smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nn(C)c(C)c1C[C@H](C)/N=C(/O)c1nnn(CC2CCCC2)c1C 329870319 BLIXIIXCRLSING-LBPRGKRZSA-N 358.490 3.063 30 50 FGEA CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(=Cc2cccc(F)c2)CC1 330380645 VADXEUOVBUCONG-HNNXBMFYSA-N 365.474 3.031 30 50 FGEA COc1ccccc1[C@@H]1CN(c2cccc(C#N)n2)[C@@H]2C3CCN(CC3)[C@H]12 72148350 UZRXEPVMOSCTQY-VLCRHTCISA-N 360.461 3.028 30 50 FGEA C=CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC(C(F)(F)F)C(F)(F)F 23279723 XTJQYCIFINHYHJ-RKDXNWHRSA-N 360.250 3.334 30 50 FGEA O=[N+]([O-])c1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 19773182 QTADTPSSBBVBQA-DEDYPNTBSA-N 358.829 3.400 30 50 FGEA CNc1nc(-c2cccnc2)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc12 205367339 AJKDIZPMTFSHRD-UHFFFAOYSA-N 362.242 3.033 30 50 FGEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 5062173 IPJXHBGRLRMCIL-KRWDZBQOSA-N 368.345 3.092 30 50 FGEA COc1ccc(-c2cc[n+](CC(=O)c3ccc(F)cc3)cn2)cc1OC 5670971 XZVFNUMUBJYTKV-UHFFFAOYSA-N 353.373 3.075 30 50 FGEA O=C1CCCC2=C1[C@H](c1cc(Br)ccc1F)n1ncnc1N2 4716066 UGKYEBRLNBDYDT-AWEZNQCLSA-N 363.190 3.202 30 50 FGEA Cc1ccc(C[C@H]2S/C(=N\N=C\c3cccc([N+](=O)[O-])c3)NC2=O)cc1 4992055 ZLMUOGDWXPMQLY-YDDPGSGASA-N 368.418 3.067 30 50 FGEA COc1cccc(/C=N/n2c(-c3ccc(N(C)C)cc3)n[nH]c2=S)c1O 5810201 BECVCQFUYBKPJD-YBFXNURJSA-N 369.450 3.270 30 50 FGEA COC(=O)[C@H]1C(=O)/C(=C\Nc2cccc3ccccc23)C(=O)CC1(C)C 100738699 HEEBOADDVYUCLV-WTQUMQLASA-N 351.402 3.493 30 50 FGEA Cc1cc(I)cc(C(=O)N[C@]2(C#N)CC2(C)C)c1C 332005076 SBUFBRNJCYDNEZ-HNNXBMFYSA-N 368.218 3.330 30 50 FGEA C#CCCC1(CCC(=O)NC2CCN(CCc3ccccc3)CC2)N=N1 952883302 VVMBDPFNJZPJGK-UHFFFAOYSA-N 352.482 3.165 30 50 FGEA O/C(=N/[C@H](Cc1ccccn1)c1ccccc1)N1CC[C@@]2(CCOC2)C1 330143321 YTPJBMQPWSJEHA-TZIWHRDSSA-N 351.450 3.392 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1 1129402 FOZKIEUDWMGSCD-UHFFFAOYSA-N 351.435 3.257 30 50 FGEA COc1ccc(CN2C(=O)C[C@H](C(=O)O)S/C2=N/c2ccccc2)cc1 100359150 IEZLYCNEFIVGDT-ZBBYCGENSA-N 370.430 3.302 30 50 FGEA C=CCN(c1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1)S(C)(=O)=O 10449872 MVNOLPDMSFWIOD-OAHLLOKOSA-N 370.474 3.230 30 50 FGEA CN(Cc1ccc2nsnc2c1)C1CCN(c2cc(C#N)ccn2)CC1 95512162 KLVASWFCHRNIKS-UHFFFAOYSA-N 364.478 3.059 30 50 FGEA C=CCN(CC=C)C(=O)c1cc(-c2cccc(C)c2)cc(-n2cnnn2)c1 15071516 GCCYKKHQUWRJOY-UHFFFAOYSA-N 359.433 3.452 30 50 FGEA CCc1c(C#N)c(N)nc2sc(C(=O)OCc3ccccc3)c(N)c12 19337955 XUDVNBGSXYJDGO-UHFFFAOYSA-N 352.419 3.252 30 50 FGEA CCO[C@@H]1C[C@H](/N=C(/O)[C@H](C(C)C)N2CCCCC2)C12CCOCC2 329977230 ZMPIEVRJHIMXCW-KSZLIROESA-N 352.519 3.428 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)N=N1 1875381822 IQMZOGRWKTYUOI-LJQANCHMSA-N 353.422 3.381 30 50 FGEA C=CCOc1c(Cl)cc(CN[C@H]2CCCCNC2=O)cc1OCC 55282081 UNZDCUCURGHOQB-HNNXBMFYSA-N 352.862 3.062 30 50 FGEA Cc1cncc(N=C(O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 328614205 AAAPNTBSPXYJAT-KRWDZBQOSA-N 367.453 3.084 30 50 FGEA C=CCc1c(C)nc(N)nc1NC[C@H](c1ccc(F)cc1)N1CCCC1 91604492 MHJMCRXQFKHFSQ-GOSISDBHSA-N 355.461 3.484 30 50 FGEA O=C(Cc1ccccc1)ON=C1C=CC(=NOC(=O)c2ccco2)C=C1 1184847 YIWSSFRPFRYFNI-UHFFFAOYSA-N 350.330 3.060 30 50 FGEA CCCCCCCN[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 59835358 KKOFMYNHUDLHJO-KRWDZBQOSA-N 360.454 3.055 30 50 FGEA CC(C)c1ncc(CN2CCc3[nH]cnc3[C@H]2c2cccc(C#N)c2)cn1 72435054 UABROUWTEPCJPP-HXUWFJFHSA-N 358.449 3.342 30 50 FGEA N#CC1(CCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)CCCCC1 418783242 OLJQALVBCFQTAT-HXUWFJFHSA-N 353.422 3.080 30 50 FGEA CC(=O)Nc1ccc(/C=N\CC/N=C\c2ccc(NC(C)=O)cc2)cc1 104180307 WXSYKXUJWRCMHQ-JZTLMNBPSA-N 350.422 3.141 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(c3ncc4n3CCCC4)CC2)N=N1 952882377 VEONJNXTJHDOEI-UHFFFAOYSA-N 353.470 3.281 30 50 FGEA N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)sc2c1CCCC2 2826260 SMDQWWFZMQBGOH-UHFFFAOYSA-N 371.374 3.357 30 50 FGEA COc1ccc(C(=O)[C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1OC 71776408 SYJWKCLSMCKGLP-INIZCTEOSA-N 351.406 3.070 30 50 FGEA Cc1cncc(N=C(O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)c1 328626278 LMOBKYVWTCGUMG-HNNXBMFYSA-N 359.430 3.199 30 50 FGEA N#Cc1cc2n(n1)CCCN(C(=O)[C@@H]1CCCc3c1[nH]c1ccccc31)C2 584894153 LVFCSDADQRVYTC-GOSISDBHSA-N 359.433 3.088 30 50 FGEA O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21 3860918 BELBBZDIHDAJOR-UHFFFAOYSA-N 354.383 3.109 30 50 FGEA biogenic,in-man CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@@H]1c1ccc(F)cc1 1251295 IXTBKUNAHGWVSC-MRXNPFEDSA-N 355.321 3.013 30 50 FGEA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(c2ncccc2C#N)CC1 1857713924 XMQJQNAWPOCGHZ-UHFFFAOYSA-N 363.465 3.231 30 50 FGEA C=CCN(CC#Cc1ccccc1)C(=O)c1cc(=O)[nH]c2ccc(F)cc12 63868289 XPGDYYSDOPIZOE-UHFFFAOYSA-N 360.388 3.347 30 50 FGEA COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 217699666 MONOFHPNQNLHLJ-INIZCTEOSA-N 366.369 3.233 30 50 FGEA biogenic C=CCCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 12437779 PIXORRGWIGKZQK-QFIPXVFZSA-N 354.494 3.427 30 50 FGEA CCn1c2ccccc2c2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)nc21 3898153 BUXLWMISGSFFTN-YBFXNURJSA-N 361.365 3.354 30 50 FGEA C#CCCC1(CCNC(=O)Cc2cccc(OCc3cccnc3)c2)N=N1 2325890955 HQSKCWCDWJSWBP-UHFFFAOYSA-N 362.433 3.285 30 50 FGEA Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2cccc(Cl)c2)n1 4999318 VSTQOYOKQWXBMB-UHFFFAOYSA-N 352.785 3.057 30 50 FGEA N#Cc1ccccc1C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 67688348 HLZWTBSNTBCYMI-UHFFFAOYSA-N 373.368 3.140 30 50 FGEA C[C@H]1Sc2ccc(/C(O)=N/[C@H]3CCO[C@@H]3c3ccnn3C)cc2N=C1O 328591113 NABOADZDBWOYQL-XAGWURHQSA-N 372.450 3.337 30 50 FGEA COc1cc2c(cc1OC)C1(CCN(c3ccc(C#N)cn3)CC1)OCC2 1704314290 OLTXYJZHVMVNHX-UHFFFAOYSA-N 365.433 3.039 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)c2nnc(COc3ccccc3)o2)N=N1 2325899884 CJDKUJOYZCHLQZ-CQSZACIVSA-N 367.409 3.182 30 50 FGEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)Cc1ccccc1Cl 82166516 XKLRBGUTJUKCFL-AWEZNQCLSA-N 367.836 3.018 30 50 FGEA O=C(c1ccc(C#Cc2ccccc2)o1)N1CCN(c2ccccn2)CC1 892447 ADYWJMKZOMPJEZ-UHFFFAOYSA-N 357.413 3.037 30 50 FGEA C=CCN1C(=O)/C(=C/c2ccc(OC(C)=O)c(OCC)c2)SC1=S 15016431 FRPDMIJJCKGEEA-GDNBJRDFSA-N 363.460 3.398 30 50 FGEA CCOc1ccccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N 791101 YAEMATIOQFMFGW-UHFFFAOYSA-N 351.431 3.412 30 50 FGEA aggregator COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 5669025 BMWBLUFEXOWLAO-KRWDZBQOSA-N 368.345 3.092 30 50 FGEA C=CCN(Cc1ccccn1)C(=O)CCc1nc(-c2ccccc2F)no1 65398454 NMWYCDAVOBNTDQ-UHFFFAOYSA-N 366.396 3.418 30 50 FGEA Cn1cnc([N+](=O)[O-])c1Sc1nccc(NCc2ccccc2)c1C#N 22780902 ZOMCQKMMNYKUFO-UHFFFAOYSA-N 366.406 3.358 30 50 FGEA CC(C)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)S1 5562506 NOSDDQLEZXNITQ-OAHLLOKOSA-N 354.435 3.152 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)N=N1 2325886782 IYMQYDCMALRCKB-MRXNPFEDSA-N 367.453 3.012 30 50 FGEA C=CCOCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 2999780 SVRQAHCEAVMOSF-TZWRJOPASA-N 359.425 3.081 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 6812979 VPUZDMMTZUQIQN-SFHVURJKSA-N 369.392 3.359 30 50 FGEA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(O)=Nc1nc2ccsc2s1 328999438 GKVJQAUYWWPGHV-WCFLWFBJSA-N 367.496 3.419 30 50 FGEA COc1cccc([C@@H]2CN(c3cccc(C#N)n3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72166992 WEVODJFVDBTRGB-KSEOMHKRSA-N 360.461 3.028 30 50 FGEA C=CCNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1Cl 15821858 GKZUXTCEFGXBHL-QGOAFFKASA-N 370.836 3.422 30 50 FGEA C=CCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 4949345 JRMDCNPVBMWTEJ-AQTBWJFISA-N 366.373 3.403 30 50 FGEA CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccs1 20057730 QLERKHBATZMBJV-MRXNPFEDSA-N 374.462 3.261 30 50 FGEA CCOc1ccc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)cn1 67983305 LWTXJYSKFAJZGO-UHFFFAOYSA-N 362.389 3.377 30 50 FGEA Cc1cnccc1OC1CCN([C@H](C)C(O)=Nc2c(C)nn(C)c2C)CC1 329722189 AYKZJJOEPSYRQT-MRXNPFEDSA-N 371.485 3.260 30 50 FGEA CC(=O)Nc1ccc(-c2cc(-c3c(C)nn(C)c3C)nc(N)c2C#N)cc1 71763620 QJAKBCBORUYLLI-UHFFFAOYSA-N 360.421 3.178 30 50 FGEA Cc1cccc(C(=O)N[C@@]2(C#N)CC2(C)C)c1I 291405136 IHHVBMZWRDXUIZ-CQSZACIVSA-N 354.191 3.022 30 50 FGEA CC(=O)/C(=C/Nc1nc(C)cc(C)n1)S(=O)(=O)c1ccc(Cl)cc1 1037518 WGPLNAFMEKUNMB-DHDCSXOGSA-N 365.842 3.063 30 50 FGEA Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2Br)n1 1168698 FITYLHFTAOGRGW-RQZCQDPDSA-N 359.231 3.034 30 50 FGEA O=C1C(Nc2ccccn2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 1424528 VNYJAHQXYXJVNK-UHFFFAOYSA-N 367.368 3.186 30 50 FGEA C=CCc1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 19867477 VJJXLBGKOZOUEN-IBGZPJMESA-N 370.468 3.116 30 50 FGEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)NCc1ccc(-c2noc(C)n2)cc1 2325806719 CDZZVZGAYZRIFK-JLTOFOAXSA-N 357.454 3.405 30 50 FGEA C=CCNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 2961167 DQXGZOVIPRMTLT-UHFFFAOYSA-N 372.490 3.055 30 50 FGEA CCCCCC(=O)/C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27641378 LOLJEILMPWPILA-LBUJUINZSA-N 352.471 3.251 30 50 FGEA in-vitro COc1cncc([C@H](Nc2nc(C(C)C)ccc2C#N)[C@H]2C[C@@H](O)C2)c1 219360730 JSMZADDYTGHYMI-IDHHARJASA-N 352.438 3.404 30 50 FGEA CC(C)=CC[C@@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 1702730 BVRYLTBIGIAADD-MRXNPFEDSA-N 358.390 3.327 30 50 FGEA biogenic,in-vitro N#Cc1c(Br)cccc1NCc1cccnc1N1CCOCC1 225492306 RZNVTLOGNKSQOX-UHFFFAOYSA-N 373.254 3.164 30 50 FGEA Cc1ccc(C)c(S(=O)(=O)N/N=C(/c2ccccc2)c2ccccn2)c1 20573004 JDZOCOXUHJUFSU-XDOYNYLZSA-N 365.458 3.429 30 50 FGEA C[C@H](NCc1ccc(C#CCCO)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952975588 LJIACZBEQMAFBP-UECJLKTISA-N 353.506 3.230 30 50 FGEA FC(F)(F)c1cccc(N2CCN(/C(S)=N\C[C@@H]3CCCO3)CC2)c1 13556197 GCEIBLLNWJRDPK-HNNXBMFYSA-N 373.444 3.292 30 50 FGEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 13880722 ICKNYODQQJBQED-LFIBNONCSA-N 351.431 3.467 30 50 FGEA CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O 100380071 VADSKVJBLXFZOO-UHFFFAOYSA-N 350.370 3.177 30 50 FGEA CC(C)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)nc1 332403471 VRLAXZBWJDGRNI-UHFFFAOYSA-N 352.413 3.178 30 50 FGEA CC(C)CCN1C[C@]2(CCCN(C(=O)c3ccccc3C#N)C2)CCC1=O 77470145 GQHLZTYTLOGAHL-QFIPXVFZSA-N 367.493 3.449 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)cc1C 32575615 UGDGHJAYMGKGLL-NHDPSOOVSA-N 372.425 3.145 30 50 FGEA COc1ccc(CNC(=O)N[C@H](c2nccs2)C(F)(F)F)cc1C#N 836693690 YZRZGHVNXSEGPB-GFCCVEGCSA-N 370.356 3.126 30 50 FGEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 2055182 JDYMVSLORUCPCK-IBGZPJMESA-N 353.418 3.392 30 50 FGEA Cc1ccc(CN2CCN(c3nccnc3C#N)CC2)c(Cl)c1Cl 65425036 UBQDGPHLYBNMLV-UHFFFAOYSA-N 362.264 3.286 30 50 FGEA Cc1ccc(C#N)c(N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1 72120766 LBVPIABVWGYYOV-QGZVFWFLSA-N 354.841 3.171 30 50 FGEA CO/N=C(\C)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20404902 OLABTGXLCHXHHW-FUGUBPHRSA-N 350.728 3.333 30 50 FGEA C=CCC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 12306395 YGHDFZRZLWWJNL-QGZVFWFLSA-N 351.406 3.380 30 50 FGEA C=C(C)CNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 19224082 OARSGNIKNHAVNN-HXUWFJFHSA-N 355.526 3.055 30 50 FGEA N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CC2=CCCCC2)c(F)c1 1857705781 VMOOKTUFRHZSNH-OALUTQOASA-N 367.424 3.013 30 50 FGEA COC[C@@H]1CCCN(/C(O)=N/Cc2cc(OC)ccc2Br)C1 330761641 NHGPODRWEZFVGQ-GFCCVEGCSA-N 371.275 3.230 30 50 FGEA Cc1nsc(NC[C@]2(CNC(=O)c3ccoc3)CC23CCC3)c1C#N 1875408013 MNTKNIULUPQZLQ-GOSISDBHSA-N 356.451 3.319 30 50 FGEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 2325807030 VOFGGOKTVTWCAE-GCJKJVERSA-N 372.509 3.023 30 50 FGEA Cc1ccncc1N/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328643353 YURLAJIGCZPUMF-NSHDSACASA-N 353.348 3.194 30 50 FGEA C#CCCC1(CCNC(=O)c2c(C)cc(=O)n(-c3ccccc3)c2C)N=N1 2325891614 QPYFMXQNPSRUFY-UHFFFAOYSA-N 362.433 3.150 30 50 FGEA C=C(C)COc1ccccc1C(=O)N(Cc1ccccn1)[C@H](CC)CO 55053342 NWTOENBPMXZVLB-GOSISDBHSA-N 354.450 3.450 30 50 FGEA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(C(F)(F)F)c2F)C1 379021600 BHQOQQRTAKHIOB-GMSGAONNSA-N 358.257 3.339 30 50 FGEA N#Cc1c[nH]c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1 299761499 SQMYAMSNSOGHFL-SFHVURJKSA-N 356.857 3.497 30 50 FGEA COc1ccc([C@H](C)N(C)C(=O)c2ccc(C#CC(C)(C)O)o2)c(OC)c1 952964633 MWAOBNAELFUXHI-AWEZNQCLSA-N 371.433 3.252 30 50 FGEA C=CCOc1ccccc1CN1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1F 11787650 SOPLRLXFVYETFZ-LPHOPBHVSA-N 352.409 3.380 30 50 FGEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC1CCCCC1)C2 14531381 AOEFIQDATARMGA-SFHVURJKSA-N 370.541 3.332 30 50 FGEA Cc1ccc(-c2nc(C#N)c(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)o2)cc1 1857799246 SSFKHBXCSSEWDW-WBVHZDCISA-N 372.428 3.307 30 50 FGEA CCN1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)CC1 16607009 GKDNVCDPBWGXHI-UHFFFAOYSA-N 359.477 3.380 30 50 FGEA C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(-c2nnn(C)n2)cc1 55108293 NUKMKKDIPZRVDX-UHFFFAOYSA-N 353.451 3.075 30 50 FGEA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccc(C#N)cc2F)n1C 328629467 IGPDZVCNVIIUBS-GOSISDBHSA-N 354.429 3.123 30 50 FGEA Cc1cc(C(=O)NC2(C#N)CCOCC2)cc(Cl)c1Br 284330716 LMKPOJBPDPHCIX-UHFFFAOYSA-N 357.635 3.214 30 50 FGEA C=CCOc1c(Br)cc(/C=C2/C(=O)ON=C2C)cc1OC 4320984 HMIAITMIMICAAW-IZZDOVSWSA-N 352.184 3.339 30 50 FGEA CC(C)(C)c1ncc(/C(O)=N/Cc2cccc(N3CCOCC3)n2)s1 330047346 HOTDEISPBNFWNL-UHFFFAOYSA-N 360.483 3.177 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cn(CC)nc1C 5728194 OSNANNJFMWYUDL-GOSISDBHSA-N 371.481 3.379 30 50 FGEA N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 4682051 QKYDKIXIASQQQF-UHFFFAOYSA-N 354.149 3.379 30 50 FGEA Oc1ccc(Br)cc1/C=N/N1CCN(c2ccccc2)CC1 946014 DCVIUVQRHBTMOK-CPNJWEJPSA-N 360.255 3.311 30 50 FGEA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2sccc2C#N)CC1 328653431 WVYHBEFSDPJZJX-QGZVFWFLSA-N 354.479 3.141 30 50 FGEA C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 827180 MNSKHNCMACWRNE-ZDUSSCGKSA-N 363.255 3.003 30 50 FGEA Cc1c(/C=N/Nc2cccc3cccnc23)c(=O)n(-c2ccccc2)n1C 5009640 ZSNCRDPVELIHAG-OEAKJJBVSA-N 357.417 3.479 30 50 FGEA C=C(C)CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 15071020 BWVHQIGSSRLVLP-LJQANCHMSA-N 367.497 3.375 30 50 FGEA CN1CCC2(CC1)C[C@@H](/N=C(/O)CCc1ncc[nH]1)c1ccccc1O2 329257057 XYJFOKYFVSVMIN-MRXNPFEDSA-N 354.454 3.287 30 50 FGEA Cc1cccc(N2CCN(/C(O)=N/Cc3noc4c3CCCC4)CC2)c1C 329718340 YQCHVNSGQLBKFS-UHFFFAOYSA-N 368.481 3.406 30 50 FGEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 2325807711 NYALKXCFKSOXQV-UGGKCQTMSA-N 359.510 3.354 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2nnc(COc3ccccc3)o2)N=N1 2325899883 CJDKUJOYZCHLQZ-AWEZNQCLSA-N 367.409 3.182 30 50 FGEA CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 122158117 HKFSLSROBHHZOK-FZMZJTMJSA-N 368.264 3.401 30 50 FGEA C=CCOC(=O)N1CCCn2nc(-c3nc4ccc(F)cc4[nH]3)cc2C1 67712720 VPOZLFSTNCDYMG-UHFFFAOYSA-N 355.373 3.094 30 50 FGEA C=C(C)CN(CC)C(=O)c1cccc(-c2ccc(CNC(C)=O)cn2)c1 299799734 ZNQHPEMEQNOUIB-UHFFFAOYSA-N 351.450 3.423 30 50 FGEA O=C(C#Cc1ccccc1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 12051839 XJOGXOKFGGWWCO-IBGZPJMESA-N 354.413 3.084 30 50 FGEA CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 19774882 MUSHEBVNKPRDCM-LJQANCHMSA-N 370.449 3.019 30 50 FGEA C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 1049469 KXEPHDSNKOJKIT-KRWDZBQOSA-N 362.341 3.432 30 50 FGEA C=CCN1CCC[C@H]1C(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 67895870 BUDJBLQWTVFXJX-FQEVSTJZSA-N 364.493 3.433 30 50 FGEA Cc1cc([C@H]2CCCN2/C(O)=N/CC2CCN(c3ccncc3)CC2)on1 329139413 IVXOLJIZNHLRHO-GOSISDBHSA-N 369.469 3.346 30 50 FGEA COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)c(OC)c1 19138260 SEPAQFVQXQVCSK-SFHVURJKSA-N 367.401 3.220 30 50 FGEA COc1ccc2oc(=O)c(-c3cs/c(=N\N=C\c4ccco4)[nH]3)cc2c1 4811373 RFKMNGQJIAKLDL-DJKKODMXSA-N 367.386 3.386 30 50 FGEA C=CC(=O)N1Cc2ccccc2C[C@H]1/C(O)=N/CCc1ccc(F)cc1 328600543 YMAYNRKOLQYJKD-IBGZPJMESA-N 352.409 3.464 30 50 FGEA NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 1228851 HDZLZBMYKGRFHT-BQYQJAHWSA-N 371.245 3.449 30 50 FGEA C#CCCC1(CCC(=O)N2CCC([C@@H](O)c3cccc(OC)c3)CC2)N=N1 1875368697 LICSMZYROYTHSV-HXUWFJFHSA-N 369.465 3.323 30 50 FGEA CCCN1CCN(CC(=O)Nc2sccc2C#N)c2cc(F)ccc21 225666830 NTJXIYJLBMRPPW-UHFFFAOYSA-N 358.442 3.434 30 50 FGEA CN(C)C(=O)c1ccc([C@H]2CCCN2Cc2ccc(C#CCO)s2)s1 20774155 QZKCJNOWAPEBGM-MRXNPFEDSA-N 374.531 3.192 30 50 FGEA Sc1nnc(-c2ccccc2Br)n1/N=C/c1ccccn1 6059942 SNXSMTZQLURTNL-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA CCCCCCCCCCCCN(CCOCCO)C(=O)/C=C\C(=O)O 100167250 MXHXVUJWOPKXKE-SEYXRHQNSA-N 371.518 3.386 30 50 FGEA Cc1ccc([C@@H]2CN(Cc3ccccc3C#N)C[C@H]2NC(=O)C2CC2)cc1 77354137 SBUHRNWNCZZATN-FCHUYYIVSA-N 359.473 3.361 30 50 FGEA CC(C)n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/Cc1nnc(C2CCC2)n1C 328604188 ITPVAGGLESEMHJ-YOEHRIQHSA-N 372.473 3.094 30 50 FGEA COc1cccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c1OC 100209243 CJCQZPZVQHONAK-CQSZACIVSA-N 364.353 3.068 30 50 FGEA N#Cc1ccc(NC(=O)N2CCC[C@@H](OCc3ccccn3)C2)c(F)c1 299781392 KYJSMABZMBLAPV-MRXNPFEDSA-N 354.385 3.305 30 50 FGEA CCN1CCN(c2nc(SC)nc(-c3ccc(C)cc3)c2C#N)CC1 5607422 VKELDQRCVHEYCR-UHFFFAOYSA-N 353.495 3.188 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)N=N1 2325891136 SLOUFNSRQGVGRT-QGZVFWFLSA-N 366.465 3.128 30 50 FGEA COc1ccc(/C=C/C(=O)c2c(Br)cnn2C)cc1OC 6925455 HHGKZJPARHYIPW-GQCTYLIASA-N 351.200 3.096 30 50 FGEA CCOC(=O)N1CCc2nc(N)c(C#N)c(-c3ccc4[nH]ccc4c3)c2C1 72137376 YDKYPVKNPXXWHG-UHFFFAOYSA-N 361.405 3.198 30 50 FGEA Cc1cnccc1N1CCCN(C(=O)Nc2ccc(C#N)cc2F)CC1 96137624 QFPVAWWGPZPLQQ-UHFFFAOYSA-N 353.401 3.145 30 50 FGEA Cc1cc2c(cc1B1OC(C)(C)C(C)(C)O1)ncn2C(=O)OC(C)(C)C 169809849 MOQNZLDCVCZKFK-UHFFFAOYSA-N 358.247 3.427 30 50 FGEA Cc1nnc(C[C@@H]2CC[C@H](Nc3ccc(C(F)(F)F)c(C#N)n3)C2)o1 952890853 KLUDOHVHDOBTLT-MNOVXSKESA-N 351.332 3.487 30 50 FGEA N#Cc1ccccc1NC(=S)NC(=O)c1ccc(Br)cc1 1142417 LTYMJYRLZRWMEN-UHFFFAOYSA-N 360.236 3.448 30 50 FGEA CCc1cc(C)cc(OCCOc2ccccc2/C=N/n2cnnc2)c1 2964755 DVVSEKMXNJZTGK-YDZHTSKRSA-N 350.422 3.489 30 50 FGEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)CC(=O)Nc1cc(OC)ccc1OC 210426962 DZYURHINGIQRPU-GJZGRUSLSA-N 358.438 3.154 30 50 FGEA O=c1c2c3c(sc2ncn1/N=C/c1ccc([N+](=O)[O-])cc1)CCCC3 827377 BOIZQIXFPJUVGU-DJKKODMXSA-N 354.391 3.127 30 50 FGEA N#Cc1ccccc1-c1ccc(CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1 1875399992 OHAJNQWLYGZKGU-CDNPAEQRSA-N 372.472 3.351 30 50 FGEA CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 17146163 FNOLERHJNSQBGT-HNNXBMFYSA-N 372.764 3.456 30 50 FGEA N#Cc1cnn2c(O)cc(CNC3(Cc4ccccc4F)CCCC3)nc12 2325849877 CXHBLHLXEKVZAQ-UHFFFAOYSA-N 365.412 3.091 30 50 FGEA C=C(C)COc1cccc(C(=O)N(Cc2ccccn2)[C@@H](CC)CO)c1 55131351 XKGUJRFKOKZURS-IBGZPJMESA-N 354.450 3.450 30 50 FGEA COc1cccc([C@@H]2CCN(Cc3ccc(C#CCO)cc3)C2)c1OC 952991261 WEIQJNYAUPRDBC-LJQANCHMSA-N 351.446 3.037 30 50 FGEA COc1ccc(-c2nc(N)c(C#N)c(-c3ccc(C(N)=O)cc3)c2C)cc1 67723551 FXCZFOIZMXSGNM-UHFFFAOYSA-N 358.401 3.285 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)N=N1 1875382351 YPAIXDZDTNMZRB-UHFFFAOYSA-N 350.426 3.237 30 50 FGEA CCOCCN1CCN(c2c(C#N)cnc3c(Cl)cccc23)C[C@@H]1C 1875304055 XZVJNMSDGFNPIV-AWEZNQCLSA-N 358.873 3.307 30 50 FGEA COc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1OC 1475911 RLLMGDJLYIBNKB-YBFXNURJSA-N 370.434 3.045 30 50 FGEA C/C(=N\N)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\N)CC[C@]4(C)[C@H]3CC[C@@]21C 118919434 BAGRWRUJCMXJQI-UFFAXEMTSA-N 358.530 3.330 30 50 FGEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 632605 ANTTUCZKNUXJJO-AWEZNQCLSA-N 361.825 3.440 30 50 FGEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1Br 105214630 WBSFXZTVKOZXJL-ZCXYBJPXSA-N 373.250 3.289 30 50 FGEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(Cl)cc1)CCN2C 91364896 SESQITPYSGYIEW-FQEVSTJZSA-N 361.917 3.025 30 50 FGEA C[N@+]1(CC(=O)c2ccc([N+](=O)[O-])cc2)CCc2[nH]c3ccccc3c2C1 245311697 QMLGJIOOYKINLZ-QHCPKHFHSA-N 350.398 3.462 30 50 FGEA C=CCNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12711415 QKALGMWSJOIKHY-KRWDZBQOSA-N 362.477 3.151 30 50 FGEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1OC 1066046 MTEJYMAWMXWQGM-GOSISDBHSA-N 371.364 3.332 30 50 FGEA CCc1ccc(C(=O)C[n+]2ccc(C(=O)NCc3ccccc3)cc2)cc1 2597194 YQPZTOWSBBSUTN-UHFFFAOYSA-O 359.449 3.349 30 50 FGEA C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1 9304419 UDFICLZQBKMGRP-UHFFFAOYSA-N 372.479 3.022 30 50 FGEA C[C@H](CO)CN(Cc1ccccc1)Cc1ccc(C#CC(C)(C)O)cc1 63845529 VUYLNEMQJWUORX-IBGZPJMESA-N 351.490 3.440 30 50 FGEA COc1cccc([C@@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1 137061320 WNNKDNBPUPCCPU-WOUAJJJCSA-N 362.389 3.204 30 50 FGEA O=C(Nc1cccc(C(F)(F)F)c1)ON1C(=O)c2ccccc2C1=O 2155773 ISUHQGWIOQWPKL-UHFFFAOYSA-N 350.252 3.465 30 50 FGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)C2(c3cccc(F)c3)CC2)C1 328643576 RLCCPMNRHKBMFG-UHFFFAOYSA-N 360.429 3.141 30 50 FGEA O/C(=N/CCc1cnc(C2CC2)nc1)N1CCc2c(F)ccc(F)c2C1 328860092 LIUYIAWMYHPGLS-UHFFFAOYSA-N 358.392 3.147 30 50 FGEA Cc1cc(S(=O)(=O)Nc2c(C)nn(CC#N)c2C)c(Cl)cc1Cl 2325811691 UVCYYNSWXTYMQY-UHFFFAOYSA-N 373.265 3.440 30 50 FGEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 1004072 RGXAJUWZMWVKOA-UHFFFAOYSA-N 362.476 3.363 30 50 FGEA C=CCN1C[C@H](C)N(C(=O)c2ccc(-c3cccc(OC)n3)cc2)C[C@@H]1C 1565507595 WAZSENLHSMVNIR-IRXDYDNUSA-N 365.477 3.478 30 50 FGEA C#C[C@H](C)Oc1ccc(COC(=O)c2ccc(N3CCCC3)nc2)cc1 170617239 GBUKGDZBOMEVIW-INIZCTEOSA-N 350.418 3.439 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccnc1 6726684 ONRCVOCYTFNBGC-UHFFFAOYSA-N 357.483 3.067 30 50 FGEA N#Cc1ccccc1-c1ccc(CN2CCC(CN3CCOCC3)CC2)o1 77319095 MBAQDVIHQQRCIQ-UHFFFAOYSA-N 365.477 3.362 30 50 FGEA COc1ccc(NS(=O)(=O)c2nc(C)c(Cl)c(C)c2C#N)cc1 1428483 BSRIHHKDJHJPGY-UHFFFAOYSA-N 351.815 3.033 30 50 FGEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3cccc(C#N)c3)o2)cc1 170623846 AMLTVIHBPWOAAW-UHFFFAOYSA-N 363.398 3.367 30 50 FGEA C=CCc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)ccc1OC 952961333 CEOQFWAVGLVVHU-ZDUSSCGKSA-N 366.417 3.420 30 50 FGEA Cc1ccccc1C[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)NC1=O 18209377 QQCZBJUVGWLSFY-LANLRWRYSA-N 366.490 3.225 30 50 FGEA Cc1ccc(CN2CCN(/N=C/c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 19791045 UEOWIYVGOTXFDR-KGENOOAVSA-N 352.438 3.363 30 50 FGEA C=CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)OC(C(F)(F)F)C(F)(F)F 23279717 XTJQYCIFINHYHJ-DTWKUNHWSA-N 360.250 3.334 30 50 FGEA Cc1cc(C)c(C#N)c(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1 95358346 NPSXPTFYDDXPGG-SFHVURJKSA-N 360.461 3.213 30 50 FGEA Cc1cccc(NC(=S)NC(N)=Nc2nc(C)c3ccc(C)cc3n2)c1 17950932 HBMKYTBXLLTTGT-UHFFFAOYSA-N 364.478 3.488 30 50 FGEA aggregator CC(=O)c1ccc(/N=C2\NC(=O)[C@H](CC(=O)c3ccccc3)S2)cc1 252494982 OJWDWOWXSGOUTD-KRWDZBQOSA-N 352.415 3.381 30 50 FGEA CC(C)C(=O)N1CCC[C@H]2CN(c3snc(Cl)c3C#N)CC[C@H]21 1875280593 YSPQZQAWMLNOLY-WCQYABFASA-N 352.891 3.141 30 50 FGEA CN(Cc1cc(C#CCO)cs1)C[C@H]1CCN(Cc2ccccc2)C1 383170554 XYYCPPYAJQYTFV-HXUWFJFHSA-N 354.519 3.046 30 50 FGEA C=CCN(CC=C)C(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F 23115504 NVBTXZQCAXMZRB-UHFFFAOYSA-N 357.319 3.488 30 50 FGEA CC1(C)C[C@]1(C#N)NS(=O)(=O)c1ccc(Cl)c(Br)c1 331959103 LFAFXANYMZGFSX-GFCCVEGCSA-N 363.664 3.073 30 50 FGEA C=CCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 12343736 ZUJDZBDVWPTWAG-RVDMUPIBSA-N 354.387 3.398 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 19138445 JILXASGYBXVHIA-INIZCTEOSA-N 352.346 3.111 30 50 FGEA Cc1cccc2[nH]cc(C/C(O)=N/C[C@H]3CCn4ncc(C(=N)O)c4C3)c12 328606023 QDSAPBJUCKRUGZ-ZDUSSCGKSA-N 365.437 3.318 30 50 FGEA C#CCCC1(CCC(=O)Nc2cnc3n2C[C@H](C(F)(F)F)CC3)N=N1 2325900199 ORGPYOJTDNYRMW-LLVKDONJSA-N 353.348 3.302 30 50 FGEA Cn1nnc2cc(NC(=O)N3CCC(C#N)(c4ccccc4)CC3)ccc21 97654224 ICLNTJPLJSJGLL-UHFFFAOYSA-N 360.421 3.058 30 50 FGEA CCCOc1cc(Cl)c(-c2c(C#N)c(N)nc3c2CNCC3)cc1OC 72171194 VAXIZMVWTWPAEE-UHFFFAOYSA-N 372.856 3.299 30 50 FGEA N#Cc1ccc(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)nc1 72165251 JJIQGBLRGSKYPJ-CQSZACIVSA-N 360.339 3.185 30 50 FGEA Cc1cccc(NC(=O)CCNCc2ccc(C#CC(C)(C)O)s2)c1 952970955 GCMZGTWMLMINEI-UHFFFAOYSA-N 356.491 3.297 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(N(C)C)cc2)cc1 5583873 PZKKJJAAKNJFTQ-SFHVURJKSA-N 350.418 3.269 30 50 FGEA CCOc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Cl)cc1 17299770 XEKWXCCGOPXZTC-KEBDBYFISA-N 363.870 3.485 30 50 FGEA Cc1ccc(/N=C2/NC(=O)C[C@@H](C(=O)Nc3ccc(F)cc3)S2)cc1 17952827 SROZHKPGVUYTPB-HNNXBMFYSA-N 357.410 3.382 30 50 FGEA C#CCCC1(CCNC(=O)c2cc(NC(=O)C(C)C)c(F)cc2F)N=N1 1875381306 QFLRAFUNEZEXAB-UHFFFAOYSA-N 362.380 3.255 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1219694 AHJNKHUMWMOWCD-QGZVFWFLSA-N 352.346 3.392 30 50 FGEA C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 6697284 RFKSXIDDFFGJEG-UHFFFAOYSA-N 355.419 3.114 30 50 FGEA COc1ccc(Cl)cc1NC(=O)c1sc2nc(N)c(C#N)cc2c1N 20000511 FQLYPTICHRBTPL-UHFFFAOYSA-N 373.825 3.247 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)n1 72406758 NIRMIAUJMQHYFQ-GOSISDBHSA-N 362.481 3.344 30 50 FGEA CC1(C)CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@H]1[C@H]1CCCO1 329109561 IZPOMJYKYYAUJG-OCCSQVGLSA-N 353.344 3.002 30 50 FGEA Cc1nc(SCC(=O)N(C)CCCn2ccnc2C)c(C#N)c(C)c1C 130603060 KSPFXXHQJNEFGK-UHFFFAOYSA-N 371.510 3.024 30 50 FGEA C=CCN1C[C@H](C)N(C(=O)c2ccc(-c3cc(N)ccn3)cc2)C[C@@H]1C 1565525709 HBNXCFGIWJJYHS-HOTGVXAUSA-N 350.466 3.052 30 50 FGEA N/C(=N\OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccn1 5059800 BUXSOIFZABDXAW-UHFFFAOYSA-N 374.611 3.284 30 50 FGEA COc1ccc(/C=C/C(=O)c2sc(NC(N)=S)nc2C)cc1OC 5678629 LHFFWFXCUPKWAU-GQCTYLIASA-N 363.464 3.020 30 50 FGEA C=C1CC[C@@]23C(=O)O[C@@H]4O[C@H](c5ccoc5)C[C@@]14[C@@H]2CCC=C3C(=O)OC 238752549 FFWVQGRKTCTNRG-LPKWFMKBSA-N 370.401 3.456 30 50 FGEA biogenic C#CCCC1(CCC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)N=N1 952880106 CBCHSYPNSUWNMP-MRXNPFEDSA-N 354.454 3.374 30 50 FGEA COC(=O)c1cc(Cl)c2c(B3OC(C)(C)C(C)(C)O3)ccc(C)c2n1 170004774 UNRROGTUCGTMMT-UHFFFAOYSA-N 361.634 3.282 30 50 FGEA C#C[C@H](/N=C(/O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(C)C 328589936 UXUZPYLMWUSSJK-ZDUSSCGKSA-N 353.205 3.204 30 50 FGEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1sccc1C#N 328625783 LAZZNNWNMWHFRL-JTQLQIEISA-N 368.384 3.170 30 50 FGEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2C(=O)O)cc1 6954575 JFFUAHIAJYUSLE-HCZVKUGISA-N 360.435 3.211 30 50 FGEA COC(=O)c1cc(C#N)c(-c2ccc(C(=O)NC(C)(C)C)cc2)nc1C 534642882 GVVAYEBGAUKYHA-UHFFFAOYSA-N 351.406 3.244 30 50 FGEA C=CCC1(CC=C)CCCN1Cc1cnc(S(C)(=O)=O)n1CC(C)C 12434302 FGFVIZUSNUPBKX-UHFFFAOYSA-N 365.543 3.429 30 50 FGEA Cc1cc(N2CCC(c3nnc4n3CCCCC4)CC2)nc(C)c1C#N 2356153997 DBZTUXWVBOTWIR-UHFFFAOYSA-N 350.470 3.272 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(O)c1 100231434 JYYPELVLNKVLGT-GOSISDBHSA-N 371.433 3.178 30 50 FGEA COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2cccc(C#N)c2)C3)cc1 67740860 DVSGRJRURNOLDS-UHFFFAOYSA-N 370.412 3.104 30 50 FGEA C=CCn1nc(C(=O)O)c2c1CC[C@H](NCc1c(F)cccc1Cl)C2 67757561 LEDXFPHRVGLKID-NSHDSACASA-N 363.820 3.207 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)o1 952968771 GGWLDRDYAWDCTN-LJQANCHMSA-N 367.445 3.223 30 50 FGEA CCCC[C@H](CN=c1ccc(C#N)n[nH]1)NC(=O)[C@H]1CC[C@H](CC)CC1 1875328061 WKJFJWXQVRTXNC-JFIYKMOQSA-N 357.502 3.073 30 50 FGEA CCOc1cc(C#N)c(NC(=O)c2ccc(C(=O)OC)cc2)cc1OCC 4452416 BXRBTUQEOLHQNW-UHFFFAOYSA-N 368.389 3.395 30 50 FGEA C#CCCC1(CCNC(=O)c2csc(COc3ccccc3)n2)N=N1 2325891726 YLTHCWBUGGSSSV-UHFFFAOYSA-N 354.435 3.418 30 50 FGEA N#Cc1ccc(CNC2CCN(c3ccc(N4CCCC4=O)cc3)CC2)cc1 23159564 FBHBPQGAMMGECO-UHFFFAOYSA-N 374.488 3.444 30 50 FGEA CNC(=O)c1ccc([C@H]2CCCCN2C/C(O)=N/Cc2cccs2)n1C 328626848 FMWHJZRDNJNJHT-MRXNPFEDSA-N 374.510 3.130 30 50 FGEA CCn1ccnc1[C@H]1CCCCN1/C(O)=N/Cc1c(C)cc(C)nc1O 330297131 KQLIELVMWUHNMT-MRXNPFEDSA-N 357.458 3.262 30 50 FGEA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc(C#N)cc2)C3)c1 96148599 SHTWZZXTYOWWMV-UHFFFAOYSA-N 358.401 3.155 30 50 FGEA COc1ccc(OC)c(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 19849707 VZTDYVPOAGQIDL-UHFFFAOYSA-N 353.418 3.405 30 50 FGEA COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(F)cc(C#N)c2)c1 1875316689 AWVQVHPDLYKXGJ-UHFFFAOYSA-N 354.790 3.298 30 50 FGEA N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCC2 4652747 RILGFZUVCUWCTR-QWRGUYRKSA-N 350.827 3.280 30 50 FGEA O/C(=N/[C@@H]1CCN(C2CC2)C1)c1csc(-c2ccc3c(c2)OCO3)n1 328712899 CNEMKQCNAGLKEQ-GFCCVEGCSA-N 357.435 3.080 30 50 FGEA CC(=O)c1ccc(/N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1 252494983 OJWDWOWXSGOUTD-QGZVFWFLSA-N 352.415 3.381 30 50 FGEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cc(C#N)cs2)NC(=O)N1 176187373 KUQLKNTUSXEMEM-OAHLLOKOSA-N 356.382 3.025 30 50 FGEA CCN(C[C@@H](C)C#N)C(=O)c1cnc2ccc(Br)cc2c1O 170594479 STZJABXMLXYVTM-JTQLQIEISA-N 362.227 3.325 30 50 FGEA C#CCCC1(CCNC(=O)c2ccccc2COC2CCOCC2)N=N1 2325891204 YDJRAPAOTCGRML-UHFFFAOYSA-N 355.438 3.078 30 50 FGEA N/C(Cc1ccc(Cl)cc1)=N\OC(=O)COc1ccccc1Cl 4901430 AXIXRPKACAXTLS-UHFFFAOYSA-N 353.205 3.430 30 50 FGEA OCC#Cc1csc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1 67850094 PLJFOXYBVXBWHM-ZWKOTPCHSA-N 355.507 3.220 30 50 FGEA Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1C#N 5580004 CZNBOQATLLISTO-UHFFFAOYSA-N 369.475 3.070 30 50 FGEA C#C[C@@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)[C@@H]1CCCO1 239761406 CJVBMIPENOLHNQ-RTWAWAEBSA-N 364.445 3.218 30 50 FGEA Cc1ccc2[nH]c(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(C)c2c1 91518928 MRERAMRFDRULRR-UHFFFAOYSA-N 359.433 3.014 30 50 FGEA C=C(C)[C@@H](N[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 187772904 QCSRALQZUJMPRS-KZULUSFZSA-N 373.403 3.298 30 50 FGEA C/C(CCS(=O)(=O)c1ccccc1)=N\OCc1ccc([N+](=O)[O-])cc1 5289702 WYXLFWAGXWJCPM-NBVRZTHBSA-N 362.407 3.351 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1/C=C/c1ccccc1 2502065 HGDYABGMCQSIGC-SCOAYWHSSA-N 368.458 3.407 30 50 FGEA Cc1c(C#N)c(NC(=O)Cn2ccsc2=O)n(C2CCCCC2)c1C 331632981 ZFGAQCFSBDPSON-UHFFFAOYSA-N 358.467 3.344 30 50 FGEA Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)C#CC(C)C 952895284 SWVGAYOSRMGFQR-HXUWFJFHSA-N 365.477 3.108 30 50 FGEA N#Cc1ccccc1CN1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356136359 RCFIIUHGYSJRCA-JOCHJYFZSA-N 360.461 3.110 30 50 FGEA N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 2872012 DIQZDMITPBMYAW-UHFFFAOYSA-N 362.414 3.039 30 50 FGEA C=CCN(CC=C)C(=O)C(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C 4054610 KCNIUTNPOLYBGF-UHFFFAOYSA-N 367.405 3.386 30 50 FGEA CCn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)cc1C#N 95372862 FFMWGSFRIANGBY-FQEVSTJZSA-N 362.477 3.018 30 50 FGEA O=S(=O)(OCC(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100451290 SDJUPHWJHCYGLN-UHFFFAOYSA-N 364.132 3.024 30 50 FGEA in-vitro CC(C)(C)OC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 170007899 SAUVAJYHMCIQNE-UHFFFAOYSA-N 351.227 3.150 30 50 FGEA in-vitro C=CCOc1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1 4865933 NUZLKLDZRAVQOI-UHFFFAOYSA-N 352.434 3.222 30 50 FGEA Cc1noc(C)c1C/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328635435 USPBUFDQKMCASF-LLVKDONJSA-N 356.348 3.268 30 50 FGEA C[C@@H]1CCN(/C(O)=N/C[C@H]2CCCS(=O)(=O)C2)CC12CCCCC2 329709199 MWHVXVHGGQNTDT-HZPDHXFCSA-N 356.532 3.018 30 50 FGEA O/C(=N/[C@@H]1CCCN(c2cccnn2)C1)[C@H]1CCCN1c1ccccc1 330235290 TVUUNHNIUABNAB-SJLPKXTDSA-N 351.454 3.071 30 50 FGEA Cc1c(C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)cnc(O)c1C#N 72423198 PTDQGRBONXSNIX-UHFFFAOYSA-N 366.808 3.301 30 50 FGEA Cc1ccc(C)c(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)c1 223821446 IJEDHVFCJMMMGO-NHCUHLMSSA-N 364.445 3.070 30 50 FGEA COC(=O)c1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 244811627 SIBSISCNTXQXEG-UHFFFAOYSA-N 371.868 3.278 30 50 FGEA C=CCc1cccc(/C=N\N2CCN(c3ccccc3OC)CC2)c1O 5058976 AOZZJYGEVUPNIO-JWGURIENSA-N 351.450 3.285 30 50 FGEA COc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1OC 5893981 UFVFDDPFVQEESI-VXLYETTFSA-N 358.398 3.272 30 50 FGEA Cn1ccc(-c2cc(-c3cccc(Cn4cccn4)c3)c(C#N)c(N)n2)c1 67605934 KDLUUDXAUDWJKC-UHFFFAOYSA-N 354.417 3.453 30 50 FGEA CN(Cc1cccc(C(=O)Nc2ccc(C#N)cn2)c1)C[C@H]1CCCCO1 67867613 GXXFKELLCUAUTL-LJQANCHMSA-N 364.449 3.206 30 50 FGEA C[C@@H]1CC(C)(C)CC[C@@H]1N/C(O)=N/Cc1ccc(NS(C)(=O)=O)cc1 331181700 RSFTVIBQCLSRJX-CJNGLKHVSA-N 367.515 3.277 30 50 FGEA Cc1ccc(C)c(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)c1 1565530728 IJEDHVFCJMMMGO-SFTDATJTSA-N 364.445 3.070 30 50 FGEA CC(C)(C)OC(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 169746704 RCPDEZAVXYLSOR-UHFFFAOYSA-N 359.275 3.279 30 50 FGEA in-vitro N#Cc1ccc(C(F)(F)F)cc1N1CC[C@@H](C2CC2)[C@H]1c1nc(O)n[nH]1 1875399766 ITEVBECEWSMKPA-JSGCOSHPSA-N 363.343 3.378 30 50 FGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(N(C)C)cc1 1187105 SMEPKCPRFYHTPQ-IBGZPJMESA-N 350.418 3.237 30 50 FGEA C=CCOc1cccc(CN(CC)C(=O)[C@H](C)Cn2nc(C)nc2C)c1 55568693 WRMRUXZXETWKIU-OAHLLOKOSA-N 356.470 3.145 30 50 FGEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N[C@@H](C)CC)nc2c1=O 72480590 MPDWCHHLUFLYHY-LBPRGKRZSA-N 368.437 3.087 30 50 FGEA CC1(C)C[C@]1(C#N)NS(=O)(=O)c1cc(Cl)ccc1Br 332019895 VLFPHLQLXQRMGG-GFCCVEGCSA-N 363.664 3.073 30 50 FGEA CNC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 1053143 LGZXDOMBVPPKKI-UHFFFAOYSA-N 351.353 3.477 30 50 FGEA CCOc1ccc(Br)cc1[C@@H]1NC(=S)NC(C)=C1C(C)=O 1126798 DICRXQUAKUJHQT-AWEZNQCLSA-N 369.284 3.230 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1F 2502055 OHFIYLZHMPSIDK-MRXNPFEDSA-N 360.410 3.205 30 50 FGEA CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 20028845 XFZUHKSQXCYEJT-HXUWFJFHSA-N 366.461 3.373 30 50 FGEA C[C@@H](Nc1ncc(I)cn1)c1ccc(C#N)cc1 127023873 IBWGHLINQBNDFT-SECBINFHSA-N 350.163 3.126 30 50 FGEA CC1(C)CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H]1[C@H]1CCCO1 329109562 IZPOMJYKYYAUJG-TZMCWYRMSA-N 353.344 3.002 30 50 FGEA CCN1CCC[C@@H](CN(C)C(O)=Nc2cnccc2C)[C@@H]1c1cnn(C)c1 328623419 JCXDLORYAJZKKI-QFBILLFUSA-N 370.501 3.074 30 50 FGEA CCC(CC)CN1CC2(CCN(C(=O)c3ccccc3C#N)CC2)OC1=O 77423350 KCPHVBLMPREFJL-UHFFFAOYSA-N 369.465 3.421 30 50 FGEA N#Cc1ccc(N2CCN(C(=O)CCc3ccccc3Cl)CC2=O)cc1 82099330 KIQGCHJCVCJXMU-UHFFFAOYSA-N 367.836 3.020 30 50 FGEA C[C@H]1CCCCN1C1CN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 426712150 NVMSJYRMYMRLRC-INIZCTEOSA-N 360.461 3.319 30 50 FGEA COc1ccccc1N1CCN(/N=C(\C)c2ccc(OC(C)=O)cc2)CC1 16712320 KAGXHTHNFNFKJG-CJLVFECKSA-N 367.449 3.167 30 50 FGEA C=C1CC[C@@]23C(=O)O[C@@H]4O[C@H](c5ccoc5)C[C@@]14[C@H]2CCC=C3C(=O)OC 257414404 FFWVQGRKTCTNRG-NHUSPQTBSA-N 370.401 3.456 30 50 FGEA biogenic C=CC[C@@H]1CC=C[C@@H](C)N1Cc1cccc(-c2nc(O)cc(CCN)n2)c1 23232545 PSFCCAIXCPXRQU-OXQOHEQNSA-N 364.493 3.446 30 50 FGEA N#Cc1cccc(CNC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1 877074922 GFLZMAYUWNTCOG-OAHLLOKOSA-N 355.747 3.146 30 50 FGEA CCC/C(NCc1ccccc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100319274 OTNVBYKPVJTERD-WBWKYDSYSA-N 357.450 3.188 30 50 FGEA Cc1cc(C/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)on1 328604494 KFAUYOQWLDWYAU-RBUKOAKNSA-N 366.421 3.462 30 50 FGEA COc1cc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)ccc1O 1465839 AWWUAKOAHQNABZ-KEBDBYFISA-N 369.446 3.242 30 50 FGEA CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 17146164 FNOLERHJNSQBGT-OAHLLOKOSA-N 372.764 3.456 30 50 FGEA C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 245225895 YRCAGXDMMKPGNP-XZLOLGPPSA-N 359.809 3.046 30 50 FGEA CN1C(=O)C[C@@H](CNc2cc(C#N)c3ccccc3n2)[C@@H]1c1ccncc1 886040998 APLKMRPBBSHIAA-KKSFZXQISA-N 357.417 3.133 30 50 FGEA Cc1ccc(S(=O)(=O)N(C)c2oc(-c3cccs3)nc2C#N)cc1 2050025154 WSYAIQYTBVJBIG-UHFFFAOYSA-N 359.432 3.408 30 50 FGEA C=C(C)COc1ccc(C(=O)NCCc2nc(C)c3c(n2)CCC3)cc1 55073486 SIMBQTGWLBLONK-UHFFFAOYSA-N 351.450 3.201 30 50 FGEA CCN1CCC[C@@H](CN(C)c2ncc(C#N)cc2Cl)[C@@H]1c1cnn(C)c1 328623421 JDBGSJQPJJMDFS-MAUKXSAKSA-N 372.904 3.250 30 50 FGEA CCn1nc(C)c(-c2cc(-c3cc(O)ccc3OC)c(C#N)c(N)n2)c1C 71736116 PZLGVANVDVBHAX-UHFFFAOYSA-N 363.421 3.417 30 50 FGEA N#Cc1cccc(N2CCC[C@@]3(CCC(=O)N(CCc4ccccc4)C3)C2)n1 77298081 BXRFTMPCQPVQFG-HSZRJFAPSA-N 374.488 3.405 30 50 FGEA CN1C(=O)COc2ccc(NC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc21 174909250 TZEAWHJSOYWPKO-UHFFFAOYSA-N 364.405 3.487 30 50 FGEA COc1cccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c1O 239030893 CNMJRWCOCFQSPG-UHFFFAOYSA-N 360.826 3.484 30 50 FGEA Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)cc1Cl 1565506983 OYPQTSXTZPQAJD-OALUTQOASA-N 370.836 3.486 30 50 FGEA CC1(C)OB(c2cc(C(=O)Nc3ccccc3)cc([N+](=O)[O-])c2)OC1(C)C 169919441 KSKXAUWSUIJJNE-UHFFFAOYSA-N 368.198 3.146 30 50 FGEA Cc1nc(O)c(C#N)c(C)c1CC/C(O)=N/CCOc1cncc(Cl)c1 328590024 WKQIVINCUWGOQS-UHFFFAOYSA-N 374.828 3.292 30 50 FGEA Cc1nc(N(C)C)sc1CCNc1cc(C(F)(F)F)cc(C#N)n1 1875343546 MQYQAPOFUUAMNC-UHFFFAOYSA-N 355.389 3.458 30 50 FGEA N#Cc1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CCCC2 1010187 WXTQIJQJUMDDNO-HNNXBMFYSA-N 366.446 3.260 30 50 FGEA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 101021144 JPCGWOYOTGHICZ-VDWFFLBBSA-N 350.349 3.227 30 50 FGEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(O)=Nc1nc2ccsc2s1 328999435 GKVJQAUYWWPGHV-KGYLQXTDSA-N 367.496 3.419 30 50 FGEA Cc1ccccc1[C@]1(O)CCN(CCCC(=O)Nc2ccc(C#N)cc2)C1 252483994 FLSNBWDJAUHIAA-QFIPXVFZSA-N 363.461 3.179 30 50 FGEA Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C 295692143 DLTDMPHOUOORMN-RHSMWYFYSA-N 352.438 3.370 30 50 FGEA C#CCCC1(CCNC(=O)c2cc(CC)nc3onc(CCC)c23)N=N1 2325893646 NIAOPNWTLWYYJP-UHFFFAOYSA-N 353.426 3.433 30 50 FGEA O=C1c2ccc([N+](=O)[O-])cc2N[C@H](c2ccco2)N1/N=C/c1ccco1 1067677 PHWOXXWDZBNAIG-HKJBKDEOSA-N 352.306 3.381 30 50 FGEA N#C[C@@H](NC(=O)Cn1cc2ccccc2n1)c1cccc(Br)c1 496372270 OXEAQKOFGVLLHZ-MRXNPFEDSA-N 369.222 3.180 30 50 FGEA N#Cc1c(-c2ccc(CO)o2)cc(-c2cnn(-c3ccccc3)c2)nc1N 71747383 TVSMVMIKRLABCW-UHFFFAOYSA-N 357.373 3.140 30 50 FGEA C=CCNC(=O)N1CCC(Cc2ccc(Cl)cc2)(C(=O)OCC)CC1 11839270 PHUTVTVOOXKUMK-UHFFFAOYSA-N 364.873 3.423 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 19925210 PICCUHFXOBODDU-QGZVFWFLSA-N 370.405 3.372 30 50 FGEA N#CC1(C2CCC2)CCN(c2ccc3nnc(-c4ccccn4)n3n2)CC1 2325799718 RZXKKFOSIQODKK-UHFFFAOYSA-N 359.437 3.097 30 50 FGEA CC1(C)CC(=O)C2=C(C1)NC(=S)[C@@H](C#N)[C@@H]2c1ccccc1[N+](=O)[O-] 102196505 NMJRZKDDYFGDRA-NHYWBVRUSA-N 355.419 3.392 30 50 FGEA Cc1ccc(C/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)cn1 328625194 CXUCQDSHQJXJDT-RDJZCZTQSA-N 362.474 3.267 30 50 FGEA C=CCC1(CC=C)CCCN1Cc1cccc(-c2nc(CN)cc(=O)[nH]2)c1 23192395 RQYPMQGHTMPHQQ-UHFFFAOYSA-N 364.493 3.382 30 50 FGEA Cn1ccnc1[C@@H]1CCN(/C(O)=N/C[C@@]2(C)CCCc3ccccc32)C1 329326065 UABVGGITMZQSOC-DYESRHJHSA-N 352.482 3.418 30 50 FGEA CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1O 804256 NETOHLVPMQJQPO-KRWDZBQOSA-N 354.410 3.041 30 50 FGEA Cc1cnn(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)CC2)c1 2325755325 OYOCVLIQZYBHPV-UHFFFAOYSA-N 372.494 3.019 30 50 FGEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1)c1ccco1 798987 NULHSMLKWOVKHZ-QGZVFWFLSA-N 365.341 3.357 30 50 FGEA O/C(=N/[C@H]1CCN(C2CC2)C1)c1csc(-c2ccc3c(c2)OCO3)n1 328712901 CNEMKQCNAGLKEQ-LBPRGKRZSA-N 357.435 3.080 30 50 FGEA Cn1cc(/C(O)=N/C[C@@H]2CCO[C@H]2c2ccc(F)cc2)c([C@@H]2CCOC2)n1 328895257 BHCQMIHQDGUHGL-KHYOSLBOSA-N 373.428 3.146 30 50 FGEA CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 252327485 FFRJRVSCSJRNDF-WUGIYAPVSA-N 370.836 3.126 30 50 FGEA CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 252327483 FFRJRVSCSJRNDF-MUHAEZCISA-N 370.836 3.126 30 50 FGEA COc1ccc(/C=C/C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)cc1OC 28957538 JJTPMHCDJYDHTB-YCRREMRBSA-N 363.369 3.029 30 50 FGEA C#CCOC(=O)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 3041307 ZBPWNTWSPSHJLH-UHFFFAOYSA-N 351.189 3.385 30 50 FGEA COc1ccc2c(c1)C1(CC1)CN([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 329790448 TWBLNDVISZEXJR-NRFANRHFSA-N 373.456 3.220 30 50 FGEA C=CCN1C[C@H](C)N(C(=O)Nc2cc(C(C)=O)ccc2OCC)C[C@@H]1C 1565530973 OKKDUJQJYVKAIG-GJZGRUSLSA-N 359.470 3.400 30 50 FGEA CC(C)c1noc([C@H](/N=C(/O)[C@@H]2CC23CCOCC3)C2CCOCC2)n1 328609589 FCEVZSLOPGVERK-LSDHHAIUSA-N 363.458 3.434 30 50 FGEA CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1209535 VHRSAVKLYGMZOY-SFHVURJKSA-N 366.373 3.122 30 50 FGEA CC(=O)N(OCc1ccccc1)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O 3789145 RHFUXPCCELGMFC-UXHICEINSA-N 366.417 3.112 30 50 FGEA in-vitro C=CCc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1OC 65363707 FJARRWSNDZNKHH-UHFFFAOYSA-N 365.477 3.428 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)N=N1 2325886137 WKLZLFMFHCDWDX-CJNGLKHVSA-N 368.437 3.329 30 50 FGEA C=CCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 2961090 NTMFTASAZWQQRR-UHFFFAOYSA-N 372.490 3.109 30 50 FGEA Cc1oc(C#N)cc1C(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 284903707 BJIZBUSUSOIDRT-KRWDZBQOSA-N 354.406 3.158 30 50 FGEA COc1cccc([C@H]2CCN(Cc3ccc(C#CCO)cc3)C2)c1OC 952991260 WEIQJNYAUPRDBC-IBGZPJMESA-N 351.446 3.037 30 50 FGEA C=CCn1c(=O)c2c(C)c(C)sc2n2/c(=N/c3ccccc3)[nH]nc12 1262729 JTTLQOYKPSLGDP-UHFFFAOYSA-N 351.435 3.074 30 50 FGEA COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)c(OC)c1 19138267 SEPAQFVQXQVCSK-GOSISDBHSA-N 367.401 3.220 30 50 FGEA O=[N+]([O-])c1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 19771900 AFDSHHOLWQSBQT-DEDYPNTBSA-N 358.829 3.400 30 50 FGEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 19831379 CBIHDZNPQKMWLK-IBGZPJMESA-N 364.445 3.217 30 50 FGEA C#CCCC1(CCC(=O)N2CCc3ncc(C(F)(F)F)cc3C2)N=N1 2325892847 JRRZLZVEPAVBMA-UHFFFAOYSA-N 350.344 3.341 30 50 FGEA CN(C)c1ncccc1C/N=C(/O)[C@H]1C[C@@]12CCOc1ccc(F)cc12 328602367 BKSFXQVNVWAZGQ-OXQOHEQNSA-N 355.413 3.484 30 50 FGEA Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(C#N)c(O)nc3C)C2)c1 72479588 HVNHAWXYJMWXCD-INIZCTEOSA-N 365.433 3.207 30 50 FGEA CCn1ccnc1[C@@H]1CCCCN1/C(O)=N/C[C@H]1CCCN1CC(C)C 330274514 KGDNYRVDZPHBQG-MSOLQXFVSA-N 361.534 3.464 30 50 FGEA C=CCn1c(SCc2noc(C3CCCC3)n2)nnc1C1CCNCC1 426406034 FAAIUMXFOXIVMB-UHFFFAOYSA-N 374.514 3.264 30 50 FGEA Cc1noc(C)c1C/C(O)=N/[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328615143 XUQGVGGXCMOITJ-MRXNPFEDSA-N 362.430 3.465 30 50 FGEA CC1(C)OB(C2CCN(c3ncnc4c3ncn4C3CC3)CC2)OC1(C)C 1875366841 KKURXHVWBRXUEH-UHFFFAOYSA-N 369.278 3.224 30 50 FGEA N#Cc1cc(C#N)c(SCC(=O)c2ccc(Br)cc2)nc1N 18240639 NZUXFBXAQNPSMY-UHFFFAOYSA-N 373.235 3.145 30 50 FGEA C=CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 4802196 VKTLTMMZTQGEEL-DPOBWDHUSA-N 358.463 3.331 30 50 FGEA N#Cc1cccc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)n1 91747001 JAWNCBJRVVTKMU-UHFFFAOYSA-N 374.488 3.405 30 50 FGEA C=CC[C@@H]1CC=C[C@@H](C)N1Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 1506414145 WEQDIZJATGKTIP-UKRRQHHQSA-N 364.873 3.308 30 50 FGEA CCOc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)ccc1O 5008822 GWMYWOVSGRWGSY-KEBDBYFISA-N 362.393 3.365 30 50 FGEA COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)c1 18145790 DEXGMHRASCXQGG-IBGZPJMESA-N 351.402 3.222 30 50 FGEA N#Cc1ccc(C(=O)N2CCC(c3nccc(-c4ccccc4)n3)CC2)[nH]1 952894519 RKDXIGQAWDFVFU-UHFFFAOYSA-N 357.417 3.363 30 50 FGEA N#Cc1cc2c(=O)n(Cc3ccc(-c4ccccn4)s3)ccc2nc1O 67641752 JFFSBXHYHFOHQR-UHFFFAOYSA-N 360.398 3.146 30 50 FGEA CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1cc(Cl)ccc1Br 332020026 VLFPHLQLXQRMGG-LBPRGKRZSA-N 363.664 3.073 30 50 FGEA COc1ccccc1-c1ccnc(C2CCN(c3ccnc(C#N)n3)CC2)n1 952893868 LCYRZUCGOGUOSC-UHFFFAOYSA-N 372.432 3.198 30 50 FGEA Cc1cc(C#N)cnc1N1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3C[C@H]3C[C@@H]2C)C1 1875405542 JHCBPTDFFNKXNU-LSJRZNPGSA-N 352.482 3.029 30 50 FGEA N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 2325785880 RVDIXDKVKBHDOZ-CSMYWGQOSA-N 367.840 3.208 30 50 FGEA CCCCCC(=O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 27641160 LOLJEILMPWPILA-PMKQXIRTSA-N 352.471 3.251 30 50 FGEA in-vitro Cc1cnccc1N1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1 65425147 NBGSYRRUJPQQMT-UHFFFAOYSA-N 363.505 3.225 30 50 FGEA Cc1nc(C)n(C[C@@H]2CCCN(/C(O)=N/[C@@H]3CCCC(F)(F)C3)C2)n1 330223941 NJFSJPBJPZVYMR-HUUCEWRRSA-N 355.433 3.099 30 50 FGEA COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 252327542 RYZNRFOSCDAQJF-DFZPSUDVSA-N 372.424 3.235 30 50 FGEA CC(C)c1noc(CCNC(=O)CC2=C(c3ccccc3)CCC2=O)n1 299801232 XPXHCFKYVIXTEM-UHFFFAOYSA-N 353.422 3.059 30 50 FGEA CCc1nsc(N2CCCN(Cc3ccc(Cl)cc3C#N)CC2)n1 187103813 KPQKAHFNLYNYJQ-UHFFFAOYSA-N 361.902 3.338 30 50 FGEA O=C(O)CN1C2=C(C(=O)CCC2)C(c2ccccc2)C2=C1CCCC2=O 19973645 GFZUUNZDCAAYPA-UHFFFAOYSA-N 351.402 3.185 30 50 FGEA CC(C)(CNC(=O)[C@@]1(C#N)CCCNC1)c1ccc(Cl)c(Cl)c1 2325869103 YUCPZYUAGVPORG-QGZVFWFLSA-N 354.281 3.281 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)N=N1 2325892486 OWBXDUXHTVUJHN-MRXNPFEDSA-N 353.470 3.281 30 50 FGEA C=CCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1 4841057 DTZUNAXMGIXQGH-UHFFFAOYSA-N 352.434 3.222 30 50 FGEA COc1ccc(COc2ccc(I)nc2)cc1C#N 153544145 ITTXDHMEPUOCLS-UHFFFAOYSA-N 366.158 3.145 30 50 FGEA Cc1nc(-c2ccccc2N=C(O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cs1 329104447 DMVUGORJVBXGBL-MSOLQXFVSA-N 372.494 3.069 30 50 FGEA O/C(=N/[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CCOc2cc(O)ccc2C1 329256851 BSHUYFPBOAQCHF-YZGWKJHDSA-N 350.418 3.229 30 50 FGEA CCc1ccc(NC(=O)C[C@H]2CC3=C(CC(C)(C)CC3=O)NC2=O)cc1 334160902 OGSOTNHJFYGOIK-CQSZACIVSA-N 354.450 3.357 30 50 FGEA O=C(O)c1cc(/C=C2\Oc3c(Br)cccc3C2=O)ccc1O 299738277 QMBXMODJNXGITE-QPEQYQDCSA-N 361.147 3.469 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(O)=Nc1ccsc1 328644534 RTUAIKPPCSYFPI-AAEUAGOBSA-N 354.476 3.295 30 50 FGEA N#Cc1c(F)cccc1-n1ccc(=NC(=O)NC[C@@H](F)C2CCCCC2)[nH]1 2325852934 ZDLXMTKZOHITHP-MRXNPFEDSA-N 373.407 3.345 30 50 FGEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2c(c1)ncn2C1CCCC1 170008575 DYZYFPPMRKAINJ-UHFFFAOYSA-N 370.258 3.237 30 50 FGEA C=CCOc1cccc([C@H]2c3nc[nH]c3CCN2Cc2cc(C)no2)c1 72481328 GUFAUYSBIRLPPD-FQEVSTJZSA-N 350.422 3.419 30 50 FGEA CCc1c(C)nn(CCNC(=O)CC2=C(c3ccccc3)CCC2=O)c1C 426634116 FEXNETNCRMREQD-UHFFFAOYSA-N 365.477 3.385 30 50 FGEA CCOc1ccc(N=CC2=S=C3SC(C(C)=O)=C(C)N3C2=O)cc1 367797895 UEIXGUAYUAPVTR-UHFFFAOYSA-N 360.460 3.190 30 50 FGEA C=C(C)[C@@H]1CC=C(CN2CCn3nc(CNc4ncccn4)cc3C2)CC1 299785580 MHXOZWWKMADRAV-GOSISDBHSA-N 364.497 3.403 30 50 FGEA CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 159227674 PEOHBRFPUWFPNG-FQEVSTJZSA-N 374.444 3.362 30 50 FGEA Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 127339794 DLBVXBDAQBQNJH-RTBURBONSA-N 355.388 3.320 30 50 FGEA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(C#N)(C3CCC3)CC2)cc1 1875381011 HEYGSCSIZKIGHA-UHFFFAOYSA-N 351.450 3.381 30 50 FGEA CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 1126720 SPWRRQZCUBJVJH-HXUWFJFHSA-N 366.461 3.373 30 50 FGEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)c(OC)c1 1173869 ASYQMTCCGSMVMU-LJQANCHMSA-N 367.401 3.188 30 50 FGEA biogenic CCCCCC(=O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)C(=O)C[C@H]1O 100013640 YRTJDWROBKPZNV-RSNVZYGJSA-N 350.455 3.459 30 50 FGEA endogenous,in-man N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)[C@H]1CC[C@@H](C2)N1C1CCCC1 71721345 OLCSSIMLKLSHIR-SUMWQHHRSA-N 364.449 3.292 30 50 FGEA CC1(C)OB(c2cnn(CCCCOCc3ccccc3)c2)OC1(C)C 217708396 ARVVHMZCRCPWTM-UHFFFAOYSA-N 356.275 3.179 30 50 FGEA CC1(C)C[C@@H](O)c2cccc(NC[C@@H](O)COc3ccccc3C#N)c2O1 905606844 YFRFXJXEDDHIIU-CRAIPNDOSA-N 368.433 3.005 30 50 FGEA C#CCCC1(CCC(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)N=N1 1875382115 RGMRUPPARSNJHZ-UHFFFAOYSA-N 368.437 3.225 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)N=N1 2325892406 MDAVNFSGMGPVLE-CQSZACIVSA-N 354.410 3.176 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(Cl)c1 636961 CBFGKGWMFYOFEP-KRWDZBQOSA-N 361.825 3.490 30 50 FGEA C=CCN(Cc1ccccc1OC)C(=O)c1c(C)cc(C)n(CC)c1=O 55414936 OUOQSDDMTQOLIP-UHFFFAOYSA-N 354.450 3.322 30 50 FGEA CC(C)CCN1C[C@]2(CCCN(C(=O)c3ccc(C#N)cc3)C2)CCC1=O 77287732 MKJHRTXVITUTQL-QFIPXVFZSA-N 367.493 3.449 30 50 FGEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccc3ccc(F)cc3n2)C1 328613288 RKSSQKMJTNWKBE-SFHVURJKSA-N 355.373 3.147 30 50 FGEA COc1ccc(C#N)cc1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 377592442 OANWCQAXPDFXPF-NRFANRHFSA-N 354.425 3.133 30 50 FGEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 2391529 XDLJWTOUKARVLD-RGVLZGJSSA-N 361.854 3.377 30 50 FGEA C=CCOc1ccc(Cl)cc1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704343729 MVBXQUADQSHWDY-WOJBJXKFSA-N 364.917 3.183 30 50 FGEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2c([nH]c3ccccc23)C1 55344572 IZBLSTUBNKKQIC-MSOLQXFVSA-N 365.477 3.161 30 50 FGEA Cc1ccc2nc(CNC3CCN(c4ncccc4C#N)CC3)[nH]c2c1C 67713354 TXOIGEMTEWKGEO-UHFFFAOYSA-N 360.465 3.205 30 50 FGEA C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)C(=O)NC1CC1 170654721 RXTBUFYBEOEFAV-HZMBPMFUSA-N 373.865 3.356 30 50 FGEA CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 19597260 ARHTUYFNICPVAK-UHFFFAOYSA-N 373.503 3.325 30 50 FGEA C=CCc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)c(OC)c1 2692776 VGWUFXZDHVMWPU-FQEVSTJZSA-N 353.462 3.222 30 50 FGEA N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)cc1 9341415 LBPXUIVZGGYQGY-UHFFFAOYSA-N 351.381 3.188 30 50 FGEA N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@](F)(CO)C3)c2)cc1 376522024 IUEAJGWYQNGVTB-HXUWFJFHSA-N 353.397 3.238 30 50 FGEA C=CCC(CC=C)C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 170604644 CACYYQHGIDRPTR-UHFFFAOYSA-N 374.432 3.364 30 50 FGEA C=CCCC(=O)NC[C@H]1[C@H]2CN(c3cccc(C(C)C)n3)C[C@]23CC[C@H]1O3 1875245452 AMJNKKMAQVRVNZ-ODULNIPZSA-N 369.509 3.271 30 50 FGEA Cc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1Cl 8844128 RQYVCQLAWARIEL-UHFFFAOYSA-N 352.825 3.252 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)N=N1 1875381510 XKWCUBNTHUWTQS-YJBOKZPZSA-N 357.841 3.462 30 50 FGEA Cn1cnc([N+](=O)[O-])c1Sc1nccc(Nc2ccccc2)c1C#N 1225635 AASCZKSIFYMYLZ-UHFFFAOYSA-N 352.379 3.490 30 50 FGEA Sc1nnc(-c2ccccn2)n1/N=C/c1ccccc1Br 9109072 FODKNWNJTLDAEB-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA CCN(CC)C(=O)c1sc(NC(=O)c2cnn(CC)c2C)c(C#N)c1C 2781957 LMQYWRXNCSWQJO-UHFFFAOYSA-N 373.482 3.187 30 50 FGEA Cc1nc(-c2ccccc2N=C(O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cs1 329104448 DMVUGORJVBXGBL-QZTJIDSGSA-N 372.494 3.069 30 50 FGEA N#Cc1ccc(CN2CCC[C@H](CNC(=O)Cc3ccc(F)cc3)C2)cc1 1506414738 TZVQOLAFUYBZMF-HXUWFJFHSA-N 365.452 3.268 30 50 FGEA COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1 15723746 HWOGJGHQFKXKMM-JAIQZWGSSA-N 366.333 3.482 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1 718639 CXJWPEODCRVPOW-UHFFFAOYSA-N 369.425 3.396 30 50 FGEA Cc1ccc(S(=O)(=O)OCCCNc2ccc([N+](=O)[O-])cc2)cc1 4774031 IQIAWKGHULCRQH-UHFFFAOYSA-N 350.396 3.111 30 50 FGEA CC1=C(C(=O)OCCOC(C)C)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 100579231 FWIFERBOORYZAE-IBGZPJMESA-N 370.449 3.018 30 50 FGEA CN(C)C(=O)On1c(-c2ccc(Cl)cc2)nc2ccc([N+](=O)[O-])cc21 1389370 NZTDECXFXQCWRC-UHFFFAOYSA-N 360.757 3.375 30 50 FGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cnc(-c2ccccc2)nc1 71730522 PHVGCRAESKFMSK-UHFFFAOYSA-N 367.416 3.368 30 50 FGEA Cc1cccc(C(=O)N[C@]2(C#N)CC2(C)C)c1I 291405133 IHHVBMZWRDXUIZ-AWEZNQCLSA-N 354.191 3.022 30 50 FGEA Cc1nc(CNC(=O)c2cccc(-c3nc4c(cc3C#N)CCCC4)c2)no1 534589587 SWTYZIZRVKLSFB-UHFFFAOYSA-N 373.416 3.121 30 50 FGEA Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CCCC(F)(F)C1 225731930 BQPZUFMYLLBCAB-ZDUSSCGKSA-N 352.381 3.165 30 50 FGEA CCCO[C@@H]1C[C@@H](C(=O)NC(C)C)CC[C@H]1Nc1nc(C)cc(C)c1C#N 2356158632 SLIPMYPKFWFIBU-QXAKKESOSA-N 372.513 3.471 30 50 FGEA Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3ccccc3)[nH]2)cc1 9244964 OJUUWNQYTPVGLQ-UHFFFAOYSA-N 365.462 3.429 30 50 FGEA CC[C@@H](C)c1ccccc1OCC(=O)N1CCCn2nc(C#N)cc2C1 55281075 CHLFCOYUHTYKOA-OAHLLOKOSA-N 352.438 3.080 30 50 FGEA CC(C)(/N=C(/O)c1cccc(Cl)c1)c1noc([C@@H]2CC[C@@H](CN)O2)n1 328608452 ZBLWQRJMXSDVKE-STQMWFEESA-N 364.833 3.142 30 50 FGEA N#Cc1ccc(-c2nnc(CN3CCC(F)(c4ccccn4)CC3)o2)cc1 295398223 ROPXXPNCYQPTPU-UHFFFAOYSA-N 363.396 3.464 30 50 FGEA CC(C)(C)OC(=O)n1cc(I)c2cc(C#N)cnc21 263623918 LUZNEROPHYZYHJ-UHFFFAOYSA-N 369.162 3.296 30 50 FGEA C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(COC)o3)C2)n1C 15072749 LOBDFUVYJXOZJO-CQSZACIVSA-N 362.499 3.212 30 50 FGEA Cc1cccc(C2(C(=O)N3CCC[C@@H]3CNc3ccc(C#N)nc3)CC2)c1 1875340620 KVSQEQVRJJXSAP-HXUWFJFHSA-N 360.461 3.396 30 50 FGEA COCc1cc(C)nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C#N 1182298 QFQNMSQFRKXWPE-UHFFFAOYSA-N 372.406 3.047 30 50 FGEA COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 100290631 CLWGXFVQBMLUHI-FYJGNVAPSA-N 351.406 3.252 30 50 FGEA CC(=O)N[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cccc(F)c1 170007605 MIPNMVAIOXXGJX-IBGZPJMESA-N 369.245 3.350 30 50 FGEA N#CC1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)CC1 1875274084 GFRFIHFGJPOHJH-SOAGJPPSSA-N 367.493 3.056 30 50 FGEA O=C1Nc2ccccc2/C1=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5280118 JADXQMDKKMLHSI-UHFFFAOYSA-N 350.256 3.382 30 50 FGEA C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328654505 XNBTWEMECSESAC-LKUPVBHCSA-N 351.498 3.368 30 50 FGEA C#CCCC1(CCC(=O)N[C@H]2CCN(Cc3scnc3C)C[C@H]2C)N=N1 2325900040 ITSRWJBOEFYIPV-ZBFHGGJFSA-N 373.526 3.134 30 50 FGEA N#CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 4852632 JLDKCAXZLFJDCP-CQSZACIVSA-N 353.809 3.398 30 50 FGEA C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccncc1 6743323 IATPTHZOVPNHEC-NSHDSACASA-N 372.479 3.102 30 50 FGEA CC1(C)OB(c2cc(Br)nc(C(F)(F)F)c2)OC1(C)C 169936482 LNGBHHFGMHWDAD-UHFFFAOYSA-N 351.959 3.162 30 50 FGEA in-vitro OCC#Cc1csc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c1 1857677034 POEXJFCDHJGGLA-NNWRFLSQSA-N 367.514 3.050 30 50 FGEA C=CCc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)c(OC)c1 2686988 VGWUFXZDHVMWPU-HXUWFJFHSA-N 353.462 3.222 30 50 FGEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1cccc2cnccc12 55568876 MPBJBKNFDCKICY-UXHICEINSA-N 365.477 3.302 30 50 FGEA COc1cccc(-c2cc(-c3ccccc3OCCO)c(C#N)c(N)n2)c1 67947428 ABNRAUICYGZGLO-UHFFFAOYSA-N 361.401 3.249 30 50 FGEA CN(Cc1ccccc1)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 170004624 STSNWHBNABRBIH-UHFFFAOYSA-N 351.255 3.258 30 50 FGEA COc1cc(C#N)c(NC(=S)Nc2ccc3c(c2)OCO3)cc1OC 1399394 HBFDFJJSGJHQPP-UHFFFAOYSA-N 357.391 3.113 30 50 FGEA Sc1nncn1/N=C/c1cc(Br)c(Br)s1 2788740 BOBTYBYWMMRXBX-BIIKFXOESA-N 368.079 3.036 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(=O)n(Cc3cccc(F)c3)c2)N=N1 2325886339 NWKZNIQDULDFHM-UHFFFAOYSA-N 366.396 3.330 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 626383 ZBMAAOXTLQOCEB-HNNXBMFYSA-N 359.397 3.316 30 50 FGEA CCOc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccccc1C 2965964 CNUZRFNBCDWTJH-YDZHTSKRSA-N 366.421 3.325 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 4719745 WMVWLIJNQNLDKI-LJQANCHMSA-N 371.433 3.235 30 50 FGEA CCOc1cc(C#N)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OCC 1076814 MPCFAAPLFQXBNZ-UHFFFAOYSA-N 369.377 3.445 30 50 FGEA Cc1oc(C#N)cc1C(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 284903712 BJIZBUSUSOIDRT-QGZVFWFLSA-N 354.406 3.158 30 50 FGEA CC(C)C[C@@H](NC(=O)c1cccc(-c2cccnc2C#N)c1)c1ncnn1C 299773706 FEXXVFGBYUREOJ-GOSISDBHSA-N 374.448 3.266 30 50 FGEA C=CCc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 91595735 SXNQEPZWQFXYOS-QFIPXVFZSA-N 352.478 3.422 30 50 FGEA N#Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)c(F)c1 97743511 NLCWPVCBAFXTAG-HNNXBMFYSA-N 356.401 3.324 30 50 FGEA COc1ccc(CNC[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc1C#N 328654383 XIVQWCYVAFYUAY-CYBMUJFWSA-N 364.371 3.134 30 50 FGEA C=C(CN1CCC[C@H]1c1ccccc1Cl)C(=O)N[C@H](C)c1nncn1C 2325826033 MLYJBBKCCUXHJH-PBHICJAKSA-N 373.888 3.039 30 50 FGEA CCN1CCC[C@@H](CN(C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 328640208 PVTUAWFTGLFMKK-HNAYVOBHSA-N 357.527 3.258 30 50 FGEA N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)s1 329765324 WWBHFXVTTSNAOV-QWHCGFSZSA-N 358.423 3.222 30 50 FGEA COCc1cc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)ccc1OC 71748085 XXJHTZDATXRNNE-UHFFFAOYSA-N 363.421 3.066 30 50 FGEA COc1ccc2c(c1)CC/C2=N/OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 33409466 QYCLSAFOIUCWJQ-CYVLTUHYSA-N 356.334 3.119 30 50 FGEA Cc1c(C(=O)N(C)Cc2csc(-c3ccccc3)n2)cnc(O)c1C#N 72409555 IZASLCKYTAFMLL-UHFFFAOYSA-N 364.430 3.363 30 50 FGEA COc1ccc(/C=C/C(=O)c2ccccc2O)cc1CN1CCOCC1 19922998 FGCVVMXCLXQQCS-SOFGYWHQSA-N 353.418 3.129 30 50 FGEA CN(c1oc(-c2cccs2)nc1C#N)S(=O)(=O)c1cccs1 2050025052 QIKLKXNLDUVJAY-UHFFFAOYSA-N 351.434 3.161 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1 2375467 JGEMYTLINIWGNP-UHFFFAOYSA-N 370.434 3.464 30 50 FGEA CC1(C)OB(c2cc(OCC3CC3)c([N+](=O)[O-])cc2Cl)OC1(C)C 170003717 QPCRBKNYLSRSGL-UHFFFAOYSA-N 353.611 3.336 30 50 FGEA CN1CCOc2cc(N=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)ccc21 328589905 NQCJLNDJQVNODU-MRXNPFEDSA-N 365.433 3.152 30 50 FGEA CCn1cc(-c2cc(-c3cnn(-c4ccc(F)cc4)c3)nc(N)c2C#N)cn1 71747339 UHEVEKPRSZRQKT-UHFFFAOYSA-N 373.395 3.411 30 50 FGEA O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4488915 FRCMUJUWUASRDP-OLZOCXBDSA-N 367.426 3.481 30 50 FGEA N#Cc1c(O)nc(-c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1C(F)(F)F 8648827 OJRLTEJFYMZKQB-UHFFFAOYSA-N 354.200 3.161 30 50 FGEA CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccc(-n3cccn3)cc1)C2 67489883 ZSHKCNNKCKHNIN-MAUKXSAKSA-N 356.433 3.080 30 50 FGEA C[C@@H](Sc1nc(=O)n2ncc(C#N)c2[nH]1)c1ccc(Cl)c(Cl)c1 2325863505 LTYPGWVOZSNCQM-SSDOTTSWSA-N 366.233 3.449 30 50 FGEA O=C1C=C(c2cccs2)C[C@@H](c2ccccc2)[C@H]1n1nnc([N+](=O)[O-])n1 1079208 RRNWTPYCEVWZSQ-XJKSGUPXSA-N 367.390 3.024 30 50 FGEA CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 5978047 QPXXPLNAYDQELM-QNXXGYPUSA-N 354.487 3.475 30 50 FGEA in-man CCCc1nc(C)c(CNC(=O)c2cccc(C#CC(C)(C)O)c2)s1 222866197 TWLIQWBNKSFGDX-UHFFFAOYSA-N 356.491 3.456 30 50 FGEA COc1ccccc1N1CCN(/N=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 1193020 INNCXYPHCWEPIH-HKWRFOASSA-N 354.410 3.150 30 50 FGEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(OC)c2)c1 1478930 QWDPRUWTNUXPDN-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA C#Cc1cnc(NCC2(c3cccc(Br)c3)CCOCC2)nc1 827424678 FNOAHTCWIIRFDW-UHFFFAOYSA-N 372.266 3.381 30 50 FGEA C#CCN(Cc1ccccc1)C(=O)CCc1nc(-c2ccccc2F)no1 65526556 PRHLKXYSWOJWIC-UHFFFAOYSA-N 363.392 3.470 30 50 FGEA C/C(=N\N=C1\N=C(O)[C@H](CC(=O)NCc2ccccc2)S1)c1ccco1 5101421 RVIVQWRRTCFKMA-NGZBARDMSA-N 370.434 3.138 30 50 FGEA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CC1=C(c2ccccc2)CCC1=O 1857672530 GFCAUJKYQJODSV-VQPPSCEASA-N 367.445 3.438 30 50 FGEA Cc1ncc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1 1875335311 BCVYUPBDYLBBCN-JTQLQIEISA-N 354.391 3.062 30 50 FGEA C#CCCC1(CCC(=O)Nc2cnc3n2C[C@@H](C(F)(F)F)CC3)N=N1 2325900200 ORGPYOJTDNYRMW-NSHDSACASA-N 353.348 3.302 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 628834 KZTTVJBAIMBZLD-GOSISDBHSA-N 369.417 3.192 30 50 FGEA Cc1ccccc1C1(/C(O)=N/C[C@H]2CCn3ncc(C(=N)O)c3C2)CC1 328607487 WCHVHSAMBFMYBW-AWEZNQCLSA-N 352.438 3.326 30 50 FGEA CN1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2Cl)CC1 4412845 GYWDOVOZYWBYQE-UHFFFAOYSA-N 372.831 3.355 30 50 FGEA OCC[C@@H]1CN(CC#Cc2ccccc2)CCN1CCCc1ccccc1 22920352 IPBZKTUGKPRFPV-XMMPIXPASA-N 362.517 3.040 30 50 FGEA COc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1O 244873314 WNZKBKQWHZIYEZ-UHFFFAOYSA-N 359.857 3.206 30 50 FGEA N#CCCn1cc(C(=O)Nc2nccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 5050425 VRBKZPLKHHPJMQ-UHFFFAOYSA-N 368.378 3.081 30 50 FGEA C=C(C)CNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 20911220 HWIHDKZKOJZRNW-UHFFFAOYSA-N 352.438 3.148 30 50 FGEA CCN1CCc2nc(N)c(C#N)c(-c3cc(F)c(OC)c(Cl)c3)c2C1 72152810 BIKNSRUYIKRQPX-UHFFFAOYSA-N 360.820 3.382 30 50 FGEA CCc1cc(C#N)ccc1NC(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 95524987 GVVNDDHUVAFFBD-MRXNPFEDSA-N 368.481 3.375 30 50 FGEA CCc1ccc2[nH]c3nc(N/N=C/c4cccc(OC)c4O)nnc3c2c1 5029054 WQCDNWXQSAJOAS-KEBDBYFISA-N 362.393 3.229 30 50 FGEA Cc1cnn(-c2cc(N/N=C/c3ccc(Br)cc3)ncn2)c1 4452463 OKYIGDCKUCHYDG-UFWORHAWSA-N 357.215 3.179 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1 17138178 NVTYVBACVOJZQO-KRWDZBQOSA-N 370.474 3.196 30 50 FGEA O=C(Cn1c(=O)sc2ccccc21)ONc1nc2ccccc2s1 6536756 RQLMFKZNBZRWBZ-UHFFFAOYSA-N 357.416 3.243 30 50 FGEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccnc3cc(F)ccc23)C1 328614006 UWDJTSHZILQVPI-SFHVURJKSA-N 355.373 3.147 30 50 FGEA C=CCN1CCN(C(=O)C2(Nc3ccc(OC)cc3)CCCCC2)CC1 1506401438 REOQFYIOQMQBCF-UHFFFAOYSA-N 357.498 3.140 30 50 FGEA CC[C@]12COC(=O)N1CCN(Cc1ccc(-c3ccccc3C#N)o1)C2 1857666552 OFICOZWEDHQSSU-FQEVSTJZSA-N 351.406 3.235 30 50 FGEA Cc1nsc(NC[C@]2(F)C[C@H](NC(=O)[C@H]3CCC[C@@H]3C)C2)c1C#N 1875408367 ULMAHMXIUZHIEE-PYERRIOISA-N 350.463 3.158 30 50 FGEA CN(CCc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)nn1C 2325822731 LHSMJZMDXUIEKE-UHFFFAOYSA-N 362.408 3.413 30 50 FGEA N#Cc1cc(=NC(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)[nH][nH]1 2325839505 VRZKNNJQXNUATJ-UHFFFAOYSA-N 355.401 3.423 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc3c(c2)[C@H](CC(=O)O)CCC3)N=N1 2325900789 JFIDAPRBKPXIOR-HNNXBMFYSA-N 353.422 3.277 30 50 FGEA C=CCN1CCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F 67947545 BLPBTBAJNDECCX-KRWDZBQOSA-N 355.413 3.280 30 50 FGEA OC[C@H](/N=C/c1cccc(/C=N/[C@@H](CO)c2ccccc2)n1)c1ccccc1 25560393 KXSYVHPYWSHHIZ-LHPWFKOGSA-N 373.456 3.387 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)/C(O)=N/[C@@H]1C=CCCC1 328634710 MYEZGKPNOIXZPM-ZNMIVQPWSA-N 352.479 3.010 30 50 FGEA COc1cccc([C@@H]2CN(c3ccc(C#N)cn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72129108 GPKYHYGITRZBCD-KSEOMHKRSA-N 360.461 3.028 30 50 FGEA C=CCN1C[C@H]2C[C@@]3(COc4cc(Cl)ccc4Cl)C=C[C@@]2(O3)C1=O 825558108 VVHPPOBESHMKJV-PJSAGSTRSA-N 366.244 3.484 30 50 FGEA C[C@H](C(N)=O)n1cnc(-c2ccccc2)c1-c1ccc(C#CC(C)(C)O)cc1 65406169 LCWSKOHLOMCMFY-MRXNPFEDSA-N 373.456 3.386 30 50 FGEA Cc1cc(S(=O)(=O)N2C[C@@H](C)CN(C)c3ccccc32)ccc1C#N 408436254 APCTXELKCZXZTB-AWEZNQCLSA-N 355.463 3.148 30 50 FGEA CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OCC 2979374 PSDGNBDTIRYSKF-CPNJWEJPSA-N 362.451 3.105 30 50 FGEA N#CC1(c2ccccc2)CCN(c2ncccc2C(=O)N2CCCC2)CC1 1529160216 ZHGAQGYXCRVTFQ-UHFFFAOYSA-N 360.461 3.379 30 50 FGEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 2872117 FWQCLAIJFUCLPZ-QHCPKHFHSA-N 372.424 3.471 30 50 FGEA aggregator C=CCN(CC=C)C(=O)C(=O)c1ccn(-c2c(C)csc2C(=O)OC)c1 4108786 BVTXIXAJHQQVJT-UHFFFAOYSA-N 372.446 3.017 30 50 FGEA C=CCc1cc(CN2CCCN(C(=O)c3ccoc3)CC2)ccc1OC 1775983897 VCOSPDCXJJRBQP-UHFFFAOYSA-N 354.450 3.365 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 19138692 LUDAHOMSVXVMRU-MRXNPFEDSA-N 352.346 3.111 30 50 FGEA N#CC1CN(C(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)C1 1857735217 NFLVYDLSLXDMKR-LBPRGKRZSA-N 358.829 3.070 30 50 FGEA Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2F)no1 6412951 PKUQHXOYVUMVIV-INIZCTEOSA-N 368.320 3.498 30 50 FGEA CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccnn1-c1ccccc1)C2 67473481 AFXHRMQJOFACOM-WMLDXEAASA-N 356.433 3.080 30 50 FGEA C=CCN1C[C@@H](C)N(Cc2cc3n(n2)CCCN(C2CCCC2)C3)C[C@H]1C 72169195 LRTKJXWBOWJRLB-RTBURBONSA-N 371.573 3.112 30 50 FGEA CC(C)(C)OC(=O)N1CCC(Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 95495789 CLTAELQMMXJIQF-UHFFFAOYSA-N 364.377 3.417 30 50 FGEA N#Cc1cccc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95390619 JXVNFJRUJKOBGC-CQSZACIVSA-N 350.451 3.039 30 50 FGEA Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)o1 19216323 FOGUQZQLBQZDJE-INIZCTEOSA-N 374.462 3.180 30 50 FGEA COC(=O)c1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1 5432713 VVQYHKUGBRTSGK-VXLYETTFSA-N 356.382 3.416 30 50 FGEA CC(C)(C)NS(=O)(=O)c1cc(NCc2ccc(C#N)cc2)ccc1F 328593505 CMBLMFJIRNGOPH-UHFFFAOYSA-N 361.442 3.386 30 50 FGEA C=CCN(Cc1ccc(SC)cc1)C(=O)[C@@H](C)Cn1nc(C)nc1C 55413391 GZQUYRWVHQLAJJ-AWEZNQCLSA-N 358.511 3.468 30 50 FGEA CC[C@@H]1CN(C(=O)c2ccccc2C#N)CCC(=O)N1Cc1ccccc1 71614202 WQHWRMIWHZMZRK-LJQANCHMSA-N 361.445 3.212 30 50 FGEA CC1(C)C[C@@]2(C[C@@H]2/C(O)=N/C2CCS(=O)(=O)CC2)c2ccccc2O1 328603177 FIJJPTFQRQBGJU-BEFAXECRSA-N 363.479 3.039 30 50 FGEA C=CCn1c(CN(C)Cc2ccccc2O)nnc1SC[C@H]1CCCO1 14998458 IJGTVLACDSRKHS-MRXNPFEDSA-N 374.510 3.073 30 50 FGEA C#CCN(Cc1cnc(S(=O)(=O)CC)n1CCCC)C1CCCCC1 20211857 AEVDHKPYRYITIF-UHFFFAOYSA-N 365.543 3.245 30 50 FGEA Cc1cccnc1C[C@@H](C)N(C)C(=O)c1ccc(C#CC(C)(C)O)cc1 218624215 BCZGTGGXVKIQDY-QGZVFWFLSA-N 350.462 3.216 30 50 FGEA N#Cc1cccc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)c1 95518413 NTUUVSVXEQEBGM-UHFFFAOYSA-N 371.444 3.218 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc(C(=O)O)cc2C(F)(F)F)N=N1 2325900604 BOGLQAKPAGWVSA-UHFFFAOYSA-N 353.300 3.099 30 50 FGEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl 632600 HMMRCLFTVFPXLF-AWEZNQCLSA-N 361.825 3.440 30 50 FGEA FC(F)c1nnc(S)n1/N=C/c1c[nH]nc1-c1ccc(Cl)cc1 6414029 ZGLIVANSTKPHQK-NGYBGAFCSA-N 354.773 3.430 30 50 FGEA O=S1(=O)C[C@H](/N=C(/O)[C@H]2CCCN2c2ccccc2)c2ccccc21 330158490 ZUADHAAJIGNGLE-DLBZAZTESA-N 356.447 3.141 30 50 FGEA COc1cnc2c(c1)c(B1OC(C)(C)C(C)(C)O1)cn2C(=O)OC(C)(C)C 199593750 KDFRNDMNSGUCJY-UHFFFAOYSA-N 374.246 3.127 30 50 FGEA C=C(Cl)Cn1c(=O)c(CN(C)Cc2cnn(C)c2)cc2ccc(F)cc21 299791265 CFAYBEHCJWYFKA-UHFFFAOYSA-N 374.847 3.259 30 50 FGEA COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(C)cc2)S1 12843747 CBPAREIDRDCLGD-XNHPLOEXSA-N 353.447 3.168 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(C(=O)C3C4CC5CC(C4)CC3C5)C2)nc1 329255312 CPPAUCMSFLTKEC-ORPJZTTNSA-N 351.450 3.005 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)N=N1 1875381821 IQMZOGRWKTYUOI-IBGZPJMESA-N 353.422 3.381 30 50 FGEA C#CCCC1(CCNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)N=N1 2325887272 AFGFMFABWBDOLI-UHFFFAOYSA-N 372.379 3.240 30 50 FGEA CC(=O)N[C@@H](c1ccc(F)cc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170007602 MJGSFHFRDOTMEO-LJQANCHMSA-N 369.245 3.350 30 50 FGEA CN(Cc1cn[nH]c1-c1ccccc1)/C(O)=N/c1nc(-c2ccco2)n[nH]1 48428276 XTRBLIIWZYGQMQ-UHFFFAOYSA-N 363.381 3.132 30 50 FGEA C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)cc1 6268867 SNIWMIDFDJUNLH-UHFFFAOYSA-N 362.476 3.125 30 50 FGEA Cc1cccc2c1OC[C@@H](/N=C(/O)N1CCc3c(nc(C(C)C)n3C)C1)C2 329758286 ZXGICDBMJTYWJK-INIZCTEOSA-N 368.481 3.128 30 50 FGEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1c(F)cccc1Cl)C2 67757556 LEDXFPHRVGLKID-LLVKDONJSA-N 363.820 3.207 30 50 FGEA Cc1ccncc1N=C(O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 328636521 VNGICGGDBQRWPF-HNNXBMFYSA-N 359.430 3.199 30 50 FGEA CCN1CCC[C@@H](CN(C)Cc2cccc(C#N)c2)[C@@H]1c1cnn(C)c1 328622004 AWAWPIUSTWOCJD-PZJWPPBQSA-N 351.498 3.197 30 50 FGEA C=CCN1C[C@@H](C(=O)NCc2ccc3[nH]c(CC)c(C)c3c2)CCC1=O 71735647 LTNUKMSUPCASJH-INIZCTEOSA-N 353.466 3.080 30 50 FGEA C#CCCC1(CCC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)N=N1 952882151 SBMLEXNCCFUIIP-UHFFFAOYSA-N 366.465 3.025 30 50 FGEA Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)c2ccc(Cl)cc2)n1 9305561 QUBBMHYQUYOCMQ-UHFFFAOYSA-N 366.812 3.365 30 50 FGEA C[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@H](c2ccc(F)cc2)O1 246627867 HPMAQRBRLUNPCM-GPMSIDNRSA-N 373.472 3.319 30 50 FGEA Cc1cccc2c(CC(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c[nH]c12 328588169 YLHOVLSWBRAOCJ-RXVVDRJESA-N 351.450 3.473 30 50 FGEA C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(Cc3ccccc3C)CC2)C1=O 12000909 HBPNSGIDJGMJMB-QFIPXVFZSA-N 369.509 3.484 30 50 FGEA C=CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 14951331 MRFKUILDSXFLIN-UHFFFAOYSA-N 371.444 3.221 30 50 FGEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(C(C)C)C(C)C 1857778043 UCCMSCZQQVGKQG-UHFFFAOYSA-N 361.291 3.253 30 50 FGEA N#C[C@]1(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CCc2ccccc2C1 248768625 VJAUDXNKACHWSL-YYDVJCTNSA-N 374.440 3.129 30 50 FGEA CCCCCCCCc1cccc(NC(=O)[C@H](N)CCP(=O)(O)O)c1 36178540 FMLHSOGKNHADEE-QGZVFWFLSA-N 370.430 3.423 30 50 FGEA in-vitro COc1cncc([C@@H](Nc2nc(C(C)C)ccc2C#N)[C@H]2C[C@@H](O)C2)c1 219360649 JSMZADDYTGHYMI-QOKNQOGYSA-N 352.438 3.404 30 50 FGEA C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NCCC)nc2c1=O 72420957 FYHQOAXCKISXSV-UHFFFAOYSA-N 370.840 3.142 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 91943057 ZCEKPICDYQHRBY-RBUKOAKNSA-N 352.478 3.207 30 50 FGEA Cc1ccsc1[C@@H](CNC(=O)c1ccc(C#CC(C)(C)O)cc1)N(C)C 952979919 BETGZDRLGDEMJB-GOSISDBHSA-N 370.518 3.212 30 50 FGEA N#Cc1ccc(NCC2(c3cccc(Br)c3)CCOCC2)nn1 302001504 QLCLHMVCAGRWNH-UHFFFAOYSA-N 373.254 3.271 30 50 FGEA C=CCOc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 12654849 UGPMBNFRUICYAC-UHFFFAOYSA-N 365.389 3.240 30 50 FGEA Cn1ccnc1CN1CCC(/C(O)=N/C2(c3ccc(F)cc3)CC2)CC1 329078871 BSAFYMFEHWBQSQ-UHFFFAOYSA-N 356.445 3.417 30 50 FGEA COc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c(OC)c1 4744779 KCJKNHGHDJWYMY-OAHLLOKOSA-N 364.353 3.068 30 50 FGEA CC[C@@H](CNC(=O)c1cccc(-c2cccc(C#N)c2)c1)N1CCOCC1 426537842 ZLGMYTJDJPMZSE-NRFANRHFSA-N 363.461 3.066 30 50 FGEA COc1c2c(cc3c1[C@@H](CC(=NO)c1ccccc1)N(C)CC3)OCO2 252693581 FBWKJYJCSSZORR-MRXNPFEDSA-N 354.406 3.222 30 50 FGEA biogenic O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1)c1ccccc1 6813795 VCDVNHZCBGTZQK-LJQANCHMSA-N 371.396 3.255 30 50 FGEA COc1ccc(C[C@H]2S/C(=N/N=C(\C)c3ccc(F)cc3)NC2=O)cc1 4712955 KNELWGWSWBISBH-ORWNMUSCSA-N 371.437 3.389 30 50 FGEA N#Cc1ccc(Cl)cc1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818146133 UTVOOELQSXMMOI-SFHVURJKSA-N 358.829 3.046 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H]2CCc3nc(-c4ccccc4)cn3C2)N=N1 1875369099 ZFQONQLXHBWZQJ-QGZVFWFLSA-N 361.449 3.337 30 50 FGEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1Br 100182471 WBSFXZTVKOZXJL-MLMLXSDGSA-N 373.250 3.289 30 50 FGEA C=CCN1CCCn2nc(CN3CC[C@H](c4ccccc4F)C3)cc2C1 72169425 PVABDOBWWJPOAK-KRWDZBQOSA-N 354.473 3.403 30 50 FGEA CCC[C@H](C)N1CC2(CCN(C(=O)c3ccccc3C#N)CC2)OC1=O 77379413 TZJHKISTODVOSM-HNNXBMFYSA-N 355.438 3.174 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)NCCCn2ccc3ccccc32)o1 828166464 LFKOSWSTLJZQQO-UHFFFAOYSA-N 350.418 3.177 30 50 FGEA C#CCCC1(CCC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)N=N1 952881528 PNEMYFRPYMBDAG-INIZCTEOSA-N 372.856 3.259 30 50 FGEA CCCC(=O)Nc1cccc(C(=O)N2CCc3c(cnc(C)c3C#N)C2)c1 55107925 NJXHGZZNXIBLAJ-UHFFFAOYSA-N 362.433 3.199 30 50 FGEA Cc1nnc(C)n1/N=C/c1cc(Br)c(Br)s1 2788749 ZMMZTBPRMXYWQU-UUILKARUSA-N 364.066 3.364 30 50 FGEA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cc(C#N)ccc2F)n1C 328654961 XWPVTBJJUSFONX-GOSISDBHSA-N 354.429 3.123 30 50 FGEA N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)c1 331136821 CZWFUSYLDQPNMF-LSDHHAIUSA-N 360.401 3.346 30 50 FGEA Cc1cc(C#N)ccc1COC(=O)c1sc(-c2cnn(C)c2)nc1C 131429282 IOCCHPLQWFNZGQ-UHFFFAOYSA-N 352.419 3.389 30 50 FGEA N#Cc1cc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)ccc1F 173850975 PZBFSLBYBYYFJP-UHFFFAOYSA-N 371.437 3.123 30 50 FGEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cc(Cl)ccc2OCC(=O)O)C1 91625902 FOSQMQCPFTWZDO-GOSISDBHSA-N 367.829 3.046 30 50 FGEA CN1CC2(CCN(c3ccc(C#N)cn3)CC2)C[C@H](c2ccccc2)C1=O 96150126 PTGDRTGFZWLOEZ-LJQANCHMSA-N 360.461 3.186 30 50 FGEA C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2[C@H](C(=O)OCC)[C@H]3C=C[C@]21O3 248341890 ZXQWXPZHCBDOMJ-QRXRQMIZSA-N 373.836 3.134 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Br)cc1 842104 DGOFIZBKXNJWSR-HNNXBMFYSA-N 373.206 3.333 30 50 FGEA N#Cc1c(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccn12 302190354 QSOMFMJAAYCTDP-ZDUSSCGKSA-N 373.338 3.277 30 50 FGEA Cn1nccc1N1CCC[C@@H](/N=C(/O)COc2ccc3c(c2)CCCC3)C1 329948979 LDCZYYZJSUWQHX-GOSISDBHSA-N 368.481 3.303 30 50 FGEA CCn1nccc1[C@@H]1OCC[C@H]1C/N=C(/O)[C@H]1COc2ccccc2C1 329950863 MBIJDNKDHSPIFL-FRQCXROJSA-N 355.438 3.188 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CC2 1272317761 ZCEKPICDYQHRBY-MOPGFXCFSA-N 352.478 3.207 30 50 FGEA O=S1(=O)CCC2(CC1)C[C@@H]2/C(O)=N/[C@H]1CCOC2(CCCCC2)C1 328884256 NTCMETQFSBRCEU-LSDHHAIUSA-N 355.500 3.040 30 50 FGEA Cc1noc([C@@H]2CCN(/C(O)=N/[C@@H]3CCCOc4c(F)cccc43)C2)n1 329048769 KELMWMIDPWGHCS-IUODEOHRSA-N 360.389 3.134 30 50 FGEA Cc1noc(C)c1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 218462894 UIWYKBBZNSVXPJ-UHFFFAOYSA-N 366.446 3.127 30 50 FGEA N#Cc1ccc(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)nc1 72165252 JJIQGBLRGSKYPJ-AWEZNQCLSA-N 360.339 3.185 30 50 FGEA O=C1/C(=C/c2cccs2)S/C(=N\n2cnnc2)N1c1ccccc1 12960279 BONRPASABPKPIG-MXOJYHIHSA-N 353.432 3.280 30 50 FGEA N#CC1CCN(C(=O)c2ccc(-c3ccc(Cl)c(C(N)=O)c3)cc2)CC1 534593098 INSLDYAFAVHJSQ-UHFFFAOYSA-N 367.836 3.482 30 50 FGEA C=CCNC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 12319964 BMDNLWFXFKLIKP-KRWDZBQOSA-N 366.421 3.172 30 50 FGEA C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1 2340994 FVSCJPQFXOXDQG-XMHGGMMESA-N 364.401 3.145 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 6786376 KPVDLQVBJFDOIF-HNNXBMFYSA-N 361.781 3.158 30 50 FGEA CN(C)[C@@H](CNC(=O)CC1=C(c2ccccc2)CCC1=O)c1ccco1 952989547 WAIJBMUGOMFGMA-SFHVURJKSA-N 352.434 3.205 30 50 FGEA Cc1ccc(S(=O)(=O)/N=C(\CN2CCCCC2)N2CCCCC2)cc1 16739867 BALNBMREHYOJMR-FMQUCBEESA-N 363.527 3.054 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 19138685 LUDAHOMSVXVMRU-INIZCTEOSA-N 352.346 3.111 30 50 FGEA CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 225532489 OQRMONIQSUOVPF-GOSISDBHSA-N 371.481 3.079 30 50 FGEA N#Cc1cccnc1N1CCC(CCOc2ccccc2)(C(=O)O)CC1 71762442 BWYXUKVGKPQLIQ-UHFFFAOYSA-N 351.406 3.094 30 50 FGEA N#Cc1c(N)nc2c(c1-c1ccc(C(=O)O)cc1)CN(Cc1ccco1)CC2 72144879 BWIKZDRBOXNNNZ-UHFFFAOYSA-N 374.400 3.052 30 50 FGEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 91643457 ZBRAUMLPDBMSQF-NRFANRHFSA-N 356.466 3.166 30 50 FGEA N#CCCN(C[C@H]1CCOC1)c1nc(-c2cccnc2)nc2ccccc12 1875253073 NBAFEUHCTYZVJG-MRXNPFEDSA-N 359.433 3.448 30 50 FGEA Cc1[nH]c2ccc(C#N)cc2c1CCNc1cc([C@H]2CCCNC2)ncn1 67758920 ONANWBHLKXBTFS-INIZCTEOSA-N 360.465 3.260 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@H]1CCOC2(CCOCC2)C1 77437022 PTFRTZQBLXCOPX-KRWDZBQOSA-N 369.461 3.038 30 50 FGEA C#CCOc1ccc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1 218087579 FSXGMHSTUQXTNB-HNNXBMFYSA-N 368.385 3.165 30 50 FGEA biogenic CC[C@H](NC(=O)c1cccc(-c2ccc(C#N)c(Cl)c2)c1)C(=O)N(C)C 426674404 WIAMHGNMKQPQAP-SFHVURJKSA-N 369.852 3.475 30 50 FGEA COc1ccc(NC(=O)NC2CCN(C3CCSCC3)CC2)cc1C#N 95503308 YQXZXCYWCLFOPZ-UHFFFAOYSA-N 374.510 3.048 30 50 FGEA C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC=O)c1ccnc2ccc(OC)cc12 252623043 OITUCHBJLHBKMP-CALQCPNCSA-N 352.434 3.354 30 50 FGEA C=CCc1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 5049795 CCSKLQHZRWPIMR-UHFFFAOYSA-N 351.402 3.489 30 50 FGEA Cn1cc(C(O)=Nc2ccc(N3CCOCC3)cn2)c(C2CCCCC2)n1 328709577 BJRVUCIFKIUPEW-UHFFFAOYSA-N 369.469 3.336 30 50 FGEA N#Cc1ccc(C(F)(F)F)cc1N1CC[C@H](C2CC2)[C@H]1c1nc(O)n[nH]1 1875399767 ITEVBECEWSMKPA-OCCSQVGLSA-N 363.343 3.378 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O 784855 PLQRLQODKDWBBK-UHFFFAOYSA-N 369.421 3.452 30 50 FGEA CNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 2970525 DBEGIONNNTVFBL-KEBDBYFISA-N 363.870 3.355 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 100436283 WPELEJXRUFCJNZ-LJQANCHMSA-N 354.450 3.284 30 50 FGEA Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C#N)cc2)sc1C(=O)O 192769161 ZONPPBXNWWKDHV-UHFFFAOYSA-N 364.448 3.357 30 50 FGEA C#CCCC1(CCC(=O)N2CCOC3(C2)C2CC4CC(C2)CC3C4)N=N1 1875382100 QYQDNXMJOXQUBQ-UHFFFAOYSA-N 355.482 3.396 30 50 FGEA COC(=O)C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(Br)cc1 225588549 BMZAVLCQMWTICJ-CYBMUJFWSA-N 367.243 3.109 30 50 FGEA Cc1c(C(=O)N(C)C)sc(NC(=O)[C@]2(C)CC2(Cl)Cl)c1C#N 2091096 ZTEKCWJDEDMARL-ZDUSSCGKSA-N 360.266 3.152 30 50 FGEA O=C1C[C@H](C/N=C(/O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CN1C1CC1 329267980 DLICFVZYBKANJA-KDOFPFPSSA-N 371.456 3.276 30 50 FGEA CN(Cc1ccc2nsnc2c1)C(=O)c1cccc(C#CC(C)(C)O)c1 1506396611 VQGYXOHFRRIPIM-UHFFFAOYSA-N 365.458 3.086 30 50 FGEA CC#CCN(Cc1ccco1)C(=O)c1cn(CCCc2ccccc2)nn1 12457975 KMCSKAPYYDYBAG-UHFFFAOYSA-N 362.433 3.170 30 50 FGEA O/C(=N/[C@H](Cc1ccccn1)c1ccccc1)N1CC[C@]2(CCOC2)C1 330143319 YTPJBMQPWSJEHA-CTNGQTDRSA-N 351.450 3.392 30 50 FGEA CCn1nc2c(c1C(=O)N(C)Cc1ccc(C#N)cc1)C[C@H](C)O[C@@H]2C 1875314336 SDNZTANARVCCSK-UONOGXRCSA-N 352.438 3.069 30 50 FGEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 19831042 RRZCPCGOTZGOFJ-KBXCAEBGSA-N 373.474 3.438 30 50 FGEA CCOc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccc(C)cc1 2987440 PAEBBIHVEQPDEP-YDZHTSKRSA-N 366.421 3.325 30 50 FGEA N#Cc1cccc(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1 91468706 PVWYOESEFQLPQM-FQEVSTJZSA-N 371.444 3.218 30 50 FGEA CN(C[C@H](c1cccs1)N1CCOCC1)c1nc2c(cc1C#N)CCC2 329229182 JDUSFANNXBOKQN-GOSISDBHSA-N 368.506 3.013 30 50 FGEA C=CCN1C[C@@H](c2nc(CC(C)C)nn2-c2ccc(OC)cc2)CCC1=O 65398921 ZYSOGXDJPVHTKU-INIZCTEOSA-N 368.481 3.366 30 50 FGEA C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1cccc(C#N)c1 82137116 GHIYTBQEGGXPOF-CYBMUJFWSA-N 353.809 3.089 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(OC)c1C)CC2 91440818 QTVUGVLGGNEMTK-UHFFFAOYSA-N 356.466 3.034 30 50 FGEA C=CCN1CC[C@H](CNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 584886439 GQRMBLZRGKLGBZ-OAHLLOKOSA-N 355.404 3.355 30 50 FGEA CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S1 5647605 VUZDEWSCONAAPY-OVCLIPMQSA-N 371.374 3.270 30 50 FGEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 14952490 SZWOKPWQSYVPAY-NRFANRHFSA-N 374.456 3.142 30 50 FGEA C#CCCCS(=O)(=O)N1CC=C(c2cccc(OC(F)(F)F)c2)CC1 952845093 LKDXIANJLWBPEI-UHFFFAOYSA-N 373.396 3.418 30 50 FGEA O=S(=O)(CCc1ccccc1)/N=C/c1cc(Br)ccc1O 942208 WBKYLTJMRHAGGT-GZTJUZNOSA-N 368.252 3.146 30 50 FGEA Cc1ccc(C(C)(C)C/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)c1 330252817 INSSRXHUJXJXKW-SXLOBPIMSA-N 374.525 3.357 30 50 FGEA Cc1cc(N2CCN(Cc3ccc(C#CC(C)(C)O)s3)CC2)cc(C)n1 825145547 OQWTWNOUQYKCCF-UHFFFAOYSA-N 369.534 3.205 30 50 FGEA Cc1ccc(C[C@@H]2S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)cc1 5034902 ZLMUOGDWXPMQLY-ZVCOJXFSSA-N 368.418 3.067 30 50 FGEA C#CCCC1(CCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)N=N1 2325891954 NOGURGMAMLBKJS-UHFFFAOYSA-N 354.454 3.364 30 50 FGEA CC(=O)Nc1ccc(/C=N/Nc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])cc1 4828571 LVHPGEARSNCWKX-RQZCQDPDSA-N 357.326 3.216 30 50 FGEA Cc1cnccc1N1CCCN(Cc2ccc(C#CC(C)(C)O)s2)CC1 65384917 MLPMUWZLPWMTEH-UHFFFAOYSA-N 369.534 3.286 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@H](c3cc(N4CCCC4)nc(C)n3)C2)n1 72406757 NIRMIAUJMQHYFQ-SFHVURJKSA-N 362.481 3.344 30 50 FGEA C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12432739 FZAJANIESBKECU-KRWDZBQOSA-N 360.885 3.322 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccco1)c1ccc(F)cc1 15961964 PNPZDADSFMQDJG-YOEHRIQHSA-N 371.364 3.176 30 50 FGEA O=[N+]([O-])c1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 19772995 PSXBWGDGYZKOBF-DEDYPNTBSA-N 358.829 3.400 30 50 FGEA Cc1cscc1N=C(O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328620115 GRVFREHUIHLMFB-WMLDXEAASA-N 361.515 3.350 30 50 FGEA Cc1cncc(N/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)c1 328624581 CNWDLEPMIABMTH-BBRMVZONSA-N 363.462 3.093 30 50 FGEA N#Cc1nccc(N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)n1 952895226 SHKDOVHFDDUIEF-UHFFFAOYSA-N 360.396 3.328 30 50 FGEA C#CCOc1ccccc1[C@H]1CC(=O)Nc2cc(N3CCCC3=O)ccc21 65425880 XGJBGVPXIXDZLY-SFHVURJKSA-N 360.413 3.300 30 50 FGEA C=Cc1cccc(-c2cc(-c3ccccc3OCC(N)=O)nc(N)c2C#N)c1 71730618 SMNLSAFHEGEUKB-UHFFFAOYSA-N 370.412 3.377 30 50 FGEA O=C(CN1C=C/C(=C2\C=CC=[S+]2)N=C1)c1cccc(Br)c1 328579907 NFFCOYYDTYCKDM-PEZBUJJGSA-N 360.256 3.156 30 50 FGEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 915195 UMPKHGZYBMEVJB-HSZRJFAPSA-N 359.425 3.006 30 50 FGEA CC(C)c1noc([C@@H](N/C(O)=N/C(C2CC2)C2CC2)C2CCOCC2)n1 328633624 SQUMTSIJXMFFHQ-INIZCTEOSA-N 362.474 3.353 30 50 FGEA O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(c2ccccn2)CC1 5092779 GJEBVOBWPOHWPZ-UHFFFAOYSA-N 367.452 3.444 30 50 FGEA CC(C)Cc1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)nc(O)n1 952978363 KZLNDZBTWRIWGT-UHFFFAOYSA-N 364.449 3.078 30 50 FGEA COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc(OC)c1O 1302365 PFCMORHGMYASKH-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA C#CCN(CC=C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 12386610 NQIBUBBVONUGIO-UHFFFAOYSA-N 356.429 3.177 30 50 FGEA Cc1cc(/C(O)=N/C[C@@H]2CCCCS2(=O)=O)c(Br)s1 329683423 ZDHADUXFNWFPML-VIFPVBQESA-N 366.302 3.091 30 50 FGEA CCC1(/N=C(/O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)CCOCC1 329999442 UTTGCNRZQMIWLB-UHFFFAOYSA-N 372.473 3.245 30 50 FGEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccc(F)cc2Cl)cc1 222735832 WFRXPGKXLQZCLS-QZTJIDSGSA-N 374.799 3.317 30 50 FGEA CCC#CCN1C[C@@H]2CN(C(=O)CSC)C[C@@]2(CCc2ccccc2)C1 1772705094 OZWFXPYDTWLLIM-IFMALSPDSA-N 370.562 3.156 30 50 FGEA CCOc1ncc(/C(O)=N/[C@@H]2CCCN(CC(F)(F)F)C2)cc1Cl 330611150 OMMJNBYNODWMAZ-LLVKDONJSA-N 365.783 3.465 30 50 FGEA Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2n1 1003034 GIHBXTAPFJAZKD-UHFFFAOYSA-N 362.727 3.148 30 50 FGEA N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)c3ccc[nH]3)CC2)o1 216250408 HWRYOBIPEBIPSR-UHFFFAOYSA-N 360.417 3.104 30 50 FGEA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(O)=Nc2cccc(NC(=O)C(N)=O)c2)o1 328589557 QKDUTVARSIOBJD-LPIAKDFXSA-N 353.378 3.128 30 50 FGEA COc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1Cn1cccn1 71415544 UCNSRWDFCXPTEM-UHFFFAOYSA-N 370.416 3.451 30 50 FGEA C=CCc1cc(CN2CCC(c3nc(N)n[nH]3)CC2)ccc1OC(C)C 820505645 NZWXYZYAHQVRLT-UHFFFAOYSA-N 355.486 3.282 30 50 FGEA COC(=O)c1ncc(N=C(O)CCc2nc(C(C)C)no2)cc1Cl 328595246 OWVKCQTTZXASDD-UHFFFAOYSA-N 352.778 3.249 30 50 FGEA N#Cc1cc(O)cc(C(=O)N[C@]2(Cc3cccc(Cl)c3)CCOC2)c1 1875331900 YTSNTEADDZAWCA-IBGZPJMESA-N 356.809 3.049 30 50 FGEA C#CCCC1(CCC(=O)NCc2cccc(COC[C@H]3CCCO3)c2)N=N1 2325892119 ABSLPAKSMZTFCV-LJQANCHMSA-N 369.465 3.354 30 50 FGEA CC(C)C(=O)N1CCc2nc(N)c(C#N)c(-c3ccc(O)c(Cl)c3)c2C1 72165645 BUISWCHRCBRXAM-UHFFFAOYSA-N 370.840 3.102 30 50 FGEA CCOc1ccc(NC(=O)N(C)CCc2noc(C(C)C)n2)cc1C#N 96163967 NLBNYNQHQILLOE-UHFFFAOYSA-N 357.414 3.170 30 50 FGEA N#Cc1ccc(C(=O)N2CCc3[nH]c(-c4ccc(F)cc4F)nc3C2)cc1 96137481 YDDQNWXEGKXHJS-UHFFFAOYSA-N 364.355 3.425 30 50 FGEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)c1 952976778 HWDGZZZSSOIGHH-HXUWFJFHSA-N 365.477 3.091 30 50 FGEA C=CCOc1ccccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 1805168 GTAVCYQYLMNDPF-SDNWHVSQSA-N 363.460 3.317 30 50 FGEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 632603 ANTTUCZKNUXJJO-CQSZACIVSA-N 361.825 3.440 30 50 FGEA CCc1onc(C)c1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328643767 YWWBERCWSDXDRB-JTQLQIEISA-N 356.348 3.328 30 50 FGEA C#CCOc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)ccc1OC 217627206 DCBRVMZFGJJQJD-HNNXBMFYSA-N 366.369 3.056 30 50 FGEA biogenic CSc1ccc(-c2c(C#N)c(N)nc3c2c(=O)nc2sccn23)cc1 19874370 UEHCNEBZKQRJHP-UHFFFAOYSA-N 365.443 3.147 30 50 FGEA C#CCCC1(CCC(=O)NC[C@H](c2ccccc2)C2CCNCC2)N=N1 2325900969 PEMLBMGFWRSRFO-LJQANCHMSA-N 352.482 3.242 30 50 FGEA N#CCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1099367 XDMABRMDPMUFGI-UHFFFAOYSA-N 351.225 3.316 30 50 FGEA C=CCN1CCN(C(=O)c2cc(Br)c(CCC)s2)CC1 20337206 OZCNXBIHCSIVPX-UHFFFAOYSA-N 357.317 3.407 30 50 FGEA COc1cc(-c2cc(-c3ccco3)nc(N)c2C#N)cc(OC)c1OC 71759788 DHUCABPDOXZRJS-UHFFFAOYSA-N 351.362 3.488 30 50 FGEA Oc1ccc(Br)cc1/C=N/N1CCN(Cc2ccccc2)CC1 19771324 AOWZKTAGLHAXBR-DEDYPNTBSA-N 374.282 3.306 30 50 FGEA C=CCN(Cc1cccc(OC)c1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 55090897 WNYJVXCPAZEROH-FQEVSTJZSA-N 363.461 3.261 30 50 FGEA COc1ccc(C#N)cc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328648448 UOJCFVCOBCUZNR-RXVVDRJESA-N 350.466 3.087 30 50 FGEA COc1cccc(OC[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)c1 77379233 CLWUQHOQYPQLJA-QGZVFWFLSA-N 350.418 3.498 30 50 FGEA CN(C)c1ccnc(-n2cccc2/C=N/OCc2cccc(F)c2)c1C#N 20218982 MIZNXZZZCKYEEO-ZMOGYAJESA-N 363.396 3.500 30 50 FGEA Oc1ccc(Br)cc1/C=N/NC(=S)Nc1ccccc1 731279 VIJHSSPHLZACQD-CXUHLZMHSA-N 350.241 3.475 30 50 FGEA C#CCCC1(CCNCc2nc3cc(Br)ccc3n2C)N=N1 1875306211 XIJAMYHFNCQHKM-UHFFFAOYSA-N 360.259 3.391 30 50 FGEA C=CCN(CC=C)C(=O)c1ccc(OC)c(I)c1 1003856 OMXZCWYXZPMXDA-UHFFFAOYSA-N 357.191 3.114 30 50 FGEA N#CCCn1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2cccs2)n1 3354158 WOQRAAVIMCZOPI-UHFFFAOYSA-N 366.402 3.476 30 50 FGEA COCc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 248628330 QSCOGUVBHXDMKB-RDJZCZTQSA-N 359.470 3.294 30 50 FGEA N#Cc1cccnc1N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2)C1 1565513840 VCBVRJROEFYGPQ-UXHICEINSA-N 360.461 3.013 30 50 FGEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn(CC)c2nc(C)ccc2c1=O 1506406774 JEBHPEGQASNHDK-HZPDHXFCSA-N 351.450 3.460 30 50 FGEA C=C(C)CNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12750627 ZTDQMKAVONOHMI-OAQYLSRUSA-N 369.553 3.098 30 50 FGEA N#Cc1ccc(C(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)cc1 261694337 HRRMNLARWYJSIC-SFHVURJKSA-N 351.475 3.404 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)N=N1 2325894855 TXOPQMIEUZGXCR-CYBMUJFWSA-N 367.409 3.278 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)cc1 654741 AKYHLJIEAZRKAU-SFHVURJKSA-N 361.397 3.437 30 50 FGEA C=CCSc1nnc([C@H]2CCCN(Cc3ccc(COC)o3)C2)n1C 15072751 LOBDFUVYJXOZJO-AWEZNQCLSA-N 362.499 3.212 30 50 FGEA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)[C@]2(O)C(F)(F)F 2396578 ZHARTMFQCHWLBD-INIZCTEOSA-N 357.303 3.109 30 50 FGEA CC(C)c1noc([C@H](N/C(O)=N/C(C2CC2)C2CC2)C2CCOCC2)n1 328633625 SQUMTSIJXMFFHQ-MRXNPFEDSA-N 362.474 3.353 30 50 FGEA CC/N=C(/O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C(=O)N(C)C)C1 328602218 AVAXWIHTOVKNDQ-OAHLLOKOSA-N 369.469 3.058 30 50 FGEA C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)OC(C(F)(F)F)C(F)(F)F 23279720 XTJQYCIFINHYHJ-IUCAKERBSA-N 360.250 3.334 30 50 FGEA Cc1ccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)cc1Cl 103074004 ZWVIXFMICMQPMH-UHFFFAOYSA-N 354.841 3.268 30 50 FGEA C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(OC)cc3O)C2)n1C 14981054 FIKQKMIUCXEKNA-OAHLLOKOSA-N 374.510 3.187 30 50 FGEA COC(=O)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 19771341 SIBSISCNTXQXEG-HYARGMPZSA-N 371.868 3.278 30 50 FGEA CC(C)/C(N)=N/O[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 128402912 QFTKQDMLVLFMOZ-AWEZNQCLSA-N 357.376 3.141 30 50 FGEA Cc1n[nH]c(C)c1CCCNC(=O)N1CCC(C#N)(c2ccccc2)CC1 426360131 JHMFOFXLIFTYHX-UHFFFAOYSA-N 365.481 3.226 30 50 FGEA CCCn1ncnc1[C@H](C)NC(=O)c1cccc(-c2ccc(C#N)nc2)c1 534663271 PHVMWGQZDZGXLS-AWEZNQCLSA-N 360.421 3.113 30 50 FGEA C=CC[C@H]1CC=C[C@H](C)N1Cc1ccccc1OCCN1CCOCC1 1616116020 FLEVKVGMAVLZAU-FPOVZHCZSA-N 356.510 3.493 30 50 FGEA Cc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(N(C)C)cc3)NC2=O)cc1 12843868 RHAKDESVJBGCRV-LANLRWRYSA-N 366.490 3.225 30 50 FGEA CS(=O)(=O)c1c(F)cc(N=C(O)[C@H]2C[C@H]2c2cccnc2)cc1F 328590455 CNDFLDUSXNNHCV-RYUDHWBXSA-N 352.362 3.155 30 50 FGEA CN(CC1(CO)CCOCC1)C(=O)c1ccc(-c2ccccc2C#N)cc1 426444861 CUXUUSXBBDICIU-UHFFFAOYSA-N 364.445 3.086 30 50 FGEA C=CCc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 91595736 SXNQEPZWQFXYOS-JOCHJYFZSA-N 352.478 3.422 30 50 FGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2ccncc2F)C1 1857725391 UKASORKBTRNSLU-OAHLLOKOSA-N 369.396 3.032 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(/C(O)=N/[C@@H]3CC[C@@H]4CCC[C@@H]4C3)C2)nc1 330180006 FQJVTTWSGDYXQM-BSDSXHPESA-N 354.454 3.289 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(OC)c1 100416611 WTZQHFZDTFPDRA-SFHVURJKSA-N 361.397 3.437 30 50 FGEA CC(C)[C@@H]1CN(c2ncccc2C#N)CCC(=O)N1Cc1ccc(F)cc1 71712263 YHTBWGKQPUMMLS-IBGZPJMESA-N 366.440 3.356 30 50 FGEA CC(C)CN1CCN(Cc2ccc(-c3ccccc3C#N)o2)C[C@H]1CCO 225317814 OBKPKUMWDAGPCF-LJQANCHMSA-N 367.493 3.343 30 50 FGEA CCCN1CCCN(C(=O)c2cccc(-c3cc(C#N)ccc3O)c2)CC1 426361747 RAJVENXAJXAVCI-UHFFFAOYSA-N 363.461 3.489 30 50 FGEA N#C[C@@]1(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)CCc2ccccc2C1 183959421 FAOZTCKZHHGQOS-LAUBAEHRSA-N 366.848 3.459 30 50 FGEA CC1(C)OB(c2ccc(NC(=O)OCc3ccccc3)nc2)OC1(C)C 169746218 ZNTOHEZTSVNZCA-UHFFFAOYSA-N 354.215 3.130 30 50 FGEA in-vitro C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O 1131678 BBZAWPZMNHEPLP-VMOJBDSFSA-N 358.463 3.442 30 50 FGEA CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2ccc(C#N)cc12 5672949 VGWCAQJNZUEEQA-UHFFFAOYSA-N 363.329 3.127 30 50 FGEA C#CCCC1(CCNC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)N=N1 2325891121 RNRUXHBQLMXEJX-FQEVSTJZSA-N 366.465 3.011 30 50 FGEA N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccc3)C2)cn1 82127503 YANLTRDILIPMIK-IBGZPJMESA-N 371.444 3.218 30 50 FGEA CC(C)C[C@H](NC(=O)c1cccc(-c2ncccc2C#N)c1)c1ncnn1C 426487426 PKBYJTDHHDXHFE-SFHVURJKSA-N 374.448 3.266 30 50 FGEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1c(O)ccc3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226557 CATCDIJZYNTTGI-NIDZPHRUSA-N 358.397 3.077 30 50 FGEA C[C@@H](NCc1ccc(C#CCCO)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952975574 LJIACZBEQMAFBP-QNNYPBFYSA-N 353.506 3.230 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)cc1 654738 AKYHLJIEAZRKAU-GOSISDBHSA-N 361.397 3.437 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F 4820125 PZWMQSZWTKGXHM-HNNXBMFYSA-N 361.394 3.112 30 50 FGEA O=C(O)C(=O)/C(=N/Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 23279815 PPQUZLYRVSWLKL-DEDYPNTBSA-N 365.172 3.298 30 50 FGEA C=CCCC[C@@H]1NC(=O)N(Cc2ccccc2-n2nc(C)cc2C)C1=O 1345149581 AQPLHEVTHMYOFD-KRWDZBQOSA-N 352.438 3.266 30 50 FGEA N/C(=N\OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccncc1 5059967 SILRXERXOYEGDE-UHFFFAOYSA-N 374.611 3.284 30 50 FGEA O=C(NC[C@H]1CCCN(CC#Cc2ccccc2)C1)c1ccc(F)cc1 11762309 AAVPYUBKGUQWEG-LJQANCHMSA-N 350.437 3.319 30 50 FGEA C=CCn1c(COc2cccc3cccnc23)nnc1SCCC(=O)O 4292094 WCIHFXXGGQGENO-UHFFFAOYSA-N 370.434 3.158 30 50 FGEA CCCNc1ncc(-c2cc(-c3ccc(O)cc3C)nc(N)c2C#N)cn1 71419212 VOAZQYZSYXUMJP-UHFFFAOYSA-N 360.421 3.495 30 50 FGEA Cc1c(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)oc2ccccc12 328630123 JAWCVKFOAWPZSP-UHFFFAOYSA-N 356.422 3.373 30 50 FGEA N#Cc1cc2n(n1)CCCN(C(=O)[C@H]1CCCc3c1[nH]c1ccccc31)C2 584894154 LVFCSDADQRVYTC-SFHVURJKSA-N 359.433 3.088 30 50 FGEA CCOc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)Nc3ccccc3)N2)cc1 987721 BWDJDYRAZRFLPF-INIZCTEOSA-N 352.394 3.030 30 50 FGEA C=CCC(O)(CC=C)CNC(=O)[C@@H]1CC(Cc2ccccc2Cl)=NO1 11973918 TUDJWYMCSOURNM-KRWDZBQOSA-N 362.857 3.027 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NC1CCCC1)C2 14733395 JQGPPJMNSAVORK-KRWDZBQOSA-N 356.514 3.085 30 50 FGEA CC(C)[C@@H](/C(O)=N/Cc1ccc(C2CCC2)cc1)N1CCCS1(=O)=O 330220780 LBOOFHDXFQRVOX-SFHVURJKSA-N 364.511 3.471 30 50 FGEA C=C(C)CN(CC)C(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1 12713647 JNHBCAGWZBJVRB-UHFFFAOYSA-N 352.360 3.383 30 50 FGEA COc1ccc(-c2ncc(-c3c(C#N)c(N)nc4c3CO[C@@H]4C)cn2)cc1 71763772 YELCZNCEGZPOAC-LLVKDONJSA-N 359.389 3.259 30 50 FGEA Cn1nccc1N1CCC[C@H](/N=C(/O)COc2ccc3c(c2)CCCC3)C1 329948980 LDCZYYZJSUWQHX-SFHVURJKSA-N 368.481 3.303 30 50 FGEA C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C(=O)O)c2C#N)C1 1875404235 AMFVLUWXGBRYTC-YPGUSZMHSA-N 356.447 3.206 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)NC[C@H]1COc2ccccc2O1 217928656 ZBXODCYLEQTELR-INIZCTEOSA-N 363.413 3.149 30 50 FGEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(O)c2)cc1OC 1455445 AAZQDWWFPVNUKW-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA N#Cc1nc(COc2cccc(Cl)c2)oc1NCCCn1ccnc1 13768297 RGJTUOZWVBTMHT-UHFFFAOYSA-N 357.801 3.477 30 50 FGEA Cc1nsc(NC[C@]2(F)C[C@H](NC(=O)[C@@H]3CCC[C@H]3C)C2)c1C#N 1875408365 ULMAHMXIUZHIEE-CNEMSGBDSA-N 350.463 3.158 30 50 FGEA Fc1ccc(C#CCN2CCOC[C@H]2c2nc(-c3cccs3)no2)cc1 376383294 GQCTYHDOEFMYIS-INIZCTEOSA-N 369.421 3.362 30 50 FGEA Cc1ccc(C)c(S(=O)(=O)N/N=C\c2c(O)ccc3ccccc23)c1 13736799 GMTLSJBJYVWHLD-NDENLUEZSA-N 354.431 3.475 30 50 FGEA C#Cc1cccc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 128861028 XBIQJMSCEOBMGG-UHFFFAOYSA-N 369.424 3.404 30 50 FGEA CN([C@H]1CC[C@@H](C(F)(F)F)CC1)S(=O)(=O)CC1(C#N)CCCC1 329355735 ZBIGZQQPCZYZFZ-BETUJISGSA-N 352.422 3.453 30 50 FGEA C#CCCC1(CCC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)N=N1 2325892613 UIRIBPYKJIDDLX-UHFFFAOYSA-N 366.465 3.105 30 50 FGEA C#CCCC1(CCC(=O)NCc2cc(F)ccc2-n2ccnc2C)N=N1 2325892728 ZHAUDDYTVUWZNP-UHFFFAOYSA-N 353.401 3.292 30 50 FGEA Cc1ccc(OC2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 116882931 FVHFRMMUMMRVAY-UTKZUKDTSA-N 357.498 3.281 30 50 FGEA N=C(O)Cn1cc(N=C(O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)cn1 328606047 QECAXJBIJNEDDA-OXQOHEQNSA-N 367.453 3.309 30 50 FGEA N#Cc1cc(F)cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)c1 1704329670 AGDRCXPADRCNNJ-UHFFFAOYSA-N 356.422 3.463 30 50 FGEA C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccco1 9263535 MYBKWPWZKXESTO-SNVBAGLBSA-N 361.452 3.300 30 50 FGEA Cc1ccccc1-n1cc(-c2cc(C3CCNCC3)c(C#N)c(N)n2)cn1 71763143 AYDMBGDZXUKSAA-UHFFFAOYSA-N 358.449 3.164 30 50 FGEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 217699587 MONOFHPNQNLHLJ-MRXNPFEDSA-N 366.369 3.233 30 50 FGEA biogenic CN(C(=O)[C@@H]1CC12CCN(c1nc3c(cc1C#N)CCCC3)CC2)C1CC1 361047973 HICGKKRXXBLZRK-SFHVURJKSA-N 364.493 3.059 30 50 FGEA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)c1 284474864 FAOMFMHDYGXWRU-IKGGRYGDSA-N 354.372 3.333 30 50 FGEA N#Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)c1 91320334 OWTFGLQAXNCHSM-YLJYHZDGSA-N 361.449 3.082 30 50 FGEA C[C@@H](C1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1)N1CCCC1 1506405580 KCULAOJNRKDYCG-SFHVURJKSA-N 368.521 3.146 30 50 FGEA Cc1nc(N2CCC[C@@H]2c2ccc(CN(C)C)cc2)c(C#N)cc1C(=O)O 1704355312 QGTDHJRMFGVFSP-LJQANCHMSA-N 364.449 3.363 30 50 FGEA Cc1nc(N2CCC[C@H]2c2ccc(CN(C)C)cc2)c(C#N)cc1C(=O)O 1704355311 QGTDHJRMFGVFSP-IBGZPJMESA-N 364.449 3.363 30 50 FGEA N#Cc1ccc(NC(=O)CCN2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl 246572887 BXOROAQRDCDKSP-HNAYVOBHSA-N 361.873 3.167 30 50 FGEA COc1cc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 1422961 YXGDGRUNZNIRKR-GFCCVEGCSA-N 360.406 3.386 30 50 FGEA Cc1ccc(-n2nnnc2CSc2nc(C)cc(C)c2C#N)c(C)c1 9423461 IZWQHZYLPJNSJF-UHFFFAOYSA-N 350.451 3.455 30 50 FGEA CCSc1nc2n(n1)[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 6677851 KVPRKTUKLSDKNI-OAHLLOKOSA-N 355.467 3.443 30 50 FGEA C=CCc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1OC 10113449 YFUOVLLHWULOMI-UHFFFAOYSA-N 366.461 3.190 30 50 FGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccc(F)cc1)O3 169691692 ZAHTUSMPCRFEFD-OSGQAZFXSA-N 350.353 3.335 30 50 FGEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NC1CCCC1)C2 14751140 PTHUOYOAKWYOJK-SFHVURJKSA-N 370.541 3.475 30 50 FGEA CN(CCOc1ccccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 264976745 QGSJSVPZHLCLGO-UHFFFAOYSA-N 363.461 3.174 30 50 FGEA C=CCOc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 20512538 VYFBORCYLPCPIU-UHFFFAOYSA-N 352.434 3.336 30 50 FGEA CC(O)=Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cn3cc(C)nc3s2)C1 329536445 LVQWYIFYMJCYAD-GFCCVEGCSA-N 372.454 3.055 30 50 FGEA CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1noc2c1CCCCC2 158798935 WTQWMQJIEKTWIO-AWEZNQCLSA-N 367.405 3.303 30 50 FGEA CC(C)(C)OC(=O)N[C@@H]1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 202424796 KBEVOGLZFVQKOZ-QGZVFWFLSA-N 373.302 3.368 30 50 FGEA CCCc1cc(=O)[nH]c(S[C@H](CC)C(=O)Nc2ccccc2C#N)n1 18067319 RPDAWOCUPTWTLH-OAHLLOKOSA-N 356.451 3.103 30 50 FGEA C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccncc1 18068194 VCQANSVJKIDVIP-GASCZTMLSA-N 371.510 3.123 30 50 FGEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 19639598 WNXWQMZMCZXXRQ-LJQANCHMSA-N 352.434 3.415 30 50 FGEA COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 105208433 RYZDYIKCAYCJEZ-QVPKGFIBSA-N 372.424 3.380 30 50 FGEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CC(=O)Nc1cc(OC)ccc1OC 55414406 DZYURHINGIQRPU-HUUCEWRRSA-N 358.438 3.154 30 50 FGEA CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc2c(c1)OCC(=O)N2 55403182 KTQQDAZVSQQMGR-UHFFFAOYSA-N 362.429 3.167 30 50 FGEA CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(=Cc2cccc(F)c2)CC1 330380646 VADXEUOVBUCONG-OAHLLOKOSA-N 365.474 3.031 30 50 FGEA CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 408106588 LJYBGXQJDUXYER-UHYGZKCKSA-N 356.426 3.223 30 50 FGEA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)C2=C(CCCC2=O)N1 5918214 FINPHJSROLJOHU-FQEVSTJZSA-N 360.417 3.083 30 50 FGEA Cc1nc(CC2CC2)oc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N 1875261902 NRVRWOCHDOKUEQ-JTQLQIEISA-N 359.407 3.053 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1220328 FGNVVWUAUZLCLH-QGZVFWFLSA-N 352.346 3.392 30 50 FGEA C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CC)C2=O)cc1OC 2852039 HBAYGYHTACTMAE-LCYFTJDESA-N 351.811 3.417 30 50 FGEA CCCCN(CC#Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[nH]1 65374446 XTNHUSIUJFGHDE-UHFFFAOYSA-N 359.429 3.217 30 50 FGEA OC(=Nc1ccccc1N1CCCCCC1)c1ccc2nnc(O)n2c1 328661643 AILIKHMQVZXANR-UHFFFAOYSA-N 351.410 3.452 30 50 FGEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Nc2ccsc2)cs1 328645673 SHAGBMGGWALNIR-FZMZJTMJSA-N 354.476 3.452 30 50 FGEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccn(C)n3)nc21 20604623 SWIVRFHHFGPXNM-UHFFFAOYSA-N 367.356 3.059 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91736972 WPLRJRQRVQSGQN-SFHVURJKSA-N 371.444 3.218 30 50 FGEA COc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)c(OC)c1OC 1300310 AWOFJYKMSZYMNR-RQZCQDPDSA-N 360.395 3.109 30 50 FGEA N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCCC2=O 1827395 ADNRNLCVCYMYBD-UHFFFAOYSA-N 355.394 3.342 30 50 FGEA C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccco1 2387192 BFXHMFFZKPAUQA-UHFFFAOYSA-N 357.391 3.110 30 50 FGEA C=CCN(Cc1ccc(SC)cc1)C(=O)[C@H](C)Cn1nc(C)nc1C 55413389 GZQUYRWVHQLAJJ-CQSZACIVSA-N 358.511 3.468 30 50 FGEA Cc1nsc(NC2CC2)c1/C(O)=N/[C@@H]1CCOC2(CCOCC2)C1 328944655 UUSMYYQUSIVAPQ-CYBMUJFWSA-N 351.472 3.059 30 50 FGEA Cc1cncc(N=C(O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)c1 328614206 AAAPNTBSPXYJAT-QGZVFWFLSA-N 367.453 3.084 30 50 FGEA CCCn1nnc2cc(-c3cc(-c4ccc(CO)o4)c(C#N)c(N)n3)ccc21 71589538 QRAHJDQZXYCMLX-UHFFFAOYSA-N 374.404 3.109 30 50 FGEA Cc1cc(C)n([C@H]2CCN(CCCC(=O)Nc3ccc(C#N)cc3)C2)n1 252483313 DYWUBBRBHFKQQC-IBGZPJMESA-N 351.454 3.037 30 50 FGEA C=CCSc1nnc([C@H]2CCCN(Cc3ccc(O)c(OC)c3)C2)n1C 299801105 XYENKTJBOLUKCR-HNNXBMFYSA-N 374.510 3.187 30 50 FGEA C=CCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OC)c1O 1147763 DNVIABRGYLWCOC-LFIBNONCSA-N 350.374 3.227 30 50 FGEA C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 13880720 FQPNEWPOTRGXSN-XNTDXEJSSA-N 353.355 3.314 30 50 FGEA CC(C)(/C(O)=N/[C@H]1COc2c1ccc(Cl)c2Cl)N1CCOCC1 328675498 KRIBQOCJGGEJGU-LBPRGKRZSA-N 359.253 3.494 30 50 FGEA CN(CC1CCC(/N=C(/O)c2cscn2)CC1)C(=O)c1cscn1 329539979 MXENXOGBTWPWPR-UHFFFAOYSA-N 364.496 3.235 30 50 FGEA N#Cc1cccc(C2(NC(=O)Cc3ccc4c(c3)CCC(=O)N4)CCC2)c1 2325780459 IRICFENJFUBYCC-UHFFFAOYSA-N 359.429 3.181 30 50 FGEA C#CCCC1(CCNC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)N=N1 2325891088 PVUCBKFPZPNQNB-UHFFFAOYSA-N 368.416 3.225 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc([N+](=O)[O-])c(C)s1 792588 OLXWZTOOEONOFY-INIZCTEOSA-N 362.407 3.106 30 50 FGEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 281302118 IBQDHNXQHLTZLI-IPJJNNNSSA-N 370.493 3.026 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 91426342 CKGFNICCJHINMI-LJQANCHMSA-N 358.449 3.286 30 50 FGEA O=[N+]([O-])c1ccc(-c2ccc(/C=N/n3cnnc3)o2)c(Br)c1 1194780 XZDNFGFNLDWJAV-UBKPWBPPSA-N 362.143 3.091 30 50 FGEA C#CCN1CC[C@@H](N(C)[C@H](C)c2cc(-c3ccccc3)[nH]n2)CCC1=O 14990902 NKYALKVOKGGXLR-AEFFLSMTSA-N 350.466 3.084 30 50 FGEA CC(C)C[C@]1(CO)CCCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 19842018 KVAVVNHMVOLQBV-JOCHJYFZSA-N 357.494 3.070 30 50 FGEA CCCN(CC#Cc1ccccc1)C(=O)CCc1nc(-c2ccncc2)no1 55393723 CPRFKVUALSZKLJ-UHFFFAOYSA-N 374.444 3.355 30 50 FGEA O/C(=N/Cc1ccon1)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 328605455 NSZOTAHNXBQFAB-WMZOPIPTSA-N 352.394 3.154 30 50 FGEA O=C(O)CC1(NC(=O)CC2=C(c3ccccc3)CCC2=O)CCCCC1 222513792 XUUQLIGHRDNJMC-UHFFFAOYSA-N 355.434 3.487 30 50 FGEA CC(C)n1cc(C#N)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n1 160986772 ATEQTTVFYBFIFG-QGZVFWFLSA-N 351.454 3.186 30 50 FGEA CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 252327486 FFRJRVSCSJRNDF-YBVCYGFWSA-N 370.836 3.126 30 50 FGEA N#Cc1ccc(NC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)cn1 299771571 QZXHPZZUTJGHLC-SFHVURJKSA-N 353.401 3.051 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)NCCc1nc2c(s1)CCC2 952988785 PURASJIJRCHTKI-UHFFFAOYSA-N 366.486 3.497 30 50 FGEA C=CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2C)SC1=S 16266924 QRYHZKWBYCYDOS-VBKFSLOCSA-N 360.504 3.219 30 50 FGEA OCC#Cc1csc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)c1 55060780 CEHGPQWPFGRKBI-LJQANCHMSA-N 359.466 3.412 30 50 FGEA Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1Br 100182468 WBSFXZTVKOZXJL-KYTQBNGPSA-N 373.250 3.289 30 50 FGEA C=CCn1cnc(-c2ccccc2)c1-c1ccc(CN(C)S(C)(=O)=O)o1 65491899 WPKGYJYFQRMLGR-UHFFFAOYSA-N 371.462 3.388 30 50 FGEA CC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 170008884 PACZWTPIBAWVLF-UHFFFAOYSA-N 359.275 3.500 30 50 FGEA COc1ccc(OC)c([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 1427996 TVQYBPXGWRCYQM-OAHLLOKOSA-N 372.465 3.140 30 50 FGEA CCOc1cc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)ccc1O 4770194 WHOFQUMPOAVWNT-INIZCTEOSA-N 370.409 3.396 30 50 FGEA C#C[C@@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)[C@H]1CCCO1 239761403 CJVBMIPENOLHNQ-NHCUHLMSSA-N 364.445 3.218 30 50 FGEA Cc1cc(C)c(C#N)c(N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)n1 91575252 JZVYTYNDSLXLFL-OAQYLSRUSA-N 352.482 3.189 30 50 FGEA O=S(=O)(N/N=C/c1ccccc1Br)c1ccc(Cl)cc1 5044529 MJGNWDGZIVLVIZ-CXUHLZMHSA-N 373.659 3.415 30 50 FGEA C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(OCC)c2O)SC1=S 13476644 TZFHYDNGNLBWBW-KPKJPENVSA-N 366.420 3.086 30 50 FGEA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1sccc1C#N)CC2 328656041 ZABZQXBYPOBURV-CQSZACIVSA-N 372.519 3.203 30 50 FGEA C[C@H]1COC(C)(C)CN1C(=O)C/N=C(/O)c1ccc(Cl)c(Cl)c1 331159305 QMUFODDRGDENEP-JTQLQIEISA-N 359.253 3.324 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 6786013 TVWIKSNMYIUHCN-GOSISDBHSA-N 369.392 3.441 30 50 FGEA Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)o1 19216319 LSMMYWOABPHMIX-SFHVURJKSA-N 368.433 3.118 30 50 FGEA Cc1cccc2nc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[nH]c12 2325871007 YNFBHKHHHKHIPM-CQSZACIVSA-N 363.396 3.347 30 50 FGEA C[C@H]1CC[C@@H](c2cccs2)N(Cc2cc(O)n3ncc(C#N)c3n2)C1 2325873782 TWFAIUYRNJLGJO-WFASDCNBSA-N 353.451 3.341 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O 784857 CSICSPJYHJXDLK-UHFFFAOYSA-N 369.421 3.452 30 50 FGEA CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1OC 826311 KUBCEGXRKYAQSL-LJQANCHMSA-N 371.433 3.235 30 50 FGEA COc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)c(Cl)cc1O 71738689 OEJTVNLONIGNRP-UHFFFAOYSA-N 369.812 3.279 30 50 FGEA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C#N)C1 17074921 FZBNSYSZENYNEG-NSHDSACASA-N 364.467 3.201 30 50 FGEA N#Cc1c(N)nc2c(c1-c1c(F)cccc1Cl)c(=O)nc1sccn12 19933100 ZJDXWKZINNJDJM-UHFFFAOYSA-N 371.784 3.218 30 50 FGEA N#Cc1cc(C(F)(F)F)ccc1N1CCc2c(CC(N)=O)cccc2C1 866039413 JCNLBALZHZUMOM-UHFFFAOYSA-N 359.351 3.168 30 50 FGEA C#CCCC1(CCC(=O)N(C)Cc2cc(-c3cccc(OC)c3)n[nH]2)N=N1 2325892901 POEHLTKOZXMSKK-UHFFFAOYSA-N 365.437 3.399 30 50 FGEA CC1(C)OB(c2ccc(F)cc2C(=O)NCc2ccccc2)OC1(C)C 170004130 RAUYWUHDJNJJIK-UHFFFAOYSA-N 355.218 3.055 30 50 FGEA Cc1cc(C)c(S(=O)(=O)N/N=C/c2c[nH]nc2-c2ccccc2)c(C)c1 17075595 ASJMONGBOZJUKQ-CIAFOILYSA-N 368.462 3.314 30 50 FGEA Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccc(Cl)cc2)n1 14607161 LCDGZXCLBKRJNU-UHFFFAOYSA-N 352.785 3.057 30 50 FGEA CN(C)c1ccc(/C=N/N=c2\[nH]nc(Cl)c3ccccc23)cc1[N+](=O)[O-] 4331996 XRDQVCQTOKLPHI-VXLYETTFSA-N 370.800 3.125 30 50 FGEA Cc1csc(/C(O)=N/CC2CCN(CC#N)CC2)c1Br 331163032 ROJBAFLNTFYYPD-UHFFFAOYSA-N 356.289 3.359 30 50 FGEA CCCCC[C@H](O)C/C=C1/C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 27639393 OBTVQKDILGZFPY-WBYUMCMISA-N 352.471 3.395 30 50 FGEA in-vitro N#Cc1cccc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 72174255 ODXVAJNIPYGQSU-HMXCVIKNSA-N 366.415 3.298 30 50 FGEA Cc1ccc(N2CCC[C@@H](N/C(O)=N/CC(C)(C)c3cccs3)C2)nn1 329661104 IMTUDYGNEMQSFP-OAHLLOKOSA-N 373.526 3.297 30 50 FGEA Cc1ccnc(N=C(O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328617389 CQQKCUOESOQFPV-LBPRGKRZSA-N 367.375 3.345 30 50 FGEA Cc1ccccc1[C@@]1(O)CCN(CCCC(=O)Nc2ccc(C#N)cc2)C1 252483993 FLSNBWDJAUHIAA-JOCHJYFZSA-N 363.461 3.179 30 50 FGEA CCc1cc(N2C[C@@H](C(N)=O)CC[C@H]2C)n2c(nc3ccccc32)c1C#N 252515562 LPICJNKBLFJHFU-HIFRSBDPSA-N 361.449 3.012 30 50 FGEA C=CCc1cc(CNC(=O)N2CC[C@@]3(CCCOC3)C2)cc(OC)c1OC 489278493 REGRKZFYYHWJGP-NRFANRHFSA-N 374.481 3.144 30 50 FGEA CCOC(=O)c1ccc(C[C@@H]2S/C(=N\c3cccc(C)n3)NC2=O)cc1 5791035 PBXBRYFJODBIGZ-HNNXBMFYSA-N 369.446 3.029 30 50 FGEA CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1O 3941595 NKPHEWJJTGPRSL-OCCSQVGLSA-N 368.368 3.068 30 50 FGEA in-vitro CN(Cc1cn(-c2cccc(Br)c2)nn1)[C@@H]1CC[C@@H](C#N)C1 294233342 SXLRXOZYIWTWOP-IUODEOHRSA-N 360.259 3.154 30 50 FGEA Cc1nc2n(n1)[C@H](c1cccnc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 4945094 NAWGZFHMSGCODW-OXQOHEQNSA-N 357.417 3.397 30 50 FGEA CC1(C)CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H]1C#N 331541860 YLUPYBDICMRKGN-WMZOPIPTSA-N 371.456 3.219 30 50 FGEA CCOc1cc(C=Nn2c(S)nnc2-c2ccc(OC)cc2)ccc1O 252429461 RCMBAIBUVUVDKE-UHFFFAOYSA-N 370.434 3.229 30 50 FGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(Cc2nncn2C(C)C)C1 1875246648 DMIVAYSKGVSETD-QGZVFWFLSA-N 369.469 3.030 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)N=N1 952880105 CBCHSYPNSUWNMP-INIZCTEOSA-N 354.454 3.374 30 50 FGEA N#Cc1cnnc(N2C[C@]34CCCC[C@@]3(CN(Cc3ccccc3)C4)C2)c1 1875347380 NCPWOVFXZBXESJ-FGZHOGPDSA-N 359.477 3.231 30 50 FGEA C[C@H]1CC[C@H](c2cccs2)N(Cc2cc(O)n3ncc(C#N)c3n2)C1 2325873781 TWFAIUYRNJLGJO-SWLSCSKDSA-N 353.451 3.341 30 50 FGEA CN(Cc1ccc(C#CCO)s1)[C@H]1CCCN(Cc2ccccc2F)C1 22853523 KNJXQQJUCIYOLZ-SFHVURJKSA-N 372.509 3.327 30 50 FGEA CCn1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cn1 2775614 AHRDRBIBJCQIKO-SNVBAGLBSA-N 373.507 3.088 30 50 FGEA CN(C[C@H](O)c1ccc(C#N)cc1)C1CCN(c2cccc(F)c2)CC1 360038709 WHFREIOGODHARI-NRFANRHFSA-N 353.441 3.332 30 50 FGEA C=CCn1nc(C(=O)OCC)c2c1CCN(CCCc1ccccc1)C2 14753969 AZWGMEYAXPGWPE-UHFFFAOYSA-N 353.466 3.237 30 50 FGEA CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 122157897 HKFSLSROBHHZOK-SMDDNHRTSA-N 368.264 3.401 30 50 FGEA C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72424028 IOFMZTHITRVIBY-QFIPXVFZSA-N 369.509 3.415 30 50 FGEA OCC#Cc1csc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)c1 1529178841 QSOJTQOQWWSELK-LEWJYISDSA-N 353.487 3.444 30 50 FGEA C#C[C@@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(F)cc1 812486463 QETNQMZZPMPWTQ-QGZVFWFLSA-N 359.364 3.447 30 50 FGEA C#C[C@H](NC(=O)Nc1ccc2ccc(=O)n(C)c2c1)[C@H]1CCc2ccccc21 1875341461 UNAAVTMTWAFLRN-PMACEKPBSA-N 371.440 3.392 30 50 FGEA Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(C#N)nc3)C2)c1 1875340520 GDVHNFGOGPYVSJ-WMLDXEAASA-N 352.413 3.411 30 50 FGEA CCCCCNC(=O)[C@H](C#N)C(=O)c1ccc(F)cc1Br 1875390293 ILMTUANEKLEJSZ-GFCCVEGCSA-N 355.207 3.217 30 50 FGEA CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2 4436178 VQUOSAMBRWCSJH-INIZCTEOSA-N 356.451 3.421 30 50 FGEA COc1ccc(/C=N/OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC 100626559 NIPMSDJZBJJBEX-OAOKJSIISA-N 374.481 3.482 30 50 FGEA C=CCN(Cc1cccc(OCC)c1)C(=O)c1ccc(S(C)(=O)=O)cc1 55284265 WSFZTWOYMNEDNL-UHFFFAOYSA-N 373.474 3.317 30 50 FGEA Cc1cc(CN2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)on1 136898215 NQJQAEVWJGSOGU-UHFFFAOYSA-N 350.344 3.196 30 50 FGEA Cc1cccc(/C(N)=N/OC(=O)COc2ccc(Br)cc2)c1 5092856 VGJBGCKEHXIJDT-UHFFFAOYSA-N 363.211 3.000 30 50 FGEA Cc1nnc2ccc(N/N=C/c3cccc(OCc4ccccc4)c3)nn12 4593345 SHVFKMZYRNDAKU-FYJGNVAPSA-N 358.405 3.458 30 50 FGEA Cc1ccc(S(=O)(=O)N(CCC#N)C2CCCCC2)c2nsnc12 2024613 MSRWMOMLKGFYJL-UHFFFAOYSA-N 364.496 3.237 30 50 FGEA COc1ccc2nc(N/N=C3/C(=O)N(c4ccccc4)N=C3C)sc2c1 100398810 FPVOTARLUFVLOW-CAPFRKAQSA-N 365.418 3.496 30 50 FGEA CN(C)C(=O)c1ccc([C@@H]2CCCN2Cc2ccc(C#CCO)s2)s1 20774153 QZKCJNOWAPEBGM-INIZCTEOSA-N 374.531 3.192 30 50 FGEA Cc1ccc(N=C(O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)cn1 328628628 HKGGLFRPHOMXQM-IBGZPJMESA-N 353.470 3.317 30 50 FGEA C=CCc1cc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)ccc1OC 223634311 FHRITSKYUOUCAP-NRFANRHFSA-N 366.461 3.405 30 50 FGEA COc1ccc([C@@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 102719811 NIQNGEJIBOTJBP-GIYDNNGJSA-N 362.389 3.204 30 50 FGEA Cc1cccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1C#N 190395425 KNVZPNXOWBEDMD-CQSZACIVSA-N 360.401 3.466 30 50 FGEA CCSc1nnc(/N=C(\O)NC(C(F)(F)F)C(F)(F)F)s1 9357734 WIWCUOOKIIZFAQ-UHFFFAOYSA-N 354.301 3.278 30 50 FGEA biogenic CCCC(=O)N1CCc2nc(N)c(C#N)c(-c3cc(F)ccc3OC)c2C1 72121630 WNZYORCFRNKJEB-UHFFFAOYSA-N 368.412 3.035 30 50 FGEA COc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(OC)c1 1196600 CWIDWLXEKYNXFI-UFFVCSGVSA-N 369.446 3.236 30 50 FGEA C#C[C@@H](NC(=O)Nc1ccc2ccc(=O)n(C)c2c1)[C@H]1CCc2ccccc21 1875341463 UNAAVTMTWAFLRN-VQTJNVASSA-N 371.440 3.392 30 50 FGEA Cc1ccc(C#N)c(N2Cc3nnc(CCc4ccccc4)n3[C@@H](C)C2)n1 2356156053 UAQIFMCPVYGFSQ-INIZCTEOSA-N 358.449 3.220 30 50 FGEA COc1ccc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 3898899 RMECANYXYISPHI-LICLKQGHSA-N 360.326 3.356 30 50 FGEA O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 4488918 FRCMUJUWUASRDP-QWHCGFSZSA-N 367.426 3.481 30 50 FGEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2cccc(OC)c2)cc1 6876100 SQAFWZVKKUTNHQ-XDHOZWIPSA-N 369.450 3.219 30 50 FGEA C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(F)c1F 133859729 UUPGLKYODUNYHV-CQSZACIVSA-N 370.403 3.429 30 50 FGEA CCN1CCC[C@@H](CN(C)Cc2cc(C#N)cs2)[C@@H]1c1cnn(C)c1 328634308 MOCJRIRSXUNRAX-QFBILLFUSA-N 357.527 3.258 30 50 FGEA CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1C#N 1842330 FBMYKMYQHCBIGU-GOSISDBHSA-N 363.461 3.390 30 50 FGEA investigational CCCCCCCOC(=O)Cn1c(=O)sc2cc([N+](=O)[O-])ccc21 100391047 HVHLPTXCNWHWLF-UHFFFAOYSA-N 352.412 3.485 30 50 FGEA COc1ccccc1C/C(N)=N/OC(=O)COc1ccc2ccccc2c1 5102013 OZSDAMINISVBDB-UHFFFAOYSA-N 364.401 3.285 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)cc1 17889417 SQMKVMCKBPAFLJ-GOSISDBHSA-N 368.433 3.118 30 50 FGEA OCC#Cc1csc(CN2CCc3onc(-c4ccccc4F)c3C2)c1 67910189 IXFUCWWLHSUJMQ-UHFFFAOYSA-N 368.433 3.444 30 50 FGEA CS(=O)(=O)c1c(F)cc(N=C(O)[C@@H]2C[C@@H]2c2cccnc2)cc1F 328590456 CNDFLDUSXNNHCV-VXGBXAGGSA-N 352.362 3.155 30 50 FGEA C[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(C(C)(F)F)cc1 2325793512 XQTJNEWUDLBIPB-NSHDSACASA-N 357.364 3.269 30 50 FGEA COc1ccc(C(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 2529511 SZTFHRRUXWNRAC-UHFFFAOYSA-N 362.405 3.105 30 50 FGEA COc1cc(F)c(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc1OC 67643019 QZWVPAGMIHLIHC-UHFFFAOYSA-N 352.369 3.364 30 50 FGEA C=CCOc1cccc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1 91943801 PEKVUOPVXPYOBQ-JOCHJYFZSA-N 354.494 3.476 30 50 FGEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@H]1CCCC[C@@]1(O3)O[C@H]2c1cccc(F)c1 245329455 ZEXNXFUAFZIXDX-CTMNZFAUSA-N 350.353 3.223 30 50 FGEA CC/N=C(\NCC)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 100517562 MOULLKWMCFPVHE-LBPRGKRZSA-N 374.293 3.344 30 50 FGEA C=CCN(Cc1cccnc1)C(=O)COc1ccc(NC(=O)CC)cc1 65384123 OMXFDGTZIASRDI-UHFFFAOYSA-N 353.422 3.024 30 50 FGEA C[C@@H]1CCN(/C(O)=N/C[C@@H]2CCCS(=O)(=O)C2)CC12CCCCC2 329709198 MWHVXVHGGQNTDT-CVEARBPZSA-N 356.532 3.018 30 50 FGEA CCCN1CCC[C@H](NC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 426527922 OMYQTJGPAGUGKR-IBGZPJMESA-N 354.498 3.128 30 50 FGEA COc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)cc(OC)c1OC 2597687 ILEOBCOYYJFEEG-VXLYETTFSA-N 363.414 3.172 30 50 FGEA N#Cc1cccc(C2(NC(=O)C[C@H]3Cc4ccccc4NC3=O)CCC2)c1 2325780841 SJCXUNLGRWBKFX-QGZVFWFLSA-N 359.429 3.255 30 50 FGEA O=C1C(Nc2ccc(Cl)cc2)=C(N2CCOCC2)C(=O)c2ccccc21 4173238 FXWKDJUKFVXPDB-UHFFFAOYSA-N 368.820 3.375 30 50 FGEA C=C(C)Cn1nc(C)c(CCC(=O)NC[C@H]2CCCN3CCCC[C@@H]23)c1C 230207413 LMHLQTBXEIVBIM-CTNGQTDRSA-N 372.557 3.389 30 50 FGEA biogenic Cc1ccc(CN2CCN(/N=C/c3ccccc3[N+](=O)[O-])CC2)c(C)c1 19791067 UXTCQJTVFRSUHB-KGENOOAVSA-N 352.438 3.363 30 50 FGEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccnc1)c1ccccc1 18091250 ANNGKUMZOWWGCW-SFHVURJKSA-N 357.369 3.260 30 50 FGEA C=CCc1ccc(OC(=O)Cn2c(=O)sc3ccccc32)c(OC)c1 626920 KXELLBJXXKQSKR-UHFFFAOYSA-N 355.415 3.406 30 50 FGEA C#CCSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)n1C 5670023 IDFWJCUNWVMQIL-UHFFFAOYSA-N 357.386 3.174 30 50 FGEA C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 170617637 YOLZZEOTCALJCO-MLGOLLRUSA-N 372.471 3.200 30 50 FGEA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3cc(C#N)ccn3)C1)CC2 1857695634 RQVQMJZVUSHCNZ-NRFANRHFSA-N 363.465 3.231 30 50 FGEA N#Cc1cccc(-c2cc(C(=O)N3CCCc4cc(CCN)ccc43)on2)c1 2325859360 XABHDRGINGJKRY-UHFFFAOYSA-N 372.428 3.307 30 50 FGEA COc1ccc2c(c1)C1(CC1)CN(/C(O)=N/C[C@H]1CCCn3ccnc31)C2 329540119 CTZZZGNYSDWSOW-OAHLLOKOSA-N 366.465 3.231 30 50 FGEA C[C@@H]1C[C@H](c2ccccc2)CN1/C(O)=N/[C@@H]1CCC(O)=N[C@@H]1[C@@H]1CCCO1 329539662 CNVNSEZVAONGSP-RFSOPEBBSA-N 371.481 3.445 30 50 FGEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1cccc(SC)c1)CCN2C 91892719 QSCTZXIIVWVCGW-NRFANRHFSA-N 373.566 3.093 30 50 FGEA CN1CC2(CCN(c3ccc(C#N)cn3)CC2)C[C@@H](c2ccccc2)C1=O 96150127 PTGDRTGFZWLOEZ-IBGZPJMESA-N 360.461 3.186 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccco1)c1ccc(F)cc1 15961963 PNPZDADSFMQDJG-WMLDXEAASA-N 371.364 3.176 30 50 FGEA O=C(C/N=C(/O)CC1CCCC1)N1CCC[C@H](Oc2ncccc2F)C1 330142150 QJBCPBPMSRIVIJ-HNNXBMFYSA-N 363.433 3.127 30 50 FGEA N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)s1 329765323 WWBHFXVTTSNAOV-CHWSQXEVSA-N 358.423 3.222 30 50 FGEA OCC[C@@]1(C/N=C(/O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)CCOC1 328606003 QCJCQSKSXCUULW-SNRMKQJTSA-N 365.857 3.126 30 50 FGEA N#Cc1cc(-c2cccc(C(=O)N3CCCC[C@@H]3CC(N)=O)c2)ccc1F 426429854 SKURMSRNBGPULS-GOSISDBHSA-N 365.408 3.234 30 50 FGEA Cc1ccc(C#N)c(N2CCCN(C(=O)c3c(C)cccc3F)CC2)n1 1772816710 ZJQSFRWKWCJGJT-UHFFFAOYSA-N 352.413 3.062 30 50 FGEA C=C(C)CNc1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 14979506 ZTESXWNRZUAZNZ-SFHVURJKSA-N 353.470 3.351 30 50 FGEA COc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1OC 19773171 QZVQRTFGMGYIQD-JCMHNJIXSA-N 353.466 3.164 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(C(=O)CC=Cc3ccccc3F)C2)nc1 1857532880 SYNLIPUJYDOHBG-QGZVFWFLSA-N 351.381 3.176 30 50 FGEA CN(C/C(O)=N/Cc1ccccc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328648780 USMDWURQJFBYLK-FPOVZHCZSA-N 352.482 3.163 30 50 FGEA CC1(C)CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@H]1[C@@H]1CCCO1 329109559 IZPOMJYKYYAUJG-JSGCOSHPSA-N 353.344 3.002 30 50 FGEA CC(C)[C@H](/C(O)=N/Cc1ccc(C2CCC2)cc1)N1CCCS1(=O)=O 330220779 LBOOFHDXFQRVOX-GOSISDBHSA-N 364.511 3.471 30 50 FGEA C=CCn1c(S)nnc1-c1cccn(Cc2ccc(Cl)cc2)c1=O 15923891 XIWFDQQXVIIRNY-UHFFFAOYSA-N 358.854 3.283 30 50 FGEA Cn1nc([C@H]2CCCOC2)cc1N=C(O)c1ccncc1Br 329869974 ZPVBSCOBWWGFBU-JTQLQIEISA-N 365.231 3.108 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N1CCCCCC1)C2 14532164 KWFVPZDRBWQJRD-GOSISDBHSA-N 370.541 3.429 30 50 FGEA Cc1cc(C)n(CCCNC(=O)CC2=C(c3ccccc3)CCC2=O)n1 670437297 CKHVKQYESVTPRG-UHFFFAOYSA-N 351.450 3.213 30 50 FGEA N#CC1(c2ccccc2)CCN(C2CCN(C(=O)c3ccncc3)CC2)CC1 1506399304 LVTCNDLTMJGGAG-UHFFFAOYSA-N 374.488 3.244 30 50 FGEA C=CCC(C)(C)CN1C[C@@H]2[C@H](CNC(=O)c3ccoc3C)[C@H]3CC[C@]2(C1)O3 1857736237 GOBMWQPEPXZIFV-JZJXAQOMSA-N 372.509 3.400 30 50 FGEA COC(=O)[C@@H]1C(=O)/C(=C\Nc2cccc3ccccc23)C(=O)CC1(C)C 100738700 HEEBOADDVYUCLV-NZHZHZHDSA-N 351.402 3.493 30 50 FGEA C=C(C)Cn1nc(C)c(CCC(=O)NC[C@H]2CCCN3CCCC[C@H]23)c1C 225416424 LMHLQTBXEIVBIM-TZIWHRDSSA-N 372.557 3.389 30 50 FGEA biogenic COc1ccc(/C=N/n2cnnc2SCc2ccc(OC)cc2)cc1 1138705 ILKZEHQQLJGUBO-RGVLZGJSSA-N 354.435 3.470 30 50 FGEA C=CCNC(=O)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 12587433 OPTJJDWJMYMEIM-INIZCTEOSA-N 363.452 3.394 30 50 FGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2oc(C)nc2C)C1 1857737258 DAGBGTNVQYOZON-MRXNPFEDSA-N 369.421 3.103 30 50 FGEA C=C(C)CN(C)Cc1cccc(C(=O)Nc2nnc(C(F)(F)F)o2)c1 67947783 OPFRKXZRKQMPEL-UHFFFAOYSA-N 354.332 3.349 30 50 FGEA N#Cc1ccc(-n2cccc2CN2CCC[C@H](CN3CCCC3=O)C2)cc1 71405577 VDCIZYSFHLYYLL-IBGZPJMESA-N 362.477 3.183 30 50 FGEA C=C(C)CN(C)c1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 15071022 BWVHQIGSSRLVLP-IBGZPJMESA-N 367.497 3.375 30 50 FGEA CCN(Cc1noc(C)n1)[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 328625815 DMVRUVZJUPDBGO-LJQANCHMSA-N 353.470 3.126 30 50 FGEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(-c2ccccn2)n[nH]1 97307151 NLTSZRRZJZWIMF-UHFFFAOYSA-N 370.416 3.106 30 50 FGEA C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@H](C#N)C(=O)NC1CC1 170654723 RXTBUFYBEOEFAV-YGRLFVJLSA-N 373.865 3.356 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OC)c1 626915 VQHYQADTSSMTKU-SFHVURJKSA-N 371.433 3.178 30 50 FGEA C=CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 4802193 VKTLTMMZTQGEEL-ZJLQCSDHSA-N 358.463 3.331 30 50 FGEA C=CCN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2[nH]c1=O 55088645 STBKXHQIJQNAAP-UHFFFAOYSA-N 365.408 3.210 30 50 FGEA Cc1cccc2c1OC[C@@H](/N=C(/O)N1CCC(c3ccncc3)CC1)C2 329596222 CASYJRLKUBDAEI-IBGZPJMESA-N 351.450 3.487 30 50 FGEA COc1cccc([C@@H]2O[C@@]34CCCC[C@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1 239432810 WNNKDNBPUPCCPU-XAMWDVODSA-N 362.389 3.204 30 50 FGEA C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C@H]1CC[C@H]2C(=O)C1N=N1 257348752 INKNBLYOCYSZNF-RDNOGQQASA-N 356.466 3.468 30 50 FGEA N#CC1(c2ccccc2)CCN(C(=O)c2nnc(O)c3ccccc23)CC1 952962713 HYBXXFGBOOHOCZ-UHFFFAOYSA-N 358.401 3.033 30 50 FGEA O/C(=N/Cc1nc2ccccc2n1C1CC1)N1CCOCC2(CCC2)C1 329444302 CBVVJKPLVDMPLA-UHFFFAOYSA-N 354.454 3.288 30 50 FGEA C#CCN(Cc1ccccc1Cl)C(=O)CSc1nnc(C)s1 55165722 XGLVYXWZDRRABR-UHFFFAOYSA-N 351.884 3.254 30 50 FGEA Cc1ccc(N=C(O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)nc1 328631732 KVBTZQXAMCUAPC-INIZCTEOSA-N 368.485 3.363 30 50 FGEA C=CCn1c(=O)c2ccccc2n2c(SCc3oc(C)nc3C)nnc12 240423751 FQNHOWURODWIBS-UHFFFAOYSA-N 367.434 3.127 30 50 FGEA C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3cccc(OC)n3)cc2)C[C@H]1C 426394750 WAZSENLHSMVNIR-IAGOWNOFSA-N 365.477 3.478 30 50 FGEA N#Cc1cccc(C2CCN(C(=O)c3cnc(-c4cccnc4)nc3)CC2)c1 97759248 LPQBDWJRGJVVSO-UHFFFAOYSA-N 369.428 3.430 30 50 FGEA COC(=O)[C@H]1CCC(B2OC(C)(C)C(C)(C)O2)=CN1C(=O)OC(C)(C)C 1857780677 CKHOMPJCXITAFK-CYBMUJFWSA-N 367.251 3.074 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)COc2cccc(C(=O)OCC)c2)N=N1 2325901113 UMSLWSCXSINWEB-HNNXBMFYSA-N 371.437 3.103 30 50 FGEA C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 4756642 MGZSGSPNZKDBES-UHFFFAOYSA-N 364.854 3.365 30 50 FGEA CC(=O)ON1C(C)(C)CC(OS(=O)(=O)c2ccc(C)cc2)CC1(C)C 4577636 YRRFAUOTBGYICU-UHFFFAOYSA-N 369.483 3.200 30 50 FGEA Cc1cc(C)c(CN2CCC(C)(C#N)CC2)cc1CN1CCN(C)CC1 215656402 BLIUQCFMUWBQQA-UHFFFAOYSA-N 354.542 3.177 30 50 FGEA Cc1oc(C#N)cc1C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 280519105 FOKOZYROHNUXTQ-UHFFFAOYSA-N 372.494 3.172 30 50 FGEA COc1cc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)ccc1O 19834005 OMYBLGUPUNQSCB-HYARGMPZSA-N 353.466 3.169 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 19925212 PICCUHFXOBODDU-KRWDZBQOSA-N 370.405 3.372 30 50 FGEA C=CC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1875382769 QCNGSPRRZXXRGY-GFCCVEGCSA-N 357.479 3.108 30 50 FGEA O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)c2ccccc21 1127024 VVCXACYNOIORRL-UHFFFAOYSA-N 352.821 3.338 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 6813182 AUNYXGNMNOUYBH-GOSISDBHSA-N 351.402 3.220 30 50 FGEA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](C)c1nc[nH]n1 328602785 CYSKMQVNYBQARE-KEYYUXOJSA-N 366.425 3.094 30 50 FGEA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)n3cc([N+](=O)[O-])cn3)c2C#N)C1 2761495 XCOPCYIKPPYYMW-GHMZBOCLSA-N 373.438 3.439 30 50 FGEA O/C(=N/[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCn2cncc2C1 329256318 XOJXJCKGJRUDGS-CHWSQXEVSA-N 362.836 3.473 30 50 FGEA Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1[N+](=O)[O-])CCCC3 1227740 SZASMAMTIJHDAW-VXLYETTFSA-N 368.418 3.436 30 50 FGEA CCc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(OC)nc1 71779987 QIAYRTJYPUCHDC-LBPRGKRZSA-N 367.453 3.236 30 50 FGEA CCN1CCN(C(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)[C@@H](C)C1=O 426382689 LJHHXAAOCWWCBN-AWEZNQCLSA-N 365.408 3.057 30 50 FGEA C/C(=N\N=c1\[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(O)cc1O 5909619 IMPDYPRXIGYIRT-VXLYETTFSA-N 370.390 3.388 30 50 FGEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)cc1OC 18060730 HHKDAWVABKVBJR-IBGZPJMESA-N 367.401 3.188 30 50 FGEA CCCCCC(=O)/C=C\[C@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O 100015717 YRTJDWROBKPZNV-SQOHUUSBSA-N 350.455 3.459 30 50 FGEA in-vitro C=CCc1cc(CN2CCC(Cc3nncn3C)CC2)cc(OC)c1OC 55098891 IZMWXWGAEKZJKS-UHFFFAOYSA-N 370.497 3.016 30 50 FGEA C=CCC1(CC=C)CCCN1C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 55211149 DKBTUZFZNAPNFC-UHFFFAOYSA-N 362.495 3.078 30 50 FGEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)CC[C@@H]1CCCN(C)C1 95381130 PLKAAHVASIUMIH-INIZCTEOSA-N 352.482 3.129 30 50 FGEA CC(C)(O)C#Cc1cccc(C(=O)NCCOc2cccc3cccnc23)c1 670448425 WXFRWLVDPSEJEE-UHFFFAOYSA-N 374.440 3.166 30 50 FGEA N#Cc1cnc(N2C[C@]34CCCC[C@@]3(CN(Cc3ccccc3)C4)C2)cn1 1875347126 ICWXFLWMSSUVQV-FGZHOGPDSA-N 359.477 3.231 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(O)c(N3CC(C)(C)C3=O)c2)N=N1 1875322526 VUCNZJBGOVYIPB-UHFFFAOYSA-N 354.410 3.059 30 50 FGEA CCCSC1=N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)S1 4913064 SWKAQMZPVRFBGK-WTKPLQERSA-N 352.393 3.437 30 50 FGEA COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C#CC(C)(C)O)o2)c(OC)c1 952964646 MWAOBNAELFUXHI-CQSZACIVSA-N 371.433 3.252 30 50 FGEA C=C(C)[C@H](N[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 187772942 QCSRALQZUJMPRS-XIKOKIGWSA-N 373.403 3.298 30 50 FGEA N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 169689778 VOSIPQAIPKUIDN-DPDCMNJDSA-N 356.447 3.350 30 50 FGEA Cc1ncc(/C(O)=N/C2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)[nH]1 328764880 GPCKNESQKNSHTC-CYBMUJFWSA-N 359.430 3.159 30 50 FGEA CC[C@@H](C(O)=Nc1cnc2c(Br)cccn12)N1CCCC1=O 329170810 KETAANRWZXWZIZ-NSHDSACASA-N 365.231 3.086 30 50 FGEA O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@H]1n1nnc([N+](=O)[O-])n1 1079215 HRIMPJVBIURDQV-CZUORRHYSA-N 367.390 3.024 30 50 FGEA aggregator Cn1ccnc1N1CCC(/N=C(/O)[C@@H]2CCCN2c2ccccc2)CC1 328714503 DDQMKWXUFJUQHO-SFHVURJKSA-N 353.470 3.014 30 50 FGEA O/C(=N/C1[C@H]2CC[C@H]1Cc1ccccc1C2)N1CC[C@@H](O)C12CCCC2 330343810 CGHZMCUUTOKYRI-GBESFXJTSA-N 354.494 3.473 30 50 FGEA N#Cc1cccc(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)n1 82087644 JKTSWFQIRAXFDP-UHFFFAOYSA-N 350.470 3.300 30 50 FGEA CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl 169969318 GUCJCQYMGIIITM-UHFFFAOYSA-N 354.643 3.381 30 50 FGEA in-vitro O=c1c2c3c(sc2ncn1/N=C/c1ccc([N+](=O)[O-])s1)CCCC3 1196166 VVHOYYXCVRNGKR-REZTVBANSA-N 360.420 3.189 30 50 FGEA C=C(C)CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 19372163 HETUHZIXJNDASD-LJQANCHMSA-N 363.505 3.349 30 50 FGEA C#CCCC1(CCC(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)N=N1 2325892170 COYTXRSFWSZRJG-KRWDZBQOSA-N 369.465 3.382 30 50 FGEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1C(=O)O 6007493 HGTGDYZXWQXNSK-VCHYOVAHSA-N 354.391 3.197 30 50 FGEA CC1(C)CC(NC=C2C(=O)CC(c3ccccc3)CC2=O)CC(C)(C)N1 100710698 MGTDNSRIGMPLBX-UHFFFAOYSA-N 354.494 3.485 30 50 FGEA COc1nccc(NCc2cccnc2-n2cnc3ccccc32)c1C#N 67895023 SWSQZSHQUTVIJM-UHFFFAOYSA-N 356.389 3.308 30 50 FGEA CC(=O)O[C@](C)(/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C 22015788 XSCIENSMFWVTIV-BMANGOCTSA-N 352.347 3.269 30 50 FGEA N#Cc1cccc(-c2ccc(C(=O)N[C@H]3CCCN(C(=O)C4CC4)C3)cc2)c1 426538459 UCCJGSZCYNYEKX-NRFANRHFSA-N 373.456 3.356 30 50 FGEA N#CC1(C(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)CCOCC1 299766233 HEIVXTHAXXARDZ-INIZCTEOSA-N 356.401 3.076 30 50 FGEA O=C1N[C@@H](c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C1O 5483625 WKGPHYLJFDDEEM-AWEZNQCLSA-N 358.191 3.315 30 50 FGEA C=CCN(c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 1049362 TUSFHDBLLDIONT-OAHLLOKOSA-N 358.463 3.130 30 50 FGEA C[C@@H](CO)CN(Cc1ccccc1)Cc1ccc(C#CC(C)(C)O)cc1 63845530 VUYLNEMQJWUORX-LJQANCHMSA-N 351.490 3.440 30 50 FGEA COc1ccccc1CN/C(N)=N/[C@@H]1C[C@H]1c1ccc(Br)cc1 262695047 DHYBKUZFDQPUOL-JKSUJKDBSA-N 374.282 3.418 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccccc1Cl)CC2 91255962 RZLBYJPIRCDCNU-UHFFFAOYSA-N 360.885 3.300 30 50 FGEA O=C1C(Cl)=C/C(=N\S(=O)(=O)c2ccccc2)C(Cl)=C1Cl 1232925 NYGGXCHWRJHHCZ-CXUHLZMHSA-N 350.610 3.211 30 50 FGEA C=C(C)CNCc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 12199484 LBHWCDCJTCRXPW-JOCHJYFZSA-N 366.505 3.150 30 50 FGEA Cc1ccc2nc(/N=C(\N)NC(=S)Nc3ccccc3)nc(C)c2c1 17195019 ZILFJNYVTVRBSI-UHFFFAOYSA-N 350.451 3.179 30 50 FGEA C=C(C)COc1ccc(CN2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)cc1OCC 1875251387 DZPNTGVBANFYIW-JZJXAQOMSA-N 373.493 3.012 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 847107 JTWMEZCLGMHEKM-INIZCTEOSA-N 356.309 3.223 30 50 FGEA C[C@H](Sc1nc(=O)n2ncc(C#N)c2[nH]1)c1ccc(Cl)c(Cl)c1 2325863506 LTYPGWVOZSNCQM-ZETCQYMHSA-N 366.233 3.449 30 50 FGEA C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72433129 IGZPQNFFMMKQEF-QFIPXVFZSA-N 369.509 3.415 30 50 FGEA CCn1nc(C)c(S(=O)(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1C 170597448 RTYJGUOGWGCRSG-UHFFFAOYSA-N 366.531 3.297 30 50 FGEA N#Cc1cccc(N2CCCN(C(=O)c3csc4c3CCCC4)CC2)n1 1772814683 NODGTWWMKFIROF-UHFFFAOYSA-N 366.490 3.246 30 50 FGEA O=C(/C=C\c1ccccc1)C[C@@]1(O)C(=O)Nc2ccc(Br)cc21 13425525 UTPAHIYYZUPGHZ-POZKEBTKSA-N 372.218 3.261 30 50 FGEA N#Cc1nccnc1N1C[C@]23CCCC[C@@]2(CN(Cc2ccccc2)C3)C1 1875347196 KLJZWMRTXXQRLX-FGZHOGPDSA-N 359.477 3.231 30 50 FGEA Cc1nnc([C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)[C@H]2C)o1 886088840 YHGUYQZTCSEPTA-CABZTGNLSA-N 351.332 3.436 30 50 FGEA COc1cccc(N(CCC#N)S(=O)(=O)c2cnc(C3CC3)s2)c1 888101697 LOYFUZIBVNNECO-UHFFFAOYSA-N 363.464 3.138 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 3001665 OJGFAIPQJFJDKP-MRXNPFEDSA-N 371.433 3.186 30 50 FGEA C=C(C)CN(CC)Cc1cc(I)c(O)c(OC)c1 4988072 PDFQWIKHDDFSOM-UHFFFAOYSA-N 361.223 3.403 30 50 FGEA CC/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC 100733408 JSCQQZUIHMITGK-FTRNENOISA-N 373.400 3.374 30 50 FGEA COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 105208426 RYZDYIKCAYCJEZ-INBQIAFDSA-N 372.424 3.380 30 50 FGEA Cc1ccc([C@@H]2C[C@H](C)N(/C(O)=N/C[C@H]3CCCCS3(=O)=O)C2)cc1 330248751 ZMMTYGJTXOKIDC-CGTJXYLNSA-N 364.511 3.054 30 50 FGEA O/C(=N/C1CCN(c2nccs2)CC1)N1CCOC[C@@H]1c1ccccc1 329792630 AJPLRVYRLBLYBT-QGZVFWFLSA-N 372.494 3.099 30 50 FGEA N#Cc1cccc(N2CCC[C@H](c3nn(-c4ccccc4)cc3C(=N)O)C2)n1 328604296 JHJVBMMQMUAHPL-HNNXBMFYSA-N 372.432 3.406 30 50 FGEA C=C(C)COc1ccccc1NC(=O)N[C@@H]1CCCN(c2cnccn2)C1 299793107 JWMPUUQYRZAVEP-MRXNPFEDSA-N 367.453 3.222 30 50 FGEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OCc1ccccc1 169856449 PBHDAXIPBGMAKU-UHFFFAOYSA-N 368.238 3.351 30 50 FGEA C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(C(C)(F)F)cc1 2325793511 XQTJNEWUDLBIPB-LLVKDONJSA-N 357.364 3.269 30 50 FGEA COc1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1OC 637588 QQRHDVBTZSKFIJ-UHFFFAOYSA-N 373.372 3.024 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccn1 6731207 FGVIKBXEFLQJTD-UHFFFAOYSA-N 357.483 3.067 30 50 FGEA CC1CCN(C(=O)COc2ccc(CN3CCC(C)(C#N)CC3)cc2)CC1 215050696 SSAFSXCTOVXMNZ-UHFFFAOYSA-N 369.509 3.450 30 50 FGEA N#Cc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)c1 72433299 PTLGHDVCRIAFGV-VQTJNVASSA-N 360.461 3.013 30 50 FGEA CC1(C)CCC[C@](C)(C#CCN2CCN(C(=O)c3ccccc3)CC2)O1 19933770 HOOAGDNYLVYJDB-JOCHJYFZSA-N 354.494 3.186 30 50 FGEA COc1ccc(NC(=O)N2CCCC[C@@H]2CCn2cccn2)cc1C#N 96131620 INIWMJHZDGLTSS-QGZVFWFLSA-N 353.426 3.240 30 50 FGEA N#Cc1c(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccn12 302190352 QSOMFMJAAYCTDP-CYBMUJFWSA-N 373.338 3.277 30 50 FGEA N#Cc1c[nH]c2ccc(C(=O)N=c3cc(-c4cc(F)cc(F)c4)[nH][nH]3)cc12 2325841190 HSUZIQFNDDIKOA-UHFFFAOYSA-N 363.327 3.382 30 50 FGEA CCOc1ccc(C2=Cc3cc(OC)c(OC)cc3S(=O)(=O)O2)cc1 2931600 QKTQFYGKFHQQFZ-UHFFFAOYSA-N 362.403 3.320 30 50 FGEA CCC(CC)(NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C(N)=O 158159517 GCJKWLLYKTWZGU-UHFFFAOYSA-N 365.433 3.433 30 50 FGEA COc1cccc(C2(/N=C(/O)c3cnc(C)nc3C)CCOCC2)c1F 330189852 VPVYCZCJZJFONU-UHFFFAOYSA-N 359.401 3.252 30 50 FGEA COc1ccccc1[C@@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 136630670 SQOKEPRIYFHPFR-WOUAJJJCSA-N 362.389 3.204 30 50 FGEA C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCCCC)cc1 4949557 ZZVUNYZEVBFLJT-KRWDZBQOSA-N 360.479 3.388 30 50 FGEA CC1(C)OB(c2ccc(C(=O)O)c(OCc3ccccc3)c2)OC1(C)C 170004460 FUZJFVBSJGUGLN-UHFFFAOYSA-N 354.211 3.263 30 50 FGEA Cc1cc(C(=O)N2CSC[C@@H]2/C(O)=N/CCC(C)C)c2n[nH]cc2c1 329238149 PLRBEZHGTAYCQD-OAHLLOKOSA-N 360.483 3.389 30 50 FGEA Cn1cc(CN2CC[C@@H](Oc3ccncc3)C2)c(-c2ccc(C#N)cc2)n1 375905176 NKTBYGRYCVWRQA-HXUWFJFHSA-N 359.433 3.007 30 50 FGEA N/C(=N/c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100313871 DLGXRFXEWKRNRG-CQSZACIVSA-N 359.838 3.352 30 50 FGEA CCc1[nH]c2c(CNC(=O)c3cc(C#N)c(O)nc3C)cc(F)cc2c1C 71753906 XEKHUMUHNWBLSC-UHFFFAOYSA-N 366.396 3.389 30 50 FGEA N#Cc1cccnc1N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72138855 VLZFYNTWYWVZRT-XUVXKRRUSA-N 366.415 3.298 30 50 FGEA Cc1nc2ccc(N=C(O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cn2n1 329107189 PBBLNRHQNRLKCK-OAHLLOKOSA-N 363.421 3.296 30 50 FGEA Cc1ccc(C2(C/N=C(/O)CCN3CCCS3(=O)=O)CCC2)cc1C 329883015 QPAHJCZNVGMTNB-UHFFFAOYSA-N 364.511 3.107 30 50 FGEA O/C(=N/C1[C@H]2CC[C@H]1Cc1ccccc1C2)N1CC[C@H](O)C12CCCC2 330343809 CGHZMCUUTOKYRI-FHWLQOOXSA-N 354.494 3.473 30 50 FGEA COc1cc(C=Nn2c(S)nnc2-c2ccccc2)ccc1OC(C)=O 252429463 RETZQFUXBHVORD-UHFFFAOYSA-N 368.418 3.050 30 50 FGEA C=CCOc1c(OC)cc(Cl)cc1[C@@H]1NC(=O)NC(C)=C1C(C)=O 4196878 LMLLECZVAKTFIB-HNNXBMFYSA-N 350.802 3.130 30 50 FGEA N#Cc1cc(S(=O)(=O)N2CCCc3occc3C2)ccc1C(F)(F)F 329343412 SZXDELFPRMUSLD-UHFFFAOYSA-N 370.352 3.307 30 50 FGEA Cc1c(CN2CCC([C@@H](O)CCc3ccccc3)CC2)cc(C#N)n1C 72420152 YPADNHYKGANBRW-QFIPXVFZSA-N 351.494 3.411 30 50 FGEA COCCN1CCC(c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)CC1 71730234 TUNNZNQULFCCEI-UHFFFAOYSA-N 366.465 3.042 30 50 FGEA N#Cc1cc2c(nc1N1CCN(c3ccc(Cl)cn3)CC1)CCCC2 301857589 CMDZYLUVQCSXAB-UHFFFAOYSA-N 353.857 3.207 30 50 FGEA C#CCCC1(CCC(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)N=N1 952881579 PXVXIGLCIKPUMC-UHFFFAOYSA-N 360.408 3.359 30 50 FGEA CC(C)(C)NS(=O)(=O)C1(CNc2ccc(Cl)cc2C#N)CCC1 2325861043 CXGASDCRJCPHNM-UHFFFAOYSA-N 355.891 3.264 30 50 FGEA C#CCCC1(CCC(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)N=N1 2325892118 ABSLPAKSMZTFCV-IBGZPJMESA-N 369.465 3.354 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc3c(c2)[C@@H](CC(=O)O)CCC3)N=N1 2325900790 JFIDAPRBKPXIOR-OAHLLOKOSA-N 353.422 3.277 30 50 FGEA Cc1nc2ncccn2c1C(=O)N(CC#Cc1ccccc1)C1CCCC1 55568807 WGPPNPLKTCNUPQ-UHFFFAOYSA-N 358.445 3.474 30 50 FGEA C[C@](C#N)(NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)C1CC1 249503975 FBFGSQSFTYXCBD-HNAYVOBHSA-N 354.479 3.242 30 50 FGEA CC1(C)OB(c2ccc(NC(=O)C3CCCCC3)c(C(=O)O)c2)OC1(C)C 170004377 GVBJYOXJLJFVFD-UHFFFAOYSA-N 373.258 3.203 30 50 FGEA C=CCNC(=O)CSc1nnc([C@H]2C[C@H]2c2ccc(C)cc2)n1CC 2793355 YQBWSZDPVBWEHZ-HOTGVXAUSA-N 356.495 3.272 30 50 FGEA Cc1c(NS(=O)(=O)c2ccc(CC#N)cc2)cnn1-c1ccccc1F 152623965 ULLYCDPIYGNIJJ-UHFFFAOYSA-N 370.409 3.187 30 50 FGEA N/C(=N\OC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccn1 4685094 PNQCPIOPGWASOW-UHFFFAOYSA-N 368.220 3.411 30 50 FGEA Cc1ccccc1C1(/C(O)=N/C[C@@H]2CCn3ncc(C(=N)O)c3C2)CC1 328607488 WCHVHSAMBFMYBW-CQSZACIVSA-N 352.438 3.326 30 50 FGEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NC1CCCCCCC1)C2 14748323 QYYBSJNYIRGDKM-KRWDZBQOSA-N 358.530 3.331 30 50 FGEA NC(=S)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2529612 CIOASUBFRQHZBD-UFWORHAWSA-N 368.245 3.380 30 50 FGEA CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1c(C#N)cnn1C 11907415 ZNNGQBPVUDQHCW-OAHLLOKOSA-N 351.435 3.349 30 50 FGEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccnc2)cc1 18240731 YXDRGWOHEHDGDY-JXFKEZNVSA-N 357.417 3.397 30 50 FGEA CN(CCN1CCOCC1)CCC(C#N)(c1ccccc1)c1ccccc1 193049398 GDANPIXYOBZZKN-UHFFFAOYSA-N 363.505 3.150 30 50 FGEA CC(C)(O)C#Cc1ccc(-c2cn(Cc3c(F)cccc3F)nn2)s1 92037627 QXHXFMNWAMFUIG-UHFFFAOYSA-N 359.401 3.456 30 50 FGEA Cc1cc(C)n([C@@H]2CCN(C(=O)CC3=C(c4ccccc4)CCC3=O)C2)n1 952987480 JTIMDNGGDKTGAX-GOSISDBHSA-N 363.461 3.480 30 50 FGEA N#Cc1cccc(Cl)c1N1CCC(C(=O)NCCCN2CCCC2)CC1 301352955 JNTFUBRSXLOQEV-UHFFFAOYSA-N 374.916 3.030 30 50 FGEA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1ccc(C#N)cn1)CC2 275751019 QFGURVQQLZOLQK-GOSISDBHSA-N 366.490 3.422 30 50 FGEA COc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1 15659437 UETAXJXXXVAPCU-JCMHNJIXSA-N 353.466 3.164 30 50 FGEA C=CCNC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19831864 VPIMVLWWHONAGS-UHFFFAOYSA-N 351.519 3.454 30 50 FGEA Cc1ncc(/C(O)=N/C2(c3noc([C@H]4CCOC4)n3)CCCCCC2)[nH]1 328764881 GPCKNESQKNSHTC-ZDUSSCGKSA-N 359.430 3.159 30 50 FGEA N#Cc1cc(O)cc(C(=O)N[C@@]2(Cc3cccc(Cl)c3)CCOC2)c1 1875331901 YTSNTEADDZAWCA-LJQANCHMSA-N 356.809 3.049 30 50 FGEA Cc1ncn(-c2ccc(NC(=O)[C@@]3(C#N)CC34CCOCC4)cc2)c1C 2325767752 RDNYJNYDYALZKK-FQEVSTJZSA-N 350.422 3.138 30 50 FGEA CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)c1csc(N)n1 4336734 KLPOWIWYUYVXQW-NHDPSOOVSA-N 358.345 3.123 30 50 FGEA CC(C)(C)OC(=O)N1CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 169747637 FEZPAKAAFAMGRA-UHFFFAOYSA-N 361.247 3.120 30 50 FGEA in-vitro Cc1nn(CC(=O)O/N=C/c2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 1176079 OMGBRLDDHRTNJJ-UBKPWBPPSA-N 371.180 3.292 30 50 FGEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2)cc1OC 1475991 MDJDPWJJSNXEKV-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 19300855 RNEWXZZWHLZGDL-QGZVFWFLSA-N 370.405 3.372 30 50 FGEA C#CCCC1(CCC(=O)N2CCCC[C@H]2c2ccc(C(=O)O)n2C)N=N1 2325885781 SKDXTSWMNFLMJP-HNNXBMFYSA-N 356.426 3.133 30 50 FGEA C=CCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12 2107811 OQYIFUJVARXONH-UHFFFAOYSA-N 358.348 3.258 30 50 FGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2ccc3c(c2)CCCO3)cn1 330286324 AIXLQDAXLKERCI-PKOBYXMFSA-N 370.453 3.474 30 50 FGEA Cc1ncc(-c2cc(-c3cnn(-c4ccc(F)cc4)c3)nc(N)c2C#N)n1C 71776618 QDZFQXDYNMOSGB-UHFFFAOYSA-N 373.395 3.236 30 50 FGEA CCSC1(SCC)N=C(N)[C@]2(C#N)[C@H](c3ccc(F)cc3)[C@@]12C#N 195432534 JHXWOSNCSXBZOP-CWRNSKLLSA-N 360.483 3.474 30 50 FGEA CCN(C(=O)c1ccc(-c2ccc(C#N)c(Cl)c2)cc1)[C@H]1COC[C@@H]1O 426722727 WSRGZVJTVWCOTH-OALUTQOASA-N 370.836 3.100 30 50 FGEA CCOc1ccc(NC(=O)N(CC)C[C@H](O)c2cccc(O)c2)cc1C#N 299767195 HEWFVLRARPVRBF-SFHVURJKSA-N 369.421 3.250 30 50 FGEA CCC#CCN1C[C@H]2CN(C(=O)CSC)C[C@]2(CCc2ccccc2)C1 1772705102 OZWFXPYDTWLLIM-UNMCSNQZSA-N 370.562 3.156 30 50 FGEA CN1C(=O)C[C@H](C(=O)O)S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 100083242 OTDZQKKIVGYXEF-HKRHVWLRSA-N 366.748 3.395 30 50 FGEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1OC 1066042 MTEJYMAWMXWQGM-SFHVURJKSA-N 371.364 3.332 30 50 FGEA Cc1nc(/C(N)=N/OC(=O)c2sc3cccc(Cl)c3c2Cl)no1 16363298 HHZKHJHWXQLCTR-UHFFFAOYSA-N 371.205 3.377 30 50 FGEA CCOC(=O)c1cnc(N=C(O)N2CCC[C@@H]2c2ccccc2C)n1C 328595971 MBERRTSPVKPSPS-OAHLLOKOSA-N 356.426 3.288 30 50 FGEA C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]2O 85636533 NUUWPMNNBHROPI-ASAQZKIWSA-N 374.477 3.156 30 50 FGEA biogenic COc1cc(/C=N/n2c(-c3ccco3)n[nH]c2=S)cc(OC)c1OC 1288664 CQMCWIUMHVEGIZ-RQZCQDPDSA-N 360.395 3.109 30 50 FGEA C=CCNC(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 12587426 OPTJJDWJMYMEIM-MRXNPFEDSA-N 363.452 3.394 30 50 FGEA COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 18129240 BMWBLUFEXOWLAO-QGZVFWFLSA-N 368.345 3.092 30 50 FGEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)Nc1ccc(F)cn1 328631232 QQJZPLFAGATAGZ-SECBINFHSA-N 357.311 3.025 30 50 FGEA O/C(=N/CCn1cc(Br)cn1)N1CCCC12CCCCC2 329272525 AESKBVFQDIOXGC-UHFFFAOYSA-N 355.280 3.358 30 50 FGEA C[C@H](C1CC1)n1nc(CS(C)(=O)=O)nc1-c1cccc(C#CC2CC2)c1 1875348606 WOZJSJQCBDRNFP-CQSZACIVSA-N 369.490 3.222 30 50 FGEA Cc1ccccc1C[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)NC1=O 4828071 XJSBKUHFHZBTAU-YDDPGSGASA-N 368.418 3.067 30 50 FGEA N#Cc1c(N)nc2c(c1-c1cccc3ncccc13)CN(C(=O)C1CC1)CC2 72140160 SNGSBDPDDWEKTJ-UHFFFAOYSA-N 369.428 3.045 30 50 FGEA COc1ccc([C@H](C)/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)cc1 328649331 UZCZTZIDCIFKRR-IGEOTXOUSA-N 360.454 3.083 30 50 FGEA CCN1CCC(CC(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)CC1 95358514 QLGROWNWGOBQDC-UHFFFAOYSA-N 352.482 3.129 30 50 FGEA CN(C)N1C(=O)C[C@H](c2cc(Br)cs2)C2=C1CCCC2=O 4721691 LFCRZVYAFRMRPZ-SNVBAGLBSA-N 369.284 3.310 30 50 FGEA CC(F)(F)c1nccc(N2CCOC(C(F)(F)F)(C(F)(F)F)C2)n1 2325796346 KMOQXZRZISHIFF-UHFFFAOYSA-N 365.224 3.288 30 50 FGEA C=CCOC(=O)Nc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1C 2289284 ONHPIOKYYULPFO-HNNXBMFYSA-N 361.316 3.043 30 50 FGEA C=CCn1c(S)nnc1-c1cccn(Cc2cccc(Cl)c2)c1=O 5624820 KTJHSPNDWFEPTP-UHFFFAOYSA-N 358.854 3.283 30 50 FGEA OC(CN1CC[C@H](n2ncc3ccccc32)C1)=N/C(O)=N/C1CCCCC1 329361350 YLFHFKGERQQELA-KRWDZBQOSA-N 369.469 3.486 30 50 FGEA Cc1noc(-c2ccc(-c3ccc(C(=O)N4CCC[C@H](C#N)C4)cc3)nc2)n1 426596430 DRHFTBRCDDHDIQ-OAHLLOKOSA-N 373.416 3.483 30 50 FGEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(N(C)C)cc2)cc1 239235898 WYDGWUZTZPVRID-UHFFFAOYSA-N 353.451 3.191 30 50 FGEA Cn1cc(C#N)cc1C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 670436165 PKSYFCWAWJCIRS-FQEVSTJZSA-N 350.466 3.244 30 50 FGEA COc1cc(/C=N/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1884548 NRLPBCQKCONEQI-RGVLZGJSSA-N 361.394 3.489 30 50 FGEA C=CCOc1c(Cl)cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1Cl 4197171 WWSIUHQCLJUGPB-CYBMUJFWSA-N 371.220 3.359 30 50 FGEA C=CCN1C[C@@H](C(=O)N(CC)Cc2cc(Cl)ccc2OC)CCC1=O 55153876 FWGZPCABLWDUCR-AWEZNQCLSA-N 364.873 3.122 30 50 FGEA CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 172984694 PMCXIKLQHMOAAG-UHFFFAOYSA-N 363.870 3.098 30 50 FGEA N#Cc1ccnc(N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)c1 426372099 OMZLXQANLJICDG-NRFANRHFSA-N 352.482 3.352 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](OCc3cccnc3)C2)s1 820608258 IOWROOZQFXJYKL-GOSISDBHSA-N 370.518 3.447 30 50 FGEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 2775771 QDCUAWKINXNOQS-GOSISDBHSA-N 361.463 3.296 30 50 FGEA COc1ccccc1O[C@H](C)C/N=C(/O)N1CCOC[C@H](C2CCC2)C1 330177370 CYEWWAZSCYMNHZ-NVXWUHKLSA-N 362.470 3.125 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC(Oc3cccnc3)CC2)s1 670458517 FNKBSLJXKIMLJE-UHFFFAOYSA-N 356.491 3.309 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Br)cc1 842105 DGOFIZBKXNJWSR-OAHLLOKOSA-N 373.206 3.333 30 50 FGEA O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1ccc([N+](=O)[O-])cc1 5714024 ITTQNDXXIWGGQG-UHFFFAOYSA-N 354.773 3.481 30 50 FGEA C=CCOc1ccccc1CN1CCC(CCC(=O)NCCOC)CC1 14971311 IVJYZIQFLMZNOJ-UHFFFAOYSA-N 360.498 3.006 30 50 FGEA Cc1nc2c(o1)CCC[C@H]2CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 1875274217 UVYIVLCEECWCDQ-HNNXBMFYSA-N 361.405 3.489 30 50 FGEA C#CCCC1(CCC(=O)NCc2cc3c(cc2OCC)C[C@@H](C)O3)N=N1 2325891905 BBSLMBXSPTYDJY-CQSZACIVSA-N 355.438 3.381 30 50 FGEA C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCCCC 2520852 CDRWOCWMGUBVGN-UHFFFAOYSA-N 361.490 3.162 30 50 FGEA C/C(O)=N/[C@H](C)C1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 328605609 ODQSKNZGEAAYRV-IBZMOEQTSA-N 356.466 3.330 30 50 FGEA C[C@]1(N/C(O)=N/[C@H]2CCOC3(CCOCC3)C2)CCCc2ccccc21 329650537 JYYMIGXRUUHEHV-PXNSSMCTSA-N 358.482 3.470 30 50 FGEA N#Cc1ccccc1N1CCN(C(=O)CCCCc2ccccc2)CC1=O 82115847 VPELTTXRDCHPAS-UHFFFAOYSA-N 361.445 3.146 30 50 FGEA N#CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)CCOCC1 299756834 GJNBBFSNQZKWMB-IBGZPJMESA-N 355.482 3.040 30 50 FGEA CC1(C)OB(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)OC1(C)C 200313925 QNWOZJJNLQZZFI-UHFFFAOYSA-N 370.098 3.298 30 50 FGEA CCc1ncsc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328637598 WBIXDFHLRUZUGJ-SECBINFHSA-N 358.389 3.488 30 50 FGEA COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1066129 IEUBWYGYCXJKLI-KRWDZBQOSA-N 368.345 3.092 30 50 FGEA Cc1cccc2c(N3CCC(n4ncc5c4CNC5)CC3)c(C#N)cnc12 2325799659 NOBBTAAKQKHSCL-UHFFFAOYSA-N 358.449 3.056 30 50 FGEA C#CCCC1(CCNC(=O)C23CCC(CC2)N3Cc2ccccc2)N=N1 2325891340 ATKVFSDUKJJMCD-UHFFFAOYSA-N 350.466 3.265 30 50 FGEA C=C(C)COc1c(CN2CCC(Oc3ncccn3)CC2)cccc1OC 55361067 OEBKFXLPYMGFAY-UHFFFAOYSA-N 369.465 3.484 30 50 FGEA N#C[C@@H]1N(C(=O)c2cccc([C@H]3CCOC3)c2)CCC[C@@]12CCCCO2 329876205 HPRILICYNCGKNI-ZJOUEHCJSA-N 354.450 3.258 30 50 FGEA Cc1n[nH]c(C)c1N=C(O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 328632223 LEKLOIWONRTBNP-MRXNPFEDSA-N 356.474 3.064 30 50 FGEA CC(C)(C)OC(=O)N[C@H]1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 202424773 KBEVOGLZFVQKOZ-KRWDZBQOSA-N 373.302 3.368 30 50 FGEA CCSC1(SCC)N=C(N)[C@]2(C#N)[C@H](c3ccc(F)cc3)[C@]12C#N 169301416 JHXWOSNCSXBZOP-BPUTZDHNSA-N 360.483 3.474 30 50 FGEA N/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 4689620 QUPPYEPFIWLAMR-UHFFFAOYSA-N 354.149 3.379 30 50 FGEA C#CCCC1(CCC(=O)N2CC[C@H](N(C)Cc3ccc(F)c(F)c3)C2)N=N1 2325898607 NUSGBTWWXGXWSF-INIZCTEOSA-N 374.435 3.353 30 50 FGEA C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 1067962 JTFLAVXGKGEXJY-GOSISDBHSA-N 363.417 3.347 30 50 FGEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)/C(O)=N/Cc2ccco2)cs1 328605988 QBNANDDDHMSOPN-ZFWWWQNUSA-N 366.462 3.003 30 50 FGEA N#Cc1c[nH]c2ccc(Cl)cc2c1=NC[C@@H]1CCC2(CCOCC2)[C@H]1O 328661289 AARXVVQSEMBAJN-DJJJIMSYSA-N 371.868 3.161 30 50 FGEA C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597168 JEVSPEIIUKYEQC-GFCCVEGCSA-N 368.466 3.282 30 50 FGEA Cc1cc(C)c(C#N)c(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1857737469 NNZKQRMMAUOLGW-DYESRHJHSA-N 358.445 3.158 30 50 FGEA CC1(C)C(c2ccc(Br)cc2)=[N+]([O-])[C@@]2(CCCCC2=O)N1O 2957895 ZLBZBAUBLPJZRI-INIZCTEOSA-N 367.243 3.071 30 50 FGEA COc1cccc(OC[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)c1 77379234 CLWUQHOQYPQLJA-KRWDZBQOSA-N 350.418 3.498 30 50 FGEA COc1ccc(/C=N/CC/N=C/c2ccc(OC)c(OC)c2)cc1OC 18177138 DTKYRGNIGSLVTA-JFMUQQRKSA-N 356.422 3.259 30 50 FGEA N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)o1 331395234 FVKFZMGVUWNQCK-ZDUSSCGKSA-N 350.827 3.200 30 50 FGEA Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 127340007 DLBVXBDAQBQNJH-RBUKOAKNSA-N 355.388 3.320 30 50 FGEA C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1cc([N+](=O)[O-])cn1 4686781 GUYGNJXJTUOCPQ-JTQLQIEISA-N 359.411 3.193 30 50 FGEA Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2F)no1 6412916 PKUQHXOYVUMVIV-MRXNPFEDSA-N 368.320 3.498 30 50 FGEA C=CCNC(=O)Cc1c2c(n(CCc3ccccc3)c1C)CCCC2=O 12458889 UOOVDCKSKVPENH-UHFFFAOYSA-N 350.462 3.403 30 50 FGEA N#Cc1ccc(F)c(CN2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)c1 952851694 RJDPCTLRQOWJNG-SJORKVTESA-N 351.429 3.318 30 50 FGEA C=C(Cl)CN1CCC(CNC(=O)Cc2ccc3cnccc3c2)CC1 2325867801 GEXUCYIUEKLCBO-UHFFFAOYSA-N 357.885 3.358 30 50 FGEA C=CCn1cc(CNC2CCN(C(=O)Nc3ccccc3)CC2)c(C)n1 55167535 ASSNFOISJKNCNK-UHFFFAOYSA-N 353.470 3.164 30 50 FGEA CCn1cc(CN2CCN(c3nc4ccccc4s3)CC2)cc1C#N 77440485 PFDJABNGYJEXLT-UHFFFAOYSA-N 351.479 3.312 30 50 FGEA COc1ccc(C(=O)[C@H]2CCCN(c3ncccc3C#N)C2)cc1OC 71762415 ZCCVYNDZQVXKIZ-INIZCTEOSA-N 351.406 3.070 30 50 FGEA Cc1cc(C)c(C#N)c(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)n1 95358345 NPSXPTFYDDXPGG-GOSISDBHSA-N 360.461 3.213 30 50 FGEA C=C(C)COc1ccccc1C(=O)N1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 299757163 NIGYSWHIYIRJCN-NBHGPNQESA-N 359.466 3.440 30 50 FGEA CCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O 100060349 JKCMTSPAYIZSGR-UHFFFAOYSA-N 373.367 3.480 30 50 FGEA C=C(C)CN(CC)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 65466156 OXPXPIZEBAJOTG-UHFFFAOYSA-N 361.445 3.488 30 50 FGEA COc1nccc(N2CCC[C@@](CO)(CCOc3ccccc3)C2)c1C#N 71751391 AMBMIUOWHMYBOD-OAQYLSRUSA-N 367.449 3.010 30 50 FGEA COC(=O)c1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 1189949 GQFIKYMLFYTYDM-KGENOOAVSA-N 357.841 3.283 30 50 FGEA Cc1ccc(S(=O)(=O)/N=C(\O)c2cccc(Br)c2)cc1 2843020 SZNJPXZTXHJUJU-UHFFFAOYSA-N 354.225 3.451 30 50 FGEA N#Cc1ccc(N2CC[C@H]3[C@H](CCCN3C(=O)c3ccc(F)s3)C2)nc1 1875280433 JIPOPLFOHLTZLV-CABCVRRESA-N 370.453 3.285 30 50 FGEA N#Cc1cc(-c2ccccc2)c(-c2ccccc2)[nH]c1=NC[C@H]1CNCCO1 2325858411 LVYDWCJFSRHXGK-HXUWFJFHSA-N 370.456 3.109 30 50 FGEA C#CCCC1(CCC(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)OCC)N=N1 2325892744 ZURYRRKNLMMVKW-GFCCVEGCSA-N 374.466 3.420 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(O)c1 628569 JYYPELVLNKVLGT-SFHVURJKSA-N 371.433 3.178 30 50 FGEA Cc1cc(C)c(C#N)c(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1 91575253 JZVYTYNDSLXLFL-NRFANRHFSA-N 352.482 3.189 30 50 FGEA CCn1cc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)cn1 71751165 XRQDSXZZTVPFLH-UHFFFAOYSA-N 352.467 3.209 30 50 FGEA C=CCN(Cc1ccsc1)C(=O)COCc1nc2ccc(F)cc2[nH]1 1506403557 SSIGERADKBDNEO-UHFFFAOYSA-N 359.426 3.495 30 50 FGEA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc(C#N)cc1F)CC2 1857700483 VHYVJXCVPDMTMH-UHFFFAOYSA-N 374.419 3.339 30 50 FGEA CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1c(C#N)cnn1C 11907417 ZNNGQBPVUDQHCW-HNNXBMFYSA-N 351.435 3.349 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)N=N1 2325886136 WKLZLFMFHCDWDX-BBRMVZONSA-N 368.437 3.329 30 50 FGEA CC(=O)N[C@@H](c1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170007625 GJXZIVGYWREDHM-IBGZPJMESA-N 351.255 3.211 30 50 FGEA O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1 1534967 NGNALWDRPKNJGR-UHFFFAOYSA-N 350.418 3.172 30 50 FGEA biogenic,in-vivo CC[C@H]1CN(C(=O)c2ccccc2C#N)CCC(=O)N1Cc1ccccc1 71614204 WQHWRMIWHZMZRK-IBGZPJMESA-N 361.445 3.212 30 50 FGEA CCC(C)(C)c1cc(-c2cnc(N3CCOCC3)s2)c(C#N)c(N)n1 71747556 BLZGBQRPAHPKEL-UHFFFAOYSA-N 357.483 3.183 30 50 FGEA CCc1noc(CN(CC)C(=O)c2ccc(-c3ncccc3C#N)cc2)n1 426632939 VOHHTPSXWDQUCJ-UHFFFAOYSA-N 361.405 3.228 30 50 FGEA CC(=O)OC1CCC(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 254382553 DCFBQXRYZRWTLF-UHFFFAOYSA-N 350.331 3.023 30 50 FGEA C=CC(C)(C)OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 12421371 QZCRPJURQJSVSZ-KRWDZBQOSA-N 352.906 3.113 30 50 FGEA CC1(C)OB(c2cc(Br)cnc2C(F)(F)F)OC1(C)C 169748316 CEKKEAGMIFSVSD-UHFFFAOYSA-N 351.959 3.162 30 50 FGEA N#Cc1ccc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)cc1 261694331 HRRMNLARWYJSIC-GOSISDBHSA-N 351.475 3.404 30 50 FGEA C=C(C)COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 219788894 UWUKMKGYZAJCHC-GQIGUUNPSA-N 352.434 3.279 30 50 FGEA COc1cc(/C=N\NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1O 32654856 IPWCIMLUGPTZDG-UNOMPAQXSA-N 362.451 3.011 30 50 FGEA CCc1ccc(-c2c(C)sc(NC(=O)COCC(=O)O)c2C#N)cc1 17073949 FDXTYMZESZMHFZ-UHFFFAOYSA-N 358.419 3.197 30 50 FGEA C=CCN1CC[C@H](CNC(=O)c2ccc(-c3cc(C)c(C#N)c(C)n3)cc2)C1 584899011 KRUANHCRORYQCQ-GOSISDBHSA-N 374.488 3.475 30 50 FGEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F 19582819 RLPPUNYDLYBSOK-INIZCTEOSA-N 374.437 3.027 30 50 FGEA C=CCn1cc([C@@H]2CC(=O)Nc3cc(NC(=O)c4cccnc4)ccc32)cn1 65395606 VGHQTRBWSIYKCF-SFHVURJKSA-N 373.416 3.191 30 50 FGEA COc1cc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)ccc1O 252429519 YYLUVRKTJKTBQF-UHFFFAOYSA-N 360.826 3.484 30 50 FGEA Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)n2c(nc3ccccc32)c1C#N 169996054 DSWHYWOORHOLIJ-KRWDZBQOSA-N 360.339 3.171 30 50 FGEA COc1ccc(OC)c(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1 1100794 PWXFUUMDAOQZOH-FYJGNVAPSA-N 351.406 3.252 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 8771185 LKHKZVWDEHCSHB-MRXNPFEDSA-N 357.431 3.363 30 50 FGEA C=CCN(Cc1ccccc1OCC)C(=O)[C@H]1CC(=O)OC12CCCC2 55153287 KVCJVHRIXKGFRA-QGZVFWFLSA-N 357.450 3.476 30 50 FGEA COCc1cc(C)nc(SCC(=O)Nc2ccc(CC#N)cc2)c1C#N 1074322 GRYUKAJENDEANK-UHFFFAOYSA-N 366.446 3.205 30 50 FGEA C=CCN1C[C@H](C(=O)NCc2cc(C)cc3c(C)c(CC)[nH]c23)CCC1=O 71775642 VYDPONAGRPPKAE-MRXNPFEDSA-N 367.493 3.388 30 50 FGEA COC[C@@H]1CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 455404264 RBYDKLPVXHGROY-INIZCTEOSA-N 367.453 3.294 30 50 FGEA CN/C(=N\c1ccc(C(C)=O)cc1)SCCNC(=O)c1ccccc1 96026539 BMLPISMHHUUISL-UHFFFAOYSA-N 355.463 3.259 30 50 FGEA Cc1ccccc1-c1nc(C#N)c(N2CCN(CCc3ccccn3)CC2)o1 334162312 MEOSUZROKDFCMJ-UHFFFAOYSA-N 373.460 3.281 30 50 FGEA N#Cc1c(Cl)nsc1NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 170635492 VDKOAUHHKXWBGT-SNVBAGLBSA-N 372.233 3.238 30 50 FGEA C=CCNC(=O)Cc1c2c(n(Cc3ccc(F)cc3)c1C)CCCC2=O 14975928 OVZDHYLQBCPODZ-UHFFFAOYSA-N 354.425 3.348 30 50 FGEA COC(=O)C/N=C(/O)C/N=C(/O)CCCc1cc(Cl)sc1Cl 328592231 UVPQYUXURGYKLR-UHFFFAOYSA-N 367.254 3.464 30 50 FGEA N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CC[C@H](C4CC4)N3)c2)c1 1875315501 XJGOTUNMHFQRCO-WOJBJXKFSA-N 374.444 3.280 30 50 FGEA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C2 895269106 DQZGPDVPOAMALQ-PZPFTHLGSA-N 356.514 3.142 30 50 FGEA c1ccc2c(C3=NNC(=NCc4ccc5c(c4)OCO5)SC3)c[nH]c2c1 2332237323 RZQFBTRIBKXMFL-UHFFFAOYSA-N 364.430 3.493 30 50 FGEA CCOC1=C(Cl)[C@@](O)(C#Cc2ccccc2)C(OCC)=C(Cl)C1=O 3051920 IEDHCKBZGUDHSB-SFHVURJKSA-N 367.228 3.326 30 50 FGEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccc2[N+](=O)[O-])c1 4956252 SDJLJCFKNZATKE-QGZVFWFLSA-N 368.345 3.092 30 50 FGEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 1202870 YEUAQVSDGAKESG-SFQUDFHCSA-N 367.268 3.460 30 50 FGEA Cc1nc2ccc(N=C(O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cn2n1 329107187 PBBLNRHQNRLKCK-HNNXBMFYSA-N 363.421 3.296 30 50 FGEA C[C@@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)C(=O)NC1CC1 170654720 RXTBUFYBEOEFAV-QMTHXVAHSA-N 373.865 3.356 30 50 FGEA C=C(C)Cn1nc(-c2ccccn2)nc1[C@H]1CC[C@@H](OCCC)[C@H](N)C1 1857739314 IFIAUCRQNHIJSB-LZLYRXPVSA-N 355.486 3.306 30 50 FGEA C#CCCC1(CCC(=O)NC[C@@H](c2ccccc2)C2CCNCC2)N=N1 2325900968 PEMLBMGFWRSRFO-IBGZPJMESA-N 352.482 3.242 30 50 FGEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccoc1C 6730003 DWRSWCJWRCOZHG-UHFFFAOYSA-N 353.378 3.475 30 50 FGEA CC1(C)OB(c2cccc(OCc3ccccc3)c2[N+](=O)[O-])OC1(C)C 170005246 COMCFNQNUUUXSJ-UHFFFAOYSA-N 355.199 3.473 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)/C(O)=N/[C@H]1C=CCCC1 328634709 MYEZGKPNOIXZPM-KKUMJFAQSA-N 352.479 3.010 30 50 FGEA Cc1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 1218211 UKPQFOXKMUDPHN-MHWRWJLKSA-N 353.241 3.070 30 50 FGEA COc1cccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(N)=O)n2)c1 804084 PDPBRBBSQVMFJO-UHFFFAOYSA-N 367.352 3.225 30 50 FGEA CC(=O)N[C@H](c1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170007621 GJXZIVGYWREDHM-LJQANCHMSA-N 351.255 3.211 30 50 FGEA CC(C)/N=C(/O)c1cnn2c1C[C@H](C/N=C(/O)CCc1ccccn1)CC2 328605630 OGRJIXXQCBKWAH-OAHLLOKOSA-N 369.469 3.143 30 50 FGEA COCc1cc(C)nc(SCC(=O)Nc2ccccc2C#N)c1C#N 4384502 SAPBNEXNPMLLOX-UHFFFAOYSA-N 352.419 3.011 30 50 FGEA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cnc(O)c(C#N)c3C)[nH]c2c1 72425712 TWOIHYZJWSADMG-KRWDZBQOSA-N 361.405 3.129 30 50 FGEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 215682413 UTMVOVKJEKWRAM-HNNXBMFYSA-N 353.813 3.404 30 50 FGEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1CNC(=O)OC(C)(C)C 719782570 OWYGNJPXACILEK-UHFFFAOYSA-N 365.254 3.458 30 50 FGEA CCOc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)ccc1O 2309853 JWAXWQWVCAYXJJ-UFFVCSGVSA-N 369.446 3.323 30 50 FGEA C=C(C)CNCc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 12199475 LBHWCDCJTCRXPW-QFIPXVFZSA-N 366.505 3.150 30 50 FGEA Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 245650920 DLBVXBDAQBQNJH-OALUTQOASA-N 355.388 3.320 30 50 FGEA Cc1nc(N[C@H]2CCO[C@@H]2c2ccnn2CC2CC2)c(Cl)cc1C#N 886079389 KJNCXZKVGSUAJK-RDJZCZTQSA-N 357.845 3.464 30 50 FGEA C=CCS[C@@H](C)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67774499 OKGMLTCZGLWWJB-AWEZNQCLSA-N 370.474 3.483 30 50 FGEA CCOC(=O)c1csc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1 170006073 AXDJAWVJRPRXFC-UHFFFAOYSA-N 359.256 3.286 30 50 FGEA C=CCN1C(=O)COc2ccc(NC(=O)c3ccccc3OCC)cc21 32593387 DQSQPXXWQDGBKT-UHFFFAOYSA-N 352.390 3.249 30 50 FGEA Cc1oc(C#N)cc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 331760045 AUKUSGLTEAUBCW-JTQLQIEISA-N 352.316 3.221 30 50 FGEA C=C(C)COc1ccc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1OCC 1704331786 UVEMFNBXURUKJL-CEXWTWQISA-N 372.509 3.387 30 50 FGEA C=CCc1ccccc1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 19867473 VJJXLBGKOZOUEN-LJQANCHMSA-N 370.468 3.116 30 50 FGEA O=S(=O)(O[C@H]1CCC[C@H]2CC[C@H]1O2)c1ccc(Br)cc1 101137691 IZAVBPZBIXFOJK-YUTCNCBUSA-N 361.257 3.255 30 50 FGEA COc1cccc(C(=O)/C=C(\O)C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 334163463 TVBBKZHWVLVCQX-ZDLGFXPLSA-N 370.361 3.484 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857740851 PLAMFKLUEYIRGP-QFIPXVFZSA-N 374.444 3.051 30 50 FGEA COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1CCc1ccccc1 707644 HNCCYCPTXKKMBW-IBGZPJMESA-N 351.402 3.222 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc3ccn(CCN(C)C)c3c2)N=N1 2325891977 RWIZFTITTYUMED-UHFFFAOYSA-N 351.454 3.497 30 50 FGEA CC(C)(C#N)c1ccccc1CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 133771547 QCZBBMNQCIFQJV-HSZRJFAPSA-N 373.456 3.467 30 50 FGEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@H]1CCCC[C@@]1(O3)O[C@@H]2c1cccc(F)c1 137848116 ZEXNXFUAFZIXDX-PXHWLCEJSA-N 350.353 3.223 30 50 FGEA C=CCN1CCN(C(=O)c2cccc(-c3ncnc4ccsc34)c2)CC1 426438949 WJTMAFADWLGOPO-UHFFFAOYSA-N 364.474 3.302 30 50 FGEA C=C(C)CNC(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 19224086 OARSGNIKNHAVNN-FQEVSTJZSA-N 355.526 3.055 30 50 FGEA COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1OC 19791228 XGACZNQQTYRTBP-HZHRSRAPSA-N 367.493 3.472 30 50 FGEA C[C@@H]1C(c2cccs2)=[N+]([O-])[C@](C)(C(=O)c2ccc(Cl)cc2)N1O 4314759 WVPQFNVQEYGTEQ-QLJPJBMISA-N 350.827 3.393 30 50 FGEA Cc1nc(N=C(O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)oc1C 328624566 CNJYBPPXXLQLLO-HNNXBMFYSA-N 372.473 3.265 30 50 FGEA C=C(C)CN(CC)C(=O)c1sc2ncnc(N[C@@H]3CCOC3)c2c1C 11815567 QHBSXSSHPUZSPB-CYBMUJFWSA-N 360.483 3.239 30 50 FGEA C=CCN(CC=C)Cc1cc2ccc(Cl)cc2n(CC(=O)OC)c1=O 12571594 FXSNYMVRXXTDEH-UHFFFAOYSA-N 360.841 3.002 30 50 FGEA CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 1126724 SPWRRQZCUBJVJH-FQEVSTJZSA-N 366.461 3.373 30 50 FGEA O/C(=N/CCc1ccc(O)cc1)N1CCCN(CC2CCCCC2)CC1 328827530 SQHHZKWGNOOMJS-UHFFFAOYSA-N 359.514 3.437 30 50 FGEA C[C@H]1C[C@@H]1c1ccc(/C=C/C(O)=Nc2cccc(NC(=O)C(N)=O)c2)o1 328589558 QKDUTVARSIOBJD-SMBUJGDBSA-N 353.378 3.128 30 50 FGEA O=C(ON=C1C[C@@H](NC(=O)C(F)(F)F)c2ccsc21)c1ccco1 252427730 DJDADXMOWFEWMK-MRVPVSSYSA-N 358.297 3.026 30 50 FGEA C[C@@H](N)Cc1cc(C#N)c2c(c1)CCN2CCCOC(=O)c1ccccc1 34044422 SPIYQPPDQNLNDT-MRXNPFEDSA-N 363.461 3.058 30 50 FGEA in-vitro C#CCCC1(CCC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)N=N1 952879343 DHDHTAKCIMGHKF-UHFFFAOYSA-N 354.410 3.116 30 50 FGEA Cc1occc1-c1nnc(SCC(=O)Nc2sccc2C#N)n1C 7236460 SOOKNBVIEPKFOO-UHFFFAOYSA-N 359.436 3.048 30 50 FGEA OC(CN1CC[C@@H](n2ncc3ccccc32)C1)=N/C(O)=N/C1CCCCC1 329361351 YLFHFKGERQQELA-QGZVFWFLSA-N 369.469 3.486 30 50 FGEA C=C(C)COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 219714342 UWUKMKGYZAJCHC-JXXFODFXSA-N 352.434 3.279 30 50 FGEA CCNC(=S)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521982 CKCQAQOKXZNBGA-RGVLZGJSSA-N 361.854 3.377 30 50 FGEA C/C(O)=N/[C@H](C)C1CCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC1 330028244 ODQSKNZGEAAYRV-YMTYPPQLSA-N 356.466 3.330 30 50 FGEA COCc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)ccc1OC 67967578 WUXBYURXNZNTBC-WMLDXEAASA-N 364.449 3.049 30 50 FGEA N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ncc(C(=O)O)cc3Cl)cc2)C1 426394595 LHHFPUTUBHMAEU-LBPRGKRZSA-N 369.808 3.476 30 50 FGEA CC#CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 12052541 LMEGQEQFGQVJRX-OAHLLOKOSA-N 353.447 3.011 30 50 FGEA CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)c(O)c1 19419368 PVHZCSHYFDXMFE-HAVVHWLPSA-N 366.509 3.390 30 50 FGEA COc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1Cl 8844107 HGCQRLDFLLJHCT-UHFFFAOYSA-N 368.824 3.250 30 50 FGEA C=CCNC(=S)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 1902922 ZMZLRPCXKBYNQK-UHFFFAOYSA-N 358.307 3.471 30 50 FGEA CCCCCCCCCCCCNC(=O)CN1CCC[C@H](C(N)=O)C1 100821542 GGSFBZYPHYHMTA-SFHVURJKSA-N 353.551 3.221 30 50 FGEA CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC 100733409 JSCQQZUIHMITGK-PQXWDWFGSA-N 373.400 3.374 30 50 FGEA CCn1cc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)cc1C#N 95372861 FFMWGSFRIANGBY-HXUWFJFHSA-N 362.477 3.018 30 50 FGEA N#CC1(c2ccccc2)CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 92066678 JFIUJPUDMGBDJL-UHFFFAOYSA-N 357.413 3.226 30 50 FGEA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 95358177 XQMZDOJMPOSFIF-HXUWFJFHSA-N 373.456 3.179 30 50 FGEA C=CCN(CC=C)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12580395 OKVDGZWUMISLKY-UHFFFAOYSA-N 364.449 3.469 30 50 FGEA C=CCCCCc1nc(Cn2ccnc2)nn1-c1ccnc2cccnc12 1875331242 WHCUUQMYGVJXQQ-UHFFFAOYSA-N 359.437 3.354 30 50 FGEA Cc1ccc(S(=O)(=O)OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 35287460 GOCADJZGBKCYNV-HNNXBMFYSA-N 369.483 3.347 30 50 FGEA C#CCCCC(=O)N1CCOc2ccc(-c3ccc(C(N)=O)s3)cc21 365237767 FTTYJIXSKBHGJT-UHFFFAOYSA-N 354.431 3.043 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)N=N1 952876511 UITJHPAGXLFGGQ-UHFFFAOYSA-N 353.470 3.041 30 50 FGEA N#Cc1ccccc1-c1ccc(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1 1875399993 OHAJNQWLYGZKGU-SXSPYAJSSA-N 372.472 3.351 30 50 FGEA N#CC1(C2CCC2)CCN(C(=O)c2c(C(F)F)nc3cnccn23)CC1 2325800038 JABSUQRPYZRFNF-UHFFFAOYSA-N 359.380 3.213 30 50 FGEA CC(C)/N=C(/NCCCOCC1CC1)[C@H](C#N)C(=O)Nc1ccccc1F 225504563 VEPCSSMNZQQBSA-INIZCTEOSA-N 374.460 3.117 30 50 FGEA Cn1nc(C(F)(F)F)cc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F 2767938 LHOQTXJPDRUYIC-UHFFFAOYSA-N 359.176 3.387 30 50 FGEA Cc1cc(C)c(C#N)c(-c2cccc(-c3ccn(CCn4cncn4)n3)c2)n1 23581473 ZEOSVGJSRZONJA-UHFFFAOYSA-N 369.432 3.392 30 50 FGEA Cc1cccc(F)c1-n1nc(C(=O)[C@@H](C#N)c2ccncn2)c2c1CCC2 422128268 YYRSZKGFAIUECY-AWEZNQCLSA-N 361.380 3.089 30 50 FGEA Oc1nc(N/N=C/c2ccccc2Br)nnc1-c1ccccc1 15923605 MACQIGSLQNTRBK-VCHYOVAHSA-N 370.210 3.453 30 50 FGEA Cc1onc(CC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c1C#N 331551194 DQRSLVUDSFTWAV-GTNSWQLSSA-N 359.813 3.039 30 50 FGEA CCc1n[nH]c(-c2ccccc2NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1 161085867 CITGMZBBBMGLEK-CYBMUJFWSA-N 361.405 3.312 30 50 FGEA N#CCCN(C[C@@H]1CCOC1)c1nc(-c2cccnc2)nc2ccccc12 1875253072 NBAFEUHCTYZVJG-INIZCTEOSA-N 359.433 3.448 30 50 FGEA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C(=O)O)c2C#N)C1 1875404234 AMFVLUWXGBRYTC-CAWIRYAWSA-N 356.447 3.206 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F 634337 ZLUXIJCYNGYHME-OAHLLOKOSA-N 359.397 3.316 30 50 FGEA C=CCC1(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C)c2)CCOCC1 425247189 XVGLZUMNGMPQTP-UHFFFAOYSA-N 369.421 3.190 30 50 FGEA Cc1cscc1N=C(O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328620603 HCLVBSUNUMSPST-MRXNPFEDSA-N 373.482 3.066 30 50 FGEA Cc1ccc2[nH]c(CN3CCN(Cc4cccc(C#N)c4)CC3)cc(=O)c2c1 91665822 XUVZUCQIKIEHIQ-UHFFFAOYSA-N 372.472 3.026 30 50 FGEA C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(F)cc1 7759409 ONXCTKSSLJLCFQ-UHFFFAOYSA-N 373.409 3.253 30 50 FGEA Cc1ccc(C#N)cc1N1C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)N=C1O 328595472 WACBXFWIQNHTNL-QGZVFWFLSA-N 362.364 3.359 30 50 FGEA COC(=O)c1ccccc1NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 199920740 XPZGMGASWMQGPB-UHFFFAOYSA-N 367.254 3.385 30 50 FGEA C=CCC(O)(CC=C)[C@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1 11878490 ANMFOFBHGNZAEJ-ZDUSSCGKSA-N 361.467 3.119 30 50 FGEA CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 12496286 LOLJEILMPWPILA-AMFHKTBMSA-N 352.471 3.251 30 50 FGEA endogenous,in-man N#Cc1ccc(C(F)(F)F)cc1N1CC[C@@H](C2CC2)[C@@H]1c1nc(O)n[nH]1 1875399765 ITEVBECEWSMKPA-GXTWGEPZSA-N 363.343 3.378 30 50 FGEA Cc1nsc(NC[C@]2(F)C[C@H](NC(=O)[C@H]3CCC[C@H]3C)C2)c1C#N 1875408366 ULMAHMXIUZHIEE-MMPOEDRJSA-N 350.463 3.158 30 50 FGEA CSC1=N/C(=C\c2ccc(I)o2)C(=O)S1 4755307 LKMJPWCJNMDJQM-XQRVVYSFSA-N 351.190 3.218 30 50 FGEA Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)c1 4784411 KUHQNKTZNPHEFZ-JOCHJYFZSA-N 362.429 3.414 30 50 FGEA CN(C)N1C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 1422745 FLCWHIOFYHROJC-AWEZNQCLSA-N 357.410 3.031 30 50 FGEA CN(C)Cc1ccoc1/C(O)=N/C1CCN(C(=O)c2ccccc2F)CC1 328590140 NQNGFJPLTRSSRI-UHFFFAOYSA-N 373.428 3.090 30 50 FGEA C=CCc1cc(CN2CCC(c3nc[nH]n3)CC2)cc(OCC)c1OC 823358232 MNMMNDAZXVVSNA-UHFFFAOYSA-N 356.470 3.320 30 50 FGEA Cc1sc2ncnc(N3CCC(/C(O)=N/Cc4cnc[nH]4)CC3)c2c1C 329697004 CCDBBCKNEIWLST-UHFFFAOYSA-N 370.482 3.404 30 50 FGEA CCOC(=O)[C@@H]1S[C@H](c2ccccc2)[C@H](C#N)[C@@]1(O)c1ccccc1 101632697 ZPRSFVJGPUMQRX-DMUMMCEESA-N 353.443 3.434 30 50 FGEA C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(OC)cc1 9295574 INDSNUROCZHOQS-UHFFFAOYSA-N 372.494 3.244 30 50 FGEA C=CCC1(CC=C)CCCN1C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1 12198442 ABPJAEKTCCVLJK-UHFFFAOYSA-N 353.470 3.398 30 50 FGEA COc1ccc(/C(C)=N\N2CCN(Cc3ccccc3)CC2)cc1OC 19771336 VTEDSZHAUJBTBA-XLNRJJMWSA-N 353.466 3.246 30 50 FGEA CC1(C)OB(c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)OC1(C)C 204123862 OFKMBPZXIVHLOT-UHFFFAOYSA-N 368.164 3.129 30 50 FGEA N#Cc1c(-c2cnc(NC[C@H]3CCCO3)nc2)cc(-c2ccccc2)nc1N 67743746 SIQYXQDQQVSOHO-MRXNPFEDSA-N 372.432 3.250 30 50 FGEA NC(=S)N/N=C1\CCCc2c1[nH]c1ccc(CN3CCCCC3)cc21 4625312 RYJAKQTYJXFFPG-OQKWZONESA-N 355.511 3.027 30 50 FGEA N#Cc1cccc(C#N)c1N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 377159193 PMOQCKWLGOIAFZ-GOSISDBHSA-N 359.433 3.083 30 50 FGEA CCOC(=O)/C(C#N)=N\Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 13563448 OJINUOCIUPUKBR-SILNSSARSA-N 354.322 3.242 30 50 FGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(Cc2nnc(C)s2)C1 1875244391 RSKKDEVHMHGQJD-HNNXBMFYSA-N 358.467 3.018 30 50 FGEA C=CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@H](C)C3 2372737 MPZIPZGFZDCVGX-VIFPVBQESA-N 356.480 3.293 30 50 FGEA CC(C)(C)OC(=O)N[C@@H]1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 214969535 OEDURMYINMZSQS-MRXNPFEDSA-N 359.275 3.498 30 50 FGEA C#CCCC1(CCC(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)N=N1 2325892171 COYTXRSFWSZRJG-QGZVFWFLSA-N 369.465 3.382 30 50 FGEA CSc1nc(N)nc(SCC(=O)Nc2c(C)cccc2C)c1C#N 4652941 IEHQFJKIXNVVBH-UHFFFAOYSA-N 359.480 3.000 30 50 FGEA C#CCOC(=O)CCCC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 4953698 CXWJITOHGOXXSM-UHFFFAOYSA-N 359.165 3.187 30 50 FGEA Cc1ccc(C(C)(C)C/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)c1 330252816 INSSRXHUJXJXKW-DFQSSKMNSA-N 374.525 3.357 30 50 FGEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1ccc(F)cc1Cl 82137497 WBYULOMNJQKCNZ-GFCCVEGCSA-N 371.799 3.228 30 50 FGEA N#Cc1ccnc(N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1 95498369 BHHXHXPEPIDCQL-INIZCTEOSA-N 366.440 3.405 30 50 FGEA O=C(C[n+]1cc(Br)cc(Br)c1)c1ccccc1 1668328 VMYPUGMMFLQSEE-UHFFFAOYSA-N 356.037 3.382 30 50 FGEA C/C(=N\N=C1\N=C(O)[C@H](CC(=O)Nc2ccccc2)S1)c1ccco1 4980154 ODRWQBLPUBHSEP-HXJASHHUSA-N 356.407 3.460 30 50 FGEA COc1ccccc1-c1cc(-c2cccc(OCCO)c2)c(C#N)c(N)n1 67881290 POTFUXPGUFCCED-UHFFFAOYSA-N 361.401 3.249 30 50 FGEA Cn1cccc(N=C(O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)c1=O 328604179 ISFHVSUYTAZGIN-DYESRHJHSA-N 351.450 3.276 30 50 FGEA C[C@@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N 332662784 NMLAYRLSBPWGQK-KDOFPFPSSA-N 358.438 3.405 30 50 FGEA C=CCN1CCCn2nc(CN(C)CCn3ccc4ccccc43)cc2C1 72158352 KWWSEGUTUHPNCD-UHFFFAOYSA-N 363.509 3.362 30 50 FGEA COc1nccc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)c1C#N 77392579 CFGMWDLPKYUTRH-NRFANRHFSA-N 368.481 3.113 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1cccnc1)O2 229806549 HTIUHCFSDHKOSC-SHJAMOMRSA-N 369.384 3.204 30 50 FGEA COc1ccc(OC)c(NN=CCCCN2C(=O)c3ccccc3C2=O)c1 252679626 PJAPXEYBXKRGRB-UHFFFAOYSA-N 367.405 3.178 30 50 FGEA C=CCOc1ccccc1CN1CCN(Cc2ccc(C)o2)[C@@H](CCO)C1 19838423 OUQKUJIJUUKKGR-FQEVSTJZSA-N 370.493 3.222 30 50 FGEA COc1ccc(CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1C#N 836693691 YZRZGHVNXSEGPB-LBPRGKRZSA-N 370.356 3.126 30 50 FGEA C#CCCC1(CCNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)N=N1 2325890969 JFJDFGYPLFHHQZ-UHFFFAOYSA-N 365.412 3.196 30 50 FGEA Cc1ccccc1N1CCN([C@H]2CCCN(c3ncccc3C#N)C2)CC1 72147136 BJMIHGWNTKYARN-FQEVSTJZSA-N 361.493 3.053 30 50 FGEA C=CCc1cc(C(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1OC 952961350 IIQDHHSVZSCUPZ-INIZCTEOSA-N 370.493 3.287 30 50 FGEA O=C1CS/C(=N/N=C/c2ccc(-c3ccc(Br)cc3)o2)N1 13549133 XQWACWQDBQLQPU-FRKPEAEDSA-N 364.224 3.262 30 50 FGEA C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1cc([N+](=O)[O-])cn1 4686783 GUYGNJXJTUOCPQ-SNVBAGLBSA-N 359.411 3.193 30 50 FGEA CC(=O)N[C@@H](N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F 38141299 FHLMWTNXCBZALF-VIFPVBQESA-N 356.257 3.106 30 50 FGEA CCOC(=O)c1cnc(N=C(O)N2CCC[C@H]2c2ccccc2C)n1C 328595970 MBERRTSPVKPSPS-HNNXBMFYSA-N 356.426 3.288 30 50 FGEA Cc1ccccc1N1CCN([C@@H]2CCCN(c3ncccc3C#N)C2)CC1 72147135 BJMIHGWNTKYARN-HXUWFJFHSA-N 361.493 3.053 30 50 FGEA COc1ccc([C@@H]2CN(c3nc(C)cc(C)c3C#N)C[C@H]2N(C)C)cc1 95521730 FFMXBHPSDOMFHG-VQTJNVASSA-N 350.466 3.113 30 50 FGEA CN(C)CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]21C 253595355 CKHSOFXTVRKHKX-LMHGXJNZSA-N 357.538 3.216 30 50 FGEA CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 185955228 XNUMAWQEEJAWOY-CYBMUJFWSA-N 374.384 3.099 30 50 FGEA N#CCCCS(=O)(=O)N1CCC(c2ccccc2Br)CC1 187181740 IFCQVSJSDSHMBN-UHFFFAOYSA-N 371.300 3.262 30 50 FGEA C#CCCC1(CCC(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)N=N1 952879120 AETCVPZEZCDKMM-KRWDZBQOSA-N 363.421 3.360 30 50 FGEA O=C1N=C(O)CCN1CC(O)=Nc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1 329523879 RXHRDIGDEVAROO-UHFFFAOYSA-N 371.441 3.248 30 50 FGEA O/C(=N/CC1C2CC3CC(C2)CC1C3)NC1CCN(c2cccnn2)CC1 330265521 ZJQGAUOCDVNVOB-UHFFFAOYSA-N 369.513 3.021 30 50 FGEA Cc1ccc2nc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)c(F)n2c1 215636939 WHMRPKUWZAATBN-UHFFFAOYSA-N 362.408 3.479 30 50 FGEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1coc(-c2ccccc2)n1 82166240 PEXJBSDTNNEIQZ-MRXNPFEDSA-N 372.428 3.451 30 50 FGEA Cn1ccnc1[C@@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C1CC1 534586317 GMHBIQBZBVYGEA-SFHVURJKSA-N 363.465 3.138 30 50 FGEA C=CCc1cc(CN2CCC(N3CCOCC3)CC2)cc(OCC)c1OC 823358211 HIRDEIKQIXZUKL-UHFFFAOYSA-N 374.525 3.119 30 50 FGEA C[C@@H]1CCc2ccccc2N1C(=O)CON=C(N)c1nccc2ccccc12 733192394 UQVCJUKKMOLQJR-OAHLLOKOSA-N 374.444 3.240 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NC1CCCCC1)C2 14733012 JEMHGDNHQZEHIR-GOSISDBHSA-N 370.541 3.475 30 50 FGEA COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)c1 18031508 DEXGMHRASCXQGG-LJQANCHMSA-N 351.402 3.222 30 50 FGEA Cc1c(C#N)c(N2CCC(c3ccn(C)c(=O)c3)CC2)nc2ccccc12 1857670334 IKSOBBRJYUDUPX-UHFFFAOYSA-N 358.445 3.498 30 50 FGEA COc1ccc(-c2ccnc(C3CCN(c4ccnc(C#N)n4)CC3)n2)cc1 952892543 DUXAAHQOHCAYIY-UHFFFAOYSA-N 372.432 3.198 30 50 FGEA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1 1875302819 IDYLPJPZNVTWAH-BXUZGUMPSA-N 366.248 3.099 30 50 FGEA CC1(C)C(c2ccc(Br)cc2)=[N+]([O-])[C@]2(CCCCC2=O)N1O 2957892 ZLBZBAUBLPJZRI-MRXNPFEDSA-N 367.243 3.071 30 50 FGEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccnc2)cc1 9109000 WKEVMXMPAPRAFT-MGPUTAFESA-N 373.416 3.097 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OCC)c1 100563630 XWKPFYRFXPEHKV-IBGZPJMESA-N 371.433 3.322 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1sccc1C#N 328625510 DFGAGUNYTKZCQS-KBPBESRZSA-N 363.483 3.366 30 50 FGEA CCn1cc(CN(C)C(=O)CC2=C(c3ccccc3)CCC2=O)c(C)n1 426584000 JSEFWFXJUAHPQR-UHFFFAOYSA-N 351.450 3.377 30 50 FGEA N#C[C@H]1CCCN(C(=O)c2ccc(-c3ccc4nc(CO)[nH]c4c3)cc2)C1 534584186 CILZHGNHRILHHM-CQSZACIVSA-N 360.417 3.098 30 50 FGEA N#Cc1nccnc1N1CCc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2C1 200557502 RSLSFCRAJSJXIY-UHFFFAOYSA-N 360.465 3.102 30 50 FGEA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(CCOCCC#N)C1 952891690 HGLAWHVREFDLOB-UHFFFAOYSA-N 356.445 3.326 30 50 FGEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1OCc1ccccc1)[C@H]1C=C[C@H]2C1 100800023 IOFDLDJFFLMOPD-KBVSXGOTSA-N 372.424 3.407 30 50 FGEA N#Cc1cnn2c1N[C@@H](c1ccc3c(c1)OCCO3)C[C@H]2C(F)(F)F 2766548 WFBGFAZTZNQVQP-RISCZKNCSA-N 350.300 3.186 30 50 FGEA COc1ccc(C(=O)N2CCCN(Cc3ccc(F)c(C#N)c3)CC2)cc1 121530651 CSDRKJUXGCYPEH-UHFFFAOYSA-N 367.424 3.054 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)/C(O)=N/Cc1ccco1 328640849 QGNZMMVWMVPHNM-KBPBESRZSA-N 351.447 3.300 30 50 FGEA CCOC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 721633 CHTBNENGGKWASO-CYVLTUHYSA-N 366.826 3.102 30 50 FGEA Cc1cccc2[nH]cc(C/C(O)=N/C[C@@H]3CCn4ncc(C(=N)O)c4C3)c12 328606021 QDSAPBJUCKRUGZ-CYBMUJFWSA-N 365.437 3.318 30 50 FGEA CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)C1=C(CCCC1=O)N2 5860866 SZINQTCACXGNLQ-CQSZACIVSA-N 368.462 3.230 30 50 FGEA Cn1ncc(CN2CCc3[nH]cnc3[C@H]2c2cccc(C#N)c2)c1C1CC1 72426998 MZEDEWJPXLPMQH-OAQYLSRUSA-N 358.449 3.040 30 50 FGEA Cc1noc([C@H](N[C@@H](/C(O)=N/C2CC2)c2ccccc2)C2CCOCC2)n1 328615517 AVVNXRJCKIMNHI-QZTJIDSGSA-N 370.453 3.296 30 50 FGEA O/C(=N/Cc1ccnc(OC2CCCCC2)c1)N[C@@H]1CCO[C@H]1C1CC1 328832347 KQRNFRFKRAJCRL-MJGOQNOKSA-N 359.470 3.364 30 50 FGEA CC1(C)OB(C2CCN(C(=O)Cn3ncc4ccccc43)CC2)OC1(C)C 864234944 ABLYUMXGGFPKBR-UHFFFAOYSA-N 369.274 3.121 30 50 FGEA CCOC(=O)c1ccn(CSc2nc(C(F)(F)F)cc(C)c2C#N)n1 6392709 JGBUOAIXFYSLIH-UHFFFAOYSA-N 370.356 3.404 30 50 FGEA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1cccc(F)c1)O3 136436569 QOXYKXOQFVXHFB-WTLGNFPFSA-N 350.353 3.335 30 50 FGEA CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1 5864546 TYBFZGJHKXHJGN-ZDUSSCGKSA-N 368.462 3.087 30 50 FGEA C=CCNCc1cc(Cl)ccc1OC[C@H](O)CN1CCCCCC1 12597250 YHGLKSOUNSZAMM-GOSISDBHSA-N 352.906 3.231 30 50 FGEA COc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1O 19771338 WNZKBKQWHZIYEZ-FYJGNVAPSA-N 359.857 3.206 30 50 FGEA CC1(C)OB(c2ccc(OC(=O)CNc3ccccc3)cc2)OC1(C)C 169955917 YCTKHXXLBXRANU-UHFFFAOYSA-N 353.227 3.003 30 50 FGEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 915176 UYNFIMDHOIWYKN-QHCPKHFHSA-N 361.441 3.425 30 50 FGEA Cc1ccc(N=C(O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)cn1 328629683 IMUOORXLAIWLGG-MRXNPFEDSA-N 368.485 3.363 30 50 FGEA COc1cc(CN2CCc3[nH]cnc3[C@H]2c2ccc(C#N)cc2)cc(OC)c1 72426927 IEGVMVHTXXLIQO-JOCHJYFZSA-N 374.444 3.446 30 50 FGEA Cc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2cccc([N+](=O)[O-])c2)S1 18209058 SZCKOYZXZGOIMI-YDDPGSGASA-N 368.418 3.067 30 50 FGEA O=C1C[N+]([O-])=C(c2ccccc2Cl)c2cc(Br)ccc2N1 2290779 ZKIDABIKOXOGIW-UHFFFAOYSA-N 365.614 3.402 30 50 FGEA C=CCNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 4840710 HOJYIEJERHLLIU-UHFFFAOYSA-N 365.842 3.448 30 50 FGEA O/C(=N/[C@]1(Cc2ccc(Cl)cc2)CCOC1)[C@H]1CCn2ccnc2C1 328652095 BTWPLPMAOCJDHP-KXBFYZLASA-N 359.857 3.457 30 50 FGEA COc1cc(-c2cc(-c3ccc(C(=O)O)cc3)c(C#N)c(N)n2)ccc1O 71440485 AWMAGAXRHUBIED-UHFFFAOYSA-N 361.357 3.282 30 50 FGEA CC(C)(C)OC(=O)Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1Cl 230533058 VUEYUMOMWFXYOV-UHFFFAOYSA-N 354.643 3.381 30 50 FGEA C=CCc1cc([C@H]2CC(=O)NCc3nc(N)sc32)ccc1OC(C)C 65387477 WTQGPGYZBGBQFH-CQSZACIVSA-N 357.479 3.393 30 50 FGEA Cc1cccc2c(CC(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)c[nH]c12 328588164 YLHOVLSWBRAOCJ-GHTZIAJQSA-N 351.450 3.473 30 50 FGEA C=CCOc1ccccc1NC(=O)N1CCCO[C@H](CN2CCCCC2)C1 299782657 YLWWUCOIIZMCBN-GOSISDBHSA-N 373.497 3.360 30 50 FGEA CC(C)c1cc(N2CCN(CC#N)CC2)n2ncc(-c3ccccc3)c2n1 20591449 JUUYTVOKTNSKHH-UHFFFAOYSA-N 360.465 3.165 30 50 FGEA C=CCN1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 67587419 ZVZKRSXXCDBLQH-UHFFFAOYSA-N 354.454 3.114 30 50 FGEA COc1cccc([C@H]2CN(c3ncccc3C#N)[C@@H]3C4CCN(CC4)[C@H]23)c1 95382142 RWXWJZOEWBDNGS-NJDAHSKKSA-N 360.461 3.028 30 50 FGEA CC(C)(C#N)c1ccccc1CN1CCCC[C@@H]1c1n[nH]cc1C(N)=O 780070153 DIYMBDNOZYFAMO-QGZVFWFLSA-N 351.454 3.037 30 50 FGEA C=CCOc1ccc(CNC[C@H]2CCN(CCCOC)C2)cc1CC=C 1506415364 NDDOBVPQWZHHTF-HXUWFJFHSA-N 358.526 3.428 30 50 FGEA Cc1onc(CC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c1C#N 331551193 DQRSLVUDSFTWAV-DIFFPNOSSA-N 359.813 3.039 30 50 FGEA COCc1cc(C)nc(SCC(=O)Nc2cccc(C(C)=O)c2)c1C#N 1190905 NMRPNIFFPQZFBT-UHFFFAOYSA-N 369.446 3.342 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F 4820124 PZWMQSZWTKGXHM-OAHLLOKOSA-N 361.394 3.112 30 50 FGEA N/C(=N\OC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccncc1 4904878 PFNYRSXPOORDMA-UHFFFAOYSA-N 368.220 3.411 30 50 FGEA CCOC(=O)SC1=N/C(=C\c2cc([N+](=O)[O-])ccc2OC)C(=O)S1 4953215 WAGHTMUFVKURDV-YFHOEESVSA-N 368.392 3.463 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OCC)c1 100563631 XWKPFYRFXPEHKV-LJQANCHMSA-N 371.433 3.322 30 50 FGEA N#Cc1cc2c(nc1NC[C@H]1CCc3nc(C(F)(F)F)cn3C1)CCC2 330056749 WJHBSDIBASZZTL-LLVKDONJSA-N 361.371 3.332 30 50 FGEA CCCn1cc(-c2cc(-c3ccc(O)cc3OC)c(C#N)c(N)n2)c(C)n1 71763586 XTTLPBWRQCNOAF-UHFFFAOYSA-N 363.421 3.499 30 50 FGEA Cn1ccnc1[C@H]1CCCN(C(=O)CC2=C(c3ccccc3)CCC2=O)C1 95511403 KLQAREIPBYEIEA-KRWDZBQOSA-N 363.461 3.333 30 50 FGEA N#Cc1ccccc1CN1CCCN(C(=O)C2(c3ccccc3)CC2)CC1 1772702085 PMKBOZYLPCGWBN-UHFFFAOYSA-N 359.473 3.324 30 50 FGEA COc1ccc(-c2cs/c(=N/N=C/c3ccc4c(c3)OCO4)[nH]2)cc1 4582245 KKVKGEUFPXGIDV-DJKKODMXSA-N 353.403 3.415 30 50 FGEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 2055181 JDYMVSLORUCPCK-LJQANCHMSA-N 353.418 3.392 30 50 FGEA C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 2261299 QGEGAJSHVFBSDX-UHFFFAOYSA-N 354.497 3.249 30 50 FGEA C#CCN(CC=C)Cc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 55060972 SWXZIZOVZZEPQD-QFIPXVFZSA-N 370.537 3.312 30 50 FGEA Cc1ccccc1-c1nc(CO/N=C(/N)c2cc(F)c(F)c(F)c2)no1 134346114 BGZLKCKXNHUCLM-UHFFFAOYSA-N 362.311 3.299 30 50 FGEA CN(C)c1cnn(CCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c1 95370029 CDUOTZWVKPSMIB-UHFFFAOYSA-N 358.445 3.209 30 50 FGEA N#Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)c1 1565514090 LMHMXCSEPLCTOM-XLIONFOSSA-N 374.444 3.327 30 50 FGEA N/C(=N/c1ccccc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 4577800 DLGXRFXEWKRNRG-AWEZNQCLSA-N 359.838 3.352 30 50 FGEA O=C(ON1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)C1CCCCC1 2848517 UFEDDDUKZWGHMW-UHFFFAOYSA-N 368.345 3.383 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 632596 PRBGBZGUEIDCPH-INIZCTEOSA-N 371.433 3.186 30 50 FGEA Cc1nn(C)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1Br 2779007 FREVXERIWAILSC-UHFFFAOYSA-N 365.256 3.165 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1cccc(C#N)c1 328630354 JHKZQTIORJPCMC-IRXDYDNUSA-N 357.454 3.304 30 50 FGEA N#Cc1cn(C[C@H]2CN(Cc3ccccc3)CCCO2)c2ccccc2c1=O 283764363 BBAPLWFBPFSTKQ-HXUWFJFHSA-N 373.456 3.164 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc(C(=O)Nc3cnccn3)c2)N=N1 2325886375 SXJMATBGMJYCAQ-UHFFFAOYSA-N 362.393 3.023 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)O)N=N1 2325901007 QIKUNGQCQINWNK-IBGZPJMESA-N 353.422 3.031 30 50 FGEA Cc1ccc(S(=O)(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 36416928 VSVOPDINJSHSBZ-CQSZACIVSA-N 355.456 3.100 30 50 FGEA in-vitro C#CCCC1(CCC(=O)Nc2cccc(CN3CCCCC3=O)c2)N=N1 1875382124 RMCTUEBGFKLBGT-UHFFFAOYSA-N 352.438 3.493 30 50 FGEA Cc1nc(S(=O)(=O)NCc2ccccc2Cl)c(C#N)c(C)c1Cl 970390 ZSFBCYGLCFSFOF-UHFFFAOYSA-N 370.261 3.355 30 50 FGEA CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc3[nH]cc(C#N)c3c2)C1 2325858325 INQCFJUOVLVCAD-LJQANCHMSA-N 358.445 3.386 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1219693 AHJNKHUMWMOWCD-KRWDZBQOSA-N 352.346 3.392 30 50 FGEA O/C(N=c1cc[nH]cc1I)=N/CCC1=CCCCC1 330749355 YGMNZVAULHXUMS-UHFFFAOYSA-N 371.222 3.325 30 50 FGEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2cccc(OC)c2O)cc1 17074576 PCGOPJGUHXOCJH-HCZVKUGISA-N 362.451 3.227 30 50 FGEA C=CCOc1cccc(C(=O)N[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 952961330 BZSFKXYFLRYWLB-KRWDZBQOSA-N 350.418 3.095 30 50 FGEA O=C1Nc2ccccc2C1=NNc1ccc([N+](=O)[O-])cc1Br 777450541 UXOVOZKCUCYWNC-UHFFFAOYSA-N 361.155 3.126 30 50 FGEA C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3ccccc3C)CC2)C1=O 12000913 HBPNSGIDJGMJMB-JOCHJYFZSA-N 369.509 3.484 30 50 FGEA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2cccc(C#N)c12 2529494 OUGUQDOVKREGRN-UHFFFAOYSA-N 363.329 3.127 30 50 FGEA CC(C)(C)OC(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 170007047 PNURUDISZTVTLZ-UHFFFAOYSA-N 365.304 3.341 30 50 FGEA O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 4987451 ADDQEJQHKRSVDG-HOTGVXAUSA-N 361.397 3.420 30 50 FGEA O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 4987450 ADDQEJQHKRSVDG-CVEARBPZSA-N 361.397 3.420 30 50 FGEA Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 245650918 DLBVXBDAQBQNJH-MOPGFXCFSA-N 355.388 3.320 30 50 FGEA CC(=O)/C(=N/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 100068292 XCYIJYBOQDBFIX-MNDPQUGUSA-N 350.827 3.437 30 50 FGEA CS/C(C)=N\OC(=O)N(C)SN(C)C(=O)O/N=C(/C)SC 25723516 XDOTVMNBCQVZKG-OXAWKVHCSA-N 354.479 3.079 30 50 FGEA in-vitro Cc1ccc(N=C(O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)nc1 328619903 GJPCKLAQJNZVOF-LBPRGKRZSA-N 367.375 3.345 30 50 FGEA COc1ccc(CN2CCN(c3ccc(C#N)cc3)C(=O)C2)cc1Cl 82098111 JIAGEMHHPXHCGV-UHFFFAOYSA-N 355.825 3.069 30 50 FGEA COc1ccc(OC)c([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 1427997 TVQYBPXGWRCYQM-HNNXBMFYSA-N 372.465 3.140 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1 778527 LWHPEZVUFBDSCS-UHFFFAOYSA-N 357.483 3.067 30 50 FGEA CCOC(=O)c1cc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)oc1C 71762261 MJDZJBGDEVFUNK-UHFFFAOYSA-N 367.361 3.033 30 50 FGEA Cc1cc(/C(=C\N(C)C)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)on1 526056049 ILZWBBGHFAXEJX-NTCAYCPXSA-N 363.458 3.102 30 50 FGEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2O)c1 2219936 OHJVALXEAMJSJT-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA O=C(/C=C\c1ccccc1)C[C@]1(O)C(=O)Nc2ccc(Br)cc21 13425524 UTPAHIYYZUPGHZ-XOWYPZSQSA-N 372.218 3.261 30 50 FGEA Cc1cc(=O)[nH]c(SCC(=O)c2ccc(Br)cc2)c1C#N 626138 VSMPYBGGJJKILD-UHFFFAOYSA-N 363.236 3.293 30 50 FGEA COc1ccc(-c2noc(COc3ccc(C#N)cc3OC)n2)cc1OC 4384746 ULYHZCMGOSJZBK-UHFFFAOYSA-N 367.361 3.213 30 50 FGEA C#CCOc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1 2124454 PPWWMSXVXMPYLK-UNOMPAQXSA-N 360.438 3.086 30 50 FGEA Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(Br)cc1 13543732 POODDBZLVKBOKF-CAOOACKPSA-N 351.273 3.024 30 50 FGEA Cc1ccc(C(=O)N2CCN(Cc3ccccc3C#N)CC2)c(Cl)c1 2325867001 HMKXJVZPBWYRMX-UHFFFAOYSA-N 353.853 3.478 30 50 FGEA N#Cc1c2n(c3c(=O)n(Cc4ccc(Cl)cc4)cnc13)CCCCC2 755204 RJAVZBWLBKFAQQ-UHFFFAOYSA-N 352.825 3.498 30 50 FGEA C=CCN(C(=O)Nc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 1123257 AMZDRQXTDIGOJY-KRWDZBQOSA-N 367.380 3.178 30 50 FGEA CCCc1cc(N2CCN(CC#N)CC2)n2nc(C)c(-c3ccccc3)c2n1 20589591 SRGSJLSXTMIVOW-UHFFFAOYSA-N 374.492 3.303 30 50 FGEA O=C(NC[C@@H]1CCCN(CC#Cc2ccccc2)C1)c1ccc(F)cc1 11762314 AAVPYUBKGUQWEG-IBGZPJMESA-N 350.437 3.319 30 50 FGEA COc1cc(/C=N/N=c2\sc3ccccc3n2C)c([N+](=O)[O-])cc1OC 4562337 NAUWXUSOHJVJLK-MNVAPZAZSA-N 372.406 3.100 30 50 FGEA CN(C)CCc1nc([C@H]2CCC(C)(C)CO2)n(-c2cccc(C#N)c2)n1 2325849263 JSSKWCGXNCUQFB-QGZVFWFLSA-N 353.470 3.121 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(O)c1 4820186 ZWZPOCILNRPHLH-INIZCTEOSA-N 373.430 3.069 30 50 FGEA CCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C 8435260 SBQAUENXZPTWDG-UHFFFAOYSA-N 352.504 3.286 30 50 FGEA CC(C)Oc1ccc(S(=O)(=O)Nc2cnc(Cl)cc2C#N)cc1 225530263 KNPHGGYROXGHMH-UHFFFAOYSA-N 351.815 3.195 30 50 FGEA CCCOc1c(OC)cc(Cl)cc1-c1c(C#N)c(N)nc2c1CNCC2 72135542 KOULWDVOQXAVCK-UHFFFAOYSA-N 372.856 3.299 30 50 FGEA Cc1sc(N)nc1-c1cc(-c2cc(CC(C)C)[nH]n2)c(C#N)c(N)n1 71746736 OPSNFSMZWAPLHU-UHFFFAOYSA-N 353.455 3.138 30 50 FGEA CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 18130404 KHYKXQOONSTNTD-HXUWFJFHSA-N 374.444 3.392 30 50 FGEA C=CCN(c1ccc(C(=O)Nc2ccc(OCC)cc2)cc1)S(C)(=O)=O 1073074 VFIMWWHAIWJLTK-UHFFFAOYSA-N 374.462 3.290 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 4719724 GDFOBDKBCSQSJE-QGZVFWFLSA-N 356.378 3.126 30 50 FGEA Cc1cc(C)n2ncc(-c3cc(-c4cccc(O)c4)nc(N)c3C#N)c2n1 67973902 GAHHWUQWQLGWJW-UHFFFAOYSA-N 356.389 3.235 30 50 FGEA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc(F)c(C#N)c2)n1C 328636966 OJWWJKJMSKCRMD-SFHVURJKSA-N 354.429 3.123 30 50 FGEA CCc1onc(C)c1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328643770 YWWBERCWSDXDRB-SNVBAGLBSA-N 356.348 3.328 30 50 FGEA N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]21 239412575 SWNZAWCVOLSMRF-ICSRJNTNSA-N 359.389 3.458 30 50 FGEA CC#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 1875377105 SFDWXEPSYXKKGH-ROUUACIJSA-N 356.466 3.309 30 50 FGEA Cc1ccc(S(=O)(=O)OCC(=O)c2ccc(Br)cc2)cc1 2147116 SZJZTKMDYAXLBJ-UHFFFAOYSA-N 369.236 3.346 30 50 FGEA C=CCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 2817107 BZRMRMDEAQEQQY-UHFFFAOYSA-N 372.490 3.109 30 50 FGEA C=CCOc1c(OC)cc(Cl)cc1[C@H]1NC(=O)NC(C)=C1C(C)=O 4196879 LMLLECZVAKTFIB-OAHLLOKOSA-N 350.802 3.130 30 50 FGEA N/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 4802557 UDTNHESKKSSUSA-UHFFFAOYSA-N 354.149 3.379 30 50 FGEA O=C1C[C@@H](C(=O)Nc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 100125554 BJTHHPKUOAYFRA-NVXWUHKLSA-N 360.413 3.162 30 50 FGEA O=C(O)c1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 225551015 WLIJXHHZMWKXKD-XCVCLJGOSA-N 351.402 3.242 30 50 FGEA CC[C@@H]1CCc2c(sc(NC(=O)[C@H](C)n3cc([N+](=O)[O-])cn3)c2C#N)C1 2761497 XCOPCYIKPPYYMW-WDEREUQCSA-N 373.438 3.439 30 50 FGEA N#Cc1cc2n(n1)CCCN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2 65427917 XWMIHRVCZQJAQY-LJQANCHMSA-N 360.417 3.302 30 50 FGEA COc1ccc(OC)c(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c1 9088259 OQJLXBDFYSKIFQ-VXLYETTFSA-N 358.398 3.272 30 50 FGEA CCNc1ncc(-c2cc(-c3ccc(F)c(F)c3)nc(N)c2C#N)cn1 67654742 KWORELZSPYBVSV-UHFFFAOYSA-N 352.348 3.369 30 50 FGEA COc1cc(N2CCC[C@H](c3n[nH]cc3N=C(O)C3CCCC3)C2)ncn1 330041084 GAGSJVZYGLAEPQ-AWEZNQCLSA-N 370.457 3.371 30 50 FGEA CC1(C)C[C@H](O)c2cccc(NC[C@@H](O)COc3ccccc3C#N)c2O1 905606848 YFRFXJXEDDHIIU-QAPCUYQASA-N 368.433 3.005 30 50 FGEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](NC1(c3cc(F)ccc3F)CC1)C2 67818422 AQIUEMAMNBFAIW-CYBMUJFWSA-N 373.403 3.182 30 50 FGEA N#C[C@@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C1 219005759 MPZUHBKMODBMMT-KRWDZBQOSA-N 368.458 3.036 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)c(C)c1 17076227 KBVWJTYFVNACBI-NHDPSOOVSA-N 372.425 3.145 30 50 FGEA N#C[C@H]1CCCN(C(=O)c2ccc(-c3ncc(C(=O)O)cc3Cl)cc2)C1 426394594 LHHFPUTUBHMAEU-GFCCVEGCSA-N 369.808 3.476 30 50 FGEA COc1cccc([C@H]2O[C@@]34CCCC[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)c1 239038502 DIHNNJYQROBDAC-ACZWYYKOSA-N 362.389 3.204 30 50 FGEA Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C#N 5499782 RPKAXZJTXZQCLG-UHFFFAOYSA-N 363.446 3.008 30 50 FGEA C=CCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 15071490 DVKCYAKCHLLPGY-HXUWFJFHSA-N 362.420 3.272 30 50 FGEA N#C[C@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)C1 331644149 SNDBBCKRYZBCQA-NORZTCDRSA-N 351.809 3.254 30 50 FGEA N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)c1 92021584 SBLRQIHDFYYIQH-PGRDOPGGSA-N 371.484 3.262 30 50 FGEA C=CCN1C[C@@H](C)N(C(=O)Nc2ccc(OC)c(NC(=O)CC)c2)C[C@H]1C 299759433 HIIIDKDPBKMMKD-HUUCEWRRSA-N 374.485 3.156 30 50 FGEA Cc1ccccc1-n1cc(CN(C)Cc2cc(C#CCO)cs2)cn1 952873921 QSLWGXQZUYYQOZ-UHFFFAOYSA-N 351.475 3.218 30 50 FGEA CCOC(=O)/C(=N/Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(C)=O 15636857 LBKDMLYEAHUNBV-LVZFUZTISA-N 355.350 3.182 30 50 FGEA N#CCCn1nc(-c2ccc(-c3ccccc3)cc2)cc1/C=N/NC(N)=S 22130528 LBXLUADFTOSZIV-OEAKJJBVSA-N 374.473 3.298 30 50 FGEA CCCCCC(=O)/C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 100015713 YRTJDWROBKPZNV-KLSMLUFESA-N 350.455 3.459 30 50 FGEA in-vitro CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC(C)C 27618719 WJQLUFQGNVGLKR-SZMVWBNQSA-N 362.470 3.057 30 50 FGEA N#C[C@@H]1N(C(=O)c2cccc([C@H]3CCOC3)c2)CCC[C@]12CCCCO2 329876203 HPRILICYNCGKNI-IRFCIJBXSA-N 354.450 3.258 30 50 FGEA C#CCCC1(CCNC(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)N=N1 2325891162 UTUKGMCBMDOZGB-KRWDZBQOSA-N 361.449 3.194 30 50 FGEA C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(C)cc1 4949496 XBFBZJGXIBWYET-BOPFTXTBSA-N 365.385 3.224 30 50 FGEA C=CCN[C@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 299764378 VEEYBCFATSEGBB-INIZCTEOSA-N 365.502 3.448 30 50 FGEA C=CCOc1cccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 952961331 BZSFKXYFLRYWLB-QGZVFWFLSA-N 350.418 3.095 30 50 FGEA C=C(Cl)Cn1c(=O)c(CN(C)CCn2cccn2)cc2ccc(F)cc21 12126301 CMMIXDMJQLYWRZ-UHFFFAOYSA-N 374.847 3.222 30 50 FGEA COc1cc(/C=N/n2c(-c3ccco3)n[nH]c2=S)ccc1OC(C)=O 5562838 RSDKIVIVLJBVTM-RQZCQDPDSA-N 358.379 3.017 30 50 FGEA COc1ccc2c(c1)c(CC(=O)NO)c(C)n2C(=O)c1ccc(Cl)cc1 608008 AJRNYCDWNITGHF-UHFFFAOYSA-N 372.808 3.348 30 50 FGEA in-man C=CCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)Cc1ccc(C)s1 55089534 FBNHUCLGJROTGN-UHFFFAOYSA-N 368.524 3.229 30 50 FGEA C[C@H](/N=C(/O)c1cn([C@H]2CCOC2)nn1)c1ccc(Br)cc1 330104923 JGHZQJPYHXAHQB-GWCFXTLKSA-N 365.231 3.068 30 50 FGEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1c(O)ccc3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226555 CATCDIJZYNTTGI-CYOFQFNDSA-N 358.397 3.077 30 50 FGEA C[C@@H]1CN(c2cccnc2C#N)CCN1C(=O)C12CC3CC(CC(C3)C1)C2 96272425 NRWYEXCPHKZKIR-NOCBQHASSA-N 364.493 3.207 30 50 FGEA in-vitro C/C(Cn1nnc([N+](=O)[O-])n1)=N\Nc1c(Cl)cc(Cl)cc1Cl 12343286 RLDMCQQJFNVOSY-LHHJGKSTSA-N 364.580 3.030 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1[N+](=O)[O-] 19315020 QSVOQALWIYQLDV-KRWDZBQOSA-N 356.378 3.126 30 50 FGEA C[C@@](C#N)(NC(=O)c1cc(-c2ccc3c(c2)OCO3)[nH]n1)C1CCCCC1 1875365166 ANUBCYUATPLYFG-FQEVSTJZSA-N 366.421 3.398 30 50 FGEA CN(C)Cc1cc(C(=O)OCc2cn3ccccc3c2C#N)ccc1F 2325859866 NXQNSUUFHIKUQD-UHFFFAOYSA-N 351.381 3.369 30 50 FGEA COc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)c2C#N)cc1OC 1054672 JQNRGSHUUAWEGP-HNNXBMFYSA-N 358.419 3.421 30 50 FGEA C[C@H]1c2ccccc2CN1/C(O)=N/C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 329219977 AGCXPLAYDQTPNQ-TWOQFEAHSA-N 367.497 3.294 30 50 FGEA Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-] 2782472 BRGKDUNPZIYCLQ-MWLCHTKSSA-N 373.438 3.357 30 50 FGEA O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccnc1)n1ncnc1N2 5371789 SUSQKKGZOLAXTG-LIRRHRJNSA-N 361.380 3.228 30 50 FGEA C#CCCC1(CCNC(=O)c2oc3ccccc3c2Cn2cccn2)N=N1 2325891202 XUWIWFDJDMCORN-UHFFFAOYSA-N 361.405 3.373 30 50 FGEA Fc1ccc(N2CCN(C[C@@H](S)COCc3ccccc3)CC2)cc1 55464300 AYVBHPKQWXMMNF-HXUWFJFHSA-N 360.498 3.463 30 50 FGEA COC(=O)c1ccc(/C=N/n2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 2586912 OUCNLLBSPQIOQR-YBFXNURJSA-N 368.418 3.285 30 50 FGEA C#CCCC1(CCNC(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)N=N1 2325891187 WRVZLVWEGXSZHS-UHFFFAOYSA-N 372.432 3.424 30 50 FGEA CO[C@H](c1ccccc1)[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 225621718 LZIKESMCKJDGFR-IERDGZPVSA-N 350.466 3.288 30 50 FGEA OC(CN1CC[C@@H](Oc2ccccn2)C1)=Nc1nc2c(s1)CCCC2 330106750 LGFVSVHDCRPAFM-CYBMUJFWSA-N 358.467 3.158 30 50 FGEA Cc1ccc(S(=O)(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)cc1 169745873 XJERZPFENBAXMZ-UHFFFAOYSA-N 373.283 3.095 30 50 FGEA CC1(C)OB(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)OC1(C)C 1857778027 NDNBBVLQSIJFQI-UHFFFAOYSA-N 368.198 3.146 30 50 FGEA C(=N/N=c1cc[nH]c2ccccc12)\c1c[nH]nc1-c1ccc2c(c1)OCO2 1875256351 NAYOOHXJKMQOHP-LSHDLFTRSA-N 357.373 3.222 30 50 FGEA C=CC(=O)N(C)c1ccc(C(=O)NCc2ccc(SC)c(C#N)c2)cc1 1875373718 LUFAALRXBSHPFK-UHFFFAOYSA-N 365.458 3.359 30 50 FGEA N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC[C@H](C4CC4)N3)c2)c1 1875315499 XJGOTUNMHFQRCO-UXHICEINSA-N 374.444 3.280 30 50 FGEA C[C@@H]1CC[C@@H](c2cccs2)N(Cc2cc(O)n3ncc(C#N)c3n2)C1 2325873779 TWFAIUYRNJLGJO-DOMZBBRYSA-N 353.451 3.341 30 50 FGEA O=C1C=C(c2cccs2)C[C@@H](c2ccccc2)[C@@H]1n1nnc([N+](=O)[O-])n1 1079205 RRNWTPYCEVWZSQ-BBRMVZONSA-N 367.390 3.024 30 50 FGEA CC(C)Cn1ncc(N/C(O)=N/[C@H]2CCc3c[nH]nc3C2)c1C(F)F 328838687 NWXYQFZOOGXDJZ-NSHDSACASA-N 352.389 3.083 30 50 FGEA COc1nccc(N2CCC[C@](CO)(CCOc3ccccc3)C2)c1C#N 71751390 AMBMIUOWHMYBOD-NRFANRHFSA-N 367.449 3.010 30 50 FGEA N#CCN1CCC(C/N=C(/O)c2cc(F)cc(Br)c2)CC1 330913900 XTOCKSGSOMEPQR-UHFFFAOYSA-N 354.223 3.128 30 50 FGEA N#Cc1cccc(NC(=O)CNC(=O)c2cc3ccc(Cl)cc3o2)c1 1875341893 MZTAQCOPLDPBOT-UHFFFAOYSA-N 353.765 3.326 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 4981335 FASQBFRZFSRFQZ-KRWDZBQOSA-N 355.365 3.050 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 626903 KXQCZCCHTKEKQJ-OAHLLOKOSA-N 359.397 3.316 30 50 FGEA C=CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1-c1ccncc1 10677189 YGXGNPGNFCRJMD-UHFFFAOYSA-N 372.479 3.022 30 50 FGEA C=CCn1cc(CN2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c(C)n1 55153403 LFSNBPMFJYECOK-KRWDZBQOSA-N 364.453 3.202 30 50 FGEA OC(=Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cnc2[nH]nnc2c1 329138131 IBPSQJODNWPGFO-UHFFFAOYSA-N 351.366 3.421 30 50 FGEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cnn(C)c3)nc21 20604795 QJCFBGHSEARCTC-UHFFFAOYSA-N 367.356 3.059 30 50 FGEA N#C[C@@]1(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)CCc2ccccc2C1 183959388 FAOZTCKZHHGQOS-DYESRHJHSA-N 366.848 3.459 30 50 FGEA COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)ccc1OC(C)=O 5830048 RETZQFUXBHVORD-YBFXNURJSA-N 368.418 3.424 30 50 FGEA Cc1csc(C2=C(N)N(Cc3ccc(Cl)cc3Cl)CC2=O)n1 13734074 ZJXGUPAXMLOYDL-UHFFFAOYSA-N 354.262 3.471 30 50 FGEA CCOc1ccc(Br)cc1[C@H]1NC(=S)NC(C)=C1C(C)=O 1126801 DICRXQUAKUJHQT-CQSZACIVSA-N 369.284 3.230 30 50 FGEA C=CCOc1cc(Cl)c([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC 4821154 RRPDWYFYKLKJOA-MRXNPFEDSA-N 350.802 3.130 30 50 FGEA N#Cc1ccc(CN2CCCN(C(=O)c3ccnc(C4CC4)c3)CC2)cc1 329333798 NPZBJTUWONZRMV-UHFFFAOYSA-N 360.461 3.179 30 50 FGEA N#Cc1cc2c(nc1N1CCC[C@H](Oc3ncccc3F)C1)CCCC2 330137098 NQCPPYCXYWTVIV-INIZCTEOSA-N 352.413 3.414 30 50 FGEA COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 252327545 RYZNRFOSCDAQJF-ZNTREXEXSA-N 372.424 3.235 30 50 FGEA CC(C)c1ccc(N2C[C@@H](C(=O)NCc3cccc(C#N)c3)CC2=O)cc1 952987553 IHNIYHDPIDVMJX-IBGZPJMESA-N 361.445 3.351 30 50 FGEA Sc1nnc(-c2ccccc2Br)n1/N=C/c1ccncc1 6059956 BUCDRJRAYBWNIY-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA Cc1ccnc(N/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328616641 BXFYEVUKRWCLED-NSHDSACASA-N 353.348 3.194 30 50 FGEA N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 892495768 FGZDXAJDHRGYQK-UCIVKPIZSA-N 367.232 3.456 30 50 FGEA CN=c1[nH]c(=NCc2csc(-c3ccc(C#N)cc3)n2)[nH]c2ccccc12 2325824985 YGTBPBXUOGEWLI-UHFFFAOYSA-N 372.457 3.123 30 50 FGEA C#CCCC1(CCNC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)N=N1 2325890926 DEHRPJXUQASQJB-UHFFFAOYSA-N 368.416 3.225 30 50 FGEA C#CCCC1(CCC(=O)NC[C@@](C)(COCc2ccccc2)OC)N=N1 2325892579 SHDHJVAIRVBNDQ-IBGZPJMESA-N 357.454 3.080 30 50 FGEA N#Cc1c(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)sc2c1CCCC2 815010 PBDPHOBXUXSBKZ-INIZCTEOSA-N 367.430 3.336 30 50 FGEA CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1C#N 4212206 FBMYKMYQHCBIGU-SFHVURJKSA-N 363.461 3.390 30 50 FGEA investigational N/C(=N\OC(=O)CSc1ccccc1)c1cccc(Br)c1 4832087 LIDFOJSDBXBUQS-UHFFFAOYSA-N 365.252 3.405 30 50 FGEA C=CCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21 100449323 DXSQEAFJKHGBLX-UHFFFAOYSA-N 365.345 3.054 30 50 FGEA C/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cc(O)cc(O)c1 17074581 LKQJJNMWPBXWBT-UNOMPAQXSA-N 362.451 3.098 30 50 FGEA CCCCCC(=O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 13539158 LOLJEILMPWPILA-XCTNVWNWSA-N 352.471 3.251 30 50 FGEA in-vitro COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1 5578670 HHRNFNNIFWPYAB-LICLKQGHSA-N 355.379 3.407 30 50 FGEA N#Cc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cn1 301562070 ITKFZDPTZHLYCQ-UHFFFAOYSA-N 367.762 3.347 30 50 FGEA C=CCC1(C(=O)N2Cc3c[nH]nc3[C@H](c3n[nH]c(CC)n3)C2)CCCCC1 1875393783 SSPADVWOVXBPQS-OAHLLOKOSA-N 368.485 3.091 30 50 FGEA N#CC1(CS(=O)(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)CCCC1 333112253 SIZJOLLBLKAUKZ-GFCCVEGCSA-N 358.385 3.095 30 50 FGEA COc1ccc(OC)c(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)c1 67692064 UHVWSWICBNMWOS-UHFFFAOYSA-N 363.373 3.298 30 50 FGEA N#Cc1c(-c2ccccc2OCCn2ccnc2)cc(-c2cc[nH]c2)nc1N 71661806 HEOODYUFIGIOHA-UHFFFAOYSA-N 370.416 3.473 30 50 FGEA COc1ccc([C@@H]2O[C@@]34CCCC[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 239358449 NIQNGEJIBOTJBP-CPLUKWAASA-N 362.389 3.204 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(Cc1ccc(OC)c(C)c1OC)CC2 91440758 NWIJSHOIVNZEHO-UHFFFAOYSA-N 372.509 3.403 30 50 FGEA N#C[C@]1(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CCc2ccccc2C1 183950231 VJAUDXNKACHWSL-MSYCTHLASA-N 374.440 3.129 30 50 FGEA CCN(CC)/C(=N/OCc1ccc(Cl)cc1Cl)c1nonc1N 5007610 MSSSNGLSQBJNLB-XSFVSMFZSA-N 358.229 3.179 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccco1)c1ccc(F)cc1 15961966 PNPZDADSFMQDJG-RHSMWYFYSA-N 371.364 3.176 30 50 FGEA O/C(=N/Cc1cc(Cl)ccc1N1CCOCC1)[C@H]1CCn2ccnc2C1 328864800 ZMGDWEXQGNGAGV-AWEZNQCLSA-N 374.872 3.092 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1cccnc1-n1ccnc1 67871593 CZWDFDJSMOPHOI-UHFFFAOYSA-N 372.428 3.090 30 50 FGEA COc1ccc(CC2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)cc1 155185203 YPDNTGKWRSRWDF-UHFFFAOYSA-N 369.509 3.292 30 50 FGEA COc1cccc(-c2ncc(CNC(=O)N3CCC[C@@H](C#N)C3)s2)c1 426488432 QIQFYWUGUAXRSZ-ZDUSSCGKSA-N 356.451 3.264 30 50 FGEA N#Cc1cc2n(n1)CCCN([C@@H](C(=O)O)c1cccc(-c3ccccc3)c1)C2 1506425100 CKMKNCVMUSWPCS-OAQYLSRUSA-N 372.428 3.453 30 50 FGEA COc1cccc(/C=N/n2c(S)nnc2COc2ccccc2)c1OC 1455444 RGXNUXQTLZHXFS-YBFXNURJSA-N 370.434 3.045 30 50 FGEA C=CCS(=O)(=O)N1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 12431692 VJIOKHUEWXMILM-SFHVURJKSA-N 373.474 3.259 30 50 FGEA Cc1ccnc(N/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)c1 328655374 YGPUBUPAMVGXME-ZFWWWQNUSA-N 363.462 3.093 30 50 FGEA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(C#N)cc1 724938 LBCRBDBVUCMIII-LJQANCHMSA-N 371.400 3.139 30 50 FGEA Cc1ccc2cc(S(=O)(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1 2865668 QMJMXIUMVIGEAV-UHFFFAOYSA-N 367.382 3.065 30 50 FGEA CCO[C@@H]1C[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C12CCCC2 252511749 KHYGHRMVIVAKKL-LUKYLMHMSA-N 363.502 3.073 30 50 FGEA Cc1c(C)c(C)c(C/N=C(/O)N2CC[C@H](CS(C)(=O)=O)C2)c(C)c1C 331130300 IZSFPDMAUMCFBX-KRWDZBQOSA-N 366.527 3.009 30 50 FGEA CCn1cc(-c2c(C#N)c(N)nc3c2CN(c2ccc(F)cc2)CC3)cn1 72144314 BBFMIGUSMJFTQR-UHFFFAOYSA-N 362.412 3.121 30 50 FGEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1coc(-c2ccccc2)n1 82166241 PEXJBSDTNNEIQZ-INIZCTEOSA-N 372.428 3.451 30 50 FGEA C=CCN1C[C@@H](C)N(C(=O)Nc2cc(C(C)=O)ccc2OCC)C[C@H]1C 426728293 OKKDUJQJYVKAIG-HUUCEWRRSA-N 359.470 3.400 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 91321538 NJZRGBHOBMHYEW-IBGZPJMESA-N 358.449 3.286 30 50 FGEA C=CCN1C[C@@H](C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)CCC1=O 71748987 YGBIKVRFNYYUNR-INIZCTEOSA-N 353.466 3.134 30 50 FGEA C#CCN1C(=O)[C@@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 2895331 ISWIWKUAPSEKCJ-QEVSYEORSA-N 357.409 3.083 30 50 FGEA N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2 100507829 VOSIPQAIPKUIDN-QMMBQJITSA-N 356.447 3.350 30 50 FGEA CCn1nc(C)c(-c2cc(-c3cnc(SC)nc3)c(C#N)c(N)n2)c1C 71768078 CQNXIJFNUGQBNR-UHFFFAOYSA-N 365.466 3.215 30 50 FGEA C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 426739079 PJQJIZUYTJRGGO-ZDUSSCGKSA-N 367.836 3.181 30 50 FGEA CN(CCC/N=C/c1ccccc1O)CCC/N=C/c1ccccc1O 60272552 ZWZQCMKZDVYHJR-LKNRODPVSA-N 353.466 3.348 30 50 FGEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2cccc(OC)c2)cc1 18085462 JEARHPWECXDSFY-GOSISDBHSA-N 353.374 3.193 30 50 FGEA Sc1nnc(-c2ccccn2)n1/N=C/c1cccc(Br)c1 6062867 UMAKFHLIFKCIRK-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA C=C(C)COc1ccc(CN(CCO)Cc2cnc(C)[nH]2)cc1OCC 1772706930 YMFVFPGZDLWCOJ-UHFFFAOYSA-N 359.470 3.066 30 50 FGEA CCOC(=O)[C@@H]1S[C@H](c2ccccc2)[C@@H](C#N)[C@@]1(O)c1ccccc1 13465991 ZPRSFVJGPUMQRX-XSYGEPLQSA-N 353.443 3.434 30 50 FGEA CCSc1nc2n(n1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 4412240 MORHTADERZHHLW-OAHLLOKOSA-N 355.467 3.443 30 50 FGEA COC(=O)c1ccc(/C=N/n2c(-c3cccc(OC)c3)n[nH]c2=S)cc1 6007346 RZXHKRMOJZCFMY-YBFXNURJSA-N 368.418 3.285 30 50 FGEA COc1ccccc1N1CCN(/N=C(\C)c2cccc([N+](=O)[O-])c2)CC1 25580066 ZHWYFYMOZWPIIZ-HMMYKYKNSA-N 354.410 3.150 30 50 FGEA C=CCN(Cc1ccccn1)C(=O)CC(=O)Nc1ccccc1OCC 65395129 XXUDFXVZFQIFFH-UHFFFAOYSA-N 353.422 3.024 30 50 FGEA Cc1cccc(OC[C@H]2CCCN(C(=O)c3cnc(O)c(C#N)c3C)C2)c1 72447837 CTRUNEFUVYCYET-INIZCTEOSA-N 365.433 3.207 30 50 FGEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C(=O)OCC)CC2)c1 801297 BCHBBMFYVYUAHH-UHFFFAOYSA-N 359.470 3.439 30 50 FGEA CC(C)CN(CC#Cc1ccccc1)C(=O)C[C@H]1NC(=O)c2ccccc21 63870356 PCBAYAVGDNHTAN-OAQYLSRUSA-N 360.457 3.398 30 50 FGEA C=CCC1(CC=C)CCCN1C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 11936978 TZCIGWCKNJUZHS-SFHVURJKSA-N 367.493 3.334 30 50 FGEA CCCCCCCC[C@@H](O)CCC(=O)N1CCC[C@@H]1c1nncn1C 253407665 HXVOSMASLGJHTK-IAGOWNOFSA-N 350.507 3.370 30 50 FGEA N#Cc1ccccc1C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91562732 VGKNOONOFQPFSY-JOCHJYFZSA-N 365.477 3.346 30 50 FGEA Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](c3ccncc3)C2)c(C#N)c1C 295692139 DLTDMPHOUOORMN-PBHICJAKSA-N 352.438 3.370 30 50 FGEA C=C(C)[C@@H]1CC=C(CN2CCC(CCC(=O)NCCN(C)C)CC2)CC1 12205690 OVWBBGDYQJTVQY-OAQYLSRUSA-N 361.574 3.459 30 50 FGEA COc1cccc(CN2CCC[C@@H](COc3ccc(C#N)cc3OC)C2)n1 1857738957 GJQQWMGBEDMRSP-QGZVFWFLSA-N 367.449 3.261 30 50 FGEA N#Cc1cccc(S(=O)(=O)NC(=O)c2cc3cc(F)ccc3s2)c1 916809060 RHYLYZYTABDNGQ-UHFFFAOYSA-N 360.391 3.031 30 50 FGEA CCn1nc(C(=O)N(C)Cc2ccc(C#N)cc2)c2c1[C@H](C)O[C@H](C)C2 1875301256 HQHLAXFEOCJQKJ-KGLIPLIRSA-N 352.438 3.069 30 50 FGEA CC[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](CNC(=O)[C@H](C)C#N)CC2)CC1 1875342019 UHYFCTYQHTVQOV-FVVUREQNSA-N 361.530 3.401 30 50 FGEA C=CCN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)COC)c1 55341348 HZQJREISQXPBAY-UHFFFAOYSA-N 356.397 3.239 30 50 FGEA CC(C)(O)C#Cc1ccc(-c2nccn2-c2cccc(-n3cncn3)c2)cc1 77297777 LILXWHRWLYUJBD-UHFFFAOYSA-N 369.428 3.242 30 50 FGEA COc1cc(C=NN2CCN(Cc3ccccc3Cl)CC2)ccc1O 245238547 TWOVPXJLYZAGRE-UHFFFAOYSA-N 359.857 3.206 30 50 FGEA COc1cc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1O 19771350 TWOVPXJLYZAGRE-FYJGNVAPSA-N 359.857 3.206 30 50 FGEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 2872118 FWQCLAIJFUCLPZ-HSZRJFAPSA-N 372.424 3.471 30 50 FGEA aggregator N#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2cccs2)CC1 6662058 ZRNVHUPXOWRUJS-UHFFFAOYSA-N 364.430 3.237 30 50 FGEA CN(C)C(=O)c1ccc([C@H]2CCCN2Cc2cc(C#CCO)cs2)s1 20865070 NTFIEHIVILULKV-MRXNPFEDSA-N 374.531 3.192 30 50 FGEA O=[N+]([O-])c1cc(/C=N/N2CCN(Cc3ccccc3)CC2)ccc1Cl 20146164 BTQLAZJJGIULEA-DEDYPNTBSA-N 358.829 3.400 30 50 FGEA CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1 328591423 NQRMWGPDIQEXBT-DZTNWFRXSA-N 374.506 3.270 30 50 FGEA C=C(C)Cn1nc(C)c(CCC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c1C 230207408 LMHLQTBXEIVBIM-FPOVZHCZSA-N 372.557 3.389 30 50 FGEA biogenic N#C/C(=N\Nc1ccc(Br)cc1)c1nc2ccccc2c(=O)[nH]1 5317364 JLQJCMRBWXAWFP-HYARGMPZSA-N 368.194 3.025 30 50 FGEA Cc1cn(C/C(O)=N/C[C@@H]2CCn3ncc(C(=N)O)c3C2)c2ccccc12 328602943 DGTQURJUZFMUHX-CQSZACIVSA-N 365.437 3.249 30 50 FGEA COC(=O)CCCCCCCC(=O)Nc1nc2ccc(C#N)cc2n1C 2325872084 HGMBIMDYEMJGDJ-UHFFFAOYSA-N 356.426 3.287 30 50 FGEA C=CC(=O)N1CCCc2cc(C(=O)N(C)Cc3cc(C#N)cs3)ccc21 2325889628 ALHSDBWQYNOLGP-UHFFFAOYSA-N 365.458 3.357 30 50 FGEA COc1ccccc1N1CCN(C[C@H](S)COCc2ccccc2)CC1 2686888 PEZAIKIVZPHSCQ-IBGZPJMESA-N 372.534 3.332 30 50 FGEA C=C(C)COc1ccc(C(=O)N2CCC(Oc3ncccn3)CC2)cc1 55054767 OLJBPZFKSPXDKG-UHFFFAOYSA-N 353.422 3.115 30 50 FGEA CCOc1cc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)ccc1O 33848658 UDEPAJUJAQIIAU-PXLXIMEGSA-N 353.466 3.251 30 50 FGEA Cc1c(F)c(B2OC(C)(C)C(C)(C)O2)cc([N+](=O)[O-])c1Br 217047371 KEWCFXPLPHAAJV-UHFFFAOYSA-N 359.988 3.104 30 50 FGEA O=[N+]([O-])c1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 19790549 DXLAPXDLGPZWKB-DEDYPNTBSA-N 358.829 3.400 30 50 FGEA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cn3c(C)c(C#N)c4ccccc43)C[C@H]21 2356165495 BNMJOIHAPZLRMS-NBCNXNJRSA-N 365.477 3.221 30 50 FGEA C=CCOc1cccc(-c2nn3c(CN4CCCCC4)nnc3s2)c1 57524493 KKLIKDVOIFZUQW-UHFFFAOYSA-N 355.467 3.404 30 50 FGEA N#Cc1ccsc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 5671053 IUHKZFHPMWQIRL-UHFFFAOYSA-N 368.336 3.363 30 50 FGEA CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 169794035 HPNRDPOPMKBCOR-UHFFFAOYSA-N 372.196 3.384 30 50 FGEA CC1(C)CCCN(S(=O)(=O)c2cccc(Br)c2)[C@@H]1C#N 408401725 HLSWBBYWQMJQRX-CYBMUJFWSA-N 357.273 3.152 30 50 FGEA C=C(C)CNC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1 76922224 XXZLWFDFORKTGL-UHFFFAOYSA-N 350.846 3.036 30 50 FGEA Cc1ccc(C)c(S(=O)(=O)N/N=C2\CCCOc3ccc(F)cc32)c1 222062555 RAVZABJUHCYANF-CAPFRKAQSA-N 362.426 3.298 30 50 FGEA O=[N+]([O-])c1ccc(N/N=C/c2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1 5016144 YARVZFHKUFIKKV-RQZCQDPDSA-N 352.310 3.339 30 50 FGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccc(F)c1)O3 169685626 QOXYKXOQFVXHFB-OSGQAZFXSA-N 350.353 3.335 30 50 FGEA Cc1cccc2c(CC(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)c[nH]c12 328588170 YLHOVLSWBRAOCJ-WIYYLYMNSA-N 351.450 3.473 30 50 FGEA Cn1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1C#N 490537577 BZEJBZAKJVYKBG-ZDUSSCGKSA-N 351.376 3.029 30 50 FGEA C#CCCC1(CCNC(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)N=N1 2325887474 VDKWKCPDHRMLDB-UHFFFAOYSA-N 366.299 3.248 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccncc1 6699039 HLPYSANPWKVXJI-UHFFFAOYSA-N 371.510 3.457 30 50 FGEA Cc1nn(C)cc1-c1cc(-c2cccn2-c2nccs2)c(C#N)c(N)n1 71765637 IRCGGNZAPZLZPU-UHFFFAOYSA-N 361.434 3.159 30 50 FGEA C=CCn1cc(-c2cn([C@@H](C)c3ccc4c(c3)OCCCO4)nn2)c(C)n1 92046672 YVOJHKALKNYAPA-HNNXBMFYSA-N 365.437 3.407 30 50 FGEA CC(C)(C)OC(=O)NCc1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 238791279 TZDCLBSKYFXWEG-UHFFFAOYSA-N 351.227 3.150 30 50 FGEA Oc1ccc(Br)cc1/C=N/NC(=S)NC1CCCCC1 4209623 CYLCKWDQDZFEHQ-CXUHLZMHSA-N 356.289 3.285 30 50 FGEA COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2cccc(C)c2)S1 12843743 HJZZBLXKBXEDRX-XNHPLOEXSA-N 353.447 3.168 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)c2cc(Cl)ccc2Cl)cc1OC 4978522 XDKBWKAVGJXHRY-UHFFFAOYSA-N 369.204 3.488 30 50 FGEA CCn1ncc(-c2cc(-c3[nH]c(C)c(C(=O)O)c3C)nc(N)c2C#N)c1C 71405850 MMYIQORTAGEBGP-UHFFFAOYSA-N 364.409 3.037 30 50 FGEA Cn1cc(-c2cc(-c3cc(CN4CCCC4)cs3)nc(N)c2C#N)cn1 71767946 NFUJLAXAJDVIIB-UHFFFAOYSA-N 364.478 3.260 30 50 FGEA C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)SC1=S 974080 GMHYSEBMJZODHQ-FMIVXFBMSA-N 351.449 3.100 30 50 FGEA C=CCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 12297298 FWOFXDZDBVYRRK-OAQYLSRUSA-N 356.466 3.003 30 50 FGEA CCC/C(Nc1ccccc1O)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100468645 MPNMRRFBMQAVMV-MAUBAPBLSA-N 359.422 3.216 30 50 FGEA Cn1c(C/N=C(/O)[C@@H]2C[C@]23CCOc2ccccc23)nnc1C1CCC1 328602536 BZEPCZRIQGPVEF-YWZLYKJASA-N 352.438 3.280 30 50 FGEA CSc1ccc(-c2c(C#N)c(N)nc3c2CN(C(=O)C2CC2)CC3)cc1 71714882 MSJURAWRYPJLBH-UHFFFAOYSA-N 364.474 3.219 30 50 FGEA N#Cc1ccc(NC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c(F)c1 96151374 XADKWRJMNKYYNF-INIZCTEOSA-N 354.385 3.305 30 50 FGEA C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)NCc2ccccc2)S1)c1ccco1 5101423 RVIVQWRRTCFKMA-VRCTWVPOSA-N 370.434 3.138 30 50 FGEA Oc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c(O)c1 19773260 LMVHSTASFMGUGO-HZHRSRAPSA-N 361.445 3.403 30 50 FGEA COc1cccc(N/C(S)=N/C(N)=N/c2nc(C)c3ccccc3n2)c1 6275688 HCLMAFNRQPENFV-UHFFFAOYSA-N 366.450 3.291 30 50 FGEA CN(c1oc(-c2ccccc2)nc1C#N)S(=O)(=O)c1ccc(F)cc1 1857799169 PPXRTDZJEMDLMX-UHFFFAOYSA-N 357.366 3.177 30 50 FGEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2cc(Cl)ccc21 4842100 LQSPCIYCCGXXNK-IBGZPJMESA-N 359.784 3.472 30 50 FGEA CN(C)C(=O)c1ccc(C(=O)/C=C/c2cccc(OCCC(=O)O)c2)cc1 792922534 BDYKMZOCHJYMBY-IZZDOVSWSA-N 367.401 3.138 30 50 FGEA COc1cncc(CCCOC(=O)CSCc2ccc(C#N)cc2)c1 2325741811 ODEXLLCUYYXXJQ-UHFFFAOYSA-N 356.447 3.371 30 50 FGEA C#CCCC1(CCC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)N=N1 2325886110 QOHZQXQYVWTDHW-UHFFFAOYSA-N 361.449 3.333 30 50 FGEA N#Cc1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1 598425 GGPPBTSXFROGAE-UHFFFAOYSA-N 354.211 3.382 30 50 FGEA in-vitro CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 2069399 JJXLMDCFUJVYKL-LJQANCHMSA-N 371.433 3.322 30 50 FGEA C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(N)=O 8784549 NXIDEXQLVKVPAA-UHFFFAOYSA-N 368.462 3.082 30 50 FGEA C=CCn1c(=O)c(C(=O)NCc2ccccc2Cl)c(O)c2ccccc21 100505450 NRDWQNSYKDFMIX-UHFFFAOYSA-N 368.820 3.477 30 50 FGEA O=C(COc1ccc([N+](=O)[O-])cc1)O/N=C/c1c(F)cccc1Cl 2752451 JEZAYAJHHFAVTE-QGMBQPNBSA-N 352.705 3.343 30 50 FGEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1/C(O)=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 329247349 RRJOXWKKXGUABR-SSKHUGDLSA-N 362.514 3.241 30 50 FGEA C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)N(C)CC)nc2c1=O 72469344 NBGQWENOWAKHLA-UHFFFAOYSA-N 370.840 3.094 30 50 FGEA C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(C(=O)O)o1 238094966 RSLITRKSDQXFSQ-UHFFFAOYSA-N 369.295 3.491 30 50 FGEA Oc1c(Br)cc2oc3c(c2c1/C=N/n1cnnc1)CCCC3 1228857 MWVCIRPGMLOIAZ-KPSZGOFPSA-N 361.199 3.253 30 50 FGEA Cc1ccc(N=C(O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)cn1 328624198 CGHCPLRPCBPTIP-HNNXBMFYSA-N 359.499 3.154 30 50 FGEA CC(C)CN(CC#Cc1ccccc1)C(=O)C[C@@H]1NC(=O)c2ccccc21 63870358 PCBAYAVGDNHTAN-NRFANRHFSA-N 360.457 3.398 30 50 FGEA C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 426739078 PJQJIZUYTJRGGO-CYBMUJFWSA-N 367.836 3.181 30 50 FGEA COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 252327543 RYZNRFOSCDAQJF-UNJHPDOXSA-N 372.424 3.235 30 50 FGEA C=CC(=O)N[C@H]1CN(C(=O)C2(C)CC(=C)C2)CC[C@@H]1c1ccc(F)cc1 1875383225 LPFWDFSVTUMSQN-MSOLQXFVSA-N 356.441 3.169 30 50 FGEA N#Cc1cccc(-c2nc(COc3cccc(N4CCNCC4)c3)co2)c1 2325858649 VUZHFQBEYCZPDS-UHFFFAOYSA-N 360.417 3.202 30 50 FGEA C=CCN(Cc1ccccc1Cl)C(=O)c1ccc2c(=O)n(C)cnc2c1 55211860 CMYILLAKGGNTBI-UHFFFAOYSA-N 367.836 3.415 30 50 FGEA CCOC(=O)Cn1c(-c2ccc(Cl)cc2)cc(SC)c(C#N)c1=O 1388947 HFWDCQFZRSLNEA-UHFFFAOYSA-N 362.838 3.325 30 50 FGEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S 253499705 MOQTVGQHEGMMDS-FCGFKHEGSA-N 361.555 3.499 30 50 FGEA biogenic N#C[C@]1(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)CCc2ccccc2C1 183959442 FAOZTCKZHHGQOS-UWJYYQICSA-N 366.848 3.459 30 50 FGEA Cc1nn(-c2cccc(Cl)c2)nc1C(=O)[C@@H](C#N)c1ccc(F)cn1 225441262 HGARIIZRMNWNSJ-AWEZNQCLSA-N 355.760 3.253 30 50 FGEA CC(C)c1ccc(C#N)c(-c2ccc(C(=O)NCCCn3ccnn3)cc2)n1 584888213 APHPWNBVGIHDDB-UHFFFAOYSA-N 374.448 3.155 30 50 FGEA C=CCc1cc(OC)ccc1OCCCC(C(=O)OCC)C(=O)OCC 4845397 XIMJPOBWFVLLEL-UHFFFAOYSA-N 364.438 3.325 30 50 FGEA C=CCN1C(=O)[C@H](Cc2ccc(OC)cc2)S/C1=N/N=C/c1ccco1 4955201 IIEFQXYJVSDRSZ-XVEDWSDESA-N 369.446 3.351 30 50 FGEA C=CCN(Cc1ccc(F)cc1)C(=O)c1ccccc1NC(=O)COC 55343841 KBVSLCSUWSGCKX-UHFFFAOYSA-N 356.397 3.239 30 50 FGEA C=CCN(Cc1nc(-c2ccc(C)s2)oc1C)[C@@H]1CCS(=O)(=O)C1 20255683 AVTHSFCPMIWMGL-CQSZACIVSA-N 366.508 3.195 30 50 FGEA CCc1ccc(S(=O)(=O)N/N=C/c2ccc(Br)s2)cc1 6709672 KKILJURFJBWZNX-OQLLNIDSSA-N 373.297 3.385 30 50 FGEA CCCCCCN1CC2(CCN(Cc3cc(C#N)n(C)c3)CC2)OC1=O 72425451 BRKUKQBTYGAMDA-UHFFFAOYSA-N 358.486 3.264 30 50 FGEA CCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(OC)nc1 71779985 QIAYRTJYPUCHDC-GFCCVEGCSA-N 367.453 3.236 30 50 FGEA CCn1ccnc1[C@@H](NCc1ccc(C#N)c(OC)c1)C1CCOCC1 284666803 HKOLSLDKPVQUIW-IBGZPJMESA-N 354.454 3.041 30 50 FGEA CCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)c(O)c1 238923872 PVHZCSHYFDXMFE-UHFFFAOYSA-N 366.509 3.390 30 50 FGEA Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)C#CC(C)C 952895393 UTIUAYMXGHCLSX-LJQANCHMSA-N 369.440 3.188 30 50 FGEA N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(F)c1 4746895 YTCACSVEPLKZRL-UHFFFAOYSA-N 359.788 3.440 30 50 FGEA CC(C)/N=C(/NCCCOCC1CC1)[C@@H](C#N)C(=O)Nc1ccccc1F 225504534 VEPCSSMNZQQBSA-MRXNPFEDSA-N 374.460 3.117 30 50 FGEA N/C(=N/c1ccccc1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100313864 QQLWEXUHMQAQAR-AWEZNQCLSA-N 359.838 3.352 30 50 FGEA N#Cc1c(CNc2ccc(Br)cc2C(N)=O)cn2ccccc12 1326527321 QBTGSVVOQFTVDX-UHFFFAOYSA-N 369.222 3.284 30 50 FGEA O/C(=N/[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N[C@@H]1[C@H]2COC[C@H]21 329985368 DEYCFGLSTZRBRL-FOCJUVANSA-N 370.280 3.111 30 50 FGEA Cc1ccsc1[C@H](CNC(=O)c1ccc(C#CC(C)(C)O)cc1)N(C)C 952979922 BETGZDRLGDEMJB-SFHVURJKSA-N 370.518 3.212 30 50 FGEA N/C(=N\OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccnc1 13957889 MUQOQSMVGKVLKY-UHFFFAOYSA-N 374.611 3.284 30 50 FGEA C=CCN1C(=O)/C(=C/c2c(OC)cc(OC)cc2OC)SC1=S 15016607 OJRXTGJPBZSTJM-ZROIWOOFSA-N 351.449 3.100 30 50 FGEA Cc1ccc(CN2CCN(/N=C/c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 19800698 WJOZCFSHXAEXQC-KGENOOAVSA-N 352.438 3.363 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1ccc(C#N)cc1 328655404 YISIQCSEUSWGMU-IRXDYDNUSA-N 357.454 3.304 30 50 FGEA CCCn1nc(C)c(C(=O)Nc2nc3cc(C#N)ccc3n2CC)c1C 132006711 IUJKPBXBMIYFBC-UHFFFAOYSA-N 350.426 3.404 30 50 FGEA Fc1ccc(C#CCN2CCOC[C@@H]2c2nc(-c3cccs3)no2)cc1 376383295 GQCTYHDOEFMYIS-MRXNPFEDSA-N 369.421 3.362 30 50 FGEA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1cc(C#N)c(C)[nH]1)CC2 426361096 DEFFLOLIRHWOPJ-IRFCIJBXSA-N 366.465 3.181 30 50 FGEA CCCN1C[C@H](NC(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)CC1=O 426544435 PWVKEAXALXIDHI-GOSISDBHSA-N 365.408 3.105 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@H](CO)c1ccc(F)cc1 952971472 HBHNFDVTGQWNLY-LJQANCHMSA-N 353.393 3.182 30 50 FGEA COc1ccccc1OCCn1cc(/C=N/n2cnnc2)c2ccccc21 1185068 ZCTNDVCGVGTQGH-FSJBWODESA-N 361.405 3.203 30 50 FGEA C=CCN(CC=C)C(=O)c1cc(C(=O)N(CC=C)CC=C)c(C)nc1C 634404 GFIJHFKKYDQJEV-UHFFFAOYSA-N 353.466 3.327 30 50 FGEA C=CCn1c(SCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 2217866 NNYKYWOUQNTTLN-UHFFFAOYSA-N 364.515 3.452 30 50 FGEA C=CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccncc1 6908211 AIQPZTJYAPCEBT-UHFFFAOYSA-N 365.462 3.281 30 50 FGEA CCOc1cccc(C/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(CCOC)c2)c1 328626509 LUFPDDOHRBFGQX-RBUKOAKNSA-N 373.453 3.163 30 50 FGEA N#Cc1nc(NC(=O)NCCC[C@H]2CC2(F)F)ccc1Br 2325809290 YNHKIACIHQEPQF-QMMMGPOBSA-N 359.174 3.273 30 50 FGEA N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 21844066 QYAOQLLXSFQUEP-MRXNPFEDSA-N 351.381 3.188 30 50 FGEA C[C@H](/C(O)=N/[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1OCCc2sccc21 328991110 DDSVKJVOLFHBKO-TVFIUFHYSA-N 351.468 3.293 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)o1 952980035 QETUDMMSRFHYPF-SFHVURJKSA-N 366.461 3.425 30 50 FGEA CN(C)Cc1ccc([C@@H]2CCCN2Cc2cc(C#CCO)cs2)cc1 1506420412 DHHCEGUFQFQURX-NRFANRHFSA-N 354.519 3.491 30 50 FGEA N#Cc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 18179415 ZNMATKOVADNDDE-UHFFFAOYSA-N 360.402 3.109 30 50 FGEA CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 5445505 YXRWCDKBXRLIEF-OAHLLOKOSA-N 372.764 3.456 30 50 FGEA C[C@H](Cc1ccc(F)c(Br)c1)/N=C(/O)N1CC[C@H](CCO)C1 331118203 LISNIRKCSOAWJX-VXGBXAGGSA-N 373.266 3.138 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)N=N1 2325892572 SDJSGJOZDFHJQU-UHFFFAOYSA-N 361.405 3.050 30 50 FGEA COc1ccc2cc(-c3cc(-c4cnc(N)nc4)c(C#N)c(N)n3)ccc2c1 67447043 QSZRFUYFSPEXAC-UHFFFAOYSA-N 368.400 3.403 30 50 FGEA Cc1cncc(N=C(O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)c1 328637837 OWIGFWOEFRVHRS-INIZCTEOSA-N 368.485 3.363 30 50 FGEA N#Cc1cccnc1N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72127317 VLZFYNTWYWVZRT-VAMGGRTRSA-N 366.415 3.298 30 50 FGEA CCOC1(NC(=O)c2ccc(Br)cc2)C(C)=CC(=O)C=C1C 951362 WQNFNUBRGOMANO-UHFFFAOYSA-N 364.239 3.387 30 50 FGEA C=C[C@](C)(O)CCC[C@H](C)C(=O)NCc1ccc(-c2noc(C)n2)cc1 2325806722 CDZZVZGAYZRIFK-XOBRGWDASA-N 357.454 3.405 30 50 FGEA COc1ccc(-c2csc(NC(=O)c3ccnn3C)c2C#N)cc1OC 2807503 DKOJLROUZXTEAN-UHFFFAOYSA-N 368.418 3.290 30 50 FGEA CC(=O)n1nc(B2OC(C)(C)C(C)(C)O2)c2ccc(C(F)(F)F)cc21 169988731 RBPHKLHFRWOSPX-UHFFFAOYSA-N 354.137 3.014 30 50 FGEA Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 4755638 JMVVMUJNKKLJDD-XKYMITNMSA-N 372.475 3.007 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(c3cc([C@@H]4CCCO4)n[nH]3)CC2)N=N1 2325898672 RXXZPDQHYOTLEM-SFHVURJKSA-N 369.469 3.323 30 50 FGEA N#Cc1cn(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc12 4622606 YMDQVOOOTYMCOM-UHFFFAOYSA-N 353.809 3.362 30 50 FGEA C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl 22339115 PGQGGNDQUQDCRM-UWVGGRQHSA-N 352.645 3.300 30 50 FGEA C=CCN1CCC[C@@H]1C(=O)NCc1cccnc1Oc1ccccc1F 67947544 BLPBTBAJNDECCX-QGZVFWFLSA-N 355.413 3.280 30 50 FGEA CC(C)CCN1C[C@]2(CCCN(C(=O)c3cccc(C#N)c3)C2)CCC1=O 77423475 QCIHWZCZRCCKGG-QFIPXVFZSA-N 367.493 3.449 30 50 FGEA COc1ccc2c(c1)OC[C@H](N/C(O)=N/C[C@@H]1[C@@H]3Cc4ccccc4[C@@H]13)C2 328977637 BZZYHXLVZHYNEJ-MYKSZAICSA-N 364.445 3.088 30 50 FGEA C=CCc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCCCC2)ccc1OC 426724008 PUYJZVSMEGGZQN-SFHVURJKSA-N 356.466 3.041 30 50 FGEA COc1c2c(cc3c1[C@H](CC(=NO)c1ccccc1)N(C)CC3)OCO2 252693579 FBWKJYJCSSZORR-INIZCTEOSA-N 354.406 3.222 30 50 FGEA biogenic CC/N=C(\NCC)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 5016356 MOULLKWMCFPVHE-GFCCVEGCSA-N 374.293 3.344 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(F)cc1 13552882 LLFPEUDPVVVTBM-KRWDZBQOSA-N 373.380 3.342 30 50 FGEA N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)o1 331395223 FVKFZMGVUWNQCK-CYBMUJFWSA-N 350.827 3.200 30 50 FGEA C[C@@H]1CC[C@H](c2cccs2)N(Cc2cc(O)n3ncc(C#N)c3n2)C1 2325873780 TWFAIUYRNJLGJO-IUODEOHRSA-N 353.451 3.341 30 50 FGEA N#Cc1c(N)nc2c(c1-c1cccc(Cn3cccn3)c1)N1CCC2CC1 105613103 VNPQJEFGBMKBOY-UHFFFAOYSA-N 356.433 3.145 30 50 FGEA N#Cc1cccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)n1 72428907 JNVCSDNVGOMYRZ-QFIPXVFZSA-N 360.461 3.362 30 50 FGEA Cc1sc(NC(=O)[C@@H](N)CCCC#N)nc1-c1c(F)cc(F)cc1F 424148449 ZZLMILHSZNUQCS-LBPRGKRZSA-N 368.384 3.496 30 50 FGEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 2775770 QDCUAWKINXNOQS-SFHVURJKSA-N 361.463 3.296 30 50 FGEA COc1ccnc(/N=C\NOCc2cccc(C(F)(F)F)c2)c1C#N 13147107 RXRZOYMBIKOYFN-UHFFFAOYSA-N 350.300 3.362 30 50 FGEA CN1CCN(CCCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 244723696 MFPXRJGGZCHGTP-OAQYLSRUSA-N 362.477 3.266 30 50 FGEA CC(C)c1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 32575686 SLGHZJVKPGXWTO-ZDLGFXPLSA-N 352.843 3.481 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1F 6786147 LAFVXCLBKULGFF-INIZCTEOSA-N 359.353 3.034 30 50 FGEA COc1cccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)c1OC 22200067 FMIJDLISZMWWIM-PXLXIMEGSA-N 353.466 3.164 30 50 FGEA O=C(CN1C=C/C(=C2/C=CC=[S+]2)N=C1)c1cccc(Br)c1 328579906 NFFCOYYDTYCKDM-JQIJEIRASA-N 360.256 3.156 30 50 FGEA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 5918452 FINPHJSROLJOHU-HXUWFJFHSA-N 360.417 3.083 30 50 FGEA N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=NC[C@H]1NCCc2ccccc21 2325857427 AXHFUBFDXQIYKD-MRXNPFEDSA-N 368.362 3.245 30 50 FGEA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C(\N)c1ccccn1 4804244 NORCYDZQSUIDRY-SECBINFHSA-N 354.193 3.019 30 50 FGEA C=C(C)COc1c(CNCc2noc([C@@H]3CCCO3)n2)cccc1OC 55343641 PBCDKIXNYOGIGX-INIZCTEOSA-N 359.426 3.174 30 50 FGEA C=CCn1c(=O)c(CC(=O)Nc2cccc(OC)c2)c(O)c2ccccc21 100706528 DWDIMIMPHLFVEH-UHFFFAOYSA-N 364.401 3.083 30 50 FGEA O=S(=O)(O/N=C1/CCCc2occc21)c1ccc(Br)cc1 6221852 RKKJYINLWHCEBK-SSZFMOIBSA-N 370.224 3.488 30 50 FGEA CCn1cc(C(=O)/C=C/c2ccc(OC)c(Cn3cccn3)c2)c(C)n1 6490229 JEHZUCDQICEFTO-SOFGYWHQSA-N 350.422 3.361 30 50 FGEA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C#N)nc3)CC2)C1 95371863 XFZVPQRRPCVVKD-FQEVSTJZSA-N 374.488 3.295 30 50 FGEA CC1(C)OB(c2cc(Cl)cc(I)c2)OC1(C)C 169982945 UPLYDXJRCRVGLV-UHFFFAOYSA-N 364.419 3.244 30 50 FGEA Cc1ccncc1N/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328643352 YURLAJIGCZPUMF-LLVKDONJSA-N 353.348 3.194 30 50 FGEA Cc1ocnc1C/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 328602709 CIXLYHYMTAHMLE-FUHWJXTLSA-N 352.394 3.403 30 50 FGEA CC1(C)OB(c2cccc(NC(=O)NCc3ccccc3)c2)OC1(C)C 394927909 HUQWYLPUKWWUJV-UHFFFAOYSA-N 352.243 3.308 30 50 FGEA N#Cc1cnnc(N2C[C@@]34CCCC[C@]3(CN(Cc3ccccc3)C4)C2)c1 1875347382 NCPWOVFXZBXESJ-VXKWHMMOSA-N 359.477 3.231 30 50 FGEA Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]2(CC=CCC2)C1 114436450 SVCITJYXBFOTCQ-NRFANRHFSA-N 353.466 3.145 30 50 FGEA C=CCSc1nnc([C@@H]2CCCN(Cc3cc(OC)ccc3O)C2)n1C 20781612 GTOSWIQBDRZIQT-CQSZACIVSA-N 374.510 3.187 30 50 FGEA CNC(=O)c1ccc(/C=C/C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1 170619909 KEEKKQLBQXWKNB-VZUCSPMQSA-N 360.417 3.144 30 50 FGEA C=CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)N(C)C2CCCCC2)c1=O 14968827 PQQWOMGJVCUKNF-OAHLLOKOSA-N 373.497 3.140 30 50 FGEA C#CCCC1(CCC(=O)N2CCCCCCNC(=O)[C@H]3CCC[C@H]32)N=N1 1875368739 MXNOQAMKQOKCRA-DLBZAZTESA-N 358.486 3.030 30 50 FGEA C=CCN(Cc1ccccc1C)C(=O)Cc1ccc(-n2nnnc2C)cc1 65409215 IJFAOGKNQNGXFD-UHFFFAOYSA-N 361.449 3.036 30 50 FGEA COc1ccc(C(=O)[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc1OC 71776407 SYJWKCLSMCKGLP-MRXNPFEDSA-N 351.406 3.070 30 50 FGEA C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 245225893 YRCAGXDMMKPGNP-NTODXPRQSA-N 359.809 3.046 30 50 FGEA Cc1c(CN2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)cc(C#N)n1C 1565513478 FBAIRTWOUZGJHO-AVRDEDQJSA-N 374.532 3.269 30 50 FGEA C=CC[C@H]1CC=C[C@H](C)N1Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 1616097289 WEQDIZJATGKTIP-ZFWWWQNUSA-N 364.873 3.308 30 50 FGEA Cc1cc(C)cc(NC(=S)N/C(N)=N/c2nc(C)c3ccccc3n2)c1 13483328 IXWXKNCTHPRSHH-UHFFFAOYSA-N 364.478 3.488 30 50 FGEA aggregator C#CCCC1(CCC(=O)NC2(c3ccc(F)cc3F)CCOCC2)N=N1 952879321 DAJUEAGAUDHJIL-UHFFFAOYSA-N 361.392 3.442 30 50 FGEA C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2ccccc2oc1=O 4953628 XIECWUPLSHNWQI-ZDLGFXPLSA-N 368.305 3.446 30 50 FGEA N#Cc1ccccc1-c1ccc(-c2cn(Cc3nnc4ccccn34)nn2)o1 95385811 BLTXMUPAFHRJNE-UHFFFAOYSA-N 367.372 3.168 30 50 FGEA C[C@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1ccc2c(c1)OCCCO2 1506396657 VXASFFSUXXJRJH-AWEZNQCLSA-N 369.417 3.054 30 50 FGEA C[Si](C)(C)[Si](C(=O)OS(C)(=O)=O)([Si](C)(C)C)[Si](C)(C)C 169794785 CYFZXQXHSXLCGP-UHFFFAOYSA-N 370.768 3.363 30 50 FGEA COc1ccc2nc(N3C[C@H](Cn4cnnc4)C4(CCC4)C3)c(C#N)cc2c1 1875404681 QPNVNMYOABCDHE-KRWDZBQOSA-N 374.448 3.013 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc(OCCn3cccn3)c2)N=N1 2325892251 GDPJSYZPKUSYFJ-UHFFFAOYSA-N 351.410 3.256 30 50 FGEA C=CCN(Cc1ccc(C)s1)C(=O)Cc1ccc(-n2nnnc2C)cc1 55153849 XLZSUXMRODYHNP-UHFFFAOYSA-N 367.478 3.098 30 50 FGEA Cc1cnn([C@@H]2CCN(/C(O)=N/[C@H](C)[C@@H]3OCCc4sccc43)C2)c1 330266768 QDGNHCXBBFPJIY-CPUCHLNUSA-N 360.483 3.116 30 50 FGEA Cn1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1C#N 490537551 BZEJBZAKJVYKBG-CYBMUJFWSA-N 351.376 3.029 30 50 FGEA COc1ccc(NC(=O)N2CCCC[C@H]2CCn2cccn2)cc1C#N 96131621 INIWMJHZDGLTSS-KRWDZBQOSA-N 353.426 3.240 30 50 FGEA FC(F)(F)c1nnc(S)n1/N=C/c1ccc(Br)cc1 1170356 MITIYKJRGYHLCO-PJQLUOCWSA-N 351.151 3.230 30 50 FGEA C[C@@H](C#N)Oc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 124582379 XMKGICCRXMDBQE-CVEARBPZSA-N 359.470 3.419 30 50 FGEA C[C@@](C#N)(NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2o1)C1CC1 332945245 NOOYWUVCTLMSNW-UZLBHIALSA-N 352.438 3.163 30 50 FGEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCC(C)C)C2 14531209 HYXVQNDZZMWSOU-QGZVFWFLSA-N 358.530 3.188 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 4832431 QSXOGPSDFHZGDN-ZDUSSCGKSA-N 374.462 3.357 30 50 FGEA C=CCN(Cc1cccnc1)C(=O)[C@H]1CCCN1C(=O)C1CCCCC1 55325996 GMUIYFHSJQGTKG-LJQANCHMSA-N 355.482 3.168 30 50 FGEA C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=S 100337790 QRVUAXXYZRVWER-OWBHPGMISA-N 350.490 3.453 30 50 FGEA COc1ccccc1OC1CCN(C(=O)c2cc(F)cc(C#N)c2)CC1 77407710 ZFPGVUKYSLGXRA-UHFFFAOYSA-N 354.381 3.390 30 50 FGEA COc1ccc([C@H]2O[C@@]34CCCC[C@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 239439230 ZPXPMXLZTDRJBW-LNKGRISISA-N 362.389 3.204 30 50 FGEA CC(C)C[C@H](NC(=O)c1cccc(-c2cccnc2C#N)c1)c1ncnn1C 299773712 FEXXVFGBYUREOJ-SFHVURJKSA-N 374.448 3.266 30 50 FGEA Cn1ccc2ccc(C(=O)N3CCCN(Cc4ccccc4C#N)CC3)cc21 1772706767 VKARQVACHOUMDI-UHFFFAOYSA-N 372.472 3.398 30 50 FGEA Oc1c(Cl)cc(Cl)cc1/C=N/N=c1nc(-c2cccnc2)[nH]o1 1875350407 LOVSHUBYPPAXGQ-CNHKJKLMSA-N 350.165 3.012 30 50 FGEA CC[C@@H](C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1)c1ccccc1 9184037 XIPNCYFXMODNJJ-QGZVFWFLSA-N 360.421 3.283 30 50 FGEA N#Cc1ccc(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)cn1 67713486 VAVKGJKPOPSZSI-UHFFFAOYSA-N 366.327 3.349 30 50 FGEA O=C1COCCN1C/C(O)=N/CC1(c2ccc(F)cc2Cl)CCCC1 329878926 LNQCPJWJUQQRKM-UHFFFAOYSA-N 368.836 3.106 30 50 FGEA C#C[C@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)[C@H]1CCCO1 239761399 CJVBMIPENOLHNQ-LEWJYISDSA-N 364.445 3.218 30 50 FGEA O=C(CCNC1=C(Cl)C(=O)c2ccccc2C1=O)Oc1ccccc1 100182676 ASIMEPHOPBZYLK-UHFFFAOYSA-N 355.777 3.101 30 50 FGEA C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cccnc1 12380992 KNZQWESDJXBWCV-NSHDSACASA-N 372.479 3.102 30 50 FGEA Cc1ccc(CN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1F 1875262698 JRKIXDXLTBRIHC-UHFFFAOYSA-N 366.440 3.276 30 50 FGEA N#C[C@]1(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)CCc2ccccc2C1 183959407 FAOZTCKZHHGQOS-UTKZUKDTSA-N 366.848 3.459 30 50 FGEA COc1cc(/C=N/n2c(S)nnc2-c2ccccc2Cl)ccc1O 1478744 IOSJUBUBSXEPHS-GIJQJNRQSA-N 360.826 3.484 30 50 FGEA N#CCCN1CCN(c2nc(C(F)(F)F)c(Cl)cc2Cl)CC1 2325867790 GAAGBOVAEFFPGV-UHFFFAOYSA-N 353.175 3.443 30 50 FGEA Cn1c(NN=Cc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 254866734 QTFQLSUIMZHPCH-UHFFFAOYSA-N 368.462 3.292 30 50 FGEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 8336827 UHNBUCOEFJDJAP-FQEVSTJZSA-N 374.444 3.392 30 50 FGEA COc1ccc(-c2cc(-c3ccoc3)c(C#N)c(N)n2)c(OC)c1OC 67852318 BBJVNOGYFGNJQW-UHFFFAOYSA-N 351.362 3.488 30 50 FGEA COc1ccc(O)cc1-c1cc(-c2ccc3c(c2)OCO3)nc(N)c1C#N 67833598 YLQKVPAWDFAWFO-UHFFFAOYSA-N 361.357 3.312 30 50 FGEA Cc1cc(O)ccc1-c1cc(-c2ccc(OCCO)cc2)c(C#N)c(N)n1 71575110 CCZQLQPIYGJDLS-UHFFFAOYSA-N 361.401 3.255 30 50 FGEA Cc1ccc(OCC(=O)O/N=C(\N)c2ccccc2)c(Br)c1 4170151 MZTWLEGXEKLTTP-UHFFFAOYSA-N 363.211 3.000 30 50 FGEA C=C(C)Cn1c(=S)[nH]c2ccc(I)cc2c1=O 5457039 CBSPSPAOTCOKBF-UHFFFAOYSA-N 358.204 3.240 30 50 FGEA CC/N=C1\S/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)N1CC 12513867 TUEKESDIBHUJCX-CJGMICOPSA-N 359.495 3.144 30 50 FGEA CSC1=C(C(=O)N2CCCN(c3ncccc3C#N)CC2)CCCC1 2325803172 VKDNYUXEJRRDID-UHFFFAOYSA-N 356.495 3.183 30 50 FGEA N#C[C@]1(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)CCc2ccccc2C1 248768617 VJAUDXNKACHWSL-YDHSSHFGSA-N 374.440 3.129 30 50 FGEA CCn1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cn1 2775613 AHRDRBIBJCQIKO-JTQLQIEISA-N 373.507 3.088 30 50 FGEA COC(=O)c1nsc(N=C(O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 328595629 ZMSICZJLQPCDAU-SSDOTTSWSA-N 368.396 3.002 30 50 FGEA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)C1(C#N)CCCCC1)CC2 275489332 AKOMDAIWFZKHFP-INIZCTEOSA-N 372.538 3.430 30 50 FGEA CCN1CCC(N2CCC(/C(O)=N/Cc3ccc(COC)cc3)CC2)CC1 328592721 RTPHWXCTHPFRIX-UHFFFAOYSA-N 373.541 3.486 30 50 FGEA COc1ccc(N/N=C(/C(=O)c2ccccc2)C(=O)C(F)(F)F)cc1 100364194 UMCLMOTYOIYUPI-HMAPJEAMSA-N 350.296 3.477 30 50 FGEA CC(C)N1[C@H]2CC[C@H]1CN(/C(O)=N/[C@@H]1CCc3cnn(C(C)C)c3C1)CC2 330077559 FGLOMFHQRZTAGX-QYZOEREBSA-N 373.545 3.182 30 50 FGEA CC(C)(C)c1ncc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)s1 170645606 NYAAMHOYEVQTAR-SBDDDAINSA-N 354.435 3.196 30 50 FGEA CC[C@@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)c2C#N)C1 13322472 KUIIAAFIFVHUFW-MELADBBJSA-N 361.511 3.182 30 50 FGEA C=CCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21 13774381 KCRCLVBCUSHACV-NXVVXOECSA-N 353.447 3.046 30 50 FGEA C=CCCC(=O)NCc1nnc(SCc2ccncc2)n1CC(C)C 15071526 UMUXJPJCTQCKDP-UHFFFAOYSA-N 359.499 3.204 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)N=N1 2325892310 IPSMNISZLKRTKT-UHFFFAOYSA-N 366.465 3.072 30 50 FGEA CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O[C@@H](C)C(=O)O 1177245 UIRYZYUGYZPXBC-LBPRGKRZSA-N 366.369 3.400 30 50 FGEA biogenic O=C(C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 3124321 DSNFOHUNYWABOD-UHFFFAOYSA-N 351.357 3.495 30 50 FGEA C[C@H](O)CCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 64857633 RXYQCXVUMLSFHM-YDJVRDNKSA-N 350.455 3.027 30 50 FGEA in-vitro Cc1ccc([C@@H]2OCCC[C@@H]2/N=C(/O)N2C[C@H](C)O[C@]3(CCOC3)C2)cc1 329998947 TWRPPQZONJDCEM-MCNSAMFCSA-N 374.481 3.009 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1cccnc1)O2 136708058 HTIUHCFSDHKOSC-VGUOSERISA-N 369.384 3.204 30 50 FGEA C=CCc1cc(C(=O)N2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)ccc1OC 299780143 MICCDJATFFYQAJ-SLYNCCJLSA-N 359.466 3.222 30 50 FGEA CCc1ncsc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328637599 WBIXDFHLRUZUGJ-VIFPVBQESA-N 358.389 3.488 30 50 FGEA C#CCCC1(CCOc2cn(-c3ccccc3)nc2C(=O)OCC)N=N1 2325899623 OPGKFPMTRUICNO-UHFFFAOYSA-N 352.394 3.393 30 50 FGEA C=CC(=O)Nc1cc(NC(=O)Cc2ccc(OCC#N)cc2)ccc1F 136565208 OHTZUNDZRVAVCK-UHFFFAOYSA-N 353.353 3.034 30 50 FGEA COc1ccc(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)c(F)c1 67587188 MPXVBYMGWJDRPM-UHFFFAOYSA-N 351.337 3.428 30 50 FGEA CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1cccc(Cn3cccn3)c1)C2 67852289 NPFYFQOPNCIXLV-QFBILLFUSA-N 370.460 3.139 30 50 FGEA N#Cc1ccc(-n2cccc2CN2CCC[C@@H](CN3CCCC3=O)C2)cc1 71405578 VDCIZYSFHLYYLL-LJQANCHMSA-N 362.477 3.183 30 50 FGEA CC1(C)OB(c2cccc(B3Nc4cccc5cccc(c45)N3)c2)OC1(C)C 169810219 DUHMHQCZFHLKDR-UHFFFAOYSA-N 370.070 3.372 30 50 FGEA in-vitro C=CCOc1cccc(NC(=O)N[C@](C)(CC(=O)OC)c2ccncc2)c1 170609702 XKERWOBKDYPLHF-HXUWFJFHSA-N 369.421 3.246 30 50 FGEA CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 5680401 KVLNWIKVQOEIQO-WOJGMQOQSA-N 368.422 3.464 30 50 FGEA Cc1c(NC(=S)Nc2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C 1062533 YITLWOUAXFFWPY-UHFFFAOYSA-N 363.446 3.165 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 5013476 ZKVFCURALYZFQV-KRWDZBQOSA-N 355.365 3.050 30 50 FGEA CC/C(Nc1ccc(OC)cc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100157951 HGKUOAMKEACCON-FYPAKXHLSA-N 359.422 3.129 30 50 FGEA C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1cc(Cl)ccc1C#N 2794766 GVTIRHAHGBOTEV-VIFPVBQESA-N 367.634 3.445 30 50 FGEA C=C(C)COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 219788981 UWUKMKGYZAJCHC-YRNRMSPPSA-N 352.434 3.279 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)o1 952968767 GGWLDRDYAWDCTN-IBGZPJMESA-N 367.445 3.223 30 50 FGEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12576053 MOEGDIHLXCKGEM-FQEVSTJZSA-N 362.420 3.272 30 50 FGEA Cc1cc(C)c(I)c(B2OC(C)(C)C(C)(C)O2)c1 169983310 YSSQFRDUFKUVNY-UHFFFAOYSA-N 358.028 3.207 30 50 FGEA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccc(C#N)cc1F)CC2 1857698343 MITVTESRTZJIMN-UHFFFAOYSA-N 374.419 3.339 30 50 FGEA COC(=O)c1ccccc1NC(=O)CSc1nc(C)cc(C)c1C#N 878207 PMDFVBGKOGWVJX-UHFFFAOYSA-N 355.419 3.088 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 5013474 ZKVFCURALYZFQV-QGZVFWFLSA-N 355.365 3.050 30 50 FGEA N#Cc1cnn2c1N[C@H](c1ccc3c(c1)OCCO3)C[C@H]2C(F)(F)F 2766549 WFBGFAZTZNQVQP-FZMZJTMJSA-N 350.300 3.186 30 50 FGEA COc1ccc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c(OC)c1OC 67431776 KEIINRURWGFKPE-UHFFFAOYSA-N 362.389 3.290 30 50 FGEA Cc1cc(NC2CCN(c3ncccc3C#N)CC2)n2nc(C)c(C)c2n1 72424558 SWKCAQQZLCPAQI-UHFFFAOYSA-N 361.453 3.002 30 50 FGEA C=CCOc1ccccc1C(=O)N1CCN(c2ccccc2C)C(=O)C1 82120345 MOLRBZLGKWBLAV-UHFFFAOYSA-N 350.418 3.049 30 50 FGEA N#Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](C(N)=O)C3)c2)cc1Cl 426547574 GTOTYLXTWFCDOS-KRWDZBQOSA-N 367.836 3.216 30 50 FGEA COc1ccc([C@H](C(=O)O)N2CCC(C#N)(c3ccccc3)CC2)cc1 1506422712 SKLJBPBELZBUQK-LJQANCHMSA-N 350.418 3.378 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(C)CC(C)C)C2 14535863 SAEOZOCYTHIUBW-QGZVFWFLSA-N 358.530 3.140 30 50 FGEA CCc1nc(SCc2cccc(Br)c2)[nH]c(=O)c1C#N 5238892 FFDRWORPFUZCEJ-UHFFFAOYSA-N 350.241 3.259 30 50 FGEA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(O)=Nc1nc2ccsc2s1 328999437 GKVJQAUYWWPGHV-RAIGVLPGSA-N 367.496 3.419 30 50 FGEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@H]1CCCC[C@@]1(O3)O[C@@H]2c1ccc(F)cc1 137387403 ONZVTWDZJYEHLS-PXHWLCEJSA-N 350.353 3.223 30 50 FGEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)cc1 92078849 SKAKWNMVAVELLI-LJQANCHMSA-N 371.444 3.218 30 50 FGEA C=CCN1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95521679 KDPYKSYEJJGGNS-NRFANRHFSA-N 355.526 3.009 30 50 FGEA C=CCN1C(=O)N=C(O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 842754 LLPOHAFEXLIOCN-JLHYYAGUSA-N 367.317 3.343 30 50 FGEA Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(Br)cc1 6062863 CYJNJENOHISKDR-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCCc3ncccc32)CC1 2325780575 WEIGEWBNQCWHGI-LJQANCHMSA-N 360.461 3.112 30 50 FGEA C#CCCC1(CCC(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)N=N1 2325894440 PDRCYLMQIYHVFV-PMACEKPBSA-N 364.493 3.323 30 50 FGEA C=CCOc1ccccc1CN1CCN(Cc2cccs2)[C@H](CCO)C1 20452574 XSYJURNRLYTCPP-LJQANCHMSA-N 372.534 3.382 30 50 FGEA N#Cc1cnn2c1N[C@@H](c1ccc3c(c1)OCCO3)C[C@@H]2C(F)(F)F 2766550 WFBGFAZTZNQVQP-BXUZGUMPSA-N 350.300 3.186 30 50 FGEA C=CCNC(=O)CSc1nnc([C@@H]2C[C@@H]2c2ccc(C)cc2)n1CC 2793358 YQBWSZDPVBWEHZ-HZPDHXFCSA-N 356.495 3.272 30 50 FGEA CC[C@@H]1CCc2c(sc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C#N)C1 34066580 KUIIAAFIFVHUFW-MGPQQGTHSA-N 361.511 3.182 30 50 FGEA N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)n[nH]3)C2)cc1 169754209 RBGAIJOKNYABEN-OAHLLOKOSA-N 363.446 3.019 30 50 FGEA Cn1ccnc1C(F)(F)C(=O)Nc1ccc(OC2CCCC2)c(C#N)c1 2325786714 XNUURIOZICFETL-UHFFFAOYSA-N 360.364 3.344 30 50 FGEA Cc1nc(N=C(O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)oc1C 328624567 CNJYBPPXXLQLLO-OAHLLOKOSA-N 372.473 3.265 30 50 FGEA O=S(=O)(N/N=C\c1cnc2ccccc2n1)c1ccc2ccccc2c1 17074540 JOUGHIOIPYKPFV-BKUYFWCQSA-N 362.414 3.095 30 50 FGEA COC(=O)c1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc1 244646853 GQFIKYMLFYTYDM-UHFFFAOYSA-N 357.841 3.283 30 50 FGEA CNc1cc([N+](=O)[O-])ccc1N/C=C\C(=O)c1ccc(OC)cc1OC 5048122 QAWRDTLQOLMSEC-HJWRWDBZSA-N 357.366 3.462 30 50 FGEA N#CC1(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCC3=CCCCC3)C2)CC1 217007514 RBVIGNJTUSOQHQ-MSOLQXFVSA-N 355.482 3.020 30 50 FGEA N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 12864481 FWWUSIKORJHTJF-UHFFFAOYSA-N 351.381 3.188 30 50 FGEA Cc1cc(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)nc(C)c1C#N 1857716233 COPJOTKVYLOMCQ-DYESRHJHSA-N 358.445 3.158 30 50 FGEA CCn1nccc1[C@@H]1OCCC[C@H]1CNCc1ccc(OC)c(C#N)c1 850221516 KPMHVYKPQIEIDV-OXJNMPFZSA-N 354.454 3.041 30 50 FGEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CCC(CO)(c2ccccc2)CC1 2325807798 SYPLVRZTPFFGOC-WIYYLYMNSA-N 359.510 3.283 30 50 FGEA C#CCCC1(CCNC(=O)COc2ccc(Oc3ccccn3)cc2)N=N1 2325891183 WENCVWCMTDSFNG-UHFFFAOYSA-N 364.405 3.335 30 50 FGEA CCn1ncc(Br)c1C(=O)Nc1sc(C)c(C)c1C#N 2761969 CEUWIDPAGSRGQG-UHFFFAOYSA-N 353.245 3.468 30 50 FGEA OCC#Cc1ccc(-c2nccn2C[C@H]2CCc3ccccc3O2)s1 71707847 XHTFZKQSMZGJQS-MRXNPFEDSA-N 350.443 3.349 30 50 FGEA CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 5445538 YXRWCDKBXRLIEF-HNNXBMFYSA-N 372.764 3.456 30 50 FGEA O=C(C#Cc1ccccc1)N1CCC[C@@](CO)(Cc2ccccc2F)C1 12430932 XLQDYQMEQQFETG-JOCHJYFZSA-N 351.421 3.021 30 50 FGEA CCN/C(S)=N\C(=N\c1ccc(OC)cc1)Nc1nc(C)cc(C)n1 13635757 YMCGAWKAIDYMTC-UHFFFAOYSA-N 358.471 3.097 30 50 FGEA CNC(=O)CC1CCN(/C(O)=N/Cc2cc(Cl)sc2Cl)CC1 330636825 VKQLCBUNGIREDK-UHFFFAOYSA-N 364.298 3.317 30 50 FGEA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(C(F)(F)F)c2F)C1 379021603 BHQOQQRTAKHIOB-OIBJUYFYSA-N 358.257 3.339 30 50 FGEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)Cc1ccccc1Cl 82166513 XKLRBGUTJUKCFL-CQSZACIVSA-N 367.836 3.018 30 50 FGEA COc1ccc(COc2cc(C#N)cc(B3OC(C)(C)C(C)(C)O3)c2)cc1 390835890 PLCZAJGZPMTJDL-UHFFFAOYSA-N 365.238 3.445 30 50 FGEA CC(C)Cn1cncc1CNC(=O)CC1=C(c2ccccc2)CCC1=O 827801479 KABMXESZVPXRKQ-UHFFFAOYSA-N 351.450 3.362 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1[N+](=O)[O-] 100505382 CGNRGBIADYYMNW-QGZVFWFLSA-N 370.405 3.372 30 50 FGEA Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc2c(c1)OCO2)CCCC3 22019009 YJZFORDQQXFBAI-AWQFTUOYSA-N 367.430 3.256 30 50 FGEA C=CCn1c(-c2c(-c3ccccc3)ncn2CC(N)=O)nc2ccccc21 65383000 QZLGCGLYUNEEGJ-UHFFFAOYSA-N 357.417 3.238 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)N=N1 2325891139 SPAZCRAVXYBPLA-QGZVFWFLSA-N 366.465 3.047 30 50 FGEA C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@@H](C(C)C)OC2 8829819 NMEBEDOEVDFWOZ-LBPRGKRZSA-N 368.524 3.495 30 50 FGEA N#Cc1ccc(NC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c(F)c1 96151375 XADKWRJMNKYYNF-MRXNPFEDSA-N 354.385 3.305 30 50 FGEA O=C(C#C[C@@H]1CCCOC1)N[C@@H](c1ccncc1)c1cc2ccccc2o1 1875274261 ZSAPNTSSNVCPDI-AOMKIAJQSA-N 360.413 3.463 30 50 FGEA COc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 4738149 SPKHEQRHPVZIPW-RCCKNPSSSA-N 366.469 3.132 30 50 FGEA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(C#N)c(O)nc3C)C2)c1 72479587 HVNHAWXYJMWXCD-MRXNPFEDSA-N 365.433 3.207 30 50 FGEA C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 245225894 YRCAGXDMMKPGNP-PPLBCVRQSA-N 359.809 3.046 30 50 FGEA COc1ccc(/C=C/C(=O)C2CC2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 1213354 DGJWKPZXDNGUBH-XBXARRHUSA-N 355.394 3.457 30 50 FGEA NC(=S)N/N=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1 1446664 ZMCLZCMLWZFVPH-CEWXCCTESA-N 359.838 3.126 30 50 FGEA CCCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(F)cc1Br 1875390294 ILMTUANEKLEJSZ-LBPRGKRZSA-N 355.207 3.217 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1220327 FGNVVWUAUZLCLH-KRWDZBQOSA-N 352.346 3.392 30 50 FGEA CO[C@@H](c1ccccc1)[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 225621690 LZIKESMCKJDGFR-IIBYNOLFSA-N 350.466 3.288 30 50 FGEA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCC(C#N)CC2)c1 91586919 YVHMCUBLDLUTFD-UHFFFAOYSA-N 356.422 3.028 30 50 FGEA COC(=O)c1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1 244816761 SNXKIOJYGMAVFF-UHFFFAOYSA-N 365.477 3.242 30 50 FGEA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)C#CC(C)C 952895335 UGVHHMYTVWNCFP-IBGZPJMESA-N 351.450 3.048 30 50 FGEA CCOC(=O)c1sc(NC(=O)CSc2ccccn2)c(C#N)c1C 803929 SMRXUTBKXYRPDQ-UHFFFAOYSA-N 361.448 3.231 30 50 FGEA Cc1cncc(N=C(O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)c1 328626280 LMOBKYVWTCGUMG-OAHLLOKOSA-N 359.430 3.199 30 50 FGEA COc1cc(OC)c(/C=N/c2cccc(C(N)=O)c2)cc1Br 647462 YQCWHMIHOLKRKR-DJKKODMXSA-N 363.211 3.316 30 50 FGEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2)C1 12597100 YVHOZIWCSZLHAH-JOCHJYFZSA-N 372.509 3.485 30 50 FGEA CC(C)N1[C@H]2CC[C@H]1CN(/C(O)=N/[C@H]1CCc3cnn(C(C)C)c3C1)CC2 330077558 FGLOMFHQRZTAGX-FHWLQOOXSA-N 373.545 3.182 30 50 FGEA CCc1nccn1[C@@H]1CCCN(/C(O)=N/[C@@H]2COc3c(C)cccc3C2)C1 329646755 ZZSGQEXQGBLDQI-ZWKOTPCHSA-N 368.481 3.309 30 50 FGEA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)c1ccccc1C#N)CC2 426727515 QLIDBVCLKJJRPJ-SLYNCCJLSA-N 354.450 3.137 30 50 FGEA CC(C)C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 858222 ZYSQXLSMRZZLQL-UHFFFAOYSA-N 350.396 3.223 30 50 FGEA COc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)c(OC)c1 1475904 VJVZYDRUMGQSHL-YBFXNURJSA-N 370.434 3.045 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)N=N1 2325886139 WKLZLFMFHCDWDX-XJKSGUPXSA-N 368.437 3.329 30 50 FGEA N/C(=N\OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 4673340 AQZPPTLMBDYBOS-UHFFFAOYSA-N 354.149 3.379 30 50 FGEA N/C(=N\OC(=O)C1CCCCC1)c1ccc(I)cc1 4825818 CKHFWOLVINHRNY-UHFFFAOYSA-N 372.206 3.035 30 50 FGEA C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8398582 MBAMKSAELMJPPY-UHFFFAOYSA-N 350.488 3.062 30 50 FGEA CC1(C)OB(c2ccc(C(=O)O)cc2OCc2ccccc2)OC1(C)C 170004017 FLFLQHDNPKEPQR-UHFFFAOYSA-N 354.211 3.263 30 50 FGEA CN(Cc1ccc(C#N)s1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 328635038 NCKMECOWRWIQGI-STQMWFEESA-N 350.488 3.121 30 50 FGEA Cc1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(-c2ccccc2)o1 97288757 YHVLKRFMDMLVKZ-UHFFFAOYSA-N 372.428 3.484 30 50 FGEA Sc1nnc(-c2cccnc2)n1/N=C/c1ccc(Br)cc1 1475345 KMNPCRFWLKQMBR-CAOOACKPSA-N 360.240 3.274 30 50 FGEA COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2cccc([N+](=O)[O-])c2)cc1 1067269 STDVTKCDSKGUQG-UHFFFAOYSA-N 359.345 3.387 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)N=N1 2325891177 VZWZOCYCAJFDDC-UHFFFAOYSA-N 359.389 3.441 30 50 FGEA C=CCOc1c(Cl)cc(CNCCCN2CCOCC2)cc1OCC 4867782 ICRJAHQPCSZOEZ-UHFFFAOYSA-N 368.905 3.115 30 50 FGEA Cn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CCCC2 2779107 GHCPJPFFBRSLQG-UHFFFAOYSA-N 365.256 3.247 30 50 FGEA Cc1cncc(N=C(O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)c1 328637838 OWIGFWOEFRVHRS-MRXNPFEDSA-N 368.485 3.363 30 50 FGEA N#Cc1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2=O)cc1 82170765 WURZSTPPLBGOSB-UHFFFAOYSA-N 359.351 3.426 30 50 FGEA O=C1N[C@H](c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C1O 5483906 WKGPHYLJFDDEEM-CQSZACIVSA-N 358.191 3.315 30 50 FGEA CC1(C)C[C@H](O)c2cccc(NC[C@H](O)COc3ccccc3C#N)c2O1 905606850 YFRFXJXEDDHIIU-YJBOKZPZSA-N 368.433 3.005 30 50 FGEA Cc1cc(C#N)cnc1N1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C)C3)CCC[C@H]12 1875405616 KOMBLESWIQCILU-ASTRLGPVSA-N 352.482 3.316 30 50 FGEA Cc1cc(C(F)(F)F)nc(-n2cc(C(=O)/C=C/c3cccs3)nn2)n1 6922240 AKUCZRRFAAMXFI-SNAWJCMRSA-N 365.340 3.342 30 50 FGEA COc1ccc2c(c1)CCC[C@@H]2/N=C(/O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3OC 329242761 AIZVQLDLRIHUTG-DTVKZUOLSA-N 356.466 3.342 30 50 FGEA C=CCS(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 20998625 PXAGJFDVIVPLEJ-CYBMUJFWSA-N 361.385 3.116 30 50 FGEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])c1 5704046 UBRAMFNRGSNXJU-LICLKQGHSA-N 355.379 3.407 30 50 FGEA O/C(=N/CCc1ccc(Cl)s1)N[C@H]1CCOC2(CCOCC2)C1 330256942 LAWVAFHYCLKKLI-LBPRGKRZSA-N 358.891 3.176 30 50 FGEA C#C[C@@H](CC)Oc1ccc(COC(=O)[C@H](C)N(C)CC(F)(F)F)cc1 225855318 IZWWSESLZMMQDK-ZFWWWQNUSA-N 357.372 3.403 30 50 FGEA N#Cc1cc2c(nc1N1CCC[C@@H](Oc3ncccc3F)C1)CCCC2 330137099 NQCPPYCXYWTVIV-MRXNPFEDSA-N 352.413 3.414 30 50 FGEA C=CCOc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1OC 5543953 NFSOVCNGZNEDNS-QGMBQPNBSA-N 358.345 3.041 30 50 FGEA CC(C)C(=O)N1CCC[C@@H]2CN(c3snc(Cl)c3C#N)CC[C@H]21 1875280592 YSPQZQAWMLNOLY-DGCLKSJQSA-N 352.891 3.141 30 50 FGEA C#C[C@H](NC(=O)Nc1ccc2ccc(=O)n(C)c2c1)[C@@H]1CCc2ccccc21 1875341462 UNAAVTMTWAFLRN-UXHICEINSA-N 371.440 3.392 30 50 FGEA C#CCCC1(CCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)N=N1 2325892281 HQMDWHBCKJLRHI-UHFFFAOYSA-N 366.465 3.072 30 50 FGEA C#CCCC1(CCC(=O)NC[C@](C)(COCc2ccccc2)OC)N=N1 2325892580 SHDHJVAIRVBNDQ-LJQANCHMSA-N 357.454 3.080 30 50 FGEA Cc1cc(=N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)[nH]c(C)c1C#N 2356156781 QOYRTAJLRJCOPK-DYESRHJHSA-N 358.445 3.210 30 50 FGEA Cc1cccc(C[C@H]2S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)c1 4803101 FONUROPYNISRLC-YDDPGSGASA-N 368.418 3.067 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(C)CC(C)C)C2 14535864 SAEOZOCYTHIUBW-KRWDZBQOSA-N 358.530 3.140 30 50 FGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 1857718164 BDTFROYSXMWFMQ-HNNXBMFYSA-N 363.421 3.134 30 50 FGEA O/C(=N/Cc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CCn2ccnc2C1 328864801 ZMGDWEXQGNGAGV-CQSZACIVSA-N 374.872 3.092 30 50 FGEA O=C(C#C[C@H]1CCCOC1)N[C@@H](c1ccncc1)c1cc2ccccc2o1 1875274264 ZSAPNTSSNVCPDI-ZHRRBRCNSA-N 360.413 3.463 30 50 FGEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccnc2)cc1 18240733 YXDRGWOHEHDGDY-UZLBHIALSA-N 357.417 3.397 30 50 FGEA N#Cc1cnc2c(Cl)cccc2c1N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 2325785881 RVDIXDKVKBHDOZ-JCURWCKSSA-N 367.840 3.208 30 50 FGEA Cc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C#N)c(Cl)cc1Cl 2325821120 FHCOUYGQUKYSHS-UHFFFAOYSA-N 359.238 3.016 30 50 FGEA C=CC(=O)N1CCCc2cc(C(=O)N(C)Cc3cccc(C#N)c3)ccc21 2325889812 ZZPYKJJVIRCJFP-UHFFFAOYSA-N 359.429 3.296 30 50 FGEA C=CCOc1ccccc1CN1CCN(Cc2ccc(C)o2)[C@H](CCO)C1 104328776 OUQKUJIJUUKKGR-HXUWFJFHSA-N 370.493 3.222 30 50 FGEA Cc1nsc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1C#N 329311062 CLZXPVRBORBIDO-HOTGVXAUSA-N 362.886 3.460 30 50 FGEA C[C@H](/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2)c1ncnn1C 328607709 WROGXWWGVCGISO-XAUMDUMWSA-N 353.470 3.135 30 50 FGEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(F)cnc21 199593733 APWKMCGPZCOCEQ-UHFFFAOYSA-N 362.210 3.258 30 50 FGEA in-vitro COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1NC(=O)OC(C)(C)C 169747277 NSJWIVJGGRSVRN-UHFFFAOYSA-N 367.226 3.481 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)N=N1 952880945 MWRXTAVOEIYCCK-KRWDZBQOSA-N 366.465 3.011 30 50 FGEA C[C@H]1c2ccc(Cl)cc2CCN1Cc1cc(O)n2ncc(C#N)c2n1 2325873566 LLQNJKIADFMWTK-NSHDSACASA-N 353.813 3.079 30 50 FGEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(Cl)cc1)CCN2C 107401683 SESQITPYSGYIEW-HXUWFJFHSA-N 361.917 3.025 30 50 FGEA C=C(C)COc1ccccc1NC(=O)N1CCN([C@H]2CCCC[C@@H]2O)CC1 96151247 XKZBZISMMKHYCE-OALUTQOASA-N 373.497 3.095 30 50 FGEA N#Cc1cc(F)cc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)c1 952980504 KANYZXORSKDOBM-HXUWFJFHSA-N 368.408 3.398 30 50 FGEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2cc(F)ccc2Cl)cc1 1565513376 URUALPJGZAQLHP-ROUUACIJSA-N 374.799 3.317 30 50 FGEA Cc1cc(=NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)[nH]n1CCC#N 456011409 HDXPAPXOMFFOIM-GFCCVEGCSA-N 350.344 3.445 30 50 FGEA C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCCC 8396755 IHUAMRKOAMCPEX-UHFFFAOYSA-N 364.515 3.452 30 50 FGEA C=CCn1cc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c(C)n1 426662068 GXMIEJXPVLGHTO-HXUWFJFHSA-N 364.493 3.016 30 50 FGEA COc1cccc(C(=O)C[n+]2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)c1 5671070 NBNRZSXACGXWFI-UHFFFAOYSA-N 363.393 3.365 30 50 FGEA CCCC(=O)C1=C(Nc2ccccc2O)CC(C)(C)[C@@H](C(=O)OC)C1=O 805842 BDLSAMHGODXENJ-QGZVFWFLSA-N 359.422 3.216 30 50 FGEA COc1cncc([C@H](Nc2nc(C(C)C)ccc2C#N)[C@H]2C[C@H](O)C2)c1 218947452 JSMZADDYTGHYMI-SIXWZSSISA-N 352.438 3.404 30 50 FGEA CC1(C)CC(N2CC(=O)C(c3nc4ccccc4s3)=C2N)CC(C)(C)N1 196738093 OHQRPTSOEPRUTK-UHFFFAOYSA-N 370.522 3.118 30 50 FGEA O=C1N/C(=N/N=C/c2ccc(O)cc2)S[C@H]1Cc1ccc(Cl)cc1 16713100 QGKAHSQPBWOTEW-RPJLVFAOSA-N 359.838 3.210 30 50 FGEA N#Cc1ccccc1CN1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 91952233 VBYGIYDLRRJPAF-IBGZPJMESA-N 359.473 3.323 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(OCC)cc1)CC2 91680302 SGRHTWVYDJKQMX-UHFFFAOYSA-N 370.493 3.045 30 50 FGEA C=CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)N(C)C2CCCCC2)c1=O 14968832 PQQWOMGJVCUKNF-HNNXBMFYSA-N 373.497 3.140 30 50 FGEA CC(C)Cn1cc(N=C(O)C2(N3CCOCC3)CCC2)c(C(F)F)n1 329477322 UKZXJWPDJHKDOS-UHFFFAOYSA-N 356.417 3.320 30 50 FGEA Cc1ccnc(N=C(O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)c1 328627692 GMSUTFITRBNPRV-MRXNPFEDSA-N 368.485 3.363 30 50 FGEA CCOc1cccc(/C=N\NS(=O)(=O)c2ccc(C(C)C)cc2)c1O 17074560 FMYLPJZJRKGZNU-UNOMPAQXSA-N 362.451 3.227 30 50 FGEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@@H]1CCCC[C@@]1(O3)O[C@@H]2c1ccc(F)cc1 137387254 ONZVTWDZJYEHLS-MFVLPEOLSA-N 350.353 3.223 30 50 FGEA N#Cc1cccc(C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)c1 95503508 OQOXJORWMLNGHZ-UHFFFAOYSA-N 371.444 3.218 30 50 FGEA O=C(O)C1CCC(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 194427216 DMRUBQONBXZMPG-UHFFFAOYSA-N 353.340 3.064 30 50 FGEA C=CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 12092607 NWSDZXHXMDFIMZ-LJQANCHMSA-N 366.465 3.385 30 50 FGEA C=CCn1nc(C(=O)NCc2ccccc2)c2c1CCN(C/C(C)=C/C)C2 14744628 LRTUKCXKYWHYAP-YAXRCOADSA-N 364.493 3.323 30 50 FGEA C=CCn1c(CN(C)Cc2ccccc2O)nnc1SC[C@@H]1CCCO1 14998455 IJGTVLACDSRKHS-INIZCTEOSA-N 374.510 3.073 30 50 FGEA N#Cc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)c(F)c1 1857707728 IEYZGEYBOAVOJF-UHFFFAOYSA-N 360.392 3.328 30 50 FGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 886094863 FIAPJYNQZWGRGM-XSXHMXBXSA-N 356.445 3.476 30 50 FGEA C=CCC1(O)CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 886762225 UKEHZXFWVUXCDF-CABCVRRESA-N 350.890 3.309 30 50 FGEA C=CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 2987369 WQZXDAAHORZMKO-LDADJPATSA-N 350.827 3.217 30 50 FGEA CCc1cn[nH]c1C1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1 67967536 QVOMQUXYWDNXQX-UHFFFAOYSA-N 365.477 3.114 30 50 FGEA C[C@@H]1c2ccccc2CN1/C(O)=N/C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 329219976 AGCXPLAYDQTPNQ-GQIGUUNPSA-N 367.497 3.294 30 50 FGEA CC(=O)Nc1ccc(-c2c(C#N)c(N)nc3c2Cc2cc(O)ccc2-3)cc1 71388570 IWQAINPJZYSVIF-UHFFFAOYSA-N 356.385 3.438 30 50 FGEA CC(C)N1CCN(c2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2)CC1 332396916 QAMCMUYUQHQJJM-FQEVSTJZSA-N 368.525 3.371 30 50 FGEA N#Cc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1=O 82086905 ANZXNUNWOUPTEZ-UHFFFAOYSA-N 373.456 3.245 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)s1 1565511658 OWROGYRXWBLERQ-UXHICEINSA-N 373.493 3.360 30 50 FGEA C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(Cc3ccc(C)cc3)CC2)C1=O 14888977 ZQGWFNWRDRDTIR-QFIPXVFZSA-N 369.509 3.484 30 50 FGEA C#CCCC1(CCC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)N=N1 952882263 SVHKHMQFUYQIDS-UHFFFAOYSA-N 366.465 3.011 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(c3cc([C@H]4CCCO4)n[nH]3)CC2)N=N1 2325898671 RXXZPDQHYOTLEM-GOSISDBHSA-N 369.469 3.323 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1Cl 625982 YZNSMLMTNLXMAW-OAHLLOKOSA-N 365.788 3.333 30 50 FGEA CCc1cc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)[nH]n1 71755147 XDXNAVTXMIEFJR-UHFFFAOYSA-N 352.467 3.278 30 50 FGEA COc1ccc(C(O)=NN=C(O)[C@@H]2CCc3cccc(O)c32)cc1OC 328595888 JAGSUBKSNYJZPF-CYBMUJFWSA-N 356.378 3.316 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)N=N1 2325892144 BAEYDCZIKFOMAS-UHFFFAOYSA-N 362.433 3.499 30 50 FGEA N#Cc1cccnc1N1CCC(NC(=O)c2scc3c2CCCC3)CC1 299797621 BNOKGUHBLVALFW-UHFFFAOYSA-N 366.490 3.292 30 50 FGEA Cc1ccc2nnc(CNc3cc(C)c(C#N)c4nc5ccccc5n34)n2n1 170606557 KKJWRMOFZKSPJZ-UHFFFAOYSA-N 368.404 3.026 30 50 FGEA COc1ccc(/C=N/Nc2ncnc3c2cnn3Cc2ccccc2)cc1O 5028671 VDJWXMUVMWLOQI-AUEPDCJTSA-N 374.404 3.035 30 50 FGEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)NCc1ccc(-c2noc(C)n2)cc1 2325806721 CDZZVZGAYZRIFK-VLIAUNLRSA-N 357.454 3.405 30 50 FGEA CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 55198356 DKNIWILCGYYOJT-UHFFFAOYSA-N 358.445 3.417 30 50 FGEA N#Cc1ccnc(N2CC[C@@]3(CCCN(CCc4ccccc4)C3=O)C2)c1 426720054 ZPWKWAXQOLYPFK-QFIPXVFZSA-N 360.461 3.015 30 50 FGEA Cc1c(C#N)c(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc2ccccc12 295885080 BBIASOIQPJDDFW-JKSUJKDBSA-N 356.429 3.200 30 50 FGEA CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F 100206284 XUVLTOWGDOHDMU-ZVBGSRNCSA-N 356.222 3.168 30 50 FGEA N#CC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)CC1 1875274083 GFRFIHFGJPOHJH-MHJFOBGBSA-N 367.493 3.056 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)N=N1 2325894856 TXOPQMIEUZGXCR-ZDUSSCGKSA-N 367.409 3.278 30 50 FGEA COC(=O)[C@@H]1C(=O)/C(=C/Nc2cccc3ccccc23)C(=O)CC1(C)C 103855411 HEEBOADDVYUCLV-XOVFHRFOSA-N 351.402 3.493 30 50 FGEA C#C[C@@H](/N=C(/O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(C)C 328589935 UXUZPYLMWUSSJK-CYBMUJFWSA-N 353.205 3.204 30 50 FGEA Fc1cccc(F)c1-n1ccc(CON=C2CCC3(CC2)OCCO3)n1 154244200 BGYVUOXRYBDINQ-UHFFFAOYSA-N 363.364 3.340 30 50 FGEA C=CCN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1 785024 LFSGIWTYQGLJOA-UHFFFAOYSA-N 352.419 3.198 30 50 FGEA CCOC(=O)/C(=C\N(C)C)C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 4990378 VAGGYVYRJORKFY-CLFYSBASSA-N 361.181 3.093 30 50 FGEA Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] 2782470 BRGKDUNPZIYCLQ-GXSJLCMTSA-N 373.438 3.357 30 50 FGEA C=CCC1(CC=C)CCCN1C(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 11936977 TZCIGWCKNJUZHS-GOSISDBHSA-N 367.493 3.334 30 50 FGEA N=c1[nH]c(C2CCCC2)ncc1/C(O)=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 329540238 MZNUZBPSIGEUEJ-IMJJTQAJSA-N 356.470 3.199 30 50 FGEA Cc1cccc2c1OC[C@H](/N=C(/O)N1CCc3c(nc(C(C)C)n3C)C1)C2 329758290 ZXGICDBMJTYWJK-MRXNPFEDSA-N 368.481 3.128 30 50 FGEA Cc1c(C(=O)N(C)Cc2csc(-c3cccs3)n2)cnc(O)c1C#N 72475414 WTCYYXFHOYRDFZ-UHFFFAOYSA-N 370.459 3.425 30 50 FGEA N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 173739592 SMSMWEUOMOVQFP-UHFFFAOYSA-N 359.209 3.483 30 50 FGEA N#Cc1cccnc1N1CCN(Cc2cc(C3CCCCC3)no2)CC1 244852785 UYTSXQRVLVUEEV-UHFFFAOYSA-N 351.454 3.311 30 50 FGEA O=C1/C(=C\c2cccs2)SC(=Nn2cnnc2)N1c1ccccc1 252427688 BONRPASABPKPIG-OGJKRULYSA-N 353.432 3.280 30 50 FGEA N#Cc1cccnc1N1CCC2(CC1)c1ccccc1[C@@H](N1CCCC1)[C@@H]2O 20481564 RGZJSQXYYNQVHZ-RTWAWAEBSA-N 374.488 3.003 30 50 FGEA COc1cccc([C@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)c1 103012204 DIHNNJYQROBDAC-YAJHFMINSA-N 362.389 3.204 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)s1 952966894 XLNWNNYZQPLCHC-INIZCTEOSA-N 368.502 3.360 30 50 FGEA CCc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)cc1 32575565 LKHQENZTLMFJIT-MTJSOVHGSA-N 372.425 3.091 30 50 FGEA N#CCOc1cccc(CC(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)c1 122720040 UHRXOYUOLGHHEF-UHFFFAOYSA-N 373.416 3.433 30 50 FGEA N#Cc1c[nH]c2ccc(Cl)cc2c1=NC[C@H]1CCC2(CCOCC2)[C@@H]1O 328661281 AARXVVQSEMBAJN-BFUOFWGJSA-N 371.868 3.161 30 50 FGEA FC(F)(F)c1cccc(N2CCN(/C(S)=N\C[C@H]3CCCO3)CC2)c1 13556200 GCEIBLLNWJRDPK-OAHLLOKOSA-N 373.444 3.292 30 50 FGEA C=CCN1CC2(c3ccccc3)CN(CC=C)CC(c3ccccc3)(C1)C2=O 20058166 WHEXNEYOIKNLHZ-UHFFFAOYSA-N 372.512 3.435 30 50 FGEA CCCCCCCCc1ccc(NC[C@H](N)COP(=O)(O)O)cc1 139733170 VRQMZRZONPRMOX-INIZCTEOSA-N 358.419 3.438 30 50 FGEA C=CCSc1nnc([C@H]2CCCN(Cc3ccc(OC)cc3O)C2)n1C 14981056 FIKQKMIUCXEKNA-HNNXBMFYSA-N 374.510 3.187 30 50 FGEA C=CCn1c(=N)n(C[C@H](O)COc2ccc(Cl)cc2)c2ccccc21 19733307 UIEXGTBWIWQHIP-HNNXBMFYSA-N 357.841 3.202 30 50 FGEA C#CCCC1(CCC(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)N=N1 2325892739 ZTLTVMNYXNGBBU-IBGZPJMESA-N 352.482 3.118 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)COc2cccc(C(=O)OCC)c2)N=N1 2325901114 UMSLWSCXSINWEB-OAHLLOKOSA-N 371.437 3.103 30 50 FGEA COc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccccc2)n3C)cc1 2968275 KJUUQOZQQXKKNH-UHFFFAOYSA-N 358.421 3.419 30 50 FGEA O=C(O)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N\c2ccccc2)S1 100445877 YBPTXUXIDZGPEX-ZBBYCGENSA-N 354.431 3.336 30 50 FGEA N#Cc1cc2c(=O)n(Cc3csc(-c4cccs4)n3)ccc2nc1O 67866845 XBJVKRPOYQWGRL-UHFFFAOYSA-N 366.427 3.207 30 50 FGEA CC(C)Cc1nc(-c2ccc(C#CC(C)(C)O)o2)n(-c2ccccn2)n1 65366254 MPMWGQBQFRAKNA-UHFFFAOYSA-N 350.422 3.243 30 50 FGEA N#Cc1cccnc1N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72410155 ZSHXKMNDTFZJLI-FUHWJXTLSA-N 366.490 3.075 30 50 FGEA CCn1nc(C)c(-c2cc(-c3ccc(O)cc3OC)c(C#N)c(N)n2)c1C 71755504 IFOSUSFCUCKWCR-UHFFFAOYSA-N 363.421 3.417 30 50 FGEA CC(C)C[C@@H](NC(=O)c1cccc(-c2ncccc2C#N)c1)c1ncnn1C 426487417 PKBYJTDHHDXHFE-GOSISDBHSA-N 374.448 3.266 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 91665639 YOIKLNZJJMIVNF-SFHVURJKSA-N 358.449 3.286 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(CCCOc1ccc(F)cc1)CC2 91907327 FUXNFKVEOUZSIL-UHFFFAOYSA-N 360.473 3.485 30 50 FGEA COc1ccc(OC)c(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c1 244646891 GQZINQINXDYVTH-UHFFFAOYSA-N 367.493 3.472 30 50 FGEA CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1 68251434 SFNSLLSYNZWZQG-VQIMIIECSA-N 374.448 3.392 30 50 FGEA investigational O=[N+]([O-])c1ccc2c(/C(O)=N/CCCc3nc4cccnc4[nH]3)c[nH]c2c1 328590133 LSKYNPTWSSVDJB-UHFFFAOYSA-N 364.365 3.285 30 50 FGEA C=CCn1c(SC[C@H]2CCCCN2C(C)C)nnc1-c1cnccn1 240551635 GVANBNQMCQWBSH-OAHLLOKOSA-N 358.515 3.276 30 50 FGEA CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](CC)C(=O)OCC 170612018 QCBJSBNEQQDDFH-MRXNPFEDSA-N 356.426 3.162 30 50 FGEA N#Cc1cccc(C2(C(=O)N3CCN(c4cccc(F)c4)CC3)CCC2)c1 952994802 SLSVYTBODRTZFO-UHFFFAOYSA-N 363.436 3.468 30 50 FGEA N#Cc1ccncc1O[C@H]1CCN(c2nc(C3CC3)nc3ccccc23)C1 1875273485 BDSYQOVHSKBYLJ-INIZCTEOSA-N 357.417 3.432 30 50 FGEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 4094467 BSAUXCNDXHVMOP-VBKZILBWSA-N 371.433 3.278 30 50 FGEA C#CCCC1(CCC(=O)Nc2c(CC)n(C)n(-c3ccccc3)c2=O)N=N1 2325892883 OMCYUTHQROTLNC-UHFFFAOYSA-N 365.437 3.033 30 50 FGEA N#Cc1cccc(NC(=S)NC(=O)c2ccccc2Br)c1 675590 RJFIQPRKQHQSSX-UHFFFAOYSA-N 360.236 3.448 30 50 FGEA CN(C)/C=C\C(=O)[C@@H](Cc1c(Cl)cccc1Cl)C(=O)/C=C/N(C)C 252427676 BJMWOURLXHZUTR-JNJVWEPISA-N 369.292 3.441 30 50 FGEA COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OC1CCCC1 1123624 ACBNSIMVPPRQDN-SFHVURJKSA-N 360.479 3.398 30 50 FGEA COc1cc(C(=O)/C=C/Nc2ccc(C(=O)O)cc2)cc(OC)c1OC 1162226 KJJMNSQMQNTXAC-CMDGGOBGSA-N 357.362 3.219 30 50 FGEA COc1ccc(/C=C/C(=O)Nc2ccc(CC#N)cc2)c(OC)c1OC 2383653 QRMKBVYJLRCIIZ-YRNVUSSQSA-N 352.390 3.430 30 50 FGEA C=C(C)[C@@H]1CC=C(CNCc2cccnc2N2CCN(C(C)=O)CC2)CC1 14976305 FKUNIIHUGNARBT-HXUWFJFHSA-N 368.525 3.142 30 50 FGEA Cn1ccnc1N1CCC(/N=C(/O)c2cscc2Br)CC1 329110401 QIXUAUWNAJYPBW-UHFFFAOYSA-N 369.288 3.218 30 50 FGEA CC(C)C(=O)N1CCC[C@H]2CN(c3snc(Cl)c3C#N)CC[C@@H]21 1875280591 YSPQZQAWMLNOLY-AAEUAGOBSA-N 352.891 3.141 30 50 FGEA C[C@@]1(C#C/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(Cl)Cl 4947745 LPNFKMBOBMFYRZ-VOMFFSSUSA-N 357.153 3.488 30 50 FGEA Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]2(CC=CCC2)C1 114436452 SVCITJYXBFOTCQ-OAQYLSRUSA-N 353.466 3.145 30 50 FGEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1c(O)cccc1F 55183160 HLUVJFZHWXSPBB-UHFFFAOYSA-N 353.353 3.410 30 50 FGEA CN(Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1)C[C@H]1CCCCO1 65375316 CKGWXXVKEAMTAV-HXUWFJFHSA-N 364.449 3.206 30 50 FGEA Cc1cc(N2CCC(/N=C(/O)Cn3cc4ccccc4n3)CC2)nc(C)n1 330180291 FXQVNEJIWSMYET-UHFFFAOYSA-N 364.453 3.069 30 50 FGEA CN1CCN(/C(O)=N/Cc2cccc3c2OCCCO3)Cc2ccccc21 330288983 DLMAJBQYEGWVMY-UHFFFAOYSA-N 367.449 3.214 30 50 FGEA C[C@@H]1COCCN1CC/N=C(/O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 328604294 JGVAZLIDJQMEHD-AZOIQLNYSA-N 364.873 3.057 30 50 FGEA C[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)c1cccc(Br)c1 4808424 XRYNUPVLRLXQLY-LLVKDONJSA-N 363.211 3.080 30 50 FGEA N/C(Cc1cccc2ccccc12)=N\OC(=O)Cc1ccccc1[N+](=O)[O-] 4906654 RTYGWIPKLJOZOG-UHFFFAOYSA-N 363.373 3.349 30 50 FGEA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C#N)C1 20419261 SKKONAKHCWVJTJ-ZDUSSCGKSA-N 361.511 3.041 30 50 FGEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/CCC1=CCCC1 328639707 WZVPKQUORDHUAJ-PKOBYXMFSA-N 359.518 3.149 30 50 FGEA Nc1ccc(CCN2CCCC/C2=N/S(=O)(=O)c2ccccc2)cc1 575440679 LEPJQUCPARWIPK-VZCXRCSSSA-N 357.479 3.085 30 50 FGEA in-vitro COC(=O)c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19849080 CTNPQWYPALEBDS-HYARGMPZSA-N 371.868 3.278 30 50 FGEA COc1cc(OC)c2ncc(C#N)c(NCCCOC[C@@H]3CCCO3)c2c1 225537226 XIFQBOCBWQEVFG-HNNXBMFYSA-N 371.437 3.121 30 50 FGEA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(C#N)cc1 724936 LBCRBDBVUCMIII-IBGZPJMESA-N 371.400 3.139 30 50 FGEA N#Cc1cccc(NCC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c1 153448455 HORSDTFJVOKLNW-UHFFFAOYSA-N 371.387 3.318 30 50 FGEA N#Cc1ccc(Cl)cc1N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818146131 UTVOOELQSXMMOI-GOSISDBHSA-N 358.829 3.046 30 50 FGEA COc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)cc1 2836162 GJUXUDHDDNDBKZ-UHFFFAOYSA-N 367.430 3.212 30 50 FGEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(COC)o1 55183390 NZVUBICBELOCSJ-UHFFFAOYSA-N 353.378 3.304 30 50 FGEA CCCCCCCCCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 886025707 VWTWZVUPJHKPPZ-GOSISDBHSA-N 373.497 3.384 30 50 FGEA CCOc1ccccc1C/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(CCOC)c1 328640907 XONGXGXEZCMPMS-PKOBYXMFSA-N 373.453 3.163 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(O)cc1 849068 BHFQXPPWYXAFIQ-MRXNPFEDSA-N 366.398 3.491 30 50 FGEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 2055392 SJOIOEFNTQGCNA-LJQANCHMSA-N 373.424 3.373 30 50 FGEA CCCCCCc1cc2cc(/C(C)=N\NC(N)=S)c(=O)oc2cc1O 3896053 QPRFOIUWODUGJJ-JAIQZWGSSA-N 361.467 3.179 30 50 FGEA biogenic C=CCN(Cc1cccnc1)C(=O)CCC(=O)Nc1cc(C)ccc1F 55327012 USGVDFFTOZTZBK-UHFFFAOYSA-N 355.413 3.463 30 50 FGEA C/N=C(/O)c1cccc(CN2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)c1 328644078 RQDQWZLHDVXBDO-GOSISDBHSA-N 368.481 3.046 30 50 FGEA N#Cc1cccc(-c2ccc(C(=O)N3CCC[C@H](CCC(N)=O)C3)cc2)c1 426433715 XCXPXBPBVQDIKV-MRXNPFEDSA-N 361.445 3.343 30 50 FGEA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 1875302820 IDYLPJPZNVTWAH-FZMZJTMJSA-N 366.248 3.099 30 50 FGEA CCSc1nc2n(n1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 6677853 KVPRKTUKLSDKNI-HNNXBMFYSA-N 355.467 3.443 30 50 FGEA CC(C)(C)O/C(O)=N/[C@H](/C(O)=N/Cc1nc(C2CC2)cs1)C(C)(C)O 328596389 MECLXZRRSGGBLI-CYBMUJFWSA-N 369.487 3.346 30 50 FGEA COc1ccc(/C(C)=N\N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1 12378737 ZNIWWKJMXCGAGB-WBRURWICSA-N 353.447 3.250 30 50 FGEA CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 15722545 FAPSTRKEUKBFTL-OVCLIPMQSA-N 371.374 3.270 30 50 FGEA COc1cccc([C@H](O)C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 163919211 DHMGDXKSAUDNRM-CVEARBPZSA-N 365.216 3.416 30 50 FGEA C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)C[C@@H](C(=O)O)C2)N=N1 952876765 WHOSNCMWWBHMMB-IAGOWNOFSA-N 353.422 3.059 30 50 FGEA Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)c2cccc(Cl)c2)n1 9489163 DCXSUEIKUDGBRW-UHFFFAOYSA-N 366.812 3.365 30 50 FGEA O/C(=N/C[C@@H]1COc2ccccc2O1)N1CCCC[C@@H]1c1nccs1 329915186 CXXYZCNLALOZSZ-ZIAGYGMSSA-N 359.451 3.424 30 50 FGEA COc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1OC 1429705 FXFMQXNACXPKCN-AWEZNQCLSA-N 372.465 3.140 30 50 FGEA C/C(O)=N/[C@@H](C)C1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CC1 328605610 ODQSKNZGEAAYRV-XQAUZQBESA-N 356.466 3.330 30 50 FGEA N#Cc1cccc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)n1 72174296 YEMSVWVRVSCATM-ZLGUVYLKSA-N 366.415 3.298 30 50 FGEA Cn1cc(C#N)cc1C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 670436166 PKSYFCWAWJCIRS-HXUWFJFHSA-N 350.466 3.244 30 50 FGEA C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)C(C)(C)C 1219114 MMGBCGKFSTTZKW-STCDJXRXSA-N 360.483 3.333 30 50 FGEA C#CCCC1(CCC(=O)NC[C@H](C(=O)OC)c2ccc(Cl)cc2)N=N1 2325892815 HJGAIXQKEJVDLH-HNNXBMFYSA-N 361.829 3.069 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccn1 2367700 DOMQRGFHQPEPBE-UHFFFAOYSA-N 369.425 3.396 30 50 FGEA CN(C)Cc1cc(-c2cc(-c3cccc(O)c3)nc(N)c2C#N)ccc1O 67872311 HACGOCPKTDJAJJ-UHFFFAOYSA-N 360.417 3.342 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91635800 OMSOLSLZXPNYEQ-IBGZPJMESA-N 371.444 3.218 30 50 FGEA N#Cc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1=O 91830656 RVJYAIVCNRZJTQ-UHFFFAOYSA-N 365.408 3.009 30 50 FGEA N#C[C@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)C1 299799901 VGIRUGUJYXEIDM-MRXNPFEDSA-N 354.454 3.470 30 50 FGEA Cc1ccc(N/C(CSC(N)=O)=N\S(=O)(=O)c2ccccc2)cc1 12523955 SBCUUFHAWLPOLY-UHFFFAOYSA-N 363.464 3.006 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NC1CCCCC1)C2 14733011 JEMHGDNHQZEHIR-SFHVURJKSA-N 370.541 3.475 30 50 FGEA O/C(=N/[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCc2nn[nH]c2C1 329049363 WASMTBMQUMLHTB-JMCQJSRRSA-N 353.209 3.307 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OC)c1 626911 VQHYQADTSSMTKU-GOSISDBHSA-N 371.433 3.178 30 50 FGEA CC1(C)CC(=O)C2=C(C1)NC(=S)[C@@H](C#N)[C@H]2c1ccccc1[N+](=O)[O-] 102196501 NMJRZKDDYFGDRA-XHDPSFHLSA-N 355.419 3.392 30 50 FGEA Cc1nsc(NC2CC2)c1/C(O)=N/[C@H]1CCOC2(CCOCC2)C1 328944656 UUSMYYQUSIVAPQ-ZDUSSCGKSA-N 351.472 3.059 30 50 FGEA CC(C)n1cc([C@@H]2CN(c3ccc4cc(C#N)ccc4n3)C[C@H]2CO)cn1 375247216 APTRSHNAFZNDSM-OALUTQOASA-N 361.449 3.096 30 50 FGEA C=CCC(O)(CC=C)[C@@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1 11878489 ANMFOFBHGNZAEJ-CYBMUJFWSA-N 361.467 3.119 30 50 FGEA CC/N=C1\S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CC 2826494 CKQJAKDOSDBPAW-LOPKLFAVSA-N 357.838 3.148 30 50 FGEA COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)ccc1OC1CCCC1 1123621 ACBNSIMVPPRQDN-GOSISDBHSA-N 360.479 3.398 30 50 FGEA CC(C)(C)OC(=O)N1CCN(c2oc(-c3ccccc3)nc2C#N)CC1 170623798 WRNXHKDKWSLKRL-UHFFFAOYSA-N 354.410 3.270 30 50 FGEA Cc1noc(C)c1S(=O)(=O)NC1(C(O)=Nc2ccsc2)CCCC1 329884572 SOZZTCLYFQJMPP-UHFFFAOYSA-N 369.468 3.232 30 50 FGEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(C#N)s2)cs1 328624531 CLWGJUASPLBYQE-JSGCOSHPSA-N 350.488 3.087 30 50 FGEA CC/C(Cc1ccccc1)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 220979748 LKDLFGPGPPAOSC-SDXDJHTJSA-N 361.423 3.190 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(/C(O)=N/[C@@H]3CC[C@@H]4CCC[C@H]4C3)C2)nc1 330180007 FQJVTTWSGDYXQM-WNRNVDISSA-N 354.454 3.289 30 50 FGEA C#CCCC1(CCC(=O)Nc2c(C(=O)OC)n(C)c3ccccc23)N=N1 2325892781 CBZUGQQHVKFFBS-UHFFFAOYSA-N 352.394 3.259 30 50 FGEA C[C@@H]1Cc2cc(Cn3ccnc3-c3ccc(C#CCO)s3)ccc2O1 77489336 MUOHSNSNRUBPSF-CQSZACIVSA-N 350.443 3.327 30 50 FGEA Cc1cc(C#N)c(N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)nc1C 91493396 PVTCUMIIDRKHNS-NRFANRHFSA-N 352.482 3.332 30 50 FGEA C=C(Cl)CCC(=O)NC[C@H](C)CNC(=O)c1ccc2ccncc2c1 2325868284 VMCRVHJQALLTQV-ZDUSSCGKSA-N 359.857 3.250 30 50 FGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 842117 HLBQVTIOTJCOGB-QGZVFWFLSA-N 352.346 3.079 30 50 FGEA CCOc1cc(NC(C)C)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003530 YIOIGRPIWQXBGV-UHFFFAOYSA-N 350.224 3.113 30 50 FGEA COc1cc(-c2cc(-c3ccc(N(C)C)nc3)c(C#N)c(N)n2)ccc1O 67975033 HEUFHJDXKVVWLW-UHFFFAOYSA-N 361.405 3.045 30 50 FGEA CCNC(=O)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5952574 NZCLVOGEFQVXAU-ZDQRYUTBSA-N 350.331 3.263 30 50 FGEA Cc1ccnc(-n2cccc2-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)c1 71735737 REXRBCGHPWCPGZ-UHFFFAOYSA-N 369.432 3.406 30 50 FGEA N#Cc1c[nH]c2ccc(Cl)cc2c1=NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 328661292 AARXVVQSEMBAJN-ORAYPTAESA-N 371.868 3.161 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95378371 UOXBERKLGOGCHM-INIZCTEOSA-N 364.478 3.347 30 50 FGEA COc1ccc(-c2nnc(S)n2N=Cc2cccc(OC)c2OC)cc1 239038991 FGJZHGMTSRAKPP-UHFFFAOYSA-N 370.434 3.142 30 50 FGEA C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/NC(N)=S)CC[C@@]43C)[C@@H]1CC[C@@H]2O 19910407 MIPSRMGOORGYHK-XBFBAMFRSA-N 361.555 3.499 30 50 FGEA N#C[C@@H]1N(C(=O)c2cccc([C@@H]3CCOC3)c2)CCC[C@]12CCCCO2 329876204 HPRILICYNCGKNI-SVFBPWRDSA-N 354.450 3.258 30 50 FGEA COc1ccccc1[C@H]1CN(c2ncccc2C#N)[C@@H]2C3CCN(CC3)[C@H]12 72148082 OGLXSLHPQFLKKP-HMXCVIKNSA-N 360.461 3.028 30 50 FGEA Cn1cc(/C(O)=N/[C@H]2CN(c3ccc(F)cc3)C2=O)c(C2CCCCC2)n1 329347992 VSJCJMNHMYOINE-KRWDZBQOSA-N 370.428 3.327 30 50 FGEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 17074409 RSCLNMUBDWOBCI-RNEAKCBISA-N 361.423 3.421 30 50 FGEA CCOC(=O)CCC(=O)N1C[C@@H](CC)S/C1=N\c1cccc(OC)c1 1875254932 WUJMUBMVPWYSAE-RAJOGRCSSA-N 364.467 3.380 30 50 FGEA Cc1cc(C#N)cnc1N1CC[C@]2(NC(=O)[C@@H]3CC[C@@H](C)C3)CCC[C@@H]12 1875405617 KOMBLESWIQCILU-HAXDFEGKSA-N 352.482 3.316 30 50 FGEA COc1ccccc1SC[C@H](C)CNCc1cn(C)c2c(C#N)cnn12 2325801044 RZHCBUHLCDRYTA-CQSZACIVSA-N 369.494 3.071 30 50 FGEA CCCCCC(=O)/C=C\[C@@H]1[C@H](C/C=C\CCCC(=O)O)C(=O)C[C@H]1O 100015715 YRTJDWROBKPZNV-CSRDWGEXSA-N 350.455 3.459 30 50 FGEA in-vitro COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O[C@@H](C)C(=O)O 2999214 XZBFUHRSTKFICE-NSHDSACASA-N 352.342 3.010 30 50 FGEA COCCN1CCC(c2cc(-c3ccccc3C)nc(N)c2C#N)CC1 67755264 PGRVTJUVXDKPIR-UHFFFAOYSA-N 350.466 3.337 30 50 FGEA Cc1ccc(/C=N/N=C2/N=C(O)[C@H](CC(=O)Nc3ccccc3)S2)o1 5101623 JJSQBDTWBFXSGZ-XKYMITNMSA-N 356.407 3.379 30 50 FGEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)N=N1 952883167 XDMPTTKGLHQRMZ-AWEZNQCLSA-N 360.408 3.263 30 50 FGEA N#Cc1cccc(-c2ccc(C(=O)N3CCN(C4CCCC4)C(=O)C3)cc2)c1 426386256 DDQKXZVJGMQEBS-UHFFFAOYSA-N 373.456 3.452 30 50 FGEA C#CCCC1(CCC(=O)Nc2cc(F)ccc2OCc2cnn(C)c2)N=N1 1875381895 KJBXILGENHHPRC-UHFFFAOYSA-N 369.400 3.432 30 50 FGEA N#Cc1c(N)nc2c(c1-c1ccc3occc3c1)CN(C(=O)C1CC1)CC2 72149066 QEZJILXALTVBKT-UHFFFAOYSA-N 358.401 3.243 30 50 FGEA O=c1c2c3c(sc2ncn1/N=C/c1cccc([N+](=O)[O-])c1)CCCC3 1190062 BVRXMSDCBNIXNH-DJKKODMXSA-N 354.391 3.127 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2Cl)cc1OC 5091119 ZAJNJOPGAILEKI-UHFFFAOYSA-N 369.204 3.488 30 50 FGEA C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cccnc1 12380993 KNZQWESDJXBWCV-LLVKDONJSA-N 372.479 3.102 30 50 FGEA C=C(C)C(=O)OCCOC(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1 2172444 RNJJIPICOGBVPX-UHFFFAOYSA-N 361.181 3.371 30 50 FGEA CO/N=C/c1ccc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)cc1 225429952 RGYCRKICHVIIGB-MNOULKQQSA-N 366.465 3.138 30 50 FGEA CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)n1nnc2ccccc21 38358022 JEEPGQDKVCACHZ-UHFFFAOYSA-N 361.402 3.095 30 50 FGEA CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C#N)cc1 159227827 PEOHBRFPUWFPNG-HXUWFJFHSA-N 374.444 3.362 30 50 FGEA COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3C#N)C2)c1 952978718 ZNXYJKQLZHXFFU-KRWDZBQOSA-N 363.461 3.209 30 50 FGEA C=CCN1C(=O)/C(=C/c2cc(C(C)C)c(OCC)cc2C)C(=O)NC1=S 1151123 SNTYFICCLQRMAC-LFIBNONCSA-N 372.490 3.330 30 50 FGEA CO[C@@H](c1ccccc1)[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 225621636 LZIKESMCKJDGFR-HRAATJIYSA-N 350.466 3.288 30 50 FGEA Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)CCc2ccccc2)n1 9489164 AUSHEPWKQAEFGE-UHFFFAOYSA-N 360.421 3.031 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 4906483 PQXRONCZLDGHQL-KRWDZBQOSA-N 355.365 3.050 30 50 FGEA CSCCONC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 376474658 OWBUJJAROMSWFE-UHFFFAOYSA-N 367.902 3.229 30 50 FGEA N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCSCC2)cc1C(F)(F)F 170646898 HEBUPHKFBNAEMM-HNNXBMFYSA-N 369.412 3.121 30 50 FGEA N/C(Cc1ccc(Cl)c(Cl)c1)=N\OC(=O)COc1ccccc1 5093074 LLEQJKQZEJDFNV-UHFFFAOYSA-N 353.205 3.430 30 50 FGEA CC[C@@]12COC(=O)N1CCN(Cc1ccc(-c3ccccc3C#N)o1)C2 1857666553 OFICOZWEDHQSSU-HXUWFJFHSA-N 351.406 3.235 30 50 FGEA Cc1cc(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)nc(C)c1C#N 1857721640 ZBASLZNAQPEDGW-DYESRHJHSA-N 358.445 3.158 30 50 FGEA C=CCC[C@H](NC(=O)N1CCN(c2nccnc2C)CC1)c1ccccc1 441090564 MKZCHGGOVWAGDU-IBGZPJMESA-N 365.481 3.324 30 50 FGEA C=CCN(c1ccc(C(=O)Nc2ccccc2CC)cc1)S(C)(=O)=O 1116685 WCQMRXAGVMMQJF-UHFFFAOYSA-N 358.463 3.453 30 50 FGEA C=CCc1cc(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)cc(OCC)c1O 55073677 KXMWVEGDRIQBGJ-UHFFFAOYSA-N 350.378 3.232 30 50 FGEA C=CCOc1ccc([C@H]2CC(=O)Nc3cc(NC(=O)COC)ccc32)cc1 65407349 UJNKXQGQFBCJFZ-GOSISDBHSA-N 366.417 3.310 30 50 FGEA CC(C)c1cc(-c2cccc(OCCN3CCOCC3)c2)c(C#N)c(N)n1 67894642 DXPWWTSBWRXKLJ-UHFFFAOYSA-N 366.465 3.037 30 50 FGEA Cc1[nH]c2ccc(C#N)cc2c1CCNc1cc(C2CCNCC2)ncn1 67935329 ITAFAQRESKIWLY-UHFFFAOYSA-N 360.465 3.260 30 50 FGEA CC/N=C(/O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(C(=O)N(C)C)C1 328602217 AVAXWIHTOVKNDQ-HNNXBMFYSA-N 369.469 3.058 30 50 FGEA COc1ccc(OC)c(-c2cc(-c3ccc(OC)nc3)nc(N)c2C#N)c1 71747021 CHMLSPFKUQREHY-UHFFFAOYSA-N 362.389 3.290 30 50 FGEA N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cn1 332718253 ZYZIZRBTUZQVRJ-AAEUAGOBSA-N 363.343 3.446 30 50 FGEA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCC[C@@H](C#N)C2)c1 92097556 AJWOLFOGEIMMQT-HNNXBMFYSA-N 356.422 3.028 30 50 FGEA CS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC[C@@H](C#N)C3)c2)cc1 299791651 DWZVDYXVPXYOBW-HNNXBMFYSA-N 368.458 3.133 30 50 FGEA C=CCOc1cccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1 820494573 QFYHGASVJWMRBR-UHFFFAOYSA-N 364.445 3.416 30 50 FGEA OCCC#Cc1ccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 19732864 FMQTWFHKHBWCJM-JOCHJYFZSA-N 366.480 3.314 30 50 FGEA CC1=CC2(CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)OCC1 1704335630 PLWFSYHXBKRRJO-UHFFFAOYSA-N 366.870 3.102 30 50 FGEA CSc1nn(-c2ccccc2)c(NC(=O)COc2ccccc2)c1C#N 125608039 PPWJQPFKVULPRA-UHFFFAOYSA-N 364.430 3.483 30 50 FGEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@H]1CCCC[C@@]1(O3)O[C@H]2c1ccc(F)cc1 245246806 ONZVTWDZJYEHLS-CTMNZFAUSA-N 350.353 3.223 30 50 FGEA Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C 295692146 DLTDMPHOUOORMN-WMLDXEAASA-N 352.438 3.370 30 50 FGEA C=C(Cl)CSc1nnc(CCNC(=O)CC)n1-c1ccc(F)cc1 11782270 AACYNEOHZAYUCZ-UHFFFAOYSA-N 368.865 3.320 30 50 FGEA CCC(=O)N(c1nnc(SCCOc2cccc(C#N)c2)s1)C1CC1 2325705785 RSNUDFPBOBCAQM-UHFFFAOYSA-N 374.491 3.486 30 50 FGEA N#Cc1cccc(OCc2ccoc2C(=O)O[C@H]2C[C@H](n3ccnc3)C2)c1 2325798828 CCTZYRGHMWTRAK-SAABIXHNSA-N 363.373 3.487 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@H]1c1ccc(F)cc1 1251294 IXTBKUNAHGWVSC-INIZCTEOSA-N 355.321 3.013 30 50 FGEA C#CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 6715939 CXMMQKLNSRKFDL-UHFFFAOYSA-N 354.837 3.314 30 50 FGEA C=C(C)COc1c(CNCc2noc([C@H]3CCCO3)n2)cccc1OC 55343646 PBCDKIXNYOGIGX-MRXNPFEDSA-N 359.426 3.174 30 50 FGEA Cc1nc(-c2ccccc2N=C(O)N2CC[C@H]3OCCN(C)[C@H]3C2)cs1 329104450 DMVUGORJVBXGBL-ZWKOTPCHSA-N 372.494 3.069 30 50 FGEA Cc1c(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)cnn1C1CCCCC1 333913850 YHGXJVFCFTWXFI-UHFFFAOYSA-N 363.421 3.167 30 50 FGEA C=CCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1 13717726 UTTQPLIMFLJDHT-UHFFFAOYSA-N 351.410 3.129 30 50 FGEA Cn1cc(-c2cc(C(=O)N3CCC[C@H](C#N)C3)c3cc(F)ccc3n2)cn1 19841606 GAMZUVZJUKNBFB-CYBMUJFWSA-N 363.396 3.150 30 50 FGEA C=C[C@](C)(O)CC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952892263 MNXSEFSFJOJQGY-NRFANRHFSA-N 369.440 3.316 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2ccc(OC)c(C(=O)OC)c2)N=N1 2325892920 QOMJOBRFCUQXRK-ZDUSSCGKSA-N 357.410 3.015 30 50 FGEA Cc1nc(N(CC#Cc2ccccc2)C[C@@H]2CCCO2)c2nc(C)oc2n1 55385133 DNXIMYUMOXPGKG-SFHVURJKSA-N 362.433 3.272 30 50 FGEA C=CCNC(=O)CSc1nnc([C@H]2C[C@@H]2c2ccc(C)cc2)n1CC 2793357 YQBWSZDPVBWEHZ-CVEARBPZSA-N 356.495 3.272 30 50 FGEA Cc1nsc(N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1C#N 329311058 CLZXPVRBORBIDO-CVEARBPZSA-N 362.886 3.460 30 50 FGEA Cc1nc(C(=O)Nc2ccccc2C#N)nn1-c1ccc(OC(F)F)cc1 261490648 RZWRYOWCEWJFMI-UHFFFAOYSA-N 369.331 3.301 30 50 FGEA COc1ccc(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)cc1O 1848444211 WOAUFEYSFFBTON-GQCTYLIASA-N 358.346 3.043 30 50 FGEA O=C(O)c1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 1478763 JMKPMTKZAXZVGP-GIJQJNRQSA-N 358.810 3.468 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)N=N1 2325891976 RSZNKMIQLXWMMD-OAHLLOKOSA-N 354.458 3.024 30 50 FGEA Cc1cccc(C[C@@H]2S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)c1 4803111 FONUROPYNISRLC-ZVCOJXFSSA-N 368.418 3.067 30 50 FGEA CC(C)CN1CCC[C@H](C/N=C(/O)c2cc3ccccc3c(=O)n2C)C1 329175720 MFAOFDVOBXZCMZ-MRXNPFEDSA-N 355.482 3.211 30 50 FGEA CO[C@@]1(C(O)=Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CCOC1 330032362 UUZLNRALNIFSTD-CAHMLLFMSA-N 363.483 3.399 30 50 FGEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 257358665 VSGTWMOZGFNRPM-BHXCVROASA-N 360.494 3.055 30 50 FGEA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cccc(C#N)c1)CC2 1857667726 FVZKIBRKOQIZSV-UHFFFAOYSA-N 356.429 3.200 30 50 FGEA COc1cccc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c(=O)oc12 1055494 ATMAESCPRSWZPT-UHFFFAOYSA-N 366.398 3.476 30 50 FGEA C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccn1 2394142 QSRODIZXOCSFSH-UHFFFAOYSA-N 369.425 3.396 30 50 FGEA CCCc1cc(=O)[nH]c(S[C@@H](CC)C(=O)Nc2ccccc2C#N)n1 8607263 RPDAWOCUPTWTLH-HNNXBMFYSA-N 356.451 3.103 30 50 FGEA Cc1nc(C)n(C[C@@H]2CCCN(/C(O)=N/[C@H]3CCCC(F)(F)C3)C2)n1 330223940 NJFSJPBJPZVYMR-CABCVRRESA-N 355.433 3.099 30 50 FGEA N#CC1(c2ccc(C(=O)N3CC[C@]4(CC(=O)c5ccccc5O4)C3)cc2)CC1 333991926 KNTUVXNVNMWQAD-QHCPKHFHSA-N 372.424 3.492 30 50 FGEA Sc1nnc(-c2ccccc2Br)n1/N=C/c1cccnc1 6059948 HSLNZEBFIQWGRJ-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1ccccc1 5484052 AZLFHVRRYXDANO-HKUYNNGSSA-N 363.413 3.444 30 50 FGEA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cccc(C#N)c1)CC2 1857676010 ARSAZKDTZSMGRA-UHFFFAOYSA-N 356.429 3.200 30 50 FGEA C[C@H]1CCC(=O)N1c1ccc(N2CCC(N3CCC(C#N)CC3)CC2)cc1 63871066 KEEMRTCXLSIZMJ-KRWDZBQOSA-N 366.509 3.406 30 50 FGEA CCn1cc(-c2cc(-c3ccc4c(c3)OCCO4)nc(N)c2C#N)c(C)n1 67713719 IUCXYURTUFLITH-UHFFFAOYSA-N 361.405 3.166 30 50 FGEA CSCCCN1C(=O)CC[C@H]2CN(Cc3cccc(C#N)c3)CC[C@H]21 72422645 MKKNSRRDUGIEED-RBUKOAKNSA-N 357.523 3.124 30 50 FGEA C=CCOc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2cc(C)no2)c1 72481329 GUFAUYSBIRLPPD-HXUWFJFHSA-N 350.422 3.419 30 50 FGEA COc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1OC 244874712 XGACZNQQTYRTBP-UHFFFAOYSA-N 367.493 3.472 30 50 FGEA O=C1/C(=C/c2cccs2)SC(=Nn2cnnc2)N1c1ccccc1 252427689 BONRPASABPKPIG-RBCZPYDQSA-N 353.432 3.280 30 50 FGEA C=CCOc1cccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)c1 820494491 GSTKLZCSCZALDI-UHFFFAOYSA-N 355.467 3.227 30 50 FGEA C#CCOc1cc(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)ccc1OC 1704298132 FTWBTNBCDQSVAA-TZIWHRDSSA-N 357.450 3.129 30 50 FGEA CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O 830380 SAPFULPWTCHBRF-FYJGNVAPSA-N 351.406 3.339 30 50 FGEA N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2n[nH]nc12 603064 SEDUMQWZEOMXSO-UHFFFAOYSA-N 357.171 3.236 30 50 FGEA investigational N#Cc1c(NC(=O)CN2CCc3ccccc3C2)sc2c1CCCC2 36858951 JSOFSMYMJNFFMT-UHFFFAOYSA-N 351.475 3.495 30 50 FGEA C[C@@H]1CCOCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 374984473 FZXQRJKGBHDLJF-MRXNPFEDSA-N 350.418 3.388 30 50 FGEA CCCCc1nc(CN2CCN(c3ccc(C#N)cc3)C(=O)C2)c(Cl)[nH]1 82107910 GTBVOUIXCAEZRJ-UHFFFAOYSA-N 371.872 3.126 30 50 FGEA N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCCc3ccccc32)CC1 513897221 MTKQFXSVWBLTDT-FQEVSTJZSA-N 360.461 3.467 30 50 FGEA CCc1cc(C#N)ccc1NC(=O)N1CCC(N2CCSCC2)CC1 95529186 NIKWIKNUVYDMJN-UHFFFAOYSA-N 358.511 3.166 30 50 FGEA Cc1ccc2c(CN3CCN(Cc4ccccc4C#N)CC3)cc(=O)oc2c1 22752849 LCTQCQGYPSEPAI-UHFFFAOYSA-N 373.456 3.291 30 50 FGEA biogenic,in-vitro CC(=O)N1CCC(C2CCN(c3nc4c(cc3C#N)CCCC4)CC2)CC1 1857717312 QXBCDFPPWULVBB-UHFFFAOYSA-N 366.509 3.307 30 50 FGEA Cc1cc(C#N)cnc1N1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)C1 1875405544 JHCBPTDFFNKXNU-VEPAJOOPSA-N 352.482 3.029 30 50 FGEA COC(=O)c1ccc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)cc1 6007490 HYCQBIUSXFUIHB-YBFXNURJSA-N 368.418 3.285 30 50 FGEA COc1ccc(/C=N/O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 252445395 NIMPWLUOSZASHB-PZBANKLISA-N 374.481 3.384 30 50 FGEA COc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1OC 1429703 FXFMQXNACXPKCN-CQSZACIVSA-N 372.465 3.140 30 50 FGEA N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCSCC2)cc1C(F)(F)F 170646896 HEBUPHKFBNAEMM-OAHLLOKOSA-N 369.412 3.121 30 50 FGEA COc1ccc(C/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1 4670350 WEQOWZJOPJWIDC-UHFFFAOYSA-N 364.401 3.285 30 50 FGEA CCSC1=N/C(=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)S1 4755359 KMHWWFGYUAQSDU-GHXNOFRVSA-N 365.432 3.261 30 50 FGEA CC[N+](=C\c1ccc(OC)cc1OC)/N=C/c1ccc(OC)cc1OC 102314775 KWRXDXGPPRPMKI-JFMUQQRKSA-N 357.430 3.206 30 50 FGEA COc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1O 19849078 LWIQDRDQACXVOQ-FYJGNVAPSA-N 359.857 3.206 30 50 FGEA C=CCc1cc(CNC(=O)N2CC[C@]3(CCCOC3)C2)cc(OC)c1OC 489278495 REGRKZFYYHWJGP-OAQYLSRUSA-N 374.481 3.144 30 50 FGEA COc1ccc(-c2ccnc(C3CCN(C(=O)[C@H](C)C#N)CC3)n2)cc1 952892285 NJMJHQRJOHPRGF-CQSZACIVSA-N 350.422 3.018 30 50 FGEA N#Cc1cccnc1NCCOC(=O)c1cc2c(Cl)cncc2s1 2325854172 QYBBBHOBJGNQBB-UHFFFAOYSA-N 358.810 3.485 30 50 FGEA Cc1nsc2ncn(Cc3ccc(C#N)cc3C(F)(F)F)c(=O)c12 1459045970 JWPSSZHCXVLCAE-UHFFFAOYSA-N 350.325 3.100 30 50 FGEA CSc1nc(N)nc(SCC(=O)Nc2ccc(Cl)cc2)c1C#N 2267400 ORMHGBWKGUZWPN-UHFFFAOYSA-N 365.871 3.037 30 50 FGEA CN(Cc1noc(C2CC2)n1)C(=O)c1ccc(-c2ncccc2C#N)cc1 426438571 IUTGYMUZWSWXBJ-UHFFFAOYSA-N 359.389 3.153 30 50 FGEA C=CCc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3)C2)cc1 91745810 JHHPZTPHNGIXIU-VQTJNVASSA-N 365.429 3.364 30 50 FGEA N#Cc1ccc(NC(=O)C(=O)N2CCc3c(F)cc(F)cc32)cc1Cl 170624908 XLAGXVIAOCDAFD-UHFFFAOYSA-N 361.735 3.018 30 50 FGEA O=C1C=C/C(=N\S(=O)(=O)c2cc(Cl)ccc2Cl)C=C1Cl 15767743 CTDYOXIORUOFAR-LZYBPNLTSA-N 350.610 3.385 30 50 FGEA CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccncc1 449926434 MGWNZKLGHFHQAO-AWEZNQCLSA-N 368.824 3.013 30 50 FGEA C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886096849 QIUZHDGARRRIQX-IIBYNOLFSA-N 350.466 3.229 30 50 FGEA C#CCCC1(CCNC(=O)[C@H]2CCCN(CCc3ccccc3)C2)N=N1 2325891677 VKBFJWFWHQJGOS-IBGZPJMESA-N 352.482 3.023 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1204341 WVPUFUZSCXSGKZ-QGZVFWFLSA-N 352.346 3.392 30 50 FGEA CO[C@@]1(C/N=C(/O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)CCOC1 328606342 RDHSNCYKJNWHKC-QGTPRVQTSA-N 351.830 3.142 30 50 FGEA Cc1nc([C@H]2CCCN(C(=O)c3ccc(-c4ncccc4C#N)cc3)C2)no1 426511826 VGGATOSUMGDMSO-SFHVURJKSA-N 373.416 3.332 30 50 FGEA N#Cc1ccnc(N2CCC(N[C@@H](Cn3ccnc3)c3ccccc3)CC2)c1 95509368 RAASFXXUTKVHSR-NRFANRHFSA-N 372.476 3.150 30 50 FGEA CCOc1ccc(CC(=O)C2=C(NC)CC(C)(C)CC2=O)cc1OCC 100162352 AXRZZGZUKDEPHR-UHFFFAOYSA-N 359.466 3.458 30 50 FGEA CCC#CCN1C[C@H]2CN(C(=O)CSC)C[C@@]2(CCc2ccccc2)C1 1772705101 OZWFXPYDTWLLIM-RBBKRZOGSA-N 370.562 3.156 30 50 FGEA CCc1nc(C)c(CN2CCC[C@@H](COc3ccc(C#N)cc3OC)C2)[nH]1 1857734968 APCIZKAREAYBLL-QGZVFWFLSA-N 368.481 3.452 30 50 FGEA C[C@H](COc1ccc(F)cc1)N=c1ccc(Br)c(C#N)[nH]1 1875326434 BIPKZHLWHUZCRK-SNVBAGLBSA-N 350.191 3.156 30 50 FGEA C#CCCC1(CCN2C(=O)N[C@](CC)(c3ccc(Cl)cc3)C2=O)N=N1 2325899494 HEUHLAAVWQVJRG-GOSISDBHSA-N 358.829 3.463 30 50 FGEA C=CCNC(=O)CCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67459139 OSPCVZVLSKBCQR-UHFFFAOYSA-N 372.490 3.316 30 50 FGEA COCC[C@@H]1CN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)CCO1 426474057 APJHMWYLDSHWRE-HXUWFJFHSA-N 350.418 3.103 30 50 FGEA COc1nc(C)c(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)c(C)c1C#N 534654342 XPTMVWIBYUTHSM-QGZVFWFLSA-N 365.433 3.155 30 50 FGEA C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(N2CCCC2=O)c1 278218816 HXNJPUNOBKIJCP-UHFFFAOYSA-N 373.456 3.442 30 50 FGEA Cc1ccc(/C(N)=N/OC(=O)COc2ccc(Br)cc2)cc1 5092753 QXGGRGDPBZUSNB-UHFFFAOYSA-N 363.211 3.000 30 50 FGEA Cc1ccc(OCc2nnc(SCc3cccc(C#N)c3)n2N)cc1C 5077632 CKIQWOCZBTZILG-UHFFFAOYSA-N 365.462 3.352 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OC 19792638 GNSJPWSCPXHEJT-GOSISDBHSA-N 361.397 3.437 30 50 FGEA N#Cc1cc(C(=O)Nc2nc(CC3CC3)ns2)cnc1C(F)(F)F 952852434 URJADELATJWXQR-UHFFFAOYSA-N 353.329 3.028 30 50 FGEA CCCCN(CC#Cc1ccccc1)C(=O)c1cnc(N(C)C)nc1C 55307307 IQPCUBQNDYTFIS-UHFFFAOYSA-N 350.466 3.145 30 50 FGEA C=CCNC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 12319962 BMDNLWFXFKLIKP-QGZVFWFLSA-N 366.421 3.172 30 50 FGEA C=C(C)CNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12592590 QFGQYKDYDMDKFA-CQSZACIVSA-N 354.372 3.136 30 50 FGEA N#Cc1ccc2c(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)c[nH]c2c1 2325821953 PHJAPDRXVYQIHE-UHFFFAOYSA-N 374.444 3.249 30 50 FGEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc([N+](=O)[O-])c2)c1 1900014 VHPSGKACHUONMI-LICLKQGHSA-N 355.379 3.407 30 50 FGEA C=CCOC(=O)Nc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1C 2289285 ONHPIOKYYULPFO-OAHLLOKOSA-N 361.316 3.043 30 50 FGEA C=CCN(Cc1cccnc1)C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 55325993 GMUIYFHSJQGTKG-IBGZPJMESA-N 355.482 3.168 30 50 FGEA C=CCN1C[C@@H](C(=O)NCc2cc(C)cc3c(C)c(CC)[nH]c23)CCC1=O 71775643 VYDPONAGRPPKAE-INIZCTEOSA-N 367.493 3.388 30 50 FGEA N#Cc1ccccc1C(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91562733 VGKNOONOFQPFSY-QFIPXVFZSA-N 365.477 3.346 30 50 FGEA CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 185955206 XNUMAWQEEJAWOY-ZDUSSCGKSA-N 374.384 3.099 30 50 FGEA Cc1ccccc1N/N=C/c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 4719484 NWAWSNMBLFCGMT-XSFVSMFZSA-N 353.426 3.101 30 50 FGEA C=CCn1c(S)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 5736711 UFHXMGXPCFKYJD-UHFFFAOYSA-N 372.401 3.389 30 50 FGEA COc1cc(C)ccc1OCC(=O)N1C[C@@H](C#N)[C@H](c2ccccc2)C1 368354022 GATATTBICTVJLD-MSOLQXFVSA-N 350.418 3.148 30 50 FGEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCC(C)C)C2 14531210 HYXVQNDZZMWSOU-KRWDZBQOSA-N 358.530 3.188 30 50 FGEA CN(Cc1cc(C#CCO)cs1)[C@H]1CCCN(CCc2ccccc2)C1 19227391 VGQZJFRUXCXYDP-NRFANRHFSA-N 368.546 3.231 30 50 FGEA CCC/C(O)=N/C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1 328605649 OKPVUHIYBRVVII-OXJNMPFZSA-N 354.454 3.207 30 50 FGEA C#CCCC1(CCC(=O)NCC2CCN(Cc3csc(C)n3)CC2)N=N1 2325892525 QIANXAOPQMPHBO-UHFFFAOYSA-N 373.526 3.135 30 50 FGEA C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ncccc1O 225410566 NGVCIUWSASGJIE-UHFFFAOYSA-N 352.312 3.301 30 50 FGEA CN(C)CCOc1ccccc1-c1cc(-c2ccn(C)c2)nc(N)c1C#N 67473477 DABSGBZNSFKDJC-UHFFFAOYSA-N 361.449 3.148 30 50 FGEA C[C@H]1C[C@H]1c1ccc(/C=C/C(O)=Nc2cccc(NC(=O)C(N)=O)c2)o1 328589559 QKDUTVARSIOBJD-VUPNYRSLSA-N 353.378 3.128 30 50 FGEA N#Cc1cc2c(nc1NC[C@@H]1CCc3nc(C(F)(F)F)cn3C1)CCC2 330056750 WJHBSDIBASZZTL-NSHDSACASA-N 361.371 3.332 30 50 FGEA Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nccn3CCCN(C)C)C2)n1 95366755 BZUVVSHPXUUFGW-GOSISDBHSA-N 366.513 3.102 30 50 FGEA C=CCOc1cccc(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)c1 12074224 IKZUDFCMRSRULN-UHFFFAOYSA-N 356.466 3.162 30 50 FGEA Cc1onc(CC(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c1C#N 332280296 KXUVEMMYRPJBIS-UHFFFAOYSA-N 359.376 3.157 30 50 FGEA Cc1c(Cl)cnc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)c1C#N 886039188 PEJLKWOKGNVCOI-SUMWQHHRSA-N 358.877 3.144 30 50 FGEA N#Cc1cc2cc([N+](=O)[O-])c(N3CCOCC3)cc2n2c1nc1ccccc12 4626590 ZOBFNHIJODBMHW-UHFFFAOYSA-N 373.372 3.257 30 50 FGEA COc1ccc([C@@H](C#N)C(=O)C(=O)Nc2ccc(C)cc2C)cc1OC 1613706 IMGLDTRIKYILHI-OAHLLOKOSA-N 352.390 3.136 30 50 FGEA C=CCn1cc(-c2cc(-c3ccc4c(c3)OCCO4)nc(N)c2C#N)cn1 67785756 QWITWJDMNXKCJY-UHFFFAOYSA-N 359.389 3.023 30 50 FGEA CCN1CCC[C@@H](CN(C)/C(O)=N/[C@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 328635417 URTTXIVQPJWTFI-YTQUADARSA-N 359.518 3.148 30 50 FGEA Cc1ccc(C/N=C(/O)N2CCN(c3nc4ccccc4o3)CC2)s1 329694538 XCWXRFHXONGFIF-UHFFFAOYSA-N 356.451 3.434 30 50 FGEA Cn1cc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=S)c2ccccc21 3215420 LFFFLFFNQAENNC-SSDVNMTOSA-N 374.473 3.198 30 50 FGEA Cc1sc(NC(=O)[C@H](N)CCCC#N)nc1-c1c(F)cc(F)cc1F 424148448 ZZLMILHSZNUQCS-GFCCVEGCSA-N 368.384 3.496 30 50 FGEA C#CCCC1(CCC(=O)N2CCN(c3cncc4ccccc34)CC2)N=N1 2325892174 CTLVBFUQUAFABY-UHFFFAOYSA-N 361.449 3.239 30 50 FGEA C[C@@H](/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2)c1ncnn1C 328607708 WROGXWWGVCGISO-WRWLIDTKSA-N 353.470 3.135 30 50 FGEA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C#N)N2C=Cc4ccccc4[C@@H]32)cc1C 245312085 SBYZGZPMKFVJRF-TUFLPTIASA-N 369.424 3.342 30 50 FGEA Cc1nc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cc(C)oc2n1 16134289 DSAVCQZZLZERPG-FRKPEAEDSA-N 356.298 3.102 30 50 FGEA O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F 1902925 QLCCYWWLDCRFPA-UHFFFAOYSA-N 355.156 3.500 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@@H]1c1ccccc1F 20079641 MSALCNRHONXYEG-MRXNPFEDSA-N 355.321 3.013 30 50 FGEA COc1ccc(/C=C/C(=O)c2ccnn2C)cc1Cn1cc(Cl)cn1 6827508 JKKBEASZKLBPNA-HWKANZROSA-N 356.813 3.223 30 50 FGEA N#C[C@@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CC1 129448962 OFJOIBPTJTYDSE-IBGZPJMESA-N 360.413 3.304 30 50 FGEA O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1ccccc1 17180675 ANNGKUMZOWWGCW-GOSISDBHSA-N 357.369 3.260 30 50 FGEA C#CCCC1(CCC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)N=N1 952883168 XDMPTTKGLHQRMZ-CQSZACIVSA-N 360.408 3.263 30 50 FGEA O=c1c(/C=N/O)c(Sc2nc3ccccc3s2)nc2ccccn12 2325709116 MYFMJBXTSCJCAB-RQZCQDPDSA-N 354.416 3.264 30 50 FGEA Cc1cccc2nc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[nH]c12 2325871006 YNFBHKHHHKHIPM-AWEZNQCLSA-N 363.396 3.347 30 50 FGEA C#CCCC1(CCC(=O)N(CCC(=O)O)Cc2cccc(F)c2F)N=N1 2325900635 CPLLGKKSVCTLNS-UHFFFAOYSA-N 363.364 3.124 30 50 FGEA C[C@@H](O)CCC[C@@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)CC1 27639215 PPYRMVKHPFIXEU-ILWSTUOESA-N 350.455 3.315 30 50 FGEA in-vitro N#CCCn1cc(C(=O)Nc2nccs2)c(-c2cccc([N+](=O)[O-])c2)n1 5050286 QNFOBXFEIPPJRO-UHFFFAOYSA-N 368.378 3.081 30 50 FGEA O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccncc1 6227838 BGDHMNHCDBIAEF-OBQYLLBLSA-N 352.379 3.084 30 50 FGEA COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1OC 33321415 QZVQRTFGMGYIQD-PXLXIMEGSA-N 353.466 3.164 30 50 FGEA CCCn1cc(-c2cc(-c3ccc(O)c(OC)c3)c(C#N)c(N)n2)c(C)n1 71747136 UFLVMPANCWTYQE-UHFFFAOYSA-N 363.421 3.499 30 50 FGEA CC1=C/C(=N\S(=O)(=O)c2ccccc2)C(C)=C(Br)C1=O 15856890 GTNHFQSJGRJCHL-FOWTUZBSSA-N 354.225 3.014 30 50 FGEA Cc1c(C#N)c(N2CCN(Cc3ccc(F)cc3)C(=O)C2)nc2ccccc12 1857670386 LQJSQFMEXMXXKR-UHFFFAOYSA-N 374.419 3.403 30 50 FGEA C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886096846 QIUZHDGARRRIQX-HRAATJIYSA-N 350.466 3.229 30 50 FGEA COCCOC(=O)N1CCC2(CCN(Cc3ccccc3C#N)CC2)CC1 72129673 JCEAQEKVXOFQHW-UHFFFAOYSA-N 371.481 3.019 30 50 FGEA CCCc1noc(CN(C)C(=O)c2ccc(-c3cccc(C#N)n3)cc2)n1 426359970 QDSXNYFARZSBQR-UHFFFAOYSA-N 361.405 3.228 30 50 FGEA Cc1ccc(S(=O)(=O)N=C2C=C(Cl)C(=O)C(Br)=C2)cc1 1857666364 VCVLDSKDWWFUQJ-UHFFFAOYSA-N 374.643 3.109 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 13286625 YZFVYGFZIGZWMB-KRWDZBQOSA-N 356.378 3.126 30 50 FGEA O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(S)nnc2-c2cccnc2)c1 15987611 OOLVQZDWEHQBPK-CAOOACKPSA-N 360.786 3.073 30 50 FGEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(O)=Nc1ccccn1 328626939 MFOWZLZYVZGPPS-NSHDSACASA-N 353.348 3.037 30 50 FGEA COc1ccc(C(=O)/C(C=O)=N/Nc2ccc(OC(F)(F)F)cc2)cc1 100338303 XSWFSFBRTYINPH-PXLXIMEGSA-N 366.295 3.444 30 50 FGEA C#CCn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 8786762 SHBJDJDWWGNHLN-KRWDZBQOSA-N 359.429 3.194 30 50 FGEA C=CCNC(=O)CCN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67514922 HKWWAZWSDZIQJN-UHFFFAOYSA-N 366.461 3.254 30 50 FGEA CC[C@H]1CCc2c(sc(NC(=O)[C@@H](C)n3cc([N+](=O)[O-])cn3)c2C#N)C1 2761494 XCOPCYIKPPYYMW-MNOVXSKESA-N 373.438 3.439 30 50 FGEA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C#N)C1 239274643 AMFVLUWXGBRYTC-VIYUNQGVSA-N 356.447 3.206 30 50 FGEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cn(CC)c2nc(C)ccc2c1=O 1616096374 JEBHPEGQASNHDK-HOTGVXAUSA-N 351.450 3.460 30 50 FGEA N#Cc1ccc(CN2CCC[C@@H](CNC(=O)Cc3ccc(F)cc3)C2)cc1 1506414734 TZVQOLAFUYBZMF-FQEVSTJZSA-N 365.452 3.268 30 50 FGEA COc1cc(C(=O)/C=C/Nc2ccc3c(c2)OCO3)cc(OC)c1OC 2827498 JMUFPHXUHXPEBJ-VOTSOKGWSA-N 357.362 3.250 30 50 FGEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NC1CCCC1)C2 14751142 PTHUOYOAKWYOJK-GOSISDBHSA-N 370.541 3.475 30 50 FGEA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(-c3ccc(C#N)cc3)n21 2356137493 NDIPNQXKTLIZHU-ZDUSSCGKSA-N 361.380 3.059 30 50 FGEA C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1 2904487 CHFMRDNUHBFYMV-UHFFFAOYSA-N 360.417 3.349 30 50 FGEA Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)c1 4826309 VSAXOVAXJXMGLY-ZVCOJXFSSA-N 368.418 3.067 30 50 FGEA CCn1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)cn1 649416 CIJIFOGTSPQOQI-UHFFFAOYSA-N 373.507 3.232 30 50 FGEA COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 252327544 RYZNRFOSCDAQJF-XIFFMUJLSA-N 372.424 3.235 30 50 FGEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 19770291 NTTFICPNEOWMMI-GOSISDBHSA-N 372.490 3.346 30 50 FGEA N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCC2 4652746 RILGFZUVCUWCTR-WDEREUQCSA-N 350.827 3.280 30 50 FGEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)Cc2cccc(Cl)c2)cc1 1565511571 ZMXMLYYIUXFUGI-OALUTQOASA-N 370.836 3.107 30 50 FGEA C=CC[C@@H]1CC=C[C@@H](C)N1S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1506401893 OHUZBMQUDJVODY-GHMZBOCLSA-N 373.833 3.461 30 50 FGEA C=CCc1cccc(/C=N/n2c(S)nnc2COc2ccccc2)c1O 1475910 ZHZUTJWOQJYDIK-UDWIEESQSA-N 366.446 3.462 30 50 FGEA C[C@@H]1CCC[C@H](N/C(O)=N/Cc2ccnc(OC3CCOCC3)c2)[C@@H]1C 329408628 ZZDVZCCZVLASPL-RKVPGOIHSA-N 361.486 3.468 30 50 FGEA O=C(C[n+]1cccc(Br)c1)c1ccc(Br)cc1 1664816 NKRFBEKMBOSBHC-UHFFFAOYSA-N 356.037 3.382 30 50 FGEA COc1ccc(OC)c(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c1 20188910 GQZINQINXDYVTH-HZHRSRAPSA-N 367.493 3.472 30 50 FGEA C=CCN1C(=O)COc2ccc(NC(=O)c3cccc(OCC)c3)cc21 32593389 FQKANSRCHKBRCA-UHFFFAOYSA-N 352.390 3.249 30 50 FGEA Cc1ccc(N2CCC[C@H](N/C(O)=N/CC(C)(C)c3cccs3)C2)nn1 329661103 IMTUDYGNEMQSFP-HNNXBMFYSA-N 373.526 3.297 30 50 FGEA CC(C)c1nc(CCNC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)no1 426594758 AYACNTOYMFZVHT-UHFFFAOYSA-N 361.405 3.099 30 50 FGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 1187106 SMEPKCPRFYHTPQ-LJQANCHMSA-N 350.418 3.237 30 50 FGEA C=CCOc1ccccc1CN1CCC[C@](CCOC)(C(=O)OCC)C1 11873403 SCESITGVUBAISN-OAQYLSRUSA-N 361.482 3.433 30 50 FGEA CCN(CC)c1ccc(N/C(N)=N\c2nc(O)cc(C(F)(F)F)n2)cc1 13520530 NMAQJAORKXLJDN-UHFFFAOYSA-N 368.363 3.106 30 50 FGEA N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@](F)(CO)C3)c2)cc1 376522023 IUEAJGWYQNGVTB-FQEVSTJZSA-N 353.397 3.238 30 50 FGEA OCCC#Cc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 12308584 UWENXMGTAFAAOT-OAQYLSRUSA-N 372.472 3.168 30 50 FGEA C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[C@H](O)c1nn(C(C)C)cc1O2 1875394812 XNGFYRWIQFKIML-HNNXBMFYSA-N 361.486 3.243 30 50 FGEA CC(C)c1ccc(-n2ccnc2SC[C@@H](O)CN(C)CCC#N)cc1 414096564 LSZWHOTUMYGQBX-SFHVURJKSA-N 358.511 3.294 30 50 FGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccccc1Cn1cccn1 71762723 AUWFNDJEENOOHO-UHFFFAOYSA-N 369.432 3.156 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccco1)O2 229969612 IDFLOTIBAMZFNZ-YNVMFWSZSA-N 358.357 3.402 30 50 FGEA CCOc1ccc(NC(=O)N2CCN(c3cccc(O)c3)CC2)cc1C#N 299786016 VKUFOXQKJFXBAZ-UHFFFAOYSA-N 366.421 3.017 30 50 FGEA C=CCn1c(Sc2ccnc(C)n2)nnc1[C@@H]1COc2ccccc2O1 170642732 FDNKXKQTXDBSHV-HNNXBMFYSA-N 367.434 3.226 30 50 FGEA O=C1C(Cl)=CC(=NS(=O)(=O)c2ccc(Cl)cc2)C=C1Cl 828908 QRNWQBDHZDMSNI-UHFFFAOYSA-N 350.610 3.298 30 50 FGEA CC(C)(C)OC(=O)NCc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 238791300 XRPOSVFQHFASSI-UHFFFAOYSA-N 351.227 3.150 30 50 FGEA C=CCNC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 19300998 OUEYMHMSMSTXNW-UHFFFAOYSA-N 369.553 3.098 30 50 FGEA CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)OC 1166674 YBTDNZHQUJIPQU-UHFFFAOYSA-N 366.369 3.100 30 50 FGEA Cc1c(C)c(C)c(C/N=C(/O)N2CC[C@@H](CS(C)(=O)=O)C2)c(C)c1C 331130302 IZSFPDMAUMCFBX-QGZVFWFLSA-N 366.527 3.009 30 50 FGEA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1cccc(C#N)c1 82137117 GHIYTBQEGGXPOF-ZDUSSCGKSA-N 353.809 3.089 30 50 FGEA CCc1ccc(NC(=O)C[C@@H]2CC3=C(CC(C)(C)CC3=O)NC2=O)cc1 334160901 OGSOTNHJFYGOIK-AWEZNQCLSA-N 354.450 3.357 30 50 FGEA C#CCCC1(CCC(=O)N2CCN([C@H](C)c3nc(C)cs3)CC2)N=N1 2325886363 RXCIQBFKSLVUME-OAHLLOKOSA-N 359.499 3.012 30 50 FGEA C#CCCC1(CCC(=O)Nc2ncc(-c3ccc(OC)cc3)n2C)N=N1 2325892644 VKIXENIGPCWVIW-UHFFFAOYSA-N 351.410 3.390 30 50 FGEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccnc3ccc(C)cc23)C1 328610905 JOUXBLDYQKUKNJ-IBGZPJMESA-N 351.410 3.317 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(CC)c1C 5728162 QVAPUMNWSDIULB-GOSISDBHSA-N 371.481 3.379 30 50 FGEA COc1cc(CN2CCc3[nH]cnc3[C@@H]2c2ccc(C#N)cc2)cc(OC)c1 72426926 IEGVMVHTXXLIQO-QFIPXVFZSA-N 374.444 3.446 30 50 FGEA Cc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C#N 302644649 LXPXLIGEGSNZAE-UHFFFAOYSA-N 374.366 3.243 30 50 FGEA N#Cc1ccccc1CN1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356136360 RCFIIUHGYSJRCA-QFIPXVFZSA-N 360.461 3.110 30 50 FGEA C=C(C)COc1ccccc1C(=O)N1CCC(Nc2ncccn2)CC1 55360840 UEEXEWARALASQY-UHFFFAOYSA-N 352.438 3.148 30 50 FGEA S=C(NCc1ccc2c(c1)OCO2)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 253623402 AOCOYSMUPRXTNV-YEKQEAONSA-N 357.479 3.192 30 50 FGEA N#Cc1ccc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)nc1 72171452 GFKYHAAWWVVOLL-HMXCVIKNSA-N 366.415 3.298 30 50 FGEA C=CCN1C[C@H](C)N(C(=O)c2ccc(-c3ncccc3C#N)cc2)C[C@@H]1C 1565512005 GTTPANZQBKTGJH-IRXDYDNUSA-N 360.461 3.341 30 50 FGEA Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Br)cc1F 1146632 IGZLIFXDFFFYLQ-IFRROFPPSA-N 362.206 3.469 30 50 FGEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 1150870 KOHIMQNSWIGDKH-GZTJUZNOSA-N 352.415 3.469 30 50 FGEA C=C(C)CNC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 12429795 AVZWHLFRGJNEET-UHFFFAOYSA-N 353.344 3.304 30 50 FGEA CN1CC(=O)OB(/C=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2)OC(=O)C1 169794881 DUUDJMKKOGQMQQ-CMDGGOBGSA-N 371.286 3.354 30 50 FGEA Cc1cccc2c1OC[C@H](/N=C(/O)N1CCC(c3ccncc3)CC1)C2 329596233 CASYJRLKUBDAEI-LJQANCHMSA-N 351.450 3.487 30 50 FGEA N#Cc1ccccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1=O 82120284 LGNQEBNURUDPIV-UHFFFAOYSA-N 373.334 3.066 30 50 FGEA Cc1cc(-c2ccc(C(=O)NCCCc3cnn(C)c3)cc2)nc(C)c1C#N 584894203 KJESEQULFXAPKM-UHFFFAOYSA-N 373.460 3.333 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnc2)cc1 952981129 ZIBFVDVZHUHQBP-HXUWFJFHSA-N 365.477 3.091 30 50 FGEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 18145449 GJDVVWAKKGHRTG-FQEVSTJZSA-N 374.444 3.392 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F 19138640 VPUZDMMTZUQIQN-GOSISDBHSA-N 369.392 3.359 30 50 FGEA Cc1cccc(N=C(O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328643274 YRZCNIXGEDGDPO-GFCCVEGCSA-N 367.375 3.345 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 626382 ZBMAAOXTLQOCEB-OAHLLOKOSA-N 359.397 3.316 30 50 FGEA CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ccc(C#N)nn1 795202108 CSOCVUIHHGYGCK-UHFFFAOYSA-N 367.453 3.270 30 50 FGEA Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)C#CC(C)C 952895336 UGVHHMYTVWNCFP-LJQANCHMSA-N 351.450 3.048 30 50 FGEA COc1ccc(-c2n[nH]cc2-c2cc(C3CC3)nc(N)c2C#N)cc1OC 67983139 SGGKRSLDCRMAJD-UHFFFAOYSA-N 361.405 3.487 30 50 FGEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2C(=O)O)cc1 6953288 JFFUAHIAJYUSLE-KZKLBEMASA-N 360.435 3.211 30 50 FGEA CCOC(=O)Cc1csc(N/N=C\c2cccc(Br)c2)n1 31850112 FOZXHQJTPSUIEJ-PXNMLYILSA-N 368.256 3.457 30 50 FGEA COc1ccc(/C(C)=N\N=C2/NC(=O)[C@H](Cc3ccc(F)cc3)S2)cc1 5048071 KDYGSHLNSZKUHC-SLCIXIPPSA-N 371.437 3.389 30 50 FGEA Cc1ccc(-n2cnc(/N=C/N3CCOCC3)c2C(=O)c2ccccc2)cc1 1283171 UCDKLMTYEDPEMY-HZHRSRAPSA-N 374.444 3.404 30 50 FGEA C=CCC(=O)N1CCC(C(=O)Nc2cccc(-c3nnc(C)s3)c2)CC1 12304281 QKCXYHIJSZNRGF-UHFFFAOYSA-N 370.478 3.267 30 50 FGEA COCCCNc1oc(COc2ccc(Br)cc2)nc1C#N 1857800329 ZYVLOFRKDACALV-UHFFFAOYSA-N 366.215 3.336 30 50 FGEA C=CCNc1ccccc1C(=O)NC[C@@H](c1cccnc1)N1CCCC1 55131978 UNSRVFAYUKCTGC-FQEVSTJZSA-N 350.466 3.246 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)o1 952980031 QETUDMMSRFHYPF-GOSISDBHSA-N 366.461 3.425 30 50 FGEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3ccccc3C)CC2)o1 170607607 XXVQDUQASPBSAV-AWEZNQCLSA-N 352.438 3.257 30 50 FGEA Cc1ccc(S(=O)(=O)OCC(C)(C)CNC(=O)OC(C)(C)C)cc1 167794749 TVKYZBMFEBBMCH-UHFFFAOYSA-N 357.472 3.251 30 50 FGEA C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 1049361 TUSFHDBLLDIONT-HNNXBMFYSA-N 358.463 3.130 30 50 FGEA CCn1c(C)c(C(=O)CSc2ncc(C#N)c(N)n2)c2ccccc21 10007637 OEGOUTLSQJXIKR-UHFFFAOYSA-N 351.435 3.189 30 50 FGEA CCc1nc(C)c(-c2cc(-c3cc(OC)ccc3OC)nc(N)c2C#N)[nH]1 67983038 MTELHIIUMFFDCZ-UHFFFAOYSA-N 363.421 3.481 30 50 FGEA C#CCN1C(=O)[C@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 4543255 ISWIWKUAPSEKCJ-PCYTUBISSA-N 357.409 3.083 30 50 FGEA O=S1(=O)CCC[C@@H](/N=C(/O)c2cc(C3CC3)nc3ccc(F)cc23)C1 329611761 JVZSVLKHRIEAOY-CYBMUJFWSA-N 362.426 3.133 30 50 FGEA Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cc1Cl 218454801 OYPQTSXTZPQAJD-RTBURBONSA-N 370.836 3.486 30 50 FGEA CC(C)C[C@@]1(CO)CCCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 19842015 KVAVVNHMVOLQBV-QFIPXVFZSA-N 357.494 3.070 30 50 FGEA N#C[C@]1(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CCc2ccccc2C1 183950200 VJAUDXNKACHWSL-PWHSHALESA-N 374.440 3.129 30 50 FGEA CN(C)/C=C/C=C/C(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 3162091 FHVJVCKJFCFUBX-LQIBPGRFSA-N 364.445 3.306 30 50 FGEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 2532065 IAUHMKWOVHGYMQ-CIAFOILYSA-N 371.462 3.041 30 50 FGEA CCN1CCC[C@@H](CN(C)Cc2cc(C#N)ccc2F)[C@@H]1c1cnn(C)c1 328630329 JGLRQSAHJMVQAH-LAUBAEHRSA-N 369.488 3.336 30 50 FGEA C=CC[C@]1(CO)CCCN(Cc2c(-c3cc(C)on3)nn(C)c2Cl)C1 91725031 NVUIPVYMYIEYNQ-SFHVURJKSA-N 364.877 3.188 30 50 FGEA COc1cc(O)c(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 252484556 FZBUUJDDKJSPOJ-VOTSOKGWSA-N 374.389 3.331 30 50 FGEA C/C(=N\N)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\N)CC[C@]4(C)[C@H]3CC[C@@]21C 1857525063 BAGRWRUJCMXJQI-CZQJGQEWSA-N 358.530 3.330 30 50 FGEA CC[C@H](Sc1nncn1C)C(=O)Nc1sc2c(c1C#N)CCCC2 706484 VHNVRQSIYHWIDA-LBPRGKRZSA-N 361.496 3.136 30 50 FGEA Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 2937158 BJDAUWUKNORXPY-UHFFFAOYSA-N 350.494 3.389 30 50 FGEA COc1ccc(/C=N/N=C/c2c[nH]c(=O)c(C#N)c2Nc2ccccc2)cc1 8690070 JZQRZRCNWGOGGU-OEIKEGJISA-N 371.400 3.452 30 50 FGEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H](CC)n1cccn1 55253076 SKQMVLGEESRNOC-MRXNPFEDSA-N 351.410 3.099 30 50 FGEA COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1OC 4753536 UIGGERIILNMFDJ-AWEZNQCLSA-N 364.353 3.068 30 50 FGEA N#Cc1ccccc1CN1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 72479489 WALZCRUFTQUCQC-UHFFFAOYSA-N 354.381 3.196 30 50 FGEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1ccc(F)cc1Cl 82137498 WBYULOMNJQKCNZ-LBPRGKRZSA-N 371.799 3.228 30 50 FGEA COc1cccc([C@H]2CN(c3cccc(C#N)n3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95390657 WEVODJFVDBTRGB-CEMLEFRQSA-N 360.461 3.028 30 50 FGEA CC1(C)OB(c2cnc3c(F)cc(Br)cc3c2)OC1(C)C 616567928 IDIOVYKZPQKGSQ-UHFFFAOYSA-N 352.012 3.436 30 50 FGEA CC(=O)Oc1ccc(/C(C)=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1 19882199 WCYZPGKRINRVEQ-PTGBLXJZSA-N 365.477 3.462 30 50 FGEA CC1(C)OB(c2ccc(Cl)c(NC(=O)N3CCCC3)c2)OC1(C)C 405074601 CTGMWKLKLHSFIO-UHFFFAOYSA-N 350.655 3.267 30 50 FGEA Cc1nsc(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1C#N 328992853 SVCXZYLWLIKIFF-JTQLQIEISA-N 355.389 3.460 30 50 FGEA Cc1cc(=NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)[nH]n1CCC#N 456011411 HDXPAPXOMFFOIM-LBPRGKRZSA-N 350.344 3.445 30 50 FGEA N#Cc1c(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])sc2c1CCCC2 2816210 ZJJQLKGYGAFKHA-UHFFFAOYSA-N 371.374 3.357 30 50 FGEA CC(C)(CNC(=O)[C@]1(C#N)CCCNC1)c1ccc(Cl)c(Cl)c1 2325869102 YUCPZYUAGVPORG-KRWDZBQOSA-N 354.281 3.281 30 50 FGEA C=CCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 9935641 QQZASHXTRIIWKW-HSZRJFAPSA-N 371.440 3.349 30 50 FGEA biogenic N#Cc1cccnc1N1CCC(Oc2ccc(Cl)cc2)(C(=O)O)CC1 65528345 CMBNHMCNIWBXAQ-UHFFFAOYSA-N 357.797 3.109 30 50 FGEA N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4nc(CO)[nH]c4c3)cc2)C1 534584185 CILZHGNHRILHHM-AWEZNQCLSA-N 360.417 3.098 30 50 FGEA C=CCN1C(=O)S/C(=C\c2cn(CC(=O)OCC)c3ccccc23)C1=O 13881576 BRWNBNYZUGWHKR-YBEGLDIGSA-N 370.430 3.427 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)N=N1 2325893553 DSDOUHXHBFNLIM-SFHVURJKSA-N 366.465 3.245 30 50 FGEA Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1161836 JGRYVLIKPSKBEF-UFWORHAWSA-N 363.208 3.023 30 50 FGEA N#Cc1ccsc1N1CC[C@H](N2CCc3c([nH]c4ccccc34)C2)C1=O 126862254 VYZOVULLYFCATN-SFHVURJKSA-N 362.458 3.265 30 50 FGEA COc1ccccc1[C@@H]1O[C@@]23CCCC[C@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 239412404 SQOKEPRIYFHPFR-XAMWDVODSA-N 362.389 3.204 30 50 FGEA COc1nc(C)c(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(C)c1C#N 534654341 XPTMVWIBYUTHSM-KRWDZBQOSA-N 365.433 3.155 30 50 FGEA N#Cc1cn(Cc2ccc(OCC(F)(F)F)nc2)c2ccccc2c1=O 431234323 UXFQQXLXSGDBJY-UHFFFAOYSA-N 359.307 3.258 30 50 FGEA Cc1cc(C)n(C[C@@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)CCO2)n1 161979376 WUKXKBGOZZGNKN-INIZCTEOSA-N 364.371 3.296 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(OC)c1 100416617 WTZQHFZDTFPDRA-GOSISDBHSA-N 361.397 3.437 30 50 FGEA COc1cc(C(=O)N[C@H](C#N)C(C)(C)C)cc(OC)c1Br 241144850 JTQCIHONLZDYAQ-GFCCVEGCSA-N 355.232 3.134 30 50 FGEA Cc1cncc(N/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328640568 XMJGOESCGPKZAL-LLVKDONJSA-N 353.348 3.194 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)N=N1 952882011 OVDWMRGGEZHSTQ-INIZCTEOSA-N 354.454 3.374 30 50 FGEA C=CCc1ccccc1-c1nc(CC(C)C)nn1[C@@]1(C)CCS(=O)(=O)C1 1875340429 ARQBJXYAFLYJHK-FQEVSTJZSA-N 373.522 3.406 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2F)c2nccn2C)N=N1 2325891995 VNFDZRRNDWWICK-QGZVFWFLSA-N 353.401 3.121 30 50 FGEA Cc1ccc2c(C)c(C(=O)N3CCN(c4cccc(C#N)c4)C(=O)C3)oc2c1 82137557 CJAABJCPBMMOMG-UHFFFAOYSA-N 373.412 3.410 30 50 FGEA C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC=O)c1ccnc2ccc(OC)cc12 252623045 OITUCHBJLHBKMP-UFNANVBGSA-N 352.434 3.354 30 50 FGEA CC(C)Oc1ccc(/C=N\NS(=O)(=O)c2ccc(Cl)cc2)cc1 32200763 IUQUYZOBKFMGIC-WQRHYEAKSA-N 352.843 3.440 30 50 FGEA COc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2cccc(C)c2)S1 5124055 HJZZBLXKBXEDRX-RONKMWSCSA-N 353.447 3.168 30 50 FGEA C[C@H](O)CCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)CC1 100013204 PPYRMVKHPFIXEU-RUQNFNNYSA-N 350.455 3.315 30 50 FGEA in-vitro Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(CCCC#N)c2ccccc21 2846450 RUMWHFRFFDXLIQ-HXUWFJFHSA-N 352.390 3.007 30 50 FGEA Cc1nc(C)c(I)c(Oc2ccc(C#N)cc2)n1 4050624 YZGKDCHEALWYAX-UHFFFAOYSA-N 351.147 3.362 30 50 FGEA CCn1ccnc1[C@H]1CCCCN1/C(O)=N/C[C@H]1CCCN1CC(C)C 330274515 KGDNYRVDZPHBQG-QZTJIDSGSA-N 361.534 3.464 30 50 FGEA CCCC(=O)N1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(C)c3)c2C1 72436311 OZFSFBVQLHDDQA-UHFFFAOYSA-N 364.449 3.204 30 50 FGEA COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1OC 13124997 PHIPFFIOAKIXKT-INIZCTEOSA-N 373.792 3.223 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccco1)c1ccc(F)cc1 15961967 PNPZDADSFMQDJG-PBHICJAKSA-N 371.364 3.176 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1O 19300832 VXNDBBXIVOBXGK-KRWDZBQOSA-N 371.433 3.178 30 50 FGEA N#Cc1cccc(-c2cnc(CN=c3[nH]c4ccccc4n4cncc34)[nH]2)c1 1875312692 PXQGWSQFWPHOBX-UHFFFAOYSA-N 365.400 3.178 30 50 FGEA CCC/C(Nc1ccccc1O)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100468652 MPNMRRFBMQAVMV-HJUDDPQBSA-N 359.422 3.216 30 50 FGEA CN1CCN(c2nc(-c3ccccc3)nc(-c3ccccc3)c2C#N)CC1 1393449 PVSSXSWACOFACA-UHFFFAOYSA-N 355.445 3.434 30 50 FGEA Cc1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c1C#N 157126298 OOGLWWUFNCINGL-SFHVURJKSA-N 370.474 3.408 30 50 FGEA CCn1cc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)cc1C#N 1565529578 BWIKBBGBXVLONM-PXNSSMCTSA-N 362.477 3.116 30 50 FGEA C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl 22339118 PGQGGNDQUQDCRM-NXEZZACHSA-N 352.645 3.300 30 50 FGEA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)cc1 175154408 QOBLCLBXKKMWNU-NRFANRHFSA-N 362.477 3.222 30 50 FGEA N#Cc1ccc(N2CCC[C@@H](N3CCC(Cc4cccnc4)CC3)C2=O)cc1 329461072 SLCDUKTWVYYYSO-JOCHJYFZSA-N 374.488 3.403 30 50 FGEA O=[N+]([O-])C(=N\Nc1ccc([N+](=O)[O-])cc1)/N=N/c1ccc([N+](=O)[O-])cc1 95676835 UJQSNHGUOUEVPP-ZJXJWLBESA-N 359.258 3.247 30 50 FGEA CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2cc(C#N)ccc2=O)cc1 331895091 JGHWVLJRTMDHIR-IBGZPJMESA-N 363.461 3.381 30 50 FGEA CC/N=C1/S[C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC 102425211 POUYHGGAOYKPBF-FTRNENOISA-N 373.400 3.374 30 50 FGEA CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccn2)C2=C(CCCC2=O)N1 1124116 NZFUXJQNUMCFMF-FQEVSTJZSA-N 360.417 3.083 30 50 FGEA COc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)cc(OC)c1Br 241144851 JTQCIHONLZDYAQ-LBPRGKRZSA-N 355.232 3.134 30 50 FGEA Cc1nc(N(C)C)nc(-c2ccc(C(=O)N3CCC[C@H](C#N)C3)cc2)c1C 426419934 ACKUYSAQEOAKFY-MRXNPFEDSA-N 363.465 3.202 30 50 FGEA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 245226725 JPCGWOYOTGHICZ-YPTNZUMGSA-N 350.349 3.227 30 50 FGEA CCCCCCCNC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O 299738265 OZICOLVJEDSQFA-UHFFFAOYSA-N 355.438 3.321 30 50 FGEA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1nc2c(cc1C#N)CCCC2 858007947 FSYOSBVOMKNIBC-MAUKXSAKSA-N 351.454 3.145 30 50 FGEA COc1ccc([C@H](C#N)C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1OC 1613705 MYAVAOPLQUFUGE-AWEZNQCLSA-N 372.808 3.481 30 50 FGEA C=CCN(c1ccc(C(=O)Nc2c(F)cccc2F)cc1)S(C)(=O)=O 2880008 ZNUNIUPKXRBIDR-UHFFFAOYSA-N 366.389 3.169 30 50 FGEA C#CCN(Cc1ccco1)C(=O)CCC(=O)Nc1ccc(F)c(Cl)c1 55383573 AIVOPCCTNJAKLJ-UHFFFAOYSA-N 362.788 3.453 30 50 FGEA N#Cc1ccc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)nc1 72145369 KXYDNMJLYZENBK-ZLGUVYLKSA-N 366.415 3.298 30 50 FGEA C#CCCC1(CCC(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)N=N1 1875382156 SPFSEXLCHRQKMS-UHFFFAOYSA-N 365.412 3.252 30 50 FGEA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(C#N)cc1 2857064 WAFCFKDPZPFLMG-GOSISDBHSA-N 363.442 3.051 30 50 FGEA C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 27639169 RXYQCXVUMLSFHM-CQSXSBKOSA-N 350.455 3.027 30 50 FGEA in-vitro C=CCN1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1 67713723 BFQFLZKWGLZFGI-LJQANCHMSA-N 354.454 3.032 30 50 FGEA CCn1cc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cc1C#N 92019293 BWIKBBGBXVLONM-YLJYHZDGSA-N 362.477 3.116 30 50 FGEA N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c1 95358321 ITFJGDKBKOYPFD-GHTZIAJQSA-N 363.436 3.434 30 50 FGEA O/C(=N/[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCc2nn[nH]c2C1 329049365 WASMTBMQUMLHTB-JVXZTZIISA-N 353.209 3.307 30 50 FGEA CCn1nccc1[C@@H]1OCC[C@H]1C/N=C(/O)[C@@H]1COc2ccccc2C1 329950865 MBIJDNKDHSPIFL-TXPKVOOTSA-N 355.438 3.188 30 50 FGEA N#CCCN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C1CC1 1875255698 PPAKGEXOGPJBQW-UHFFFAOYSA-N 359.227 3.357 30 50 FGEA C#CCCC1(CCNC(=O)c2cnc(COc3ccccc3)s2)N=N1 2325891452 HIQCUVFHGVXBOA-UHFFFAOYSA-N 354.435 3.418 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc3cc(C(=O)OC)cnc23)N=N1 2325891774 NFZCHVLEUHHIPH-UHFFFAOYSA-N 350.378 3.316 30 50 FGEA Cc1nc(CC2CC2)sc1/C(O)=N/C1CCN(c2nccn2C)CC1 328717067 FCOHGYAUMFSGDB-UHFFFAOYSA-N 359.499 3.111 30 50 FGEA C/C(=N\N)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/N)CC[C@]4(C)[C@H]3CC[C@@]21C 253498929 BAGRWRUJCMXJQI-SHTYJELZSA-N 358.530 3.330 30 50 FGEA biogenic O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccnc1)n1ncnc1N2 5371813 SUSQKKGZOLAXTG-AUUYWEPGSA-N 361.380 3.228 30 50 FGEA C=CCSc1nnc([C@@H]2CCCN(Cc3cccc(OC)c3O)C2)n1C 14960019 HLEROBYWLXHTFZ-OAHLLOKOSA-N 374.510 3.187 30 50 FGEA Cn1cc(C[C@@H](CO)C/N=C(/O)CCc2cccc(Cl)c2Cl)cn1 328591454 BXYWZDAETKNXIH-CYBMUJFWSA-N 370.280 3.467 30 50 FGEA Cc1cc(C)nc(/N=C2\N=C(O)C[C@@H](C(=O)O)N2c2cccc(Cl)c2)n1 1896754 AGJLBHQGHCFNKM-ZDUSSCGKSA-N 373.800 3.054 30 50 FGEA C=CCOC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C 2665897 BPPLTLKUCPWCCL-UHFFFAOYSA-N 360.435 3.429 30 50 FGEA Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc2ccccc2[nH]c1=O 113471476 FPNUDBPTYDAURM-UHFFFAOYSA-N 373.368 3.449 30 50 FGEA N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)cn1 1565508691 IQOKSIGYDHAJKF-KNQAVFIVSA-N 374.488 3.122 30 50 FGEA COc1ccc([C@H](C#N)C(=O)C(=O)Nc2ccc(C)cc2C)cc1OC 5681662 IMGLDTRIKYILHI-HNNXBMFYSA-N 352.390 3.136 30 50 FGEA C#CCCC1(CCNC(=O)c2ccccc2NC(=O)N2CCCCC2)N=N1 2325891433 GMPBWVPZVOUSGF-UHFFFAOYSA-N 367.453 3.400 30 50 FGEA C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 27639175 RXYQCXVUMLSFHM-HCLDBPGNSA-N 350.455 3.027 30 50 FGEA in-vitro N#Cc1cccc(C#N)c1N1CC[C@H](Oc2cccnc2N2CCCC2)C1 377159196 PMOQCKWLGOIAFZ-SFHVURJKSA-N 359.433 3.083 30 50 FGEA N#Cc1ccc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)nc1 72149968 KXYDNMJLYZENBK-MAODMQOUSA-N 366.415 3.298 30 50 FGEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1c(O)ccc3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226556 CATCDIJZYNTTGI-CZNWPVSFSA-N 358.397 3.077 30 50 FGEA O/C(=N/CCC1Cc2ccccc2C1)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 329581267 XDAKNWRIMQJYHG-WZGNDQMWSA-N 354.494 3.379 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)N=N1 1875381825 ITKVLRQHKGVYQK-UHFFFAOYSA-N 363.425 3.278 30 50 FGEA CN1C(=O)C[C@@H](C(=O)O)S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 100083246 OTDZQKKIVGYXEF-RCBPSORQSA-N 366.748 3.395 30 50 FGEA C#CCCC1(CCNC(=O)c2cccc3c2nc(O)n3CC(C)(C)C)N=N1 2325891689 WCSFVVITBAINKL-UHFFFAOYSA-N 367.453 3.483 30 50 FGEA CC(C)c1nccn1CCC(O)=Nc1cccc(CN2CC[C@H](O)C2)c1 328596297 DDTMUAJFJSBABB-SFHVURJKSA-N 356.470 3.251 30 50 FGEA CCCc1noc(CN(C)C(=O)c2cccc(-c3cccnc3C#N)c2)n1 299778057 PBTZNUOJORDWGY-UHFFFAOYSA-N 361.405 3.228 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 4281342 UNGKFOPPRUHBDR-UHFFFAOYSA-N 356.422 3.479 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccccc2NC2CCN(C)CC2)N=N1 2325892738 ZQHSHCWFHHKPEU-UHFFFAOYSA-N 353.470 3.487 30 50 FGEA CCCCCCCCCCCCNC(=O)C[n+]1cccc(C(=O)NC)c1 100857773 VGWJLZDJWFDWON-UHFFFAOYSA-O 362.538 3.371 30 50 FGEA CC(C)n1ncc2c1C[C@H](/N=C(/O)N1CCN(c3cccs3)CC1)CC2 330102542 IKIMGFKWRGCKFT-MRXNPFEDSA-N 373.526 3.119 30 50 FGEA Cn1cc(/C(O)=N/C[C@@H]2CCO[C@H]2c2ccc(F)cc2)c([C@H]2CCOC2)n1 328895256 BHCQMIHQDGUHGL-DOXZYTNZSA-N 373.428 3.146 30 50 FGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2ccnc3[nH]ncc23)C1 1857720506 XDHGHQUSSHIZGB-OAHLLOKOSA-N 363.421 3.134 30 50 FGEA Cc1oc2ccccc2c1C/N=C(/O)N1CC(C)(C)O[C@]2(CCOC2)C1 329971632 VPYKPISILJICCO-HXUWFJFHSA-N 358.438 3.425 30 50 FGEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 915192 UMPKHGZYBMEVJB-QHCPKHFHSA-N 359.425 3.006 30 50 FGEA C=CCN(Cc1cccc(OC)c1)Cc1cn(CC(N)=O)c2ccccc12 55371076 IRWGEUTZTBOOQC-UHFFFAOYSA-N 363.461 3.323 30 50 FGEA COc1cc(Br)ccc1CCC/N=C(/O)N1CCOC[C@H]1C 331287676 NZHYBFLRDGWXCN-GFCCVEGCSA-N 371.275 3.025 30 50 FGEA COc1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 77520828 TWGGGTBCVAVQJN-QGZVFWFLSA-N 350.418 3.498 30 50 FGEA C[C@@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N 332662789 NMLAYRLSBPWGQK-RDTXWAMCSA-N 358.438 3.405 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3ccccc3C1)CC2 91625797 CHUNRKBOHADBCM-FQEVSTJZSA-N 366.505 3.209 30 50 FGEA CC1=C(C)CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 408339701 LXVHBBOMVTZFPF-UHFFFAOYSA-N 355.257 3.052 30 50 FGEA CC1(C)OB(c2cc(C(F)(F)F)ncc2Br)OC1(C)C 208396110 AQNWWTZOKSUNHK-UHFFFAOYSA-N 351.959 3.162 30 50 FGEA CCc1c(C)sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C#N 5681068 LKXSSLNHEVRJDF-UHFFFAOYSA-N 363.464 3.250 30 50 FGEA COc1ccc(C(O)=NN=C(O)[C@H]2CCc3cccc(O)c32)cc1OC 328595889 JAGSUBKSNYJZPF-ZDUSSCGKSA-N 356.378 3.316 30 50 FGEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccc3ccc(F)cc3n2)C1 328613283 RKSSQKMJTNWKBE-GOSISDBHSA-N 355.373 3.147 30 50 FGEA C=CCn1c(=N)n(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc21 19733305 UIEXGTBWIWQHIP-OAHLLOKOSA-N 357.841 3.202 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccc(F)cc1 1220372 RBKPDGDCISCQOV-INIZCTEOSA-N 355.321 3.013 30 50 FGEA Cn1cncc1[C@H]1[C@H](/N=C(/O)CC2=CCCCC2)CCC(=O)N1C1CC1 329033157 QJJYDOHJLINDRR-OXQOHEQNSA-N 356.470 3.462 30 50 FGEA Cc1nn(CCO)c(C)c1-c1cc(-c2c[nH]c3ccccc23)nc(N)c1C#N 71751957 RDWHBUSSPRIYSD-UHFFFAOYSA-N 372.432 3.156 30 50 FGEA N#Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccncc3Cl)C2)cc1 826779503 VMPAZLQVKIVRDI-KRWDZBQOSA-N 368.868 3.249 30 50 FGEA COc1c(C)cccc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1772712618 WLNAJDLDZYVZLO-UHFFFAOYSA-N 363.461 3.223 30 50 FGEA C=CCOCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 16192594 SVRQAHCEAVMOSF-ZAYGCWILSA-N 359.425 3.081 30 50 FGEA Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)C#CC(C)C 952895391 UTIUAYMXGHCLSX-IBGZPJMESA-N 369.440 3.188 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)o1 55393051 QTEGTARMEMTYSK-KRWDZBQOSA-N 373.474 3.285 30 50 FGEA C=CCN(Cc1ccccn1)c1nc(CCN)nc2sc(C)c(C)c12 65460619 OJCXRKCHICEEDZ-UHFFFAOYSA-N 353.495 3.397 30 50 FGEA O/C(=N/C1(c2ccc3c(c2)OCO3)CC1)c1coc(C2CCOCC2)n1 328840842 ZHFXBHVIRAIOOJ-UHFFFAOYSA-N 356.378 3.291 30 50 FGEA Cc1cc(NCCS(=O)(=O)C(C)(C)C)n2c(nc3ccccc32)c1C#N 170626393 RBWITYCIPGNYSK-UHFFFAOYSA-N 370.478 3.293 30 50 FGEA COc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)c(OC)c1 4596702 PSFLHCJAYALTQC-KEBDBYFISA-N 362.393 3.278 30 50 FGEA N#CC1CN(C(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)C1 1857735216 NFLVYDLSLXDMKR-GFCCVEGCSA-N 358.829 3.070 30 50 FGEA O=C(C/N=C(/O)CC1CCCC1)N1CCC[C@@H](Oc2ncccc2F)C1 330142151 QJBCPBPMSRIVIJ-OAHLLOKOSA-N 363.433 3.127 30 50 FGEA C=CCc1ccccc1OCCN(C)Cc1ccc(S(C)(=O)=O)cc1 55227047 AMUFYUFTCYYASW-UHFFFAOYSA-N 359.491 3.329 30 50 FGEA C=C(C)COc1ccc(C(=O)NCc2csc(-c3cnccn3)n2)cc1 55325460 PXGZAOIAQFBEOD-UHFFFAOYSA-N 366.446 3.485 30 50 FGEA C#CCN(Cc1ccc(F)cc1)C(=O)CC(=O)Nc1cccc(C)c1C 65381565 NIXXVJUKXNSQHF-UHFFFAOYSA-N 352.409 3.433 30 50 FGEA C=CCc1c(C)nc(N)nc1NC[C@@H](c1ccc(F)cc1)N1CCCC1 91604491 MHJMCRXQFKHFSQ-SFHVURJKSA-N 355.461 3.484 30 50 FGEA Cc1cc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)nn1-c1ccc(F)cc1F 813873645 NFWAQTLYUQYLCA-SFHVURJKSA-N 368.343 3.003 30 50 FGEA N#Cc1cccc(C(=O)NCCc2cc(C3CC3)on2)c1Br 2325792670 BWEZUETYJWEPGJ-UHFFFAOYSA-N 360.211 3.159 30 50 FGEA C#C[C@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCC(=C(F)F)CC1 2325872538 CAVBCNQIYFRZRG-WBQNTZJQSA-N 364.436 3.140 30 50 FGEA CCOC(=O)N1CCc2nc(N)c(C#N)c(-c3ccc4occc4c3)c2C1 72146391 SFESOOQHPYTPCA-UHFFFAOYSA-N 362.389 3.463 30 50 FGEA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1ncccc1C#N)CC2 275522791 DEWKNSPYEHHFTH-SFHVURJKSA-N 366.490 3.422 30 50 FGEA CCn1nc2c(c1C(=O)N(C)Cc1cccc(C#N)c1)C[C@H](C)O[C@@H]2C 1875314263 PGIJGSAOMYDETE-UONOGXRCSA-N 352.438 3.069 30 50 FGEA Cc1cccc(F)c1-n1nc(C(=O)[C@H](C#N)c2ccncn2)c2c1CCC2 422128269 YYRSZKGFAIUECY-CQSZACIVSA-N 361.380 3.089 30 50 FGEA C=C(Cl)CSc1nnc([C@@H](Cc2ccccc2)NC(=O)CC)n1C 12244574 HSNKWAZHMHVOST-CQSZACIVSA-N 364.902 3.470 30 50 FGEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)n[nH]c21 1857528592 OHVYPYQQSGOBKV-KGLIPLIRSA-N 364.449 3.323 30 50 FGEA N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=NC[C@@H]1NCCc2ccccc21 2325857426 AXHFUBFDXQIYKD-INIZCTEOSA-N 368.362 3.245 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 3187802 PRBGBZGUEIDCPH-MRXNPFEDSA-N 371.433 3.186 30 50 FGEA N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 4904808 GRWQQTIQIKOIHG-UHFFFAOYSA-N 354.149 3.379 30 50 FGEA COCc1cc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)ccc1OC 102370408 JHXOEIXUOUJNQY-UHFFFAOYSA-N 350.422 3.055 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)NCc2cn[nH]c2-c2cccs2)cc1 67540574 BPIQBGLUTWMECJ-UHFFFAOYSA-N 365.458 3.191 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 95517509 VPUZEEDZXPCELV-UHFFFAOYSA-N 371.444 3.218 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1/C=C/c1ccccc1 2502063 HGDYABGMCQSIGC-ZNFPLGDCSA-N 368.458 3.407 30 50 FGEA C=CCn1cc(CN(Cc2ccc3c(c2)OCO3)[C@H](C)COC)c(C)n1 55197995 GPFMAALXUFMZAJ-OAHLLOKOSA-N 357.454 3.143 30 50 FGEA Cc1c(CN(C)Cc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cnn1C 67675563 VNCIZFUFAWTIRG-UHFFFAOYSA-N 373.460 3.485 30 50 FGEA CC(C)n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H](C)c1nnc2n1CCCC2 328604490 KERJVZCXTTULTP-ZQIUZPCESA-N 372.473 3.187 30 50 FGEA Cc1ccc(-n2cccn2)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)c1 71552135 ZHCFPJDNVHSZJI-XJKSGUPXSA-N 356.433 3.046 30 50 FGEA Cc1ccc2c(CN3CCN(Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 20407888 BBRBPNFJZHCCBA-UHFFFAOYSA-N 373.456 3.291 30 50 FGEA Cc1cc(S(=O)(=O)N2C[C@H](C)CN(C)c3ccccc32)ccc1C#N 408436256 APCTXELKCZXZTB-CQSZACIVSA-N 355.463 3.148 30 50 FGEA CC(C(=O)N(C)Cc1ccc(C#N)cc1)=C1CN(C(=O)OC(C)(C)C)C1 170600642 XIZZUZPQESPQHH-UHFFFAOYSA-N 355.438 3.084 30 50 FGEA Cc1cc(NCC/N=C(/O)COc2ccc(Cl)c3cccnc23)n(C)n1 328591440 WEOSZASYGSSRSG-UHFFFAOYSA-N 373.844 3.378 30 50 FGEA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 1875302821 IDYLPJPZNVTWAH-RISCZKNCSA-N 366.248 3.099 30 50 FGEA C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1ccc(OC)cc1 6701120 MXQLUTHFCGYWNP-UHFFFAOYSA-N 360.483 3.402 30 50 FGEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1ccccc1 6813731 VCDVNHZCBGTZQK-IBGZPJMESA-N 371.396 3.255 30 50 FGEA COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C\c1cc(OC)ccc1O 104212317 BMYDPYFIJBSWEN-AIRTYWKNSA-N 352.390 3.085 30 50 FGEA CC[C@H](C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1)c1ccccc1 9184036 XIPNCYFXMODNJJ-KRWDZBQOSA-N 360.421 3.283 30 50 FGEA CC(C)n1c(S)nnc1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 125717146 FHSAYBQRPPGLDR-UHFFFAOYSA-N 358.471 3.271 30 50 FGEA CC[C@H](CNC(=O)c1cccc(-c2cccc(C#N)c2)c1)N1CCOCC1 426537843 ZLGMYTJDJPMZSE-OAQYLSRUSA-N 363.461 3.066 30 50 FGEA C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C#N)C1 239274642 AMFVLUWXGBRYTC-DQJMSKHYSA-N 356.447 3.206 30 50 FGEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@H]2CCn2cccn2)c1 952976770 HWDGZZZSSOIGHH-FQEVSTJZSA-N 365.477 3.091 30 50 FGEA C=CCc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)ccc1OC 952961332 CEOQFWAVGLVVHU-CYBMUJFWSA-N 366.417 3.420 30 50 FGEA N#Cc1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)n[nH]3)C2)c1 169754235 FXDCFSJMSFNONO-OAHLLOKOSA-N 363.446 3.019 30 50 FGEA C#CCCC1(CCC(=O)N2CCCCCCNC(=O)[C@H]3CCC[C@@H]32)N=N1 1875368741 MXNOQAMKQOKCRA-IRXDYDNUSA-N 358.486 3.030 30 50 FGEA CCCCCCCN[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 100095852 KKOFMYNHUDLHJO-QGZVFWFLSA-N 360.454 3.055 30 50 FGEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 19831045 RRZCPCGOTZGOFJ-KDOFPFPSSA-N 373.474 3.438 30 50 FGEA C#CCCC1(CCNC(=O)c2c(-c3ccccc3)nc3ncccn23)N=N1 2325900430 YRHNCMOMDPUXMW-UHFFFAOYSA-N 358.405 3.092 30 50 FGEA Cc1ccnc(N=C(O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)c1 328627691 GMSUTFITRBNPRV-INIZCTEOSA-N 368.485 3.363 30 50 FGEA CC(C)(C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)c1cccnc1 864236030 WMAYPZYCBDNDIU-UHFFFAOYSA-N 358.291 3.444 30 50 FGEA C=C(C)COc1cccc(C(=O)NCC2CCN(C(=O)C3CC3)CC2)c1 55255882 HSXUPYIYGXQGHW-UHFFFAOYSA-N 356.466 3.020 30 50 FGEA Cc1cc(C)cc(C(=O)N2CCC[C@@H](/C(O)=N/CCN3CC=CCC3)C2)c1 329121413 WBTYYRNNGVMKOO-LJQANCHMSA-N 369.509 3.374 30 50 FGEA Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)c1 5647886 VSAXOVAXJXMGLY-YDDPGSGASA-N 368.418 3.067 30 50 FGEA CN(Cc1cc(C#CCO)cs1)[C@@H]1CCCN(CCc2ccccc2)C1 19227388 VGQZJFRUXCXYDP-OAQYLSRUSA-N 368.546 3.231 30 50 FGEA C#CCCCn1nc(C2CCN(C(=O)OC(C)(C)C)CC2)c2c1CCOC2 888096743 KJZXUWJEFLOGLW-UHFFFAOYSA-N 373.497 3.484 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC)cc1 2967610 STLVBGHFTMZCKT-KRWDZBQOSA-N 372.446 3.075 30 50 FGEA Cc1ccnc(N=C(O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328617388 CQQKCUOESOQFPV-GFCCVEGCSA-N 367.375 3.345 30 50 FGEA Cc1onc(CC(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c1C#N 331551195 DQRSLVUDSFTWAV-PIGZYNQJSA-N 359.813 3.039 30 50 FGEA CSc1nc(N)nc(SCC(=O)c2ccc(Cl)s2)c1C#N 1754872 QBJONJFPNHFYRF-UHFFFAOYSA-N 356.885 3.342 30 50 FGEA C=CCn1cc([C@H]2CC(=O)Nc3cc(NC(=O)c4cccnc4)ccc32)cn1 65395607 VGHQTRBWSIYKCF-GOSISDBHSA-N 373.416 3.191 30 50 FGEA Cc1ccc([C@@H]2C[C@H](C)N(/C(O)=N/C[C@@H]3CCCCS3(=O)=O)C2)cc1 330248752 ZMMTYGJTXOKIDC-JQHSSLGASA-N 364.511 3.054 30 50 FGEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(Cl)cc1)C2 14752009 CDYPRKVUCOUQFN-INIZCTEOSA-N 372.900 3.071 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(Cc3nnc4ncccn34)cc2)N=N1 2325892482 OSYORECPVZIJCC-UHFFFAOYSA-N 373.420 3.009 30 50 FGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cc(F)cc(Cl)c2)C1 328648078 UKAIFGKKCMUTTE-UHFFFAOYSA-N 354.809 3.111 30 50 FGEA O=S1(=O)CCC[C@H](/N=C(/O)N2CCC[C@@H]2c2cccc3ccccc23)C1 329818619 GHDVORCQIGKJDU-QFBILLFUSA-N 372.490 3.468 30 50 FGEA CCc1nnc(N2CCN(c3cc(F)ccc3F)CC2)c(C#N)c1CC 301646605 PSCKQWHVUAKSCX-UHFFFAOYSA-N 357.408 3.078 30 50 FGEA C=C(C)CN(CC)C(=O)CCc1nnc(CCc2cccc(OC)c2)o1 12091264 XFOQSPYUANRQSH-UHFFFAOYSA-N 357.454 3.221 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)COc2cccc3ccccc23)cc1 4689782 FKGRTNVDYROKDB-UHFFFAOYSA-N 350.374 3.091 30 50 FGEA Cc1[nH]c2ccc(C#N)cc2c1CCNc1cc([C@@H]2CCCNC2)ncn1 67758918 ONANWBHLKXBTFS-MRXNPFEDSA-N 360.465 3.260 30 50 FGEA C=CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 5050947 BCHQZNDSNVHUMF-GHRIWEEISA-N 352.346 3.095 30 50 FGEA C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 2947115 LHXSDTQBZZVOIL-QGOAFFKASA-N 362.385 3.226 30 50 FGEA Cc1cc(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)nc(C)c1C#N 2356161910 PCGMXKZUQQLJJR-UHFFFAOYSA-N 362.477 3.445 30 50 FGEA Cc1nnc(SCC(=O)N(CC#Cc2ccccc2)C2CCCC2)o1 65403308 QSSNYLNBCXPYGS-UHFFFAOYSA-N 355.463 3.293 30 50 FGEA CCN1CCC[C@@H](CN(C)C(O)=Nc2cccc(C)n2)[C@@H]1c1cnn(C)c1 328619925 GLSCDNVGURDPBG-QFBILLFUSA-N 370.501 3.074 30 50 FGEA Cc1ccc(OC2(C(=O)O)CCN(Cc3ccc(C#N)cc3)CC2)cc1 72425538 YGNYEIYUNFGBDV-UHFFFAOYSA-N 350.418 3.365 30 50 FGEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@@H]1CCCC[C@@]1(O3)O[C@H]2c1cccc(F)c1 245329456 ZEXNXFUAFZIXDX-JCTKKGROSA-N 350.353 3.223 30 50 FGEA CC[C@@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)c1ccnn1C 534640075 YENGAYGNIMKSGI-QGZVFWFLSA-N 351.454 3.138 30 50 FGEA CC/C(Nc1ccc(OC)cc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100157959 HGKUOAMKEACCON-ZQHZRZASSA-N 359.422 3.129 30 50 FGEA COc1nccc(N2CCc3onc(-c4cccc(F)c4)c3C2)c1C#N 67884709 FQBLALRLZJDBDK-UHFFFAOYSA-N 350.353 3.319 30 50 FGEA C=CCn1cc(-c2c(C#N)c(N)nc3c2CN(c2ccccc2F)CC3)cn1 72130872 VIDLIEJCNZPTRJ-UHFFFAOYSA-N 374.423 3.287 30 50 FGEA C=C(Cl)Cn1c(=O)c(CNC[C@@H]2CCCO2)cc2ccc(F)cc21 11783661 UTRYYEVQKJTSIH-INIZCTEOSA-N 350.821 3.162 30 50 FGEA N#Cc1ccc(N2CC[C@@H]3[C@@H](CCCN3C(=O)c3ccc(F)s3)C2)nc1 1875280436 JIPOPLFOHLTZLV-LSDHHAIUSA-N 370.453 3.285 30 50 FGEA C#CCCC1(CCC(=O)N2CC=C(n3c(O)nc4ccccc43)CC2)N=N1 2325892003 WSUBARXPVFFWQD-UHFFFAOYSA-N 363.421 3.171 30 50 FGEA C#CCCC1(CCC(=O)NCCN(C)Cc2cnc3ccccc3c2)N=N1 2325900062 JPSDQLNYBLBZAW-UHFFFAOYSA-N 363.465 3.139 30 50 FGEA Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCc1cn(C)cn1 1466986306 UMWAPPQXEAMBHX-UHFFFAOYSA-N 362.393 3.109 30 50 FGEA CC1CCC(N(C(=O)CON=C2CCC3(CC2)OCCO3)C2CC2)CC1 113249180 QONGVSVMYHSQGI-UHFFFAOYSA-N 364.486 3.246 30 50 FGEA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccc(F)c(C#N)c2)n1C 328636963 OJWWJKJMSKCRMD-GOSISDBHSA-N 354.429 3.123 30 50 FGEA N#Cc1ccc(Nc2cccc(C(=O)N3CC(F)(F)C[C@H]3CO)c2)cc1 372545119 HWYIEEBQEWARPH-KRWDZBQOSA-N 357.360 3.144 30 50 FGEA C/C(=N\N)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\N)CC[C@@]4(C)[C@@H]3CC[C@]21C 253500245 BAGRWRUJCMXJQI-JWMSNIAOSA-N 358.530 3.330 30 50 FGEA O=S(=O)(/N=C(\O)Nc1ccc(Br)cc1)c1ccccc1 26480696 FDMHRPJJXLTWLQ-UHFFFAOYSA-N 355.213 3.164 30 50 FGEA N#Cc1cc2c(nc1N1CCN(c3cncc4ccccc34)CC1)CCC2 329422104 DXKSELXAICCDJQ-UHFFFAOYSA-N 355.445 3.317 30 50 FGEA Cc1cc(C(=O)N2CC(=O)N(c3ccc(C#N)cc3)C[C@H]2C)ccc1Cl 82107596 CRLZZESILBULEM-CQSZACIVSA-N 367.836 3.398 30 50 FGEA C[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@H](c2ccc(F)cc2)O1 246627876 HPMAQRBRLUNPCM-MDZRGWNJSA-N 373.472 3.319 30 50 FGEA C=CCn1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)cn1 65371840 GPGMLFDNBGHAAP-QRVBRYPASA-N 361.392 3.445 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H]2c2ccc(C(N)=O)s2)cc1 20857260 DDIDDBKCMIQZDT-QGZVFWFLSA-N 368.502 3.307 30 50 FGEA Cc1nn(C)c(C)c1CN(C(=O)c1cccc(C#CC(C)(C)O)c1)C(C)C 65433571 YUXLLEPKPFURJX-UHFFFAOYSA-N 367.493 3.210 30 50 FGEA CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc([N+](=O)[O-])c1O 13914070 FDVGCEOMGZKPAL-JYRVWZFOSA-N 354.318 3.044 30 50 FGEA CCCC[C@@H](CN=c1ccc(C#N)n[nH]1)NC(=O)[C@H]1CC[C@H](CC)CC1 1875328060 WKJFJWXQVRTXNC-BQFCYCMXSA-N 357.502 3.073 30 50 FGEA N#Cc1cccnc1N1CCC(NC(=O)C[C@H]2CCc3ccccc32)CC1 91547385 JCFHRPDHCWRBQA-QGZVFWFLSA-N 360.461 3.158 30 50 FGEA N#Cc1c(-c2cccnc2)cc(-c2ccc(N3CCOCC3)cc2)nc1N 71749274 XZRPEQFFHUXOAA-UHFFFAOYSA-N 357.417 3.101 30 50 FGEA C#CCCC1(CCC(=O)NC2(Cc3cccc(F)c3)CCOCC2)N=N1 952882200 SHAIPHWKZSEGCN-UHFFFAOYSA-N 357.429 3.389 30 50 FGEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 2325807029 VOFGGOKTVTWCAE-AVRDEDQJSA-N 372.509 3.023 30 50 FGEA CC(C)c1cc(C2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)CC2)[nH]n1 67852344 RAUFPHUEYGQPSQ-UHFFFAOYSA-N 369.465 3.268 30 50 FGEA Cc1nn(C)cc1-c1cc(-c2ccc(-n3cccn3)cc2)c(C#N)c(N)n1 71762474 VLIUHTGNEGOFQY-UHFFFAOYSA-N 355.405 3.097 30 50 FGEA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1ccccc1C#N 82106651 JSUUIELGQNULKL-CYBMUJFWSA-N 353.809 3.089 30 50 FGEA C=CCc1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)ccc1OC 1506413752 VDAMRJMMGPDHNU-UHFFFAOYSA-N 365.477 3.167 30 50 FGEA NC(=O)c1cccc(/N=C/c2ccc(/C=N/c3cccc(C(N)=O)c3)cc2)c1 671738 OQRDFAQPOZCROF-BKHCZYBLSA-N 370.412 3.386 30 50 FGEA C=CCSc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 12343947 YMJLUUJRVZAKHF-UHFFFAOYSA-N 363.493 3.423 30 50 FGEA C#CCCC1(CCC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)N=N1 952883663 YQZRDBBATDVZGV-UHFFFAOYSA-N 368.481 3.085 30 50 FGEA Cc1cc(C#N)c(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)nn1 2325826773 MGZQPAWTDZGHBO-UHFFFAOYSA-N 351.387 3.282 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1F 20079645 MSALCNRHONXYEG-INIZCTEOSA-N 355.321 3.013 30 50 FGEA COc1ccc2c(c1)CCN(/C(O)=N/c1nc(Cc3ccccc3)n[nH]1)C2 48087883 NRUQFBDYEZGDQY-UHFFFAOYSA-N 363.421 3.008 30 50 FGEA CC1=CC(=O)[C@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)C3=CC[C@H]2S1(=O)=O 239309242 HIZIVFAFGQVLQJ-ZOXOGZHVSA-N 362.491 3.378 30 50 FGEA COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1OC 820221 JZTRJKQDMGFYFU-RGVLZGJSSA-N 354.435 3.470 30 50 FGEA Cc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)C(Br)=C2)cc1 16134196 VCVLDSKDWWFUQJ-CXUHLZMHSA-N 374.643 3.109 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)c2nn(-c3ccccc3)nc2C)N=N1 2325886828 KUQTXMIUYBKUCG-CQSZACIVSA-N 350.426 3.109 30 50 FGEA CCOc1ccc(NC(=O)N(C)Cc2noc(CC(C)C)n2)cc1C#N 96150021 OSNKDIKTEBVFPW-UHFFFAOYSA-N 357.414 3.202 30 50 FGEA N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565528935 ZGNAHYNNRXXAMY-XLIONFOSSA-N 363.436 3.434 30 50 FGEA Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(C#N)c(Cl)c3)nc2n1 2769484 QLEPCGGHKNEJNF-UHFFFAOYSA-N 362.727 3.148 30 50 FGEA Cc1nn(CCCn2c(SCC#N)nc3ccccc3c2=O)cc1Cl 2733773 YABSCEDMTHHJOY-UHFFFAOYSA-N 373.869 3.261 30 50 FGEA CC(C)c1noc([C@H](/N=C(/O)CC2(O)CCCC2)C2CCOCC2)n1 328610357 HJPBFYOXMHHIRS-OAHLLOKOSA-N 351.447 3.312 30 50 FGEA CCOc1ncc(/C(O)=N/[C@H]2CCCN(CC(F)(F)F)C2)cc1Cl 330611151 OMMJNBYNODWMAZ-NSHDSACASA-N 365.783 3.465 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(Cl)c1 636957 CBFGKGWMFYOFEP-QGZVFWFLSA-N 361.825 3.490 30 50 FGEA CC(C)c1ccc(-n2ccnc2SC[C@H](O)CN(C)CCC#N)cc1 414096563 LSZWHOTUMYGQBX-GOSISDBHSA-N 358.511 3.294 30 50 FGEA OCC#Cc1csc(CN2CCCN(CCCc3ccccc3)CC2)c1 952966917 XPAJVHDUKLMAQV-UHFFFAOYSA-N 368.546 3.232 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 4318702 FQMHZVXTYFVBMJ-UHFFFAOYSA-N 358.438 3.084 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 100436286 WPELEJXRUFCJNZ-IBGZPJMESA-N 354.450 3.284 30 50 FGEA N#Cc1ccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cn1 72469907 CHRVLHLSJVFUEO-JAXLGGSGSA-N 361.445 3.246 30 50 FGEA CC(=O)Nc1ccc(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)cc1 71749175 MUSGNPNOOCQOAD-UHFFFAOYSA-N 364.434 3.175 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccnc3ccccc13)CC2 91586735 FHORCRQGUXJNOO-UHFFFAOYSA-N 363.461 3.266 30 50 FGEA CC(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1 18168523 NOSDDQLEZXNITQ-HNNXBMFYSA-N 354.435 3.152 30 50 FGEA N#Cc1cc(F)ccc1-n1ccc(=NC(=O)Nc2cccc3cc[nH]c23)[nH]1 1875262647 FTLKAYRNFVTGMC-UHFFFAOYSA-N 360.352 3.430 30 50 FGEA N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)N3)c2)c1 1875315498 XJGOTUNMHFQRCO-PMACEKPBSA-N 374.444 3.280 30 50 FGEA CCc1cc(C)cc(OCCOc2cccc(/C=N/NC(N)=S)c2)c1 2969904 ULMJFXDDHCXYLY-FYJGNVAPSA-N 357.479 3.182 30 50 FGEA CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(=O)OC1CCCCC1 225761682 LQSNUMRKHQGDOW-FQEVSTJZSA-N 372.465 3.344 30 50 FGEA Cc1onc(CC(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c1C#N 331551192 DQRSLVUDSFTWAV-APPDUMDISA-N 359.813 3.039 30 50 FGEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 19831044 RRZCPCGOTZGOFJ-KSSFIOAISA-N 373.474 3.438 30 50 FGEA C=CCOc1c(Br)cc(CNCC2CCNCC2)cc1OC 10434740 ISBAWEAAELANDA-UHFFFAOYSA-N 369.303 3.112 30 50 FGEA C=CCSCC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67895733 IEVQEFMJZVSEAK-UHFFFAOYSA-N 356.447 3.094 30 50 FGEA C[C@@H]1C[C@H]1c1ccc(/C=C/C(O)=Nc2cccc(NC(=O)C(N)=O)c2)o1 328589560 QKDUTVARSIOBJD-VWEULIBQSA-N 353.378 3.128 30 50 FGEA O/C(C/N=C(/O)c1ccccc1CN1CCOCC1)=N/C1CCCCC1 329755130 XUESLVRGMMRYDI-UHFFFAOYSA-N 359.470 3.113 30 50 FGEA Cc1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1C#N 157126141 OOGLWWUFNCINGL-GOSISDBHSA-N 370.474 3.408 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1ccccc1OC)CC2 91663891 PXGJHLWGWKMISK-UHFFFAOYSA-N 370.493 3.045 30 50 FGEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)cc1 95529783 DRTVCPJYZRMSSB-HXUWFJFHSA-N 371.444 3.218 30 50 FGEA Cc1ccc(S(=O)(=O)O/N=C/c2ccc(Br)cc2)cc1 2132868 ONBLUQYGWWSADO-MHWRWJLKSA-N 354.225 3.497 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc3sc(C(=O)OC)nc3c2)N=N1 1875387565 NRLSFPBWGWUAKG-UHFFFAOYSA-N 356.407 3.377 30 50 FGEA CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CCC2 2781629 LZRZQQSFOAOFMN-UHFFFAOYSA-N 365.256 3.340 30 50 FGEA CC1(C)OB(c2cc([N+](=O)[O-])c(NC3CCCC3)cc2F)OC1(C)C 170003609 DWTZBHHCJPTIII-UHFFFAOYSA-N 350.199 3.388 30 50 FGEA N#CC1(c2ccc(C(=O)N3CC[C@@]4(CC(=O)c5ccccc5O4)C3)cc2)CC1 333991925 KNTUVXNVNMWQAD-HSZRJFAPSA-N 372.424 3.492 30 50 FGEA CC(C)(C)OC(=O)N1CCOc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 228938632 IHOSGMKSKBKOLZ-UHFFFAOYSA-N 361.247 3.120 30 50 FGEA CCOC(=O)/C(=N\Nc1ccc(OC)cc1)C(=O)CCc1ccccc1 3130698 XCMMPGSWHVUKNW-QOCHGBHMSA-N 354.406 3.228 30 50 FGEA C[C@@H](C1CC1)n1nc(CS(C)(=O)=O)nc1-c1cccc(C#CC2CC2)c1 1875348605 WOZJSJQCBDRNFP-AWEZNQCLSA-N 369.490 3.222 30 50 FGEA N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 21844068 QYAOQLLXSFQUEP-INIZCTEOSA-N 351.381 3.188 30 50 FGEA Cc1cc(-c2c(C#N)c(N)nc3c2CN(C(=O)c2cccnc2)CC3)oc1C 72124015 GQEMAZUIILHGNW-UHFFFAOYSA-N 373.416 3.006 30 50 FGEA C=CCOc1ccccc1NC(=O)N1CCC[C@@H](c2cc(O)nc(C)n2)C1 299766825 SIEQVCUGCPCAQX-OAHLLOKOSA-N 368.437 3.467 30 50 FGEA CCc1nc(C)c(CN2CCC[C@H](COc3ccc(C#N)cc3OC)C2)[nH]1 1857734967 APCIZKAREAYBLL-KRWDZBQOSA-N 368.481 3.452 30 50 FGEA CC1(C)C[C@@H](O)c2cccc(NC[C@H](O)COc3ccccc3C#N)c2O1 905606846 YFRFXJXEDDHIIU-MAUKXSAKSA-N 368.433 3.005 30 50 FGEA COc1ccccc1C/C(N)=N/OC(=O)c1ccc(Br)cc1 4933821 STZTZIPJPCZJNJ-UHFFFAOYSA-N 363.211 3.129 30 50 FGEA N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 332718265 ZYZIZRBTUZQVRJ-WCQYABFASA-N 363.343 3.446 30 50 FGEA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C2 895269101 DQZGPDVPOAMALQ-BZSOYRFXSA-N 356.514 3.142 30 50 FGEA C#CCCC1(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)N=N1 2325886278 BSHKUVQZNDSCBM-UHFFFAOYSA-N 352.482 3.122 30 50 FGEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 100245276 WZBAEDGOHDNMGV-OXJNMPFZSA-N 367.445 3.377 30 50 FGEA biogenic CCn1ccnc1[C@@H]1CCCCN1/C(O)=N/Cc1c(C)cc(C)nc1O 330297129 KQLIELVMWUHNMT-INIZCTEOSA-N 357.458 3.262 30 50 FGEA C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N(C)CC)nc2c1=O 72476402 DNGLAFRJWVTATK-UHFFFAOYSA-N 370.840 3.094 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 92028525 TUVOEEHUFWASRB-IBGZPJMESA-N 371.444 3.218 30 50 FGEA CC(C)(CCC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 754288322 FIXHQBKGVPFOOL-LJQANCHMSA-N 350.418 3.386 30 50 FGEA COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2ccc(O)cc2)C1=O 5067104 BQQOQZRDWZQMRK-GZTJUZNOSA-N 353.349 3.409 30 50 FGEA C=CCn1c(CN(C)Cc2ccsc2)nnc1SC[C@@H]1CCCO1 15005847 FXNKLTMMIOMFNE-HNNXBMFYSA-N 364.540 3.429 30 50 FGEA N#Cc1ccc(N2CC[C@@H]3[C@H](CCCN3C(=O)c3ccc(F)s3)C2)nc1 1875280435 JIPOPLFOHLTZLV-HUUCEWRRSA-N 370.453 3.285 30 50 FGEA CN1[C@H]2CCC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccc3c(c1)OCCO3)C2 67587944 JGAQUYGSCKXIRY-XJKSGUPXSA-N 362.433 3.055 30 50 FGEA Cn1ccnc1[C@@H]1CCCN(C(=O)CC2=C(c3ccccc3)CCC2=O)C1 95511402 KLQAREIPBYEIEA-QGZVFWFLSA-N 363.461 3.333 30 50 FGEA N/C(COc1ccccc1)=N/OCc1cc(Cl)c2c(c1)OCCCO2 170628279 MHYSIXOKALHMAD-UHFFFAOYSA-N 362.813 3.369 30 50 FGEA OCC#Cc1csc(CN2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)c1 1704297917 YOKKQAQHZSIEOS-COPCDDAFSA-N 367.514 3.212 30 50 FGEA COc1cc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)ccc1O 1473719 YYLUVRKTJKTBQF-GIJQJNRQSA-N 360.826 3.484 30 50 FGEA COC1(C/N=C(/O)c2cc(F)ccc2NS(C)(=O)=O)CCC(C)CC1 331061631 UNPAHUFVGUAFOA-UHFFFAOYSA-N 372.462 3.097 30 50 FGEA N#Cc1cc(Cl)ccc1N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818145837 RMTAYPMVJBCOGB-GOSISDBHSA-N 358.829 3.046 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCCC[C@@H]2CCn2cccn2)cc1 820608333 XEDIWLINMTUKRV-OAQYLSRUSA-N 351.494 3.450 30 50 FGEA N#Cc1cccc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)c1 169755556 IGLUBWHQUUZXMJ-UHFFFAOYSA-N 373.416 3.171 30 50 FGEA CCCCN(CC#C[C@@H](C)C(C(=O)OCC)C(=O)OCC)CCCC 4524829 BHMFSEHYDQOSRD-QGZVFWFLSA-N 353.503 3.271 30 50 FGEA C#CCCC1(CCC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)N=N1 2325886124 SVBTXOXSSWZIMF-UHFFFAOYSA-N 368.437 3.075 30 50 FGEA COc1ccccc1/N=C(\O)CN1CCN(c2ccccc2OC)CC1 55059025 GSNHOMPFNMXYNW-UHFFFAOYSA-N 355.438 3.114 30 50 FGEA CC1(C)OB(c2cc(OCc3ccccc3)cc(C(=O)O)c2)OC1(C)C 170004445 ASWKGLCMNSKWGU-UHFFFAOYSA-N 354.211 3.263 30 50 FGEA O=C(c1ccnn1C1CCCC1)N1CCC[C@@H]1C(O)=Nc1nccs1 330047254 JGGWXJAFUXZEDF-CYBMUJFWSA-N 359.455 3.348 30 50 FGEA Cc1nn([C@H](C)CC(=O)O)c(C)c1-c1cc(-c2ccoc2)c(C#N)c(N)n1 71479414 XJMAOFZSTUAVDF-SNVBAGLBSA-N 365.393 3.312 30 50 FGEA O=[N+]([O-])c1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1 245231263 AFDSHHOLWQSBQT-UHFFFAOYSA-N 358.829 3.400 30 50 FGEA CC[C@@H](CO)N(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 411499673 DXVOCIPIVRJVCC-IBGZPJMESA-N 351.450 3.160 30 50 FGEA CC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 16512352 XCYIJYBOQDBFIX-KNTRCKAVSA-N 350.827 3.437 30 50 FGEA CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccncc1 449926440 MGWNZKLGHFHQAO-CQSZACIVSA-N 368.824 3.013 30 50 FGEA C#CCCC1(CCC(=O)N2C[C@H](C(=O)O)C[C@H](c3ccccc3)C2)N=N1 952876764 WHOSNCMWWBHMMB-DLBZAZTESA-N 353.422 3.059 30 50 FGEA CCCN(Cc1ccc(C#N)cc1)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875289812 QUYNXBJPKKSOQJ-UONOGXRCSA-N 352.438 3.356 30 50 FGEA Cc1c(Br)c(C(=O)Nc2sc3c(c2C#N)CCC3)nn1C 2779054 GHUFUVDCHVPLKE-UHFFFAOYSA-N 365.256 3.165 30 50 FGEA C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)C(O)=NC1=S 660002 XSOJBIBLQOOXEN-MHWRWJLKSA-N 366.446 3.142 30 50 FGEA COc1cccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c1O 19901433 UJHCJSPGCTUIKK-HYARGMPZSA-N 353.466 3.169 30 50 FGEA C=C[C@@](C)(O)CC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952892266 MNXSEFSFJOJQGY-OAQYLSRUSA-N 369.440 3.316 30 50 FGEA N#CC1(c2ccccc2)CC2(CN(C(=O)c3nc4cc(F)ccc4[nH]3)C2)C1 1875291276 TZQAJQAWCZZDDN-UHFFFAOYSA-N 360.392 3.400 30 50 FGEA NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cc(F)c(F)c(F)c1 218462785 OEYIPMJDDPIPQQ-UHFFFAOYSA-N 361.348 3.430 30 50 FGEA C#CCOc1ccc(CN2CCC3(CC2)CCN(C(=O)C2CC2)CC3)cc1 72122223 MUVLPNWIJSUCSC-UHFFFAOYSA-N 366.505 3.313 30 50 FGEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1cccnc1 820552714 CUFDDXWREZDLIV-FKBYEOEOSA-N 364.445 3.480 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1ccc2nc(O)[nH]c2c1 827801443 CCBNLHSUUXMISU-UHFFFAOYSA-N 361.401 3.092 30 50 FGEA C=CCc1cc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)ccc1OC(C)C 1529109591 GFEUQMWYMBHTMO-TZIWHRDSSA-N 367.493 3.028 30 50 FGEA C=CCCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 14952495 SZWOKPWQSYVPAY-OAQYLSRUSA-N 374.456 3.142 30 50 FGEA C#CCCC1(CCNC(=O)c2cnn3c(-c4ccccc4)ccnc23)N=N1 2325891140 SQOKLGLFVSRHLA-UHFFFAOYSA-N 358.405 3.092 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Br)cc2)cc1 2807290 BPJBUIWCUYKVNL-MHWRWJLKSA-N 353.241 3.070 30 50 FGEA CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1 328591425 NQRMWGPDIQEXBT-GCOVDLRRSA-N 374.506 3.270 30 50 FGEA O=C1C2=C(N=C3SCC(=O)N3[C@H]2c2ccccc2F)c2ccccc21 1407004 WYSRQCNBOSCWQG-KRWDZBQOSA-N 350.374 3.419 30 50 FGEA Cc1c(-c2ccc(OCC(=O)O)cc2)nc(N)c(C#N)c1-c1cccnc1 71735746 SZORVGRASRIRSN-UHFFFAOYSA-N 360.373 3.036 30 50 FGEA CC(=O)Nc1cccc(/N=C2\SCC(=O)N2CCc2ccccc2)c1 13960894 YLHPRYUWHMAIGJ-VZCXRCSSSA-N 353.447 3.451 30 50 FGEA N#Cc1ccc(N2CCC[C@H](N3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 248675148 CNGQMLYPLIJINI-JTHBVZDNSA-N 373.456 3.185 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 2366060 NKWMCTLLDAEEIW-UHFFFAOYSA-N 369.425 3.396 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 4832433 QSXOGPSDFHZGDN-CYBMUJFWSA-N 374.462 3.357 30 50 FGEA C=CCOc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 4865902 MRNAZMKFPPLBBR-UHFFFAOYSA-N 352.434 3.222 30 50 FGEA CN1CCN(C(=O)OC(C)(C)C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21 309611974 NVLRCJMIDPPKAG-UHFFFAOYSA-N 374.290 3.177 30 50 FGEA Cc1cccc(NC2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)CC2)c1 332142279 RSBOQMPPCLSWES-UHFFFAOYSA-N 369.490 3.440 30 50 FGEA C=CCOc1cccc(C(=O)N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)c1 91951574 LXYZIHPWCHSMMB-NRFANRHFSA-N 356.466 3.115 30 50 FGEA CC(=NNc1nnc(SCC#N)[nH]1)c1ccc(Br)cc1 253476528 ZBDYXLMTNDLGNB-UHFFFAOYSA-N 351.233 3.019 30 50 FGEA CCOc1ccc(NC(=O)N(CC)C[C@@H](O)c2cccc(O)c2)cc1C#N 299767194 HEWFVLRARPVRBF-GOSISDBHSA-N 369.421 3.250 30 50 FGEA COc1cc(OC)c2ncc(C#N)c(NC[C@H]3NCCc4ccccc43)c2c1 2325859991 SUPUPTGQLOQMHN-LJQANCHMSA-N 374.444 3.423 30 50 FGEA Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 4755637 JMVVMUJNKKLJDD-YFEUJDIGSA-N 372.475 3.007 30 50 FGEA CO[C@@H]1[C@H]2C[C@@H]3CN(/C(O)=N/[C@H](C)c4cn(C(C)(C)C)nc4C)[C@@H]1[C@H]3C2 329538606 MLNLIIFYRGOQSD-QNKFFZHASA-N 360.502 3.277 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc4ncsc4c3)C2)nc1 368388337 QMUGIEUQCDHGEN-CQSZACIVSA-N 365.418 3.248 30 50 FGEA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1ccccc1C#N 82106652 JSUUIELGQNULKL-ZDUSSCGKSA-N 353.809 3.089 30 50 FGEA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(C#N)cc1 2857063 WAFCFKDPZPFLMG-SFHVURJKSA-N 363.442 3.051 30 50 FGEA C=CCOc1ccccc1CN1CCN(Cc2ccsc2)[C@H](CCO)C1 20998127 QXKIAKFAVZJCJE-HXUWFJFHSA-N 372.534 3.382 30 50 FGEA Cc1ccncc1N=C(O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328638353 WHLXKHHRZKJVQU-LBPRGKRZSA-N 367.375 3.345 30 50 FGEA Cc1ccccc1-c1ncc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)cn1 71763067 KMRPIFMSTOFKDP-WMLDXEAASA-N 368.444 3.317 30 50 FGEA CCCc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 32575579 IVEASXOKWNDPTL-WQRHYEAKSA-N 352.843 3.311 30 50 FGEA N#CC1(c2ccccc2)CCN(C(=O)/C=C/c2cc(CO)cs2)CC1 952975833 ZBAUISNOUQNQRP-VOTSOKGWSA-N 352.459 3.338 30 50 FGEA C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12432740 FZAJANIESBKECU-QGZVFWFLSA-N 360.885 3.322 30 50 FGEA N/C(=N/c1ccccc1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 4610985 QQLWEXUHMQAQAR-CQSZACIVSA-N 359.838 3.352 30 50 FGEA C=CCSc1nc2ccc(I)cc2c(=O)n1CC 2330533 MYDVCUHQIIIDKZ-UHFFFAOYSA-N 372.231 3.299 30 50 FGEA CCCO[C@@H]1CC[C@H](C(=O)NC2CC2)C[C@H]1Nc1nc(C)cc(C)c1C#N 2356161689 FSJHKVZYMYROTJ-KFKAGJAMSA-N 370.497 3.225 30 50 FGEA C#CCOC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953744 DFRWBKBTLJYCER-UHFFFAOYSA-N 358.737 3.291 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)ccc1OC 100436454 FHLIMGIRTHXRIW-IBGZPJMESA-N 371.433 3.235 30 50 FGEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 281302121 IBQDHNXQHLTZLI-XQBPLPMBSA-N 370.493 3.026 30 50 FGEA Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c2cccc(C)c2n1 82106795 RVMMLIVGQLYJLS-UHFFFAOYSA-N 371.444 3.081 30 50 FGEA C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C1=O 980034 VUTULHRUAZFWEP-GHRIWEEISA-N 351.431 3.213 30 50 FGEA C=C(C)CN(CC)C(=O)c1sc2ncnc(N[C@H]3CCOC3)c2c1C 11815568 QHBSXSSHPUZSPB-ZDUSSCGKSA-N 360.483 3.239 30 50 FGEA C[C@@H](COc1ccc(F)cc1)N=c1ccc(Br)c(C#N)[nH]1 1875326433 BIPKZHLWHUZCRK-JTQLQIEISA-N 350.191 3.156 30 50 FGEA CCOC(=O)c1s/c(=N\N=C\c2ccc(N(CC)CC)cc2)[nH]c1C 9111471 HPCPHYLBVYMAPE-XDHOZWIPSA-N 360.483 3.342 30 50 FGEA C=C(C)COc1ccc(CN2CCCN(C)C3(CCN(C)CC3)C2)cc1 67447004 QAJWGAIWZHMNEW-UHFFFAOYSA-N 357.542 3.243 30 50 FGEA C=CCn1cc(-c2c(C#N)c(N)nc3c2CN(c2ccccc2)CC3)cn1 72126537 UAZDFGLANZQNOQ-UHFFFAOYSA-N 356.433 3.148 30 50 FGEA O=C1N/C(=N/c2ccccn2)S[C@@H]1Cc1ccc(Br)cc1 4030058 RKUZWACLXFMWTJ-GFCCVEGCSA-N 362.252 3.306 30 50 FGEA COc1cccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c1OC 4751957 CJCQZPZVQHONAK-AWEZNQCLSA-N 364.353 3.068 30 50 FGEA C#C[C@H](NC(=O)[C@H]1OC(=O)c2ccccc21)c1ccc(Br)cc1 2325829589 NMEWBSAHSPZUEC-HOTGVXAUSA-N 370.202 3.151 30 50 FGEA CC(C)CN1CCC[C@@H](C/N=C(/O)c2cc3ccccc3c(=O)n2C)C1 329175719 MFAOFDVOBXZCMZ-INIZCTEOSA-N 355.482 3.211 30 50 FGEA C=CCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)C(=O)NC1=S 15012002 NVZMCLSGIUSJOI-VBKFSLOCSA-N 366.442 3.051 30 50 FGEA Oc1ccc(Br)cc1/C=N\N1CCN(c2ccccc2)CC1 15685336 DCVIUVQRHBTMOK-UYRXBGFRSA-N 360.255 3.311 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 19138241 KFBHQEMFLDAJRB-MRXNPFEDSA-N 352.346 3.111 30 50 FGEA C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccco1 1050149 YNKRYRATCHXBHY-UHFFFAOYSA-N 354.435 3.133 30 50 FGEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 2325807708 NYALKXCFKSOXQV-KHHDVDEJSA-N 359.510 3.354 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2CCCN(CCc3ccccc3)C2)N=N1 2325891678 VKBFJWFWHQJGOS-LJQANCHMSA-N 352.482 3.023 30 50 FGEA C=C(C)COc1cccc(C(=O)N(Cc2ccccn2)[C@H](CC)CO)c1 55131354 XKGUJRFKOKZURS-LJQANCHMSA-N 354.450 3.450 30 50 FGEA COc1ccc(-c2c(C#N)c(N)nc3c2CN(Cc2cccnc2)CC3)cc1 71748312 SRCICMRCNMADOU-UHFFFAOYSA-N 371.444 3.164 30 50 FGEA Cc1c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C2CCCC2)cnn1C 71761399 JJBVCVMVFIHPFI-KBXCAEBGSA-N 362.481 3.249 30 50 FGEA CN(C)CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 253595357 CKHSOFXTVRKHKX-VYKPCIFISA-N 357.538 3.216 30 50 FGEA N#Cc1c(-c2ccc3c(c2)OCO3)c(C#N)c2nc3ccccc3n2c1N 711679 BZYSDMOYGGXCFJ-UHFFFAOYSA-N 353.341 3.209 30 50 FGEA C#CCCC1(CCC(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)N=N1 2325892740 ZTLTVMNYXNGBBU-LJQANCHMSA-N 352.482 3.118 30 50 FGEA CCc1nnc(/N=C(\O)[C@H](C)N2CCN(c3ccccc3F)CC2)s1 20018959 WCODXDBEMAFPCS-LBPRGKRZSA-N 363.462 3.038 30 50 FGEA COc1ccc([C@@H](C(=O)O)N2CCC(C#N)(c3ccccc3)CC2)cc1 1506422381 SKLJBPBELZBUQK-IBGZPJMESA-N 350.418 3.378 30 50 FGEA N#Cc1ccc(N2CCC(c3nccn3Cc3cscn3)CC2)nc1 91468875 CUPDSVCKMPIOAH-UHFFFAOYSA-N 350.451 3.039 30 50 FGEA C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1ccco1 12343839 GEKDRDHNGSAMLF-GPAMEVQUSA-N 357.410 3.481 30 50 FGEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(OC)c2)cc1 1473624 LLVALXGAPFYBOI-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA Cc1c(C(=O)N(C)C)sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1C#N 2091094 ZTEKCWJDEDMARL-CYBMUJFWSA-N 360.266 3.152 30 50 FGEA CC1(C)C[C@@]2(C[C@@H]2/C(O)=N/CCc2nnc3n2CCC3)c2ccccc2O1 328606754 SUQZOAMOCKUWBU-VFNWGFHPSA-N 366.465 3.242 30 50 FGEA Fc1ccc(C#CCN2CCN(c3ncnc4ccsc34)CC2)cc1 153325304 OIMQMLILEFJJSR-UHFFFAOYSA-N 352.438 3.004 30 50 FGEA N#Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 91644795 LMHMXCSEPLCTOM-FXAWDEMLSA-N 374.444 3.327 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 19138451 JILXASGYBXVHIA-MRXNPFEDSA-N 352.346 3.111 30 50 FGEA Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1[N+](=O)[O-] 1069103 LNYQUYPXZBOLJO-LLVKDONJSA-N 373.438 3.420 30 50 FGEA Oc1ccc(Br)cc1C=NN1CCN(Cc2ccccc2)CC1 2928916 AOWZKTAGLHAXBR-UHFFFAOYSA-N 374.282 3.306 30 50 FGEA C#C[C@H](CC)Oc1ccc(COC(=O)[C@H](C)N(C)CC(F)(F)F)cc1 225855333 IZWWSESLZMMQDK-DZGCQCFKSA-N 357.372 3.403 30 50 FGEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc([N+](=O)[O-])cc1 5704410 KEWOLAOVRODWPT-LICLKQGHSA-N 355.379 3.407 30 50 FGEA C=CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 12343908 LTMCTHOCHRXHSO-VBKFSLOCSA-N 354.793 3.366 30 50 FGEA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1 1875302696 CMYLLLCQCWGQLA-RISCZKNCSA-N 366.248 3.099 30 50 FGEA CC[C@H]1CCc2c(sc(NC(=O)[C@H](C)n3cc([N+](=O)[O-])cn3)c2C#N)C1 2761496 XCOPCYIKPPYYMW-QWRGUYRKSA-N 373.438 3.439 30 50 FGEA C=CCOc1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cc1 39389213 YDYKQZJFOQSHHI-UHFFFAOYSA-N 355.467 3.404 30 50 FGEA CN(C(=O)c1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2F)C1 72433775 NWCACWXTEYSRMF-SFHVURJKSA-N 351.425 3.434 30 50 FGEA COc1ccc([C@@H]2CN(c3nc(C)ccc3C#N)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95355204 GZEDNFRXJWCPEG-BHDDXSALSA-N 374.488 3.337 30 50 FGEA CCCN1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](CC)C3)CC1 23095783 HCXPPQYSRJTDCT-HNNXBMFYSA-N 374.554 3.101 30 50 FGEA Cn1cc(CNc2ccc([S@](C)=O)c(F)c2)c(-c2ccc(C#N)cc2)n1 170592880 PWGSFBNZCLEQOF-SANMLTNESA-N 368.437 3.447 30 50 FGEA O=C1N/C(=N/N=C/c2ccc(O)cc2)S[C@@H]1Cc1ccc(Cl)cc1 16713099 QGKAHSQPBWOTEW-GDXCHIGESA-N 359.838 3.210 30 50 FGEA O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1cccnc1 6227836 RULDDBMMCNMDEH-SRFURKKRSA-N 352.379 3.084 30 50 FGEA CCc1nc(SCC(=O)Nc2cccc3ccccc23)[nH]c(=O)c1C#N 5238930 LVXLLUORYGOYDF-UHFFFAOYSA-N 364.430 3.088 30 50 FGEA C=CCc1ccccc1-c1nc(CC(C)C)nn1[C@]1(C)CCS(=O)(=O)C1 1875340430 ARQBJXYAFLYJHK-HXUWFJFHSA-N 373.522 3.406 30 50 FGEA CCn1nc(C(=O)N(C)CCc2cccc(C#N)c2)c2c1[C@H](C)O[C@H](C)C2 1875300113 LULPQGLQYXWCIE-CABCVRRESA-N 366.465 3.112 30 50 FGEA CCN1CCC[C@@H](CN(C)C(O)=Nc2cncc(C)c2)[C@@H]1c1cnn(C)c1 328615543 AWJWRCVKLYCGSI-QFBILLFUSA-N 370.501 3.074 30 50 FGEA COc1cccc([C@H]2O[C@@]34CCCC[C@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1 239432809 WNNKDNBPUPCCPU-LNKGRISISA-N 362.389 3.204 30 50 FGEA N#Cc1ccc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)c(Cl)c1 277768410 SJRLMQIAIGARHS-UHFFFAOYSA-N 356.813 3.039 30 50 FGEA Cc1ncc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1 1875335312 BCVYUPBDYLBBCN-SNVBAGLBSA-N 354.391 3.062 30 50 FGEA CCN(C[C@H](C)C#N)C(=O)c1cnc2ccc(Br)cc2c1O 170594480 STZJABXMLXYVTM-SNVBAGLBSA-N 362.227 3.325 30 50 FGEA CC[C@H](C(O)=Nc1cnc2c(Br)cccn12)N1CCCC1=O 329170809 KETAANRWZXWZIZ-LLVKDONJSA-N 365.231 3.086 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 3617211 MNJGLPRTQNPEJA-UHFFFAOYSA-N 369.425 3.396 30 50 FGEA Cc1c(N2CCCC2)ccc2c1NC(=O)C[C@@H]2c1cc(C#CCO)cs1 65394474 ZLJONYCTRAUTEH-KRWDZBQOSA-N 366.486 3.475 30 50 FGEA O/C(N=c1ccc(C(F)(F)F)n[nH]1)=N/C1(c2nccs2)CCCC1 329955691 PFMYSLLGEACAQD-UHFFFAOYSA-N 357.361 3.169 30 50 FGEA Cc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1 15919512 FNSOKQUJLPEXHD-ZHZULCJRSA-N 369.473 3.200 30 50 FGEA C=CCn1cc(CN2CCCN(C(=O)OCc3ccccc3)CC2)c(C)n1 55326452 WQOFTKZJCQGZRT-UHFFFAOYSA-N 368.481 3.222 30 50 FGEA CCn1ccnc1[C@H](NCc1ccc(OC)c(C#N)c1)C1CCOCC1 284729442 MCMBBIPZBQJXMM-LJQANCHMSA-N 354.454 3.041 30 50 FGEA C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(Cl)cc1C 17075378 OVNCSQBWXVSTNZ-NSHDSACASA-N 366.874 3.143 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(Cl)c1 5045098 KYNPDRUIKYJKIU-HNNXBMFYSA-N 361.781 3.158 30 50 FGEA C=CCOc1ccc([C@@H]2CC(=O)Nc3cc(NC(=O)COC)ccc32)cc1 65407350 UJNKXQGQFBCJFZ-SFHVURJKSA-N 366.417 3.310 30 50 FGEA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(C(F)(F)F)c2F)C1 379021607 BHQOQQRTAKHIOB-XVKPBYJWSA-N 358.257 3.339 30 50 FGEA N#Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)cc2)n1 426719764 ALKVWESTBMVGTH-KRWDZBQOSA-N 371.444 3.369 30 50 FGEA N#Cc1cccc(N2CCCN(C(=O)CCCc3cccs3)CC2)n1 1772806906 MBSXTEXWSUAOJB-UHFFFAOYSA-N 354.479 3.076 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc(NCCc3ccccn3)cc2)N=N1 2325891470 IRMPMKZJXWJMTP-UHFFFAOYSA-N 361.449 3.432 30 50 FGEA N#Cc1c(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)sc2c1CCCC2 2317340 BJSDGAVWFDACRZ-UHFFFAOYSA-N 370.386 3.147 30 50 FGEA C=CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@@H](C)C3 2372738 MPZIPZGFZDCVGX-SECBINFHSA-N 356.480 3.293 30 50 FGEA C#C[C@H](CC)Oc1ccc(COC(=O)[C@@H](C)N(C)CC(F)(F)F)cc1 225855359 IZWWSESLZMMQDK-UKRRQHHQSA-N 357.372 3.403 30 50 FGEA C=CCC1(OC)CCN(C(=O)c2cc(COc3ccccc3)on2)CC1 67724748 UCYGNPDXLLWPQD-UHFFFAOYSA-N 356.422 3.451 30 50 FGEA Cc1ccccc1-n1c(SCC(=O)O)nnc1-c1ccc(C#N)cc1 65431972 TVCWKJCGAWZUJJ-UHFFFAOYSA-N 350.403 3.291 30 50 FGEA CC(C)[C@H]1CN(C(=O)Nc2cccc(C#N)c2)CCC(=O)N1CC1CC1 71767682 CIIWOPZTOATNPU-GOSISDBHSA-N 354.454 3.059 30 50 FGEA C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(Cl)cc1C 17075377 OVNCSQBWXVSTNZ-LLVKDONJSA-N 366.874 3.143 30 50 FGEA COc1ccccc1SC[C@@H](C)CNCc1cn(C)c2c(C#N)cnn12 2325801043 RZHCBUHLCDRYTA-AWEZNQCLSA-N 369.494 3.071 30 50 FGEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 2325807710 NYALKXCFKSOXQV-LLMJNHHCSA-N 359.510 3.354 30 50 FGEA Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)n(C[C@H]2CCCO2)c1C 229676752 XYPGJFGWRVOHHU-RVKKMQEKSA-N 372.513 3.072 30 50 FGEA Cc1cc(N2CCC[C@H](/N=C(/O)c3ncsc3C(F)(F)F)C2)n(C)n1 328728574 DWVFSRBFMYYTAO-JTQLQIEISA-N 373.404 3.177 30 50 FGEA C[C@@](C#N)(NC(=O)CN1CCCC[C@H]1c1nc2ccccc2o1)C1CC1 332945244 NOOYWUVCTLMSNW-JXFKEZNVSA-N 352.438 3.163 30 50 FGEA CCn1nc(C)c(-c2cc(-c3ccc(OC)c(O)c3)c(C#N)c(N)n2)c1C 71738476 OEDHKXUSUOZVTR-UHFFFAOYSA-N 363.421 3.417 30 50 FGEA COc1ccc(C(=O)[C@@H]2CCCN(c3ncccc3C#N)C2)cc1OC 71762414 ZCCVYNDZQVXKIZ-MRXNPFEDSA-N 351.406 3.070 30 50 FGEA CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875394601 OUZMYFSQZHVNQG-UONOGXRCSA-N 352.438 3.354 30 50 FGEA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)c1 952980084 UEFMSASXORKRED-SFHVURJKSA-N 353.418 3.388 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1 6698257 LONPNVPRJXQBDY-UHFFFAOYSA-N 351.435 3.257 30 50 FGEA Cc1cccc(C)c1NC(=S)N/C=C1\C(=O)Nc2ccccc2C1=O 102299654 SUZAQUBBQQODHS-UVTDQMKNSA-N 351.431 3.309 30 50 FGEA N#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(-n4ccnc4)cc3)nc12 6402529 GQNFVMBBHCNZDF-UHFFFAOYSA-N 354.295 3.472 30 50 FGEA Cc1cncc(N=C(O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)c1 328624272 CJNYWLMBEHOAQD-INIZCTEOSA-N 371.510 3.379 30 50 FGEA N#Cc1cccnc1N1CCC(Oc2ccc3ncccc3c2)(C(=O)O)CC1 96163293 AEGFOMUFWASABT-UHFFFAOYSA-N 374.400 3.004 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 952868498 QJCSKANRBNFATC-LJQANCHMSA-N 362.473 3.065 30 50 FGEA N#Cc1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CCCC2 1010188 WXTQIJQJUMDDNO-OAHLLOKOSA-N 366.446 3.260 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)N=N1 2325891034 MKDXYDDNQCZRCB-IBGZPJMESA-N 374.444 3.240 30 50 FGEA O=C(C[n+]1ccccc1Br)c1ccc(Br)cc1 3130715 OSLRKQLRKCZQDX-UHFFFAOYSA-N 356.037 3.382 30 50 FGEA N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Cl)cc1Cl 4725423 QORBNLILNYGALC-UHFFFAOYSA-N 359.234 3.492 30 50 FGEA O=C1C[C@H](C(=O)Nc2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 100125565 BJTHHPKUOAYFRA-RDJZCZTQSA-N 360.413 3.162 30 50 FGEA C=C(C)CN(CC)C(=O)C1(Oc2ccc3ncccc3c2)CCNCC1 65375993 UTZUFHAOVYZAPF-UHFFFAOYSA-N 353.466 3.160 30 50 FGEA N#Cc1cccc(CS(=O)(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)c1 331136816 CZWFUSYLDQPNMF-CABCVRRESA-N 360.401 3.346 30 50 FGEA N#Cc1c(N)nc2c(c1-c1ccccc1OC(F)(F)F)[C@H]1CC[C@@H](C2)N1 71746706 SQPPVMGMZLRMAE-JOYOIKCWSA-N 360.339 3.450 30 50 FGEA C=CCNc1nc(C)nc2c1CCN(C(=O)CCc1cccs1)CC2 72475728 ZTGKQMXYRPBQSG-UHFFFAOYSA-N 356.495 3.004 30 50 FGEA CC(C)n1cnnc1CN(C)C(=O)c1cccc(-c2cccc(C#N)n2)c1 426465470 OZMYPFTZWSQSIF-UHFFFAOYSA-N 360.421 3.065 30 50 FGEA C=C(C)Cn1c(SCCCCCCC)nc2c1c(=O)n(C)c(=O)n2C 96019844 PKSIJUZNPFTOPD-UHFFFAOYSA-N 364.515 3.072 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc(-n3ncc(C(=O)O)c3C)c2)N=N1 952876816 XMRMWELZSIKDBF-UHFFFAOYSA-N 365.393 3.173 30 50 FGEA CC(=O)N1CCC(Nc2c(Br)cc(Cl)cc2C#N)CC1 408101050 GOLAPTXUDJFOMX-UHFFFAOYSA-N 356.651 3.397 30 50 FGEA N#Cc1ccnc(N2CCCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)c1 1772812492 MBZGLSLNDYSRGP-IBGZPJMESA-N 360.461 3.112 30 50 FGEA OCC[C@@H](/N=C(/O)c1ccc(F)cc1Br)C1CCOCC1 330912041 WKOPHGXFQBSFDZ-CQSZACIVSA-N 360.223 3.070 30 50 FGEA Cc1nc2n(n1)[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 4945095 NAWGZFHMSGCODW-UZLBHIALSA-N 357.417 3.397 30 50 FGEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 281302114 IBQDHNXQHLTZLI-DXIQSLLYSA-N 370.493 3.026 30 50 FGEA OC(=Nc1ccc2c(c1)nc1n2CCCCC1)c1cc2n(n1)CCCO2 330359165 VSMNLNGLTKHJSY-UHFFFAOYSA-N 351.410 3.378 30 50 FGEA C#CCN1CC[C@H](N(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)CCC1=O 199296024 NKYALKVOKGGXLR-SJLPKXTDSA-N 350.466 3.084 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)N=N1 1875368564 APPMGDWRLOHFRN-QZTJIDSGSA-N 366.465 3.200 30 50 FGEA COc1ccc(-c2noc(C3CCN(c4oc(C)nc4C#N)CC3)n2)cc1 193169623 IGIYRCABOSOOON-UHFFFAOYSA-N 365.393 3.297 30 50 FGEA CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 5860998 SZINQTCACXGNLQ-AWEZNQCLSA-N 368.462 3.230 30 50 FGEA COc1ccc(N2CCN(Cc3cc(C#N)n(C)c3C)CC2(C)C)cc1 72154191 XEHYIFDTCYMYOW-UHFFFAOYSA-N 352.482 3.315 30 50 FGEA Cc1ccc(C#N)c(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3C)n1 95352802 KMJMWPVKDOYXAT-LJQANCHMSA-N 360.461 3.247 30 50 FGEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCN(C3CCCCC3)CC2)c1 952991259 WDNYNBWMHZFJBS-UHFFFAOYSA-N 368.521 3.290 30 50 FGEA CCC#CCN1C[C@@H]2CN(C(=O)CSC)C[C@]2(CCc2ccccc2)C1 1772705100 OZWFXPYDTWLLIM-IRLDBZIGSA-N 370.562 3.156 30 50 FGEA C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1c1ccc(F)cn1 1857693127 JEDNWRWDOQHRLH-AWEZNQCLSA-N 351.429 3.081 30 50 FGEA Cc1ccc(N2CCCN(c3ccc(Br)cc3C#N)CC2)nn1 302723925 IVTYROTWTCYOAT-UHFFFAOYSA-N 372.270 3.136 30 50 FGEA COc1ccc(-c2cc(-c3cc(F)ccc3OC)c(C#N)c(N)n2)cn1 71750676 SZVDEUVIUNSFFK-UHFFFAOYSA-N 350.353 3.421 30 50 FGEA CCCN1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(COC)c3)c2C1 72157764 LYYZIYBFTYIJNT-UHFFFAOYSA-N 366.465 3.126 30 50 FGEA O=C1N/C(=N\N=C\c2ccccc2O)S[C@H]1Cc1ccc(Cl)cc1 12843806 HJKSPHXMCLTADY-RPJLVFAOSA-N 359.838 3.210 30 50 FGEA O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 4488916 FRCMUJUWUASRDP-STQMWFEESA-N 367.426 3.481 30 50 FGEA Cc1cn(C/C(O)=N/C[C@H]2CCn3ncc(C(=N)O)c3C2)c2ccccc12 328602942 DGTQURJUZFMUHX-AWEZNQCLSA-N 365.437 3.249 30 50 FGEA Cc1cc(N2CCC[C@@H](/N=C(/O)c3ncsc3C(F)(F)F)C2)n(C)n1 328728578 DWVFSRBFMYYTAO-SNVBAGLBSA-N 373.404 3.177 30 50 FGEA Cc1nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)c2cc[nH]c2n1 443967311 VEDMBZQXLPCOQH-UHFFFAOYSA-N 352.829 3.118 30 50 FGEA CCc1cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)n2c(nc3ccccc32)c1C#N 170651858 LPICJNKBLFJHFU-ZFWWWQNUSA-N 361.449 3.012 30 50 FGEA Cc1nc(NC=C2C(=O)c3ccccc3C2=O)nc(C)c1Br 1017422 JGFBIVMIAMUBBP-UHFFFAOYSA-N 358.195 3.231 30 50 FGEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 1155605 JEIAMJYBPZQKMA-LDADJPATSA-N 361.423 3.205 30 50 FGEA C=CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(-c2nnc(C)s2)c1 12459672 UCLSJSVQUWLIFB-MRXNPFEDSA-N 370.478 3.409 30 50 FGEA COC[C@H](/N=C(/O)N1CCOCC2(CCC2)C1)c1ccc(Cl)cc1 330249659 ZZWSLDJDJIBZSQ-INIZCTEOSA-N 352.862 3.444 30 50 FGEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccc2[N+](=O)[O-])c1 4956255 SDJLJCFKNZATKE-KRWDZBQOSA-N 368.345 3.092 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1[N+](=O)[O-] 100505379 CGNRGBIADYYMNW-KRWDZBQOSA-N 370.405 3.372 30 50 FGEA COc1cccc(-c2ncc(CNC(=O)N3CCC[C@H](C#N)C3)s2)c1 426488430 QIQFYWUGUAXRSZ-CYBMUJFWSA-N 356.451 3.264 30 50 FGEA CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(-c3cccc(C#N)c3)c2)C1 426649806 XFGAWNHNDQWKKW-GOSISDBHSA-N 361.445 3.214 30 50 FGEA N#Cc1c(-c2ccc(O)cc2)cc(-c2cc(CC(=O)O)cs2)nc1N 71747107 WHLUPHAWLAPMNR-UHFFFAOYSA-N 351.387 3.264 30 50 FGEA C=CCN1C[C@H](C)N(C(=O)c2ccc(-c3cnn(CC)c3)cc2)C[C@@H]1C 1565505636 USBKJKZFGFAOMU-IRXDYDNUSA-N 352.482 3.291 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 5093712 YQSZEHDMAFOSBK-UHFFFAOYSA-N 362.813 3.208 30 50 FGEA COc1ccc(Br)cc1[C@H]1CC(=O)NC2=C1C(=O)CCC2 6819461 QMQICBGMTJMSEH-LLVKDONJSA-N 350.212 3.068 30 50 FGEA O=C(NCc1nccc(C(F)(F)F)n1)C(F)(F)c1c(F)cccc1F 857540298 CUJAFIJYMNOWEC-UHFFFAOYSA-N 367.224 3.182 30 50 FGEA C#Cc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 23373689 CMHXCEMOSYBEDL-HXUWFJFHSA-N 370.443 3.015 30 50 FGEA C/C(=N\N)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\N)CC[C@]4(C)[C@@H]3CC[C@@]21C 252320579 BAGRWRUJCMXJQI-HXQIIDPOSA-N 358.530 3.330 30 50 FGEA N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1=COCCC1 170645583 LLPAIGSPUXRYLA-ZDUSSCGKSA-N 352.362 3.343 30 50 FGEA Cc1cccn2c(=O)c(/C=N/Cc3ccco3)c(NCc3ccco3)nc12 1946345 DJPAXCSZPONJTD-FYJGNVAPSA-N 362.389 3.420 30 50 FGEA C=C(C)Cn1c(SCC(=O)O)nnc1-c1ccc(Br)cc1 4854500 UVSXLZJNUIYURL-UHFFFAOYSA-N 368.256 3.460 30 50 FGEA CCC/C(NCc1ccccc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100319269 OTNVBYKPVJTERD-ODECOBMASA-N 357.450 3.188 30 50 FGEA CN(C)N1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 1422751 HFJJFFPJNFPAAN-AWEZNQCLSA-N 357.410 3.031 30 50 FGEA COCc1cc(C)nc(SCC(=O)N2CCc3ccccc32)c1C#N 807387 PLIGUCWBXNTAAJ-UHFFFAOYSA-N 353.447 3.090 30 50 FGEA O/C(=N/[C@]1(Cc2ccc(Cl)cc2)CCOC1)[C@@H]1CCn2ccnc2C1 328652093 BTWPLPMAOCJDHP-BEFAXECRSA-N 359.857 3.457 30 50 FGEA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)c1cccc(C#N)c1)CC2 426548731 DJVIAMROGUDQIT-SVFBPWRDSA-N 354.450 3.137 30 50 FGEA C#CCCC1(CCC(=O)N2CCCCCCNC(=O)[C@@H]3CCC[C@@H]32)N=N1 1875368742 MXNOQAMKQOKCRA-SJORKVTESA-N 358.486 3.030 30 50 FGEA C=CCn1c(CN(C)Cc2ccc(C)o2)nnc1SC[C@H]1CCCO1 15072951 RZZUNQDGUGTZHN-MRXNPFEDSA-N 362.499 3.269 30 50 FGEA CC(C)c1ccc(OCC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1 4550878 OKKYKEWFUKBDMP-UHFFFAOYSA-N 371.393 3.155 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc(Cl)c(C(=O)O)c2Cl)N=N1 2325901075 SUQYKLHQHCCQAX-UHFFFAOYSA-N 354.193 3.387 30 50 FGEA CCOc1ccccc1C(=O)O/N=C(\N)c1cccc(Br)c1 6951312 DHLFODHEWUAFOA-UHFFFAOYSA-N 363.211 3.325 30 50 FGEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccnc3c(C)cccc23)C1 328611696 MNBPVWJOGIQMDL-IBGZPJMESA-N 351.410 3.317 30 50 FGEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2cccc(Cl)c2)cc1 219749895 ZMXMLYYIUXFUGI-RTBURBONSA-N 370.836 3.107 30 50 FGEA N#Cc1cccnc1N1CCC(NC(=O)c2csc3c2CCCC3)CC1 222785367 SIWMCAMPEBYBSU-UHFFFAOYSA-N 366.490 3.292 30 50 FGEA C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 170617636 YOLZZEOTCALJCO-BLLLJJGKSA-N 372.471 3.200 30 50 FGEA Cc1noc(CCCNc2nc3c(c(C#N)c2C#N)CCCCCC3)n1 280794774 VCWALLVBCCBTLN-UHFFFAOYSA-N 350.426 3.220 30 50 FGEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NC1CCCCCC1)C2 14752749 DJZWWUKYIDZJCL-SFHVURJKSA-N 370.541 3.475 30 50 FGEA CCO[C@@H]1C[C@H](/N=C(/O)[C@@H](C(C)C)N2CCCCC2)C12CCOCC2 329977231 ZMPIEVRJHIMXCW-RCCFBDPRSA-N 352.519 3.428 30 50 FGEA C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1 4843247 FZXVFIDKLDTXJT-UHFFFAOYSA-N 366.446 3.406 30 50 FGEA O=C1C[C@H](C(=O)Nc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 100125562 BJTHHPKUOAYFRA-WBVHZDCISA-N 360.413 3.162 30 50 FGEA C#CCOc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 37868736 CNXISOXZLQOUQU-BOPFTXTBSA-N 366.467 3.495 30 50 FGEA N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc4ncsc4c3)C2)nc1 368388336 QMUGIEUQCDHGEN-AWEZNQCLSA-N 365.418 3.248 30 50 FGEA COc1cc(CNCc2c(Br)noc2C2CC2)ccc1C#N 2325801668 ROPATNFVIXHMQZ-UHFFFAOYSA-N 362.227 3.485 30 50 FGEA C=CCNC(=O)CSc1nnc([C@@H]2C[C@H]2c2ccc(C)cc2)n1CC 2793356 YQBWSZDPVBWEHZ-JKSUJKDBSA-N 356.495 3.272 30 50 FGEA COc1ncc(-c2c(C#N)c(N)nc3c2C[C@H](c2ccccc2)CC3)cn1 71551649 GRBVODMUFZXWGC-CQSZACIVSA-N 357.417 3.274 30 50 FGEA OC(CN1CC[C@H](Oc2ccccn2)C1)=Nc1nc2c(s1)CCCC2 330106751 LGFVSVHDCRPAFM-ZDUSSCGKSA-N 358.467 3.158 30 50 FGEA N#Cc1cccc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)n1 426475608 ZAKRKDSJYUSRRX-UHFFFAOYSA-N 360.461 3.321 30 50 FGEA CCc1ccc2[nH]c3nc(N/N=C/c4ccc(C(=O)O)cc4)nnc3c2c1 5029283 KGTSZGSMOFGZSI-KEBDBYFISA-N 360.377 3.213 30 50 FGEA N#Cc1ccc(C2CCN(C(=O)[C@@H]3CCNc4ccccc4C3)CC2)nc1 2325804786 QAMIZSHYTIGWSB-LJQANCHMSA-N 360.461 3.334 30 50 FGEA C#CCCC1(CCNC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)N=N1 2325891122 RNRUXHBQLMXEJX-HXUWFJFHSA-N 366.465 3.011 30 50 FGEA COCc1cc(C)nc(SCC(=O)N[C@@H](C)c2ccccc2)c1C#N 2848336 UVKOBMKUVRBZBC-AWEZNQCLSA-N 355.463 3.378 30 50 FGEA C[C@H](Oc1ccccc1)C(=O)O/N=C(\N)c1cccc(Br)c1 4808420 XRYNUPVLRLXQLY-NSHDSACASA-N 363.211 3.080 30 50 FGEA COC(=O)c1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1 7712396 UTINKGMTKURPKM-VXLYETTFSA-N 356.382 3.042 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc(-c3ccccn3)s2)o1 65376404 UPIMTFFXIVCVPJ-UHFFFAOYSA-N 366.442 3.456 30 50 FGEA C#CCCC1(CCC(=O)NCC23CC(CN2Cc2ccccc2)C3)N=N1 2325886282 CJQBBBSHCOHUJW-UHFFFAOYSA-N 350.466 3.123 30 50 FGEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 2055391 SJOIOEFNTQGCNA-IBGZPJMESA-N 373.424 3.373 30 50 FGEA O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Cl)cc1)c1ccccc1 5033993 DINKOSCWJJYMSJ-KRWDZBQOSA-N 371.820 3.301 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)ccc1OC 100436451 FHLIMGIRTHXRIW-LJQANCHMSA-N 371.433 3.235 30 50 FGEA COc1ccc(OC[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 77520832 TWGGGTBCVAVQJN-KRWDZBQOSA-N 350.418 3.498 30 50 FGEA CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC 43152558 JHDKZFFAIZKUCU-ZRDIBKRKSA-N 358.486 3.239 30 50 FGEA investigational O=S(=O)(/N=C(\O)NC1CCCCCC1)N1CCC2(CCCC2)CC1 44123382 HACBCBDRNIYUFX-UHFFFAOYSA-N 357.520 3.114 30 50 FGEA C(=NNc1cc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccco1 244723601 MEHOTBYPNNGRLG-UHFFFAOYSA-N 354.458 3.496 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 6813219 AUNYXGNMNOUYBH-SFHVURJKSA-N 351.402 3.220 30 50 FGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@H](Cn2ccnc2)C1 91915092 XHHBNZMPCCBAPZ-QGZVFWFLSA-N 363.461 3.329 30 50 FGEA N#CC1(c2ccccc2)CCN([C@H]2CCC(=O)N(CC3CC3)CC2)CC1 1506423147 CRTBDYLWSSSZKO-FQEVSTJZSA-N 351.494 3.335 30 50 FGEA C#CCCC1(CCC(=O)N[C@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)N=N1 2325894918 YEIQOIMYKHEGDO-QVKFZJNVSA-N 367.449 3.424 30 50 FGEA C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccncc1 10300833 BHWZYWWEEYNYQU-UHFFFAOYSA-N 372.479 3.022 30 50 FGEA CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3sccc3C#N)CC2)cn1 328636909 OIFYLCIHVATCTE-HNNXBMFYSA-N 369.494 3.188 30 50 FGEA COc1ccc2c(c1)OC[C@H](/N=C(/O)N(C)C1Cc3ccccc3C1)C2 329031766 XHRZZTLVYMTRFE-QGZVFWFLSA-N 352.434 3.012 30 50 FGEA Cc1ccc2[nH]c(C(=O)NC3CCN(c4ncccc4C#N)CC3)cc2c1 299763144 PGLWLAQETGAFGH-UHFFFAOYSA-N 359.433 3.142 30 50 FGEA CCc1cc(C#N)ccc1NC(=O)NC1CCN(C(=O)c2ccco2)CC1 299764371 VBROBFRWYCDHGS-UHFFFAOYSA-N 366.421 3.140 30 50 FGEA COCCn1c(SCc2ccc(C#N)cc2C)nnc1-c1ccncc1 186204469 GFHWHYCNJNMCKQ-UHFFFAOYSA-N 365.462 3.459 30 50 FGEA NC(=S)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1 1446622 XMOVIBXUPPHCNB-OZNFINNBSA-N 359.838 3.126 30 50 FGEA O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1ccco1 798985 NULHSMLKWOVKHZ-KRWDZBQOSA-N 365.341 3.357 30 50 FGEA COC(=O)CSc1nc2c(c(-c3ccc(O)cc3)c1C#N)CCCC2 1508362 XNEVUSHCDHAFEZ-UHFFFAOYSA-N 354.431 3.470 30 50 FGEA C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@H](C(C)C)OC2 8829820 NMEBEDOEVDFWOZ-GFCCVEGCSA-N 368.524 3.495 30 50 FGEA O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(O)c([N+](=O)[O-])c1 136511054 TZSLDMMSCJUEKU-GORDUTHDSA-N 372.352 3.172 30 50 FGEA C=CCn1cc(CN2CCc3[nH]cnc3[C@@H]2c2ccnc3ccccc23)cn1 67447090 INFSVDXWACSFTJ-QFIPXVFZSA-N 370.460 3.488 30 50 FGEA Cc1cccn2c(CNC(=O)CC3=C(c4ccccc4)CCC3=O)cnc12 827801462 HFIUQCQUFYTVCY-UHFFFAOYSA-N 359.429 3.466 30 50 FGEA C#CCCC1(CCC(=O)N[C@H]2CC[C@H](Oc3ncccc3C#N)CC2)N=N1 1875381971 MMEURZFZEGWCIB-QAQDUYKDSA-N 365.437 3.115 30 50 FGEA C#C[C@@H](NC(=O)Nc1ccc2ccc(=O)n(C)c2c1)[C@@H]1CCc2ccccc21 1875341464 UNAAVTMTWAFLRN-WOJBJXKFSA-N 371.440 3.392 30 50 FGEA C=C1CC[C@@]23C(=O)O[C@@H]4O[C@@H](c5ccoc5)C[C@@]14[C@@H]2CCC=C3C(=O)OC 169399849 FFWVQGRKTCTNRG-QANQIFJLSA-N 370.401 3.456 30 50 FGEA biogenic O=[N+]([O-])c1ccccc1/C=C/C=N/N1CCN(Cc2ccccc2)CC1 19907474 PVYRJBCFXVRLAR-JJJRJKGESA-N 350.422 3.412 30 50 FGEA Cc1noc([C@H](N[C@H](/C(O)=N/C2CC2)c2ccccc2)C2CCOCC2)n1 328615518 AVVNXRJCKIMNHI-ZWKOTPCHSA-N 370.453 3.296 30 50 FGEA Cn1ccnc1C1CCN(C(=O)CC2=C(c3ccccc3)CCC2=O)CC1 91636182 KUXQMSUIRRRHDH-UHFFFAOYSA-N 363.461 3.333 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 827933726 COPDREKMXLGTLE-NRFANRHFSA-N 368.521 3.034 30 50 FGEA CC(C)(C#N)c1ccccc1CN1CCCC[C@H]1c1n[nH]cc1C(N)=O 780070151 DIYMBDNOZYFAMO-KRWDZBQOSA-N 351.454 3.037 30 50 FGEA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cc(F)cc(C#N)c1)CC2 1857672015 DUQQWBVROSJIJJ-UHFFFAOYSA-N 374.419 3.339 30 50 FGEA CN(C[C@@H](c1cccs1)N1CCOCC1)c1nc2c(cc1C#N)CCC2 329229186 JDUSFANNXBOKQN-SFHVURJKSA-N 368.506 3.013 30 50 FGEA C=CCn1c(N)[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21 4706726 IBJMSIFERLNANW-UHFFFAOYSA-O 371.258 3.342 30 50 FGEA C#CCN(C(=O)c1cc(Cc2ccc3c(c2)OCO3)no1)C1CCCCC1 11909884 LXOGUXXQMNNNMU-UHFFFAOYSA-N 366.417 3.402 30 50 FGEA COc1ccc2c(c1)C1(CC1)CN(S(=O)(=O)c1cccc(C)c1C#N)C2 329836977 LYRANWMIBNTGHP-UHFFFAOYSA-N 368.458 3.111 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@H]2CCn2ccnc2)cc1 952981126 ZIBFVDVZHUHQBP-FQEVSTJZSA-N 365.477 3.091 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3cccs3)C2)o1 952988516 OINCESOCVUCGGM-AWEZNQCLSA-N 371.458 3.199 30 50 FGEA C=CCc1cc(C(=O)OCc2ccc(C(=O)NC)cc2)cc(OC)c1OC 731372868 MPYPYPLCSGNSEG-UHFFFAOYSA-N 369.417 3.149 30 50 FGEA C=C(C)CN(CC)[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 14748436 SPCYPOQNEKYZTD-KRWDZBQOSA-N 358.530 3.284 30 50 FGEA CCn1nc(C)c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1C 264101784 ULDPWDYXHNIDNX-UHFFFAOYSA-N 352.438 3.075 30 50 FGEA N#Cc1cccc(Cl)c1N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818146475 WOWZIVNQZUKILU-GOSISDBHSA-N 358.829 3.046 30 50 FGEA CN1CCC(CNC(=O)C2CC3(CC(C#N)C3)C2)(c2ccccc2)CC1 2325760328 RVJQLKNWVXGHNA-UHFFFAOYSA-N 351.494 3.096 30 50 FGEA COc1ccc(N2CCN(C(C)=C3C(=O)c4ccccc4C3=O)CC2)cc1 1143386 POZBZNPXIMLVIF-UHFFFAOYSA-N 362.429 3.170 30 50 FGEA CCn1c2ccccc2c2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)nc21 3898152 KNGJCIPPAGDDSQ-YBFXNURJSA-N 361.365 3.354 30 50 FGEA COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(C)cc2)S1 12843751 CBPAREIDRDCLGD-RONKMWSCSA-N 353.447 3.168 30 50 FGEA Cc1cccc(N/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328619497 FXNUYULYLIGEDT-LLVKDONJSA-N 353.348 3.194 30 50 FGEA COc1ccc(Br)cc1[C@@H]1CC(=O)NC2=C1C(=O)CCC2 6819460 QMQICBGMTJMSEH-NSHDSACASA-N 350.212 3.068 30 50 FGEA N#CC1(CCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)CCCCC1 418783241 OLJQALVBCFQTAT-FQEVSTJZSA-N 353.422 3.080 30 50 FGEA Cn1c(-c2cc3n(n2)CCN(Cc2cccc(C#N)c2)C3)nc2ccccc21 65408046 KQXMIHDSWPYYKZ-UHFFFAOYSA-N 368.444 3.324 30 50 FGEA C=CCC(C)(C)CN1CCN(c2ncccc2C(=O)N2CCCC2)CC1 65403286 NSNYLZFBZUOLLY-UHFFFAOYSA-N 356.514 3.042 30 50 FGEA Cc1ccccc1OC1(C(=O)O)CCN(Cc2ccccc2C#N)CC1 72411337 ABVJEFSQCYMQIF-UHFFFAOYSA-N 350.418 3.365 30 50 FGEA N#Cc1ccc(Nc2cccc(C(=O)N3CC(F)(F)C[C@@H]3CO)c2)cc1 372545125 HWYIEEBQEWARPH-QGZVFWFLSA-N 357.360 3.144 30 50 FGEA C=CCOc1cccc(NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 299777965 FHFJLYWZLNWHCT-IBGZPJMESA-N 359.470 3.016 30 50 FGEA C=CCn1c(Sc2ccnc(C)n2)nnc1[C@H]1COc2ccccc2O1 170642734 FDNKXKQTXDBSHV-OAHLLOKOSA-N 367.434 3.226 30 50 FGEA C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1 2335095 RMRLJXFYRGGZBF-UHFFFAOYSA-N 358.398 3.168 30 50 FGEA CCC(=O)N1CCC[C@H]1C(=O)N(CC#Cc1ccccc1)C1CCCC1 55387476 PYMBFODADSQOAR-FQEVSTJZSA-N 352.478 3.210 30 50 FGEA N#CCCOCCN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952891871 JRMYAZFRUZIDJS-UHFFFAOYSA-N 354.429 3.392 30 50 FGEA N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CC[C@@H](C4CC4)N3)c2)c1 1875315500 XJGOTUNMHFQRCO-VQTJNVASSA-N 374.444 3.280 30 50 FGEA O/C(=N/[C@@]1(C(F)(F)F)CCc2ccccc21)c1cc2n(n1)CCCO2 330335543 RRKDMRJPRCQROF-INIZCTEOSA-N 351.328 3.374 30 50 FGEA COc1cccc([C@H]2CCCN2S(=O)(=O)Cc2ccc(C#N)cc2)c1 253417949 IXYRFAXSKKVPHN-LJQANCHMSA-N 356.447 3.234 30 50 FGEA Cc1ccnc(-n2cccc2-c2c(C#N)c(N)nc3c2N2CCC3CC2)c1 102008030 LVWWNAZIQNXYPL-UHFFFAOYSA-N 356.433 3.394 30 50 FGEA Cn1c(-c2cc3n(n2)CCCN(c2ncccc2C#N)C3)nc2ccccc21 65455048 KIAWTVKWPQVCHH-UHFFFAOYSA-N 369.432 3.114 30 50 FGEA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccccc1C#N)CC2 95375331 WHTPAXSWFWCKER-HXUWFJFHSA-N 373.456 3.179 30 50 FGEA COc1ccc(C[C@@H]2S/C(=N/N=C(\C)c3ccc(F)cc3)NC2=O)cc1 13562895 KNELWGWSWBISBH-QQZPLFJDSA-N 371.437 3.389 30 50 FGEA CN(Cc1cc(C#CCO)cs1)C[C@@H]1CCN(Cc2ccccc2)C1 383170553 XYYCPPYAJQYTFV-FQEVSTJZSA-N 354.519 3.046 30 50 FGEA C=CCN(c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1)S(C)(=O)=O 2876511 OXMDSRXJNVURSG-UHFFFAOYSA-N 366.389 3.169 30 50 FGEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@@H]1CCCC[C@@]1(O3)O[C@H]2c1ccc(F)cc1 245246807 ONZVTWDZJYEHLS-JCTKKGROSA-N 350.353 3.223 30 50 FGEA N#Cc1ccc(NC(=O)CCN2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl 246572903 BXOROAQRDCDKSP-KXBFYZLASA-N 361.873 3.167 30 50 FGEA CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 827951 GNCKMQYPNBVXFW-GOSISDBHSA-N 366.373 3.122 30 50 FGEA C=CCN(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 55385388 OEELILXSNBZQPT-GOSISDBHSA-N 352.434 3.151 30 50 FGEA O=S1(=O)CCC[C@H](/N=C(/O)c2cc(C3CC3)nc3ccc(F)cc23)C1 329611762 JVZSVLKHRIEAOY-ZDUSSCGKSA-N 362.426 3.133 30 50 FGEA COc1ccc(N[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1OC 72163978 GCBGDGSLKZMBJT-QGZVFWFLSA-N 352.438 3.360 30 50 FGEA N#Cc1ccc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cc1 91663810 JEYVOWHGSBMQHG-UHFFFAOYSA-N 374.488 3.358 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(Cl)cc1O)CC2 92037717 MJNHILBIUNSKGP-UHFFFAOYSA-N 362.857 3.076 30 50 FGEA Cc1ccc(-n2cccn2)c(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2)c1 75918733 ZHCFPJDNVHSZJI-CJNGLKHVSA-N 356.433 3.046 30 50 FGEA CC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1cccc(C(F)(F)F)c1 2267020 OMFYLWMXCSXISX-UHFFFAOYSA-N 351.332 3.348 30 50 FGEA N#Cc1ccc(N2CCC[C@H](N3CC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 248675144 CNGQMLYPLIJINI-GMAHTHKFSA-N 373.456 3.185 30 50 FGEA Cc1ccccc1N1CCC(N2CCN(c3ccc(C#N)cn3)CC2)CC1 65490215 BMNSNRDRTDPIFQ-UHFFFAOYSA-N 361.493 3.053 30 50 FGEA Cc1ccc(C#N)c(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 91877112 XQYRFPKGHKGYKY-UHFFFAOYSA-N 358.449 3.286 30 50 FGEA CN(C)c1ccc(/C=N/Nc2ncnc3c2cnn3Cc2ccccc2)cc1 4601152 PZNSJOCBQIKGCK-WYMPLXKRSA-N 371.448 3.387 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H]2c2ccc(C(N)=O)s2)cc1 20857264 DDIDDBKCMIQZDT-KRWDZBQOSA-N 368.502 3.307 30 50 FGEA N#Cc1cc(-c2cccc(C(=O)N3CCCC[C@H]3CC(N)=O)c2)ccc1F 426429855 SKURMSRNBGPULS-SFHVURJKSA-N 365.408 3.234 30 50 FGEA CN(C)[C@H](CNC(=O)N1CCC(C#N)(c2ccccc2)CC1)c1ccco1 534654311 ZAVZDHGPJQFFCH-GOSISDBHSA-N 366.465 3.149 30 50 FGEA Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 19209021 WFSHPMXCYLQGOZ-IBGZPJMESA-N 364.445 3.135 30 50 FGEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F 19582822 RLPPUNYDLYBSOK-MRXNPFEDSA-N 374.437 3.027 30 50 FGEA Cc1cc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)ccc1[N+](=O)[O-] 1054029 TYYFYPZDBFADPJ-UHFFFAOYSA-N 372.406 3.099 30 50 FGEA COc1ccc(Cl)cc1N/C(N)=N/c1nc(-c2ccccc2)cc(=O)[nH]1 20101054 KUFMPJPHGJSXBJ-UHFFFAOYSA-N 369.812 3.157 30 50 FGEA N#Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c[nH]1 328605071 MFUQNINQBWJYTK-IIBYNOLFSA-N 373.416 3.130 30 50 FGEA S=C(NCc1ccc2c(c1)OCO2)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 253623401 AOCOYSMUPRXTNV-WFADCGHUSA-N 357.479 3.192 30 50 FGEA Cc1cc(C#N)c(N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)nc1C 91493395 PVTCUMIIDRKHNS-OAQYLSRUSA-N 352.482 3.332 30 50 FGEA COc1cccc(CO/N=C/c2cccn2-c2nccc(OC)c2C#N)c1 4024608 VUUFIHVJPQHGNJ-YDZHTSKRSA-N 362.389 3.312 30 50 FGEA CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1ccc(Cl)c(Br)c1 331959105 LFAFXANYMZGFSX-LBPRGKRZSA-N 363.664 3.073 30 50 FGEA N#Cc1cccc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)n[nH]3)C2)c1 169754236 FXDCFSJMSFNONO-HNNXBMFYSA-N 363.446 3.019 30 50 FGEA CCOC(=O)c1ccc(N/N=C/c2ccc(OC)c(OC)c2C(=O)O)cc1 5316075 BOGAKJAOHMJHFN-RGVLZGJSSA-N 372.377 3.025 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1 4598832 QTKGKRZPJYAUPD-UHFFFAOYSA-N 350.374 3.091 30 50 FGEA Cc1cc(C)n(C[C@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)CCO2)n1 161979498 WUKXKBGOZZGNKN-MRXNPFEDSA-N 364.371 3.296 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)N=N1 2325901255 ZSFOEZVZQMNBRT-SFHVURJKSA-N 363.417 3.307 30 50 FGEA C=CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1Cl 4197170 WWSIUHQCLJUGPB-ZDUSSCGKSA-N 371.220 3.359 30 50 FGEA CC[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCC(=O)N1Cc1ccccc1 71755377 SQXVJIUCCYNBTB-HXUWFJFHSA-N 361.445 3.212 30 50 FGEA COc1ccccc1[C@H]1CN(c2cccc(C#N)n2)[C@@H]2C3CCN(CC3)[C@H]12 72164591 UZRXEPVMOSCTQY-STZQEDGTSA-N 360.461 3.028 30 50 FGEA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 95358176 XQMZDOJMPOSFIF-FQEVSTJZSA-N 373.456 3.179 30 50 FGEA CCN1CCN(C(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)[C@H](C)C1=O 426382690 LJHHXAAOCWWCBN-CQSZACIVSA-N 365.408 3.057 30 50 FGEA COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)ccc1O 5577345 QXEACKZCVZKFKV-INIZCTEOSA-N 373.792 3.262 30 50 FGEA C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 13856415 YEUAQVSDGAKESG-ATVHPVEESA-N 367.268 3.460 30 50 FGEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)c2snc(C)c2C#N)cs1 329451437 MBMNIEJINOVUON-JSGCOSHPSA-N 365.503 3.137 30 50 FGEA COCc1ccc([C@H]2CCCN2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 131409203 QSCOGUVBHXDMKB-NVXWUHKLSA-N 359.470 3.294 30 50 FGEA C=CCOc1ccc(CN2CCN(C(=O)c3ccc[nH]3)CC2)cc1CC=C 820505683 TWTMUNLQXRJROW-UHFFFAOYSA-N 365.477 3.266 30 50 FGEA C#CCCC1(CCC(=O)NCc2cccc(NC(=O)N3CCCC3)c2)N=N1 1875381644 BXQQICNYKBFKOF-UHFFFAOYSA-N 367.453 3.286 30 50 FGEA C#CCCC1(CCC(=O)Nc2cc(-c3cccc(OC)c3)nn2C)N=N1 1875381701 DYRIAHYZZOAYBZ-UHFFFAOYSA-N 351.410 3.390 30 50 FGEA C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597167 JEVSPEIIUKYEQC-LBPRGKRZSA-N 368.466 3.282 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(CC)CC(=C)C)C2 14733203 ODSFWFFLEUOSBT-SFHVURJKSA-N 370.541 3.451 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)N=N1 2325891975 RSZNKMIQLXWMMD-HNNXBMFYSA-N 354.458 3.024 30 50 FGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1219453 YEVABRGGXJQQPB-KRWDZBQOSA-N 352.346 3.079 30 50 FGEA COc1cc2c(cc1-c1cc(-c3cc[nH]c3)nc(N)c1C#N)OCCCO2 71754342 LDGBDKJZUGXYLA-UHFFFAOYSA-N 362.389 3.367 30 50 FGEA CCn1cc(C2CCN(/C(O)=N/[C@H]3COc4c(C)cccc4C3)CC2)cn1 329731582 IHQWUMZZEKYFBB-LJQANCHMSA-N 368.481 3.309 30 50 FGEA Cc1nc(N(C)C)nc(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)c1C 426419932 ACKUYSAQEOAKFY-INIZCTEOSA-N 363.465 3.202 30 50 FGEA COc1ccc([C@@H]2O[C@@]34CCCC[C@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 239439231 ZPXPMXLZTDRJBW-XAMWDVODSA-N 362.389 3.204 30 50 FGEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 257358666 VSGTWMOZGFNRPM-NPFJHFETSA-N 360.494 3.055 30 50 FGEA COc1ccccc1CN(C(=O)c1ccc(C#CC(C)(C)O)o1)C1CC1 952972697 UMXYKCVLHRBFRB-UHFFFAOYSA-N 353.418 3.215 30 50 FGEA N#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2cccs2)CC1 6697699 BZILLTPDTJZCRM-UHFFFAOYSA-N 370.459 3.299 30 50 FGEA C=CC(=O)N(C)c1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 2325786960 MOCKGDMGTASNSF-QFIPXVFZSA-N 359.429 3.016 30 50 FGEA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3F)c2C(N)=O)C1 4741170 ZCPGHUUQIQWYDO-SECBINFHSA-N 357.410 3.235 30 50 FGEA Cc1nc(CN2CCCN(C(=O)Nc3cc(C#N)ccc3C)CC2)cs1 172152007 FEGJNDPDIHLDGM-UHFFFAOYSA-N 369.494 3.371 30 50 FGEA Cn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CCCC3)n1 2779164 KYFFJFZOJDOXAC-UHFFFAOYSA-N 365.256 3.247 30 50 FGEA COc1ccc(OC)c(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)c1 71756772 LWWKHHPYTYAJBA-UHFFFAOYSA-N 367.434 3.234 30 50 FGEA O=S1(=O)CCC2(CC1)C[C@@H]2/C(O)=N/[C@@H]1CCOC2(CCCCC2)C1 328884255 NTCMETQFSBRCEU-HUUCEWRRSA-N 355.500 3.040 30 50 FGEA COc1cc(CN2CCC(C)(C#N)CC2)ccc1OCCN1CCCC1 216322376 INJNTNMMVFULOJ-UHFFFAOYSA-N 357.498 3.295 30 50 FGEA COc1ccc(CN2C(=O)COc3nc(C#C[Si](C)(C)C)ccc32)cc1 169794254 RRPWAUUJYVKFGN-UHFFFAOYSA-N 366.493 3.245 30 50 FGEA in-vitro C#CCCC1(CCNC(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)N=N1 2325891138 SPAZCRAVXYBPLA-KRWDZBQOSA-N 366.465 3.047 30 50 FGEA C#CCCC1(CCC(=O)N(Cc2cnnn2C)CC2CCCCC2)N=N1 2325898491 HHZSKWCJVXBYGC-UHFFFAOYSA-N 356.474 3.080 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@H]1c1ccccc1F 1253538 PPKIYTKGLYAIHY-INIZCTEOSA-N 355.321 3.013 30 50 FGEA CCCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 2997075 DGYNSGNNHYVSCA-LDADJPATSA-N 352.843 3.441 30 50 FGEA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C(\N)c1ccncc1 4803736 PIAUFVNCFULYHY-VIFPVBQESA-N 354.193 3.019 30 50 FGEA CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 122158346 HKFSLSROBHHZOK-BXUZGUMPSA-N 368.264 3.401 30 50 FGEA CC1(C)CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H]1[C@@H]1CCCO1 329109553 IZPOMJYKYYAUJG-GXTWGEPZSA-N 353.344 3.002 30 50 FGEA CC(C)n1ncc2c1C[C@@H](/N=C(/O)N1CCN(c3cccs3)CC1)CC2 330102536 IKIMGFKWRGCKFT-INIZCTEOSA-N 373.526 3.119 30 50 FGEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)cn1 82127498 YANLTRDILIPMIK-LJQANCHMSA-N 371.444 3.218 30 50 FGEA C=CCN1C[C@H](C)N(Cc2cc3n(n2)CCCN(C2CCCC2)C3)C[C@@H]1C 1565529737 LRTKJXWBOWJRLB-OALUTQOASA-N 371.573 3.112 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1)c1ccco1 795087 XZODANIRGGLMDT-XHDPSFHLSA-N 359.403 3.098 30 50 FGEA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(C#N)nc2)c1 55413959 CQHNWHBYVBWXDN-UHFFFAOYSA-N 372.384 3.466 30 50 FGEA CC(C)[C@H]1CN(c2ncccc2C#N)CCC(=O)N1Cc1ccc(F)cc1 71712264 YHTBWGKQPUMMLS-LJQANCHMSA-N 366.440 3.356 30 50 FGEA C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2[C@@H](C(=O)OCC)[C@H]3C=C[C@]21O3 248341892 ZXQWXPZHCBDOMJ-YNIGFRRXSA-N 373.836 3.134 30 50 FGEA CC(C)c1noc([C@H](/N=C(/O)[C@H]2CC23CCOCC3)C2CCOCC2)n1 328609587 FCEVZSLOPGVERK-HUUCEWRRSA-N 363.458 3.434 30 50 FGEA CCN1CCC[C@@H](CN(C)C(O)=Nc2cc(C)ccn2)[C@@H]1c1cnn(C)c1 328617011 CHACKJQAUXERHL-QFBILLFUSA-N 370.501 3.074 30 50 FGEA Cc1nn(CCO)cc1-c1cc(-c2ccc(Cl)cc2)nc(N)c1C#N 67447322 RXALHOVKUJBWFQ-UHFFFAOYSA-N 353.813 3.020 30 50 FGEA CC(C)c1ncc(CN2CCc3[nH]cnc3[C@@H]2c2cccc(C#N)c2)cn1 72435051 UABROUWTEPCJPP-FQEVSTJZSA-N 358.449 3.342 30 50 FGEA COC(=O)c1cc(-c2cc(-c3ccc(C)cn3)nc(N)c2C#N)cs1 71753902 JCXZKFWFNCLFFC-UHFFFAOYSA-N 350.403 3.421 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC(OCc3ccccn3)CC2)cc1 820608308 PVEJTJJQOYMZRY-UHFFFAOYSA-N 364.489 3.385 30 50 FGEA C#C[C@@H](NC(=O)Nc1cccc2c1ccc(=O)n2C)[C@H]1CCc2ccccc21 1875341562 XQZFVEOHEAKGQA-PKOBYXMFSA-N 371.440 3.392 30 50 FGEA C=CCOC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccc(OC)cc1 4656270 RZCLVFBNFNEBPZ-XMHGGMMESA-N 367.401 3.204 30 50 FGEA N#Cc1cc(N2CCC(OCCN3CCCC3)CC2)nc2ccccc12 329784849 WKFWQBGGUJJMTF-UHFFFAOYSA-N 350.466 3.188 30 50 FGEA CC(=O)/N=C1\O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(C#N)(C#N)[C@H](c1ccccc1)O3 257540565 UFXCQVZKTDBYFB-ZICIFNQFSA-N 374.400 3.163 30 50 FGEA COc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1OC 850688 DZSJAWFGKFKIJO-UHFFFAOYSA-N 369.384 3.497 30 50 FGEA Cc1ccc(N=C(O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)cn1 328629682 IMUOORXLAIWLGG-INIZCTEOSA-N 368.485 3.363 30 50 FGEA Cc1c(Cl)cnc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1C#N 284578378 GZSFYXDFXWHHJV-SUMWQHHRSA-N 358.877 3.144 30 50 FGEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 257358667 VSGTWMOZGFNRPM-PQSBJRAQSA-N 360.494 3.055 30 50 FGEA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 190522287 KYGKUEZFEGKMID-INIZCTEOSA-N 360.527 3.206 30 50 FGEA CCN(CC)C(=O)CCC(O)=Nc1cnc2c(Br)cccn12 328591869 ZWKUWWLLWVILJU-UHFFFAOYSA-N 367.247 3.333 30 50 FGEA C=CCn1cc(CNCC(=O)NC(c2ccccc2)c2ccccc2)c(C)n1 55413180 KVCSMIHIZKQURY-UHFFFAOYSA-N 374.488 3.373 30 50 FGEA C=C(C)CN(C)C(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1 67868531 FPDRWKBZOZUQOK-UHFFFAOYSA-N 358.394 3.113 30 50 FGEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@H](C)c2ccc(C#N)cc2)oc1C 377770970 CLUGHRLMHBTNBK-CCKFTAQKSA-N 356.445 3.426 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H](OC2CCOCC2)c2ccccc2)N=N1 2325891092 PZBBHYWLTOFKHQ-SFHVURJKSA-N 355.438 3.005 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(F)c1 2486171 IMGKXJYBYVQWJX-INIZCTEOSA-N 360.410 3.205 30 50 FGEA C=CC[C@@H]1CC=C[C@@H](C)N1Cc1ccccc1OCCN1CCOCC1 952872865 FLEVKVGMAVLZAU-TZIWHRDSSA-N 356.510 3.493 30 50 FGEA COc1ccc(C(=O)[C@H]2CCCN(c3cccc(C#N)n3)C2)cc1OC 71759105 WDODGZWHOQEXCR-HNNXBMFYSA-N 351.406 3.070 30 50 FGEA CCCOc1cccc(/C=N\NS(=O)(=O)c2ccc(Cl)cc2)c1 32227879 CDCBAROJYBPKHC-PDGQHHTCSA-N 352.843 3.441 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)o1 952983543 HAZYGYMOAYOJIK-UHFFFAOYSA-N 362.429 3.100 30 50 FGEA O=C1N/C(=N/N=C/c2ccccc2O)S[C@@H]1Cc1ccc(Cl)cc1 971832 HJKSPHXMCLTADY-GDXCHIGESA-N 359.838 3.210 30 50 FGEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 19883866 NNJLXGCNPWLCKM-QGZVFWFLSA-N 370.474 3.278 30 50 FGEA CN1CC2(CCN(Cc3ccc(-c4ccccc4C#N)o3)CC2)OC1=O 72423426 RUXWGSNFAFULOX-UHFFFAOYSA-N 351.406 3.235 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)N=N1 952880257 DOVPVSCQJOVKKN-INIZCTEOSA-N 354.454 3.056 30 50 FGEA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccc(C#CC(C)(C)O)o1 1506405128 IKDMZPZORJKLAO-CQSZACIVSA-N 369.417 3.006 30 50 FGEA N#C[C@@H]1CCCN(C(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)C1 1857708841 PSSSUOJOPLUQPM-ZDUSSCGKSA-N 372.856 3.460 30 50 FGEA CCCC(=O)C1=C(NCCc2ccccc2)CC(C)(C)[C@H](C(=O)OC)C1=O 805839 QZTKJGQYKUURPU-IBGZPJMESA-N 371.477 3.230 30 50 FGEA O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@@H]1n1nnc([N+](=O)[O-])n1 1079211 HRIMPJVBIURDQV-CJNGLKHVSA-N 367.390 3.024 30 50 FGEA CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 1530752 XIQVNETUBQGFHX-QFIPXVFZSA-N 357.494 3.343 30 50 FGEA biogenic,fda CCNC(=O)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5952573 NZCLVOGEFQVXAU-MUOMHZFWSA-N 350.331 3.263 30 50 FGEA COc1cccc([C@@H]2O[C@@]34CCCC[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)c1 239038503 DIHNNJYQROBDAC-CPLUKWAASA-N 362.389 3.204 30 50 FGEA N#Cc1cc(N2CCN(c3c(F)cc(F)cc3F)CC2)c(Cl)cn1 2325867038 IPWDSOCFMXBHFH-UHFFFAOYSA-N 352.747 3.351 30 50 FGEA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H]3CCCCC[C@@]3(C#N)C2)cc1 2325887978 GULYWYUZHRDZQR-GHTZIAJQSA-N 351.450 3.035 30 50 FGEA Cc1nc2n(n1)[C@@H](c1cccnc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 4945093 NAWGZFHMSGCODW-JXFKEZNVSA-N 357.417 3.397 30 50 FGEA C=CCn1nnc(NC(=O)c2cccc3c(Br)cccc23)n1 9053492 DKEMCIOCDYUHHP-UHFFFAOYSA-N 358.199 3.027 30 50 FGEA C[C@@H](O)CCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)CC1 27639221 PPYRMVKHPFIXEU-NIDWPLIZSA-N 350.455 3.315 30 50 FGEA in-vitro O=C(O)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F 100912147 PCMHQFJOOOOJAI-UHFFFAOYSA-N 359.066 3.071 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)N=N1 952881782 MXEZGQCJAKHMEV-UHFFFAOYSA-N 373.888 3.386 30 50 FGEA O=C(N/C(S)=C(\C(=O)c1ccccc1)[n+]1ccccc1)c1ccccc1 4159965 PVWBHAASPRZKMO-UHFFFAOYSA-O 361.446 3.343 30 50 FGEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1cccnc1 5563767 AXAGNZXPHLDMLX-GFCCVEGCSA-N 354.435 3.028 30 50 FGEA O/C(=N/Cc1ccnc(OC2CCCCC2)c1)N[C@@H]1CCO[C@@H]1C1CC1 328832346 KQRNFRFKRAJCRL-IEBWSBKVSA-N 359.470 3.364 30 50 FGEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1004065 OZTRNXZRWSUHQH-UHFFFAOYSA-N 374.437 3.441 30 50 FGEA OC1=NCCCN1c1nc(C/C(O)=N/Cc2noc3ccccc23)cs1 328591305 UFIUPHFYQMVWTP-UHFFFAOYSA-N 371.422 3.108 30 50 FGEA C#C[C@H](NCc1cccc(NC(=O)c2ccc(OC)cc2)c1)[C@@H]1CCCO1 239761409 CJVBMIPENOLHNQ-SFTDATJTSA-N 364.445 3.218 30 50 FGEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccnc1 820552710 CUFDDXWREZDLIV-BDTNDASRSA-N 364.445 3.480 30 50 FGEA C#C[C@H](NC(=O)Nc1cccc2c1ccc(=O)n2C)[C@@H]1CCc2ccccc21 1875341561 XQZFVEOHEAKGQA-MJGOQNOKSA-N 371.440 3.392 30 50 FGEA O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)c2ccc(Cl)cc2)=C1O 5595911 BEHUJWPFAOYRBW-AWEZNQCLSA-N 358.737 3.114 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(N)cc1 4418065 KBWCHBSYLXWZHT-UHFFFAOYSA-N 371.510 3.254 30 50 FGEA O=C1C2=C(N=C3SCC(=O)N3[C@@H]2c2ccccc2F)c2ccccc21 1407006 WYSRQCNBOSCWQG-QGZVFWFLSA-N 350.374 3.419 30 50 FGEA Cc1cnn(CC/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)c1 328614990 XLODSGAMXQNNMA-MRXNPFEDSA-N 361.446 3.212 30 50 FGEA CC(C)n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](C)c1nnc2n1CCCC2 328604489 KERJVZCXTTULTP-KEYYUXOJSA-N 372.473 3.187 30 50 FGEA Cc1cnccc1OC1CCN([C@@H](C)C(O)=Nc2c(C)nn(C)c2C)CC1 329722188 AYKZJJOEPSYRQT-INIZCTEOSA-N 371.485 3.260 30 50 FGEA COC(=O)c1ccc(C#Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 169745903 SGGJQXOMPWFXNR-UHFFFAOYSA-N 362.234 3.172 30 50 FGEA in-vitro N#CC1(c2ccccc2)CCN([C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 1506423151 CRTBDYLWSSSZKO-HXUWFJFHSA-N 351.494 3.335 30 50 FGEA CC[C@@H](C)Oc1cc(/C(O)=N/C(C)(C)c2cc(C(=O)OC)on2)ccn1 328594132 SZXMIXLTZLTYBD-LLVKDONJSA-N 361.398 3.273 30 50 FGEA CC(C)(CC#N)CS(=O)(=O)NCC1(C(F)(F)F)CC2(CCC2)C1 2325782888 MAVXEURVKGCZDQ-UHFFFAOYSA-N 352.422 3.358 30 50 FGEA Cc1c([C@H]2OCC[C@@H]2/C(O)=N/[C@@H](C)c2ccc3c(c2)OCO3)cnn1C 328608651 AVYZDCZQORUDHS-MIUNTBIASA-N 357.410 3.253 30 50 FGEA CCCc1n[nH]cc1/C(O)=N/[C@H](c1nc(C(C)C)no1)C1CCOCC1 328615152 XVWUITLZGJVYAE-HNNXBMFYSA-N 361.446 3.341 30 50 FGEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1 4143633 NFIMDMPKBKXVCH-SFQUDFHCSA-N 367.268 3.460 30 50 FGEA N#CC1(c2ccccc2)CCN(C(=O)Cc2cn3ccsc3n2)CC1 97413256 URTNHIQZJOTACG-UHFFFAOYSA-N 350.447 3.022 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](OCc3cccnc3)C2)s1 820608261 IOWROOZQFXJYKL-SFHVURJKSA-N 370.518 3.447 30 50 FGEA Cc1nnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C#N)c1C 277983991 MHVMITGUJQIZFJ-NSHDSACASA-N 350.348 3.091 30 50 FGEA COc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC 861800 XQITVXNGIIOBHW-FYJGNVAPSA-N 351.406 3.252 30 50 FGEA C=C(C)CN(CC)C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1 12315273 ZIKYNENJJDZTGI-UHFFFAOYSA-N 374.481 3.123 30 50 FGEA CN1C(=O)/C(=N/OC(=O)c2cc(F)c(F)cc2Cl)c2ccccc21 15745697 ZQEPDZSTXJEQRR-XSFVSMFZSA-N 350.708 3.156 30 50 FGEA C#CCCC1(CCC(=O)N[C@H]2C[C@H](c3cccc(C(=O)OC)c3)C2)N=N1 2325892753 ALXXCMIPXYQAAH-QAQDUYKDSA-N 353.422 3.191 30 50 FGEA CCCCc1c(C)nc(N/N=C/c2ccc(OCCC)cc2O)[nH]c1=O 4947099 ADCFUKODYOENFS-UDWIEESQSA-N 358.442 3.361 30 50 FGEA C[C@]1(C#C/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(Cl)Cl 4947742 LPNFKMBOBMFYRZ-RVWHDZECSA-N 357.153 3.488 30 50 FGEA Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229699577 RXBVSJJFXGQSSF-SOIKWTOOSA-N 355.482 3.127 30 50 FGEA CCc1n[nH]c(-c2ccccc2NC(=O)[C@H](C)Oc2ccc(C#N)cc2)n1 161085986 CITGMZBBBMGLEK-ZDUSSCGKSA-N 361.405 3.312 30 50 FGEA C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 2848306 OPEWRWHJRHWRKL-CQSZACIVSA-N 354.381 3.382 30 50 FGEA CCCCCCCCCCCCNC(=O)CN1CCC[C@@H](C(N)=O)C1 100821544 GGSFBZYPHYHMTA-GOSISDBHSA-N 353.551 3.221 30 50 FGEA C=CCc1c(C)nc(N)nc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 95363521 XVQSZKRDPATNSK-GOSISDBHSA-N 351.498 3.054 30 50 FGEA Cc1ccc(C#N)c(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3C)n1 95352803 KMJMWPVKDOYXAT-IBGZPJMESA-N 360.461 3.247 30 50 FGEA C=CCSCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 95372881 UQALMTYAHCCLDQ-CEWLAPEOSA-N 372.534 3.003 30 50 FGEA CN(C)c1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1299117 YBNHLMOGQQZCNK-XDHOZWIPSA-N 353.451 3.094 30 50 FGEA C=CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 12092603 NWSDZXHXMDFIMZ-IBGZPJMESA-N 366.465 3.385 30 50 FGEA O=C(C#Cc1ccccc1)N1CCC[C@@](CO)(CCOc2ccccc2)C1 12385663 BVIQQAPXMDFJTJ-HSZRJFAPSA-N 363.457 3.108 30 50 FGEA CCCOC(=S)N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 12731680 NRVAYTMKZPIXFV-UHFFFAOYSA-N 362.476 3.123 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(n3cnc4c3CCCC4)CC2)N=N1 2325892154 BNXKCNAQYDKWDK-UHFFFAOYSA-N 353.470 3.281 30 50 FGEA CCn1cc([C@H]2OCCC[C@@H]2NC(O)=Nc2cccc(C#N)c2C)cn1 330319720 DKZKPJQYJUSUAU-ZWKOTPCHSA-N 353.426 3.139 30 50 FGEA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCC[C@H](C#N)C2)c1 92097552 AJWOLFOGEIMMQT-OAHLLOKOSA-N 356.422 3.028 30 50 FGEA Cc1c(CN2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)cc(C#N)n1C 91626237 FBAIRTWOUZGJHO-XMSQKQJNSA-N 374.532 3.269 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2CCN(Cc3ccccc3)CC2(F)F)N=N1 1875381516 XMAPZIDLQIHXAR-KRWDZBQOSA-N 374.435 3.226 30 50 FGEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1ccc(O)cc1 5129305 DNOHXBVKVYTRHS-CYBMUJFWSA-N 369.446 3.339 30 50 FGEA C#CCCC1(CCC(=O)N[C@@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)N=N1 2325894919 YEIQOIMYKHEGDO-VFNWGFHPSA-N 367.449 3.424 30 50 FGEA CN(Cc1csc(-c2ccccc2)n1)C(=O)C1=CC(=O)CC(C)(C)O1 67894777 FNAJZJCOLJDBEG-UHFFFAOYSA-N 356.447 3.420 30 50 FGEA CCCCCCCC[C@@H](O)CCC(=O)N1CCC[C@H]1c1nncn1C 253407674 HXVOSMASLGJHTK-SJORKVTESA-N 350.507 3.370 30 50 FGEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccnc3cc(F)ccc23)C1 328614005 UWDJTSHZILQVPI-GOSISDBHSA-N 355.373 3.147 30 50 FGEA N#Cc1c[nH]c2ccc(Cl)cc2c1=NC[C@H]1CCC2(CCOCC2)[C@H]1O 328661296 AARXVVQSEMBAJN-YJYMSZOUSA-N 371.868 3.161 30 50 FGEA O/C(CN1CCN(Cc2cccs2)CC1)=N\c1cccc2nsnc12 22752237 PMVLCPCIMFVANG-UHFFFAOYSA-N 373.507 3.159 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)N=N1 952882015 OVDWMRGGEZHSTQ-MRXNPFEDSA-N 354.454 3.374 30 50 FGEA N#Cc1ccc(N2CC[C@H]3[C@@H](CCCN3C(=O)c3ccc(F)s3)C2)nc1 1875280434 JIPOPLFOHLTZLV-GJZGRUSLSA-N 370.453 3.285 30 50 FGEA C[C@H](c1cccc(C#N)c1)N1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 2325820737 VVDPXGGNZATSDB-QGZVFWFLSA-N 372.472 3.279 30 50 FGEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 4856981 DSBPPYQEKIVXTL-UHFFFAOYSA-N 350.827 3.057 30 50 FGEA COc1cc([C@H](C#N)NC(=O)[C@@H](C)c2ccsc2)cc(OC)c1OC 157983047 CRQGOQZUHJCBEU-FZMZJTMJSA-N 360.435 3.258 30 50 FGEA N#Cc1ccc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 95383108 YLTFAAKLBOPYGE-YTFSRNRJSA-N 359.473 3.326 30 50 FGEA C=CC(C)(C)C(=O)N1CCC2(CC1)C[C@H](O)c1nn(C3CCCC3)cc1O2 1875394338 FZORYJUOVPGFCF-INIZCTEOSA-N 373.497 3.388 30 50 FGEA COc1ccc([C@@H](C#N)C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1OC 6484583 MYAVAOPLQUFUGE-CQSZACIVSA-N 372.808 3.481 30 50 FGEA C=CCN(Cc1ccc(F)cc1)C(=O)c1coc(CN2CCOCC2)c1 55369608 MPDBHQKYILHCDU-UHFFFAOYSA-N 358.413 3.079 30 50 FGEA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 59749587 LCULWUNQRFTOLF-UHFFFAOYSA-N 362.861 3.324 30 50 FGEA Cn1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1C(F)(F)F 215925321 HFIGTKYEERUWQH-UHFFFAOYSA-N 362.355 3.136 30 50 FGEA C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(OCC)cc3)cc21 32593384 PMDBFYISAWGOTI-UHFFFAOYSA-N 352.390 3.249 30 50 FGEA Cc1c([C@H]2CC2(C)C)nc(N)c(C#N)c1-c1ccc(S(C)(=O)=O)cc1 71735892 ZZFRKFJRZFEDMB-OAHLLOKOSA-N 355.463 3.428 30 50 FGEA N#Cc1ccnc(N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)c1 95499733 HWIYMMJIFKNZHU-UHFFFAOYSA-N 366.440 3.405 30 50 FGEA C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 426712151 NVMSJYRMYMRLRC-MRXNPFEDSA-N 360.461 3.319 30 50 FGEA Cc1c(C#N)c(=O)oc2c(Br)c(O)c(Br)cc12 253471000 JPSYPWDFKXNWSS-UHFFFAOYSA-N 358.973 3.204 30 50 FGEA N#Cc1c(NC(=O)CSc2nnc(N)s2)sc2c1CCCCC2 12343588 SWPKWZRRGAULGU-UHFFFAOYSA-N 365.509 3.053 30 50 FGEA CC(=O)/C(=N\Nc1ccc(Cl)c(C(N)=O)c1)Nc1ccc(C)cc1C 16677400 PEADLOCWRNLOOL-UHFFFAOYSA-N 358.829 3.482 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-] 19315018 QSVOQALWIYQLDV-QGZVFWFLSA-N 356.378 3.126 30 50 FGEA C#Cc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1 23373692 CMHXCEMOSYBEDL-FQEVSTJZSA-N 370.443 3.015 30 50 FGEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2cccc(Cl)c2F)cc1 1565510775 ILPIBEKRLISSTG-IRXDYDNUSA-N 374.799 3.317 30 50 FGEA C=CCc1ccc(OCCCN2CCC(C(=O)OCC)CC2)c(OC)c1 6702098 OBLNIYPHGTZSNM-UHFFFAOYSA-N 361.482 3.468 30 50 FGEA C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)C(C)(C)C 7759835 KYAHDCUJRHLIKI-UHFFFAOYSA-N 359.426 3.315 30 50 FGEA Cc1ccc(C/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 328628184 NLUBYFDPVINULX-CYBMUJFWSA-N 352.360 3.367 30 50 FGEA N#Cc1ccnc(N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)c1 426720053 ZPWKWAXQOLYPFK-JOCHJYFZSA-N 360.461 3.015 30 50 FGEA COc1ccccc1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 230543394 LAIPKACAYJOFBB-UHFFFAOYSA-N 353.227 3.247 30 50 FGEA COc1ccc(-c2ccnc(C3CCN(C(=O)[C@@H](C)C#N)CC3)n2)cc1 952892284 NJMJHQRJOHPRGF-AWEZNQCLSA-N 350.422 3.018 30 50 FGEA COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1OC 13124998 PHIPFFIOAKIXKT-MRXNPFEDSA-N 373.792 3.223 30 50 FGEA C#CCCC1(CCNC(=O)c2cccc(NC(=O)c3cccnc3)c2)N=N1 2325891113 REDFZKJXIBBOLY-UHFFFAOYSA-N 361.405 3.029 30 50 FGEA COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O[C@H](C)C(=O)O 2999215 XZBFUHRSTKFICE-LLVKDONJSA-N 352.342 3.010 30 50 FGEA Cc1cccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccccc3[N+](=O)[O-])S2)c1 4964821 AMVWTCYYLIWVKQ-ZVCOJXFSSA-N 368.418 3.067 30 50 FGEA CC(C)c1noc([C@H](NC(=O)c2sccc2C#N)C2CCOCC2)n1 328610365 HLTBNJHBHFQCTP-CYBMUJFWSA-N 360.439 3.024 30 50 FGEA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1ccc(F)cc1)O3 136436833 ZAHTUSMPCRFEFD-WTLGNFPFSA-N 350.353 3.335 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C\c2c(O)ccc3ccccc23)c(C)c1 17073312 YSIADPYSPGBFKP-NDENLUEZSA-N 354.431 3.475 30 50 FGEA COc1ccc(/C=N/N=C2\C[C@@H](c3ccccc3)Cc3n[nH]c(=O)cc32)cc1 978736 AXLLPXUFZZJCLN-VUUKMEJHSA-N 372.428 3.332 30 50 FGEA COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)c1 1066003 FAJCSXPNRKJKSE-GOSISDBHSA-N 371.364 3.332 30 50 FGEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 215682368 UTMVOVKJEKWRAM-OAHLLOKOSA-N 353.813 3.404 30 50 FGEA N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)C1 534650514 YBIDTNNBNMUDOD-KRWDZBQOSA-N 371.444 3.369 30 50 FGEA N#Cc1ccc(N2CCC[C@@H](N3CC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 186699221 CNGQMLYPLIJINI-GGAORHGYSA-N 373.456 3.185 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(Br)cc1 1187114 OKTXZRPKDRUVNY-OAHLLOKOSA-N 373.206 3.333 30 50 FGEA Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\N)c1ccncc1 4810746 XFCYEPXGPWWFQD-UHFFFAOYSA-N 356.769 3.176 30 50 FGEA CC(C)C(=O)N1CCC[C@@H]2CN(c3snc(Cl)c3C#N)CC[C@@H]21 1875280594 YSPQZQAWMLNOLY-YPMHNXCESA-N 352.891 3.141 30 50 FGEA Cn1c(C/N=C(/O)[C@@H]2C[C@@]23CCOc2ccccc23)nnc1C1CCC1 329557742 BZEPCZRIQGPVEF-MGPUTAFESA-N 352.438 3.280 30 50 FGEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccnc2)cc1 9108999 WKEVMXMPAPRAFT-QRWLVFNGSA-N 373.416 3.097 30 50 FGEA O=C(Nc1ccc2c(c1)CN(CC#Cc1ccccc1)CC2)[C@@H]1CCCO1 23337475 OXHQCHFLKBSRJM-QFIPXVFZSA-N 360.457 3.214 30 50 FGEA N#Cc1cnnc(N2C[C@@]34CCCC[C@@]3(CN(Cc3ccccc3)C4)C2)c1 1875347381 NCPWOVFXZBXESJ-SZPZYZBQSA-N 359.477 3.231 30 50 FGEA Cc1cccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccccc3[N+](=O)[O-])S2)c1 18209054 AMVWTCYYLIWVKQ-YDDPGSGASA-N 368.418 3.067 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC)cc1 2967608 STLVBGHFTMZCKT-QGZVFWFLSA-N 372.446 3.075 30 50 FGEA OCC[C@H]1CN(CC#Cc2ccccc2)CCN1CCCc1ccccc1 22920355 IPBZKTUGKPRFPV-DEOSSOPVSA-N 362.517 3.040 30 50 FGEA C=C/C(O)=N/[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 328599750 TWAZFKYSBXDOKC-QGZVFWFLSA-N 358.463 3.466 30 50 FGEA Cn1nc([C@@H]2CCCOC2)cc1N=C(O)c1ccncc1Br 329869975 ZPVBSCOBWWGFBU-SNVBAGLBSA-N 365.231 3.108 30 50 FGEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2cccc(OC)c2O)cc1 17074575 PCGOPJGUHXOCJH-KZKLBEMASA-N 362.451 3.227 30 50 FGEA CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(O)c2)c1 1274564 IVFZQKLHQPDEBG-VCHYOVAHSA-N 356.407 3.300 30 50 FGEA CCOC(=O)/C(=N\Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 16512338 FEUXGUKYTBFJJT-LVZFUZTISA-N 360.435 3.066 30 50 FGEA C=CCC[C@@H](NC(=O)N1CCN(c2nccnc2C)CC1)c1ccccc1 441090566 MKZCHGGOVWAGDU-LJQANCHMSA-N 365.481 3.324 30 50 FGEA C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 2848305 OPEWRWHJRHWRKL-AWEZNQCLSA-N 354.381 3.382 30 50 FGEA CC(C)OC(=O)C(=O)/C=C(/Nc1cccc(C(=O)O)c1)c1ccccc1 100087562 LPLHNCRZAOMPKT-SFQUDFHCSA-N 353.374 3.359 30 50 FGEA COc1ccc(CCNC(C)=C2C(=O)c3ccccc3C2=O)cc1OC 100564400 TZCDNTRBMFSTAJ-UHFFFAOYSA-N 351.402 3.189 30 50 FGEA Cc1cc(C(=O)N2CSC[C@H]2/C(O)=N/CCC(C)C)c2n[nH]cc2c1 329238148 PLRBEZHGTAYCQD-HNNXBMFYSA-N 360.483 3.389 30 50 FGEA Cn1ccnc1[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C1CC1 534586316 GMHBIQBZBVYGEA-GOSISDBHSA-N 363.465 3.138 30 50 FGEA CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 221996152 WYTVNHIPJXXNTF-HWYSNBAISA-N 366.889 3.162 30 50 FGEA C=CCc1cc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)ccc1OC(C)C 1616073217 GFEUQMWYMBHTMO-FPOVZHCZSA-N 367.493 3.028 30 50 FGEA Cc1c(C#N)c(NCc2cc(O[C@@H]3CCNC3)ccn2)nc2ccccc12 818629009 SHCOYMNFZLHOCM-QGZVFWFLSA-N 359.433 3.163 30 50 FGEA C=C(C)COc1c(CN2Cc3ccccc3C[C@@H]2C(N)=O)cccc1OC 55132205 IYLNMSBUDQFBQY-LJQANCHMSA-N 366.461 3.062 30 50 FGEA OC(=Nc1nc2c(s1)CCCC2)N1CC[C@@H](OCc2ccncc2)C1 328849438 UEIKHFILGOMQTO-CQSZACIVSA-N 358.467 3.254 30 50 FGEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N/NC(N)=S 252694572 MOQTVGQHEGMMDS-MRPBXRAOSA-N 361.555 3.499 30 50 FGEA biogenic C#CCCC1(CCC(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)N=N1 952879122 AETCVPZEZCDKMM-QGZVFWFLSA-N 363.421 3.360 30 50 FGEA COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)cc(Br)c1O 4038325 OFIKGOLIUKGDOD-CAOOACKPSA-N 365.183 3.308 30 50 FGEA Nc1nnnn1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1191485 JVRWCSZXJYYRFB-UFWORHAWSA-N 363.208 3.023 30 50 FGEA C/C(=N/OC(=O)c1ccccc1I)c1ccncc1 4724506 VVUIJBNFTKZSPY-YVLHZVERSA-N 366.158 3.267 30 50 FGEA N#Cc1cccnc1SCC(=O)Nc1nnc(-c2ccccc2)s1 9189819 RMHUIWBZHGRJQZ-UHFFFAOYSA-N 353.432 3.203 30 50 FGEA N#Cc1cccnc1N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72171216 PNDKCDYAPUTIAZ-NSISKUIASA-N 366.415 3.298 30 50 FGEA CC(F)(F)C1(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1875298373 YUFRHPFJKVZDCC-UHFFFAOYSA-N 365.399 3.465 30 50 FGEA CCN(CC)c1ccc2c(c1)oc1nc(N)c(C#N)c3nc(N)c(C#N)c2c13 5408379 CUMAXIKNOVIPOM-UHFFFAOYSA-N 371.404 3.283 30 50 FGEA Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 19209030 QWLYNZCBXXECSA-QGZVFWFLSA-N 370.474 3.196 30 50 FGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2ccncc2F)C1 1857725390 UKASORKBTRNSLU-HNNXBMFYSA-N 369.396 3.032 30 50 FGEA OC(=Nc1cnc2c(c1)CCCC2)N[C@H]1CCCO[C@@H]1c1ccncc1 328657279 ORRNOJZPGKSSPC-RBUKOAKNSA-N 352.438 3.411 30 50 FGEA CCc1cc(N2C[C@H](C(N)=O)CC[C@H]2C)n2c(nc3ccccc32)c1C#N 252515563 LPICJNKBLFJHFU-UKRRQHHQSA-N 361.449 3.012 30 50 FGEA Cc1cc(/C(O)=N/C[C@H]2CCCCS2(=O)=O)c(Br)s1 329683422 ZDHADUXFNWFPML-SECBINFHSA-N 366.302 3.091 30 50 FGEA Cc1cscc1N=C(O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328620602 HCLVBSUNUMSPST-INIZCTEOSA-N 373.482 3.066 30 50 FGEA N#Cc1ccc(-c2cccc(C(=O)N3CCC4(CCC(=O)NC4)CC3)c2)cc1 426465489 RIVIBVFBWOOGRK-UHFFFAOYSA-N 373.456 3.358 30 50 FGEA Cc1cc(F)cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(C#N)nc3)C2)c1 1875340521 GDVHNFGOGPYVSJ-YOEHRIQHSA-N 352.413 3.411 30 50 FGEA C=CCC1(O)CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 886762227 UKEHZXFWVUXCDF-HUUCEWRRSA-N 350.890 3.309 30 50 FGEA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccccc1C#N)CC2 95375330 WHTPAXSWFWCKER-FQEVSTJZSA-N 373.456 3.179 30 50 FGEA Cc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c(C#N)c2N)cc1 826802819 HSXUYQXWYTXZNV-UHFFFAOYSA-N 351.431 3.132 30 50 FGEA C#CCCC1(CCNC(=O)c2cn(C(C)C)c(=O)c3ccccc23)N=N1 2325887387 MYKWAHRQHSZPIL-UHFFFAOYSA-N 350.422 3.278 30 50 FGEA CS(=O)(=O)c1c(F)cc(N=C(O)[C@@H]2C[C@H]2c2cccnc2)cc1F 328590454 CNDFLDUSXNNHCV-NWDGAFQWSA-N 352.362 3.155 30 50 FGEA Cc1cc(C)c(C#N)c(N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)n1 72158524 JGQLVLGPEXMTJS-QGZVFWFLSA-N 364.449 3.422 30 50 FGEA Cc1nn(CCNC(=O)Cn2c(C)c(C#N)c3ccccc32)c(C)c1Cl 426465381 YWDGXVDZFUCAFD-UHFFFAOYSA-N 369.856 3.105 30 50 FGEA Cn1ccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)n1 181963402 PSOIHOQHISCXGR-UHFFFAOYSA-N 360.377 3.188 30 50 FGEA N#Cc1cc(Cl)ccc1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818145839 RMTAYPMVJBCOGB-SFHVURJKSA-N 358.829 3.046 30 50 FGEA O=C(N1CCCC1)N1CCC[C@@H](/C(O)=N/Cc2nc3ccccc3o2)C1 329117075 UHQPJYQGOQMTKM-CQSZACIVSA-N 356.426 3.212 30 50 FGEA N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]nc2[C@H]2CCNC2)cc1 2325857254 VDOVGMZEDXDKJV-HNNXBMFYSA-N 373.416 3.403 30 50 FGEA CCOc1ccc(C[C@@H]2S/C(=N\N=C\c3cccs3)NC2=O)cc1 6595706 MSFBUAORZRLHQN-LZNAANCOSA-N 359.476 3.311 30 50 FGEA C=CCN(Cc1nc(-c2ccc(C)s2)oc1C)[C@H]1CCS(=O)(=O)C1 20255685 AVTHSFCPMIWMGL-AWEZNQCLSA-N 366.508 3.195 30 50 FGEA COc1cccc([C@@H]2CN(c3ncccc3C#N)[C@@H]3C4CCN(CC4)[C@H]23)c1 72170537 RWXWJZOEWBDNGS-PWRODBHTSA-N 360.461 3.028 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc(Cl)c2N2CCOCC2)N=N1 952881054 JVOQZYKHBHEVDH-UHFFFAOYSA-N 360.845 3.471 30 50 FGEA C#Cc1cccc(NC(=S)N/N=C/c2cc(-n3ccnc3)cs2)c1 1875259044 SUNQNOUCYNVQNV-VXLYETTFSA-N 351.460 3.236 30 50 FGEA N#Cc1ccc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)cn1 212573363 LGTVJADYVDOWCD-RTWAWAEBSA-N 357.413 3.097 30 50 FGEA N#Cc1cccc(CSc2nnc(CCCO)n2-c2ccccc2)c1 3003275 MGILWUAWAQSFFQ-UHFFFAOYSA-N 350.447 3.356 30 50 FGEA Cc1cc(C)nc(N/N=C/c2cccc(I)c2)n1 4949125 BIHJCUMIWGAZCE-OVCLIPMQSA-N 352.179 3.144 30 50 FGEA Cc1c(N2CCCC2)ccc2c1NC(=O)C[C@H]2c1cc(C#CCO)cs1 65394475 ZLJONYCTRAUTEH-QGZVFWFLSA-N 366.486 3.475 30 50 FGEA C/C(O)=N/CCCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 328607548 WIRIGPNUBJQJCY-YLJYHZDGSA-N 354.454 3.457 30 50 FGEA CC(C)[C@@H](NC(=O)CC1=C(c2ccccc2)CCC1=O)c1nccn1C 299784264 SXLDRYFQMMHTAX-HXUWFJFHSA-N 351.450 3.440 30 50 FGEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)s1 18097651 WDQWZNJLIXLQIS-GOSISDBHSA-N 361.463 3.214 30 50 FGEA N#Cc1cc2c(nc1N1[C@H]3CC[C@H]1CC(O)(c1ccccc1)C3)COCC2 2325784218 JPEJCDWMKCCDHT-OALUTQOASA-N 361.445 3.045 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)N=N1 2325892011 XUXRUPVUOKOYHB-INIZCTEOSA-N 354.410 3.098 30 50 FGEA CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1cccnc1 6726987 ZJDAOMWKPORLKR-UHFFFAOYSA-N 370.463 3.024 30 50 FGEA COc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cc(F)c1O 67739788 UYNZIACGMKEMLN-UHFFFAOYSA-N 351.337 3.428 30 50 FGEA Cc1nn([C@@H](C)CC(=O)O)c(C)c1-c1cc(-c2ccoc2)c(C#N)c(N)n1 71479413 XJMAOFZSTUAVDF-JTQLQIEISA-N 365.393 3.312 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 91426338 CKGFNICCJHINMI-IBGZPJMESA-N 358.449 3.286 30 50 FGEA CN(c1oc(-c2cccs2)nc1C#N)S(=O)(=O)c1ccccc1F 1857798534 MBHNHLXIOYACPZ-UHFFFAOYSA-N 363.395 3.239 30 50 FGEA CCCCn1c(N)[n+](CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 3121455 YVQXLGUDFPFAFC-UHFFFAOYSA-O 368.457 3.211 30 50 FGEA C=CCOc1ccccc1CN(CC)C(=O)c1ccc(-n2cnnc2)cc1 55403650 HIAWOTAYSYDRGM-UHFFFAOYSA-N 362.433 3.494 30 50 FGEA Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] 2782469 BRGKDUNPZIYCLQ-ONGXEEELSA-N 373.438 3.357 30 50 FGEA Cc1c(Cl)cccc1N1CCCN(C(=O)C2(C#N)CCOCC2)CC1 284132128 PFYWNLJKBIVDOY-UHFFFAOYSA-N 361.873 3.008 30 50 FGEA CCc1cc(C#N)ccc1NC(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 95524986 GVVNDDHUVAFFBD-INIZCTEOSA-N 368.481 3.375 30 50 FGEA N#Cc1cccc(C2(NC(=O)C[C@@H]3Cc4ccccc4NC3=O)CCC2)c1 2325780840 SJCXUNLGRWBKFX-KRWDZBQOSA-N 359.429 3.255 30 50 FGEA C#CCCC1(CCNC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2O)N=N1 2325893704 UUMPTAIKWSJHRF-UHFFFAOYSA-N 365.437 3.397 30 50 FGEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 4842374 UMFYEFWNVCNCEF-LJQANCHMSA-N 374.223 3.434 30 50 FGEA COc1ccccc1/C=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1 4997422 LATYFQPRHCIDOI-RCCKNPSSSA-N 366.469 3.132 30 50 FGEA Cc1ccccc1N1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)[C@@H](C)C1 65374992 GVKSAMDLCDZNHV-KRWDZBQOSA-N 366.461 3.061 30 50 FGEA CCOC(=O)C1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 812415 WTVDCSZLJUSLSS-UHFFFAOYSA-N 362.433 3.447 30 50 FGEA N#Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H](CCC(N)=O)C3)cc2)c1 426433714 XCXPXBPBVQDIKV-INIZCTEOSA-N 361.445 3.343 30 50 FGEA Cc1nc(CN(C)C(=O)c2cccc(-c3cc(C)c(C#N)c(C)n3)c2)no1 584892939 AVTRYSCEVYMFDV-UHFFFAOYSA-N 361.405 3.201 30 50 FGEA CC(C)(C)C(=O)Nc1c(C#N)cc(I)nc1Cl 66054460 KOKBLLPPULBISC-UHFFFAOYSA-N 363.586 3.196 30 50 FGEA in-vitro CCCC12CCC(O)(CC1)C/C2=N\NS(=O)(=O)c1ccc(C)cc1 15660090 YJZUQUOWLOVNFA-KNTRCKAVSA-N 350.484 3.125 30 50 FGEA C#CCCC1(CCN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)N=N1 2325891718 XYLXFQDMFRVRPT-INIZCTEOSA-N 362.792 3.212 30 50 FGEA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 100579235 FWIFERBOORYZAE-LJQANCHMSA-N 370.449 3.018 30 50 FGEA Cc1nc(N/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)oc1C 328640156 XFOCCMRXFWKRIZ-JTQLQIEISA-N 357.336 3.095 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)/C(O)=N/Cc1cscn1 328639425 PMADSJUAYDDIEA-JSGCOSHPSA-N 368.503 3.163 30 50 FGEA CCCn1nnc2cc(-c3cc(-c4cccnc4)c(C#N)c(N)n3)ccc21 71721442 ANAWYCROKVQOIQ-UHFFFAOYSA-N 355.405 3.419 30 50 FGEA Cc1ccc([C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]2NC(=O)C2CC2)cc1 82087930 OFSLTURYMFCWOQ-FCHUYYIVSA-N 359.473 3.361 30 50 FGEA C#CCCC1(CCC(=O)N(C)C[C@@H]2CN(CC)c3ccccc3O2)N=N1 952881682 MHNQZVZSQZHPIW-MRXNPFEDSA-N 354.454 3.088 30 50 FGEA COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 19594668 ZCEQYVGXLODPSN-WQRHYEAKSA-N 366.417 3.063 30 50 FGEA COc1ccc(C(=O)CSc2nc3c(cc2C#N)CCC3)cc1OC 1125970 UFVVZTDDYQGUSN-UHFFFAOYSA-N 354.431 3.434 30 50 FGEA CCN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 4953521 PWMJSYHAUQMSLE-UHFFFAOYSA-N 352.843 3.094 30 50 FGEA N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 332718262 ZYZIZRBTUZQVRJ-DGCLKSJQSA-N 363.343 3.446 30 50 FGEA N#Cc1c(Cl)nsc1NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 170635494 VDKOAUHHKXWBGT-JTQLQIEISA-N 372.233 3.238 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)N=N1 2325886138 WKLZLFMFHCDWDX-CZUORRHYSA-N 368.437 3.329 30 50 FGEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)s1 4663848 WDQWZNJLIXLQIS-SFHVURJKSA-N 361.463 3.214 30 50 FGEA Cc1ccc(C/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 328628185 NLUBYFDPVINULX-ZDUSSCGKSA-N 352.360 3.367 30 50 FGEA CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@@H](c1ccc(OC)cc1)O2 137215055 GTRWMWKCKQQGHI-GGCQVYRISA-N 350.378 3.060 30 50 FGEA C=CCN1C[C@H](C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)CCC1=O 71748986 YGBIKVRFNYYUNR-MRXNPFEDSA-N 353.466 3.134 30 50 FGEA N#Cc1cccc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)c1 2356169930 MDERKOHRBLPMIR-HSZRJFAPSA-N 373.456 3.356 30 50 FGEA CCN(CC)C1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O 100999427 XZYPZANFKFUAES-UZYVYHOESA-N 368.458 3.287 30 50 FGEA COc1ccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 102676503 ZPXPMXLZTDRJBW-XNFNUYLZSA-N 362.389 3.204 30 50 FGEA C=C(C)CN(CC)[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 14748435 SPCYPOQNEKYZTD-QGZVFWFLSA-N 358.530 3.284 30 50 FGEA CC(C)c1noc([C@@H](/N=C(/O)CC2(O)CCCC2)C2CCOCC2)n1 328610356 HJPBFYOXMHHIRS-HNNXBMFYSA-N 351.447 3.312 30 50 FGEA C#C[C@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(F)cc1 812486462 QETNQMZZPMPWTQ-KRWDZBQOSA-N 359.364 3.447 30 50 FGEA CC1CCC(C(=O)NC2C[C@H]3CN(c4ccncc4C#N)C[C@@H]3C2)CC1 1875339080 VNKYKKUXPZQGGK-GQGLESIBSA-N 352.482 3.111 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 19300856 RNEWXZZWHLZGDL-KRWDZBQOSA-N 370.405 3.372 30 50 FGEA C#CCCC1(CCNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)N=N1 2325891035 MKDXYDDNQCZRCB-LJQANCHMSA-N 374.444 3.240 30 50 FGEA COc1ccc(/C=N/O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 252445394 NIMPWLUOSZASHB-PYCFVTFTSA-N 374.481 3.384 30 50 FGEA CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 39030584 XZGNHTJSFCBWHG-UHFFFAOYSA-N 359.423 3.327 30 50 FGEA N#Cc1cccc(CS(=O)(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)c1 287159792 CZWFUSYLDQPNMF-HUUCEWRRSA-N 360.401 3.346 30 50 FGEA COC(=O)c1ccc(NC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1 953034996 YGNGSBREWOHUMA-UHFFFAOYSA-N 359.426 3.178 30 50 FGEA CCN1CCC[C@@H](CN(C)C(O)=Nc2ccc(C)nc2)[C@@H]1c1cnn(C)c1 328619975 GPMUWFPMBBSOTR-QFBILLFUSA-N 370.501 3.074 30 50 FGEA Cc1nsc(NC[C@]2(F)C[C@H](NC(=O)[C@@H]3CCC[C@@H]3C)C2)c1C#N 1875408364 ULMAHMXIUZHIEE-AKENFEQQSA-N 350.463 3.158 30 50 FGEA C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCCCC)cc1 4949556 ZZVUNYZEVBFLJT-QGZVFWFLSA-N 360.479 3.388 30 50 FGEA C=CCc1c(C)nc(SCC(=O)Nc2ccc(Cl)cc2C)[nH]c1=O 9553487 KXIBXKMPAYLVDD-UHFFFAOYSA-N 363.870 3.499 30 50 FGEA Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229699586 RXBVSJJFXGQSSF-DAESXHAQSA-N 355.482 3.127 30 50 FGEA Cc1nn(C)cc1/C=C/C(=O)c1ccc(I)cc1 6527170 PRQFHNODSXSBBB-VMPITWQZSA-N 352.175 3.229 30 50 FGEA Fc1ccc(C#CCN2CCN(c3ncnc4sccc34)CC2)cc1 157454092 BGZYQSDCZCQRDO-UHFFFAOYSA-N 352.438 3.004 30 50 FGEA CC[C@@H]1CCc2nc(N)c(C#N)c(-c3cc(OC)c(O)c(OC)c3)c2C1 71404180 SICYFXZKHVHICS-LLVKDONJSA-N 353.422 3.440 30 50 FGEA Cn1cnn(-c2ccc(NCC#Cc3ccc(C(F)(F)F)cc3)cc2)c1=O 179774885 NSSUYHOXRROTTG-UHFFFAOYSA-N 372.350 3.053 30 50 FGEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 1182046 PQLZNCSDFFWYOR-YBFXNURJSA-N 360.435 3.025 30 50 FGEA O=S(=O)(N/N=C/c1cccc(Br)c1)c1ccc(Cl)cc1 1187606 YWXZEOIFBSWLDN-CXUHLZMHSA-N 373.659 3.415 30 50 FGEA C=C(C)CN(CC)C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 12430805 QITJZDQMERJIBI-UHFFFAOYSA-N 357.454 3.221 30 50 FGEA COc1cc(-c2nnc(S)n2/N=C/c2ccc(C)o2)cc(OC)c1OC 5602355 KILCKNMJPMIDRN-GIJQJNRQSA-N 374.422 3.043 30 50 FGEA N#Cc1ccc(O[C@H]2CCN(C(=O)C3C4CC5CC(C4)CC3C5)C2)nc1 329255318 CPPAUCMSFLTKEC-RJFAQORQSA-N 351.450 3.005 30 50 FGEA CC(C)Oc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 8844131 LWXAQIQFCCOZMZ-UHFFFAOYSA-N 362.433 3.077 30 50 FGEA N#Cc1ccc(N2CC[C@H](OC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)C2=O)cc1 252678554 FHNKKGLVCJHKNV-FHWLQOOXSA-N 364.376 3.150 30 50 FGEA CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 225532518 OQRMONIQSUOVPF-SFHVURJKSA-N 371.481 3.079 30 50 FGEA CCCc1ccc(S(=O)(=O)N/N=C\c2cccc(OCC)c2O)cc1 17074570 IRLNSPMEPXOCPL-UYRXBGFRSA-N 362.451 3.056 30 50 FGEA Cc1cccc(Cl)c1C(=O)N1CCCN(Cc2c[nH]c(C#N)c2)CC1 1775981081 NOEXHNKUXQBYPH-UHFFFAOYSA-N 356.857 3.196 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1204338 WVPUFUZSCXSGKZ-KRWDZBQOSA-N 352.346 3.392 30 50 FGEA CCN1CCC[C@@H](CN(C)Cc2cc(F)ccc2C#N)[C@@H]1c1cnn(C)c1 328628481 HHWQFXXEQJSPFQ-LAUBAEHRSA-N 369.488 3.336 30 50 FGEA COc1cc([C@@H](C#N)NC(=O)[C@H](C)c2ccsc2)cc(OC)c1OC 157983482 CRQGOQZUHJCBEU-BXUZGUMPSA-N 360.435 3.258 30 50 FGEA CC(=O)OCCCCCC/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 43761492 GVHUOSSDDKPEEG-CXUHLZMHSA-N 352.347 3.414 30 50 FGEA Cc1n[nH]c(C2CCN(C(=O)c3cccc(-c4cccnc4C#N)c3)CC2)n1 299788095 VBYUVQKFIIHEMK-UHFFFAOYSA-N 372.432 3.067 30 50 FGEA N#CCCCS(=O)(=O)N1CC=C(c2cccc(OC(F)(F)F)c2)CC1 888090938 KQILSIIYLGUYEZ-UHFFFAOYSA-N 374.384 3.308 30 50 FGEA C[C@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 170594721 IEKBOLPFKRBKGK-CQSZACIVSA-N 355.388 3.355 30 50 FGEA C=C(C)CNC(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12750632 ZTDQMKAVONOHMI-NRFANRHFSA-N 369.553 3.098 30 50 FGEA CC(C)(C)NS(=O)(=O)C1(CNc2cc(Cl)ccc2C#N)CCC1 2325861714 YRMMBKQHNCTVGH-UHFFFAOYSA-N 355.891 3.264 30 50 FGEA CN(CC(F)F)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 120645324 XMNLBBAKFWFCHY-UHFFFAOYSA-N 369.422 3.431 30 50 FGEA COc1ccc(/C(C)=N\N2CCN(c3ccccc3OC)CC2)cc1OC 5024742 HPKXLCSLBUCZBH-JWGURIENSA-N 369.465 3.259 30 50 FGEA NS(=O)(=O)c1ccc(N/C=C\C(=O)c2ccc3ccccc3c2)cc1 4456851 GZJBVAQVFHTCAD-QXMHVHEDSA-N 352.415 3.296 30 50 FGEA aggregator COc1cc(C#N)ccc1OC[C@H]1CCCN(Cc2nncn2C(C)C)C1 1875246646 DMIVAYSKGVSETD-KRWDZBQOSA-N 369.469 3.030 30 50 FGEA O=C1CN(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)N1O 1231910 BBAWQVHNGZIMED-OAHLLOKOSA-N 351.189 3.366 30 50 FGEA COc1cncc(C(=O)OCC#Cc2ccc(Oc3ccccc3)cc2)n1 2325742623 SQQSOCKGDVWDLF-UHFFFAOYSA-N 360.369 3.486 30 50 FGEA CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cc(Cl)n1 216705555 SRQHKISTOLIJFW-UHFFFAOYSA-N 354.643 3.381 30 50 FGEA COC(=O)c1cccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)c1 133007851 FRVKLWXOLCZAFZ-FMQUCBEESA-N 353.447 3.412 30 50 FGEA Cc1cc(C#N)c(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)nc1C 92028992 TVDRJUKDGHXYAJ-UHFFFAOYSA-N 352.482 3.189 30 50 FGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(CCn2cc(Cl)cn2)C1 1875245762 PJKCFIPBLAEURG-INIZCTEOSA-N 374.872 3.208 30 50 FGEA COc1cc(-c2nc(CN=c3cc(C)c(C#N)c(C)[nH]3)c(C)o2)ccc1O 2356133924 MUCHCMACDOAYQF-UHFFFAOYSA-N 364.405 3.282 30 50 FGEA O/C(=N/[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCN(c2ncccn2)CC1 328609429 MTJPNAKTLHIWBV-VQTJNVASSA-N 373.460 3.222 30 50 FGEA COc1ccc(C(=O)[C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1OC 71759104 WDODGZWHOQEXCR-OAHLLOKOSA-N 351.406 3.070 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91635802 OMSOLSLZXPNYEQ-LJQANCHMSA-N 371.444 3.218 30 50 FGEA CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)[C@H]1c1nccn1Cc1ccccc1 952890628 FNYPFAXLAFWDMQ-SFHVURJKSA-N 359.433 3.354 30 50 FGEA C#CCCC1(CCNC(=O)c2cc3c(C(F)F)nn(C)c3s2)N=N1 1875381449 VOIPSNHLWHFAHY-UHFFFAOYSA-N 351.382 3.268 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1OC 19731696 VWAGPYNNBWXXGR-LJQANCHMSA-N 371.433 3.235 30 50 FGEA CCCCCc1nc(-c2cc(C#N)c(O)nc2C)n([C@@H]2CCCC[C@H]2O)n1 2356169742 XYWZSFDIQRIIFB-IAGOWNOFSA-N 369.469 3.435 30 50 FGEA C=C(Cl)COc1nc2cc(F)ccc2cc1CNCCn1ccnc1 64151990 IJAAFTQRRSONQO-UHFFFAOYSA-N 360.820 3.492 30 50 FGEA COc1cc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 1422962 YXGDGRUNZNIRKR-LBPRGKRZSA-N 360.406 3.386 30 50 FGEA Cc1cc(N2CC[C@H](CN(C)Cc3scnc3C)C2)c(C#N)c(C)n1 328627089 FUVJNXKXDNUPAY-MRXNPFEDSA-N 355.511 3.293 30 50 FGEA Cc1nnccc1N=C(O)N1CCC(n2c(C)nc3ccccc32)CC1 330356969 SHLQIIJVXNLCCD-UHFFFAOYSA-N 350.426 3.326 30 50 FGEA C#CCOc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)ccc1OC 217627295 DCBRVMZFGJJQJD-OAHLLOKOSA-N 366.369 3.056 30 50 FGEA biogenic C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3cc(N)ccn3)cc2)C[C@H]1C 426580937 HBNXCFGIWJJYHS-HZPDHXFCSA-N 350.466 3.052 30 50 FGEA CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 13468306 IWUOMZGADMZCHQ-XDJHFCHBSA-N 366.826 3.102 30 50 FGEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 19883313 GANUJDLPJZTXPS-INIZCTEOSA-N 374.824 3.073 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)N=N1 2325886116 SCTHOHKFMXKHGB-INIZCTEOSA-N 362.437 3.491 30 50 FGEA C=CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OCC 2984084 SWFTUESBCPTEMT-XSFVSMFZSA-N 374.462 3.271 30 50 FGEA N#Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(F)c1 4741145 KKMNMPVFCXMVME-UHFFFAOYSA-N 359.788 3.440 30 50 FGEA Cc1cccc2cc(CN3CCN(Cc4ccccc4C#N)CC3)c(=O)[nH]c12 67473515 ZAPSHPPDCFGIIQ-UHFFFAOYSA-N 372.472 3.026 30 50 FGEA CCCn1ncnc1[C@@H](C)NC(=O)c1cccc(-c2ccc(C#N)nc2)c1 534663272 PHVMWGQZDZGXLS-CQSZACIVSA-N 360.421 3.113 30 50 FGEA C/C(O)=N/c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 5826247 QRRZWQODIIZPLL-UHFFFAOYSA-N 368.798 3.447 30 50 FGEA C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1ccco1 12343838 GEKDRDHNGSAMLF-DHXXWJELSA-N 357.410 3.481 30 50 FGEA Cc1oc2ccccc2c1C/N=C(/O)N1CC(C)(C)O[C@@]2(CCOC2)C1 329971631 VPYKPISILJICCO-FQEVSTJZSA-N 358.438 3.425 30 50 FGEA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ccc(C#N)cc12 2529482 GBOOCFGIBQXYKK-UHFFFAOYSA-N 363.329 3.127 30 50 FGEA C=CCOc1cccc(C(=O)NCCN2Cc3ccccc3O[C@H](C)C2)c1 12041709 LFOBZCUZNRZRPM-QGZVFWFLSA-N 366.461 3.264 30 50 FGEA CC(C)c1nccn1CCC(O)=Nc1cccc(CN2CC[C@@H](O)C2)c1 328596296 DDTMUAJFJSBABB-GOSISDBHSA-N 356.470 3.251 30 50 FGEA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cnc(O)c(C#N)c3C)C2)c1 72447836 CTRUNEFUVYCYET-MRXNPFEDSA-N 365.433 3.207 30 50 FGEA N#CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2576805 IYSKJCGILKSAFL-SFHVURJKSA-N 350.374 3.282 30 50 FGEA N#Cc1c(N)nc2c(c1-c1cnc(-c3ccccc3)nc1)N1CCC2CC1 101740604 MTBQQPDYYIGMLQ-UHFFFAOYSA-N 354.417 3.357 30 50 FGEA C=C(C)C(C)(C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72169180 NOBTYVOTFKVRBH-UHFFFAOYSA-N 365.481 3.092 30 50 FGEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc([N+](=O)[O-])c1 5704412 KOPUVTMBPXIQQP-LICLKQGHSA-N 355.379 3.407 30 50 FGEA Cc1cc(C(C)(C)C)cc(C)c1CSc1nc(=O)n2ncc(C#N)c2[nH]1 2325863291 CSWGVWNZRUJYFP-UHFFFAOYSA-N 367.478 3.496 30 50 FGEA COc1cc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)ccc1O 780585 UFBVOGXIFDAWPM-UHFFFAOYSA-N 355.357 3.194 30 50 FGEA C=CCS(=O)(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 20998627 PXAGJFDVIVPLEJ-ZDUSSCGKSA-N 361.385 3.116 30 50 FGEA COc1ccc(-c2noc(COc3ccc(C#N)cc3)n2)c(OC)c1OC 71738771 BOMQAODMRMAYDF-UHFFFAOYSA-N 367.361 3.213 30 50 FGEA Cc1nn(-c2ccccc2)c(O)c1/C=N/Nc1nncc(-c2ccccc2)n1 5014631 TXLUASDFBCLQSP-CIAFOILYSA-N 371.404 3.184 30 50 FGEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 19928009 ISCIZDRRRGSCFC-MRXNPFEDSA-N 374.437 3.027 30 50 FGEA C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 1049470 KXEPHDSNKOJKIT-QGZVFWFLSA-N 362.341 3.432 30 50 FGEA CC(=NN1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 1149681 ALTLBBCOGCPYEO-UHFFFAOYSA-N 359.271 3.390 30 50 FGEA CCN1CCC(CCNC(=O)N2CCC(C#N)(c3ccccc3)CC2)CC1 426388202 UKXCYTBMAGVHFB-UHFFFAOYSA-N 368.525 3.375 30 50 FGEA Cc1nsc(N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c1C#N 328992856 SVCXZYLWLIKIFF-SNVBAGLBSA-N 355.389 3.460 30 50 FGEA Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1[N+](=O)[O-] 1069101 LNYQUYPXZBOLJO-NSHDSACASA-N 373.438 3.420 30 50 FGEA CCOC(=O)c1csc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1 170007141 ZMSNDRMHSFJUTG-UHFFFAOYSA-N 359.256 3.286 30 50 FGEA CCn1ccc2ccc(-c3cc(-c4cc(C(=O)O)[nH]n4)nc(N)c3C#N)cc21 72167096 NRCZYYMSURYZNR-UHFFFAOYSA-N 372.388 3.265 30 50 FGEA N#C[C@@H]1CCCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)C1 426490733 QXFFTFFIFFVHST-FQEVSTJZSA-N 354.498 3.234 30 50 FGEA C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 981397 SYBGWHMIGLTFSS-XYOKQWHBSA-N 352.209 3.127 30 50 FGEA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)c2sccc2C#N)CC1 328653423 WVYHBEFSDPJZJX-KRWDZBQOSA-N 354.479 3.141 30 50 FGEA COc1ccc(OC)c(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 791103 VQYBBGCBVVUDST-UHFFFAOYSA-N 367.430 3.030 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1F 6786057 LAFVXCLBKULGFF-MRXNPFEDSA-N 359.353 3.034 30 50 FGEA C=CCN(CC=C)Cc1c(C(=O)N2CCCCC2)nc2c(C)cccn12 20327319 CFBOHCAAGJNUPJ-UHFFFAOYSA-N 352.482 3.443 30 50 FGEA CC(C)=CC/N=C(/O)c1cnn2c1C[C@H](C/N=C(/O)c1cccnc1)CC2 328608304 YPXFULLAPUEXNH-OAHLLOKOSA-N 367.453 3.116 30 50 FGEA CN(C)Cc1cc(-c2c(C#N)c(N)nc3c2Cc2ccc(O)cc2-3)ccc1O 71747890 WNYOSMDHPJCGDA-UHFFFAOYSA-N 372.428 3.246 30 50 FGEA Fc1cnc(NN=Cc2ccc(Cl)cc2Cl)nc1N1CCOCC1 244872909 WGVBVSAOXGRIKD-UHFFFAOYSA-N 370.215 3.205 30 50 FGEA CCc1nnc(N2CCN([C@H](C)c3ccsc3)CC2)c(C#N)c1CC 185484748 KNKHFCICBKHFPF-CQSZACIVSA-N 355.511 3.418 30 50 FGEA COc1ccc2c(c1)CC/C2=N/OC(=O)c1cc(OC)c(OC)c(OC)c1 5060587 PNNANHJATNSSLZ-PGMHBOJBSA-N 371.389 3.228 30 50 FGEA CC(C)OC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 19595465 ITVDYLHXQXSRMF-UHFFFAOYSA-N 358.448 3.179 30 50 FGEA CCOc1cc(C#N)c(NC(=O)c2ccc3c(c2)OCO3)cc1OCC 1080181 RUCKFNOOSAJCOS-UHFFFAOYSA-N 354.362 3.337 30 50 FGEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC(F)(F)F 170004476 LSLYULZWVCURCK-UHFFFAOYSA-N 360.137 3.061 30 50 FGEA Cc1cc([C@@H]2CCCN2/C(O)=N/CC2CCN(c3ccncc3)CC2)on1 329139414 IVXOLJIZNHLRHO-SFHVURJKSA-N 369.469 3.346 30 50 FGEA C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC(C)(C)OC(C)(C)C1 190526337 OXRODUKTOZGILE-LBPRGKRZSA-N 361.511 3.325 30 50 FGEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 19883315 GANUJDLPJZTXPS-MRXNPFEDSA-N 374.824 3.073 30 50 FGEA C=CCOC(=O)COc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2993393 PSLZBUAGQHDSHD-UHFFFAOYSA-N 354.358 3.371 30 50 FGEA C=C(C)COc1cccc(C(=O)NCCc2cn3nc(C)sc3n2)c1 55414458 RMSXOEJEWGGDID-UHFFFAOYSA-N 356.451 3.027 30 50 FGEA Cn1nc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)c2c(Cl)cccc21 71775660 SFFKCDDXDMPREJ-JOYOIKCWSA-N 364.840 3.092 30 50 FGEA CCc1cc(C#N)ccc1NC(=O)N1CCCN(C(=O)c2ccco2)CC1 95515314 QXMZEEQLORFQQN-UHFFFAOYSA-N 366.421 3.094 30 50 FGEA C=C(C)COc1cc(CN[C@H]2CCO[C@@H]2c2nccn2C)ccc1OC 275546190 MYXGICPFIVBYDW-LPHOPBHVSA-N 357.454 3.003 30 50 FGEA COc1ccc(C(=O)C[n+]2c(N)n(Cc3ccccc3)c3ccccc32)cc1 5329933 HUDHOKFAZUMLQW-UHFFFAOYSA-O 372.448 3.451 30 50 FGEA CCOc1cc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)ccc1O 5791078 SBUMXOSEYHJYRI-VXLYETTFSA-N 358.398 3.359 30 50 FGEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 19883864 NNJLXGCNPWLCKM-KRWDZBQOSA-N 370.474 3.278 30 50 FGEA CC[C@H](C)Oc1cc(/C(O)=N/C(C)(C)c2cc(C(=O)OC)on2)ccn1 328594133 SZXMIXLTZLTYBD-NSHDSACASA-N 361.398 3.273 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccccc2OCCn2ccnc2)N=N1 2325892638 VDPYHXWOEPPGSD-UHFFFAOYSA-N 351.410 3.256 30 50 FGEA Oc1ccc(Br)cc1/C=N/Nc1ncc(Br)cn1 4947049 OHIPGRRVNFGRGV-AYSLTRBKSA-N 372.020 3.153 30 50 FGEA Cc1c(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc(C#N)n1C 72474002 OLZJSMJGDBKAOF-UHFFFAOYSA-N 352.526 3.292 30 50 FGEA CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@H](c1ccc(OC)cc1)O2 229973475 GTRWMWKCKQQGHI-LAKGBWAGSA-N 350.378 3.060 30 50 FGEA Cc1cc(C#N)cnc1N1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)C1 1875405543 JHCBPTDFFNKXNU-QRKSXFBESA-N 352.482 3.029 30 50 FGEA CC(C)(C)c1cnc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 332164558 RHNBFRLFIODOIF-UHFFFAOYSA-N 370.482 3.061 30 50 FGEA CCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 225734905 NGPACDAJKGTRRO-UHFFFAOYSA-N 353.426 3.062 30 50 FGEA C=CCN(Cc1ccsc1)C(=O)CN1CCN(c2cccc(C)c2)CC1 1506427513 JTLAXGRVHYQZEO-UHFFFAOYSA-N 369.534 3.393 30 50 FGEA Cc1nnc(/N=C(\O)CN2CCN(c3cc(Cl)ccc3C)CC2)s1 20395580 KXAYATONMBBQTE-UHFFFAOYSA-N 365.890 3.219 30 50 FGEA C#CCN1C(=O)[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 1075776 CODKUMQYQDGZET-HSZRJFAPSA-N 361.441 3.361 30 50 FGEA C=CCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2ccncc2)s1 1115066 JWBIDZCLDJWIQC-UHFFFAOYSA-N 352.419 3.442 30 50 FGEA Cc1cc(/C(O)=N/C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1 329864667 SSZFKFZEBAGUAY-UHFFFAOYSA-N 365.359 3.172 30 50 FGEA CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(C)nn1 1875259012 YATLRPGOXFNVEQ-UHFFFAOYSA-N 367.428 3.065 30 50 FGEA O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccnc1)n1ncnc1N2 5371777 SUSQKKGZOLAXTG-IFXJQAMLSA-N 361.380 3.228 30 50 FGEA C#CCCC1(CCC(=O)Nc2c(C)nn(C)c2Oc2cccnc2)N=N1 2325886318 KIMYZGXVJXHOGM-UHFFFAOYSA-N 352.398 3.210 30 50 FGEA C=CCN1CCN(C(=O)c2cccc(-c3cc(C)nc(CCC)n3)c2)CC1 426370673 VAAFHLZNEICKEN-UHFFFAOYSA-N 364.493 3.348 30 50 FGEA C=CC[C@]1(C(=O)O)CCCN(Cc2cc(Cl)ccc2OCC(=O)O)C1 91625901 FOSQMQCPFTWZDO-SFHVURJKSA-N 367.829 3.046 30 50 FGEA C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O 4392967 MPYLDWFDPHRTEG-PAAYLBSLSA-N 360.498 3.109 30 50 FGEA investigational CCc1n[nH]c(=S)n1/N=C/c1cc(Br)c(OC)cc1OC 5576556 OWZRLLMPBDDLLW-VIZOYTHASA-N 371.260 3.165 30 50 FGEA CCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 17085243 JTBIQXHXVAPUNR-XOMICKMZSA-N 353.447 3.349 30 50 FGEA Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccnc2)cc1 18240729 YXDRGWOHEHDGDY-OXQOHEQNSA-N 357.417 3.397 30 50 FGEA COC(=O)c1c(-c2ccccc2)noc1/C(=C/N(C)C)C(=O)C(F)(F)F 3047602 BVQPPKSVPILIGE-LUAWRHEFSA-N 368.311 3.162 30 50 FGEA C=CCn1cc([C@H]2c3nc[nH]c3CCN2Cc2ccc(O)cc2Cl)cn1 72426839 QDAGVBAMTWYIHR-IBGZPJMESA-N 369.856 3.299 30 50 FGEA Cc1c([C@@H]2CC2(C)C)nc(N)c(C#N)c1-c1ccc(S(C)(=O)=O)cc1 71735890 ZZFRKFJRZFEDMB-HNNXBMFYSA-N 355.463 3.428 30 50 FGEA COC(=O)c1ccc(/C=N/N=C(/Nc2ccccn2)c2ccccn2)cc1 3033485 ZPEUINHJXMFBRA-OEAKJJBVSA-N 359.389 3.156 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCCC(C)C)C2 14748294 DONSMICPCMOCNG-QGZVFWFLSA-N 358.530 3.188 30 50 FGEA N#Cc1ccc(N2CCC[C@H](N3CCC(Cc4cccnc4)CC3)C2=O)cc1 329461073 SLCDUKTWVYYYSO-QFIPXVFZSA-N 374.488 3.403 30 50 FGEA COc1ccc(C#N)cc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 377592443 OANWCQAXPDFXPF-OAQYLSRUSA-N 354.425 3.133 30 50 FGEA COc1ccc(C(=O)[C@@H]2CCCN(c3cccc(C#N)n3)C2)c(OC)c1 71415689 MDEWLLIUCUTCOZ-CQSZACIVSA-N 351.406 3.070 30 50 FGEA COc1ccc(-c2cc[n+](CC(=O)Nc3ccccc3C)cn2)cc1OC 19800361 MNMVDDAIPBFUBH-UHFFFAOYSA-O 364.425 3.000 30 50 FGEA CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccs1 20057729 QLERKHBATZMBJV-INIZCTEOSA-N 374.462 3.261 30 50 FGEA O=C(N1CCCC1)N1CCC[C@H](/C(O)=N/Cc2ccc3c(c2)COC3)C1 330339590 WVIXOUXOYMJFHK-INIZCTEOSA-N 357.454 3.101 30 50 FGEA Cc1cccc(N2CCC(NC(=O)c3ccc(C#CC(C)(C)O)o3)CC2)c1 215995551 LFPFQCQHAOVTCR-UHFFFAOYSA-N 366.461 3.109 30 50 FGEA CC1=C[C@@H](S(=O)(=O)c2ccccc2)[C@H](COc2ccccc2)CC1=O 71786006 HPPKYPNLGRGFRL-OXJNMPFZSA-N 356.443 3.443 30 50 FGEA CCc1sc(/N=C(\O)CN2CCC(C(N)=O)CC2)nc1-c1ccccc1 49947056 FWWHCKQFYZVGHV-UHFFFAOYSA-N 372.494 3.158 30 50 FGEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(O)cc1 97402255 QJVZBILKASKEGL-UHFFFAOYSA-N 369.417 3.085 30 50 FGEA COc1ccccc1C1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)CC1 952979532 HGNQLWNAMJPJEH-UHFFFAOYSA-N 367.445 3.430 30 50 FGEA COc1ccc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 12343312 NYVDHOABEZYUIU-LICLKQGHSA-N 360.326 3.356 30 50 FGEA CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1209542 VHRSAVKLYGMZOY-GOSISDBHSA-N 366.373 3.122 30 50 FGEA Sc1nnc(-c2cccnc2)n1/N=C/c1ccccc1Br 1241826 HKYQWBJOTSXWIV-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA CC(C)(O)C#Cc1cc(OC(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 170004990 KOXOLPYAHQLFNF-UHFFFAOYSA-N 370.176 3.007 30 50 FGEA COc1cc(C#N)ccc1S(=O)(=O)N[C@@]1(C)CCCc2ccccc21 332400042 XVDJTPSHAIXRFY-IBGZPJMESA-N 356.447 3.097 30 50 FGEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ncccn3)CC2)c1 1071373 JURKGGZWCSPDHK-UHFFFAOYSA-N 365.481 3.277 30 50 FGEA N#Cc1cccnc1NCCOC(=O)c1ccc(CN2CCCCC2)cc1 225560966 CDHXMLLXGRGGLR-UHFFFAOYSA-N 364.449 3.208 30 50 FGEA N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91289356 FRDKLEIGNNYTCF-LAUBAEHRSA-N 371.484 3.262 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N1CCCCCC1)C2 14532163 KWFVPZDRBWQJRD-SFHVURJKSA-N 370.541 3.429 30 50 FGEA O=[N+]([O-])c1ccc(/C(O)=N/c2nc3nccc(-c4ccccc4)n3n2)cc1 1299450 SKOWKBLVRAAEFX-UHFFFAOYSA-N 360.333 3.336 30 50 FGEA CN(C)c1ccc(/N=N/c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1 64625042 IBOVDNBDQHYNJI-QZQOTICOSA-N 366.377 3.389 30 50 FGEA in-vitro C=CCc1cc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)ccc1OC 82137027 OQJJYDITLUTGFF-UHFFFAOYSA-N 364.445 3.221 30 50 FGEA C=CCc1cc(C(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)ccc1OC 299775931 MICCDJATFFYQAJ-HFSMHLIXSA-N 359.466 3.222 30 50 FGEA CN1CCO[C@@H](/C(O)=N/Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 329843062 KSWOKCDDQWTDHL-OAQYLSRUSA-N 366.461 3.466 30 50 FGEA C=CCNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1nc(CCc2ccccc2)n[nH]1 102789737 YTDHTFHSQXZBFM-DKKFBQAASA-N 350.466 3.022 30 50 FGEA C=CCS[C@H](C)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67774501 OKGMLTCZGLWWJB-CQSZACIVSA-N 370.474 3.483 30 50 FGEA CS(=O)(=O)c1c(F)cc(N=C(O)[C@H]2C[C@@H]2c2cccnc2)cc1F 328590453 CNDFLDUSXNNHCV-NEPJUHHUSA-N 352.362 3.155 30 50 FGEA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccccc3C#N)CC2)OC1=O 77379410 TZJHKISTODVOSM-OAHLLOKOSA-N 355.438 3.174 30 50 FGEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(O)=Nc1cccnc1 328616424 BQQLGSYHAUJWMO-LLVKDONJSA-N 353.348 3.037 30 50 FGEA C#CCCC1(CCNC(=O)C2CCN(c3nc4ccccc4o3)CC2)N=N1 2325887346 ILGQOTOMYKCJIB-UHFFFAOYSA-N 365.437 3.126 30 50 FGEA CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@H]2c1ccccc1[N+](=O)[O-] 102196509 NMJRZKDDYFGDRA-IAQYHMDHSA-N 355.419 3.392 30 50 FGEA C=CCc1c(C)nc(Nc2nc(C)c3cccc(OCC)c3n2)[nH]c1=O 9288062 CFYGZUCGKBPHDM-UHFFFAOYSA-N 351.410 3.201 30 50 FGEA CC(C)[C@@H]1CN(c2cccc(C#N)n2)CCC(=O)N1Cc1ccc(F)cc1 71479465 IILKAAPBTFOIFV-IBGZPJMESA-N 366.440 3.356 30 50 FGEA C=CCOc1ccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc1 820494495 GUCXLQUTRFMPGQ-UHFFFAOYSA-N 355.467 3.227 30 50 FGEA Oc1ccc(/C=N/N=c2/[nH]c(-c3ccc4c(c3)OCCO4)cs2)cc1 17155388 PIMHYQQNDXGEOK-VXLYETTFSA-N 353.403 3.155 30 50 FGEA O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccnc1)n1ncnc1N2 5371824 SUSQKKGZOLAXTG-KUHUBIRLSA-N 361.380 3.228 30 50 FGEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 2325807032 VOFGGOKTVTWCAE-XMSQKQJNSA-N 372.509 3.023 30 50 FGEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2c2ccc(C(=O)O)n2C)N=N1 2325885782 SKDXTSWMNFLMJP-OAHLLOKOSA-N 356.426 3.133 30 50 FGEA CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccc(F)cc3)[C@@]12C#N 103021028 JHXWOSNCSXBZOP-VNQPRFMTSA-N 360.483 3.474 30 50 FGEA COc1cc(C(=O)N(C(C)C)C(C)C)ccc1B1OC(C)(C)C(C)(C)O1 170004263 AYCIUDWWTUFVJC-UHFFFAOYSA-N 361.291 3.253 30 50 FGEA Cc1sc(NC(=O)CN2CCC[C@@H](c3ccncc3)C2)c(C#N)c1C 289315930 JPNPRJPTZBNSMM-MRXNPFEDSA-N 354.479 3.450 30 50 FGEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 981595 OBMQFBNARAQECJ-MHWRWJLKSA-N 351.431 3.467 30 50 FGEA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccc(C#N)cc1)CC2 1857667790 MRORRXJAEWSVSP-UHFFFAOYSA-N 356.429 3.200 30 50 FGEA C=CCc1cccc2cc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)oc12 887167 ZDAPHRKJXXNVGX-UHFFFAOYSA-N 374.440 3.484 30 50 FGEA N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N)n3)cc2)cc1 40955326 ZESFDAKNYJQYKO-UHFFFAOYSA-N 350.403 3.003 30 50 FGEA in-vitro C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCc3ccccc31)CC2 91410161 HJXRGNSQXVJCSR-LJQANCHMSA-N 352.478 3.134 30 50 FGEA N#CC1(c2ccccc2)CCN(C(=O)c2cnc(-c3ccncc3)nc2)CC1 95360864 SSWVJHDYLJMNPX-UHFFFAOYSA-N 369.428 3.236 30 50 FGEA N#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)c(F)c1 299801308 ZBRVGQPZBAJZSB-INIZCTEOSA-N 368.412 3.189 30 50 FGEA C#CCCC1(CCC(=O)N2C[C@@H](C(=O)O)C[C@H](c3ccccc3)C2)N=N1 952876766 WHOSNCMWWBHMMB-IRXDYDNUSA-N 353.422 3.059 30 50 FGEA C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)OCC)SC1=S 15016432 IKFCWZMFTQZNPL-UVTDQMKNSA-N 363.460 3.016 30 50 FGEA S[C@H](COCc1ccccc1)CN1CCN(Cc2ccccc2)CC1 19790672 CTQGNRHHJNRIOL-NRFANRHFSA-N 356.535 3.319 30 50 FGEA C=CCOc1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1 2987232 BVQPDLMOGQIIMQ-LDADJPATSA-N 350.827 3.217 30 50 FGEA Cc1noc(C)c1C/C(O)=N/[C@H](c1nc(C(C)C)no1)C1CCOCC1 328615142 XUQGVGGXCMOITJ-INIZCTEOSA-N 362.430 3.465 30 50 FGEA FC(F)(F)Oc1cccc(C#CCN2C[C@@H]3C[C@H]2CN3C2CCC2)c1 2325803820 DMTMSSUVDVJTQQ-IRXDYDNUSA-N 350.384 3.248 30 50 FGEA C=CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OCC(C)C)cc1 4755642 YAQWOJMFZNTTKF-UYRXBGFRSA-N 368.433 3.388 30 50 FGEA C=CCN(C(=O)Nc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101142027 AMZDRQXTDIGOJY-QGZVFWFLSA-N 367.380 3.178 30 50 FGEA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)c1 284474875 FAOMFMHDYGXWRU-ZACQAIPSSA-N 354.372 3.333 30 50 FGEA CCc1cc(C#N)ccc1NC(=O)N1CCN(c2cc(C)nc(C)c2)CC1 95520182 NGGLXTGAQJOESQ-UHFFFAOYSA-N 363.465 3.487 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(F)c1 2486170 IMGKXJYBYVQWJX-MRXNPFEDSA-N 360.410 3.205 30 50 FGEA CC(C)CN(CC#Cc1ccccc1)C(=O)c1cccc(-n2cnnc2)c1 55369899 XIOJDKJMFIHLDQ-UHFFFAOYSA-N 358.445 3.417 30 50 FGEA Cc1ccccc1-n1cc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)cn1 71746105 OMGAYJQZOOAMAF-UHFFFAOYSA-N 355.405 3.097 30 50 FGEA COc1ccc([C@@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 138487988 ZPXPMXLZTDRJBW-WOUAJJJCSA-N 362.389 3.204 30 50 FGEA COC(=O)C[C@](C)(NCCOc1cccc(C#N)c1)c1cccc(OC)c1 225571480 JYLAGCYSFCUQKC-NRFANRHFSA-N 368.433 3.014 30 50 FGEA C=CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(OC)cc32)c2ccccc21 20064237 LGNJYJYJUSFWOD-JOCHJYFZSA-N 359.429 3.098 30 50 FGEA biogenic Cc1c([C@H]2OCC[C@@H]2/C(O)=N/[C@H](C)c2ccc3c(c2)OCO3)cnn1C 328608652 AVYZDCZQORUDHS-VZSAFFHGSA-N 357.410 3.253 30 50 FGEA CCOC(=O)c1cn(Cc2coc(-c3cccc(Cl)c3)n2)nc1C#N 1875347179 JTUZZPUXCGVNSA-UHFFFAOYSA-N 356.769 3.288 30 50 FGEA N#Cc1ccccc1C(=O)N(CCOc1ccccc1)C[C@@H]1CCCO1 952967179 YJLNJIDDLKEXLC-IBGZPJMESA-N 350.418 3.258 30 50 FGEA Cc1cnc2c(c1)c(B1OC(C)(C)C(C)(C)O1)cn2C(=O)OC(C)(C)C 1772572683 YSJUORLQZULUHR-UHFFFAOYSA-N 358.247 3.427 30 50 FGEA C=CCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2nnc(C)s2)c1 12459671 UCLSJSVQUWLIFB-INIZCTEOSA-N 370.478 3.409 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OC 19792639 GNSJPWSCPXHEJT-SFHVURJKSA-N 361.397 3.437 30 50 FGEA N/C(=N\OC(=O)c1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1 4978746 ZCKIRYYPWFCYST-UHFFFAOYSA-N 354.149 3.379 30 50 FGEA COc1cc(CNC(=O)Nc2cccc(Cn3ccnc3)c2)ccc1C#N 2325735283 FYJIDDKFTBHYIT-UHFFFAOYSA-N 361.405 3.133 30 50 FGEA OC1=NCC2(CCN(/C(O)=N/Cc3nc(C(F)(F)F)cs3)CC2)C1 329623739 ADYWJYUPCBGQFS-UHFFFAOYSA-N 362.377 3.018 30 50 FGEA C=C(C/N=C(/O)N1CCN(C(C)=O)C2(CCCCC2)C1)c1ccccc1 329689194 BDEWJXGBARKUSV-UHFFFAOYSA-N 355.482 3.481 30 50 FGEA COc1cccc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)c1 172674320 CZALLPGKWHVXMW-UHFFFAOYSA-N 370.474 3.444 30 50 FGEA CC#CC(=O)NCC1(c2ccccc2)CC2(CN(C(=O)OC(C)(C)C)C2)C1 1875370505 RJRUACINYSWBJM-UHFFFAOYSA-N 368.477 3.095 30 50 FGEA C#C[C@H](NC(=O)Nc1cccc2c1ccc(=O)n2C)[C@H]1CCc2ccccc21 1875341559 XQZFVEOHEAKGQA-HKUYNNGSSA-N 371.440 3.392 30 50 FGEA C=CCOc1ccc(C(=O)N(Cc2cnn(C)c2)C2CC2)cc1OCC 55041964 WQYBXLVXFFKJGP-UHFFFAOYSA-N 355.438 3.188 30 50 FGEA CC/N=C(\NCC)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 100510358 ODYCQAHPTXKEOT-LBPRGKRZSA-N 374.293 3.344 30 50 FGEA CN(C)CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]21C 253595358 CKHSOFXTVRKHKX-WDVPHTIESA-N 357.538 3.216 30 50 FGEA C=CCOc1ccc(CN2CCC(c3cc(=O)[nH]cn3)CC2)cc1CC=C 32561810 PTWXKAGWVGBQFX-UHFFFAOYSA-N 365.477 3.443 30 50 FGEA C=CC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C3CCCC3)cc1O2 1875394339 FZORYJUOVPGFCF-MRXNPFEDSA-N 373.497 3.388 30 50 FGEA COc1cc(/C=N/NC(=S)Nc2cccc(C)c2)cc(OC)c1OC 731247 IUOWECZPBYDSNS-YBFXNURJSA-N 359.451 3.341 30 50 FGEA CCN(CC)c1ccc(/C=N/n2c(S)nnc2-c2cccnc2)c(O)c1 1254262 SXZIFCGNKBGLAE-UDWIEESQSA-N 368.466 3.063 30 50 FGEA COc1ccc(OC)c(/C=C/C(=O)c2c(Br)cnn2C)c1 6925454 SBYNYTQQOZXOOT-GQCTYLIASA-N 351.200 3.096 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 91665640 YOIKLNZJJMIVNF-GOSISDBHSA-N 358.449 3.286 30 50 FGEA N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C1=COCCC1 170645585 LLPAIGSPUXRYLA-CYBMUJFWSA-N 352.362 3.343 30 50 FGEA COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 1100797 VPLHVFLEDWSSFK-FYJGNVAPSA-N 351.406 3.252 30 50 FGEA O=[N+]([O-])c1cccc(/C(O)=N/c2nc3nccc(-c4ccccc4)n3n2)c1 1140380 DHAPWDVALVBZAN-UHFFFAOYSA-N 360.333 3.336 30 50 FGEA N#Cc1c(Cl)cccc1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818145202 MAOQNBKBHWKVEZ-SFHVURJKSA-N 358.829 3.046 30 50 FGEA CN(C)CCc1nc([C@@H]2CCC(C)(C)CO2)n(-c2cccc(C#N)c2)n1 2325849262 JSSKWCGXNCUQFB-KRWDZBQOSA-N 353.470 3.121 30 50 FGEA CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 2217775 NXJRSXJZJFMJPG-UHFFFAOYSA-N 352.504 3.457 30 50 FGEA C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)NC(C)(C)C 6697979 FUBIEIGKKBDDDC-UHFFFAOYSA-N 374.441 3.250 30 50 FGEA C=CCN1C(=O)/C(=C/c2cc3cc(OCC)ccc3[nH]c2=O)SC1=S 9042674 BGCMOGPOXYLBEQ-GDNBJRDFSA-N 372.471 3.314 30 50 FGEA COc1ccccc1[C@H]1CN(c2ccc(C#N)cn2)[C@@H]2C3CCN(CC3)[C@H]12 72146963 PGTAZGWXIHAQOA-STZQEDGTSA-N 360.461 3.028 30 50 FGEA Cc1ccc(CN2CCc3[nH]cnc3[C@H]2c2ccc(C#CCO)cc2)s1 72410717 RZCZKLQXFZGLKN-OAQYLSRUSA-N 363.486 3.271 30 50 FGEA Cn1c([C@@H]2CCCN(Cc3cc(C#CCO)cs3)C2)nc2ccccc21 828644601 KGBOVQTWVUDWEV-QGZVFWFLSA-N 365.502 3.358 30 50 FGEA C=CCOc1c(Cl)cc(/C=C2\NC(=S)N(CC)C2=O)cc1OCC 3462640 DGXKVSXATCUSBO-LCYFTJDESA-N 366.870 3.381 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1)c1ccco1 795086 XZODANIRGGLMDT-NHYWBVRUSA-N 359.403 3.098 30 50 FGEA N#C[C@H]1CC[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 424973203 XBJIWXFJUADYIE-GXFFZTMASA-N 359.227 3.261 30 50 FGEA C[C@H](Nc1ncc(I)cn1)c1ccc(C#N)cc1 127023756 IBWGHLINQBNDFT-VIFPVBQESA-N 350.163 3.126 30 50 FGEA C#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC 49050436 UIWZIDIJCUEOMT-PKNBQFBNSA-N 351.358 3.057 30 50 FGEA in-vivo C=C(C)CN1CCC(Nc2nn3c(C(F)(F)F)nnc3c(C)c2C)CC1 301745509 OHMWSIDBEJUZIX-UHFFFAOYSA-N 368.407 3.212 30 50 FGEA Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)o1 19216321 LSMMYWOABPHMIX-GOSISDBHSA-N 368.433 3.118 30 50 FGEA COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(OC)ccc1O 3122951 BMYDPYFIJBSWEN-YPKZHZFPSA-N 352.390 3.085 30 50 FGEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 19831043 RRZCPCGOTZGOFJ-RDTXWAMCSA-N 373.474 3.438 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(=O)OC)cc1 626583 LCXJQXMTVMBGOK-SFHVURJKSA-N 369.417 3.004 30 50 FGEA C#CCN(Cc1ccccc1)C(=O)COc1ccc(NC(=O)CC)cc1 65532183 AKAQCAMATQRWHC-UHFFFAOYSA-N 350.418 3.076 30 50 FGEA CCc1nccn1[C@@H]1CCCN(/C(O)=N/[C@H]2COc3c(C)cccc3C2)C1 329646754 ZZSGQEXQGBLDQI-QZTJIDSGSA-N 368.481 3.309 30 50 FGEA N#Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)cn1 95506891 DDHMJGMPSCLUDB-UHFFFAOYSA-N 371.444 3.218 30 50 FGEA N#CCc1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 332463515 QARSEVBZLVLSQW-UHFFFAOYSA-N 373.254 3.189 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)O)N=N1 2325901008 QIKUNGQCQINWNK-LJQANCHMSA-N 353.422 3.031 30 50 FGEA CO[C@H](c1ccccc1)[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 225621662 LZIKESMCKJDGFR-KKSFZXQISA-N 350.466 3.288 30 50 FGEA COc1ccc2[nH]c3c(c2c1)CN(Cc1cc(C#CCO)cs1)CC3 67868045 PYNOKUSMBQLZTF-UHFFFAOYSA-N 352.459 3.140 30 50 FGEA COc1ccc(-n2cccn2)c(-c2cc(-c3ccccn3)nc(N)c2C#N)c1 67772916 YAUAXYWHXVTTSL-UHFFFAOYSA-N 368.400 3.459 30 50 FGEA N#Cc1ccc(CN2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)cc1 72422982 LPVKCFMFZNZLPN-UHFFFAOYSA-N 354.381 3.196 30 50 FGEA COc1cccc([C@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)c1 952980082 UEFMSASXORKRED-GOSISDBHSA-N 353.418 3.388 30 50 FGEA Cc1ccc(N=C(O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)cn1 328643873 ZAQUHLHTCSQLRN-OAHLLOKOSA-N 359.430 3.199 30 50 FGEA N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Cc1ccccc1 98213235 IPSPSTQMMQADNA-UHFFFAOYSA-N 355.444 3.406 30 50 FGEA COc1ccccc1-c1ccnc(C2CCN(CCOCCC#N)CC2)n1 952892135 KLSGUUHUIUNHIM-UHFFFAOYSA-N 366.465 3.262 30 50 FGEA O=C1N/C(=N/c2ccccn2)S[C@H]1Cc1ccc(Br)cc1 4030057 RKUZWACLXFMWTJ-LBPRGKRZSA-N 362.252 3.306 30 50 FGEA C#C[C@@H](NC(=O)[C@H]1OC(=O)c2ccccc21)c1ccc(Br)cc1 2325829588 NMEWBSAHSPZUEC-CVEARBPZSA-N 370.202 3.151 30 50 FGEA N#Cc1cccnc1SCC(=O)N1CCc2cc(Br)ccc21 9295526 XYTMZFKBLHVJFT-UHFFFAOYSA-N 374.263 3.397 30 50 FGEA CCCCCC(=O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 64859004 LOLJEILMPWPILA-JNRFBPFXSA-N 352.471 3.251 30 50 FGEA in-vitro CC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(-c3cccc(C#N)c3)c2)C1 426649807 XFGAWNHNDQWKKW-SFHVURJKSA-N 361.445 3.214 30 50 FGEA CC(=O)N1CCC[C@H](c2nnc(C3(c4cccc(C#N)c4)CC3)o2)[C@@H]1C 886084614 PDVTUCRRUWMZJJ-GUYCJALGSA-N 350.422 3.136 30 50 FGEA C=C(C)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 19770769 HETUHZIXJNDASD-IBGZPJMESA-N 363.505 3.349 30 50 FGEA O=C1C=C(c2ccccc2)C[C@@H](c2cccs2)[C@H]1n1nnc([N+](=O)[O-])n1 1079217 HRIMPJVBIURDQV-XJKSGUPXSA-N 367.390 3.024 30 50 FGEA CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O[C@H](C)C(=O)O 1177246 UIRYZYUGYZPXBC-GFCCVEGCSA-N 366.369 3.400 30 50 FGEA biogenic CCN(Cc1ccc(C#CC(C)(C)O)cc1)Cc1noc(CC(C)C)n1 55575698 DPZIXKKPCSBXMC-UHFFFAOYSA-N 355.482 3.413 30 50 FGEA CCOC(=O)[C@@H]1S[C@H](c2ccccc2)[C@@H](C#N)[C@]1(O)c1ccccc1 239439224 ZPRSFVJGPUMQRX-FTEYMNFISA-N 353.443 3.434 30 50 FGEA CCOC(=O)CC[C@@H](C)Sc1nc(C)c(C(=O)OCC)cc1C#N 1875255229 GMHWYNTYEJBANB-LLVKDONJSA-N 350.440 3.262 30 50 FGEA CC(C)c1nnsc1CNC(=O)CC1=C(c2ccccc2)CCC1=O 952966634 XTIOVBCIRPOIMP-UHFFFAOYSA-N 355.463 3.485 30 50 FGEA C=CCCC[C@H]1NC(=O)N(Cc2ccccc2-n2nc(C)cc2C)C1=O 1345149582 AQPLHEVTHMYOFD-QGZVFWFLSA-N 352.438 3.266 30 50 FGEA CC[C@]1(O)CCC[C@H]2CN(c3nc(-c4cccc(C)n4)ncc3C#N)C[C@H]21 2356149188 OSFVJJJMYVXLAM-XPIZARPCSA-N 363.465 3.096 30 50 FGEA OCC[C@@H](/N=C(/O)c1ccc(Br)c(F)c1)C1CCOCC1 330908354 UCCLIOZTRGGWMM-CQSZACIVSA-N 360.223 3.070 30 50 FGEA N#Cc1cccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)n1 72411735 CWMWBCQDCRQYDK-MAUKXSAKSA-N 366.490 3.075 30 50 FGEA C#CCSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1 334162932 HJDUILBKCHOCAI-UHFFFAOYSA-N 362.461 3.135 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 95521002 ZAUYXCOEHRHSJQ-UHFFFAOYSA-N 371.444 3.218 30 50 FGEA C=C(C)COc1ccccc1C(=O)N1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 299762547 NIGYSWHIYIRJCN-LKUPVBHCSA-N 359.466 3.440 30 50 FGEA CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 18182308 KHYKXQOONSTNTD-FQEVSTJZSA-N 374.444 3.392 30 50 FGEA Sc1nnc(-c2ccncc2)n1/N=C/c1ccccc1Br 1475294 NESICZKSHXTAHU-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccnc2)cc1 9109001 WKEVMXMPAPRAFT-FOIQADDNSA-N 373.416 3.097 30 50 FGEA O/C(=N/[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1CCCN1c1ccccc1 330235289 TVUUNHNIUABNAB-AEFFLSMTSA-N 351.454 3.071 30 50 FGEA C=CC[C@H]1CC=C[C@H](C)N1S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1615696536 OHUZBMQUDJVODY-QWRGUYRKSA-N 373.833 3.461 30 50 FGEA C=CCSc1nnc([C@H]2CCCN(Cc3cccc(OC)c3O)C2)n1C 14960021 HLEROBYWLXHTFZ-HNNXBMFYSA-N 374.510 3.187 30 50 FGEA COCc1cc(C)nc(SCC(=O)Nc2ccc(F)cc2F)c1C#N 807383 LGEQKGJQVCDICT-UHFFFAOYSA-N 363.389 3.417 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)[C@@H]1c1ccc(F)cc1 1220373 RBKPDGDCISCQOV-MRXNPFEDSA-N 355.321 3.013 30 50 FGEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(F)cc2)c2cc(Cl)ccc21 4842099 LQSPCIYCCGXXNK-LJQANCHMSA-N 359.784 3.472 30 50 FGEA N#CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 4852639 JLDKCAXZLFJDCP-AWEZNQCLSA-N 353.809 3.398 30 50 FGEA C=CCOc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1OCC 55413849 RRGDYMAMXNRBBE-UHFFFAOYSA-N 365.433 3.270 30 50 FGEA CC(C)c1noc([C@@H](NC(=O)c2sccc2C#N)C2CCOCC2)n1 328610366 HLTBNJHBHFQCTP-ZDUSSCGKSA-N 360.439 3.024 30 50 FGEA O=C1C[C@H](C/N=C(/O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CN1C1CC1 329267983 DLICFVZYBKANJA-RDTXWAMCSA-N 371.456 3.276 30 50 FGEA CC1(C)CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H]1C#N 331541850 YLUPYBDICMRKGN-AEFFLSMTSA-N 371.456 3.219 30 50 FGEA CCCCCCCCCCCCC(=O)NCCNC(=O)/C=C/C(=O)O 220971175 CCBFBPUTXFQNGE-BUHFOSPRSA-N 354.491 3.171 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCC(=O)c1ccccc1)CC2 91848855 RNFSIBGTGCMWNJ-UHFFFAOYSA-N 368.477 3.067 30 50 FGEA CN(C)[C@@H](CNC(=O)N1CCC(C#N)(c2ccccc2)CC1)c1ccco1 534654318 ZAVZDHGPJQFFCH-SFHVURJKSA-N 366.465 3.149 30 50 FGEA C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O 12379110 MRJAACNUMHGRBD-UHFFFAOYSA-N 367.430 3.019 30 50 FGEA CCN(CC)/C(=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 4991204 OQXZQVWXENJYFG-ZCXUNETKSA-N 361.423 3.072 30 50 FGEA CCCN1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](CC)C3)CC1 23095784 HCXPPQYSRJTDCT-OAHLLOKOSA-N 374.554 3.101 30 50 FGEA CCCCCC(=O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 12496524 LOLJEILMPWPILA-RLXHZABYSA-N 352.471 3.251 30 50 FGEA endogenous,in-man C#CCCC1(CCNC(=O)c2cc(C)n([C@@H]3CN4CCC3CC4)c2C)N=N1 2325887328 GWGFBRRMKJUTFX-LJQANCHMSA-N 367.497 3.067 30 50 FGEA C#CCCC1(CCNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)N=N1 2325893598 IBPUVRORUJTYIK-KRWDZBQOSA-N 374.444 3.275 30 50 FGEA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)[C@@]2(O)C(F)(F)F 2396579 ZHARTMFQCHWLBD-MRXNPFEDSA-N 357.303 3.109 30 50 FGEA C#CCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 2988795 UIHIWXBPQAISNF-GDNBJRDFSA-N 353.355 3.314 30 50 FGEA N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)nc1 72479972 JAFGYZUTENHLDU-FUHWJXTLSA-N 366.490 3.075 30 50 FGEA CC(C)c1nc(CN(C)C(=O)CC2=C(c3ccccc3)CCC2=O)no1 91365221 YJLUHXWDTUNCTG-UHFFFAOYSA-N 353.422 3.358 30 50 FGEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(OC)cc2OC)cc1 239174404 PYSDDYAEUJQQIW-UHFFFAOYSA-N 370.434 3.142 30 50 FGEA C#CCCC1(CCC(=O)N(CCN2CCCC2)Cc2ccccc2)N=N1 2325892236 FULJKGIEHSTXGU-UHFFFAOYSA-N 352.482 3.467 30 50 FGEA C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)O 4502929 LRJYXEKERMLCPB-UHFFFAOYSA-N 355.419 3.373 30 50 FGEA C=CCN(CCSc1ccccc1)C(=O)c1cc(C(C)=O)c(C)[nH]c1=O 55342223 FWNGMOADGWPGPL-UHFFFAOYSA-N 370.474 3.306 30 50 FGEA Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C/N=C(/O)c1ncoc1C1CC1 329188724 PKRSFUVOOIEPBL-KBPBESRZSA-N 362.405 3.074 30 50 FGEA C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 14747143 OAKNKXNSGJDNND-KRWDZBQOSA-N 356.514 3.060 30 50 FGEA O=C(O)c1ccccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1 1478070 XKXNNGKOSDUTAA-GIJQJNRQSA-N 358.810 3.468 30 50 FGEA COc1ccc(/C=N\Nc2nnc3c(n2)[nH]c2c(C)cccc23)c(OC)c1 32608649 LEUOSXIDZGXAKL-JMIUGGIZSA-N 362.393 3.278 30 50 FGEA CN(Cc1cn(-c2cccc(Br)c2)nn1)[C@H]1CC[C@@H](C#N)C1 294233331 SXLRXOZYIWTWOP-DOMZBBRYSA-N 360.259 3.154 30 50 FGEA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccc(F)cc1)O3 102707791 ZAHTUSMPCRFEFD-OHDICMOHSA-N 350.353 3.335 30 50 FGEA C=CCN1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)SC1=S 12343656 RUTURBIOEMKCSV-BJMVGYQFSA-N 356.812 3.341 30 50 FGEA CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 13540213 YRTJDWROBKPZNV-KMXMBPPJSA-N 350.455 3.459 30 50 FGEA endogenous,in-man C#CCCC1(CCNC(=O)c2cccc(NCc3cncs3)c2)N=N1 2325891635 SGDQJGZADLSJTA-UHFFFAOYSA-N 353.451 3.451 30 50 FGEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(C)c(F)c1C)CCN2C 107402914 LYPZAYOQRXNXPX-JOCHJYFZSA-N 373.516 3.127 30 50 FGEA Cc1sc(NC(=O)CN2CCC[C@H](c3ccncc3)C2)c(C#N)c1C 289315929 JPNPRJPTZBNSMM-INIZCTEOSA-N 354.479 3.450 30 50 FGEA C=CCNC(=S)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 2815005 OGJODOJYPCANDR-UHFFFAOYSA-N 356.476 3.186 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)N=N1 2325892173 CTLFUJIWSLLJEK-UHFFFAOYSA-N 362.437 3.109 30 50 FGEA C=C(C)Cn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8441210 ADZDMRMSESQGRR-UHFFFAOYSA-N 350.488 3.062 30 50 FGEA CCCNc1cc(OCC)c(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003411 RAFLULDCFVCAKN-UHFFFAOYSA-N 350.224 3.115 30 50 FGEA O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2nncc(-c3ccccc3)n2)c1O 38169329 SPUMCIIAAAPEPR-QGMBQPNBSA-N 370.756 3.252 30 50 FGEA Cc1ccc(S(=O)(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cc1 228893870 AENMXOFMCUYVTQ-UHFFFAOYSA-N 365.304 3.242 30 50 FGEA C#CCCC1(CCC(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)N=N1 1875382312 XSDJWHWOHOTGET-UHFFFAOYSA-N 361.409 3.258 30 50 FGEA CCN1CCC(N(CCc2ccccn2)Cc2cc(C#N)n(C)c2C)CC1 1506419267 NCJCJUFUJKUNDG-UHFFFAOYSA-N 365.525 3.129 30 50 FGEA CC(C)OC(=O)C(=O)/C=C(\Nc1cccc(C(=O)O)c1)c1ccccc1 2274134 LPLHNCRZAOMPKT-ATVHPVEESA-N 353.374 3.359 30 50 FGEA Cc1cc(C)c(C#N)c(N2CCCN(C(=O)c3ccc(C)s3)CC2)n1 1772816882 VYDKKZQRHIXOJU-UHFFFAOYSA-N 354.479 3.293 30 50 FGEA O=C(C#Cc1ccccc1)N1CCC[C@](CO)(Cc2ccccc2F)C1 12430933 XLQDYQMEQQFETG-QFIPXVFZSA-N 351.421 3.021 30 50 FGEA N#Cc1c(Cl)cccc1N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818145201 MAOQNBKBHWKVEZ-GOSISDBHSA-N 358.829 3.046 30 50 FGEA N#Cc1c(N2CCN(CCc3ccccc3)CC2)cccc1-n1cccn1 2325857807 PZBSVRBSNILQAS-UHFFFAOYSA-N 357.461 3.109 30 50 FGEA C#CCCC1(CCNC(=O)c2cc(C)n([C@H]3CN4CCC3CC4)c2C)N=N1 2325887327 GWGFBRRMKJUTFX-IBGZPJMESA-N 367.497 3.067 30 50 FGEA Cc1c(CCC#N)c(=O)n2c3ccccc3nc2n1CC(=O)c1ccccc1 9262109 PQNGUMDVHGOPQD-UHFFFAOYSA-N 370.412 3.297 30 50 FGEA N#Cc1cncc(NCC2(c3cccc(Br)c3)CCOCC2)n1 420589111 SRMQXEMKAVZTLX-UHFFFAOYSA-N 373.254 3.271 30 50 FGEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)C(=O)Nc1cc(C)on1 55132036 GVJILEVUMCGRBA-SJORKVTESA-N 351.406 3.396 30 50 FGEA COc1ccc(C(=O)[C@H]2CCCN(c3cccc(C#N)n3)C2)c(OC)c1 71415690 MDEWLLIUCUTCOZ-AWEZNQCLSA-N 351.406 3.070 30 50 FGEA C=CCN1C[C@H](C(=O)NCc2ccc3[nH]c(CC)c(C)c3c2)CCC1=O 71735645 LTNUKMSUPCASJH-MRXNPFEDSA-N 353.466 3.080 30 50 FGEA C[C@@H](CCNC(=O)c1cccc(-c2ccccc2C#N)c1)N1CCOCC1 426563275 KQJKZABOGFSNBL-KRWDZBQOSA-N 363.461 3.066 30 50 FGEA Cc1c(/C(O)=N/C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cnn1CCC(C)C 328682127 CXKKJKPRPDZFPW-FUHWJXTLSA-N 363.502 3.110 30 50 FGEA CCCc1n[nH]cc1/C(O)=N/[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328615153 XVWUITLZGJVYAE-OAHLLOKOSA-N 361.446 3.341 30 50 FGEA Cc1nc(O)c(C#N)cc1C(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 77287336 YINUHPCKWHNQOP-QGZVFWFLSA-N 365.433 3.300 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(C(=O)C/C=C/c3ccccc3F)C2)nc1 366388897 SYNLIPUJYDOHBG-NJELEJDNSA-N 351.381 3.176 30 50 FGEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@@H](C)c2ccc(C#N)cc2)oc1C 377770972 CLUGHRLMHBTNBK-JVPBZIDWSA-N 356.445 3.426 30 50 FGEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 17074410 RSCLNMUBDWOBCI-HTMJNSLASA-N 361.423 3.421 30 50 FGEA CC(C)n1cnnc1CN(C)C(=O)c1cccc(-c2cccnc2C#N)c1 299756153 ICQOARZMONUMAY-UHFFFAOYSA-N 360.421 3.065 30 50 FGEA Cc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(N(C)C)cc3)NC2=O)cc1 12843864 RHAKDESVJBGCRV-KOMLCTQHSA-N 366.490 3.225 30 50 FGEA S[C@@H](COCc1ccccc1)CN1CCN(Cc2ccccc2)CC1 19790671 CTQGNRHHJNRIOL-OAQYLSRUSA-N 356.535 3.319 30 50 FGEA Cc1nsc(N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)c1C#N 329342724 SRZDXYIAMZUPLO-CQSZACIVSA-N 350.451 3.492 30 50 FGEA O=C1C(=Cc2ccc(I)o2)C(=O)c2ccccc21 977281 DDXUMHGEWGPQKW-UHFFFAOYSA-N 350.111 3.347 30 50 FGEA O/C(=N/[C@@H]1CCc2cc(Cl)ccc21)N1CCOC[C@@H]1[C@@H]1CCCO1 329290588 QRBBIQZKAGOZCT-ZACQAIPSSA-N 350.846 3.121 30 50 FGEA O=C(C[n+]1cccc(/N=C(\O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 1950579 RWBCZFXOWUYPOD-UHFFFAOYSA-O 362.365 3.402 30 50 FGEA NC(=O)[C@H](CS)NC(c1ccccc1)(c1ccccc1)c1ccccc1 63360945 QQMZZOZYQXTVCD-FQEVSTJZSA-N 362.498 3.352 30 50 FGEA N#C[C@@H]1CN(C(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)C[C@H]1c1ccccc1 329499852 VQNCVFUUPDEQAY-RNGXCGTMSA-N 364.367 3.108 30 50 FGEA COc1cccc2c1C1(CCN(C(=O)c3ccc(C#N)cc3)CC1)OCC2 1704311530 ANSDOOGXFNSFTH-UHFFFAOYSA-N 362.429 3.271 30 50 FGEA COc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1OC 13773738 OUEQJDWFPMTQKF-UHFFFAOYSA-N 363.437 3.289 30 50 FGEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)c2csnc2C)cs1 328627087 FUTDAMBLTUMPEX-AAEUAGOBSA-N 354.476 3.134 30 50 FGEA Cc1ncn(-c2ccc(NC(=O)[C@]3(C#N)CC34CCOCC4)cc2)c1C 2325767753 RDNYJNYDYALZKK-HXUWFJFHSA-N 350.422 3.138 30 50 FGEA CCc1ccc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CCC3)cc1 3902275 XMSDQVQDTIJCKX-FQEVSTJZSA-N 369.461 3.407 30 50 FGEA CC(=O)N(C1=C(N(C)C)C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 4725416 KBMDOKFHAUXHRC-UHFFFAOYSA-N 370.355 3.170 30 50 FGEA O=C(O)[C@@](F)(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F 100698841 UEMCEVFIBUIDFT-UWTATZPHSA-N 359.066 3.071 30 50 FGEA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3sccc3C#N)CC2)cn1 328636910 OIFYLCIHVATCTE-OAHLLOKOSA-N 369.494 3.188 30 50 FGEA COc1ncc(-c2c(C#N)c(N)nc3c2C[C@@H](c2ccccc2)CC3)cn1 71551648 GRBVODMUFZXWGC-AWEZNQCLSA-N 357.417 3.274 30 50 FGEA CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2cc(C#N)ccc2=O)cc1 331895094 JGHWVLJRTMDHIR-LJQANCHMSA-N 363.461 3.381 30 50 FGEA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C#N)C1 20419259 SKKONAKHCWVJTJ-CYBMUJFWSA-N 361.511 3.041 30 50 FGEA Cc1nc(N/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)oc1C 328640157 XFOCCMRXFWKRIZ-SNVBAGLBSA-N 357.336 3.095 30 50 FGEA CC(C)n1cnnc1[C@@H](C)NC(=O)CC1=C(c2ccccc2)CCC1=O 827999749 NBQXQXKBRCAXQR-CQSZACIVSA-N 352.438 3.243 30 50 FGEA COc1ccc(/C(N)=N/OC(=O)COc2ccc(C(C)(C)C)cc2)cc1 5044316 RULWKSWNAXYYGM-UHFFFAOYSA-N 356.422 3.235 30 50 FGEA COc1ccc(OC)c(/C=N/n2c(S)nnc2COc2ccccc2)c1 1305075 PCTZCGOPIJPLCA-YBFXNURJSA-N 370.434 3.045 30 50 FGEA NS(=O)(=O)c1ccc(C/N=C(/S)Nc2ccc(F)c(Cl)c2)cc1 13544932 JRLPLTUDAVCZJS-UHFFFAOYSA-N 373.862 3.024 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NC1CCCC1)C2 14733396 JQGPPJMNSAVORK-QGZVFWFLSA-N 356.514 3.085 30 50 FGEA CCOc1cc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)ccc1O 16688784 UDEPAJUJAQIIAU-JCMHNJIXSA-N 353.466 3.251 30 50 FGEA COc1cccc(N2CCN(c3nc4ccccc4c(C)c3C#N)CC2=O)c1 1857675299 RUVHUGORGXLVNY-UHFFFAOYSA-N 372.428 3.277 30 50 FGEA CN1C(=O)CCc2cc(CN3CCC(c4ccc(C#N)cn4)CC3)ccc21 2325761156 YGRGLGCMCXOMIW-UHFFFAOYSA-N 360.461 3.242 30 50 FGEA C#CCCC1(CCNC(=O)c2ccccc2N(C)C(=O)c2ccco2)N=N1 2325891102 QQPSAYJGHXHCIJ-UHFFFAOYSA-N 364.405 3.252 30 50 FGEA C=CCOc1cccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)c1 4841272 XJGJJCQTFOEQIA-UHFFFAOYSA-N 365.389 3.240 30 50 FGEA O=C(O)c1cc(/N=C/c2ccccc2I)ccc1O 22017347 QQNODTYHOCIHMI-LZYBPNLTSA-N 367.142 3.446 30 50 FGEA CCCN1CCC[C@@H](NC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 426527923 OMYQTJGPAGUGKR-LJQANCHMSA-N 354.498 3.128 30 50 FGEA Cc1nc(C(=O)Nc2cccc(C#N)c2)nn1-c1ccc(OC(F)F)cc1 261490701 ZMBMOASYNHVFJR-UHFFFAOYSA-N 369.331 3.301 30 50 FGEA C=CCNC(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O 14979127 OVRDZHWSVMJNSK-UHFFFAOYSA-N 354.425 3.348 30 50 FGEA O=C(c1ccco1)N1C[C@H]2[C@H](CN(CC#Cc3ccccc3)C3CC3)[C@H]2C1 102313471 WJXFWJAIONSSKQ-MZADTFQBSA-N 360.457 3.114 30 50 FGEA C=CCn1cc(CN[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)c(C)n1 11662603 IBAUDENVAARDEX-NRFANRHFSA-N 374.488 3.421 30 50 FGEA Cc1cccnc1CN1CCN(c2nc3ccccc3c(C)c2C#N)CC1 1857678883 CAIBZFYVVURUCK-UHFFFAOYSA-N 357.461 3.441 30 50 FGEA N#Cc1cnn(-c2ccc(C(=O)N[C@H](c3ccccc3)C(F)F)cc2)c1N 481896432 FRBAOQYAZKBSBR-MRXNPFEDSA-N 367.359 3.062 30 50 FGEA COCc1ccc([C@@H]2CCCN2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 248628331 QSCOGUVBHXDMKB-WBVHZDCISA-N 359.470 3.294 30 50 FGEA CCn1c(NC(=O)c2ccc3nc(C)n(C)c3c2)nc2cc(C#N)ccc21 476533358 LMHOWNIMFHBDFN-UHFFFAOYSA-N 358.405 3.375 30 50 FGEA Cc1nc(-c2ccccc2N=C(O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cs1 329104449 DMVUGORJVBXGBL-ROUUACIJSA-N 372.494 3.069 30 50 FGEA N#Cc1ccc(N2CC[C@@H](C(=O)N3CCOCc4ccccc43)C2)c(F)c1 286544181 DDYRZQKPPBNYEK-MRXNPFEDSA-N 365.408 3.087 30 50 FGEA COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)cc1O 1848444014 CHZSXZXNWMCZPO-GQCTYLIASA-N 358.346 3.043 30 50 FGEA Cc1ccc(S(=O)(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 12647670 IKOMRHLHPZAEMV-UHFFFAOYSA-N 355.456 3.100 30 50 FGEA in-vitro COc1ccc(C(=O)N2CCC[C@@]2(C#N)c2ccccc2)cc1[N+](=O)[O-] 1217401 IZZOVCHJKUUPBY-LJQANCHMSA-N 351.362 3.258 30 50 FGEA COc1cc(C#N)ccc1OC(=O)c1cnn(-c2ccc(F)cc2F)c1 156317743 PSUKVFVTLPRQRU-UHFFFAOYSA-N 355.300 3.250 30 50 FGEA Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnc(O)c(C#N)c3C)[nH]c2c1 72425713 TWOIHYZJWSADMG-QGZVFWFLSA-N 361.405 3.129 30 50 FGEA Cn1cc(C#N)cc1-c1nc(COc2ccccc2)nn1CC(F)(F)F 96140524 WZAPYQXNAJZFDB-UHFFFAOYSA-N 361.327 3.297 30 50 FGEA COc1ccc([C@H]2O[C@@]34CCCC[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 239358448 NIQNGEJIBOTJBP-ACZWYYKOSA-N 362.389 3.204 30 50 FGEA C=C(C)[C@@H]1CC=C(CN2CCC(CNC(=O)c3cc(C)nn3C)CC2)CC1 820537622 OFBPZKPJKVSEEQ-HXUWFJFHSA-N 370.541 3.473 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1)c1ccccc1 5484058 AZLFHVRRYXDANO-MJGOQNOKSA-N 363.413 3.444 30 50 FGEA C=CCCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 12437780 PIXORRGWIGKZQK-JOCHJYFZSA-N 354.494 3.427 30 50 FGEA COc1ccc2nc(/N=C(N)/N=C(\S)Nc3ccccc3)nc(C)c2c1 18120035 LYDVRAYUQDGZOH-UHFFFAOYSA-N 366.450 3.291 30 50 FGEA Cc1cccc(N=C(O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328643276 YRZCNIXGEDGDPO-LBPRGKRZSA-N 367.375 3.345 30 50 FGEA O=C(OCC#CCS(=O)(=O)c1ccc2ccccc2c1)c1ccco1 22258535 YUMJVPHFMSEFIH-UHFFFAOYSA-N 354.383 3.067 30 50 FGEA COc1ccc(/N=C(\S)N2CCN(Cc3ccco3)CC2)c(OC)c1 36384077 GJUNZMYMSVREIL-UHFFFAOYSA-N 361.467 3.032 30 50 FGEA CN(C/C(O)=N/Cc1ccco1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328649325 UYEXXVKOJSOYDL-GJZGRUSLSA-N 365.474 3.342 30 50 FGEA CN1C(=O)C[C@H](/C(O)=N/C2C3CC4CC(C3)CC2C4)[C@H]1c1cccnc1 329525773 STZKZOHYJXNDPO-URKLDQPGSA-N 353.466 3.382 30 50 FGEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@@H]1CCCC[C@@]1(O3)O[C@@H]2c1cccc(F)c1 137847911 ZEXNXFUAFZIXDX-MFVLPEOLSA-N 350.353 3.223 30 50 FGEA N#Cc1cccc(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c1 92021957 FOWWFJUQDVFULX-QFIPXVFZSA-N 365.477 3.346 30 50 FGEA N#Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)c1 91468707 PVWYOESEFQLPQM-HXUWFJFHSA-N 371.444 3.218 30 50 FGEA CC[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)CC2)CC1 1875342020 UHYFCTYQHTVQOV-VMXHOPILSA-N 361.530 3.401 30 50 FGEA CC(=O)c1c(C)nc(SCC(N)=O)c(C#N)c1/C=C/c1ccccc1 951723424 DHFBATFRSHKBPO-CMDGGOBGSA-N 351.431 3.212 30 50 FGEA N#Cc1ccc(NC(=O)CCN2CCC([C@H]3CCCO3)CC2)cc1Cl 189162377 QLFVZXAREYTLCQ-GOSISDBHSA-N 361.873 3.431 30 50 FGEA COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1066134 IEUBWYGYCXJKLI-QGZVFWFLSA-N 368.345 3.092 30 50 FGEA CCCCCCCCCCn1c(NCCC)nc2c1c(=O)[nH]c(=O)n2C 2520851 IKPQJXRBBLOZJT-UHFFFAOYSA-N 363.506 3.386 30 50 FGEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)Nc1ccccc1 170004398 VOFZHAMWSACZOU-UHFFFAOYSA-N 353.227 3.247 30 50 FGEA O=C(Nc1ccccc1C#Cc1ccccc1)c1cnc2n(c1=O)CCS2 472218669 CYXVYUSSYAZQLC-UHFFFAOYSA-N 373.437 3.001 30 50 FGEA CCOC(=O)c1cncc(-c2cccc(C(=O)N3CCC[C@@H](C#N)C3)c2)c1 426359637 OMNUMHZHDBBDBN-HNNXBMFYSA-N 363.417 3.301 30 50 FGEA Cc1cc(C)c(C#N)c(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)n1 95370124 MFFJGIKAAAYYKL-RBUKOAKNSA-N 360.461 3.198 30 50 FGEA N#Cc1cccnc1N1CCC(NC(=O)C[C@@H]2CCc3ccccc32)CC1 91547387 JCFHRPDHCWRBQA-KRWDZBQOSA-N 360.461 3.158 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CC[C@](C(=O)O)(c3ccccc3)C2)s1 828460883 SSSFOMJPCBAIAE-OAQYLSRUSA-N 369.486 3.099 30 50 FGEA O=C1CN(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2Cl)N1O 1231909 BBAWQVHNGZIMED-HNNXBMFYSA-N 351.189 3.366 30 50 FGEA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(C(F)(F)F)c2F)C1 379021605 BHQOQQRTAKHIOB-XCBNKYQSSA-N 358.257 3.339 30 50 FGEA COc1ccc(-c2cc(-c3coc(C)n3)c(C#N)c(N)n2)c(OC)c1OC 67676306 OTBFHEBDEYXTGR-UHFFFAOYSA-N 366.377 3.192 30 50 FGEA C=CCOc1ccc(CNC[C@@H]2CCN(CCCOC)C2)cc1CC=C 1506415361 NDDOBVPQWZHHTF-FQEVSTJZSA-N 358.526 3.428 30 50 FGEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1 2069398 JJXLMDCFUJVYKL-IBGZPJMESA-N 371.433 3.322 30 50 FGEA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C#N)N2C=Cc4ccccc4[C@@H]32)cc1 245312890 YNAOQICKJHRKCJ-MUGJNUQGSA-N 355.397 3.034 30 50 FGEA CC(C)OC(=S)N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 12731722 HESYKZWPMFSFJU-UHFFFAOYSA-N 362.476 3.122 30 50 FGEA COc1ccc(C[C@@H]2S/C(=N\N=C\CCc3ccc(C)o3)NC2=O)cc1 18209344 ANIBRAQNGVOKRB-PBGVMVHZSA-N 371.462 3.345 30 50 FGEA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C(\N)c1ccncc1 4803737 PIAUFVNCFULYHY-SECBINFHSA-N 354.193 3.019 30 50 FGEA N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CC2)nc1N 6718453 DYVFBWXIOCLHPP-UHFFFAOYSA-N 364.449 3.164 30 50 FGEA in-vitro COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1 7056124 ZGDRBWUYCZMDOC-UHFFFAOYSA-N 367.224 3.130 30 50 FGEA Cc1cc(C)n(-c2cccc(CN3CCN(c4cccc(C#N)n4)CC3)c2)n1 65384663 DFTGYOBQGPBANF-UHFFFAOYSA-N 372.476 3.078 30 50 FGEA N#Cc1c[nH]c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)c1 299761498 SQMYAMSNSOGHFL-GOSISDBHSA-N 356.857 3.497 30 50 FGEA C=CC(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1 1875302822 IDYLPJPZNVTWAH-SMDDNHRTSA-N 366.248 3.099 30 50 FGEA N#Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(Br)c2)n1 1875317404 YNWPBQSJZOGEPC-UHFFFAOYSA-N 372.631 3.170 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)Nc1ccnn1Cc1cccnc1 2100537268 KYUHPWSDFXYLEK-UHFFFAOYSA-N 372.428 3.472 30 50 FGEA N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CCCC2 803054 VEQFWHCTRYDIFT-UHFFFAOYSA-N 353.403 3.045 30 50 FGEA C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1 3563035 QYBASVOCQVLLOA-UHFFFAOYSA-N 354.435 3.133 30 50 FGEA COc1ccccc1N1CCN(/N=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 33319668 INNCXYPHCWEPIH-HMMYKYKNSA-N 354.410 3.150 30 50 FGEA CO[C@]1(C/N=C(/O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)CCOC1 328606345 RDHSNCYKJNWHKC-WBAXXEDZSA-N 351.830 3.142 30 50 FGEA C[C@H](C#N)Oc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 188718655 XMKGICCRXMDBQE-HZPDHXFCSA-N 359.470 3.419 30 50 FGEA Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 2563761 DARTVAOOTJKHQW-UHFFFAOYSA-N 369.483 3.347 30 50 FGEA in-vitro COc1cccc(N2CCN(/C(S)=N\CCc3ccccc3)CC2)c1 13482756 VAIJTZCAWOLCST-UHFFFAOYSA-N 355.507 3.346 30 50 FGEA CCCC[C@@H]1CN(c2nc(C)c(C(=O)OC)cc2C#N)C[C@H](C2CC2)O1 1875251511 QIYZSIBTUQIVDJ-SJLPKXTDSA-N 357.454 3.222 30 50 FGEA Cc1ccc(S(=O)(=O)O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 35287599 SKOKKOPKFKENHX-AWEZNQCLSA-N 355.456 3.100 30 50 FGEA in-vitro CCN1CCC[C@@H](CN(C)/C(O)=N/[C@@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 328635416 URTTXIVQPJWTFI-QXAKKESOSA-N 359.518 3.148 30 50 FGEA COc1ccc(-c2nnc(S)n2N=Cc2cc(OC)ccc2OC)cc1 245253940 UNLXYALPORZJNC-UHFFFAOYSA-N 370.434 3.142 30 50 FGEA COc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c2cc(C(=O)O)oc12 1875263530 RTTYGVHDJPVGAX-DJKKODMXSA-N 354.318 3.284 30 50 FGEA COc1ccc2nc(N3C[C@@H](Cn4cnnc4)C4(CCC4)C3)c(C#N)cc2c1 1875404682 QPNVNMYOABCDHE-QGZVFWFLSA-N 374.448 3.013 30 50 FGEA O=C1CCCC2=C1C(c1cc([N+](=O)[O-])ccc1O)C1=C(CCCC1=O)N2 19863599 IAHIPRFTLHACPY-UHFFFAOYSA-N 354.362 3.001 30 50 FGEA Cc1ccc(N=C(O)N2CC[C@H](CN(C)Cc3scnc3C)C2)cn1 328624199 CGHCPLRPCBPTIP-OAHLLOKOSA-N 359.499 3.154 30 50 FGEA Cc1cccc(N/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328619498 FXNUYULYLIGEDT-NSHDSACASA-N 353.348 3.194 30 50 FGEA Cc1nsc(N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)c1C#N 329342723 SRZDXYIAMZUPLO-AWEZNQCLSA-N 350.451 3.492 30 50 FGEA C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccco1 9263533 MYBKWPWZKXESTO-JTQLQIEISA-N 361.452 3.300 30 50 FGEA CN(Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1)C[C@@H]1CCCCO1 65375314 CKGWXXVKEAMTAV-FQEVSTJZSA-N 364.449 3.206 30 50 FGEA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccc(F)c1)O3 102706368 QOXYKXOQFVXHFB-OHDICMOHSA-N 350.353 3.335 30 50 FGEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1)c1ccco1 6813935 RJUPREZXKQELOY-GOSISDBHSA-N 360.369 3.453 30 50 FGEA COc1cc(OC)c(C#Cc2c(OC)cc(OC)cc2OC)c(OC)c1 2519875 FWUBMWARRPTEQP-UHFFFAOYSA-N 358.390 3.138 30 50 FGEA COC(=O)c1nsc(N=C(O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 328595630 ZMSICZJLQPCDAU-ZETCQYMHSA-N 368.396 3.002 30 50 FGEA CC(C)N1CCCC[C@@H]1CCNS(=O)(=O)c1ccc(C#N)cc1Cl 670446684 CNIAWDQIEPHANO-OAHLLOKOSA-N 369.918 3.143 30 50 FGEA N#Cc1ccccc1N1CCCN(C(=O)NCc2cc(F)ccc2F)CC1 170926836 MRZYKOWWZSYEDZ-UHFFFAOYSA-N 370.403 3.258 30 50 FGEA N#Cc1cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1F 376076442 QMKPKVSEYGPJOA-UHFFFAOYSA-N 369.362 3.232 30 50 FGEA C=CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C 2693436 FCXMSMCXMCXCFN-UHFFFAOYSA-N 366.826 3.465 30 50 FGEA C=CCOc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 55292036 QYIDWIOCKNMCKY-UHFFFAOYSA-N 353.422 3.482 30 50 FGEA CC1(C)CC(=O)C=C(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)O1 55243060 MFRVAHJPJYFTPC-UHFFFAOYSA-N 370.449 3.293 30 50 FGEA N#Cc1cn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c2ccccc2c1=O 283764362 BBAPLWFBPFSTKQ-FQEVSTJZSA-N 373.456 3.164 30 50 FGEA CC(C)CN1CCN(Cc2ccc(-c3ccccc3C#N)o2)C[C@@H]1CCO 215955153 OBKPKUMWDAGPCF-IBGZPJMESA-N 367.493 3.343 30 50 FGEA N#Cc1ccc(NC(=O)NC[C@H](c2ccccc2F)N2CCCC2)cn1 299771569 QZXHPZZUTJGHLC-GOSISDBHSA-N 353.401 3.051 30 50 FGEA CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1232050 IWUOMZGADMZCHQ-CYVLTUHYSA-N 366.826 3.102 30 50 FGEA COc1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1OC 2871500 HIEAQIRPAALLMP-UHFFFAOYSA-N 363.229 3.153 30 50 FGEA CCn1cc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1C#N 72454335 YUEXWFBINXCWBI-UHFFFAOYSA-N 352.526 3.466 30 50 FGEA COC1CC[C@@H]2CC[C@H](CC1)C2=NNS(=O)(=O)c1ccc(C)cc1 45069755 YDOUAVFJRIGNQS-XYPWUTKMSA-N 350.484 3.245 30 50 FGEA C=CCc1cc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)ccc1OC 223634252 FHRITSKYUOUCAP-OAQYLSRUSA-N 366.461 3.405 30 50 FGEA C=CCC1(O)CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 886762228 UKEHZXFWVUXCDF-LSDHHAIUSA-N 350.890 3.309 30 50 FGEA CCN(Cc1ccccc1)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N 4577987 RDLHQHPBHQOFJF-UHFFFAOYSA-N 363.870 3.434 30 50 FGEA N#CCN(CC(=O)N1CC[C@H](c2ccc(O)cc2)C1)c1cccc(Cl)c1 1875268782 QWIAQWAFTVFLNL-INIZCTEOSA-N 369.852 3.392 30 50 FGEA Cc1nsc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1C#N 281225689 RVKFZTLIFOTNKJ-UHFFFAOYSA-N 352.423 3.043 30 50 FGEA Sc1nnc(-c2ccncc2)n1/N=C/c1ccc(Br)cc1 1248237 GSWLTRCIPAWNOU-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA C#CCCC1(CCNC(=O)CN(Cc2cccnc2)c2ccccc2)N=N1 2325891158 UKVSZSDVYASSLT-UHFFFAOYSA-N 361.449 3.170 30 50 FGEA OC1=N[C@@H]2CCCC[C@H]2N(/C(O)=N/CCc2ccc3ccccc3n2)C1 330216040 HKOFSZBKESDYIC-QZTJIDSGSA-N 352.438 3.275 30 50 FGEA C=CCc1cc(CN(CCOC)C[C@H]2CCCO2)cc(OCC)c1OC 1506408200 CFRRESOGPHVBRI-LJQANCHMSA-N 363.498 3.450 30 50 FGEA CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 5613298 YKXISAAADGBMKX-OVCLIPMQSA-N 371.374 3.270 30 50 FGEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1[N+](=O)[O-] 5704416 ODFHWLRSQUHCHV-LICLKQGHSA-N 355.379 3.407 30 50 FGEA C=CCn1cc(CN[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)c(C)n1 11662602 IBAUDENVAARDEX-OAQYLSRUSA-N 374.488 3.421 30 50 FGEA CN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c(OCc2ccccc2)co1 2325744661 DZBBNCZGOVLOBA-UHFFFAOYSA-N 374.396 3.363 30 50 FGEA CC(C)N1CCc2nc(N)c(C#N)c(-c3cnc4cc(O)ccc4c3)c2C1 72173775 QQXURBAIUZFNQV-UHFFFAOYSA-N 359.433 3.223 30 50 FGEA COc1ccc(CN(C)Cc2cc(C#CCO)cs2)c2cccnc12 828644654 SEVIGYMEPYUVGJ-UHFFFAOYSA-N 352.459 3.281 30 50 FGEA CCOc1cc(/C=N/n2c(S)nnc2COc2ccccc2)ccc1O 1244117 XMJDXILMLXALEN-YBFXNURJSA-N 370.434 3.132 30 50 FGEA CC(C)Cc1ccc(C(=O)N=c2[nH]n(CC(F)(F)F)cc2C#N)s1 2325806513 GSMRHOHSEAEYDZ-UHFFFAOYSA-N 356.373 3.251 30 50 FGEA C=CCn1c(SCC(=O)N(CC)CC)nc2sc(C)c(C)c2c1=O 1077455 CPPQYODZWYMFGJ-UHFFFAOYSA-N 365.524 3.221 30 50 FGEA COc1cc(CN2CCC[C@@H](C#N)C2)ccc1OCc1ccc(C(=O)O)o1 97696405 FSKHMGOEZNBWDE-HNNXBMFYSA-N 370.405 3.301 30 50 FGEA Cc1ccc(CN2CCN(N=Cc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 244831483 UEOWIYVGOTXFDR-UHFFFAOYSA-N 352.438 3.363 30 50 FGEA C[C@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2C1=CC[C@H]2C[C@H]1C2(C)C 245324834 AFQQUICKZPLXEB-ZLMDVIQYSA-N 350.422 3.281 30 50 FGEA N#Cc1ccnc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)c1 1565513648 MCNDKTAZMZKYOC-AEFFLSMTSA-N 366.490 3.075 30 50 FGEA C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 13375929 ZAFWZYJABGQURM-YVLHZVERSA-N 358.310 3.110 30 50 FGEA C=CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 3002301 RAHNJKQSSSQVBK-LDADJPATSA-N 350.827 3.217 30 50 FGEA N#Cc1ccc(NC(=O)CCN2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl 140526217 BXOROAQRDCDKSP-DNVCBOLYSA-N 361.873 3.167 30 50 FGEA Cc1cc(C)nc(/N=C2\N=C(O)C[C@H](C(=O)O)N2c2cccc(Cl)c2)n1 1896756 AGJLBHQGHCFNKM-CYBMUJFWSA-N 373.800 3.054 30 50 FGEA Cc1ccc(N=C(O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)cn1 328643872 ZAQUHLHTCSQLRN-HNNXBMFYSA-N 359.430 3.199 30 50 FGEA C=CCCCCN1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77391427 CDAPYCUVWAWGLJ-NRFANRHFSA-N 356.514 3.346 30 50 FGEA CC1=CC(=O)[C@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@H]2S1(=O)=O 239309241 HIZIVFAFGQVLQJ-GQJWIHHCSA-N 362.491 3.378 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(SC)cc1)CC2 91445226 HHRHNPGQRDPJDX-UHFFFAOYSA-N 372.534 3.368 30 50 FGEA N#Cc1ccc(C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)cc1 91637103 DQSOUYNLZBZVHE-UHFFFAOYSA-N 371.444 3.218 30 50 FGEA O=C(NN1CCOC1=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 862704713 UKZFYSKCAVRDNE-UHFFFAOYSA-N 374.212 3.073 30 50 FGEA O=C(C#Cc1ccccc1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 276993711 SUCUUAFEFJMAOB-GOSISDBHSA-N 365.433 3.069 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(=O)OC)cc1 626587 LCXJQXMTVMBGOK-GOSISDBHSA-N 369.417 3.004 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 626900 VMTJJPYJWCLDPS-MRXNPFEDSA-N 355.434 3.485 30 50 FGEA Cc1cc(O)c(C(=O)/C=C/c2cc(Br)ccc2O)c(=O)o1 3995507 OKJVRQMQAZBFGZ-DUXPYHPUSA-N 351.152 3.018 30 50 FGEA C#CCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 5368478 GTBQDNPKLQYVCQ-UHFFFAOYSA-N 351.189 3.385 30 50 FGEA N#Cc1ccc(N2CCC(N[C@@H](CO)c3c(F)cccc3F)CC2)cc1 367736569 GSGLNBOKAZDHEF-IBGZPJMESA-N 357.404 3.128 30 50 FGEA Cc1cccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S2)c1 18209061 OUVRXGBFPPGJPM-YDDPGSGASA-N 368.418 3.067 30 50 FGEA COc1ccc(C(=O)C[n+]2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 3131462 DLOOOMCFZYWBDP-UHFFFAOYSA-N 363.393 3.365 30 50 FGEA COc1ccccc1C/C(N)=N/OC(=O)COc1cc(C)cc(C)c1C 4954694 FKNRAYRREVEGEX-UHFFFAOYSA-N 356.422 3.057 30 50 FGEA CO/N=C/c1c(C(F)(F)F)nn(C)c1Sc1ccccc1C(=O)OC 3052469 BQVDVGXPUPZLCT-UFWORHAWSA-N 373.356 3.357 30 50 FGEA OC(=Nc1cncnc1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328603990 IAXMRBWYEAJHCN-RDJZCZTQSA-N 353.357 3.167 30 50 FGEA C[C@]1(N/C(O)=N/[C@@H]2CCOC3(CCOCC3)C2)CCCc2ccccc21 329650538 JYYMIGXRUUHEHV-XLIONFOSSA-N 358.482 3.470 30 50 FGEA CC(C)c1nc2n(n1)C[C@H](/N=C(/O)[C@H]1CCCN1c1ccccc1)CC2 329887788 XXCCWFWAPDWOJS-NVXWUHKLSA-N 353.470 3.342 30 50 FGEA N#C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCC2(F)F)C[C@H]1c1ccccc1 297158539 RTGKFEXPPCNRHB-ZACQAIPSSA-N 368.449 3.381 30 50 FGEA C#CCNC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)n(C)c1C 263640079 WOTZYRURKZMVML-UHFFFAOYSA-N 355.747 3.431 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc(-c3nnnn3C(C)C)c2)N=N1 1875368609 FDARIHOCWNIUHN-UHFFFAOYSA-N 351.414 3.215 30 50 FGEA O=[N+]([O-])c1cc(/C=N/n2c(S)nnc2-c2ccccn2)ccc1Cl 17207102 KORWMOVWMDNHJW-CAOOACKPSA-N 360.786 3.073 30 50 FGEA N#Cc1ccc(NCC(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 120467493 HCSFNRGDVULVGF-UHFFFAOYSA-N 371.387 3.318 30 50 FGEA N#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2ccccc2)CC1 6698119 YPHZENMACXMXCL-UHFFFAOYSA-N 358.401 3.176 30 50 FGEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cccc(C#N)c2)cs1 328608162 YJIKLJIGIOCJHW-WMZOPIPTSA-N 372.469 3.008 30 50 FGEA CC(C)N1CCCC[C@H]1CCNS(=O)(=O)c1ccc(C#N)cc1Cl 670446683 CNIAWDQIEPHANO-HNNXBMFYSA-N 369.918 3.143 30 50 FGEA C#CCCC1(CCC(=O)N2CCCCCCNC(=O)[C@@H]3CCC[C@H]32)N=N1 1875368740 MXNOQAMKQOKCRA-IAGOWNOFSA-N 358.486 3.030 30 50 FGEA N#C[C@H]1CCCN(C(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)C1 1857708840 PSSSUOJOPLUQPM-CYBMUJFWSA-N 372.856 3.460 30 50 FGEA C=C1CC[C@@]23C(=O)O[C@@H]4O[C@@H](c5ccoc5)C[C@@]14[C@H]2CCC=C3C(=O)OC 257414405 FFWVQGRKTCTNRG-ZALSBGIRSA-N 370.401 3.456 30 50 FGEA biogenic CC[C@@H](Sc1nncn1C)C(=O)Nc1sc2c(c1C#N)CCCC2 706485 VHNVRQSIYHWIDA-GFCCVEGCSA-N 361.496 3.136 30 50 FGEA CCCC(=O)C1=C(NCc2ccccc2)CC(C)(C)[C@H](C(=O)OC)C1=O 100319008 MZFASIGMPLMMFN-SFHVURJKSA-N 357.450 3.188 30 50 FGEA C[C@H]1COCCN1CC/N=C(/O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 328604293 JGVAZLIDJQMEHD-AXHNFQJDSA-N 364.873 3.057 30 50 FGEA C=CCn1cc(-c2cn([C@H](C)c3ccc4c(c3)OCCCO4)nn2)c(C)n1 92046674 YVOJHKALKNYAPA-OAHLLOKOSA-N 365.437 3.407 30 50 FGEA CCOC1CCN(C(=O)c2cccc(-c3ccnc(OC)c3C#N)c2)CC1 299791704 FFUXJVZGVMTHQV-UHFFFAOYSA-N 365.433 3.270 30 50 FGEA C[C@](C#N)(NC(=O)c1cc(-c2ccc3c(c2)OCO3)[nH]n1)C1CCCCC1 1875365167 ANUBCYUATPLYFG-HXUWFJFHSA-N 366.421 3.398 30 50 FGEA C#C[C@@H](NC(=O)Nc1cccc2c1ccc(=O)n2C)[C@@H]1CCc2ccccc21 1875341560 XQZFVEOHEAKGQA-IEBWSBKVSA-N 371.440 3.392 30 50 FGEA COc1cccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c1OC 5996696 FPHPJOMXFHMYGS-VXLYETTFSA-N 358.398 3.272 30 50 FGEA OCC[C@H](/N=C(/O)c1ccc(F)cc1Br)C1CCOCC1 330912040 WKOPHGXFQBSFDZ-AWEZNQCLSA-N 360.223 3.070 30 50 FGEA Cn1ncc(/N=C/c2c(F)cccc2Cl)c1C(=O)NCc1ccco1 2798258 FZLXIDVYLZCBCW-AWQFTUOYSA-N 360.776 3.486 30 50 FGEA C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 126892423 HPMAQRBRLUNPCM-JTDSTZFVSA-N 373.472 3.319 30 50 FGEA O=C(Nc1ccc2c(c1)CN(CC#Cc1ccccc1)CC2)[C@H]1CCCO1 23337477 OXHQCHFLKBSRJM-JOCHJYFZSA-N 360.457 3.214 30 50 FGEA CCOc1ccc(NC(=O)N(Cc2cnn(C)c2)CC(C)C)cc1C#N 96166960 YOYFXYWDLGJABV-UHFFFAOYSA-N 355.442 3.381 30 50 FGEA CON=C(C(=O)Sc1nc2ccccc2s1)c1csc(N)n1 253475977 COFDRZLHVALCDU-UHFFFAOYSA-N 350.450 3.004 30 50 FGEA Cc1cc(C(F)(F)F)c(C#N)c(N2CCN(c3nccs3)CC2)n1 1875286282 NSXZXDNRVJWYDH-UHFFFAOYSA-N 353.373 3.064 30 50 FGEA CC#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1875377103 SFDWXEPSYXKKGH-MSOLQXFVSA-N 356.466 3.309 30 50 FGEA C=CC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 1875382770 QCNGSPRRZXXRGY-LBPRGKRZSA-N 357.479 3.108 30 50 FGEA Cc1cccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1C#N 190395404 KNVZPNXOWBEDMD-AWEZNQCLSA-N 360.401 3.466 30 50 FGEA CCOC(=O)COc1ccccc1/C=C1\N=C(SCC)SC1=O 1168955 XUTBNDWPURHNDE-XFXZXTDPSA-N 351.449 3.352 30 50 FGEA C#CCCC1(CCC(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)N=N1 2325891904 BBSLMBXSPTYDJY-AWEZNQCLSA-N 355.438 3.381 30 50 FGEA COc1ccc(CCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1 1054479 INLBIZGBTNUMNK-UHFFFAOYSA-N 371.462 3.210 30 50 FGEA COc1ccc2c(c1)C1(CC1)CN([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 329790449 TWBLNDVISZEXJR-OAQYLSRUSA-N 373.456 3.220 30 50 FGEA Cc1ccc(N=C(O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)nc1 328619902 GJPCKLAQJNZVOF-GFCCVEGCSA-N 367.375 3.345 30 50 FGEA Cc1nc(CN2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cs1 177900390 WTPUBOOHDAZRDK-UHFFFAOYSA-N 373.457 3.202 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1 17138180 NVTYVBACVOJZQO-QGZVFWFLSA-N 370.474 3.196 30 50 FGEA CC1CCN(c2nc3ccccn3c(=O)c2/C=N/Nc2ccccc2)CC1 4738084 RQGJGAMWBXPNCA-PXLXIMEGSA-N 361.449 3.377 30 50 FGEA Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\N)c1cccnc1 4811026 MKLLTKVTHPSLCO-UHFFFAOYSA-N 356.769 3.176 30 50 FGEA O=C1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C2=C(CCCC2=O)N1 8996183 YFERJAVOPZTOFK-LLVKDONJSA-N 353.205 3.075 30 50 FGEA CCCCCC(=O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O 13546152 YRTJDWROBKPZNV-ZLGNTHAYSA-N 350.455 3.459 30 50 FGEA endogenous,in-man CC(=O)NCCn1cnc(-c2ccccc2)c1-c1ccc(C#CCCO)cc1 65409153 NXYCUPQALXQCEW-UHFFFAOYSA-N 373.456 3.087 30 50 FGEA N#Cc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)c1 72429649 MCNDKTAZMZKYOC-FUHWJXTLSA-N 366.490 3.075 30 50 FGEA CC(C)c1ccc(C#N)c(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)n1 91586415 ZLEPFWYLSWRSAE-UHFFFAOYSA-N 352.482 3.448 30 50 FGEA N#Cc1ccnc(N2CCC(N[C@H](Cn3ccnc3)c3ccccc3)CC2)c1 95509367 RAASFXXUTKVHSR-OAQYLSRUSA-N 372.476 3.150 30 50 FGEA COc1cccc([C@@H](O)C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 163919296 DHMGDXKSAUDNRM-HZPDHXFCSA-N 365.216 3.416 30 50 FGEA C[C@H](O)CCC[C@@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)CC1 100013207 PPYRMVKHPFIXEU-VDZWOXOWSA-N 350.455 3.315 30 50 FGEA in-vitro Cn1cc(CN2CC[C@@H](O)c3ccccc3C2)c(-c2ccc(C#N)cc2)n1 374937349 RFLZYYNPCQUBBB-OAQYLSRUSA-N 358.445 3.398 30 50 FGEA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)C#CC(C)C 952895281 SWVGAYOSRMGFQR-FQEVSTJZSA-N 365.477 3.108 30 50 FGEA C#CCCC1(CCC(=O)N2Cc3ccccc3C3(CCN(C)CC3)C2)N=N1 2325892608 UEJAVPYYRSCONF-UHFFFAOYSA-N 364.493 3.348 30 50 FGEA C#CCCC1(CCN2C(=O)N[C@@](CC)(c3ccc(Cl)cc3)C2=O)N=N1 2325899495 HEUHLAAVWQVJRG-SFHVURJKSA-N 358.829 3.463 30 50 FGEA CCOc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OC 4867660 SOBQDGVBGDTLNX-FQEVSTJZSA-N 366.417 3.448 30 50 FGEA Cn1nc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1C(F)(F)F 2779132 ZPDIBBDISFILIX-UHFFFAOYSA-N 359.176 3.387 30 50 FGEA C[C@@H](COc1ccccc1)NC(=O)C(F)(F)C(F)(F)OC(F)(F)F 22340100 UHNQWTRVKMIQIK-QMMMGPOBSA-N 363.229 3.335 30 50 FGEA COc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1OC 4567489 SNCKEEGXLAIPJN-YBEGLDIGSA-N 356.403 3.301 30 50 FGEA Cc1ccc([C@@H]2OCCC[C@@H]2/N=C(/O)N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 329998948 TWRPPQZONJDCEM-WBKMXMRLSA-N 374.481 3.009 30 50 FGEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)c3ccccc3C)CC2)o1 170607606 XXVQDUQASPBSAV-CQSZACIVSA-N 352.438 3.257 30 50 FGEA COc1cccc(N2C[C@H](/N=C(\O)c3cc(Cl)ccc3OC)CC2=O)c1 4497099 XKUXNLWATVZLPN-CYBMUJFWSA-N 374.824 3.467 30 50 FGEA CN1CCC2(CC1)C[C@H](/N=C(/O)CCc1ncc[nH]1)c1ccccc1O2 329257054 XYJFOKYFVSVMIN-INIZCTEOSA-N 354.454 3.287 30 50 FGEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1)c1ccccc1 6813730 BRHDNULTLUWHND-IBGZPJMESA-N 371.396 3.255 30 50 FGEA C=CCN(Cc1cccc(OC)c1)C(=O)CCc1[nH]nc2c1CCCC2 55228426 LRIQJFSVBSDEJC-UHFFFAOYSA-N 353.466 3.445 30 50 FGEA C#CCOc1ccc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1 218087644 FSXGMHSTUQXTNB-OAHLLOKOSA-N 368.385 3.165 30 50 FGEA biogenic CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc(C#N)cc2F)n1C 328629468 IGPDZVCNVIIUBS-SFHVURJKSA-N 354.429 3.123 30 50 FGEA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C#N)C1 17074920 FZBNSYSZENYNEG-LLVKDONJSA-N 364.467 3.201 30 50 FGEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1CCCCC1)C2 14531382 AOEFIQDATARMGA-GOSISDBHSA-N 370.541 3.332 30 50 FGEA N#Cc1cc(CC(=O)NCCc2cc(C3CC3)on2)ccc1Br 2325792661 AZRULTWWVRHYMF-UHFFFAOYSA-N 374.238 3.088 30 50 FGEA C=CCN(c1ccc(C(=O)Nc2cc(C)ccc2OC)cc1)S(C)(=O)=O 2876118 GFVFAHQFJBPUEZ-UHFFFAOYSA-N 374.462 3.208 30 50 FGEA O=C1C(Nc2cccc(Cl)c2)=C(N2CCOCC2)C(=O)c2ccccc21 4725376 UQZRODUAHYUIAF-UHFFFAOYSA-N 368.820 3.375 30 50 FGEA C=CCOc1c(Br)cc(CNn2cn[nH]c2=S)cc1OC 6603452 MKVJVTQTGYJZIF-UHFFFAOYSA-N 371.260 3.020 30 50 FGEA N#Cc1cccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)n1 72428908 JNVCSDNVGOMYRZ-JOCHJYFZSA-N 360.461 3.362 30 50 FGEA N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)cc1 95529782 DRTVCPJYZRMSSB-FQEVSTJZSA-N 371.444 3.218 30 50 FGEA COc1cc(OC)c2cc(/C=N/Nc3ccc(C(=O)O)cc3)cnc2c1 1875252780 WDHZVQAYIZOZJG-SRZZPIQSSA-N 351.362 3.396 30 50 FGEA C#CCCC1(CCC(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)N=N1 952881533 PNEMYFRPYMBDAG-MRXNPFEDSA-N 372.856 3.259 30 50 FGEA N#Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)o1 2881039 RDJMSMRFPPFGAT-UHFFFAOYSA-N 366.402 3.251 30 50 FGEA COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC 4832434 MELLWLMZFAEGSK-GQCTYLIASA-N 356.374 3.380 30 50 FGEA Cc1csc(C(C)(C)NC(=O)CCc2c(C)nn(CCC#N)c2C)n1 116145492 CWOIASKJFRKLCE-UHFFFAOYSA-N 359.499 3.163 30 50 FGEA CCCC(=O)C1=C(NCc2ccccc2)CC(C)(C)[C@@H](C(=O)OC)C1=O 100319011 MZFASIGMPLMMFN-GOSISDBHSA-N 357.450 3.188 30 50 FGEA N#Cc1cnn2c1N[C@H](c1ccc3c(c1)OCCO3)C[C@@H]2C(F)(F)F 2766551 WFBGFAZTZNQVQP-SMDDNHRTSA-N 350.300 3.186 30 50 FGEA N#Cc1cc(F)cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 77287265 BFEGKCQOBBZZMD-UHFFFAOYSA-N 365.452 3.478 30 50 FGEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2cc(F)ccc2Cl)cc1 1565529325 IYDPBHILDALVLY-ROUUACIJSA-N 374.799 3.317 30 50 FGEA O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)c2ccc(Cl)cc2)=C1O 5595910 BEHUJWPFAOYRBW-CQSZACIVSA-N 358.737 3.114 30 50 FGEA C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC=C)C1 14742079 DGJRKPHZRSOQNT-SFHVURJKSA-N 368.525 3.227 30 50 FGEA N=C(NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1nonc1N 2989631 JJKXDJLNNVXIAK-UHFFFAOYSA-N 365.180 3.168 30 50 FGEA C=CCc1c(C)nc(N)nc1NCc1cc(-c2ccc(OC)cc2)no1 95375629 ZPOPBHQTQQWGAC-UHFFFAOYSA-N 351.410 3.371 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3ccccc31)CC2 91410163 HJXRGNSQXVJCSR-IBGZPJMESA-N 352.478 3.134 30 50 FGEA C=CCOc1ccccc1NC(=O)N1CCC[C@H](c2cc(O)nc(C)n2)C1 299766823 SIEQVCUGCPCAQX-HNNXBMFYSA-N 368.437 3.467 30 50 FGEA C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 170594720 IEKBOLPFKRBKGK-AWEZNQCLSA-N 355.388 3.355 30 50 FGEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCCCCCC1)C2 14748322 QYYBSJNYIRGDKM-QGZVFWFLSA-N 358.530 3.331 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(c3cn4ccsc4n3)CC2)N=N1 2325898422 BGWADRQOVLIQOX-UHFFFAOYSA-N 355.467 3.458 30 50 FGEA C#CCCC1(CCC(=O)N[C@H]2CCN(Cc3scnc3C)C[C@@H]2C)N=N1 2325900039 ITSRWJBOEFYIPV-HOCLYGCPSA-N 373.526 3.134 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)[C@@H]1c1ccccc1F 1253539 PPKIYTKGLYAIHY-MRXNPFEDSA-N 355.321 3.013 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccccc1 2486150 GUYZIOBAIWZKLR-GOEBONIOSA-N 356.447 3.455 30 50 FGEA C=C(C)CN(CC)C(=O)C1CCN(Cc2cc(OC)ccc2OC)CC1 4725527 CVEAYYUBPHFQKU-UHFFFAOYSA-N 360.498 3.340 30 50 FGEA C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl 22339111 PGQGGNDQUQDCRM-VHSXEESVSA-N 352.645 3.300 30 50 FGEA Cc1cnn(CC/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)c1 328614981 XLODSGAMXQNNMA-INIZCTEOSA-N 361.446 3.212 30 50 FGEA N#Cc1cc(C(F)(F)F)ccc1N1CCC(N2C(=O)CCCC2=O)CC1 372314285 BDBHQOKMEKDXGS-UHFFFAOYSA-N 365.355 3.085 30 50 FGEA Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 295511477 PNBSMSQGAIBBDC-KZULUSFZSA-N 365.433 3.237 30 50 FGEA CCOC(=O)CSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2 18116252 GAVJTQZHXAXMPS-UHFFFAOYSA-N 359.495 3.478 30 50 FGEA COc1cccc([C@@H]2CCCN2S(=O)(=O)Cc2ccc(C#N)cc2)c1 253417941 IXYRFAXSKKVPHN-IBGZPJMESA-N 356.447 3.234 30 50 FGEA CC(C)(C#N)c1ccc(CN2C(=O)Nc3ccccc3S2(=O)=O)cc1 2325741778 IEMQJTAPSINZNN-UHFFFAOYSA-N 355.419 3.224 30 50 FGEA CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc3[nH]cc(C#N)c3c2)C1 2325858324 INQCFJUOVLVCAD-IBGZPJMESA-N 358.445 3.386 30 50 FGEA C=C(Br)CN(C)CC1CCN(C(=O)c2ccccc2)CC1 2325867752 FJVOVRGEKAEHJE-UHFFFAOYSA-N 351.288 3.379 30 50 FGEA C=CCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 2959970 MIICUIKEVZJVPN-UHFFFAOYSA-N 372.490 3.308 30 50 FGEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1CCCCC1 170004386 OXMYPPQBTJJROZ-UHFFFAOYSA-N 359.275 3.057 30 50 FGEA Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 331760048 AUKUSGLTEAUBCW-SNVBAGLBSA-N 352.316 3.221 30 50 FGEA N#Cc1cccc(NC(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 91270578 HLLVLLIOPQWUSR-UHFFFAOYSA-N 366.465 3.205 30 50 FGEA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(OC)ccc1O 3122953 BMYDPYFIJBSWEN-FNLSEGDXSA-N 352.390 3.085 30 50 FGEA CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC)cc3)o2)cc1 6482036 UKOQVLAXCBRRGH-UHFFFAOYSA-N 364.405 3.147 30 50 FGEA investigational COc1nccc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)c1C#N 77392582 CFGMWDLPKYUTRH-OAQYLSRUSA-N 368.481 3.113 30 50 FGEA Cn1ncc(CN2CCc3[nH]cnc3[C@@H]2c2cccc(C#N)c2)c1C1CC1 72426997 MZEDEWJPXLPMQH-NRFANRHFSA-N 358.449 3.040 30 50 FGEA N#Cc1cccc(NC(=O)N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)c1 91907965 UVEYDPDWTWAXED-OAQYLSRUSA-N 366.465 3.347 30 50 FGEA CCOC(=O)c1ccc(C[C@H]2S/C(=N\c3cccc(C)n3)NC2=O)cc1 5791034 PBXBRYFJODBIGZ-OAHLLOKOSA-N 369.446 3.029 30 50 FGEA C=C(C)CN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NC(C)C)c1=O 12034345 FZNVTHXAMYXKRA-UHFFFAOYSA-N 373.497 3.140 30 50 FGEA Cc1cccc(/N=C(\S)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C 4574661 NCDJPTZODCZVFS-UHFFFAOYSA-N 374.554 3.027 30 50 FGEA CC(C)c1cc(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N 19682075 IYLBVVFAHQUHRL-UHFFFAOYSA-N 363.465 3.227 30 50 FGEA O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C2=C(CCCC2=O)N1 8996184 YFERJAVOPZTOFK-NSHDSACASA-N 353.205 3.075 30 50 FGEA C=CCN(Cc1ccccc1OCC)C(=O)[C@@H]1CC(=O)OC12CCCC2 55153284 KVCJVHRIXKGFRA-KRWDZBQOSA-N 357.450 3.476 30 50 FGEA C=CCN(c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1)S(C)(=O)=O 10449873 MVNOLPDMSFWIOD-HNNXBMFYSA-N 370.474 3.230 30 50 FGEA CC(=O)Nc1cccc(-c2cc(-c3cc(C#N)n(C)c3)c(C#N)c(N)n2)c1 71747025 WULGDFXACVPDPQ-UHFFFAOYSA-N 356.389 3.038 30 50 FGEA CN1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3cnc(-c4cccs4)nc3)c12 1565507055 PZSLPCLWZVBFCB-DOMZBBRYSA-N 374.473 3.412 30 50 FGEA Cn1nc(-c2nc(C3CCOCC3)nn2-c2ccc(C#N)cc2)cc1C1CC1 1857670585 WHMPFXRLVPDXGD-UHFFFAOYSA-N 374.448 3.311 30 50 FGEA CN1CC[C@H](N2CCC(/N=C(/O)C3(Cc4ccccc4)CCC3)CC2)C1=O 329187716 QECRMFAUWHXEES-IBGZPJMESA-N 369.509 3.051 30 50 FGEA COc1ccc(/C=C/C(=O)c2nn(C)cc2Cl)cc1Cn1cccn1 6827979 IIFFXIBQIHEOFT-GQCTYLIASA-N 356.813 3.223 30 50 FGEA N#Cc1cccnc1N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72150586 PNDKCDYAPUTIAZ-PWIZWCRZSA-N 366.415 3.298 30 50 FGEA C=CCN1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95521678 KDPYKSYEJJGGNS-OAQYLSRUSA-N 355.526 3.009 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1cccc(F)c1)CC2 91620992 FRVVETWKNMOACA-UHFFFAOYSA-N 358.457 3.176 30 50 FGEA C=CCn1cc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)cn1 71759422 XDSIWZVLHMYQOS-UHFFFAOYSA-N 364.478 3.375 30 50 FGEA COCCN(Cc1ccsc1)C(=O)c1cccc(C#CC(C)(C)O)c1 952969344 DSKHKIJXBXJGTM-UHFFFAOYSA-N 357.475 3.159 30 50 FGEA O=C(C[C@@H]1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccc(F)cc1 5447867 CDKGJLWDJYWMRV-AWEZNQCLSA-N 362.430 3.062 30 50 FGEA CC1(C)OB(c2ccc(NC(=O)Cc3ccccc3)c(F)c2)OC1(C)C 405036687 VYXOWEXXNFTJBF-UHFFFAOYSA-N 355.218 3.306 30 50 FGEA N#CC1(c2ccc(F)c(-c3cccc(S(=O)(=O)CCC(=O)O)c3)c2)CC1 2325787126 CZMNNVHHJXYEQD-UHFFFAOYSA-N 373.405 3.296 30 50 FGEA C#CCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 1151296 ITIGNQIWFUOALW-HSZRJFAPSA-N 355.393 3.280 30 50 FGEA C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 2866329 AGNCKKRFONYJFC-UHFFFAOYSA-N 364.854 3.365 30 50 FGEA O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 4987455 ADDQEJQHKRSVDG-JKSUJKDBSA-N 361.397 3.420 30 50 FGEA COc1ccc(-n2cc(-c3cc(-c4c[nH]c(C)n4)c(C#N)c(N)n3)cn2)cc1 71753380 AGXGSTNWQVICAS-UHFFFAOYSA-N 371.404 3.095 30 50 FGEA COc1cc([C@@H](C#N)NC(=O)[C@@H](C)c2ccsc2)cc(OC)c1OC 157983343 CRQGOQZUHJCBEU-SMDDNHRTSA-N 360.435 3.258 30 50 FGEA CO/C(S)=N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 15659950 QEPTWSWBHJTZJR-UHFFFAOYSA-N 368.867 3.408 30 50 FGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(Cc2nnc(C)s2)C1 1875244392 RSKKDEVHMHGQJD-OAHLLOKOSA-N 358.467 3.018 30 50 FGEA CCN1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 4673171 AFCWXHITLOTFIZ-UHFFFAOYSA-N 370.503 3.125 30 50 FGEA CC1(C)CC(=O)C=C(C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)O1 67967918 WDACKHIBARKAPC-UHFFFAOYSA-N 356.422 3.393 30 50 FGEA O=C(CO/N=C1\CCCc2nonc21)Nc1ccc(Cl)cc1Cl 1072722 RNLNCAAATRHSSD-WOJGMQOQSA-N 355.181 3.072 30 50 FGEA Nc1ccc(C(=O)OCC#Cc2ccc(Cl)cc2)cc1OCCCCO 860314564 UTHKSENIRKMAQQ-UHFFFAOYSA-N 373.836 3.282 30 50 FGEA Cn1cc(C[N@@]2C[C@H]2COc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 1875385465 UBYHMKAZTQNWDC-BVZFJXPGSA-N 360.417 3.347 30 50 FGEA Cc1c(N[C@H](C)C(C)C)cccc1/C(O)=N/C[C@@H](CO)Cc1cnn(C)c1 328589823 IRENTXCMNBEFGN-AEFFLSMTSA-N 372.513 3.341 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(O)c1 4820185 ZWZPOCILNRPHLH-MRXNPFEDSA-N 373.430 3.069 30 50 FGEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccs1 100594001 YPAPIJFUXOXCKD-UHFFFAOYSA-N 359.447 3.441 30 50 FGEA COc1ccc(-c2cccc(C(=O)O)c2)cc1B1OC(C)(C)C(C)(C)O1 170004341 XCAOZCIBIUPTBY-UHFFFAOYSA-N 354.211 3.360 30 50 FGEA C=CCNC(=O)CSc1nccc(-c2ccc(Br)cc2)n1 2731234 XIZVSJWTKRZFIZ-UHFFFAOYSA-N 364.268 3.300 30 50 FGEA Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1Br 2782271 GFWIUUIWPCHPLC-UHFFFAOYSA-N 365.256 3.015 30 50 FGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2c(F)cccc2Cl)C1 328631161 KDCAMFMKASMDMA-UHFFFAOYSA-N 354.809 3.111 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc(-c3ccccc3OC)nc2O)N=N1 2325891723 YDIGBCRTGURFMY-UHFFFAOYSA-N 364.405 3.158 30 50 FGEA C#CCCC1(CCC(=O)Nc2cccc3c2ccn3CC(=O)OC)N=N1 2325892910 PPTIIFDZMTVXFI-UHFFFAOYSA-N 352.394 3.109 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccnc1 6726594 QZWWMWVOQQIREL-UHFFFAOYSA-N 371.510 3.457 30 50 FGEA Cc1ncsc1CCNC(=O)N1CCC(C#N)(c2ccccc2)CC1 426410438 GIVAINDGCXZBSJ-UHFFFAOYSA-N 354.479 3.261 30 50 FGEA COc1cc(C#N)ccc1S(=O)(=O)N[C@]1(C)CCCc2ccccc21 332400043 XVDJTPSHAIXRFY-LJQANCHMSA-N 356.447 3.097 30 50 FGEA C=C(CN1CCC[C@@H]1c1ccccc1Cl)C(=O)N[C@H](C)c1nncn1C 2325826034 MLYJBBKCCUXHJH-RHSMWYFYSA-N 373.888 3.039 30 50 FGEA CCOc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 791091 IUHOTXMXAJRTME-UHFFFAOYSA-N 351.431 3.412 30 50 FGEA C=CCNc1cc(N2CCN(C(=O)c3cccs3)CC2)ccc1[N+](=O)[O-] 4740958 VEBDRVNULDZADE-UHFFFAOYSA-N 372.450 3.217 30 50 FGEA CCCN(CC#Cc1ccccc1)C(=O)c1cc(C(C)C)n2ncnc2n1 65463257 RGPFEWCZGVJAGN-UHFFFAOYSA-N 361.449 3.152 30 50 FGEA C=CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccc(OC)cc2)SC1=S 6606536 FHQNFURQUXNTKT-ZROIWOOFSA-N 357.460 3.473 30 50 FGEA C[C@H]1C[C@H](c2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N 332662787 NMLAYRLSBPWGQK-KSSFIOAISA-N 358.438 3.405 30 50 FGEA Cc1nc(N[C@H]2CCCN(Cc3ccccc3F)C2)c(C#N)cc1C(=O)O 1506424816 NNZQUZFJDZVGRK-INIZCTEOSA-N 368.412 3.176 30 50 FGEA C=CCOc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1OC 254809095 VNDTVULQITUODT-UHFFFAOYSA-N 364.426 3.030 30 50 FGEA N#Cc1ccc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)cc1Cl 818143998 BAAHKDVWADTJCS-GOSISDBHSA-N 358.829 3.046 30 50 FGEA C#CCCC1(CCC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)N=N1 2325892176 CWGSYLASZYQKMI-UHFFFAOYSA-N 372.432 3.392 30 50 FGEA C#CCCC1(CCC(=O)N2CC(N(Cc3ccccc3)C3CC3)C2)N=N1 2325900142 MGQMTEJZAJDRQS-UHFFFAOYSA-N 350.466 3.218 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Br)cc1 1187113 OKTXZRPKDRUVNY-HNNXBMFYSA-N 373.206 3.333 30 50 FGEA CCOc1ccc(-c2nnc(S)n2N/N=C/C=C/c2ccco2)cc1 9012897 CEYSHFLMACTLQB-DXVNTNFESA-N 355.423 3.468 30 50 FGEA C=C(C)COc1ccccc1NC(=O)N[C@H]1CCCN(c2cnccn2)C1 299793105 JWMPUUQYRZAVEP-INIZCTEOSA-N 367.453 3.222 30 50 FGEA CCOC(=O)CCC(=O)N1C[C@H](CC)S/C1=N\c1cccc(OC)c1 1875254931 WUJMUBMVPWYSAE-IJYGLTAASA-N 364.467 3.380 30 50 FGEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCCc2ccccc2)cc1 1565513156 KXPWQEFYVYPFAA-SFTDATJTSA-N 364.445 3.234 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccccn1 6698678 DWZCYPDWTZRXIM-UHFFFAOYSA-N 371.510 3.457 30 50 FGEA CC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)c2ccccc2C1=O 1072282 GJNBCPRMUMTMJD-UHFFFAOYSA-N 373.412 3.250 30 50 FGEA Cc1noc(C)c1CO[C@@H]1CCN(CCCOc2ccc(C#N)cc2)C1 368857212 ZJKPIUKNYVSCIW-LJQANCHMSA-N 355.438 3.223 30 50 FGEA O=CN1CCCN(CC(O)=Nc2cc(C(F)(F)F)ccc2Cl)CC1 328592334 DUCCSUNILSBIKG-UHFFFAOYSA-N 363.767 3.111 30 50 FGEA N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)cc1 92078851 SKAKWNMVAVELLI-IBGZPJMESA-N 371.444 3.218 30 50 FGEA N/C(=N\C(=O)COc1ccc2ccccc2c1)Nc1nc2ccccc2o1 4592220 LABUUDDKZNVFTC-UHFFFAOYSA-N 360.373 3.313 30 50 FGEA O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@@H]1n1nnc([N+](=O)[O-])n1 1079202 RRNWTPYCEVWZSQ-CJNGLKHVSA-N 367.390 3.024 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 1138394 QNTRMUBMVPJGPU-UHFFFAOYSA-N 351.431 3.313 30 50 FGEA Cc1cc(F)cc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(C#N)nc3)C2)c1 1875340518 GDVHNFGOGPYVSJ-PBHICJAKSA-N 352.413 3.411 30 50 FGEA N#Cc1ccnc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3)C2)c1 1565506103 PTLGHDVCRIAFGV-UXHICEINSA-N 360.461 3.013 30 50 FGEA COc1ccc(OC)c(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)c1 15659407 RVSVSGNHGWEPSX-JCMHNJIXSA-N 353.466 3.164 30 50 FGEA CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1O 804258 NETOHLVPMQJQPO-QGZVFWFLSA-N 354.410 3.041 30 50 FGEA Cc1nn(CCCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1[N+](=O)[O-] 4148005 NFYSMBFHGLLEEH-UHFFFAOYSA-N 373.438 3.249 30 50 FGEA CCc1cc(C)cc(OCCOc2cccc(/C=N/n3cnnc3)c2)c1 2958960 KZVRHRWGNXVNDL-YDZHTSKRSA-N 350.422 3.489 30 50 FGEA C=CCN(Cc1ccccc1OCC)C(=O)c1c(C)nc2ncccn12 55054361 KIXPIPPNIILCJP-UHFFFAOYSA-N 350.422 3.265 30 50 FGEA COc1cncc([C@@H](Nc2nc(C(C)C)ccc2C#N)[C@H]2C[C@H](O)C2)c1 218947423 JSMZADDYTGHYMI-GMBSWORKSA-N 352.438 3.404 30 50 FGEA COCCn1cc([C@H]2OCC[C@@H]2/C(O)=N/[C@@H](C)Cc2cccs2)cn1 328644360 ZELPRIOPPBJFSR-RRQGHBQHSA-N 363.483 3.256 30 50 FGEA C=CCCN1CC[C@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 72156186 BWLQRZNITSZBHW-OAQYLSRUSA-N 358.482 3.094 30 50 FGEA C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 936069309 IOPBGRHISQTQKP-ZCYQZCRESA-N 360.406 3.103 30 50 FGEA biogenic Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C#N)cc1)c1ccccc1F 1875253364 AMIYUUZGJBOXQV-QWFCFKBJSA-N 374.419 3.440 30 50 FGEA CC(=O)C/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C 5884954 SDUCRXPANNACSG-HEHNFIMWSA-N 354.366 3.289 30 50 FGEA CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC 102425208 POUYHGGAOYKPBF-PQXWDWFGSA-N 373.400 3.374 30 50 FGEA N#Cc1ccccc1CN1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72147795 WWGCGYWTJDBTSF-YTFSRNRJSA-N 359.473 3.326 30 50 FGEA N#Cc1ccc(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)nc1 82136700 CALBZQJZYPUZKH-UHFFFAOYSA-N 350.470 3.300 30 50 FGEA C=CCCC(=O)NCCc1nnc(SCc2cccc(Cl)c2)n1C 14969028 DULHAZPMNWZELS-UHFFFAOYSA-N 364.902 3.386 30 50 FGEA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C(\N)c1cccnc1 4171380 GMKDSDJIPAINCT-SECBINFHSA-N 354.193 3.019 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)o1 65380939 WPDRIFGXNUUQFO-UHFFFAOYSA-N 366.442 3.456 30 50 FGEA CC[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)c1ccnn1C 534640074 YENGAYGNIMKSGI-KRWDZBQOSA-N 351.454 3.138 30 50 FGEA N#Cc1cc(F)cc(C(=O)N(CCO)CC23CC4CC(CC(C4)C2)C3)c1 1506415481 YKTFVOITDULOCH-UHFFFAOYSA-N 356.441 3.348 30 50 FGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(Cc2c(C)noc2C)C1 1875240831 HDVFXQHPIOVYGT-KRWDZBQOSA-N 355.438 3.463 30 50 FGEA N#Cc1cccc(-c2cc(NS(=O)(=O)c3ccc4c(c3)CCC4)n[nH]2)c1 2325871349 IUBIARSLWUELAU-UHFFFAOYSA-N 364.430 3.238 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)N=N1 2325892447 NUKQLPWVHAMWCT-UHFFFAOYSA-N 367.453 3.155 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1 862960 FPMITENLWHRAQS-UHFFFAOYSA-N 351.435 3.257 30 50 FGEA C=CCC(C)(C)CN1CCN(C)C2(CCN(C(=O)N(CC)CC)CC2)C1 67459365 OIFJHORJHRQATK-UHFFFAOYSA-N 364.578 3.133 30 50 FGEA Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3C#N)nc21 716541 RPHJYWMIFUXJGX-UHFFFAOYSA-N 374.429 3.119 30 50 FGEA Cc1cc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)c(C#N)c(C)n1 328627088 FUVJNXKXDNUPAY-INIZCTEOSA-N 355.511 3.293 30 50 FGEA N#C[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)C1 331644145 SNDBBCKRYZBCQA-GHJWDPDVSA-N 351.809 3.254 30 50 FGEA O=C(O)c1cccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)c1 126437331 HTYCPXRGDVEFHH-BQYQJAHWSA-N 355.365 3.257 30 50 FGEA N#Cc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1 82108335 RCWZQAPAZCJGCZ-UHFFFAOYSA-N 373.334 3.066 30 50 FGEA C=CC[C@]1(C(=O)O)CCCN(Cc2cnc(NCc3ccccc3)nc2)C1 92020285 FTXVDMGMWPDFJK-NRFANRHFSA-N 366.465 3.332 30 50 FGEA CC(C)(C)OC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 170019710 VAYYEUXFQWTMJJ-UHFFFAOYSA-N 351.227 3.150 30 50 FGEA in-vitro CCNC(=S)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 2542543 GEOSHSULGXFSKQ-XFSMVHDFSA-N 353.447 3.123 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)C2)nc1 332974566 FQJVTTWSGDYXQM-XMTFNYHQSA-N 354.454 3.085 30 50 FGEA C=CC(=O)NCc1ccc(C(=O)N2C[C@H]3CCCCC[C@@]3(C#N)C2)cc1 2325887981 GULYWYUZHRDZQR-WIYYLYMNSA-N 351.450 3.035 30 50 FGEA CC/N=C1\S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CC 100203752 GBRVMTXTLBRRKE-FWORZXNSSA-N 373.400 3.374 30 50 FGEA C=CCOc1ccccc1CN1CCN(Cc2ccsc2)[C@@H](CCO)C1 20998129 QXKIAKFAVZJCJE-FQEVSTJZSA-N 372.534 3.382 30 50 FGEA CC1(C)OB(c2ccc(N3CCCC3=O)cc2C(F)(F)F)OC1(C)C 170005700 HPCJIAZDNKHMDF-UHFFFAOYSA-N 355.165 3.131 30 50 FGEA Cc1n[nH]c(C)c1-c1cc(-c2cc(CN(C)C)cs2)nc(N)c1C#N 71419228 JTFCQVVZFJBZAN-UHFFFAOYSA-N 352.467 3.333 30 50 FGEA C=CCOc1ccccc1CNC(=O)c1ccc(N2CCOCC2)c(F)c1 110423416 CTGWHTTVXTZTGK-UHFFFAOYSA-N 370.424 3.157 30 50 FGEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)n[nH]c21 1857529141 WVJLBSMTNWJNLI-KGLIPLIRSA-N 362.433 3.233 30 50 FGEA N#Cc1cc2c(nc1SCC(=O)NCc1ccccc1)C1CCN2CC1 4708047 RRPOCEYOQJTHHB-UHFFFAOYSA-N 364.474 3.059 30 50 FGEA COc1ccc(CN/C(=N/c2ccccc2)S[C@H]2CC(O)=NC2=O)cc1 18010391 DXCHRTPJBRKGQE-INIZCTEOSA-N 369.446 3.461 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccn1 2384852 SYQNBTYYUKOFKM-UHFFFAOYSA-N 369.425 3.396 30 50 FGEA CCc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CCC3)cc1 3902278 XMSDQVQDTIJCKX-HXUWFJFHSA-N 369.461 3.407 30 50 FGEA C=CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4842892 UGYMLHVVDKUNQL-UHFFFAOYSA-N 367.405 3.122 30 50 FGEA N#C[C@@H]1N(C(=O)c2cccc([C@@H]3CCOC3)c2)CCC[C@@]12CCCCO2 329876202 HPRILICYNCGKNI-DYXWJJEUSA-N 354.450 3.258 30 50 FGEA COc1ccccc1C/C(N)=N/OC(=O)COc1cccc2ccccc12 4680670 BLKLEZSZGZHGRL-UHFFFAOYSA-N 364.401 3.285 30 50 FGEA CCCCOc1ccc(C(=O)O/N=C2/C(=O)N(C)c3ccccc32)cc1 2942876 KEYHPUMPURDEAR-DYTRJAOYSA-N 352.390 3.403 30 50 FGEA CCOc1ccc(OC)cc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 2987215 NYTJCCIUQQWOGP-WOJGMQOQSA-N 368.842 3.060 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)s1 55226469 DVKYOPYLUFQDRJ-UHFFFAOYSA-N 372.509 3.327 30 50 FGEA CCCCCOc1cc(N)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003330 SHIZZQOFPJPJKC-UHFFFAOYSA-N 350.224 3.045 30 50 FGEA CC(C)[C@H]1CN(c2cccc(C#N)n2)CCC(=O)N1Cc1ccc(F)cc1 71479466 IILKAAPBTFOIFV-LJQANCHMSA-N 366.440 3.356 30 50 FGEA COc1ccc([C@@H]2CN(c3cccc(C#N)n3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72151572 HDLDIRSKYYMXOW-KSEOMHKRSA-N 360.461 3.028 30 50 FGEA O/C(=N/C[C@@H]1COc2ccccc2O1)N1CCCC[C@H]1c1nccs1 329915185 CXXYZCNLALOZSZ-KGLIPLIRSA-N 359.451 3.424 30 50 FGEA N#Cc1ccnc(N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)c1 426372103 OMZLXQANLJICDG-OAQYLSRUSA-N 352.482 3.352 30 50 FGEA Fc1cccc(CN2CCN(/C(S)=N\CCc3ccccc3)CC2)c1 13497024 MQIREAFNAHBSLG-UHFFFAOYSA-N 357.498 3.472 30 50 FGEA N#Cc1ccc(O[C@H]2CCN(C(=O)CC=Cc3ccccc3F)C2)nc1 1857532879 SYNLIPUJYDOHBG-KRWDZBQOSA-N 351.381 3.176 30 50 FGEA N#Cc1ccc(NC(=O)CCN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Cl 140526393 BXOROAQRDCDKSP-BEFAXECRSA-N 361.873 3.167 30 50 FGEA CCOC(=O)/C(C(=O)c1ccc(OC)cc1)=C(/N)C(Cl)(Cl)Cl 100963407 ZOSHXZLTFKLPFC-ZRDIBKRKSA-N 366.628 3.024 30 50 FGEA CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 122158550 HKFSLSROBHHZOK-RISCZKNCSA-N 368.264 3.401 30 50 FGEA C=CCN1CC[C@H](CNC(=O)c2cccc(-c3cccc(CO)c3)c2)C1 426707553 YAEKHOUJJMXVRW-GOSISDBHSA-N 350.462 3.084 30 50 FGEA C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(O)c(OC)c3)C2)n1C 299801107 XYENKTJBOLUKCR-OAHLLOKOSA-N 374.510 3.187 30 50 FGEA CC#CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 1875377104 SFDWXEPSYXKKGH-QZTJIDSGSA-N 356.466 3.309 30 50 FGEA CSCCCN1C(=O)CC[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]21 1565505935 MKKNSRRDUGIEED-MOPGFXCFSA-N 357.523 3.124 30 50 FGEA CCN(CC)c1ccc(/C=N/N2CCN(c3ccccc3)CC2)c(O)c1 1193610 XCDJQBRDKCTHMT-OQKWZONESA-N 352.482 3.395 30 50 FGEA COC(=O)c1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 19791016 SNXKIOJYGMAVFF-HZHRSRAPSA-N 365.477 3.242 30 50 FGEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)c(OC)c1 1173868 ASYQMTCCGSMVMU-IBGZPJMESA-N 367.401 3.188 30 50 FGEA biogenic COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 6812971 WZXOTFNHWYABNO-SFHVURJKSA-N 369.392 3.359 30 50 FGEA C=CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccncc1 10231633 VCQANSVJKIDVIP-HUUCEWRRSA-N 371.510 3.123 30 50 FGEA COc1ccc(OC[C@H]2CCCN(C(=O)c3ccccc3C#N)C2)cc1 77375064 RHKFJSOYUNQROI-INIZCTEOSA-N 350.418 3.498 30 50 FGEA N#Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1 12864153 DDHMBFGGQACEMB-UHFFFAOYSA-N 351.381 3.188 30 50 FGEA Cc1nn(C(=O)OC(C)(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 169745255 FQAORYQTZLGOBK-UHFFFAOYSA-N 358.247 3.427 30 50 FGEA N#CC1(CS(=O)(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)CCCC1 333112257 SIZJOLLBLKAUKZ-LBPRGKRZSA-N 358.385 3.095 30 50 FGEA CC(C)(C#N)c1ccccc1CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 133771349 QCZBBMNQCIFQJV-QHCPKHFHSA-N 373.456 3.467 30 50 FGEA N#Cc1ccc(N2CCC(N[C@H](CO)c3c(F)cccc3F)CC2)cc1 367736570 GSGLNBOKAZDHEF-LJQANCHMSA-N 357.404 3.128 30 50 FGEA N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 892495767 FGZDXAJDHRGYQK-KHMNTURCSA-N 367.232 3.456 30 50 FGEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)cc1 2542805 VPPNIDXBBIMJTP-FYJGNVAPSA-N 371.462 3.122 30 50 FGEA CC(C)(C)OC(=O)NC1(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 200311885 LJHCQZRGLWDXOP-UHFFFAOYSA-N 359.275 3.500 30 50 FGEA O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4488917 FRCMUJUWUASRDP-CHWSQXEVSA-N 367.426 3.481 30 50 FGEA C=C(C)COc1ccc(C(=O)NCCSc2nnc(C)n2CC)cc1 55385282 FKVKWDVXKVQVSG-UHFFFAOYSA-N 360.483 3.083 30 50 FGEA CCCNC(=O)c1c(/N=C/c2ccc(Br)s2)cnn1C 2798017 JJLYFBQCGLAPKN-FRKPEAEDSA-N 355.261 3.135 30 50 FGEA C=CCN(CC=C)C(=S)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 8275701 JHBLQFXGXIYKTI-UHFFFAOYSA-N 368.480 3.001 30 50 FGEA O=S1(=O)CCC[C@H](/N=C(/O)N2CCC[C@H]2c2cccc3ccccc23)C1 329818618 GHDVORCQIGKJDU-LPHOPBHVSA-N 372.490 3.468 30 50 FGEA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1ncccc1C#N)CC2 275522788 DEWKNSPYEHHFTH-GOSISDBHSA-N 366.490 3.422 30 50 FGEA CCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 17085244 JTBIQXHXVAPUNR-BSBNDGSWSA-N 353.447 3.349 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)N=N1 2325887350 IZTQNWZRTRLJSJ-UHFFFAOYSA-N 359.336 3.370 30 50 FGEA CC[C@@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@H](C)C3)c2C#N)C1 20581417 KUIIAAFIFVHUFW-HZSPNIEDSA-N 361.511 3.182 30 50 FGEA CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(C#CC(C)(C)O)o1 65393687 SYIBIUNMGFTAID-UHFFFAOYSA-N 358.463 3.010 30 50 FGEA Cc1cc(C)n(-c2ccc(/C(N)=N/OCc3cnc4ccccc4c3)cn2)n1 253396766 DKFPYECLUMBLTA-UHFFFAOYSA-N 372.432 3.269 30 50 FGEA Cc1nn(C)cc1-c1cc(-c2ccc(Cn3cccn3)cc2)c(C#N)c(N)n1 71440528 ZQGZSBNCOJDMKZ-UHFFFAOYSA-N 369.432 3.156 30 50 FGEA CC(C)(C)n1cc(C#N)c(NC(=O)CCc2nnc(C3CCCC3)o2)n1 121413798 SXATZPRIQBRXFY-UHFFFAOYSA-N 356.430 3.122 30 50 FGEA CO[C@@H]1CN[C@@H](c2nc(C(C)(C)/N=C(/O)c3cccc(Cl)c3)no2)C1 328630364 JHVYEAQTSZSCMT-QWHCGFSZSA-N 364.833 3.012 30 50 FGEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2cc(C)nc3ccccc23)C1 328614136 VLZPSJJLHHOYJP-IBGZPJMESA-N 351.410 3.317 30 50 FGEA CC[C@H]1CN(C(=O)c2cccc(C#N)c2)CCC(=O)N1Cc1ccccc1 71755378 SQXVJIUCCYNBTB-FQEVSTJZSA-N 361.445 3.212 30 50 FGEA C=CCn1c(SCC(=O)OC)nnc1[C@@H](C)Oc1ccc(C)cc1C 17074444 GBJZQJVPPVNTGD-CQSZACIVSA-N 361.467 3.486 30 50 FGEA CC(C)CN(CC(C)C)c1ccc(B2OCC(C)(C)CO2)cc1[N+](=O)[O-] 222649646 WLYLKNBRNHAUTO-UHFFFAOYSA-N 362.279 3.481 30 50 FGEA C[N@@+]1(CC(=O)c2ccc([N+](=O)[O-])cc2)CCc2[nH]c3ccccc3c2C1 245311696 QMLGJIOOYKINLZ-HSZRJFAPSA-N 350.398 3.462 30 50 FGEA N#CCCOCCN1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952892220 LQUAARHXDZWPQX-UHFFFAOYSA-N 354.429 3.392 30 50 FGEA C[C@@H](NC(=O)C#CC1(C(F)(F)F)CC1)c1ccc2c(c1)CCC(=O)N2 2325805662 ZWLZBCFWQANOIW-LLVKDONJSA-N 350.340 3.094 30 50 FGEA O/C(=N/[C@@H]1CCc2cc(Cl)ccc21)N1CCOC[C@@H]1[C@H]1CCCO1 329290587 QRBBIQZKAGOZCT-BRWVUGGUSA-N 350.846 3.121 30 50 FGEA O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1c(F)cccc1N1CCOCC1 157315275 LTEBTOZVUGQRFV-QPJJXVBHSA-N 372.352 3.172 30 50 FGEA C=C(C)Cn1nc(C)c(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1C 217820586 LMHLQTBXEIVBIM-PZJWPPBQSA-N 372.557 3.389 30 50 FGEA biogenic C=CCN1CC[C@@H](CNC(=O)c2cccc(-c3cccc(CO)c3)c2)C1 426707554 YAEKHOUJJMXVRW-SFHVURJKSA-N 350.462 3.084 30 50 FGEA CC(C)(C)c1ncc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccccn2)s1 170645607 NYAAMHOYEVQTAR-GWJCSSMESA-N 354.435 3.196 30 50 FGEA CCC(=O)N1CCC[C@@H]1C(=O)N(CC#Cc1ccccc1)C1CCCC1 55387471 PYMBFODADSQOAR-HXUWFJFHSA-N 352.478 3.210 30 50 FGEA Cn1cc(CN2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c(C(F)F)n1 1875366760 PHIUTIGPJRVSJV-UHFFFAOYSA-N 353.222 3.121 30 50 FGEA C#CCCC1(CCC(=O)NC2CCN(Cc3ccccc3C)CC2)N=N1 952882593 SSSQRSHOIRGKPJ-UHFFFAOYSA-N 352.482 3.431 30 50 FGEA O=C(Nc1nccs1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 3149123 KFYZYCHSHJQTPX-MRVPVSSYSA-N 374.184 3.276 30 50 FGEA COc1cc(Cl)c(S(=O)(=O)N2CCC(C)(C#N)CC2)cc1Cl 503767140 VFIIFLBGJSCTOH-UHFFFAOYSA-N 363.266 3.316 30 50 FGEA N#Cc1ccc(N2CC[C@H](C(=O)N3CCOCc4ccccc43)C2)c(F)c1 286544177 DDYRZQKPPBNYEK-INIZCTEOSA-N 365.408 3.087 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 92028526 TUVOEEHUFWASRB-LJQANCHMSA-N 371.444 3.218 30 50 FGEA N#Cc1[nH]c(=O)n(-c2ccccc2)c(=N)c1/N=C/c1c(F)cccc1Cl 100417935 VEYGQWNJMYQHAX-AANSTMGCSA-N 367.771 3.060 30 50 FGEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(OC)c1O 2222586 AIMAYCCNZFXPDL-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA COc1cc(OC)c(/C=N/n2c(-c3ccco3)n[nH]c2=S)c(OC)c1 5558300 DDGQQQPMRNNKEK-RQZCQDPDSA-N 360.395 3.109 30 50 FGEA COc1cc(C(=O)Nc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 170004246 PLXNWLYJTOOKCD-UHFFFAOYSA-N 353.227 3.247 30 50 FGEA Cc1noc([C@@H]2CCN(/C(O)=N/[C@H]3CCCOc4c(F)cccc43)C2)n1 329048737 KELMWMIDPWGHCS-DOMZBBRYSA-N 360.389 3.134 30 50 FGEA Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-] 2782471 BRGKDUNPZIYCLQ-KOLCDFICSA-N 373.438 3.357 30 50 FGEA COC(=O)c1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cs1 71754331 TUCIQRAYIABYFV-UHFFFAOYSA-N 353.407 3.058 30 50 FGEA C=CCOc1cccc(NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 299777982 FHFJLYWZLNWHCT-LJQANCHMSA-N 359.470 3.016 30 50 FGEA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(c2ccnc(C#N)n2)C1 952893078 HEGSLWJIZOPAKW-UHFFFAOYSA-N 362.412 3.262 30 50 FGEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1ccc(C#N)s1 275472634 LXGLLMOTGDDLOP-KBPBESRZSA-N 364.515 3.429 30 50 FGEA C=CCNCc1cc(Cl)ccc1OC[C@@H](O)CN1CCCCCC1 12597253 YHGLKSOUNSZAMM-SFHVURJKSA-N 352.906 3.231 30 50 FGEA Cn1ccnc1[C@H]1CCN(/C(O)=N/C[C@H]2CCCC[C@H]2C(F)(F)F)C1 329702386 IBUZNXOKQYMMPE-HZSPNIEDSA-N 358.408 3.492 30 50 FGEA C=CCNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 2959654 DNAKSXFUTRQPOO-UHFFFAOYSA-N 372.490 3.185 30 50 FGEA C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccncc1 6743326 IATPTHZOVPNHEC-LLVKDONJSA-N 372.479 3.102 30 50 FGEA Cc1nnc(CN(C)Cc2ccc(C(=O)Nc3sccc3C#N)cc2)o1 65506268 GQLSUYOUHMVXRG-UHFFFAOYSA-N 367.434 3.196 30 50 FGEA Cc1noc(C)c1CO[C@H]1CCN(CCCOc2ccc(C#N)cc2)C1 368857211 ZJKPIUKNYVSCIW-IBGZPJMESA-N 355.438 3.223 30 50 FGEA N#Cc1ccccc1C(=O)N1C[C@@H]2CCN(CCCc3ccccc3)[C@@H]2C1 82083617 KGSSTJHHSVTNDV-RBBKRZOGSA-N 359.473 3.337 30 50 FGEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)NCc3ccccc3)o2)cc1 334163386 ZNEGYVNXUFREMP-UHFFFAOYSA-N 353.403 3.000 30 50 FGEA Cc1c([C@H](C)NC(=O)c2ccc(C#N)nc2)cnn1-c1ccc(F)cc1F 91320288 USWLHEQATKGUMS-NSHDSACASA-N 367.359 3.217 30 50 FGEA COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(C#CC(C)(C)O)o1 952975254 CXOJBWQPHGQQFC-UHFFFAOYSA-N 361.825 3.336 30 50 FGEA CC/N=C(\NCC)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 5015450 ODYCQAHPTXKEOT-GFCCVEGCSA-N 374.293 3.344 30 50 FGEA CC1(C)OB(c2ccnc(NC(=O)OCc3ccccc3)c2)OC1(C)C 169993427 PKHYDIRMFMDPLN-UHFFFAOYSA-N 354.215 3.130 30 50 FGEA C[C@H](/N=C(/O)[C@H]1CCc2nn[nH]c2C1)c1ccc(Br)s1 329035256 MRZJTCWWKPAXPW-YUMQZZPRSA-N 355.261 3.451 30 50 FGEA N#Cc1cc(C(=O)c2ccccc2)[nH]c1N1CCN(c2ccccc2)CC1 1391383 QOCZWVSDWQLJLR-UHFFFAOYSA-N 356.429 3.444 30 50 FGEA COc1ccc2c(c1)CCN(/C(O)=N/c1nc(-c3ccccc3F)n[nH]1)C2 55036694 IHHFZESVMYBARS-UHFFFAOYSA-N 367.384 3.223 30 50 FGEA N#Cc1ncccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 432306852 JWCSZRPRFIOCHM-LBPRGKRZSA-N 367.352 3.198 30 50 FGEA N#Cc1cc2c(N)c(C(=O)c3ccc(Br)cc3)sc2nc1N 19595121 YAJAFVRAGKLQJD-UHFFFAOYSA-N 373.235 3.326 30 50 FGEA CC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CCCCCC3)CC1 6731258 FAVPISWLVJQUHK-UHFFFAOYSA-N 359.495 3.476 30 50 FGEA C=CCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100408673 HMKYVMVMIKZDPK-HJWRWDBZSA-N 352.341 3.221 30 50 FGEA CC1(C)CN(/C(O)=N/[C@H]2CCN(c3ccccn3)C2)Cc2ccccc2O1 329313799 DGLHMCLHZGHKDZ-KRWDZBQOSA-N 366.465 3.248 30 50 FGEA N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 195226305 SQHXHOJAJHZLGG-RBUKOAKNSA-N 364.424 3.085 30 50 FGEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 19287934 MVDDJBKXDNSMEP-SFHVURJKSA-N 371.433 3.322 30 50 FGEA CCCCCCCC[C@H](O)CCC(=O)N1CCC[C@@H]1c1nncn1C 253407662 HXVOSMASLGJHTK-DLBZAZTESA-N 350.507 3.370 30 50 FGEA Cc1cc([C@@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)ccc1F 125465214 UAQAUFDATCZBKW-IBGZPJMESA-N 353.397 3.289 30 50 FGEA N#Cc1ccnc(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)c1 82157472 WPBOGJBWXBKGAP-UHFFFAOYSA-N 350.470 3.300 30 50 FGEA Cn1c(CNC(=O)N2CCC[C@H](C#N)C2)nc2cc(C(F)(F)F)ccc21 426606829 YONZDXXCLLVCNQ-LLVKDONJSA-N 365.359 3.037 30 50 FGEA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 1875385466 UBYHMKAZTQNWDC-CJAUYULYSA-N 360.417 3.347 30 50 FGEA C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3cccc(C)c3)CC2)C1=O 11788192 MPPMKAHTIIDRTD-JOCHJYFZSA-N 369.509 3.484 30 50 FGEA COc1ccc(N/C(=N/S(=O)(=O)c2ccccc2)C(F)(F)F)cc1 12564283 HEWTXJOBCYGJAE-UHFFFAOYSA-N 358.341 3.457 30 50 FGEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccc(Cl)cc1)C2 14752007 CDYPRKVUCOUQFN-MRXNPFEDSA-N 372.900 3.071 30 50 FGEA C[C@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(Cl)cc2)N1O 4314753 WVPQFNVQEYGTEQ-QFYYESIMSA-N 350.827 3.393 30 50 FGEA C=CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 2507078 VNDTVULQITUODT-PDGQHHTCSA-N 364.426 3.030 30 50 FGEA C=CCN(c1ccc(C(=O)NC(C(C)C)C(C)C)cc1)S(C)(=O)=O 2877836 NWJOLGFSGKSPBQ-UHFFFAOYSA-N 352.500 3.049 30 50 FGEA N#Cc1cccnc1N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 72430476 VCBVRJROEFYGPQ-VQTJNVASSA-N 360.461 3.013 30 50 FGEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cnc(NCc3ccccc3)nc2)C1 92020286 FTXVDMGMWPDFJK-OAQYLSRUSA-N 366.465 3.332 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@@H](c3ccco3)O1)C(C#N)(C#N)[C@@H]2c1ccccc1 5433535 RHQCNXVWUHSVNE-ZTRFORPCSA-N 358.357 3.402 30 50 FGEA COc1ccc(OC)c(/C=N\Nc2nnc3c(n2)[nH]c2c(C)cccc23)c1 16671791 ASDXFGIDGAPPPT-JMIUGGIZSA-N 362.393 3.278 30 50 FGEA OB(c1cccc(F)c1C(F)(F)F)c1cccc(F)c1C(F)(F)F 169747479 CPVWDJSKJMCXQY-UHFFFAOYSA-N 354.005 3.100 30 50 FGEA C=CCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccco3)cnc21 4852468 DKDVGYRSQFYDHL-UHFFFAOYSA-N 357.373 3.122 30 50 FGEA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)c1 284474858 FAOMFMHDYGXWRU-BBWFWOEESA-N 354.372 3.333 30 50 FGEA N#Cc1cc2n(n1)CCCN([C@H](C(=O)O)c1cccc(-c3ccccc3)c1)C2 1506425097 CKMKNCVMUSWPCS-NRFANRHFSA-N 372.428 3.453 30 50 FGEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1)c1ccccc1 13205568 BRHDNULTLUWHND-LJQANCHMSA-N 371.396 3.255 30 50 FGEA CCN(CC)c1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1 1321997 WZVJTZVXEUQIEY-UDWIEESQSA-N 352.467 3.357 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@H]2CN2CCc3ccccc3C2)N=N1 2325899612 OBBOTOHVVUUTNC-FQEVSTJZSA-N 364.493 3.391 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@H](Oc3ncccc3OCC)C2)N=N1 2325901117 UOYFHWRWQDTGJQ-MRXNPFEDSA-N 370.453 3.206 30 50 FGEA N#Cc1ccc(C(=O)C[n+]2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 3131463 IRSOXHMOEUQTHX-UHFFFAOYSA-N 358.377 3.228 30 50 FGEA C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cc3F)c2C(N)=O)C1 4741171 ZCPGHUUQIQWYDO-VIFPVBQESA-N 357.410 3.235 30 50 FGEA CCc1nnc(NC(=O)CCNc2oc(-c3ccccc3)nc2C#N)s1 32622834 IOSXBPRBHWJZSX-UHFFFAOYSA-N 368.422 3.068 30 50 FGEA N#Cc1cccc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 72167273 ODXVAJNIPYGQSU-CEWLAPEOSA-N 366.415 3.298 30 50 FGEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 43190512 KLWPKCZPGYRJIO-RGVLZGJSSA-N 361.854 3.377 30 50 FGEA C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1CC=C 1875294044 LLRFTHDHMXAIEN-AHRSYUTCSA-N 370.493 3.163 30 50 FGEA C=CC[C@H]1C=CC[C@H](CC=C)N1S(=O)(=O)c1ccsc1C(=O)O 1616097017 BBGFBSDXVZXDLS-STQMWFEESA-N 353.465 3.286 30 50 FGEA C#CCCC1(CCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)N=N1 2325892599 TUCMMICRDMJQAR-UHFFFAOYSA-N 368.481 3.132 30 50 FGEA C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@H]2C(=O)C1N=N1 257348753 INKNBLYOCYSZNF-RYQGBKPXSA-N 356.466 3.468 30 50 FGEA CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1c1nccn1Cc1ccccc1 952890624 FNYPFAXLAFWDMQ-GOSISDBHSA-N 359.433 3.354 30 50 FGEA C=CCc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)ccc1OC 952961337 CURXJVAQXZGLGN-UHFFFAOYSA-N 371.868 3.435 30 50 FGEA C#CCCC1(CCC(=O)N[C@@]2(C(=O)OC)CC[C@H](C)c3ccccc32)N=N1 2325894917 YEIQOIMYKHEGDO-BTYIYWSLSA-N 367.449 3.424 30 50 FGEA O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1cccs1 2378130 VODFMEMEUNUFIX-UHFFFAOYSA-N 357.416 3.146 30 50 FGEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccccc2OC)cc1 6876131 VRQHSYGFVRKPEM-XDHOZWIPSA-N 369.450 3.219 30 50 FGEA N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(Cl)s3)C2)nc1 366201784 HGTNJYXKDINWQT-LBPRGKRZSA-N 362.842 3.031 30 50 FGEA Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccc(OCCO)cc1 71750154 SQUMMNLAMWEGQT-UHFFFAOYSA-N 361.401 3.255 30 50 FGEA C=C(C)Cc1c(C)nn(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1C 217794075 FFHSNSDIEYKXKP-PZJWPPBQSA-N 372.557 3.389 30 50 FGEA biogenic CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC 2239835 LJZARJUGPCDTKD-UHFFFAOYSA-N 352.504 3.286 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccccc1 2486152 GUYZIOBAIWZKLR-GDBMZVCRSA-N 356.447 3.455 30 50 FGEA Cc1cc(C)n(-c2ccc(/C(N)=N/OCc3csc(C4CC4)n3)cn2)n1 153187393 SFSYYHYCJDPXNJ-UHFFFAOYSA-N 368.466 3.055 30 50 FGEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccnc3ccc(C)cc23)C1 328610909 JOUXBLDYQKUKNJ-LJQANCHMSA-N 351.410 3.317 30 50 FGEA COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(Cl)cc4)cnc3c2c1 826588 GYHPHMAMXSEFEZ-ZVBGSRNCSA-N 352.781 3.422 30 50 FGEA COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c2ccccc12 1190341 CHZMQVYUVDXZRN-DEDYPNTBSA-N 354.431 3.469 30 50 FGEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 4094466 BSAUXCNDXHVMOP-XOBRGWDASA-N 371.433 3.278 30 50 FGEA O=[N+]([O-])c1ccc(-c2cnc(N/N=C/c3cccc([N+](=O)[O-])c3)nc2)cc1 4947318 MHVGCQRHXZOIBF-AWQFTUOYSA-N 364.321 3.406 30 50 FGEA CNC(=O)c1ccc([C@@H]2CCCCN2C/C(O)=N/Cc2cccs2)n1C 328626847 FMWHJZRDNJNJHT-INIZCTEOSA-N 374.510 3.130 30 50 FGEA CCc1ccc2[nH]c3nc(N/N=C/c4ccc(O)c(OC)c4)nnc3c2c1 5028809 QHCXNUDVECIEIC-KEBDBYFISA-N 362.393 3.229 30 50 FGEA Oc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1O 19791128 FWSCCFSNCJCLIH-HZHRSRAPSA-N 361.445 3.403 30 50 FGEA N#Cc1cc(CC(=O)NCc2cnoc2C2CC2)ccc1Br 2325798250 ZMCHAGOETSJSJM-UHFFFAOYSA-N 360.211 3.045 30 50 FGEA C=C(CN1CCC[C@@H]1c1ccccc1Cl)C(=O)N[C@@H](C)c1nncn1C 2325826035 MLYJBBKCCUXHJH-WMLDXEAASA-N 373.888 3.039 30 50 FGEA C=CCn1cc(CN2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c(C)n1 55153405 LFSNBPMFJYECOK-QGZVFWFLSA-N 364.453 3.202 30 50 FGEA C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 58563822 XXKNHBAFFJINCK-RVEJDSBJSA-N 358.434 3.443 30 50 FGEA biogenic,in-vitro N#Cc1ccc(C(=O)N2CCC(CO)(CCCc3ccccc3)CC2)cn1 67431916 WAOSBRARYCIBJF-UHFFFAOYSA-N 363.461 3.191 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2C)cc1 4615097 RTXNHCBWVATSOB-MOSHPQCFSA-N 368.462 3.110 30 50 FGEA Cc1noc(-c2ccc(-c3ccc(C(=O)N4CCC[C@@H](C#N)C4)cc3)nc2)n1 426596429 DRHFTBRCDDHDIQ-HNNXBMFYSA-N 373.416 3.483 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1OC)CC2 92078563 IGILGFAZKYJSNQ-UHFFFAOYSA-N 357.454 3.118 30 50 FGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1ccc(F)cc1)O3 245238695 ZAHTUSMPCRFEFD-ILRDRHFLSA-N 350.353 3.335 30 50 FGEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccnc1 820552717 CUFDDXWREZDLIV-VSKRKVRLSA-N 364.445 3.480 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1Cl 625983 YZNSMLMTNLXMAW-HNNXBMFYSA-N 365.788 3.333 30 50 FGEA COc1ccc2c(c1)OC[C@@H](/N=C(/O)N(C)C1Cc3ccccc3C1)C2 329031764 XHRZZTLVYMTRFE-KRWDZBQOSA-N 352.434 3.012 30 50 FGEA COc1cccc(/C=C/C(=O)c2c(Br)cnn2C)c1OC 6925457 RMAYZZIDNDIGJE-BQYQJAHWSA-N 351.200 3.096 30 50 FGEA C[C@H]1Cc2cc(Cn3ccnc3-c3ccc(C#CCO)s3)ccc2O1 77489338 MUOHSNSNRUBPSF-AWEZNQCLSA-N 350.443 3.327 30 50 FGEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@H]2C(=O)C1N=N1 257348750 INKNBLYOCYSZNF-CGYPGZLNSA-N 356.466 3.468 30 50 FGEA N#Cc1c(NC(=O)[C@H]2CC(c3ccccc3O)=NO2)sc2c1CCCC2 815009 PBDPHOBXUXSBKZ-MRXNPFEDSA-N 367.430 3.336 30 50 FGEA CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCCO3)c(C#N)c1C 2997464 CCLUUMFUWVZALW-UHFFFAOYSA-N 372.402 3.128 30 50 FGEA Cc1cnn([C@@H]2CCN(/C(O)=N/[C@H](C)[C@H]3OCCc4sccc43)C2)c1 330266767 QDGNHCXBBFPJIY-CKEIUWERSA-N 360.483 3.116 30 50 FGEA CCn1ccnc1[C@@H](NCc1ccc(OC)c(C#N)c1)C1CCOCC1 284729437 MCMBBIPZBQJXMM-IBGZPJMESA-N 354.454 3.041 30 50 FGEA N#Cc1cc2c(nc1-c1cccc(C(=O)NCC3CCNCC3)c1)CCCC2 584890926 VCPPVQXRWXNGPI-UHFFFAOYSA-N 374.488 3.228 30 50 FGEA Cc1cc(F)cc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(C#N)nc3)C2)c1 1875340519 GDVHNFGOGPYVSJ-RHSMWYFYSA-N 352.413 3.411 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)cc1 17112367 LWCNTNBRNOUFOE-SFHVURJKSA-N 368.433 3.036 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 4906481 PQXRONCZLDGHQL-QGZVFWFLSA-N 355.365 3.050 30 50 FGEA N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCCc3ncccc32)CC1 2325780574 WEIGEWBNQCWHGI-IBGZPJMESA-N 360.461 3.112 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@H](Oc3ncccc3OCC)C2)N=N1 2325901116 UOYFHWRWQDTGJQ-INIZCTEOSA-N 370.453 3.206 30 50 FGEA COc1ccc(C(=O)C(/C=N/N)=N/Nc2ccc(C(F)(F)F)cc2)cc1 100338266 JAFHVNXYUXQHEW-PSXXPOPQSA-N 364.327 3.309 30 50 FGEA CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1cccnc1 864376 CUFDDXWREZDLIV-FSSWDIPSSA-N 364.445 3.480 30 50 FGEA CC(C)(CCC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 754288321 FIXHQBKGVPFOOL-IBGZPJMESA-N 350.418 3.386 30 50 FGEA C=CCN(c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1)S(C)(=O)=O 2876581 OUTFCFWZZXQQCI-UHFFFAOYSA-N 372.446 3.094 30 50 FGEA CC(C)(C)c1cn2c(n1)CC[C@H](/N=C(/O)c1cc(O)nc(C3CC3)c1)C2 329922296 HZEIBWWXTWIJGW-AWEZNQCLSA-N 354.454 3.478 30 50 FGEA C=CCN1CCN(C(=O)c2cccc(-c3cn(C(F)F)nc3C)c2)CC1 426534467 OAEZXPBJFFKFLC-UHFFFAOYSA-N 360.408 3.197 30 50 FGEA C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 14747144 OAKNKXNSGJDNND-QGZVFWFLSA-N 356.514 3.060 30 50 FGEA C=CCCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 15074325 JEISCNBQBXVFLN-LJQANCHMSA-N 361.917 3.419 30 50 FGEA Cc1c([C@H]2OCC[C@@H]2/C(O)=N/Cc2ncc(-c3ccccc3)[nH]2)cnn1C 328629574 OZSZCWVHTWVIKF-KXBFYZLASA-N 365.437 3.353 30 50 FGEA CC(C)[C@@H]1CN(c2cc(C#N)ccn2)CCC(=O)N1Cc1ccc(F)cc1 71752750 ZAUHDCWLMYJSMU-IBGZPJMESA-N 366.440 3.356 30 50 FGEA Cc1cc(C)c(NC(=O)NC2CCN(c3ncccc3C#N)CC2)c(C)n1 299755549 BIZOGWJLPCCINE-UHFFFAOYSA-N 364.453 3.064 30 50 FGEA Cc1nc2c(o1)CCC[C@@H]2CC(=O)Nc1ccnn1-c1ccc(C#N)cc1 1875274218 UVYIVLCEECWCDQ-OAHLLOKOSA-N 361.405 3.489 30 50 FGEA N#Cc1nc(NC(=O)NCCC[C@@H]2CC2(F)F)ccc1Br 2325809289 YNHKIACIHQEPQF-MRVPVSSYSA-N 359.174 3.273 30 50 FGEA CN1C(=O)/C(=C2\Nc3ccccc3\C2=N/O)c2ccc(Br)cc21 100374820 JUKQKURGZYNHFN-NVVUQHMZSA-N 370.206 3.441 30 50 FGEA in-vitro CC(C)[C@H](NC(=O)CC1=C(c2ccccc2)CCC1=O)c1nccn1C 299784252 SXLDRYFQMMHTAX-FQEVSTJZSA-N 351.450 3.440 30 50 FGEA Cc1ccccc1OCC(=O)O/N=C(\N)c1ccc(Br)cc1 4191786 XMRQQVPXOQVYQC-UHFFFAOYSA-N 363.211 3.000 30 50 FGEA Cc1cc(C)c2c(c1)/C(=N\Nc1nnc3c(n1)[nH]c1c(C)cccc13)C(=O)N2 4646440 GKVNYULLVAGKPX-UHFFFAOYSA-N 371.404 3.200 30 50 FGEA C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2nc(C)cc(=O)[nH]2)cn1 65396950 OMQKZUMBNFFNKJ-UHFFFAOYSA-N 372.432 3.040 30 50 FGEA CC/C(O)=N/[C@H]1CCCN(C(=O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)C1 328605003 LWHPRIKRNQAODZ-YYFZDKIDSA-N 360.429 3.223 30 50 FGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 1857718165 BDTFROYSXMWFMQ-OAHLLOKOSA-N 363.421 3.134 30 50 FGEA CCOC(=O)N1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 759550 GLKFIXMGZPEVJJ-UHFFFAOYSA-N 362.429 3.001 30 50 FGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1219454 YEVABRGGXJQQPB-QGZVFWFLSA-N 352.346 3.079 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F 2256994 ZLUXIJCYNGYHME-HNNXBMFYSA-N 359.397 3.316 30 50 FGEA C=CCNC(=O)c1c(N)n(-c2ccccc2OC)c2nc3ccccc3nc12 4839838 NPVABCNUPZIKKP-UHFFFAOYSA-N 373.416 3.080 30 50 FGEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(O)=Nc1n[nH]c(C(F)(F)F)n1 328602115 AGFNNSUGMYVEMK-MEBBXXQBSA-N 368.315 3.161 30 50 FGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cccc(F)c2Cl)C1 328624210 CGRKEXXYCJRSJT-UHFFFAOYSA-N 354.809 3.111 30 50 FGEA C[C@H](Cn1cc(Br)cn1)C(=O)Nc1cc(Cl)ccc1C#N 2794767 GVTIRHAHGBOTEV-SECBINFHSA-N 367.634 3.445 30 50 FGEA O=C(O)c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 2194002 LFOYZXLHRKOCDJ-FYJGNVAPSA-N 357.841 3.190 30 50 FGEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 1025521 CNPRPPLXCIYPQR-ORAYPTAESA-N 373.474 3.438 30 50 FGEA C=CCOCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 2999779 SVRQAHCEAVMOSF-JSRAGOMMSA-N 359.425 3.081 30 50 FGEA C=CCn1nc(C(=O)O)c2c1CC[C@H](NC1(c3cc(F)ccc3F)CC1)C2 67818423 AQIUEMAMNBFAIW-ZDUSSCGKSA-N 373.403 3.182 30 50 FGEA Cc1n[nH]c(C)c1-c1cc(-c2ccc(N3CCOCC3)cc2)nc(N)c1C#N 71661361 PQFBTEAFPIGOFF-UHFFFAOYSA-N 374.448 3.046 30 50 FGEA N#Cc1c(-c2ccccc2OCC(=O)O)cc(-c2ccccc2F)nc1N 71760737 MBLJLYZCVYIOIN-UHFFFAOYSA-N 363.348 3.472 30 50 FGEA Cc1cc(C)n([C@@H]2CCN(CCCC(=O)Nc3ccc(C#N)cc3)C2)n1 252483314 DYWUBBRBHFKQQC-LJQANCHMSA-N 351.454 3.037 30 50 FGEA C=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N/N=C/c1ccco1 13617599 IIEFQXYJVSDRSZ-MHCYFFLUSA-N 369.446 3.351 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccco1 6728841 AUFAZTVBZJNIEG-UHFFFAOYSA-N 356.407 3.161 30 50 FGEA C=CCNC(=O)N1CCc2ccc(NC(=O)Cc3ccccc3F)cc2C1 12587166 XFTXZLXWUXFKLX-UHFFFAOYSA-N 367.424 3.261 30 50 FGEA C#CCCC1(CCC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)N=N1 2325892634 UWKHUMPVWOGKSZ-RBUKOAKNSA-N 350.466 3.075 30 50 FGEA CN(Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C#N)nc1 170665380 DEATWUZZZQXRFV-UHFFFAOYSA-N 356.234 3.081 30 50 FGEA C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3ccc(C)cc3)CC2)C1=O 14888979 ZQGWFNWRDRDTIR-JOCHJYFZSA-N 369.509 3.484 30 50 FGEA C[C@H](/N=C(/O)c1cn([C@@H]2CCOC2)nn1)c1ccc(Br)cc1 330104924 JGHZQJPYHXAHQB-GXFFZTMASA-N 365.231 3.068 30 50 FGEA O=C(NOC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 2978251 RJCQRLYGNCTRFI-UHFFFAOYSA-N 355.133 3.403 30 50 FGEA O=C(c1ccnn1C1CCCC1)N1CCC[C@H]1C(O)=Nc1nccs1 330047393 JGGWXJAFUXZEDF-ZDUSSCGKSA-N 359.455 3.348 30 50 FGEA COC(=O)c1cccc(-c2cc(B3OC(C)(C)C(C)(C)O3)ccc2OC)c1 216631380 MZEJLGQGLFPZKN-UHFFFAOYSA-N 368.238 3.448 30 50 FGEA COc1ccc(C[C@H]2S/C(=N\N=C\CCc3ccc(C)o3)NC2=O)cc1 18209346 ANIBRAQNGVOKRB-MLHZQLSASA-N 371.462 3.345 30 50 FGEA COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1 25580083 UETAXJXXXVAPCU-PXLXIMEGSA-N 353.466 3.164 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1F 25694862 XLEMIUQJAQBDJY-QGZVFWFLSA-N 358.413 3.388 30 50 FGEA C=CCn1cc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c(C)n1 20255322 WTIXBAKNOFSIGX-OAQYLSRUSA-N 350.510 3.099 30 50 FGEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccnc3c(C)cccc23)C1 328611698 MNBPVWJOGIQMDL-LJQANCHMSA-N 351.410 3.317 30 50 FGEA Cc1c(C2CCCC2)nc(N)c(C#N)c1-c1cccc(OCC(N)=O)c1 71589677 HGGYJZNYWBFMCT-UHFFFAOYSA-N 350.422 3.033 30 50 FGEA CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccc(F)cc3)[C@]12C#N 103021031 JHXWOSNCSXBZOP-KBMXLJTQSA-N 360.483 3.474 30 50 FGEA C[C@@H](NC(=O)C(=O)Nc1cnc2c(F)cccc2c1)c1ccc(C#N)cc1 1875300050 JBMMUYWLWZCKOB-GFCCVEGCSA-N 362.364 3.061 30 50 FGEA CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1c1nccn1-c1ccc(F)cc1 952891277 ZESMAHQLWJHRCL-QGZVFWFLSA-N 363.396 3.434 30 50 FGEA O=C(C#Cc1ccccc1)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12051836 XJOGXOKFGGWWCO-LJQANCHMSA-N 354.413 3.084 30 50 FGEA O=C1CCCC2=C1[C@@H](c1cc(Br)ccc1F)n1ncnc1N2 4716065 UGKYEBRLNBDYDT-CQSZACIVSA-N 363.190 3.202 30 50 FGEA N#Cc1c(SCC(=O)c2ccc(F)cc2)sc2c(O)cc(=O)[nH]c12 4945411 OMRRJSPYYROKJP-UHFFFAOYSA-N 360.391 3.281 30 50 FGEA Cc1cccc(/C=N/N=C2\NC(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S2)c1 4964809 OUVRXGBFPPGJPM-ZVCOJXFSSA-N 368.418 3.067 30 50 FGEA C#CCCC1(CCC(=O)N2CCN(Cc3ccc(CC)cc3)CC2)N=N1 952880426 FIRBTUSKKOPTHJ-UHFFFAOYSA-N 352.482 3.249 30 50 FGEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1cccnc1 5563759 AXAGNZXPHLDMLX-LBPRGKRZSA-N 354.435 3.028 30 50 FGEA C=CCOc1c(Cl)cc(CN(C)Cc2noc(CC)n2)cc1OC 55168587 YDBQDQZCFSVSRG-UHFFFAOYSA-N 351.834 3.491 30 50 FGEA COCCN(C(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc(C#N)cc1 154380530 OUAKAHQNLQRDDJ-UHFFFAOYSA-N 364.380 3.176 30 50 FGEA C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC 2313750 BUVAAYKIZZPULS-FNORWQNLSA-N 364.515 3.452 30 50 FGEA C=C(Cl)CSc1nnc([C@H](Cc2ccccc2)NC(=O)CC)n1C 12244573 HSNKWAZHMHVOST-AWEZNQCLSA-N 364.902 3.470 30 50 FGEA CC[C@H]1C[C@@H](O)CC2(CCN(c3nc4c(cc3C#N)CCCC4)CC2)O1 1857702056 XXJNIDLMRNIOEO-MSOLQXFVSA-N 355.482 3.121 30 50 FGEA C#CCCC1(CCNC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)N=N1 2325887464 UNIXOWVZQBOMOB-UHFFFAOYSA-N 370.844 3.233 30 50 FGEA OCC#Cc1csc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1 55060779 CEHGPQWPFGRKBI-IBGZPJMESA-N 359.466 3.412 30 50 FGEA COc1cccc(N2CCC[C@H](/N=C(/O)[C@H]3CCn4cncc4C3)C2)c1 329481336 RDQBMUDPEQIGEA-HOTGVXAUSA-N 354.454 3.080 30 50 FGEA CC(C)(C)c1cn2c(n1)CC[C@@H](/N=C(/O)c1cc(O)nc(C3CC3)c1)C2 329922297 HZEIBWWXTWIJGW-CQSZACIVSA-N 354.454 3.478 30 50 FGEA CC1(C)OB(C2CCN(C(=O)c3ccc4nccn4c3)CC2)OC1(C)C 864235087 HHEXFSIWKXQAGJ-UHFFFAOYSA-N 355.247 3.033 30 50 FGEA N#CCn1cc(Nc2cc(Oc3ccccc3Br)ncn2)cn1 1875309394 NOSOJFLKXRDKSJ-UHFFFAOYSA-N 371.198 3.495 30 50 FGEA Cc1ccc(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1O 332565584 WZVCGAYXIYAUOQ-UHFFFAOYSA-N 369.852 3.117 30 50 FGEA CCSc1nc2n(n1)[C@@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2 4436204 GRTKQYNOPDOSNQ-INIZCTEOSA-N 372.450 3.126 30 50 FGEA Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(c2ccccn2)CC1 100562618 UWNDIGLAPWDHKC-XQNSMLJCSA-N 360.465 3.040 30 50 FGEA Cc1cc(C)c(CN2CCN(c3ncccc3C#N)CC2)c(-n2cccn2)c1 65406446 RIYXCWTXNRWOKU-UHFFFAOYSA-N 372.476 3.078 30 50 FGEA O=C(O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N\c2ccccc2)S1 83329968 YBPTXUXIDZGPEX-QBNCKDSPSA-N 354.431 3.336 30 50 FGEA CC(C)(C)OC(=O)NCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 238791297 ITRKURVYDOFZLN-UHFFFAOYSA-N 351.227 3.150 30 50 FGEA C/C(=N\N)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\N)CC[C@]4(C)[C@@H]3CC[C@]21C 253500247 BAGRWRUJCMXJQI-YIOSAYJLSA-N 358.530 3.330 30 50 FGEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 4094469 BSAUXCNDXHVMOP-JLTOFOAXSA-N 371.433 3.278 30 50 FGEA COc1cc(OC)cc(C(=O)O/N=C2\CCOc3cc(OC)ccc32)c1 4851326 VCBWEQDIVFYUDA-LVZFUZTISA-N 357.362 3.056 30 50 FGEA COc1cc(C(=O)/C=C/Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC 8829730 UVQUSAKEINGEMS-MDZDMXLPSA-N 370.405 3.479 30 50 FGEA C[C@H](CCc1ccc2c(c1)OCO2)/N=C(/O)N[C@]1(C)CCO[C@@H]1C1CC1 329562049 NBACYXYFAFWOOM-CFSSXQINSA-N 360.454 3.198 30 50 FGEA COc1ccc(/C=C/C(=O)c2ccn(C)n2)cc1Cn1cc(Cl)cn1 6925538 HNRZBJPRWIKWML-HWKANZROSA-N 356.813 3.223 30 50 FGEA C=C(C)C(C)(C)C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72424029 IOFMZTHITRVIBY-JOCHJYFZSA-N 369.509 3.415 30 50 FGEA C=CCC(C)(C)C(=O)[C@@H](CC1(C)OCCO1)S(=O)(=O)c1ccccc1 45071710 QWXDIOHCEZLHCD-MRXNPFEDSA-N 366.479 3.153 30 50 FGEA N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc(=O)[nH]2)cc1 170618696 PFJXJTHIPPKYFW-UHFFFAOYSA-N 359.385 3.272 30 50 FGEA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(C#N)cc2)CC1 1704345305 WXHJPGXYGFSBPJ-UHFFFAOYSA-N 362.429 3.271 30 50 FGEA CC(C)(C)c1ccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 4600236 MVTDKALVDACSSX-UHFFFAOYSA-N 371.393 3.135 30 50 FGEA C[C@@H]1CCCc2ncc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)n21 864235565 COTDEQXTXXNNKS-CQSZACIVSA-N 373.306 3.479 30 50 FGEA C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1 2452275 YHISQLYNEGUNTL-UHFFFAOYSA-N 364.380 3.180 30 50 FGEA C=CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 4865883 BNMFSHOYVWHUMG-UHFFFAOYSA-N 352.434 3.222 30 50 FGEA Cc1noc(C)c1CO[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 368833446 HZFYHXLIZOZPPS-KRWDZBQOSA-N 350.422 3.207 30 50 FGEA N#CC1(c2ccccc2)CCC(NC[C@H](C(=O)O)C2CCOCC2)CC1 863742128 DESRVWLESOILEO-SCCNAQOGSA-N 356.466 3.108 30 50 FGEA N#Cc1nccnc1NCc1cccc(-c2nc(-c3ccncc3)no2)c1 170619653 ITRKNPYEZDRYQI-UHFFFAOYSA-N 355.361 3.072 30 50 FGEA Cc1cc(C(=O)N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)c(C)o1 301887611 MSGJOVKPJFQJOZ-UHFFFAOYSA-N 364.449 3.004 30 50 FGEA CC[C@H](CSC)/N=C(/O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328639260 WUZQRAMAELJWKS-BBWFWOEESA-N 350.532 3.062 30 50 FGEA N#C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)C[C@H]1c1ccccc1 329499832 VQNCVFUUPDEQAY-GGGWTEGZSA-N 364.367 3.108 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 4981334 FASQBFRZFSRFQZ-QGZVFWFLSA-N 355.365 3.050 30 50 FGEA C=CCN(c1ccc(C(=O)NC2CCCCCC2)cc1)S(C)(=O)=O 2873906 BHVRJHJKYVDJCQ-UHFFFAOYSA-N 350.484 3.091 30 50 FGEA COc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1ccc(OC)c(OC)c1 4756046 FMQITUGQSUMTJW-CMDGGOBGSA-N 358.350 3.429 30 50 FGEA OCC#Cc1ccc(CN2CCc3onc(-c4ccccc4F)c3C2)cc1 67674545 MGVBCXQJERDIMR-UHFFFAOYSA-N 362.404 3.383 30 50 FGEA Cc1cc(I)cc(C(=O)N[C@@]2(C#N)CC2(C)C)c1C 332005078 SBUFBRNJCYDNEZ-OAHLLOKOSA-N 368.218 3.330 30 50 FGEA CC1(C)CN(/C(O)=N/[C@@H]2CCN(c3ccccn3)C2)Cc2ccccc2O1 329313800 DGLHMCLHZGHKDZ-QGZVFWFLSA-N 366.465 3.248 30 50 FGEA COc1ccc(-c2cs/c(=N\N=C(/C)c3ccc(O)cc3O)[nH]2)cc1 43761273 KXGRQRJLWMTTPI-RGVLZGJSSA-N 355.419 3.488 30 50 FGEA N#Cc1ccnc(N2CCC(c3nccn3Cc3cscn3)CC2)c1 91604613 DASLMIZACIXVDJ-UHFFFAOYSA-N 350.451 3.039 30 50 FGEA N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91966675 ZGNAHYNNRXXAMY-FXAWDEMLSA-N 363.436 3.434 30 50 FGEA COc1ccc(-c2cc(-c3ccc(C#N)cc3)n3ncnc3n2)cc1OC 1875334767 DISPHFRVIWKEHD-UHFFFAOYSA-N 357.373 3.347 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1F 2502056 OHFIYLZHMPSIDK-INIZCTEOSA-N 360.410 3.205 30 50 FGEA O=C(O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N\c2ccc(F)cc2)S1 100445793 PTRQTCVWTXEJEW-UDJKBAMHSA-N 358.394 3.432 30 50 FGEA CC(C)c1ccc(N2C[C@H](C(=O)NCc3cccc(C#N)c3)CC2=O)cc1 952987555 IHNIYHDPIDVMJX-LJQANCHMSA-N 361.445 3.351 30 50 FGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(Cc2c(C)noc2C)C1 1875240832 HDVFXQHPIOVYGT-QGZVFWFLSA-N 355.438 3.463 30 50 FGEA CCCNC(=O)c1cccc(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1 253428733 DUBVNFCRUBQUOQ-UHFFFAOYSA-N 364.449 3.325 30 50 FGEA N#Cc1cccc(S(=O)(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c1 72479141 AMJNJQFQCIXZQK-QGZVFWFLSA-N 361.511 3.024 30 50 FGEA CN1CCC(N2CCN(Cc3ccc(-c4ccccc4C#N)o3)CC2)CC1 216033222 HCFNEUYAMWSOLY-UHFFFAOYSA-N 364.493 3.030 30 50 FGEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccc(Cl)c(C#N)c2)C3)o1 952851353 IZVIDMVZNRKHQQ-KSSFIOAISA-N 356.813 3.097 30 50 FGEA C=CCNc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 4740935 IYJWPTKFLWEUHB-UHFFFAOYSA-N 366.421 3.155 30 50 FGEA C[C@H](/C(O)=N/[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1OCCc2sccc21 328991111 DDSVKJVOLFHBKO-URLYELCFSA-N 351.468 3.293 30 50 FGEA N#Cc1cccc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c1 72164665 ZVXDRUMOXCHXGI-YTFSRNRJSA-N 359.473 3.326 30 50 FGEA N#Cc1c(-c2ccccc2)[n+](=O)c2cc(N3CCCC3)c(F)cc2n1O 334157416 MKYSHTFTAFCAKF-UHFFFAOYSA-N 351.361 3.071 30 50 FGEA N#Cc1cccnc1N1CCC[C@H](c2nccn2Cc2cscn2)C1 95498719 GSVLVSHQPKGHHY-HNNXBMFYSA-N 350.451 3.039 30 50 FGEA COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)ccc1O 5577331 QXEACKZCVZKFKV-MRXNPFEDSA-N 373.792 3.262 30 50 FGEA COc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1OC 4577606 UPTKOTGYQOKFST-KEBDBYFISA-N 362.393 3.278 30 50 FGEA COc1ccccc1CNC(=S)Nc1cc(OC)c(OC)cc1C#N 1394921 UYFPQHJHZCWHPJ-UHFFFAOYSA-N 357.435 3.071 30 50 FGEA Cc1c(-c2c(C#N)c(N)nc3c2CN(C(=O)C2CC2)CC3)[nH]c2ccccc12 72161366 VOYBAKONGJKJPM-UHFFFAOYSA-N 371.444 3.287 30 50 FGEA Cc1cc(C)n(C/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 328651475 VYDIODZVDZEJOK-GJZGRUSLSA-N 350.463 3.131 30 50 FGEA Cc1n[nH]c(C)c1N=C(O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2 328632222 LEKLOIWONRTBNP-INIZCTEOSA-N 356.474 3.064 30 50 FGEA C=C(C)C(C)(C)C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72433130 IGZPQNFFMMKQEF-JOCHJYFZSA-N 369.509 3.415 30 50 FGEA C[C@@H]1c2ccc(Cl)cc2CCN1Cc1cc(O)n2ncc(C#N)c2n1 2325873565 LLQNJKIADFMWTK-LLVKDONJSA-N 353.813 3.079 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2nn(-c3ccccc3)nc2C)N=N1 2325886827 KUQTXMIUYBKUCG-AWEZNQCLSA-N 350.426 3.109 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](Cc2ccccc2)CN2CCCC2)N=N1 2325899840 AJEALYSYTRLFCT-IBGZPJMESA-N 352.482 3.165 30 50 FGEA CCC(NCCc1ccc(OC)c(OC)c1)=C1C(=O)CC(C)(C)CC1=O 100462773 ZMMIDWHCRAWIHX-UHFFFAOYSA-N 359.466 3.458 30 50 FGEA biogenic C=CCn1cc(-c2cc(-c3ccc(OC)cc3OC)nc(N)c2C#N)cn1 67934640 OBDXQCJQDIFQRB-UHFFFAOYSA-N 361.405 3.269 30 50 FGEA COc1ccc(-c2cc(-c3cccn3-c3ccncc3)c(C#N)c(N)n2)cn1 71639737 RPEBCSUOWVXJPN-UHFFFAOYSA-N 368.400 3.459 30 50 FGEA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 190522305 KYGKUEZFEGKMID-MRXNPFEDSA-N 360.527 3.206 30 50 FGEA COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O 899824 VFLDPWHFBUODDF-FCXRPNKRSA-N 368.385 3.370 30 50 FGEA aggregator,endogenous,world Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCCC(F)(F)C1 225731906 BQPZUFMYLLBCAB-CYBMUJFWSA-N 352.381 3.165 30 50 FGEA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1ccc(C#CC(C)(C)O)o1 67881196 VDJAHJMDFOGCTJ-UHFFFAOYSA-N 371.824 3.204 30 50 FGEA CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 20028846 XFZUHKSQXCYEJT-FQEVSTJZSA-N 366.461 3.373 30 50 FGEA N#CC1(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)CCOCC1 299756837 GJNBBFSNQZKWMB-LJQANCHMSA-N 355.482 3.040 30 50 FGEA N#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2ccccc2)CC1 6697031 AIMKJGLVLDFSTB-UHFFFAOYSA-N 364.430 3.237 30 50 FGEA O=[N+]([O-])c1cccc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c1 32577565 MCHXZUFPNYHKTA-PDGQHHTCSA-N 355.375 3.060 30 50 FGEA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1ccc(C#CC(C)(C)O)o1 1506396638 VQYIRAWDGFDZFR-UHFFFAOYSA-N 369.446 3.126 30 50 FGEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(C)o1 100594154 QPDNWAMUBHXSET-UHFFFAOYSA-N 357.406 3.281 30 50 FGEA C[C@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N 332662781 NMLAYRLSBPWGQK-KBXCAEBGSA-N 358.438 3.405 30 50 FGEA Cc1c([C@H]2OCC[C@@H]2/C(O)=N/Cc2nc(-c3ccccc3)no2)cnn1C 328614705 WRQSIQDFXLDTDA-YOEHRIQHSA-N 367.409 3.013 30 50 FGEA CCOCCN1CCN(c2c(C#N)cnc3c(Cl)cccc23)C[C@H]1C 1875304056 XZVJNMSDGFNPIV-CQSZACIVSA-N 358.873 3.307 30 50 FGEA C=CCC1(C(=O)N2Cc3c[nH]nc3[C@@H](c3n[nH]c(CC)n3)C2)CCCCC1 1875393782 SSPADVWOVXBPQS-HNNXBMFYSA-N 368.485 3.091 30 50 FGEA CN(C)Cc1csc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)c1 75991366 LGCDRADTRTXUSU-DOMZBBRYSA-N 353.495 3.017 30 50 FGEA COc1cccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)c1 2970059 DRXSZDRNMJNGNL-FSJBWODESA-N 361.405 3.203 30 50 FGEA COc1ccc(C(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)cc1OC 4542451 KKGYSVCWARHGHD-UHFFFAOYSA-N 362.405 3.105 30 50 FGEA Cc1nc2n(n1)[C@H](c1cccnc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 4945092 NAWGZFHMSGCODW-OXJNMPFZSA-N 357.417 3.397 30 50 FGEA Cc1ccc(OC2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 116882933 FVHFRMMUMMRVAY-LAUBAEHRSA-N 357.498 3.281 30 50 FGEA N#Cc1ccccc1N1CCCN(C(=O)c2ccncc2C(F)(F)F)CC1 192208452 YIBISZCUXGWPAO-UHFFFAOYSA-N 374.366 3.325 30 50 FGEA COC[C@@H](/N=C(/O)N1CCOCC2(CCC2)C1)c1ccc(Cl)cc1 330249660 ZZWSLDJDJIBZSQ-MRXNPFEDSA-N 352.862 3.444 30 50 FGEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 915174 UYNFIMDHOIWYKN-HSZRJFAPSA-N 361.441 3.425 30 50 FGEA C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccs1 4954644 QZDRCHHZDMRMSF-NTEUORMPSA-N 359.270 3.213 30 50 FGEA O/C(=N/CCc1ccc2c(c1)CCO2)N1CCC(c2nccs2)CC1 329338232 MYKRZNMNKFCPRH-UHFFFAOYSA-N 357.479 3.414 30 50 FGEA C=CCc1cc(C(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)ccc1OC 952961351 IIQDHHSVZSCUPZ-MRXNPFEDSA-N 370.493 3.287 30 50 FGEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)cc1OC 17822809 HHKDAWVABKVBJR-LJQANCHMSA-N 367.401 3.188 30 50 FGEA Cc1ccccc1-c1cc(=NC(O)=Nc2cccc(-c3ncn(C)n3)c2)[nH][nH]1 328596674 OJRNCPFQCRYDKW-UHFFFAOYSA-N 373.420 3.260 30 50 FGEA CCc1ccc(F)cc1C(=O)N1CCN(Cc2cccc(C#N)c2)CC1 2325868164 QVUUZFXKFFUNOY-UHFFFAOYSA-N 351.425 3.218 30 50 FGEA Cc1nsc(N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1C#N 329311064 CLZXPVRBORBIDO-HZPDHXFCSA-N 362.886 3.460 30 50 FGEA N#Cc1c(N)nc2c(c1-c1cc(CN3CCCCC3)cs1)COCC2 71752240 MZQHAPUTNDAVKG-UHFFFAOYSA-N 354.479 3.323 30 50 FGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(Cn2cccn2)cc1 71764298 UXHAZHDVLQXTSS-UHFFFAOYSA-N 369.432 3.156 30 50 FGEA CS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC[C@H](C#N)C3)c2)cc1 299791659 DWZVDYXVPXYOBW-OAHLLOKOSA-N 368.458 3.133 30 50 FGEA CCCCNc1cc(N2CCC(Nc3ccccc3C#N)CC2)nc(=N)[nH]1 1875335098 SFFRRHOXNBYUNG-UHFFFAOYSA-N 365.485 3.054 30 50 FGEA CCCC(=O)C1=C(Nc2ccccc2O)CC(C)(C)[C@H](C(=O)OC)C1=O 805843 BDLSAMHGODXENJ-KRWDZBQOSA-N 359.422 3.216 30 50 FGEA CC(=O)N[C@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1cccc(F)c1 170007609 MIPNMVAIOXXGJX-LJQANCHMSA-N 369.245 3.350 30 50 FGEA CC1(C)CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H]1C#N 331541857 YLUPYBDICMRKGN-SJLPKXTDSA-N 371.456 3.219 30 50 FGEA Cn1cc(/C(O)=N/[C@@H]2CN(c3ccc(F)cc3)C2=O)c(C2CCCCC2)n1 329347993 VSJCJMNHMYOINE-QGZVFWFLSA-N 370.428 3.327 30 50 FGEA Cc1nnc(C[C@@H]2CC[C@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)o1 952891092 WGLIGPVJUCTTOV-PWSUYJOCSA-N 351.332 3.487 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@@H](CO)c1ccc(F)cc1 952971446 HBHNFDVTGQWNLY-IBGZPJMESA-N 353.393 3.182 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(N(C)C)cc2)cc1 5583932 PZKKJJAAKNJFTQ-GOSISDBHSA-N 350.418 3.269 30 50 FGEA COc1cccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)c1O 1478718 SXANHRBZMFOPRC-GIJQJNRQSA-N 360.826 3.484 30 50 FGEA CCOC(=O)c1cc(C(F)(F)F)sc1N/C(O)=N/[C@H](CC)CO 328596037 OUZXPZGKQLCXJY-SSDOTTSWSA-N 354.350 3.040 30 50 FGEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cccc(Cl)c2F)cc1 219519025 ILPIBEKRLISSTG-IAGOWNOFSA-N 374.799 3.317 30 50 FGEA COc1cc(NC(C)=C2C(=O)c3ccccc3C2=O)cc(OC)c1OC 1204204 IOUISSTUUCTUDE-UHFFFAOYSA-N 353.374 3.478 30 50 FGEA N#Cc1cc2c(nc1N1CC[C@H]3[C@@H]1CCN3Cc1nccs1)CCCC2 2356169620 FDRTXUVJYDEDHJ-ROUUACIJSA-N 365.506 3.142 30 50 FGEA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2ccc(Cl)cc2C#N)C1 495446745 ARTSIINXTYUEIU-CVEARBPZSA-N 357.845 3.169 30 50 FGEA C#CCOC(=O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4953754 LAOQEKSCAVPEOM-UHFFFAOYSA-N 358.737 3.291 30 50 FGEA Cc1nn2c(N3CCN(CC#N)CC3)cc(C(C)C)nc2c1-c1ccccc1 20590964 ZVQZRNSMZIHAAX-UHFFFAOYSA-N 374.492 3.474 30 50 FGEA Cc1ncc(N/C(O)=N/[C@H]2CCCO[C@@H]2c2ccncc2)c(C2CC2)n1 328654957 MIQKWNZLMNLHEP-MAUKXSAKSA-N 353.426 3.304 30 50 FGEA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)/C(O)=N/[C@H]1CCc2c[nH]nc2C1 329263569 ZVLSUBAGSHJRHX-ZANVPECISA-N 369.391 3.403 30 50 FGEA Cc1ccc2c(c1)CCN(/C(O)=N/[C@@H](c1nccn1C)C1CCOCC1)C2 329519331 ZRGOOUWRHRKJIQ-LJQANCHMSA-N 368.481 3.169 30 50 FGEA Cc1c(C/N=C(/O)CN2C(=O)C3(CCCC3)N=C2O)n(C)c2ccccc12 329929066 YMRFCAWTQRUNAS-UHFFFAOYSA-N 368.437 3.012 30 50 FGEA N#CCN(CC(=O)N1CC[C@@H](c2ccc(O)cc2)C1)c1cccc(Cl)c1 1875268783 QWIAQWAFTVFLNL-MRXNPFEDSA-N 369.852 3.392 30 50 FGEA C=CCOc1ccccc1CN1CCC[C@@](CCOC)(C(=O)OCC)C1 11873402 SCESITGVUBAISN-NRFANRHFSA-N 361.482 3.433 30 50 FGEA C=CCNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12300665 GKOXNORBGYQHBW-UHFFFAOYSA-N 351.450 3.041 30 50 FGEA C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)Nc2ccccc2)S1)c1ccco1 4980155 ODRWQBLPUBHSEP-XLTHYULKSA-N 356.407 3.460 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 8743722 IQOFJTIQIRTMFL-HNNXBMFYSA-N 361.394 3.112 30 50 FGEA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1 245226691 IOFDLDJFFLMOPD-KXUDFYASSA-N 372.424 3.407 30 50 FGEA COc1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O 19849089 YYYWGERCHWVWDK-FYJGNVAPSA-N 359.857 3.206 30 50 FGEA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3cc(C#N)ccn3)C1)CC2 1857695635 RQVQMJZVUSHCNZ-OAQYLSRUSA-N 363.465 3.231 30 50 FGEA CC[C@H](C)[C@@H](/N=C(/O)N1CCN(c2cccc(O)c2)CC1)C(F)(F)F 331320517 JKEDULSBXPBNEO-SWLSCSKDSA-N 359.392 3.405 30 50 FGEA C#CCCC1(CCNC(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)N=N1 2325891135 SLOUFNSRQGVGRT-KRWDZBQOSA-N 366.465 3.128 30 50 FGEA COC(=O)c1ccccc1Sc1c(/C=N/O)c(C(F)(F)F)nn1C 100278303 BQXIABVJFVJDBS-CNHKJKLMSA-N 359.329 3.185 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccccc1 2486147 GUYZIOBAIWZKLR-HOCLYGCPSA-N 356.447 3.455 30 50 FGEA C=CCN1CCCn2nc(CN3CC[C@@H](c4ccccc4F)C3)cc2C1 216866546 PVABDOBWWJPOAK-QGZVFWFLSA-N 354.473 3.403 30 50 FGEA C=C(C)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1 218974204 NJPHKVOXHRAPGJ-UHFFFAOYSA-N 350.378 3.316 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2cccnc2)cc1 1218176 COUNVJUCGJHUBN-XUTLUUPISA-N 351.431 3.121 30 50 FGEA CC#CC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 12448427 GLBDULYUZTUXPO-UHFFFAOYSA-N 363.417 3.074 30 50 FGEA N#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)n[nH]3)C2)cc1 169754210 RBGAIJOKNYABEN-HNNXBMFYSA-N 363.446 3.019 30 50 FGEA O=C(C[C@H]1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccc(F)cc1 5447866 CDKGJLWDJYWMRV-CQSZACIVSA-N 362.430 3.062 30 50 FGEA C[C@H](/N=C(/O)[C@@H]1CCc2nn[nH]c2C1)c1ccc(Br)s1 329035255 MRZJTCWWKPAXPW-JGVFFNPUSA-N 355.261 3.451 30 50 FGEA Cc1cc(C)c(C#N)c(N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 4271535 ZUVIQGVPQYCQRJ-UHFFFAOYSA-N 370.884 3.425 30 50 FGEA C=CCOc1ccccc1CN(CC)C(=O)CNC(=O)c1ccccc1 55071367 FUXAAVDKDLHGLP-UHFFFAOYSA-N 352.434 3.030 30 50 FGEA N#Cc1c(-c2cccc(O)c2)cc(-c2cc(CC(=O)O)cs2)nc1N 71711900 KFYIBAZAIQXKDO-UHFFFAOYSA-N 351.387 3.264 30 50 FGEA CC1(C)CCC[C@@](C)(C#CCN2CCN(C(=O)c3ccccc3)CC2)O1 19933767 HOOAGDNYLVYJDB-QFIPXVFZSA-N 354.494 3.186 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc(F)c(F)cc1F)CC2 91411612 CZAIPYPJEWRTCZ-UHFFFAOYSA-N 366.383 3.135 30 50 FGEA CCCCN/C(O)=N/S(=O)(=O)c1cnccc1Nc1cccc(C)c1 95908843 YITRQCQYMPXGMU-UHFFFAOYSA-N 362.455 3.126 30 50 FGEA C=CCN1C[C@@H]2C[C@@]3(COc4cc(Cl)ccc4Cl)C=C[C@@]2(O3)C1=O 825558109 VVHPPOBESHMKJV-RZAIGCCYSA-N 366.244 3.484 30 50 FGEA CC1(C)OB(c2cc([N+](=O)[O-])c(N)cc2OCc2ccccc2)OC1(C)C 170003345 PZCVNVQPVSEQNW-UHFFFAOYSA-N 370.214 3.055 30 50 FGEA N#Cc1ccccc1CN1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 91952231 VBYGIYDLRRJPAF-LJQANCHMSA-N 359.473 3.323 30 50 FGEA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(c2ccnc(C#N)n2)C1 952894747 QHLNOBZCKDXCGE-UHFFFAOYSA-N 362.412 3.262 30 50 FGEA COc1ccc2c(c1)CCC[C@@H]2/N=C(/O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3OC 329242766 AIZVQLDLRIHUTG-WAXGZZNISA-N 356.466 3.342 30 50 FGEA C[C@H]1CCc2ccccc2N1C(=O)CON=C(N)c1nccc2ccccc12 733192393 UQVCJUKKMOLQJR-HNNXBMFYSA-N 374.444 3.240 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(O)cc1 849067 BHFQXPPWYXAFIQ-INIZCTEOSA-N 366.398 3.491 30 50 FGEA CCc1cc(N2C[C@H](C(N)=O)CC[C@@H]2C)n2c(nc3ccccc32)c1C#N 170651856 LPICJNKBLFJHFU-DZGCQCFKSA-N 361.449 3.012 30 50 FGEA COC[C@H]1CCCN(/C(O)=N/Cc2cc(OC)ccc2Br)C1 330761642 NHGPODRWEZFVGQ-LBPRGKRZSA-N 371.275 3.230 30 50 FGEA CCCOc1ccc(-c2nc(C#N)c(N(C)CCc3noc(C)n3)o2)cc1 1857800830 VFHFALVHSWMVTM-UHFFFAOYSA-N 367.409 3.372 30 50 FGEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 2325807709 NYALKXCFKSOXQV-KMQSCTNJSA-N 359.510 3.354 30 50 FGEA C#CCCC1(CCC(=O)N2CC[C@@H](N(C)Cc3ccc(F)c(F)c3)C2)N=N1 2325898608 NUSGBTWWXGXWSF-MRXNPFEDSA-N 374.435 3.353 30 50 FGEA CCOC(=O)c1ccn(CSc2nc(C(F)F)cc(C)c2C#N)n1 6392721 YGIQGWBZXXWYPX-UHFFFAOYSA-N 352.366 3.322 30 50 FGEA O/C(=N/[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCn2cncc2C1 329256319 XOJXJCKGJRUDGS-QWHCGFSZSA-N 362.836 3.473 30 50 FGEA CC(C)[C@H]1CN(c2ccc(C#N)cn2)CCC(=O)N1Cc1ccc(F)cc1 71762437 LXPNEPISFMVTBL-LJQANCHMSA-N 366.440 3.356 30 50 FGEA C[C@H](CCNC(=O)c1cccc(-c2ccccc2C#N)c1)N1CCOCC1 426563276 KQJKZABOGFSNBL-QGZVFWFLSA-N 363.461 3.066 30 50 FGEA N#Cc1cc2c(nc1-c1cccc(C(=O)NCCc3cn[nH]c3)c1)CCCC2 534630866 RRYGDKPXMCZUEF-UHFFFAOYSA-N 371.444 3.195 30 50 FGEA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 276011136 QDCSDQPZRBFOQM-LJQANCHMSA-N 354.498 3.369 30 50 FGEA C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 170617639 YOLZZEOTCALJCO-WBMJQRKESA-N 372.471 3.200 30 50 FGEA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cccc([N+](=O)[O-])c1 3129797 RIKGHGOEMQWXNR-JLWFYQMASA-N 351.362 3.279 30 50 FGEA C#CCOc1ccccc1[C@@H]1CC(=O)Nc2cc(N3CCCC3=O)ccc21 65425878 XGJBGVPXIXDZLY-GOSISDBHSA-N 360.413 3.300 30 50 FGEA C=CCNc1ccccc1C(=O)NCc1nncn1CCc1ccccc1 65398267 ATOONECCPOPCIZ-UHFFFAOYSA-N 361.449 3.049 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1OC 636811 RESNABIAYNDZLH-GOSISDBHSA-N 371.433 3.235 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 3191409 VMTJJPYJWCLDPS-INIZCTEOSA-N 355.434 3.485 30 50 FGEA CCSc1nc2n(n1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 4412242 MORHTADERZHHLW-HNNXBMFYSA-N 355.467 3.443 30 50 FGEA CCCCCC(=O)/C=C\[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 43772247 LOLJEILMPWPILA-QMFMRYEMSA-N 352.471 3.251 30 50 FGEA in-vitro C[C@H](NC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O)c1ccccc1 170624788 WHDKYKSJWXRDIP-AWEZNQCLSA-N 361.401 3.112 30 50 FGEA C#CCSc1nnc(CC(OC)OC)n1-c1cccc(C(F)(F)F)c1 3189657 WNGJFMIUNFDSRG-UHFFFAOYSA-N 371.384 3.173 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)N=N1 952880946 MWRXTAVOEIYCCK-QGZVFWFLSA-N 366.465 3.011 30 50 FGEA C=CCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC 14400411 PFAOISWEADEBRY-UHFFFAOYSA-N 366.461 3.395 30 50 FGEA Cc1cc(C(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)CCC4)nc2n1 815241 NVAZKDAOFALFAP-UHFFFAOYSA-N 374.376 3.045 30 50 FGEA C[C@@H](NC(=O)c1cc(C#N)c(N)cc1O)c1ccc(OCC2CC2)c(F)c1 225808971 ZSQUEAHBODGNCG-LLVKDONJSA-N 369.396 3.265 30 50 FGEA Cc1cc(-c2ccc(C(=O)N(C)CCCN(C)C)cc2)nc(C)c1C#N 584890933 JKDYKCGONJXRMY-UHFFFAOYSA-N 350.466 3.261 30 50 FGEA CC1CCC(C(=O)NC2C[C@@H]3CN(c4ccncc4C#N)C[C@H]3C2)CC1 1875339079 VNKYKKUXPZQGGK-BHUNQDJPSA-N 352.482 3.111 30 50 FGEA Cc1c(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)cnn1C 71661284 OKWLXCJAPRZKEI-UHFFFAOYSA-N 352.467 3.035 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)s1 952966919 XLNWNNYZQPLCHC-MRXNPFEDSA-N 368.502 3.360 30 50 FGEA C[C@H](O)CCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O 33820492 RXYQCXVUMLSFHM-SSINVIHQSA-N 350.455 3.027 30 50 FGEA in-vitro CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(C#CC(C)(C)O)c1 67726441 AGQURWPCQPADJC-UHFFFAOYSA-N 365.408 3.097 30 50 FGEA Cc1nc([C@@H]2CCCN(C(=O)c3ccc(-c4ncccc4C#N)cc3)C2)no1 426511825 VGGATOSUMGDMSO-GOSISDBHSA-N 373.416 3.332 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)o1 1506408569 TWUXWDCYEXKJTF-SFHVURJKSA-N 373.474 3.049 30 50 FGEA C[C@H]1CCCc2ncc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)n21 864235564 COTDEQXTXXNNKS-AWEZNQCLSA-N 373.306 3.479 30 50 FGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 842116 HLBQVTIOTJCOGB-KRWDZBQOSA-N 352.346 3.079 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95378372 UOXBERKLGOGCHM-MRXNPFEDSA-N 364.478 3.347 30 50 FGEA CCCn1nc(C)c(NC(=O)N2CCN(c3ccccc3C#N)CC2)c1C 97674441 NPUOMJLQUSXZBM-UHFFFAOYSA-N 366.469 3.136 30 50 FGEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C 257358668 VSGTWMOZGFNRPM-XTJKRWRGSA-N 360.494 3.055 30 50 FGEA C=CCOc1ccccc1C(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 952961370 MOQFHDURBINUEA-UHFFFAOYSA-N 354.406 3.214 30 50 FGEA N#Cc1ccc(N2CCC[C@@H](N3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 186699198 CNGQMLYPLIJINI-FYYLOGMGSA-N 373.456 3.185 30 50 FGEA CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1 19287937 MVDDJBKXDNSMEP-GOSISDBHSA-N 371.433 3.322 30 50 FGEA CCNC(=S)N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 95949786 HJIKCSYJZQXXOB-LTGZKZEYSA-N 372.881 3.075 30 50 FGEA C#CCCC1(CCNC(=O)Cc2csc(-n3c(C)ccc3C)n2)N=N1 2325891028 MEFGIOQQKCUVFD-UHFFFAOYSA-N 355.467 3.175 30 50 FGEA COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 105208437 RYZDYIKCAYCJEZ-YQCBDQLPSA-N 372.424 3.380 30 50 FGEA CCN(Cc1noc(C)n1)[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 328625814 DMVRUVZJUPDBGO-IBGZPJMESA-N 353.470 3.126 30 50 FGEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(=O)[nH]c2ccccc12 91616556 KBNSFMZONCPEGR-UHFFFAOYSA-N 370.412 3.162 30 50 FGEA N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCCC3)cc1Cl 730405459 GRMGBLOKNLMQMN-UHFFFAOYSA-N 374.849 3.209 30 50 FGEA C=C(C(=O)C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169833379 FAPSIEXKQHYAMI-UHFFFAOYSA-N 356.541 3.477 30 50 FGEA N#Cc1c(N)nc2c(c1-c1cccc(Cl)c1)c(=O)nc1sccn12 19874366 KVKWBTOCOGNWGT-UHFFFAOYSA-N 353.794 3.078 30 50 FGEA C=CC(=O)NCc1ccc(C(=O)N2C[C@H]3CCCCC[C@]3(C#N)C2)cc1 2325887979 GULYWYUZHRDZQR-NQIIRXRSSA-N 351.450 3.035 30 50 FGEA CN(Cc1cn(-c2cccc(Br)c2)nn1)[C@H]1CC[C@H](C#N)C1 294233362 SXLRXOZYIWTWOP-WFASDCNBSA-N 360.259 3.154 30 50 FGEA Cc1nn(-c2cccc(Cl)c2)nc1C(=O)[C@H](C#N)c1ccc(F)cn1 225441223 HGARIIZRMNWNSJ-CQSZACIVSA-N 355.760 3.253 30 50 FGEA Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc(Cl)cc(Cl)c2O)n1 1168758 CLIKVXLRRMBSTQ-CNHKJKLMSA-N 365.224 3.284 30 50 FGEA Cc1cc(NC(=O)[C@H](O)c2ccc(C#N)cc2)nn1-c1ccc(F)cc1F 813873644 NFWAQTLYUQYLCA-GOSISDBHSA-N 368.343 3.003 30 50 FGEA O=S1(=O)C[C@H](/N=C(/O)[C@@H]2CCCN2c2ccccc2)c2ccccc21 330158491 ZUADHAAJIGNGLE-IRXDYDNUSA-N 356.447 3.141 30 50 FGEA COc1ccc(-c2c(C#N)c(N)nc3c2CO[C@@H]3C)cc1Cn1cccn1 71767702 RUALYOBVPKYMLV-GFCCVEGCSA-N 361.405 3.047 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)N=N1 2325892485 OWBXDUXHTVUJHN-INIZCTEOSA-N 353.470 3.281 30 50 FGEA N#Cc1ccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)O)CC2)nc1 77565947 ORKRUMGIMQIGIQ-UHFFFAOYSA-N 374.400 3.004 30 50 FGEA C[C@@H](NC(=O)c1ccccc1OCC#N)c1nc(Cc2ccccc2)no1 175323046 VPNREMKPDNAQTQ-CQSZACIVSA-N 362.389 3.054 30 50 FGEA C=CCc1cc(C(=O)N2CCC(Cn3ccnc3C)CC2)ccc1OC 244701119 KAMQXWUAZRRERY-UHFFFAOYSA-N 353.466 3.481 30 50 FGEA N#Cc1cccc(-c2nnc(CSc3ncn(-c4ccccc4)n3)o2)c1 170640017 PURWJRICIBRNEJ-UHFFFAOYSA-N 360.402 3.481 30 50 FGEA C[C@H]1CN(Cc2ccccc2C/N=C(/O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1 329487665 GSGNAPOGIBSIEB-RFGKEDTNSA-N 358.482 3.320 30 50 FGEA C=CCN1CCC[C@@H]1C(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 67895869 BUDJBLQWTVFXJX-HXUWFJFHSA-N 364.493 3.433 30 50 FGEA Cc1nc(O)c(C#N)cc1C(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 77287337 YINUHPCKWHNQOP-KRWDZBQOSA-N 365.433 3.300 30 50 FGEA COCCn1cc(-c2cc(-c3c[nH]cn3)c(C#N)c(N)n2)c2ccccc21 71776865 VJBVPIFOFFRISY-UHFFFAOYSA-N 358.405 3.194 30 50 FGEA COC(=O)C[C@@](C)(NCCOc1cccc(C#N)c1)c1cccc(OC)c1 225571508 JYLAGCYSFCUQKC-OAQYLSRUSA-N 368.433 3.014 30 50 FGEA O/C(=N/CC1C2CC3CC(C2)CC1C3)N[C@H]1CCO[C@@H]1c1cccnc1 329279355 MKUGWNOIIJUPQE-XSTOBAJUSA-N 355.482 3.488 30 50 FGEA C=C(C)[C@@H](O)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c1O 14762534 IIWLGOCXDBSFCM-NADMHLTPSA-N 370.401 3.188 30 50 FGEA endogenous,in-man CC(C)(CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1cccs1 114534265 QWUWQCGKWUBMFB-UHFFFAOYSA-N 368.506 3.429 30 50 FGEA Cc1nc(N(CC#Cc2ccccc2)C[C@H]2CCCO2)c2nc(C)oc2n1 55385136 DNXIMYUMOXPGKG-GOSISDBHSA-N 362.433 3.272 30 50 FGEA COc1ccc(-c2c(C#N)c(N)nc3c2CO[C@H]3C)cc1Cn1cccn1 71767703 RUALYOBVPKYMLV-LBPRGKRZSA-N 361.405 3.047 30 50 FGEA CCn1ccc2cc(CN3CCN(c4ccccc4C#N)C(=O)C3)ccc21 82107182 IIEIDWZUADPZJD-UHFFFAOYSA-N 358.445 3.382 30 50 FGEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 91643458 ZBRAUMLPDBMSQF-OAQYLSRUSA-N 356.466 3.166 30 50 FGEA O=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2O)n1-c1ccccc1 5378891 HOTUKDYYKDKEIS-LPYMAVHISA-N 372.384 3.243 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2F)c2nccn2C)N=N1 2325891994 VNFDZRRNDWWICK-KRWDZBQOSA-N 353.401 3.121 30 50 FGEA C#CCCC1(CCOC(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)N=N1 2325900116 LKWYVOIIRFGAGG-GFCCVEGCSA-N 371.384 3.140 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1cccnc1)O2 102716218 HTIUHCFSDHKOSC-GMLUQMLDSA-N 369.384 3.204 30 50 FGEA C=CCNC(=S)NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 2815559 CPANJJJJOZDZKA-UHFFFAOYSA-N 353.806 3.233 30 50 FGEA COc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2)cc1 3410566 PQTZNUWUXDVABT-UHFFFAOYSA-N 360.417 3.402 30 50 FGEA C=CCOc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 20567873 BPBNDIILVXQYCY-UHFFFAOYSA-N 352.434 3.336 30 50 FGEA C=CCOc1ccccc1NC(=O)N1CCN(C2CCSCC2)CC1 97805727 GFHXSDWVMISGSY-UHFFFAOYSA-N 361.511 3.297 30 50 FGEA N#Cc1nccc(N2CCC(c3nccc(-c4ccc(F)cc4)n3)CC2)n1 952895211 SDYLTVSPROJKNU-UHFFFAOYSA-N 360.396 3.328 30 50 FGEA CC(C)(C#N)c1ccc(NC(=O)NCCn2c(S)nnc2C2CC2)cc1 170656787 ZLWVEDJWZXAYOW-UHFFFAOYSA-N 370.482 3.067 30 50 FGEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 281302109 IBQDHNXQHLTZLI-CNNODRBYSA-N 370.493 3.026 30 50 FGEA N#Cc1ccnc(N2CCCN(C(=O)C[C@H]3CCc4ccccc43)CC2)c1 1772812495 MBZGLSLNDYSRGP-LJQANCHMSA-N 360.461 3.112 30 50 FGEA C=CCn1c(CCN2C(=O)c3cccc4cccc(c34)C2=O)n[nH]c1=S 4174200 VBURIFZIMZNHEG-UHFFFAOYSA-N 364.430 3.119 30 50 FGEA O=C1c2ccc([N+](=O)[O-])cc2N[C@@H](c2ccco2)N1/N=C/c1ccco1 1067679 PHWOXXWDZBNAIG-VHWUNXFSSA-N 352.306 3.381 30 50 FGEA N#Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccccn3)C2)c(F)c1 299781371 KYJSMABZMBLAPV-INIZCTEOSA-N 354.385 3.305 30 50 FGEA C#CCOC(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1 2461616 KFXOCZIQIHXHNE-UHFFFAOYSA-N 358.191 3.491 30 50 FGEA C=CCn1cc(CN(Cc2ccc3c(c2)OCO3)[C@@H](C)COC)c(C)n1 55197990 GPFMAALXUFMZAJ-HNNXBMFYSA-N 357.454 3.143 30 50 FGEA CC(C)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 121752739 YPONSQRZIDJSLD-UHFFFAOYSA-N 352.413 3.178 30 50 FGEA CCOC(=O)[C@@H]1S[C@H](c2ccccc2)[C@H](C#N)[C@]1(O)c1ccccc1 239439225 ZPRSFVJGPUMQRX-HLNWXESRSA-N 353.443 3.434 30 50 FGEA COc1ccccc1C/C(N)=N/OC(=O)COc1ccc(C(C)(C)C)cc1 4318723 RVUSMNCAKBJMRA-UHFFFAOYSA-N 370.449 3.430 30 50 FGEA O=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N\c2ccc(F)cc2)S1 100445790 PTRQTCVWTXEJEW-LZICOFPGSA-N 358.394 3.432 30 50 FGEA N#Cc1cccc(N2CCC(Oc3ccc(Cl)cc3)(C(=O)O)CC2)n1 77518770 SKGPRKCJAANPQV-UHFFFAOYSA-N 357.797 3.109 30 50 FGEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1S(=O)(=O)N1CCC(COC)CC1 1506407951 ZOEXNUUYFRYFBV-OALUTQOASA-N 368.543 3.131 30 50 FGEA COc1ccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)cc1 1185539 RRKCQUDZDQNCAI-FSJBWODESA-N 361.405 3.203 30 50 FGEA N#Cc1ccc(N2CCCN(C(=O)CCCc3cccs3)CC2)nc1 1775981662 HXNHCSORTDOKIV-UHFFFAOYSA-N 354.479 3.076 30 50 FGEA O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1cccc([N+](=O)[O-])c1 5714026 XCZBQPKJAHLTSD-UHFFFAOYSA-N 354.773 3.481 30 50 FGEA CO[C@]1(C(O)=Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CCOC1 330032363 UUZLNRALNIFSTD-STGPPJFRSA-N 363.483 3.399 30 50 FGEA CCOc1cccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)c1O 19826032 SPUQLXWMUXMUCU-JCMHNJIXSA-N 353.466 3.251 30 50 FGEA C[C@H](Cc1ccc(F)c(Br)c1)/N=C(/O)N1CC[C@@H](CCO)C1 331118202 LISNIRKCSOAWJX-NEPJUHHUSA-N 373.266 3.138 30 50 FGEA C#CCCC1(CCNC(=O)Cc2ccc(OCc3ccncc3)cc2)N=N1 2325891346 AYESKMWFFWOJNA-UHFFFAOYSA-N 362.433 3.285 30 50 FGEA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C(\N)c1cccnc1 4171377 GMKDSDJIPAINCT-VIFPVBQESA-N 354.193 3.019 30 50 FGEA C=CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccccc1O 4841177 PTEJDJHAUPLRRO-UHFFFAOYSA-N 372.494 3.187 30 50 FGEA COc1cc(OC)c(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1OC 71748845 LIPWQVJTNYXIPF-UHFFFAOYSA-N 350.378 3.223 30 50 FGEA CN(C(=S)NN=C(c1ccccn1)c1ccccn1)C1CCCCC1 72317804 GNLZNQJBZNOUBM-UHFFFAOYSA-N 353.495 3.368 30 50 FGEA N#CC1(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCC3=CCCCC3)C2)CC1 72478783 RBVIGNJTUSOQHQ-ZWKOTPCHSA-N 355.482 3.020 30 50 FGEA O=C(C#C[C@H]1CCCOC1)N[C@H](c1ccncc1)c1cc2ccccc2o1 1875274263 ZSAPNTSSNVCPDI-OPAMFIHVSA-N 360.413 3.463 30 50 FGEA C=CCn1c(CN(C)Cc2ccsc2)nnc1SC[C@H]1CCCO1 15005849 FXNKLTMMIOMFNE-OAHLLOKOSA-N 364.540 3.429 30 50 FGEA COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)cc1OC 9108941 KVGLLCWAGOMMOJ-SFHVURJKSA-N 367.401 3.220 30 50 FGEA C=C(CCC#N)CNc1ccc(N2CCN(C)CC2)c(Br)c1 2325764529 GDCPPDGFSUGASV-UHFFFAOYSA-N 363.303 3.473 30 50 FGEA COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1OC 636788 VUHHWQKECGIWMS-UHFFFAOYSA-N 353.418 3.405 30 50 FGEA C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 2376997 BTFYMONIPZUEME-UHFFFAOYSA-N 369.425 3.396 30 50 FGEA N#Cc1cc(F)cc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 72149959 QIDDSRPYLGEBEQ-OAQYLSRUSA-N 363.436 3.013 30 50 FGEA COc1ccc(O)cc1-c1cc(-c2cccc(C(=O)O)c2)nc(N)c1C#N 72143350 BWTKOSTXQSTSJK-UHFFFAOYSA-N 361.357 3.282 30 50 FGEA CCOC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 96232851 YZLQOLJXEBOINC-PDGQHHTCSA-N 350.418 3.444 30 50 FGEA N#CC1(c2ccccc2)CCN(C(=O)CCc2cn3ccccc3n2)CC1 97569011 XDHQTMWYUKIILR-UHFFFAOYSA-N 358.445 3.351 30 50 FGEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccccc2F)cc1 6892530 NAERKMZFSOQIAC-YBFXNURJSA-N 357.414 3.349 30 50 FGEA CC[C@H](C)c1ccccc1OCC(=O)N1CCCn2nc(C#N)cc2C1 55281076 CHLFCOYUHTYKOA-HNNXBMFYSA-N 352.438 3.080 30 50 FGEA Cc1nsc(N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1C#N 329311066 CLZXPVRBORBIDO-JKSUJKDBSA-N 362.886 3.460 30 50 FGEA CC#CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 1875377106 SFDWXEPSYXKKGH-ZWKOTPCHSA-N 356.466 3.309 30 50 FGEA C=CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccc(OC)cc32)c2ccccc21 20064238 LGNJYJYJUSFWOD-QFIPXVFZSA-N 359.429 3.098 30 50 FGEA biogenic COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cc(F)cc(C#N)c3)C2)c1 77407753 LVHYDOAFYKTPHM-CQSZACIVSA-N 354.381 3.344 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1ccco1)O2 137103939 IDFLOTIBAMZFNZ-QQTQMKHKSA-N 358.357 3.402 30 50 FGEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)CC[C@H]1CCCN(C)C1 95381131 PLKAAHVASIUMIH-MRXNPFEDSA-N 352.482 3.129 30 50 FGEA C=C(Cl)Cn1c(=O)c(CNC[C@H]2CCCO2)cc2ccc(F)cc21 11783662 UTRYYEVQKJTSIH-MRXNPFEDSA-N 350.821 3.162 30 50 FGEA O=C(C#CC1CCCCC1)N1CCC(c2nc(-c3ccccn3)no2)CC1 2325766279 PLTAOUYKLVUAIL-UHFFFAOYSA-N 364.449 3.421 30 50 FGEA CC(C)[C@H]1CN(c2cc(C#N)ccn2)CCC(=O)N1Cc1ccc(F)cc1 71752751 ZAUHDCWLMYJSMU-LJQANCHMSA-N 366.440 3.356 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(N)cc1 6690855 OSADYDFQSLKJQV-UHFFFAOYSA-N 365.462 3.444 30 50 FGEA CC(C)(/N=C(/O)c1cccc(Cl)c1)c1noc([C@@H]2CC[C@H](CN)O2)n1 328608450 ZBLWQRJMXSDVKE-OLZOCXBDSA-N 364.833 3.142 30 50 FGEA Cc1cc(C)cc(C(=O)N2CCC[C@H](/C(O)=N/CCN3CC=CCC3)C2)c1 329121411 WBTYYRNNGVMKOO-IBGZPJMESA-N 369.509 3.374 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@@H]1CCOC2(CCOCC2)C1 77437020 PTFRTZQBLXCOPX-QGZVFWFLSA-N 369.461 3.038 30 50 FGEA Fc1cccc(F)c1[C@H]1CNC(=NCc2cc(OC3CCC3)ccn2)N1 1875405748 NOIUCKBDZHIXBB-QGZVFWFLSA-N 358.392 3.081 30 50 FGEA C#CCCC1(CCC(=O)N2CCCN(c3ccc(OC)cc3)CC2)N=N1 952883457 XLKKIMAILKOAOJ-UHFFFAOYSA-N 354.454 3.090 30 50 FGEA C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 170617638 YOLZZEOTCALJCO-LRDDRELGSA-N 372.471 3.200 30 50 FGEA CCNC(=O)[C@@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 1506421010 DEWOPXOCEPJNKA-LJQANCHMSA-N 361.489 3.344 30 50 FGEA CS(=O)(=O)N(Cc1ccccc1)c1oc(-c2ccccc2)nc1C#N 1857799075 MXXPXYCCIHTSQA-UHFFFAOYSA-N 353.403 3.179 30 50 FGEA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H]3CCCCC[C@]3(C#N)C2)cc1 2325887980 GULYWYUZHRDZQR-RXVVDRJESA-N 351.450 3.035 30 50 FGEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc(F)cc3)o1)[C@H]1C=C[C@H]2C1 101021145 JPCGWOYOTGHICZ-BBMQJAGTSA-N 350.349 3.227 30 50 FGEA COc1ccc(O)cc1-c1cc(-c2ccc(C(=O)O)cc2)nc(N)c1C#N 72164641 GRGFBMUCYSWJLN-UHFFFAOYSA-N 361.357 3.282 30 50 FGEA N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 91425384 IQOKSIGYDHAJKF-SIKLNZKXSA-N 374.488 3.122 30 50 FGEA N#Cc1ccnc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)c1 91808968 VGKQCFHRZCABJK-UHFFFAOYSA-N 374.488 3.405 30 50 FGEA CN(C)/C=C\C(=O)[C@H](Cc1c(Cl)cccc1Cl)C(=O)/C=C/N(C)C 252427677 BJMWOURLXHZUTR-UCZJFBSDSA-N 369.292 3.441 30 50 FGEA Cc1ccc(/N=C2/NC(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S2)cc1 17835988 SROZHKPGVUYTPB-OAHLLOKOSA-N 357.410 3.382 30 50 FGEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 19928007 ISCIZDRRRGSCFC-INIZCTEOSA-N 374.437 3.027 30 50 FGEA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3ncccc3C#N)C1)CC2 1857697408 UMVKBNJVTVOBQP-NRFANRHFSA-N 363.465 3.231 30 50 FGEA N#Cc1c(NC(=O)CCCn2cc([N+](=O)[O-])cn2)sc2c1CCCCC2 4686886 ISWXAAXKFJXNQA-UHFFFAOYSA-N 373.438 3.412 30 50 FGEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1)c1ccco1 6813951 RJUPREZXKQELOY-SFHVURJKSA-N 360.369 3.453 30 50 FGEA CCO[C@@H]1C[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C12CCCC2 252511750 KHYGHRMVIVAKKL-WCXIOVBPSA-N 363.502 3.073 30 50 FGEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)c1snc(C)c1C#N 329335313 OKUBPRZKZIGSBQ-STQMWFEESA-N 365.503 3.137 30 50 FGEA CC#CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 12052544 LMEGQEQFGQVJRX-HNNXBMFYSA-N 353.447 3.011 30 50 FGEA CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(C)=O 17654626 SZUJJDLBXJCDNT-ZCNNSNEGSA-N 359.551 3.296 30 50 FGEA N#Cc1ccc(N2CC[C@H](OC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2=O)cc1 252678555 FHNKKGLVCJHKNV-OTWHNJEPSA-N 364.376 3.150 30 50 FGEA CCCNCc1cc(I)c(OCC#N)c(OCC)c1 2886153 WJSNVAGMGZVNFL-UHFFFAOYSA-N 374.222 3.092 30 50 FGEA Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1C1CCCCC1 17073499 BVFMPGDYPOYNOI-UHFFFAOYSA-N 355.467 3.465 30 50 FGEA N#Cc1c(NC(=O)CCn2c(=O)oc3ccccc32)sc2c1CCCC2 4384646 YFJPWBKVYWRRTL-UHFFFAOYSA-N 367.430 3.435 30 50 FGEA C#CCN(CC=C)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 55060973 SWXZIZOVZZEPQD-JOCHJYFZSA-N 370.537 3.312 30 50 FGEA C=CCn1c(Cc2cccs2)nnc1SCC(=O)NC1CCCC1 13325565 KFQVQGNKMADHLJ-UHFFFAOYSA-N 362.524 3.267 30 50 FGEA COc1ccc(-n2cc(-c3cc(-c4cccnc4)c(C#N)c(N)n3)cn2)cc1 71754756 SOSDFOIPQWNWEE-UHFFFAOYSA-N 368.400 3.459 30 50 FGEA COc1cccc(S(=O)(=O)c2oc(-c3ccc(C)cc3)nc2C#N)c1 334162417 NQHJVOFJCIPGET-UHFFFAOYSA-N 354.387 3.363 30 50 FGEA Cc1ccc(C#N)c(N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 95371141 VJMICALCPPZUNO-PWRODBHTSA-N 360.461 3.034 30 50 FGEA N#Cc1ccc(C2=CCN(C(=O)c3coc4c3NC(=O)CCC4)CC2)cc1 1875278391 VLFOXMHLTSYNBL-UHFFFAOYSA-N 361.401 3.356 30 50 FGEA CCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1OC 1214966 SMCNRWIFKDYJJO-CJLVFECKSA-N 369.465 3.259 30 50 FGEA CN(C)[C@H]1CC[C@@H](CNC(=O)CC2=C(c3ccccc3)CCC2=O)CC1 2356159284 UIGITNVVPUKUNE-MAEOIBBWSA-N 354.494 3.430 30 50 FGEA CCn1cc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)cc1C#N 67818872 NJJGDGGFIPILNB-UHFFFAOYSA-N 359.389 3.277 30 50 FGEA COc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003368 RSONXMFWYXNRJN-UHFFFAOYSA-N 350.224 3.113 30 50 FGEA C[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@H]2C1=CC[C@H]2C[C@H]1C2(C)C 245324832 AFQQUICKZPLXEB-QLGCXVFLSA-N 350.422 3.281 30 50 FGEA COc1ccc(Br)cc1C=N/N=C1\C(=O)Nc2ccccc21 254566695 KSSSNBLTTBRENS-UHFFFAOYSA-N 358.195 3.233 30 50 FGEA CC(C)[C@](C)(C#N)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 221996208 WYTVNHIPJXXNTF-JDQXKWDPSA-N 366.889 3.162 30 50 FGEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CCC(CO)(c2ccccc2)CC1 2325807795 SYPLVRZTPFFGOC-GHTZIAJQSA-N 359.510 3.283 30 50 FGEA CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(=O)OC1CCCCC1 225761661 LQSNUMRKHQGDOW-HXUWFJFHSA-N 372.465 3.344 30 50 FGEA COC[C@H]1CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 455404266 RBYDKLPVXHGROY-MRXNPFEDSA-N 367.453 3.294 30 50 FGEA N#Cc1ccnc(N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1 95498370 BHHXHXPEPIDCQL-MRXNPFEDSA-N 366.440 3.405 30 50 FGEA C=CCc1c(C)nc(N)nc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 95363520 XVQSZKRDPATNSK-SFHVURJKSA-N 351.498 3.054 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)o1 1506408567 TWUXWDCYEXKJTF-GOSISDBHSA-N 373.474 3.049 30 50 FGEA C=CCNc1ccccc1C(=O)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 55403391 LTQBWGGZHIAHBC-UHFFFAOYSA-N 374.444 3.315 30 50 FGEA COc1ccc(OC)c(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)c1 20189238 RVSVSGNHGWEPSX-PXLXIMEGSA-N 353.466 3.164 30 50 FGEA C#CCCC1(CCNC(=O)[C@H]2CCN(Cc3ccccc3)CC2(F)F)N=N1 1875381517 XMAPZIDLQIHXAR-QGZVFWFLSA-N 374.435 3.226 30 50 FGEA CCNC(=S)NN=Cc1ccc(OCCOc2ccccc2C)cc1 12731517 IVIVPEGOSRUGDT-UHFFFAOYSA-N 357.479 3.271 30 50 FGEA COc1ccc(-c2cc(-c3cnc(NC(C)C)nc3)c(C#N)c(N)n2)cc1 67847836 NOVMFIXXFOESCN-UHFFFAOYSA-N 360.421 3.488 30 50 FGEA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cc(C#N)ccc2F)n1C 328654963 XWPVTBJJUSFONX-SFHVURJKSA-N 354.429 3.123 30 50 FGEA C[C@@H]1CN(C2CC2)C[C@@H]1/N=C(/O)c1csc(-c2ccc3c(c2)OCO3)n1 329849387 RVCLQXLUPBKYIZ-RISCZKNCSA-N 371.462 3.326 30 50 FGEA COc1cc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1C#N 367688980 PXBBOCIRJOFTKN-NRFANRHFSA-N 354.425 3.133 30 50 FGEA CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 252327484 FFRJRVSCSJRNDF-VAJWHRCDSA-N 370.836 3.126 30 50 FGEA N#CC1(c2ccccc2)CCN(C2CCN(C(=O)c3cccnc3)CC2)CC1 1506410444 UDBNQJHUIAEHSE-UHFFFAOYSA-N 374.488 3.244 30 50 FGEA Cc1ccnc(C)c1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 242389585 ZYPIRKWAWXGENY-UHFFFAOYSA-N 355.341 3.390 30 50 FGEA CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1OC 826312 KUBCEGXRKYAQSL-IBGZPJMESA-N 371.433 3.235 30 50 FGEA N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 332718269 ZYZIZRBTUZQVRJ-YPMHNXCESA-N 363.343 3.446 30 50 FGEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1ccc(O)cc1 95351637 DNOHXBVKVYTRHS-ZDUSSCGKSA-N 369.446 3.339 30 50 FGEA C=CCN[C@@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 299764380 VEEYBCFATSEGBB-MRXNPFEDSA-N 365.502 3.448 30 50 FGEA Cc1cc(Cl)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1C 332395197 OLSNWIOZQQOQDE-UHFFFAOYSA-N 354.841 3.186 30 50 FGEA N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1CCC2 4652749 RILGFZUVCUWCTR-MNOVXSKESA-N 350.827 3.280 30 50 FGEA CC(=O)N[C@H](N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F 38141298 FHLMWTNXCBZALF-SECBINFHSA-N 356.257 3.106 30 50 FGEA COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c(OC)c1 19800701 FWYZDSDQDGMKDH-HZHRSRAPSA-N 367.493 3.472 30 50 FGEA CCSC1=N/C(=C\c2cc(OC)c(OC(C)=O)c(OC)c2)C(=O)S1 4755204 TWJPBBCZGYZEOR-WDZFZDKYSA-N 367.448 3.353 30 50 FGEA C=CCOc1cc(Cl)c([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC 4821153 RRPDWYFYKLKJOA-INIZCTEOSA-N 350.802 3.130 30 50 FGEA CC(C)(C#N)c1ccc(NC(=O)NCc2nnc(S)n2C2CC2)cc1 125713474 BMGMFGMFSDIISR-UHFFFAOYSA-N 356.455 3.025 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(CC)c1C 5728159 QVAPUMNWSDIULB-SFHVURJKSA-N 371.481 3.379 30 50 FGEA C=CC(=O)Nc1ccc(C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)cc1 363626269 ITEXGASNURGKPH-UHFFFAOYSA-N 374.444 3.035 30 50 FGEA N#Cc1c(-c2cccc(OCCO)c2)cc(-c2ccc(O)cc2F)nc1N 71775537 SDYZBFLKZXSBAN-UHFFFAOYSA-N 365.364 3.085 30 50 FGEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCCc2ccccc2)cc1 220131150 KXPWQEFYVYPFAA-NHCUHLMSSA-N 364.445 3.234 30 50 FGEA CN(C)Cc1csc(-c2cc(-c3cc(C#N)n(C)c3)c(C#N)c(N)n2)c1 71639097 CJKMZBMRUHYVIN-UHFFFAOYSA-N 362.462 3.203 30 50 FGEA N#Cc1cnc(N2C[C@@]34CCCC[C@]3(CN(Cc3ccccc3)C4)C2)cn1 1875347128 ICWXFLWMSSUVQV-VXKWHMMOSA-N 359.477 3.231 30 50 FGEA COc1cccc(-c2nsc(NC(=O)c3cccc(F)c3C#N)n2)c1 187573357 FVZWPSZGSOLTRG-UHFFFAOYSA-N 354.366 3.477 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)N=N1 2325892451 NYPAEZYLCWYMDY-UHFFFAOYSA-N 370.428 3.359 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@]3(CC(=O)OC)CCCC[C@H]23)N=N1 2325892803 GADFLVOOHLINAJ-QFBILLFUSA-N 359.470 3.457 30 50 FGEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N(C)c3ccccc3)o2)cc1 1857799437 CGNZMIHGKKRMPM-UHFFFAOYSA-N 353.403 3.347 30 50 FGEA Cc1cc(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)c(C)n1C1CC1 328632204 LDNHLDYXCFLGNY-UHFFFAOYSA-N 359.470 3.072 30 50 FGEA CN(C(=O)c1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2F)C1 72433774 NWCACWXTEYSRMF-GOSISDBHSA-N 351.425 3.434 30 50 FGEA Cn1c([C@H]2CCCN(Cc3cc(C#CCO)cs3)C2)nc2ccccc21 828644600 KGBOVQTWVUDWEV-KRWDZBQOSA-N 365.502 3.358 30 50 FGEA C=C(C)COc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1 820530612 GHAQPEGNRKLIFZ-UHFFFAOYSA-N 365.437 3.267 30 50 FGEA N#Cc1cc2n(n1)CCCN(C(=O)C[C@@H](c1ccccc1)c1ccco1)C2 65427920 XWMIHRVCZQJAQY-IBGZPJMESA-N 360.417 3.302 30 50 FGEA C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 118817092 UZGIVNIOBCLVFP-SFHVURJKSA-N 373.497 3.218 30 50 FGEA C=CCn1cc(CN2CCc3[nH]cnc3[C@H]2c2ccnc3ccccc23)cn1 67447091 INFSVDXWACSFTJ-JOCHJYFZSA-N 370.460 3.488 30 50 FGEA Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nccn3CCCN(C)C)C2)n1 95366754 BZUVVSHPXUUFGW-SFHVURJKSA-N 366.513 3.102 30 50 FGEA CCc1cc(C#N)c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)s1 328594092 OVHPXHWPVZISRE-UHFFFAOYSA-N 364.448 3.078 30 50 FGEA C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 118914412 RJTDWMKVQUPGSY-CHKNUKQCSA-N 356.462 3.341 30 50 FGEA C[C@H](COc1ccccc1)NC(=O)C(F)(F)C(F)(F)OC(F)(F)F 22340106 UHNQWTRVKMIQIK-MRVPVSSYSA-N 363.229 3.335 30 50 FGEA C=CCn1c(SC[C@@H]2CCCCN2C(C)C)nnc1-c1cnccn1 240551634 GVANBNQMCQWBSH-HNNXBMFYSA-N 358.515 3.276 30 50 FGEA Cc1cc(C)c(C#N)c(N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)n1 72158523 JGQLVLGPEXMTJS-KRWDZBQOSA-N 364.449 3.422 30 50 FGEA COc1ccc([C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]2N(C)C)cc1 95390515 PVBXLGUMZKLWEC-VQTJNVASSA-N 364.449 3.128 30 50 FGEA CCCCCCCCCCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O 97976827 FMNZSBLELMDOTA-UHFFFAOYSA-N 364.515 3.143 30 50 FGEA N#Cc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1 1529186420 YPPLXXDZAOEQBA-NQIIRXRSSA-N 357.413 3.094 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 1188987 LFJAYGQCIYRGFD-CAOOACKPSA-N 359.234 3.320 30 50 FGEA O=[N+]([O-])c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19773067 ZZHLKYUIJSQCHI-DEDYPNTBSA-N 358.829 3.400 30 50 FGEA Cc1ccc(OCC(=O)O/N=C(\N)c2ccc(Br)cc2)cc1 4955944 XVAFGLYZMXSVGP-UHFFFAOYSA-N 363.211 3.000 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(OC)cc1 2853690 GMVKPNWEVCDBEJ-UHFFFAOYSA-N 372.494 3.291 30 50 FGEA OC(=Nc1nc2c(s1)CCCC2)N1CC[C@H](OCc2ccncc2)C1 328849437 UEIKHFILGOMQTO-AWEZNQCLSA-N 358.467 3.254 30 50 FGEA COc1ccccc1-n1cc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)cn1 71735955 MNAPPFNJCBYNLQ-UHFFFAOYSA-N 368.400 3.459 30 50 FGEA CCOC(=O)CC(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1 199290619 FKZPOJPSTJNGNF-UHFFFAOYSA-N 354.061 3.033 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)o1 952988533 OINCESOCVUCGGM-CQSZACIVSA-N 371.458 3.199 30 50 FGEA C=CCOc1ccccc1CNC(=O)Cc1csc(-c2cnccn2)n1 110424909 IQMUIJFTABXJFS-UHFFFAOYSA-N 366.446 3.024 30 50 FGEA CC#CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 11842284 CGHBPLWJZVSHSL-FQEVSTJZSA-N 362.429 3.315 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)N=N1 2325892405 MDAVNFSGMGPVLE-AWEZNQCLSA-N 354.410 3.176 30 50 FGEA CCOC1=C(Cl)[C@](O)(C#Cc2ccccc2)C(OCC)=C(Cl)C1=O 3051922 IEDHCKBZGUDHSB-GOSISDBHSA-N 367.228 3.326 30 50 FGEA COCC/N=C(\S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20028503 KZJYVEQPGHQJHV-UHFFFAOYSA-N 369.534 3.326 30 50 FGEA CO[C@@H]1[C@H]2C[C@@H]3CN(/C(O)=N/[C@H](C)c4cn(C(C)(C)C)nc4C)[C@H]1[C@H]3C2 329538607 MLNLIIFYRGOQSD-QWVVRRNNSA-N 360.502 3.277 30 50 FGEA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2ccccc2C#N)C3)cc1 96160033 OGGHOHFGLWBDRI-UHFFFAOYSA-N 358.401 3.155 30 50 FGEA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1 1875302695 CMYLLLCQCWGQLA-FZMZJTMJSA-N 366.248 3.099 30 50 FGEA CN(C)Cc1ccc([C@H]2CCCN2Cc2cc(C#CCO)cs2)cc1 1506420413 DHHCEGUFQFQURX-OAQYLSRUSA-N 354.519 3.491 30 50 FGEA O=C(Oc1ccccc1/C=N/n1cnnc1)c1ccccc1Br 994897 KFHIPUAGAWUICQ-AWQFTUOYSA-N 371.194 3.142 30 50 FGEA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3ncccc3C#N)C1)CC2 1857697409 UMVKBNJVTVOBQP-OAQYLSRUSA-N 363.465 3.231 30 50 FGEA N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CCNC2)cc1 2325857255 VDOVGMZEDXDKJV-OAHLLOKOSA-N 373.416 3.403 30 50 FGEA C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 1067963 JTFLAVXGKGEXJY-SFHVURJKSA-N 363.417 3.347 30 50 FGEA O=C(N1CCCC1)N1CCC[C@H](/C(O)=N/Cc2nc3ccccc3o2)C1 329117070 UHQPJYQGOQMTKM-AWEZNQCLSA-N 356.426 3.212 30 50 FGEA NC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1034588 RXJSJSZRZCCGNA-KEBDBYFISA-N 355.854 3.360 30 50 FGEA C=CCOc1ccc(CN2CCC3(CC2)CN(C)CCN3C)cc1CC=C 67846654 BFXPBJVSRLOTAA-UHFFFAOYSA-N 369.553 3.192 30 50 FGEA N#Cc1c(-c2cccn2-c2ncccn2)cc(-c2ccc(O)cc2)nc1N 67783796 SCFBHTIUOGZKSB-UHFFFAOYSA-N 354.373 3.156 30 50 FGEA CN(C(=O)[C@H]1CC12CCN(c1nc3c(cc1C#N)CCCC3)CC2)C1CC1 361047972 HICGKKRXXBLZRK-GOSISDBHSA-N 364.493 3.059 30 50 FGEA N#C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)C1 299799899 VGIRUGUJYXEIDM-INIZCTEOSA-N 354.454 3.470 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)cc1 18183444 SQMKVMCKBPAFLJ-SFHVURJKSA-N 368.433 3.118 30 50 FGEA N#Cc1c(N)nc2sc(C(=O)N3CCCC3)c(N)c2c1-c1ccsc1 167260902 XJKQRRYABYURAW-UHFFFAOYSA-N 369.475 3.297 30 50 FGEA CC(C)(/C(O)=N/[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCOCC1 328675497 KRIBQOCJGGEJGU-GFCCVEGCSA-N 359.253 3.494 30 50 FGEA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCC#Cc1ccccc1 153689459 FSDPULBGRFPQOI-UHFFFAOYSA-N 350.340 3.200 30 50 FGEA C=C(C)COc1c(CN2Cc3ccccc3C[C@H]2C(N)=O)cccc1OC 55132208 IYLNMSBUDQFBQY-IBGZPJMESA-N 366.461 3.062 30 50 FGEA O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccccc2/C1=N\O 101329696 VJTWDKLJCDHHRX-FQJRYBMTSA-N 356.179 3.416 30 50 FGEA in-vitro COc1ccccc1[C@@H]1CN(c2ccc(C#N)cn2)[C@@H]2C3CCN(CC3)[C@H]12 72167967 PGTAZGWXIHAQOA-VLCRHTCISA-N 360.461 3.028 30 50 FGEA C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(Cc3cccc(C)c3)CC2)C1=O 11788191 MPPMKAHTIIDRTD-QFIPXVFZSA-N 369.509 3.484 30 50 FGEA C#CCN(C(=O)c1cn(Cc2ccccc2Cl)nn1)C1CCCCC1 11997340 NPDZEWHXLRAUCB-UHFFFAOYSA-N 356.857 3.388 30 50 FGEA C=CCn1c(CN(C)Cc2ccc(C)o2)nnc1SC[C@@H]1CCCO1 15072949 RZZUNQDGUGTZHN-INIZCTEOSA-N 362.499 3.269 30 50 FGEA Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2OCC(=O)O)c1 6055719 JRWWGCDRMWVQHQ-VXLYETTFSA-N 368.418 3.262 30 50 FGEA COc1cc(/C=N/O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 16310715 DOTXQIYVLDEJDS-RQZCQDPDSA-N 355.799 3.233 30 50 FGEA N#Cc1cccc(Cl)c1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818146476 WOWZIVNQZUKILU-SFHVURJKSA-N 358.829 3.046 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccco1)O2 239310117 IDFLOTIBAMZFNZ-JSFADZTLSA-N 358.357 3.402 30 50 FGEA COCCC(=O)N1CCC(C2CCN(Cc3cccc(C#N)c3)CC2)CC1 1857738161 UCXGJCJTFXVDHY-UHFFFAOYSA-N 369.509 3.045 30 50 FGEA CC1(C)CCCN(S(=O)(=O)c2cccc(Br)c2)[C@H]1C#N 408401730 HLSWBBYWQMJQRX-ZDUSSCGKSA-N 357.273 3.152 30 50 FGEA N#Cc1ccsc1N1CC[C@@H](N2CCc3c([nH]c4ccccc34)C2)C1=O 126862038 VYZOVULLYFCATN-GOSISDBHSA-N 362.458 3.265 30 50 FGEA COc1ccc(-c2c(C)c(C(C)C)nc(N)c2C#N)cc1Cn1cncn1 71712169 AWDWTGDNQOFKIW-UHFFFAOYSA-N 362.437 3.283 30 50 FGEA Cc1cccc(F)c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1319117487 LXOBGIUIOGUDLB-UHFFFAOYSA-N 351.425 3.354 30 50 FGEA C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1c1ccc(F)cn1 1857693128 JEDNWRWDOQHRLH-CQSZACIVSA-N 351.429 3.081 30 50 FGEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/[C@@H]1c2ccccc2C[C@@H]1O 328605682 OUCXNONJWZECKD-BAYUQKDNSA-N 365.429 3.350 30 50 FGEA C=CCOc1ccccc1CNC(=O)N1CC[C@@H](Oc2ccncc2)C1 156310217 AOFNHFFVDAEVTG-GOSISDBHSA-N 353.422 3.009 30 50 FGEA N#CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN3CCCC[C@H]23)CC1 244900314 ZZYKELMGNQTRHO-WOJBJXKFSA-N 351.494 3.335 30 50 FGEA C=C(CN1CCC[C@H]1c1ccccc1Cl)C(=O)N[C@@H](C)c1nncn1C 2325826036 MLYJBBKCCUXHJH-YOEHRIQHSA-N 373.888 3.039 30 50 FGEA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cc(C#N)cs2)NC(=O)N1 176187359 KUQLKNTUSXEMEM-HNNXBMFYSA-N 356.382 3.025 30 50 FGEA CC1(C)OB(c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)OC1(C)C 169810214 XSBKYKLEOANBDL-UHFFFAOYSA-N 353.183 3.125 30 50 FGEA CCCCCCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O 100730667 GLZYPYLDPBASKP-UHFFFAOYSA-N 360.520 3.253 30 50 FGEA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H](C)c1nc[nH]n1 328602852 CYSKMQVNYBQARE-ZQIUZPCESA-N 366.425 3.094 30 50 FGEA N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 239425993 VOSIPQAIPKUIDN-KUDNYVPYSA-N 356.447 3.350 30 50 FGEA CCOC(=O)CC[C@H](C)Sc1nc(C)c(C(=O)OCC)cc1C#N 1875255230 GMHWYNTYEJBANB-NSHDSACASA-N 350.440 3.262 30 50 FGEA COc1cccc(C(=O)NC[C@H]2CCCN(Cc3ccccc3C#N)C2)c1 952978720 ZNXYJKQLZHXFFU-QGZVFWFLSA-N 363.461 3.209 30 50 FGEA COc1cccc(C2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)CC2)c1 332362300 JVPYFHHRFAYIRG-UHFFFAOYSA-N 370.474 3.444 30 50 FGEA Cn1nc(CC/N=C(/O)N2CCOc3cccc(F)c3C2)c2ccccc21 328730060 HRRLPECYEUZHAF-UHFFFAOYSA-N 368.412 3.064 30 50 FGEA C[C@@H]1CN(C2CC2)C[C@H]1/N=C(/O)c1csc(-c2ccc3c(c2)OCO3)n1 329849385 RVCLQXLUPBKYIZ-BXUZGUMPSA-N 371.462 3.326 30 50 FGEA O=C1Nc2ccccc2N/C1=C\C(=O)c1c(O)c(F)c(F)c(F)c1F 85616564 RZIVMRPFZLAUFZ-YVMONPNESA-N 352.243 3.079 30 50 FGEA N#Cc1cccc(-c2ccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)cc2)n1 426719765 ALKVWESTBMVGTH-QGZVFWFLSA-N 371.444 3.369 30 50 FGEA Sc1nnc(-c2cccnc2)n1/N=C/c1cccc(Br)c1 1475325 DEYHGWKQCKSUTF-CAOOACKPSA-N 360.240 3.274 30 50 FGEA Cc1c(Cl)cnc(N2CCN(c3cc(C4(C)CC4)n[nH]3)CC2)c1C#N 225814458 LKIWVOIIAAEBCN-UHFFFAOYSA-N 356.861 3.016 30 50 FGEA O=C(Nc1nccs1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 3149122 KFYZYCHSHJQTPX-QMMMGPOBSA-N 374.184 3.276 30 50 FGEA C=CCSc1ccc(Br)cc1C(=O)N1CCN(C)CC1 25557592 VZSMCGSLJQQPLQ-UHFFFAOYSA-N 355.301 3.115 30 50 FGEA CCCc1cc(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N 20169524 PLUNGGGNBHKYSY-UHFFFAOYSA-N 363.465 3.056 30 50 FGEA COc1cccc2c1CCc1c-2nc(N)c(C#N)c1-c1ccc(O)c(O)c1 67884871 YITCBYYRTSCDLQ-UHFFFAOYSA-N 359.385 3.388 30 50 FGEA C[C@@H]1CC(C)(C)CC[C@H]1N/C(O)=N/Cc1ccc(NS(C)(=O)=O)cc1 331181702 RSFTVIBQCLSRJX-CZUORRHYSA-N 367.515 3.277 30 50 FGEA Cn1cc(C[N@]2C[C@H]2COc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 1875385464 UBYHMKAZTQNWDC-AVRWGWEMSA-N 360.417 3.347 30 50 FGEA C#CCCC1(CCC(=O)N(C)C[C@H]2CN(CC)c3ccccc3O2)N=N1 952881666 MHNQZVZSQZHPIW-INIZCTEOSA-N 354.454 3.088 30 50 FGEA COc1ccc([C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]2N(C)C)cc1 1565530387 PVBXLGUMZKLWEC-UXHICEINSA-N 364.449 3.128 30 50 FGEA CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cc([N+](=O)[O-])c1 169809908 NZVDLOQTDZZSFL-UHFFFAOYSA-N 364.207 3.241 30 50 FGEA in-vitro Cc1c(-c2ccc(/C=N/N=C3/NC(=O)CS3)o2)ccc([N+](=O)[O-])c1C 1191455 CIMRWWUJGRBFAZ-REZTVBANSA-N 358.379 3.025 30 50 FGEA C=CCNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12708484 UPQXMXIORINWRJ-UHFFFAOYSA-N 362.477 3.151 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 13286624 GDFOBDKBCSQSJE-KRWDZBQOSA-N 356.378 3.126 30 50 FGEA N#Cc1cc(CN2CC3CC(F)(C3)C2)cc(CN2CC3CC(F)(C3)C2)c1 2325784279 PQAUFFGOQAGYMA-UHFFFAOYSA-N 357.448 3.426 30 50 FGEA C#CCCC1(CCC(=O)Nc2nc([C@H]3[C@@H](C(=O)O)C3(C)C)cs2)N=N1 2325900972 PFOXKCVJEDCBPN-STQMWFEESA-N 360.439 3.262 30 50 FGEA COC(=O)c1cc(Cl)c2c(F)ccc(B3OC(C)(C)C(C)(C)O3)c2n1 170004770 MDHASUFSUFBWOK-UHFFFAOYSA-N 365.597 3.113 30 50 FGEA C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)O 5495194 WRFVJXRNAQKWMN-UHFFFAOYSA-N 353.831 3.263 30 50 FGEA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)cc1 175154424 QOBLCLBXKKMWNU-OAQYLSRUSA-N 362.477 3.222 30 50 FGEA O/C(=N/[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N[C@@H]1[C@H]2COC[C@H]21 329985367 DEYCFGLSTZRBRL-BCUIYNNISA-N 370.280 3.111 30 50 FGEA C=CCn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)c(C)n1 426662067 GXMIEJXPVLGHTO-FQEVSTJZSA-N 364.493 3.016 30 50 FGEA C[C@@H](c1nnc(N)s1)n1cc(-c2ccc(-c3ccccc3C#N)o2)nn1 91604278 DLEYIROVWIEDNP-JTQLQIEISA-N 363.406 3.120 30 50 FGEA O=C(ON=C1C[C@H](NC(=O)C(F)(F)F)c2ccsc21)c1ccco1 252427731 DJDADXMOWFEWMK-QMMMGPOBSA-N 358.297 3.026 30 50 FGEA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C2 895269103 DQZGPDVPOAMALQ-KALAIVBUSA-N 356.514 3.142 30 50 FGEA COc1ccc([C@H]2CN(c3nc(C)cc(C)c3C#N)C[C@@H]2N(C)C)cc1 1565525925 FFMXBHPSDOMFHG-UXHICEINSA-N 350.466 3.113 30 50 FGEA COc1ccccc1N1CCN(/N=C(/C)c2cccc([N+](=O)[O-])c2)CC1 1194576 ZHWYFYMOZWPIIZ-HKWRFOASSA-N 354.410 3.150 30 50 FGEA C=CCOc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1CC=C 1704336970 OBWVORPZHGQCPL-DHIUTWEWSA-N 370.537 3.259 30 50 FGEA C=CCN(Cc1ccccn1)C(=O)COc1ccc(NC(=O)CC)cc1 65408759 ASJZYLAQCWPWMI-UHFFFAOYSA-N 353.422 3.024 30 50 FGEA C=C(C)C(C)(C)C(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C(C)C)cc1O2 1875394813 XNGFYRWIQFKIML-OAHLLOKOSA-N 361.486 3.243 30 50 FGEA CCN(CC)c1ccc(/C=N\N2CCN(c3ccccc3)CC2)c(O)c1 13371165 XCDJQBRDKCTHMT-XLNRJJMWSA-N 352.482 3.395 30 50 FGEA COCCn1ccnc1NC(=O)c1ccccc1Oc1ccccc1C#N 2325855821 QEMFNMLFZOLSIA-UHFFFAOYSA-N 362.389 3.446 30 50 FGEA C#CCCC1(CCNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)N=N1 2325891205 YDPJCAAGPKBWLQ-UHFFFAOYSA-N 373.363 3.374 30 50 FGEA COCCn1cc([C@H]2OCC[C@@H]2/C(O)=N/[C@H](C)Cc2cccs2)cn1 328644361 ZELPRIOPPBJFSR-XOKHGSTOSA-N 363.483 3.256 30 50 FGEA CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)[C@H]1c1nccn1-c1ccc(F)cc1 952891275 ZESMAHQLWJHRCL-KRWDZBQOSA-N 363.396 3.434 30 50 FGEA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1ccc(C#N)cn1)CC2 275751022 QFGURVQQLZOLQK-SFHVURJKSA-N 366.490 3.422 30 50 FGEA C=CC(=O)N(C)c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 2325786959 MOCKGDMGTASNSF-JOCHJYFZSA-N 359.429 3.016 30 50 FGEA C=CCc1cc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)cc(OC)c1O 102384113 UQWWQDOSGQJFHE-UHFFFAOYSA-N 362.433 3.343 30 50 FGEA Cc1nn(C)cc1-c1cc(-c2c[nH]nc2-c2ccccc2)c(C#N)c(N)n1 71753832 IQFCEDXOBJAKGD-UHFFFAOYSA-N 355.405 3.302 30 50 FGEA CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1cnc(-c3cccs3)nc1)C2 71422404 PZSLPCLWZVBFCB-SWLSCSKDSA-N 374.473 3.412 30 50 FGEA Cc1sc(NC(=O)CN2CCC=C(c3cccnc3)C2)c(C#N)c1C 289447933 XBOPMUBWXGMVEA-UHFFFAOYSA-N 352.463 3.359 30 50 FGEA Cc1cnn(-c2cc(N/N=C/c3c(F)c(F)c(F)c(F)c3F)ncn2)c1 4452465 GLFWOSCFSSANAE-QFSHWATDSA-N 368.269 3.112 30 50 FGEA C=C(Br)CN=c1[nH]c(-c2ccc(Br)cc2)no1 2325866926 FBXSTJNVQAKKGX-UHFFFAOYSA-N 359.021 3.242 30 50 FGEA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1ccc(C#N)cc1)CC2 426465125 HSFRHKUAXLAFHY-IRFCIJBXSA-N 354.450 3.137 30 50 FGEA Cc1noc(C)c1C/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1 328628076 GXYDZIOBOCKJTO-KBPBESRZSA-N 351.447 3.465 30 50 FGEA CC1(C)[C@@H](C(F)(F)F)CCN1/C(O)=N/C1CCN(c2cccnn2)CC1 330280066 RYSRLTVOWPJQCA-ZDUSSCGKSA-N 371.407 3.022 30 50 FGEA CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)c3ccccc3C#N)CC[C@H]21 72432412 ORPQYISOKRYSKX-PKOBYXMFSA-N 353.466 3.057 30 50 FGEA N#C[C@H](NC(=O)Cn1cc2ccccc2n1)c1cccc(Br)c1 496372269 OXEAQKOFGVLLHZ-INIZCTEOSA-N 369.222 3.180 30 50 FGEA Cn1cc(C#N)cc1C(=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506431510 NCQMMLJEPXUFLS-NNMXDRDESA-N 363.461 3.189 30 50 FGEA N#Cc1cc(C(F)(F)F)ccc1OCC(=O)NCc1ccc(F)cc1 241262010 LANUYLWQJRUTBJ-UHFFFAOYSA-N 352.287 3.411 30 50 FGEA O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)NCc1ccccc1 5061155 DZRNRQYJSUWQQQ-ZHZULCJRSA-N 360.457 3.372 30 50 FGEA N#Cc1cccc(N2CCC[C@]3(CCC(=O)N(CCc4ccccc4)C3)C2)n1 77298078 BXRFTMPCQPVQFG-QHCPKHFHSA-N 374.488 3.405 30 50 FGEA Cn1cc(CN2CC[C@H](O)c3ccccc3C2)c(-c2ccc(C#N)cc2)n1 374937345 RFLZYYNPCQUBBB-NRFANRHFSA-N 358.445 3.398 30 50 FGEA CC[C@@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)c1nc(C)no1 584897004 WRTUJDZKCHLQKZ-MRXNPFEDSA-N 353.426 3.096 30 50 FGEA Cc1ncc2c(c1C#N)CCN(C(=O)c1c(-c3ccccc3)n[nH]c1C)C2 1857715776 HNPRLJSNMKGIKA-UHFFFAOYSA-N 357.417 3.159 30 50 FGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2oc(C)nc2C)C1 1857737257 DAGBGTNVQYOZON-INIZCTEOSA-N 369.421 3.103 30 50 FGEA C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 3017522 XYUAUMLYORNSAE-UHFFFAOYSA-N 364.854 3.365 30 50 FGEA O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(Cc3ccccc3)CC2)c1 20131029 IAMPZDSRGBVQSP-DEDYPNTBSA-N 358.829 3.400 30 50 FGEA Cc1c(C#N)c(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)n(C[C@H]2CCCO2)c1C 229676762 XYPGJFGWRVOHHU-IIDMSEBBSA-N 372.513 3.072 30 50 FGEA C=CCCC(=O)N(CCOC)CC1CCN(Cc2ccccc2F)CC1 11879813 HQUQFPCXRZWLTH-UHFFFAOYSA-N 362.489 3.479 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 6786117 TVWIKSNMYIUHCN-SFHVURJKSA-N 369.392 3.441 30 50 FGEA C#CCCC1(CCC(=O)N2CC3(CCN(Cc4ccccc4)C3)C2)N=N1 2325886341 ONCTZRLGTKOBJU-UHFFFAOYSA-N 350.466 3.077 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C/c2coc3cc(C)cc(C)c3c2=O)cc1 2380777 FCFIOFHDERPMLN-KEBDBYFISA-N 370.430 3.031 30 50 FGEA N#Cc1cccc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95390618 JXVNFJRUJKOBGC-AWEZNQCLSA-N 350.451 3.039 30 50 FGEA C=CCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC(C(F)(F)F)C(F)(F)F 23279726 XTJQYCIFINHYHJ-BDAKNGLRSA-N 360.250 3.334 30 50 FGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1cccc(F)c1)O3 245236182 QOXYKXOQFVXHFB-ILRDRHFLSA-N 350.353 3.335 30 50 FGEA COc1ccc(-c2nnc(S)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 252429363 HHRNFNNIFWPYAB-UHFFFAOYSA-N 355.379 3.033 30 50 FGEA C=C(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 187772886 QCSRALQZUJMPRS-KPZWWZAWSA-N 373.403 3.298 30 50 FGEA C#CCOc1cc(C(=O)Nc2cc(C)nn2[C@H](C)C2CC2)ccc1OC 1506425169 NYJMOXUAOUIEOS-CQSZACIVSA-N 353.422 3.435 30 50 FGEA C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 12343276 LXOOXJMKYJYEMT-LICLKQGHSA-N 371.231 3.291 30 50 FGEA CCCCOc1ccc(C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 4833019 JIFHPNFMJLSTBE-UHFFFAOYSA-N 357.366 3.251 30 50 FGEA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(O)=Nc1nc2ccsc2s1 328999432 GKVJQAUYWWPGHV-CYZMBNFOSA-N 367.496 3.419 30 50 FGEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(C)c(F)c1C)CCN2C 91441399 LYPZAYOQRXNXPX-QFIPXVFZSA-N 373.516 3.127 30 50 FGEA OCCC#Cc1ccc(CNC2CCN(Cc3cccs3)CC2)cc1 952967039 YPVCJLWNLCHTCI-UHFFFAOYSA-N 354.519 3.236 30 50 FGEA C=CCNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12711411 QKALGMWSJOIKHY-QGZVFWFLSA-N 362.477 3.151 30 50 FGEA CCCOc1ccc(Cl)cc1Cn1ccc2nc(O)c(C#N)cc2c1=O 67855831 PMGZHDAQXGCYOG-UHFFFAOYSA-N 369.808 3.464 30 50 FGEA N#CCCCn1cc(C(=O)N2CCN(CC3CC3)CC2)c2ccccc21 468962671 NOIIKWFMXOZZRQ-UHFFFAOYSA-N 350.466 3.113 30 50 FGEA C[C@H](C1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1)N1CCCC1 1506405578 KCULAOJNRKDYCG-GOSISDBHSA-N 368.521 3.146 30 50 FGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cccc(-n2cccn2)c1 71749547 HFHACOHZBZGOIN-UHFFFAOYSA-N 355.405 3.097 30 50 FGEA C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3ncccc3C#N)cc2)C[C@H]1C 426487295 GTTPANZQBKTGJH-IAGOWNOFSA-N 360.461 3.341 30 50 FGEA CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](CC)C(=O)OCC 170612017 QCBJSBNEQQDDFH-INIZCTEOSA-N 356.426 3.162 30 50 FGEA CCOc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1 1241437 GNJIGZWHWWFBGY-XDHOZWIPSA-N 354.435 3.427 30 50 FGEA CCCCOc1c(OC)cccc1-c1c(C#N)c(N)nc2c1CNCC2 72150439 NZNRKOAGDKCPLM-UHFFFAOYSA-N 352.438 3.036 30 50 FGEA COc1ccc(/C=C2\C(=O)c3ccccc3\C2=N\c2ncn[nH]2)cc1OC 220961912 FPKTXMLDRRGPEI-JKEKRAIHSA-N 360.373 3.223 30 50 FGEA COc1cccc([C@@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)c1 103012201 DIHNNJYQROBDAC-GIYDNNGJSA-N 362.389 3.204 30 50 FGEA COc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1 5048076 KDYGSHLNSZKUHC-MTEVNVADSA-N 371.437 3.389 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(CC)CC(=C)C)C2 14733202 ODSFWFFLEUOSBT-GOSISDBHSA-N 370.541 3.451 30 50 FGEA CCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 2987106 CAHZSQWWSCHCLZ-LDADJPATSA-N 352.843 3.441 30 50 FGEA CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C#N)CC1 59268639 LAYUEAVZGYNCJR-UHFFFAOYSA-N 366.259 3.378 30 50 FGEA N#Cc1cccc(/C=C/C(=O)OCCOc2cncc(Br)c2)c1 124139691 VZGLXIIEWBQEKH-SNAWJCMRSA-N 373.206 3.351 30 50 FGEA COc1cccc(/C=N/Nc2ncc(-c3ccc([N+](=O)[O-])cc3)cn2)c1O 16512948 YMZWRAPLPJAGNZ-SRZZPIQSSA-N 365.349 3.212 30 50 FGEA CCOc1ccc(-c2nnc(S)n2N/N=C\c2cccc(F)c2)cc1 37256208 IXVFVDPDZHOAOI-ODLFYWEKSA-N 357.414 3.349 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc3c(ccn3CCN(C)C)c2)N=N1 2325892393 LNRRQBOZNYCTAU-UHFFFAOYSA-N 351.454 3.497 30 50 FGEA CCOc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OC 4867659 SOBQDGVBGDTLNX-HXUWFJFHSA-N 366.417 3.448 30 50 FGEA CC/N=C1\S[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CC 100203746 GBRVMTXTLBRRKE-BMOWLENRSA-N 373.400 3.374 30 50 FGEA C[C@@H]1CCC(=O)N1c1ccc(N2CCC(N3CCC(C#N)CC3)CC2)cc1 63871064 KEEMRTCXLSIZMJ-QGZVFWFLSA-N 366.509 3.406 30 50 FGEA Cc1cc(NC[C@@H]2CCn3ncc(/C(O)=N/C(C)C)c3C2)ccc1[N+](=O)[O-] 328603793 HGCHXFOPKAPVOC-CQSZACIVSA-N 371.441 3.487 30 50 FGEA CCn1cncc1Cn1ccc(-c2cccc(-c3nccnc3C#N)c2)n1 19952951 JYAOHBWOFFMGII-UHFFFAOYSA-N 355.405 3.143 30 50 FGEA COc1ccc(C(=O)/C=C2/Nc3ccc(Cl)cc3NC2=O)c(OC)c1 334163081 KZYVGGJAFRGXLQ-OQLLNIDSSA-N 358.781 3.488 30 50 FGEA Cc1ccc(CN2CCN(N=Cc3ccccc3[N+](=O)[O-])CC2)c(C)c1 244852741 UXTCQJTVFRSUHB-UHFFFAOYSA-N 352.438 3.363 30 50 FGEA CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 169748354 LPCZUBQFSBAHID-UHFFFAOYSA-N 359.275 3.279 30 50 FGEA in-vitro Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)n2c(nc3ccccc32)c1C#N 169996049 DSWHYWOORHOLIJ-QGZVFWFLSA-N 360.339 3.171 30 50 FGEA N#Cc1cc(F)cc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c1 1857680004 DOYKOPBEYLVJQR-VWPQPMDRSA-N 364.420 3.296 30 50 FGEA Cc1ccc(S(=O)(=O)N(C)c2oc(-c3ccccc3)nc2C#N)cc1 1857799383 ZIHLCBYRTYRPIH-UHFFFAOYSA-N 353.403 3.347 30 50 FGEA Cc1cncc(N=C(O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)c1 328624273 CJNYWLMBEHOAQD-MRXNPFEDSA-N 371.510 3.379 30 50 FGEA CN(C)c1ncc(-c2cc(-c3cc(F)cc(F)c3)nc(N)c2C#N)cn1 71498397 LVWQHVHKFPMVFX-UHFFFAOYSA-N 352.348 3.004 30 50 FGEA N#Cc1ccc(C2CCN(C(=O)[C@H]3CCNc4ccccc4C3)CC2)nc1 2325804785 QAMIZSHYTIGWSB-IBGZPJMESA-N 360.461 3.334 30 50 FGEA CC(C)Cn1ncc(N/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)c1C(F)F 328838685 NWXYQFZOOGXDJZ-LLVKDONJSA-N 352.389 3.083 30 50 FGEA Cn1c(CNC(=O)N2CCC[C@@H](C#N)C2)nc2cc(C(F)(F)F)ccc21 426606830 YONZDXXCLLVCNQ-NSHDSACASA-N 365.359 3.037 30 50 FGEA C=CCSc1ccccc1N1CCN(CCCCCOC(N)=O)CC1 96026628 FXHBXXHHAMIGKZ-UHFFFAOYSA-N 363.527 3.352 30 50 FGEA CN(C)c1ccnc(Nc2ccc(I)cc2)c1C#N 36383308 ITSBTKCFGGFLPH-UHFFFAOYSA-N 364.190 3.367 30 50 FGEA CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)c2ccc(C#N)[nH]2)C1 952893514 UKMRQKZPBUPYCB-UHFFFAOYSA-N 359.433 3.297 30 50 FGEA CC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)c1 804923 HIUUBSLLUKNSTG-UHFFFAOYSA-N 362.389 3.017 30 50 FGEA Cc1ccccc1NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N 4945696 FXLDIMJDEGAWMO-UHFFFAOYSA-N 371.443 3.206 30 50 FGEA CC(C)OC(=O)c1cc(NC(=O)C2=CC(=O)CC(C)(C)O2)ccc1Cl 55182462 KHBLVYZOWXHVOH-UHFFFAOYSA-N 365.813 3.496 30 50 FGEA C[C@H](NC(=O)c1ccccc1OCC#N)c1nc(Cc2ccccc2)no1 175323030 VPNREMKPDNAQTQ-AWEZNQCLSA-N 362.389 3.054 30 50 FGEA N#C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)C[C@H]1c1ccccc1 297158538 RTGKFEXPPCNRHB-IKGGRYGDSA-N 368.449 3.381 30 50 FGEA Cc1cc(C#N)cnc1N1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3C[C@H]3C[C@H]2C)C1 1875405545 JHCBPTDFFNKXNU-YCWNNZFFSA-N 352.482 3.029 30 50 FGEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CCC(CO)(c2ccccc2)CC1 2325807797 SYPLVRZTPFFGOC-RXVVDRJESA-N 359.510 3.283 30 50 FGEA CN(C(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1cncc(C#N)c1 2325824757 PEQWQPLZBSITRC-UHFFFAOYSA-N 351.797 3.284 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)N=N1 2325900059 JOOQFNVLMLAFQL-AWEZNQCLSA-N 350.426 3.109 30 50 FGEA C=CCc1ccc(OCCn2c(CNC=O)nc3ccccc32)c(OC)c1 4810527 UQZACGFUHQPSFF-UHFFFAOYSA-N 365.433 3.098 30 50 FGEA CN(Cc1cccc(C(=O)Nc2ccc(C#N)cn2)c1)C[C@@H]1CCCCO1 67867611 GXXFKELLCUAUTL-IBGZPJMESA-N 364.449 3.206 30 50 FGEA CCOc1cc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)ccc1O 4770193 WHOFQUMPOAVWNT-MRXNPFEDSA-N 370.409 3.396 30 50 FGEA COc1ccc2c(c1)OC[C@H](N/C(O)=N/C[C@H]1[C@H]3c4ccccc4C[C@H]31)C2 328977635 BZZYHXLVZHYNEJ-LKRGOLFISA-N 364.445 3.088 30 50 FGEA C[C@H](NC(=O)C(=O)Nc1cnc2c(F)cccc2c1)c1ccc(C#N)cc1 1875300051 JBMMUYWLWZCKOB-LBPRGKRZSA-N 362.364 3.061 30 50 FGEA CO/N=C/c1ccc(C(=O)N2CC[C@H](n3c(C)nc4c3CCCC4)C2)cc1 225429912 RGYCRKICHVIIGB-ZFJBLLOBSA-N 366.465 3.138 30 50 FGEA O=C(/C=C/Nc1ccccc1I)c1ccccn1 1201724 KNWRKELDDUUGSI-CSKARUKUSA-N 350.159 3.495 30 50 FGEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 19639603 WNXWQMZMCZXXRQ-IBGZPJMESA-N 352.434 3.415 30 50 FGEA O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CNC/C1=C\c1ccc([N+](=O)[O-])cc1 27646818 YUYPWAMLWZVHAE-KAVGSWPWSA-N 365.345 3.142 30 50 FGEA S=C(NCc1ccc2c(c1)OCO2)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 253623400 AOCOYSMUPRXTNV-QBBJAHKUSA-N 357.479 3.192 30 50 FGEA COC(=O)COc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1OC 71712290 OGCGLZBLSCDDQF-UHFFFAOYSA-N 369.421 3.060 30 50 FGEA N#Cc1nccnc1N1C[C@@]23CCCC[C@]2(CN(Cc2ccccc2)C3)C1 1875347198 KLJZWMRTXXQRLX-VXKWHMMOSA-N 359.477 3.231 30 50 FGEA Cc1nnc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C#N)c1C 277983986 MHVMITGUJQIZFJ-LLVKDONJSA-N 350.348 3.091 30 50 FGEA COc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](Cc3ccccc3)S2)cc1 1220057 ZNIWWKJMXCGAGB-OJSPLJLUSA-N 353.447 3.250 30 50 FGEA C=CCCC(=O)N(CCOC)CC1CCN(Cc2ccccc2OC)CC1 14972753 DVROJCOWLQJWKJ-UHFFFAOYSA-N 374.525 3.348 30 50 FGEA COC(=O)[C@H]1C(=O)/C(=C/Nc2cccc3ccccc23)C(=O)CC1(C)C 103855404 HEEBOADDVYUCLV-NKAIQICCSA-N 351.402 3.493 30 50 FGEA Cc1cc(C(=O)NCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 170004157 HJOJDCJQXDSFNI-UHFFFAOYSA-N 351.255 3.224 30 50 FGEA CCO[C@@H]1C[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C12CCCC2 252511748 KHYGHRMVIVAKKL-LTIDMASMSA-N 363.502 3.073 30 50 FGEA COc1ccc(C(=O)ON=C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4053262 UZIYXWRXLDDTDS-UHFFFAOYSA-N 369.377 3.417 30 50 FGEA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3ccccc3C#N)C2)CCC1=O 77470144 GQHLZTYTLOGAHL-JOCHJYFZSA-N 367.493 3.449 30 50 FGEA CCCCc1nnc(S)n1/N=C/c1cc(-c2cncnc2)ccc1OC 1875269683 NDTITHYSWKDZRF-SRZZPIQSSA-N 368.466 3.257 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1 6786255 KPVDLQVBJFDOIF-OAHLLOKOSA-N 361.781 3.158 30 50 FGEA N#Cc1cn[nH]c1NCc1cc(Br)cc(Br)c1O 4625813 IOEJAOVITMJGGD-UHFFFAOYSA-N 372.020 3.124 30 50 FGEA CSc1cccc(F)c1C(=O)Nc1cnn(-c2ncccc2C#N)c1 370004922 GNKZSWBNHSHLIL-UHFFFAOYSA-N 353.382 3.252 30 50 FGEA COCc1ncc(-c2cc(-c3c[nH]c4ccccc34)nc(N)c2C#N)cn1 71776894 ZRYTXHHDEGGCIZ-UHFFFAOYSA-N 356.389 3.287 30 50 FGEA CCn1nc2c(c1C(=O)N(C)CCc1cccc(C#N)c1)C[C@H](C)O[C@@H]2C 1875314495 ZGXKNFSHRSRIRF-LSDHHAIUSA-N 366.465 3.112 30 50 FGEA COc1cc2c(cc1OC)C1(CCN(c3cccc(C#N)n3)CC1)OCC2 1704340126 OIBWKKKFMWMZIL-UHFFFAOYSA-N 365.433 3.039 30 50 FGEA COc1cc(N/N=C/CCCN2C(=O)c3ccccc3C2=O)cc(OC)c1 22015527 SXXSYJBZNJJLOU-ZVBGSRNCSA-N 367.405 3.178 30 50 FGEA CC(C)N1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@H]1CCO 104464364 MAPWAZBGJWESGX-XMMPIXPASA-N 362.517 3.363 30 50 FGEA N#Cc1c(-c2cnc(NC[C@@H]3CCCO3)nc2)cc(-c2ccccc2)nc1N 67743745 SIQYXQDQQVSOHO-INIZCTEOSA-N 372.432 3.250 30 50 FGEA C/N=C(/O)c1cccc(CN2CCCC[C@H]2c2ccc(C(=O)NC)n2C)c1 328644079 RQDQWZLHDVXBDO-SFHVURJKSA-N 368.481 3.046 30 50 FGEA C[C@H](c1ccccc1)N1CC[C@@H](/N=C(/O)N2CCc3ccc(O)cc3C2)C1 328796468 DDOVIKPALXXAQA-OXQOHEQNSA-N 365.477 3.500 30 50 FGEA Cc1nn(C)c(C)c1C[C@@H](C)/N=C(/O)c1nnn(CC2CCCC2)c1C 329870318 BLIXIIXCRLSING-GFCCVEGCSA-N 358.490 3.063 30 50 FGEA N#C[C@H](C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CC1 129448769 OFJOIBPTJTYDSE-LJQANCHMSA-N 360.413 3.304 30 50 FGEA C=CCc1cc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)ccc1OC(C)C 1529147141 VBAMLIVJLNUXBM-CTNGQTDRSA-N 369.509 3.269 30 50 FGEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NC1CCCCCC1)C2 14752751 DJZWWUKYIDZJCL-GOSISDBHSA-N 370.541 3.475 30 50 FGEA CC/N=C1\S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1CC 2826496 CKQJAKDOSDBPAW-ZNZSVTJWSA-N 357.838 3.148 30 50 FGEA C=CCOc1ccccc1C(=O)N(Cc1ccncc1)C1CCN(C)CC1 1506422632 AHVXZLOLGWMCSV-UHFFFAOYSA-N 365.477 3.383 30 50 FGEA Cc1ccccc1C[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)NC1=O 4159470 QQCZBJUVGWLSFY-KOMLCTQHSA-N 366.490 3.225 30 50 FGEA CC1(C)C[C@H](/N=C(/O)N2CC[C@H](n3cccn3)C2)c2ccc(F)cc2O1 329806869 LKQPDSUZLLINRI-HOCLYGCPSA-N 358.417 3.485 30 50 FGEA C=CCOc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 820494617 RVXXDQYBBVLRII-UHFFFAOYSA-N 350.418 3.308 30 50 FGEA N#CCSCC(=O)N1CCCc2c(Br)c(F)cc(F)c21 415909949 UYQYHHQCVPDSEC-UHFFFAOYSA-N 361.211 3.263 30 50 FGEA O=C(O)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 19771577 OJINCFKHXHQHCZ-GOSISDBHSA-N 365.385 3.130 30 50 FGEA Cn1ccnc1[C@@H]1CCN(/C(O)=N/C[C@H]2CCCC[C@H]2C(F)(F)F)C1 329702387 IBUZNXOKQYMMPE-MGPQQGTHSA-N 358.408 3.492 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)C2)nc1 332974565 FQJVTTWSGDYXQM-BRSBDYLESA-N 354.454 3.085 30 50 FGEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 1025518 CNPRPPLXCIYPQR-YJYMSZOUSA-N 373.474 3.438 30 50 FGEA O=[N+]([O-])c1ccc(/C=N/Nc2ncc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1 4947314 PXBOQLAXPUDEMP-AWQFTUOYSA-N 364.321 3.406 30 50 FGEA CCO[C@@H]1C[C@H](/N=C(/O)N2CCCC[C@@H]2[C@@H]2CN=C(O)C2)C12CCCC2 328968888 UGOVTNMKYHCJMS-VVLHAWIVSA-N 363.502 3.469 30 50 FGEA CC(C)/C(N)=N/O[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 128402691 QFTKQDMLVLFMOZ-CQSZACIVSA-N 357.376 3.141 30 50 FGEA COc1cc(F)c(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)cc1OC 71759826 RVRIRJMATHIICR-UHFFFAOYSA-N 367.384 3.068 30 50 FGEA CC(C)n1cc(C#N)c(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1 160986840 ATEQTTVFYBFIFG-KRWDZBQOSA-N 351.454 3.186 30 50 FGEA Cn1cc(C(O)=Nc2ccc3c(c2)S(=O)(=O)CC3)c(C2CCCCC2)n1 330068674 VQDAXPLELXQLBF-UHFFFAOYSA-N 373.478 3.434 30 50 FGEA C=CCNC(=O)N1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 71770358 OUEACWCONCJCIR-UHFFFAOYSA-N 353.809 3.420 30 50 FGEA N#CC1(c2ccccc2)CCC(NC[C@@H](C(=O)O)C2CCOCC2)CC1 863742124 DESRVWLESOILEO-OBXNSHGQSA-N 356.466 3.108 30 50 FGEA C=CCN1CC[C@@H](CNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 584886438 GQRMBLZRGKLGBZ-HNNXBMFYSA-N 355.404 3.355 30 50 FGEA Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C#N)cc1)c1ccccc1F 1875253362 AMIYUUZGJBOXQV-CMKODMSKSA-N 374.419 3.440 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(Cl)c1 5045097 KYNPDRUIKYJKIU-OAHLLOKOSA-N 361.781 3.158 30 50 FGEA CCCn1ncc(/C(O)=N/[C@@H]2CCCN(c3ccc(C)nn3)C2)c1C1CC1 328969674 OHKNYIONTDTKPF-MRXNPFEDSA-N 368.485 3.243 30 50 FGEA C=C(Cl)CCC(=O)NC[C@@H](C)CNC(=O)c1ccc2ccncc2c1 2325868283 VMCRVHJQALLTQV-CYBMUJFWSA-N 359.857 3.250 30 50 FGEA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C\c1cc(OC)ccc1O 104212322 BMYDPYFIJBSWEN-WQFTWXBESA-N 352.390 3.085 30 50 FGEA CC1(C)C[C@H](/N=C(/O)N2CC[C@@H](n3cccn3)C2)c2ccc(F)cc2O1 329806870 LKQPDSUZLLINRI-ZBFHGGJFSA-N 358.417 3.485 30 50 FGEA Cc1nc(-c2ccccc2)c(C#N)c(-n2nc(C)c3ccccc3c2=O)n1 221531595 WQTZPEADWJXSRA-UHFFFAOYSA-N 353.385 3.331 30 50 FGEA Cc1cc(C)c(C#N)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 1062255 HWQKZUMQTATZHI-UHFFFAOYSA-N 369.446 3.103 30 50 FGEA C[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c2ccccc21 126088585 MDYSJTCUSWKBHW-HNNXBMFYSA-N 357.417 3.306 30 50 FGEA Cc1cc(C#N)cnc1N1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C)C3)CCC[C@@H]12 1875405618 KOMBLESWIQCILU-QMLHBMHXSA-N 352.482 3.316 30 50 FGEA O=[N+]([O-])c1cc(/C=N/n2c(S)nnc2-c2ccncc2)ccc1Cl 15988012 WNDZOBSCDGFUGG-CAOOACKPSA-N 360.786 3.073 30 50 FGEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CCC(CO)(c2ccccc2)CC1 2325807796 SYPLVRZTPFFGOC-NQIIRXRSSA-N 359.510 3.283 30 50 FGEA N#Cc1cnn2c(=O)nc(SCc3csc4c(Cl)cccc34)[nH]c12 2325863627 QKIVQYFGEPSTIM-UHFFFAOYSA-N 373.850 3.450 30 50 FGEA C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(F)c1F 133859492 UUPGLKYODUNYHV-AWEZNQCLSA-N 370.403 3.429 30 50 FGEA N#Cc1ncccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 432306849 JWCSZRPRFIOCHM-GFCCVEGCSA-N 367.352 3.198 30 50 FGEA Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1)c1ccccc1F 1875253363 AMIYUUZGJBOXQV-NLWGTHIKSA-N 374.419 3.440 30 50 FGEA C#CCCC1(CCNC(=O)c2cccc(N=S3(=O)CCCC3)c2)N=N1 1875381163 MDNCOTQQZQWRMO-UHFFFAOYSA-N 358.467 3.275 30 50 FGEA O=C(N1CCCC1)N1CCC[C@@H](/C(O)=N/Cc2ccc3c(c2)COC3)C1 330339591 WVIXOUXOYMJFHK-MRXNPFEDSA-N 357.454 3.101 30 50 FGEA CC[C@H](C)[C@H](/N=C(/O)N1CCNC(=O)[C@H]1c1ccccc1)C(F)(F)F 331325476 NXOIOPDNRGGILF-YUTCNCBUSA-N 357.376 3.051 30 50 FGEA CN(C)c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 940895 WDGWGTIAHCYDIE-SRZZPIQSSA-N 352.463 3.285 30 50 FGEA CC(C)c1ccc(-n2cc(C(C)(C)NC(=O)CC3(C#N)CC3)nn2)cc1 1875353689 CGSIFAKNLHBGQM-UHFFFAOYSA-N 351.454 3.436 30 50 FGEA Fc1cccc(F)c1[C@@H]1CNC(=NCc2cc(OC3CCC3)ccn2)N1 1875405747 NOIUCKBDZHIXBB-KRWDZBQOSA-N 358.392 3.081 30 50 FGEA C#CCCC1(CCNC(=O)c2cccc3nc(O)n(CC(C)(C)C)c23)N=N1 2325887360 KHKWXYWYZAWTJO-UHFFFAOYSA-N 367.453 3.483 30 50 FGEA CC(C)(C)OC(=O)N1CCN(c2oc(-c3cccs3)nc2C#N)CC1 170623828 NFXYZIPUKSMCRQ-UHFFFAOYSA-N 360.439 3.332 30 50 FGEA Cc1cnn([C@@H]2CCN(/C(O)=N/[C@H](C)[C@H]3CCCN(C4CCC4)C3)C2)c1 329544034 FTGNSIRDHQYOIA-ZIFCJYIRSA-N 359.518 3.005 30 50 FGEA C=CCn1cc([C@H]2C[C@@H](NC(C)=O)C[C@@H](c3cc(F)cc(F)c3)O2)cn1 1073357372 GPGMLFDNBGHAAP-GBESFXJTSA-N 361.392 3.445 30 50 FGEA Cc1ccc(CN2CCN(/N=C/c3ccc(C(=O)O)cc3)CC2)c(C)c1 5091816 ZFGRDCJWKYHPFY-HYARGMPZSA-N 351.450 3.153 30 50 FGEA C=C(Cl)CCC(=O)N1CCN(C(=O)c2ccc(CCF)cc2)CC1 2325868225 SRGIGGRSUDMZDB-UHFFFAOYSA-N 352.837 3.016 30 50 FGEA N#Cc1ccccc1CN1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1 2356150895 DYIBMRITDGIXJP-UHFFFAOYSA-N 360.461 3.411 30 50 FGEA N#Cc1ccc(N2CCN(c3cncc4ccccc34)CC2)c([N+](=O)[O-])c1 225535257 CYTNNYSTFPXKQI-UHFFFAOYSA-N 359.389 3.341 30 50 FGEA N#Cc1ccc(C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)cn1 67755501 ICPDAHLGMQJRAS-UHFFFAOYSA-N 371.444 3.287 30 50 FGEA Cc1noc(C)c1CO[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 368833447 HZFYHXLIZOZPPS-QGZVFWFLSA-N 350.422 3.207 30 50 FGEA C#CCCC1(CCC(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)OCC)N=N1 2325892745 ZURYRRKNLMMVKW-LBPRGKRZSA-N 374.466 3.420 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H]2[C@@H]3CC[C@H]2N(Cc2ccccc2)C3)N=N1 2325892871 MADDXYMTWOZIMA-QWFCFKBJSA-N 350.466 3.121 30 50 FGEA CC[C@H]1CCc2c(sc(NC(=O)C3CCN(C(C)=O)CC3)c2C#N)C1 6731634 MJVHHACPCWUNJZ-ZDUSSCGKSA-N 359.495 3.332 30 50 FGEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](CC)n1cccn1 55253073 SKQMVLGEESRNOC-INIZCTEOSA-N 351.410 3.099 30 50 FGEA C=CCC(O)(CC=C)CNC(=O)CCC(=O)Nc1ccc(F)c(Cl)c1 55310739 UPIMYMGKMCPWCI-UHFFFAOYSA-N 368.836 3.197 30 50 FGEA O/C(=N/CCc1ccccc1OC(F)F)N1CCOC[C@@H](C2CCC2)C1 330227436 UWTYAVHPESHLAS-INIZCTEOSA-N 368.424 3.493 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCc3ccccc3C1)CC2 91625796 CHUNRKBOHADBCM-HXUWFJFHSA-N 366.505 3.209 30 50 FGEA N#Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccco3)C2)c(F)c1 97743510 NLCWPVCBAFXTAG-OAHLLOKOSA-N 356.401 3.324 30 50 FGEA Cc1ccc(C#N)c(N2CCC(c3nccn3Cc3cscn3)CC2)n1 91518994 BLEHRYQVDJDMDZ-UHFFFAOYSA-N 364.478 3.347 30 50 FGEA CC(C)(C)OC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 170024447 UPDWDCOAUJYOTG-UHFFFAOYSA-N 359.275 3.279 30 50 FGEA in-vitro Sc1nnc(-c2ccncc2)n1/N=C/c1cccc(Br)c1 1475277 JQYDGOFIXVKPEI-RQZCQDPDSA-N 360.240 3.274 30 50 FGEA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccccc1C#N)CC2 1857677033 PMJXMEVZFLUVBT-UHFFFAOYSA-N 356.429 3.200 30 50 FGEA N#Cc1cc(N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)nc2ccc(Cl)cc12 2325785921 UNGNZWZAGDGVHZ-JBBXEZCESA-N 367.840 3.208 30 50 FGEA COc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)c2C#N)cc1OC 1054670 JQNRGSHUUAWEGP-OAHLLOKOSA-N 358.419 3.421 30 50 FGEA C=C(C)COc1cccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 118817089 UZGIVNIOBCLVFP-GOSISDBHSA-N 373.497 3.218 30 50 FGEA CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 1530751 XIQVNETUBQGFHX-JOCHJYFZSA-N 357.494 3.343 30 50 FGEA biogenic,fda Cc1cccc2c(CC(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)c[nH]c12 328588167 YLHOVLSWBRAOCJ-NQIIRXRSSA-N 351.450 3.473 30 50 FGEA COc1cc(N2CCC[C@@H](c3n[nH]cc3N=C(O)C3CCCC3)C2)ncn1 330041085 GAGSJVZYGLAEPQ-CQSZACIVSA-N 370.457 3.371 30 50 FGEA Cn1ncc(/C(O)=N/C2CC(N3CCCCC3)C2)c1Cc1ccccc1 330106300 KQZSWDKRZXJJGS-UHFFFAOYSA-N 352.482 3.332 30 50 FGEA Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C#N)N2C=Cc4ccccc4[C@@H]32)c1 245313085 ZVGKWEKTPTUDPT-TUFLPTIASA-N 369.424 3.342 30 50 FGEA N#C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)C1 534650515 YBIDTNNBNMUDOD-QGZVFWFLSA-N 371.444 3.369 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)N=N1 2325891381 CAOSLPRDMSPJCA-UHFFFAOYSA-N 367.327 3.187 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](Cc2ccccc2)CN2CCCC2)N=N1 2325899841 AJEALYSYTRLFCT-LJQANCHMSA-N 352.482 3.165 30 50 FGEA C=CCN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 55385390 OEELILXSNBZQPT-SFHVURJKSA-N 352.434 3.151 30 50 FGEA CN1CCOc2cc(N=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)ccc21 328589904 NQCJLNDJQVNODU-INIZCTEOSA-N 365.433 3.152 30 50 FGEA C[C@@H]1CC(C)(C)[C@H](C/N=C(/O)C2(C)COC2)[C@@H]1/N=C(/O)C1(C)COC1 329322903 HFOMXZXHQATEQX-MGPQQGTHSA-N 352.475 3.023 30 50 FGEA Cc1nc(CC(C)C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)s1 130313259 JCGPBEHNTYSVTG-UHFFFAOYSA-N 368.506 3.484 30 50 FGEA C=CCN1CC2(CCC1=O)CCN(C(=O)COc1cccc(C)c1C)CC2 91425362 RXGXOGPJISOWCG-UHFFFAOYSA-N 370.493 3.099 30 50 FGEA CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C#N)CC1 95081639 JIAQPOMQFNJYDQ-UHFFFAOYSA-N 366.259 3.378 30 50 FGEA C#CCCC1(CCC(=O)N2CCC3(CC2)OCCc2ccccc23)N=N1 952881630 QOGVWOARWZTTHW-UHFFFAOYSA-N 351.450 3.433 30 50 FGEA C#CCCC1(CCNC(=O)c2ccc3nnc(-c4ccccc4)n3c2)N=N1 2325891701 WPPSGBODCBTBLO-UHFFFAOYSA-N 358.405 3.092 30 50 FGEA CO/N=C(\C)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20404904 OLABTGXLCHXHHW-SBZQOHANSA-N 350.728 3.333 30 50 FGEA O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccccc1)c1cccs1 13551704 UITRBHYSXMGGNJ-CYBMUJFWSA-N 369.427 3.383 30 50 FGEA N#Cc1ccccc1-c1ccc(-c2cn(CCc3csc(N)n3)nn2)o1 91755856 FIYPDYRDEJWBSW-UHFFFAOYSA-N 362.418 3.358 30 50 FGEA C[C@H](NC(=O)c1cccc(-c2ccc(C3(C#N)CCCC3)cc2)c1)C(N)=O 534629949 RHCJVJNZPZHKKJ-HNNXBMFYSA-N 361.445 3.293 30 50 FGEA C#CCCC1(CCC(=O)N[C@H]2CCc3nc(-c4ccccc4)cn3C2)N=N1 1875369096 ZFQONQLXHBWZQJ-KRWDZBQOSA-N 361.449 3.337 30 50 FGEA COc1cc(/C(N)=N/OCc2c(C)nn(-c3ccccc3)c2Cl)ccn1 170653736 ZOTYFFYIFGGFEA-UHFFFAOYSA-N 371.828 3.075 30 50 FGEA COC(=O)[C@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 778539456 YCGJYTREVXDEHU-MRXNPFEDSA-N 354.749 3.154 30 50 FGEA N/C(=N\OC(=O)c1ccc(F)cc1)c1ccc(CN2CCCCC2)cc1 4784781 KVCWZZOIWHVPDT-UHFFFAOYSA-N 355.413 3.289 30 50 FGEA Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccnc2)cc1 18240727 YXDRGWOHEHDGDY-OXJNMPFZSA-N 357.417 3.397 30 50 FGEA N#Cc1cccnc1-c1cccc(-c2ccn(CCCN3CCOCC3)n2)c1 20866105 QKRLIQCEGHZVPY-UHFFFAOYSA-N 373.460 3.206 30 50 FGEA COc1cccc(-n2cc(CN(C)C(=O)c3cc(F)cc(C#N)c3)cn2)c1 72428766 VDXUGHJELSEZMS-UHFFFAOYSA-N 364.380 3.164 30 50 FGEA C=C(C)Cn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8441212 VHDCIEFVVLVXDB-UHFFFAOYSA-N 364.515 3.452 30 50 FGEA N#Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)nc1 72454323 HZIMMTLBMQLOBE-QFIPXVFZSA-N 360.461 3.362 30 50 FGEA CN(Cc1c[nH]c(C#N)c1)CC1CCN(CCc2cccc(F)c2)CC1 95531131 QQECSJNBZMIDRA-UHFFFAOYSA-N 354.473 3.412 30 50 FGEA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2)cc1 4282134 GJHTWHPIDQUWSE-FYJGNVAPSA-N 371.462 3.252 30 50 FGEA CCc1nn(-c2ccccc2)c(NC(=O)C2=CC(=O)CC(C)(C)O2)c1C 55343563 ZZJXJWFGLGUUOZ-UHFFFAOYSA-N 353.422 3.334 30 50 FGEA O=C1CCC(c2ccccc2)=C1CC(=O)N(CCO)Cc1cccs1 1506419153 YQNSFGJGDAAVMF-UHFFFAOYSA-N 355.459 3.276 30 50 FGEA C[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2C1=CC[C@H]2C[C@H]1C2(C)C 245324831 AFQQUICKZPLXEB-OQLGVYHVSA-N 350.422 3.281 30 50 FGEA CC1CCC(C(=O)N[C@H]2C[C@@H]3CN(c4ccncc4C#N)C[C@@H]3C2)CC1 1875339081 VNKYKKUXPZQGGK-LINSHTSCSA-N 352.482 3.111 30 50 FGEA Cn1cncc1C#Cc1ccc2[nH]c3c(c2c1)-c1nc(=N)[nH]cc1CCCC3 1875376295 RJGQMICHNOAJAA-UHFFFAOYSA-N 368.444 3.050 30 50 FGEA Cc1cc(C)nc(/N=C(/N)Nc2ccc(NC(=O)c3ccccc3)cc2)n1 5695940 HUEUOEGDTZYYDW-UHFFFAOYSA-N 360.421 3.404 30 50 FGEA CN(C)/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 100542350 KFKKEUDYASHZLZ-ICFOKQHNSA-N 367.268 3.146 30 50 FGEA C#CCN(Cc1ccco1)C(=O)c1cc(Cc2cccc(OC)c2)no1 11841067 HEWWVULQOQGNHJ-UHFFFAOYSA-N 350.374 3.143 30 50 FGEA C=CC(C)(C)OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 12421370 QZCRPJURQJSVSZ-QGZVFWFLSA-N 352.906 3.113 30 50 FGEA N#Cc1cccnc1NCCOC(=O)c1ccnc2cc(Cl)ccc12 2325854500 HCPXZERLZJFPNQ-UHFFFAOYSA-N 352.781 3.424 30 50 FGEA CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 59529254 QPXXPLNAYDQELM-KXKYQLMZSA-N 354.487 3.475 30 50 FGEA in-vitro OCC[C@H](/N=C(/O)c1ccc(Br)c(F)c1)C1CCOCC1 330908353 UCCLIOZTRGGWMM-AWEZNQCLSA-N 360.223 3.070 30 50 FGEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)Nc1ccc(F)cn1 328631233 QQJZPLFAGATAGZ-VIFPVBQESA-N 357.311 3.025 30 50 FGEA N#Cc1[nH]c(=O)n(-c2ccc(Cl)cc2)c(=N)c1/N=C/c1ccc(F)cc1 100413503 DZUCQEFXNKLKIK-AANSTMGCSA-N 367.771 3.060 30 50 FGEA COc1ccccc1N1CCN(/N=C/c2cc([N+](=O)[O-])ccc2Cl)CC1 1214453 OHIWMONPLSSPLM-DEDYPNTBSA-N 374.828 3.413 30 50 FGEA CC1=C/C(=N\S(=O)(=O)c2ccccc2)C(Br)=C(C)C1=O 15857007 SHNZMYBHWZBTDP-FOWTUZBSSA-N 354.225 3.014 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(c3ccccc3C(=O)O)CC2)N=N1 952876351 NSWNSMWVMSKEJT-UHFFFAOYSA-N 353.422 3.447 30 50 FGEA C/C(=N/OC(=O)c1ccccc1I)c1ccccn1 4724638 PSTSNNBDXOILEM-YVLHZVERSA-N 366.158 3.267 30 50 FGEA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C#N)nc3)CC2)C1 95371862 XFZVPQRRPCVVKD-HXUWFJFHSA-N 374.488 3.295 30 50 FGEA Cn1cc(C[N@]2C[C@@H]2COc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 1875385467 UBYHMKAZTQNWDC-IQGLISFBSA-N 360.417 3.347 30 50 FGEA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C2 895269108 DQZGPDVPOAMALQ-RDBAUFEQSA-N 356.514 3.142 30 50 FGEA OCCC#Cc1ccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)cc1 19732866 FMQTWFHKHBWCJM-QFIPXVFZSA-N 366.480 3.314 30 50 FGEA C=CCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c(O)c2ccccc21 100509351 ZSPNXMNSMFLTLY-UHFFFAOYSA-N 368.820 3.477 30 50 FGEA C=CCN1C[C@H](C(=O)N(CC)Cc2cc(Cl)ccc2OC)CCC1=O 55153874 FWGZPCABLWDUCR-CQSZACIVSA-N 364.873 3.122 30 50 FGEA C=CCn1c(=O)c(C(=O)Nc2ccccc2OC)c(O)c2ccccc21 100459864 ZWSGQVWEIZLBHU-UHFFFAOYSA-N 350.374 3.154 30 50 FGEA Cc1nc2ccccn2c1CN(C)C(=O)c1cccc(C#CC(C)(C)O)c1 217682711 ZPDPWNYUOHWNSF-UHFFFAOYSA-N 361.445 3.037 30 50 FGEA CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 426434526 RQSSNHOZDGHZPA-UHFFFAOYSA-N 353.397 3.009 30 50 FGEA C=CC[C@@]1(CO)CCCN(Cc2c(-c3cc(C)on3)nn(C)c2Cl)C1 91725029 NVUIPVYMYIEYNQ-GOSISDBHSA-N 364.877 3.188 30 50 FGEA N#CC1(CCCSc2nncn2CCc2ccccn2)CCOCC1 225571401 FJVRZMOBKNVMHX-UHFFFAOYSA-N 357.483 3.108 30 50 FGEA C=CCc1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1O 1187521 HJAHMGYBQNJDRN-WOJGMQOQSA-N 350.827 3.087 30 50 FGEA N#Cc1cc(N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)nc2ccc(Cl)cc12 2325785922 UNGNZWZAGDGVHZ-NXOUGTEYSA-N 367.840 3.208 30 50 FGEA CCN(CC)C(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCC2 663988 IUIAVDFHJJYZJL-UHFFFAOYSA-N 357.401 3.421 30 50 FGEA CC(=O)Nc1ccc(/C=N/CC/N=C/c2ccc(NC(C)=O)cc2)cc1 104180311 WXSYKXUJWRCMHQ-JFMUQQRKSA-N 350.422 3.141 30 50 FGEA C=CCN1CCC(n2nccc2NC(=O)[C@@H](OC)c2ccccc2)CC1 67713722 BFQFLZKWGLZFGI-IBGZPJMESA-N 354.454 3.032 30 50 FGEA Cn1nc(C(O)=Nc2nc3ccccc3nc2N2CCCC2)cc1C1CC1 329625149 SQIIXZDMNCBKKY-UHFFFAOYSA-N 362.437 3.477 30 50 FGEA COc1cc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1C#N 367688981 PXBBOCIRJOFTKN-OAQYLSRUSA-N 354.425 3.133 30 50 FGEA O=C(O)c1cccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)o2)c1 13800425 UJCGINKTRBXMAN-VXLYETTFSA-N 352.306 3.394 30 50 FGEA COc1cccc([C@@H](O)C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 163919107 DHMGDXKSAUDNRM-JKSUJKDBSA-N 365.216 3.416 30 50 FGEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 1025516 CNPRPPLXCIYPQR-BFUOFWGJSA-N 373.474 3.438 30 50 FGEA C=CCN(c1ccc(C(=O)NCCC2=CCCCC2)cc1)S(C)(=O)=O 2875423 CNFUBYRMFFXSCG-UHFFFAOYSA-N 362.495 3.259 30 50 FGEA N#Cc1ccccc1N1CCN(C(=O)c2ccc3sccc3c2)CC1=O 82126939 JAEOSEWHQVTHDX-UHFFFAOYSA-N 361.426 3.262 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91736975 WPLRJRQRVQSGQN-GOSISDBHSA-N 371.444 3.218 30 50 FGEA Cc1ccccc1C1(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)CC1 328627220 FWKARQYNVKKLGG-UHFFFAOYSA-N 356.466 3.311 30 50 FGEA COc1cc(OC)c(C=Nn2c(S)nnc2-c2ccccc2)c(OC)c1 239030860 CLJWGOFDPZICCW-UHFFFAOYSA-N 370.434 3.142 30 50 FGEA N#Cc1ccc(NC(=O)NCC2(N3CCOCC3)CCCCCC2)c(F)c1 96137066 QUKPMWJQUQCXTJ-UHFFFAOYSA-N 374.460 3.244 30 50 FGEA CSc1nnc(C(F)F)n1/N=C/c1cc(O)ccc1Br 2788810 IFRKYDMJOHJLPK-PJQLUOCWSA-N 363.187 3.288 30 50 FGEA CN1CCN(CCCC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1 244723695 MFPXRJGGZCHGTP-NRFANRHFSA-N 362.477 3.266 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC(CCC(=O)NC3CC3)CC2)cc1 12031199 ALXWAYBGZYMVFB-UHFFFAOYSA-N 368.521 3.080 30 50 FGEA C#CCCC1(CCN2CCC(C(=O)NCCc3cccs3)CC2)N=N1 2325892008 XKJMAPCKUGWRBX-UHFFFAOYSA-N 358.511 3.084 30 50 FGEA O=C(O)c1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 4951587 FLBXWTWXPDPMRR-FYJGNVAPSA-N 357.841 3.190 30 50 FGEA CCCCCC(=O)/C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 27641383 LOLJEILMPWPILA-FCWDUQFXSA-N 352.471 3.251 30 50 FGEA in-vitro C=CC[C@@H]1CC=C[C@@H](C)N1Cc1cnc(S(C)(=O)=O)n1CC(C)C 12445583 MRQZWCOPPOCVPO-HZPDHXFCSA-N 351.516 3.038 30 50 FGEA CCCN1CCc2nc(N)c(C#N)c(-c3cn(C)nc3-c3ccccc3)c2C1 72157123 PHLOZTNAMIFMPP-UHFFFAOYSA-N 372.476 3.371 30 50 FGEA COc1cccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c1O 252428200 UJHCJSPGCTUIKK-UHFFFAOYSA-N 353.466 3.169 30 50 FGEA N#Cc1ccccc1C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1 952967185 YJLNJIDDLKEXLC-LJQANCHMSA-N 350.418 3.258 30 50 FGEA CCCCCC(=O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H](O)C[C@H]1O 27641154 LOLJEILMPWPILA-WZDCOHRSSA-N 352.471 3.251 30 50 FGEA in-vitro COc1ccccc1N1CCN(C[C@@H](S)COCc2ccccc2)CC1 2686891 PEZAIKIVZPHSCQ-LJQANCHMSA-N 372.534 3.332 30 50 FGEA CC(=O)N(C1=C(N(C)C)C(=O)c2ccccc2C1=O)c1cccc(F)c1 4819493 LTEZUOLHQKNOCI-UHFFFAOYSA-N 352.365 3.031 30 50 FGEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 4842375 UMFYEFWNVCNCEF-IBGZPJMESA-N 374.223 3.434 30 50 FGEA Cc1ccc(OC2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 116882928 FVHFRMMUMMRVAY-UWJYYQICSA-N 357.498 3.281 30 50 FGEA CN(C[C@@H](O)c1ccc(C#N)cc1)C1CCN(c2cccc(F)c2)CC1 360038710 WHFREIOGODHARI-OAQYLSRUSA-N 353.441 3.332 30 50 FGEA CCC(=O)Nc1ccc(/C(C)=N\NS(=O)(=O)c2ccc(C)cc2)cc1 13108558 LHMLDNHENMNJKV-ZHZULCJRSA-N 359.451 3.046 30 50 FGEA N#Cc1c(-c2cccc(CN3CCOCC3)c2)cc(-c2ccc[nH]2)nc1N 71661675 NZMBFGDRMHZPRM-UHFFFAOYSA-N 359.433 3.030 30 50 FGEA CCOC(=O)c1cnc(N/N=C/c2ccc(N(CC)CC)cc2)nc1C 252480687 CCYJFJGZUBVHCU-CIAFOILYSA-N 355.442 3.254 30 50 FGEA COc1ccc(CN2C(=O)C[C@@H](C(=O)O)S/C2=N/c2ccccc2)cc1 100359154 IEZLYCNEFIVGDT-QBNCKDSPSA-N 370.430 3.302 30 50 FGEA COCc1ccc([C@H]2CCCN2[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 131408983 QSCOGUVBHXDMKB-DOTOQJQBSA-N 359.470 3.294 30 50 FGEA C[C@H]1CN(c2ccc3cc(C#N)c4nc5ccccc5n4c3n2)C[C@@H](C)N1 1772588265 HFQPEPQECNSOFF-OKILXGFUSA-N 356.433 3.094 30 50 FGEA C=CCOCC(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 952892281 NFLLWDTVTMQDQX-UHFFFAOYSA-N 357.429 3.125 30 50 FGEA Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 19209024 WFSHPMXCYLQGOZ-LJQANCHMSA-N 364.445 3.135 30 50 FGEA Cc1c(C#N)c(N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)nc2ccccc12 2356145457 CSPOYYQTRGYBHW-JOCHJYFZSA-N 370.460 3.102 30 50 FGEA O=C(O)[C@](F)(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F 100698839 UEMCEVFIBUIDFT-REOHCLBHSA-N 359.066 3.071 30 50 FGEA C=CCn1ncc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)c1C 67691107 XNGGTYXWRRSKKQ-UHFFFAOYSA-N 361.405 3.275 30 50 FGEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1ccnc(OC)c1C#N 67514891 VRYOGPMWYASNIK-QGZVFWFLSA-N 352.438 3.202 30 50 FGEA C=CCn1c(SCC(N)=O)nnc1-c1ccc(OC2CCCC2)cc1 17074002 CNLYQESOOMVBAT-UHFFFAOYSA-N 358.467 3.030 30 50 FGEA CC(C)Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)cc1 82139232 REMIRDWPEJXARW-UHFFFAOYSA-N 361.445 3.246 30 50 FGEA N#Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2Br)n1 1875316738 DLIKHTXHCMADTQ-UHFFFAOYSA-N 372.631 3.170 30 50 FGEA COc1cccc2c1C1(CCN(C(=O)c3ccccc3C#N)CC1)OCC2 1704343544 JDCAYIOMYBMLLO-UHFFFAOYSA-N 362.429 3.271 30 50 FGEA Cc1ccc(S(=O)(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1 169745874 RGAZOXRZFCGICF-UHFFFAOYSA-N 373.283 3.095 30 50 FGEA C[C@@H]1[C@@H](N/C(O)=N/Cc2ccnc(OC3CCOCC3)c2)CCC[C@H]1C 329408629 ZZDVZCCZVLASPL-VKJFTORMSA-N 361.486 3.468 30 50 FGEA CC1=C(/C(O)=N/[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CCC1 330198826 UQNAJGLXSZUDJT-CYBMUJFWSA-N 354.497 3.358 30 50 FGEA C#C[C@H](NC(=O)[C@@H]1OC(=O)c2ccccc21)c1ccc(Br)cc1 2325829591 NMEWBSAHSPZUEC-JKSUJKDBSA-N 370.202 3.151 30 50 FGEA Cc1nc2ccc(N(C)C(=O)c3cc(-c4ccc(C#N)cc4)nn3C)cc2[nH]1 2332239321 HICMEZMZKSMGMG-UHFFFAOYSA-N 370.416 3.420 30 50 FGEA C=CCn1nnc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)n1 9050960 KKORTLYSVGBHEN-UHFFFAOYSA-N 374.198 3.134 30 50 FGEA Cc1ccc(S(=O)(=O)OCCCn2c(C)cc3ccccc3c2=O)cc1 45069066 HULZWHQFCFQEDH-UHFFFAOYSA-N 371.458 3.414 30 50 FGEA N#Cc1cccc(N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)n1 95526147 TZPGVWKQAXQANE-UHFFFAOYSA-N 366.440 3.405 30 50 FGEA C=CCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 12306397 YGHDFZRZLWWJNL-KRWDZBQOSA-N 351.406 3.380 30 50 FGEA C=C(C)CNC(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12592595 QFGQYKDYDMDKFA-AWEZNQCLSA-N 354.372 3.136 30 50 FGEA N#Cc1ccc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)cc1Cl 818144002 BAAHKDVWADTJCS-SFHVURJKSA-N 358.829 3.046 30 50 FGEA Cc1ccc(S(=O)(=O)OCCCCCNC(=O)OC(C)(C)C)cc1 22052593 RAOOQXZPVIXTHJ-UHFFFAOYSA-N 357.472 3.395 30 50 FGEA in-vitro C#CCCC1(CCNC(=O)Cc2c(CC)cc(C(=O)O)cc2CC)N=N1 2325901222 YLYLCXUHJYWBGC-UHFFFAOYSA-N 355.438 3.134 30 50 FGEA CC(C)N1CCN(c2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2)CC1 332396924 QAMCMUYUQHQJJM-HXUWFJFHSA-N 368.525 3.371 30 50 FGEA CN(C)N1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 1422750 HFJJFFPJNFPAAN-CQSZACIVSA-N 357.410 3.031 30 50 FGEA N#C[C@@H]1CN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)C[C@H]1c1ccccc1 329499843 VQNCVFUUPDEQAY-IZKTWJBDSA-N 364.367 3.108 30 50 FGEA COc1ccc(-c2cc(-c3ccc(OC)nc3)nc(N)c2C#N)c(OC)c1 71755521 SVHJUWCNYDUBIS-UHFFFAOYSA-N 362.389 3.290 30 50 FGEA CC/N=C1\S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC 13427595 JSCQQZUIHMITGK-FWORZXNSSA-N 373.400 3.374 30 50 FGEA CCn1ccnc1[C@H]1OCCC[C@@H]1NC(O)=Nc1cnc2c(c1)CCCC2 330325706 JLJZHGNBMUAWCB-ROUUACIJSA-N 369.469 3.232 30 50 FGEA COc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1OC 1429751 DEBCOJFILVTJBK-CQSZACIVSA-N 372.465 3.140 30 50 FGEA CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1 328591426 NQRMWGPDIQEXBT-UDJSKEQPSA-N 374.506 3.270 30 50 FGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(CCn2cc(Cl)cn2)C1 1875245763 PJKCFIPBLAEURG-MRXNPFEDSA-N 374.872 3.208 30 50 FGEA CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccc(F)cc2)CC1 1406088 QHORVLKSGCSXOI-UHFFFAOYSA-N 350.393 3.301 30 50 FGEA O=C(/N=C(/Cn1cncn1)NNc1ccccc1)Nc1ccc(Cl)cc1 5279415 SDXPBTLLPXTAOV-UHFFFAOYSA-N 369.816 3.179 30 50 FGEA CC(C)CS(=O)(=O)CCNC(=O)c1cccc(-c2ccc(C#N)cc2)c1 426421187 OYLDSIMUJZHFJN-UHFFFAOYSA-N 370.474 3.026 30 50 FGEA Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C#N)cc1)c1ccccc1F 1875253365 AMIYUUZGJBOXQV-WSTZPKSXSA-N 374.419 3.440 30 50 FGEA O=C(C#Cc1ccccc1)N1CCC[C@](CO)(CCOc2ccccc2)C1 12385664 BVIQQAPXMDFJTJ-QHCPKHFHSA-N 363.457 3.108 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@]3(C(=O)OCC)CCCC[C@H]23)N=N1 2325892789 CWQGYAFWWRNLHY-LPHOPBHVSA-N 359.470 3.457 30 50 FGEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 100245278 WZBAEDGOHDNMGV-UZLBHIALSA-N 367.445 3.377 30 50 FGEA biogenic CCCCc1nc(C)cc(NCCNC(=O)Nc2ccc(C#N)cc2F)n1 96179724 GAQPGXQFHURRNP-UHFFFAOYSA-N 370.432 3.372 30 50 FGEA C=CCN1CC[C@@H](CNC(=O)c2ccc(-c3cc(C)c(C#N)c(C)n3)cc2)C1 584899012 KRUANHCRORYQCQ-SFHVURJKSA-N 374.488 3.475 30 50 FGEA Cc1nsc(NC[C@@]2(CNC(=O)c3ccoc3)CC23CCC3)c1C#N 1875408014 MNTKNIULUPQZLQ-SFHVURJKSA-N 356.451 3.319 30 50 FGEA C[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1ccc2c(c1)OCCCO2 1506396668 VXASFFSUXXJRJH-CQSZACIVSA-N 369.417 3.054 30 50 FGEA COc1cccc(CN2CCC[C@H](COc3ccc(C#N)cc3OC)C2)n1 1857738956 GJQQWMGBEDMRSP-KRWDZBQOSA-N 367.449 3.261 30 50 FGEA C=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(O)c(OCC)c2)CC1 795476 ZKJYLKKORLKNGD-UHFFFAOYSA-N 360.498 3.428 30 50 FGEA C=CCN(Cc1cccc(OC)c1)C(=O)CCc1nc(-c2ccco2)no1 55053001 LSSPNTHHCAMJAT-UHFFFAOYSA-N 367.405 3.486 30 50 FGEA CC[C@H]1CCc2nc(N)c(C#N)c(-c3cc(OC)c(O)c(OC)c3)c2C1 71404181 SICYFXZKHVHICS-NSHDSACASA-N 353.422 3.440 30 50 FGEA CC1(C)C[C@]1(CNC(=O)N1CCCn2nc(C#N)cc2C1)c1ccccc1 426488135 FUGIOVKYEXCKLT-NRFANRHFSA-N 363.465 3.038 30 50 FGEA Cc1ccc(-c2n[nH]cc2/C=N\NS(=O)(=O)c2ccc(Cl)cc2)cc1 12648898 AXTSRVVZBWEISD-JAIQZWGSSA-N 374.853 3.351 30 50 FGEA C=CCn1c(=O)c(C(=O)Nc2cccc(OC)c2)c(O)c2ccccc21 100512620 MSVMJQMDODRGJP-UHFFFAOYSA-N 350.374 3.154 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)o1 55393052 QTEGTARMEMTYSK-QGZVFWFLSA-N 373.474 3.285 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(F)cc1 13552884 LLFPEUDPVVVTBM-QGZVFWFLSA-N 373.380 3.342 30 50 FGEA C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(=O)O 937543 OVQVKCBXQWPAEM-UHFFFAOYSA-N 370.434 3.076 30 50 FGEA C=CCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 754182 HOQAWNYUTPYZBI-UHFFFAOYSA-N 364.430 3.186 30 50 FGEA N#Cc1cncc(Cn2c(=O)sc3cc(F)cc(Br)c32)c1 2325871540 PMBFVUMRAJULLD-UHFFFAOYSA-N 364.199 3.280 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1)c1ccco1 795085 XZODANIRGGLMDT-IAQYHMDHSA-N 359.403 3.098 30 50 FGEA Cc1c(C#N)c(N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)nc2ccccc12 2356145460 CSPOYYQTRGYBHW-QFIPXVFZSA-N 370.460 3.102 30 50 FGEA CCCO[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1Nc1cc(C#N)ccn1 2356152988 LLVHWKTYBSVQOW-IPMKNSEASA-N 370.497 3.342 30 50 FGEA C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccncc1 10231632 VCQANSVJKIDVIP-GJZGRUSLSA-N 371.510 3.123 30 50 FGEA C/C(=N\NS(=O)(=O)c1cc(C)ccc1C)c1cc(Cl)ccc1O 6684161 POAIBAKMFYXKFM-LDADJPATSA-N 352.843 3.365 30 50 FGEA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)c1 284474870 FAOMFMHDYGXWRU-ULQDDVLXSA-N 354.372 3.333 30 50 FGEA CC1(C)OB(c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)OC1(C)C 169972367 VXFROXLOVQLZJN-UHFFFAOYSA-N 352.165 3.249 30 50 FGEA in-vitro N#Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 4934909 BKKYMJVQBAMDCN-UHFFFAOYSA-N 350.403 3.263 30 50 FGEA COc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1OC 1429752 DEBCOJFILVTJBK-AWEZNQCLSA-N 372.465 3.140 30 50 FGEA COc1ccc(/C=C/C(=O)c2c(Br)cnn2C)c(OC)c1 6925456 RYJXWPIZJISPPD-FNORWQNLSA-N 351.200 3.096 30 50 FGEA C=CCC1(O)CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 886762226 UKEHZXFWVUXCDF-GJZGRUSLSA-N 350.890 3.309 30 50 FGEA C#CCN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 1075778 CODKUMQYQDGZET-QHCPKHFHSA-N 361.441 3.361 30 50 FGEA CN1CC[C@@H](N2CCC(/N=C(/O)C3(Cc4ccccc4)CCC3)CC2)C1=O 329187717 QECRMFAUWHXEES-LJQANCHMSA-N 369.509 3.051 30 50 FGEA O/C(=N/C1CCN(c2nccs2)CC1)N1CCOC[C@H]1c1ccccc1 329792628 AJPLRVYRLBLYBT-KRWDZBQOSA-N 372.494 3.099 30 50 FGEA Cc1ccc(/N=C(\S)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C)c1 4574652 BDAHDAHNLSXIPG-UHFFFAOYSA-N 374.554 3.027 30 50 FGEA COc1cccc([C@H](O)C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 163919026 DHMGDXKSAUDNRM-HOTGVXAUSA-N 365.216 3.416 30 50 FGEA O=C(CO/N=C1\CCCc2nonc21)Nc1cccc(Cl)c1Cl 1430016 CKGXRXHWXBGVRX-VCHYOVAHSA-N 355.181 3.072 30 50 FGEA N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1CCC2 4652748 RILGFZUVCUWCTR-GHMZBOCLSA-N 350.827 3.280 30 50 FGEA CCc1onc(C)c1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 285707908 IFRSIDDFMOUCOS-UHFFFAOYSA-N 356.401 3.411 30 50 FGEA C=CCC(C)(C)C(=O)[C@H](CC1(C)OCCO1)S(=O)(=O)c1ccccc1 45071708 QWXDIOHCEZLHCD-INIZCTEOSA-N 366.479 3.153 30 50 FGEA C#CCN1CC[C@@H](N(C)[C@@H](C)c2cc(-c3ccccc3)[nH]n2)CCC1=O 14990904 NKYALKVOKGGXLR-WMZOPIPTSA-N 350.466 3.084 30 50 FGEA CCCCNc1cc(OC)c(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003427 JHMKQWAMFYSGKD-UHFFFAOYSA-N 350.224 3.115 30 50 FGEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cc(F)ccc2Cl)cc1 220188891 URUALPJGZAQLHP-QZTJIDSGSA-N 374.799 3.317 30 50 FGEA O=C(CN1C=C/C(=C2\C=CC=[S+]2)N=C1)c1ccc(Br)cc1 328579930 RWGHGGJZSVXPIM-PEZBUJJGSA-N 360.256 3.156 30 50 FGEA Cc1ccnc(N/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328616640 BXFYEVUKRWCLED-LLVKDONJSA-N 353.348 3.194 30 50 FGEA N#Cc1csc(CNS(=O)(=O)c2ccccc2-c2ccccc2)n1 2325870263 PTJGBPOIANEDEG-UHFFFAOYSA-N 355.444 3.160 30 50 FGEA CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@@H]2c1ccccc1[N+](=O)[O-] 102196513 NMJRZKDDYFGDRA-ABAIWWIYSA-N 355.419 3.392 30 50 FGEA CN1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3ccccc3Cn3cccn3)c12 1565526602 NDHPMHFLHQFWHD-BEFAXECRSA-N 370.460 3.139 30 50 FGEA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)CC1=C(c2ccccc2)CCC1=O 1857679041 VQVYCIWJPTUXFE-AQKFKSFVSA-N 353.462 3.345 30 50 FGEA N#Cc1cc(=NCc2cc(C3CCNCC3)no2)[nH]c2ccc(Cl)cc12 2325754060 HZHCPYBHZWEYIB-UHFFFAOYSA-N 367.840 3.249 30 50 FGEA C#CCCC1(CCC(=O)NC23C[C@H]4C[C@@H](CC(CC(=O)O)(C4)C2)C3)N=N1 2325901173 WVHLAPPWHFXXCY-GKVPXEHWSA-N 357.454 3.272 30 50 FGEA CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 3871838 PGGUOGKHUUUWAF-ROUUACIJSA-N 362.470 3.201 30 50 FGEA aggregator,in-vitro N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 471951387 JQIJXWGPWZVSBB-QGZVFWFLSA-N 360.392 3.220 30 50 FGEA CCCCCCCC[C@H](O)CCC(=O)N1CCC[C@H]1c1nncn1C 253407669 HXVOSMASLGJHTK-IRXDYDNUSA-N 350.507 3.370 30 50 FGEA CC(C)[C@@H]1CN(c2ccc(C#N)cn2)CCC(=O)N1Cc1ccc(F)cc1 71762436 LXPNEPISFMVTBL-IBGZPJMESA-N 366.440 3.356 30 50 FGEA O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 5033990 DINKOSCWJJYMSJ-QGZVFWFLSA-N 371.820 3.301 30 50 FGEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)NCc1ccc(-c2noc(C)n2)cc1 2325806720 CDZZVZGAYZRIFK-VBKZILBWSA-N 357.454 3.405 30 50 FGEA C=CC(=O)N(C)c1ccc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)cc1 2325890030 UOJAHNUBXDPAPV-UHFFFAOYSA-N 359.389 3.144 30 50 FGEA C=CCSc1nnc([C@H]2CCCN(Cc3cc(OC)ccc3O)C2)n1C 20781614 GTOSWIQBDRZIQT-AWEZNQCLSA-N 374.510 3.187 30 50 FGEA CC(C)[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)CCC(=O)N1CC1CC1 71767681 CIIWOPZTOATNPU-SFHVURJKSA-N 354.454 3.059 30 50 FGEA C#CCCC1(CCC(=O)N2C[C@@H](C(=O)O)C[C@@H](c3ccccc3)C2)N=N1 952876768 WHOSNCMWWBHMMB-SJORKVTESA-N 353.422 3.059 30 50 FGEA COc1cc(/C=N/n2c(-c3ccccc3OC)n[nH]c2=S)ccc1O 2236625 RJNCEUGUHMJTTO-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA CC1(C/N=C(/O)N2CCOc3cc(O)ccc3C2)Cc2ccccc2C1 329384626 PLXDMMDROHGFNF-UHFFFAOYSA-N 352.434 3.306 30 50 FGEA N#CCCn1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)n1 3355857 DEKJYZNDNNZKPH-UHFFFAOYSA-N 360.373 3.414 30 50 FGEA CN(C)c1ccc(/C=C2\S/C(=N/C(=O)c3ccccc3)NC2=O)cc1 4981668 IEMNPRTYGSOZQI-VBKFSLOCSA-N 351.431 3.153 30 50 FGEA C=C(C)COc1ccccc1C(=O)N(Cc1ccccn1)[C@@H](CC)CO 55053339 NWTOENBPMXZVLB-SFHVURJKSA-N 354.450 3.450 30 50 FGEA O/C(=N/CCc1ccccc1OC(F)F)N1CCOC[C@H](C2CCC2)C1 330227437 UWTYAVHPESHLAS-MRXNPFEDSA-N 368.424 3.493 30 50 FGEA COc1ccc(-c2ncc(-c3c(C#N)c(N)nc4c3CO[C@H]4C)cn2)cc1 71763773 YELCZNCEGZPOAC-NSHDSACASA-N 359.389 3.259 30 50 FGEA N#Cc1ccc(C(F)(F)F)cc1N1CC[C@H](C2CC2)[C@@H]1c1nc(O)n[nH]1 1875399768 ITEVBECEWSMKPA-TZMCWYRMSA-N 363.343 3.378 30 50 FGEA N#Cc1cnc(N2C[C@@]34CCCC[C@@]3(CN(Cc3ccccc3)C4)C2)cn1 1875347127 ICWXFLWMSSUVQV-SZPZYZBQSA-N 359.477 3.231 30 50 FGEA CN1C(=O)C[C@@H](CNc2cc(C#N)c3ccccc3n2)[C@@H]1c1cccnc1 886031221 LDBRRBQJMMDAPX-KKSFZXQISA-N 357.417 3.133 30 50 FGEA C=CCCN1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 72156188 BWLQRZNITSZBHW-NRFANRHFSA-N 358.482 3.094 30 50 FGEA C=C(C)CNc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 14979503 ZTESXWNRZUAZNZ-GOSISDBHSA-N 353.470 3.351 30 50 FGEA CCCn1cc(C(=O)CSc2ncc(C#N)c(N)n2)c2ccccc21 10007643 BCMFXRLRMOIEKH-UHFFFAOYSA-N 351.435 3.270 30 50 FGEA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329263568 ZVLSUBAGSHJRHX-TVQRCGJNSA-N 369.391 3.403 30 50 FGEA Cc1ccccc1-c1c(C#N)c(N)nc2c1CN(C(=O)c1ccncc1)CC2 72134441 JIBIBFTWXVPEJA-UHFFFAOYSA-N 369.428 3.104 30 50 FGEA COc1ccc(OC)c([C@H]2CCN(C(=O)c3cc(F)cc(C#N)c3)C2)c1 77407754 LVHYDOAFYKTPHM-AWEZNQCLSA-N 354.381 3.344 30 50 FGEA N#Cc1ccc(-c2cnn(CC(=O)Nc3ccnn3-c3ccccc3)c2)cc1 48445012 DNERIDLPFWPVIW-UHFFFAOYSA-N 368.400 3.246 30 50 FGEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N(C)Cc3nnc(C)o3)cc2)n1 426382938 QEVSDPAVYYGPLU-UHFFFAOYSA-N 361.405 3.201 30 50 FGEA COc1cccc([C@H]2CN(c3cc(C#N)ccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95378796 GNVHHXNVDIMKLD-CEMLEFRQSA-N 360.461 3.028 30 50 FGEA Cc1ccc(S(=O)(=O)/N=C(/CSC(N)=O)Nc2ccccc2)cc1 18029449 IDFIFTQBMBQXDN-UHFFFAOYSA-N 363.464 3.006 30 50 FGEA Cc1cc(C(=O)N2CC(=O)N(c3ccc(C#N)cc3)C[C@@H]2C)ccc1Cl 82107595 CRLZZESILBULEM-AWEZNQCLSA-N 367.836 3.398 30 50 FGEA CO/N=C(\C(=O)Sc1nc2ccccc2s1)c1csc(N)n1 2149443 COFDRZLHVALCDU-YVLHZVERSA-N 350.450 3.004 30 50 FGEA in-vitro Cc1c(C#N)c(NCc2cc(O[C@H]3CCNC3)ccn2)nc2ccccc12 818629007 SHCOYMNFZLHOCM-KRWDZBQOSA-N 359.433 3.163 30 50 FGEA CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 1168052 FKTACDDLBKNQJK-SFHVURJKSA-N 366.373 3.122 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 4719735 YZFVYGFZIGZWMB-QGZVFWFLSA-N 356.378 3.126 30 50 FGEA COc1ccc(-c2cc(-c3cccc(OCCO)c3)c(C#N)c(N)n2)cc1 67713243 KDDHPBLFWWYIKB-UHFFFAOYSA-N 361.401 3.249 30 50 FGEA CN(C)N1C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 1422744 FLCWHIOFYHROJC-CQSZACIVSA-N 357.410 3.031 30 50 FGEA COc1cc(CN2CCC[C@H](C#N)C2)ccc1OCc1ccc(C(=O)O)o1 97696404 FSKHMGOEZNBWDE-OAHLLOKOSA-N 370.405 3.301 30 50 FGEA CCN(CC)CCCNC(=O)Nc1sc2c(c1C#N)CC(C)(C)OC2 6662408 KQBOTBSOEKAHSC-UHFFFAOYSA-N 364.515 3.324 30 50 FGEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cc(F)ccc2Cl)cc1 223514312 IYDPBHILDALVLY-QZTJIDSGSA-N 374.799 3.317 30 50 FGEA C=CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 4802195 VKTLTMMZTQGEEL-JUACWREWSA-N 358.463 3.331 30 50 FGEA C=CCNc1ccccc1C(=O)NC[C@H](c1cccnc1)N1CCCC1 55131981 UNSRVFAYUKCTGC-HXUWFJFHSA-N 350.466 3.246 30 50 FGEA CC1(C)[C@H](C(F)(F)F)CCN1/C(O)=N/C1CCN(c2cccnn2)CC1 330280065 RYSRLTVOWPJQCA-CYBMUJFWSA-N 371.407 3.022 30 50 FGEA CCc1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)c(C#N)c1CC 185484730 KNKHFCICBKHFPF-AWEZNQCLSA-N 355.511 3.418 30 50 FGEA N=c1[nH]c(C2CCCC2)ncc1/C(O)=N/[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 329540239 MZNUZBPSIGEUEJ-NUEKZKHPSA-N 356.470 3.199 30 50 FGEA CCOc1cccc(C=Nn2c(S)nnc2-c2ccc(OC)cc2)c1O 239248042 XXJZQKJFWSZHDZ-UHFFFAOYSA-N 370.434 3.229 30 50 FGEA C[C@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@H]2C1=CC[C@H]2C[C@H]1C2(C)C 245324833 AFQQUICKZPLXEB-SCAGBLASSA-N 350.422 3.281 30 50 FGEA CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 19770292 NTTFICPNEOWMMI-SFHVURJKSA-N 372.490 3.346 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)N=N1 2325886117 SCTHOHKFMXKHGB-MRXNPFEDSA-N 362.437 3.491 30 50 FGEA COC(=O)c1cc(/C(O)=N/[C@H](C)c2nc(-c3cccnc3)cs2)c[nH]1 328590465 YPGLNNMQIPXHCV-SNVBAGLBSA-N 356.407 3.386 30 50 FGEA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1(C#N)CCCCC1)CC2 275489337 AKOMDAIWFZKHFP-MRXNPFEDSA-N 372.538 3.430 30 50 FGEA C=CCCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 15074326 JEISCNBQBXVFLN-IBGZPJMESA-N 361.917 3.419 30 50 FGEA COCc1cc(C)nc(SCC(=O)Nc2cc(C)ccc2O)c1C#N 4418058 ZDBVGBYPAIRPBK-UHFFFAOYSA-N 357.435 3.153 30 50 FGEA Cc1c(C#N)cccc1NC(=O)NCc1nc(-c2cccc(F)c2)no1 365851705 FYUNRDWWOXJSNS-UHFFFAOYSA-N 351.341 3.378 30 50 FGEA CCOc1ccc(NC(=O)N2CCN[C@H](c3ccccc3)C2)cc1C#N 96153980 JYIHTFCWJPOBDT-SFHVURJKSA-N 350.422 3.135 30 50 FGEA C=CCOc1cccc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1 91943802 PEKVUOPVXPYOBQ-QFIPXVFZSA-N 354.494 3.476 30 50 FGEA N#Cc1cc(NCC2CCN(Cc3ccccc3)CC2)cc(N)c1[N+](=O)[O-] 225818417 JJAVXGVSLXVFIB-UHFFFAOYSA-N 365.437 3.373 30 50 FGEA Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)o1 19216326 FOGUQZQLBQZDJE-MRXNPFEDSA-N 374.462 3.180 30 50 FGEA C[C@@H]1CN(Cc2ccccc2C/N=C(/O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1 329487666 GSGNAPOGIBSIEB-UYUBTLJZSA-N 358.482 3.320 30 50 FGEA Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)C[n+]1cccc(Br)c1 2979046 DMRIHGMQONYIJD-UHFFFAOYSA-N 364.219 3.453 30 50 FGEA COC(=O)c1n[nH]cc1-c1cc(-c2ccccc2Cl)nc(N)c1C#N 67713296 YERQYTYVQIXMMC-UHFFFAOYSA-N 353.769 3.033 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)N=N1 952880259 DOVPVSCQJOVKKN-MRXNPFEDSA-N 354.454 3.056 30 50 FGEA Cc1cncc(N/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328640569 XMJGOESCGPKZAL-NSHDSACASA-N 353.348 3.194 30 50 FGEA O=C(OCc1ccccc1)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccccc1 12647747 DBVXAJXABKWSBR-ROUUACIJSA-N 371.458 3.439 30 50 FGEA in-vitro COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl 632598 HMMRCLFTVFPXLF-CQSZACIVSA-N 361.825 3.440 30 50 FGEA CCOc1cccc(-c2nnc(S)n2/N=C/c2ccc(C(=O)O)cc2)c1 6539341 YPGSXPGEQQGGAD-YBFXNURJSA-N 368.418 3.213 30 50 FGEA Cc1ccc(S(=O)(=O)/N=C2\C=C(Cl)C(=O)C(Br)=C2)cc1 100323814 VCVLDSKDWWFUQJ-SXGWCWSVSA-N 374.643 3.109 30 50 FGEA CCOc1ccc(NC(=O)N2CCN[C@@H](c3ccccc3)C2)cc1C#N 96153981 JYIHTFCWJPOBDT-GOSISDBHSA-N 350.422 3.135 30 50 FGEA N#Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)cc1 91534996 AMVMBPWWBQKTHO-UHFFFAOYSA-N 371.444 3.218 30 50 FGEA C=CCN1CCN(C(=O)c2cccc(-c3nn(C)c4cccc(C)c34)c2)CC1 534666133 KMFYHJLDBIVOKB-UHFFFAOYSA-N 374.488 3.493 30 50 FGEA C=C(C)[C@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 187772924 QCSRALQZUJMPRS-SGTLLEGYSA-N 373.403 3.298 30 50 FGEA C=CCC(O)(CC=C)CNC(=O)[C@H]1CC(Cc2ccccc2Cl)=NO1 11973926 TUDJWYMCSOURNM-QGZVFWFLSA-N 362.857 3.027 30 50 FGEA CC1(C)OB(c2cccc(NC(=O)NCc3ccc(F)cc3)c2)OC1(C)C 169745887 SKDLBGDZJJBFSX-UHFFFAOYSA-N 370.233 3.447 30 50 FGEA CN1CCCC12CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 334023712 FQZQZBPHGFQQIQ-UHFFFAOYSA-N 360.889 3.100 30 50 FGEA C=C(C)[C@H](O)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c1O 14762532 IIWLGOCXDBSFCM-RCMYXZNBSA-N 370.401 3.188 30 50 FGEA endogenous,in-man N#Cc1ccc(-c2n[nH]cc2CN2CC(c3nc4ccccc4[nH]3)C2)cc1 2325859099 OBBLTPMXIYVLCR-UHFFFAOYSA-N 354.417 3.424 30 50 FGEA C#CCCC1(CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)N=N1 2325901191 XQGUILLKABEQQM-UHFFFAOYSA-N 353.451 3.012 30 50 FGEA Cc1c(/C(O)=N/C[C@@H]2CCC3(CCOCC3)[C@H]2O)cnn1CCC(C)C 328682128 CXKKJKPRPDZFPW-WMZOPIPTSA-N 363.502 3.110 30 50 FGEA COc1cc([C@H](C#N)NC(=O)[C@H](C)c2ccsc2)cc(OC)c1OC 157983193 CRQGOQZUHJCBEU-RISCZKNCSA-N 360.435 3.258 30 50 FGEA C=CCCCCN1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77391431 CDAPYCUVWAWGLJ-OAQYLSRUSA-N 356.514 3.346 30 50 FGEA CCn1cc(CN2CCN(c3ccc(OC)cc3)C(C)(C)C2)cc1C#N 72168899 RNVGKCOMTCOKHB-UHFFFAOYSA-N 352.482 3.489 30 50 FGEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C@H]1CC[C@H]2C(=O)C1N=N1 257348751 INKNBLYOCYSZNF-NDJIEACQSA-N 356.466 3.468 30 50 FGEA C=CCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(OC)c3OC)C2)C1 12597103 YVHOZIWCSZLHAH-QFIPXVFZSA-N 372.509 3.485 30 50 FGEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCCC(C)C)C2 14748295 DONSMICPCMOCNG-KRWDZBQOSA-N 358.530 3.188 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1OC 19731698 VWAGPYNNBWXXGR-IBGZPJMESA-N 371.433 3.235 30 50 FGEA CCN1CCC[C@@H](CN(C)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cnn(C)c1 328630910 JVWZBRVDUOTKIF-LAUBAEHRSA-N 369.488 3.336 30 50 FGEA O/C(=N/CCc1ccc(Cl)s1)N[C@@H]1CCOC2(CCOCC2)C1 330256941 LAWVAFHYCLKKLI-GFCCVEGCSA-N 358.891 3.176 30 50 FGEA COc1cc(-c2nc(COc3cccnc3C#N)c(C)o2)cc2c1OCO2 67741614 PZFQZDWWNMFQQP-UHFFFAOYSA-N 365.345 3.233 30 50 FGEA C=C[C@@H]1CCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)C1 299763370 ZZASTJKJQYOXGD-MRXNPFEDSA-N 361.507 3.327 30 50 FGEA CS(=O)(=O)c1cccc(Oc2ccc(Nc3nccnc3C#N)cc2)c1 301383853 UJGAIMQWJHRQNV-UHFFFAOYSA-N 366.402 3.288 30 50 FGEA Cc1cc2ncn(C(=O)OC(C)(C)C)c2cc1B1OC(C)(C)C(C)(C)O1 169809851 DFUOVOKCFLCEIG-UHFFFAOYSA-N 358.247 3.427 30 50 FGEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 4094468 BSAUXCNDXHVMOP-VLIAUNLRSA-N 371.433 3.278 30 50 FGEA N#Cc1c(-c2cnc(N3CCOCC3)s2)cc(-c2ccccc2)nc1N 67805802 SVDSVURJAAYWGN-UHFFFAOYSA-N 363.446 3.163 30 50 FGEA Cc1ccc(CN2CCN(N=Cc3ccccc3C(=O)O)CC2)c(C)c1 244692003 JMSXDKAHNROUJY-UHFFFAOYSA-N 351.450 3.153 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](OCc3ccccn3)C2)s1 1506398155 LYDDQHCXZLNDHW-GOSISDBHSA-N 370.518 3.447 30 50 FGEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 2325807031 VOFGGOKTVTWCAE-PGRDOPGGSA-N 372.509 3.023 30 50 FGEA C=CCN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 9935645 QQZASHXTRIIWKW-QHCPKHFHSA-N 371.440 3.349 30 50 FGEA biogenic COc1ccc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1C#N 328637514 ORCMMNNIMUUXQL-RXVVDRJESA-N 350.466 3.087 30 50 FGEA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3cccc(C#N)c3)C2)CCC1=O 77423471 QCIHWZCZRCCKGG-JOCHJYFZSA-N 367.493 3.449 30 50 FGEA N#CC1(CCCN2CCN(c3ccnc4ccccc34)CC2)CCOCC1 297622007 LKHMXKPVXRXCAG-UHFFFAOYSA-N 364.493 3.457 30 50 FGEA CN1CCC(Oc2ccc(NC(=O)c3cc(F)cc(C#N)c3)cc2)CC1 826768263 XGEQWBTYSMBVEG-UHFFFAOYSA-N 353.397 3.423 30 50 FGEA N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)COc1ccccc1 5092531 OUGPPSOBJHIQAD-UHFFFAOYSA-N 353.205 3.430 30 50 FGEA C=CCCC(=O)NCc1cccnc1N1CCN(c2ccccc2C)CC1 11937894 DMUJDAVLTZSDEV-UHFFFAOYSA-N 364.493 3.299 30 50 FGEA C=CCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12576060 MOEGDIHLXCKGEM-HXUWFJFHSA-N 362.420 3.272 30 50 FGEA COc1cccc(N2C[C@@H](/N=C(\O)c3cc(Cl)ccc3OC)CC2=O)c1 4497100 XKUXNLWATVZLPN-ZDUSSCGKSA-N 374.824 3.467 30 50 FGEA Cc1ccc(S(=O)(=O)O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 35287598 SKOKKOPKFKENHX-CQSZACIVSA-N 355.456 3.100 30 50 FGEA in-vitro C#CCCC1(CCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)N=N1 2325892012 XUXRUPVUOKOYHB-MRXNPFEDSA-N 354.410 3.098 30 50 FGEA CCOC(=O)C1=C(Cc2ccc(N(C)C)cc2)C(=O)c2ccccc2C1=O 4992146 COYXZMDXKCYIMI-UHFFFAOYSA-N 363.413 3.234 30 50 FGEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 5703186 YSJRFNOIWZPNPJ-LICLKQGHSA-N 355.379 3.407 30 50 FGEA N#Cc1c(NC(=O)CCCn2cc([N+](=O)[O-])cn2)sc2c1CCCC2 1423522 AMSFLFNESHNZLM-UHFFFAOYSA-N 359.411 3.022 30 50 FGEA N#Cc1ccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 67742194 LGTVJADYVDOWCD-LEWJYISDSA-N 357.413 3.097 30 50 FGEA Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 369654145 KRIVYMJLGQDJBT-MRXNPFEDSA-N 365.437 3.013 30 50 FGEA C[C@H]1CCOCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 374984464 FZXQRJKGBHDLJF-INIZCTEOSA-N 350.418 3.388 30 50 FGEA N#Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)cc1 72474764 HPPXPBAHCNKAOM-UHFFFAOYSA-N 373.456 3.213 30 50 FGEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1Cc1ccc2ncccc2c1 82170821 KLVVBGGBKSGIQL-INIZCTEOSA-N 356.429 3.344 30 50 FGEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1565525678 WFRXPGKXLQZCLS-ROUUACIJSA-N 374.799 3.317 30 50 FGEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 15071488 DVKCYAKCHLLPGY-FQEVSTJZSA-N 362.420 3.272 30 50 FGEA Clc1cc2c(cc1/C=N/Nc1nnc3c(n1)[nH]c1ccccc13)OCO2 4737966 IKPNOJSBSNXUCC-FBCYGCLPSA-N 366.768 3.334 30 50 FGEA Cn1ccnc1N1CCC(/N=C(/O)[C@H]2CCCN2c2ccccc2)CC1 328714498 DDQMKWXUFJUQHO-GOSISDBHSA-N 353.470 3.014 30 50 FGEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1Cn1cncn1 67713679 GZWFTJHIVZHWGZ-UHFFFAOYSA-N 374.448 3.120 30 50 FGEA CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 4391403 NZFUXJQNUMCFMF-HXUWFJFHSA-N 360.417 3.083 30 50 FGEA N#CC1(C(=O)NCc2ccc(I)c(Cl)c2)CCC1 332461003 JBJKUIXSKINFFC-UHFFFAOYSA-N 374.609 3.255 30 50 FGEA Cc1ccc(C#N)c(N[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1 72120767 LBVPIABVWGYYOV-KRWDZBQOSA-N 354.841 3.171 30 50 FGEA Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1cnc(NC(C)C)nc1 71777087 UEOMENJXBVAGQA-UHFFFAOYSA-N 360.421 3.494 30 50 FGEA CN(Cc1cn(-c2cccc(Br)c2)nn1)[C@@H]1CC[C@H](C#N)C1 294233353 SXLRXOZYIWTWOP-SWLSCSKDSA-N 360.259 3.154 30 50 FGEA COc1cc(/C=N/N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)ccc1O 705069 JICGRRAMYWKRGU-FOKLQQMPSA-N 372.380 3.283 30 50 FGEA CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(CCCC)C(C)=C1C(C)=O 2871639 JPSNQTRBPCWDPS-INIZCTEOSA-N 362.392 3.099 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)N=N1 2325886108 QEWCRUPGHDGHPC-MRXNPFEDSA-N 353.422 3.477 30 50 FGEA C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 2870430 OPLVFIAMXPLHEB-UHFFFAOYSA-N 358.463 3.328 30 50 FGEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 100245272 WZBAEDGOHDNMGV-JXFKEZNVSA-N 367.445 3.377 30 50 FGEA biogenic N#Cc1ccc(-c2cccc(C(=O)N3CCC[C@@H](C(N)=O)C3)c2)cc1Cl 426547577 GTOTYLXTWFCDOS-QGZVFWFLSA-N 367.836 3.216 30 50 FGEA O=S(=O)(N/N=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 32575567 RTPHVWZUELNCJK-ODLFYWEKSA-N 360.826 3.043 30 50 FGEA COc1cc2c(cc1OC)C1(CCN(c3cc(C#N)ccn3)CC1)OCC2 1704313101 FIQNGNRETWRRPD-UHFFFAOYSA-N 365.433 3.039 30 50 FGEA COc1ccccc1N1CCN(/N=C/C=C/c2ccccc2[N+](=O)[O-])CC1 2215327 HYPBSHMDVBZDKD-QCDJPJHBSA-N 366.421 3.425 30 50 FGEA O=C(O)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 19771576 OJINCFKHXHQHCZ-SFHVURJKSA-N 365.385 3.130 30 50 FGEA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1 100800021 IOFDLDJFFLMOPD-UNGJYSPYSA-N 372.424 3.407 30 50 FGEA CC(=O)/C=C/c1c(OC(F)(F)F)cccc1B1OC(C)(C)C(C)(C)O1 170007788 XYPXWARZUNLUKN-MDZDMXLPSA-N 356.149 3.487 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1ccccc1 5484004 AZLFHVRRYXDANO-IEBWSBKVSA-N 363.413 3.444 30 50 FGEA COc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c(OC)c1 9316933 CEFUSYNKHULAEA-VXLYETTFSA-N 358.398 3.272 30 50 FGEA C#CCN(Cc1ccc(OC)cc1)C(=O)CC(=O)Nc1ccc(C)cc1C 67771126 UIKMPAHROCWJRL-UHFFFAOYSA-N 364.445 3.303 30 50 FGEA COc1ccc2c(c1)C1(CC1)CN(/C(O)=N/C[C@@H]1CCCn3ccnc31)C2 329540118 CTZZZGNYSDWSOW-HNNXBMFYSA-N 366.465 3.231 30 50 FGEA C#C[C@@H](CC)Oc1ccc(COC(=O)[C@@H](C)N(C)CC(F)(F)F)cc1 225855345 IZWWSESLZMMQDK-HIFRSBDPSA-N 357.372 3.403 30 50 FGEA CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 18083861 GJDVVWAKKGHRTG-HXUWFJFHSA-N 374.444 3.392 30 50 FGEA C#CCCC1(CCC(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)N=N1 2325900060 JOOQFNVLMLAFQL-CQSZACIVSA-N 350.426 3.109 30 50 FGEA N#Cc1cccc(CN2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)c1 72421243 FSZYFCIKVJDEJB-UHFFFAOYSA-N 354.381 3.196 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 19138234 KFBHQEMFLDAJRB-INIZCTEOSA-N 352.346 3.111 30 50 FGEA CCOc1ccc(C[C@H]2S/C(=N\N=C\c3cccs3)NC2=O)cc1 5565150 MSFBUAORZRLHQN-CLXYIWAZSA-N 359.476 3.311 30 50 FGEA COc1cc(/C=C(\C)C(=O)c2c(C)cc(C)[nH]c2=O)cc(OC)c1OC 5387209 RHEGROJWVDOOIV-XYOKQWHBSA-N 357.406 3.304 30 50 FGEA C#CCCC1(CCNC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)N=N1 2325893552 DSDOUHXHBFNLIM-GOSISDBHSA-N 366.465 3.245 30 50 FGEA Cc1ccc(C#N)cc1N1C(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)N=C1O 328595471 WACBXFWIQNHTNL-KRWDZBQOSA-N 362.364 3.359 30 50 FGEA COc1ccccc1O[C@H](C)C/N=C(/O)N1CCOC[C@@H](C2CCC2)C1 330177372 CYEWWAZSCYMNHZ-WBVHZDCISA-N 362.470 3.125 30 50 FGEA N#Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(C(F)F)cc1C(F)F 13960119 ZIUSQRDZDNAQAC-UHFFFAOYSA-N 371.250 3.177 30 50 FGEA C#CCCC1(CCNC(=O)c2cnn(-c3ccccc3OC)c2CC)N=N1 2325890950 GTLHFSGKIOHDCH-UHFFFAOYSA-N 365.437 3.139 30 50 FGEA CCOc1ccc(NC(=O)NCCCN2Cc3ccccc3C2)cc1C#N 96162552 JDCQGKQUXUWVKB-UHFFFAOYSA-N 364.449 3.484 30 50 FGEA C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3cnn(CC)c3)cc2)C[C@H]1C 534575279 USBKJKZFGFAOMU-IAGOWNOFSA-N 352.482 3.291 30 50 FGEA C#CCOc1cc(C(=O)Nc2cc(C)nn2[C@@H](C)C2CC2)ccc1OC 1506424968 NYJMOXUAOUIEOS-AWEZNQCLSA-N 353.422 3.435 30 50 FGEA CN(C)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 8844118 MTOUCXDDYPQBCJ-UHFFFAOYSA-N 350.447 3.079 30 50 FGEA COC(=O)[C@@H]1CCC(B2OC(C)(C)C(C)(C)O2)=CN1C(=O)OC(C)(C)C 1857780678 CKHOMPJCXITAFK-ZDUSSCGKSA-N 367.251 3.074 30 50 FGEA C[C@H](NC(=O)c1cc(C#N)c(N)cc1O)c1ccc(OCC2CC2)c(F)c1 225808986 ZSQUEAHBODGNCG-NSHDSACASA-N 369.396 3.265 30 50 FGEA COC(=O)CCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)CC1=O 1075624 SRNMTKWBDJHRBZ-UHFFFAOYSA-N 359.422 3.273 30 50 FGEA Cc1ccc(S(=O)(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 170162355 RLVWYHYMSBRBKK-UHFFFAOYSA-N 373.283 3.095 30 50 FGEA C=CCn1cc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)c(C)n1 20255324 WTIXBAKNOFSIGX-NRFANRHFSA-N 350.510 3.099 30 50 FGEA Cc1ccncc1N=C(O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328638351 WHLXKHHRZKJVQU-GFCCVEGCSA-N 367.375 3.345 30 50 FGEA COc1ccc([C@@H](C)/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)cc1 328649332 UZCZTZIDCIFKRR-NVPAJSRCSA-N 360.454 3.083 30 50 FGEA O=C(O)/C=C\C(=O)Nc1ccccc1C#Cc1ccc(Br)cc1 32121713 CMZACEALZURUGE-QXMHVHEDSA-N 370.202 3.428 30 50 FGEA biogenic CCCc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccccc2)cc1 13322221 KYHIMSUVDPRHRR-STZFKDTASA-N 368.462 3.342 30 50 FGEA COc1ccc(OC[C@@H]2CCCN(C(=O)c3ccccc3C#N)C2)cc1 77375061 RHKFJSOYUNQROI-MRXNPFEDSA-N 350.418 3.498 30 50 FGEA Cc1c(C#N)cccc1NC(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 369654144 KRIVYMJLGQDJBT-INIZCTEOSA-N 365.437 3.013 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1cccnc1)O2 239309623 HTIUHCFSDHKOSC-MHYXUVESSA-N 369.384 3.204 30 50 FGEA N#CC1(C(=O)NCc2ccc(Cl)cc2I)CCC1 279124397 WCEOOSOFVCKZKN-UHFFFAOYSA-N 374.609 3.255 30 50 FGEA CS/C(N)=N/S(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2 6232634 HQHUGFRYEKXPQL-UHFFFAOYSA-N 356.513 3.082 30 50 FGEA C#CCCC1(CCN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)N=N1 2325891719 XYLXFQDMFRVRPT-MRXNPFEDSA-N 362.792 3.212 30 50 FGEA Cc1ccccc1C[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)NC1=O 4828074 XJSBKUHFHZBTAU-ZVCOJXFSSA-N 368.418 3.067 30 50 FGEA C=CCOC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C)cc1 4919348 LAWRDPZORBDSFD-AQTBWJFISA-N 366.373 3.403 30 50 FGEA N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 331136819 CZWFUSYLDQPNMF-GJZGRUSLSA-N 360.401 3.346 30 50 FGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cccn1-c1cccnc1 71416289 XCZNMEZEENHHPC-UHFFFAOYSA-N 355.405 3.097 30 50 FGEA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 276010989 QDCSDQPZRBFOQM-IBGZPJMESA-N 354.498 3.369 30 50 FGEA CCOc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1OC 19879250 ZLPRPDCRHJCDLI-CJLVFECKSA-N 353.466 3.246 30 50 FGEA C[C@@H]1CC[C@H](C(=O)N2CCOc3c(N=C(O)[C@H]4CC[C@@H](C)O4)cccc32)O1 328910968 NUMZOHZJZYFTNE-BQGCOEIASA-N 374.437 3.135 30 50 FGEA O=C1Oc2ccccc2C(=O)/C1=C/Nc1ccc2c(c1)CN1CCCC1=N2 828327161 DABVUYSVTBTMHP-WJDWOHSUSA-N 359.385 3.424 30 50 FGEA biogenic C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886096847 QIUZHDGARRRIQX-IERDGZPVSA-N 350.466 3.229 30 50 FGEA O=C(C#Cc1ccccc1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 276993715 SUCUUAFEFJMAOB-SFHVURJKSA-N 365.433 3.069 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 634336 OJGFAIPQJFJDKP-INIZCTEOSA-N 371.433 3.186 30 50 FGEA Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 19209027 QWLYNZCBXXECSA-KRWDZBQOSA-N 370.474 3.196 30 50 FGEA COc1ccc(N(CCC#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2022911 HSXYIAPSXXYDHR-UHFFFAOYSA-N 350.827 3.458 30 50 FGEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(OC)c(OC)c2)cc1 239038752 DVVZYVKFFQFGHO-UHFFFAOYSA-N 370.434 3.142 30 50 FGEA CCn1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C2CCCC2)cn1 71765144 VRYFOMPJEWVKMW-MAUKXSAKSA-N 362.481 3.423 30 50 FGEA C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O 1131682 BBZAWPZMNHEPLP-MTOJCTJASA-N 358.463 3.442 30 50 FGEA COc1ccc(C(=O)N2CCC[C@]2(C#N)c2ccccc2)cc1[N+](=O)[O-] 1217400 IZZOVCHJKUUPBY-IBGZPJMESA-N 351.362 3.258 30 50 FGEA CCOc1cccc(/C=N/n2c(S)nnc2COc2ccccc2)c1O 1475884 JVSGAGZJGIURBX-YBFXNURJSA-N 370.434 3.132 30 50 FGEA C=C(Br)CN(C)CCNC(=O)c1ccc2sccc2c1 2325868040 MSXHCAFRXTZLDN-UHFFFAOYSA-N 353.285 3.472 30 50 FGEA CN(C)C(=Nc1cccc2cccc(N=C(N(C)C)N(C)C)c12)N(C)C 100374712 PSHHYQWGIGYWHP-UHFFFAOYSA-N 354.502 3.061 30 50 FGEA CC[C@H](C)[C@H](/N=C(/O)N1CCNC(=O)[C@@H]1c1ccccc1)C(F)(F)F 331325475 NXOIOPDNRGGILF-UBHSHLNASA-N 357.376 3.051 30 50 FGEA N#Cc1ccc(O[C@H]2CCN(C(=O)C/C=C/c3ccccc3F)C2)nc1 366388898 SYNLIPUJYDOHBG-RCFWFJCLSA-N 351.381 3.176 30 50 FGEA C=CCn1nc(C(=O)OCC)c2c1CCN(Cc1c[nH]c3ccccc13)C2 14732264 FDHCGSSLLLNGFZ-UHFFFAOYSA-N 364.449 3.285 30 50 FGEA CC(C)(C)OC(=O)Nc1cnc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 169969084 DCHNZMSXFZTTID-UHFFFAOYSA-N 354.643 3.381 30 50 FGEA Cc1nc(CC2CC2)oc1C(=O)O[C@H](C)C(=O)Nc1sccc1C#N 1875261903 NRVRWOCHDOKUEQ-SNVBAGLBSA-N 359.407 3.053 30 50 FGEA Sc1nnc(-c2cccnc2)n1/N=C/c1ccc(Br)s1 1301642 NFFANRPUQGNVSX-VIZOYTHASA-N 366.269 3.335 30 50 FGEA C#CCCC1(CCNC(=O)C2(c3ccccc3)CCN(CC)CC2)N=N1 2325891672 UZYUANNCQOGBTF-UHFFFAOYSA-N 352.482 3.122 30 50 FGEA Cc1ccccc1N1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)[C@H](C)C1 65374990 GVKSAMDLCDZNHV-QGZVFWFLSA-N 366.461 3.061 30 50 FGEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCN(c3ccccc3)CC2)c1 215673303 HCQQWEBJHIYWHM-UHFFFAOYSA-N 362.473 3.162 30 50 FGEA C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1)C(C)(C)C 5102298 MMGBCGKFSTTZKW-OMBDHMDGSA-N 360.483 3.333 30 50 FGEA CCc1nnc(S)n1/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 5909104 RVXKHBCOORWPPA-RQZCQDPDSA-N 357.395 3.488 30 50 FGEA Cc1cc(C)c(CO)c(C)c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4955875 NGQGHNIWJCCCMI-QGMBQPNBSA-N 358.354 3.367 30 50 FGEA N#Cc1cc2c(=O)n(CC3(N4CCCCC4)CCCCC3)ccc2nc1O 67725529 DKQWFSQUHLXVGI-UHFFFAOYSA-N 366.465 3.163 30 50 FGEA CC/C(O)=N/[C@@H]1CCCN(C(=O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)C1 328605002 LWHPRIKRNQAODZ-AKCHCHLHSA-N 360.429 3.223 30 50 FGEA Cc1cc([C@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)ccc1F 125465353 UAQAUFDATCZBKW-LJQANCHMSA-N 353.397 3.289 30 50 FGEA C=CCN1C(=O)/C(=C2\SC(N3CCC(C)CC3)=NC2=O)c2ccccc21 5915893 ZHENUPKDWSJXSH-MSUUIHNZSA-N 367.474 3.292 30 50 FGEA C=C(Cl)Cn1c(=O)c(CNCCCn2ccnc2)cc2ccc(F)cc21 12242441 JQFQVMNMGYYARC-UHFFFAOYSA-N 374.847 3.270 30 50 FGEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(O)=Nc1ccccn1 328626938 MFOWZLZYVZGPPS-LLVKDONJSA-N 353.348 3.037 30 50 FGEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(O)=Nc1cccnc1 328616425 BQQLGSYHAUJWMO-NSHDSACASA-N 353.348 3.037 30 50 FGEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 19831382 CBIHDZNPQKMWLK-LJQANCHMSA-N 364.445 3.217 30 50 FGEA O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@H]1n1nnc([N+](=O)[O-])n1 1079207 RRNWTPYCEVWZSQ-CZUORRHYSA-N 367.390 3.024 30 50 FGEA aggregator COc1cccc(C(=O)/C=C(\O)C(=O)Nc2sc3c(c2C#N)CCC3)c1 334162584 AZEGNAHGAFUVJY-SXGWCWSVSA-N 368.414 3.380 30 50 FGEA N#Cc1cnn2c(O)cc(CN(Cc3cccc(F)c3)C3CCC3)nc12 1473814042 WZXIVUZKWLAREF-UHFFFAOYSA-N 351.385 3.000 30 50 FGEA C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccco1 2522880 GBSCZQGPRWSGJQ-UHFFFAOYSA-N 370.434 3.464 30 50 FGEA N/C(=N\OC(=O)CSc1ccccc1)c1ccc(Br)cc1 4986057 WAOGGCMGRGQHJD-UHFFFAOYSA-N 365.252 3.405 30 50 FGEA CCCCN(CC#C[C@H](C)C(C(=O)OCC)C(=O)OCC)CCCC 4524832 BHMFSEHYDQOSRD-KRWDZBQOSA-N 353.503 3.271 30 50 FGEA C=CCOC(=O)N1CCC[C@@H](NC(=O)Nc2cc3[nH]ccc3cc2C)C1 2325781643 RYSVVNVTBBHVKJ-OAHLLOKOSA-N 356.426 3.385 30 50 FGEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(C(=O)O)cc1 6007489 IHRSESNETUPDHB-VCHYOVAHSA-N 354.391 3.197 30 50 FGEA C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC 100692676 JPIRLTRDMBNZAV-UHFFFAOYSA-N 364.515 3.452 30 50 FGEA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(C#CC(C)(C)O)c1 65398602 OGUDYVIKIPLEMZ-UHFFFAOYSA-N 353.466 3.102 30 50 FGEA N#C[C@@H]1CN(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)C[C@H]1c1ccccc1 329499847 VQNCVFUUPDEQAY-NEMWNAMBSA-N 364.367 3.108 30 50 FGEA OCC[C@@H](/N=C(/O)c1cccc(Br)c1F)C1CCOCC1 331202395 XJUZNTNAUVEBAU-CYBMUJFWSA-N 360.223 3.070 30 50 FGEA COCCCN(Cc1cccc(OC)c1)C(=O)c1cc(F)cc(C#N)c1 952970677 SMLXAQQPZGSSIV-UHFFFAOYSA-N 356.397 3.385 30 50 FGEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1sccc1C#N 328625784 LAZZNNWNMWHFRL-SNVBAGLBSA-N 368.384 3.170 30 50 FGEA COc1cc2c(cc1-c1cc(-c3cccc(O)c3)nc(N)c1C#N)OCO2 67654157 ZQXRCCBANMKULP-UHFFFAOYSA-N 361.357 3.312 30 50 FGEA COCc1cc(C)nc(SCC(=O)N(C)Cc2ccccc2)c1C#N 1429282 AAMOQZNQNIYGSE-UHFFFAOYSA-N 355.463 3.159 30 50 FGEA CC(C)(C)c1ccc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 4551634 JTYLOPHKWWDYKV-UHFFFAOYSA-N 371.393 3.135 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H]2CCN(Cc3scnc3C)C[C@H]2C)N=N1 2325900037 ITSRWJBOEFYIPV-GDBMZVCRSA-N 373.526 3.134 30 50 FGEA C=CCOc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1 4842263 ZNGJTTWIFNTRRB-UHFFFAOYSA-N 371.389 3.308 30 50 FGEA CN(C)CCOc1cccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)c1 67696017 GOYOJVORQIMZSF-UHFFFAOYSA-N 361.449 3.148 30 50 FGEA CC(=O)Nc1ccc(/C=N\CC/N=C/c2ccc(NC(C)=O)cc2)cc1 18191512 WXSYKXUJWRCMHQ-VOKWCDJLSA-N 350.422 3.141 30 50 FGEA CCCn1ncc(/C(O)=N/[C@H]2CCCN(c3ccc(C)nn3)C2)c1C1CC1 328969673 OHKNYIONTDTKPF-INIZCTEOSA-N 368.485 3.243 30 50 FGEA CC(=O)O[C@@](C)(/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C 22015783 XSCIENSMFWVTIV-VGVSSDJJSA-N 352.347 3.269 30 50 FGEA C[C@@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)N1CCOCC1 170623767 AESBZAXYQPMYMX-HNNXBMFYSA-N 362.433 3.499 30 50 FGEA CC(C)(C)OC(=O)/N=C(\NCCCCCC(=O)O)NC(=O)OC(C)(C)C 149853764 SJUBEIUCRUAHTK-UHFFFAOYSA-N 373.450 3.037 30 50 FGEA CCN1CCC[C@@H](CN(C)C(O)=Nc2ccsc2)[C@@H]1c1cnn(C)c1 328614885 ANNDGXFUNBZJQQ-WMLDXEAASA-N 361.515 3.432 30 50 FGEA O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc21 19868584 GDIYAJQFJXLQFN-UHFFFAOYSA-N 366.848 3.334 30 50 FGEA COc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1OC 100210362 UIGGERIILNMFDJ-CQSZACIVSA-N 364.353 3.068 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCCC[C@H]2CCn2cccn2)cc1 820608332 XEDIWLINMTUKRV-NRFANRHFSA-N 351.494 3.450 30 50 FGEA COc1ccccc1N1CCN(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1215242 PDICYFOXVGFINZ-DEDYPNTBSA-N 374.828 3.413 30 50 FGEA C#CCN1C(=O)[C@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 1151295 ITIGNQIWFUOALW-QHCPKHFHSA-N 355.393 3.280 30 50 FGEA CN(C)C(=O)c1ccc([C@@H]2CCCN2Cc2cc(C#CCO)cs2)s1 20865066 NTFIEHIVILULKV-INIZCTEOSA-N 374.531 3.192 30 50 FGEA COc1nccc(N2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c1C#N 71738886 NCXFARFDWYZVKA-LBPRGKRZSA-N 357.360 3.339 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1 5071717 HHYNQVRCXHJLNA-UHFFFAOYSA-N 370.434 3.464 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 628837 KZTTVJBAIMBZLD-SFHVURJKSA-N 369.417 3.192 30 50 FGEA C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 778521 UQVZMHLNYYUYDA-UHFFFAOYSA-N 369.425 3.396 30 50 FGEA CC(O)=Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cn3cc(C)nc3s2)C1 329536446 LVQWYIFYMJCYAD-LBPRGKRZSA-N 372.454 3.055 30 50 FGEA N#Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)nc1 72454324 HZIMMTLBMQLOBE-JOCHJYFZSA-N 360.461 3.362 30 50 FGEA C#CCCC1(CCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)N=N1 952883432 XETXXVNDIFMPHU-UHFFFAOYSA-N 370.428 3.033 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1)c1ccccc1 5484000 AZLFHVRRYXDANO-PKOBYXMFSA-N 363.413 3.444 30 50 FGEA C[Si](C)(C)CCOCOC[C@@H](CC=O)OCOCc1ccccc1 169834438 JJTLMQWKPITYCY-GOSISDBHSA-N 354.519 3.464 30 50 FGEA COc1ccc(CNC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cc1C#N 328654384 XIVQWCYVAFYUAY-ZDUSSCGKSA-N 364.371 3.134 30 50 FGEA Cc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2cccc([N+](=O)[O-])c2)S1 4964804 SZCKOYZXZGOIMI-ZVCOJXFSSA-N 368.418 3.067 30 50 FGEA O=C(O)C12CC3C[C@@H](C1)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C3)C2 104202857 JRFRBFKDALNJPN-PBHQDAFSSA-N 374.353 3.182 30 50 FGEA Cc1ccc(N=C(O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)cn1 328628629 HKGGLFRPHOMXQM-LJQANCHMSA-N 353.470 3.317 30 50 FGEA O=c1c(/C=N/Cc2cccnc2)c(Nc2ccccc2)nc2ccccn12 2294598 YDAAIMRPMHEFDN-HZHRSRAPSA-N 355.401 3.452 30 50 FGEA O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\O 18128386 DDLZLOKCJHBUHD-WAVHTBQISA-N 356.179 3.416 30 50 FGEA in-vivo C=CCN(CC=C)C(=O)NCCCCCCNC(=O)N(CC=C)CC=C 4775489 HOVAKXYIEVRZJG-UHFFFAOYSA-N 362.518 3.314 30 50 FGEA OCC#Cc1csc(CN2CCN(c3nsc4ccccc34)CC2)c1 67742157 QIWFVLMXXGDZJF-UHFFFAOYSA-N 369.515 3.024 30 50 FGEA Cc1ccc2c(c1)CCN(/C(O)=N/[C@H](c1nccn1C)C1CCOCC1)C2 329519325 ZRGOOUWRHRKJIQ-IBGZPJMESA-N 368.481 3.169 30 50 FGEA C=CCS(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 12431691 VJIOKHUEWXMILM-GOSISDBHSA-N 373.474 3.259 30 50 FGEA Cc1cc(C)c(C#N)c(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)n1 247873024 MFFJGIKAAAYYKL-MOPGFXCFSA-N 360.461 3.198 30 50 FGEA C=C(C)COc1ccc(CN2CCNC(=O)C23CCCC3)cc1OCC 1506404124 SBESOMMDAAALOQ-UHFFFAOYSA-N 358.482 3.285 30 50 FGEA COc1cc(Br)ccc1CCC/N=C(/O)N1CCCCO1 330430332 ITJDMJHGHHMSAX-UHFFFAOYSA-N 357.248 3.332 30 50 FGEA N#Cc1cc(-c2ccccc2)c(-c2ccccc2)[nH]c1=NC[C@@H]1CNCCO1 2325858410 LVYDWCJFSRHXGK-FQEVSTJZSA-N 370.456 3.109 30 50 FGEA C#CCCC1(CCC(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)N=N1 2325892339 JUPIJGPTMKKLEF-UHFFFAOYSA-N 367.453 3.027 30 50 FGEA C#CCCC1(CCNC(=O)C2(Cc3cccc(Cl)c3)CCNCC2)N=N1 2325901190 XOZMULOLWHCZAU-UHFFFAOYSA-N 372.900 3.334 30 50 FGEA C=CCN(Cc1ccccc1Cl)C(=O)c1cnc2ccccn2c1=O 55384316 NWUBEYKXZDUSJB-UHFFFAOYSA-N 353.809 3.176 30 50 FGEA O=C1CCCC(Nc2ccccc2C(=O)O)=C1I 5224344 HRXJDCOLZQCOFL-UHFFFAOYSA-N 357.147 3.196 30 50 FGEA CCCCc1ccc(S(=O)(=O)N/N=C\c2cccc(OC)c2O)cc1 17074584 ATLRREMEUHNWHO-UYRXBGFRSA-N 362.451 3.056 30 50 FGEA Cc1cc(C)n([C@H]2CCN(C(=O)CC3=C(c4ccccc4)CCC3=O)C2)n1 952987506 JTIMDNGGDKTGAX-SFHVURJKSA-N 363.461 3.480 30 50 FGEA C=CCc1cc(C(=O)Nc2c(N3CCCC3)nn(C)c2C)ccc1OC 1506416034 CXJYFXDEYJQYPZ-UHFFFAOYSA-N 354.454 3.318 30 50 FGEA C#CCN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 1143499 APSWRIHEPILIRL-UKTHLTGXSA-N 365.252 3.185 30 50 FGEA C#CCCC1(CCNC(=O)c2cccc(COC3CCOCC3)c2)N=N1 2325890946 GAZCGYXAWRXNKV-UHFFFAOYSA-N 355.438 3.078 30 50 FGEA O=C1C=C(c2ccccc2)C[C@@H](c2cccs2)[C@@H]1n1nnc([N+](=O)[O-])n1 1079212 HRIMPJVBIURDQV-BBRMVZONSA-N 367.390 3.024 30 50 FGEA CCOC12CCC(C)(CC1)/C(=N/NS(=O)(=O)c1ccc(C)cc1)C2 4991170 QUXXAKMVCUYVSO-KNTRCKAVSA-N 350.484 3.389 30 50 FGEA COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccnc2)cc1 9108998 WKEVMXMPAPRAFT-YWZLYKJASA-N 373.416 3.097 30 50 FGEA COc1ccc([C@@H]2CN(c3ccc(C#N)cn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72125704 UOGHNNQUKOAFEJ-KSEOMHKRSA-N 360.461 3.028 30 50 FGEA C=C(C)COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 219714416 UWUKMKGYZAJCHC-FTRWYGJKSA-N 352.434 3.279 30 50 FGEA CN(C)CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@@H]4[C@H]3CC[C@]21C 253595356 CKHSOFXTVRKHKX-QRXKDVQYSA-N 357.538 3.216 30 50 FGEA CCNC(=O)[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 1506421002 DEWOPXOCEPJNKA-IBGZPJMESA-N 361.489 3.344 30 50 FGEA CCOc1ccc(NC(=O)CO/N=C(\C)c2ccc(OC)c(OC)c2)cc1 1138768 ADITVSUWAXVKOR-HYARGMPZSA-N 372.421 3.482 30 50 FGEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 5062172 IPJXHBGRLRMCIL-QGZVFWFLSA-N 368.345 3.092 30 50 FGEA CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 19774884 MUSHEBVNKPRDCM-IBGZPJMESA-N 370.449 3.019 30 50 FGEA C=CCn1cc([C@@H]2c3nc[nH]c3CCN2Cc2ccc(O)cc2Cl)cn1 72426838 QDAGVBAMTWYIHR-LJQANCHMSA-N 369.856 3.299 30 50 FGEA CN(Cc1ccc(C#CCO)s1)[C@@H]1CCCN(Cc2ccccc2F)C1 22853520 KNJXQQJUCIYOLZ-GOSISDBHSA-N 372.509 3.327 30 50 FGEA C=CCOc1cccc(NC(=O)N2C[C@H]3C[C@@H](C2)[C@@H]2CCCC(=O)N2C3)c1 97657198 POVVIBMQFZHSTN-GJYPPUQNSA-N 369.465 3.116 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 827933728 COPDREKMXLGTLE-OAQYLSRUSA-N 368.521 3.034 30 50 FGEA CCn1nc(C(=O)N(C)Cc2cccc(C#N)c2)c2c1[C@H](C)O[C@H](C)C2 1875301928 WUUWSZOZRUHNCF-KGLIPLIRSA-N 352.438 3.069 30 50 FGEA C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC(C)(C)OC(C)(C)C1 190526362 OXRODUKTOZGILE-GFCCVEGCSA-N 361.511 3.325 30 50 FGEA C=CCc1cc(CN(CCOC)C[C@@H]2CCCO2)cc(OCC)c1OC 1506408190 CFRRESOGPHVBRI-IBGZPJMESA-N 363.498 3.450 30 50 FGEA COc1ccc(Cn2cnc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1 1772572648 JKSGTMCCDYBYSV-UHFFFAOYSA-N 364.254 3.392 30 50 FGEA OCCC#Cc1ccc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)cc1 12308585 UWENXMGTAFAAOT-NRFANRHFSA-N 372.472 3.168 30 50 FGEA C=CCOC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1OC 16115229 YQSVHOAJFLYIRX-NBVRZTHBSA-N 367.401 3.204 30 50 FGEA C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(OC)cc1 16956575 CRZCJYLOQHPTQR-UHFFFAOYSA-N 370.434 3.037 30 50 FGEA COc1ccc([C@@H]2CN(c3ncccc3C#N)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72168259 WQHVQUPEYHHWMK-PWRODBHTSA-N 360.461 3.028 30 50 FGEA CNC(=S)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12 1185165 OHVIGDUGMWNGND-FYJGNVAPSA-N 352.463 3.148 30 50 FGEA COc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1196169 QLOLLTCVKWONAS-UFFVCSGVSA-N 369.446 3.236 30 50 FGEA CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccn1 6742255 XXKTVORHCFXVGZ-UHFFFAOYSA-N 370.463 3.024 30 50 FGEA C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C(O)=C1/C(=O)[C@H](CO)N(C)C1=O 100659167 QNQBPPQLRODXET-AIMHRHHOSA-N 373.493 3.021 30 50 FGEA biogenic,in-vitro CC(C)/N=C(/O)CN1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 328602204 ATMGJORMPJOILY-DYESRHJHSA-N 368.481 3.379 30 50 FGEA N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)c1 1565508397 ITFJGDKBKOYPFD-NQIIRXRSSA-N 363.436 3.434 30 50 FGEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2cccc(OC)c2)cc1 17917583 JEARHPWECXDSFY-SFHVURJKSA-N 353.374 3.193 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1OC 636805 RESNABIAYNDZLH-SFHVURJKSA-N 371.433 3.235 30 50 FGEA C=CCN1C[C@H](c2nc(CC(C)C)nn2-c2ccc(OC)cc2)CCC1=O 65398920 ZYSOGXDJPVHTKU-MRXNPFEDSA-N 368.481 3.366 30 50 FGEA Cc1ccc(S(=O)(=O)N/N=C2/CCCc3c2[nH]c2ccccc32)cc1 5102198 SPPHBPJPMPCCJE-UZYVYHOESA-N 353.447 3.495 30 50 FGEA CCc1nc(CC/N=C(/O)N2CCC(c3nccs3)CC2)cs1 328739975 IFVHVYACFDYFJP-UHFFFAOYSA-N 350.513 3.498 30 50 FGEA N#Cc1cnn(-c2ccc(C(=O)N[C@@H](c3ccccc3)C(F)F)cc2)c1N 481896427 FRBAOQYAZKBSBR-INIZCTEOSA-N 367.359 3.062 30 50 FGEA C#CCCC1(CCC(=O)N[C@@H]2CCN(Cc3scnc3C)C[C@@H]2C)N=N1 2325900038 ITSRWJBOEFYIPV-GOEBONIOSA-N 373.526 3.134 30 50 FGEA Cc1n(C)c(=O)c2ccccc2[n+]1CC(=O)c1ccc(Cl)c(Cl)c1 2546651 LIHZKQUQPFCFNS-UHFFFAOYSA-N 362.236 3.324 30 50 FGEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2cc(C)nc3ccccc23)C1 328614138 VLZPSJJLHHOYJP-LJQANCHMSA-N 351.410 3.317 30 50 FGEA CCn1ccnc1[C@H](NCc1ccc(C#N)c(OC)c1)C1CCOCC1 284668447 HKOLSLDKPVQUIW-LJQANCHMSA-N 354.454 3.041 30 50 FGEA N#Cc1c(N)nc2c(c1-c1cc3ccccc3o1)CN(C(=O)C1CC1)CC2 72144665 TZZSAOQWMQSXQW-UHFFFAOYSA-N 358.401 3.243 30 50 FGEA CCOC(=O)c1cncc(-c2cccc(C(=O)N3CCC[C@H](C#N)C3)c2)c1 426359638 OMNUMHZHDBBDBN-OAHLLOKOSA-N 363.417 3.301 30 50 FGEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cn(C)nc3C)nc21 20605507 DKSXQQDQWMOWSM-UHFFFAOYSA-N 363.393 3.287 30 50 FGEA C[C@@]12OC(=N)[C@@](C#N)([C@H](c3ccco3)O1)C(C#N)(C#N)[C@@H]2c1ccccc1 239402931 RHQCNXVWUHSVNE-NDUPCHFUSA-N 358.357 3.402 30 50 FGEA C=C[C@H]1CCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)C1 299763369 ZZASTJKJQYOXGD-INIZCTEOSA-N 361.507 3.327 30 50 FGEA O=C1Nc2ccccc2/C1=N\n1c(-c2ccccc2)nc2ccccc2c1=O 1156516 PMNVVJURWZYHAY-UHFFFAOYSA-N 366.380 3.268 30 50 FGEA CCSc1nc2n(n1)[C@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2 4436201 GRTKQYNOPDOSNQ-MRXNPFEDSA-N 372.450 3.126 30 50 FGEA N#Cc1c(F)cccc1-n1ccc(=NC(=O)NC[C@H](F)C2CCCCC2)[nH]1 2325852933 ZDLXMTKZOHITHP-INIZCTEOSA-N 373.407 3.345 30 50 FGEA C#CCCC1(CCNC(=O)COc2cccc(Oc3ccccn3)c2)N=N1 2325891048 NGQRVVZQLHUBBN-UHFFFAOYSA-N 364.405 3.335 30 50 FGEA Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(CCCC#N)c2ccccc21 2846451 RUMWHFRFFDXLIQ-FQEVSTJZSA-N 352.390 3.007 30 50 FGEA COc1cc(C(=O)NC2CCCCC2)ccc1B1OC(C)(C)C(C)(C)O1 170004274 WJQWVDURDPPALS-UHFFFAOYSA-N 359.275 3.057 30 50 FGEA C=CCn1c(-c2cccs2)cn2cc(C(=O)N3CCCCC3)nc2c1=O 72480358 QQVLLIHJUDQDRC-UHFFFAOYSA-N 368.462 3.037 30 50 FGEA CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1noc2c1CCCCC2 158799090 WTQWMQJIEKTWIO-CQSZACIVSA-N 367.405 3.303 30 50 FGEA CCOc1ccc(NC(=O)N2CCC(c3ccncn3)CC2)cc1C#N 96162605 BUOAABQQTGFSIZ-UHFFFAOYSA-N 351.410 3.158 30 50 FGEA COc1ccccc1[C@H]1O[C@@]23CCCC[C@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3 239412403 SQOKEPRIYFHPFR-LNKGRISISA-N 362.389 3.204 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 8743721 IQOFJTIQIRTMFL-OAHLLOKOSA-N 361.394 3.112 30 50 FGEA CCc1nnc(/N=C(\O)[C@@H](C)N2CCN(c3ccccc3F)CC2)s1 20018955 WCODXDBEMAFPCS-GFCCVEGCSA-N 363.462 3.038 30 50 FGEA CCn1cnnc1C/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328602368 BKVYHKDMFYJNIH-YLJYHZDGSA-N 353.470 3.057 30 50 FGEA Cc1cc(C)n(Cc2cccc(C(=O)Nc3snc(C)c3C#N)c2)n1 253426957 JRZSQEGRWBJQIM-UHFFFAOYSA-N 351.435 3.437 30 50 FGEA N#Cc1ccccc1N1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1=O 82107933 MUIFFALSYVQXCD-UHFFFAOYSA-N 371.396 3.307 30 50 FGEA CC[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)c1nc(C)no1 584897002 WRTUJDZKCHLQKZ-INIZCTEOSA-N 353.426 3.096 30 50 FGEA N#Cc1cc(S(=O)(=O)N2CCC(c3ccsc3)CC2)ccc1F 186342979 XSTICDXHAKJFGM-UHFFFAOYSA-N 350.440 3.327 30 50 FGEA C#C[C@@H](C)Oc1ccc(COC(=O)c2ccc(N3CCCC3)nc2)cc1 170617240 GBUKGDZBOMEVIW-MRXNPFEDSA-N 350.418 3.439 30 50 FGEA C/C(=N\NS(=O)(=O)c1ccccc1)c1cccc(Br)c1 5102628 MXDFHUAGQXFRIX-LFIBNONCSA-N 353.241 3.152 30 50 FGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 626905 KXQCZCCHTKEKQJ-HNNXBMFYSA-N 359.397 3.316 30 50 FGEA C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 827181 MNSKHNCMACWRNE-CYBMUJFWSA-N 363.255 3.003 30 50 FGEA CCCn1ncc(-c2cc(-c3cc(O)ccc3OC)c(C#N)c(N)n2)c1C 71776282 FQAPOCUQZOQUQQ-UHFFFAOYSA-N 363.421 3.499 30 50 FGEA N#C[C@H]1CCCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)C1 426490734 QXFFTFFIFFVHST-HXUWFJFHSA-N 354.498 3.234 30 50 FGEA CC1(C)OB(c2cncc(NC(=O)OCc3ccccc3)c2)OC1(C)C 169936064 OEEKUXWNIQARJM-UHFFFAOYSA-N 354.215 3.130 30 50 FGEA in-vitro CC1(C)OB(c2ccc(B3Nc4cccc5cccc(c45)N3)cc2)OC1(C)C 169810216 ZSWRQIQPSFPHAY-UHFFFAOYSA-N 370.070 3.372 30 50 FGEA COc1ccc(CO[C@H](CC=O)COCOCC[Si](C)(C)C)cc1 169834474 JUANWKFHEZCATJ-GOSISDBHSA-N 354.519 3.498 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)N=N1 2325893599 IBPUVRORUJTYIK-QGZVFWFLSA-N 374.444 3.275 30 50 FGEA C[C@@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(Cl)cc2)N1O 4314747 WVPQFNVQEYGTEQ-HWPZZCPQSA-N 350.827 3.393 30 50 FGEA COc1cc2c(cc1-c1c(C)c(-c3ccccn3)nc(N)c1C#N)OCO2 71768118 KTJIESMHLIQZTF-UHFFFAOYSA-N 360.373 3.310 30 50 FGEA Cc1c(C#N)c(SCCn2cnc3ccccc3c2=O)nc2c1CCC2 170629789 LVWKAZHXDHAASW-UHFFFAOYSA-N 362.458 3.253 30 50 FGEA CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 827950 GNCKMQYPNBVXFW-SFHVURJKSA-N 366.373 3.122 30 50 FGEA CC[C@@H](CSC)/N=C(/O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328639261 WUZQRAMAELJWKS-ULQDDVLXSA-N 350.532 3.062 30 50 FGEA COc1ccc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)cc1OC 5494480 HPKXLCSLBUCZBH-CJLVFECKSA-N 369.465 3.259 30 50 FGEA C#CCCC1(CCC(=O)N2CCN([C@@H](C)c3nc(C)cs3)CC2)N=N1 2325886362 RXCIQBFKSLVUME-HNNXBMFYSA-N 359.499 3.012 30 50 FGEA C#CCCC1(CCC(=O)N=c2ccn(Cc3cccc4cccnc34)[nH]2)N=N1 2325892175 CUPYLCHCORHEFF-UHFFFAOYSA-N 372.432 3.196 30 50 FGEA N#CC1(CS(=O)(=O)N2CCCn3c(cc4ccccc43)C2)CCCC1 329247668 WHGJKOHYNXLNNJ-UHFFFAOYSA-N 357.479 3.261 30 50 FGEA CN(C)Cc1csc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1 71753053 LGCDRADTRTXUSU-SWLSCSKDSA-N 353.495 3.017 30 50 FGEA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3ccc(C#N)cc3)C2)CCC1=O 77287731 MKJHRTXVITUTQL-JOCHJYFZSA-N 367.493 3.449 30 50 FGEA C/C(=N\OCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cnn(C)c1 179903032 OGLTWVZEHIMOBL-YDZHTSKRSA-N 353.401 3.174 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2Cc3cnc(C(C)(C)C)nc3C2)s1 820608263 IRLOTRVXRWIQPB-UHFFFAOYSA-N 355.507 3.474 30 50 FGEA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1 1875302694 CMYLLLCQCWGQLA-BXUZGUMPSA-N 366.248 3.099 30 50 FGEA O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccco1 795084 XZODANIRGGLMDT-ABAIWWIYSA-N 359.403 3.098 30 50 FGEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1CCCCC1 170006442 DRICIUPGHWNUHO-UHFFFAOYSA-N 373.302 3.447 30 50 FGEA C=CCc1cc(C(=O)N2CCC(Cc3noc(C)n3)CC2)ccc1OC 222343568 XKKLXPGBJCKMTJ-UHFFFAOYSA-N 355.438 3.210 30 50 FGEA C=CCOc1cccc(C(=O)N2CC[C@]3(CCCN(C(C)C)C3=O)C2)c1 91951573 LXYZIHPWCHSMMB-OAQYLSRUSA-N 356.466 3.115 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)NCc2cc(-c3cccc(F)c3)no2)o1 1506427818 NUYHBUXVCNXWIK-UHFFFAOYSA-N 368.364 3.126 30 50 FGEA Clc1ccc(N/N=C/c2cccc(I)c2)nn1 4452469 ICUFMRPSMHFXHS-VGOFMYFVSA-N 358.570 3.181 30 50 FGEA O=[N+]([O-])c1ccccc1C=C/C=N/N1CCN(Cc2ccccc2)CC1 1857524628 PVYRJBCFXVRLAR-IBNNWOGISA-N 350.422 3.412 30 50 FGEA C#C[C@@H](NC(=O)[C@@H]1OC(=O)c2ccccc21)c1ccc(Br)cc1 2325829590 NMEWBSAHSPZUEC-HZPDHXFCSA-N 370.202 3.151 30 50 FGEA CC(C)(C)OC(=O)NCc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 238791299 BLZADWRBVDDUDO-UHFFFAOYSA-N 351.227 3.150 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)s1 828460882 SSSFOMJPCBAIAE-NRFANRHFSA-N 369.486 3.099 30 50 FGEA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1cc(F)cc(C#N)c1 952971061 WTQZHPIHLSSKTN-UHFFFAOYSA-N 366.396 3.287 30 50 FGEA C=CCN1C[C@H](C)N(C(=O)Nc2ccc(OC)c(NC(=O)CC)c2)C[C@@H]1C 1565510695 HIIIDKDPBKMMKD-GJZGRUSLSA-N 374.485 3.156 30 50 FGEA Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\N=C2CCCC2)NC1=O 13896429 MKGBXDRXKWDZCV-AWEZNQCLSA-N 358.467 3.150 30 50 FGEA O=C(O)c1ccc(N/N=C2/COc3cc(F)c(Br)cc32)cc1 1875252762 KBIANCLQUPQUQL-UYRXBGFRSA-N 365.158 3.495 30 50 FGEA C=CCOC(=O)N1CCC[C@H](NC(=O)Nc2cc3[nH]ccc3cc2C)C1 2325781642 RYSVVNVTBBHVKJ-HNNXBMFYSA-N 356.426 3.385 30 50 FGEA CC(C)(C)NS(=O)(=O)C1(CNc2c(C#N)ccc(Cl)c2F)CCC1 2325861066 DTZNGIONXDXZIU-UHFFFAOYSA-N 373.881 3.403 30 50 FGEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 100245282 WZBAEDGOHDNMGV-OXQOHEQNSA-N 367.445 3.377 30 50 FGEA biogenic COC(=O)c1cc(/C(O)=N/[C@@H](C)c2nc(-c3cccnc3)cs2)c[nH]1 328590464 YPGLNNMQIPXHCV-JTQLQIEISA-N 356.407 3.386 30 50 FGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)C2(c3ccc(F)cc3)CC2)C1 328628011 GTULUYLUZKPKFC-UHFFFAOYSA-N 360.429 3.141 30 50 FGEA N#Cc1cccc(C2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 96151017 YCCICWYKAOHOAP-UHFFFAOYSA-N 374.444 3.108 30 50 FGEA Cc1cc(C)n(-c2nncn2/N=C/c2ccc(Oc3cccnc3)c(C)c2)n1 1875257880 PZTUJGKJBKMRLD-FOKLQQMPSA-N 373.420 3.459 30 50 FGEA OCC[C@]1(C/N=C(/O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)CCOC1 328605999 QCJCQSKSXCUULW-IPELMVKDSA-N 365.857 3.126 30 50 FGEA CC(=O)OCC#CCSc1nnc(-c2ccc(Br)cc2)o1 2482470 ZNABCOOMCSDATD-UHFFFAOYSA-N 367.224 3.158 30 50 FGEA CC1(C)CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H]1C#N 331541854 YLUPYBDICMRKGN-FUHWJXTLSA-N 371.456 3.219 30 50 FGEA N#Cc1cccc(OC2CCN(C(=O)NC3Cc4ccccc4C3)CC2)c1 186684306 FSYGAAVWHSXMFQ-UHFFFAOYSA-N 361.445 3.278 30 50 FGEA COc1ccccc1C/C(N)=N/OC(=O)c1ccccc1Br 4599748 KMWSECVVELLZTN-UHFFFAOYSA-N 363.211 3.129 30 50 FGEA CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1c(O)ccc2ccccc12 1189475 WPAZZXDMRSUBDN-RGVLZGJSSA-N 368.462 3.399 30 50 FGEA N#Cc1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 2544887 BTNSXUWXUDYPCY-UHFFFAOYSA-N 373.199 3.214 30 50 FGEA N#CC1(C(=O)NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)CC1 67788264 NPJKKONMHMNBAF-UHFFFAOYSA-N 361.380 3.198 30 50 FGEA COc1ccccc1-c1cc(-c2ccccc2OCCO)c(C#N)c(N)n1 67894219 RJOHINBRLSUPOY-UHFFFAOYSA-N 361.401 3.249 30 50 FGEA CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccc(-n3ccnc3)cc1)C2 67975412 FWZCGJYQFBCZKO-MAUKXSAKSA-N 356.433 3.080 30 50 FGEA CC(C)n1cccc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 121765768 MHGKFOOWBYMRRG-UHFFFAOYSA-N 352.438 3.154 30 50 FGEA N#Cc1c(-c2cccc(O)c2)cc(-c2ccc(OCC(=O)O)cc2)nc1N 71575958 YLWIVVYKWUYUSQ-UHFFFAOYSA-N 361.357 3.038 30 50 FGEA COc1cc(OC)c(OC)cc1/C=N/n1c(-c2ccco2)n[nH]c1=S 5558337 JIAHZSXCZZNTKR-RQZCQDPDSA-N 360.395 3.109 30 50 FGEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1cccc(SC)c1)CCN2C 107417324 QSCTZXIIVWVCGW-OAQYLSRUSA-N 373.566 3.093 30 50 FGEA CC(C)N1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@@H]1CCO 23358102 MAPWAZBGJWESGX-DEOSSOPVSA-N 362.517 3.363 30 50 FGEA CSCCc1nc(C2(C#N)CCOCC2)n(-c2cc(C)ccc2C)n1 96136240 HRTQZIRSCIWMJC-UHFFFAOYSA-N 356.495 3.361 30 50 FGEA CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccccc1Cn1cccn1)C2 71759792 NDHPMHFLHQFWHD-HNAYVOBHSA-N 370.460 3.139 30 50 FGEA Cn1cc(N2CCC[C@H](O/N=C/c3cccc(Cl)c3Cl)C2=O)cn1 170642555 QNYJOBSHIOHPOT-CSLHCHJMSA-N 367.236 3.273 30 50 FGEA N#Cc1ccc(NC(=O)CCN2CCC([C@@H]3CCCO3)CC2)cc1Cl 189162358 QLFVZXAREYTLCQ-SFHVURJKSA-N 361.873 3.431 30 50 FGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)cc1 17112368 LWCNTNBRNOUFOE-GOSISDBHSA-N 368.433 3.036 30 50 FGEA COc1cc(OC)c2ncc(C#N)c(NCCCOC[C@H]3CCCO3)c2c1 225537255 XIFQBOCBWQEVFG-OAHLLOKOSA-N 371.437 3.121 30 50 FGEA COCc1cc(C)nc(SCC(=O)N[C@H](C)c2ccccc2)c1C#N 808306 UVKOBMKUVRBZBC-CQSZACIVSA-N 355.463 3.378 30 50 FGEA C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 25580072 YIMYFMSQIWOQPU-HEHNFIMWSA-N 352.438 3.445 30 50 FGEA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc(-c2ccc(C#N)cc2)c1 426684598 ZOBXHJTUFXUSGM-SFTDATJTSA-N 363.461 3.063 30 50 FGEA Cc1ccoc1C(=O)NCCCNc1cccc(Br)c1C#N 225493231 WSICPPMZBBYODN-UHFFFAOYSA-N 362.227 3.454 30 50 FGEA COc1cccc(-c2noc3c2CN(Cc2ccc(C#CCO)cc2)CC3)c1 67881657 VQUQLNXHROAFIM-UHFFFAOYSA-N 374.440 3.252 30 50 FGEA Cc1ccc(C)c(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)c1 32575591 PJKGYCZAHIJFAX-NHDPSOOVSA-N 372.425 3.145 30 50 FGEA CCOc1cc(/C=N/n2cnnc2)ccc1OCCOc1cccc(C)c1 2959165 RMBVQIQHEKBILO-YDZHTSKRSA-N 366.421 3.325 30 50 FGEA C=CCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 6269249 ROUWHSASTFJLGM-UHFFFAOYSA-N 358.463 3.328 30 50 FGEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 6813050 WZXOTFNHWYABNO-GOSISDBHSA-N 369.392 3.359 30 50 FGEA N#Cc1cc2c(=O)n(Cc3ccccc3N3CCCCC3)ccc2nc1O 67713451 GTBHPPZQUVVBAZ-UHFFFAOYSA-N 360.417 3.012 30 50 FGEA O/C(=N/Cc1cccc(-c2ccccn2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 329115173 MMVFMWQCIVTLMX-NQIIRXRSSA-N 367.449 3.090 30 50 FGEA Cc1ccc(C#N)c(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 91321540 NJZRGBHOBMHYEW-LJQANCHMSA-N 358.449 3.286 30 50 FGEA N#Cc1ccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)nc1 1565530286 JAFGYZUTENHLDU-AEFFLSMTSA-N 366.490 3.075 30 50 FGEA CCSc1nc2n(n1)[C@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2 4436176 VQUOSAMBRWCSJH-MRXNPFEDSA-N 356.451 3.421 30 50 FGEA C#CCCC1(CCNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)N=N1 2325886781 IYMQYDCMALRCKB-INIZCTEOSA-N 367.453 3.012 30 50 FGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@@H](Cn2ccnc2)C1 91915093 XHHBNZMPCCBAPZ-KRWDZBQOSA-N 363.461 3.329 30 50 FGEA C=CCOc1ccccc1NC(=O)N1CCCO[C@@H](CN2CCCCC2)C1 299782684 YLWWUCOIIZMCBN-SFHVURJKSA-N 373.497 3.360 30 50 FGEA O=C(C#C[C@@H]1CCCOC1)N[C@H](c1ccncc1)c1cc2ccccc2o1 1875274262 ZSAPNTSSNVCPDI-KSFYIVLOSA-N 360.413 3.463 30 50 FGEA Cc1nn(C)c(C)c1CC(O)=Nc1cnc2c(Br)cccn12 328591775 HSMHACWCXUGKGV-UHFFFAOYSA-N 362.231 3.278 30 50 FGEA CN(C)N1C(=O)C[C@@H](c2cc(Br)cs2)C2=C1CCCC2=O 4721690 LFCRZVYAFRMRPZ-JTQLQIEISA-N 369.284 3.310 30 50 FGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1c[nH]nc1-c1ccccc1 71754343 HAOKSZROPWGHRQ-UHFFFAOYSA-N 355.405 3.302 30 50 FGEA C[C@@]12CC/C(=N\OCCN)C[C@H]1C(=O)C[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 669678885 MPYLDWFDPHRTEG-DLSRREHMSA-N 360.498 3.109 30 50 FGEA CCN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C#N)cc1 1875252445 FKALNHIPTSJRRN-UHFFFAOYSA-N 359.433 3.094 30 50 FGEA Cn1cc(CNc2ccc([S@@](C)=O)c(F)c2)c(-c2ccc(C#N)cc2)n1 170592881 PWGSFBNZCLEQOF-AREMUKBSSA-N 368.437 3.447 30 50 FGEA C/C(=N\N)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\N)CC[C@]4(C)[C@H]3CC[C@@]21C 118919433 BAGRWRUJCMXJQI-OEGOVLDTSA-N 358.530 3.330 30 50 FGEA Cn1cc(C[C@H](CO)C/N=C(/O)CCc2cccc(Cl)c2Cl)cn1 328591455 BXYWZDAETKNXIH-ZDUSSCGKSA-N 370.280 3.467 30 50 FGEA C[C@@H](c1cccc(C#N)c1)N1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 2325820736 VVDPXGGNZATSDB-KRWDZBQOSA-N 372.472 3.279 30 50 FGEA CCCCCCCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 2990250 PAIGZGGAIPYVNY-UHFFFAOYSA-N 360.479 3.340 30 50 FGEA C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1ccnc(OC)c1C#N 67514893 VRYOGPMWYASNIK-KRWDZBQOSA-N 352.438 3.202 30 50 FGEA Oc1cccc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cccc(O)c2O)c1O 60275465 CPBBZPRIUALXOD-CFGDMLGUSA-N 354.406 3.358 30 50 FGEA CC1(C)C[C@@]1(CNC(=O)N1CCCn2nc(C#N)cc2C1)c1ccccc1 426488139 FUGIOVKYEXCKLT-OAQYLSRUSA-N 363.465 3.038 30 50 FGEA N#Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)c1 91907967 UVEYDPDWTWAXED-NRFANRHFSA-N 366.465 3.347 30 50 FGEA Cc1c([C@@H](C)NC(=O)c2ccc(C#N)nc2)cnn1-c1ccc(F)cc1F 91320285 USWLHEQATKGUMS-LLVKDONJSA-N 367.359 3.217 30 50 FGEA O=C(Nc1nnnn1/N=C/c1ccccc1F)c1cccc2ccccc12 1153564 QHDNRBBFXITVHZ-CIAFOILYSA-N 360.352 3.100 30 50 FGEA CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1 5864437 TYBFZGJHKXHJGN-CYBMUJFWSA-N 368.462 3.087 30 50 FGEA CCOc1ccc(/N=C2\N=C(O)C[C@H](C(=O)Nc3ccccc3)N2)cc1 987722 BWDJDYRAZRFLPF-MRXNPFEDSA-N 352.394 3.030 30 50 FGEA COc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c1O 1473738 CNMJRWCOCFQSPG-GIJQJNRQSA-N 360.826 3.484 30 50 FGEA C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328654517 XNBTWEMECSESAC-NBHGPNQESA-N 351.498 3.368 30 50 FGEA N#Cc1cccc(C(=O)N2CCC[C@]23CCCN(Cc2ccccc2)C3=O)c1 2356169931 MDERKOHRBLPMIR-QHCPKHFHSA-N 373.456 3.356 30 50 FGEA N#CC1(C(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)CCOCC1 299766234 HEIVXTHAXXARDZ-MRXNPFEDSA-N 356.401 3.076 30 50 FGEA COc1ccccc1C/C(N)=N/OC(=O)c1cccc(Br)c1 4170093 QTJKDYIOZWLQDC-UHFFFAOYSA-N 363.211 3.129 30 50 FGEA Cn1cc(-c2cc(C(=O)N3CCC[C@@H](C#N)C3)c3cc(F)ccc3n2)cn1 19841603 GAMZUVZJUKNBFB-ZDUSSCGKSA-N 363.396 3.150 30 50 FGEA N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857740850 PLAMFKLUEYIRGP-JOCHJYFZSA-N 374.444 3.051 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 628428 QXYQPFJSSUYOKI-GOSISDBHSA-N 355.434 3.472 30 50 FGEA C=CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O 1122998 RPSPZOXHDYAWMK-UHFFFAOYSA-N 357.479 3.124 30 50 FGEA Cc1c(/C=C/C(=O)c2ccc(I)cc2)cnn1C 4651150 MIMMUZOANQZDLE-VMPITWQZSA-N 352.175 3.229 30 50 FGEA Cc1cccnc1C[C@H](C)N(C)C(=O)c1ccc(C#CC(C)(C)O)cc1 218624293 BCZGTGGXVKIQDY-KRWDZBQOSA-N 350.462 3.216 30 50 FGEA C=C(C)C(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2578094 BCTGGJURYOEMFV-LURJTMIESA-N 362.188 3.325 30 50 FGEA C=CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)NC1=S 4742210 XNXWTWBJINITBU-LGMDPLHJSA-N 364.426 3.292 30 50 FGEA CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 8336826 UHNBUCOEFJDJAP-HXUWFJFHSA-N 374.444 3.392 30 50 FGEA C=CC(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1 1875302697 CMYLLLCQCWGQLA-SMDDNHRTSA-N 366.248 3.099 30 50 FGEA COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1CCc1ccccc1 707645 HNCCYCPTXKKMBW-LJQANCHMSA-N 351.402 3.222 30 50 FGEA COc1cc(/C=N/N(C)c2cc(C)nc(-c3ccccc3O)n2)ccc1O 4697420 DTIVYTFMGNOUSM-CIAFOILYSA-N 364.405 3.342 30 50 FGEA C=CCN(Cc1cccc(C(=O)OC)n1)Cc1nc(-c2ccccc2)no1 65375040 FPTFRYBVHUQZHW-UHFFFAOYSA-N 364.405 3.106 30 50 FGEA C=C(C)CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 12112388 ACUGLPNBZZKUEF-UHFFFAOYSA-N 353.466 3.435 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cn(CC)nc1C 5728188 OSNANNJFMWYUDL-SFHVURJKSA-N 371.481 3.379 30 50 FGEA Cc1ccc(CN2CCc3[nH]cnc3[C@@H]2c2ccc(C#CCO)cc2)s1 72410716 RZCZKLQXFZGLKN-NRFANRHFSA-N 363.486 3.271 30 50 FGEA COc1ccc([C@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 102719814 NIQNGEJIBOTJBP-YAJHFMINSA-N 362.389 3.204 30 50 FGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 886094862 FIAPJYNQZWGRGM-TUIFFPIZSA-N 356.445 3.476 30 50 FGEA C#CCCC1(CCNC(=O)CCc2csc3nc(C4CC4)cn23)N=N1 2325891203 XYNXTGRKRHVXMO-UHFFFAOYSA-N 355.467 3.288 30 50 FGEA CCc1cccc2c(C#N)cn(CC(=O)NCc3ccc4c(c3)OCO4)c12 807271 NHHCOIGSDRCXSL-UHFFFAOYSA-N 361.401 3.120 30 50 FGEA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O/N=C(\N)c1ccccn1 4804241 NORCYDZQSUIDRY-VIFPVBQESA-N 354.193 3.019 30 50 FGEA Fc1ccc(N2CCN(C[C@H](S)COCc3ccccc3)CC2)cc1 55464302 AYVBHPKQWXMMNF-FQEVSTJZSA-N 360.498 3.463 30 50 FGEA O/C(=N/C1CN(/C(O)=N\CCc2cc(F)c(F)c(F)c2)C1)C1CCC1 330192767 YCNBCAFVUNFMGN-UHFFFAOYSA-N 355.360 3.001 30 50 FGEA Cc1nn(C)c(C)c1-c1cc(-c2cccn2-c2cccnc2)c(C#N)c(N)n1 71767965 TXEXIFQCJBIFIQ-UHFFFAOYSA-N 369.432 3.406 30 50 FGEA C#CCCC1(CCC(=O)N2CCC(Cc3occc3C(=O)O)CC2)N=N1 952876233 HUGDLBJSUMCEQL-UHFFFAOYSA-N 357.410 3.115 30 50 FGEA C=CCOc1cccc(CN(CC)C(=O)[C@@H](C)Cn2nc(C)nc2C)c1 55568692 WRMRUXZXETWKIU-HNNXBMFYSA-N 356.470 3.145 30 50 FGEA CCOc1cccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)c1O 20064922 SPUQLXWMUXMUCU-PXLXIMEGSA-N 353.466 3.251 30 50 FGEA CC(=O)N[C@H](c1ccc(F)cc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170007598 MJGSFHFRDOTMEO-IBGZPJMESA-N 369.245 3.350 30 50 FGEA C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl 22339121 PGQGGNDQUQDCRM-ZJUUUORDSA-N 352.645 3.300 30 50 FGEA N#Cc1cccc(N2CCC[C@@H](c3nn(-c4ccccc4)cc3C(=N)O)C2)n1 328604297 JHJVBMMQMUAHPL-OAHLLOKOSA-N 372.432 3.406 30 50 FGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cc3cc(F)ccc3o2)C1 328651876 WDEAIUOXNPCZRV-UHFFFAOYSA-N 360.385 3.204 30 50 FGEA N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1 471951382 JQIJXWGPWZVSBB-KRWDZBQOSA-N 360.392 3.220 30 50 FGEA C=CCn1c(SCC(=O)OC)nnc1[C@H](C)Oc1ccc(C)cc1C 17074445 GBJZQJVPPVNTGD-AWEZNQCLSA-N 361.467 3.486 30 50 FGEA C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1CC=C 1875294045 LLRFTHDHMXAIEN-DBVUQKKJSA-N 370.493 3.163 30 50 FGEA COc1cc(C(=O)O/N=C(/C)C(=O)c2cccs2)cc(OC)c1OC 1170539 HNMSKEBFPZJAFJ-ZDLGFXPLSA-N 363.391 3.190 30 50 FGEA C=C(C)CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12304027 QXLBAMOGLGYHJL-UHFFFAOYSA-N 365.477 3.431 30 50 FGEA COc1ccc(-c2oc3cc4c(cc3c2CC(=O)NCC#N)OCO4)cc1 1857526710 UWJJIDHQOZNHON-UHFFFAOYSA-N 364.357 3.019 30 50 FGEA Cn1ccnc1[C@@H]1CCN(/C(O)=N/C[C@]2(C)CCCc3ccccc32)C1 329326066 UABVGGITMZQSOC-UTKZUKDTSA-N 352.482 3.418 30 50 FGEA C#CCCC1(CCC(=O)NC[C@@H](C(=O)OC)c2ccc(Cl)cc2)N=N1 2325892816 HJGAIXQKEJVDLH-OAHLLOKOSA-N 361.829 3.069 30 50 FGEA O/C(=N/[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)N1CC2(CCOCC2)C1 330229430 VTNWEVCXYJEZER-DLBZAZTESA-N 366.408 3.291 30 50 FGEA CCn1cc(-c2cc(-c3cc(CC(=O)O)cs3)nc(N)c2C#N)c(C)n1 71762753 JKXDXZFDMREPBV-UHFFFAOYSA-N 367.434 3.083 30 50 FGEA O=[N+]([O-])c1cc(/C=N/n2c(S)nnc2-c2cccnc2)ccc1Cl 15987614 VVPYYJQFVRBOMD-REZTVBANSA-N 360.786 3.073 30 50 FGEA C=C(Cl)CCC(=O)N1CCN(C(=O)c2ccc(C)cc2Cl)CC1 2325867422 VPAHISMSOCPYCR-UHFFFAOYSA-N 355.265 3.466 30 50 FGEA C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1 8656171 GJQYXLWNXXXKHN-UHFFFAOYSA-N 365.418 3.253 30 50 FGEA Cc1cc(NC[C@H]2CCn3ncc(/C(O)=N/C(C)C)c3C2)ccc1[N+](=O)[O-] 328603792 HGCHXFOPKAPVOC-AWEZNQCLSA-N 371.441 3.487 30 50 FGEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)/C(O)=N/Cc1ccoc1 328631374 KLWRAHZFQICETQ-GJZGRUSLSA-N 351.447 3.300 30 50 FGEA C[C@@H]1C[C@H](c2ccccc2)CN1/C(O)=N/[C@@H]1CCC(O)=N[C@@H]1[C@H]1CCCO1 329539663 CNVNSEZVAONGSP-SNOHLBKASA-N 371.481 3.445 30 50 FGEA CCOc1cc(-c2c(C#N)c(N)nc3c2CNCC3)cc(Cl)c1OCC 72141940 DWTWVUUDBNOWDJ-UHFFFAOYSA-N 372.856 3.299 30 50 FGEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N[C@H](C)CC)nc2c1=O 72480589 MPDWCHHLUFLYHY-GFCCVEGCSA-N 368.437 3.087 30 50 FGEA N#Cc1cc2c(N)c(C(=O)Nc3nc4ccccc4s3)sc2nc1N 18218182 AHACYHWRVSSHRQ-UHFFFAOYSA-N 366.431 3.194 30 50 FGEA COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)c1 1065997 FAJCSXPNRKJKSE-SFHVURJKSA-N 371.364 3.332 30 50 FGEA COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)cc1OC 9108942 KVGLLCWAGOMMOJ-GOSISDBHSA-N 367.401 3.220 30 50 FGEA CCCC(=O)C1=C(NCCc2ccccc2)CC(C)(C)[C@@H](C(=O)OC)C1=O 805838 QZTKJGQYKUURPU-LJQANCHMSA-N 371.477 3.230 30 50 FGEA COc1cc(C#N)c(NC(=O)CN2CC[C@@]3(C)C[C@H]2CC3(C)C)cc1OC 100159748 RBWMZUFQHUIPAR-VFNWGFHPSA-N 371.481 3.415 30 50 FGEA COc1ccc(S(=O)(=O)N/N=C(/C2CCCCC2)C(F)(F)F)cc1 5002794 QZHHZNDEPFUYAO-RGEXLXHISA-N 364.389 3.472 30 50 FGEA C[C@H]1C(c2cccs2)=[N+]([O-])[C@](C)(C(=O)c2ccc(Cl)cc2)N1O 2993912 WVPQFNVQEYGTEQ-MGPLVRAMSA-N 350.827 3.393 30 50 FGEA N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2 100507832 VOSIPQAIPKUIDN-GREKMHCPSA-N 356.447 3.350 30 50 FGEA C[C@@H]1Sc2ccc(/C(O)=N/[C@H]3CCO[C@@H]3c3ccnn3C)cc2N=C1O 328591112 NABOADZDBWOYQL-PKWAYOAASA-N 372.450 3.337 30 50 FGEA CN(C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 575442687 DZZBZFADICZHFV-UHFFFAOYSA-N 351.227 3.496 30 50 FGEA C#CCCC1(CCC(=O)Nc2ccc(N3CCCN(C)CC3)cc2)N=N1 952882401 QOAHDIYOXQEWML-UHFFFAOYSA-N 353.470 3.123 30 50 FGEA C=C(C)CNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 15067378 YWZVIFYGZCYDFS-UHFFFAOYSA-N 369.553 3.364 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@@H]2CN2CCc3ccccc3C2)N=N1 2325899613 OBBOTOHVVUUTNC-HXUWFJFHSA-N 364.493 3.391 30 50 FGEA O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1ccc(F)cc1 2225084 FGLBWQTVBBFTMG-UHFFFAOYSA-N 369.377 3.223 30 50 FGEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1/C(O)=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 329247348 RRJOXWKKXGUABR-NEXNMDDUSA-N 362.514 3.241 30 50 FGEA C#Cc1cncc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1 242339191 ZFSCSKYKBJQPGU-UHFFFAOYSA-N 365.414 3.456 30 50 FGEA CN(C)C(=O)On1c(-c2cccc(Cl)c2)nc2ccc([N+](=O)[O-])cc21 4002465 GGBOLRFPIUKYLY-UHFFFAOYSA-N 360.757 3.375 30 50 FGEA C[C@H](NC(=O)C#CC1(C(F)(F)F)CC1)c1ccc2c(c1)CCC(=O)N2 2325805663 ZWLZBCFWQANOIW-NSHDSACASA-N 350.340 3.094 30 50 FGEA C=CCc1cc([C@@H]2CC(=O)NCc3nc(N)sc32)ccc1OC(C)C 65387476 WTQGPGYZBGBQFH-AWEZNQCLSA-N 357.479 3.393 30 50 FGEA C[C@@H](NC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O)c1ccccc1 170624787 WHDKYKSJWXRDIP-CQSZACIVSA-N 361.401 3.112 30 50 FGEA O=C(CC1=C(c2ccccc2)CCC1=O)NC[C@@H]1COc2ccccc2O1 217928572 ZBXODCYLEQTELR-MRXNPFEDSA-N 363.413 3.149 30 50 FGEA CCCN1C[C@@H](NC(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)CC1=O 426544436 PWVKEAXALXIDHI-SFHVURJKSA-N 365.408 3.105 30 50 FGEA Cc1cn(C(=O)OC(C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12 212142756 CXAUYQLIZWLVAI-UHFFFAOYSA-N 358.247 3.427 30 50 FGEA Cc1ccc(C)c(-c2ccc(=O)n(CC(=O)Nc3cccc(C#N)c3)n2)c1 6767429 BRIGKOYKVAHLNC-UHFFFAOYSA-N 358.401 3.038 30 50 FGEA N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(Cl)s3)C2)nc1 366201783 HGTNJYXKDINWQT-GFCCVEGCSA-N 362.842 3.031 30 50 FGEA CCSc1ncc(-c2cc(-c3c(C)nn(C)c3C)nc(N)c2C#N)cn1 71775765 PWMQTTIJEOQVGJ-UHFFFAOYSA-N 365.466 3.122 30 50 FGEA C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC=C)C1 14742078 DGJRKPHZRSOQNT-GOSISDBHSA-N 368.525 3.227 30 50 FGEA N#Cc1ccccc1-c1ccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)o1 1857714968 VASDNYPTBCNFNJ-WIYYLYMNSA-N 359.429 3.249 30 50 FGEA C=CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 4865890 HUBWWGYJLSCRGE-UHFFFAOYSA-N 367.405 3.122 30 50 FGEA Cc1c(N[C@H](C)C(C)C)cccc1/C(O)=N/C[C@H](CO)Cc1cnn(C)c1 328589826 IRENTXCMNBEFGN-SJLPKXTDSA-N 372.513 3.341 30 50 FGEA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1sccc1C#N)CC2 328656040 ZABZQXBYPOBURV-AWEZNQCLSA-N 372.519 3.203 30 50 FGEA C=C(Br)CN1CCN(C(=O)c2ccc(CC)cc2)[C@@H](C)C1 2325867194 NYFAOUGBPHLRBD-AWEZNQCLSA-N 351.288 3.304 30 50 FGEA CCN(CCNC(=O)c1ccc2ccncc2c1)Cc1cccc(C#N)c1 2325868321 WKYPRSGUNXZQET-UHFFFAOYSA-N 358.445 3.358 30 50 FGEA CCCCCC(=O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 100015711 YRTJDWROBKPZNV-HXYYGNQNSA-N 350.455 3.459 30 50 FGEA in-vitro COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc([N+](=O)[O-])c(C)s1 792587 OLXWZTOOEONOFY-MRXNPFEDSA-N 362.407 3.106 30 50 FGEA C=C(C)COc1ccccc1C(=O)N(C)Cc1nc(-c2ccncc2)no1 55052708 QXTYYOLHZKMBPI-UHFFFAOYSA-N 364.405 3.359 30 50 FGEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccccc3C#N)o2)cc1 170623845 WKKYSIGUIDDDMK-UHFFFAOYSA-N 363.398 3.367 30 50 FGEA Cc1ccccc1-n1cc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)cn1 71576146 QHVROMMODRSGPW-UHFFFAOYSA-N 371.400 3.449 30 50 FGEA COC(=O)c1ccccc1N(CCCC#N)S(=O)(=O)c1ccc(C)cc1 138489048 YWWABXVTNCTBPZ-UHFFFAOYSA-N 372.446 3.281 30 50 FGEA N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3cccc(O)c3)C2)c(F)c1 299801309 ZBRVGQPZBAJZSB-MRXNPFEDSA-N 368.412 3.189 30 50 FGEA Cn1cc(N2CCC[C@@H](O/N=C/c3cccc(Cl)c3Cl)C2=O)cn1 170642557 QNYJOBSHIOHPOT-AVVUEXNVSA-N 367.236 3.273 30 50 FGEA CC[C@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@H](C)C3)c2C#N)C1 13322470 KUIIAAFIFVHUFW-MJBXVCDLSA-N 361.511 3.182 30 50 FGEA C=CCc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(OCC)c1O 4508992 VADSAEFWMUSHLP-DEDYPNTBSA-N 374.462 3.140 30 50 FGEA C#CCCC1(CCC(=O)N[C@]2(C(=O)OC)CC[C@H](C)c3ccccc32)N=N1 2325894920 YEIQOIMYKHEGDO-YCRPNKLZSA-N 367.449 3.424 30 50 FGEA Cc1onc(-c2ccccc2Cl)c1C(=O)O/N=C(\N)c1ccccn1 4821377 KBJGQXMXWFFENC-UHFFFAOYSA-N 356.769 3.176 30 50 FGEA CC(C)n1cc([C@H]2OCC[C@@H]2/C(O)=N/CCc2cn3c(n2)CCCC3)cn1 328614244 ACRXRYZONJYWEP-PKOBYXMFSA-N 371.485 3.274 30 50 FGEA O/C(=N/Cc1cccc(-c2ccccn2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 329115174 MMVFMWQCIVTLMX-WIYYLYMNSA-N 367.449 3.090 30 50 FGEA CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C 33353095 GAAPNDHMKKDURC-UHFFFAOYSA-N 352.504 3.193 30 50 FGEA biogenic COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 628435 QXYQPFJSSUYOKI-SFHVURJKSA-N 355.434 3.472 30 50 FGEA Cc1nc(-c2ccc(CCNC(=O)c3ccc(C#N)nc3)s2)cs1 115323391 YCEJEQUREHOJCH-UHFFFAOYSA-N 354.460 3.419 30 50 FGEA C#CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 8570540 AFHVVJSQFPSOLY-UHFFFAOYSA-N 361.401 3.329 30 50 FGEA C[C@H](CCc1ccc2c(c1)OCO2)/N=C(/O)N[C@]1(C)CCO[C@H]1C1CC1 329562052 NBACYXYFAFWOOM-ORPRQENYSA-N 360.454 3.198 30 50 FGEA CCn1cc(-c2cc(-c3cnn(-c4ccccc4)c3)nc(N)c2C#N)cn1 71750943 XXBDAZMSJBIRTQ-UHFFFAOYSA-N 355.405 3.272 30 50 FGEA C=C(C)C(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95676564 BCTGGJURYOEMFV-ZCFIWIBFSA-N 362.188 3.325 30 50 FGEA Cc1ccc(S(=O)(=O)CCc2nc3ccccc3n2CCC#N)cc1 2500942 LBWBFOYVXRZDJB-UHFFFAOYSA-N 353.447 3.275 30 50 FGEA O=C1C[C@@H](C(=O)Nc2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 100125559 BJTHHPKUOAYFRA-DOTOQJQBSA-N 360.413 3.162 30 50 FGEA N#Cc1ccccc1C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67920154 XHULYHUXPAEQBH-UHFFFAOYSA-N 371.396 3.361 30 50 FGEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1Cc1ccc2ncccc2c1 82170820 KLVVBGGBKSGIQL-MRXNPFEDSA-N 356.429 3.344 30 50 FGEA C#CCCC1(CCC(=O)NCC(C)(C)N2CCc3ccccc3C2)N=N1 952881621 MCBBUWMKIHAINZ-UHFFFAOYSA-N 352.482 3.295 30 50 FGEA C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886096851 QIUZHDGARRRIQX-KKSFZXQISA-N 350.466 3.229 30 50 FGEA CC1(C)OB(c2ccc(NC(=O)NCc3ccccc3)cc2)OC1(C)C 169745750 CEICAHXVTFTLSN-UHFFFAOYSA-N 352.243 3.308 30 50 FGEA in-vitro C=CC[C@@H]1C=CC[C@@H](CC=C)N1S(=O)(=O)c1ccsc1C(=O)O 1506404958 BBGFBSDXVZXDLS-CHWSQXEVSA-N 353.465 3.286 30 50 FGEA CN(C)c1ccc(/C=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1155662 JHOBBMNCJZFNAY-XSFVSMFZSA-N 359.495 3.363 30 50 FGEA COC(=O)[C@@H](OC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(C#N)cc1 778539455 YCGJYTREVXDEHU-INIZCTEOSA-N 354.749 3.154 30 50 FGEA C#CCn1c([C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 8786761 SHBJDJDWWGNHLN-QGZVFWFLSA-N 359.429 3.194 30 50 FGEA CC(C)c1nc2n(n1)C[C@H](/N=C(/O)[C@@H]1CCCN1c1ccccc1)CC2 329887789 XXCCWFWAPDWOJS-WBVHZDCISA-N 353.470 3.342 30 50 FGEA O=[N+]([O-])c1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 244602097 DXLAPXDLGPZWKB-UHFFFAOYSA-N 358.829 3.400 30 50 FGEA COC(=O)C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(Br)cc1 225588516 BMZAVLCQMWTICJ-ZDUSSCGKSA-N 367.243 3.109 30 50 FGEA COc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccco2)cc1OC 16945480 QAFUGLASQXHOQK-OBQYLLBLSA-N 356.407 3.391 30 50 FGEA C/C(=N\N)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\N)CC[C@]4(C)[C@H]3CC[C@@]21C 1857525064 BAGRWRUJCMXJQI-OLIMDUNMSA-N 358.530 3.330 30 50 FGEA COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c(OC)c1 85704183 KCJKNHGHDJWYMY-HNNXBMFYSA-N 364.353 3.068 30 50 FGEA O=C(C[n+]1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1 2252156 VUEFJZYMNYZFQS-UHFFFAOYSA-N 367.860 3.495 30 50 FGEA Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)c1 4784408 KUHQNKTZNPHEFZ-QFIPXVFZSA-N 362.429 3.414 30 50 FGEA COCOc1ccc(N=C(O)c2ccc(Cn3ccccc3=O)o2)cc1 328591410 JJQRMJOLSCTSLE-UHFFFAOYSA-N 354.362 3.109 30 50 FGEA COCc1ncc(-c2cc(-c3cc(C)sc3C)nc(N)c2C#N)cn1 67713940 JBZXMGVDUVFELH-UHFFFAOYSA-N 351.435 3.484 30 50 FGEA C=CCOc1ccccc1-c1c(-c2ccccc2)ncn1C(C)(CO)CO 65405371 GXZSNBKYXBPPAN-UHFFFAOYSA-N 364.445 3.482 30 50 FGEA Cc1c(CN2CCC([C@H](O)CCc3ccccc3)CC2)cc(C#N)n1C 72420151 YPADNHYKGANBRW-JOCHJYFZSA-N 351.494 3.411 30 50 FGEA N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(Cn2ccnn2)CC1 225542228 AIOPHZSZMIJCMV-UHFFFAOYSA-N 372.354 3.032 30 50 FGEA COc1cc2c(cc1OC)C1(CCN(c3ncccc3C#N)CC1)OCC2 1704306045 ZWGZASFLRGLKBS-UHFFFAOYSA-N 365.433 3.039 30 50 FGEA CC(C)(C)OC(=O)C1CCN(c2ccc(/C=N/Nc3ccncn3)o2)CC1 1875272309 KAEGNKXPOVUSLX-WSDLNYQXSA-N 371.441 3.074 30 50 FGEA N#Cc1cc(-c2nnc([C@H]3OCC[C@H]3Cn3cccn3)o2)ccc1Cl 886096680 OSIUIYMXEHICAV-WFASDCNBSA-N 355.785 3.236 30 50 FGEA Cn1c(N/N=C/c2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 4784524 QTFQLSUIMZHPCH-KEBDBYFISA-N 368.462 3.292 30 50 FGEA O=c1[nH]c2ccc(/N=C/c3cc4c(cc3Br)OCO4)cc2[nH]1 101056929 HKWOHSZVYOVDKS-UBKPWBPPSA-N 360.167 3.098 30 50 FGEA Cc1ncc(-c2cc(-c3cnn(-c4ccccc4)c3)nc(N)c2C#N)n1C 71761044 XPMJBKWCJXJEPQ-UHFFFAOYSA-N 355.405 3.097 30 50 FGEA C#CCCC1(CCC(=O)N2[C@H]3CC[C@H]2CC(O)(Cc2ccccc2)C3)N=N1 1875368646 HTDJPGUALOXLAA-OALUTQOASA-N 365.477 3.469 30 50 FGEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(OC)c2O)cc1 1305910 LWDZORXBJGJVBW-VCHYOVAHSA-N 356.407 3.213 30 50 FGEA CCc1ccc(C(=O)N2CCCN(Cc3cc(C#N)n(C)c3C)CC2)s1 1775978455 NZPDQMYKESQSQN-UHFFFAOYSA-N 370.522 3.177 30 50 FGEA C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccc([N+](=O)[O-])cc1 19879148 KFNACUWGNPNOAH-HEHNFIMWSA-N 352.438 3.445 30 50 FGEA CCOc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1475894 XLYKDZUZNVROCL-XDHOZWIPSA-N 354.435 3.427 30 50 FGEA CN1CCO[C@H](/C(O)=N/Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 329843060 KSWOKCDDQWTDHL-NRFANRHFSA-N 366.461 3.466 30 50 FGEA O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ccccn2)CC1 18222880 KWNYPHGYOPXYPZ-UHFFFAOYSA-N 367.452 3.444 30 50 FGEA C#CCCC1(CCNC(=O)CN(C(=O)c2ccccc2)c2ccccc2)N=N1 2325890914 COSSXWUJTHESLJ-UHFFFAOYSA-N 374.444 3.415 30 50 FGEA CCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 4945342 XJOIFOWRFRAHGS-SFHVURJKSA-N 371.433 3.235 30 50 FGEA Cc1noc(C)c1C/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328635436 USPBUFDQKMCASF-NSHDSACASA-N 356.348 3.268 30 50 FGEA OC(=Nc1cnns1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328602175 ARFOZXFFFZJZIE-WFASDCNBSA-N 359.386 3.229 30 50 FGEA C/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cc(O)ccc1O 17074572 PZSZVADJOBVVBR-UNOMPAQXSA-N 362.451 3.098 30 50 FGEA N#Cc1ccc(N2CCCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc1 1772811137 QCOTXIQWDTWDBG-UHFFFAOYSA-N 372.831 3.027 30 50 FGEA CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC 13427593 JSCQQZUIHMITGK-BMOWLENRSA-N 373.400 3.374 30 50 FGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1O 19300831 VXNDBBXIVOBXGK-QGZVFWFLSA-N 371.433 3.178 30 50 FGEA C#CCCC1(CCNC(=O)[C@@H]2CCn3c(cnc3-c3ccccc3)C2)N=N1 2325891163 UTUKGMCBMDOZGB-QGZVFWFLSA-N 361.449 3.194 30 50 FGEA Cc1ccc(OC2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 116882935 FVHFRMMUMMRVAY-DYESRHJHSA-N 357.498 3.281 30 50 FGEA N#Cc1cc(F)cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c1 72149958 QIDDSRPYLGEBEQ-NRFANRHFSA-N 363.436 3.013 30 50 FGEA COc1nccc(N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c1C#N 71738887 NCXFARFDWYZVKA-GFCCVEGCSA-N 357.360 3.339 30 50 FGEA CCC[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 1775983854 DDYDLGFJEBNQMA-FUHWJXTLSA-N 354.454 3.061 30 50 FGEA COc1cccc(/C=N/N2C(=O)c3cccc4cccc(c34)C2=O)c1OC 2872980 SLWRRIACDUKUSK-WSDLNYQXSA-N 360.369 3.487 30 50 FGEA Cc1cc(-c2cc(-c3cnc(N(C)C)nc3)c(C#N)c(N)n2)c(C)s1 67803503 VGVWQNABUUCVFG-UHFFFAOYSA-N 350.451 3.404 30 50 FGEA N#Cc1ccc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)c(F)c1 285033139 IQAKAPOJERGAMY-UHFFFAOYSA-N 369.415 3.412 30 50 FGEA CCc1noc(CN(CC)C(=O)c2cccc(-c3cc(C#N)ccn3)c2)n1 426380143 RGRVDMKIBJFGES-UHFFFAOYSA-N 361.405 3.228 30 50 FGEA COc1ccc(C/C(N)=N/OC(=O)COc2cccc3ccccc23)cc1 5044352 BHZIAXOFOPPBRV-UHFFFAOYSA-N 364.401 3.285 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 13286626 WMVWLIJNQNLDKI-IBGZPJMESA-N 371.433 3.235 30 50 FGEA C=CCn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CCCC3 904409 CPQFLKLKKYUQHA-UHFFFAOYSA-N 364.492 3.178 30 50 FGEA CO/N=C(/C(=O)Sc1nc2ccccc2s1)c1csc(N)n1 2149439 COFDRZLHVALCDU-LICLKQGHSA-N 350.450 3.004 30 50 FGEA N#Cc1ccc(NC(=O)CCCN2CCN(C3CCCCC3)CC2)cc1 244707938 KKLTXTDDEICMLC-UHFFFAOYSA-N 354.498 3.227 30 50 FGEA CC[C@H](C)[C@H](/N=C(/O)N1CCN(c2cccc(O)c2)CC1)C(F)(F)F 331320518 JKEDULSBXPBNEO-WFASDCNBSA-N 359.392 3.405 30 50 FGEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 1025524 CNPRPPLXCIYPQR-DJJJIMSYSA-N 373.474 3.438 30 50 FGEA C#CCCC1(CCNC(=O)[C@H](OC2CCOCC2)c2ccccc2)N=N1 2325891091 PZBBHYWLTOFKHQ-GOSISDBHSA-N 355.438 3.005 30 50 FGEA Cc1ccncc1N=C(O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328636524 VNGICGGDBQRWPF-OAHLLOKOSA-N 359.430 3.199 30 50 FGEA C#CCCC1(CCC(=O)N2CCC([C@H](O)c3cccc(OC)c3)CC2)N=N1 1875368696 LICSMZYROYTHSV-FQEVSTJZSA-N 369.465 3.323 30 50 FGEA CC(=O)/N=C1\O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(C#N)(C#N)[C@H](c1ccccc1)O3 257540563 UFXCQVZKTDBYFB-NRHGSQNYSA-N 374.400 3.163 30 50 FGEA CCN(CCNC(=O)c1ccc2ccncc2c1)Cc1ccc(C#N)cc1 2325867079 KBUUEIYGRNWVKH-UHFFFAOYSA-N 358.445 3.358 30 50 FGEA CCn1cc(-c2cc(-c3cc(C(=O)OC)oc3C)nc(N)c2C#N)c(C)n1 71439841 VMHJRIQFTOGDPR-UHFFFAOYSA-N 365.393 3.082 30 50 FGEA CC(C)n1cnnc1[C@H](C)NC(=O)CC1=C(c2ccccc2)CCC1=O 827999747 NBQXQXKBRCAXQR-AWEZNQCLSA-N 352.438 3.243 30 50 FGEA C[C@H](Sc1ccnc2cc(Cl)ccc12)C(=O)[C@@H](C#N)C(=O)NC1CC1 170654718 RXTBUFYBEOEFAV-IINYFYTJSA-N 373.865 3.356 30 50 FGEA C#CCN(Cc1ccco1)Cc1c[nH]nc1-c1ccc(OC)cc1OC 12299840 YPJRDXKVANLBMK-UHFFFAOYSA-N 351.406 3.322 30 50 FGEA O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(S)nnc2-c2ccccn2)c1 17246829 XNOUMTVPIOJNEP-CAOOACKPSA-N 360.786 3.073 30 50 FGEA C=C[C@H]1OCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C 1857531788 MPAZPXVOORCLJJ-UWIFEVILSA-N 364.873 3.403 30 50 FGEA C#CCCC1(CCC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)N=N1 2325886107 QEWCRUPGHDGHPC-INIZCTEOSA-N 353.422 3.477 30 50 FGEA COc1ccc(N[C@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1OC 72163977 GCBGDGSLKZMBJT-KRWDZBQOSA-N 352.438 3.360 30 50 FGEA COc1ccc(F)c(F)c1-c1c(C)c(-c2cnn(C)c2)nc(N)c1C#N 71774782 WQGXDTNYWIDQHG-UHFFFAOYSA-N 355.348 3.198 30 50 FGEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C(\C)c2cc(O)ccc2O)cc1 17074586 MNESKELLHMSRKD-NHLWYUBBSA-N 362.451 3.314 30 50 FGEA Cc1ncc(S(=O)(=O)N2CC3(CCC3)c3c(F)cccc32)cc1C#N 408358983 RPVQHPLREHZLPB-UHFFFAOYSA-N 357.410 3.031 30 50 FGEA C=CCOc1ccccc1CN1CCN(Cc2cccs2)[C@@H](CCO)C1 20452576 XSYJURNRLYTCPP-IBGZPJMESA-N 372.534 3.382 30 50 FGEA O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 4987454 ADDQEJQHKRSVDG-HZPDHXFCSA-N 361.397 3.420 30 50 FGEA COCc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1OC 71730321 HHCQXQYUDJWZOZ-UHFFFAOYSA-N 363.421 3.364 30 50 FGEA N#C[C@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C1 219005840 MPZUHBKMODBMMT-QGZVFWFLSA-N 368.458 3.036 30 50 FGEA COc1ccc(/C=N/N=C2\C[C@H](c3ccccc3)Cc3n[nH]c(=O)cc32)cc1 16511435 AXLLPXUFZZJCLN-RWYUFDCLSA-N 372.428 3.332 30 50 FGEA Cc1ccc(N=C(O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)nc1 328631733 KVBTZQXAMCUAPC-MRXNPFEDSA-N 368.485 3.363 30 50 FGEA Cc1cc(C#N)cnc1N1CC[C@]2(NC(=O)[C@@H]3CC[C@@H](C)C3)CCC[C@H]12 1875405619 KOMBLESWIQCILU-WMIGDMCZSA-N 352.482 3.316 30 50 FGEA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccc(C#CC(C)(C)O)o1 1506405122 IKDMZPZORJKLAO-AWEZNQCLSA-N 369.417 3.006 30 50 FGEA Cc1ccc(S(=O)(=O)ON2C(=O)c3cccc4cccc(c34)C2=O)cc1 2938448 BKQXXLVXLSREHB-UHFFFAOYSA-N 367.382 3.065 30 50 FGEA CCc1cc(C)cc(OCCOc2ccc(/C=N/n3cnnc3)cc2)c1 2962166 RBDKIESYVVBJLU-YDZHTSKRSA-N 350.422 3.489 30 50 FGEA C#CCCC1(CCC(=O)NCc2ccnc(N3CCCCCC3)c2)N=N1 952883681 YSPJRBRSVDKJFV-UHFFFAOYSA-N 353.470 3.434 30 50 FGEA N#Cc1nccnc1N1C[C@@]23CCCC[C@@]2(CN(Cc2ccccc2)C3)C1 1875347197 KLJZWMRTXXQRLX-SZPZYZBQSA-N 359.477 3.231 30 50 FGEA CN(C)[C@H](CNC(=O)CC1=C(c2ccccc2)CCC1=O)c1ccco1 952989540 WAIJBMUGOMFGMA-GOSISDBHSA-N 352.434 3.205 30 50 FGEA C=CCn1c(-c2cncnc2O)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 1355981574 PNDVXDWYDJWDLH-GUYCJALGSA-N 360.421 3.065 30 50 FGEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 12297297 FWOFXDZDBVYRRK-NRFANRHFSA-N 356.466 3.003 30 50 FGEA C#CCCC1(CCNC(=O)c2cc(C)nc3c2c(C)nn3C(C)(C)C)N=N1 2325891095 QHQDHVCOCHBAJS-UHFFFAOYSA-N 366.469 3.499 30 50 FGEA CCOc1ccc(NC(=O)N2CCC(N3CCSCC3)CC2)cc1C#N 96165478 GFTFIKKFCFJCCZ-UHFFFAOYSA-N 374.510 3.002 30 50 FGEA Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](c3ccncc3)C2)c(C#N)c1C 295692148 DLTDMPHOUOORMN-YOEHRIQHSA-N 352.438 3.370 30 50 FGEA C#CCCC1(CCC(=O)N(CCOc2ccccc2)C2CCOCC2)N=N1 2325886074 KCCFMRAPYVCXPF-UHFFFAOYSA-N 369.465 3.429 30 50 FGEA Cc1cnn([C@@H]2CCN(/C(O)=N/[C@H](C)[C@@H]3CCCN(C4CCC4)C3)C2)c1 329544033 FTGNSIRDHQYOIA-ZHALLVOQSA-N 359.518 3.005 30 50 FGEA N#Cc1cccc(S(=O)(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c1 72479142 AMJNJQFQCIXZQK-KRWDZBQOSA-N 361.511 3.024 30 50 FGEA N/C(=N\c1cccc(Cl)c1Cl)Nc1nc(C(F)(F)F)cc(=O)[nH]1 86000961 PJFBWSSWCAVCKQ-UHFFFAOYSA-N 366.130 3.154 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 952868497 QJCSKANRBNFATC-IBGZPJMESA-N 362.473 3.065 30 50 FGEA C#CCCC1(CCC(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)N=N1 2325892676 WNDWCVOYHZRHJQ-UHFFFAOYSA-N 365.433 3.429 30 50 FGEA CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(CCCC)C(C)=C1C(C)=O 2871640 JPSNQTRBPCWDPS-MRXNPFEDSA-N 362.392 3.099 30 50 FGEA CN(CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 221755262 PARGGKARAWEVQO-UHFFFAOYSA-N 361.291 3.395 30 50 FGEA N#Cc1cccc(-c2ccc(C(=O)N[C@@H]3CCCN(C(=O)C4CC4)C3)cc2)c1 426538460 UCCJGSZCYNYEKX-OAQYLSRUSA-N 373.456 3.356 30 50 FGEA N#Cc1cccnc1N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95498720 GSVLVSHQPKGHHY-OAHLLOKOSA-N 350.451 3.039 30 50 FGEA C[C@H](c1nnc(N)s1)n1cc(-c2ccc(-c3ccccc3C#N)o2)nn1 91604280 DLEYIROVWIEDNP-SNVBAGLBSA-N 363.406 3.120 30 50 FGEA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N/NC(N)=S 252694571 MOQTVGQHEGMMDS-JEYWJFGTSA-N 361.555 3.499 30 50 FGEA biogenic C#Cc1ccc(CN(CC)CC2CCN(C3CCN(C)CC3)CC2)cc1 11710183 HLQVICMOQXPGDP-UHFFFAOYSA-N 353.554 3.296 30 50 FGEA C=CCOc1cccc(C(=O)NCCN2Cc3ccccc3O[C@@H](C)C2)c1 12041712 LFOBZCUZNRZRPM-KRWDZBQOSA-N 366.461 3.264 30 50 FGEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OCC)c1 2531292 WDMCODGFRXKQEI-FYJGNVAPSA-N 371.462 3.122 30 50 FGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2ccnc3[nH]ncc23)C1 1857720505 XDHGHQUSSHIZGB-HNNXBMFYSA-N 363.421 3.134 30 50 FGEA C#CCCC1(CCNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)N=N1 2325891229 ZHLPNIZAAXGDLY-UHFFFAOYSA-N 372.432 3.175 30 50 FGEA N/C(Cc1ccc(Cl)c(Cl)c1)=N\OC(=O)c1ccc2c(c1)OCO2 4958070 BPGQPUJILOJCKP-UHFFFAOYSA-N 367.188 3.394 30 50 FGEA Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 35287459 GOCADJZGBKCYNV-OAHLLOKOSA-N 369.483 3.347 30 50 FGEA COc1ncc(-c2cc(-c3ccccc3OC(C)C)nc(N)c2C#N)cn1 71771123 JIPTVNXJDWWBQZ-UHFFFAOYSA-N 361.405 3.455 30 50 FGEA O/C(CN1CCC2(CC1)OCCO2)=N\c1nnc(C2CCCCC2)s1 17075299 KLRVUJSBCYYFEB-UHFFFAOYSA-N 366.487 3.013 30 50 FGEA COCC[C@H]1CN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)CCO1 426474055 APJHMWYLDSHWRE-FQEVSTJZSA-N 350.418 3.103 30 50 FGEA C=CCOc1cccc(NC(=O)N[C@@](C)(CC(=O)OC)c2ccncc2)c1 170609703 XKERWOBKDYPLHF-FQEVSTJZSA-N 369.421 3.246 30 50 FGEA CC(=O)Nc1ccc(/C(C)=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4947426 BMTMKVPZHZNATM-ZDLGFXPLSA-N 357.326 3.298 30 50 FGEA CC[C@@H]1CCc2c(sc(NC(=O)C3CCN(C(C)=O)CC3)c2C#N)C1 6731633 MJVHHACPCWUNJZ-CYBMUJFWSA-N 359.495 3.332 30 50 FGEA OC1=N[C@@H]2CCCC[C@@H]2N(/C(O)=N/CCc2ccc3ccccc3n2)C1 330216038 HKOFSZBKESDYIC-MSOLQXFVSA-N 352.438 3.275 30 50 FGEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C(\C)c2cc(O)ccc2O)cc1 17074585 MNESKELLHMSRKD-MCMJHOFTSA-N 362.451 3.314 30 50 FGEA C#CCN1CC[C@H](N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)CCC1=O 199296014 NKYALKVOKGGXLR-FUHWJXTLSA-N 350.466 3.084 30 50 FGEA CC1CC(n2nnc3c2CN(Cc2c(C#N)n(C)c4ccccc24)CC3)C1 1875404797 VDMGKMYPJJOXRQ-UHFFFAOYSA-N 360.465 3.171 30 50 FGEA Cc1c(Br)cc(/C(O)=N/C(C)(C)c2nccs2)c(=O)n1C 331202169 BCZZETWMSVUSIN-UHFFFAOYSA-N 370.272 3.153 30 50 FGEA COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3NCCc4ccccc43)c2c1 2325859990 SUPUPTGQLOQMHN-IBGZPJMESA-N 374.444 3.423 30 50 FGEA Cc1nnc(C)n1/N=C/c1cc(Br)cc(Br)c1O 1001743 NZAFVHVKGSZJDY-LHHJGKSTSA-N 374.036 3.008 30 50 FGEA N#Cc1c(-c2ccc(OCCn3ccnc3)cc2)cc(-c2ccc[nH]2)nc1N 71439830 DMDUCACBHLRXPC-UHFFFAOYSA-N 370.416 3.473 30 50 FGEA Cc1cc(Oc2c(C3CC3)nn(CS(C)(=O)=O)c2C)cc(C)c1C#N 43203372 QSFGZNVRVZHUGV-UHFFFAOYSA-N 359.451 3.352 30 50 FGEA investigational N#Cc1cccc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)c1 92021956 FOWWFJUQDVFULX-JOCHJYFZSA-N 365.477 3.346 30 50 FGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)o1 952981416 MMEVZLVZFNWSMW-UHFFFAOYSA-N 367.445 3.223 30 50 FGEA N#Cc1ccc(S(=O)(=O)Nc2nnc(CC3CCCC3)o2)c(Cl)c1 194899655 XYGYDRDAPMCINB-UHFFFAOYSA-N 366.830 3.128 30 50 FGEA OCC[C@H](/N=C(/O)c1cccc(Br)c1F)C1CCOCC1 331202396 XJUZNTNAUVEBAU-ZDUSSCGKSA-N 360.223 3.070 30 50 FGEA O=C(CC1=C(c2cccs2)CCC1=O)NCc1cnn2ccccc12 72169903 MSOHQVYTQZHIQO-UHFFFAOYSA-N 351.431 3.219 30 50 FGEA O=C(CN1C=C/C(=C2/C=CC=[S+]2)N=C1)c1ccc(Br)cc1 328579929 RWGHGGJZSVXPIM-JQIJEIRASA-N 360.256 3.156 30 50 FGEA Cc1nc(N[C@@H]2CCCN(Cc3ccccc3F)C2)c(C#N)cc1C(=O)O 1506424824 NNZQUZFJDZVGRK-MRXNPFEDSA-N 368.412 3.176 30 50 FGEA COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1cccc([N+](=O)[O-])c1 3129798 RIKGHGOEMQWXNR-PQFHHTBUSA-N 351.362 3.279 30 50 FGEA O/C(=N/[C@]1(C(F)(F)F)CCc2ccccc21)c1cc2n(n1)CCCO2 330335544 RRKDMRJPRCQROF-MRXNPFEDSA-N 351.328 3.374 30 50 FGEA CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 847108 JTWMEZCLGMHEKM-MRXNPFEDSA-N 356.309 3.223 30 50 FGEA C=CC(=O)NCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 887704575 KISPPJPNHAINHV-UHFFFAOYSA-N 373.456 3.380 30 50 FGEA COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 8771188 LKHKZVWDEHCSHB-INIZCTEOSA-N 357.431 3.363 30 50 FGEA CCN1CCC[C@@H](CN(C)C(O)=Nc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 328619489 FWAJFIJEVKXHKD-QFBILLFUSA-N 370.501 3.074 30 50 FGEA COc1cc(C#N)ccc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328642164 QWWITCUUOSWUCP-FPOVZHCZSA-N 350.466 3.087 30 50 FGEA CCn1c(NC(=O)c2ccc(OC)c(OC)c2)nc2cc(C#N)ccc21 132104432 ADKUPOVECKQBFG-UHFFFAOYSA-N 350.378 3.197 30 50 FGEA C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 246627859 HPMAQRBRLUNPCM-GJYPPUQNSA-N 373.472 3.319 30 50 FGEA N#Cc1cccnc1N1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 299786771 NDEGXFXMHCALOR-UHFFFAOYSA-N 361.449 3.232 30 50 FGEA N#Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccncc3Cl)C2)cc1 826779504 VMPAZLQVKIVRDI-QGZVFWFLSA-N 368.868 3.249 30 50 FGEA COc1cccc(C(=O)N2CCCN(Cc3cccc(C#N)c3)CC2)c1F 1772808861 CZIUOEDOPHTCIQ-UHFFFAOYSA-N 367.424 3.054 30 50 FGEA C#CCCC1(CCNC(=O)c2cnn(-c3ccc(OC)cc3)c2CC)N=N1 2325891156 UIPHNLHJUDLNCJ-UHFFFAOYSA-N 365.437 3.139 30 50 FGEA N#Cc1cccc(CNC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1 877074921 GFLZMAYUWNTCOG-HNNXBMFYSA-N 355.747 3.146 30 50 FGEA COc1ccc(/C(=N\O)c2nccc3cc(OC)c(OC)cc23)cc1OC 18203889 MWEXIACDYMVJBD-ZBJSNUHESA-N 368.389 3.496 30 50 FGEA C=C(C)Cn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCCC3 236979 HXHJTKDFSQULCS-UHFFFAOYSA-N 350.465 3.090 30 50 FGEA CCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 4945343 XJOIFOWRFRAHGS-GOSISDBHSA-N 371.433 3.235 30 50 FGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2ccc(Cl)cc2F)C1 328651407 VWKNPGDQGZAPHL-UHFFFAOYSA-N 354.809 3.111 30 50 FGEA Cc1n[nH]c(C)c1-c1cc(-c2cccn2-c2ccncc2)c(C#N)c(N)n1 71749545 PERZMKVDIZTUEW-UHFFFAOYSA-N 355.405 3.395 30 50 FGEA CC[C@@H](NC(=O)c1cccc(-c2ccc(C#N)c(Cl)c2)c1)C(=O)N(C)C 426674402 WIAMHGNMKQPQAP-GOSISDBHSA-N 369.852 3.475 30 50 FGEA C#Cc1cccc(N(CC)S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 170640749 CYQMCUPZJLCPKV-UHFFFAOYSA-N 369.421 3.208 30 50 FGEA COc1ccccc1N1CCN(/N=C/C=C\c2ccccc2[N+](=O)[O-])CC1 13382284 HYPBSHMDVBZDKD-MMVUNSMLSA-N 366.421 3.425 30 50 FGEA CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1168053 FKTACDDLBKNQJK-GOSISDBHSA-N 366.373 3.122 30 50 FGEA CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1 328591424 NQRMWGPDIQEXBT-FXABVQRQSA-N 374.506 3.270 30 50 FGEA C[C@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)N1CCOCC1 170623768 AESBZAXYQPMYMX-OAHLLOKOSA-N 362.433 3.499 30 50 FGEA COc1ccc(C(=O)N2CCCN(Cc3ccccc3C#N)CC2)cc1F 1772814974 XABFVEVELSBPKJ-UHFFFAOYSA-N 367.424 3.054 30 50 FGEA CC#CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 11842285 CGHBPLWJZVSHSL-HXUWFJFHSA-N 362.429 3.315 30 50 FGEA CCc1nnc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)s1 1216162 MSZZZVQEAKRCDW-UHFFFAOYSA-N 373.507 3.367 30 50 FGEA Cc1ccc(S(=O)(=O)c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)cc1 1857800670 IGDCFMKFEGUVDT-UHFFFAOYSA-N 369.358 3.263 30 50 FGEA C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 2994836 XWCQULHXRBRXRI-QINSGFPZSA-N 366.348 3.057 30 50 FGEA CCCCCC(=O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 34291617 QPXXPLNAYDQELM-MUGWCPBFSA-N 354.487 3.475 30 50 FGEA in-vitro CCO/C(S)=N\C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 18096618 XQSJARGQOWESTP-UHFFFAOYSA-N 362.476 3.453 30 50 FGEA Cc1c(C#N)c(N2CCCN(C(=O)c3ccco3)CC2)nc2ccccc12 1857667639 IWJLGTLXYZMZCS-UHFFFAOYSA-N 360.417 3.360 30 50 FGEA CC1(C)OB(c2ccc(NC(=O)NCc3ccccc3)c(F)c2)OC1(C)C 405092551 VAUYKXOHVOSBPJ-UHFFFAOYSA-N 370.233 3.447 30 50 FGEA C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccccc1 2486149 GUYZIOBAIWZKLR-ZBFHGGJFSA-N 356.447 3.455 30 50 FGEA CC1(C)OB(c2c(C(F)(F)F)nc3ccc(F)cc3c2O)OC1(C)C 170004739 OCSKIPWHVGTGKR-UHFFFAOYSA-N 357.112 3.398 30 50 FGEA C=CC(=O)N1Cc2ccccc2C[C@@H]1/C(O)=N/CCc1ccc(F)cc1 328600544 YMAYNRKOLQYJKD-LJQANCHMSA-N 352.409 3.464 30 50 FGEA O/C(=N/[C@H]1[C@@H]2c3ccccc3CC[C@H]21)N1CCOc2cc(O)ccc2C1 329256850 BSHUYFPBOAQCHF-MISYRCLQSA-N 350.418 3.229 30 50 FGEA Cc1ccc2cc(CN3CCN(c4ccccc4C#N)CC3)c(=O)[nH]c2c1 67714283 VNJUFXVZTTVVGQ-UHFFFAOYSA-N 358.445 3.030 30 50 FGEA O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccccc1)c1cccs1 13551706 UITRBHYSXMGGNJ-ZDUSSCGKSA-N 369.427 3.383 30 50 FGEA N#Cc1cccc(-c2nccn2CC(=O)Nc2ccc(F)c(F)c2F)c1 77421880 QYRDGXKPTYZGPJ-UHFFFAOYSA-N 356.307 3.478 30 50 FGEA NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2ccc3ccccc3c2)C1=O 100512808 LKQJTBWZBKRRMT-PTGBLXJZSA-N 373.441 3.098 30 50 FGEA C=C/C(O)=N/[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 328599749 TWAZFKYSBXDOKC-KRWDZBQOSA-N 358.463 3.466 30 50 FGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1F 25694866 XLEMIUQJAQBDJY-KRWDZBQOSA-N 358.413 3.388 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)s1 65396948 OWROGYRXWBLERQ-VQTJNVASSA-N 373.493 3.360 30 50 FGEA C=CCOc1cccc(NC(=O)N2CCN(C3CCCCC3)C(=O)C2)c1 299768276 SHILURADGGJQCZ-UHFFFAOYSA-N 357.454 3.260 30 50 FGEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](OCc3ccccn3)C2)s1 1506398158 LYDDQHCXZLNDHW-SFHVURJKSA-N 370.518 3.447 30 50 FGEA CCn1cc(C2CCN(/C(O)=N/[C@@H]3COc4c(C)cccc4C3)CC2)cn1 329731581 IHQWUMZZEKYFBB-IBGZPJMESA-N 368.481 3.309 30 50 FGEA N#Cc1cc(F)cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)c1 952980494 KANYZXORSKDOBM-FQEVSTJZSA-N 368.408 3.398 30 50 FGEA COc1cc(/C(C)=N/N2CCN(Cc3ccc(C)cc3)CC2)ccc1O 19593985 OSZUUEALDYTAHJ-OQKWZONESA-N 353.466 3.251 30 50 FGEA