smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1N1C(=O)NC(=O)/C(=C\NCCN2CCOCC2)C1=O 19995146 BSJRGKADJUNXJX-OUKQBFOZSA-N 374.397 0.084 10 40 FCCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)NC1=O 101033073 LWMCAVDVOXGDKW-ZDUSSCGKSA-N 356.338 0.092 10 40 FCCB COCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 13008559 KTBLVPRBVGUMBO-QGZVFWFLSA-N 362.474 0.551 10 40 FCCB O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c([C@H](CO)CCO)c2O 14828630 ZLIRCPWCWHTYNP-ZETCQYMHSA-N 360.318 0.743 10 40 FCCB biogenic,in-vitro COc1ccccc1N1C(=O)/C(=C\NN2CCOCC2)C(=O)N=C1S 8626347 DVKDGMURBXLARX-KHPPLWFESA-N 362.411 0.575 10 40 FCCB CN1C(=O)C(=CNc2cc3nc(O)[nH]c3cc2[N+](=O)[O-])C(=O)N(C)C1=O 408535503 SXBOMEGBRPWWKO-UHFFFAOYSA-N 360.286 0.523 10 40 FCCB Cc1cccc(N2C(=O)/C(=C\NCCN3CCOCC3)C(=O)N=C2S)c1 102569039 DPPCRGMHYCWCMA-QINSGFPZSA-N 374.466 0.960 10 40 FCCB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(N)=O)co3)CC2)cc1 36358936 VQVPUJNDNDFZEO-UHFFFAOYSA-N 373.409 0.835 10 40 FCCB COc1ccc(N2C(=O)/C(=C/NCC[N+](C)(C)C)C(=O)NC2=S)cc1 5926472 PVJSNPCZGCVIMQ-UHFFFAOYSA-O 363.463 0.623 10 40 FCCB CCN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C(=O)N(CC)C1=S 4545136 PZSFZLIVGMMCLC-UHFFFAOYSA-N 361.423 0.930 10 40 FCCB COc1cccc([C@@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O 13133099 WNPOIOPYLLSBQR-PAKFGRKTSA-N 362.382 0.898 10 40 FCCB CC1(C)OCC([N+](=O)[O-])(/[N+]([O-])=N/c2nonc2N2CCOCC2)CO1 44932707 QPEWOVPNRQSIJW-LGMDPLHJSA-N 358.311 0.256 10 40 FCCB COC(=O)c1[nH]c2cc(OC)ccc2c1NC=C1C(=O)NC(=O)NC1=O 95346295 XYOBFNKEAFDPAG-UHFFFAOYSA-N 358.310 0.625 10 40 FCCB CCOC(=O)c1nc[nH]c1/N=N/c1nc(C(=O)N2CCOCC2)c(N)[nH]1 8695031 NGSMLSNFLRUMJT-QZQOTICOSA-N 362.350 0.780 10 40 FCCB O=C1N=C(O)/C(=C/NCCN2CCNCC2)C(=O)N1Cc1ccccc1 102511762 FAUAAPWDYQHLEA-QINSGFPZSA-N 357.414 0.484 10 40 FCCB Cc1ccc(N2C(=O)/C(=C\NN3CCN(C)CC3)C(=O)N=C2O)cc1C 20289231 WSZMSYOIVSTOTE-PTNGSMBKSA-N 357.414 0.727 10 40 FCCB CO[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C(=O)C1(O)O 230518960 JMFTYICJUAYCAQ-INIZCTEOSA-N 350.279 0.264 10 40 FCCB biogenic,in-vitro CCS(=O)(=O)c1ccc(O)c(NC=C2C(=O)NC(=S)NC2=O)c1 85594154 NCQGGWPNCNLMMW-UHFFFAOYSA-N 355.397 0.013 10 40 FCCB COc1ccc(N2CCC(O)(CN3CCO[C@@](C)(C(N)=O)C3)CC2)cc1 585283348 NQCMUUAVQBUSKQ-GOSISDBHSA-N 363.458 0.603 10 40 FCCB CN1CCN(N/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)CC1 2591019 BAVPSNHVLTVZKX-UVTDQMKNSA-N 361.377 0.880 10 40 FCCB Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2c(O)c(O)ccc12 2122355 ZUHWQASDLOURDW-UHFFFAOYSA-N 360.366 0.779 10 40 FCCB biogenic CN1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCCC2)C1=O 408527205 CZPFSSPMVPXQCW-CMDGGOBGSA-N 370.369 0.873 10 40 FCCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCN1CCNCC1 100149280 NYNLQPZPCYLYJA-FOWTUZBSSA-N 358.402 0.696 10 40 FCCB CC[C@]1(C(=O)OC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245229720 DUEHFAXTXDYXTH-GJRWTSMGSA-N 359.426 0.950 10 40 FCCB CCN1C(=O)[C@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4856728 CXGCEDVXGMNZMU-MMMWYMCRSA-N 359.426 0.950 10 40 FCCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/N[C@H](Cc1c[nH]cn1)C(=O)O 20567362 UXCCDSRAZZSBMO-YQCJOKCJSA-N 369.337 0.162 10 40 FCCB COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(C)=O)c1C 40476914 OLYHDVRXJRUWSS-UHFFFAOYSA-N 367.408 0.872 10 40 FCCB COc1cccc(N2C(=O)/C(=C/NN3CCOCC3)C(=O)N=C2S)c1 9329754 NANGJMJWKSJIBF-JLHYYAGUSA-N 362.411 0.575 10 40 FCCB CC[C@@]1(C(=O)OC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500726 DUEHFAXTXDYXTH-XMDUPGNXSA-N 359.426 0.950 10 40 FCCB CN1CCN(N/C=C2\C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)CC1 20267164 GVDJHDFGUOFDGN-JLHYYAGUSA-N 363.805 0.763 10 40 FCCB CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22734127 JGMOFYVYQJWJES-KRWDZBQOSA-N 360.458 0.305 10 40 FCCB CCc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCOCC3)C2=O)cc1 100798953 KLZIDQSITBCXOB-DTQAZKPQSA-N 372.425 0.638 10 40 FCCB COc1ccc(CN2C(=O)NC(=O)/C(=C\NCCCN(C)C)C2=O)cc1 100770848 UEXAOKSLULMCLW-RVDMUPIBSA-N 360.414 0.699 10 40 FCCB NC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 9265686 SWGSNYQISNHHMF-JYRVWZFOSA-N 354.322 0.953 10 40 FCCB COc1c(OC(C)=O)ccc(C=C2C(=O)NC(=S)NC2=O)c1[N+](=O)[O-] 408718379 VPEMULJKZQCVBN-UHFFFAOYSA-N 365.323 0.443 10 40 FCCB COCCN1NC(C(=O)/N=N/C(=O)c2cc([N+](=O)[O-])c[nH]2)=CC=C1O 49625257 FZVROAHZFIWRIE-FOCLMDBBSA-N 350.291 0.792 10 40 FCCB CN(C)CCCN/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 2300140 BVAAWRKWDQHVAU-ZHACJKMWSA-N 350.419 0.999 10 40 FCCB CN(C)CCCN/C=C1/C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 2308430 IPVIDZYNWHDMHZ-QINSGFPZSA-N 362.405 0.872 10 40 FCCB OC[C@@H]1O[C@@H](O)[C@H](Nc2c3ccccc3nc3ccccc23)[C@H](O)[C@@H]1O 105689373 FQKYLFKYEXZAGH-SXXASDTRSA-N 356.378 0.600 10 40 FCCB CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])C(OC(C)=O)=C1OC(C)=O 1560405379 SGXVTPMOZTWOCM-GYSYKLTISA-N 371.302 0.854 10 40 FCCB CC(=O)OC[C@H]1O[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 98177443 NHNYHKRWHCWHAJ-POQQGIQPSA-N 373.318 0.380 10 40 FCCB O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCN2C(=O)NC[C@H]2C1 75106386 NZGVHGTVTKJEAX-ZVVFDCPKSA-N 356.426 0.772 10 40 FCCB Cn1c(=O)c2nc3sc4c(n3c2n(C)c1=O)C(=O)c1ccccc1C4=O 1624060 UKEMTDWFWSMKLU-UHFFFAOYSA-N 366.358 0.722 10 40 FCCB COc1cc(N2CCOCC2)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O 4675848 IMDHMTBFVRDPFR-UHFFFAOYSA-N 359.382 0.966 10 40 FCCB CC(C)CN1[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2OCCS1(=O)=O 1534645891 PZQDDCUEZCIIIB-PBHICJAKSA-N 370.471 0.969 10 40 FCCB CCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 9570039 TYJFTKIRIVRGMX-UHFFFAOYSA-N 355.460 0.673 10 40 FCCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\NCCN1CCOCC1 19997599 LUBHSASGXXGQIV-QXMHVHEDSA-N 362.361 0.214 10 40 FCCB CCCCCCN1C(=O)NC(=O)/C(=C/NCCN2CCOCC2)C1=O 20025147 DILHFVXQXRVIGZ-YPKPFQOOSA-N 352.435 0.451 10 40 FCCB CC(C)(C)OC(=O)NCC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 58419465 MSPPBBSEAPHAQM-UHFFFAOYSA-N 362.430 0.764 10 40 FCCB COC(=O)c1[nH]c2cc(OC)ccc2c1NC=C1C(=O)NC(=S)NC1=O 13630036 JFBVWFBDLYRMDP-UHFFFAOYSA-N 374.378 0.790 10 40 FCCB COc1cccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1O[C@H](C)C(=O)O 409249461 UFOLMYLGCUWDSP-RYGSOJJJSA-N 364.379 0.804 10 40 FCCB CS(=O)(=O)N1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 79096312 OARKGVNASKXSBW-UHFFFAOYSA-N 370.387 0.397 10 40 FCCB O=C1NC(=O)C(=CNc2cc3nc(O)[nH]c3cc2N2CCCCC2)C(=O)N1 408531606 OQKUBGWNSHRVJR-UHFFFAOYSA-N 370.369 0.921 10 40 FCCB CN1C(=O)NC(=O)/C(=C\N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)C1=O 20573177 JFBYVRPAWHIGTO-RUNBWSAHSA-N 356.338 0.345 10 40 FCCB CC(C)NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1 8235657 QLIXIDUJOGWBKL-UHFFFAOYSA-N 352.372 0.035 10 40 FCCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/NCCN1CCOCC1 19996003 RSJZKOUHNXAVGE-NTCAYCPXSA-N 358.398 0.071 10 40 FCCB CCN1C(=O)C(=CNCC(C)(C)N2CCOCC2)C(=O)N(CC)C1=S 25436560 ZQPGATDINHNVCJ-UHFFFAOYSA-N 368.503 0.566 10 40 FCCB O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCN2C(=O)NC[C@@H]2C1 75106385 NZGVHGTVTKJEAX-ZNNBYXKUSA-N 356.426 0.772 10 40 FCCB NC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 409226342 VEWRDOIROCTYLM-UHFFFAOYSA-N 374.205 0.772 10 40 FCCB CCOC(=O)[C@@H](C(=O)c1ccn(C)n1)C1(O)C(=O)c2ccccc2C1=O 20606715 KYHWXHBCUAKQRL-CYBMUJFWSA-N 356.334 0.592 10 40 FCCB OC[C@@H]1O[C@H](O)[C@H](Nc2c3ccccc3nc3ccccc23)[C@H](O)[C@H]1O 247841752 FQKYLFKYEXZAGH-HXFGRODQSA-N 356.378 0.600 10 40 FCCB biogenic O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\N[C@H](Cc1c[nH]cn1)C(=O)O 101367204 UXCCDSRAZZSBMO-LLBKUYECSA-N 369.337 0.162 10 40 FCCB COc1ccc(N2CCN(C(=O)COC(=O)c3cnccn3)CC2)cc1 5398540 IMONYCZYBCWFTN-UHFFFAOYSA-N 356.382 0.991 10 40 FCCB O=c1[nH]cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(=O)[nH]1 32554009 ALFQKNDKTVHIHA-UHFFFAOYSA-N 350.381 0.988 10 40 FCCB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(O)c2)NC(=O)N[C@]1(O)C(F)(F)F 6439237 ZISULMFSOPDJLP-OPQQBVKSSA-N 364.276 0.882 10 40 FCCB OC[C@@H]1O[C@H](O)[C@@H](Nc2c3ccccc3nc3ccccc23)[C@@H](O)[C@@H]1O 5685484 FQKYLFKYEXZAGH-NLNMYJFZSA-N 356.378 0.600 10 40 FCCB CC(=O)OC[C@@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4293796 NHNYHKRWHCWHAJ-ZUWCUPBKSA-N 373.318 0.380 10 40 FCCB O=C1c2ccc(S(=O)(=O)O)cc2C(=O)c2c1cccc2S(=O)(=O)O 5553422 VNIFUVUQZVMDER-UHFFFAOYSA-N 368.344 0.955 10 40 FCCB CCN1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 4856735 CXGCEDVXGMNZMU-NXEZDXNNSA-N 359.426 0.950 10 40 FCCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/NCCN2CCOCC2)C1=O 19994943 MNDHSHLBMIMXGH-OWBHPGMISA-N 358.398 0.384 10 40 FCCB CN(CC(=O)N(C)CC(=O)NC1CC1)Cc1ccc(N2CCOCC2)cc1 16387123 RKFAAPVCBYNWJV-UHFFFAOYSA-N 374.485 0.692 10 40 FCCB Nc1ccc(CN([C@@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575422383 VJDMXTNBVMKJFO-HUUCEWRRSA-N 358.485 0.445 10 40 FCCB COc1ccc(N2CCC(O)(CN3CCO[C@](C)(C(N)=O)C3)CC2)cc1 585283354 NQCMUUAVQBUSKQ-SFHVURJKSA-N 363.458 0.603 10 40 FCCB Cc1cc(C(=O)C=[N+]=[N-])c(CN2C(=O)c3ccccc3C2=O)c(=O)n1C 5086073 NQXRDPRXAIFJNL-UHFFFAOYSA-N 350.334 0.973 10 40 FCCB O=C(O)[C@@H](CCCN1C(=O)CSC1=S)N1C(=O)CSC1=S 1772717767 VUBFAUJBWZJAPD-ZCFIWIBFSA-N 364.495 0.940 10 40 FCCB COc1ccc(-n2nnnc2CN2CCN(C(=O)NC(C)C)CC2)cc1 21151277 XQZRGEIHWYTWRJ-UHFFFAOYSA-N 359.434 0.907 10 40 FCCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)NC1=O 101042370 HPJIZBKFIUHHME-CYBMUJFWSA-N 372.406 0.256 10 40 FCCB CC[C@]1(C(=O)OC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 19500727 DUEHFAXTXDYXTH-XLPNERPQSA-N 359.426 0.950 10 40 FCCB CCOc1ccccc1N1C(=O)/C(=C/NN2CCN(C)CC2)C(=O)N=C1O 20290938 LVPJEWOPWUCQFW-OUKQBFOZSA-N 373.413 0.508 10 40 FCCB COc1ccc(N2CCN(C[C@H](O)CN(C)CC(=O)N(C)C)CC2)cc1 95466758 YBVZYRZJCGMCEK-QGZVFWFLSA-N 364.490 0.198 10 40 FCCB CCOC(=O)CC[C@H](NC(=O)c1nc[nH]c1/N=N/N(C)C)C(=O)OCC 18130730 UWULJLFDMFZOLZ-MEFNJXNFSA-N 368.394 0.975 10 40 FCCB CN1CCN(Cc2cc([N+](=O)[O-])cc(CN3CCN(C)CC3)c2O)CC1 39379133 LCARYNFINKHQOB-UHFFFAOYSA-N 363.462 0.795 10 40 FCCB Cc1cccc(N2C(=O)/C(=C/NCCN3CCOCC3)C(=O)NC2=S)c1 19998026 DPPCRGMHYCWCMA-NTCAYCPXSA-N 374.466 0.548 10 40 FCCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\NCCN(C)C)C2=O)c1 2248729 ONSNGYYZENWDQI-ZRDIBKRKSA-N 362.386 0.322 10 40 FCCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1CC(=O)NC1=S 104304446 KOMIIJXHUFBEEB-FLIBITNWSA-N 358.379 0.553 10 40 FCCB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1ccc(O)c(O)c1 104279774 XNSYTEQVOICYPE-HNNXBMFYSA-N 357.370 0.624 10 40 FCCB Cc1cc(NCCNC=C2C(=O)NC(=S)NC2=O)nc2ccccc12 98170477 PCSFJICFWKLMOT-UHFFFAOYSA-N 355.423 0.960 10 40 FCCB COc1ccccc1N1C(=O)N=C(O)/C(=C/NCCN2CCOCC2)C1=O 102535861 BSJRGKADJUNXJX-SEYXRHQNSA-N 374.397 0.924 10 40 FCCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(C)C1=O 5753355 MNMMERKRJHAMMN-BRADTZPFSA-N 370.365 0.434 10 40 FCCB O=C(O)c1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1O 226860042 DMYZZLAHRFMZMT-UHFFFAOYSA-N 362.319 0.775 10 40 FCCB COc1ccc(N2CCN(C(=O)CCC(=O)N3CCNC(=O)C3)CC2)cc1 95478569 UHIJPZJNUGCMHE-UHFFFAOYSA-N 374.441 0.082 10 40 FCCB CN1C(=O)C(=CNCc2nc(-c3ccccc3)no2)C(=O)N(C)C1=S 20591828 AWXQIWZNXKUHEA-UHFFFAOYSA-N 357.395 0.925 10 40 FCCB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3O)[C@H]2SC1 1570006108 CUXVKLLSHPANDN-UEKVPHQBSA-N 363.395 0.151 10 40 FCCB O=C1NC(=O)C(=Cc2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1 4380724 UIQBKFLYTAMCRF-UHFFFAOYSA-N 356.088 0.812 10 40 FCCB O=C(O)C[C@H](CNC=C1C(=O)NC(=S)NC1=O)c1ccc(Cl)cc1 20592015 HQWLFEBRTUDUBO-SECBINFHSA-N 367.814 0.903 10 40 FCCB CN1CCN(N/C=C2\C(=O)N(CCc3ccccc3)C(=O)N=C2O)CC1 2591497 LOHUMFCDJYMTGW-SQFISAMPSA-N 357.414 0.784 10 40 FCCB Cc1cccc(N2C(=O)/C(=C\NCCN3CCNCC3)C(=O)N=C2S)c1 103222216 OFEVPIBEWWMVKX-QINSGFPZSA-N 373.482 0.533 10 40 FCCB Nc1ccc(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O 3846907 SPHQXPPVJCWUGX-UHFFFAOYSA-N 350.308 0.284 10 40 FCCB biogenic,in-vivo CN1C(=O)/C(=C\NCCN2CCNCC2)C(=O)N(c2ccccc2)C1=S 20023830 JIBUADODHWWVGY-FYWRMAATSA-N 373.482 0.155 10 40 FCCB CN1C(=O)C(=Cc2cn(CC(N)=O)c3ccccc23)C(=O)N(C)C1=S 6287784 AZJMUCOBPGICKD-UHFFFAOYSA-N 356.407 0.725 10 40 FCCB COC(=O)[C@H](Cc1ccc(O)cc1)NC=C1C(=O)N(C)C(=O)N(C)C1=O 20573745 SDFSTXYGJXUMQB-ZDUSSCGKSA-N 361.354 0.000 10 40 FCCB CC(=O)OC[C@@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4293794 NHNYHKRWHCWHAJ-HTVCTNPSSA-N 373.318 0.380 10 40 FCCB CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(C(=O)OC)N[C@H]2c1ccc(N(C)C)cc1 245229676 CXGCEDVXGMNZMU-YGTYGHESSA-N 359.426 0.950 10 40 FCCB COc1ccc(N2CCN(C=C3C(=O)N(C)C(=O)N(C)C3=O)CC2)cc1 6831050 ZOSNHZPLZYWFKZ-UHFFFAOYSA-N 358.398 0.752 10 40 FCCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC[C@H]3CCCO3)N(C)C)ccc21 22733846 PCESVYKZJCSVIT-SJLPKXTDSA-N 374.485 0.693 10 40 FCCB O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 95470954 ZQLUMHZVBQUYLF-UHFFFAOYSA-N 353.272 0.035 10 40 FCCB CN1C(=O)NC(=O)/C(=C\NN2C(=O)c3cccc4cccc(c34)C2=O)C1=O 408530566 JFQIZMGVPOLYKL-XYOKQWHBSA-N 364.317 0.533 10 40 FCCB Nc1ccc(CN(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 575421053 MQPUFGGVSVHMEJ-SFHVURJKSA-N 367.515 0.980 10 40 FCCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCOCC3)C2=O)cc1 100459853 ANSJFHNKIGZIAD-NTCAYCPXSA-N 358.398 0.384 10 40 FCCB COCCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)C(C(=O)OC)=C1C 408865000 BBGGZYGIQVXHQO-GDNBJRDFSA-N 374.393 0.870 10 40 FCCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NC(CO)(CO)CO 100693233 YCQNICMHPFPQRH-IZZDOVSWSA-N 362.411 0.208 10 40 FCCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/N[C@H]1C=CS(=O)(=O)C1 20623112 GBOAZDATRQVYKG-QVIVLVACSA-N 365.342 0.193 10 40 FCCB CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC 59419076 YCAKDQKZYOMXJM-UHFFFAOYSA-N 364.379 0.551 10 40 FCCB CCN(CC)c1cc2[nH]c(O)nc2cc1NC=C1C(=O)NC(=O)NC1=O 408531773 LODJCJJSDWVSCI-UHFFFAOYSA-N 358.358 0.777 10 40 FCCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c([N+](=O)[O-])cc1OC 408908338 BTVGVYNZLRSOJC-XBXARRHUSA-N 351.340 0.869 10 40 FCCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)NC(=O)N(C)C1=O 100755252 MNMMERKRJHAMMN-UQTJOTSZSA-N 370.365 0.434 10 40 FCCB biogenic CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245230093 LMTNFLKNDLPTEY-XTDOFWJNSA-N 359.426 0.950 10 40 FCCB OC[C@@H]1O[C@H](O)[C@H](Nc2c3ccccc3nc3ccccc23)[C@@H](O)[C@H]1O 247841761 FQKYLFKYEXZAGH-YYTXDEJISA-N 356.378 0.600 10 40 FCCB biogenic CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 20150364 LMTNFLKNDLPTEY-NRTGNBEESA-N 359.426 0.950 10 40 FCCB Cc1ccccc1N1C(=O)/C(=C/NCCN2CCOCC2)C(=O)NC1=S 19997786 SPILQTIEQOCKAG-WYMLVPIESA-N 374.466 0.548 10 40 FCCB Cn1ccc(/C=C2/SC(=S)N([C@@H](CCC(N)=O)C(=O)O)C2=O)c1 5374015 AYVHBPWULXZMSD-CMWXKVOJSA-N 353.425 0.945 10 40 FCCB Cn1cnc2c1[C@@H](C(=O)N1CCCCC1)CN(c1ccc3nncn3n1)C2 306123467 AOBUMSPSTXLDRN-ZDUSSCGKSA-N 366.429 0.974 10 40 FCCB COc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCOCC3)C2=O)cc1 19997081 WWWRCKXQWMDOBL-NTCAYCPXSA-N 374.397 0.084 10 40 FCCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N(C)C1=O 4182412 MAKUMALEEBBQPF-UHFFFAOYSA-N 374.353 0.865 10 40 FCCB CN1C(=O)/C(=C\c2ccc(C(=O)N[C@H](CO)C(=O)O)cc2)SC1=S 5374741 MMRLHULSRDSILT-VUUNSECVSA-N 366.420 0.693 10 40 FCCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(C)C3=O)ccc21 408534001 ULLGHEPMXUZACI-PKNBQFBNSA-N 357.370 0.847 10 40 FCCB COc1cc(/C=C2/SC(N3CCN(CCO)CC3)=NC2=O)ccc1O 13608800 DZWOUCAOXZWQNA-RVDMUPIBSA-N 363.439 0.981 10 40 FCCB CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 21887083 ZPEYDRZUYAILCO-GOSISDBHSA-N 374.485 0.695 10 40 FCCB COCCN1C(=O)/C(=C\Nc2cc(OC)cc(OC)c2)C(=O)NC1=S 9468820 DJVDCFBECRKUOG-LCYFTJDESA-N 365.411 0.889 10 40 FCCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/NCCN2CCNCC2)C1=O 19949087 QBRSOLDMMBVYRT-OWBHPGMISA-N 357.414 0.797 10 40 FCCB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420149 LMTNFLKNDLPTEY-QCUYGVNKSA-N 359.426 0.950 10 40 FCCB OC[C@@H]1O[C@H](O)[C@H](Nc2c3ccccc3nc3ccccc23)[C@H](O)[C@@H]1O 5685481 FQKYLFKYEXZAGH-DZRGKWQISA-N 356.378 0.600 10 40 FCCB biogenic O=C(O)CCC(=O)Nc1ccccc1NC=C1C(=O)NC(=S)NC1=O 16450458 SYURLXZBLJIGHF-UHFFFAOYSA-N 362.367 0.317 10 40 FCCB O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])cc(Br)c1O 408718006 AXLQWTNMCOGAPC-UHFFFAOYSA-N 372.156 0.977 10 40 FCCB COc1cccc([C@@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O 4581126 WNPOIOPYLLSBQR-OVSNFEJUSA-N 362.382 0.898 10 40 FCCB CCN1C(=O)[C@@H]2[C@@H](c3ccc(N(C)C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526734 CXGCEDVXGMNZMU-XTDOFWJNSA-N 359.426 0.950 10 40 FCCB Cc1ccc(N2C(=O)/C(=C/NCCN3CCNCC3)C(=O)NC2=S)cc1 19949985 UEYCCULRKDSWSL-NTCAYCPXSA-N 373.482 0.121 10 40 FCCB O=C1NC(=O)C(=Cc2cc(Br)cc([N+](=O)[O-])c2O)C(=O)N1 3205800 OSJYIXXNFQYEHV-UHFFFAOYSA-N 356.088 0.812 10 40 FCCB O=C1NC(=O)C(=Cc2ccc(O)c(I)c2)C(=O)N1 408963500 ODLWXPLBMGZJQE-UHFFFAOYSA-N 358.091 0.746 10 40 FCCB O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2S(=O)(=O)O 5553424 SROYVYGZVXMVOA-UHFFFAOYSA-N 368.344 0.955 10 40 FCCB NC(=O)CCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 102260889 KGRCOYZXKRVGLM-UHFFFAOYSA-N 374.422 0.393 10 40 FCCB CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22734125 JGMOFYVYQJWJES-QGZVFWFLSA-N 360.458 0.305 10 40 FCCB NC(=O)COc1ccccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 4599732 ZZKQWNGQJRTBQR-BJMVGYQFSA-N 352.393 0.837 10 40 FCCB CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(Cc3ccccc3O)CCN21 253394170 APDNLDSBRZZKAQ-HNNXBMFYSA-N 353.488 0.932 10 40 FCCB biogenic,in-vitro O=C(NCCO)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4333603 PZHCROFMYJIMCX-UHFFFAOYSA-N 354.362 0.588 10 40 FCCB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 20150361 LMTNFLKNDLPTEY-XLPNERPQSA-N 359.426 0.950 10 40 FCCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C(C)C)CC2)cc1 9570043 LWUVFYZUIFRDLO-UHFFFAOYSA-N 369.487 0.919 10 40 FCCB COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 4933203 CUKOHNUQVXLJMK-GXDHUFHOSA-N 359.382 0.897 10 40 FCCB COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1O[C@H](C)C(=O)O 409241583 OSSIMSBHCUZNIF-SECBINFHSA-N 362.338 0.981 10 40 FCCB COC(=O)[C@@H](Cc1ccc(O)cc1)NC=C1C(=O)N(C)C(=O)N(C)C1=O 20573744 SDFSTXYGJXUMQB-CYBMUJFWSA-N 361.354 0.000 10 40 FCCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/NCCN1CCOCC1 20023505 JRKXAIMGVLOUHS-WYMLVPIESA-N 350.419 0.203 10 40 FCCB CC[C@]1(C(=O)OC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245229721 DUEHFAXTXDYXTH-ZTENYAIWSA-N 359.426 0.950 10 40 FCCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCN3CCOCC3)C2=O)cc1 19994468 ANSJFHNKIGZIAD-QINSGFPZSA-N 358.398 0.384 10 40 FCCB COCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5340698 AGHOIVBUEMFPTL-QGZVFWFLSA-N 362.474 0.768 10 40 FCCB Nc1ccc(CN([C@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575422380 VJDMXTNBVMKJFO-GASCZTMLSA-N 358.485 0.445 10 40 FCCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)NC(=O)N(C)C1=O 100755253 MNMMERKRJHAMMN-FWLQQBITSA-N 370.365 0.434 10 40 FCCB biogenic C[N+](C)(C)CCN/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 6933113 SJVZSPBZBXSMIK-UHFFFAOYSA-O 363.413 0.626 10 40 FCCB O=C(O)c1c(CN2CCOCC2)c(O)c(O)c(O)c1CN1CCOCC1 1603614 ZMAVSUDFEZTXHG-UHFFFAOYSA-N 368.386 0.166 10 40 FCCB CN1C(=O)NC(=O)/C(=C\N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C1=O 20573175 JFBYVRPAWHIGTO-YKWSONSWSA-N 356.338 0.345 10 40 FCCB CCOC(=O)C(=[N+]=[N-])C(=O)c1ccc(C(=O)C(=[N+]=[N-])C(=O)OCC)cc1 5031130 IRBWZYAKMBUEIQ-UHFFFAOYSA-N 358.310 0.520 10 40 FCCB O=C1NC(=S)NC(=O)C1=CN[C@H](Cc1c[nH]c2ccccc12)C(=O)O 20588456 DIKNXIQNBAZULC-GFCCVEGCSA-N 358.379 0.168 10 40 FCCB CCNc1nc(NCC)n2c(SCC(=O)N3CCCO3)nnc2n1 96011795 NGSBYJVBCJNQIK-UHFFFAOYSA-N 352.424 0.639 10 40 FCCB [N-]=[N+]=N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)O[C@H](CO)[C@H](O)[C@@H]1O 258329732 BJMHBPGJICQXPT-RMPHRYRLSA-N 360.710 0.745 10 40 FCCB in-vitro CN1C(=O)C(=Cc2[nH]c3ccccc3c2CCNC=O)C(=O)N(C)C1=O 13842531 OOBJQRFBFHLCTK-UHFFFAOYSA-N 354.366 0.890 10 40 FCCB CC(=O)OC[C@H]1O[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)C(OC(C)=O)=C1OC(C)=O 1560403842 RLUJPLPTJIGYAW-LERXQTSPSA-N 371.302 0.854 10 40 FCCB COc1cccc(N2C(=O)NC(=O)/C(=C/NCCN3CCOCC3)C2=O)c1 19997173 XTQKYRDKBQEKBZ-QINSGFPZSA-N 374.397 0.084 10 40 FCCB CN1C(=O)/C(=C/N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)C(=O)NC1=S 20358722 QCMQWCNUTWQPTG-RUNBWSAHSA-N 372.406 0.510 10 40 FCCB O=C(O)CC[C@@H](N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)C(=O)O 20573742 WJEWJEIMIJJIPN-HIJJYWJESA-N 361.310 0.061 10 40 FCCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)N1CCCC1 6170125 OARNPDZBNVZTOF-UHFFFAOYSA-N 373.365 0.446 10 40 FCCB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 5678253 CAYRXGPXXSODJD-UHFFFAOYSA-N 367.342 0.745 10 40 FCCB COc1cccc(N2C(=O)NC(=O)/C(=C\NCCN3CCOCC3)C2=O)c1 100778296 XTQKYRDKBQEKBZ-NTCAYCPXSA-N 374.397 0.084 10 40 FCCB CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 21887086 ZPEYDRZUYAILCO-SFHVURJKSA-N 374.485 0.695 10 40 FCCB CCCCN1C(=O)/C(=C\NCCCN2CCOCC2)C(=O)N=C1S 102484279 QOFYADVGKNHHPB-SEYXRHQNSA-N 354.476 0.637 10 40 FCCB CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245230092 LMTNFLKNDLPTEY-NXEZDXNNSA-N 359.426 0.950 10 40 FCCB CN(C)c1ccc(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 58424273 GQCRJSZPMKBHNL-CQSZACIVSA-N 354.476 0.976 10 40 FCCB CCOC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 9570110 LDPNAGHNSYAFGF-UHFFFAOYSA-N 371.459 0.893 10 40 FCCB O=C1CC(=O)N(c2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)N1 6221787 VOVJRXDBYMDUHO-UHFFFAOYSA-N 373.348 0.359 10 40 FCCB COc1cccc([C@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O 13133100 WNPOIOPYLLSBQR-ZVZLLHMNSA-N 362.382 0.898 10 40 FCCB CCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589450 TXQNZJMGIHLVNA-KRWDZBQOSA-N 354.520 0.980 10 40 FCCB COc1ccc(CCN2C(=O)N=C(O)/C(=C\NCCO)C2=O)cc1OC 103118616 WIQNJWKEEDENOU-ZRDIBKRKSA-N 363.370 0.631 10 40 FCCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 876909 ACFPAGDMPKRJAC-RIYZIHGNSA-N 369.333 0.806 10 40 FCCB Nc1ccc(CN([C@H]2CCS(=O)(=O)C2)[C@H]2CCS(=O)(=O)C2)cc1 575422381 VJDMXTNBVMKJFO-GJZGRUSLSA-N 358.485 0.445 10 40 FCCB COc1ccc(N2CCN(C(=O)Cn3ncc4cccn4c3=O)CC2)cc1 12117320 NGSORVMKGCRJQS-UHFFFAOYSA-N 367.409 0.853 10 40 FCCB COc1cc([N+](=O)[O-])cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1O 59139689 HMMSXKLMNMGIMM-UHFFFAOYSA-N 351.340 0.908 10 40 FCCB COC(=O)c1ccc2nc(NC=C3C(=O)NC(=S)NC3=O)sc2c1 40476898 ULNJCLJQMZQKOW-UHFFFAOYSA-N 362.392 0.910 10 40 FCCB CCCCCCN1C(=O)NC(=O)/C(=C\NCCN2CCOCC2)C1=O 100795360 DILHFVXQXRVIGZ-BUHFOSPRSA-N 352.435 0.451 10 40 FCCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\NCCCN1CCOCC1 100642810 YBAJDEKMKDMERI-KAMYIIQDSA-N 362.386 0.054 10 40 FCCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NCCN2CCOCC2)C1=O 100764071 MNDHSHLBMIMXGH-WYMLVPIESA-N 358.398 0.384 10 40 FCCB COc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]32)c1O 13133101 WNPOIOPYLLSBQR-YFQWEKLQSA-N 362.382 0.898 10 40 FCCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCN3CCOC3=O)cc2)C1 55319088 IRKUXAMQUZEUHW-HNNXBMFYSA-N 374.441 0.847 10 40 FCCB CN1CCN(N/C=C2\C(=O)N=C(O)N(Cc3ccc(F)cc3)C2=O)CC1 20439483 BAVPSNHVLTVZKX-GXDHUFHOSA-N 361.377 0.244 10 40 FCCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\NN1CCOCC1 19949301 HISGZVONQRJJGD-XFXZXTDPSA-N 366.830 0.808 10 40 FCCB COc1ccc(N2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)cc1 98211233 LHBWOZRJBOBJPZ-UHFFFAOYSA-N 371.441 0.739 10 40 FCCB COc1cccc(N2C(=O)/C(=C/NCCCN(C)C)C(=O)NC2=S)c1 2304020 MXNUFOGWAYKXJX-SDNWHVSQSA-N 362.455 0.868 10 40 FCCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/N[C@@H](Cc1c[nH]cn1)C(=O)O 19830050 UXCCDSRAZZSBMO-RPHSKFLZSA-N 369.337 0.162 10 40 FCCB C[C@H]1COC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=O)NC1=O 59488771 INFYAUGMNZHFMH-AOOOYVTPSA-N 374.353 0.958 10 40 FCCB CO[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C(=O)C1(O)O 230518997 JMFTYICJUAYCAQ-MRXNPFEDSA-N 350.279 0.264 10 40 FCCB biogenic,in-vitro O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(I)c1 408961161 AZIYGWOXUMOBFW-UHFFFAOYSA-N 374.159 0.911 10 40 FCCB O=C1NC(=O)C(=CNc2nc3ccccc3nc2N2CCCC2)C(=O)N1 6585454 MPCOCFWGPWRMTC-UHFFFAOYSA-N 352.354 0.892 10 40 FCCB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc(O)c(O)c1 19325852 XKYPKXHJVACFCA-UHFFFAOYSA-N 364.358 0.798 10 40 FCCB COC(=O)c1cn(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 58027338 AUXYQZNWVBZTCQ-UHFFFAOYSA-N 359.386 0.422 10 40 FCCB CC[C@@H](C)N1C(=O)/C(=C\NCCCN2CCOCC2)C(=O)N=C1S 103089894 LTOAQTAJQIWMPI-NPRUJURCSA-N 354.476 0.635 10 40 FCCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCCCN1CCOCC1 19831070 YBAJDEKMKDMERI-SDNWHVSQSA-N 362.386 0.054 10 40 FCCB CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(O)c2)NC(=O)N[C@@]1(O)C(F)(F)F 2701373 ZISULMFSOPDJLP-CWSCBRNRSA-N 364.276 0.882 10 40 FCCB CC(CO)(CO)N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 100497816 ZQTGJSNQYXXWSM-WDZFZDKYSA-N 353.762 0.140 10 40 FCCB O=C1NC(=S)NC(=O)C1=Cc1ccc(SCCO)c([N+](=O)[O-])c1 32124889 ASMTZBMELCIDJV-UHFFFAOYSA-N 353.381 0.594 10 40 FCCB CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22594304 ZFFXFSMWKFYHGV-KRWDZBQOSA-N 361.490 0.293 10 40 FCCB CCN1C(=O)/C(=C/N2CCN(C(=O)c3ccco3)CC2)C(=O)NC1=S 96254758 GYIUMPUBGMCSLA-ZHACJKMWSA-N 362.411 0.185 10 40 FCCB OC[C@@H]1O[C@H](O)[C@@H](Nc2c3ccccc3nc3ccccc23)[C@H](O)[C@@H]1O 5685483 FQKYLFKYEXZAGH-UJCHZGTJSA-N 356.378 0.600 10 40 FCCB CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734453 UJGJUSNQLORDPI-GOSISDBHSA-N 373.501 0.220 10 40 FCCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/NCCN1CCOCC1 100781683 LUBHSASGXXGQIV-VAWYXSNFSA-N 362.361 0.214 10 40 FCCB Cn1cnnc1Sc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1[N+](=O)[O-] 59488518 JWEBYKIDQDHVJK-UHFFFAOYSA-N 374.338 0.624 10 40 FCCB CCOc1ccc(N2C(=O)/C(=C/NNCCO)C(O)=NC2=S)cc1 16975922 ZNZIKEBDGKCFGJ-FMIVXFBMSA-N 350.400 0.644 10 40 FCCB CN1CCN(N/C=C2\C(=O)N=C(O)N(c3ccccc3Cl)C2=O)CC1 18039603 FBGWWXLQDDYFFA-ZHACJKMWSA-N 363.805 0.763 10 40 FCCB CN(C)CCCN/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 100797951 IPVIDZYNWHDMHZ-NTCAYCPXSA-N 362.405 0.872 10 40 FCCB CC(C)N1C(=O)NC(=O)/C(=C/N[C@H](Cc2ccc(O)cc2)C(=O)O)C1=O 20572462 XRKUGQLOJKMHRW-LLBKUYECSA-N 361.354 0.348 10 40 FCCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCC(N)=O 408918631 MXNZTMIBMQQPOH-UXBLZVDNSA-N 363.395 0.206 10 40 FCCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\N[C@@H](Cc1c[nH]cn1)C(=O)O 101367201 UXCCDSRAZZSBMO-FSBNRTBOSA-N 369.337 0.162 10 40 FCCB CN(C)c1ccc(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 58424275 GQCRJSZPMKBHNL-AWEZNQCLSA-N 354.476 0.976 10 40 FCCB CN(C)CCN/C=C1\C(=O)NC(=S)N(Cc2ccc(F)cc2)C1=O 2590203 MUOJOBMIRTXASH-UKTHLTGXSA-N 350.419 0.604 10 40 FCCB OCCN(CCO)c1ccc(Cc2ccc(N(CCO)CCO)cc2)cc1 1601729 JZCMQCVWMJWYQV-UHFFFAOYSA-N 374.481 0.859 10 40 FCCB CCOc1ccc(N2C(=O)/C(=C/NCCN(C)C)C(=O)NC2=S)cc1 19362706 BOIYDELPYVPNAS-SDNWHVSQSA-N 362.455 0.868 10 40 FCCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\NCCN1CCOCC1 102532123 HAMFDWAAEAAOPC-OWBHPGMISA-N 360.439 0.651 10 40 FCCB CCCCCCN1C(=O)NC(=O)/C(=C/NCCCN2CCOCC2)C1=O 20291698 AUGWTLMQFPOXGE-PFONDFGASA-N 366.462 0.841 10 40 FCCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/N[C@@H]1C=CS(=O)(=O)C1 20623115 GBOAZDATRQVYKG-CEXMDJMXSA-N 365.342 0.193 10 40 FCCB COc1ccc(N2C(=O)N=C(O)/C(=C/NCCN3CCOCC3)C2=O)cc1 102615081 WWWRCKXQWMDOBL-QINSGFPZSA-N 374.397 0.924 10 40 FCCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1CC(=O)NC1=S 16958445 KOMIIJXHUFBEEB-DHZHZOJOSA-N 358.379 0.553 10 40 FCCB O=C1N=C(S)N(c2ccccc2F)C(=O)/C1=C/NN1CCOCC1 9332026 KNCGMBJHRAANDO-MDZDMXLPSA-N 350.375 0.705 10 40 FCCB Cc1nn2c([nH]c(=O)c3ccccc32)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 6383513 OYQMXCCLUIWJJJ-UHFFFAOYSA-N 365.349 0.918 10 40 FCCB CN1C(=O)/C(=C/NCCN2CCNCC2)C(=O)N(c2ccccc2)C1=S 101362378 JIBUADODHWWVGY-SQFISAMPSA-N 373.482 0.155 10 40 FCCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(C)C1=O 5753353 MNMMERKRJHAMMN-TZIYXEQSSA-N 370.365 0.434 10 40 FCCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)OC(C)C 5059702 HZYQSQLZDROZFP-UHFFFAOYSA-N 362.338 0.775 10 40 FCCB COc1ccc(CN2C(=O)N=C(O)/C(=C/NN3CCOCC3)C2=O)cc1 19995932 ZRFLSYFEJWZZKS-UVTDQMKNSA-N 360.370 0.835 10 40 FCCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 408911493 NOCLCAXUECFIBB-UXBLZVDNSA-N 364.379 0.504 10 40 FCCB Cn1c(=O)c(C2=NNC(=O)/C2=C\Nc2ncccn2)c(O)c2ccccc21 100261105 ZLUIGLYKZHBKBS-LUAWRHEFSA-N 362.349 0.864 10 40 FCCB CCc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCNCC3)C2=O)cc1 100765674 PETAWWGQELKDHG-DTQAZKPQSA-N 371.441 0.211 10 40 FCCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/NC3CC3)C2=O)cc1OC 5703478 NWMLFLXMATVHML-RAXLEYEMSA-N 359.382 0.961 10 40 FCCB CN1C(=O)/C(=C/NCCN2CCOCC2)C(=O)N(c2ccccc2)C1=S 101345822 DMXZKEGGOBKBJB-SQFISAMPSA-N 374.466 0.582 10 40 FCCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N(C)C1=S 59139226 HXDVKOSVKONYBI-UHFFFAOYSA-N 366.311 0.807 10 40 FCCB Cc1ccccc1N1C(=O)/C(=C\NCCN2CCOCC2)C(=O)N=C1S 102705245 SPILQTIEQOCKAG-OWBHPGMISA-N 374.466 0.960 10 40 FCCB O=C1N=C(O)/C(=C/NNCCO)C(=O)N1c1ccc(Br)cc1 38161273 JIUHRRJOQSDQCC-YFHOEESVSA-N 369.175 0.843 10 40 FCCB OC[C@@H]1O[C@H](O)[C@H](Nc2c3ccccc3nc3ccccc23)[C@@H](O)[C@@H]1O 5685482 FQKYLFKYEXZAGH-IJCBKZNRSA-N 356.378 0.600 10 40 FCCB biogenic COc1ccc(N2CCN(CCS(=O)(=O)CCC(N)=O)CC2)cc1 32652335 MKAMGRNMAIFXBB-UHFFFAOYSA-N 355.460 0.107 10 40 FCCB Cc1cccn2c(=O)c(C=C3C(=O)NC(=O)NC3=O)c(N3CCCC3)nc12 3176381 YGEOPUXALGORRW-UHFFFAOYSA-N 367.365 0.353 10 40 FCCB CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420146 LMTNFLKNDLPTEY-YGTYGHESSA-N 359.426 0.950 10 40 FCCB CCOc1ccc(N2C(=O)/C(=C\NNCCO)C(O)=NC2=S)cc1 38177877 ZNZIKEBDGKCFGJ-XFXZXTDPSA-N 350.400 0.644 10 40 FCCB NC1=NNC(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1 100789913 BPVQLIWDRZKNJN-HOBGCTPMSA-N 365.400 0.798 10 40 FCCB CCCCCCN1C(=O)NC(=O)/C(=C\NCCCN2CCOCC2)C1=O 101058448 AUGWTLMQFPOXGE-CCEZHUSRSA-N 366.462 0.841 10 40 FCCB O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1 4953822 QKANOIQXAUEIFT-UHFFFAOYSA-N 356.088 0.812 10 40 FCCB COCCNC(=O)CN(CC(=O)NCCOC)c1ccc(OC)cc1 40087576 VYFDXSWVAZLWTM-UHFFFAOYSA-N 353.419 0.027 10 40 FCCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\NN1CCOCC1 19994569 ZGCAMQVNVAXQDD-XFXZXTDPSA-N 350.375 0.294 10 40 FCCB CCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733889 YUIXFUMNLXCTFO-GOSISDBHSA-N 374.485 0.695 10 40 FCCB O=C(O)C[C@@H](CNC=C1C(=O)NC(=S)NC1=O)c1ccc(Cl)cc1 20592013 HQWLFEBRTUDUBO-VIFPVBQESA-N 367.814 0.903 10 40 FCCB O=C1NC(=S)N=C(O)/C1=C/NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16383433 PEMGDPVALVLWFE-UHFFFAOYSA-N 352.288 0.675 10 40 FCCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(C)C2=O)[nH]c2ccccc12 2147741 CIELECFUFDHMTQ-LCYFTJDESA-N 354.366 0.938 10 40 FCCB biogenic COC(=O)c1cc(C(=O)OC)c2c(n1)C(=O)C(=O)c1cc(C(=O)OC)[nH]c1-2 6482640 IYEWQFSKJDXIPI-UHFFFAOYSA-N 372.289 0.816 10 40 FCCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCN3CCOC3=O)cc2)C1 55319089 IRKUXAMQUZEUHW-OAHLLOKOSA-N 374.441 0.847 10 40 FCCB CCOC(=O)[C@H](C(=O)c1ccn(C)n1)C1(O)C(=O)c2ccccc2C1=O 20606716 KYHWXHBCUAKQRL-ZDUSSCGKSA-N 356.334 0.592 10 40 FCCB CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(O)c2)NC(=O)N[C@@]1(O)C(F)(F)F 106213377 ZISULMFSOPDJLP-KWBADKCTSA-N 364.276 0.882 10 40 FCCB CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O 19526735 CXGCEDVXGMNZMU-XMDUPGNXSA-N 359.426 0.950 10 40 FCCB NCCNc1ccc(NCCN)c2c1C(=O)c1c(O)ccc(O)c1C2=O 5117117 CLVFWRBVFBUDQU-UHFFFAOYSA-N 356.382 0.614 10 40 FCCB in-vitro NS(=O)(=O)c1ccc2c(c1)CCN2CCN1C(=O)c2ccccc2C1=O 27549280 KFAOOTWOBYWBHO-UHFFFAOYSA-N 371.418 0.993 10 40 FCCB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 48252906 OILXWZBLZPWKPL-ZDUSSCGKSA-N 370.409 0.651 10 40 FCCB COc1cccc([C@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O 4581128 WNPOIOPYLLSBQR-SJBDTSRBSA-N 362.382 0.898 10 40 FCCB CCS(=O)(=O)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 225959453 BTUBJOOSDHEWSJ-UHFFFAOYSA-N 355.460 0.625 10 40 FCCB CN1CCN(N/C=C2\C(=O)N=C(O)N(c3cccc(Cl)c3)C2=O)CC1 20325038 VUYDUYXYBXOXPP-JLHYYAGUSA-N 363.805 0.763 10 40 FCCB COCCN1[C@@H]2CN(Cc3ccccc3O)C[C@@H]2OCCS1(=O)=O 1534645875 OSNJNGHKYKEYKQ-ZBFHGGJFSA-N 356.444 0.253 10 40 FCCB CC(C)NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22734130 OOVRQYQKQVUXCB-GOSISDBHSA-N 374.485 0.693 10 40 FCCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/NCCCN1CCOCC1 20330558 DAVBPFLOVREREP-FYWRMAATSA-N 374.466 0.630 10 40 FCCB Cc1c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)n(-c2ccccc2)n1C 100785533 QGNZDUIKNGRYDT-UHFFFAOYSA-N 369.381 0.831 10 40 FCCB COc1c(C=C2C(=O)NC(=S)NC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408718353 TXTLQXXUWVSYOD-UHFFFAOYSA-N 352.284 0.426 10 40 FCCB Cc1c(N/C=C2\C(=O)NC(=S)N(C)C2=O)c(=O)n(-c2ccccc2)n1C 100774668 OWVBNHIXGZBGLJ-FMIVXFBMSA-N 371.422 0.653 10 40 FCCB COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1O[C@@H](C)C(=O)O 409248347 QAXAOYDJQXDGAI-ZETCQYMHSA-N 350.352 0.461 10 40 FCCB N=C(N)NN/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 6926380 UZPAECHZLFGQRQ-VMPITWQZSA-N 367.163 0.744 10 40 FCCB O=C(O)CCn1cc(C=C2C(=O)NC(=S)NC2=O)c(-c2ccccc2)n1 3214511 POGNHMHPEPYGAQ-UHFFFAOYSA-N 370.390 0.939 10 40 FCCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/NCCN1CCOCC1 100761866 ULSBSXZBQJAZEH-JQIJEIRASA-N 372.425 0.113 10 40 FCCB CN1C(=O)C(=CN2CCN(C(=O)c3ccco3)CC2)C(=O)N(C)C1=S 1016079 ZAAVBDYKJRDWJN-UHFFFAOYSA-N 362.411 0.137 10 40 FCCB COCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964061 PXHSVJRNOLCKKA-GOSISDBHSA-N 374.485 0.695 10 40 FCCB CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](C)(C(=O)OC)[C@@H]2C1=O 229994609 CXGCEDVXGMNZMU-XLPNERPQSA-N 359.426 0.950 10 40 FCCB CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)(C(=O)OC)N[C@H]2c1ccc(N(C)C)cc1 245229675 CXGCEDVXGMNZMU-QCUYGVNKSA-N 359.426 0.950 10 40 FCCB O=C1NC(=S)S/C1=C\c1c(NCCCO)nc2ccccn2c1=O 4193216 FTZINFSJGJVNTL-NTMALXAHSA-N 362.436 0.978 10 40 FCCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\NCCN1CCOCC1 103813045 JRKXAIMGVLOUHS-OWBHPGMISA-N 350.419 0.203 10 40 FCCB CN(C)CCCN/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 2365103 QIGRVNGHQLMYNG-JLHYYAGUSA-N 350.419 0.999 10 40 FCCB CCOc1cc([N+](=O)[O-])c(C=C2C(=O)NC(=S)NC2=O)cc1OC 96193617 VDAIFWKXSSJMEC-UHFFFAOYSA-N 351.340 0.916 10 40 FCCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NN1CCN(C)CC1 54254440 LBPJKWZBEIBUFB-JXAWBTAJSA-N 371.441 0.978 10 40 FCCB COc1cccc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1O[C@@H](C)C(=O)O 409249468 UFOLMYLGCUWDSP-VKHJRQFRSA-N 364.379 0.804 10 40 FCCB CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 5878651 NLCLVLYRCQHGII-UHFFFAOYSA-N 374.397 0.155 10 40 FCCB COC(=O)c1[nH]c2cccc(OC)c2c1NC=C1C(=O)NC(=S)NC1=O 9418345 QNPQEXMIHROQMD-UHFFFAOYSA-N 374.378 0.790 10 40 FCCB CN(C)CCCN/C=C1\C(=O)NC(=S)N(Cc2ccc(F)cc2)C1=O 2595214 VCEAOVFAGZGPRG-GXDHUFHOSA-N 364.446 0.994 10 40 FCCB CN1C(=O)/C(=C/N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C(=O)NC1=S 20358720 QCMQWCNUTWQPTG-YKWSONSWSA-N 372.406 0.510 10 40 FCCB CN(C)c1ccc(CNC(=O)c2cn(CC(=O)N3CCCC3)nn2)cc1 58006231 KFWMDUYHGGJUQP-UHFFFAOYSA-N 356.430 0.897 10 40 FCCB CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 231643427 LMTNFLKNDLPTEY-DEXNDLTESA-N 359.426 0.950 10 40 FCCB OC[C@H]1O[C@H](O)[C@H](Nc2c3ccccc3nc3ccccc23)[C@H](O)[C@@H]1O 105689379 FQKYLFKYEXZAGH-DBDQLMEASA-N 356.378 0.600 10 40 FCCB COc1ccc2c(c1)CCCN2CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 9910087 OUDXLVUNOIVUIX-UHFFFAOYSA-N 358.398 0.310 10 40 FCCB CCc1ccc(N2C(=O)NC(=O)/C(=C/NCCN3CCNCC3)C2=O)cc1 19371272 PETAWWGQELKDHG-SSZFMOIBSA-N 371.441 0.211 10 40 FCCB CC[C@@H](C)N1C(=O)/C(=C/NCCCN2CCOCC2)C(=O)NC1=S 20329418 LTOAQTAJQIWMPI-RVROTUBLSA-N 354.476 0.224 10 40 FCCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=S)NC1=O 101042371 HPJIZBKFIUHHME-ZDUSSCGKSA-N 372.406 0.256 10 40 FCCB COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1O[C@H](C)C(=O)O 409248346 QAXAOYDJQXDGAI-SSDOTTSWSA-N 350.352 0.461 10 40 FCCB COc1cc(/C=C2\SC(N3CCN(CCO)CC3)=NC2=O)ccc1O 19842777 DZWOUCAOXZWQNA-PTNGSMBKSA-N 363.439 0.981 10 40 FCCB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NC(=O)N=C2O)CC1 59488779 RYLJVSHZQAHKOH-UHFFFAOYSA-N 359.342 0.936 10 40 FCCB CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1O 408914505 YETGZVUVQLCKRA-WEVVVXLNSA-N 351.340 0.956 10 40 FCCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)NC(=O)NC1=O 101033070 LWMCAVDVOXGDKW-CYBMUJFWSA-N 356.338 0.092 10 40 FCCB Nc1ccc(NCCNCCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O 39471307 NBSLQRRHRCDIHJ-UHFFFAOYSA-N 357.366 0.449 10 40 FCCB in-vitro O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NN1CCOCC1 9361250 PXSZZEJXNPLINM-WYMLVPIESA-N 364.471 0.841 10 40 FCCB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 48252908 OILXWZBLZPWKPL-CYBMUJFWSA-N 370.409 0.651 10 40 FCCB Cn1cnc2c1[C@H](C(=O)N1CCCCC1)CN(c1ccc3nncn3n1)C2 306123466 AOBUMSPSTXLDRN-CYBMUJFWSA-N 366.429 0.974 10 40 FCCB Nc1ccc(CN(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 575421052 MQPUFGGVSVHMEJ-GOSISDBHSA-N 367.515 0.980 10 40 FCCB NC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O 409226802 VQYXIHLMDRTDFQ-UHFFFAOYSA-N 368.143 0.063 10 40 FCCB CN1CCN([C@H](CNC(=O)C(=O)NC2CC2)c2ccc(N(C)C)cc2)CC1 22594330 OZJNFJCOLNTBTC-GOSISDBHSA-N 373.501 0.436 10 40 FCCB COc1ccc(CN2C(=O)NC(=O)/C(=C/NCCCN(C)C)C2=O)cc1 1780364 UEXAOKSLULMCLW-PTNGSMBKSA-N 360.414 0.699 10 40 FCCB CC(=O)N1CCCN(C[C@@H]2OC[C@H](NCc3ccccc3O)[C@H]2O)CC1 514288418 DOMNJAYCCSHOQJ-YTQUADARSA-N 363.458 0.164 10 40 FCCB biogenic,in-vitro COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC2)cc1 225963169 ASEGBJQTMXWGLQ-UHFFFAOYSA-N 370.475 0.082 10 40 FCCB Cc1cccc(N2C(=O)NC(=O)/C(=C/NCCN3CCOCC3)C2=O)c1 102412127 GTFRIODOKQMPJJ-QINSGFPZSA-N 358.398 0.384 10 40 FCCB CN(C)S(=O)(=O)n1cc(/C=C2\C(=O)NC(=O)N=C2O)c2ccccc21 13692702 UYRQZPYSQUCYKV-UHFFFAOYSA-N 362.367 0.886 10 40 FCCB COC(=O)CC1=N[N@@H+](c2nc3ccccc3s2)C(=O)/C1=C(/C)NC#N 669632678 PQWAOATXVFCFPV-ZROIWOOFSA-O 356.387 0.617 10 40 FCCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc([N+](=O)[O-])c1O 4690715 APMGORHIDPSNMJ-UHFFFAOYSA-N 372.156 0.977 10 40 FCCB Nc1nc(N)c2nc(/N=N/c3ccc(N(CCO)CCO)cc3)[nH]c2n1 18044252 NMAZBYSHQHVVBE-GHVJWSGMSA-N 357.378 0.724 10 40 FCCB O=C1N=C(O)N(c2ccccc2Cl)C(=O)/C1=C\NN1CCOCC1 17139087 YYFXAQCUYLDBEC-KTKRTIGZSA-N 350.762 0.848 10 40 FCCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)O 8262080 BIMGELWPYHVGFE-VSBFRKNKSA-N 364.379 0.804 10 40 FCCB O=C(O)CNC(=O)CN/C=C1\SC(=S)N(Cc2ccco2)C1=O 618255178 QNDMLPBMEUNGRY-WTKPLQERSA-N 355.397 0.272 10 40 FCCB COCCN1C(=O)/C(=C\NC(=O)Nc2ccc(C)cc2)C(=O)NC1=S 102892689 ABFCRVSAAIGKJQ-XFXZXTDPSA-N 362.411 0.890 10 40 FCCB Cc1ccc(N2C(=O)/C(=C/NCC(=O)NCC(=O)O)SC2=S)cc1 618254741 HPIKINVURKBMHC-WDZFZDKYSA-N 365.436 0.992 10 40 FCCB CC(=O)OC[C@@H]1O[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 76935816 NHNYHKRWHCWHAJ-YHQUGGNUSA-N 373.318 0.380 10 40 FCCB COCC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1 604381212 FSXXSRPBFJAJLJ-MRXNPFEDSA-N 361.442 0.136 10 40 FCCB biogenic,in-vitro O=C(O)CNC(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 9423611 FZHOBHZEWIBFMB-UHFFFAOYSA-N 368.345 0.681 10 40 FCCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc[n+]([O-])cc3)CC2)cc1 5622159 FFEZGOHIEKEFBC-UHFFFAOYSA-N 371.393 0.834 10 40 FCCB CN1C(=O)/C(=C/c2c(NCCO)nc3ccccn3c2=O)SC1=S 2298410 PUKWZODZRWOYJH-NTMALXAHSA-N 362.436 0.930 10 40 FCCB CN1NC(C(=O)/N=N/C(=O)CN2C(=O)COc3ccccc32)=CC=C1O 9051699 SERHCYBWMPDOPC-ISLYRVAYSA-N 357.326 0.651 10 40 FCCB CCOC(=O)CC[C@@H](NC(=O)c1nc[nH]c1/N=N/N(C)C)C(=O)OCC 18081730 UWULJLFDMFZOLZ-QUSGQHSNSA-N 368.394 0.975 10 40 FCCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N(C)C1=O 2067697 MDNONBXNNHWVDE-UHFFFAOYSA-N 350.243 0.642 10 40 FCCB O=C1NC(=S)NC(=O)C1=CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 20588458 DIKNXIQNBAZULC-LBPRGKRZSA-N 358.379 0.168 10 40 FCCB COc1ccc(N2CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1 38488392 VZCKMZNOSSABGU-UHFFFAOYSA-N 358.398 0.272 10 40 FCCB CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 20150362 LMTNFLKNDLPTEY-XMDUPGNXSA-N 359.426 0.950 10 40 FCCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCO 17074507 FIXWKMURRZRLJP-GDNBJRDFSA-N 362.342 0.716 10 40 FCCB CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(O)c2)NC(=O)N[C@]1(O)C(F)(F)F 6439215 ZISULMFSOPDJLP-OUJBWJOFSA-N 364.276 0.882 10 40 FCCB COCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 13008562 KTBLVPRBVGUMBO-KRWDZBQOSA-N 362.474 0.551 10 40 FCCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc([N+](=O)[O-])c1O 408909585 HFWLYCUNMYSUHB-XBXARRHUSA-N 351.340 0.956 10 40 FCCB CN1CCc2cc([C@H](CNC(=O)C(=O)NC[C@H]3CCCO3)N(C)C)ccc21 22733843 PCESVYKZJCSVIT-AEFFLSMTSA-N 374.485 0.693 10 40 FCCB CN1CCN(N/C=C2\C(=O)N=C(O)N(CCc3ccccc3)C2=O)CC1 20327447 LOHUMFCDJYMTGW-FYWRMAATSA-N 357.414 0.148 10 40 FCCB C[C@H]1COC[C@H](C)N1c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=O)NC1=O 59488772 INFYAUGMNZHFMH-UWVGGRQHSA-N 374.353 0.958 10 40 FCCB NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br 409223633 HJHNYMVNKGCGRC-UHFFFAOYSA-N 368.143 0.063 10 40 FCCB CN1CCN([C@@H](CNC(=O)C(=O)NC2CC2)c2ccc(N(C)C)cc2)CC1 22594324 OZJNFJCOLNTBTC-SFHVURJKSA-N 373.501 0.436 10 40 FCCB CC[C@]1(C(=O)OC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19500729 DUEHFAXTXDYXTH-HRLGVUPISA-N 359.426 0.950 10 40 FCCB O=C(O)[C@H](CCCN1C(=O)CSC1=S)N1C(=O)CSC1=S 1772717766 VUBFAUJBWZJAPD-LURJTMIESA-N 364.495 0.940 10 40 FCCB CN1C(=O)C(=CNc2ccc(Cn3cncn3)cc2)C(=O)N(C)C1=S 9344270 MQQIQSDXIJQNHX-UHFFFAOYSA-N 356.411 0.838 10 40 FCCB CC[C@H](C)N1C(=O)/C(=C/NCCCN2CCOCC2)C(=O)NC1=S 20329423 LTOAQTAJQIWMPI-OWRWYXLESA-N 354.476 0.224 10 40 FCCB COc1ccc(N2C(=O)/C(=C/NCCCN(C)C)C(=O)NC2=S)cc1 2285233 CUAHTBURLUTWOR-SDNWHVSQSA-N 362.455 0.868 10 40 FCCB CC[C@]1(C(=O)OC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 229923590 DUEHFAXTXDYXTH-GPINWOSQSA-N 359.426 0.950 10 40 FCCB O=C(O)C[C@H](CNC=C1C(=O)NC(=O)NC1=O)c1ccc(Cl)cc1 20592331 CNFQIAJJBZMIIY-SECBINFHSA-N 351.746 0.738 10 40 FCCB O=C1N=C(O)/C(=C/NCCN2CCOCC2)C(=O)N1Cc1ccccc1 102488860 RSJZKOUHNXAVGE-QINSGFPZSA-N 358.398 0.911 10 40 FCCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/N(CCO)CCO 408536809 YFJQTWZOMQUXFQ-NTCAYCPXSA-N 369.377 0.593 10 40 FCCB CCCCCCN1C(=O)NC(=O)/C(=C/NCCN2CCNCC2)C1=O 19368021 OSXPBELEBDWIOK-YPKPFQOOSA-N 351.451 0.024 10 40 FCCB COC(=O)CCn1cc(C=C2C(=O)NC(=O)NC2=O)c(-c2ccccc2)n1 3214520 QAZQOYLAZWRTJP-UHFFFAOYSA-N 368.349 0.863 10 40 FCCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CC3)CC2)cc1 9570049 HRKZVOJKXHPIPU-UHFFFAOYSA-N 367.471 0.673 10 40 FCCB COc1ccc(N2C(=O)N=C(O)/C(=C/NN3CCN(C)CC3)C2=O)cc1 38163607 PSOFVMWZZKJJDM-KAMYIIQDSA-N 359.386 0.754 10 40 FCCB Nc1ccc(OC[C@@H](O)C[n+]2ccc(CCS(=O)(=O)O)cc2)cc1 3032817 YMGNHXSDRBUIQI-HNNXBMFYSA-O 353.420 0.427 10 40 FCCB COc1ccccc1N1CCN(C=C2C(=O)N(C)C(=O)N(C)C2=O)CC1 4335218 GOFKQQUSIXCAFT-UHFFFAOYSA-N 358.398 0.752 10 40 FCCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OC)c1OC(C)=O 708612 UXVDXJQOHARGIA-UHFFFAOYSA-N 350.352 0.543 10 40 FCCB CN1C(=O)/C(=C\c2ccc(C(=O)N[C@@H](CO)C(=O)O)cc2)SC1=S 5374740 MMRLHULSRDSILT-OTXQMUPVSA-N 366.420 0.693 10 40 FCCB CCCCN1C(=O)/C(=C/NCCCN2CCOCC2)C(=O)NC1=S 20289360 QOFYADVGKNHHPB-OUKQBFOZSA-N 354.476 0.226 10 40 FCCB CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22594309 ZFFXFSMWKFYHGV-QGZVFWFLSA-N 361.490 0.293 10 40 FCCB COCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5340703 AGHOIVBUEMFPTL-KRWDZBQOSA-N 362.474 0.768 10 40 FCCB CCN1C(=O)C(=CNc2cccc3c2C(=O)NC3=O)C(=O)N(CC)C1=S 6590079 ZBMNXHSUXMZTMD-UHFFFAOYSA-N 372.406 0.862 10 40 FCCB CN1C(=O)C(=CNc2ccccc2NC(=O)CCC(=O)O)C(=O)N(C)C1=O 20057772 RBTBCEQYZGHLOG-UHFFFAOYSA-N 374.353 0.836 10 40 FCCB CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734456 UJGJUSNQLORDPI-SFHVURJKSA-N 373.501 0.220 10 40 FCCB N=C(N)NN/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 38162511 UZPAECHZLFGQRQ-YVMONPNESA-N 367.163 0.744 10 40 FCCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCOCC3)C2=O)cc1C 101085789 CWEDUVSMHUCWSW-FOWTUZBSSA-N 372.425 0.692 10 40 FCCB O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c([C@@H](CO)CCO)c2O 6091284 ZLIRCPWCWHTYNP-SSDOTTSWSA-N 360.318 0.743 10 40 FCCB biogenic,in-vitro COC(=O)c1[nH]c2cccc(OC)c2c1NC=C1C(=O)NC(=O)NC1=O 9168457 CPONSWDAWTYNCN-UHFFFAOYSA-N 358.310 0.625 10 40 FCCB CN1C(=O)/C(=C\NCCN2CCOCC2)C(=O)N(c2ccccc2)C1=S 20025185 DMXZKEGGOBKBJB-FYWRMAATSA-N 374.466 0.582 10 40 FCCB C[C@@H]1COC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=O)NC1=O 59488773 INFYAUGMNZHFMH-NXEZZACHSA-N 374.353 0.958 10 40 FCCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)C(=N)N21 20206065 WTSPSYWDQOXKNX-FFHGDWALSA-N 366.380 0.719 10 40 FCCB COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)NC(=S)N(C)C1=O 6949660 RJSXKQSPXRNBKK-LCYFTJDESA-N 361.423 0.788 10 40 FCCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/NCCN1CCOCC1 20025700 HAMFDWAAEAAOPC-WYMLVPIESA-N 360.439 0.240 10 40 FCCB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1ccc(O)c(O)c1 104279780 XNSYTEQVOICYPE-OAHLLOKOSA-N 357.370 0.624 10 40 FCCB COc1ccc(N2CCN(C(=O)Cn3cc(C(=O)O)ccc3=O)CC2)cc1 98086525 UZJHVZDWJVOTJL-UHFFFAOYSA-N 371.393 0.904 10 40 FCCB Cc1cccc(N2C(=O)NC(=O)/C(=C\NCCN3CCOCC3)C2=O)c1 19949967 GTFRIODOKQMPJJ-NTCAYCPXSA-N 358.398 0.384 10 40 FCCB CCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589455 TXQNZJMGIHLVNA-QGZVFWFLSA-N 354.520 0.980 10 40 FCCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\NCCN1CCNCC1 102526616 YPMGCLPFHIRJRX-OWBHPGMISA-N 359.455 0.224 10 40 FCCB COc1ccc(N2CCN(C[C@@H](O)CN(C)CC(=O)N(C)C)CC2)cc1 95466757 YBVZYRZJCGMCEK-KRWDZBQOSA-N 364.490 0.198 10 40 FCCB CCCCCCN1C(=O)NC(=O)/C(=C\NCCN2CCNCC2)C1=O 100788329 OSXPBELEBDWIOK-BUHFOSPRSA-N 351.451 0.024 10 40 FCCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)O 4351356 XMJJSAGMVFAWLE-UHFFFAOYSA-N 362.338 0.983 10 40 FCCB COc1ccc(N2CCN(C(=O)CCN3CCC(C(N)=O)CC3)CC2)cc1 36394036 USJOMKZEBMHYFV-UHFFFAOYSA-N 374.485 0.931 10 40 FCCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)O 409044716 HMRSLXGFHNLLMP-UHFFFAOYSA-N 368.729 0.952 10 40 FCCB COc1ccc(N2CCN(C(=O)CN3CCNC(=O)C3(C)C)CC2)cc1 19658101 DELIYBMNUPSWSY-UHFFFAOYSA-N 360.458 0.554 10 40 FCCB COC(=O)Cc1cc(=O)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 9423168 KPDNLCMPYNLWDQ-UHFFFAOYSA-N 358.398 0.821 10 40 FCCB COC(=O)c1cc(NC=C2C(=O)NC(=S)NC2=O)cc(C(=O)OC)c1 16917292 JSPXQVYCVQSKMP-UHFFFAOYSA-N 363.351 0.087 10 40 FCCB O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCO)ccc(NCCO)c21 4771957 WHPNHQRWWMLKPJ-UHFFFAOYSA-N 358.350 0.682 10 40 FCCB O=C1NC(=O)C(=Cc2cc3c(cc2Br)OCCO3)C(=O)N1 12420732 CMULHHJKOAMMLE-UHFFFAOYSA-N 353.128 0.970 10 40 FCCB CCOC(=O)Cn1nnnc1CN1CCN(c2ccc(OC)cc2)CC1 19530570 ZETYPSDHYBTKLC-UHFFFAOYSA-N 360.418 0.567 10 40 FCCB COc1ccc(N2C(=O)/C(=C\NN3CCOCC3)C(=O)N=C2S)cc1 9046863 BUKHNJPMGRULLD-RAXLEYEMSA-N 362.411 0.575 10 40 FCCB O=C(O)CC[C@H](N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)C(=O)O 20573743 WJEWJEIMIJJIPN-IEHMKBBKSA-N 361.310 0.061 10 40 FCCB CC[C@H](C)N1C(=O)/C(=C\NCCCN2CCOCC2)C(=O)N=C1S 103089900 LTOAQTAJQIWMPI-KLDSGFLGSA-N 354.476 0.635 10 40 FCCB O=C1N=C(O)/C(=C\NNCCO)C(=O)N1c1ccc(Br)cc1 6926381 JIUHRRJOQSDQCC-JXMROGBWSA-N 369.175 0.843 10 40 FCCB Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(C(N)=O)n1 95985780 LQZCXIDTHHYALF-UHFFFAOYSA-N 355.398 0.810 10 40 FCCB O=C(O)C[C@@H](CNC=C1C(=O)NC(=O)NC1=O)c1ccc(Cl)cc1 20592329 CNFQIAJJBZMIIY-VIFPVBQESA-N 351.746 0.738 10 40 FCCB Cc1c(CC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)oc2c(O)c(O)ccc12 8764659 RSIHHODLQFZVEB-VIFPVBQESA-N 367.379 0.358 10 40 FCCB biogenic Nc1nc(N)c2nc(/N=N\c3ccc(N(CCO)CCO)cc3)[nH]c2n1 104373439 NMAZBYSHQHVVBE-FCQUAONHSA-N 357.378 0.724 10 40 FCCB COc1ccccc1N1C(=O)/C(=C/NCCCN(C)C)C(=O)NC1=S 19996292 QMJVBAGINOFRGG-VAWYXSNFSA-N 362.455 0.868 10 40 FCCB CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)NN=C1C 32010856 AAPBUIHECAPVMY-OHCYLCFFSA-N 372.475 0.894 10 40 FCCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCC(=O)O 59139502 UTQUGMPCFKNKDX-UHFFFAOYSA-N 364.379 0.757 10 40 FCCB CC(=O)OC[C@H]1O[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4293793 NHNYHKRWHCWHAJ-IKOXMDCHSA-N 373.318 0.380 10 40 FCCB Cc1c(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)oc2c(O)c(O)ccc12 8764658 RSIHHODLQFZVEB-SECBINFHSA-N 367.379 0.358 10 40 FCCB biogenic CC(C)N1C(=O)NC(=O)/C(=C/N[C@@H](Cc2ccc(O)cc2)C(=O)O)C1=O 20572461 XRKUGQLOJKMHRW-FSBNRTBOSA-N 361.354 0.348 10 40 FCCB CC1(C)OC(=O)C(=CNc2ccc(S(=O)(=O)NC(N)=O)cc2)C(=O)O1 101268478 ZPUSACUAJXLYQM-UHFFFAOYSA-N 369.355 0.176 10 40 FCCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC[C@@H]3CCCO3)N(C)C)ccc21 8963931 PCESVYKZJCSVIT-FUHWJXTLSA-N 374.485 0.693 10 40 FCCB CCc1ccc(N2C(=O)NC(=O)/C(=C/NCCN3CCOCC3)C2=O)cc1 20025750 KLZIDQSITBCXOB-SSZFMOIBSA-N 372.425 0.638 10 40 FCCB O=C(O)CNC(=O)CN/C=C1\SC(=S)N(c2ccccc2)C1=O 618255379 ZSJDDCQKWFHJLK-POHAHGRESA-N 351.409 0.683 10 40 FCCB COc1ccc(N2C(=O)/C(=C/NN3CCN(C)CC3)C(=O)N=C2O)cc1 20291704 PSOFVMWZZKJJDM-SDNWHVSQSA-N 359.386 0.118 10 40 FCCB O=C(CN1CCN(c2ncccn2)CC1)NCc1cc([N+](=O)[O-])ccc1O 24166952 RZATZEDQFJOCCP-UHFFFAOYSA-N 372.385 0.529 10 40 FCCB Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=O)NC1=O 59488633 FKHGVRBIKVODRC-UHFFFAOYSA-N 374.338 0.624 10 40 FCCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\NCCN1CCOCC1 19994654 ULSBSXZBQJAZEH-PEZBUJJGSA-N 372.425 0.113 10 40 FCCB CC[C@@]1(C(=O)OC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420232 DUEHFAXTXDYXTH-QCUYGVNKSA-N 359.426 0.950 10 40 FCCB CCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733892 YUIXFUMNLXCTFO-SFHVURJKSA-N 374.485 0.695 10 40 FCCB Nc1nonc1/N=N/N(CC(=O)NC1CCCCC1)c1nonc1N 59488299 AWDIVMNJYNYSOZ-LTGZKZEYSA-N 350.343 0.571 10 40 FCCB COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1O[C@@H](C)C(=O)O 409241584 OSSIMSBHCUZNIF-VIFPVBQESA-N 362.338 0.981 10 40 FCCB CN1C(=O)C(=CNc2ccc(S(=O)(=O)N(C)C)cc2)C(=O)N(C)C1=O 5689798 PREHESAXLZWXKA-UHFFFAOYSA-N 366.399 0.283 10 40 FCCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(O)c(O)c3)C(=O)N=C2S1 41077740 UQRMYJNFQROHRE-FFHGDWALSA-N 366.380 0.719 10 40 FCCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NC3CC3)C2=O)cc1OC 101035983 NWMLFLXMATVHML-JLHYYAGUSA-N 359.382 0.961 10 40 FCCB O=C1N=C(S)N(C2CCCCC2)C(=O)/C1=C\NCCN1CCOCC1 102484551 PLZKKYMZPVPGOK-OWBHPGMISA-N 366.487 0.779 10 40 FCCB CN1CCc2cc([C@H](CNC(=O)C(=O)NC[C@@H]3CCCO3)N(C)C)ccc21 8963932 PCESVYKZJCSVIT-WMZOPIPTSA-N 374.485 0.693 10 40 FCCB CN1NC(C(=O)/N=N/C(=O)c2csc(N3CCOCC3)n2)=CC=C1O 8733954 KCVWCSVLQZVEMY-WUKNDPDISA-N 364.387 0.832 10 40 FCCB Nc1ccc(OC[C@H](O)C[n+]2ccc(CCS(=O)(=O)O)cc2)cc1 3032814 YMGNHXSDRBUIQI-OAHLLOKOSA-O 353.420 0.427 10 40 FCCB CCc1cccc2c(/C=C3/C(=O)NC(=S)N(C)C3=O)cn(CC(N)=O)c12 409141681 BIPHWWXLNDKIJK-QPEQYQDCSA-N 370.434 0.946 10 40 FCCB OC[C@H]1O[C@@H](O)[C@H](Nc2c3ccccc3nc3ccccc23)[C@H](O)[C@@H]1O 105689376 FQKYLFKYEXZAGH-RXABAKJHSA-N 356.378 0.600 10 40 FCCB COCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964062 PXHSVJRNOLCKKA-SFHVURJKSA-N 374.485 0.695 10 40 FCCB COC(=O)CC1=N[N@@H+](c2nc3ccccc3s2)C(=O)/C1=C(\C)NC#N 669632677 PQWAOATXVFCFPV-NTEUORMPSA-O 356.387 0.617 10 40 FCCB CN1C(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)NC1=S 19995928 LGXGJXPGJHYTCZ-RVDMUPIBSA-N 358.467 0.998 10 40 FCCB COc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408718041 DWFCOBRUVLJOSL-UHFFFAOYSA-N 364.270 0.945 10 40 FCCB Cc1ccc(N2C(=O)/C(=C\NCCN3CCNCC3)C(=O)NC2=S)cc1 103837932 UEYCCULRKDSWSL-QINSGFPZSA-N 373.482 0.121 10 40 FCCB NC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl 409224999 NBHGMPNNPPCAFI-UHFFFAOYSA-N 358.137 0.607 10 40 FCCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCN3CCOCC3)C2=O)cc1C 19358816 CWEDUVSMHUCWSW-VBKFSLOCSA-N 372.425 0.692 10 40 FCCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)O 8220396 BIMGELWPYHVGFE-QMEHYBMDSA-N 364.379 0.804 10 40 FCCB CC[C@]1(C(=O)OC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 100420234 DUEHFAXTXDYXTH-YGTYGHESSA-N 359.426 0.950 10 40 FCCB Cc1cccc(N2C(=O)/C(=C/NCCN3CCNCC3)C(=O)NC2=S)c1 20024900 OFEVPIBEWWMVKX-NTCAYCPXSA-N 373.482 0.121 10 40 FCCB Cc1c(N/C=C2\C(=O)NC(=O)N(C)C2=O)c(=O)n(-c2ccccc2)n1C 100759985 PAHKLOFICQXLBK-FMIVXFBMSA-N 355.354 0.488 10 40 FCCB COc1ccc(N2CCN(C(=O)CN[C@H](C(N)=O)C(C)(C)C)CC2)cc1 72308966 VWDSPEUPAJPAOK-QGZVFWFLSA-N 362.474 0.833 10 40 FCCB COC(=O)Cn1c(C)c2c(cc1=O)N[N@@H+](c1nc3ccccc3s1)C2=O 669458704 FUJGAWCMCAOKJN-UHFFFAOYSA-O 371.398 0.637 10 40 FCCB Cn1ccc(/C=C2/SC(=S)N([C@H](CCC(N)=O)C(=O)O)C2=O)c1 5374018 AYVHBPWULXZMSD-ZFZMKPAXSA-N 353.425 0.945 10 40 FCCB CC(C)NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22734133 OOVRQYQKQVUXCB-SFHVURJKSA-N 374.485 0.693 10 40 FCCB COc1cc(N2N=C(C)/C(=C/NC(CO)(CO)CO)C2=O)ccc1Cl 408527277 DFAXPMJSCJEPMM-SDQBBNPISA-N 369.805 0.260 10 40 FCCB CN1CCN(c2ccc(CNC(=O)c3nc4ncccn4n3)cc2)CC1 36618790 UYFPKEFAGFCTQB-UHFFFAOYSA-N 351.414 0.806 10 40 FCCB COc1ccc(CN2C(=O)/C(=C/NN3CCOCC3)C(=O)N=C2O)cc1 17028063 ZRFLSYFEJWZZKS-GXDHUFHOSA-N 360.370 0.199 10 40 FCCB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C/NCCN1CCOCC1 19994893 PLZKKYMZPVPGOK-WYMLVPIESA-N 366.487 0.368 10 40 FCCB Nc1ccc(NS(=O)(=O)CS(=O)(=O)Nc2ccc(N)cc2)cc1 1703757 JWBUIOGFDPLZGH-UHFFFAOYSA-N 356.429 0.992 10 40 FCCB COc1ccc(N2C(=O)N=C(O)/C(=C/NCCN3CCNCC3)C2=O)cc1 19994573 LUQFCCTZEFMOFB-QINSGFPZSA-N 373.413 0.497 10 40 FCCB