smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](NC(=O)CCC(=O)c1cccc2ccccc12)C1CC(O)C1 218017662 XZGFZLOPMICFJY-RJYAGPCLSA-N 339.435 3.468 70 50 EGIA Cc1n[nH]c(C)c1CCN(C)C(=O)CCCC(=O)c1ccccc1 217089722 WLDYYDYWLZQGIR-UHFFFAOYSA-N 327.428 3.081 70 50 EGIA OC(c1ccccc1)(c1ccccc1)C1CCN(c2ncncn2)CC1 218343120 GUGKJBZLQUTEQV-UHFFFAOYSA-N 346.434 3.024 70 50 EGIA COc1ccc2[nH]c(CNC(=O)[C@@H](C)Sc3ccccn3)cc2c1 218551771 JGUCTYXKXIXNGC-GFCCVEGCSA-N 341.436 3.369 70 50 EGIA CCS[C@@H]1CCC[C@H]1NC(=O)c1ccncc1Br 159708034 LUAKNQBZWTUXEY-VXGBXAGGSA-N 329.263 3.248 70 50 EGIA COC1(CNC(=O)N[C@H]2c3ccccc3CCC2(C)C)CCOCC1 160869466 NBDIESUCKYECIA-KRWDZBQOSA-N 346.471 3.195 70 50 EGIA Cc1noc(CNC(=O)Nc2cc(-c3ccccc3)nn2C(C)C)n1 160366783 BNAZMHLYRBLWOX-UHFFFAOYSA-N 340.387 3.144 70 50 EGIA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc(-c2cccs2)nn1C 218706705 GNAQNMBUHWZMTI-LBPRGKRZSA-N 343.456 3.322 70 50 EGIA C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382547 FYLNFBHGOIFBDV-SNVBAGLBSA-N 342.348 3.098 70 50 EGIA CC(=O)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)s1 218333375 XLDSVLKCRCUYLI-UHFFFAOYSA-N 330.409 3.029 70 50 EGIA CC(C)Oc1cncc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1 159580906 NFZSADYLVAPQCC-OAHLLOKOSA-N 332.425 3.144 70 50 EGIA CN(CCO)c1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1 217468009 DECVVKFNACYVQN-SFHVURJKSA-N 330.472 3.158 70 50 EGIA CC(=O)c1cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)cs1 218562823 NVKQWYDVEQVCIH-ORQFMDKSSA-N 333.453 3.274 70 50 EGIA CCc1ncc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cn1 161500543 PVKGGSDFDPHCHZ-UHFFFAOYSA-N 325.459 3.199 70 50 EGIA CC1=C(CCN2CCCn3nc([C@@H](O)CO)cc3C2)C(C)(C)CCC1 217704470 STIOPZHGCYRLLH-IBGZPJMESA-N 347.503 3.031 70 50 EGIA CCn1ccc2ccc(NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)cc21 160671035 VBOFVLLGLZYPCJ-LBPRGKRZSA-N 325.416 3.445 70 50 EGIA O=C(c1ccccc1OC(F)F)N1CCC[C@@H](Cn2ccnc2)C1 218106278 WCCUFEVUUZYISS-ZDUSSCGKSA-N 335.354 3.037 70 50 EGIA COc1cccc([C@@H]2CCCN2C(=O)COCC(F)(F)C(F)F)c1 218399369 JASSONXFRMPTLD-ZDUSSCGKSA-N 349.324 3.276 70 50 EGIA COc1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)nn1 159483525 UDTXHHLYVXRWRA-QGZVFWFLSA-N 336.395 3.334 70 50 EGIA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cccc(O)c1 218521417 QTWTZTYKZADDKZ-UPQHMETBSA-N 348.402 3.182 70 50 EGIA Cc1nc(-c2cccc(NC(=O)[C@H](O)c3ccccc3Cl)c2)n[nH]1 160226738 FSHDLOAFDAIWTG-OAHLLOKOSA-N 342.786 3.106 70 50 EGIA COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1OC 217734575 SWHXXMXDEAISLU-ZDUSSCGKSA-N 342.347 3.053 70 50 EGIA biogenic Cc1nccn1CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 217087608 PRFXKPHQDGKDNQ-INIZCTEOSA-N 325.412 3.144 70 50 EGIA C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)C[C@@H]1CCC[C@@H]1O 159709436 BBPPTNMRVLSBLU-ZETOZRRWSA-N 345.270 3.413 70 50 EGIA FC(F)Oc1ccccc1CN1CCO[C@H](c2nccs2)C1 161444574 JNHUIWSOFWPRLK-ZDUSSCGKSA-N 326.368 3.318 70 50 EGIA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1ccc(Cl)cc1F 218529002 UXIYNFQNOMIOMQ-UHFFFAOYSA-N 346.749 3.196 70 50 EGIA COC(=O)C(C(=O)OC)=P(CC(C)C)(CC(C)C)CC(C)C 100008664 OOQKHEXROSRVJX-UHFFFAOYSA-N 332.421 3.490 70 50 EGIA COc1nc(C)cc(C)c1CNC(=O)CCC(=O)c1ccc(F)cc1 218174106 SNAXFBDRGJRLIJ-UHFFFAOYSA-N 344.386 3.125 70 50 EGIA O=C1C[C@@H](c2c(Cl)nc3sccn23)c2cc3c(cc2O1)OCO3 218161172 LMYTXHCQCUPUJO-MRVPVSSYSA-N 348.767 3.219 70 50 EGIA CSc1ccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)cc1 217912788 MTQGOCFHXCFSBI-QGZVFWFLSA-N 348.512 3.126 70 50 EGIA Cc1cnccc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218595671 ZKPMNDKOPPJUGU-LAGYLCCXSA-N 347.418 3.180 70 50 EGIA COc1ccc(C2(C(=O)NCc3cc(C(C)(C)C)n[nH]3)CC2)cc1 218281875 ISJQQZYMONLJAZ-UHFFFAOYSA-N 327.428 3.064 70 50 EGIA C[C@H](C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1)C1CCOCC1 160386260 UFNOYNXBROUAAK-IPELMVKDSA-N 331.456 3.303 70 50 EGIA Cc1cc2cc(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)ccc2o1 217177863 SMAYRZAAZHLHEO-CYBMUJFWSA-N 339.395 3.037 70 50 EGIA CSCC[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1C 218305708 GZDYQICFNSTHJQ-AWEZNQCLSA-N 340.452 3.193 70 50 EGIA CN1CCC(C(=O)NCCCC[C@@H]2CCCO2)(c2ccccc2)CC1 218281272 SMHCXIDJTQCZOD-LJQANCHMSA-N 344.499 3.116 70 50 EGIA O=C(CSc1ncccn1)NCC1(c2ccccc2F)CCCC1 218312986 LZAFQJICKKSFCB-UHFFFAOYSA-N 345.443 3.336 70 50 EGIA CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 218207213 ZBZCHUQJKSUTEI-CQSZACIVSA-N 342.226 3.130 70 50 EGIA CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@H]2CC=CCC2)s1 160501283 IBYQKLLMMBGFHK-NSHDSACASA-N 327.471 3.207 70 50 EGIA Cn1ccnc1-c1cccc(NC(=O)c2cccc(-c3ncn[nH]3)c2)c1 161106827 CLYFENOGEPFTCK-UHFFFAOYSA-N 344.378 3.125 70 50 EGIA CC1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 217686259 CFLFEHOWXPFODO-BGZZBSKSSA-N 338.451 3.219 70 50 EGIA Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1 218669955 VFLGDAMWFGMIEJ-QLOJAFMTSA-N 337.419 3.172 70 50 EGIA Cc1c[nH]c(CN(C)C(=O)c2oc(COc3ccccc3)cc2C)n1 217058275 MJEQAAZADLVKFX-UHFFFAOYSA-N 339.395 3.471 70 50 EGIA Cc1ccc(C)n1CC(=O)N[C@@H](CC(C)C)c1nnc2ccccn12 218564610 MWPBYSQMRHAYHZ-INIZCTEOSA-N 339.443 3.051 70 50 EGIA CCOc1ccc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)o1 218476997 IZSDROUZAHWVDX-HNNXBMFYSA-N 331.416 3.268 70 50 EGIA Cc1ccccc1[C@]1(O)CCN(C(=O)Cc2ccc(F)cc2Cl)C1 218366890 YQWZLTFBVVAEFX-IBGZPJMESA-N 347.817 3.450 70 50 EGIA O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@H](Cn2ccnn2)C1 161362003 WCSNJCUCBOUZJF-WNRNVDISSA-N 330.476 3.123 70 50 EGIA Cc1ccc(OCc2occc2C(=O)N(C)Cc2cnccn2)cc1 217347292 URSMUQUGALFFQN-UHFFFAOYSA-N 337.379 3.229 70 50 EGIA Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c1 160610361 GGWKFCHJUZMYLK-AWEZNQCLSA-N 328.437 3.441 70 50 EGIA Cc1[nH]c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)cc2c1C 218687563 ZOPYQJCOVZLAQI-RTBURBONSA-N 342.439 3.099 70 50 EGIA O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCC[C@H]1c1ccccn1 217174273 IJDHEDAPSFWNIV-KRWDZBQOSA-N 337.354 3.040 70 50 EGIA CC(=O)Nc1ncc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1C 216708060 AMZXZGQMLWYFRU-UHFFFAOYSA-N 333.432 3.463 70 50 EGIA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(c3ccncc3)CC2)c1C 218032268 RCFWDNLQEMKBQW-UHFFFAOYSA-N 325.412 3.249 70 50 EGIA O=C(Nc1ccc(S(=O)(=O)Cl)c(Cl)c1)N1CCCCC1 95698255 XDOWVBDPAQEXOQ-UHFFFAOYSA-N 337.228 3.285 70 50 EGIA Cc1c(Br)ccc(S(=O)(=O)Cl)c1Br 100553567 HJZSZXVQHGQLGV-UHFFFAOYSA-N 348.443 3.448 70 50 EGIA CC(=O)Nc1cccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1 159506558 OESIAFSYLLONNA-NRFANRHFSA-N 336.435 3.319 70 50 EGIA CC[C@H](NC(=O)c1cn(C)c2ccc(C)cc2c1=O)c1cccnc1 218741540 VTTLLPVOQXCRTK-KRWDZBQOSA-N 335.407 3.123 70 50 EGIA O=C(NC[C@@H]1OCCc2ccccc21)c1ccccc1N1CCCC1 217190217 AODMEEPXZSBMAH-FQEVSTJZSA-N 336.435 3.331 70 50 EGIA CC(C)c1cc(C(=O)Nc2cccc(C(N)=O)c2)nn1-c1ccccc1 160016836 LLUZFHUPVLWOHJ-UHFFFAOYSA-N 348.406 3.347 70 50 EGIA CC(=O)c1ccc(C(=O)N[C@H](C)c2nncn2C2CCCC2)s1 218437746 RQFZKOAMXPXADD-SNVBAGLBSA-N 332.429 3.148 70 50 EGIA Cc1cc(C[C@H](C)NC(=O)Nc2cc(Cl)ccc2N(C)C)n[nH]1 160549286 AZSRHGSOPZEQTO-JTQLQIEISA-N 335.839 3.190 70 50 EGIA COC[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccn1 218060981 QJRGWVMEIXOFDM-IBGZPJMESA-N 339.439 3.189 70 50 EGIA C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382546 FYLNFBHGOIFBDV-JTQLQIEISA-N 342.348 3.098 70 50 EGIA COC1(CNC(=O)N[C@@H]2c3ccccc3CCC2(C)C)CCOCC1 160869589 NBDIESUCKYECIA-QGZVFWFLSA-N 346.471 3.195 70 50 EGIA COc1cc(OC)c(CN2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)cc1Cl 217150695 JRNAJPAEUQAEIS-MCBXIFIFSA-N 338.879 3.129 70 50 EGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@H]1CC[C@@]2(C1)CC2(F)F 1875384042 BYEGJLPMPRVJMD-TVQRCGJNSA-N 349.330 3.044 70 50 EGIA Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)c[nH]c1=O 159625334 MYXMWMCNCNCYHG-UHFFFAOYSA-N 342.786 3.083 70 50 EGIA CN(CC1CCOCC1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 160471782 TVAURLOISWRBFL-SJPCQFCGSA-N 338.492 3.275 70 50 EGIA Cc1cnc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 161157610 ILRHCBFTIMOOQK-UONOGXRCSA-N 326.318 3.310 70 50 EGIA Cc1cc(C)nc(CN(C)C(=O)c2nc3cccc(C)n3c2F)c1 217164608 XSQGJDDVGJGWBP-UHFFFAOYSA-N 326.375 3.066 70 50 EGIA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@@H]1CC[C@H](N)C1 216986803 CXXCHKJFHHGZKS-OLZOCXBDSA-N 330.457 3.244 70 50 EGIA C[Si@@H](CCCOC[C@]1(O[Si](C)(C)C)CO1)O[Si](C)(C)C 1857524501 QRWAUCWZRQPPOK-UGSOOPFHSA-N 336.653 3.176 70 50 EGIA Cc1cnc(Cc2nn3c(-c4cccc(Cl)c4F)nnc3s2)[nH]1 218383975 KPFCFIFOJUWUHZ-UHFFFAOYSA-N 348.794 3.268 70 50 EGIA CCCCS[C@@H](C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385225 OZAHSHYSMCQRBL-JTQLQIEISA-N 335.422 3.140 70 50 EGIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc(-c2ccsc2)[nH]n1 217673443 CYIZOHSICLGTIL-SUMWQHHRSA-N 344.484 3.133 70 50 EGIA biogenic CN(C)C1(CNC(=O)[C@@H](c2ccccc2)C2CCCC2)CCOCC1 218420908 PGBRLTNSKPQYEG-IBGZPJMESA-N 344.499 3.187 70 50 EGIA c1cc(OC[C@@H]2CCCO2)ccc1NC1CCC2(CC1)OCCO2 161102844 SHKXRPHJTFZABH-SFHVURJKSA-N 333.428 3.342 70 50 EGIA CCSc1nc(CC(=O)NCc2cn3ccc(C)cc3n2)cs1 217883286 RAPSDAIMPHFKJY-UHFFFAOYSA-N 346.481 3.070 70 50 EGIA Clc1ccc([C@@H]2CN(CCn3ccnc3)CCO2)cc1Cl 159797277 XOGMVUKLZCHYEJ-HNNXBMFYSA-N 326.227 3.263 70 50 EGIA Cc1cc(Cl)cc2c(N3CCCn4nc(CO)cc4C3)ccnc12 217206398 AMQIUTQUZNNBEQ-UHFFFAOYSA-N 342.830 3.296 70 50 EGIA CC(C)Oc1cc(CNC(=O)c2csc([C@H]3CCCO3)n2)ccn1 161431018 DBYFSAJCGIKTHY-CQSZACIVSA-N 347.440 3.107 70 50 EGIA CC1=CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)C[C@@H]2C1 218704914 OCPDRYQTIGZEDQ-OLZOCXBDSA-N 326.371 3.096 70 50 EGIA O=S(=O)(Cl)c1ccc(Br)cc1OC(F)(F)F 95707893 ZZCIRIWJHAZTIW-UHFFFAOYSA-N 339.516 3.275 70 50 EGIA in-vitro Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NC2CCCC2)n1 218356411 VULJEYDCIZTYER-GOSISDBHSA-N 338.455 3.175 70 50 EGIA CSCc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)o1 218684475 KNXWZFKJMWSOEF-UHFFFAOYSA-N 332.425 3.221 70 50 EGIA O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@H]2CCCC[C@H]21 160048137 GYWUOZWLBMWXGZ-GDBMZVCRSA-N 340.427 3.253 70 50 EGIA Nc1nccc(C2CCN(C(=O)CCCCc3ccccc3)CC2)n1 217041337 QJSWAVYQVDONFN-UHFFFAOYSA-N 338.455 3.178 70 50 EGIA C[C@H]1CSc2ccccc2N(C(=O)CCOC2CCOCC2)C1 159598940 LTZFVBASEDLUGO-CQSZACIVSA-N 335.469 3.347 70 50 EGIA COc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(C)nc2)cc1 218560947 MXECTXJBDIZHQP-CQSZACIVSA-N 326.396 3.239 70 50 EGIA Cc1ccc(C)c(OCc2nnc(SCc3ccnn3C)o2)c1 161251082 IUEFZSWJDJAXBP-UHFFFAOYSA-N 330.413 3.291 70 50 EGIA Cc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1F 218425133 LBISCEAZLVEUHF-QGZVFWFLSA-N 328.387 3.351 70 50 EGIA O=C(c1csc([C@H]2CCCO2)n1)N1CCc2ccc(F)cc2C1 160665463 LJUALGVGLBBRDD-OAHLLOKOSA-N 332.400 3.332 70 50 EGIA O=C(CCN1CCCCCCC1)NCc1noc(-c2ccccc2)n1 218356863 DKDOSXJZDXZZSI-UHFFFAOYSA-N 342.443 3.009 70 50 EGIA O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2ccccc2c1O 100971851 OEDKVOLNPCRWRJ-UHFFFAOYSA-N 345.351 3.456 70 50 EGIA C[C@@H](Cc1cnccn1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 218231568 HPUIOVXPOLQCNW-ZDUSSCGKSA-N 329.831 3.299 70 50 EGIA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1c(C)nc2ccccn12 218423172 HDEYUODCTGXHMF-LBPRGKRZSA-N 326.425 3.215 70 50 EGIA Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCCC3)c(O)n2n1 218407843 MSCKRVVVEDUXSN-CYBMUJFWSA-N 332.404 3.129 70 50 EGIA Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](C(C)C)CC(=O)O2 217994668 WZKRJKOUXKBDQI-INIZCTEOSA-N 341.407 3.154 70 50 EGIA biogenic C[C@@H]1CCC[C@@H](C(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1 161268757 ZPFFPTPHKCMPGQ-HUUCEWRRSA-N 334.485 3.249 70 50 EGIA CC(C)n1cccc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 218407112 TZJOPYZDZYHJPR-QGZVFWFLSA-N 327.428 3.285 70 50 EGIA O=C(CCC(=O)c1ccccc1)N[C@H](Cn1cccn1)c1ccccc1 218763977 OZNGPWKIIMXBFT-LJQANCHMSA-N 347.418 3.404 70 50 EGIA COc1ccccc1N1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 161038303 OBJLPQAZZMIPCT-HNNXBMFYSA-N 335.407 3.185 70 50 EGIA CCOCCOc1ccccc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C 217502156 RATFQQZGTFBPAR-HNNXBMFYSA-N 345.443 3.275 70 50 EGIA COc1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)nn1 159483640 UDTXHHLYVXRWRA-KRWDZBQOSA-N 336.395 3.334 70 50 EGIA CCn1ccc2cc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)ccc21 218123935 OHIXOXXKIQXXLI-FUHIMQAGSA-N 349.434 3.298 70 50 EGIA C[C@@H]1CSc2ccccc2N(C(=O)CCOC2CCOCC2)C1 159599087 LTZFVBASEDLUGO-AWEZNQCLSA-N 335.469 3.347 70 50 EGIA CC(C)(C(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1ccccc1 1875384999 KUFPCZCNEVFUNE-UHFFFAOYSA-N 337.372 3.196 70 50 EGIA C[C@@H](C(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1cccc(F)c1 1875385036 LJKJBYFXQXDQHV-SNVBAGLBSA-N 341.335 3.161 70 50 EGIA O=C(NCC1CC1)c1cc(Br)c(O)c(Br)c1 161304469 FNHXOHUWWJISJO-UHFFFAOYSA-N 349.022 3.057 70 50 EGIA CN(C)C1(CNC(=O)[C@H](c2ccccc2)C2CCCC2)CCOCC1 218420988 PGBRLTNSKPQYEG-LJQANCHMSA-N 344.499 3.187 70 50 EGIA Cc1ncsc1CCNC(=O)c1ccc(CN2CCC(C)CC2)o1 217954132 RWZWDUZNLKVRQU-UHFFFAOYSA-N 347.484 3.249 70 50 EGIA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)CCCc1nccn1C 218730113 OEKUCNOKGALEQM-CQSZACIVSA-N 349.862 3.240 70 50 EGIA C[C@H](C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1)C1CCOCC1 160386546 UFNOYNXBROUAAK-SNRMKQJTSA-N 331.456 3.303 70 50 EGIA c1ccc2c(N[C@@H]3CCOC[C@H]3OCc3cscn3)ccnc2c1 218448892 IDMIWVCTDSQUND-QZTJIDSGSA-N 341.436 3.478 70 50 EGIA O=C(NCc1ccc2ccccc2n1)[C@H](O)c1ccccc1Cl 217078340 LWYUHUWNBYZYJH-QGZVFWFLSA-N 326.783 3.238 70 50 EGIA CC[C@@H](NC(=O)c1cc2ccccc2n1C)c1cn2cccnc2n1 216966461 ANPNZBKXOCVWDD-CQSZACIVSA-N 333.395 3.102 70 50 EGIA O=C(COCC(F)(F)C(F)F)N1CCCC[C@@H]1c1ccccn1 217508493 APXHTPZQGWKFJV-GFCCVEGCSA-N 334.313 3.052 70 50 EGIA CCN(CC)C(=O)[C@@H](Sc1ncnc2[nH]cnc12)c1ccccc1 161367115 YYBNUYNWQCQMCY-AWEZNQCLSA-N 341.440 3.055 70 50 EGIA Cc1nccn1CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 217087584 PRFXKPHQDGKDNQ-MRXNPFEDSA-N 325.412 3.144 70 50 EGIA C[C@@H](NC(=O)CSc1ccccn1)c1ccccc1-n1cccn1 218111490 RYCSVFZZIVJLCG-CQSZACIVSA-N 338.436 3.237 70 50 EGIA Cc1n[nH]c([C@@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)n1 217081158 PBBMUWZSBNDSFR-MRXNPFEDSA-N 336.395 3.393 70 50 EGIA CC1=CC[C@@H]2CN(C(=O)C3CCN(Cc4ccco4)CC3)C[C@@H]2C1 218449603 DIWAQALCNTUIBN-MSOLQXFVSA-N 328.456 3.306 70 50 EGIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(O)c(Cl)c1)CC(=O)O2 217657967 LJDDAQUPGBRPBA-LLVKDONJSA-N 332.739 3.395 70 50 EGIA biogenic CC(C)c1ccc(OCCN(C)c2cc(C3CC(N)C3)ncn2)cc1 218586932 PUGAIKFJZCQGBF-UHFFFAOYSA-N 340.471 3.320 70 50 EGIA CCCCc1ccc(-n2cc(CN3CCN(C)[C@@H](C)C3)cn2)cc1 217595523 MKHZDSPWPATOLK-KRWDZBQOSA-N 326.488 3.351 70 50 EGIA CC(C)c1nccn1[C@@H](C)C(=O)NCc1ccc2c(c1)CCCO2 218293233 PRHXDCAWKGMIQQ-AWEZNQCLSA-N 327.428 3.209 70 50 EGIA O=S(=O)(Cl)c1cc(Br)cc(Br)c1 59796759 PCSALOWJAYHZFZ-UHFFFAOYSA-N 334.416 3.139 70 50 EGIA CC(C)[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2n1C 218351738 GOEBOSFJHIOFSA-SFHVURJKSA-N 339.443 3.064 70 50 EGIA COC[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccn1 218060906 QJRGWVMEIXOFDM-LJQANCHMSA-N 339.439 3.189 70 50 EGIA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)CCCc1nccn1C 218730058 OEKUCNOKGALEQM-AWEZNQCLSA-N 349.862 3.240 70 50 EGIA CC(C)OCCCNC(=O)c1c2c(nc3c1cnn3C(C)C)CCC2 218611446 UGUWJLHNAVOOJW-UHFFFAOYSA-N 344.459 3.046 70 50 EGIA Cc1nc2cc(CNC(=O)c3cn(C)c4ccccc34)ccc2n1C 216989301 VBJYCVGDPIHETL-UHFFFAOYSA-N 332.407 3.303 70 50 EGIA COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c(F)c1 218264752 OUENMDRZGCBESJ-ZDUSSCGKSA-N 340.306 3.382 70 50 EGIA CN(C)Cc1ccccc1CN(C)C(=O)[C@H]1CCc2ccccc2O1 218210258 PFEDWZUWZDEJAS-HXUWFJFHSA-N 338.451 3.100 70 50 EGIA O=C(CN1CC[C@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 218703057 VXNOGJQCWOBZKC-NRFANRHFSA-N 349.478 3.277 70 50 EGIA Cc1nc(CC(C)C)cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)n1 217139079 KLGYCWWRPWCSIM-UHFFFAOYSA-N 349.438 3.099 70 50 EGIA CC(C)Sc1n[nH]c(NS(=O)(=O)c2cccc3ccccc23)n1 160931231 NDQKUTFGOJTFPB-UHFFFAOYSA-N 348.453 3.259 70 50 EGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](CC(C)C)CC(=O)O2 218103162 VZDLINYSSJQYLR-NSHDSACASA-N 344.363 3.448 70 50 EGIA biogenic CC(C)c1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cs1 218362307 ZKSCLPXDPYSZIA-MRXNPFEDSA-N 347.484 3.191 70 50 EGIA Cc1cnc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 161157478 ILRHCBFTIMOOQK-ZIAGYGMSSA-N 326.318 3.310 70 50 EGIA CCN(CC)C[C@H]1CCCN1Cc1cc(C)ccc1-n1cccn1 218606493 UTXPLGXTCZZZPN-LJQANCHMSA-N 326.488 3.487 70 50 EGIA Cc1ccc(/C=C/C(=O)Nc2ccc(OS(=O)(=O)F)cc2)cc1 1875385293 QFOYPLSMXNMKFM-IZZDOVSWSA-N 335.356 3.240 70 50 EGIA O=C(NC[C@@H]1CCc2ccccc21)C1(c2ccccc2)CCNCC1 159731622 BYQOZQPIQNMIPU-SFHVURJKSA-N 334.463 3.154 70 50 EGIA Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c1 160610484 GGWKFCHJUZMYLK-CQSZACIVSA-N 328.437 3.441 70 50 EGIA Cc1nc(NCCCCN2CCCCCC2)cc(C2CC(O)C2)n1 218259678 LWDLQXFCLRVZGK-UHFFFAOYSA-N 332.492 3.091 70 50 EGIA OC1(c2ccccc2)CCN(Cc2ccccc2Cn2cccn2)CC1 218709491 ADVCMRUESFPWKU-UHFFFAOYSA-N 347.462 3.415 70 50 EGIA CN1C(=O)C[C@H](CNC(=O)CCCc2cccs2)c2ccccc21 217669641 MIGFOPMARSCRIN-CQSZACIVSA-N 342.464 3.337 70 50 EGIA Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 217701547 VUGZRNAWLXEZAY-ZACQAIPSSA-N 327.380 3.074 70 50 EGIA COc1ccc2[nH]c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc2c1 217661966 LGIFLRZBMIUGON-IFXJQAMLSA-N 341.455 3.171 70 50 EGIA biogenic CC(C)OCC1CCN(C(=O)[C@H](c2ccc(F)cc2)N(C)C)CC1 217524184 UAGLFDOHJLEYPI-SFHVURJKSA-N 336.451 3.092 70 50 EGIA Cn1cnc(-c2ccc(NC(=O)N(Cc3cccnc3)C3CC3)cc2)n1 161041237 NZVOLOSXSSLFKV-UHFFFAOYSA-N 348.410 3.074 70 50 EGIA Cc1nn(C)c(C)c1C(=O)N1CCCC[C@H]1CCc1ccccn1 218248170 NQYFPUMRXSHANT-KRWDZBQOSA-N 326.444 3.059 70 50 EGIA CC(C)CN1CC[C@@H](CN(C)C(=O)Cc2ccc(O)c(Cl)c2)C1 217195421 ZIKQHDVYXJHTMK-HNNXBMFYSA-N 338.879 3.024 70 50 EGIA O=C(Cc1ccncc1)N1CCC[C@H](COc2ccccc2F)C1 218776526 CSJGFRQYYZADEF-INIZCTEOSA-N 328.387 3.081 70 50 EGIA COCc1ccc([C@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2)o1 161296042 UMCRZBZFXNCECX-OAHLLOKOSA-N 331.416 3.355 70 50 EGIA CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc3ncsc3c2)C1 161401184 BIZJJSOBQNKSCJ-NSHDSACASA-N 333.413 3.103 70 50 EGIA C[Si@H](CCCOC[C@@]1(O[Si](C)(C)C)CO1)O[Si](C)(C)C 1857524499 QRWAUCWZRQPPOK-FZKQIMNGSA-N 336.653 3.176 70 50 EGIA Cc1noc(C)c1[C@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 218559116 ZIOCRXOKURUWKN-MRXNPFEDSA-N 338.411 3.464 70 50 EGIA O=[N+]([O-])c1ccc2nc(-c3ccc(S(=O)(=O)F)cc3)cc(O)c2c1 100969671 SSNMXXJMUSBOGU-UHFFFAOYSA-N 348.311 3.174 70 50 EGIA COCCOc1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1Cl 161500548 QSQPQEYRWIQANW-LBPRGKRZSA-N 344.864 3.334 70 50 EGIA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)cn1 216978219 NJWVGRYFTCPDTH-ICSRJNTNSA-N 335.451 3.127 70 50 EGIA C[C@H](Cc1cnccn1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 218231649 HPUIOVXPOLQCNW-CYBMUJFWSA-N 329.831 3.299 70 50 EGIA COc1ccc([C@H](NC(=O)NCc2ccco2)C(F)(F)F)cc1 161496923 FMSWZANHLQUMPZ-ZDUSSCGKSA-N 328.290 3.391 70 50 EGIA COc1ccc2[nH]c(CNC(=O)Cc3ccc(F)cc3C)cc2c1 218312477 QKNQRZKXRYEXBY-UHFFFAOYSA-N 326.371 3.483 70 50 EGIA Cc1ccn2cc(CNC(=O)c3cc(-c4ccsc4)n[nH]3)nc2c1 217528859 RCCKHVIRCHJZCB-UHFFFAOYSA-N 337.408 3.024 70 50 EGIA COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1 217627011 LLNUURQWLWCGFN-AWEZNQCLSA-N 342.347 3.053 70 50 EGIA biogenic C[C@@H](c1ccc(CN2CCC(c3nccn3C)CC2)cc1)N(C)C 217648081 BIHQASZEIBYJOT-INIZCTEOSA-N 326.488 3.422 70 50 EGIA Clc1ccc([C@H]2CN(CCn3ccnc3)CCO2)cc1Cl 159797389 XOGMVUKLZCHYEJ-OAHLLOKOSA-N 326.227 3.263 70 50 EGIA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1c(C)nc2ccccn12 218423249 HDEYUODCTGXHMF-GFCCVEGCSA-N 326.425 3.215 70 50 EGIA CCOc1cc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)cc(Cl)c1OCC 217054050 NSKOSMAMLYXILJ-HALDLXJZSA-N 339.863 3.340 70 50 EGIA CC1(NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)CCC1 161330680 DKNBJTLEPDZEBN-LBPRGKRZSA-N 339.386 3.109 70 50 EGIA O=S(=O)(Cl)c1ccc(Br)cc1Br 95707680 OMOXIKAWVFDFNX-UHFFFAOYSA-N 334.416 3.139 70 50 EGIA in-vitro Cc1ccc(C)c(-n2ncc(NC(=O)NC[C@H]3CCCO3)c2C)c1 160885196 UBMISORKGQCWEI-OAHLLOKOSA-N 328.416 3.098 70 50 EGIA O=C(c1ccn(C(F)F)n1)N1CCCC[C@H]1CCc1ccccn1 218387656 QBULFAMHHRHLHW-AWEZNQCLSA-N 334.370 3.301 70 50 EGIA Cc1ccc(CNC(=O)Cn2cc3ccccc3n2)c2cccnc12 216925358 DMXCBTWWIVOUIY-UHFFFAOYSA-N 330.391 3.209 70 50 EGIA Cn1ncnc1[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 218079256 UFRUHEJSQZDTAS-GOSISDBHSA-N 348.406 3.489 70 50 EGIA CC[C@H](NC(=O)c1cc2ccccc2n1C)c1cn2cccnc2n1 216966479 ANPNZBKXOCVWDD-AWEZNQCLSA-N 333.395 3.102 70 50 EGIA COc1cc(Cl)ccc1C(=O)NCC[C@H]1COc2ccccc2O1 216966215 HPZNBROCTMPAIK-ZDUSSCGKSA-N 347.798 3.309 70 50 EGIA COc1ccc([C@@H](NC(=O)[C@H]2CCNC2)c2ccccc2Cl)cc1 160421459 FAOOZBZJZPJESV-KBXCAEBGSA-N 344.842 3.164 70 50 EGIA CC1(C)C(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)C1(C)C 218380201 IWFFXCYTZLXOGF-VMBOVVBDSA-N 343.467 3.232 70 50 EGIA CN1C(=O)C[C@@H](CNC(=O)CCCc2cccs2)c2ccccc21 217669562 MIGFOPMARSCRIN-AWEZNQCLSA-N 342.464 3.337 70 50 EGIA Cc1cc([C@@H]2CCCCN2C(=O)CN2CCc3ccccc3C2)no1 218200323 XGFPFBRAHFSFQI-IBGZPJMESA-N 339.439 3.095 70 50 EGIA Cc1ccccc1CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218116883 HJRUCOQQCUBZDT-WOJBJXKFSA-N 339.435 3.028 70 50 EGIA CC(C)CCn1cnc2ccc(NC(=O)c3cccnc3)cc2c1=O 217942088 XJORJCBNXIQKOA-UHFFFAOYSA-N 336.395 3.090 70 50 EGIA biogenic CC(C)[C@@H](NC(=O)N1CC[C@H](CO)C1)c1ccc(C(F)(F)F)cc1 160451088 UVTSVFLKLRPTCN-SWLSCSKDSA-N 344.377 3.426 70 50 EGIA COc1ccc([C@H](NC(=O)[C@H]2CCNC2)c2ccccc2Cl)cc1 160421338 FAOOZBZJZPJESV-KSSFIOAISA-N 344.842 3.164 70 50 EGIA CC[C@H](NC(=O)Cc1c(C)[nH]c2ccccc12)c1cn2cccnc2n1 217196925 XPIXQLSQKCNYHD-INIZCTEOSA-N 347.422 3.329 70 50 EGIA Cc1nn(C)c(C)c1C(=O)N1CCCC[C@@H]1CCc1ccccn1 218248117 NQYFPUMRXSHANT-QGZVFWFLSA-N 326.444 3.059 70 50 EGIA CN(C[C@@H]1COCCO1)C(=O)CC(c1ccccc1)c1ccccc1 217794605 MUQLFDKGXXKWAS-LJQANCHMSA-N 339.435 3.082 70 50 EGIA C[Si](C)(C)c1cccc(Cl)c1OS(=O)(=O)C(F)(F)F 215869236 QFWUIGWOSVHZMC-UHFFFAOYSA-N 332.803 3.114 70 50 EGIA Cc1nc(C2CC(N)C2)cc(N2CC=C(c3ccc(F)cc3)CC2)n1 218626493 HGBPCKFNUVKHFX-UHFFFAOYSA-N 338.430 3.423 70 50 EGIA CCc1nc(CN2CCC(n3c(CC)nc4ccccc43)CC2)n[nH]1 160243795 QRWWABBZCUFFGO-UHFFFAOYSA-N 338.459 3.116 70 50 EGIA CCCC[C@@H](NC(=O)CC1=CSC2=NCCN12)c1cccnc1 218043530 YFOGJXOURYGCQX-OAHLLOKOSA-N 330.457 3.079 70 50 EGIA O=C(Nc1ccccc1Cc1ccccc1)N[C@H]1CCc2ncnn2C1 161189663 GDGZVQQMWBXIRT-KRWDZBQOSA-N 347.422 3.005 70 50 EGIA COc1cccc(SCC(=O)N(C)CCCn2nc(C)cc2C)c1 218497767 QKAIKAGZNOADAD-UHFFFAOYSA-N 347.484 3.149 70 50 EGIA C[C@@H](O)C[C@H]1CCCN1Cc1nc2cc(Br)ccc2[nH]1 160998568 IWDMUYKJJYNHEU-ZYHUDNBSSA-N 338.249 3.061 70 50 EGIA CC[C@@H]1[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]2CCO[C@@H]21 218290786 BLGKBPLODTZBJA-OCVGTWLNSA-N 327.346 3.178 70 50 EGIA CC[C@@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1nc(C)c(C)s1 218390181 DEYGNGTVHWJMNY-CQSZACIVSA-N 348.472 3.043 70 50 EGIA CC(C)CCn1cnc2ccc(NC(=O)c3ccco3)cc2c1=O 218518882 UKFIMJFUVAKPIA-UHFFFAOYSA-N 325.368 3.288 70 50 EGIA COC(=O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100008534 WCXPAYJKBTVUBC-UHFFFAOYSA-N 348.382 3.346 70 50 EGIA CCC[C@]1(CO)CCCN(C(=O)Cc2ccc(F)cc2Cl)C1 218729358 BTHPHYYWSIIDIU-KRWDZBQOSA-N 327.827 3.423 70 50 EGIA C[C@@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccnc1 160202245 QWRUSWCXFXMGIB-CXAGYDPISA-N 327.384 3.132 70 50 EGIA Cc1csc(-c2cccc(CNC(=O)[C@@H]3CC(=O)OC3(C)C)c2)n1 218524128 AOHGULURVJRDMG-AWEZNQCLSA-N 344.436 3.076 70 50 EGIA CN(C(=O)C1CCN(Cc2ccco2)CC1)C1Cc2ccccc2C1 218655901 DKLSSAFHCSXUMV-UHFFFAOYSA-N 338.451 3.117 70 50 EGIA CN(C[C@H]1COCCO1)C(=O)CC(c1ccccc1)c1ccccc1 217794685 MUQLFDKGXXKWAS-IBGZPJMESA-N 339.435 3.082 70 50 EGIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)n1 218238187 VCSWVDPRSQIYPN-SFHVURJKSA-N 340.471 3.279 70 50 EGIA Cc1nc2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc2[nH]1 218380030 YQXIMSKEDZQHDP-UHFFFAOYSA-N 338.411 3.207 70 50 EGIA O=C(CC1(n2cccc2)CCOCC1)Nc1cc(Cl)ccc1O 218291558 MNWYPUSMWGAVBZ-UHFFFAOYSA-N 334.803 3.382 70 50 EGIA CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC=CCC2)s1 160501402 IBYQKLLMMBGFHK-LLVKDONJSA-N 327.471 3.207 70 50 EGIA O=c1oc2c(-c3ccc(F)cc3)cc(OS(=O)(=O)F)cc2s1 1875368285 GRHVWYYDKYYLBS-UHFFFAOYSA-N 344.316 3.254 70 50 EGIA CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(Oc2ccccc2)c1 218639815 LTRGOZCKTJZSJE-QZTJIDSGSA-N 327.380 3.013 70 50 EGIA Cc1cc(=O)cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)o1 218699839 OSXLYDINNIKOIG-YOEHRIQHSA-N 329.371 3.229 70 50 EGIA O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ncc(F)cc1F 216999519 HICBMEXKOQDKAQ-QGZVFWFLSA-N 345.393 3.317 70 50 EGIA O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@@H](Cn2ccnn2)C1 161361903 WCSNJCUCBOUZJF-XMTFNYHQSA-N 330.476 3.123 70 50 EGIA O=C1C[C@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1c1ccccc1 217961271 SQWWDYYFGLBDIT-HKUYNNGSSA-N 349.434 3.188 70 50 EGIA biogenic CN(C)Cc1ccccc1CN(C)C(=O)[C@@H](O)c1cccc(Cl)c1 218348235 BSSSADJCVQIXJV-SFHVURJKSA-N 346.858 3.094 70 50 EGIA Cc1cccc(N2CCC(NC(=O)c3nn(C)c4ccccc34)CC2)c1 218647121 OBONEVITMLSERF-UHFFFAOYSA-N 348.450 3.281 70 50 EGIA O=S(=O)(Cl)c1ccc(Br)c(Br)c1 95698225 PBCQAUMKUSTMJD-UHFFFAOYSA-N 334.416 3.139 70 50 EGIA O=C(Cc1ccncc1)N1CCC[C@@H](COc2ccccc2F)C1 218776456 CSJGFRQYYZADEF-MRXNPFEDSA-N 328.387 3.081 70 50 EGIA COc1ccccc1N1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 161038437 OBJLPQAZZMIPCT-OAHLLOKOSA-N 335.407 3.185 70 50 EGIA Cc1ccc(Cl)c(CN2CCCn3nc([C@H](C)O)cc3C2)c1F 216924922 GSYXHVZRTHWOTO-LBPRGKRZSA-N 337.826 3.443 70 50 EGIA CN(Cc1ccon1)C(=O)c1ccc(CN2CCCCCC2)cc1 217663854 ZWXHJWROQHJPOR-UHFFFAOYSA-N 327.428 3.323 70 50 EGIA CCNc1nc(C(=O)NCc2ccc(CN3CCCC3)cc2)cs1 159741072 AZIWUFSTICBKTQ-UHFFFAOYSA-N 344.484 3.101 70 50 EGIA O=C1CCCCCN1CCC(=O)N1CCC[C@H]1c1ccc(F)cc1 217029975 JBBJYXMPBFCTSZ-KRWDZBQOSA-N 332.419 3.282 70 50 EGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](CC(C)C)CC(=O)O2 218103081 VZDLINYSSJQYLR-LLVKDONJSA-N 344.363 3.448 70 50 EGIA biogenic O=C([C@@H](O)c1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1 161264307 JZXAZSGNJJRSOD-SFHVURJKSA-N 335.407 3.003 70 50 EGIA CC[C@H](NC(=O)c1ncc(F)cc1F)c1nc2cc(C)ccc2[nH]1 218067121 HMCBZXFTOKDGTP-LBPRGKRZSA-N 330.338 3.426 70 50 EGIA O=C(c1cc2ccccc2o1)N1CCCO[C@H](CN2CCCCC2)C1 217596761 PXZHOHNCRJAHSU-QGZVFWFLSA-N 342.439 3.150 70 50 EGIA O=C(Nc1cccc2c(S(=O)(=O)Cl)cccc12)C(F)(F)F 95696984 DNPWLIPIIPDYRU-UHFFFAOYSA-N 337.706 3.268 70 50 EGIA O=C(Nc1ccccc1N1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 161129460 UOWJHJJPAKVBJE-QGTPRVQTSA-N 341.455 3.366 70 50 EGIA Cc1cccc([C@H]2CCCN2Cc2noc(C3CCOCC3)n2)n1 160386735 WPGYTPJIUVJJHT-MRXNPFEDSA-N 328.416 3.004 70 50 EGIA CCC(CC)(CN)C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 161189250 OJPORPINBAJMJM-UHFFFAOYSA-N 330.472 3.181 70 50 EGIA CSCc1ccc(C(=O)N2CCC[C@](CO)(CC(C)C)C2)o1 218142340 MSOWQHBALACFTH-KRWDZBQOSA-N 325.474 3.403 70 50 EGIA COc1cccc(CC(=O)N(C)Cc2ccccc2-n2cccn2)c1 218674827 HPZNGSWDKCVXDV-UHFFFAOYSA-N 335.407 3.082 70 50 EGIA CSCc1ccc(C(=O)N2CCC[C@@](CO)(CC(C)C)C2)o1 218142261 MSOWQHBALACFTH-QGZVFWFLSA-N 325.474 3.403 70 50 EGIA CO[C@@H]1COCC[C@H]1NC(=O)CC(c1ccccc1)c1ccccc1 218439727 BHKCYDLRDMNKFJ-WOJBJXKFSA-N 339.435 3.129 70 50 EGIA Cc1nc(CC(=O)N2CC=C(c3ccc(O)cc3)CC2)c(C)s1 160244399 QOQLRKHNZLLVGR-UHFFFAOYSA-N 328.437 3.324 70 50 EGIA COc1ccc([C@@H](NC(=O)NCc2ccco2)C(F)(F)F)cc1 161497035 FMSWZANHLQUMPZ-CYBMUJFWSA-N 328.290 3.391 70 50 EGIA Cc1n[nH]c([C@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)n1 217081189 PBBMUWZSBNDSFR-INIZCTEOSA-N 336.395 3.393 70 50 EGIA Cc1nc([C@@H](C)NC(=O)c2cccc(N3Cc4ccccc4C3)c2)n[nH]1 217957256 KRZVYQBNHZVJKA-CYBMUJFWSA-N 347.422 3.124 70 50 EGIA COc1ccc(C2=NN(c3ccccc3)B(c3ccc(C)cc3)N2)cc1 225690982 YYKPNVOOEDVDIO-UHFFFAOYSA-N 341.223 3.170 70 50 EGIA O=C(CC1CCNCC1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 160691982 PGYSPKJSARELEI-CQSZACIVSA-N 334.769 3.449 70 50 EGIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc2cc(F)ccc2[nH]1 217632228 JUESXFCYHGMJLU-SCLBCKFNSA-N 329.419 3.301 70 50 EGIA biogenic Cc1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)cc1C 196066679 LWWMREXCZFYEMG-UHFFFAOYSA-N 326.412 3.077 70 50 EGIA CCOCCOc1ccccc1C(=O)N(C)[C@H](C)c1c(C)n[nH]c1C 217502228 RATFQQZGTFBPAR-OAHLLOKOSA-N 345.443 3.275 70 50 EGIA CCc1cccc2c(C(C)=O)cn(CC(=O)N(C)Cc3ccon3)c12 217900381 YVUVBNMNYKATPD-UHFFFAOYSA-N 339.395 3.053 70 50 EGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CC[C@]2(C1)CC2(F)F 1875384040 BYEGJLPMPRVJMD-RNCFNFMXSA-N 349.330 3.044 70 50 EGIA Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cc1ccc(F)c(Cl)c1F 218012887 CKDFDMMASXNSBI-ZETCQYMHSA-N 327.762 3.378 70 50 EGIA COc1ccccc1N1CC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 161151495 BXSWHRXWAAKRFC-KRWDZBQOSA-N 336.435 3.122 70 50 EGIA COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1 217627101 LLNUURQWLWCGFN-CQSZACIVSA-N 342.347 3.053 70 50 EGIA biogenic Cc1oc(C(C)C)cc1C(=O)N1CCCO[C@@H](CN2CCCCC2)C1 218163281 TUPYJVCKKFDOMA-KRWDZBQOSA-N 348.487 3.428 70 50 EGIA CN(C)C(=O)C(C)(C)NCc1nc(-c2c(F)cccc2F)cs1 160558071 ZIOWYSOCMPGQDL-UHFFFAOYSA-N 339.411 3.045 70 50 EGIA O=C(CCCN1C[C@@H]2CC[C@H](C1)CN2CC1CC1)c1ccccc1 216897434 RUKOLZHLKXAJDA-QUCCMNQESA-N 326.484 3.456 70 50 EGIA COc1ccc(OC)c2c1cc(C(=O)Nc1cc(C)ccn1)n2C 218321841 LQOGFSVMNMZOEO-UHFFFAOYSA-N 325.368 3.151 70 50 EGIA O=C1CC[C@@H]2CN(c3cnccn3)CC[C@@H]2N1CCC1=CCCCC1 217008582 GRNDUJIDYRFSHR-MSOLQXFVSA-N 340.471 3.184 70 50 EGIA Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]3CSCN3)s2)cc1 159455533 MCIZHMKCWRCIIE-FZMZJTMJSA-N 347.509 3.267 70 50 EGIA CC[C@@H](NC(=O)c1cn(C)c2ccc(C)cc2c1=O)c1cccnc1 218741486 VTTLLPVOQXCRTK-QGZVFWFLSA-N 335.407 3.123 70 50 EGIA Cc1cc(CN(C)C(=O)CSc2ncnc3sc(C)cc23)on1 217183049 JQWNSGWBOFVBKQ-UHFFFAOYSA-N 348.453 3.047 70 50 EGIA Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 218559033 ZIOCRXOKURUWKN-INIZCTEOSA-N 338.411 3.464 70 50 EGIA C[Si@@](Cl)(O[Si@](C)(Cl)c1ccccc1)c1ccccc1 1857777462 AUWRUFAJYVQXSH-KDURUIRLSA-N 327.359 3.439 70 50 EGIA Cc1cc(C[C@@H](C)NC(=O)Nc2cc(Cl)ccc2N(C)C)n[nH]1 160549151 AZSRHGSOPZEQTO-SNVBAGLBSA-N 335.839 3.190 70 50 EGIA COc1ccc([C@H](NC(=O)[C@@H]2CCNC2)c2ccccc2Cl)cc1 160421083 FAOOZBZJZPJESV-KDOFPFPSSA-N 344.842 3.164 70 50 EGIA O=C(NCC1(CO)CCOCC1)Nc1ccccc1-c1ccccc1 159749788 SMPNWAPMGHWMJC-UHFFFAOYSA-N 340.423 3.264 70 50 EGIA O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@H]1CCCNC1 159977232 YYXVNPOTWOUEBQ-VIFPVBQESA-N 336.741 3.219 70 50 EGIA O=C(Cc1c[nH]c2ccccc12)NCc1nc(C2CCCCC2)no1 218342573 WCPHSXXVZZVCQP-UHFFFAOYSA-N 338.411 3.458 70 50 EGIA O=C1c2ccccc2CN1CCC(=O)N1CCCC[C@H]1c1cccnc1 218077543 VRCNKODLRCMKLC-IBGZPJMESA-N 349.434 3.181 70 50 EGIA biogenic C[C@H](O)C[C@@H]1CCCN1Cc1nc2cc(Br)ccc2[nH]1 160998196 IWDMUYKJJYNHEU-JQWIXIFHSA-N 338.249 3.061 70 50 EGIA O=C(NC[C@@H]1CCCCO1)c1cccc(CN2CCCCCC2)c1 217093301 OLZYMWZNVCUHLG-IBGZPJMESA-N 330.472 3.362 70 50 EGIA O=C(NCc1cnc2ccccc2c1)[C@@H](O)c1ccc(Cl)cc1 217707813 URGCALFEFMBPST-KRWDZBQOSA-N 326.783 3.238 70 50 EGIA Cc1cc(C[C@H](C)NC(=O)Nc2ccc(N(C)C)c(Cl)c2)n[nH]1 159923676 QPTSHIQASLQYHX-JTQLQIEISA-N 335.839 3.190 70 50 EGIA COc1ccc(NCc2ccc(OS(=O)(=O)F)cc2)cc1F 1875384607 HCLIQSSIAGUEQL-UHFFFAOYSA-N 329.324 3.040 70 50 EGIA COc1ccc(-c2sc(C)nc2C(=O)NCc2ccccn2)cc1 218550661 OVMFKJUUGXXRFT-UHFFFAOYSA-N 339.420 3.452 70 50 EGIA CCOc1ccc(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1 217863105 YVKNZDBOSHHBDD-PKOBYXMFSA-N 330.472 3.009 70 50 EGIA biogenic CCn1ccc2ccc(NC(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc21 160671181 VBOFVLLGLZYPCJ-GFCCVEGCSA-N 325.416 3.445 70 50 EGIA O=C(NC[C@H]1CCc2ccccc21)C1(c2ccccc2)CCNCC1 159731766 BYQOZQPIQNMIPU-GOSISDBHSA-N 334.463 3.154 70 50 EGIA Cc1nc(NC(=O)CCc2nc(C3CCCC3)no2)cc(C2CC2)n1 159955329 JCLKHAAEMROJBN-UHFFFAOYSA-N 341.415 3.274 70 50 EGIA CN1CCC(C(=O)NCCCC[C@H]2CCCO2)(c2ccccc2)CC1 218281326 SMHCXIDJTQCZOD-IBGZPJMESA-N 344.499 3.116 70 50 EGIA Cn1c(=O)[nH]c2ccc(C(=O)N(CC3CCCCC3)C3CC3)cc21 159803587 DLKCOYIUODKIAW-UHFFFAOYSA-N 327.428 3.052 70 50 EGIA CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 72399524 IIHPVYJPDKJYOU-UHFFFAOYSA-N 348.382 3.346 70 50 EGIA in-vitro COCc1ccc([C@@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2)o1 161296137 UMCRZBZFXNCECX-HNNXBMFYSA-N 331.416 3.355 70 50 EGIA O=C(Oc1ccccc1)c1cc(S(=O)(=O)F)c2ccccc2c1O 101013956 UIDCPHMPGJKQIF-UHFFFAOYSA-N 346.335 3.423 70 50 EGIA CSc1ccc(CC(=O)NCc2ccc3nc(C)[nH]c3c2)cc1 217528054 AFGAWWAKRYAZLQ-UHFFFAOYSA-N 325.437 3.452 70 50 EGIA CCn1ccc2cc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)ccc21 218124023 OHIXOXXKIQXXLI-QKLQHJQFSA-N 349.434 3.298 70 50 EGIA C[Si@H](CCCOC[C@]1(O[Si](C)(C)C)CO1)O[Si](C)(C)C 1857524500 QRWAUCWZRQPPOK-SCLBCKFNSA-N 336.653 3.176 70 50 EGIA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)[nH]n1 159890119 RRXNAUGHZNFZFO-LLVKDONJSA-N 335.429 3.049 70 50 EGIA Cc1[nH]c2ccccc2c1CCNC(=O)COCC(F)(F)C(F)F 217830202 VWKLCVXAVWEWGV-UHFFFAOYSA-N 346.324 3.052 70 50 EGIA c1ccc(-c2nc(N[C@@H]3CCc4ncnn4C3)nc3ccccc23)cc1 217044069 WGPVWOUBQYYVJF-OAHLLOKOSA-N 342.406 3.315 70 50 EGIA Cc1ccc(S[C@H](C)C(=O)NCCc2nc(C3CC3)no2)cc1 217636518 XJDZDTACDKCNTM-GFCCVEGCSA-N 331.441 3.095 70 50 EGIA Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1 218670038 VFLGDAMWFGMIEJ-AFMYVXGZSA-N 337.419 3.172 70 50 EGIA OCc1cc2n(n1)CCCN(CC(c1ccccc1)c1ccccc1)C2 217511287 FLYIJZZZXMNONT-UHFFFAOYSA-N 347.462 3.413 70 50 EGIA Cc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)cc1F 218425041 LBISCEAZLVEUHF-KRWDZBQOSA-N 328.387 3.351 70 50 EGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1ccccc1C1CC1 1875384910 JWINDJHUPXRKPO-UHFFFAOYSA-N 335.356 3.409 70 50 EGIA C[C@H](NC(=O)CSc1ccccn1)c1ccccc1-n1cccn1 218111558 RYCSVFZZIVJLCG-AWEZNQCLSA-N 338.436 3.237 70 50 EGIA CC[C@@H](NC(=O)Cc1c(C)[nH]c2ccccc12)c1cn2cccnc2n1 217196917 XPIXQLSQKCNYHD-MRXNPFEDSA-N 347.422 3.329 70 50 EGIA COCc1ccc([C@H]2CCCN2C(=O)[C@@H](C)n2nc(C)cc2C)o1 161494379 XQNCYULUPOGWEH-GDBMZVCRSA-N 331.416 3.164 70 50 EGIA CCOc1ccc(C(=O)N2CCCOc3c(cccc3OC)C2)o1 217173384 QCZGFIQRAXVOSZ-UHFFFAOYSA-N 331.368 3.112 70 50 EGIA CCCc1nc(C)c(CNC(=O)c2c(C)[nH]c(C(C)=O)c2C)s1 218159812 HBGILVPIDKNGGF-UHFFFAOYSA-N 333.457 3.482 70 50 EGIA O=C1CCC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)N1 217062220 SUPDEBMORYNWID-UHFFFAOYSA-N 334.419 3.238 70 50 EGIA CCN(C(=O)c1ccc2[nH]c(=O)n(C)c2c1)[C@H](C)c1ccc(F)cc1 159490763 KMSDDMBVPMWCLS-GFCCVEGCSA-N 341.386 3.229 70 50 EGIA O=C(COc1ncnc2ccccc12)N1CCCC[C@@H]1c1ccccn1 217213811 MYTVLTPPXQWDQB-GOSISDBHSA-N 348.406 3.157 70 50 EGIA O=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@H]1CCNC1 159624506 ZJHWETGXMGEFLR-AWEZNQCLSA-N 330.815 3.467 70 50 EGIA CSc1ccc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cc1 217912701 MTQGOCFHXCFSBI-KRWDZBQOSA-N 348.512 3.126 70 50 EGIA O=C(CC1(n2cccc2)CCOCC1)Nc1cc(F)c(F)c(F)c1 218394898 DLUHRRAARUVKKY-UHFFFAOYSA-N 338.329 3.440 70 50 EGIA C[Si](C)(C)C#Cc1cc(CBr)cc(S(=O)(=O)F)c1 685965955 QSYGHPYMWBAJRL-UHFFFAOYSA-N 349.297 3.469 70 50 EGIA Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)Cc1cc[nH]n1 218101319 QPRAYSFTNQILDS-UHFFFAOYSA-N 330.775 3.299 70 50 EGIA COc1cc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)ccc1OCC=C(C)C 217870146 KKUAHCYTEFHOGM-YRWFTTLQSA-N 331.456 3.243 70 50 EGIA O=C(NC[C@H]1CCCCO1)c1cccc(CN2CCCCCC2)c1 217093326 OLZYMWZNVCUHLG-LJQANCHMSA-N 330.472 3.362 70 50 EGIA C[C@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccnc1 160202099 QWRUSWCXFXMGIB-SUMWQHHRSA-N 327.384 3.132 70 50 EGIA Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](C(C)C)CC(=O)O2 217994745 WZKRJKOUXKBDQI-MRXNPFEDSA-N 341.407 3.154 70 50 EGIA biogenic CC[C@@H](NC(=O)CCC(=O)c1cccc2ccccc12)C1CC(O)C1 218017566 XZGFZLOPMICFJY-LADRWXRNSA-N 339.435 3.468 70 50 EGIA C[C@H](Oc1cccc(CO)c1)C(=O)N1CCC(c2ccccc2)CC1 161290164 KIIVJYXOUSFUID-INIZCTEOSA-N 339.435 3.352 70 50 EGIA C[C@@H](O)C[C@@H]1CCCN1Cc1nc2cc(Br)ccc2[nH]1 160998332 IWDMUYKJJYNHEU-PWSUYJOCSA-N 338.249 3.061 70 50 EGIA CCc1ccc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)s1 218595360 KJUDRLQGNULCMF-UHFFFAOYSA-N 340.492 3.236 70 50 EGIA Cc1cc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)cc(C)n1 217355198 LSFBULOYKXKRFJ-IBGZPJMESA-N 338.455 3.050 70 50 EGIA COc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c(F)c1 218264808 OUENMDRZGCBESJ-CYBMUJFWSA-N 340.306 3.382 70 50 EGIA CC(C)c1cc(S(=O)(=O)F)ccc1OCCOC(F)(F)F 675066591 RQADSQXAACKGOT-UHFFFAOYSA-N 330.299 3.383 70 50 EGIA COc1cccc(CNc2ccc(F)cc2)c1OS(=O)(=O)F 2325890451 NGGCRBQBRRYKAD-UHFFFAOYSA-N 329.324 3.040 70 50 EGIA C[C@@H](Cc1cnccn1)NC(=O)C(c1ccccc1)c1ccccc1 218738274 GYMITHKUASPNBE-INIZCTEOSA-N 331.419 3.356 70 50 EGIA Cc1nc2cc(CNC(=O)c3ccccc3N3CCCC3)ccc2n1C 217041174 GXHXMZKRNHDONM-UHFFFAOYSA-N 348.450 3.412 70 50 EGIA CCc1ccc([C@@H](CO)NCc2cn3cc(Cl)ccc3n2)cc1 160750450 YCBLYCMLRUDCSO-QGZVFWFLSA-N 329.831 3.373 70 50 EGIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(F)c(F)c1F 218311276 PSESGVTXYBYOEH-UHFFFAOYSA-N 338.329 3.440 70 50 EGIA Cc1csc(NC(=O)CCC(=O)Nc2cccc3[nH]ccc23)n1 218378061 AUWRRVDUCCXQLX-UHFFFAOYSA-N 328.397 3.290 70 50 EGIA COc1cc(OC)cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1 218403697 RHZBYZGBLBFCHJ-RDGPPVDQSA-N 345.439 3.027 70 50 EGIA O=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@@H]1CCNC1 159624354 ZJHWETGXMGEFLR-CQSZACIVSA-N 330.815 3.467 70 50 EGIA CNC(=O)Cc1nc(CN2c3ccccc3S[C@@H](C)[C@@H]2C)cs1 161138850 BHVYXPNTNWWORW-RYUDHWBXSA-N 347.509 3.321 70 50 EGIA CCCOc1ccc2c(c1)CCN(C(=O)[C@@H](C)C1CCOCC1)C2 160756037 YGFDSEPRIQGHLJ-HNNXBMFYSA-N 331.456 3.423 70 50 EGIA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cc1ccc(F)c(Cl)c1F 218012818 CKDFDMMASXNSBI-SSDOTTSWSA-N 327.762 3.378 70 50 EGIA CCN(CC)C[C@@H]1CCCN1Cc1cc(C)ccc1-n1cccn1 218606402 UTXPLGXTCZZZPN-IBGZPJMESA-N 326.488 3.487 70 50 EGIA CC(=O)c1ccc2c(c1O)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 217862937 CLGBQHYORSZTKU-HNNXBMFYSA-N 336.343 3.464 70 50 EGIA biogenic O=S(=O)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 313540441 KJSWZMORWSYZLV-DLBZAZTESA-N 337.391 3.093 70 50 EGIA Cc1nc2cc(CNC(=O)[C@@H](C)n3ccnc3C(C)C)ccc2n1C 217174997 GKQQHLAFYNIXAO-CYBMUJFWSA-N 339.443 3.079 70 50 EGIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)n1 218356329 VULJEYDCIZTYER-SFHVURJKSA-N 338.455 3.175 70 50 EGIA Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 159480881 FHWXEWHOSXFNNF-UHFFFAOYSA-N 326.400 3.442 70 50 EGIA O=C1C[C@H](c2c(Cl)nc3sccn23)c2cc3c(cc2O1)OCO3 218161253 LMYTXHCQCUPUJO-QMMMGPOBSA-N 348.767 3.219 70 50 EGIA COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)n2nc(C)cc2C)o1 161494613 XQNCYULUPOGWEH-ZBFHGGJFSA-N 331.416 3.164 70 50 EGIA C[C@H](Sc1ccncc1)C(=O)Nc1cccc(N2CCCC2=O)c1 159982605 QTYKJXWKEVOUAC-ZDUSSCGKSA-N 341.436 3.328 70 50 EGIA Cc1cc2nc(CN(C)C(=O)[C@H](O)C3CCCCC3)[nH]c2cc1C 217903395 VHYNRMSPGOWAFK-GOSISDBHSA-N 329.444 3.079 70 50 EGIA CC(C)CCn1cnc2ccc(NC(=O)c3ccccn3)cc2c1=O 218549677 GDYNKMURTHEIOG-UHFFFAOYSA-N 336.395 3.090 70 50 EGIA CCS[C@H]1CCC[C@H]1NC(=O)c1ccncc1Br 159708170 LUAKNQBZWTUXEY-NEPJUHHUSA-N 329.263 3.248 70 50 EGIA O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 218702973 VXNOGJQCWOBZKC-OAQYLSRUSA-N 349.478 3.277 70 50 EGIA CS[C@H](C)CC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 160447709 KVMIPTUFZKGGTP-GFCCVEGCSA-N 342.455 3.187 70 50 EGIA Cc1n[nH]c([C@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)n1 217851535 GACGDSLPFMZEBV-CYBMUJFWSA-N 330.457 3.421 70 50 EGIA O=C(c1csc([C@@H]2CCCO2)n1)N1CCc2ccc(F)cc2C1 160665348 LJUALGVGLBBRDD-HNNXBMFYSA-N 332.400 3.332 70 50 EGIA C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCC(c2ccccc2)CC1 161290273 KIIVJYXOUSFUID-MRXNPFEDSA-N 339.435 3.352 70 50 EGIA CN(CCCSc1ccccc1)c1cc(C2CC(O)C2)ncn1 218156494 KBAOIUYZSIFDGC-UHFFFAOYSA-N 329.469 3.334 70 50 EGIA CNc1cc([C@H]2C[C@@H](NC(=O)c3ccc(Cl)c(C)c3)C2)ncn1 218319557 KBRWKWCAJOKNAL-JOCQHMNTSA-N 330.819 3.156 70 50 EGIA CC[C@@H](O)c1cc2n(n1)CCN(Cc1cccc3c(C)c(C)[nH]c13)C2 217865706 QMRONSSIRASKOV-LJQANCHMSA-N 338.455 3.440 70 50 EGIA O[C@H](c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2)C1CC1 218548146 RPOFLMLGXUOVEN-INIZCTEOSA-N 337.876 3.447 70 50 EGIA Cc1cc2cc(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)ccc2o1 217177868 SMAYRZAAZHLHEO-ZDUSSCGKSA-N 339.395 3.037 70 50 EGIA CC[C@H](NC(=O)c1csc(NC)n1)c1nc2cc(C)ccc2[nH]1 217006082 KOSYTIPAUYUFOH-JTQLQIEISA-N 329.429 3.251 70 50 EGIA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ncc(F)cc1F 216999510 HICBMEXKOQDKAQ-KRWDZBQOSA-N 345.393 3.317 70 50 EGIA CSc1ncc(CNC(=O)c2ccc(N3CCCCC3)cc2)n1C 218735642 DRNOTKCOIDHTRY-UHFFFAOYSA-N 344.484 3.062 70 50 EGIA Cc1cccc([C@@H](C(=O)NCc2ccc3nc(C)[nH]c3c2)N(C)C)c1 217666902 VIUAGJZIVOMGTD-IBGZPJMESA-N 336.439 3.099 70 50 EGIA COc1ccc([C@H]2CCCN2C(=O)Cn2c(C)ccc2C)c(OC)c1 218498908 IWDJSCQEFGMVEP-GOSISDBHSA-N 342.439 3.486 70 50 EGIA COc1ccc2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)[nH]c2c1 217654033 XJUXCVHKXDXMQX-HNAYVOBHSA-N 341.455 3.171 70 50 EGIA biogenic CNC[C@H]1CCCN1C(=O)C[C@H](C)c1ccccc1C(F)(F)F 161356731 JZFKTFNCILCSAP-QWHCGFSZSA-N 328.378 3.409 70 50 EGIA CC(C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 218398882 GEHYJDUIYAKJGW-CYBMUJFWSA-N 342.226 3.130 70 50 EGIA O=S(=O)(Cl)c1cc(Br)c(Br)s1 95713640 WJYGHWXWQSCONR-UHFFFAOYSA-N 340.445 3.201 70 50 EGIA CCc1nc([C@@H](C)n2nc(C)cc2C)n(Cc2ccc(OC)cc2)n1 217805546 QGJPPDUGAHOEBM-OAHLLOKOSA-N 339.443 3.320 70 50 EGIA CCCCn1ncc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1C 160189403 YKLQOIQCKKXSMB-MRXNPFEDSA-N 384.461 3.511 70 50 EGIA O=C(Nc1ccccn1)Nc1ccc(S(=O)(=O)Cl)cc1Cl 95698247 GOFLQUBUKQLESC-UHFFFAOYSA-N 346.195 3.307 70 50 EGIA Cc1ccc2c(=O)cc(C(=O)N(C)CCc3scnc3C)oc2c1 218015349 YTCWRNVCBXQXJC-UHFFFAOYSA-N 342.420 3.181 70 50 EGIA CC(=O)c1ccc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)s1 218437672 RQFZKOAMXPXADD-JTQLQIEISA-N 332.429 3.148 70 50 EGIA Cn1c(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc2ccccc21 217172788 SLNVDCMRYKQVFR-UHFFFAOYSA-N 330.391 3.294 70 50 EGIA CC1(C)CCc2cc(CC(=O)N[C@H](CO)c3ccccc3)ccc2O1 217933649 NHEXQNDRDKGELD-GOSISDBHSA-N 339.435 3.183 70 50 EGIA biogenic Cc1oc(C(C)C)cc1C(=O)N1CCCO[C@H](CN2CCCCC2)C1 218163338 TUPYJVCKKFDOMA-QGZVFWFLSA-N 348.487 3.428 70 50 EGIA CN(CCc1ccncc1)C(=O)CCC(=O)NC1CCCCCCC1 217081098 CXSUIGDWQRABGX-UHFFFAOYSA-N 345.487 3.092 70 50 EGIA O=C(Nc1cccc(-n2ccnc2)c1)c1ccc(C(=O)NC2CC2)cc1 159975430 MTWBRCSOTMXFPG-UHFFFAOYSA-N 346.390 3.017 70 50 EGIA c1ccc(CO[C@@H]2CCOC[C@H]2Nc2ccc3ccccc3n2)nc1 218132112 KYJLTPKQWXXTKQ-RTBURBONSA-N 335.407 3.416 70 50 EGIA Cc1ccc(Cl)c(CN2CCCn3nc([C@@H](C)O)cc3C2)c1F 216924898 GSYXHVZRTHWOTO-GFCCVEGCSA-N 337.826 3.443 70 50 EGIA O=C([C@H](O)c1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1 161265923 JZXAZSGNJJRSOD-GOSISDBHSA-N 335.407 3.003 70 50 EGIA CCOc1cc(NC(=O)[C@H](O)c2ccccc2Cl)ccc1OC 159978219 MEZZUPIEGOPHMT-MRXNPFEDSA-N 335.787 3.419 70 50 EGIA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC[C@H]1c1ccccn1)cn2C 217172621 FYIJSFZJSNLJRX-IBGZPJMESA-N 347.418 3.219 70 50 EGIA CNC(=O)Cc1nc(CN2c3ccccc3S[C@H](C)[C@@H]2C)cs1 161139060 BHVYXPNTNWWORW-NWDGAFQWSA-N 347.509 3.321 70 50 EGIA Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)c(C)o1 218623115 YLHIJYRNVRHZBB-SJORKVTESA-N 333.359 3.002 70 50 EGIA Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1n[nH]c(C(C)C)n1 218176696 RRLRWLMMBBVFLN-UHFFFAOYSA-N 338.415 3.042 70 50 EGIA O=C1OCCC1=P(c1ccccc1)(c1ccccc1)c1ccccc1 95793022 JUKRJGQYUNADDD-UHFFFAOYSA-N 346.366 3.100 70 50 EGIA Cc1cc(F)c(OS(=O)(=O)C(F)(F)F)cc1Br 259431661 SRJJQJWYFZHTRL-UHFFFAOYSA-N 337.088 3.125 70 50 EGIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc2c(Cl)cccc12 218366221 FIHPQTYOXUSKKF-IDCNUPLLSA-N 345.826 3.273 70 50 EGIA Cc1noc(C)c1C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C 218206666 XXDCFURSCLCGOT-INIZCTEOSA-N 326.400 3.305 70 50 EGIA O=C(NCc1cnc2ccccc2c1)[C@H](O)c1ccc(Cl)cc1 217707909 URGCALFEFMBPST-QGZVFWFLSA-N 326.783 3.238 70 50 EGIA Cn1nc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)Cl)s1 95681991 FTIBGHOWVJVQPO-UHFFFAOYSA-N 330.740 3.095 70 50 EGIA Cc1oc2ccccc2c1CNC(=O)c1ccc(S(=O)(=O)F)cc1 864241030 HRXRSRWPRJOJMN-UHFFFAOYSA-N 347.367 3.329 70 50 EGIA O=C1C[C@@H](c2cccc(OC(F)F)c2)c2cc3c(cc2O1)OCO3 218368560 UFHYUZCZGCRTKF-NSHDSACASA-N 334.274 3.458 70 50 EGIA COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)c(OC)c1 218218095 HQRDIGOOBXHLET-UHFFFAOYSA-N 344.411 3.040 70 50 EGIA Cc1n[nH]c(C)c1CCNC(=O)CSCc1ccccc1Cl 217938768 UFAFBMKPBZDFKR-UHFFFAOYSA-N 337.876 3.272 70 50 EGIA Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)c1 217916504 ZIZPRFGHTVADOM-INIZCTEOSA-N 341.407 3.188 70 50 EGIA Cc1ccc(C)c(-n2ncc(NC(=O)NCC3(O)CCCC3)c2C)c1 160741978 UDCLSRYUIWNLSS-UHFFFAOYSA-N 342.443 3.224 70 50 EGIA COc1ccnc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)c1 218296386 QGWDWGPIDMVPLY-LJQANCHMSA-N 339.439 3.047 70 50 EGIA Cc1csc(-c2cccc(CNC(=O)[C@H]3CC(=O)OC3(C)C)c2)n1 218524053 AOHGULURVJRDMG-CQSZACIVSA-N 344.436 3.076 70 50 EGIA CSCc1ccc(C(=O)NCCn2nc(C(F)(F)F)cc2C)o1 218122427 ZRGIEQHRHHXZTM-UHFFFAOYSA-N 347.362 3.096 70 50 EGIA Cc1nc(-c2cccc(NC(=O)c3ccc(CN(C)C)cc3)c2)n[nH]1 160681863 NTDVMYZMQQNPKZ-UHFFFAOYSA-N 335.411 3.094 70 50 EGIA COCCN(Cc1cccc2ccccc12)C(=O)[C@H]1CCC[C@H](O)C1 218017347 BZRZMADIOWONBG-HKUYNNGSSA-N 341.451 3.366 70 50 EGIA O=C(CCC(=O)c1ccccc1)N[C@@H](Cn1cccn1)c1ccccc1 218763944 OZNGPWKIIMXBFT-IBGZPJMESA-N 347.418 3.404 70 50 EGIA Cn1cc(C(=O)NCCc2noc(C3CCCC3)n2)c2ccccc21 217793058 AUOBSKDQBYIDED-UHFFFAOYSA-N 338.411 3.191 70 50 EGIA O=C1C[C@H](c2cccc(OC(F)F)c2)c2cc3c(cc2O1)OCO3 218368630 UFHYUZCZGCRTKF-LLVKDONJSA-N 334.274 3.458 70 50 EGIA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccncc1F 217043185 IDRJTHGMNVMJNF-SFHVURJKSA-N 327.403 3.178 70 50 EGIA Cc1noc2nc3c(c(C(=O)NCc4cccc(F)c4)c12)CCC3 218223637 ZMHVVAACNWPXON-UHFFFAOYSA-N 325.343 3.089 70 50 EGIA O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@@H]1CCCNC1 159977130 YYXVNPOTWOUEBQ-SECBINFHSA-N 336.741 3.219 70 50 EGIA CNC(=O)Cc1nc(CN2c3ccccc3S[C@@H](C)[C@H]2C)cs1 161138675 BHVYXPNTNWWORW-NEPJUHHUSA-N 347.509 3.321 70 50 EGIA C[C@H](c1cccs1)N(CCS(=O)(=O)F)Cc1ccncc1 1875382624 JQACTFBVUWRXRC-GFCCVEGCSA-N 328.434 3.006 70 50 EGIA COc1ccc(B(O)c2ccc(OC)c3ccccc23)c2ccccc12 170019532 YFWYPBVTZIYAPA-UHFFFAOYSA-N 342.203 3.108 70 50 EGIA CCNCC1CCN(C(=O)c2occc2COc2ccccc2)CC1 161113860 XQRRDOQDUZGSSG-UHFFFAOYSA-N 342.439 3.320 70 50 EGIA CC1(C)Cc2cccc(NCc3cc(S(=O)(=O)F)ccn3)c2O1 1875382593 IEKCPZTYPRKGRJ-UHFFFAOYSA-N 336.388 3.065 70 50 EGIA CC(C)c1nccn1[C@H](C)C(=O)NCc1ccc2c(c1)CCCO2 218293280 PRHXDCAWKGMIQQ-CQSZACIVSA-N 327.428 3.209 70 50 EGIA C[C@H]1CCC[C@H](C(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1 161268637 ZPFFPTPHKCMPGQ-GJZGRUSLSA-N 334.485 3.249 70 50 EGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@H]1CC[C@]2(C1)CC2(F)F 1875384045 BYEGJLPMPRVJMD-ZANVPECISA-N 349.330 3.044 70 50 EGIA CCn1nc(C)c([C@H](C)NC(=O)Cc2ccc(O)c(Cl)c2)c1C 218196482 AVLCAGQBLGHBGC-JTQLQIEISA-N 335.835 3.299 70 50 EGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](C(C)C)CC(=O)O2 217861189 KXLCYTVROWTNLW-JTQLQIEISA-N 330.336 3.058 70 50 EGIA biogenic O=C(Nc1ccccc1N1CCCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 161129679 UOWJHJJPAKVBJE-OLMNPRSZSA-N 341.455 3.366 70 50 EGIA O=C(Nc1cccc2c(S(=O)(=O)Cl)cccc12)N1CCCC1 95696996 ZRBBEIULSJISJY-UHFFFAOYSA-N 338.816 3.395 70 50 EGIA [N-]=[N+]=NCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 110715780 MXTGUBUPWMDFOW-UHFFFAOYSA-N 325.193 3.005 70 50 EGIA O=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)N1CCCCC1 95698254 KEFCOIPQTSBJBD-UHFFFAOYSA-N 337.228 3.285 70 50 EGIA Cc1n[nH]c([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)n1 217851447 GACGDSLPFMZEBV-ZDUSSCGKSA-N 330.457 3.421 70 50 EGIA CC(C)n1ccc2cc(C(=O)NCCc3nnc4ccccn34)ccc21 218160123 KZWSCJDFAHAGNY-UHFFFAOYSA-N 347.422 3.237 70 50 EGIA O=C(Cc1cccc(C(F)F)c1)Nc1cccc(S(=O)(=O)F)c1 460088960 DOLSPLVXFGSANK-UHFFFAOYSA-N 343.326 3.464 70 50 EGIA COc1ccc([C@@H]2CCCN2C(=O)C2=C(C)OCCC2)cc1OC 161490250 YNRAUERNFBPWJQ-INIZCTEOSA-N 331.412 3.452 70 50 EGIA COc1ccc([C@@H](NC(=O)[C@@H]2CCNC2)c2ccccc2Cl)cc1 160421212 FAOOZBZJZPJESV-RDTXWAMCSA-N 344.842 3.164 70 50 EGIA O=C(c1ccccc1OC(F)F)N1CCC[C@H](Cn2ccnc2)C1 218106344 WCCUFEVUUZYISS-CYBMUJFWSA-N 335.354 3.037 70 50 EGIA O=C(c1cc2ccccc2o1)N1CCCO[C@@H](CN2CCCCC2)C1 217596668 PXZHOHNCRJAHSU-KRWDZBQOSA-N 342.439 3.150 70 50 EGIA CC(C)Oc1cc(CNC(=O)c2csc([C@@H]3CCCO3)n2)ccn1 161430865 DBYFSAJCGIKTHY-AWEZNQCLSA-N 347.440 3.107 70 50 EGIA O=C(C1CCC(F)(F)CC1)N1CCN(c2ccc(Cl)cn2)CC1 160783379 ARIKVAVHXWPXQJ-UHFFFAOYSA-N 343.805 3.209 70 50 EGIA CCCCS[C@H](C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385226 OZAHSHYSMCQRBL-SNVBAGLBSA-N 335.422 3.140 70 50 EGIA COc1ccc(N(C)C(=O)c2cnc(-c3ncccn3)s2)cc1F 159516466 SPCMRTYZDCTGPG-UHFFFAOYSA-N 344.371 3.024 70 50 EGIA COCCCC1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1 217085702 ALUQAOLIJMIXBF-INIZCTEOSA-N 325.836 3.039 70 50 EGIA CSCc1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)o1 217981337 WNRHRSNKYIQJNV-UHFFFAOYSA-N 327.409 3.259 70 50 EGIA CCC1(C)CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1 1875382678 LXELNIIVOXWLJN-UHFFFAOYSA-N 344.408 3.324 70 50 EGIA CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OS(=O)(=O)F 1875374744 ZVWOEZOMRSZNDU-NSHDSACASA-N 333.381 3.256 70 50 EGIA Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Cl 100104859 ZTYVPQJIYIFDSJ-UHFFFAOYSA-N 330.740 3.393 70 50 EGIA CCOc1ccccc1CNC(=O)c1c(-c2ccccn2)noc1C 161010725 WLTZSNBBWXMFBN-UHFFFAOYSA-N 337.379 3.374 70 50 EGIA O=C(CCC(F)(F)F)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 217165883 WXGZOVBTDIYOLE-CVEARBPZSA-N 340.389 3.452 70 50 EGIA O=C(Cc1c[nH]c2ccccc12)Nc1n[nH]c(CCc2ccccc2)n1 218240049 YIGUHVRKHSNYFM-UHFFFAOYSA-N 345.406 3.252 70 50 EGIA CO[C@@H]1CCOC[C@H]1NC1CCN(c2ccc(C)c(Cl)c2)CC1 217686154 AQYCAQFYJHKLLZ-QZTJIDSGSA-N 338.879 3.011 70 50 EGIA CC(=O)NC1CCC(Nc2ccc(C)c(OCC(F)F)c2)CC1 161166664 VOZAGWUBUWDXBY-UHFFFAOYSA-N 326.387 3.498 70 50 EGIA C[Si@@H](CCCOC[C@@]1(O[Si](C)(C)C)CO1)O[Si](C)(C)C 1857524498 QRWAUCWZRQPPOK-ACJLOTCBSA-N 336.653 3.176 70 50 EGIA Cc1ccc(C2(C(=O)N[C@@H]3CCCN(Cc4cccnc4)C3)CC2)cc1 218730579 XMDPIQNEWWCOIL-HXUWFJFHSA-N 349.478 3.202 70 50 EGIA C[C@@H](Sc1ccncc1)C(=O)Nc1cccc(N2CCCC2=O)c1 159982719 QTYKJXWKEVOUAC-CYBMUJFWSA-N 341.436 3.328 70 50 EGIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccccc2c1 218374309 CSZXUQCRIQINOU-MOPGFXCFSA-N 340.423 3.105 70 50 EGIA O=C(Nc1cccnc1)Nc1ccc(S(=O)(=O)Cl)cc1Cl 95698246 QBEGMZIMAWYIMU-UHFFFAOYSA-N 346.195 3.307 70 50 EGIA C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(Br)o1 160700901 FTCBMRIROXKHAW-MRVPVSSYSA-N 342.214 3.495 70 50 EGIA C[C@@H](c1cccs1)N(CCS(=O)(=O)F)Cc1ccncc1 1875382625 JQACTFBVUWRXRC-LBPRGKRZSA-N 328.434 3.006 70 50 EGIA CSc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 216820488 NBXWFTNZQWDJTR-HOTGVXAUSA-N 330.497 3.355 70 50 EGIA CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)Nc2ccn(C)n2)c1 159800216 ZKSHCQHUPSYHLF-UHFFFAOYSA-N 349.822 3.198 70 50 EGIA O=C(c1cccc(F)c1F)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 216756301 JORZAKPWRRXQID-GJZGRUSLSA-N 334.410 3.301 70 50 EGIA O=C(Cc1ccc(O)c(Cl)c1)NCC1(N2CCCC2)CCCC1 218474225 SWJDXFBYGVFTAG-UHFFFAOYSA-N 336.863 3.113 70 50 EGIA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(OCc2ccccc2F)cc1 218584451 ZSUYTHTUTHUTJE-NEWSRXKRSA-N 341.382 3.312 70 50 EGIA Cc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N(C)C 218151599 MLQBTTNZTXLISW-VIKVFOODSA-N 340.389 3.426 70 50 EGIA O=S(=O)(F)c1c(Br)ccc(C(F)(F)F)c1F 1857779361 JHPSNBZJTYUCAT-UHFFFAOYSA-N 325.052 3.265 70 50 EGIA O=C1OCC2(CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)O1 218414730 IMQGCAROOXHYAA-UHFFFAOYSA-N 342.395 3.019 70 50 EGIA O=C(CCCCc1ccccc1)N[C@H]1CCOC2(CCOCC2)C1 217113573 UBRHCSVIVOPVGI-SFHVURJKSA-N 331.456 3.244 70 50 EGIA O=C(NC1CCCC1)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 218398772 VBLPEJAOJPEFTQ-UHFFFAOYSA-N 346.814 3.280 70 50 EGIA COc1ccc(C(=O)c2cc3cccnc3s2)cc1NC(C)=O 218361965 SPOKGSSPDHUIHA-UHFFFAOYSA-N 326.377 3.494 70 50 EGIA CCc1nc(CNC(=O)N2CCC(c3cnn(CC)c3)CC2)cs1 159398564 IIYDROJGLYLWJB-UHFFFAOYSA-N 347.488 3.011 70 50 EGIA O=C(CCCCc1ccccc1)N[C@@H]1CCOC2(CCOCC2)C1 217113556 UBRHCSVIVOPVGI-GOSISDBHSA-N 331.456 3.244 70 50 EGIA O=S(=O)(F)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 1875368369 LZYYOCZZGFSGBR-UHFFFAOYSA-N 337.250 3.486 70 50 EGIA Cc1ccc(C)c(-n2ncc(NC(=O)NC[C@@H]3CCCO3)c2C)c1 160885058 UBMISORKGQCWEI-HNNXBMFYSA-N 328.416 3.098 70 50 EGIA C[C@H](C(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1cccc(F)c1 1875385035 LJKJBYFXQXDQHV-JTQLQIEISA-N 341.335 3.161 70 50 EGIA OC1CC(c2cc(NCc3cccc(C(F)(F)F)c3F)ncn2)C1 218452726 OIRZPPGUGWJNIV-UHFFFAOYSA-N 341.308 3.485 70 50 EGIA Cc1nc2cc(CNC(=O)[C@H](C)n3ccnc3C(C)C)ccc2n1C 217175003 GKQQHLAFYNIXAO-ZDUSSCGKSA-N 339.443 3.079 70 50 EGIA COc1ccc(C(C)(C)C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 160644934 DMUBZTSPZDLSLB-SFHVURJKSA-N 340.423 3.048 70 50 EGIA CCc1ccc([C@H](CO)NCc2cn3cc(Cl)ccc3n2)cc1 160750550 YCBLYCMLRUDCSO-KRWDZBQOSA-N 329.831 3.373 70 50 EGIA C[C@@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1cccnc1 160202518 QWRUSWCXFXMGIB-DYVFJYSZSA-N 327.384 3.132 70 50 EGIA Cc1nc(-c2ccncc2)sc1C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 218257539 YGVGZBUWXZIGMK-QEJZJMRPSA-N 325.437 3.456 70 50 EGIA O=C(c1scc2c1CCCC2)N1CC[C@](O)(c2ccccc2)C1 218417140 JUZFKDWDWJPNAO-LJQANCHMSA-N 327.449 3.361 70 50 EGIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3nn(C(C)C)cc3c2)n[nH]1 161251241 IDTQDQSXORUOCS-GFCCVEGCSA-N 340.431 3.401 70 50 EGIA COc1cccc2[nH]c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc12 217660893 BJBIPMBBRIDQLP-KBXCAEBGSA-N 341.455 3.171 70 50 EGIA biogenic CN(C)Cc1ccccc1CN(C)C(=O)[C@@H]1CCc2ccccc2O1 218210174 PFEDWZUWZDEJAS-FQEVSTJZSA-N 338.451 3.100 70 50 EGIA Cc1csc(CCCNC(=O)[C@@H]2CCCN2Cc2ccccc2)n1 218621075 AMMSQONTEFPIQI-KRWDZBQOSA-N 343.496 3.165 70 50 EGIA COCCCC1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1 217085724 ALUQAOLIJMIXBF-MRXNPFEDSA-N 325.836 3.039 70 50 EGIA CCCN(CC)c1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cn1 159631812 YBQFWTKVACRMCV-UHFFFAOYSA-N 340.383 3.005 70 50 EGIA O=S(=O)(Cl)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 95696869 YHIKQCOKDZJLOK-UHFFFAOYSA-N 345.129 3.472 70 50 EGIA CC(C)c1nc(NC(=O)c2cn(C(C)C)c(=O)c3ccccc23)n[nH]1 218197176 UNNMFZXJCQXEPN-UHFFFAOYSA-N 339.399 3.076 70 50 EGIA CSc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)ccc1F 160625261 CIJLABZPELHKBW-UHFFFAOYSA-N 346.427 3.216 70 50 EGIA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cccc2c1OCCO2 218517374 OHRPROBLXDQDRX-LBPRGKRZSA-N 330.409 3.030 70 50 EGIA Clc1ccc(CCN(Cc2ccncc2)C[C@@H]2[C@H]3CNC[C@H]32)cc1 217008079 BBQXBVIJZCMQSA-PMOLBWCYSA-N 341.886 3.245 70 50 EGIA O=C(NC[C@H]1OCCc2ccccc21)c1ccccc1N1CCCC1 217190224 AODMEEPXZSBMAH-HXUWFJFHSA-N 336.435 3.331 70 50 EGIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(N(C)C)c(Cl)c2)n[nH]1 159923547 QPTSHIQASLQYHX-SNVBAGLBSA-N 335.839 3.190 70 50 EGIA O=C(Nc1ccc2c[nH]nc2c1)c1cc(N2CCCC2=O)ccc1F 159764802 BYLCFDUGWBISNB-UHFFFAOYSA-N 338.342 3.081 70 50 EGIA COc1ccc([C@@H]2CCCN2C(=O)Cn2c(C)ccc2C)c(OC)c1 218498841 IWDJSCQEFGMVEP-SFHVURJKSA-N 342.439 3.486 70 50 EGIA Cc1cc2cc(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)ccc2o1 218650273 KJSDDGGDANBQTH-AEFFLSMTSA-N 329.396 3.055 70 50 EGIA CCCCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C)cc1 218382468 ICXQAHUPUAIELK-UHFFFAOYSA-N 328.412 3.147 70 50 EGIA CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OS(=O)(=O)F 1875374743 ZVWOEZOMRSZNDU-LLVKDONJSA-N 333.381 3.256 70 50 EGIA COCc1ccc([C@H]2CCCN2C(=O)[C@H](C)n2nc(C)cc2C)o1 161494255 XQNCYULUPOGWEH-GOEBONIOSA-N 331.416 3.164 70 50 EGIA C[Si@](Cl)(O[Si@](C)(Cl)c1ccccc1)c1ccccc1 1857777463 AUWRUFAJYVQXSH-OALUTQOASA-N 327.359 3.439 70 50 EGIA COc1ccc2[nH]c(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)cc2c1 217381626 YHICVXUBRJWBOF-UHFFFAOYSA-N 346.390 3.292 70 50 EGIA CC(C)c1cc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cs1 218362375 ZKSCLPXDPYSZIA-INIZCTEOSA-N 347.484 3.191 70 50 EGIA Cc1n[nH]cc1NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 160667470 QWQHKLAXWWHUTL-UHFFFAOYSA-N 348.769 3.399 70 50 EGIA CCN(C[C@H]1CCCCO1)C(=O)COc1ccc(Cl)cc1C 218744736 AYVOMUZWRBBQEI-OAHLLOKOSA-N 325.836 3.445 70 50 EGIA CNC[C@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 161356864 JZFKTFNCILCSAP-CHWSQXEVSA-N 328.378 3.409 70 50 EGIA COc1ccnc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)c1 218296350 QGWDWGPIDMVPLY-IBGZPJMESA-N 339.439 3.047 70 50 EGIA Nc1nc(NCc2cc(Cl)ccc2Cl)cc(C2CC(N)C2)n1 218630941 HAZUOPGDZGICMX-UHFFFAOYSA-N 338.242 3.182 70 50 EGIA Cc1sc(Cl)nc1C(=O)Nc1nnc([C@H]2CCCO2)s1 218284165 HEFVKUGTLHPGQP-ZCFIWIBFSA-N 330.822 3.060 70 50 EGIA CNC[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 161357097 JZFKTFNCILCSAP-OLZOCXBDSA-N 328.378 3.409 70 50 EGIA Cc1csc(NC(=O)CCC(=O)Nc2ccc3cc[nH]c3c2)n1 218274725 KHXRJYHBKFNHSA-UHFFFAOYSA-N 328.397 3.290 70 50 EGIA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC[C@@H]1c1ccccn1)cn2C 217172615 FYIJSFZJSNLJRX-LJQANCHMSA-N 347.418 3.219 70 50 EGIA C[C@H](c1ccc(CN2CCC(c3nccn3C)CC2)cc1)N(C)C 217648167 BIHQASZEIBYJOT-MRXNPFEDSA-N 326.488 3.422 70 50 EGIA COc1cccc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)c1 218463288 GNAOFTIWOFQXLW-UHFFFAOYSA-N 336.395 3.026 70 50 EGIA Cc1nc(C)n(Cc2cccc(NC3CCC4(CC3)OCCO4)c2)n1 161121636 CNMDXWBYGLEYOE-UHFFFAOYSA-N 342.443 3.041 70 50 EGIA C[C@H]1CCC[C@@H](C)N1CC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 217715476 IGGKTAYHBLQBFX-BETUJISGSA-N 348.878 3.138 70 50 EGIA O=C(CCSCc1ccccc1)N1CCC[C@@H](c2cc[nH]n2)C1 218572978 LWWAACSQCJVQNI-MRXNPFEDSA-N 329.469 3.439 70 50 EGIA COc1cccc([C@H]2CCCN2C(=O)COCC(F)(F)C(F)F)c1 218399437 JASSONXFRMPTLD-CYBMUJFWSA-N 349.324 3.276 70 50 EGIA O=C(c1ccn(C(F)F)n1)N1CCCC[C@@H]1CCc1ccccn1 218387584 QBULFAMHHRHLHW-CQSZACIVSA-N 334.370 3.301 70 50 EGIA Cc1nc([C@H](C)NC(=O)c2cccc(N3Cc4ccccc4C3)c2)n[nH]1 217957347 KRZVYQBNHZVJKA-ZDUSSCGKSA-N 347.422 3.124 70 50 EGIA c1cnc(N2CCCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)nc1 217209480 LTQIHCYCYVKBPB-QGZVFWFLSA-N 342.443 3.024 70 50 EGIA O=S(=O)(Cl)c1cc(Br)ccc1Br 95707656 ZLMPLIWURYRGEB-UHFFFAOYSA-N 334.416 3.139 70 50 EGIA in-vitro CC(C)(C)n1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c1 218141315 WEIVOGIEBZDVIX-UHFFFAOYSA-N 336.439 3.418 70 50 EGIA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cccc2c1OCCO2 218517447 OHRPROBLXDQDRX-GFCCVEGCSA-N 330.409 3.030 70 50 EGIA O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1c1ccccc1 217961347 SQWWDYYFGLBDIT-MJGOQNOKSA-N 349.434 3.188 70 50 EGIA biogenic CC(=O)c1ccc(C(=O)NCc2cc(-c3ccccc3)n[nH]2)s1 218341128 MVPFHDYARBMZEW-UHFFFAOYSA-N 325.393 3.271 70 50 EGIA CCCn1c(C)nnc1CN(C)[C@H]1CCCN(c2ccccc2)C1 160506617 ZGKYFTDXAIXBKE-SFHVURJKSA-N 327.476 3.097 70 50 EGIA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cc(-c2cccs2)nn1C 218706608 GNAQNMBUHWZMTI-GFCCVEGCSA-N 343.456 3.322 70 50 EGIA CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1[B-](F)(F)F 208326322 IOZOETDUOJNKBO-AWEZNQCLSA-N 343.178 3.495 70 50 EGIA O=C(NCCCSCc1ccc(F)cc1)[C@H]1CCC[C@@H](O)C1 218002275 CCUKYIOMGQHDKA-GOEBONIOSA-N 325.449 3.116 70 50 EGIA Cn1cnnc1Sc1ccc(NC(=O)c2ccccn2)cc1Cl 160436469 NCBSNKCQGYLGMO-UHFFFAOYSA-N 345.815 3.267 70 50 EGIA CC(=O)c1cccc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)c1 218479396 HPHJRDSTIVEZSJ-UHFFFAOYSA-N 348.406 3.220 70 50 EGIA CC[C@@H](O)c1cc2n(n1)CCCN(CCCOCc1ccccc1)C2 218507346 IEPURKDFEUUNBG-HXUWFJFHSA-N 343.471 3.139 70 50 EGIA CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccncc1Br 159707782 LUAKNQBZWTUXEY-NWDGAFQWSA-N 329.263 3.248 70 50 EGIA O=C(NCCc1ccncc1)c1cc(-n2cccc2)ccc1Cl 218416661 ANVVINAFTMKGDK-UHFFFAOYSA-N 325.799 3.498 70 50 EGIA COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1OC 217734650 SWHXXMXDEAISLU-CYBMUJFWSA-N 342.347 3.053 70 50 EGIA biogenic CN(CCc1ccncc1)Cc1nc2cc(Br)ccc2[nH]1 161355500 IYBMQVDNNYDJEG-UHFFFAOYSA-N 345.244 3.395 70 50 EGIA CNC(=O)c1ccc(NC(=O)[C@@H](OC)c2ccccc2)c(Cl)c1 160204768 LAFDAPNADFRHQH-HNNXBMFYSA-N 332.787 3.026 70 50 EGIA CC(C)[C@H](NC(=O)N1CC[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1 160451208 UVTSVFLKLRPTCN-DOMZBBRYSA-N 344.377 3.426 70 50 EGIA CC(C)CN1CC[C@H](CN(C)C(=O)Cc2ccc(O)c(Cl)c2)C1 217195433 ZIKQHDVYXJHTMK-OAHLLOKOSA-N 338.879 3.024 70 50 EGIA c1ccc(-c2nc(N[C@H]3CCc4ncnn4C3)nc3ccccc23)cc1 217044029 WGPVWOUBQYYVJF-HNNXBMFYSA-N 342.406 3.315 70 50 EGIA COc1cc(CN2C[C@H]3[C@H](CN(C)C)[C@H]3C2)ccc1OCC=C(C)C 217030357 BWFYQKYYGZFZMR-LDLYASANSA-N 344.499 3.280 70 50 EGIA CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(-c3ncn[nH]3)c2)c1 159890485 VYEBROKLYPUBSS-UHFFFAOYSA-N 349.394 3.319 70 50 EGIA CCOc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)o1 218476929 IZSDROUZAHWVDX-OAHLLOKOSA-N 331.416 3.268 70 50 EGIA Cc1ccc(CCNC(=O)CN2CCC(c3ccccc3)CC2)o1 218316481 FQYWJYIXAQBIKM-UHFFFAOYSA-N 326.440 3.126 70 50 EGIA C[Si](C)(C)C#Cc1cc(Br)cc(S(=O)(=O)F)c1 1501018210 CUUVPHAGWQDSCZ-UHFFFAOYSA-N 335.270 3.336 70 50 EGIA CC1(NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CCC1 161330578 DKNBJTLEPDZEBN-GFCCVEGCSA-N 339.386 3.109 70 50 EGIA CC1(CNC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)COC1 217587368 MQZPEOOEDOBICJ-UHFFFAOYSA-N 341.251 3.491 70 50 EGIA Cc1ccc([C@@H]2CN(CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)o1 161029482 UWLIMGHTCJXGII-SFHVURJKSA-N 348.487 3.246 70 50 EGIA OCc1cc2n(n1)CCCN(c1nc3ccc(Cl)cc3s1)C2 217812225 JUMLBRCXVHKGEE-UHFFFAOYSA-N 334.832 3.049 70 50 EGIA O=C(NCc1ccc2ccccc2n1)[C@@H](O)c1ccccc1Cl 217078310 LWYUHUWNBYZYJH-KRWDZBQOSA-N 326.783 3.238 70 50 EGIA CCc1nc(C)sc1CNC(=O)CCc1nc2ccccc2[nH]1 218284395 YKMIXTPLQHTIEJ-UHFFFAOYSA-N 328.441 3.139 70 50 EGIA C[C@H]1CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1(C)C 1875382435 AXROBGGULPQREU-NSHDSACASA-N 344.408 3.180 70 50 EGIA CN(CCC1(O)CCCC1)C(=O)Cc1cccc(C(F)(F)F)c1 218178823 NDSQPGBADGUEAR-UHFFFAOYSA-N 329.362 3.402 70 50 EGIA O[C@@H](c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2)C1CC1 218548086 RPOFLMLGXUOVEN-MRXNPFEDSA-N 337.876 3.447 70 50 EGIA COCCOc1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1Cl 161500434 QSQPQEYRWIQANW-GFCCVEGCSA-N 344.864 3.334 70 50 EGIA CCn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2ccccc21 218294264 FJLSNZIBFORHHM-UHFFFAOYSA-N 347.374 3.093 70 50 EGIA Cc1ccc(S[C@@H](C)C(=O)NCCc2nc(C3CC3)no2)cc1 217636433 XJDZDTACDKCNTM-LBPRGKRZSA-N 331.441 3.095 70 50 EGIA Cc1cn2cc(C(=O)NCc3cccc(CN4CCCC4)c3)ccc2n1 218031856 OCNHEICVXASNKS-UHFFFAOYSA-N 348.450 3.169 70 50 EGIA CC(F)(F)C1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1 1875387795 XTHCIPOIFINLDG-UHFFFAOYSA-N 337.363 3.147 70 50 EGIA CCN(CC)C(=O)[C@H](Sc1ncnc2[nH]cnc12)c1ccccc1 161366998 YYBNUYNWQCQMCY-CQSZACIVSA-N 341.440 3.055 70 50 EGIA Cc1ccc(C(=O)CCN2CCC(c3nnc4ccccn34)CC2)cc1 159635955 ZYBAMSDFUDTWJM-UHFFFAOYSA-N 348.450 3.490 70 50 EGIA CC(=O)NC1CCC(Nc2cccc(CN3CCSCC3)c2)CC1 161159484 JLVHQUXTWJEESR-UHFFFAOYSA-N 347.528 3.095 70 50 EGIA Cc1ccc(Sc2ccc(CN3CCN(C)[C@@H](CCO)C3)o2)cc1 217024250 DJCNHMKFCNJBEN-INIZCTEOSA-N 346.496 3.238 70 50 EGIA Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]3CSCN3)s2)cc1 159455393 MCIZHMKCWRCIIE-RISCZKNCSA-N 347.509 3.267 70 50 EGIA Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)F)cc1 313845838 ASXOFJNTGXXYLS-ZWKOTPCHSA-N 333.428 3.262 70 50 EGIA CS[C@@H](C)CC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 160447580 KVMIPTUFZKGGTP-LBPRGKRZSA-N 342.455 3.187 70 50 EGIA CSc1nc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)cs1 218707927 LJDCYPVQUPFTQR-ZDUSSCGKSA-N 344.465 3.233 70 50 EGIA CN(Cc1cccc2ccccc12)c1cc(C2CC(N)C2)nc(N)n1 218360926 KSBPSKIKCPPAFL-UHFFFAOYSA-N 333.439 3.053 70 50 EGIA Cc1ccccc1[C@@]1(O)CCN(C(=O)Cc2ccc(F)cc2Cl)C1 218366827 YQWZLTFBVVAEFX-LJQANCHMSA-N 347.817 3.450 70 50 EGIA O=C1CC[C@@H]2CN(Cc3ncc[nH]3)CC[C@@H]2N1CCC1=CCCCC1 216865349 OTCBBATVNQTQBM-MSOLQXFVSA-N 342.487 3.113 70 50 EGIA O=C(Cc1ccccc1C(F)(F)F)NCc1noc(C2CCC2)n1 218434450 PMUBHIDDZJHYSM-UHFFFAOYSA-N 339.317 3.215 70 50 EGIA CC[C@@H](NC(=O)c1csc(NC)n1)c1nc2cc(C)ccc2[nH]1 217006073 KOSYTIPAUYUFOH-SNVBAGLBSA-N 329.429 3.251 70 50 EGIA COc1ccccc1C1CCN(C(=O)c2ccn(C(F)F)n2)CC1 218401222 PYGIPERHFZZCQJ-UHFFFAOYSA-N 335.354 3.307 70 50 EGIA CON(Cc1ccccc1)C(=O)Nc1cnn(CC(F)(F)F)c1 160533736 XMXLVPRNZSGTDU-UHFFFAOYSA-N 328.294 3.041 70 50 EGIA CC(C)c1cc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)no1 159457220 WDRAKZOXEIDVLK-UHFFFAOYSA-N 347.459 3.099 70 50 EGIA CC(=O)c1ccc2c(c1O)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 217863006 CLGBQHYORSZTKU-OAHLLOKOSA-N 336.343 3.464 70 50 EGIA biogenic Cc1cc(CC(=O)N[C@H]2CCc3cc(Br)ccc32)no1 217193868 FYHFHLUFGCOIKR-AWEZNQCLSA-N 335.201 3.092 70 50 EGIA C[Si@@](Cl)(O[Si@@](C)(Cl)c1ccccc1)c1ccccc1 1857777464 AUWRUFAJYVQXSH-RTBURBONSA-N 327.359 3.439 70 50 EGIA Cc1nccc(C2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)n1 217855493 IYKQVHFOGQEDGZ-UHFFFAOYSA-N 348.450 3.225 70 50 EGIA O=c1onc(-c2cccs2)n1Cc1noc(C2CCCCC2)n1 159651502 YBYUIRDLUZEJRE-UHFFFAOYSA-N 332.385 3.044 70 50 EGIA CCc1c(C)nn(CCNC(=O)Cc2c(F)cccc2Cl)c1C 218273554 VHGYTBQXAOAZMP-UHFFFAOYSA-N 337.826 3.214 70 50 EGIA Cc1nnc(CCNC(=O)CSCc2ccccc2Cl)s1 218099074 USRVFODQPWWFDT-UHFFFAOYSA-N 341.889 3.092 70 50 EGIA O=C(Cc1ccc(S(=O)(=O)F)cc1)Nc1ccccc1Cl 685943870 FVIBDFKRWQSTMR-UHFFFAOYSA-N 327.764 3.179 70 50 EGIA C[C@H]1CCC[C@@H](C(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1 161268891 ZPFFPTPHKCMPGQ-LSDHHAIUSA-N 334.485 3.249 70 50 EGIA CN(C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@H]1CCSC1 161367737 QXXRIQQOMPUYJD-INIZCTEOSA-N 347.484 3.328 70 50 EGIA Fc1cc(F)c2nccc(N3CCOCC4(CCOCC4)C3)c2c1 160323260 AZRSBVJYKLIFMJ-UHFFFAOYSA-N 334.366 3.146 70 50 EGIA COCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)n2nc(C)cc2C)o1 161494507 XQNCYULUPOGWEH-HOCLYGCPSA-N 331.416 3.164 70 50 EGIA CC[C@@H](NC(=O)c1ncc(F)cc1F)c1nc2cc(C)ccc2[nH]1 218067043 HMCBZXFTOKDGTP-GFCCVEGCSA-N 330.338 3.426 70 50 EGIA CCN(CCN1CCCCCC1)C(=O)[C@H](O)c1ccccc1Cl 218304861 GINVOTSZDHLQIL-QGZVFWFLSA-N 338.879 3.098 70 50 EGIA c1csc([B-](c2cccs2)(c2cccs2)c2cccs2)c1 169746856 OFSFTYPOGPLZCN-UHFFFAOYSA-N 343.352 3.310 70 50 EGIA CNC[C@@H]1CCCN1C(=O)C[C@H](C)c1ccccc1C(F)(F)F 161356991 JZFKTFNCILCSAP-STQMWFEESA-N 328.378 3.409 70 50 EGIA C[C@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1cccnc1 160202376 QWRUSWCXFXMGIB-GUYCJALGSA-N 327.384 3.132 70 50 EGIA CCc1nc([C@H](C)n2nc(C)cc2C)n(Cc2ccc(OC)cc2)n1 217805621 QGJPPDUGAHOEBM-HNNXBMFYSA-N 339.443 3.320 70 50 EGIA COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(C)nc2)cc1 218560863 MXECTXJBDIZHQP-AWEZNQCLSA-N 326.396 3.239 70 50 EGIA Cc1cncnc1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 217204672 KLULJFKLTPJMFU-UHFFFAOYSA-N 326.425 3.348 70 50 EGIA Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3CSCN3)s2)cc1 159455797 MCIZHMKCWRCIIE-SMDDNHRTSA-N 347.509 3.267 70 50 EGIA CNC(=O)Cc1nc(CN2c3ccccc3S[C@H](C)[C@H]2C)cs1 161138967 BHVYXPNTNWWORW-VXGBXAGGSA-N 347.509 3.321 70 50 EGIA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cccc(O)c1 218521328 QTWTZTYKZADDKZ-PKUWUEBNSA-N 348.402 3.182 70 50 EGIA O=C(Nc1ccccc1Cc1ccccc1)N[C@@H]1CCc2ncnn2C1 161189571 GDGZVQQMWBXIRT-QGZVFWFLSA-N 347.422 3.005 70 50 EGIA Cc1ccc(C)n1CC(=O)N[C@H](CC(C)C)c1nnc2ccccn12 218564688 MWPBYSQMRHAYHZ-MRXNPFEDSA-N 339.443 3.051 70 50 EGIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCC(C)C)n1 218238236 VCSWVDPRSQIYPN-GOSISDBHSA-N 340.471 3.279 70 50 EGIA CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1[B-](F)(F)F 208326355 IOZOETDUOJNKBO-CQSZACIVSA-N 343.178 3.495 70 50 EGIA FC(F)Oc1ccccc1CN1CCO[C@@H](c2nccs2)C1 161444688 JNHUIWSOFWPRLK-CYBMUJFWSA-N 326.368 3.318 70 50 EGIA CCn1nc(CNc2cc(C3CC(O)C3)nc(C)n2)c2ccccc21 218560502 BQKXJDUAHCVEFE-UHFFFAOYSA-N 337.427 3.005 70 50 EGIA O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1Br 100467802 VWWRUCDVDGRSNG-UHFFFAOYSA-N 339.516 3.275 70 50 EGIA O=S(=O)(O[C@@H](c1cc(Cl)ccn1)C(F)(F)F)C(F)(F)F 97950289 UIGLSIWKRYUOJI-LURJTMIESA-N 343.632 3.205 70 50 EGIA Cc1ccc(C2(C(=O)N[C@H]3CCCN(Cc4cccnc4)C3)CC2)cc1 218730649 XMDPIQNEWWCOIL-FQEVSTJZSA-N 349.478 3.202 70 50 EGIA Cc1cccc([C@@H]2CCCN2Cc2noc(C3CCOCC3)n2)n1 160386611 WPGYTPJIUVJJHT-INIZCTEOSA-N 328.416 3.004 70 50 EGIA O=S(=O)(Cl)c1ccc(OC(F)(F)F)c(Br)c1 100507933 VYGXKXBCLAWISQ-UHFFFAOYSA-N 339.516 3.275 70 50 EGIA C[C@@H]1CCC[C@H](C(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1 161268520 ZPFFPTPHKCMPGQ-CABCVRRESA-N 334.485 3.249 70 50 EGIA O=C(Cc1ccccc1OCc1ccccc1)N[C@H]1C[C@@H]2OCC[C@H]12 218259369 QNABMGXILBXTSV-HBFSDRIKSA-N 337.419 3.102 70 50 EGIA O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCC[C@@H]1c1ccccn1 217174265 IJDHEDAPSFWNIV-QGZVFWFLSA-N 337.354 3.040 70 50 EGIA CC(C)Oc1cncc(C(=O)N2CCO[C@H](c3cccs3)C2)c1 159580751 NFZSADYLVAPQCC-HNNXBMFYSA-N 332.425 3.144 70 50 EGIA C[C@@H](NC(=O)Nc1ccnn1Cc1ccccc1F)c1ccncc1 160556401 UHSIXFXQIBYKPZ-CYBMUJFWSA-N 339.374 3.348 70 50 EGIA CC(C)[C@@H](NC(=O)N1CC[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1 160451347 UVTSVFLKLRPTCN-IUODEOHRSA-N 344.377 3.426 70 50 EGIA CC(C)(C)c1nc(CCNC(=O)c2cc(F)cc3[nH]cnc23)cs1 160701998 SUUMXZXFHVNCSS-UHFFFAOYSA-N 346.431 3.429 70 50 EGIA CC1(C)C(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)C1(C)C 218380119 IWFFXCYTZLXOGF-DQPZFDDXSA-N 343.467 3.232 70 50 EGIA Cc1cc(C[C@H](C)NC(=O)Nc2ccc3nn(C(C)C)cc3c2)n[nH]1 161251386 IDTQDQSXORUOCS-LBPRGKRZSA-N 340.431 3.401 70 50 EGIA N#Cc1sc2cc(Br)ccc2c1S(=O)(=O)Cl 725344305 OLTJFXLMIAZOSX-UHFFFAOYSA-N 336.619 3.463 70 50 EGIA CSc1nc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)cs1 218707998 LJDCYPVQUPFTQR-CYBMUJFWSA-N 344.465 3.233 70 50 EGIA CCOc1ccc(C(=O)N2CCC3(CC2)CNc2ccccc23)o1 218271979 XSDRJGDRAXHNTN-UHFFFAOYSA-N 326.396 3.278 70 50 EGIA COc1ccc2[nH]c(CNC(=O)[C@H](C)Sc3ccccn3)cc2c1 218551847 JGUCTYXKXIXNGC-LBPRGKRZSA-N 341.436 3.369 70 50 EGIA Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1nccs1 159478810 NIKYSSZTCHVNNJ-UHFFFAOYSA-N 332.816 3.221 70 50 EGIA CCN(C[C@@H]1CCCCO1)C(=O)COc1ccc(Cl)cc1C 218744663 AYVOMUZWRBBQEI-HNNXBMFYSA-N 325.836 3.445 70 50 EGIA CC(C)[C@H](NC(=O)N1CC[C@H](CO)C1)c1ccc(C(F)(F)F)cc1 160450988 UVTSVFLKLRPTCN-WFASDCNBSA-N 344.377 3.426 70 50 EGIA Cn1nccc1CCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 160548160 YKUGWHQTEWCQPL-UHFFFAOYSA-N 331.725 3.065 70 50 EGIA Cc1cccc(OC(C)(C)C(=O)N(C)C[C@H]2CCCCN2C)c1C 217352565 MBCOYKGCIDNAPT-QGZVFWFLSA-N 332.488 3.404 70 50 EGIA O=C(COc1ncnc2ccccc12)N1CCCC[C@H]1c1ccccn1 217213819 MYTVLTPPXQWDQB-SFHVURJKSA-N 348.406 3.157 70 50 EGIA CC(C)OCC1CCN(C(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1 217524105 UAGLFDOHJLEYPI-GOSISDBHSA-N 336.451 3.092 70 50 EGIA Cc1nc(-c2ccncc2)sc1C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 218257573 YGVGZBUWXZIGMK-AEGPPILISA-N 325.437 3.456 70 50 EGIA COCc1nc(NCCCc2ccccc2F)cc([C@H]2C[C@@H](N)C2)n1 218222384 SIUUTRYVBNRCEZ-SHTZXODSSA-N 344.434 3.012 70 50 EGIA CC(=O)Nc1cccc(CN2CCO[C@]3(CCc4ccccc43)C2)c1 159506441 OESIAFSYLLONNA-OAQYLSRUSA-N 336.435 3.319 70 50 EGIA CCn1nc(C)c([C@@H](C)NC(=O)Cc2ccc(O)c(Cl)c2)c1C 218196407 AVLCAGQBLGHBGC-SNVBAGLBSA-N 335.835 3.299 70 50 EGIA O=C1CC[C@@H]2CN(Cc3ccco3)CC[C@@H]2N1CCc1cccs1 216974792 SPVOFIOFNRXHIX-QAPCUYQASA-N 344.480 3.397 70 50 EGIA COc1cccc(-c2cc(CNC(=O)c3n[nH]c4ccccc34)no2)c1 218671704 NQAOCHPLEZEQNY-UHFFFAOYSA-N 348.362 3.157 70 50 EGIA c1cnc(N2CCCN(Cc3ccc([C@H]4CCCO4)s3)CC2)nc1 217957774 CFUHEGPZWTVXGN-MRXNPFEDSA-N 344.484 3.102 70 50 EGIA O=C(CC1CCNCC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 160691846 PGYSPKJSARELEI-AWEZNQCLSA-N 334.769 3.449 70 50 EGIA Cc1cnccc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218595599 ZKPMNDKOPPJUGU-MKJPBZQASA-N 347.418 3.180 70 50 EGIA COc1ccccc1N1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 161151605 BXSWHRXWAAKRFC-QGZVFWFLSA-N 336.435 3.122 70 50 EGIA Cc1nc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)sc1C 218540672 NHMRPKLAVMRXJE-UHFFFAOYSA-N 341.440 3.091 70 50 EGIA Cc1cc([C@H]2CCCCN2C(=O)CN2CCc3ccccc3C2)no1 218200392 XGFPFBRAHFSFQI-LJQANCHMSA-N 339.439 3.095 70 50 EGIA Cc1cccc([C@H](C(=O)NCc2ccc3nc(C)[nH]c3c2)N(C)C)c1 217666808 VIUAGJZIVOMGTD-LJQANCHMSA-N 336.439 3.099 70 50 EGIA CCCn1c(C)nnc1CN(C)[C@@H]1CCCN(c2ccccc2)C1 160506463 ZGKYFTDXAIXBKE-GOSISDBHSA-N 327.476 3.097 70 50 EGIA O=S(=O)(O[C@H](c1cc(Cl)ccn1)C(F)(F)F)C(F)(F)F 97950290 UIGLSIWKRYUOJI-ZCFIWIBFSA-N 343.632 3.205 70 50 EGIA c1cc(NC2CCC3(CC2)OCCO3)cc(OCCn2cccn2)c1 161096079 SUXVSLHTONAOER-UHFFFAOYSA-N 343.427 3.060 70 50 EGIA CSCC[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1C 218346904 HSQNGZBWCCIDCE-HNNXBMFYSA-N 340.452 3.193 70 50 EGIA CN(C(=O)c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)F)cc1 1875374417 OZLJTPFMEASUCZ-UHFFFAOYSA-N 343.763 3.210 70 50 EGIA O=C1CCCCCN1CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 217029933 JBBJYXMPBFCTSZ-QGZVFWFLSA-N 332.419 3.282 70 50 EGIA CN(C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)[C@@H]1CCSC1 161367595 QXXRIQQOMPUYJD-MRXNPFEDSA-N 347.484 3.328 70 50 EGIA CC(C)n1cccc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 218407188 TZJOPYZDZYHJPR-KRWDZBQOSA-N 327.428 3.285 70 50 EGIA C[C@H](NC(=O)Nc1ccnn1Cc1ccccc1F)c1ccncc1 160556282 UHSIXFXQIBYKPZ-ZDUSSCGKSA-N 339.374 3.348 70 50 EGIA Cc1noc(C)c1[C@@H](C)CC(=O)Nc1nc(-c2nccn2C)cs1 160616765 MWDVQTTWOFLFLV-VIFPVBQESA-N 345.428 3.281 70 50 EGIA O=C(c1cc2sccc2[nH]1)N1CCC(OCc2ccccn2)CC1 218522342 HLIWRDOVNHUEGV-UHFFFAOYSA-N 341.436 3.446 70 50 EGIA O=C(c1scc2c1CCCC2)N1CC[C@@](O)(c2ccccc2)C1 218417057 JUZFKDWDWJPNAO-IBGZPJMESA-N 327.449 3.361 70 50 EGIA Cn1nc(-c2ccc(S(=O)(=O)Cl)s2)cc1C(F)(F)F 95681992 BWVNHXIGDZASCP-UHFFFAOYSA-N 330.740 3.095 70 50 EGIA c1cc(OC[C@H]2CCCO2)ccc1NC1CCC2(CC1)OCCO2 161102950 SHKXRPHJTFZABH-GOSISDBHSA-N 333.428 3.342 70 50 EGIA O=S(=O)(F)[C@@]12CCc3ccccc3[C@@H]1CN(Cc1ccccc1)C2 390822111 FNSDQFUTCNGPNB-RBUKOAKNSA-N 345.439 3.270 70 50 EGIA CSc1nc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cs1 216976074 SJEDGFZSRFURTI-SECBINFHSA-N 336.438 3.127 70 50 EGIA COc1cccc2c(O)c(C(=O)N3CCc4ccccc4C3)cnc12 217607659 LBDJBLFUNKWYDJ-UHFFFAOYSA-N 334.375 3.148 70 50 EGIA biogenic Cc1nnc(CN(C)C(=O)c2ccc(-c3cccc(F)c3)cc2)o1 217740945 NURXQJJBQZCEKN-UHFFFAOYSA-N 325.343 3.456 70 50 EGIA CSc1nc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cs1 216976056 SJEDGFZSRFURTI-VIFPVBQESA-N 336.438 3.127 70 50 EGIA O=C(CN1CCCCCCC1)NCc1nc2ccc(Cl)cc2[nH]1 217155392 GTNBCDGNVBNYES-UHFFFAOYSA-N 334.851 3.099 70 50 EGIA CC(C)c1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)n[nH]1 218381339 HJYRFESIAZHLIU-UHFFFAOYSA-N 330.779 3.224 70 50 EGIA C[C@@H]1CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1(C)C 1875382434 AXROBGGULPQREU-LLVKDONJSA-N 344.408 3.180 70 50 EGIA CC(=O)N1CCCc2cc(NC(=O)c3ccc(N(C)C)cc3)ccc21 160306996 WKEVZXVZKXQGJU-UHFFFAOYSA-N 337.423 3.304 70 50 EGIA CC[C@H](NC(=O)C1(N2CCCCC2)CCCCC1)c1ccnn1C 218405192 HMTRNLJRHSFRAO-INIZCTEOSA-N 332.492 3.176 70 50 EGIA CN1CCC(CNC(=O)c2cncc(Cl)c2)(c2ccccc2)CC1 218611348 HFFJAAQSXZIGGZ-UHFFFAOYSA-N 343.858 3.128 70 50 EGIA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1c(-c3ccccc3)nc3ncccn13)C2 217847608 KHEUNBRNFQUMNE-YRWFTTLQSA-N 348.450 3.253 70 50 EGIA CCc1nc(C)sc1CNC(=O)c1cc(=O)c2ccccc2o1 218481556 IRHFMPUBKOVOSP-UHFFFAOYSA-N 328.393 3.050 70 50 EGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CC[C@@]2(C1)CC2(F)F 1875383887 BYEGJLPMPRVJMD-NOZJJQNGSA-N 349.330 3.044 70 50 EGIA CN(C)Cc1ccccc1CN(C)C(=O)[C@H](O)c1cccc(Cl)c1 218348313 BSSSADJCVQIXJV-GOSISDBHSA-N 346.858 3.094 70 50 EGIA O=C(Nc1ccccc1-c1ccncc1)N[C@@H](CO)Cc1ccccc1 160256740 CKEYRTHJNYVDHI-GOSISDBHSA-N 347.418 3.474 70 50 EGIA CCCN1CCC[C@@]2(CO)CN(Cc3cc(F)ccc3F)CC[C@H]12 217005533 LLAKTLTUQLVGNI-OALUTQOASA-N 338.442 3.024 70 50 EGIA COc1ccc(Cn2nc(-c3ccncc3)nc2C(C)(C)OC)cc1 217183758 HHWFAZCDVVIESY-UHFFFAOYSA-N 338.411 3.279 70 50 EGIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2 217657878 LJDDAQUPGBRPBA-NSHDSACASA-N 332.739 3.395 70 50 EGIA biogenic COc1ccc([C@H]2CCCN2C(=O)C2=C(C)OCCC2)cc1OC 161490148 YNRAUERNFBPWJQ-MRXNPFEDSA-N 331.412 3.452 70 50 EGIA CC[C@H](NC(=O)c1cc(-c2cccs2)n(C)n1)c1ccncc1 218396155 WLURIQZAJTWVOT-ZDUSSCGKSA-N 326.425 3.425 70 50 EGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](C(C)C)CC(=O)O2 217861262 KXLCYTVROWTNLW-SNVBAGLBSA-N 330.336 3.058 70 50 EGIA biogenic CC[C@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1nc(C)c(C)s1 218390268 DEYGNGTVHWJMNY-AWEZNQCLSA-N 348.472 3.043 70 50 EGIA Cc1cc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)ccc1Cl 218440642 UTCNTFPFNFGALB-JZXOWHBKSA-N 344.842 3.155 70 50 EGIA CC1=C(CCN2CCCn3nc([C@H](O)CO)cc3C2)C(C)(C)CCC1 217704562 STIOPZHGCYRLLH-LJQANCHMSA-N 347.503 3.031 70 50 EGIA O=C(Cc1ccc2c(c1)OCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 218231154 NCNVVKDBTCVEGZ-SFHVURJKSA-N 347.418 3.404 70 50 EGIA CC(=O)c1ccc2c(c1O)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 218201154 CIZFKFXPXPHQDN-SNVBAGLBSA-N 336.265 3.453 70 50 EGIA Cc1nc2sc([C@H](c3ccsc3)N3CCCCC3)c(O)n2n1 218472276 ZTOHGKLXECVECX-LBPRGKRZSA-N 334.470 3.442 70 50 EGIA CC(C)c1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)cn1 161480385 YZEICOIYGZQLRY-UHFFFAOYSA-N 334.423 3.380 70 50 EGIA Cc1ccc(OCc2occc2C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cc1 217065784 PXECZBIZFCIGPE-OIISXLGYSA-N 327.380 3.074 70 50 EGIA Cc1cc(CC(=O)N[C@@H]2CCc3cc(Br)ccc32)no1 217193863 FYHFHLUFGCOIKR-CQSZACIVSA-N 335.201 3.092 70 50 EGIA Cc1cc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)ccc1Cl 218440724 UTCNTFPFNFGALB-SOLBZPMBSA-N 344.842 3.155 70 50 EGIA CCN(CCN1CCCCCC1)C(=O)[C@@H](O)c1ccccc1Cl 218304787 GINVOTSZDHLQIL-KRWDZBQOSA-N 338.879 3.098 70 50 EGIA CCCOc1ccc2c(c1)CCN(C(=O)[C@H](C)C1CCOCC1)C2 160756152 YGFDSEPRIQGHLJ-OAHLLOKOSA-N 331.456 3.423 70 50 EGIA COc1ccc(C(C)(C)C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 160644994 DMUBZTSPZDLSLB-GOSISDBHSA-N 340.423 3.048 70 50 EGIA COc1cccc(-c2ccc(C(=O)N(C)Cc3noc(C)n3)cc2)c1 218694284 ZSWKHLFUFDVSJI-UHFFFAOYSA-N 337.379 3.326 70 50 EGIA Fc1ccccc1-n1cc(CN2CCN(CC3CCCC3)CC2)cn1 218346981 QIMFCMAPUARAPY-UHFFFAOYSA-N 342.462 3.319 70 50 EGIA CC[C@@H](NC(=O)C1(N2CCCCC2)CCCCC1)c1ccnn1C 218405106 HMTRNLJRHSFRAO-MRXNPFEDSA-N 332.492 3.176 70 50 EGIA C[C@H](O)C[C@H]1CCCN1Cc1nc2cc(Br)ccc2[nH]1 160998455 IWDMUYKJJYNHEU-CMPLNLGQSA-N 338.249 3.061 70 50 EGIA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)[nH]n1 159890249 RRXNAUGHZNFZFO-NSHDSACASA-N 335.429 3.049 70 50 EGIA CC(C)(NC(=O)c1cccs1)C(=O)NCc1cc2ccccc2[nH]1 217177270 PPWLMLVHTYGENE-UHFFFAOYSA-N 341.436 3.054 70 50 EGIA O=C(NCc1cnc2cnccn12)c1cccc(-c2ccccc2)c1 217625612 ASAZOJHEKFMVKI-UHFFFAOYSA-N 328.375 3.326 70 50 EGIA Cn1ncnc1[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 218079179 UFRUHEJSQZDTAS-SFHVURJKSA-N 348.406 3.489 70 50 EGIA Cc1noc(C)c1[C@H](C)CC(=O)Nc1nc(-c2nccn2C)cs1 160616878 MWDVQTTWOFLFLV-SECBINFHSA-N 345.428 3.281 70 50 EGIA O=C(COCC(F)(F)C(F)F)N1CCCC[C@H]1c1ccccn1 217508574 APXHTPZQGWKFJV-LBPRGKRZSA-N 334.313 3.052 70 50 EGIA COc1ccc2sc(NC(=O)C(C)(C)Br)nc2c1 217040584 MMUTZCMOGMOANI-UHFFFAOYSA-N 329.219 3.417 70 50 EGIA Cc1cc(-c2nnn(Cc3noc(C4CCCCC4)n3)n2)ccc1F 159675764 SFMOBKPVYSUTPD-UHFFFAOYSA-N 342.378 3.267 70 50 EGIA C[C@@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1Cc2ccccc2C1=O 218128595 GUZJVXBQNDRUCO-KXBFYZLASA-N 349.434 3.180 70 50 EGIA biogenic C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(Br)o1 160700797 FTCBMRIROXKHAW-QMMMGPOBSA-N 342.214 3.495 70 50 EGIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 218270889 JAZWSKDHASGSIV-JLTOFOAXSA-N 349.434 3.434 70 50 EGIA O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1ccc(OCc2ccccc2F)cc1 217456359 ZSUYTHTUTHUTJE-QRQLOZEOSA-N 341.382 3.312 70 50 EGIA CC(=O)c1ccc2c(c1O)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 218201081 CIZFKFXPXPHQDN-JTQLQIEISA-N 336.265 3.453 70 50 EGIA CC[C@H](O)c1cc2n(n1)CCCN(CCCOCc1ccccc1)C2 218507429 IEPURKDFEUUNBG-FQEVSTJZSA-N 343.471 3.139 70 50 EGIA Cc1cncnc1C1CCN(C(=O)c2cn(C)c3ccccc23)CC1 217170010 VKDIXFGEMHTEEV-UHFFFAOYSA-N 334.423 3.297 70 50 EGIA Cc1nc2sc([C@H](c3cccc(F)c3)N3CCCC3)c(O)n2n1 218407772 MSCKRVVVEDUXSN-ZDUSSCGKSA-N 332.404 3.129 70 50 EGIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(CCC(C)(C)O)cc1)C2 217190511 FYBVXLUPYMREOX-PMOLBWCYSA-N 330.516 3.162 70 50 EGIA CCOCCOc1cccc(C(=O)N[C@@H](C)c2nc(C)cs2)c1 217051256 SYALJULXSIPWGJ-ZDUSSCGKSA-N 334.441 3.358 70 50 EGIA O=S(=O)(F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1776003355 KTISNTUNXYSYRZ-UHFFFAOYSA-N 346.733 3.022 70 50 EGIA CC[C@H](O)c1cc2n(n1)CCN(Cc1cccc3c(C)c(C)[nH]c13)C2 217865782 QMRONSSIRASKOV-IBGZPJMESA-N 338.455 3.440 70 50 EGIA C[C@H](Cc1cnccn1)NC(=O)C(c1ccccc1)c1ccccc1 218738329 GYMITHKUASPNBE-MRXNPFEDSA-N 331.419 3.356 70 50 EGIA COc1ccccc1NC(=O)c1c2c(nc3c1c(C)nn3C)CCC2 218467102 CLADTMWUGFPQDU-UHFFFAOYSA-N 336.395 3.026 70 50 EGIA O=C(NCC1(C2CC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 159656574 HYQQIVFBUXDQDY-UHFFFAOYSA-N 347.480 3.323 70 50 EGIA CCC[C@@]1(CO)CCCN(C(=O)Cc2ccc(F)cc2Cl)C1 218729304 BTHPHYYWSIIDIU-QGZVFWFLSA-N 327.827 3.423 70 50 EGIA CCN(CC)Cc1cc(C(=O)NCC2(N(C)C)CCCCC2)c(C)o1 218587009 KFRSBYSXOVEAQZ-UHFFFAOYSA-N 349.519 3.424 70 50 EGIA Cc1cccc([C@H](NC(=O)NCC2(CO)CCOCC2)C(C)(C)C)c1 159469689 PUSXYIXYCBLHKV-KRWDZBQOSA-N 348.487 3.171 70 50 EGIA CS(=O)(=O)c1ccsc1NC(=O)Cc1ccc(F)cc1Cl 161081377 ZMMLALDIWIOBLS-UHFFFAOYSA-N 347.820 3.125 70 50 EGIA Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CSCN3)s2)cc1 159455668 MCIZHMKCWRCIIE-BXUZGUMPSA-N 347.509 3.267 70 50 EGIA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)c1 217916481 ZIZPRFGHTVADOM-MRXNPFEDSA-N 341.407 3.188 70 50 EGIA Cc1cccc([C@@H](NC(=O)NCC2(CO)CCOCC2)C(C)(C)C)c1 159469843 PUSXYIXYCBLHKV-QGZVFWFLSA-N 348.487 3.171 70 50 EGIA COc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(O)c2c1 217691277 CMWOPQXGYGTPRY-UHFFFAOYSA-N 334.375 3.148 70 50 EGIA biogenic Cc1ccc([C@H]2CN(CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)o1 161029610 UWLIMGHTCJXGII-GOSISDBHSA-N 348.487 3.246 70 50 EGIA O=S(=O)(Cl)c1cc(Br)ccc1OC(F)(F)F 150268910 XZAKKJIPMFOOPN-UHFFFAOYSA-N 339.516 3.275 70 50 EGIA CCc1nc(COc2ccc(C(=O)NCC3(C4CC4)CC3)cc2)no1 159648754 YCCSNTWHXUBXAQ-UHFFFAOYSA-N 341.411 3.131 70 50 EGIA COc1cccc(Cl)c1CC(=O)N1CCSc2ncccc21 160142525 GMZKQTIZROWZBW-UHFFFAOYSA-N 334.828 3.425 70 50 EGIA CCS[C@H]1CCC[C@@H]1NC(=O)c1ccncc1Br 159707915 LUAKNQBZWTUXEY-RYUDHWBXSA-N 329.263 3.248 70 50 EGIA Cc1cc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)nc(=O)[nH]1 159826770 MFOIDCMMEIQICN-UHFFFAOYSA-N 331.681 3.003 70 50 EGIA O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccncc1F 217043223 IDRJTHGMNVMJNF-GOSISDBHSA-N 327.403 3.178 70 50 EGIA COc1cccc(SCC(=O)NCc2cc(C(C)(C)C)n[nH]2)c1 218064487 QGLGDBKTSWRJAA-UHFFFAOYSA-N 333.457 3.124 70 50 EGIA CCCO[C@@H]1CCCN(C(=O)Nc2cc(C(=O)OC)cs2)CC1 160947513 FJUUJVNTNADMPU-CYBMUJFWSA-N 340.445 3.348 70 50 EGIA COC(=O)[C@H](CC(C)C)NC(=O)CCn1ccc2c(C)cccc21 218283080 AYTXOAHXBNGFEH-INIZCTEOSA-N 330.428 3.044 70 50 EGIA Cc1cc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)cc(C)n1 217355274 LSFBULOYKXKRFJ-LJQANCHMSA-N 338.455 3.050 70 50 EGIA CC[C@H](C)[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2[nH]1 218380558 PMTOEELHBSCMGQ-KSSFIOAISA-N 339.443 3.443 70 50 EGIA CN(CCO)c1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 217467915 DECVVKFNACYVQN-GOSISDBHSA-N 330.472 3.158 70 50 EGIA Br[Si](Br)(Br)Br 253588373 AIFMYMZGQVTROK-UHFFFAOYSA-N 347.702 3.002 70 50 EGIA COc1cc(Cl)ccc1C(=O)NCC[C@@H]1COc2ccccc2O1 216966198 HPZNBROCTMPAIK-CYBMUJFWSA-N 347.798 3.309 70 50 EGIA Cc1sc(Cl)nc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 218284101 HEFVKUGTLHPGQP-LURJTMIESA-N 330.822 3.060 70 50 EGIA CCCC[C@H](NC(=O)CC1=CSC2=NCCN12)c1cccnc1 218043616 YFOGJXOURYGCQX-HNNXBMFYSA-N 330.457 3.079 70 50 EGIA COc1ccccc1-c1cccc(NC(=O)NCc2nc(C)no2)c1 160171062 FDDSNHMGOLQAHP-UHFFFAOYSA-N 338.367 3.375 70 50 EGIA O=C(CCSCc1ccccc1)N1CCC[C@H](c2cc[nH]n2)C1 218573057 LWWAACSQCJVQNI-INIZCTEOSA-N 329.469 3.439 70 50 EGIA CCCO[C@H]1CCCN(C(=O)Nc2cc(C(=O)OC)cs2)CC1 160947637 FJUUJVNTNADMPU-ZDUSSCGKSA-N 340.445 3.348 70 50 EGIA O=C(Cc1ccccc1OCc1ccccc1)N[C@@H]1C[C@@H]2OCC[C@@H]21 217660739 QNABMGXILBXTSV-GGPKGHCWSA-N 337.419 3.102 70 50 EGIA COc1ccc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)cc1 218548438 ZFYUGPBCCJDNBG-UHFFFAOYSA-N 336.395 3.026 70 50 EGIA CC(C)C[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2[nH]1 218421612 ALEGIFLKCMGYFE-KRWDZBQOSA-N 339.443 3.443 70 50 EGIA CC[C@@H](NC(=O)c1cc(-c2cccs2)n(C)n1)c1ccncc1 218396072 WLURIQZAJTWVOT-CYBMUJFWSA-N 326.425 3.425 70 50 EGIA CCOCCOc1cccc(C(=O)N[C@H](C)c2nc(C)cs2)c1 217051286 SYALJULXSIPWGJ-CYBMUJFWSA-N 334.441 3.358 70 50 EGIA CCN(C(=O)c1ccc2[nH]c(=O)n(C)c2c1)[C@@H](C)c1ccc(F)cc1 159490624 KMSDDMBVPMWCLS-LBPRGKRZSA-N 341.386 3.229 70 50 EGIA CSCCC(=O)N[C@H]1CC[C@@H](C(=O)Nc2cccc3c2CCC3)C1 216997385 KPTIWQQAIJEZQC-CABCVRRESA-N 346.496 3.152 70 50 EGIA Cc1nc2sc([C@@H](c3ccsc3)N3CCCCC3)c(O)n2n1 218472193 ZTOHGKLXECVECX-GFCCVEGCSA-N 334.470 3.442 70 50 EGIA Cc1cccc(OC(C)(C)C(=O)N(C)C[C@@H]2CCCCN2C)c1C 217352493 MBCOYKGCIDNAPT-KRWDZBQOSA-N 332.488 3.404 70 50 EGIA O=C(NCc1nnc2n1CCCCC2)c1cccc(-c2ccco2)c1 218526770 OSSCXKXZKFTKLD-UHFFFAOYSA-N 336.395 3.195 70 50 EGIA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](N)C1 216941767 NHVWISKPCCLQGD-CVEARBPZSA-N 329.469 3.108 70 50 EGIA