc(N2CCOCC2)n1 12801474 NVLHWWDANOIQNQ-UHFFFAOYSA-N 414.447 0.220 50 40 HCGB COc1ccc(OCC(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 102837463 RYPTZWWNXWOVSB-IYBDPMFKSA-N 403.435 0.787 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@H]2C(=O)N(C)C(=O)[C@@H]2CC[C@H]1C 58159497 PENSZXSOVNCGMM-OSLDLMBLSA-N 417.462 0.889 50 40 HCGB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1Cl 408670046 WZHVUTUERASQCM-UHFFFAOYSA-N 415.789 0.940 50 40 HCGB O=C(NNC(=O)c1ccncc1)N[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 16789713 RDWMGAPFJVXEPM-HNNXBMFYSA-N 407.427 0.976 50 40 HCGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(F)cc1 2242803 AASDEOIQMFAPJD-AWQFTUOYSA-N 401.406 0.977 50 40 HCGB O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@@H]1O2)c1cccc([N+](=O)[O-])c1 9312927 FFBJWOJFUNBZLQ-RQSUVKSXSA-N 403.311 0.567 50 40 HCGB Cn1nc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c2ccccc2c1=O 32992657 PJVKGFXIQQHIFP-KPZWWZAWSA-N 401.448 0.149 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 104353553 QURBMGJBUATBFW-OEGXXLOMSA-N 415.855 0.236 50 40 HCGB Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)Cc1nc2ccccc2n1C)C(F)(F)F 12548269 SXRHAKCKNUNSAF-KRWDZBQOSA-N 424.383 0.837 50 40 HCGB Cc1sc2nc(CC(=O)NNC(=O)CNC(=O)C3CCCCC3)[nH]c(=O)c2c1C 8852674 ADMVQKXMIUBUNM-UHFFFAOYSA-N 419.507 0.988 50 40 HCGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1 5129134 DRLPUCZUIGLYJP-SSDVNMTOSA-N 411.466 0.430 50 40 HCGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 5679418 GIVKOTCCHIZEPG-AOVJEQHFSA-N 408.414 0.830 50 40 HCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC 409160683 HWFPBKLICMYIBX-DJKKODMXSA-N 421.431 0.861 50 40 HCGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C 3392430 FLZPZYJWCSCRPN-QGZVFWFLSA-N 419.459 0.569 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 3830582 KDLRVYVGXIQJDK-WLKMJGOVSA-N 424.991 0.390 50 40 HCGB in-vitro CCCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 6879429 RDYODQKSJUFJRC-FRKPEAEDSA-N 405.192 0.982 50 40 HCGB CN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2)CC1 12985500 UCHHNMGGPQFSOS-UHFFFAOYSA-N 402.476 0.698 50 40 HCGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 17313746 LWBJDHLBXHCBMY-ZZDPWUPLSA-N 416.306 0.515 50 40 HCGB CC(=O)OC[C@H]1O[C@@H](OCCCl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5495577 ZCFSGFSMIWNIIA-IBEHDNSVSA-N 410.803 0.325 50 40 HCGB COC(=O)Cc1ccc(C(=O)NP(=O)(N2CCOCC2)N2CCOCC2)n1C 102142455 CBDJWKNFEKERKB-UHFFFAOYSA-N 414.399 0.243 50 40 HCGB COc1ccc(CN2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)cc1 9331064 BDKXGYCFOKDGLF-XNTDXEJSSA-N 410.386 0.798 50 40 HCGB Cn1c(=O)c2c(nc(NCCNC(=O)CCl)n2Cc2ccccc2)n(C)c1=O 57681210 ZUEAZHCSYKBNHF-UHFFFAOYSA-N 404.858 0.249 50 40 HCGB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1ccccn1 13134112 SJTCNWGKDUMXJT-UHFFFAOYSA-N 424.244 0.696 50 40 HCGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 19596570 VCIBYQXGHDJRLC-XKZIYDEJSA-N 413.434 0.853 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccnc2)c1-c1ccc([N+](=O)[O-])cc1 2392492 GWINXJGUSWYMRB-AWQFTUOYSA-N 420.349 0.967 50 40 HCGB CCC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](Br)[C@@H]1OC(=O)CC 102806317 NGLIYDLJNROMLW-IYMWITQMSA-N 419.228 0.473 50 40 HCGB biogenic CCn1nc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c2ccccc2c1=O 32992644 IZWDAJBQBGSDQT-YJYMSZOUSA-N 415.475 0.631 50 40 HCGB Cc1cc(C)n(CC(=O)NNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)n1 12666783 HHNZIBOEMLEHRJ-UHFFFAOYSA-N 412.450 0.204 50 40 HCGB CC(=O)OC[C@H]1O[C@@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 15442951 CYAYKKUWALRRPA-MBJXGIAVSA-N 411.201 0.464 50 40 HCGB biogenic O=C(N/N=C1/C[C@H](n2cnc([N+](=O)[O-])n2)[C@@H]2CO[C@@H]1O2)c1ccccc1[N+](=O)[O-] 101075009 HGSMKWQRSIYGGO-WHNPEGGZSA-N 403.311 0.567 50 40 HCGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1)S(C)(=O)=O 409144692 PGGRXFADGNOBQH-RGVLZGJSSA-N 404.448 0.710 50 40 HCGB O=C(NNC(=O)c1ccc(C(=O)NNC(=O)c2ccncc2)cc1)c1ccncc1 1690155 YRAAVIKDADPKKM-UHFFFAOYSA-N 404.386 0.626 50 40 HCGB NC(=O)COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2Cl)cc1 4679788 RZWJCSHDULUCRU-NUGSKGIGSA-N 418.837 0.849 50 40 HCGB CC1(C)Cc2c(C#N)c(N3CCN(C(=O)C(=O)NN)CC3)nc(-c3ccco3)c2CO1 20648769 NTMIGXKJSXBDTQ-UHFFFAOYSA-N 424.461 0.703 50 40 HCGB Nc1nnn(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)n1 2318931 QLLREEZFFMGFGA-LZWSPWQCSA-N 419.037 0.636 50 40 HCGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C(N)=O 103517410 ZLRZQXXACODJPA-DGGAMASNSA-N 414.443 0.477 50 40 HCGB COCc1cc(C)n(CC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c(=O)c1C#N 409200168 GUZOZZGTIBQKMM-AQHIEDMUSA-N 411.418 0.189 50 40 HCGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(C)(=O)=O)cc1 28213102 COQKTFPECMZTAH-SRZZPIQSSA-N 418.475 0.775 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)N(C)C1 257346777 KDLRVYVGXIQJDK-BQDOHGGYSA-N 424.991 0.390 50 40 HCGB O=C(O)CCCN1C(=O)[C@@H]2[C@H]3O[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101052633 PSYPMZHYOHPZFW-WHSUVHHGSA-N 411.046 0.760 50 40 HCGB O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NNC(=O)c1ccccc1 4711166 IIJTTWHJZCPTHU-UHFFFAOYSA-N 414.437 0.952 50 40 HCGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 5679424 GIVKOTCCHIZEPG-WHTJBBQOSA-N 408.414 0.830 50 40 HCGB CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@H](C)O)B(O)O 206676736 SJFBTAPEPRWNKH-JVPBZIDWSA-N 413.283 0.771 50 40 HCGB in-vitro O=C(NCc1ccc(/C=N\NC(=O)C(=O)N2CCCC2)o1)C(=O)Nc1ccccc1 408876474 PBZGIKLXAPKIHK-XKZIYDEJSA-N 411.418 0.607 50 40 HCGB CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 3830580 KDLRVYVGXIQJDK-KFRBVKTCSA-N 424.991 0.390 50 40 HCGB in-vitro COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c1 5916279 PLLYFVUUJGTSAD-UFFVCSGVSA-N 400.391 0.657 50 40 HCGB O=C(CCl)NNC(=O)c1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 217379977 DSNGCUUHAFIUPI-LBPRGKRZSA-N 422.290 0.445 50 40 HCGB CCC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](Br)[C@H]1OC(=O)CC 33904022 NGLIYDLJNROMLW-PWURMNTRSA-N 419.228 0.473 50 40 HCGB O=C(CI)NCC1CCC(C(=O)ON2C(=O)CCC2=O)CC1 100259226 CHWZKWYQUNKCPC-UHFFFAOYSA-N 422.219 0.951 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccnc2)c1-c1ccc2c(c1)OCO2 2449438 SVZOTBGXMPLHJD-ODCIPOBUSA-N 419.361 0.787 50 40 HCGB Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)N/N=C/C1CCCCC1 25761104 VZTRLDNZCRLMLP-VXLYETTFSA-N 403.447 0.361 50 40 HCGB CCn1c(=O)c2ccccc2n(CC(=O)NN(C)c2cnn(C)c(=O)c2Cl)c1=O 40156113 SFQUDBAXVNAKTK-UHFFFAOYSA-N 418.841 0.098 50 40 HCGB COC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2[C@H](c2ccncc2)C(C#N)=C1N 20459084 ZNZSTEYKDAJTFT-SPQRHKFCSA-N 417.450 0.192 50 40 HCGB Cn1nc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c2ccccc2c1=O 32992659 PJVKGFXIQQHIFP-KZULUSFZSA-N 401.448 0.149 50 40 HCGB NNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 3887038 MAPBKOSPOHFVRU-UHFFFAOYSA-N 404.430 0.446 50 40 HCGB N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2200672 BBMASXUOPVLTEA-ASNKMWSDSA-N 409.446 0.733 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 3978028 KDLRVYVGXIQJDK-KIDUDLJLSA-N 424.991 0.390 50 40 HCGB fda O=C(NNc1nc(N2CCOCC2)nc(N2CCCOC2)n1)c1ccc(F)cc1 829869 LTNSSJNUHVNJDP-UHFFFAOYSA-N 403.418 0.788 50 40 HCGB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cccs3)C2=O)cc1 8316078 AMIOBWOOUCLXPK-SFHVURJKSA-N 402.432 0.985 50 40 HCGB CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1 2375002 AXODKSXPQQOLNP-QGMBQPNBSA-N 401.456 0.780 50 40 HCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58873375 XSVQSRVCWUASGU-RSFOSLOZSA-N 404.467 0.725 50 40 HCGB C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 32203642 STLYZDRMCSVTNL-UHFFFAOYSA-N 401.400 0.402 50 40 HCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccc(C)cc2)c2ccccc21 85877949 RVPOCNDQDQJBQF-DAFNUICNSA-N 404.426 0.990 50 40 HCGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 102971825 DFYBNFNAIQNPIA-LRRLDJKKSA-N 424.596 0.354 50 40 HCGB O=C(Cn1cncn1)N/N=C\c1ccc(OC(=O)C[C@@H]2SC(=O)NC2=O)cc1 32509083 WMPBMSXYAJDGRJ-YKHSYDRSSA-N 402.392 0.076 50 40 HCGB CCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC 13133798 FNNOENXEMAXHTQ-KBPBESRZSA-N 401.419 0.806 50 40 HCGB O=C(CCl)OC[C@@H](O)COc1ccc(OC[C@H](O)COC(=O)CCl)cc1 5513742 BLNCHHQCHQHTKO-RYUDHWBXSA-N 411.234 0.730 50 40 HCGB CCn1c(SCC(=O)NNC(=S)NCCN2CCOCC2)nc2ccccc21 25499390 RYDVYJGIHAKYTI-UHFFFAOYSA-N 422.580 0.976 50 40 HCGB CCCc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)N/N=C/c1ccc(N(C)C)cc1 89960521 FRDCTYNLJYFPNL-SRZZPIQSSA-N 411.466 0.592 50 40 HCGB COc1cc(NC(=O)C/C(C)=N/NC(=O)C(=O)NCCO)c(OC)cc1Cl 100755015 IAEJLJZLCQOSAH-AWQFTUOYSA-N 400.819 0.286 50 40 HCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@@H]1O2)c1ccccc1[N+](=O)[O-] 9424741 HGSMKWQRSIYGGO-OCEMVSSVSA-N 403.311 0.567 50 40 HCGB COc1cc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc(OC)c1OC 32967446 HKSRPMOODPMOLS-ZMZPIMSZSA-N 409.464 0.927 50 40 HCGB O=C1COc2ccc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2N1 32899943 SDXVRERSWNFSJS-UHFFFAOYSA-N 405.388 0.412 50 40 HCGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 58873513 ZAMXAWMNYKSYKQ-SSDVNMTOSA-N 402.407 0.188 50 40 HCGB CCn1nc(C(=O)NNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c2ccccc2c1=O 9507062 DEMHHWSZYDJKFJ-MRXNPFEDSA-N 422.445 0.457 50 40 HCGB CC(C)CC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 21903999 SPUYJOBJDGBLHH-KRWDZBQOSA-N 413.496 0.954 50 40 HCGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C(\C)c1cccc(O)c1 33429712 DWAGGALXFQNGHM-RGVLZGJSSA-N 413.442 0.934 50 40 HCGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1O 409252803 DXEMAQGJMDSGDB-NZWFQIHVSA-N 400.229 0.909 50 40 HCGB O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1ccco1 4079717 IYRHYIMZYMDDFI-UDWIEESQSA-N 404.448 0.944 50 40 HCGB CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58872951 XQJFYDWGIPDWLY-FIJRTHIRSA-N 404.467 0.725 50 40 HCGB O=C(Cc1nnc(NC(=O)c2nnc[nH]2)s1)N/N=C/c1ccc2c(c1)OCO2 108988143 DFQPHGPEILFHHL-YAXRCOADSA-N 400.380 0.330 50 40 HCGB CCOC(=O)NNC(=S)NP(=O)(NC(=S)NNC(=O)OCC)OCC 5015017 VXNFGYQKWKHFPY-UHFFFAOYSA-N 416.422 0.381 50 40 HCGB C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 25685770 UNUYSOINWTVXEJ-DTQAZKPQSA-N 407.448 0.498 50 40 HCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)CN2CCCc3ccccc32)n(C)c1 29710033 KKALMTSWJDAZCD-UHFFFAOYSA-N 405.480 0.147 50 40 HCGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3)c2=O)=C(C(N)=O)[C@H]1c1ccccc1 1296699 PHIHICPCNZPZKM-YTBHAWNYSA-N 400.463 0.823 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)NC[C@H]1CCCO1 408998610 RLWMIMXEGOOYSZ-BYWZACNXSA-N 416.478 0.870 50 40 HCGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1ccc(-n2cnnn2)cc1 13135048 WNMUZEPZDLCAOT-UHFFFAOYSA-N 407.390 0.812 50 40 HCGB C[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 3212447 IYISASBAXTWGJN-JTQLQIEISA-N 416.350 0.587 50 40 HCGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 12921037 ZVHKVHGCDOJIDY-KRWDZBQOSA-N 419.459 0.651 50 40 HCGB COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1 2375089 YXGGMEHHJGTNBX-UHFFFAOYSA-N 403.391 0.877 50 40 HCGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccn3C)CC2)cc1 36022839 HXFRIHNKCPFLTL-ZHZULCJRSA-N 403.508 0.790 50 40 HCGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CSc1n[nH]c(=O)[nH]c1=O 1916821 MEEZGYDEKJOVRZ-CNHKJKLMSA-N 419.854 0.848 50 40 HCGB Cn1c(CC(=O)NNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc2ccccc21 13076178 XHJYEYWHDRUWDH-KBPBESRZSA-N 409.446 0.605 50 40 HCGB Cn1ncc2c(N3CCN(CC(=O)NNC(=O)c4ccc(F)cc4)CC3)ncnc21 14856646 RLWDFTTZTOAEKA-UHFFFAOYSA-N 412.429 0.086 50 40 HCGB NC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc21 5650259 VKWCHTCIDZZAPZ-ULJHMMPZSA-N 413.821 0.422 50 40 HCGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 8091878 IPTWUZHIBACRIF-SSDVNMTOSA-N 414.418 0.917 50 40 HCGB O=C(CCl)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1 12374917 ZFSAXFPQKSGIPV-CYBMUJFWSA-N 406.704 0.243 50 40 HCGB O=C(NCc1ccco1)C(=O)NNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1 25597206 JACHFKPFSWXGMJ-UHFFFAOYSA-N 420.344 0.454 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)NCc1ccco1 19898432 YVSJLWZDMLSIAC-WSDLNYQXSA-N 400.435 0.757 50 40 HCGB COC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1Br 33602354 XEIXXGGCIRPSLI-NVMNQCDNSA-N 414.256 0.783 50 40 HCGB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1ccc(F)cc1 31709111 JRGVQQAHOXTCNL-UHFFFAOYSA-N 422.438 0.233 50 40 HCGB Cn1nc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c2ccccc2c1=O 32992655 PJVKGFXIQQHIFP-XIKOKIGWSA-N 401.448 0.149 50 40 HCGB O=C(CN1CCOCC1)N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408993618 DRMQIAFHJQZBFC-JFPGXGMNSA-N 423.882 0.138 50 40 HCGB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccc2c(c1)OCO2 9442359 LGDSOKWAYDSSLA-SNVBAGLBSA-N 416.415 0.304 50 40 HCGB Cc1nn(C)c(=O)c(C(=O)N2CSC[C@H]2C(=O)NNC(=O)c2ccccc2)c1C 72296524 FYNUQACDRCJZJK-AWEZNQCLSA-N 415.475 0.373 50 40 HCGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1c(C)nnn1-c1nonc1N 2542044 VABLOHJLGKIQLT-CNHKJKLMSA-N 402.371 0.331 50 40 HCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OCC)c1 6960734 RFZUYXLGICOSDP-LPYMAVHISA-N 402.451 0.839 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 13766365 QGZOYTDNQABTAK-HKOYGPOVSA-N 412.377 0.596 50 40 HCGB C[C@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12972843 FZGVZDYQWYQHHM-SWLSCSKDSA-N 408.480 0.004 50 40 HCGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1CC(=O)OC 4517103 RNPKIHAZLMTMNJ-NRFANRHFSA-N 407.382 0.476 50 40 HCGB O=C(COc1ccccc1)NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 28047316 XWWHOYJZLSPKQB-UHFFFAOYSA-N 415.454 0.067 50 40 HCGB N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)NC(N)=O 409231318 JUXFMXXJFQZUQR-BAQGIRSFSA-N 415.143 0.856 50 40 HCGB COc1cc(/C=N/NC(=O)CNC(=O)COc2ccccc2)ccc1OCC(=O)O 4699722 CMUOJBNVMRPUKS-LSHDLFTRSA-N 415.402 0.804 50 40 HCGB CCOC(=O)N1CCN(C(=O)C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 5717115 PFUSBFBNDXNGFC-UHFFFAOYSA-N 406.483 0.651 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 100282948 HHQTWDRWOHCZAY-HIXSDJFHSA-N 424.413 0.222 50 40 HCGB O=C(Cn1cncn1)N/N=C/c1ccccc1OC(=O)/C=C1/SC(=O)NC1=O 96911503 VQSULUSSKVXMRO-GJRWAEQYSA-N 400.376 0.201 50 40 HCGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 13881982 BHXSWORBKFTGCT-ATVHPVEESA-N 416.459 0.842 50 40 HCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1OC 409149751 PKSCVABJJULHKT-VXLYETTFSA-N 421.431 0.831 50 40 HCGB CC(=O)OC[C@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4352562 CYAYKKUWALRRPA-PEBLQZBPSA-N 411.201 0.464 50 40 HCGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OC)c1 6578707 VNOYMNZOXNOFRY-SSDVNMTOSA-N 414.418 0.917 50 40 HCGB CCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OCC)c1 6953804 XMTXDPOVHYKIOL-FRKPEAEDSA-N 405.192 0.982 50 40 HCGB CCc1ccc(C(=O)NNC(=O)c2ccco2)cc1S(=O)(=O)N1CCOCC1 12985620 SORQFIMSKZWRAO-UHFFFAOYSA-N 407.448 0.938 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1[C@@H](C)CC[C@H]2C(=O)N(C)C(=O)[C@H]12 58159499 PENSZXSOVNCGMM-GGNLRSJOSA-N 417.462 0.889 50 40 HCGB Cn1c(=O)c2ncn(CC(=O)N/N=C/c3cccc(Br)c3)c2n(C)c1=O 10038268 BUCORBPXDDWRAA-FBCYGCLPSA-N 419.239 0.347 50 40 HCGB CC(C)C[C@H](NC(=O)[C@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O 198037164 SJFBTAPEPRWNKH-MDASCCDHSA-N 413.283 0.771 50 40 HCGB CCOC(=O)NNC(=S)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9373284 LMYVNFGWRGZFSV-UHFFFAOYSA-N 400.482 0.737 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/[C@H]2CC=CCC2)c1CN1CCOCC1 13618166 YOICDSQCPABRKF-NJDFMEINSA-N 401.431 0.137 50 40 HCGB COc1c(Br)c(C[C@H]2CC(C(=O)NN)=NO2)c(OC)c2c1OCO2 15085742 VRMNGYFUBQUVGN-LURJTMIESA-N 402.201 0.872 50 40 HCGB Cn1c(=O)c2ncn(CC(=O)N/N=C\c3cc([N+](=O)[O-])ccc3Cl)c2n(C)c1=O 33389702 VQCVSAWJPBFXJP-SWNXQHNESA-N 419.785 0.146 50 40 HCGB Cn1c(=O)c2c(nc(NCCNC(=O)CCl)n2Cc2ccccc2F)n(C)c1=O 57681229 LKBIGPKNKWUVDQ-UHFFFAOYSA-N 422.848 0.388 50 40 HCGB CC(CO)(CO)C(=O)OCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060989922 WDKAXLNFBXJVBD-UHFFFAOYSA-N 408.363 0.599 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 8552275 KDLRVYVGXIQJDK-LPSAIEBYSA-N 424.991 0.390 50 40 HCGB world O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(-n2cnnn2)cc1 9376770 SFYSYZLVBYNEAT-UHFFFAOYSA-N 413.825 0.897 50 40 HCGB CN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)CC1 5555063 HQWWVOBEPKFCAW-HJUDDPQBSA-N 422.489 0.648 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)/C=C\c2ccccc2)c2ccccc21 38188093 PUCCEPJGPQTPNC-HTNCDOEESA-N 420.425 0.856 50 40 HCGB COc1ccc(CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)cc1 12747092 YJUSZRJNHZDSJM-GFCCVEGCSA-N 409.439 0.891 50 40 HCGB O=C(NNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 47296896 NTVSVSSCTAGFLQ-JKSUJKDBSA-N 407.390 0.815 50 40 HCGB COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)s1 95464989 BSNKQWHKTMOWLC-UHFFFAOYSA-N 411.299 0.975 50 40 HCGB CCCCn1c(SCC(=O)NNC(=O)C(C)C)nc2c1c(=O)n(C)c(=O)n2C 6162132 URDWUKNSCNHMLY-UHFFFAOYSA-N 410.500 0.129 50 40 HCGB CN1CCN(Cc2c(C(=O)N/N=C/[C@@H]3CC=CCC3)nnn2-c2nonc2N)CC1 20101429 IJTMUPTUNITYQB-AYPRBGQRSA-N 414.474 0.052 50 40 HCGB COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1OC 49946569 QNIFZTBNUIPDTD-GFCCVEGCSA-N 407.448 0.832 50 40 HCGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 408663811 OXEGZAOBSYMIKN-LBTBCDHLSA-N 413.430 0.412 50 40 HCGB O=C1CCC(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)=NN1 6114644 FMTWWDABLVSXMJ-UHFFFAOYSA-N 403.402 0.961 50 40 HCGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 58884430 BFTWPUNWMDRDHJ-SSDVNMTOSA-N 412.402 0.816 50 40 HCGB O=C(CSC(=S)N1CCCC1)NNS(=O)(=O)c1ccc2c(c1)OCCO2 9315977 BGDAUBWBMYHFOO-UHFFFAOYSA-N 417.534 0.881 50 40 HCGB O=S1(=O)CC[C@H](NC(=S)SSC(=S)N[C@@H]2CCS(=O)(=O)C2)C1 13804206 XUTMTEALVWZFQX-OCAPTIKFSA-N 420.650 0.491 50 40 HCGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1I 3087703 ZBWWNJYDXLXDDM-SECBINFHSA-N 408.155 0.886 50 40 HCGB Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(S(=O)(=O)NC(C)C)cn1C 28481828 QOZYDUQTGIOMBD-UHFFFAOYSA-N 418.479 0.743 50 40 HCGB N#Cc1ccc(Nc2cnc([C@H]3CCCN3Cc3cccc(B(O)O)c3)cn2)cn1 585292879 AYTMQGLXCWHSNQ-HXUWFJFHSA-N 400.251 1.504 50 40 HCGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1897672 ZZOSDCIVJOVHIK-FPQGOQEYSA-N 415.450 0.958 50 40 HCGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccccc2F)nnn1-c1nonc1N 8443069 QXWWGHJJYDKULJ-AWQFTUOYSA-N 401.406 0.977 50 40 HCGB CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=N/Nc1c(C)n(C)n(-c2ccccc2)c1=O 100141804 GDQJFIBRYODJPR-HAVVHWLPSA-N 422.445 0.844 50 40 HCGB CC(=O)OC[C@@H]1O[C@@H](OCCCl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5495587 ZCFSGFSMIWNIIA-ZVDSWSACSA-N 410.803 0.325 50 40 HCGB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1ccccc1F 31709132 JSPSIQNUFAPZMA-UHFFFAOYSA-N 422.438 0.233 50 40 HCGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58873378 XSVQSRVCWUASGU-CNPYVQQSSA-N 404.467 0.725 50 40 HCGB Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccccc3-n3cccc3)cnc2n(C)c1=O 12729334 GWAQACHFNGRRSK-UHFFFAOYSA-N 418.413 0.498 50 40 HCGB COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 891446 NRRDICWCOFYFCX-UHFFFAOYSA-N 419.459 0.791 50 40 HCGB O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)NC[C@@H]1CCCO1 5944514 PHACYMHZGBJKMH-QQZPLFJDSA-N 402.451 0.433 50 40 HCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@H]1O2)c1ccccc1[N+](=O)[O-] 225111869 HGSMKWQRSIYGGO-BEJUVRKASA-N 403.311 0.567 50 40 HCGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC(=O)N1CCOCC1 206230874 RABWCOYEUJHEPO-ATVHPVEESA-N 415.446 0.699 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1-c1ccc2c(c1)OCO2 9496836 UMNBNDNVKPJTHA-ODCIPOBUSA-N 419.361 0.787 50 40 HCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 9232816 HCRMTJJPPFZALS-QQZPLFJDSA-N 402.451 0.433 50 40 HCGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C(N)=O 103517406 ZLRZQXXACODJPA-KMHUVPDISA-N 414.443 0.477 50 40 HCGB Cc1cccc(OCC(=O)NNC2=c3cc(F)cc(Br)c3=NC2=O)c1 7781174 UUTBUMKPUALKJP-UHFFFAOYSA-N 406.211 0.864 50 40 HCGB CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 39983313 WMIARSQEJKVRGP-UHFFFAOYSA-N 409.395 0.352 50 40 HCGB C[C@@H](O)C(=O)OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 100041109 BJIMDDNYJFLCDQ-LLVKDONJSA-N 403.410 0.949 50 40 HCGB O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1 7976703 MDGBPUARPYIOHC-UHFFFAOYSA-N 405.432 0.359 50 40 HCGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C 4697789 JHNJVAYBVQQMJS-CIAFOILYSA-N 407.858 0.770 50 40 HCGB O=C(CCl)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1 12374918 ZFSAXFPQKSGIPV-ZDUSSCGKSA-N 406.704 0.243 50 40 HCGB COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(=O)NN)cc3)CC2)cc1 32659536 XKLVVXNIMUEQHJ-GOSISDBHSA-N 400.479 0.861 50 40 HCGB C[C@H](Sc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)C(=O)N/N=C\c1ccccc1O 48990287 XATSLNXVDDAXRE-QNNPZSRPSA-N 402.436 0.297 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccnc2)c1-c1cccc([N+](=O)[O-])c1 1827178 AZKUSYLVOYTXEA-AWQFTUOYSA-N 420.349 0.967 50 40 HCGB COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@](C)(OC(C)=O)[C@H]1OC(C)=O 254428888 PORBARGBVAPWGY-DKKFBCOVSA-N 411.201 0.464 50 40 HCGB COc1ccc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)c1 2355754 VGPKKCCYEBDZCO-UFWORHAWSA-N 415.414 0.075 50 40 HCGB O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1cc([N+](=O)[O-])ccc1O 35380415 QIEFBKIMQBOJIG-PZEXIZOFSA-N 421.373 0.976 50 40 HCGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](N)CO 4773963 BNHOUMBVZFZMRQ-CVEARBPZSA-N 420.337 0.881 50 40 HCGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 2635380 QBRHYGQFXURECO-UHFFFAOYSA-N 416.415 0.723 50 40 HCGB O=C(O)COc1ccc(/C=N/NC(=O)COc2nsnc2N2CCOCC2)cc1 2066476 NKMFLVCSDVWVGW-GIJQJNRQSA-N 421.435 0.367 50 40 HCGB C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1 40024517 GTSFPMABIOYZMX-UHFFFAOYSA-N 401.444 0.747 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1[C@H]2C(=O)N(C)C(=O)[C@@H]2CC[C@H]1C 58159496 PENSZXSOVNCGMM-HLNSBACISA-N 417.462 0.889 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 9183485 PUCCEPJGPQTPNC-UKHPAKIQSA-N 420.425 0.856 50 40 HCGB COc1ccc(C(=O)NNC(=O)CC(=O)NNC(=O)c2ccc(OC)cc2)cc1 100930755 VAQKDXCDSGCUJN-UHFFFAOYSA-N 400.391 0.316 50 40 HCGB O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccco1 11556805 VLMBYACPILUQML-ZDUSSCGKSA-N 421.431 0.665 50 40 HCGB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccoc1C 3428346 RDVMNRRYXWCFTM-UHFFFAOYSA-N 407.448 0.992 50 40 HCGB C#CCN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 100301658 KCCYHIYSUDZDJW-LKUDQCMESA-N 420.425 0.934 50 40 HCGB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)s1 408685301 LGHFJFBRIGIHPS-UHFFFAOYSA-N 405.436 0.960 50 40 HCGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H](C)Nc1n[nH]c(=O)[nH]c1=O 942383 OFVCRECXVMRMNE-OQOREVAYSA-N 416.829 0.556 50 40 HCGB COc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1 917816 PSJNLVGYTZJHKW-UHFFFAOYSA-N 412.406 0.827 50 40 HCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 4200090 WKLOSRVDQHDSAD-QQZPLFJDSA-N 402.451 0.433 50 40 HCGB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NN)cc2)cc1OC 409204431 GMVNWQDHCPRZEU-UHFFFAOYSA-N 409.464 0.594 50 40 HCGB O=S1(=O)CC[C@H](NC(=S)SSC(=S)N[C@H]2CCS(=O)(=O)C2)C1 9308045 XUTMTEALVWZFQX-YUMQZZPRSA-N 420.650 0.491 50 40 HCGB O=C(CNC(=O)c1ccccc1F)NNC(=S)NCc1ccc2c(c1)OCO2 22617733 NBUBVUCYDNTXBZ-UHFFFAOYSA-N 404.423 0.980 50 40 HCGB Cn1ccnc1[C@](O)(CC(=O)NNC(=O)Cc1nc2ccccc2n1C)C(F)(F)F 12548270 SXRHAKCKNUNSAF-QGZVFWFLSA-N 424.383 0.837 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 100282836 QGZOYTDNQABTAK-MOHJPFBDSA-N 412.377 0.596 50 40 HCGB CN(CC(=O)NNC(=O)COc1ccc(F)cc1)S(=O)(=O)c1cccs1 39969241 LZZPFYXWYSPIGC-UHFFFAOYSA-N 401.441 0.734 50 40 HCGB Cc1oc2ccc(OCC(=O)NNC(=O)COCC(=O)O)cc2c1C(=O)OC(C)C 9008170 HREAMYRFSJBHQT-UHFFFAOYSA-N 422.390 0.934 50 40 HCGB biogenic O=C(O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246541 FVMLLVQNJNCIQH-IUXPMGMMSA-N 400.229 0.695 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 9334959 HHQTWDRWOHCZAY-GFMRDNFCSA-N 424.413 0.222 50 40 HCGB Cc1ccc(C(=O)NNC(=O)c2ccncc2)cc1S(=O)(=O)N1CCOCC1 12950625 VGQLDJJVUSQMMO-UHFFFAOYSA-N 404.448 0.486 50 40 HCGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 165704274 UPFJEBITOGMJHQ-VJOHVRBBSA-N 413.430 0.410 50 40 HCGB CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 3978029 KDLRVYVGXIQJDK-WPMZVPFKSA-N 424.991 0.390 50 40 HCGB fda O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409259639 BUYHQSQQMQKAKN-WSDLNYQXSA-N 414.418 0.284 50 40 HCGB COc1ccc(S(=O)(=O)N(C)CCCl)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 9472511 CDYRAIYHYGRXCZ-NSHDSACASA-N 424.928 0.471 50 40 HCGB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCC(=O)NN)cc1 4629769 BDVFNLZCBKDYPL-UHFFFAOYSA-N 409.450 0.432 50 40 HCGB Cn1c(=O)c2[nH]c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 102968808 UJRGJGYKIUQRTI-REZTVBANSA-N 417.407 0.111 50 40 HCGB CC1(C)O[C@@H]([C@@H](CCl)OS(C)(=O)=O)[C@H]([C@@H](CCl)OS(C)(=O)=O)O1 104189357 FHSMMZCSHWSQPT-IMSYWVGJSA-N 415.313 0.674 50 40 HCGB CC1(C)O[C@@H]2[C@@H](CI)O[C@@H](n3cc(F)c(=O)[nH]c3=O)[C@@H]2O1 17154786 YLUWLJRPWHGNDK-FDDDBJFASA-N 412.155 0.528 50 40 HCGB in-vitro COc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O 409338103 DBGDVHYYYBRXCP-DYTRJAOYSA-N 416.459 0.958 50 40 HCGB Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 26604934 OLARXPSPAZZUFB-JTQLQIEISA-N 407.290 0.363 50 40 HCGB Nc1ccc(S(N)(=O)=O)cc1SSc1cc(S(N)(=O)=O)ccc1N 1555603 WODKYXIPVKTPQM-UHFFFAOYSA-N 406.536 0.945 50 40 HCGB Cn1c(=O)c2ncn(CC(=O)NN=Cc3cc([N+](=O)[O-])ccc3Cl)c2n(C)c1=O 16363774 VQCVSAWJPBFXJP-UHFFFAOYSA-N 419.785 0.146 50 40 HCGB CCC[C@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 71789628 KDLRVYVGXIQJDK-MJOFNSIMSA-N 424.991 0.390 50 40 HCGB in-vitro CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1cccc(F)c1 409112149 KJNDNOKETHRDGL-UFFVCSGVSA-N 422.438 0.606 50 40 HCGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)C3CCN(C(C)=O)CC3)C2=O)cc1 1443944 QBAZZTRNFIPVPV-KRWDZBQOSA-N 402.451 0.597 50 40 HCGB O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8395353 BOPLAIXDMNEQFM-HOTGVXAUSA-N 421.475 0.899 50 40 HCGB COc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 12850238 JRCOEDNKZBAGOA-OAHLLOKOSA-N 409.376 0.753 50 40 HCGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 100929829 BMYBUZAIPIXLIT-WJDWOHSUSA-N 402.432 0.500 50 40 HCGB CC(=O)N[C@H](C)C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 25261629 RFOAUHBKXKDIQA-CYBMUJFWSA-N 407.430 0.730 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C\c2ccccc2)c2ccccc21 100711991 PUCCEPJGPQTPNC-TYWMCRAXSA-N 420.425 0.856 50 40 HCGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)N1CCOCC1 6960756 FAQOAOTWDQRJIS-CIAFOILYSA-N 420.466 0.298 50 40 HCGB CCn1nc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c2ccccc2c1=O 32992642 IZWDAJBQBGSDQT-DJJJIMSYSA-N 415.475 0.631 50 40 HCGB CC(=O)N[C@H]1[C@@H](Br)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 38253449 HBIPCCBMDPRHBQ-RGDJUOJXSA-N 410.217 0.037 50 40 HCGB O=C(NN=C1NC(=O)C([N+](=O)[O-])C(=O)N1)c1cc(-c2ccccc2)nc2ccccc12 2276929 HPXVUIBKRMGBKN-UHFFFAOYSA-N 418.369 0.794 50 40 HCGB CN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CCCCC3)cc2)CC1 12990105 JFQFUIYAIARRNK-UHFFFAOYSA-N 408.524 0.964 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 103105585 GVMSTLHLGUNLCZ-MXAZLZJWSA-N 421.475 0.967 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 103097806 FCLGBJYJVRRBJY-NWJUEHOMSA-N 419.459 0.589 50 40 HCGB O=C(CCl)NNC(=O)c1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 217379894 DSNGCUUHAFIUPI-GFCCVEGCSA-N 422.290 0.445 50 40 HCGB NC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21 6197682 GMBOIEPCNOLQCG-ULJHMMPZSA-N 413.821 0.422 50 40 HCGB Cn1c(CC(=O)NNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc2ccccc21 103052273 XHJYEYWHDRUWDH-ZIAGYGMSSA-N 409.446 0.605 50 40 HCGB O=C(CCl)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 2265207 IYQUIQQRLJAUIA-AWEZNQCLSA-N 402.716 0.591 50 40 HCGB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12972839 FZGVZDYQWYQHHM-DOMZBBRYSA-N 408.480 0.004 50 40 HCGB CC(=O)NCCSS(=O)(=O)CCCCS(=O)(=O)SCCNC(C)=O 4887311 VSIVURJXPKNPLZ-UHFFFAOYSA-N 420.600 0.165 50 40 HCGB COc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N\NC(=O)C(=O)NN)cc1 5713509 BZIPLCNHHPWMBD-YDZHTSKRSA-N 405.455 0.881 50 40 HCGB N#Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 3456758 JDQRHEJHGISYMY-UHFFFAOYSA-N 414.443 0.654 50 40 HCGB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 102751496 HHNIKPQHZAIWFT-OKILXGFUSA-N 421.837 0.819 50 40 HCGB N#CCC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408739771 AHAQQPAAFJIWQA-GBYSLYJZSA-N 408.237 0.829 50 40 HCGB CN(CC(=O)OCC(=O)NNC(=O)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 10239111 OFMBDBMVWCSQRX-UHFFFAOYSA-N 423.422 0.451 50 40 HCGB CCOc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 44906384 GUBSQANIRKNMBA-UHFFFAOYSA-N 406.464 0.870 50 40 HCGB O[C@@H]1[C@@H](CI)O[C@@H](Oc2ccc(Cl)cc2)[C@H](O)[C@H]1O 4023530 LWXGOASPHJILNF-RMPHRYRLSA-N 400.596 0.961 50 40 HCGB biogenic CCn1nc(C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(N)=O)c2ccccc2c1=O 9507063 DEMHHWSZYDJKFJ-INIZCTEOSA-N 422.445 0.457 50 40 HCGB O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)Cn1nnc(-c2ccccc2)n1 13134897 BAYVXXZIBAUTLV-UHFFFAOYSA-N 421.417 0.876 50 40 HCGB COCCCNC(=O)/C(C#N)=C\c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 2202562 BAAVJPWQPNBZNX-VKAVYKQESA-N 424.505 0.814 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1CN1CCCCCC1 15162920 LGJPQBWUBKVUFH-SRZZPIQSSA-N 410.442 0.767 50 40 HCGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c1 32479339 BWZAFWOLGQLZSD-HNNXBMFYSA-N 424.523 0.735 50 40 HCGB COC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccnc1 6878978 ICXCKNSIYUVEDG-MVMZHWFQSA-N 417.450 0.301 50 40 HCGB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13063182 TXXQYBJKOBAAGJ-UHFFFAOYSA-N 421.387 0.616 50 40 HCGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1 32479340 BWZAFWOLGQLZSD-OAHLLOKOSA-N 424.523 0.735 50 40 HCGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC(C)C)o2)cc1 408879546 BSMOPLZZXJDLTK-JJFYIABZSA-N 413.434 0.818 50 40 HCGB CCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1 28286817 AOMWFPXUUJGKCR-UHFFFAOYSA-N 413.799 0.907 50 40 HCGB CN(Cc1ncc(C(=O)NN)c(N2CCCCC2)n1)S(=O)(=O)c1ccccc1 223461681 BFSFLZXYGQGUHP-UHFFFAOYSA-N 404.496 0.891 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccnc2)c1COc1ccccc1 2253648 MKXITBYGZWDLLR-UFFVCSGVSA-N 405.378 0.970 50 40 HCGB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 102331435 FNZXXXVEONURAY-LUVWLHFXSA-N 405.414 0.645 50 40 HCGB COCCNC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2ccccn2c1=O 5022367 HNRSXYMHOFLSBI-SEYCNFAISA-N 411.462 0.978 50 40 HCGB CCn1c(NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)nc2ccccc2c1=O 102666581 GMWJQBBKPFDZEO-SYWGBEHUSA-N 407.430 0.667 50 40 HCGB COCCCNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 2202560 BAAVJPWQPNBZNX-SAPNQHFASA-N 424.505 0.814 50 40 HCGB NNC(=O)C(=O)N/N=C(\CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1 5811507 MRAMTHOFIWHURT-NLRVBDNBSA-N 423.473 0.861 50 40 HCGB COC(=O)C1=c2s/c(=C/c3cccnc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccnc1 8742303 ICXCKNSIYUVEDG-AHQMPEJBSA-N 417.450 0.301 50 40 HCGB Cc1nc2c(cc1C(=O)N/N=C\c1cc(O)cc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C 33352258 IECFEQSQQFSYLF-UWVJOHFNSA-N 412.362 0.318 50 40 HCGB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)/C(C#N)=C(\C)N)cc1 9634998 NIYLSVQPKRQXSU-RVDMUPIBSA-N 408.436 0.182 50 40 HCGB Cn1c(=O)c2ncn(CC(=O)NN=Cc3cccc(Br)c3)c2n(C)c1=O 12318707 BUCORBPXDDWRAA-UHFFFAOYSA-N 419.239 0.347 50 40 HCGB CCN(CC)Cc1c(C(=O)N/N=C2/C(=O)Nc3ccccc32)nnn1-c1nonc1N 13382222 SSPAPJVQLZYKEB-UHFFFAOYSA-N 424.425 0.161 50 40 HCGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 29440083 LEDVZFCIOUVPBJ-SJKOYZFVSA-N 413.409 0.861 50 40 HCGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3)c2=O)=C(C(N)=O)[C@H]1c1ccccc1 1296701 PHIHICPCNZPZKM-NIFLVVHWSA-N 400.463 0.823 50 40 HCGB COC(=O)[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@](C)(OC(C)=O)[C@H]1OC(C)=O 35193894 PORBARGBVAPWGY-JNLQPACOSA-N 411.201 0.464 50 40 HCGB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 39995707 RQVNBNHQAJRVFH-CABCVRRESA-N 411.480 0.520 50 40 HCGB COC(=O)c1ccc(C(=O)OC)c(N/N=C2\C(=O)N(CCO)C(=O)C(C#N)=C2C)c1 96193201 SNMVUHPWRUAYMZ-JCMHNJIXSA-N 414.374 0.229 50 40 HCGB CC(C)[C@H](CNC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O 202536926 PPAJFLNVGDSLAB-ALKREAHSSA-N 413.283 0.843 50 40 HCGB O=C(C[C@@H]1NC(Cc2ccccc2)=NNC1=O)NNC(=S)NC1CCCCC1 3204856 BYKPFGOEPSNQKW-HNNXBMFYSA-N 402.524 0.849 50 40 HCGB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccncc2)cc1 12847662 DAJWAEKWRUCHDO-UHFFFAOYSA-N 405.436 0.170 50 40 HCGB C[C@@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12972841 FZGVZDYQWYQHHM-IUODEOHRSA-N 408.480 0.004 50 40 HCGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 5085019 AAAWSHDPPHCEMX-OBHPCNEJSA-N 405.476 0.848 50 40 HCGB CC1(C)O[C@H]([C@@H](CCl)OS(C)(=O)=O)[C@@H]([C@@H](CCl)OS(C)(=O)=O)O1 104189359 FHSMMZCSHWSQPT-ZYUZMQFOSA-N 415.313 0.674 50 40 HCGB CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 96004053 FUFYMMDKTDSYAW-SNVBAGLBSA-N 423.322 0.856 50 40 HCGB O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 102971823 DFYBNFNAIQNPIA-LEZGYBIHSA-N 424.596 0.354 50 40 HCGB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1cncn1-c1ccc(F)cc1 9883435 NOSOVRUGUJNNCI-UHFFFAOYSA-N 422.376 0.476 50 40 HCGB CCNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2c(C)cccn2c1=O 2419451 SIYZCSAXAXQLPX-RVDMUPIBSA-N 408.462 0.748 50 40 HCGB CN(C)Cc1c(C(=O)N/N=C/c2c(F)cccc2Cl)nnn1-c1nonc1N 3640465 GKSRWBJZBWLOQK-KPSZGOFPSA-N 407.797 0.851 50 40 HCGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1ccccc1O 408732762 YMSOOMFQGMMJDI-REZTVBANSA-N 415.391 0.390 50 40 HCGB O=C(NNC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)on1)c1ccc2c(c1)OCCO2 66088548 FCIJPZQOEMYKAJ-UHFFFAOYSA-N 414.334 0.674 50 40 HCGB COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc(Br)c1O 942528 BOSKPTPTGMRXOM-OMCISZLKSA-N 412.200 0.018 50 40 HCGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O 104376290 LWBJDHLBXHCBMY-MZAUSLISSA-N 416.306 0.515 50 40 HCGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(N)=O)cc1)N(c1ccccc1)S(C)(=O)=O 408920578 JETIZIDXXGQRCE-OMBDHMDGSA-N 418.475 0.856 50 40 HCGB C[S@]([O])(=O)=C1C=CC(=C(O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)C=C1 1560408684 QXCBMQPIUSMZHB-SNVBAGLBSA-N 412.271 0.147 50 40 HCGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1I 3087704 ZBWWNJYDXLXDDM-VIFPVBQESA-N 408.155 0.886 50 40 HCGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc(OC)c1OC 6090252 QNBWLLFOGJQJGC-UHFFFAOYSA-N 412.402 0.915 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 5793929 GPUFFFGIPNBVAU-PGMHBOJBSA-N 400.416 0.518 50 40 HCGB N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 6230048 NNWCTAJWPCSNBH-QQTULTPQSA-N 405.414 0.962 50 40 HCGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(C(N)=O)cc1 12763013 JQICSPWQRVMMOT-UHFFFAOYSA-N 401.242 0.510 50 40 HCGB COc1c(C[C@@H]2CC(C(=O)NN)=NO2)c(Br)c2c(c1OC)OCO2 14987704 JCZGUAJPOWSRBF-ZCFIWIBFSA-N 402.201 0.872 50 40 HCGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 1305830 QFKMBWKVVRUKCE-DAFNUICNSA-N 422.441 0.776 50 40 HCGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 2351022 DHGKYAVUNXQKCS-UHFFFAOYSA-N 408.348 0.241 50 40 HCGB CS(=O)(=O)OC[C@H](Br)[C@H](Br)COS(C)(=O)=O 104189347 MSGAAUGGFRKJCY-OLQVQODUSA-N 404.098 0.466 50 40 HCGB O=C(CCl)N(CCCCCO[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 217381881 RZYONJKOFOJXNW-ZIAGYGMSSA-N 415.961 0.615 50 40 HCGB O=C(NNC(=S)NC(=O)c1ccccc1)NNC(=S)NC(=O)c1ccccc1 8385121 ZRKUJBTYXZAUIF-UHFFFAOYSA-N 416.488 0.725 50 40 HCGB CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](C)Cl)N(C)C1 16696689 KDLRVYVGXIQJDK-ZNZDIMKLSA-N 424.991 0.390 50 40 HCGB N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccc(Br)o1 13131209 IELAZCLHFOLOCV-UHFFFAOYSA-N 421.207 0.870 50 40 HCGB CC(C)C[C@H](NC(=O)[C@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@H](C)O)B(O)O 201710193 SJFBTAPEPRWNKH-ZOCIIQOWSA-N 413.283 0.771 50 40 HCGB in-vitro COCCCNC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2c(C)cccn2c1=O 2207412 JPRJLWKKLVSIJU-DTQAZKPQSA-N 411.462 0.899 50 40 HCGB CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 13134854 XNWGRHNVVIFUQT-UHFFFAOYSA-N 424.504 0.599 50 40 HCGB O=C(Cn1c(=O)oc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 9666139 VRZZGKKJXOYFPT-UHFFFAOYSA-N 403.420 0.349 50 40 HCGB O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)c1csc(N2CCOCC2)n1 12973738 BUHMJWNACARILZ-UHFFFAOYSA-N 404.420 0.881 50 40 HCGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccc(OCC(N)=O)c2)C(C#N)=C(N)O1 1760754 RMSDOAVCEHAMPZ-INIZCTEOSA-N 401.375 0.349 50 40 HCGB CCOC(=O)CNC(=S)NNC(=O)C1CCN(c2ccc(Cl)nn2)CC1 5325576 WLNGZXFPEYDZJB-UHFFFAOYSA-N 400.892 0.405 50 40 HCGB COC(=O)C1=c2s/c(=C\c3ccncc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccncc1 36125712 GBOCTUSUMGBHSQ-IZNAZMGOSA-N 417.450 0.301 50 40 HCGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)c1OC 2375285 DKZDIUZIXROLHI-UFWORHAWSA-N 415.414 0.075 50 40 HCGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668012 UPFJEBITOGMJHQ-RZQILNRJSA-N 413.430 0.410 50 40 HCGB O=C(NN=C1NC(=O)C([N+](=O)[O-])C(=O)N1)c1cc(-c2cccs2)nc2ccccc12 2276724 HPQLTKBRZWLNTG-UHFFFAOYSA-N 424.398 0.855 50 40 HCGB CS(=O)(=O)OC[C@H](Br)[C@@H](Br)COS(C)(=O)=O 1558109 MSGAAUGGFRKJCY-WDSKDSINSA-N 404.098 0.466 50 40 HCGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 17138289 DBSWZVWCYQKVMC-UHFFFAOYSA-N 411.374 0.871 50 40 HCGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58874005 TYDOEAKFGOLQDQ-ORWNMUSCSA-N 404.467 0.679 50 40 HCGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408655576 HPEQMBQXMSUMMF-OHYFQZGNSA-N 411.414 0.186 50 40 HCGB O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 7735719 ZIEXCQLVWLDRBA-UHFFFAOYSA-N 405.370 0.370 50 40 HCGB O=C(Cc1nnc(/N=C(\O)c2ncn[nH]2)s1)NN=Cc1cccc([N+](=O)[O-])c1 16399823 DRUJBIKMMISUKQ-UHFFFAOYSA-N 401.368 0.894 50 40 HCGB COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 4079703 CVUDLEQRQXLWIE-CIAFOILYSA-N 418.475 0.826 50 40 HCGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC(=O)NNC(=O)c1ccc2c(c1)OCO2 15663161 PYERGHHXHDNYBC-FPYGCLRLSA-N 412.358 0.914 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@H](C)CC[C@H]2C(=O)N(C)C(=O)[C@H]21 245225180 PENSZXSOVNCGMM-XHSVMWQWSA-N 417.462 0.889 50 40 HCGB COc1ccc(/C=N/NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3nc2C)cc1OC 2125568 KUGOECPWIKWOCO-UFFVCSGVSA-N 411.418 0.722 50 40 HCGB biogenic Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNc1nnc(O)nc1O 13543993 IJQOTFRKYCMGQI-FBCYGCLPSA-N 402.802 0.993 50 40 HCGB COC(=O)C1=c2s/c(=C\c3ccncc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccncc1 36125714 GBOCTUSUMGBHSQ-DDITZMBXSA-N 417.450 0.301 50 40 HCGB CCOc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CC(N)=O)c3ccccc32)cc1 1296552 XXDKHANEJYPWSK-PLRJNAJWSA-N 423.429 0.168 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccn2)c1-c1cccc([N+](=O)[O-])c1 3095499 PCWAYPRCWWEJKG-AWQFTUOYSA-N 420.349 0.967 50 40 HCGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 1245816 BEPRIOVZVJJIEI-IHCLVQKISA-N 420.425 0.996 50 40 HCGB COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H]1OC(C)=O 254428889 PORBARGBVAPWGY-VXUPGSCNSA-N 411.201 0.464 50 40 HCGB O=C(NNC(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 3621393 DKQKQOKRPUGLKP-UHFFFAOYSA-N 407.423 0.921 50 40 HCGB COC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccnc1 6878977 ICXCKNSIYUVEDG-YMDFIQGPSA-N 417.450 0.301 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1-c1ccc([N+](=O)[O-])cc1 1898243 SJNVOGZCABNIGZ-AWQFTUOYSA-N 420.349 0.967 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2OC)c2ccccc21 13775156 YUOHRCBQDMZYLS-CLCOLTQESA-N 424.413 0.465 50 40 HCGB Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)NN=C1CCCCCC1 25761216 WLBGKAKLMIOCNU-UHFFFAOYSA-N 403.447 0.505 50 40 HCGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408655582 HPEQMBQXMSUMMF-VJOHVRBBSA-N 411.414 0.186 50 40 HCGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C 9168801 RBIBRLSALKDBKA-CNHKJKLMSA-N 402.371 0.331 50 40 HCGB CN(C)N(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 12607510 PRPZBCQMWFUMQR-CQSZACIVSA-N 412.468 0.537 50 40 HCGB CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1[C@H](C)CC[C@@H]2C(=O)N(C)C(=O)[C@H]21 245225178 PENSZXSOVNCGMM-JGTCGTHISA-N 417.462 0.889 50 40 HCGB O=C(COc1ccccc1Cl)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 5178129 XRGVOVMPMSPSCR-UHFFFAOYSA-N 402.794 0.570 50 40 HCGB CC(=O)OC[C@@H]1O[C@H](Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 15836600 CYAYKKUWALRRPA-NDKCEZKHSA-N 411.201 0.464 50 40 HCGB CCn1c(C)nc2cc(C(=O)NNC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)ccc21 9884131 QGBJXUACXFIQBT-UHFFFAOYSA-N 420.429 0.829 50 40 HCGB Cc1nn(CC(=O)NNC(=O)[C@@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)c1[N+](=O)[O-] 2786027 LDYRGIAZUBJSKV-QMMMGPOBSA-N 422.402 0.613 50 40 HCGB CCCc1c(C(=O)N/N=C/c2ccc(OC)cc2OC)nnn1-c1nonc1N 9307730 KAHCFXJUJKXSJP-DJKKODMXSA-N 400.399 0.966 50 40 HCGB O=C(CNS(=O)(=O)Cc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 25163458 SKAJEWQHAGDHPR-MRXNPFEDSA-N 405.432 0.093 50 40 HCGB CC(C)Oc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1 2399391 JJABZIDHPOCZBG-AWQFTUOYSA-N 413.442 0.845 50 40 HCGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CC(N)=O)c1ccccc12 2497121 WRWBXSIQGUMTCE-JOCHJYFZSA-N 414.377 0.997 50 40 HCGB O=C(NNC(=O)c1ccccc1O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 22259393 QSTVEWCTFYPPJQ-CQSZACIVSA-N 419.459 0.924 50 40 HCGB CCOc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102375763 FNNOENXEMAXHTQ-OKILXGFUSA-N 401.419 0.806 50 40 HCGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2ccoc2)nnn1-c1nonc1N 2443522 GAJAICKSKQQNDT-AYSLTRBKSA-N 415.399 0.010 50 40 HCGB Cc1ccc(N2C[C@@H](C(=O)NNC(=S)NCCN3CCOCC3)CC2=O)cc1 25720611 YJPDXJJKJNGFPA-HNNXBMFYSA-N 405.524 0.175 50 40 HCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 100282882 YJLPDCVFAGDMKW-HKOYGPOVSA-N 412.377 0.596 50 40 HCGB Cn1cc(I)c(C(=O)NNC(=O)CCn2cc(Cl)cn2)n1 2785102 RPLAERYQGSZEBT-UHFFFAOYSA-N 422.614 0.726 50 40 HCGB Cc1ccc(/C=N/NC(=O)Cn2nc(-c3nonc3N)nc2-c2nonc2N)cc1 2229009 NVQUPMPCFNBBKC-KPSZGOFPSA-N 409.370 0.001 50 40 HCGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1n[nH]c(=O)c2ccccc12 5827315 VWSUOIZJDNNAQZ-UHFFFAOYSA-N 420.473 0.896 50 40 HCGB CN(C)N(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 32768885 PVAVDWDHKPQHLN-NSHDSACASA-N 405.454 0.104 50 40 HCGB COCc1c(C(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 6014111 AJNDYCWHJILIEX-IUXPMGMMSA-N 401.343 0.441 50 40 HCGB O=C(NCCCl)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12561324 HZBQBPGXKWQKFJ-UHFFFAOYSA-N 407.836 0.481 50 40 HCGB COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NN)cc1)N(C)CC3)OCO2 20412592 WELMSDULFBHCPJ-INIZCTEOSA-N 423.433 0.580 50 40 HCGB biogenic N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(I)cc1 59500955 NTWNPLUMHOMDEG-SECBINFHSA-N 408.155 0.886 50 40 HCGB O=C(NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 195552707 DFYBNFNAIQNPIA-FAYOZSNISA-N 424.596 0.354 50 40 HCGB CCC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](Br)[C@H]1OC(=O)CC 102806319 NGLIYDLJNROMLW-ISTUKMMPSA-N 419.228 0.473 50 40 HCGB biogenic O[C@H](CI)[C@@H]1OCO[C@@H](CI)[C@@H]1O 5249477 IMODQIINIOVBTI-BWBBJGPYSA-N 413.977 0.320 50 40 HCGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2O)c2ccccc21 1300361 LTKHVKHYFZEOTN-CLCOLTQESA-N 424.413 0.552 50 40 HCGB COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC 49946568 QNIFZTBNUIPDTD-LBPRGKRZSA-N 407.448 0.832 50 40 HCGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 104488095 KGVMCEKBZYKNKP-QBFSEMIESA-N 411.411 0.329 50 40 HCGB C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/CO)C[C@](O)(CCl)[C@@H]1C=C[C@@](C)(O)[C@@H]21 257450116 IXLMITLRFJSJRS-KXHWQKKCSA-N 412.866 0.861 50 40 HCGB COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@](C)(OC(C)=O)[C@@H]1OC(C)=O 35193889 PORBARGBVAPWGY-JLDUMIBSSA-N 411.201 0.464 50 40 HCGB O=C(NNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 102971821 DFYBNFNAIQNPIA-UQPQVDFHSA-N 424.596 0.354 50 40 HCGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)ccc1O 1872614 ISHDBFMKOAESSY-UFWORHAWSA-N 415.414 0.162 50 40 HCGB COc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1OC 20058545 UFDTWSGGXZAPOS-FYJGNVAPSA-N 408.455 0.001 50 40 HCGB O=C(N/N=C1/C[C@@H](n2cnc([N+](=O)[O-])n2)[C@H]2CO[C@@H]1O2)c1cccc([N+](=O)[O-])c1 9459128 FFBJWOJFUNBZLQ-DJELDJHFSA-N 403.311 0.567 50 40 HCGB COCc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(Br)c1 1086280 IDUXCGKWDBZSHE-UBKPWBPPSA-N 421.215 0.905 50 40 HCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 1241060 GVDRIJGPNQHYKE-OFGUMHRGSA-N 418.409 0.443 50 40 HCGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CC(N)=O)c1ccccc12 2236914 WRWBXSIQGUMTCE-QFIPXVFZSA-N 414.377 0.997 50 40 HCGB COCc1c(C(=O)N/N=C/c2ccc(OC)c(OC)c2)nnn1-c1nonc1N 3118104 KIKCMIUGYBRWEA-CNHKJKLMSA-N 402.371 0.160 50 40 HCGB O=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1)NNC(=O)c1ccccc1 139048141 JHRHEPJSPIWOOO-UHFFFAOYSA-N 412.402 0.232 50 40 HCGB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C/C=N/NC(=O)c1ccccc1 4730581 QVPMYAIEKAQHEE-REZTVBANSA-N 405.212 0.602 50 40 HCGB O=C(NNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 102241907 INPRNPOJJSCGAA-ZQIUZPCESA-N 405.476 0.681 50 40 HCGB CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2cccc(C(C)=O)c2)s1 1626483 ABJJEKMKPILGSQ-UHFFFAOYSA-N 418.435 0.517 50 40 HCGB COc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cc(OC)ccc2OC)c1 2304232 WKVNXEVPFKMXRZ-UHFFFAOYSA-N 403.391 0.877 50 40 HCGB O=C(NNC(=O)c1ccccc1O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 22259389 QSTVEWCTFYPPJQ-AWEZNQCLSA-N 419.459 0.924 50 40 HCGB COCCNC(=S)NNC(=O)COc1ccccc1I 408586363 NZIMNLVRTSRLIH-UHFFFAOYSA-N 409.249 0.812 50 40 HCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 9334929 CQLMOMIOMCNYIJ-DAFNUICNSA-N 422.441 0.776 50 40 HCGB CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccc(S(N)(=O)=O)cc1)C(F)(F)F 12412286 XOZYFGRDMLNHHD-LBPRGKRZSA-N 417.793 0.923 50 40 HCGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2nc[nH]n2)s1 408732106 SBVWZNGOOBCKQN-FBCYGCLPSA-N 409.435 1.391 50 40 HCGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O 2201364 SFMGWOHABZPTGV-NTCAYCPXSA-N 406.446 0.605 50 40 HCGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 5355394 OKNVKYMDMPRDRG-XHQRYOPUSA-N 410.386 0.860 50 40 HCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccoc2)c1-c1ccc2c(c1)OCO2 9308228 GEOWQALULNPFER-KPSZGOFPSA-N 408.334 0.985 50 40 HCGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)N1CCCC1 408777589 CRDDTSOBKNNQME-UNOMPAQXSA-N 404.448 0.831 50 40 HCGB C[C@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12972840 FZGVZDYQWYQHHM-WFASDCNBSA-N 408.480 0.004 50 40 HCGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 59959740 ZYCPDTHQFVBMBQ-LPYMAVHISA-N 404.467 0.727 50 40 HCGB O=C(CN1CCOCC1)N/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408993614 DRMQIAFHJQZBFC-ATDWHHCWSA-N 423.882 0.138 50 40 HCGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1nc(N2CCOCC2)ncc1Cl 40140325 BNWQCFMKOUFTIM-AWEZNQCLSA-N 419.825 0.568 50 40 HCGB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 102331438 FNZXXXVEONURAY-DSIZOQBWSA-N 405.414 0.645 50 40 HCGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C 3392434 FLZPZYJWCSCRPN-KRWDZBQOSA-N 419.459 0.569 50 40 HCGB C[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12985499 MUVDFYCAFMPDIE-GFCCVEGCSA-N 408.480 0.147 50 40 HCGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58873017 OITIUUPOHGHOHA-QWUOEIFBSA-N 402.451 0.503 50 40 HCGB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)NN)c(N3CCCC3)n2)cc1 223460933 RJZCSAVVCATHFP-UHFFFAOYSA-N 404.496 0.809 50 40 HCGB Nc1cc(S(N)(=O)=O)ccc1SSc1ccc(S(N)(=O)=O)cc1N 3954156 CVACEDCBGCMVKB-UHFFFAOYSA-N 406.536 0.945 50 40 HCGB in-vitro Cc1ccccc1/C=N/NC(=O)c1c(CN2CCOCC2)nnn1-c1nonc1N 25781852 PLLIBEMYCZFASD-KEBDBYFISA-N 411.426 0.137 50 40 HCGB COc1ccc(CC(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 32198239 BYRAWDRQZSNNPY-UHFFFAOYSA-N 411.505 0.852 50 40 HCGB Cn1cnnc1SCc1c(C(=O)N/N=C/c2ccco2)nnn1-c1nonc1N 9361117 YFIZPUQHPVLEDO-FZSIALSZSA-N 415.399 0.010 50 40 HCGB CCC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](Br)[C@@H]1OC(=O)CC 39438325 NGLIYDLJNROMLW-HKSFMPNISA-N 419.228 0.473 50 40 HCGB O=C(NNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccn1 9504196 YPFQNOZQXAMJJG-UHFFFAOYSA-N 409.493 0.940 50 40 HCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 4200092 WKLOSRVDQHDSAD-ORWNMUSCSA-N 402.451 0.433 50 40 HCGB O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(F)cc3)c2)CCN1 12949600 GREPKRHZXUWDDI-UHFFFAOYSA-N 420.422 0.021 50 40 HCGB COc1cc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc(OC)c1OC 32967448 HKSRPMOODPMOLS-BBATYDOGSA-N 409.464 0.927 50 40 HCGB Nc1nonc1-n1nnc(CN2CCCC2)c1C(=O)N/N=C1/CCc2ccccc21 102277622 LHQJSNDFAXSWPZ-STZFKDTASA-N 407.438 0.909 50 40 HCGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1cc(-c2ccccc2)n[nH]1 9915562 LNDVOZUEHPTDLU-UHFFFAOYSA-N 407.386 0.996 50 40 HCGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3cccn3C)CC2)cc1 35447272 HXFRIHNKCPFLTL-XSFVSMFZSA-N 403.508 0.790 50 40 HCGB COc1ccc(C)cc1N1C[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 25056491 DNZLQEWVODLXGY-HUUCEWRRSA-N 409.508 0.849 50 40 HCGB N#Cc1ccc(Nc2cnc([C@H]3CCCN3Cc3ccc(B(O)O)cc3)cn2)cn1 585293692 KBHRCDMDQYFRLB-HXUWFJFHSA-N 400.251 1.504 50 40 HCGB C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 40143155 MSTFSYHLEHMRBL-LBPRGKRZSA-N 410.496 0.393 50 40 HCGB O=C(OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@@H](Br)[C@H]1O)c1ccccc1 253524382 WLMPSJVPCSSEDV-PYJNHQTQSA-N 411.208 0.828 50 40 HCGB CC(C)CNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408781795 DZVQICDJJPLSHN-FMCGGJTJSA-N 413.434 0.757 50 40 HCGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=S)NC[C@@H]1CCCO1 15899462 IJJGMMYGPNNTHF-QMMMGPOBSA-N 405.274 0.446 50 40 HCGB Nc1nnnn1CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 2318886 SMWBGZGVNRBXRN-LZWSPWQCSA-N 419.037 0.636 50 40 HCGB COc1ccc(OC)c(N2C(=O)C[C@@H](NNC(=O)c3ccc4c(c3)OCO4)C2=O)c1 3413153 YPQLJAHJCJXYDU-CYBMUJFWSA-N 413.386 0.999 50 40 HCGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccc1I 943091 XXJUMDHUZXCFAO-VIZOYTHASA-N 413.175 0.146 50 40 HCGB CN(C)N(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 32768884 PVAVDWDHKPQHLN-LLVKDONJSA-N 405.454 0.104 50 40 HCGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1cc(S(=O)(=O)O)ccc1Cl 101141882 ZIWJTZSMHMRXGX-CPNJWEJPSA-N 412.811 0.556 50 40 HCGB