smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(NC=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 2082929072 QRXFMRJHUBGTES-GFCCVEGCSA-N 383.857 2.050 10 50 GECA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 849747 PNVQUNVZMYRQHS-FEEIMYBTSA-N 385.416 2.325 10 50 GECA CC(=O)NN1C(=O)/C(=C\c2ccc(I)o2)SC1=S 4860746 XHCCWBOSPWOHTC-QPJJXVBHSA-N 394.215 2.137 10 50 GECA Nc1ccc(CC(=O)N2CCN(C(=O)c3cnc4ccsc4c3)CC2)cc1 2325745352 BRCBJYZFUCSCGH-UHFFFAOYSA-N 380.473 2.406 10 50 GECA COc1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1O 19336397 LLKDGSMJQFDXDH-FQEVSTJZSA-N 391.556 2.142 10 50 GECA O=C1N[C@H](c2ccccc2O)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4269822 OTFWNMJGGXWYHG-CKEIUWERSA-N 380.322 2.496 10 50 GECA CN1CCN(C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 26771435 LNHRXUKUEQIWEX-ACCUITESSA-N 381.548 2.113 10 50 GECA COc1ccc(C(=O)NC[C@H]2CCCS2(=O)=O)cc1-n1c(C)ccc1C 160519139 ZHIMWZUKBNYHLC-MRXNPFEDSA-N 376.478 2.410 10 50 GECA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc(C(=O)O)c1 4620810 AVYRDPYOLJTXHT-UHFFFAOYSA-N 397.456 2.391 10 50 GECA O=C1NC(=S)S/C1=C1\C(=O)Nc2ccc(I)cc21 1234215 GNNSMXAOXUFMTC-FPLPWBNLSA-N 388.211 2.102 10 50 GECA Cc1cc(O)n2ncc(C(=O)NC[C@H](c3ccccc3)C3CCNCC3)c2n1 2325795318 YSBHNBNZCRGJTJ-QGZVFWFLSA-N 379.464 2.257 10 50 GECA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c(O)c1 23550177 MHBUUPGUNAGPHY-GHXNOFRVSA-N 375.178 2.322 10 50 GECA O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2ccccc2O)C1=O 1737969 QCLNCSIFKRXMBP-YPKPFQOOSA-N 397.437 2.261 10 50 GECA CN1CCCc2cc(CNC(=O)C(=O)Nc3cnn([C@H]4CC4(F)F)c3)ccc21 2325771666 DFVUQIIARVHVTI-INIZCTEOSA-N 389.406 2.101 10 50 GECA CC(C)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br 2998897 YDBZDVDGHXOPTG-UHFFFAOYSA-N 383.267 2.398 10 50 GECA COc1ccc(N2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 13324556 RDXIPUNWMCIFLS-UHFFFAOYSA-N 383.477 2.461 10 50 GECA COc1cc(CN2CCN(Cc3ccccc3O)C[C@@H]2CCO)cc(OC)c1 19792524 AONVYRFBVPQKKX-IBGZPJMESA-N 386.492 2.478 10 50 GECA COc1cccc(CN2CCN(Cc3cccc(OC)c3O)C[C@H]2CCO)c1 104332370 RJJSBCMKOWOYIK-LJQANCHMSA-N 386.492 2.478 10 50 GECA COCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3C(=O)O)cc2C1=O 2862468 JBBFKDLKRSUAJV-UHFFFAOYSA-N 382.372 2.188 10 50 GECA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc(O)cn4)C3)CC2)cc1 72156479 FNEKYJOLEOHLOL-SFHVURJKSA-N 396.491 2.223 10 50 GECA COC(=O)[C@]1(c2ccc(OC)cc2)CCN(C(=O)c2cc(O)c(O)cc2C)C1 2325804876 ZDUDMMXNXGCPGH-OAQYLSRUSA-N 385.416 2.372 10 50 GECA CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 2307041 BLCZJNDKQKVDMS-KAMYIIQDSA-N 398.385 2.104 10 50 GECA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 4704501 NBTVPWWGWRBKHB-JYRVWZFOSA-N 397.343 2.366 10 50 GECA CCC(=O)N1CCC(CN/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)CC1 3878055 MXDXHNJVZFIBFV-AQTBWJFISA-N 399.451 2.439 10 50 GECA Cc1ccc(O)c(CN2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)c1 67805279 WGMWSOVKRMSJBN-NRFANRHFSA-N 380.448 2.043 10 50 GECA COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(O)c1 814181 WKSIXKKAFYNOSL-QGZVFWFLSA-N 397.387 2.151 10 50 GECA COc1ccccc1/C=C1/SC(=S)N(CCC(=O)N2CCOCC2)C1=O 1304763 GBNWLXMUPACOCC-NTCAYCPXSA-N 392.502 2.145 10 50 GECA CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 664404 RFICUENEKHNZCX-UHFFFAOYSA-N 379.390 2.158 10 50 GECA CCN(CC)CCN/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 1809792 HQMJYRGBZWDBQR-VKAVYKQESA-N 380.448 2.238 10 50 GECA COc1ccc(N2CCN(C(=O)c3cnc4scc(C)n4c3=O)CC2)cc1 16625454 GKGHMOBVQSKDJY-UHFFFAOYSA-N 384.461 2.035 10 50 GECA COC(=O)c1cn(-c2ccc(O)c(CN3CCCCC3)c2)cc2c(=O)[nH]nc1-2 253402459 GKFYGWJMTAZJGB-UHFFFAOYSA-N 382.420 2.144 10 50 GECA COc1ccccc1-c1nn(-c2ccccc2)cc1C=C1C(=O)NC(=O)NC1=O 241466209 NVOIJOLJCPCJDA-UHFFFAOYSA-N 388.383 2.297 10 50 GECA CCOc1cccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)c1O 65453532 PQCAXIGNZNIYOY-UHFFFAOYSA-N 380.452 2.089 10 50 GECA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C)cc1 2987484 UAHZJFBZMDAEJO-UHFFFAOYSA-N 396.399 2.211 10 50 GECA CN(C)C(=O)c1ccc(C(=O)Nc2ccc(O)c(CN3CCOCC3)c2)cc1 2325748594 KPGGNPIFPQUUAQ-UHFFFAOYSA-N 383.448 2.179 10 50 GECA O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4472035 FOYGTYZIEKLYKP-DHDCSXOGSA-N 382.347 2.259 10 50 GECA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)o1 12412882 FNDTZAPFQFWNHX-JYRVWZFOSA-N 395.335 2.183 10 50 GECA Cc1ccc(-n2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)cn2)cc1 16225511 BFGMCYNTTOFYKI-MFOYZWKCSA-N 376.372 2.436 10 50 GECA COc1ccc(N2CC3(CN(C(=O)c4ccccc4N4CCOCC4)C3)C2)cc1 2100483683 KJLQWNKDGCOGHE-UHFFFAOYSA-N 393.487 2.494 10 50 GECA CC(C)NC(=O)CN1CCN(c2cccc3c2C(=O)c2ccccc2C3=O)CC1 55220027 BPHNXXPSTQAWTG-UHFFFAOYSA-N 391.471 2.109 10 50 GECA O=C(O)CN1C(=O)/C(=C/c2ccc(I)o2)SC1=S 2931957 HRCBSCHZOIVEAV-UTCJRWHESA-N 395.199 2.170 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 3015103 PAYWGPVTPZBBDA-UHFFFAOYSA-N 390.490 2.211 10 50 GECA COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1ccc(C)cc1 5102497 IPVKSPIPUYFTRS-UHFFFAOYSA-N 396.424 2.137 10 50 GECA COc1ccc(N2CCN(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 719708 ZMYQOCUQGBQAIG-SFHVURJKSA-N 387.436 2.165 10 50 GECA COc1ccc(OCCOc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1 2977211 NGWKBXAMWHAWEX-UHFFFAOYSA-N 398.440 2.067 10 50 GECA O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1COCC(=O)N1Cc1ccccc1 170645069 FQLIRTCIIXEUAE-HXUWFJFHSA-N 394.471 2.315 10 50 GECA CC1(C)C[C@H](O)C[C@@](C)(CN/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 6394365 YCMLVPUESZZWHL-JWBCGAGPSA-N 399.491 2.316 10 50 GECA COc1ccc(N2CCN(C[C@H](O)COc3ccccc3C(C)=O)CC2)cc1 20419122 DZYRHTUKXAOGFR-IBGZPJMESA-N 384.476 2.460 10 50 GECA COc1ccc(N2CCN(CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1 55562766 HPMBIQIRTTXXMK-UHFFFAOYSA-N 385.464 2.473 10 50 GECA COC(=O)c1c(NC(=O)[C@@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCC2 1893177 ZFPFRJOBSNFTKS-AWEZNQCLSA-N 399.472 2.268 10 50 GECA CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 13569635 IWYSGHMAFVVDAY-WLSWZUKCSA-N 388.383 2.235 10 50 GECA O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)Nc1ccccc1F 918778018 VQJRZIUZVRAFHX-UHFFFAOYSA-N 377.441 2.382 10 50 GECA O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1 4815026 RIKBSDKJZWWSCZ-GHXNOFRVSA-N 375.337 2.457 10 50 GECA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=O)c1 1155778 OUOLMNSJHNTLKQ-WJDWOHSUSA-N 395.415 2.436 10 50 GECA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1 238162922 RYWRAYMHBRCGRO-MNEFBYGVSA-N 375.488 2.324 10 50 GECA CCOc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC 225489866 HUBNTRLJXULROB-INIZCTEOSA-N 393.440 2.220 10 50 GECA CCCNS(=O)(=O)c1ccc(/C=C/C(=O)NCCc2ccc(N)cc2)cc1 236867478 TVISWZGDDSJJKR-KPKJPENVSA-N 387.505 2.329 10 50 GECA O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)O)c1 20254922 OKUPDWMROSDLKJ-KPKJPENVSA-N 389.751 2.206 10 50 GECA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]2CCCC[C@H]2N1 269255247 RYWRAYMHBRCGRO-LZQZEXGQSA-N 375.488 2.324 10 50 GECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC)c3OC)C2=O)c1 5043769 CUEQPNULXJWKDD-GDNBJRDFSA-N 382.372 2.379 10 50 GECA CC1(C)C[C@@H](O)C[C@@](C)(CN/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 6394399 YCMLVPUESZZWHL-GXQWKOOFSA-N 399.491 2.316 10 50 GECA COC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc2c1CC[C@@H](C)C2 8686048 AMTJCNRDHQNAFD-GMSGAONNSA-N 381.479 2.154 10 50 GECA COc1ccc(NC=C2C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 1857666704 CNTCWQXGEZAJLX-UHFFFAOYSA-N 397.387 2.291 10 50 GECA O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/Nc1ccc(N2CCOCC2)cc1 6615232 NPUQUPLEKZQTRR-NBVRZTHBSA-N 398.463 2.230 10 50 GECA O=C1CCC2(CCN(C(=O)c3cccc(O)c3O)CC2)CN1C[C@H]1CCCO1 91782440 WTGXPEHUQQZDEE-OAHLLOKOSA-N 388.464 2.122 10 50 GECA Cc1nc(-c2ccccn2)cc(=NCc2ccc(N3CCNC(=O)C3)cc2C)[nH]1 1875255414 YCDBAWDMCIDMLK-UHFFFAOYSA-N 388.475 2.126 10 50 GECA CCOc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10113385 STSLDLXKNVLSEM-UHFFFAOYSA-N 376.478 2.400 10 50 GECA COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c1O 13892675 UURQDOCRRKLJNP-NVNXTCNLSA-N 383.360 2.387 10 50 GECA O=C1NC(=O)C(=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)C(=O)N1 1118719 PXWFVZUXWKYOKJ-UHFFFAOYSA-N 388.738 2.448 10 50 GECA COC(=O)[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1O 170600546 MZGULKQEYSILJJ-MRXNPFEDSA-N 387.417 2.467 10 50 GECA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 849749 PNVQUNVZMYRQHS-FDIDWWNZSA-N 385.416 2.325 10 50 GECA COC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc2c1CC[C@H](C)C2 13153519 AMTJCNRDHQNAFD-OIBJUYFYSA-N 381.479 2.154 10 50 GECA O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccco1 824604 ICXSQLMTZJHQAZ-WQLSENKSSA-N 380.141 2.346 10 50 GECA COc1ccc(N2CC3(CN(C(=O)C[C@H]4NC(=O)c5ccccc54)C3)C2)cc1 2356140135 VRNDUQRPJXUJTN-LJQANCHMSA-N 377.444 2.219 10 50 GECA O=C1N=C(O)/C(=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)C(=O)N1 1233129 CSFKYQLOKWGOPW-UHFFFAOYSA-N 381.300 2.404 10 50 GECA COc1ccc(N2CCN([C@H]3CCCN(CC(=O)N(C)C(C)C)C3)CC2)cc1 72171453 WRHIDDKNGIQZNT-FQEVSTJZSA-N 388.556 2.148 10 50 GECA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cc(OC)ccc3O)C2)nn1 15002442 VYBHWFHSDMWINL-INIZCTEOSA-N 387.484 2.311 10 50 GECA CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3cccs3)C2=O)cc1 3003949 WWZWEHNOYFRDLT-GDNBJRDFSA-N 399.428 2.499 10 50 GECA C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCC2)cc1 65363980 DYPGGUYNMBZZIK-NVXWUHKLSA-N 379.526 2.136 10 50 GECA COc1ccc(C(=O)NC[C@@H]2CCCS2(=O)=O)cc1-n1c(C)ccc1C 160519022 ZHIMWZUKBNYHLC-INIZCTEOSA-N 376.478 2.410 10 50 GECA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ccc4c(c3)CCN4C)C2)ccn1 886041365 KSCGNMXKMWBRKL-OAQYLSRUSA-N 380.492 2.363 10 50 GECA CC1(C)C[C@H](O)C[C@@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)C1 22589723 HSDVFJXZMRQENV-QTOVYKFTSA-N 385.464 2.320 10 50 GECA COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3C=O)CC2)cc1 4856107 CJUOJWOTOIMYME-UHFFFAOYSA-N 378.432 2.151 10 50 GECA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ncccc4O)C3)CC2)cc1 72169325 TXYVNDRVACIGBT-SFHVURJKSA-N 396.491 2.223 10 50 GECA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1Cl 2857631 QDXWGXGBZRTXDF-UHFFFAOYSA-N 399.808 2.421 10 50 GECA Cc1cc(O)n2ncc(C(=O)NC[C@@H](c3ccccc3)C3CCNCC3)c2n1 2325795317 YSBHNBNZCRGJTJ-KRWDZBQOSA-N 379.464 2.257 10 50 GECA Cc1ccc(O)c(CN2CCC([C@@]3(c4ccccn4)NC(=O)NC3=O)CC2)c1 67934719 ZXXLNHLSXLCZOB-NRFANRHFSA-N 380.448 2.043 10 50 GECA COc1ccc(N2CC3(CN(C(=O)CN4CCOc5ccccc5C4)C3)C2)cc1 2100544826 KWZFVSAMLWDKSA-UHFFFAOYSA-N 393.487 2.238 10 50 GECA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(OC)ccc3OC)C2=O)cc1 1066983 WCRQADSFHWNYFQ-GZTJUZNOSA-N 396.399 2.374 10 50 GECA COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 2892883 IEYSCFSSKQSULR-WJDWOHSUSA-N 383.429 2.448 10 50 GECA COC(=O)c1ccccc1N/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 2990352 MFCHIHFUTQAPDU-SDNWHVSQSA-N 381.413 2.217 10 50 GECA COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 16192701 KMJIUPXSIFLWHP-SDQBBNPISA-N 389.751 2.424 10 50 GECA CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 1175469 WYBCEWZBBBASBV-UHFFFAOYSA-N 394.431 2.486 10 50 GECA COc1ccc(NC=C2C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 2082929073 QRXFMRJHUBGTES-LBPRGKRZSA-N 383.857 2.050 10 50 GECA COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 13667735 FSZQEYOTZSTUFE-UHFFFAOYSA-N 376.478 2.319 10 50 GECA CN1CCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)cc3)cc2)CC1 72434168 JLHJCKVOWOQJNG-UHFFFAOYSA-N 394.519 2.205 10 50 GECA CCOc1cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC 225489894 HUBNTRLJXULROB-MRXNPFEDSA-N 393.440 2.220 10 50 GECA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 1066996 JTVBLQYVMYWICV-OVCLIPMQSA-N 380.356 2.086 10 50 GECA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1O 1174826 BARRCDBLZHTYCF-WUXMJOGZSA-N 388.763 2.426 10 50 GECA C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCC2)cc1 65363982 DYPGGUYNMBZZIK-WBVHZDCISA-N 379.526 2.136 10 50 GECA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)cc1O 13477232 DFMYIYQSNNHFFR-QPEQYQDCSA-N 375.178 2.322 10 50 GECA COc1ccc(N2CCN(CC(=O)Nc3cc(OC)ccc3OC)CC2)cc1 55562752 LQEGIYBOZQZSKI-UHFFFAOYSA-N 385.464 2.473 10 50 GECA COc1cccc(O)c1CN1CCN(C2CCN(C(C)C)CC2)[C@@H](CCO)C1 95498914 LCAJJOOJMVJUCN-IBGZPJMESA-N 391.556 2.142 10 50 GECA CCOc1cccc(CN2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c1O 14980763 UKVTYQXINCZZNT-UHFFFAOYSA-N 387.484 2.358 10 50 GECA COCCNC(=O)c1ccc(N2CCCN(c3ccc(OC)cc3)CC2)nc1 363127509 BCWACVYNRPJIAA-UHFFFAOYSA-N 384.480 2.183 10 50 GECA CN1CCN(c2ccc(CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 65362348 VSUKOWCQLZSCEK-UHFFFAOYSA-N 392.503 2.495 10 50 GECA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2975175 AQZRGGQBZPNMJB-UHFFFAOYSA-N 381.388 2.226 10 50 GECA CN(C)CCNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2678694 KFRIYRHTSZAUKK-SILNSSARSA-N 380.492 2.201 10 50 GECA CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 2979657 NSYJFLXHJKPPMK-RVDMUPIBSA-N 380.356 2.450 10 50 GECA CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S 2688845 QWAAJTMVZZFKAP-YPKPFQOOSA-N 376.459 2.489 10 50 GECA CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 12462455 NRMZMASPFDODEZ-ZSOIEALJSA-N 379.336 2.482 10 50 GECA COc1ccc(N2CCN([C@H]3CCCN(C(=O)C4(O)CCCC4)C3)CC2)cc1 72171345 XCFZUSHKCRXBLT-IBGZPJMESA-N 387.524 2.113 10 50 GECA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 5101803 CNTCWQXGEZAJLX-PTNGSMBKSA-N 397.387 2.291 10 50 GECA CCN1C(=O)S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C1=O 8763302 HVPDAMYBSPLVBG-RVDMUPIBSA-N 376.438 2.403 10 50 GECA CC(=O)O[C@H]1O[C@H](COC(=O)c2ccccc2C)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O 95921526 WLSQDUZXMHIZCA-ANQUJSFKSA-N 377.353 2.050 10 50 GECA COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1O 2810705 GZMMPGHCJOUBIP-RIYZIHGNSA-N 382.372 2.071 10 50 GECA O=S(=O)(c1cccc2nsnc12)N1CCN(c2ccccc2F)CC1 3015105 RMOLBXXHMHBMON-UHFFFAOYSA-N 378.454 2.341 10 50 GECA CCC[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1236232 PFVQMUISTIVVHL-IBPBOOLHSA-N 376.459 2.488 10 50 GECA CN(C)c1ccc(CN2CCN(CC(=O)Nc3cccc4nonc34)CC2)cc1 22752387 WZTCZDXZGRFYSI-UHFFFAOYSA-N 394.479 2.045 10 50 GECA CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 62223220 DXXUGJKZDNJJFC-SFHVURJKSA-N 393.553 2.355 10 50 GECA COc1ccc(N(C)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1F 121772392 KOMNJWJGPGODLW-UHFFFAOYSA-N 377.460 2.132 10 50 GECA CCN1C(=O)C(=CNc2ccc(Cl)c(C(=O)O)c2)C(=O)N(CC)C1=S 20254657 IZQTXGFQNPMRQX-UHFFFAOYSA-N 381.841 2.330 10 50 GECA COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N2CCCOC2=O)c(O)c1 252510719 ZOZFBRWLQCTJLZ-SFHVURJKSA-N 384.432 2.471 10 50 GECA CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 19720555 HOVJAXXECPOCKW-PEZBUJJGSA-N 389.546 2.442 10 50 GECA CCOc1ccccc1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 13619026 ONQRAXXNQSDLBC-CJAAZZPWSA-N 383.516 2.474 10 50 GECA Cn1ccc(NC(=O)NC[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)n1 362964383 KZIUIRGRTPMBBQ-GFCCVEGCSA-N 383.374 2.967 10 50 GECA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1Br 2082929068 GPWNEDUQSJIQFB-LLVKDONJSA-N 398.282 2.150 10 50 GECA COc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(OC)c1OC 49740635 PMJWKXWXTHYOGL-UHFFFAOYSA-N 399.491 2.394 10 50 GECA CN(C)c1ccc(CNC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760147 GHFKSXIPLQTGII-UHFFFAOYSA-N 393.491 2.147 10 50 GECA CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169712770 YLERWQOEHNKWDH-LHUKNYEISA-N 380.400 2.076 10 50 GECA COc1ccc(N2CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2(C)C)cc1 91906918 YXCDAARPWCOUQG-HNNXBMFYSA-N 378.494 2.071 10 50 GECA COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)NC2=S)cc1 5044076 NMWCLRVVXULFKV-WQLSENKSSA-N 389.414 2.496 10 50 GECA COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc(OC)c1OC 2934766 WCAHFSNHSNCRPZ-VQLBTBKJSA-N 383.447 2.387 10 50 GECA COc1c(Br)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 1136084 RPHYLSYWSSGEBP-UHFFFAOYSA-N 375.631 2.025 10 50 GECA Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O 3850740 QZZSAWGVHXXMID-UHFFFAOYSA-N 382.191 2.053 10 50 GECA biogenic,in-vitro CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 5023976 DCXAIKAWTRZKPA-DHDCSXOGSA-N 380.356 2.480 10 50 GECA COc1ccc(O)c(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1 19744474 JNYRKTGLJJWHPY-FQEVSTJZSA-N 391.556 2.142 10 50 GECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OC)C2=O)c1 5043808 RVQNFKFJIJQYKL-SXGWCWSVSA-N 382.372 2.379 10 50 GECA c1cc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)cc(-c2nn[nH]n2)c1 1506399463 NYCOTDUITJJDKN-UHFFFAOYSA-N 378.436 2.354 10 50 GECA Cc1cc(/C=C/C(=O)NCCNC(=O)c2cc[nH]n2)c(C)n1-c1ccccc1 1875258601 WYIJMOSUAUYRAI-CMDGGOBGSA-N 377.448 2.377 10 50 GECA Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@@H]2c1cc(O)c(C(N)=O)c(O)c1O 71769468 RWFFTVBPIJUYCW-GOSISDBHSA-N 397.339 2.035 10 50 GECA C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 274931676 NSBUCAPCFPFJTA-YOEHRIQHSA-N 383.448 2.092 10 50 GECA COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 1213998 DACLZVNBOMWKQD-ZROIWOOFSA-N 381.344 2.265 10 50 GECA Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 2833158 BBPBIXITAAXZSK-NTEUORMPSA-N 378.475 2.117 10 50 GECA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 15724050 JOCYSTJXGUZBOC-YBEGLDIGSA-N 386.389 2.048 10 50 GECA COc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1O 1194214 JHSDKYOJFXLYFH-XBXARRHUSA-N 393.227 2.494 10 50 GECA CN1CCN(C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 19791500 LNHRXUKUEQIWEX-QBFSEMIESA-N 381.548 2.113 10 50 GECA COc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c(O)c1 257372108 OEJFZIKVHJAODK-HXUWFJFHSA-N 391.556 2.142 10 50 GECA C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCC2)cc1 65363133 XPHHIEBRMIYIJO-HNNXBMFYSA-N 379.526 2.136 10 50 GECA COc1ccc(N2CCN(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1 792808 IRYLQIFMVQJOKN-HNNXBMFYSA-N 393.443 2.029 10 50 GECA CN1CCCc2cc(CNC(=O)C(=O)Nc3cnn([C@@H]4CC4(F)F)c3)ccc21 2325771667 DFVUQIIARVHVTI-MRXNPFEDSA-N 389.406 2.101 10 50 GECA COC(=O)[C@]1(C)N[C@H](c2cc(C)ccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 65461191 QAFOUDKXVQGUDT-OZQHCQBDSA-N 394.427 2.082 10 50 GECA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(OC)ccc3O)C2)CC1 19228100 HDLNZEATEOOLQL-KRWDZBQOSA-N 377.485 2.139 10 50 GECA CN(C)c1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1 140176200 ZAVNPYRWVCVZJS-UHFFFAOYSA-N 394.519 2.263 10 50 GECA COC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 55562006 XEHMNPHFQXZZBE-UHFFFAOYSA-N 383.448 2.243 10 50 GECA O=C1/C(=C\c2cccnc2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1 32593011 ZVDXPTCKXCWFOW-ATVHPVEESA-N 379.376 2.066 10 50 GECA COc1cccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c1O 12042657 PWSCMDLEAHQNTC-UHFFFAOYSA-N 387.484 2.215 10 50 GECA CC(=O)NCc1cc(O[C@H]2CCN(Cc3ccc4c(c3)CCN4C)C2)ccn1 886041359 KSCGNMXKMWBRKL-NRFANRHFSA-N 380.492 2.363 10 50 GECA CCN(CC)C(=O)c1cn(C2CCN(Cc3cccc(OC)c3O)CC2)nn1 12036448 OPMKQNDHKPFMEE-UHFFFAOYSA-N 387.484 2.311 10 50 GECA C[C@@H](NC(=O)c1cnc2nccnc2c1)c1ccc(N2CCN(C)CC2)cc1 2325735297 UJZMAYZHJYLLSY-OAHLLOKOSA-N 376.464 2.268 10 50 GECA COc1cccc(/C=C2\SC(=S)N(CCC(=O)OCCN(C)C)C2=O)c1 2901039 ARTZAUFDEKMFJC-QINSGFPZSA-N 394.518 2.391 10 50 GECA COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1134785 OZIKGFURSYKOOG-UHFFFAOYSA-N 393.443 2.030 10 50 GECA c1cnc(N2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)nc1 1506397292 PKHAVMLTZBUVER-UHFFFAOYSA-N 381.480 2.386 10 50 GECA COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)ccc3OC)C2=O)cc1 1192486 DHGMFNIFGZPLGY-LFIBNONCSA-N 382.372 2.379 10 50 GECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1C(=O)O 2959786 ORCGMXQRBUZCST-XNTDXEJSSA-N 380.356 2.368 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 4142056 RUSUXMAVNKQQGD-UHFFFAOYSA-N 377.422 2.114 10 50 GECA Cc1cc(Br)cc2c1N(C)C(=O)/C2=C1\SC(=S)N(N)C1=O 33315536 FLVJDLCVTBRZIT-NTMALXAHSA-N 384.280 2.179 10 50 GECA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(C)=O)cc3)CC2)cc1 20109654 QWXMMQRHDCIRJA-HXUWFJFHSA-N 384.476 2.460 10 50 GECA CCCCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC 2813127 VGFYZBJCTZJTBD-UHFFFAOYSA-N 397.225 2.386 10 50 GECA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)/C=C/c4c[nH]cn4)C3)CC2)cc1 53654588 KZICCXRTLBNJHV-CWFIWJMMSA-N 395.507 2.245 10 50 GECA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC)C2=O)cc1 1197356 NIYLZYCUNNTERQ-LICLKQGHSA-N 396.399 2.374 10 50 GECA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1ccc(O)c(O)c1 1857689338 NRNGYEWFHQJYNG-CQSZACIVSA-N 388.449 2.123 10 50 GECA COc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC 13603212 VZQURJHSKABJOG-ZEVOCZHWSA-N 399.515 2.092 10 50 GECA COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1O 1192824 TYMONKVOWFEOHY-RIYZIHGNSA-N 382.372 2.384 10 50 GECA C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3C[C@H]3C)cc2F)C[C@@H](C)O1 252678947 HXDRGCOXMJIFCR-IXYNUQLISA-N 378.444 2.255 10 50 GECA CCC[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1236234 PFVQMUISTIVVHL-LPJIALBHSA-N 376.459 2.488 10 50 GECA Cc1cc(C[C@H]2CN(C3CCN(c4ccc5c(c4)OCO5)CC3)C[C@@H]2O)on1 1616072767 CPZALJOATZAJON-KXBFYZLASA-N 385.464 2.216 10 50 GECA C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCC2)cc1 65363981 DYPGGUYNMBZZIK-RDJZCZTQSA-N 379.526 2.136 10 50 GECA NC(=O)COc1cccc(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)c1 20110062 LLSOZISZXBZEQY-OVCLIPMQSA-N 397.412 2.331 10 50 GECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)c(OC)c1 1233276 RTJXDAYCEHMURG-GXDHUFHOSA-N 382.372 2.379 10 50 GECA COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OC 16672019 GNWSWWRKADZGSQ-ZSOIEALJSA-N 383.360 2.382 10 50 GECA COc1cccc(CN2CCN(Cc3cccc(OC)c3O)C[C@@H]2CCO)c1 19839953 RJJSBCMKOWOYIK-IBGZPJMESA-N 386.492 2.478 10 50 GECA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc1 1209395 AKQWBWJMQJTQQM-NTCAYCPXSA-N 376.503 2.445 10 50 GECA Cc1c(CNc2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)n(C)c2ccccc12 1875398446 QJVJETXHMTXMKS-IAGOWNOFSA-N 394.523 2.390 10 50 GECA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 2082946033 RAYMJJDLDZNHET-ZDUSSCGKSA-N 387.383 2.406 10 50 GECA Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 4704213 RMMPIRGNYXPNQL-UHFFFAOYSA-N 387.779 2.195 10 50 GECA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2cccnc2)c1C 15011259 RPHKFDDJGVVVGK-SXGWCWSVSA-N 384.461 2.062 10 50 GECA O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 1216023 SUKIGNZYFFRPOG-ZDUSSCGKSA-N 394.383 2.412 10 50 GECA COc1ccc(N2CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2(C)C)cc1 91906915 YXCDAARPWCOUQG-OAHLLOKOSA-N 378.494 2.071 10 50 GECA CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(c3ccncc3)CC2)c1 277185038 BFGRJXQEICIBJG-UHFFFAOYSA-N 375.450 2.179 10 50 GECA COc1cccc(/C=C2/SC(=S)N(CCC(=O)N3CCOCC3)C2=O)c1 1213590 YCCVVHWQOQMUJW-NTCAYCPXSA-N 392.502 2.145 10 50 GECA COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3)CC2)cc1 6701471 SGJMWQRBWICUDS-UHFFFAOYSA-N 387.867 2.427 10 50 GECA COc1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c(O)c1 11881591 NNVHJQAHOMSYHP-KRWDZBQOSA-N 399.495 2.456 10 50 GECA COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1F 53696908 PROZUHFPHYXPSP-UHFFFAOYSA-N 380.441 2.149 10 50 GECA CN(C)c1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 3068884 GBOKMPWJGOKKRG-FYQHACEVSA-N 382.532 2.141 10 50 GECA COc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)cc1Cn1cccn1 12836994 PFYKAUJGFPXWOR-IBGZPJMESA-N 378.480 2.489 10 50 GECA CCN1C(=O)/C(=C2\SC(=S)N(N)C2=O)c2cc(Br)ccc21 15015471 GKWMSZAGRFJDKV-KTKRTIGZSA-N 384.280 2.261 10 50 GECA COc1cc(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1OC 1172760 DBVGSNYDAUDJTH-UHFFFAOYSA-N 399.266 2.065 10 50 GECA Cc1cccc(CN2CCn3nc(C(=O)NCc4ccccn4)cc3C2)c1O 65489998 OIJUMOQCVOMZSX-UHFFFAOYSA-N 377.448 2.238 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1073308 IVGQBBRKJKGBHW-UHFFFAOYSA-N 377.422 2.114 10 50 GECA O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 1185947 DEKJSIGDSVCDLM-UHFFFAOYSA-N 376.777 2.213 10 50 GECA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1ccc(O)c(O)c1 1857689335 NRNGYEWFHQJYNG-AWEZNQCLSA-N 388.449 2.123 10 50 GECA COc1cc(CN/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1 2892841 OAFJVHAORSPMAI-BOPFTXTBSA-N 399.378 2.099 10 50 GECA O=C(O)c1cc2n(n1)CCCN(C1CCN(c3ccc4c(c3)OCO4)CC1)C2 65458567 HRBOSGMUBYWIBS-UHFFFAOYSA-N 384.436 2.185 10 50 GECA COc1ccc(N2CCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CC2)cc1 16577866 ZTSZUHSZFPTWBC-UHFFFAOYSA-N 388.489 2.126 10 50 GECA COc1ccccc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 2833598 BURKUZPZHNQMRM-UHFFFAOYSA-N 390.490 2.211 10 50 GECA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1 2892691 ZUABFOYICMEVNK-UVTDQMKNSA-N 385.351 2.422 10 50 GECA COc1ccc(N2CCN([C@@H]3CCCN(CC(=O)N(C)C(C)C)C3)CC2)cc1 72171454 WRHIDDKNGIQZNT-HXUWFJFHSA-N 388.556 2.148 10 50 GECA CCOc1cccc(CN(C)CCn2cc(C(=O)N3CCCCC3)nn2)c1O 11910301 PNUAUFNNXKUEGR-UHFFFAOYSA-N 387.484 2.141 10 50 GECA CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O 1176835 YULGMBOTKJLTAQ-UHFFFAOYSA-N 399.266 2.152 10 50 GECA COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1 2892752 OVDNCZREAQPMGO-KAMYIIQDSA-N 383.429 2.448 10 50 GECA COc1ccc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 629003 OEQPYRLEJIMJQF-SFQUDFHCSA-N 378.457 2.440 10 50 GECA O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 5042816 IQBNFKKCWBFKIH-BOPFTXTBSA-N 399.362 2.292 10 50 GECA CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 10113551 ZTJRMJXCJCFTCD-UHFFFAOYSA-N 387.505 2.369 10 50 GECA CC(C)N1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H]1CCO 104625212 PZXGJDCODOHOAK-LJQANCHMSA-N 375.513 2.161 10 50 GECA Cn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc(N3CCOCC3)c(F)c2)cn1 328643060 RGZQVHNQFTZJEH-XLIONFOSSA-N 387.459 2.346 10 50 GECA COCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1C 2210927 JJWGGZPTYISWHD-PTNGSMBKSA-N 375.421 2.413 10 50 GECA O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1ccc(Br)cc1 1185920 QOQJXQZTTVFWMO-UHFFFAOYSA-N 376.235 2.154 10 50 GECA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(OC)cc3O)C2)nn1 15067589 MRNZIEOABVBZHS-MRXNPFEDSA-N 387.484 2.311 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1166151 XIWDDKGCDSRRGL-UHFFFAOYSA-N 377.422 2.114 10 50 GECA CCOc1ccccc1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 1836863 ONQRAXXNQSDLBC-IGVUGNCQSA-N 383.516 2.474 10 50 GECA CS(=O)(=O)Oc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 16192803 YOGKVKIOZMSVNT-UITAMQMPSA-N 394.293 2.276 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 10302058 SARQAPZBTVGQMY-UHFFFAOYSA-N 380.441 2.354 10 50 GECA Cc1ccc(N2NC(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1Cl 4498106 LZXVMDGCVGUYBH-ZSOIEALJSA-N 396.834 2.300 10 50 GECA COC(=O)c1ccsc1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 35884054 RDYAHSDASHVAKO-UHFFFAOYSA-N 389.477 2.304 10 50 GECA O=c1[nH]c(NCc2ccc(N3CCOCC3)cc2)nc2ccc([N+](=O)[O-])cc12 225818133 JPFOISNUNHDAAV-UHFFFAOYSA-N 381.392 2.280 10 50 GECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)c1 5043811 CFNHXKJEWNBCPZ-DHDCSXOGSA-N 382.372 2.379 10 50 GECA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 1176468 LZTFXJOEMAUKBH-UHFFFAOYSA-N 381.388 2.257 10 50 GECA COc1ccc(N2CCN(C[C@H](O)COc3ccc(NC(C)=O)cc3)CC2)cc1 19908848 AVEHSRXSVAXUJY-FQEVSTJZSA-N 399.491 2.216 10 50 GECA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 5061795 FQHXLKYJMQHOJW-ZROIWOOFSA-N 397.343 2.278 10 50 GECA OCCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1 22586634 IKFLRSVQSSENPO-UHFFFAOYSA-N 394.107 2.027 10 50 GECA CCSc1c(C(=O)NCC(=O)OC)ccc2c1C(=O)c1ccccc1C2=O 6668462 ZRBNGDNRCNMILH-UHFFFAOYSA-N 383.425 2.477 10 50 GECA Cn1cnc(CNC(=O)NC[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)n1 367226349 KLUMNODOTRHCPU-GFCCVEGCSA-N 398.389 2.039 10 50 GECA CCOC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc2c1CCCC2 5958247 LIWVOYWWTWAULV-SNVBAGLBSA-N 381.479 2.299 10 50 GECA C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)C1 72437211 YRMXKAHIEGLKPX-FUHWJXTLSA-N 393.553 2.211 10 50 GECA O=C1NCCNC12CCN(Cc1ccc(OCc3ccccc3)cc1O)CC2 67758211 ISUBWQMUMOWJCJ-UHFFFAOYSA-N 381.476 2.025 10 50 GECA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])c1 100640691 QRFXOWANQNEVSD-RAXLEYEMSA-N 382.332 2.182 10 50 GECA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OC(C)C 1185369 RZGCWXVIKKSBHV-UHFFFAOYSA-N 397.225 2.384 10 50 GECA COc1ccc(N2CCN(C(=O)CCNC(=O)c3ccc(C)cc3)CC2)cc1 6702618 NOMNTMYXFUUKCC-UHFFFAOYSA-N 381.476 2.472 10 50 GECA Cc1ccc(N2NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C 1216442 FYKUTQMGKSGWBF-MKMNVTDBSA-N 381.344 2.402 10 50 GECA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CCCC3)nc12 13774483 GFWBKRYVVIDFJE-RAXLEYEMSA-N 386.502 2.434 10 50 GECA COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 49740697 MBVKNRHNVYUHAW-UHFFFAOYSA-N 389.521 2.234 10 50 GECA Cn1cnc(C(=O)N2CCN(c3ccc(OCc4cscn4)cc3)CC2)c1 2325814095 SZQGKCGGEDXBJL-UHFFFAOYSA-N 383.477 2.418 10 50 GECA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1O 1225769 NUFDWCDIBRIVOG-XNTDXEJSSA-N 382.372 2.466 10 50 GECA Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)N=C2O)cc1 8739601 JBYCNZQIYIBATE-FOWTUZBSSA-N 381.388 2.295 10 50 GECA CN(C)c1cccc(NC(=O)c2cc(N)cc(S(=O)(=O)N3CCCC3)c2)c1 299801389 XPEHCFWBKPVEIT-UHFFFAOYSA-N 388.493 2.372 10 50 GECA C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 274931666 NSBUCAPCFPFJTA-PBHICJAKSA-N 383.448 2.092 10 50 GECA O=C(NCCN1CCN(c2ccc3c(c2)OCCO3)CC1)Nc1ccccc1 16488077 JAKKKSLLUYJMOC-UHFFFAOYSA-N 382.464 2.402 10 50 GECA O=C(O)CCN1C(=O)/C(=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)SC1=S 3959651 UKZPSSCBUIMLRD-ZHACJKMWSA-N 379.375 2.243 10 50 GECA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1235884 ICRQMQBVDGOOFY-KLDSGFLGSA-N 376.459 2.344 10 50 GECA in-vitro O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N1 2903580 ARTDKNOKUCUDET-UHFFFAOYSA-N 376.347 2.428 10 50 GECA O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1 13648008 ZKWFMBWSCRDWTM-UHFFFAOYSA-N 395.503 2.285 10 50 GECA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 1197351 JMMYRHOBBMFGBE-OQLLNIDSSA-N 382.372 2.071 10 50 GECA COc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1 6267760 TZXFZUFEWIBFFR-UHFFFAOYSA-N 378.435 2.471 10 50 GECA O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1ncccc1OCC(F)F 170676645 VAMOBWAFENDCDN-UHFFFAOYSA-N 394.397 2.204 10 50 GECA COc1cccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1O 12047745 RJYYZHNSGOWQEE-QGZVFWFLSA-N 399.495 2.456 10 50 GECA COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 208087609 SRXFPIJCISVZRP-LFYBBSHMSA-N 389.751 2.424 10 50 GECA COc1ccc(N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 4757021 GWUBIFVBXHSTJE-UHFFFAOYSA-N 389.477 2.029 10 50 GECA O=C1/C(=C/NN2CCOCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 4825539 OIASCIHEINGMIV-MDZDMXLPSA-N 397.382 2.282 10 50 GECA CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1 13551037 CDBZILCETOKHRH-UHFFFAOYSA-N 397.456 2.185 10 50 GECA C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCC2)cc1 65363979 DYPGGUYNMBZZIK-DOTOQJQBSA-N 379.526 2.136 10 50 GECA Cc1cc(C(=O)NCCS(=O)(=O)N2CCCC2)c(C)n1-c1ccccc1 215261839 YDZSUCCTMBSFJY-UHFFFAOYSA-N 375.494 2.250 10 50 GECA COc1ccc(N2CCN(C(=O)c3cnc4sc(C)c(C)n4c3=O)CC2)cc1 16626049 MEMSDAFWDVYNNZ-UHFFFAOYSA-N 398.488 2.344 10 50 GECA COc1cccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c1O 15067456 HZHMUOGGNVYXTA-KRWDZBQOSA-N 399.495 2.329 10 50 GECA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)O)c3)C2=O)cc1 5061435 UTYQNKLDCNFWCF-YBEGLDIGSA-N 380.356 2.125 10 50 GECA COc1ccc(N2CCN(C(=O)c3ccccc3NS(C)(=O)=O)CC2)cc1 4411668 AMZIGSULUHXLTF-UHFFFAOYSA-N 389.477 2.029 10 50 GECA COCCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)C(C(=O)OC)=C1C 4696412 XQCCSBHKKXTWAT-WJDWOHSUSA-N 375.421 2.413 10 50 GECA c1ncn(CCN2CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)CC2)n1 1506420481 FMDDAIXVADXLGI-UHFFFAOYSA-N 380.540 2.053 10 50 GECA O=C(NC1CC1)c1cn(C2CCN(Cc3cc(Cl)ccc3O)CC2)nn1 12078932 DAEQFAWPQKQVLU-UHFFFAOYSA-N 375.860 2.366 10 50 GECA COCCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)c1C 2994090 OJUHTQQLXGZFAA-WOJGMQOQSA-N 397.431 2.426 10 50 GECA COc1ccc(O)c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1 104318727 JNYRKTGLJJWHPY-HXUWFJFHSA-N 391.556 2.142 10 50 GECA COc1cccc(N2C(=O)/C(=C\Nc3ccc(C(=O)O)cc3)C(=O)NC2=S)c1 20235133 WPEYCWDARRYKMF-GDNBJRDFSA-N 397.412 2.137 10 50 GECA COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 4698949 CFZFQANAWNHSAN-PDGQHHTCSA-N 398.459 2.475 10 50 GECA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1O 15659266 VGHHHABWGWVWBW-ZSOIEALJSA-N 382.372 2.384 10 50 GECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 5009996 LORMZRZBNYUZJN-WJDWOHSUSA-N 396.399 2.342 10 50 GECA COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)C(=O)NC2=S)c1 1197559 VGABICFKNTVWTA-RIYZIHGNSA-N 384.413 2.241 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3OC)CC2)cc1 4412563 NMACNHBDSWRSJU-UHFFFAOYSA-N 380.441 2.354 10 50 GECA O[C@@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H]1Cc1ccccn1 1529121017 YBSACTWQLYOYRC-OXQOHEQNSA-N 381.476 2.315 10 50 GECA O=C1N[C@H](c2ccccc2O)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 170620753 OTFWNMJGGXWYHG-CPUCHLNUSA-N 380.322 2.496 10 50 GECA COc1cc([N+](=O)[O-])ccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 100637632 OGPRHIYGNAHNIX-RAXLEYEMSA-N 382.332 2.182 10 50 GECA CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 6196212 JJEWIXZZUYBPEQ-UHFFFAOYSA-N 393.490 2.485 10 50 GECA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c(O)c1 11881590 NNVHJQAHOMSYHP-QGZVFWFLSA-N 399.495 2.456 10 50 GECA CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1O 1180155 GVGQTIUFQAMFRB-UHFFFAOYSA-N 399.266 2.152 10 50 GECA Cc1cc2[nH]cc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)c(=O)n2n1 101788019 BNKCFYKFAJVFCO-AWEZNQCLSA-N 379.464 2.497 10 50 GECA COc1cccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1O 12047747 RJYYZHNSGOWQEE-KRWDZBQOSA-N 399.495 2.456 10 50 GECA CCC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)O 4610607 XBPWTKOMNMPTHD-HNNXBMFYSA-N 387.413 2.457 10 50 GECA COc1ccc(N2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2(C)C)cc1 218355895 FUCZPLTXDHLMTP-UHFFFAOYSA-N 382.512 2.377 10 50 GECA COc1ccc(O)c(CN2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)c1 12125868 NPZUQKIHPQXRIO-MRXNPFEDSA-N 387.484 2.215 10 50 GECA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C(=O)O 15219847 QDKNBSRLGWQXRW-UVTDQMKNSA-N 382.397 2.225 10 50 GECA O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 1153591 GUECJCAIFGYAEH-NBVRZTHBSA-N 383.448 2.318 10 50 GECA COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 1857666441 PCPXPBWRJFPNEW-UHFFFAOYSA-N 397.343 2.278 10 50 GECA COc1ccc(N2CC3(CN(C(=O)C[C@@H]4NC(=O)c5ccccc54)C3)C2)cc1 2356140134 VRNDUQRPJXUJTN-IBGZPJMESA-N 377.444 2.219 10 50 GECA CCC[C@@]1(CO)CN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC[C@@H]1O 2356141702 MFBJGYGJYNJNNT-SFTDATJTSA-N 376.497 2.230 10 50 GECA COc1cc(N2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)cc(OC)c1OC 4834179 JBCAUYLCWDHMCE-XFXZXTDPSA-N 388.401 2.440 10 50 GECA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 1155120 ZDSMLPSHNVQKPC-XMHGGMMESA-N 391.427 2.185 10 50 GECA COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1 980475 KVPPRNRAHFYFRI-UHFFFAOYSA-N 384.413 2.332 10 50 GECA CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 13570813 BRODSSWJIXKZBX-UHFFFAOYSA-N 381.388 2.020 10 50 GECA O=c1cc([C@H]2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)nc[nH]1 23543050 XMIKDRKGUXCGKC-HNNXBMFYSA-N 382.464 2.347 10 50 GECA COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OC)c1 2892672 XXRRITIBELLKEV-BENRWUELSA-N 385.351 2.422 10 50 GECA CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 252265597 NTAYQQFNWIOEMY-AYMMHLMVSA-N 394.427 2.071 10 50 GECA CCc1ccc(N2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1 16156181 RKYODDFKNSSQLL-DHDCSXOGSA-N 383.360 2.333 10 50 GECA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(N2CCOCC2)cc1 5593976 HFHNGSSBLYLGJI-NBVRZTHBSA-N 392.415 2.102 10 50 GECA CCc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(C)CC3)C2=O)cc1 15799448 FLXDEGKMIVIETR-VBKFSLOCSA-N 389.546 2.224 10 50 GECA CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 100149919 IWYSGHMAFVVDAY-QRYYFKOISA-N 388.383 2.235 10 50 GECA CN(C)c1cccc(N/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 2892742 VYFKUNAHIPZZMF-BOPFTXTBSA-N 382.395 2.466 10 50 GECA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(NC(C)=O)cc3)CC2)cc1 19908845 AVEHSRXSVAXUJY-HXUWFJFHSA-N 399.491 2.216 10 50 GECA COc1cccc(N/C=C2/C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)c1 2892738 AOIKSWPTCBTRCZ-PTNGSMBKSA-N 397.387 2.291 10 50 GECA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1O)CC2 11995424 BZZMYRUQVPITOA-CQSZACIVSA-N 381.436 2.126 10 50 GECA NC(=O)C1CCN(C2=NC(=O)/C(=C\c3c[nH]nc3-c3ccccc3)S2)CC1 3652382 UIEYNLQASMWMIK-XNTDXEJSSA-N 381.461 2.244 10 50 GECA C[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 65364695 YLPUDTJKWAPEKO-INIZCTEOSA-N 393.553 2.211 10 50 GECA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 4755049 YKKGJGVYVHILBJ-QPEQYQDCSA-N 396.355 2.099 10 50 GECA O=C(O)CCc1cc2n(n1)CCN(C1CCN(c3ccc4c(c3)OCO4)CC1)C2 72169975 HTTSOIIUFLPODT-UHFFFAOYSA-N 398.463 2.114 10 50 GECA COc1ccc(N2CCCN(C(=O)Nc3ccc(-n4nccn4)nc3)CC2)cc1 918038025 SVCADKILKNDHEA-UHFFFAOYSA-N 393.451 2.415 10 50 GECA COc1cccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1 2892664 VRLDHTBXWUVFPS-KAMYIIQDSA-N 383.429 2.448 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 4663082 VGVRLUXBDRSWOC-UHFFFAOYSA-N 391.449 2.423 10 50 GECA Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C(=O)N=C2O)cc1 17046008 XVHIIYOZOGMWPU-YBEGLDIGSA-N 380.356 2.329 10 50 GECA O=C1C(c2ccccc2)=S=C2N1C=CC1=S=C(c3ccccc3)C(=O)N12 334157907 IJQGTCCIIIUYCG-UHFFFAOYSA-N 376.462 2.323 10 50 GECA CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 67601891 KVCAXJPBXWKSBW-UHFFFAOYSA-N 393.553 2.355 10 50 GECA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C 16160969 GPKDRCXJYYHHRD-SXGWCWSVSA-N 390.399 2.381 10 50 GECA CC1(C)C[C@@H](O)C[C@](C)(CN/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 19535481 YCMLVPUESZZWHL-TVZRDBFASA-N 399.491 2.316 10 50 GECA C[C@@H](NC(=O)N(CC(=O)O)Cc1ccco1)c1ccc(N2CCOCC2)cc1 1875298697 KOCJDZPFIJKIEO-OAHLLOKOSA-N 387.436 2.474 10 50 GECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 4989688 PCPXPBWRJFPNEW-ZSOIEALJSA-N 397.343 2.278 10 50 GECA COCCn1c(C)cc(/C=C2/C(=O)NC(=S)N(Cc3ccco3)C2=O)c1C 2829086 UKOIXJSTXZAGQI-YBEGLDIGSA-N 387.461 2.171 10 50 GECA CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2C)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O 95921525 WLSQDUZXMHIZCA-KCYZZUKISA-N 377.353 2.050 10 50 GECA Cc1cc(C[C@@H]2CN(C3CCN(c4ccc5c(c4)OCO5)CC3)C[C@H]2O)on1 1529109528 CPZALJOATZAJON-DNVCBOLYSA-N 385.464 2.216 10 50 GECA COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)c1 4833561 MNZLBHNRJDGKIG-AUWJEWJLSA-N 398.371 2.084 10 50 GECA COc1ccc(N2CCN(CC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 55561911 NMWJXJSLUPGFET-UHFFFAOYSA-N 394.519 2.166 10 50 GECA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/NCc3ccccc3F)C2=O)c1 19608003 MXEFMZONPLTWMF-KAMYIIQDSA-N 399.378 2.099 10 50 GECA COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)cc1 1178148 SGBRCUDVNMXLRY-UHFFFAOYSA-N 388.383 2.297 10 50 GECA COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 95544941 IUUVTIJYRFHZFV-QGZVFWFLSA-N 387.436 2.165 10 50 GECA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 65361845 DXXUGJKZDNJJFC-GOSISDBHSA-N 393.553 2.355 10 50 GECA Cn1cnnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4628857 FSGGTYDHXYRTKD-UHFFFAOYSA-N 378.413 2.321 10 50 GECA COc1ccc(N2C(=O)/C(=C\Nc3cccc(OC)c3)C(=O)NC2=S)cc1 13590622 WAHXELJEHGODEE-WJDWOHSUSA-N 383.429 2.448 10 50 GECA COc1ccc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)cc1C 1875397072 JRUAPGCOAOWLKK-GOSISDBHSA-N 397.523 2.481 10 50 GECA COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(C)C 1156858 RPKVXGBLVJLQSD-UHFFFAOYSA-N 397.225 2.242 10 50 GECA Cc1cc(NS(=O)(=O)N(C)C)c(C)cc1NS(=O)(=O)c1ccccc1 851072 NPAHUVSSZJBMBL-UHFFFAOYSA-N 383.495 2.323 10 50 GECA COc1ccc(O)c(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1 12079140 IUXQDKIEIASSSG-QGZVFWFLSA-N 399.495 2.456 10 50 GECA COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)CC2)cc1 12381967 QCCMTQOWUSIIAB-LJQANCHMSA-N 385.464 2.391 10 50 GECA CCOC(=O)COc1ccc2ccccc2c1C=C1C(=O)N(C)C(=O)N(C)C1=O 12859888 VGHBDNWSQBSFCH-UHFFFAOYSA-N 396.399 2.216 10 50 GECA CN1C(=O)C(=Cc2cc(Br)c(Br)o2)C(=O)N(C)C1=O 2597289 SITVDHPKLVBROH-UHFFFAOYSA-N 392.003 2.238 10 50 GECA Fc1cc(CNc2cc(C(F)(F)F)nc3ncnn23)ccc1N1CCNCC1 2325752839 CDPYDWSILQWYSH-UHFFFAOYSA-N 395.364 2.304 10 50 GECA O[C@@H]1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@H]1Cc1cnccn1 1857715115 CCCQDJNSXGONMP-AUSIDOKSSA-N 378.520 2.470 10 50 GECA C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)C1 241081865 YRMXKAHIEGLKPX-AEFFLSMTSA-N 393.553 2.211 10 50 GECA CCOc1cc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O 16225197 VYXXDUZYWJYCGC-ZSOIEALJSA-N 383.360 2.469 10 50 GECA CCOC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)CC1 2710436 KGLATTHNTXFTRK-UHFFFAOYSA-N 383.253 2.162 10 50 GECA COc1ccc(N2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1 792809 IRYLQIFMVQJOKN-OAHLLOKOSA-N 393.443 2.029 10 50 GECA CN1CCN(CC(=O)N2N=C(c3ccccc3O)C[C@H]2c2cccs2)CC1 253428765 BGDDWZQHEWVCKS-KRWDZBQOSA-N 384.505 2.379 10 50 GECA CN(C)C(=O)C[C@H]1CN2C[C@H](n3ccnc3-c3ccc(N(C)C)cc3)C[C@H]2CO1 1857712209 MUWCSJCINGGLKO-AABGKKOBSA-N 397.523 2.109 10 50 GECA COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)NC2=S)cc1 4456509 HTWCYUCFLQNYEI-ZSOIEALJSA-N 382.397 2.255 10 50 GECA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC)C2=O)cc1 1192482 MZDYZVLIYFBLOE-MHWRWJLKSA-N 382.372 2.379 10 50 GECA C[C@H](NC(=O)c1cnc2nccnc2c1)c1ccc(N2CCN(C)CC2)cc1 2325735296 UJZMAYZHJYLLSY-HNNXBMFYSA-N 376.464 2.268 10 50 GECA COC(=O)[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1O 170600547 MZGULKQEYSILJJ-INIZCTEOSA-N 387.417 2.467 10 50 GECA COc1ccccc1/C=C1\SC(=S)N(CCC(=O)OCCN(C)C)C1=O 2229877 LQYDIXBLSXXIQT-QINSGFPZSA-N 394.518 2.391 10 50 GECA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 1197336 OCNZJRDFTZAXJQ-LDADJPATSA-N 379.416 2.423 10 50 GECA CC(=O)Oc1ccccc1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 2688647 YTOFLWGTXNGNFJ-ACLQVGRQSA-N 397.499 2.000 10 50 GECA COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(O)c1 814182 WKSIXKKAFYNOSL-KRWDZBQOSA-N 397.387 2.151 10 50 GECA COc1ccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)c(O)c1 14533652 SJFIQXXQLNBHGR-UHFFFAOYSA-N 375.469 2.285 10 50 GECA CN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N(C)C1=O 2972689 WHVLAOFNLATLMU-UHFFFAOYSA-N 394.383 2.398 10 50 GECA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCC1)c2NCCO 4193993 UTVVIDAQHAPKOL-UHFFFAOYSA-N 378.428 2.492 10 50 GECA CCOc1c(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 1171661 AFAIKXTVDHUKCU-UHFFFAOYSA-N 397.225 2.290 10 50 GECA COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(O)c3)C(=O)NC2=S)cc1 5044070 LQNGVRRSQDYDKR-ZROIWOOFSA-N 384.413 2.241 10 50 GECA COc1ccc(N2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)cc1 6661520 JQPFDHIUVCTPHN-UHFFFAOYSA-N 392.459 2.144 10 50 GECA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1ccc(C)cc1 1178209 SFMDADWLBKZFFY-UHFFFAOYSA-N 394.383 2.362 10 50 GECA COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(OC)c1OC 12504552 OJZNPCRNWONEBY-WQLSENKSSA-N 383.447 2.388 10 50 GECA Cc1nn(C)c(=O)c(-c2nc(CN3CCOc4cc(CN)ccc43)cs2)c1C 2325774190 MHJIMWOFZNPFMQ-UHFFFAOYSA-N 397.504 2.378 10 50 GECA COc1ccc(-c2ccc(/C=C3\C(=O)N(c4nnn[nH]4)N=C3C)o2)c([N+](=O)[O-])c1 12412886 TZPFZPCTXQXZPS-QPEQYQDCSA-N 395.335 2.183 10 50 GECA CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(C)C)(C(=O)O)N[C@H]2c1ccccc1O 245257194 WTQZZTGGLKXCSY-DLRJPAPCSA-N 388.464 2.307 10 50 GECA COc1ccc(N2CCN(c3cc(N)n(-c4ccc(C)cc4)c(=O)n3)CC2)cc1 1391992 ONBSIFXZTJNISO-UHFFFAOYSA-N 391.475 2.458 10 50 GECA C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)O 2982365 GYTHIIOYUQWYCM-PILJQMSFSA-N 380.356 2.205 10 50 GECA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CN2C(=O)CSC2=S)C1 12091153 XSPDZYDTGSKQBD-MRXNPFEDSA-N 391.562 2.012 10 50 GECA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 12376656 SBWULAPSFQRDMP-SDQBBNPISA-N 397.368 2.155 10 50 GECA COc1ccc(O)c(CN2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)c1 12125877 NPZUQKIHPQXRIO-INIZCTEOSA-N 387.484 2.215 10 50 GECA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc(O)cn4)C3)CC2)cc1 72156477 FNEKYJOLEOHLOL-GOSISDBHSA-N 396.491 2.223 10 50 GECA CC(=O)Nc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1 6196197 MJMINEQRVVTMDR-NTEUORMPSA-N 391.430 2.187 10 50 GECA O=S(=O)(c1ccc(NC(=S)NCc2ccccn2)cc1)N1CCCC1 17077059 AIVOXUOCOLXYPU-UHFFFAOYSA-N 376.507 2.353 10 50 GECA COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OS(C)(=O)=O 16192967 DQZWQQCYIUTRTL-UITAMQMPSA-N 379.868 2.176 10 50 GECA Cc1cc(O)n2ncc(C(=O)NCCc3nc(-c4ccc(Cl)cc4)no3)c2n1 1857531515 KPCKOGLEGNSTSJ-UHFFFAOYSA-N 398.810 2.419 10 50 GECA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(Br)c1 2082931967 VFKYIYPHAKFYBS-CYBMUJFWSA-N 398.282 2.150 10 50 GECA CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OC 1151577 ZWNRJDJACPVQSV-UHFFFAOYSA-N 397.225 2.290 10 50 GECA COc1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(C)c4)C3=O)CC2)cc1 19235109 XFYDKRJWJOYPOR-FQEVSTJZSA-N 379.460 2.458 10 50 GECA C[C@H](NC(=O)N(CC(=O)O)Cc1ccco1)c1ccc(N2CCOCC2)cc1 1875298696 KOCJDZPFIJKIEO-HNNXBMFYSA-N 387.436 2.474 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 909572 RANNSMVPRJINCO-UHFFFAOYSA-N 389.477 2.165 10 50 GECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 5009681 BSIQUDPVGHZZIX-WJDWOHSUSA-N 381.344 2.233 10 50 GECA CN(C)c1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 12414023 GBOKMPWJGOKKRG-GFAPJHNFSA-N 382.532 2.141 10 50 GECA C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 65364694 YLPUDTJKWAPEKO-MRXNPFEDSA-N 393.553 2.211 10 50 GECA CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-] 83253993 RGXALMUKZGZJKF-UHFFFAOYSA-N 391.465 2.112 10 50 GECA in-vitro CCOc1ccc(N2CN=c3s/c(=C\c4ccc(OC)cc4)c(=O)n3C2)cc1 1183504 MFKWSHZDCBCIDI-UNOMPAQXSA-N 395.484 2.201 10 50 GECA COc1ccc(N2CCN([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)CC2)cc1 18122931 HBEKVQIOLFSAQH-OAQYLSRUSA-N 393.487 2.187 10 50 GECA COc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1 65362145 ZVBOYKBWQGSZDR-UHFFFAOYSA-N 393.484 2.065 10 50 GECA CCOc1ccccc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 1164299 ONQRAXXNQSDLBC-ZMTLZGASSA-N 383.516 2.474 10 50 GECA CCOc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 49740716 SVJHCMIBYDNIKE-UHFFFAOYSA-N 389.521 2.316 10 50 GECA CCC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)O 4610608 XBPWTKOMNMPTHD-OAHLLOKOSA-N 387.413 2.457 10 50 GECA CN1C(=O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S 5525350 OPJPSQKLQCJNBS-MDWZMJQESA-N 380.472 2.425 10 50 GECA COc1ccc(N2CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)[C@@H](C)C2)cc1 72440488 KGURFOYBTMZREN-AWEZNQCLSA-N 384.480 2.065 10 50 GECA COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccc(OC)c2OC)C1=O 15659233 HBTIYMGKYMOGKE-QBFSEMIESA-N 382.372 2.379 10 50 GECA COc1ccc(N2CCC(N3CC[C@@H](Nc4ncccn4)[C@H](O)C3)CC2)cc1 299785509 STQCSGLSHNXUPL-WOJBJXKFSA-N 383.496 2.001 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 4688039 WUMZPPSCGGGOBZ-UHFFFAOYSA-N 377.422 2.114 10 50 GECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cccc(OC)c3O)C2=O)cc1 5009697 GLWOGKIZYURPSC-PTNGSMBKSA-N 382.372 2.039 10 50 GECA CCOC(=O)c1ccc(NC=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 5576617 USSRMLDEDIMBIQ-UHFFFAOYSA-N 375.450 2.155 10 50 GECA COc1ccc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)c1 722466 VPGKTZLIQGJFAW-KAMYIIQDSA-N 382.372 2.379 10 50 GECA COc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)cc1Cn1cccn1 12836991 PFYKAUJGFPXWOR-LJQANCHMSA-N 378.480 2.489 10 50 GECA CN1C(=O)C(=Cc2ccc(N(C)C)c(Br)c2)C(=O)N(C)C1=S 1176799 WPDULUNBSBDTLP-UHFFFAOYSA-N 382.283 2.114 10 50 GECA O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 1216021 SUKIGNZYFFRPOG-CYBMUJFWSA-N 394.383 2.412 10 50 GECA COc1ccc2c(c1)CCCCN2CC(=O)NCc1ccc(OCC(N)=O)cc1 170591227 AVEZSAQZRMOMHW-UHFFFAOYSA-N 397.475 2.018 10 50 GECA COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)N=C1O 17124034 XRACPSILLKEUDF-WQLSENKSSA-N 398.371 2.289 10 50 GECA O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 3641696 BEZOCJJRCCRLAY-XYHYMSPGSA-N 376.415 2.297 10 50 GECA COc1ccc(N2CCN(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 719709 ZMYQOCUQGBQAIG-GOSISDBHSA-N 387.436 2.165 10 50 GECA C[C@H](NC(=O)NCc1nc2cccnc2[nH]1)c1ccc(N2CCN(C)CC2)cc1 2325788914 SAAFIZDGDPGYAP-HNNXBMFYSA-N 393.495 2.270 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 811956 KOKXHQSKYSALMN-UHFFFAOYSA-N 392.477 2.223 10 50 GECA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CN2C(=O)CSC2=S)C1 12091157 XSPDZYDTGSKQBD-INIZCTEOSA-N 391.562 2.012 10 50 GECA CCS(=O)(=O)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506399461 NHGTZKDNQUYITQ-UHFFFAOYSA-N 377.554 2.111 10 50 GECA O=C(O)COc1ccccc1/C=C1/C(=O)N(c2ccc(O)cc2)C(=O)N=C1O 20149529 VFCBDWMCDHIOSP-NTEUORMPSA-N 382.328 2.362 10 50 GECA C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 274931672 NSBUCAPCFPFJTA-WMLDXEAASA-N 383.448 2.092 10 50 GECA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1201367 LNKBPFMLQZJSLD-UHFFFAOYSA-N 382.376 2.436 10 50 GECA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/NCc3ccc(F)cc3)C2=O)c1 5578248 FIRZUMQJVFLHRT-PTNGSMBKSA-N 399.378 2.099 10 50 GECA C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 274931669 NSBUCAPCFPFJTA-RHSMWYFYSA-N 383.448 2.092 10 50 GECA COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 334161292 YRTHVMKUSGISJQ-XNTDXEJSSA-N 397.343 2.278 10 50 GECA Cc1cc(Br)c2c(c1)/C(=C1/SC(=S)N(N)C1=O)C(=O)N2C 33315525 CFOYJOCEAXDAAC-NTMALXAHSA-N 384.280 2.179 10 50 GECA COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)c(OC)c1 1134428 RJKFPDVVZYCWIQ-OQLLNIDSSA-N 399.472 2.490 10 50 GECA Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)NC3=O)c(=O)n2c1 5815212 KDBRKTLIHXACDH-LCYFTJDESA-N 386.502 2.482 10 50 GECA CC1(C)C[C@@H](O)C[C@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)C1 22589730 HSDVFJXZMRQENV-JYYCZZOTSA-N 385.464 2.320 10 50 GECA COc1ccc(O)c(CN2CCC[C@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)c1 12121556 ASXYVFGPFWLIAO-INIZCTEOSA-N 399.495 2.141 10 50 GECA COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3C(C)=O)CC2)cc1 20419120 DZYRHTUKXAOGFR-LJQANCHMSA-N 384.476 2.460 10 50 GECA COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1F 67604699 YQKKCEGOZMKGBJ-UHFFFAOYSA-N 393.484 2.065 10 50 GECA [N-]=[N+]=NCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1772574321 FIAOTUUAWJBUBV-UHFFFAOYSA-N 384.349 2.275 10 50 GECA COc1ccc(N2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)cc1 14398679 WCBWPFOMWOBARJ-UHFFFAOYSA-N 381.476 2.494 10 50 GECA COc1ccc(N2CCN([C@H]3CCCN(C(=O)/C=C/c4c[nH]cn4)C3)CC2)cc1 53654591 KZICCXRTLBNJHV-ZTJJKMQJSA-N 395.507 2.245 10 50 GECA COC(=O)c1c(NC(=O)[C@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCC2 1893176 ZFPFRJOBSNFTKS-CQSZACIVSA-N 399.472 2.268 10 50 GECA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1O 1228633 DAHQAAXZCHEVRS-RAXLEYEMSA-N 382.372 2.466 10 50 GECA CC(C)[C@@H]1CN2C[C@@H](NC3CCN(c4ccc5c(c4)OCO5)CC3)C[C@H]2CO1 1857712019 DHKBODBXAMDDPY-JLMWRMLUSA-N 387.524 2.471 10 50 GECA O=C1N=C(N2CCOCC2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 16672822 KZWNOJIGMKUFAP-QXMHVHEDSA-N 394.250 2.074 10 50 GECA COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O 15723302 SHKBJYYOHJJVGL-AUWJEWJLSA-N 383.360 2.387 10 50 GECA CN1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 19338825 UIICMRMNONXVGY-QINSGFPZSA-N 393.509 2.191 10 50 GECA O[C@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H]1Cc1ccncc1 1857734194 NLJJZHZOOFLGOC-XLIONFOSSA-N 381.476 2.315 10 50 GECA CC1(C)C[C@@H](O)C[C@@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)C1 22589717 HSDVFJXZMRQENV-XZUPSWAGSA-N 385.464 2.320 10 50 GECA O=C(c1n[nH]c2ccccc2c1=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 117975612 RYRLXGXGNQDVIH-HNNXBMFYSA-N 379.416 2.450 10 50 GECA CN1CCN(C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 19301021 VLVAGNGDXMZSIX-SQFISAMPSA-N 375.519 2.052 10 50 GECA COc1cccc(CN2CCC[C@@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)c1O 11782233 AIIWOCKZWHMZAG-MRXNPFEDSA-N 399.495 2.141 10 50 GECA Nc1cc(S(=O)(=O)c2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O 3833120 ZOYGTKBVXJRWLG-UHFFFAOYSA-N 378.409 2.459 10 50 GECA COc1ccc(N2CCN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)CC2)cc1 13693766 UMAXAIBGCDXOML-UHFFFAOYSA-N 392.459 2.255 10 50 GECA CC(=O)O[C@H]1O[C@H](COC(=O)c2ccc(C)cc2)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O 71771950 LNDLSVCWKVEVIX-ANQUJSFKSA-N 377.353 2.050 10 50 GECA Cc1nnc(SCC(=O)NC(C)(C)C)n1NCc1ccc(N(C)C)cc1 679418 KNIMIHVTKUGTFF-UHFFFAOYSA-N 376.530 2.403 10 50 GECA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 1066991 GIGCPJMUNFBDRK-MHWRWJLKSA-N 396.399 2.374 10 50 GECA COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 15219849 GJOLGIMTAZPFKA-KPKJPENVSA-N 399.384 2.140 10 50 GECA Cn1cnc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)n1 367226350 KLUMNODOTRHCPU-LBPRGKRZSA-N 398.389 2.039 10 50 GECA Cc1ccccc1-n1c(C)cc(C(=O)NCCC2=NC(=O)[C@H](C)C(=O)N2)c1C 156732402 SCVXQCJCYYTSQC-UHFFFAOYSA-N 380.448 2.213 10 50 GECA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1O 9109660 YKKHOCXQOPLGJM-MDWZMJQESA-N 382.372 2.384 10 50 GECA COC(=O)[C@@]1(c2ccc(OC)cc2)CCN(C(=O)c2cc(O)c(O)cc2C)C1 2325804875 ZDUDMMXNXGCPGH-NRFANRHFSA-N 385.416 2.372 10 50 GECA CN(C)c1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1057696 GBOKMPWJGOKKRG-OZYJXZHSSA-N 382.532 2.141 10 50 GECA CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=N)NC2=O)sc2c1CCCC2 5958250 LIWVOYWWTWAULV-JTQLQIEISA-N 381.479 2.299 10 50 GECA COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc(OC)c1OC 2934770 WCAHFSNHSNCRPZ-HLPMDPMVSA-N 383.447 2.387 10 50 GECA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C 813996 GSIOEWIRVRVTKA-UHFFFAOYSA-N 379.390 2.076 10 50 GECA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)CCO)cc1 100503209 XIHYFPVCVBJPKE-UYRXBGFRSA-N 399.472 2.480 10 50 GECA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CN1C1Cc2ccccc2C1 23361665 QEPPMAPUCYTRNS-OFNKIYASSA-N 392.547 2.199 10 50 GECA COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(F)c3)C1=O)OCO2 14010847 ZTHMTWVDOFDVOM-ACAGNQJTSA-N 384.319 2.229 10 50 GECA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)C4(O)CCCC4)C3)CC2)cc1 72171344 XCFZUSHKCRXBLT-LJQANCHMSA-N 387.524 2.113 10 50 GECA COC(=O)[C@@]1(C)N[C@@H](c2cc(C)ccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 210260726 QAFOUDKXVQGUDT-ORGXJRBJSA-N 394.427 2.082 10 50 GECA CN1CCN(c2ccc(CNC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 67621400 VRFHHBXZYYXRCN-UHFFFAOYSA-N 381.476 2.416 10 50 GECA COc1cccc(CN2CCN(Cc3ccc(OC)cc3O)C[C@H]2CCO)c1 104401818 HVTJMRBHHXVNPZ-LJQANCHMSA-N 386.492 2.478 10 50 GECA COc1ccc(N2CCN(c3nc(NCCO)c4ccccc4n3)CC2)cc1 41150067 NQHJKHHTQPGCIW-UHFFFAOYSA-N 379.464 2.369 10 50 GECA COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 10113408 JQEUQZNVKGJOAX-UHFFFAOYSA-N 392.477 2.019 10 50 GECA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 1083634 WDLQTZVYIQIJDT-XNTDXEJSSA-N 382.372 2.466 10 50 GECA COc1ccc(N2CCC(N3CC[C@H](Nc4ncccn4)[C@@H](O)C3)CC2)cc1 1565514600 STQCSGLSHNXUPL-PMACEKPBSA-N 383.496 2.001 10 50 GECA CCOc1cc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1O 2082943356 ADITYYFLLLZPID-LLVKDONJSA-N 399.515 2.179 10 50 GECA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)CCO)cc1 100497234 XCDOFIHFTRMLGU-QGOAFFKASA-N 385.445 2.171 10 50 GECA COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)c(C)c1 1175635 JDVLZTDNDAHTBN-MHWRWJLKSA-N 395.415 2.281 10 50 GECA COc1ccc(N2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 95544940 IUUVTIJYRFHZFV-KRWDZBQOSA-N 387.436 2.165 10 50 GECA Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=S)NC2=O)o1 1191863 RLOSMVDZZYABKE-UHFFFAOYSA-N 378.413 2.355 10 50 GECA Cn1cnnc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4819799 JMOUSXFXTKPFRZ-UHFFFAOYSA-N 378.413 2.321 10 50 GECA CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 170594356 LCFATDAVVDZLMU-UHFFFAOYSA-N 384.341 2.417 10 50 GECA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc2c(c1)OCCO2 4470363 HHLLOWQVGBNJEL-ZROIWOOFSA-N 384.388 2.428 10 50 GECA COc1ccc(O)c(CN2CCC[C@@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)c1 12080316 ASXYVFGPFWLIAO-MRXNPFEDSA-N 399.495 2.141 10 50 GECA COc1ccc(N2CCN([C@H]3CC(=O)N(CCc4ccccc4)C3=O)CC2)cc1 4600346 HBEKVQIOLFSAQH-NRFANRHFSA-N 393.487 2.187 10 50 GECA CN1CCN(CC(=O)N2N=C(c3ccccc3O)C[C@@H]2c2cccs2)CC1 253428774 BGDDWZQHEWVCKS-QGZVFWFLSA-N 384.505 2.379 10 50 GECA CC1(C)C[C@H](O)C[C@](C)(CN/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 19535484 YCMLVPUESZZWHL-VTLHVRRPSA-N 399.491 2.316 10 50 GECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1 1191958 VKZNINAGAOPTKU-WJDWOHSUSA-N 396.399 2.429 10 50 GECA O=C(Cn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21)Nc1ccccc1 1211467 GDWWIULKFMLVBC-UHFFFAOYSA-N 388.383 2.029 10 50 GECA COc1cccc(CN2CCN(Cc3ccc(OC)cc3O)C[C@@H]2CCO)c1 20995324 HVTJMRBHHXVNPZ-IBGZPJMESA-N 386.492 2.478 10 50 GECA C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)O 2982363 GYTHIIOYUQWYCM-JASJWYONSA-N 380.356 2.205 10 50 GECA Cn1c(=O)oc2ccc(S(=O)(=O)Nc3nc(-c4ccccn4)cs3)cc21 6659103 DYUQTKINXYBPKG-UHFFFAOYSA-N 388.430 2.451 10 50 GECA COc1cc(OC)c(OC)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 16309510 KMMOIKCTQKLXDX-ZROIWOOFSA-N 382.372 2.379 10 50 GECA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1C 2304155 YIJUBEZFTZFFFE-LICLKQGHSA-N 394.383 2.433 10 50 GECA COc1cc(N/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1 2892670 YYFZGROHKKXYOU-UVTDQMKNSA-N 385.351 2.422 10 50 GECA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/NCCc1c[nH]c2ccccc12 100305006 ZVDCYPHEMIDPGB-QGOAFFKASA-N 388.427 2.463 10 50 GECA C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)C1 72437210 YRMXKAHIEGLKPX-SJLPKXTDSA-N 393.553 2.211 10 50 GECA Cc1ccc(O)c(CN2CCC([C@]3(c4ccccn4)NC(=O)NC3=O)CC2)c1 67934720 ZXXLNHLSXLCZOB-OAQYLSRUSA-N 380.448 2.043 10 50 GECA O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1ccc(Br)cc1 1123904 DZHOATIDOUCBDJ-KAMYIIQDSA-N 396.310 2.029 10 50 GECA Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)O)C1=O 2049286257 OVUVMXLUDXGYCN-UHFFFAOYSA-N 380.356 2.125 10 50 GECA COc1ccc(N2CCN(C(=O)CCn3cc(Br)cn3)CC2)cc1 1012132 QNYPUNUSTKQENK-UHFFFAOYSA-N 393.285 2.393 10 50 GECA CCCS(=O)(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 19525178 PAPAMSAUJYNJSP-UHFFFAOYSA-N 377.304 2.012 10 50 GECA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@H]2N1 269255246 RYWRAYMHBRCGRO-IPELMVKDSA-N 375.488 2.324 10 50 GECA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1OC 16511669 OYJZYNWXOBTPOI-RAXLEYEMSA-N 382.372 2.379 10 50 GECA CCCCN1C(=O)[C@@H]2[C@H](c3ccccc3O)N[C@](CC(C)C)(C(=O)O)[C@@H]2C1=O 230013518 WTQZZTGGLKXCSY-IAGYGMIVSA-N 388.464 2.307 10 50 GECA COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccccc4F)C3=O)CC2)cc1 18285343 GCIGVJQGNHHHEW-IBGZPJMESA-N 383.423 2.288 10 50 GECA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 5009682 XGSDHFIXNRHXIG-DHDCSXOGSA-N 380.356 2.053 10 50 GECA CC(=O)Oc1ccccc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 1454464 YTOFLWGTXNGNFJ-ZBQKXELDSA-N 397.499 2.000 10 50 GECA COc1cc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OC 16225209 YCBBZAYCYJLFDO-ZSOIEALJSA-N 383.360 2.382 10 50 GECA CN(C)c1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 12414022 GBOKMPWJGOKKRG-CKXDQPNJSA-N 382.532 2.141 10 50 GECA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccc[nH]c1=O)c2[N+](=O)[O-] 4624989 JCVNIAVHGNHRPL-UHFFFAOYSA-N 389.323 2.311 10 50 GECA O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 1226918 HTCHVNSWFKKKPS-UHFFFAOYSA-N 386.816 2.474 10 50 GECA CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245237238 YLERWQOEHNKWDH-WOYCLPQFSA-N 380.400 2.076 10 50 GECA CN1CCN(C(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)CC1 19708029 LUPVFPFSKFMDKF-FXBPSFAMSA-N 392.503 2.298 10 50 GECA COc1ccc(/C=C2\SC(=S)N(CC(=O)OCCN(C)C)C2=O)cc1 1215259 JQLIPPHGBLEAJW-UVTDQMKNSA-N 380.491 2.001 10 50 GECA CCCS(=O)(=O)N1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 11821618 TWKCNIBBNSYSAR-SFHVURJKSA-N 381.542 2.021 10 50 GECA O=C(Cn1cc(/C=C2\C(=O)NC(=O)N=C2O)c2ccccc21)NCc1ccco1 18181721 CIWAJXCATCIISX-UHFFFAOYSA-N 392.371 2.140 10 50 GECA COC(=O)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 13785706 TZBGSCSRUONRHV-WJDWOHSUSA-N 380.356 2.148 10 50 GECA COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC(=O)c1ccc(C)cc1 685035 GFGLNZRNRJRRMR-UHFFFAOYSA-N 396.424 2.137 10 50 GECA CC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)NCCc2ccc(N)cc2)cc1 152497368 HSDMDPPVXJXJLU-KPKJPENVSA-N 387.505 2.328 10 50 GECA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)C2=O)cc1C 1093102 VBXTVVKOHLNUQK-SFQUDFHCSA-N 395.415 2.399 10 50 GECA O=C1NC(=S)NC(=O)C1=Cc1cccc(OC(=O)c2ccc(Cl)cc2)c1 1178092 KESJDXUBCWCDAX-UHFFFAOYSA-N 386.816 2.474 10 50 GECA COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(F)cc1 9165782 WZTVERBJPIETBK-UHFFFAOYSA-N 386.404 2.328 10 50 GECA COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3)C2=O)cc1 1174678 GXRZWAQLCLALQV-LFIBNONCSA-N 380.356 2.148 10 50 GECA Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@H]2c1cc(O)c(C(N)=O)c(O)c1O 71769467 RWFFTVBPIJUYCW-SFHVURJKSA-N 397.339 2.035 10 50 GECA O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2cccc(O)c2)C1=O 2452551 OUFODYCVMGVEJG-YPKPFQOOSA-N 397.437 2.261 10 50 GECA COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3OC)OCO4)C2=O)cc1 4949574 XZHONRWAHOAFGC-AUWJEWJLSA-N 396.355 2.099 10 50 GECA O=C1CCC2(CCN(C(=O)c3cccc(O)c3O)CC2)CN1C[C@@H]1CCCO1 91782438 WTGXPEHUQQZDEE-HNNXBMFYSA-N 388.464 2.122 10 50 GECA CN1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N(C)C1=O 1122419 LEIQFXIKDIYDEW-UHFFFAOYSA-N 382.347 2.479 10 50 GECA COC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1 55561885 GGSUOSJDAIZRML-UHFFFAOYSA-N 383.448 2.243 10 50 GECA CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 252265598 NTAYQQFNWIOEMY-FOUBCARRSA-N 394.427 2.071 10 50 GECA COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 10113303 GFFNETJJJURFLI-UHFFFAOYSA-N 386.448 2.479 10 50 GECA O=C1N=C(N2CCOCC2)S/C1=C\c1cc2c(cc1Br)OCO2 13689710 QDNLIJRBWBUCPM-MLPAPPSSSA-N 397.250 2.480 10 50 GECA CN1C(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S 2292812 OPJPSQKLQCJNBS-JYRVWZFOSA-N 380.472 2.425 10 50 GECA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1213709 HQXHWFYOZSVAOL-UUILKARUSA-N 387.735 2.438 10 50 GECA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ncccc4O)C3)CC2)cc1 72169324 TXYVNDRVACIGBT-GOSISDBHSA-N 396.491 2.223 10 50 GECA O=C1N[C@H](c2ccccc2O)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4269821 OTFWNMJGGXWYHG-JJRVBVJISA-N 380.322 2.496 10 50 GECA CC(=O)NN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1209925 VJDVORPYTIRTMR-KTKRTIGZSA-N 398.263 2.024 10 50 GECA COc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C(=O)NC2=S)c1 13571696 WWMYVOKFZNTQFE-XYOKQWHBSA-N 389.414 2.496 10 50 GECA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cccc(OC)c3O)C2)nn1 12157958 WPJGHOCHASFYKG-INIZCTEOSA-N 387.484 2.311 10 50 GECA Cc1nn(-c2ccccc2)c(O)c1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O 15987943 ODFYKOUKULBIAM-BOPFTXTBSA-N 378.363 2.487 10 50 GECA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(OC)cc3O)C2)nn1 15067591 MRNZIEOABVBZHS-INIZCTEOSA-N 387.484 2.311 10 50 GECA COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OC)C2=O)cc1 1192439 RMFDEMMHWRVKJI-RVDMUPIBSA-N 382.372 2.379 10 50 GECA COc1ccc(O)c(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c1 12213026 AOBQYLUOWBVUDM-UHFFFAOYSA-N 387.484 2.215 10 50 GECA O=c1/c(=C/C=C/c2ccccc2)sc2n1CN(c1ccc3c(c1)OCO3)CN=2 1132055 WGZXBRBSZQOQKI-LLLGHMJXSA-N 391.452 2.187 10 50 GECA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1O)CC2 11995425 BZZMYRUQVPITOA-AWEZNQCLSA-N 381.436 2.126 10 50 GECA O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 13648537 BUTKHIWAAKBNPP-UHFFFAOYSA-N 381.476 2.290 10 50 GECA CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(C)C)(C(=O)O)N[C@H]2c1ccccc1O 245257195 WTQZZTGGLKXCSY-GRXQJBFDSA-N 388.464 2.307 10 50 GECA C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)C1 241081866 YRMXKAHIEGLKPX-WMZOPIPTSA-N 393.553 2.211 10 50 GECA O=C(O)COc1ccccc1/C=C1\C(=O)N=C(O)N(c2ccccc2F)C1=O 1243580 NYVFGODZDZXCOJ-FMIVXFBMSA-N 384.319 2.160 10 50 GECA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cnc(N(C)C)nc3)C2=O)cc1 4619290 MCXKPKNDDHTFJF-SXGWCWSVSA-N 379.420 2.332 10 50 GECA COc1ccc(N2CCN(C(=S)c3ccc(OCC(N)=O)cc3)CC2)cc1 4622882 SWDPVWJTYSTRCV-UHFFFAOYSA-N 385.489 2.057 10 50 GECA O=C(c1n[nH]c2ccccc2c1=O)N(Cc1ccccc1O)C[C@H]1CCCO1 117975615 RYRLXGXGNQDVIH-OAHLLOKOSA-N 379.416 2.450 10 50 GECA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(OC)ccc3O)C2)CC1 19228097 HDLNZEATEOOLQL-QGZVFWFLSA-N 377.485 2.139 10 50 GECA CC(C)N1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1CCO 22851236 PZXGJDCODOHOAK-IBGZPJMESA-N 375.513 2.161 10 50 GECA C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCC2)cc1 65363134 XPHHIEBRMIYIJO-OAHLLOKOSA-N 379.526 2.136 10 50 GECA COc1cccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c1O 15067454 HZHMUOGGNVYXTA-QGZVFWFLSA-N 399.495 2.329 10 50 GECA COc1ccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 956001 OEQPYRLEJIMJQF-ATVHPVEESA-N 378.457 2.440 10 50 GECA COc1ccc(OC)c(N/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 2892727 LKASZKBLDUULDJ-UVTDQMKNSA-N 385.351 2.422 10 50 GECA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1CCS(=O)(=O)O 2533631 YFGBJUZWFSVVBI-JYRVWZFOSA-N 383.472 2.094 10 50 GECA COc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c(O)c1 20210251 OEJFZIKVHJAODK-FQEVSTJZSA-N 391.556 2.142 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 916101 QLPZELJTPPFRSZ-UHFFFAOYSA-N 392.477 2.223 10 50 GECA COc1cccc(CN2CCC[C@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)c1O 11782234 AIIWOCKZWHMZAG-INIZCTEOSA-N 399.495 2.141 10 50 GECA COc1ccc(N2CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)[C@H](C)C2)cc1 72440490 KGURFOYBTMZREN-CQSZACIVSA-N 384.480 2.065 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 4703342 SFAJRVAXFUGTMD-UHFFFAOYSA-N 391.449 2.423 10 50 GECA COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1 5050428 OHMVBFOBBXQBSA-UHFFFAOYSA-N 399.403 2.337 10 50 GECA COc1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1O 104439283 LLKDGSMJQFDXDH-HXUWFJFHSA-N 391.556 2.142 10 50 GECA O=C1N=C(O)/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)C(=O)N1 1216911 WYBXUJROYCSVGR-UHFFFAOYSA-N 381.300 2.404 10 50 GECA CC(=O)Nc1ccc(-n2c(C)ccc2C)c(C(=O)NCCc2cc(=O)[nH]cn2)c1 23251191 FBOGQKGUYQLQTJ-UHFFFAOYSA-N 393.447 2.108 10 50 GECA COc1cc(CN2CCN(Cc3ccccc3O)C[C@H]2CCO)cc(OC)c1 104461060 AONVYRFBVPQKKX-LJQANCHMSA-N 386.492 2.478 10 50 GECA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1Br 2082929069 GPWNEDUQSJIQFB-NSHDSACASA-N 398.282 2.150 10 50 GECA CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccc(C)cc2)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O 22005448 LNDLSVCWKVEVIX-KCYZZUKISA-N 377.353 2.050 10 50 GECA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 980482 BNHXFANJVANERV-UHFFFAOYSA-N 397.456 2.391 10 50 GECA O=S(=O)(c1cccc2nsnc12)N1CCN(c2ccc(F)cc2)CC1 1126788 VMESMVSHEACTRW-UHFFFAOYSA-N 378.454 2.341 10 50 GECA COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1F 1061601 OFOUBARLBGYICQ-UHFFFAOYSA-N 386.404 2.328 10 50 GECA O=C1CCCN1CCCN1C(=O)CC[C@@H]2CN(Cc3ccccc3O)CC[C@@H]21 11871022 LNSITWMUMJNLCW-MJGOQNOKSA-N 385.508 2.218 10 50 GECA Cc1ccc(O)c(CN2CCC([C@]3(c4cccnc4)NC(=O)NC3=O)CC2)c1 67805280 WGMWSOVKRMSJBN-OAQYLSRUSA-N 380.448 2.043 10 50 GECA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cc(OC)ccc3O)C2)nn1 15002439 VYBHWFHSDMWINL-MRXNPFEDSA-N 387.484 2.311 10 50 GECA COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c(C)c1 1178830 JBJXKSVTNZLWIZ-UHFFFAOYSA-N 382.372 2.475 10 50 GECA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 2082946032 RAYMJJDLDZNHET-CYBMUJFWSA-N 387.383 2.406 10 50 GECA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cnc(SC)nc3)C2=O)cc1 4754490 DOJLYQQNAPFUAN-ZSOIEALJSA-N 384.417 2.264 10 50 GECA CCCS(=O)(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 11821617 TWKCNIBBNSYSAR-GOSISDBHSA-N 381.542 2.021 10 50 GECA Cc1cc2[nH]cc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)n2n1 101788026 BNKCFYKFAJVFCO-CQSZACIVSA-N 379.464 2.497 10 50 GECA Cn1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)n1 362964384 KZIUIRGRTPMBBQ-LBPRGKRZSA-N 383.374 2.967 10 50 GECA CC1(C)C[C@H](O)C[C@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)C1 22589736 HSDVFJXZMRQENV-HJQKAEDSSA-N 385.464 2.320 10 50 GECA COc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc(OC)c1O 4814921 FPLTUHXSPHCQIH-NTEUORMPSA-N 382.372 2.418 10 50 GECA COC(=O)c1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 5648588 APLPHXORBVIISP-SDNWHVSQSA-N 379.372 2.360 10 50 GECA COC(=O)c1sc(S(=O)(=O)Nc2ccc(O)cc2)c(C(=O)OC)c1C 916106500 RSQBMSXEUJLUIQ-UHFFFAOYSA-N 385.419 2.136 10 50 GECA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1OC 1192415 FHWXBZMNZBKKOL-SDNWHVSQSA-N 382.372 2.379 10 50 GECA COc1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 100744774 CNTCWQXGEZAJLX-RVDMUPIBSA-N 397.387 2.291 10 50 GECA O=C(Cc1ccccc1)NN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 2452196 KQWVBQBWOJUVAE-NXVVXOECSA-N 395.465 2.484 10 50 GECA COC(=O)c1ccccc1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 55562692 JEQUYBKCEIRBKH-UHFFFAOYSA-N 383.448 2.243 10 50 GECA CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 3005194 XEPWMOGNRFYBQF-ATVHPVEESA-N 393.399 2.438 10 50 GECA COc1ccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 2977516 ANHSRBVQMKPJAC-UHFFFAOYSA-N 398.440 2.067 10 50 GECA COc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC 4032110 VZQURJHSKABJOG-KSSSLANASA-N 399.515 2.092 10 50 GECA CCOC(=O)C1CCN(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)CC1 13522605 USORFARWKLUVEX-VBKFSLOCSA-N 399.447 2.045 10 50 GECA O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)cc1C(=O)c1ccccc1 100502603 FBSNCNUEXWEVJC-UHFFFAOYSA-N 385.832 2.398 10 50 GECA CCOc1cc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1O 2082943357 ADITYYFLLLZPID-NSHDSACASA-N 399.515 2.179 10 50 GECA COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N2CCCOC2=O)c(O)c1 252510718 ZOZFBRWLQCTJLZ-GOSISDBHSA-N 384.432 2.471 10 50 GECA COc1ccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c(O)c1 14879426 GTHNPUUCZAHQPC-UHFFFAOYSA-N 387.484 2.215 10 50 GECA C[C@@H](NC(=O)NCc1nc2cccnc2[nH]1)c1ccc(N2CCN(C)CC2)cc1 2325788915 SAAFIZDGDPGYAP-OAHLLOKOSA-N 393.495 2.270 10 50 GECA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(OC)c1OC 13389083 PBDLJRSAXKYQKE-QINSGFPZSA-N 375.421 2.413 10 50 GECA COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 2082270 MWCRHYPMXWHAFH-RAXLEYEMSA-N 382.332 2.182 10 50 GECA COc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1[N+](=O)[O-] 1135055 UUGSHJUXDONDCC-UHFFFAOYSA-N 385.332 2.297 10 50 GECA COc1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)CC2)cc1 4333874 XFYDKRJWJOYPOR-HXUWFJFHSA-N 379.460 2.458 10 50 GECA COc1ccc(N2CCN(CC(=O)Nc3cccc4nsnc34)CC2)cc1 13324554 LKOZZCDUUDKWHG-UHFFFAOYSA-N 383.477 2.461 10 50 GECA CN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N(C)C1=O 2958898 VHBXKKSQYDFXMN-UHFFFAOYSA-N 394.383 2.398 10 50 GECA CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 12414027 COLMXPPNIQTSDI-WJDWOHSUSA-N 379.372 2.117 10 50 GECA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(Br)c1 2082931968 VFKYIYPHAKFYBS-ZDUSSCGKSA-N 398.282 2.150 10 50 GECA COc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(N(C)C)cc2)C1=O 2832206 VTBDVWGOVFDOPD-QINSGFPZSA-N 380.404 2.340 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(OC)c3)CC2)cc1 4412562 PSJLTMLGIWGJFJ-UHFFFAOYSA-N 380.441 2.354 10 50 GECA COc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1 65362518 INVMOOJBACSDDY-UHFFFAOYSA-N 380.441 2.149 10 50 GECA COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 4740951 YQVOMTPKICSLKG-UHFFFAOYSA-N 395.412 2.253 10 50 GECA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 683569 KTQATUBWSONLCG-PDGQHHTCSA-N 384.461 2.206 10 50 GECA Cn1c(SCC(=O)NCc2cc([N+](=O)[O-])ccc2O)nnc1-c1ccco1 12427805 JWYQLOQPTAROON-UHFFFAOYSA-N 389.393 2.097 10 50 GECA CCOc1ccccc1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 13619024 ONQRAXXNQSDLBC-OJLMPMFISA-N 383.516 2.474 10 50 GECA C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1)C(=O)O 2289640 PUYWGECMOZMOFR-IWQAVIMZSA-N 398.346 2.344 10 50 GECA O=c1cc([C@@H]2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)nc[nH]1 23543046 XMIKDRKGUXCGKC-OAHLLOKOSA-N 382.464 2.347 10 50 GECA CN(C)c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1Br 4725717 TXYIKEXNOKQGAH-HWKANZROSA-N 381.186 2.383 10 50 GECA O[C@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1Cc1ccccn1 1616082108 YBSACTWQLYOYRC-JXFKEZNVSA-N 381.476 2.315 10 50 GECA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccc(OC)c3O)C2)nn1 12157952 WPJGHOCHASFYKG-MRXNPFEDSA-N 387.484 2.311 10 50 GECA O=C1N[C@H](c2ccccc2O)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859240 OTFWNMJGGXWYHG-VBQJREDUSA-N 380.322 2.496 10 50 GECA CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)N(C)C1=O 1159058 OVOJLTHNTCPDTD-UHFFFAOYSA-N 393.399 2.138 10 50 GECA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 238162893 RYWRAYMHBRCGRO-SNRMKQJTSA-N 375.488 2.324 10 50 GECA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc(N3CCOCC3)cc2)cn1 1857668080 AEAYGXXZEUYWKV-UHFFFAOYSA-N 394.479 2.099 10 50 GECA CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(Br)cc1OC 1122297 BMRPDSWTXGYJNA-UHFFFAOYSA-N 397.225 2.290 10 50 GECA COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(C)=O)cc3)CC2)cc1 20109655 QWXMMQRHDCIRJA-FQEVSTJZSA-N 384.476 2.460 10 50 GECA COc1cccc(O)c1CN1CCN(C2CCN(C(C)C)CC2)[C@H](CCO)C1 104325896 LCAJJOOJMVJUCN-LJQANCHMSA-N 391.556 2.142 10 50 GECA CCCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 13403778 QSUDWWAUYDCMPG-YPKPFQOOSA-N 376.459 2.489 10 50 GECA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1235886 ICRQMQBVDGOOFY-NPRUJURCSA-N 376.459 2.344 10 50 GECA in-vitro COc1ccc(O)c(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1 12079142 IUXQDKIEIASSSG-KRWDZBQOSA-N 399.495 2.456 10 50 GECA COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)cc1 12381966 QCCMTQOWUSIIAB-IBGZPJMESA-N 385.464 2.391 10 50 GECA CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 169294512 NTAYQQFNWIOEMY-IDVKNYFZSA-N 394.427 2.071 10 50 GECA COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 1207000 ONPZZGNTEUYZGI-UHFFFAOYSA-N 395.415 2.315 10 50 GECA COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccccc4F)C3=O)CC2)cc1 1481076 GCIGVJQGNHHHEW-LJQANCHMSA-N 383.423 2.288 10 50 GECA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 4457217 RJODRXOXSKAXOE-LFIBNONCSA-N 390.461 2.431 10 50 GECA CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 100937947 ZHLPNQKHXWVIGJ-OVCLIPMQSA-N 386.385 2.468 10 50 GECA O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 3641693 BEZOCJJRCCRLAY-KQDRGBMMSA-N 376.415 2.297 10 50 GECA