smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[n+]3c2CCCCC3)cc1 637251 SDZIEGXLEWGDPN-UHFFFAOYSA-N 367.900 5.210 0 50 FKAA CCOc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 640785 ILSVNNIZAICKAA-UHFFFAOYSA-N 374.651 5.063 0 50 FKAA Fc1ccc(-c2csc(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 707619 IGWXJBJTHKSNJV-UHFFFAOYSA-N 356.422 5.879 0 50 FKAA CN(C)c1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1895833 WBEJUVBLXGSISA-UHFFFAOYSA-N 364.301 5.927 0 50 FKAA COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(C)C)cc1 2862009 QXIYKDHLSANXBI-UHFFFAOYSA-N 362.267 5.142 0 50 FKAA CC[C@H]1CCCCN1C(=O)Oc1c(Cl)cc(Cl)c2cccnc12 4580512 JISGYVJAGUQLFI-NSHDSACASA-N 353.249 5.305 0 50 FKAA Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1 5235436 FEMZAURGBRDXAR-GOSISDBHSA-N 356.828 5.293 0 50 FKAA CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O 8773249 SEEZIOZEUUMJME-FOWTUZBSSA-N 360.494 5.764 0 50 FKAA in-vitro O=C(c1cccs1)N(Cc1ccc(OC[C@@H]2CC=CCC2)cc1)C1CC1 15000138 KGLIVSUEQDFPCN-GOSISDBHSA-N 367.514 5.288 0 50 FKAA CCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 45789210 PALJPGHWDUHUPO-UHFFFAOYSA-N 355.481 6.606 0 50 FKAA in-vitro Cc1coc(-c2ccccc2)c1C(=O)Nc1sc(-c2ccccc2)nc1C 2325862499 WKFDZURAYZGOPH-UHFFFAOYSA-N 374.465 5.939 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 672003 BMLSQFVWOWLKAW-UHFFFAOYSA-N 369.424 5.646 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(F)cc1 830073 UGRHBDATNXTDIX-UHFFFAOYSA-N 364.401 5.060 0 50 FKAA Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 1045074 JDEUEYSEJIGMIY-OAQYLSRUSA-N 367.901 6.029 0 50 FKAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1 1144165 NGHQQQXTCGHPPF-UHFFFAOYSA-N 359.469 5.388 0 50 FKAA O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 1392777 ZVDNOMQFACVXIH-UHFFFAOYSA-N 365.241 5.018 0 50 FKAA COc1cccc2c1O[C@H](c1ccc(C)cc1)N1N=C(c3ccccc3)C[C@@H]21 4281950 QYKNDUBYLRKELT-XUZZJYLKSA-N 370.452 5.246 0 50 FKAA Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3cccc(C)c3n2)cc1C 6789512 LSUBFRYGXDHKAK-UHFFFAOYSA-N 370.452 5.350 0 50 FKAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@@H](C)C[C@@H](C)C1 18080489 QCNFTRLIHFZUGX-PHIMTYICSA-N 367.276 5.075 0 50 FKAA Brc1cc2sc3cc(Br)sc3c2s1 30678516 UTKPZZGBROTDKR-UHFFFAOYSA-N 354.113 5.703 0 50 FKAA in-vitro C[C@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)[C@@H]1O 245312896 YOCSCRSTBWZYLM-AGOZMRBZSA-N 350.289 5.012 0 50 FKAA C[C@@H](NC(=O)Cc1ccc2oc3ccccc3c2c1)c1ccc(Cl)cn1 2325860986 BFILDMZXUQOJDO-CYBMUJFWSA-N 364.832 5.054 0 50 FKAA C[C@@H]1CC[C@H](NC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c2ccccc21 2325866219 DNPDRDJLVLBLEJ-OQBJRAFVSA-N 368.908 5.524 0 50 FKAA O=C(Nc1nc2c(s1)CCCC2)c1ccccc1Oc1ccccc1 1116534 MVSFGGBGSLHWQF-UHFFFAOYSA-N 350.443 5.067 0 50 FKAA O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1C1CCCC1 1127412 GIYHKPRTUPRRHY-UHFFFAOYSA-N 372.440 5.082 0 50 FKAA aggregator Clc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)c(Cl)c1 2274184 GJKSDXQESJXJAL-UHFFFAOYSA-N 367.235 6.377 0 50 FKAA CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)s1 2741097 WDQHCKCZHNTKKF-UHFFFAOYSA-N 351.397 5.155 0 50 FKAA COC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 3069989 XNMDFYIYWPBMLP-UHFFFAOYSA-N 364.253 5.571 0 50 FKAA COc1ccc(-c2nc(CN(C)[C@@H]3CCCc4ccccc43)c(C)o2)cc1 11818065 VOPXOBCKUKARBL-JOCHJYFZSA-N 362.473 5.168 0 50 FKAA CC[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 13328958 LRKYQRZFHUIVPF-AWEZNQCLSA-N 357.668 5.920 0 50 FKAA O=C(CSc1ccccn1)N1c2ccccc2Sc2ccccc21 847418 YZZJYRPTLLXYLC-UHFFFAOYSA-N 350.468 5.003 0 50 FKAA Cn1c(SCc2cccc(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 1141234 FKGYGCDPLKVYLN-UHFFFAOYSA-N 355.482 5.211 0 50 FKAA O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 1179227 DYUCXTURGVCHLK-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA CSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 1894047 YWJCLQYAKJKNTD-UHFFFAOYSA-N 366.530 5.115 0 50 FKAA biogenic CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1OCC 2877476 OMKCCAYQTVSJJQ-UHFFFAOYSA-N 361.869 5.478 0 50 FKAA O=C1C[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc3ccccc3c2N1 3900943 ZSWQLYCNZDNMDR-QGZVFWFLSA-N 357.331 5.213 0 50 FKAA CC(C)(C)C1CCC(O[C@]2(c3ccccc3)OC(=O)c3ccccc32)CC1 4646430 KURSCXGDSWIAPQ-VWLBVBLESA-N 364.485 5.680 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)/C=C\c4ccccc4)cc3)nc2c1 15659776 ACBDYSAHXYCNCZ-ZSOIEALJSA-N 354.409 5.455 0 50 FKAA Cc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 43022874 AYIZGBFHHRJIMT-QGZVFWFLSA-N 367.443 5.043 0 50 FKAA Clc1ccc([C@H]2CN(Cc3cccc4ncccc34)CCO2)cc1Cl 71745632 UOXMZYHARNBVFW-HXUWFJFHSA-N 373.283 5.115 0 50 FKAA CCCCCC[C@@H](C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169818745 MKPYVFPESLINBV-HSZRJFAPSA-N 372.628 5.517 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 248296388 XIIAYQZJNBULGD-LXMOQIIQSA-N 372.681 8.498 0 50 FKAA in-vitro Cc1ccccc1[C@H]1CC(=O)c2c(nc3oc(-c4ccccc4)cc3c2N)C1 253495878 UHLJZEWDESJQQS-MRXNPFEDSA-N 368.436 5.298 0 50 FKAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](N)(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 263621519 KAASKSVTHCKDCH-SWSDPNMTSA-N 373.518 6.008 0 50 FKAA O=C1CC[C@@H](c2ccccc2)CCN1Cc1cc(C2CCCCC2)no1 2356162741 QMUDTXKTRBCEDV-GOSISDBHSA-N 352.478 5.019 0 50 FKAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)c(F)c1 755005 LVKKAZRBTNJVED-UHFFFAOYSA-N 366.392 5.494 0 50 FKAA CC(C)Oc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 951042 JREGRTJSDPUDDK-UHFFFAOYSA-N 361.441 5.158 0 50 FKAA C[C@H](C(=O)Nc1ccc(Br)c2ccccc12)c1ccccc1 1139163 YKLUTUDQXJUJHP-ZDUSSCGKSA-N 354.247 5.345 0 50 FKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1219798 DSBPOOKKBMBWOR-SNVBAGLBSA-N 359.800 5.478 0 50 FKAA Cc1ccccc1-n1cnc2cc(Nc3nnc(C)c4ccccc34)ccc21 1241150 TWWBXXNDEPLMBP-UHFFFAOYSA-N 365.440 5.329 0 50 FKAA CCSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(CC)s1 2854951 DJTPJDPKWFUDOY-UHFFFAOYSA-N 368.527 5.737 0 50 FKAA CC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 2856708 TUZQHHZNYZIMKT-CQSZACIVSA-N 354.519 5.234 0 50 FKAA Cc1ccccc1OC[C@H](C)NCCC(c1ccccc1)c1ccccc1 4072755 PQIYFMIDQZOKDL-NRFANRHFSA-N 359.513 5.574 0 50 FKAA CC(=O)Nc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1 4747570 MFIIXFKHYLDAEC-FQEVSTJZSA-N 361.470 5.062 0 50 FKAA COc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1OC(C)C 4913829 VRBYHWFDTVRBOV-LJQANCHMSA-N 361.441 5.110 0 50 FKAA CCn1c2ccccc2c2cc(CNCc3cc(OC)cc(OC)c3)ccc21 4982103 FKZDJYMHNCLRGU-UHFFFAOYSA-N 374.484 5.121 0 50 FKAA OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5226822 BPFKTJMHOWDJKI-UHFFFAOYSA-N 363.671 5.931 0 50 FKAA in-vitro Cc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)cc3)c2C)cc1 13960584 CWJSPSBLJPFRNQ-UHFFFAOYSA-N 372.899 6.785 0 50 FKAA Cc1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)s1 14974453 RVYHSEAQLOZMCE-INIZCTEOSA-N 361.514 5.555 0 50 FKAA CCC(=O)c1ccc(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)s1 96131432 VUXSSLVNPKPVHK-UHFFFAOYSA-N 373.518 5.275 0 50 FKAA Cc1nc(NC(=O)c2cc(-c3ccccc3)[nH]n2)cc(-c2ccccc2)c1C 1857717974 ISUITEVMNKOQML-UHFFFAOYSA-N 368.440 5.008 0 50 FKAA CCc1cc2c(=O)c(-c3csc(-c4ccccc4)n3)coc2cc1OC 630438 TWRBFHQTZODQNA-UHFFFAOYSA-N 363.438 5.155 0 50 FKAA biogenic Cc1c(O)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc12 754578 RRYYPXXWOOUEMM-UHFFFAOYSA-N 370.710 5.272 0 50 FKAA O=C(Nc1ccccc1)c1sc(-c2cccnc2)nc1-c1ccccc1 944650 ARUCEDWVTGXZGW-UHFFFAOYSA-N 357.438 5.124 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccc(Cl)cc1 1076184 HMDPPECEVFCCLO-UHFFFAOYSA-N 358.228 5.384 0 50 FKAA COc1ccc(CNc2ccc3c(c2)oc2ccccc23)c(OC)c1OC 4622020 GPTKVGVTJPVNIF-UHFFFAOYSA-N 363.413 5.224 0 50 FKAA Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c(C)c1 6271755 UNZABWFVULZZMA-LADGPHEKSA-N 372.443 5.685 0 50 FKAA Cc1ccccc1[C@H]1CCCN(C(=O)c2ccc3oc(C(C)C)nc3c2)C1 12595297 ORSIAWPECIZKET-SFHVURJKSA-N 362.473 5.279 0 50 FKAA CCOC(=O)c1ccc2nc(C)cc(Nc3cc(Cl)ccc3OC)c2c1 952825 IXPCFQBQYIMWPM-UHFFFAOYSA-N 370.836 5.126 0 50 FKAA COc1ccc(CNc2ccc(F)c(F)c2)cc1OCc1ccccc1 1229315 UULKYMMWPITMGY-UHFFFAOYSA-N 355.384 5.165 0 50 FKAA c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1 1580741 IVVYVRLKDGGUEL-UHFFFAOYSA-N 374.443 6.738 0 50 FKAA Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCc1ccccc1 2816398 TZMBEIZTFFHEHF-LJQANCHMSA-N 369.306 5.140 0 50 FKAA O=C(OCc1c(F)cccc1Cl)C(c1ccccc1)c1ccccc1 2850706 UFQCYLJTZLBFQE-UHFFFAOYSA-N 354.808 5.354 0 50 FKAA Cc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 3086066 WUNZGJKOAVNDQR-UHFFFAOYSA-N 350.849 5.560 0 50 FKAA Clc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1 4632385 SLKBPDOADJLOID-UHFFFAOYSA-N 359.820 5.275 0 50 FKAA Cc1ccc(-c2cc3c4c(C)n(Cc5ccccc5)c(C)c4c(C)nn3c2)o1 4751642 XZWDMFCNYSNEPO-UHFFFAOYSA-N 369.468 5.831 0 50 FKAA COc1ccc(Br)cc1/C=C/c1ccc2cccc(OC)c2n1 5013644 BLVVBPDLPDQVIO-JXMROGBWSA-N 370.246 5.185 0 50 FKAA C=C[C@H]([C@@H](Nc1ccccc1)c1ccc(Cl)cc1)n1nnc2ccccc21 5631395 YJWSYUOBCKPSBI-IRLDBZIGSA-N 374.875 5.665 0 50 FKAA Clc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccccc3)C2)cc1 20537617 XYPNIXVKBMQIAW-SFHVURJKSA-N 351.881 5.110 0 50 FKAA Fc1ccc([C@H]2CCCCN2c2nc3cc(F)c(F)cc3s2)c(F)c1 1875307698 RYCKEOXOGNLYPW-MRXNPFEDSA-N 366.383 5.584 0 50 FKAA O=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 1174032 VDBGFWBGBDZNIM-UHFFFAOYSA-N 350.028 5.692 0 50 FKAA COc1ccc(-n2c(-c3ccc(F)cc3)nc(=S)c3c2CCCC3)cc1 1187321 BLQIXVDUZXBTES-UHFFFAOYSA-N 366.461 5.295 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cs1)C1=C(Cl)[C@H]2C=CC=C[C@@H]2S1 1213886 IZAQKOAALSBBIY-JSGCOSHPSA-N 372.902 5.057 0 50 FKAA Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3ccc(Cl)cc3)c2c1 2079363 SLTKQJMPVVNNHN-UHFFFAOYSA-N 373.839 6.083 0 50 FKAA Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 2145518 OGGXHGKNYGOZQJ-UHFFFAOYSA-N 374.509 5.406 0 50 FKAA aggregator COc1ccc(/C=C/c2nc3scc(-c4cccs4)c3c(=O)o2)cc1 4569100 UCWPKLWHYGSUPE-RMKNXTFCSA-N 367.451 5.157 0 50 FKAA C(CCCCC1SCCCS1)CCCC1SCCCS1 4789725 QSVFVFXGAXUSNY-UHFFFAOYSA-N 350.684 6.500 0 50 FKAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3[C@@H](C)CCC[C@H]3C)c2c1 17074150 MCUPYBVLYFAJMI-CALCHBBNSA-N 359.473 5.008 0 50 FKAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1Cl 606241683 VZUMDRBBCKIYAA-UHFFFAOYSA-N 362.253 5.670 0 50 FKAA O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)N[C@H]1C[C@H](c2ccccc2)C1 2325866183 CPDUCSYKFBUSJX-QIJZPMMNSA-N 368.908 5.222 0 50 FKAA CCCCP(C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 2332241355 HTJWUNNIRKDDIV-CERNMVKCSA-N 358.550 7.206 0 50 FKAA O=C(NCCC1=CCCCC1)[C@@H](Sc1ccccc1)c1ccccc1 656265 MKYSRUMSUGBPHF-NRFANRHFSA-N 351.515 5.527 0 50 FKAA O=C1C[C@H](c2cccc(Br)c2)c2ccc3ccccc3c2N1 727564 NITRHOSZVLWRHB-QGZVFWFLSA-N 352.231 5.076 0 50 FKAA Cc1ccc([C@@]2(CCNCc3ccccc3)CCO[C@@H](C(C)C)C2)cc1 2238573 PGPBHEFCMXSXDQ-RPWUZVMVSA-N 351.534 5.248 0 50 FKAA CC(=O)N(CCCN(C)C)[C@H](C)c1cc(C(C)(C)C)cc2c1CCC2(C)C 2369158 XCOZBPNEDRFXGI-QGZVFWFLSA-N 372.597 5.069 0 50 FKAA Clc1ccc(OCc2ccccc2Cl)c(CNC2CCCCC2)c1 2836932 YNDBNPHEUQTQHZ-UHFFFAOYSA-N 364.316 5.995 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 2864426 QRXQUBFYSADFTD-UHFFFAOYSA-N 367.901 6.193 0 50 FKAA Cc1cccc(CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2C)c1 13325424 KXXNUVIPGGZDKM-UHFFFAOYSA-N 364.301 5.390 0 50 FKAA Cc1c(Cl)cccc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 20071883 PLYWHKZMDNKJHW-MRXNPFEDSA-N 354.664 5.103 0 50 FKAA C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257350604 YRMMDRYFJOUBOL-SEXZEVIRSA-N 360.582 5.335 0 50 FKAA C[C@H](NC(=O)c1cc2ccncc2cc1F)c1cccc(Cl)c1Cl 1875359011 QRMWPMCSRFUGEI-JTQLQIEISA-N 363.219 5.172 0 50 FKAA CCc1ccc(-n2nc(-c3ccoc3)nc2[C@@H](CC)OC2CCCC2)cc1 2325826863 OVILSXJRKMAQGB-HXUWFJFHSA-N 365.477 5.500 0 50 FKAA O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccc2ccccc12 701858 JBSNIHXUKWSLNI-XMMPIXPASA-N 366.416 5.621 0 50 FKAA O=C(Nc1cccc2c(-c3ccccc3)ccnc12)C(F)(F)C(F)(F)F 2831449 OAIKQTKJMVDQFX-UHFFFAOYSA-N 366.289 5.038 0 50 FKAA biogenic Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1)O2 4309652 GIZWTAHQOFLVSD-UNMCSNQZSA-N 360.844 5.582 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O 4467867 YLEARPUNMCCKMP-DOFZRALJSA-N 361.526 5.333 0 50 FKAA endogenous,in-man C[C@H]1C[C@@H](OC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C 4654024 GRQROJVOZIQILL-DYEKYZERSA-N 372.292 5.080 0 50 FKAA O[C@H](c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 4797781 MMSXADIHFXZOHH-CYBMUJFWSA-N 354.677 5.459 0 50 FKAA CC(C)(C)C1CCC(OC(=O)CCCC(=O)Oc2ccccc2F)CC1 4956618 QNOCRVOAUWZSEE-UHFFFAOYSA-N 364.457 5.050 0 50 FKAA Cc1ccc(CSc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 5563196 GBHRHFWTGLRYCB-UHFFFAOYSA-N 359.498 5.614 0 50 FKAA CC[C@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3F)cc2C1 6489691 AJGVXMSKCCKNOF-JTQLQIEISA-N 371.399 5.673 0 50 FKAA O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)C1CCCCC1 6700629 NXLCSRIWPCGVLD-UHFFFAOYSA-N 362.498 5.996 0 50 FKAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)c(Cl)c1 13957961 XEACLRPNEZSDQC-UHFFFAOYSA-N 367.663 5.101 0 50 FKAA CC(C)OP(=O)(OC(C)C)[C@H](C)Nc1ccc(Cl)c(Cl)c1 22014814 XTEHMGWZWFFNDA-LLVKDONJSA-N 354.214 5.794 0 50 FKAA Clc1ccc([C@@H]2CN(c3ccc4cc(Cl)ccc4n3)CCO2)cc1 71755409 OKNGOKRLUWYPFD-SFHVURJKSA-N 359.256 5.120 0 50 FKAA O=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 170618294 QPUGVYWLORZWQJ-KRWDZBQOSA-N 372.902 5.455 0 50 FKAA COc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)o2)cc1 716258 AVQXFIAZFABSBL-UHFFFAOYSA-N 367.257 5.344 0 50 FKAA COc1ccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc1 945049 RVPVDVMMDXTFAC-UHFFFAOYSA-N 374.392 5.173 0 50 FKAA biogenic O=C(c1ccccc1F)n1c(SCc2ccccc2)nc2ccccc21 1089493 INEQNJNHOLULCQ-UHFFFAOYSA-N 362.429 5.156 0 50 FKAA C[P@@](=O)(Nc1ccc(Br)cc1)Oc1ccc(Cl)cc1 1232646 MCELVCPTJURDOO-IBGZPJMESA-N 360.575 5.416 0 50 FKAA CC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1 1588900 NYDCDZSEEAUOHN-IZHYLOQSSA-N 357.497 5.654 0 50 FKAA endogenous,world Cc1cc(C)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1 2779982 IBTJSUSDPKQUNS-UHFFFAOYSA-N 366.288 5.716 0 50 FKAA Cc1c(Cl)cccc1NCCC(=O)c1ccc(Br)cc1 2870177 CKOHJPVFWZWFCJ-UHFFFAOYSA-N 352.659 5.096 0 50 FKAA CCOc1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 2992920 OZTSLQLAZRKNRA-HEHNFIMWSA-N 373.452 5.273 0 50 FKAA CCOc1ccc(NC(=O)CCc2ccc(-c3cccc(Cl)c3)o2)cc1 4541864 GBTWKKOSEVSMKB-UHFFFAOYSA-N 369.848 5.570 0 50 FKAA CCc1cccc2c(C(C)=O)cn(Cc3ccc(Br)cc3)c12 4759502 GJEAEQUANXSWND-UHFFFAOYSA-N 356.263 5.217 0 50 FKAA CCc1ccc([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13320531 ZMBOWISFTDGJTN-LLVKDONJSA-N 370.802 5.804 0 50 FKAA Cc1ccc(-c2nc(CN3CC[C@H](c4ccccc4F)C3)c(C)o2)s1 19225340 YSUWCLJCQJFTHX-HNNXBMFYSA-N 356.466 5.149 0 50 FKAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C(C)C)cc3)nc21 20615643 GKRSXXNBNYXNQP-UHFFFAOYSA-N 361.411 5.959 0 50 FKAA CCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21 39008665 PGOAKRPGOLHODL-UHFFFAOYSA-N 357.453 5.834 0 50 FKAA in-vitro Cc1c(-c2c(-c3ccccc3)ncn2[C@H]2CCCOC2)[nH]c2ccccc12 67803235 PQOFNFYYCVOINS-SFHVURJKSA-N 357.457 5.358 0 50 FKAA C[C@](O)(c1cc(Cl)ccc1Cl)[C@H](c1ccccc1)c1ccccn1 71767139 UEBGQGFRGHQTJI-UXHICEINSA-N 358.268 5.428 0 50 FKAA Clc1ccc2[nH]c(-c3nc([C@H]4CCOC4)no3)c(-c3ccccc3)c2c1 96132040 MQXVHYLJYUQLOM-ZDUSSCGKSA-N 365.820 5.042 0 50 FKAA COC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl 97757264 UYSZDWAZLHKEOO-UHFFFAOYSA-N 352.817 5.373 0 50 FKAA O=C(Nc1nccs1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 170625064 AOHKYTQYVZEDKR-UHFFFAOYSA-N 369.412 5.139 0 50 FKAA COc1ccc(Cl)c(NC(=O)c2cccc(-c3csc(C)n3)c2)c1 173836461 CTMORODTGKFRHI-UHFFFAOYSA-N 358.850 5.033 0 50 FKAA CCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 245189212 ATZOGSYGFMORGR-IYARVYRRSA-N 352.474 5.988 0 50 FKAA C[C@@H]1SCCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H]1c1ccccc1 1875346541 GZCLMNUWCDTXLO-YVEFUNNKSA-N 366.313 5.312 0 50 FKAA Fc1cccc(-c2ccc(Nc3cccc(C(F)(F)F)n3)nc2)c1F 2356149221 PNVNFHVRYPYKCW-UHFFFAOYSA-N 351.278 5.184 0 50 FKAA CCN(CC)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 724603 VJPWYGBXCNVCKF-UHFFFAOYSA-N 374.484 5.364 0 50 FKAA COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1 2846240 FWSSYVLPSPYEJD-KRWDZBQOSA-N 365.448 5.264 0 50 FKAA Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 4748534 QZHYYAXVPJEMJL-FOCLMDBBSA-N 366.464 5.118 0 50 FKAA CCC(=O)Oc1cccc2ccc(/C=C/c3cc(Cl)ccc3OC)nc12 5013497 OUCOEAODDFFMOY-DHZHZOJOSA-N 367.832 5.383 0 50 FKAA Cc1ccc(Sc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)o2)cc1 22238513 LHLIRGPGQFVKFG-AQTBWJFISA-N 361.422 5.084 0 50 FKAA CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1 201261227 STBAOIZEBPGWRS-QGZVFWFLSA-N 371.435 7.092 0 50 FKAA Cc1cc2c(cc1C)N(C(=O)C1CC1)C(C)(C)c1ssc(=S)c1-2 1190073 QAJJIOWMMJABFO-UHFFFAOYSA-N 361.557 5.815 0 50 FKAA CC[n+]1c(C)n(-c2ccccc2)c2ccc([C@@H]3Nc4ccccc4S3)cc21 4713933 APLMMTJFHJNRJJ-HSZRJFAPSA-N 372.517 5.463 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H]1c1cccs1 14242015 YNJMVDOECGRJNY-HNNXBMFYSA-N 372.877 5.342 0 50 FKAA Cc1nccn1CCn1cnc(-c2ccccc2)c1-c1cc2ccccc2o1 65403297 XVKCILKOMCSUMK-UHFFFAOYSA-N 368.440 5.168 0 50 FKAA CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 205065064 VHQAJFNLPQULSV-UHFFFAOYSA-N 352.478 5.220 0 50 FKAA O=C(Nc1cc(Cc2ccccc2)[nH]n1)c1ccc(Oc2ccccc2)cc1 1875336580 HORXEEQJXXLJMK-UHFFFAOYSA-N 369.424 5.045 0 50 FKAA Cc1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1 632036 MKOUIFABTMMXAX-UHFFFAOYSA-N 357.482 5.229 0 50 FKAA aggregator CC(C)C(=O)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 719530 AUDVQGRPHFNHPK-UHFFFAOYSA-N 374.392 5.300 0 50 FKAA biogenic,in-vitro Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)cc1 817475 BTHMDTGEHNLLBM-UHFFFAOYSA-N 372.424 5.378 0 50 FKAA CCc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 997510 FGESFAACJRQYMF-UHFFFAOYSA-N 358.466 5.778 0 50 FKAA Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1)C[C@@H]2c1ccccc1 1069401 FZQJFTWLWOJSGF-HSZRJFAPSA-N 363.464 5.972 0 50 FKAA COc1ccc(-c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)cc1 1230172 VRMKKRLRRBKQLP-UHFFFAOYSA-N 367.452 5.431 0 50 FKAA CCCCOc1ccc(NC(=O)/C=C/c2ccc(OCCC)cc2)cc1 1777941 XUGFZVVZMKTZJH-OVCLIPMQSA-N 353.462 5.306 0 50 FKAA Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cs1 2199753 WZHQVAJPIQQTNW-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1cc(C)ccc1C 4809933 UKFYCVVFOGFBMP-RPWUZVMVSA-N 373.496 5.367 0 50 FKAA CN(C)c1ccc(-c2cc(-c3cccs3)[o+]c(-c3cccs3)c2)cc1 5569770 WLKNSXUYAQDNCN-UHFFFAOYSA-N 364.515 6.751 0 50 FKAA COc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1C 12438137 LHTOICBMADUGTP-UHFFFAOYSA-N 358.850 5.033 0 50 FKAA O=C(Nc1cccnc1-c1ccccc1)c1csc(C2CCCCC2)c1 2325840904 WWGRUKXTLBRFEQ-UHFFFAOYSA-N 362.498 6.110 0 50 FKAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Nc2ccccc2)cc1 1117191 GCKCUGQOVUWLSX-HNNXBMFYSA-N 366.848 5.490 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(C)c4)c3)nc2c1 1208022 GJNSGZQQMCZDPK-UHFFFAOYSA-N 356.425 5.618 0 50 FKAA CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 1454835 SGOGXUPPBZIADN-UHFFFAOYSA-N 369.804 5.029 0 50 FKAA COc1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1 1808632 KFCFHDNTCMTZPV-UHFFFAOYSA-N 361.832 5.702 0 50 FKAA CCCCC(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 2972192 AQPNHBOKFJHLQB-UHFFFAOYSA-N 373.250 5.386 0 50 FKAA C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2981942 FKYRHUYILIYRIQ-SNVBAGLBSA-N 359.800 5.478 0 50 FKAA C[C@@H](CCc1ccccc1)NC(=O)N1c2ccccc2Sc2ccccc21 4807761 WRJZVWGMSCSBDJ-KRWDZBQOSA-N 374.509 6.020 0 50 FKAA C[C@@H]1CCO[P@](=O)([C@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)O1 4947642 HYYAJLCSNVTTHM-LXIJGPRFSA-N 367.769 5.175 0 50 FKAA CCC(=O)N(Cc1ccc(OC)c(OCc2cccs2)c1)C1CCCC1 20256850 SUSQCBWFINVOIX-UHFFFAOYSA-N 373.518 5.017 0 50 FKAA Cc1ccc(-c2cs/c(=N/C(=O)c3ccccc3)n2-c2ccccc2)cc1 100053036 RORDBFOLTVYJLZ-WCWDXBQESA-N 370.477 5.255 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253537630 XIIAYQZJNBULGD-WRLGOBHPSA-N 372.681 8.498 0 50 FKAA in-vitro CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 253612225 CRRKVZVYZQXICQ-LSUCQCDESA-N 358.522 5.086 0 50 FKAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 1775953545 CRRKVZVYZQXICQ-QDOIWCEOSA-N 358.522 5.086 0 50 FKAA Cc1nnc2c(Oc3ccc(-c4ccccc4)cc3)nc3ccccc3n12 987097 YFNPCMXGQQFGGW-UHFFFAOYSA-N 352.397 5.045 0 50 FKAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C)c2)cc1 1142615 JKPYIENRGDAEGV-UHFFFAOYSA-N 367.452 5.408 0 50 FKAA CC(=O)[C@@H](C(=O)c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(C)cc21 1178497 WJCDXMWCRHFOGU-DHIUTWEWSA-N 356.421 5.321 0 50 FKAA C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1204395 LZCAGZSFFJMYCM-KRWDZBQOSA-N 363.482 5.739 0 50 FKAA O=C(COc1ccccc1Cl)Nc1ccccc1Sc1ccccc1 2848542 BMHPPVWIQRWIOL-UHFFFAOYSA-N 369.873 5.509 0 50 FKAA O=c1c(Oc2ccc3ccccc3c2)c(C(F)(F)F)oc2cc(O)ccc12 5528495 KZNNWZSDMZYHIH-UHFFFAOYSA-N 372.298 5.463 0 50 FKAA Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)c(C)c1 12112411 YCDBVRAZYLXNPQ-VWNXMTODSA-N 354.453 5.546 0 50 FKAA Cc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13329891 XQTCQCLFOIJHSO-SNVBAGLBSA-N 357.668 5.838 0 50 FKAA C[C@@H]1[C@@H]2C3=CC[C@H]4[C@](C)(CC[C@H]5CCC[C@]54C)[C@]3(C)CC[C@]2(C)CC[C@H]1C 257349793 RDZDBMLXWHANKR-YULDWDCSSA-N 368.649 8.028 0 50 FKAA C[C@H]1CC[C@@H](NC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c2ccccc21 2325866220 DNPDRDJLVLBLEJ-YZZRYBLGSA-N 368.908 5.524 0 50 FKAA COc1ccc([C@H](CC(=O)C(C)(C)C)[C@H]2CCc3ccccc3C2=O)cc1 641874 ZZYKBSGXGACMPA-RTWAWAEBSA-N 364.485 5.229 0 50 FKAA CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 943443 FAHAMEFDGAOBQJ-VGOFMYFVSA-N 351.446 5.027 0 50 FKAA Cc1cc2nc(SCc3ccc(Br)cc3)nc(C)c2cc1C 986414 GKTFYPCCWHRSED-UHFFFAOYSA-N 373.319 5.610 0 50 FKAA Cc1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Cl 1110167 OIXDPKAAOXQBJM-UHFFFAOYSA-N 370.699 5.142 0 50 FKAA O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Cl)ccc1O 1250296 FUPVNCQJXDYZTF-UHFFFAOYSA-N 374.223 5.744 0 50 FKAA c1ccc(-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1 2173459 SWHBTZNMYNDGCA-UHFFFAOYSA-N 351.474 7.288 0 50 FKAA CCCCC(=O)N(c1ccccc1)c1nc(-c2ccc(C)cc2)c(C)s1 2838841 SQEGIIDDKXVBQV-UHFFFAOYSA-N 364.514 6.282 0 50 FKAA Cc1ccccc1CSCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2979377 WKUKRCXKJMCFHE-UHFFFAOYSA-N 373.827 5.539 0 50 FKAA O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 4795947 DEMVFUMYDFDYNT-UHFFFAOYSA-N 371.072 5.101 0 50 FKAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CC(C)C)cc1 6048146 CSPXHFCMQHBXSF-RBBKRZOGSA-N 350.462 5.001 0 50 FKAA O=C(/C=C/c1cccs1)Nc1ncc(Cc2ccccc2Cl)s1 945446 KRUALCWNAQDJAK-BQYQJAHWSA-N 360.891 5.101 0 50 FKAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@@H]1C[C@@H]1c1ccccc1 995913 KCWMJAKMSZUKOC-WOJBJXKFSA-N 370.477 5.706 0 50 FKAA Nc1ccccc1S[C@@H](CC(=O)c1ccc(F)cc1)c1ccccc1 1094117 GXNWQRSVKCRNPK-NRFANRHFSA-N 351.446 5.514 0 50 FKAA Cc1ccc2nc(NC(=O)c3sc4cc(C)ccc4c3Cl)sc2c1 1114954 BBUWCSAXRBGNAQ-UHFFFAOYSA-N 372.902 6.034 0 50 FKAA COc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3F)o2)cc1Cl 4543230 CJNDFLMYKUIUPY-UHFFFAOYSA-N 363.747 5.139 0 50 FKAA CCn1c2ccccc2c2cc(CN3CCCC[C@@H]3c3cccnc3)ccc21 4982698 ZIXKZAMEUTXGFP-HSZRJFAPSA-N 369.512 5.937 0 50 FKAA CC1(C)[C@@]2(c3ccccc3)[C@H]3CC(Br)=C[C@H]3[C@@]12c1ccccc1 254313001 ZCUSLGXRRGHAJZ-XMGTWHOFSA-N 365.314 5.831 0 50 FKAA CCc1ccnc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)c1 479183219 LLVDUOKVCLWPQY-UHFFFAOYSA-N 365.433 5.136 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)NC1CCCCC1 852648 KWWQJROKPOOZHQ-LAUBAEHRSA-N 363.505 5.481 0 50 FKAA CCOc1ccccc1NC(=O)c1c(N)sc2c1CC[C@H](C(C)(C)C)C2 1151801 VCXINOGBDWDTSB-ZDUSSCGKSA-N 372.534 5.132 0 50 FKAA Cc1ccc(C)c(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 4851702 IHQWGJQOIDLZAT-UHFFFAOYSA-N 369.424 5.273 0 50 FKAA CSc1ccc(-c2nc(CN(C)Cc3sccc3C)c(C)o2)cc1 19838947 KCOBLWYUOCQMOQ-UHFFFAOYSA-N 358.532 5.374 0 50 FKAA COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1 34110887 CBBXAIYXFKPCMD-UHFFFAOYSA-N 365.473 5.075 0 50 FKAA Cc1cccc(C)c1NC(=O)c1cccc(CN(C)[C@H](C)c2ccco2)c1 65525675 SZWHMTQXRBZBNS-GOSISDBHSA-N 362.473 5.342 0 50 FKAA CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(Br)c2)C1 95829955 LJCWTVCXFOSCRP-AWEZNQCLSA-N 371.105 5.333 0 50 FKAA in-vitro CCCCCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C 144712177 RAJVCHGHVRZPIY-UHFFFAOYSA-N 353.344 6.367 0 50 FKAA CC1CCC(N(C)C(=O)c2ccc(NCc3ccco3)cc2Cl)CC1 1875342855 KJRXBEGSWIPKHF-UHFFFAOYSA-N 360.885 5.196 0 50 FKAA Cc1ccccc1[C@H](CC(C)C)NC[C@@H](CO)Cc1ccccc1Cl 2325842253 SFQXKESOTINGDY-AVRDEDQJSA-N 359.941 5.176 0 50 FKAA Cc1nc(Oc2ccc3c(c2)OCO3)c2cc(-c3ccccc3)sc2n1 628258 HBLFCLDAYVDMHL-UHFFFAOYSA-N 362.410 5.188 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1 1051434 LDKBTUAJGOUFRH-UHFFFAOYSA-N 369.436 5.818 0 50 FKAA CCCC(=O)Nc1cc(-c2nc3cc(Cl)cc(Cl)c3o2)ccc1C 1198053 MGTAUOUDYLNZAD-UHFFFAOYSA-N 363.244 5.849 0 50 FKAA COc1ccc(-c2nc3ccccc3n2[C@H](C)c2ccccc2)cc1OC 1434678 BEKNPJBLTBAVEZ-MRXNPFEDSA-N 358.441 5.330 0 50 FKAA C[C@H]1CCc2c(C(=O)Nc3ncc(Cc4ccccc4)s3)csc2C1 2861806 ISKDMWKMUJCXKX-ZDUSSCGKSA-N 368.527 5.173 0 50 FKAA C[C@@H](NCC[C@H](c1ccc(F)cc1)c1ccco1)c1ccc(Cl)cc1 4310962 JNVARXLKKHHXCB-FOIQADDNSA-N 357.856 5.945 0 50 FKAA CCC(=O)N(Cc1ccc(OCCc2ccccc2F)cc1)C1CCCC1 15069171 NJJGLPFFHYTRRA-UHFFFAOYSA-N 369.480 5.128 0 50 FKAA O=C(c1cccc2ccccc12)c1nc2ccccc2n1CCCCCF 96024656 KUESSZMROAFKQJ-UHFFFAOYSA-N 360.432 5.560 0 50 FKAA in-vitro Cc1csc(-c2cccc(C(=O)Nc3ccccc3Br)c2)n1 129619696 OSOAYECOPXQTRY-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA O=C(Nc1ccc(O)cc1-c1ccc(Cl)cc1)c1cccnc1Cl 685965949 GLTMLPGXPMAIOI-UHFFFAOYSA-N 359.212 5.013 0 50 FKAA CC1(C(=O)OCCn2nc(-c3ccccc3)cc2-c2ccccc2)CCCC1 1875343938 YULRWLIYAXQMPJ-UHFFFAOYSA-N 374.484 5.341 0 50 FKAA Fc1cccc(-c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)c1F 2356136271 NCQCMARBYZSQNY-UHFFFAOYSA-N 350.290 5.789 0 50 FKAA CCOc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 687020 GPIIEPYPTJQUHW-UHFFFAOYSA-N 358.850 5.115 0 50 FKAA O=C(c1sc2ccccc2c1Cl)N1CCC(Cc2ccccc2)CC1 758792 GKTMNOSCCBIODV-UHFFFAOYSA-N 369.917 5.650 0 50 FKAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 943048 UNBHGTVKNUKXAO-BJMVGYQFSA-N 372.852 5.178 0 50 FKAA O=C(CSCc1cccc(Cl)c1)Nc1ccccc1-c1ccccc1 1119486 ZRTRWZQCWRPOOK-UHFFFAOYSA-N 367.901 5.879 0 50 FKAA O=C(Nc1cccnc1)c1ccc(COc2cccc3ccccc23)cc1 2750622 YMEUQPUQUFRSPR-UHFFFAOYSA-N 354.409 5.066 0 50 FKAA C[C@@H](CCc1ccc(O)cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 2894085 QLPAJZWONBXDTG-SBUREZEXSA-N 365.904 5.746 0 50 FKAA CCc1ccc(-c2cc(C(=O)NC3CC3)c3ccc(Cl)c(C)c3n2)cc1 6489960 NROPHDVMFXEIBN-UHFFFAOYSA-N 364.876 5.318 0 50 FKAA COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13330069 STZHKUOGCIEESE-SECBINFHSA-N 373.667 5.538 0 50 FKAA Cc1ccc2nc(N3CCc4onc(-c5ccccc5)c4C3)cc(C)c2c1 67757716 TUSBZFYIHKHKJW-UHFFFAOYSA-N 355.441 5.069 0 50 FKAA Clc1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1 218209944 JIHNZNBRECXPJB-UHFFFAOYSA-N 356.816 5.289 0 50 FKAA O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 225766227 NLQHJAMKFPTDBU-ZDUSSCGKSA-N 366.210 5.188 0 50 FKAA Clc1ccc(-c2csc(=Nc3ccccc3)n2-c2ccccc2)cc1 252666071 AKWQNBASWJIRBS-UHFFFAOYSA-N 362.885 6.092 0 50 FKAA CC1(C)CCC[C@@H](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 1875343864 XFNQTWSOGCNCKS-SFHVURJKSA-N 360.501 6.009 0 50 FKAA CC(C)CN(CC(C)C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 640741 HVGPVJZTVLRXIX-UHFFFAOYSA-N 351.705 5.793 0 50 FKAA CC(C)c1ccccc1NC(=O)c1ccccc1NC(=O)C1CCCCC1 1108296 BCWPCFMNCBEJHR-UHFFFAOYSA-N 364.489 5.581 0 50 FKAA CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 1114615 CBVOTUBCYRJCFX-UHFFFAOYSA-N 372.468 5.316 0 50 FKAA Cc1cccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)c1 1127408 URVREDSCKFWKNA-IAGOWNOFSA-N 359.260 5.040 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1C 1204211 RGUHNDZYPPIDDW-UHFFFAOYSA-N 357.413 5.067 0 50 FKAA O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(-c2ccccc2)cc1 1392781 ZIXXZNZUPAGWLP-UHFFFAOYSA-N 372.449 5.379 0 50 FKAA Cc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(Br)c1 2086446 LAOXPEQPLABWBQ-XYOKQWHBSA-N 372.306 5.707 0 50 FKAA O=C(CCCCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 2133454 JGOGNZXSEKDSTJ-UHFFFAOYSA-N 365.260 5.131 0 50 FKAA CCN(CC)c1ccc2cc(-c3nc4cc(Cl)ccc4o3)c(=O)oc2c1 2289928 CBNSBRVOBGWOBM-UHFFFAOYSA-N 368.820 5.101 0 50 FKAA in-vitro O=C(c1ccccc1)n1c(-c2ccccc2)cs/c1=N\c1ccccc1 4531377 LCUHTRRNIBNUCR-FCQUAONHSA-N 356.450 5.138 0 50 FKAA O=C(Nc1cccc2nc(C(F)(F)F)[nH]c12)c1cc(Cl)ccc1Cl 4625590 ZMLKUQHUEKYICV-UHFFFAOYSA-N 374.149 5.141 0 50 FKAA Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(C(C)C)oc12 5611626 KVMWWRWHPMCQBQ-UHFFFAOYSA-N 351.427 5.207 0 50 FKAA O=C(c1cc(C2CCCCC2)no1)N1CCC[C@@H]1c1ccc(Cl)cc1 21790795 FIEHKOABQSEYQH-GOSISDBHSA-N 358.869 5.353 0 50 FKAA Cc1ccccc1[C@@H]1CC(=O)c2c(nc3oc(-c4ccccc4)cc3c2N)C1 253495877 UHLJZEWDESJQQS-INIZCTEOSA-N 368.436 5.298 0 50 FKAA O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccccc1)c1ccccc1 1425204 RNGSJGQHCNLDNW-UHFFFAOYSA-N 373.477 5.235 0 50 FKAA CCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)c(Cl)c3)ccc12 3002850 ZVLIYKPWZRYZMW-UHFFFAOYSA-N 363.240 5.550 0 50 FKAA BrC(Br)=Cc1ccc(OCc2ccccc2)cc1 3075512 ILFBOHFMJNVFFL-UHFFFAOYSA-N 368.068 5.354 0 50 FKAA C=C[C@@H]([C@@H](Nc1ccccc1)c1ccc(Cl)cc1)n1nnc2ccccc21 5631361 YJWSYUOBCKPSBI-UNMCSNQZSA-N 374.875 5.665 0 50 FKAA CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1)O2 6048354 IODXJYTUOGPLCA-UPVQGACJSA-N 370.452 5.328 0 50 FKAA CCC[C@@H](O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1 77438677 LFJARROBNKXPOF-OAQYLSRUSA-N 372.472 5.071 0 50 FKAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cc2ccc(Cl)cc2n1C 215694992 FLDBLFYANXOYFE-GOSISDBHSA-N 369.896 5.230 0 50 FKAA CCCC[C@@]1(O)[C@@H](CCC)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245296752 POFXFTVXJUYYRI-WKNJGTSGSA-N 365.561 6.046 0 50 FKAA CC(C)CN[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)c1ccccc1 263621522 NIUIUSQEYIIYEC-XRFWFDNBSA-N 351.471 5.228 0 50 FKAA O=C(Nc1cccc(-c2cnco2)c1)N1CCCCC[C@@H]1c1ccco1 299761360 VRKNDVZLTFWWOA-QGZVFWFLSA-N 351.406 5.084 0 50 FKAA Cc1ccc(Cn2nc(-c3ccncc3)nc2C2[C@H]3CCCCCC[C@H]23)cc1 1875348164 ZCDKIBABKPUSCI-SFTDATJTSA-N 372.516 5.381 0 50 FKAA CCCNCc1cccc(Nc2ccc(-c3cccc(F)c3F)cn2)c1 2356152323 YUAWAYNVFDTLBG-UHFFFAOYSA-N 353.416 5.270 0 50 FKAA Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 631187 IAPHSZIXFIJGEP-DLBZAZTESA-N 359.260 5.040 0 50 FKAA O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 853013 BRJMHLBQPVXAPP-UHFFFAOYSA-N 356.450 5.729 0 50 FKAA CCOc1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1 949041 MZVSIBXXRHWCLZ-UHFFFAOYSA-N 357.251 5.448 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)s1 995992 QDRACTSPBWRZHW-UHFFFAOYSA-N 350.487 5.288 0 50 FKAA Cc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1112774 MGWVXTRFNPSHDB-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 1166901 MSLBEHNDXVODHT-UHFFFAOYSA-N 370.452 5.981 0 50 FKAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccco1 1196663 IXGQAIRMONSNRD-UHFFFAOYSA-N 360.196 5.070 0 50 FKAA O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 1198597 SEPITKOBEJYEBT-ZROIWOOFSA-N 350.226 5.234 0 50 FKAA Fc1cccc(N2N=C(/C=C/c3cccs3)C[C@H]2c2cccs2)c1 1231805 MFPABVYHQQJLES-BLGFXRMMSA-N 354.475 5.970 0 50 FKAA CC(C)=C[C@@H]1[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C 2013189 SBNFWQZLDJGRLK-NHCUHLMSSA-N 350.458 5.761 0 50 FKAA biogenic,world Cc1cccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C 2079394 YVFBZKUETGVRLF-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA O=C(Nc1ccccc1)c1ccccc1OCc1c(Cl)cccc1Cl 2844591 VKNDOVGAJYORTL-UHFFFAOYSA-N 372.251 5.825 0 50 FKAA CCc1cccc(CC)c1NC(=O)c1ccc(-c2ccccc2Cl)o1 4542028 KRVPOSOSOOYUFP-UHFFFAOYSA-N 353.849 5.977 0 50 FKAA CCCCCOc1ccc(Br)cc1-c1nc2ccccc2[nH]1 13229441 SVXFZNKSGBPALU-UHFFFAOYSA-N 359.267 5.561 0 50 FKAA Cc1oc(-c2ccsc2)nc1CN(C)Cc1cc2ccccc2s1 14955391 JABYFOFURQIDQL-UHFFFAOYSA-N 354.500 5.558 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3cc(C)ccc23)c2ccccc21 71746306 QGZBPEQODUAQNS-UHFFFAOYSA-N 355.481 6.524 0 50 FKAA in-vitro Brc1cc(/C=C\c2ccccc2)ccc1/C=C/c1ccccc1 71787024 BAHVVQDNBZYNGR-XGRKLIJNSA-N 361.282 6.790 0 50 FKAA CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 170616757 NAFUUTRIHBLRER-RWSFTLGLSA-N 354.281 5.273 0 50 FKAA O=C(O)c1cc(-c2ccc(SC(F)(F)F)cc2)c2ccccc2c1O 2325853527 SIKQWRMRDFNACF-UHFFFAOYSA-N 364.344 5.523 0 50 FKAA Cc1nc(N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c2ccsc2n1 2325878930 AXNRJXBEZYTFFV-SNVBAGLBSA-N 367.396 5.114 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 640360 TVLGGCNVUGCCJA-UHFFFAOYSA-N 363.288 5.480 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccccc3)ccc21 682339 XFOPMBWNWDGTCG-MRXNPFEDSA-N 358.441 5.220 0 50 FKAA aggregator CCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 727246 HEBLCVBIYYMLJO-UHFFFAOYSA-N 368.436 5.553 0 50 FKAA COc1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 843945 CBWZQLTYYOWMRF-UHFFFAOYSA-N 361.832 5.702 0 50 FKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cccc(F)c1 994619 UUDQFQKVILIKLV-UHFFFAOYSA-N 356.400 5.602 0 50 FKAA C[C@@H](c1ccccc1)n1c(COc2ccc(Cl)cc2)nc2ccccc21 2201326 RGQNRRJJTZBHBE-INIZCTEOSA-N 362.860 5.878 0 50 FKAA Cc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1Br 641889 CFULKRPEIQKYHZ-UHFFFAOYSA-N 370.699 5.142 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl 670464 MBWWLXUCTIIVFM-UHFFFAOYSA-N 357.240 5.989 0 50 FKAA Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1C(C)C 946924 WWTPZACYUVKYFJ-UHFFFAOYSA-N 373.496 5.403 0 50 FKAA Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 1178030 IBADOCAZPIUTNY-UHFFFAOYSA-N 353.347 5.415 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 1178555 REIJTAIFGPWMNN-HNNXBMFYSA-N 362.498 5.480 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1 1778046 ISGWCNPEPSBZTJ-JLHYYAGUSA-N 364.470 5.251 0 50 FKAA Cc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3ccccc3n2)cc1 2079398 HRUISVHDUHWGNM-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA c1ccc(-c2cc(-c3nc(-c4cccnc4)no3)c3ccccc3n2)cc1 2463848 GYVXISJAHXFLED-UHFFFAOYSA-N 350.381 5.014 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 2847911 QQWADVSDYQGPPT-UHFFFAOYSA-N 371.893 5.408 0 50 FKAA COc1cccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1OC 3899824 GWSLVMNUNCRMHU-UHFFFAOYSA-N 362.454 5.489 0 50 FKAA O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 4541808 XQPMDVKWOBQOJM-UHFFFAOYSA-N 360.240 5.825 0 50 FKAA CC(C)C[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN12 25582658 RWHXWHXPTJXOFU-UYAOXDASSA-N 358.844 5.395 0 50 FKAA Cc1ccc(-c2cc3c(N)c4c(nc3o2)C[C@H](c2ccccc2)CC4=O)cc1 253495816 RIGXXFDGKYJNLV-KRWDZBQOSA-N 368.436 5.298 0 50 FKAA Fc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 1410864 IMIFJHQLGGEYLS-UHFFFAOYSA-N 352.434 5.105 0 50 FKAA CCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 2494060 JWQQCGDGMHKGEM-UHFFFAOYSA-N 353.421 5.746 0 50 FKAA Cc1cc(OCc2ccccc2C)c2c(-c3ccccc3)cc(=O)oc2c1 2812028 XZMHFNNQXUOJCV-UHFFFAOYSA-N 356.421 5.656 0 50 FKAA COc1ccc(-c2ccccc2)cc1NC1CCC(c2ccccc2)CC1 2896746 UMYYUJVVXQJRFV-UHFFFAOYSA-N 357.497 6.501 0 50 FKAA COc1cc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc(OC)c1 15867114 CEWUXKTXAGBBMM-SFHVURJKSA-N 374.506 5.223 0 50 FKAA C1=CC=c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2=CC=C1 71785794 SJKSUVNLYYPKSQ-UHFFFAOYSA-N 356.468 5.861 0 50 FKAA Clc1ccccc1-c1nnc(CNc2ccc3c4c(cccc24)CC3)o1 119970207 YIEFTKVVBXFPGT-UHFFFAOYSA-N 361.832 5.254 0 50 FKAA CC(C)c1nc([C@H](C)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 225410093 YFGCXKQUQBXTBB-SUMWQHHRSA-N 354.416 5.865 0 50 FKAA Cc1ccccc1CNc1ccccc1NC(=O)c1cc2ccccc2n1C 2325841595 ASTJSLSAJXAJKM-UHFFFAOYSA-N 369.468 5.351 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Cl 678639 OATQVYISSCEMLE-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cccc2ccccc12 1096653 CQXYVAVMYSJJGT-UHFFFAOYSA-N 350.632 6.052 0 50 FKAA O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCCc2ccccc21 1115619 VFWOLKYESJTRHE-UHFFFAOYSA-N 370.663 5.005 0 50 FKAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1 1185141 FOFDUXIZWIRSLC-UHFFFAOYSA-N 351.368 5.155 0 50 FKAA CC(C)(C)c1cc(C(C)(C)C)c(Br)c(N)c1Br 2024084 FAQBCECRSGSUTO-UHFFFAOYSA-N 363.137 5.389 0 50 FKAA COc1ccc(OC)c(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)c1 2358444 KZLAYQYSWCZRDN-UHFFFAOYSA-N 362.454 5.489 0 50 FKAA COc1cccc(C2N(c3cccc(C)c3)CCN2c2cccc(C)c2)c1 2819556 WANUWTWPSWKWEZ-UHFFFAOYSA-N 358.485 5.337 0 50 FKAA CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 4754636 GXUDAPVRPIYIGS-ZSOIEALJSA-N 368.241 5.310 0 50 FKAA CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13330097 UUDJTAQIXDXNGA-LLVKDONJSA-N 353.249 5.275 0 50 FKAA FC(F)Oc1ccc(/C=C/c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 20608513 JUGFIGJRDZERSN-ZZXKWVIFSA-N 372.415 5.309 0 50 FKAA CCC[C@@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN21 25760172 GQNDDTQIWUTRIB-UYAOXDASSA-N 358.844 5.539 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 248024714 KVYUHOPVUTYJPS-GMWXCSQMSA-N 361.460 5.125 0 50 FKAA COc1cc2c(cc1OC)[C@@H](c1ccc(C)o1)SC(c1ccc(C)o1)=N2 820287 NIPYXZCKIFILAL-IBGZPJMESA-N 369.442 5.421 0 50 FKAA biogenic CCc1ccccc1NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 1133321 JAINXMDGOWSHTO-UHFFFAOYSA-N 361.441 5.089 0 50 FKAA Cc1ccc(C)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 1139536 PITQAUITHHKLJH-UHFFFAOYSA-N 354.302 5.482 0 50 FKAA O=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1 90669276 DLTDKNZISWUVBJ-UHFFFAOYSA-N 355.462 6.697 0 50 FKAA Brc1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12 149261378 FEANXXZXEFEMOW-UHFFFAOYSA-N 372.265 6.699 0 50 FKAA CCC(C)(CC)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 170626346 XRXCGWKCWYYPCC-UHFFFAOYSA-N 363.457 5.077 0 50 FKAA CC[C@@H](F)CCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21 575440718 SVAFPMQCQHIESM-GOSISDBHSA-N 374.459 6.185 0 50 FKAA in-vitro CCN(C(=O)c1cccc(C(=O)N(CC)c2ccccc2)c1)c1ccccc1 631072 XAOUTZSLDUFREL-UHFFFAOYSA-N 372.468 5.020 0 50 FKAA COc1ccc([C@]2(CCN[C@@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 892479 ILBAKKLPGWDQKA-YADARESESA-N 367.533 5.263 0 50 FKAA biogenic Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1C 1153948 GEMKMEJSTNVCIH-UHFFFAOYSA-N 357.409 5.205 0 50 FKAA CC(=O)c1c(Sc2ccc(Cl)cc2Cl)nc2ccccc2c1C 4042366 PANFXVXESXKVES-UHFFFAOYSA-N 362.281 6.204 0 50 FKAA Oc1nc(/C=C/c2cccc(Oc3ccccc3)c2)cc(C(F)(F)F)n1 4094601 SUKVZEYNCCNBLU-MDZDMXLPSA-N 358.319 5.164 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1Cl 13320088 ACKFBPIOIBKSGE-UHFFFAOYSA-N 353.647 5.363 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@@H](CC)C(=O)O 113493441 VOGXDRFFBBLZBT-DQINFVRLSA-N 374.565 6.788 0 50 FKAA investigational O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 225766246 NLQHJAMKFPTDBU-CYBMUJFWSA-N 366.210 5.188 0 50 FKAA C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN(C)Cc1ncc(C(C)(C)C)[nH]1 1875357340 COZQXOHTDHYIGC-KRWDZBQOSA-N 355.570 5.315 0 50 FKAA Cc1ccccc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 726831 IHIKBPIUSVLGFJ-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA COc1ccc(-c2cc(C(=O)Oc3ccccc3)c3ccccc3n2)cc1 863012 GXAUSDZHCHDYKC-UHFFFAOYSA-N 355.393 5.130 0 50 FKAA C[C@H](c1ccccc1)[C@H](Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 975615 GAELJTQGYRTLNW-AEFFLSMTSA-N 366.468 5.569 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1F 1113824 SYILBORPGMXEPH-UHFFFAOYSA-N 367.232 5.508 0 50 FKAA O=C(Nc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 1146708 ATUHZOJTVGOWJV-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1207383 NMOGNTAOTBZQJS-UHFFFAOYSA-N 354.233 5.043 0 50 FKAA Cc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1C 2912489 OHUOZDCDGFWJNS-UHFFFAOYSA-N 372.493 6.963 0 50 FKAA FC(F)(F)c1cccc(N2CCN(Cc3ccc4ccccc4c3)CC2)c1 55543769 QQQLCXVTAFVNLH-UHFFFAOYSA-N 370.418 5.181 0 50 FKAA CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1cccc(C(F)(F)F)c1 65337440 PNLRGASBTNNECM-HNNXBMFYSA-N 373.415 5.264 0 50 FKAA in-vitro CC1(C)[C@@H](c2ccccc2)N(O)C(c2ccccc2)=C(c2ccccc2)[N+]1=O 334157292 JFWXCHREBUGAMR-HSZRJFAPSA-N 371.460 5.516 0 50 FKAA C[C@@H]1SCCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1 1875346539 GZCLMNUWCDTXLO-SJCJKPOMSA-N 366.313 5.312 0 50 FKAA C[C@H](N[C@H](C)Cc1ccc2c(c1)CCCC2)c1nc(C2CCCCC2)no1 1875357724 UHIBWVBBEXMYNI-SJORKVTESA-N 367.537 5.278 0 50 FKAA O=C1CCCC[C@@H]1Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 633855 JCSQRBHGMYPRAF-SFHVURJKSA-N 368.816 5.004 0 50 FKAA CCc1ccccc1NC1=C2CCCCC=C2N(c2ccccc2CC)C1=O 1423032 FQDOCUDTJNOVLI-UHFFFAOYSA-N 372.512 5.982 0 50 FKAA COc1cc(Cl)ccc1NC(=O)OCCSc1ccc(Cl)cc1 2173816 UINHWKARTPSVMN-UHFFFAOYSA-N 372.273 5.343 0 50 FKAA Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3Cl)cc(C(=O)O)c2c1 2738078 CBYZRAUNPBAREH-UHFFFAOYSA-N 366.631 5.869 0 50 FKAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cccnc1Cl 2738672 LIOTXACSTBAQGY-UHFFFAOYSA-N 365.845 5.264 0 50 FKAA CCOc1ccccc1OCCCCOc1ccccc1Br 2985506 KIMRTLRWMFQKHA-UHFFFAOYSA-N 365.267 5.086 0 50 FKAA CC(C)OP(=O)(OC(C)C)[C@@H](NCc1ccccc1)c1ccccc1 19707972 IKJSYELZPQNAQS-HXUWFJFHSA-N 361.422 5.518 0 50 FKAA COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)cc1 22017188 WPIAKAFHSWHWFV-UHFFFAOYSA-N 369.823 5.335 0 50 FKAA Cc1ccc2oc(C(=O)N(Cc3ccccc3F)c3ccccn3)c(C)c2c1 28292630 OJMXPSSCGMSTFC-UHFFFAOYSA-N 374.415 5.431 0 50 FKAA FC(F)(F)c1ccc(-c2nc(Cl)nc3sc4c(c23)CCC4)cc1 98095320 VTAAOJXHMFOUOQ-UHFFFAOYSA-N 354.784 5.519 0 50 FKAA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257350676 ZFTMPARDUAODSX-MVJUUSTASA-N 360.538 5.024 0 50 FKAA CCO[C@@H](c1noc(C(F)=C2CCC2)n1)c1ccc(F)cc1C(F)(F)F 424367047 ZNIYKSUGCOJPFW-CQSZACIVSA-N 374.309 5.218 0 50 FKAA CC(C)CN(Cc1ccco1)C(=O)N[C@H](C)c1ccccc1C(F)(F)F 426535730 VWSRNVHGTQPLGE-CQSZACIVSA-N 368.399 5.227 0 50 FKAA CC(C)Oc1ccc([C@H](C)NCc2nc(C3CC3)cs2)cc1Cl 793551525 UNKJUQCBZIJTNA-LBPRGKRZSA-N 350.915 5.312 0 50 FKAA Cc1ccc(SCC(=O)Nc2cc(C)c(C)cc2Br)cc1 681995 FGEKVLVOLYGWBS-UHFFFAOYSA-N 364.308 5.105 0 50 FKAA Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(CC(C)C)cc2)c(C)s1 2743986 VSDMAYBPLBCATH-UHFFFAOYSA-N 369.490 5.174 0 50 FKAA CCCCOc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 4821346 QQMHYUDXBBJZCI-UHFFFAOYSA-N 351.446 5.410 0 50 FKAA Cc1ccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)c(C)s2)cc1 8914653 JBOHCBNNTGFJEZ-UHFFFAOYSA-N 366.530 5.480 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)Nc1ccccc1Oc1ccccc1 17076386 RVHIPOGBLZONGN-UHFFFAOYSA-N 373.239 6.430 0 50 FKAA CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(F)(F)F)c12 20605341 WGKOLSNNPJYAPI-UHFFFAOYSA-N 363.358 5.579 0 50 FKAA OCCN(Cc1ccccc1)Cc1cccc(Oc2ccc(Cl)cc2)c1 23281496 OXUXYTPIJDCNPE-UHFFFAOYSA-N 367.876 5.127 0 50 FKAA ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CCCCC[C@H]3[C@@]1(Cl)C2(Cl)Cl 104262991 HQYVDLQNJILNTR-QPYBSBGSSA-N 368.946 6.028 0 50 FKAA S=c1oc(-c2ccccc2Cl)nn1CN1CCC[C@H]2CCCC[C@H]21 229996085 JVLNHMIJCWXZMX-CZUORRHYSA-N 363.914 5.138 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 252612676 IUOVUHKJLLXHLL-MNZLEMJZSA-N 364.316 6.261 0 50 FKAA Cc1ccc(-c2nc3nc(-c4ccc(Cl)cc4)nc(Cl)c3o2)cc1 1857798751 ACKJBLXFSYPAFU-UHFFFAOYSA-N 356.212 5.567 0 50 FKAA Cc1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1 671888 LKERJFAPOASUBP-UHFFFAOYSA-N 372.493 5.765 0 50 FKAA Cc1ccc(-c2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2C)cc1 947330 BISZFURKBCLWNW-KPKJPENVSA-N 368.889 5.732 0 50 FKAA O=C(Nc1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 977595 RKGVQKSNQKIOOT-UHFFFAOYSA-N 360.438 5.128 0 50 FKAA Clc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1 1171957 CXUWEKZMNVUKHT-UHFFFAOYSA-N 350.809 5.232 0 50 FKAA O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Br)cc1 2584651 RBPGKDCYEWHGDD-ACCUITESSA-N 368.230 5.361 0 50 FKAA Cc1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1C 2737850 XULBWXLCYRFFSD-UHFFFAOYSA-N 366.464 6.079 0 50 FKAA COc1ccc(-c2nnc(-c3sc4cc(C)ccc4c3Cl)o2)cc1 2753603 WOSCLZSFZZLJDQ-UHFFFAOYSA-N 356.834 5.589 0 50 FKAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1Sc1ccccc1 2853755 HTJVQQLEAIIYNA-UHFFFAOYSA-N 369.873 5.752 0 50 FKAA CC[C@H](F)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746335 HZCSEIOOIWCYMP-SFHVURJKSA-N 359.444 6.164 0 50 FKAA in-vitro c1ccc2c3c(ccc2c1)OCCOCCOc1ccc2ccccc2c1-3 639029 XIUXQERMIOQHLQ-UHFFFAOYSA-N 356.421 5.448 0 50 FKAA Cc1cc(Br)c(OC(=O)Nc2ccc(C(C)C)cc2)cc1C 641367 WJNKEKWLNAZDFS-UHFFFAOYSA-N 362.267 5.800 0 50 FKAA COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cccs1 675977 JRDPAVULJSXAGL-UHFFFAOYSA-N 371.483 5.132 0 50 FKAA COc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 680980 BAFYUSHCVCDOFP-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccs1 717976 PCEJHTQHSXLWMO-QHCPKHFHSA-N 361.510 5.883 0 50 FKAA CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1-c1ccccc1 850549 QMRJQMZBFHPCLI-UHFFFAOYSA-N 365.454 5.153 0 50 FKAA CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(Cl)cc1C 948623 UHGADKVOQDCXTF-UHFFFAOYSA-N 370.836 5.126 0 50 FKAA CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 1080697 RLOSDYPJBDWGEH-LJQANCHMSA-N 372.512 5.613 0 50 FKAA c1ccc2c(-c3nc4c5c6c(sc5ncn4n3)CCCC6)cccc2c1 1205636 SWCQZGKRHHPMLY-UHFFFAOYSA-N 356.454 5.038 0 50 FKAA O[C@H](c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 2173355 NTTRVQMEEZHWEM-CYBMUJFWSA-N 356.463 6.035 0 50 FKAA O=C(Nc1ccccc1)Nc1nc(-c2cccc(Br)c2)cs1 2763294 AXAHYVFQNWHLOJ-UHFFFAOYSA-N 374.263 5.217 0 50 FKAA Cc1cc(OCc2ccc(S(=O)(=O)c3ccccc3)cc2)ccc1Cl 2845147 BXJKIZQTYMOSKM-UHFFFAOYSA-N 372.873 5.060 0 50 FKAA O=C(/C=C/c1cccc2ccccc12)Nc1ccc(Nc2ccccc2)cc1 2983977 BBDIMMRVTDMVAG-QGOAFFKASA-N 364.448 6.235 0 50 FKAA Cc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3cccs3)C2)cc1 5059143 RFLZMNZIBXPULZ-LJQANCHMSA-N 352.890 6.066 0 50 FKAA Cc1[nH]nc(-c2ccc(OCc3ccccc3)cc2O)c1Oc1ccccc1 9350907 CJEYWEGRBNXGIN-UHFFFAOYSA-N 372.424 5.462 0 50 FKAA CC[C@@H](C)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 13329975 ULBJPECXFVLLMG-OLZOCXBDSA-N 365.304 6.390 0 50 FKAA CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 25582988 IODXJYTUOGPLCA-ISKFKSNPSA-N 370.452 5.328 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3c(OC)cccc23)c2ccccc21 71746311 HWBCWKTVWWHQRW-UHFFFAOYSA-N 371.480 6.224 0 50 FKAA in-vitro Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 91663044 YFNQPRYDXZZJBA-CQSZACIVSA-N 371.531 5.162 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NCC[C@]4(C)[C@H]3CC[C@@]12C 252441352 SAWPPQLIWVGNDH-UAONAUEWSA-N 359.642 6.670 0 50 FKAA C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)Nc1cccc(Cl)c1 1875305804 IUDOIVGADAKDOT-IBGZPJMESA-N 364.823 5.247 0 50 FKAA C[C@@H](CNc1ncnc2sc(-c3ccccc3)cc12)N(C)c1ccccc1 1875341613 ZROKBNTZQDYBPA-INIZCTEOSA-N 374.513 5.295 0 50 FKAA c1ccc2c([C@@H]3CCCN3Cc3noc(C4CCCCC4)n3)cccc2c1 1875356482 LZEXRKXNERCFCR-NRFANRHFSA-N 361.489 5.608 0 50 FKAA CCC(CC)C(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 942761 CHBVCMVARBZIQF-UHFFFAOYSA-N 366.413 5.235 0 50 FKAA biogenic CCc1ccc2oc(C(=O)Nc3ccccc3Br)c(C)c2c1 1057175 XVEPOZJRXLJHRM-UHFFFAOYSA-N 358.235 5.318 0 50 FKAA COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1O 1195613 GWQSXPMDIQADHQ-UHFFFAOYSA-N 372.424 5.134 0 50 FKAA COc1cc(C(=S)N2CCCCCC2)ccc1OCc1ccc(C)cc1 2858083 RWJOIOBCHRWLSX-UHFFFAOYSA-N 369.530 5.134 0 50 FKAA C[C@@H](C1c2ccccc2-c2ccccc21)C1(C)c2ccccc2-c2ccccc21 3136964 SSXFYGIQXPNNRW-IBGZPJMESA-N 372.511 7.422 0 50 FKAA COc1ccccc1[C@H]1CN(c2ccc(Cl)cc2)N=C1c1cccs1 4020943 YQHVZAPGOAKEMR-QGZVFWFLSA-N 368.889 5.418 0 50 FKAA Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)cc1 36620845 OPYCIBBTJKVDAZ-QGZVFWFLSA-N 359.267 5.127 0 50 FKAA Cc1ccc(C(=O)c2cn(CCC[C@@H](C)O)c3ccccc23)c2ccccc12 95910942 CLPJTHSXFZPIBP-GOSISDBHSA-N 371.480 5.495 0 50 FKAA in-vitro C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@@]12C 257356006 FEGCPHIPSRBREU-FBQIOEMXSA-N 374.565 5.283 0 50 FKAA Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 656488 RSDIZVQFCKLATE-CYBMUJFWSA-N 366.288 5.831 0 50 FKAA CCc1ccc(NC(=O)c2ccc(COc3ccccc3OC)cc2)cc1 992735 UJASNJIIMITUOO-UHFFFAOYSA-N 361.441 5.089 0 50 FKAA Cc1cc2ncn(CCOc3ccccc3OCc3ccccc3)c2cc1C 1064470 VBCJOAZKPKQSJB-UHFFFAOYSA-N 372.468 5.311 0 50 FKAA CC(C)C[C@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 2250768 YZIUAMHPYPJSNI-SGTLLEGYSA-N 364.898 5.365 0 50 FKAA Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)CCCCC3 2388600 RXKXJYVYEKSLRK-UHFFFAOYSA-N 371.893 5.053 0 50 FKAA CC[C@@]1(C)C[C@@](CCNCc2ccc(F)cc2)(c2ccc(C)cc2)CCO1 4093983 RIFBHJUQIDTORA-ZEQRLZLVSA-N 369.524 5.531 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccco1 4498919 CSHHKOJCPNRDGU-GIXOBGAESA-N 358.441 5.271 0 50 FKAA c1ccc(-c2nc(COc3ccc4oc5c(c4c3)CCCC5)cs2)cc1 6668160 OZWMOJNXJXQWOS-UHFFFAOYSA-N 361.466 6.014 0 50 FKAA Cc1ccc2nc(-c3cccc(NC(=O)/C=C\c4ccccc4)c3)oc2c1 15659830 XQXAFCMKONELCW-QBFSEMIESA-N 354.409 5.455 0 50 FKAA CC(C)Oc1ccc(Nc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 954169 RRWROXVHWUIESP-CYBMUJFWSA-N 353.491 5.347 0 50 FKAA CCc1ccccc1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807524 FIHXEWDMTFHRNZ-UHFFFAOYSA-N 359.860 6.256 0 50 FKAA CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C 3830820 HQMNCQVAMBCHCO-DJRRULDNSA-N 354.490 5.646 0 50 FKAA world Cc1cc(Nc2ccc(F)cc2)n2ncc(-c3ccccc3Cl)c2n1 23114946 FOLXBBSATWYINA-UHFFFAOYSA-N 352.800 5.241 0 50 FKAA CCN(CC)CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 39369628 NGXOVHNYDLBKOL-UHFFFAOYSA-N 352.503 5.443 0 50 FKAA COc1ccc(C2=NN3[C@H](CC(C)C)Oc4ccc(Cl)cc4[C@H]3C2)cc1 248199602 UJKXUKRXTJCACO-CTNGQTDRSA-N 370.880 5.264 0 50 FKAA Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 639079 SOXVHIMIRZCAMM-UHFFFAOYSA-N 358.846 5.274 0 50 FKAA COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCCCC1 1124052 SBGDNAVFDSOKLZ-UHFFFAOYSA-N 360.457 5.091 0 50 FKAA Cc1cccc2c(C(=O)N3[C@H](C)CCC[C@H]3C)cc(-c3cccnc3)nc12 1460014 BGYQVBDDHNDVLW-IAGOWNOFSA-N 359.473 5.008 0 50 FKAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2C)C1 2558456 BNTPJLCBRDZHIL-AWEZNQCLSA-N 356.535 5.432 0 50 FKAA CCN(CC)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 2852551 YQTIQQVVQNOCPZ-UHFFFAOYSA-N 351.372 5.196 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4C)ccc3o2)cc1 5046139 CKKKZSXNJJBNMA-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA Fc1ccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)cc1 5739544 DTEROEPXHJMAAB-XLIONFOSSA-N 350.418 5.130 0 50 FKAA COc1ccc(-c2cs/c(=N\C3CCCCC3)n2C2CCCCC2)cc1 13302191 VNCSUDYWKAPZJV-FCQUAONHSA-N 370.562 5.964 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1 20616246 FFJSWOPLNQBDGL-UHFFFAOYSA-N 370.836 5.085 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 245235137 IBBHEQXRACLNGJ-PVDPRZOGSA-N 364.316 6.261 0 50 FKAA O=C(c1cccc(Cl)c1)N1N=C(c2ccsc2)C[C@H]1c1cccs1 253433430 WTQWQBWMOUJPEK-INIZCTEOSA-N 372.902 5.455 0 50 FKAA O=C(COc1ccccc1Cl)N1c2ccccc2Sc2ccccc21 675687 JRXYZYWLLMFTAH-UHFFFAOYSA-N 367.857 5.548 0 50 FKAA CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 994532 MYAAXXFYQYAHIT-QGZVFWFLSA-N 372.877 5.260 0 50 FKAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1172952 JNZGBQVYUDCEJQ-UHFFFAOYSA-N 364.150 5.273 0 50 FKAA CC(C)CC(=O)N[C@H](Oc1cccc2ccccc12)C(Cl)(Cl)Cl 3123312 ZEUNYDQMQYZSAL-MRXNPFEDSA-N 374.695 5.077 0 50 FKAA O=C(Nc1ccc(F)cc1F)N1CCCCC[C@@H]1c1ccc(Cl)cc1 35561790 STUDHHOYLRTZTE-GOSISDBHSA-N 364.823 5.767 0 50 FKAA c1ccc(-c2ncn(Cc3ccco3)c2-c2ccc([C@H]3CCCCO3)o2)cc1 65386113 XJMISOHTXSQPEK-LJQANCHMSA-N 374.440 5.693 0 50 FKAA CCCCCn1cc(C(=O)c2cc(C)cc3ccccc23)c2ccccc21 71746325 AWAISCZQPNYSRY-UHFFFAOYSA-N 355.481 6.524 0 50 FKAA in-vitro CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@H]2C1 257349857 RWGWCMSZRIAUME-QKQCPCNTSA-N 358.522 5.086 0 50 FKAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccccc2)cc1 1178710 AJPUBCNNQTWYBS-UHFFFAOYSA-N 368.436 5.205 0 50 FKAA S=C(NCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 1215150 XEJJWFIBWWIWKO-UHFFFAOYSA-N 366.917 5.459 0 50 FKAA CCOc1ccc(/C=C/C(=O)Oc2ccc(C)cc2C(C)(C)C)cc1OC 1774154 HMASRAKGWZGFLD-JLHYYAGUSA-N 368.473 5.319 0 50 FKAA COc1ccc(O)c(-c2nc3c(C(C)(C)C)cc(C(C)(C)C)c(O)c3o2)c1 2267253 HYTVAYOXXCJOKA-UHFFFAOYSA-N 369.461 5.510 0 50 FKAA CC(C)(C)c1ccc(CSc2nnc3sc4ccccc4n23)cc1 2679662 QFGROZXLLWQRBR-UHFFFAOYSA-N 353.516 5.534 0 50 FKAA CCCc1cc(=O)oc2c(C)c(OCc3ccc(F)cc3Cl)ccc12 2986299 UGKMVYBNLUPZIU-UHFFFAOYSA-N 360.812 5.425 0 50 FKAA CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC 4521903 BZUDVELGTZDOIG-HJOGWXRNSA-N 353.679 7.938 0 50 FKAA in-vitro Cc1ccc(C(=O)NC[C@@H](c2ccccc2)C2CCCCC2)cc1Cl 4761398 GYWVUDPLBLELGJ-FQEVSTJZSA-N 355.909 5.742 0 50 FKAA Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C 19770414 ZRVIGLCGGWQTGL-UHFFFAOYSA-N 370.496 5.114 0 50 FKAA CC1(C)CCCC2=C1CC(C)(C)[C@H](Nc1cccc(C(F)(F)F)c1)C2 22017456 IPJGIIMWVQTMFD-GOSISDBHSA-N 351.456 6.813 0 50 FKAA CC(C)(C)CCc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 44126428 JHBPVQAJAHQMRV-UHFFFAOYSA-N 360.542 5.477 0 50 FKAA COc1ccc(C)cc1[C@@H]1CC(=O)[C@]2(C=C1C)C(C)=N[C@]1(C)CCCC[C@@H]21 230288746 ZGEKFEQZCLSBIE-XTFFSAJJSA-N 365.517 5.416 0 50 FKAA Clc1ccc(Oc2ccc(NCc3cccc4c3COC4)cc2)cc1 2325864711 XOPCZCCTNKVVBC-UHFFFAOYSA-N 351.833 5.775 0 50 FKAA CC[C@H](C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 753325 ZHMQUTYADDALLW-NSHDSACASA-N 358.290 5.308 0 50 FKAA Cc1cc(OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1C(C)C 957932 YSHDHWOANPSMOC-UHFFFAOYSA-N 352.261 5.443 0 50 FKAA Cc1cccc(Cl)c1NC(=O)Oc1ccc(-c2ccccc2)cc1Cl 2173755 HQGCJGMBYILCEV-UHFFFAOYSA-N 372.251 6.580 0 50 FKAA Clc1c(Cl)c(Br)c(Cl)c(Cl)c1Br 3123643 DDBHFNKBELOPJO-UHFFFAOYSA-N 373.686 5.825 0 50 FKAA Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c(C)c1 6271760 UNZABWFVULZZMA-UPVQGACJSA-N 372.443 5.685 0 50 FKAA COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@@H]32)cc1Br 35360447 JLCYZTCXNIKYLE-VMDGZTHMSA-N 374.278 5.011 0 50 FKAA O=Cc1cn(-c2ccccc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 44672183 CEBRGFGIKMZDRT-UHFFFAOYSA-N 374.827 5.798 0 50 FKAA C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1Cc1noc(C2CC2)n1 65405905 OWXFQNQTGPNUPV-NTCAYCPXSA-N 372.428 5.012 0 50 FKAA COc1ccccc1[C@H]1C=C(c2ccccc2)Nc2nc3ccccc3n21 100949380 MRUSOAKWCXAWBU-OAQYLSRUSA-N 353.425 5.101 0 50 FKAA CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)C1 230002862 DOGYPPMIZGQYII-HOTGVXAUSA-N 368.691 5.175 0 50 FKAA CC[C@@H](NC(=O)C1(Nc2ccc(OC)cc2)CCCCC1)c1cccs1 822662149 LJCWJMURFXQWRC-GOSISDBHSA-N 372.534 5.139 0 50 FKAA Cc1ccc(Cn2nc(-c3ccncc3)nc2[C@@H]2[C@H]3CCCCCC[C@H]32)cc1 1875348165 ZCDKIBABKPUSCI-ZBYYUNFXSA-N 372.516 5.381 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cc(F)c(F)cc1Cl 756949 WOYSJOPUIFNPJA-UHFFFAOYSA-N 374.774 6.055 0 50 FKAA CSC1=NC(C)(C)CC1=C1C=C(C)C2(CC(C)(C)N=C2SC)C(C)=C1 1075601 GAJDBZLQNNQQKJ-UHFFFAOYSA-N 374.619 6.063 0 50 FKAA CCc1cccc(CC)c1NC(=O)C1c2ccccc2Oc2ccccc21 1113756 JDNJLRIUXFVBQV-UHFFFAOYSA-N 357.453 5.688 0 50 FKAA Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc(C)c2O)c2ccccc2)cc1C 1122810 DERJTFVXHIHDNP-QHCPKHFHSA-N 374.436 5.098 0 50 FKAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@H](C)C[C@@H](C)C1 1214433 QCNFTRLIHFZUGX-GHMZBOCLSA-N 367.276 5.075 0 50 FKAA Cc1cc(C(C)(C)C)cc(Br)c1OC(=O)Nc1ccccc1 1233900 UTYPTFJTLZYCJD-UHFFFAOYSA-N 362.267 5.666 0 50 FKAA Cc1ccc([C@@]2(CCNCc3ccccc3F)CCO[C@@H](C(C)C)C2)cc1 2217983 LXQCJRFOFVFPAV-RPWUZVMVSA-N 369.524 5.387 0 50 FKAA CCCCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3 2273850 IGHXTWLEXRXNSH-UHFFFAOYSA-N 370.543 5.136 0 50 FKAA CC(C)COc1cccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)c1 2526052 WFNOKPVMROLMPQ-UHFFFAOYSA-N 355.821 5.288 0 50 FKAA CC[C@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C)c1ccccc1 2836897 BWOWZFNRZAJOEH-BBRMVZONSA-N 356.516 5.044 0 50 FKAA CCc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 2980727 GRYBECJCKYJPGW-UHFFFAOYSA-N 354.247 5.417 0 50 FKAA C[C@H](CC[C@H](COc1ccccc1N)[C@H](C)CC(C)(C)C)CC(C)(C)C 101016283 HGQBRBXGVRFTTN-VAMGGRTRSA-N 361.614 7.189 0 50 FKAA O=C(Nc1cccc(Br)c1)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 253387580 KVFSWFSBUJJKAD-XANVIZKASA-N 374.322 5.716 0 50 FKAA CC(=O)c1c(C)cc(NC(=O)c2csc(C3CCCCC3)c2)cc1C 2325840491 BZJDPTXLUPUKGU-UHFFFAOYSA-N 355.503 5.868 0 50 FKAA Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccncc3)c2C)cc1 656176 GCXBYHWWKYUGKH-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA CCOc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc(Cl)c1O 795913 BSMJYSIGVMCHSW-MRXNPFEDSA-N 367.832 5.072 0 50 FKAA COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 828049 JSMSXGOFZIZQBX-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-c2ccccc2)cc1 951501 MCQZGSQKYJWAOL-UHFFFAOYSA-N 351.833 5.576 0 50 FKAA COc1cccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)c1 1112708 WFWNRYNOCNQBND-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C 1146658 HDFWYZUOMZEBLZ-UHFFFAOYSA-N 361.285 5.593 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc(Br)cc1 1179067 ZGSAFWOJCCGPNC-UHFFFAOYSA-N 370.699 5.223 0 50 FKAA Cc1cccc(-c2nc3cc(NC(=O)C(Cl)(Cl)Cl)ccc3o2)c1 1180238 MJQPHANTYOGXLK-UHFFFAOYSA-N 369.635 5.112 0 50 FKAA Cc1ccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 1180706 NVGIFYQBABBLPP-UHFFFAOYSA-N 363.800 5.241 0 50 FKAA CCc1cccc(CC)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1 1319354 FFZSSNUSZPLNPW-UHFFFAOYSA-N 372.512 6.046 0 50 FKAA O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc2ccccc12 2812335 MYOJHGATJCEEHQ-UHFFFAOYSA-N 372.468 5.108 0 50 FKAA COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 2853719 YPKMGBVYASWAPU-UHFFFAOYSA-N 365.043 5.561 0 50 FKAA O=C(CCSc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 2980718 VGMLOUVXACZRMA-UHFFFAOYSA-N 363.482 5.387 0 50 FKAA aggregator CCCCC(=O)O[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 4590230 QMDIZEWVDJAUDA-DYESRHJHSA-N 365.473 5.209 0 50 FKAA CC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 334163283 NJPTZMIPNXGMBN-LAUBAEHRSA-N 360.501 5.616 0 50 FKAA COc1cccc(OC)c1-c1cccc2c1P(C(C)(C)C)[C@H](C(C)C)O2 953043689 AVUPKIFOTAYCAC-OSMGYRLQSA-N 372.445 5.651 0 50 FKAA Cc1c(Cl)cccc1NC(=O)Nc1ccc(Nc2ccccc2)cc1 641643 GCSVUCXFWJQUCL-UHFFFAOYSA-N 351.837 6.036 0 50 FKAA C[C@@H](c1ccccc1)N(C(=O)c1ccccc1C(=O)O)[C@@H](C)c1ccccc1 641886 NCYIVOVUPRJYNJ-ROUUACIJSA-N 373.452 5.349 0 50 FKAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@H]1C[C@H]1c1ccccc1 995916 KCWMJAKMSZUKOC-PMACEKPBSA-N 370.477 5.706 0 50 FKAA COc1ccc(C)cc1NC(=O)CSCc1c(Cl)cccc1Cl 1129242 VYMMPSLUBOQLLM-UHFFFAOYSA-N 370.301 5.182 0 50 FKAA COc1cc(Nc2nc(-c3ccc(C)c(C)c3)cs2)c(OC)cc1Cl 1195544 LQZUGVLSSAXKRB-UHFFFAOYSA-N 374.893 5.841 0 50 FKAA COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c1 1216571 DDDULKRSBRDDBR-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA CC(C)Nc1nc(Oc2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 1396762 KPZTYFJZQWHZPA-UHFFFAOYSA-N 366.170 5.415 0 50 FKAA c1ccc(COc2ccc3ccccc3c2CNCc2ccncc2)cc1 4622014 OROAWSVEPCPNNB-UHFFFAOYSA-N 354.453 5.104 0 50 FKAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1Cl 4993567 NPEHNVZQFWCCLE-UHFFFAOYSA-N 363.288 5.232 0 50 FKAA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(Br)c1 5101507 QQXLCGYPTODHES-BQYQJAHWSA-N 370.168 5.120 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO 8689961 GEEHOLRSGZPBSM-KUBAVDMBSA-N 371.565 5.573 0 50 FKAA endogenous,in-man CCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21 13476537 IBBNKINXTRKICJ-UHFFFAOYSA-N 355.481 6.524 0 50 FKAA in-vitro Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 13809705 CDJDMSWCJSDGBN-YLJYHZDGSA-N 350.805 5.175 0 50 FKAA CCOc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 55543788 ZWRGTSLTCGGSLB-UHFFFAOYSA-N 372.512 5.075 0 50 FKAA CC1=C(Sc2ccc(Cl)cc2)c2ccc(Cl)cc2S1(=O)=O 71769570 JVLLRWDCQSCQAE-UHFFFAOYSA-N 357.283 5.262 0 50 FKAA COc1cccc(NC(=O)[C@@H](Sc2ccc(C)cc2)c2ccccc2)c1 253415586 BFZCFOGZSXAESM-NRFANRHFSA-N 363.482 5.476 0 50 FKAA COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@H]2[C@@H]3c2ccccc2)cc1 254816546 IAPNQZCYNPAEIU-CAQDGQBVSA-N 374.871 5.276 0 50 FKAA CCCCCCc1ccc(N[N+](=O)c2ccc(CCCCCC)cc2)cc1 409415731 ZPDWDNMMIVPQIY-UHFFFAOYSA-N 367.557 7.370 0 50 FKAA COCCC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C)c(C)c3)cc2)C1 426677836 DEBXSEBMMIWXGH-HXUWFJFHSA-N 365.517 5.249 0 50 FKAA Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@H](C)c1ccccc1Cl 496424665 VAOLQTUZKQSAHG-CYBMUJFWSA-N 354.837 5.137 0 50 FKAA COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C(C)C)cc2)o1 649218 VODAQAYZUVOHJK-UHFFFAOYSA-N 366.413 5.210 0 50 FKAA Cc1ccc(Nc2nc([C@@]3(C)C[C@H](CCC(C)C)C(=O)O3)cs2)cc1 674482 RHVNGYYWNZQCCU-MGPUTAFESA-N 358.507 5.410 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1C[C@H]1c1ccccc1 1113846 UQMKOYGWURFPAN-HOTGVXAUSA-N 354.862 5.206 0 50 FKAA Cc1c(OCc2ccc(Cl)cc2)ccc2c(C(F)(F)F)cc(=O)oc12 1169256 XICRYZRVQBQUGB-UHFFFAOYSA-N 368.738 5.353 0 50 FKAA CCC(=O)c1ccccc1OCCCOc1ccc(Cl)c2cccnc12 2862774 DNAOVIDFZWQRQG-UHFFFAOYSA-N 369.848 5.329 0 50 FKAA Cc1cc(SCC(=O)Nc2cccc3ccccc23)nc2c(C)cccc12 3016926 ZXHJOXQGKCUFLD-UHFFFAOYSA-N 372.493 5.736 0 50 FKAA CC(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 150801702 XQPOINYKFGMGGM-UHFFFAOYSA-N 374.824 5.058 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 257348856 JKMWTLBCBAHXAC-BINTUVGKSA-N 374.653 7.079 0 50 FKAA Fc1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1 632033 YCOOGVUXVXEMJG-UHFFFAOYSA-N 361.445 5.060 0 50 FKAA aggregator O=C(Nc1sc2c(c1CN1CCCCCC1)CCCC2)c1ccccc1 753455 RLTHLZGRQJJFHO-UHFFFAOYSA-N 368.546 5.255 0 50 FKAA Fc1ccc(C2=CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 756600 GGSUBEWMXXHWET-UHFFFAOYSA-N 367.851 6.028 0 50 FKAA C(=C/c1ccccc1)\CSc1nnc(-c2ccncc2)n1-c1ccccc1 2287072 YIYNISGBZIUCAR-JXMROGBWSA-N 370.481 5.135 0 50 FKAA CCCn1c(Cc2ccccc2)nnc1SCc1ccc2ccccc2c1 2838334 YRKCLTKAGAUGQX-UHFFFAOYSA-N 373.525 5.724 0 50 FKAA O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccco1 2982046 LSXUDXDJAGKCIB-UHFFFAOYSA-N 373.195 5.647 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(C(C)=O)=CC[C@H]32)C1 4529779 MZWRIOUCMXPLKV-VNKRGGKPSA-N 356.506 5.006 0 50 FKAA biogenic CCCCC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 4590232 QMDIZEWVDJAUDA-UTKZUKDTSA-N 365.473 5.209 0 50 FKAA O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1 641488 SXSGVHJZJZZDDB-VQTJNVASSA-N 369.873 5.022 0 50 FKAA CC[C@H](c1nc2ccccc2n1C)C(O)(c1ccccc1)c1ccccc1 753532 QJGWXTULIQZJSO-HXUWFJFHSA-N 356.469 5.003 0 50 FKAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 848899 BIOFSVSQNBXLQF-CSKARUKUSA-N 358.397 5.357 0 50 FKAA Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 937145 SQUPVMBDTJDOQT-WEVVVXLNSA-N 350.643 5.063 0 50 FKAA O=C1N(c2ccccc2)[C@H](c2ccc(Br)cc2)C12CCCC2 1120693 RSZUXRAXGGIPGI-QGZVFWFLSA-N 356.263 5.097 0 50 FKAA CC(=O)Nc1ccc2nc(SCc3ccc(C(C)(C)C)cc3)sc2c1 1147456 OMVMWYOMEHJQCA-UHFFFAOYSA-N 370.543 5.845 0 50 FKAA CCC(=O)N(c1nc(-c2ccc(C)cc2)c(C)s1)c1ccccc1OC 1148895 OEWOKKLNIZVZSH-UHFFFAOYSA-N 366.486 5.510 0 50 FKAA Cc1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 1326426 SHWWZAREOZRFLD-UHFFFAOYSA-N 351.475 5.016 0 50 FKAA Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1 4854033 JIYYHRHLIIVOHY-SFHVURJKSA-N 373.283 5.807 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@@H](c1ccccc1)O2 5025451 JRDLQYGIXLGAFV-FXAWDEMLSA-N 350.805 5.175 0 50 FKAA Cc1ccccc1-c1nc2cc(NC(=O)/C=C\c3ccccc3)ccc2o1 15659756 UIOKAQLDEFQDCD-KAMYIIQDSA-N 354.409 5.455 0 50 FKAA CC(C)c1cc([C@H]2CCCN2Cc2ccc3cccc(Cl)c3n2)no1 216548142 SXONIKHXLYATQF-GOSISDBHSA-N 355.869 5.337 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@H]3CC[C@@]12C 257349894 SFBMPHLOQAKIBY-RXJAWACHSA-N 370.665 8.274 0 50 FKAA O=C(Nc1cccc2c1CCCC2)N1c2ccccc2Sc2ccccc21 638621 MMSFEGSUGUNUET-UHFFFAOYSA-N 372.493 6.400 0 50 FKAA Cc1cc(C)cc(Nc2nc(Cl)nc(Nc3cc(C)cc(C)c3)n2)c1 719583 LWVYCSWVNRFCID-UHFFFAOYSA-N 353.857 5.246 0 50 FKAA O=C(NCc1ccccc1Cl)c1ccccc1SCc1ccccc1 3000761 PQRSMXZYQALTDF-UHFFFAOYSA-N 367.901 5.562 0 50 FKAA COc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1 18325081 WQKMPDKUBDROEM-UHFFFAOYSA-N 358.466 6.229 0 50 FKAA CC(C)=Cc1c(-c2ccccc2)ncn1Cc1nc(C)cc(C(F)(F)F)n1 65470218 QYCRSTNGCOAWAK-UHFFFAOYSA-N 372.394 5.139 0 50 FKAA CCCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CCCc2cccnc21 242178809 XBASAYZSBQIWCF-ZCNNSNEGSA-N 368.908 5.155 0 50 FKAA CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1 248172044 SOLQDJUTBJEPAR-OPMHRUBESA-N 352.484 7.374 0 50 FKAA C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C1 672018 XYNIAIRVIXSOEM-GOSISDBHSA-N 365.517 5.435 0 50 FKAA CC[C@@H]1CCCCN1C(=O)Oc1c(Cl)cc(Cl)c2cccnc12 973870 JISGYVJAGUQLFI-LLVKDONJSA-N 353.249 5.305 0 50 FKAA COc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(OC)c1 1119147 XCASEROVOXTIGX-UHFFFAOYSA-N 356.466 5.595 0 50 FKAA Cc1cccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c1 1893482 HNGRAORUCDATBE-UHFFFAOYSA-N 356.421 5.656 0 50 FKAA C[C@H](NCC[C@H](c1ccc(F)cc1)c1ccco1)c1ccc(Cl)cc1 4310961 JNVARXLKKHHXCB-MGPUTAFESA-N 357.856 5.945 0 50 FKAA O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccc(F)cc1 8743629 LQIHNUJPBMXHFI-UHFFFAOYSA-N 356.466 5.002 0 50 FKAA Cc1c(COC(C)C)cccc1NCc1nnc(-c2cccc(Cl)c2)o1 133999425 SAWNDVUTCHSTPH-UHFFFAOYSA-N 371.868 5.236 0 50 FKAA COC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 145493156 GNTBUPLEEABTEM-UHFFFAOYSA-N 353.443 5.037 0 50 FKAA CCCC[C@@H](c1cccnc1)n1ccnc1-c1cccc(CC(F)(F)F)c1 1857703879 UWWFKKPBKQTSLR-IBGZPJMESA-N 373.422 5.830 0 50 FKAA Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3F)sc2c1 672049 PLMMICFESBVNDA-UHFFFAOYSA-N 354.233 5.908 0 50 FKAA COc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 1476592 CILOGBOCWWLCFE-UHFFFAOYSA-N 360.529 5.131 0 50 FKAA Cc1cccc(OP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)c1 1672974 RMLPZKRPSQVRAB-UHFFFAOYSA-N 368.369 6.257 0 50 FKAA C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(c2noc3cc(F)ccc23)CC1 329800484 YHNGQHJUFLAFBC-ZDUSSCGKSA-N 371.456 5.193 0 50 FKAA Cc1ccc(CSc2ccccc2NC(=O)C[C@@H]2CCCOC2)cc1 952872857 QJLVFLAMOPQLNT-SFHVURJKSA-N 355.503 5.043 0 50 FKAA COc1ccccc1-c1ccc([C@H](C)NCCCSC(F)(F)F)cc1 2325821986 SSHBVMVNKVZVGR-AWEZNQCLSA-N 369.452 5.656 0 50 FKAA CCCN(CCC)C(=O)c1cc(-c2ccc(CC)s2)nc2ccccc12 651179 NGXMVHACQORRGM-UHFFFAOYSA-N 366.530 5.788 0 50 FKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 651245 DRWRWDZAKRKXSY-VIFPVBQESA-N 360.693 5.766 0 50 FKAA Cc1ccc(-c2nn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 1072437 BRXKTCUVRGMMMU-UHFFFAOYSA-N 361.876 5.768 0 50 FKAA COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2Cl)n1 1117531 OMDASASKRFUMLM-UHFFFAOYSA-N 363.804 5.128 0 50 FKAA Cc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2)c(C)c1C 1156983 RCHCAKAPMKYFNV-UHFFFAOYSA-N 352.659 5.280 0 50 FKAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cccs1 1207836 DHJAHQUPMULFRK-UHFFFAOYSA-N 354.818 5.462 0 50 FKAA COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccccc1 1229320 VSMXCLYYLGZHET-UHFFFAOYSA-N 367.876 5.848 0 50 FKAA O=C(c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(F)(F)F 2126582 ZMERIUXSISCYDY-UHFFFAOYSA-N 367.754 5.119 0 50 FKAA Cc1nn2c(N3CCCC3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 2404859 FYEMSKUCVZTCMR-UHFFFAOYSA-N 368.912 5.256 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 13517319 AQYWHUJCPVLQLO-FSAHKVHBSA-N 371.524 5.414 0 50 FKAA C=C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612483 SCZFJLZMTKPHEI-QPRDTCLJSA-N 354.534 5.993 0 50 FKAA C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@@]12C 257348557 GXQXPGFEGWVXMR-WWZQEMKXSA-N 360.582 5.191 0 50 FKAA FC(F)(F)c1cnc(-c2csc(Nc3ccccc3)n2)c(Cl)c1 263639848 LVKMMVKXZKUTIB-UHFFFAOYSA-N 355.772 5.621 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NOCCO 936069291 ANMKTCMIIFBOGG-AVHBIOJASA-N 363.542 5.172 0 50 FKAA CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1 2549312 RGPDNCKRMFCKFJ-WOJGMQOQSA-N 355.481 6.303 0 50 FKAA Cc1cccc(C(=O)Oc2ccc(-c3nccc(-c4cccs4)n3)cc2)c1 4060654 CUYCHHMSFKLUNS-UHFFFAOYSA-N 372.449 5.400 0 50 FKAA O=C(Nc1cccc(Cl)c1)c1sc2ccccc2c1Br 4542607 AYLFJNKOEHUYSB-UHFFFAOYSA-N 366.667 5.570 0 50 FKAA Cc1ccc(C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)s1 4872367 JUOSMRBLYHMDHI-UHFFFAOYSA-N 372.559 5.524 0 50 FKAA Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccccc3F)C2)cc1 5008088 XSIXCMMFNTWELS-OAQYLSRUSA-N 368.814 5.974 0 50 FKAA CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1[C@H](C)CC 5336995 QFSPYTBQZVTOJV-GOSISDBHSA-N 360.477 5.456 0 50 FKAA O=C(c1ccsc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)o1 253432737 NGUAXOGOZBYHAG-GFCCVEGCSA-N 362.863 5.048 0 50 FKAA COc1nc2ccccc2cc1COC(=O)c1ccc(C)c2ccccc12 2325869032 WNNDFGJURTWRIM-UHFFFAOYSA-N 357.409 5.062 0 50 FKAA Cc1ccc(C)c(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 625060 OMCQUIMRNKUCFO-UHFFFAOYSA-N 350.270 6.077 0 50 FKAA Cc1nc2cc(NCc3ccc(Cl)cc3)ccc2n1Cc1ccccc1 845783 OQUHEBWXJKNTMJ-UHFFFAOYSA-N 361.876 5.659 0 50 FKAA COc1ccccc1C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C 869155 XLVZJSWQXQBNMM-DYESRHJHSA-N 372.468 5.287 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(Cl)c1 1143873 PCNRNQGQEZDASS-UHFFFAOYSA-N 363.288 5.544 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(F)cc1 1176811 QEXZHCMJRJVUMH-UHFFFAOYSA-N 374.868 5.807 0 50 FKAA Cc1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1C 1807527 XKZSLJZDBNLCIY-UHFFFAOYSA-N 359.860 6.311 0 50 FKAA O=C(Nc1cc(F)c(F)cc1Cl)Nc1cccc(Cl)c1Cl 2190231 HETKPQBQMSNAIC-UHFFFAOYSA-N 351.567 5.569 0 50 FKAA C[C@H](NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 4028039 GUYRJBUAYYRZRL-PMOQBDJRSA-N 351.534 5.716 0 50 FKAA biogenic Clc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c(Cl)c1 4075696 NMDJQLANCDFIFN-UHFFFAOYSA-N 366.251 6.347 0 50 FKAA Fc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1 4889405 ZTXZEZYXZUPZBV-OAQYLSRUSA-N 350.824 5.835 0 50 FKAA c1ccc2c(c1)OC1(CCCC1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 5740235 KOOOCPPGGIKIKX-JOCHJYFZSA-N 354.453 5.654 0 50 FKAA CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13330095 UUDJTAQIXDXNGA-NSHDSACASA-N 353.249 5.275 0 50 FKAA FC(F)(F)c1nc(N2CCC(Cc3ccccc3)CC2)c2ccccc2n1 71195421 MGCQJTIZBHEOSV-UHFFFAOYSA-N 371.406 5.108 0 50 FKAA ClC1=C(Cl)[C@@]2(Cl)[C@H]3CCCCC[C@@H]3[C@@]1(Cl)C2(Cl)Cl 101022193 HQYVDLQNJILNTR-NIUASQORSA-N 368.946 6.028 0 50 FKAA Nc1c(C(=O)C2CC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 711300 UWBCHNUFEKEGCH-UHFFFAOYSA-N 368.405 5.219 0 50 FKAA Cc1cc(=O)oc2cc(O[C@H](C(=O)c3ccccc3)c3ccccc3)ccc12 1120341 XLGCNYXFXGFCDE-DEOSSOPVSA-N 370.404 5.104 0 50 FKAA O=C(CSCc1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 1209417 TZSQVXMBJHIPAC-UHFFFAOYSA-N 360.693 5.519 0 50 FKAA c1ccc(-c2ccc(-c3[nH]c(-c4ccco4)nc3-c3ccccc3)cc2)cc1 1214251 GITPXJMDVVLWFY-UHFFFAOYSA-N 362.432 6.671 0 50 FKAA Cc1ccc(-c2nnc(Sc3nc4ccccc4o3)c3ccccc23)cc1 1215945 NKYLZJFZGPCWSC-UHFFFAOYSA-N 369.449 5.898 0 50 FKAA C[C@@H]1CCc2nc(NC(=O)Nc3ccc(Cl)cc3Cl)sc2C1 2852452 UCLBMZSMHUHONW-MRVPVSSYSA-N 356.278 5.219 0 50 FKAA CCOc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 2854073 BFTDYDUCVZIKSJ-UHFFFAOYSA-N 356.535 6.141 0 50 FKAA O=C(Nc1ccccc1OC(F)(F)F)c1sc2ccccc2c1Cl 2970315 URCOXHFPCMWSFG-UHFFFAOYSA-N 371.767 5.706 0 50 FKAA CC[C@]1(C)C[C@](CCNCc2ccccc2)(c2ccc(C)cc2)CCO1 4028085 ZIRNGNXKDWRMQW-DNQXCXABSA-N 351.534 5.392 0 50 FKAA biogenic CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(Oc3ccncc3)c2)c1 494633618 OKSUTBROAXFFBG-UHFFFAOYSA-N 362.429 5.129 0 50 FKAA Cc1ccc(NC(=O)Cc2coc3cc(Cl)ccc23)cc1-c1ncco1 1875329535 BILQOFFDRCDSCI-UHFFFAOYSA-N 366.804 5.231 0 50 FKAA CCN(CC)CCOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 537813 TXOKWXJQVFUUDD-UHFFFAOYSA-N 360.910 5.337 0 50 FKAA in-man CSc1ccc(Sc2ccccc2Br)c(NC(C)=O)c1 690106 VLEYFOVOXARRNF-UHFFFAOYSA-N 368.321 5.281 0 50 FKAA COc1ccccc1NC(=O)c1ccc(COc2ccccc2Cl)cc1 999773 VQDDNWQYDQDIGV-UHFFFAOYSA-N 367.832 5.180 0 50 FKAA Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 1134010 LQOIQOFQWHDDLP-LBPRGKRZSA-N 371.786 5.382 0 50 FKAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 1208268 IHFLIZIDZJKTKH-VGOFMYFVSA-N 374.827 5.800 0 50 FKAA O=C(Nc1cccc(Cl)c1)OCCOc1ccc(Cl)cc1Cl 1676304 KXQZQDGNUFBVLQ-UHFFFAOYSA-N 360.624 5.274 0 50 FKAA CC[C@@H]1CCCCN1Cc1nc(C(c2ccccc2)c2ccccc2)no1 12315430 QTFSIXPHZOCLMZ-HXUWFJFHSA-N 361.489 5.014 0 50 FKAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3cc(C)cc(C)c3)c2C)c1 13331438 KHJZWARBCUGXOR-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA Cc1ccc(-c2c(C)nn3c(N[C@H](C)c4ccccc4)cc(C)nc23)cc1 27585828 ZSXJSRDYIIRVJS-QGZVFWFLSA-N 356.473 5.495 0 50 FKAA CCOc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 36352190 MKKPUSJWXHOZGO-VWNXMTODSA-N 370.452 5.328 0 50 FKAA COc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)c1 64984529 NMPPEEBDOQXMNI-LJQANCHMSA-N 358.869 5.498 0 50 FKAA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](C1CCCCC1)C2=O 253596639 UJSMXKNMJUHGOA-XEPNYHEDSA-N 370.577 5.686 0 50 FKAA Cc1cccc(C(C)C)c1NC(=O)COc1ccc(Cl)cc1Cl 942039 FJDCIMSMWMDWMQ-UHFFFAOYSA-N 352.261 5.443 0 50 FKAA CCCC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 2207670 KQRNFZDKZGTCJL-XIKOKIGWSA-N 364.898 5.509 0 50 FKAA Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 2783748 DHSPXPWPQLBGAU-NEPJUHHUSA-N 350.171 5.159 0 50 FKAA Cc1ccc(S(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 2913582 UAHATBRTDRJWTE-UHFFFAOYSA-N 374.914 5.632 0 50 FKAA FC(F)(Cl)Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 3672087 VFTVOYWIKJEHLV-UHFFFAOYSA-N 355.171 5.800 0 50 FKAA COc1ccc2ccccc2c1-c1c(OC(C)(C)C)ccc2ccccc12 4557367 XXBSDOXMVXPWDO-UHFFFAOYSA-N 356.465 6.846 0 50 FKAA Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4854019 UBVXHUKPVXAOFV-JTHBVZDNSA-N 374.871 5.891 0 50 FKAA CSc1ccc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)cc1 12836566 WXTCKBZKPIESDL-UHFFFAOYSA-N 368.546 5.039 0 50 FKAA CC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2 20573059 RFZJXIVEZPFYJG-RWENRRORSA-N 352.522 5.292 0 50 FKAA Cc1nn(-c2ccc(F)cc2)c2nc(-c3cccs3)cc(C(F)F)c12 20604264 ITGCMXFZQRXMDG-UHFFFAOYSA-N 359.376 5.534 0 50 FKAA Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(Br)cc1 36621050 MXWFCPYNPDCRCA-QGZVFWFLSA-N 359.267 5.127 0 50 FKAA Fc1ccc2nc([C@@H]3CCCN3Cc3cc(C4CCCCC4)no3)[nH]c2c1 1506401609 FGBLEBNZHPKBBV-FQEVSTJZSA-N 368.456 5.075 0 50 FKAA Cc1c(Cl)ccc(CNc2ccc(Oc3cnn(C)c3)cc2)c1Cl 2325824648 LEEKSZVPONCMLT-UHFFFAOYSA-N 362.260 5.440 0 50 FKAA c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1 621839 IYDYVVVAQKFGBS-UHFFFAOYSA-N 357.369 5.249 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H]1c1ccc(Cl)cc1 653038 SDJUYLORCDWAOA-QWHCGFSZSA-N 357.734 5.240 0 50 FKAA CC(=O)c1sc2ccccc2c1OC(=O)c1ccc(-c2ccccc2)cc1 704085 VEBRRAFFEMKRBG-UHFFFAOYSA-N 372.445 5.990 0 50 FKAA Fc1ccc(CCNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 2425178 PFCSZHHSEDNFJU-UHFFFAOYSA-N 365.477 5.098 0 50 FKAA O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 2520618 RQQIPOKFAGATAP-UHFFFAOYSA-N 373.077 5.441 0 50 FKAA CCCC[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 2827447 YKVVWVOVKQYLPQ-LLVKDONJSA-N 357.322 5.043 0 50 FKAA CC(C)(C)C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 2894150 VATAZCFYHCMRGJ-UHFFFAOYSA-N 368.487 5.432 0 50 FKAA Cc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCC4)ncnc32)cc1 2974778 VODVBSGOAZSFFA-UHFFFAOYSA-N 368.484 5.750 0 50 FKAA COC(=O)c1ccccc1N[C@@H]1O[C@]2(C)CCCC(C)(C)[C@@H]2CC1(C)C 22017445 PQVLDRKTOORATP-LRXVAGHRSA-N 359.510 5.243 0 50 FKAA CCOC(=O)c1cc(C2CCCC2)n(Cc2ccc(-c3ccccc3)cc2)n1 1875343363 YVLVDPCSBNVNAE-UHFFFAOYSA-N 374.484 5.433 0 50 FKAA CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 997339 WKRLZHKGMADITE-NRFANRHFSA-N 361.466 5.361 0 50 FKAA Cc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1225603 ONCQDEJVEVRUNG-QHCPKHFHSA-N 354.453 5.387 0 50 FKAA Cc1cccc(OP(=O)(NCc2ccccc2)Oc2cccc(C)c2)c1 1862449 NCRVVMWPMXNGQR-UHFFFAOYSA-N 367.385 5.659 0 50 FKAA CCc1c2c(n(C)c1-c1ccccc1)[C@H](c1ccccc1)Oc1ccccc1-2 2472500 ALUSFAVGXGVGDK-SANMLTNESA-N 365.476 6.403 0 50 FKAA Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 2783747 DHSPXPWPQLBGAU-RYUDHWBXSA-N 350.171 5.159 0 50 FKAA CCSc1ccccc1C(=O)Nc1ccc(Br)c(C)c1 2855402 CQZAWVAWSIZSPR-UHFFFAOYSA-N 350.281 5.122 0 50 FKAA N=C1S/C(=C\c2ccco2)C(=O)N1c1ccc(Oc2ccccc2)cc1 4872499 ONEHSTAXELEEHD-JEFZPDFESA-N 362.410 5.128 0 50 FKAA Cc1cccc(C)c1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 13326579 IFWSOJLABCVSRD-UHFFFAOYSA-N 358.800 5.312 0 50 FKAA Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccs2)c1 19787771 OVLJOHISSROMIX-QFIPXVFZSA-N 360.482 5.083 0 50 FKAA CCSc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(OC)cc1OC 96151417 BNGHJTXJKZAIHX-CQSZACIVSA-N 374.506 5.041 0 50 FKAA CO[C@@H](C(=O)N(C)[C@@H](C)c1cccc2ccccc12)c1cc(F)cc(F)c1 2325828400 GEWSWXPEDHNTJO-LHSJRXKWSA-N 369.411 5.025 0 50 FKAA Cc1occc1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 995275 WTEXKBNBYQITKJ-UHFFFAOYSA-N 353.230 5.271 0 50 FKAA COc1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 1166381 MLVQZKOPQFFOMP-XSFVSMFZSA-N 363.844 5.528 0 50 FKAA CCCCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 1904811 GMJFNNNSNDVVLY-UHFFFAOYSA-N 368.385 5.209 0 50 FKAA CC1=CC(C)(C)N(C)c2ccc([C@]3(C)CC(C)(C)N(C)c4ccccc43)cc21 3880320 NJKVMHDSHINWMM-SANMLTNESA-N 374.572 6.243 0 50 FKAA Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4812228 QYNJLGCBYWQOCY-RBBKRZOGSA-N 360.844 5.582 0 50 FKAA Cc1sc(-n2cccc2)c([C@H](C)NC(=O)Nc2ccccc2Cl)c1C 6750466 LPDRYYHIUADJNR-ZDUSSCGKSA-N 373.909 5.692 0 50 FKAA aggregator O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccc(Cl)cc1 8856422 NORFDGRVZGJPFT-UHFFFAOYSA-N 372.921 5.517 0 50 FKAA CCCn1c(S)nnc1-c1ccc(COc2cc(C)ccc2C(C)C)o1 17076138 OPHYRLVJDCRDGQ-UHFFFAOYSA-N 371.506 5.248 0 50 FKAA CCCN1CCOc2c(cc(-c3csc4ccccc34)cc2OC)C1 23398756 GCOSIUOQWFLBMA-UHFFFAOYSA-N 353.487 5.181 0 50 FKAA CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 100819613 GLGSPOATOUUCTE-FZONSQQESA-N 354.490 5.063 0 50 FKAA Cc1ccc(-c2cs/c(=N\Cc3cccnc3)n2-c2ccccc2)cc1 102317779 HMAFVZVUSJDSNI-GYHWCHFESA-N 357.482 5.010 0 50 FKAA CC[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1 245333765 AOUWTGIEFIEWFQ-XPGKHFPBSA-N 371.524 5.719 0 50 FKAA Cc1cc2nc(-c3cc(NC(=O)C(F)(F)F)ccc3Cl)oc2cc1C 1848442290 RJQFVSFZQMWRQY-UHFFFAOYSA-N 368.742 5.266 0 50 FKAA Cc1cccc(NC(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)c1C 718857 QAWRFOXLHBKIGH-UHFFFAOYSA-N 364.059 5.564 0 50 FKAA COc1cccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 1210236 YGNAXYHMMQQKPS-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)Oc1ccc(C2CCCCC2)cc1 2172982 JSTJHWVFUHWUDG-UHFFFAOYSA-N 363.379 6.364 0 50 FKAA O=C1N(c2ccc(Br)cc2)[C@@H](c2cccs2)C12CCCC2 2841364 QQVXAVMORVRWMB-HNNXBMFYSA-N 362.292 5.159 0 50 FKAA CCc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 2913107 DNFYKOVKJZIUDV-UHFFFAOYSA-N 372.493 6.908 0 50 FKAA CCC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 13616386 LSHZPAUPRUOGLC-IEBWSBKVSA-N 371.278 5.119 0 50 FKAA Cc1cc(-c2c(-c3ccccc3)ncn2[C@@H](CC(C)C)c2cccnc2)n[nH]1 67676787 CQUXHEGAHYNUKT-NRFANRHFSA-N 371.488 5.279 0 50 FKAA Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3CC[C@@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 252327529 NXNYJRGLJXXUIN-JJTUDDRGSA-N 352.305 5.098 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC=CC[C@]4(C)[C@@H]3CC[C@@]12C 257348075 BDJOURVDARTIRJ-PWGWTGGKSA-N 368.649 8.194 0 50 FKAA CC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2ccccc2N(C)C)cc1 426697616 YCDNLDAEYXVXEL-QFIPXVFZSA-N 373.500 5.038 0 50 FKAA CC(C)COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 629809 GBQNXDVFEFZGOR-UHFFFAOYSA-N 366.244 5.059 0 50 FKAA Clc1ccc(-c2nnc(-c3ccc(Br)o3)o2)c(Cl)c1 995030 FFSFGGVZNFFHMF-UHFFFAOYSA-N 359.994 5.066 0 50 FKAA O=C(c1cccs1)c1cn(CCOc2ccccc2F)c2ccccc12 1112364 NLNAGYYZVXKDRY-UHFFFAOYSA-N 365.429 5.152 0 50 FKAA Cc1cccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 2079404 XSOXDJPDJMKRED-UHFFFAOYSA-N 373.839 6.083 0 50 FKAA CCCCc1cc(=O)oc2c(C)c(OCc3cccc(OC)c3)ccc12 2119217 KMQHZAMKVJZOSB-UHFFFAOYSA-N 352.430 5.032 0 50 FKAA biogenic O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1 2573579 NXEQUVVUOMSTNF-UHFFFAOYSA-N 372.679 5.122 0 50 FKAA Nc1c(-c2ccc(F)cc2)cnc2cc(-c3ccc(Cl)c(Cl)c3)nn12 2597337 POFLMXXAHZOMOV-UHFFFAOYSA-N 373.218 5.091 0 50 FKAA Cc1ccc2c(C(=O)NC3CCCCCC3)cc(-c3cccnc3)nc2c1C 2867485 LPCFIDTZCXXCGX-UHFFFAOYSA-N 373.500 5.366 0 50 FKAA CC(C)(C)NC(=O)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5837924 XHUWXJWHOZMXSB-QGZVFWFLSA-N 362.300 5.214 0 50 FKAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1oc2ccccc2c1C 253407417 JWCKMSQGZOOFDL-IBGZPJMESA-N 374.440 5.039 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 253612224 CRRKVZVYZQXICQ-JPTGAJLTSA-N 358.522 5.086 0 50 FKAA C[C@H](Oc1ccc(Cl)nc1)c1nc([C@H](C)Sc2ccccc2)no1 1875331328 FKUCILCNCUTOIA-RYUDHWBXSA-N 361.854 5.111 0 50 FKAA Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c(C)c1 625683 CQVPLIMTIOVYJR-CQSZACIVSA-N 356.516 5.341 0 50 FKAA Cc1ccc([C@H]2C[C@H](c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 634033 GFAWITCFSGDEFK-DHIUTWEWSA-N 366.468 5.400 0 50 FKAA S=C(Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl 640872 CPXVGYZQIDRTCS-UHFFFAOYSA-N 366.100 6.109 0 50 FKAA COc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1O 1456442 DPKLPMNMJJRIAS-UHFFFAOYSA-N 354.456 5.248 0 50 FKAA Cc1c(C)c(C)c(CSCCC(=O)c2ccc3c(c2)OCO3)c(C)c1C 2531693 ZDTISFNEZRWYMB-UHFFFAOYSA-N 370.514 5.464 0 50 FKAA O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 2793758 LRMBNHPVNYDVRS-OLZOCXBDSA-N 372.198 5.337 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc(Cl)ccc1Cl 5094231 CMLDUYCPSHLBRN-UHFFFAOYSA-N 356.208 6.145 0 50 FKAA CC1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 5499994 GHVWGKZMVAUNOG-FQEVSTJZSA-N 362.860 5.773 0 50 FKAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(C(C)C)cc2)s1 5950066 TVUOXWVAZSMJAN-UHFFFAOYSA-N 362.520 5.029 0 50 FKAA CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1CCCC1 58583846 ONIVXONBIIIQQH-ZDKIGPTLSA-N 351.575 5.617 0 50 FKAA in-vitro CCc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 868377 PWEFGDHDHUOYQD-UHFFFAOYSA-N 360.388 5.449 0 50 FKAA aggregator COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 950168 BKIFSNKILYKPAG-UHFFFAOYSA-N 359.640 5.608 0 50 FKAA Cc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1073332 OSEQOPJNYYPLMC-UHFFFAOYSA-N 356.400 5.602 0 50 FKAA Cc1ccc2c(Cl)c(C(=O)NCc3ccc(Cl)cc3)sc2c1 1200978 XPCDIAQASMROHW-UHFFFAOYSA-N 350.270 5.447 0 50 FKAA CCC(=O)Oc1c(Sc2ccc(Cl)cc2)c(C)nn1C(C)(C)C 2718620 HHUKSHGYHILSMI-UHFFFAOYSA-N 352.887 5.067 0 50 FKAA O=C(Nc1nc2ccccc2s1)c1ccc(-c2cccc(Cl)c2)o1 4093696 SODZKXCEKFBTMN-UHFFFAOYSA-N 354.818 5.462 0 50 FKAA CC1CCN(c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1 4541722 LIXDQLBINDHSRE-UHFFFAOYSA-N 358.529 6.436 0 50 FKAA Cc1ccc(/C=C2\CCCC3=C2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 8682439 IJILAXXAWSYFLJ-CKNGIZQFSA-N 360.526 5.344 0 50 FKAA aggregator CCc1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(C)n2)o1 20255344 AWUVDUXLGATYQP-XMMPIXPASA-N 371.484 5.174 0 50 FKAA CC[C@@H]1CCc2c(sc3ncn4nc([C@@H]5C[C@H]5c5ccccc5)nc4c23)C1 245239319 HROCJKXDDUZIEW-XOKHGSTOSA-N 374.513 5.125 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1C=C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C 257349925 SRDSINWZFIYKJZ-RXJAWACHSA-N 370.665 8.274 0 50 FKAA Fc1ccccc1CSc1nnc(-c2ccccc2)n1-c1ccccc1 1143419 WTSPJZIAIZAONF-UHFFFAOYSA-N 361.445 5.366 0 50 FKAA Cc1cc(C)c2oc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1 1216716 XOHZMKXYYNAPOK-UHFFFAOYSA-N 356.425 5.293 0 50 FKAA O=C(NC1CCCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 2184326 UHZWUTCENKCQPB-UHFFFAOYSA-N 373.949 6.085 0 50 FKAA C[C@H](N[C@@H]1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21)c1ccccc1 2973808 DNPTZGNAYOZYBV-AVRWGWEMSA-N 366.508 6.563 0 50 FKAA CCCCc1cc(=O)oc2cc(O[C@@H](C)c3ccccc3)c(Cl)cc12 2995531 LZQFIJFJWDIUJA-AWEZNQCLSA-N 356.849 5.929 0 50 FKAA Fc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1 4502329 TXOBGMSBFQUGCL-OAQYLSRUSA-N 350.824 5.835 0 50 FKAA Fc1ccccc1/C=C1\CCCC2=C1N=C(S)N[C@@H]2c1ccccc1F 13519995 YOEKQKPKLQYUDG-CMQXMCPJSA-N 368.452 5.417 0 50 FKAA Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 28292940 BAVJQIPDNYSLBS-UHFFFAOYSA-N 354.812 5.030 0 50 FKAA CCc1nc(C)c(-c2c(-c3ccccc3)ncn2[C@@H](C)c2ncccc2C)[nH]1 67673346 CEPLTCOLBRVZBV-KRWDZBQOSA-N 371.488 5.124 0 50 FKAA Brc1ccc(Br)c2sc(-c3ccccc3)nc12 95670840 GRDUECATKOOADC-UHFFFAOYSA-N 369.081 5.488 0 50 FKAA Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1 1875334424 NNBAZKOESMUGEL-UHFFFAOYSA-N 367.861 5.329 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 726929 GMAFSKUKRBCUPM-PELKAZGASA-N 353.076 5.523 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 826638 UKASJBZQOFNKHB-PRHODGIISA-N 353.076 5.523 0 50 FKAA Cc1ccc(-c2csc3ncnc(Nc4ccc(C(=O)O)cc4)c23)cc1 951864 XJONKSWKTASLQP-UHFFFAOYSA-N 361.426 5.109 0 50 FKAA COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 989594 BKHPPOBMRIZLHU-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA CC(C)[C@@H]1O[C@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OCC1(C)C 1080142 XAJYPHLAKZMLDJ-PZJWPPBQSA-N 371.452 5.174 0 50 FKAA Cc1ccc([C@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)s1 1209135 DTUQUOAEJNCWIJ-ZDUSSCGKSA-N 372.287 5.446 0 50 FKAA CCCCC(=O)N1c2c(C)cccc2[C@H](Nc2ccccc2C)C[C@H]1C 2294456 LIBNLSDLFDLODY-WIYYLYMNSA-N 350.506 5.772 0 50 FKAA Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2843325 GZIZCTVLROSBGY-NSHDSACASA-N 373.827 5.787 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)Nc2cccc(Cn3cccn3)c2)cc1 2859046 WGPSCCBXRWRUNW-MRXNPFEDSA-N 364.518 5.254 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 4845211 KZVIHYIIDMWEDM-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA COc1cc(CN2CCC[C@H]3CCCC[C@@H]32)ccc1OCc1ccccc1 4988632 IHNCFNGQGGJKIM-YADHBBJMSA-N 365.517 5.429 0 50 FKAA Cc1cccc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)n1 12143930 AFJMEAXPKHRZLZ-GOSISDBHSA-N 353.491 5.224 0 50 FKAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@H]3c3cc(C(C)C)on3)[nH]c12 91425615 HNFFHFSOWOJCBA-QGZVFWFLSA-N 365.477 5.182 0 50 FKAA O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 639128 GCUMFPPBESXLAF-UHFFFAOYSA-N 350.849 5.294 0 50 FKAA O=C(CSc1nc2ccccc2[nH]1)N(c1ccccc1)c1ccccc1 856944 RXSVOVXZMOUFPF-UHFFFAOYSA-N 359.454 5.020 0 50 FKAA O=C(O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 887822 PZGIBTDJKKBQHE-UHFFFAOYSA-N 362.410 5.220 0 50 FKAA Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2Cl)Nc2ncnn21 1111531 NYTZSXXJKUORDH-IRXDYDNUSA-N 359.260 5.040 0 50 FKAA COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2OC)cc1 4476917 PPFVPJURKOXUQW-JOCHJYFZSA-N 358.441 5.060 0 50 FKAA O=C(CSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1 4816037 WYNUJCRDPCZZLH-UHFFFAOYSA-N 364.401 5.004 0 50 FKAA Cc1ccc(CC[S@](=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cn1 16133974 IOGUAECADBDVGK-RUZDIDTESA-N 357.563 5.335 0 50 FKAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccccc5)(C4)C2)C3)cc1 100482522 UITFDYMBADDVIC-AGYDLCDTSA-N 359.513 5.149 0 50 FKAA O=C(NCc1ccc(Cl)cc1)[C@H](Sc1ccccc1)c1ccccc1 668753 WWWHGGCIDYSLER-HXUWFJFHSA-N 367.901 5.490 0 50 FKAA O=C(Nc1ccc(Cl)cc1)[C@H]1CC2c3ccccc3C1c1ccccc12 825778 FWQPVQKVNMEGDR-ORFBVSJDSA-N 359.856 5.576 0 50 FKAA C[C@@H](NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccccc1 1768777 ZXAAGXRBSQHFGY-LJQANCHMSA-N 373.496 5.269 0 50 FKAA Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 1787270 ILBRVBIZFSNMKJ-INIZCTEOSA-N 365.860 5.721 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 2979234 BNSCQGUFSCKDHT-UHFFFAOYSA-N 359.800 5.480 0 50 FKAA CCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 3830785 RSEPBGGWRJCQGY-ANZUNKEZSA-N 356.506 5.350 0 50 FKAA in-man O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccccc1F 4838580 MKMYVTOVFAIPRK-UHFFFAOYSA-N 364.401 5.060 0 50 FKAA CN(C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5342349 FDHUVAVEDLMIPD-UHFFFAOYSA-N 351.473 5.173 0 50 FKAA Cc1oc(-c2ccccc2F)nc1CN(C)Cc1nc2ccccc2s1 12304187 IXWIYPGRCXGNHY-UHFFFAOYSA-N 367.449 5.031 0 50 FKAA O=C(c1cccs1)N(Cc1ccc(OC[C@H]2CC=CCC2)cc1)C1CC1 15000135 KGLIVSUEQDFPCN-SFHVURJKSA-N 367.514 5.288 0 50 FKAA CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2c3ccc4c(c3CC[C@]21C)CCCC4 101125712 VLVSPITURLTIAR-YJHFSHLRSA-N 366.633 7.720 0 50 FKAA CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc4occc4c3)c2)C1 426410755 UYMJDHZJRDOYFG-OAQYLSRUSA-N 363.457 5.131 0 50 FKAA CCC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 819902 FLXZKXXLGLNOEG-DIFFPNOSSA-N 350.871 5.119 0 50 FKAA COc1ccc(-c2cc(C(=O)OCC(C)C)c3cc(Cl)ccc3n2)cc1 986121 HTHPLRKXPJTRGK-UHFFFAOYSA-N 369.848 5.377 0 50 FKAA CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(C)cc1 1172627 HRDQTBBZDJWQOZ-UHFFFAOYSA-N 350.487 5.632 0 50 FKAA Cc1sc2ncn(Cc3cccc(Cl)c3)c(=O)c2c1-c1ccccc1 2835153 XJXDFBTUIWJPJC-UHFFFAOYSA-N 366.873 5.135 0 50 FKAA Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2C)c(C)c1 4104303 SSJBGRWEJQQOOB-UHFFFAOYSA-N 352.478 5.058 0 50 FKAA CN(C1=NC(=O)[C@H](c2ccccc2)[C@@H](c2ccccc2)S1)c1ccccc1 5569853 FGCZHNAOOBAQQP-NHCUHLMSSA-N 372.493 5.277 0 50 FKAA Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1Cl 16624443 WEDZOZAWARQSFJ-UHFFFAOYSA-N 364.257 5.073 0 50 FKAA C[C@@H](Sc1nc2ccc(F)cc2n1C)c1cccc(C(F)(F)F)c1 1875327244 RGPXIMYITOXEEG-SNVBAGLBSA-N 354.372 5.585 0 50 FKAA O=C(Nc1ccccc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1102685 LDNHAXBOMZTZKF-UHFFFAOYSA-N 364.257 5.761 0 50 FKAA O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1 1191067 YFXHOQNZGIMNDR-ACCUITESSA-N 368.230 5.361 0 50 FKAA O=C1c2ccccc2N[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 1191274 JJJIITJTTXXLML-IBGZPJMESA-N 352.796 5.250 0 50 FKAA O=C(c1ccccc1)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 2512663 KVLAOHCWPAVIRK-UHFFFAOYSA-N 369.464 5.368 0 50 FKAA O=C(CCNc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 2522081 BIIPFPJTLBNAHZ-UHFFFAOYSA-N 372.184 5.153 0 50 FKAA Cc1oc(-c2ccsc2)nc1CN1CCCC[C@H]1c1ccc(F)cc1 11815074 TYIQPGTXJHULCV-IBGZPJMESA-N 356.466 5.578 0 50 FKAA O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1cccc2ccccc12 12376024 LGHGHDQNCORZBO-XMMPIXPASA-N 364.448 5.320 0 50 FKAA CC1(C)C[C@]2(C[C@]3(C1)Nc1ccccc1S3)Nc1ccccc1S2 18044499 BYMVEACBOPPAJZ-BGYRXZFFSA-N 354.544 6.025 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cc(O)ccc21 64858562 GMOJICNPAPPCSR-UHFFFAOYSA-N 357.453 5.921 0 50 FKAA in-vitro Cc1cc(-c2c(-c3ccccc3)ncn2[C@H](C)Cc2cnccn2)oc1C 65492905 UJHJTWWMHOKEGN-MRXNPFEDSA-N 358.445 5.021 0 50 FKAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2C)C1 71765348 ZRQZHALWQFFTRW-LJQANCHMSA-N 360.501 5.270 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)Oc1ccc(Cl)c2cccnc12 640587 KDKSSOHOVSPJRT-UHFFFAOYSA-N 367.619 5.806 0 50 FKAA Cc1ccc(-c2cc(C(=O)OCC(C)C)c3cc(Cl)ccc3n2)cc1 991100 QIRVSYCGRKFUAR-UHFFFAOYSA-N 353.849 5.676 0 50 FKAA C[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 1113379 OPXZDVZSTKCFRR-ZDUSSCGKSA-N 359.347 5.456 0 50 FKAA Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)O 1114591 JRJOPURIBFBFLL-UHFFFAOYSA-N 369.420 5.487 0 50 FKAA Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1 2736683 IXYUUFCZUMHEFD-UHFFFAOYSA-N 366.464 6.079 0 50 FKAA CC(C)c1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1 2774143 ZUIJEAPULNDKJA-OBGWFSINSA-N 355.481 5.729 0 50 FKAA O=C(CSCc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 2978543 REJOKQZOZMEILU-UHFFFAOYSA-N 373.949 5.055 0 50 FKAA O=C(Nc1ccccc1-c1ccccc1)C(c1ccccc1)c1ccccc1 2981407 KPBXTACZPKOLQD-UHFFFAOYSA-N 363.460 6.124 0 50 FKAA COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 5555213 RXIIOSXDKVZUAU-JTHBVZDNSA-N 374.415 5.077 0 50 FKAA Cc1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)c1 13331524 VYYMHFKKJQBUSE-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA Cc1cc(N[C@H](C)c2ccccc2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798905 JPTMOJSVZSQATI-OAHLLOKOSA-N 360.436 5.325 0 50 FKAA CCCN/C(=C\c1nc2c(ccc3ccccc32)s1)c1ccc(OC)cc1 101294344 HCFVHHOCHVXODO-HKWRFOASSA-N 374.509 5.956 0 50 FKAA Cc1ccccc1C(=O)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 170619405 PGLRXZMJSYIWSA-SFHVURJKSA-N 352.484 5.110 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 257348857 JKMWTLBCBAHXAC-LBMMOJSPSA-N 374.653 7.079 0 50 FKAA CCCSc1ccc(NC(=O)N(C)Cc2csc(C(C)C)n2)cc1 299756165 ILCUIWNNEURWEG-UHFFFAOYSA-N 363.552 5.433 0 50 FKAA Cc1ccccc1NC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCCC2 722371 WYAZSZIWEHNLHV-UHFFFAOYSA-N 370.518 5.172 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1 817474 RPKABBINFZHEQL-UHFFFAOYSA-N 372.424 5.378 0 50 FKAA c1ccc(CC2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 1661681 KJWBUEGRVTXADP-UHFFFAOYSA-N 363.530 5.029 0 50 FKAA Fc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1Cl 2352569 JOYVOVKNXVVODT-UHFFFAOYSA-N 362.901 5.131 0 50 FKAA CCC(=O)Nc1cc(C(=O)OCc2ccc(Cl)cc2Cl)ccc1C 2751335 NCVGZDBETLQKLQ-UHFFFAOYSA-N 366.244 5.007 0 50 FKAA CC[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H](C)c1ccccc1 2836900 BWOWZFNRZAJOEH-CZUORRHYSA-N 356.516 5.044 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc4nccnc4c3)ccc21 4811236 XKFXEZXHSGXELR-UHFFFAOYSA-N 366.424 5.010 0 50 FKAA CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 6048678 RXMOJBPBYPRQPX-XUZZJYLKSA-N 370.452 5.328 0 50 FKAA Cc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1C 8571148 LEHYXAGNWUVCDM-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA Cc1ccc(NC(=S)Nc2ccn(Cc3ccccc3C)n2)cc1Cl 8571198 CLKCUCGBIBKYBN-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 12194996 BYKUNAMVQPMIQN-FXAWDEMLSA-N 366.873 5.644 0 50 FKAA Brc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1 21982663 ABMCIJZTMPDEGW-UHFFFAOYSA-N 374.281 7.072 0 50 FKAA in-vitro Nc1c(-c2ccncc2)sc2nc(-c3cccnc3)cc(C(F)(F)F)c12 36359759 VTUIEJDPXMHPIR-UHFFFAOYSA-N 372.375 5.021 0 50 FKAA C[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl 169950624 RNTHWGPBLLUVLZ-ZANVPECISA-N 358.700 5.109 0 50 FKAA CN(CC[C@H]1CCCCO1)C(=O)Nc1ccccc1Oc1ccccc1F 299761125 RTGPTLZOOMROPP-MRXNPFEDSA-N 372.440 5.041 0 50 FKAA Cc1cc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)ccc1Cl 1875296568 DJUHQZKNAOTKGX-MRXNPFEDSA-N 365.860 5.196 0 50 FKAA COc1cccc2c1O[C@H](c1nc(-c3ccc(-c4ccccc4)cc3)no1)C2 1875342670 BWTGVVDLGQCQCM-FQEVSTJZSA-N 370.408 5.088 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Br)o1 672613 XNHYSHHREHCMNZ-UHFFFAOYSA-N 357.207 5.038 0 50 FKAA Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)c1 675583 QAZAUEVQULVYDK-UHFFFAOYSA-N 373.692 5.082 0 50 FKAA O=C(CSCc1c(Cl)cccc1Cl)NCCC1=CCCCC1 1121583 ZKAIGQIQFGMKHF-UHFFFAOYSA-N 358.334 5.233 0 50 FKAA COc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1Cl 1202543 YFAFCWYWWNBHKF-UHFFFAOYSA-N 361.681 5.464 0 50 FKAA Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccco2)cc1 2442179 DBBKAGKQFSRKAU-RMKNXTFCSA-N 373.481 5.641 0 50 FKAA O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccccc1F 2841928 CSIWVGFVRJIHJA-UHFFFAOYSA-N 374.440 5.869 0 50 FKAA O=C(c1cccs1)c1cn(CCCOc2ccccc2)c2ccccc12 2846691 MEMODPFUJWKXRB-UHFFFAOYSA-N 361.466 5.403 0 50 FKAA O=C(COc1ccc2ccccc2c1)Oc1ccc(-c2ccccc2)cc1 2994523 SMVVNGHFDQMLSU-UHFFFAOYSA-N 354.405 5.491 0 50 FKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2sccc2C)[C@H]3CCC1 5032427 ZCXISPYYFFWAEN-FQEVSTJZSA-N 350.531 5.603 0 50 FKAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@@H]1c1ccc(F)cc1 12580130 AGTVSKGVQAQFRR-HXUWFJFHSA-N 372.390 5.404 0 50 FKAA COc1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn23)cc1 23114907 CGBVMCQDAXHNQK-UHFFFAOYSA-N 358.445 5.272 0 50 FKAA O=C(Nc1nc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1)c1ccccc1 100522061 GZVNKLOQBPNGCE-RCRDTURJSA-N 372.921 5.225 0 50 FKAA CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@@H]1CCCc2cccnc21 170598907 XBASAYZSBQIWCF-VAMGGRTRSA-N 368.908 5.155 0 50 FKAA O=C(Nc1sc(-c2cccnc2)nc1-c1ccccc1)c1ccccc1 1857799418 AJSFCJKOQPKLJU-UHFFFAOYSA-N 357.438 5.124 0 50 FKAA Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 631185 IAPHSZIXFIJGEP-IRXDYDNUSA-N 359.260 5.040 0 50 FKAA CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(N(C)C)cc2)cc1 710800 QJXQGCWPHDRUGB-QHCPKHFHSA-N 371.484 5.086 0 50 FKAA Cc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)oc2ccccc12 861586 BMYZTNBGRQWJGD-UHFFFAOYSA-N 369.380 5.197 0 50 FKAA CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1cccc(F)c1 1108944 RSPXBOPDFRTXGE-UHFFFAOYSA-N 369.411 5.555 0 50 FKAA CC(C)N(C(=O)Cn1c(CC(C)(C)C)nc2ccccc21)c1ccccc1 1129094 XWRVRNXMPLUBJW-UHFFFAOYSA-N 363.505 5.067 0 50 FKAA C/C=C/C(=O)N1c2ccc(OC)cc2-c2c(ssc2=S)C1(C)C 1188453 NEGLFVTUHKEFIB-AATRIKPKSA-N 363.529 5.372 0 50 FKAA Cc1cc(C)cc(CSCC(=O)Nc2cc(Cl)ccc2Cl)c1 1191867 IHXISOATDJXHDC-UHFFFAOYSA-N 354.302 5.482 0 50 FKAA CCCOc1cc(O)c(-c2[nH]nc(C)c2Oc2ccccc2)cc1CC 4567540 IKFRYQZWFFQVKU-UHFFFAOYSA-N 352.434 5.234 0 50 FKAA O=C(c1csc2nc(-c3cccc(Cl)c3)cn12)N1CCCCCCC1 12446990 GMIIZWJJCHHREU-UHFFFAOYSA-N 373.909 5.123 0 50 FKAA C[C@@H]1CCO[P@@](=O)([C@@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)O1 15635818 HYYAJLCSNVTTHM-FWXBFDHOSA-N 367.769 5.175 0 50 FKAA CCCCCc1ccc(-c2ccc(I)cc2)cc1 82046893 NKDQJNFQJQGYPM-UHFFFAOYSA-N 350.243 5.691 0 50 FKAA CCOc1ccccc1-c1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 170600975 IZUGTBVWVYGKOG-UHFFFAOYSA-N 373.861 5.156 0 50 FKAA COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 245391983 SOLFGTIEYURABM-RCZQDCHWSA-N 361.557 5.467 0 50 FKAA O=C1C[C@@H](C2CCCCC2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263585938 NZQKICUQHAHPAW-IBGZPJMESA-N 358.485 5.696 0 50 FKAA biogenic Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OC[C@H](C)CC(C)(C)C)c1C 1875357702 STDIHBFJYOLLMZ-GFCCVEGCSA-N 367.555 5.579 0 50 FKAA CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)C(C)(C)C)cc12 634567 UCSPCKKZFKHKCN-UHFFFAOYSA-N 366.413 5.228 0 50 FKAA biogenic C[C@H](c1ccco1)N(C(=O)c1ccc(-c2ccccc2)cc1)c1ccccn1 636494 SRKYCBZSTVMGKE-GOSISDBHSA-N 368.436 5.750 0 50 FKAA Cc1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1C 682413 NCMHRJBFNVREGI-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA Cc1ccc(-c2noc(COc3cc(C)c(Br)c(C)c3)n2)cc1 1159536 CSOAUUHWZVXAPW-UHFFFAOYSA-N 373.250 5.003 0 50 FKAA CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 1177038 JEICUYHCYFVGLQ-UHFFFAOYSA-N 367.301 5.244 0 50 FKAA Clc1cc(Cl)cc(Nc2ncnc3sc4c(c23)CCCC4)c1 1776854 PXVHEXKTZFESIE-UHFFFAOYSA-N 350.274 5.621 0 50 FKAA CC(C)c1ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2c1 2841920 QDBSDYIAADRYRT-UHFFFAOYSA-N 366.310 5.867 0 50 FKAA Cc1ccc(NC(=O)Oc2cc(C)c(Br)cc2Cl)c(C)c1 4795835 OOGCVBGNERVZBC-UHFFFAOYSA-N 368.658 5.639 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253497609 XIIAYQZJNBULGD-BUSHEVSOSA-N 372.681 8.498 0 50 FKAA biogenic O=C(Nc1ccccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl 640991 XIJSGGCFPYKKRS-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA COc1cc(/C=C/C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1 951248 BICNWJLSXSBBCC-RVDMUPIBSA-N 373.452 5.235 0 50 FKAA CC(C)c1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 1200806 QIRLHWLTAUKREU-LFYBBSHMSA-N 366.461 5.725 0 50 FKAA Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c2ccccc2n1 1432791 PMWXBVVTEYJMFO-UHFFFAOYSA-N 355.319 5.279 0 50 FKAA COc1ccc([C@H](CC(=O)c2ccccc2)Sc2ccccc2N)cc1 754464 HWPQIBQOCNDZBR-QFIPXVFZSA-N 363.482 5.384 0 50 FKAA CCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 828044 NNLIRLDPIDPJJO-UHFFFAOYSA-N 358.397 5.146 0 50 FKAA COc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1Cl 1053872 RSZDLKWGGIUYPY-JTQLQIEISA-N 356.274 5.121 0 50 FKAA COc1ccc(C)cc1-n1sc2c(c1=S)-c1ccccc1NC2(C)C 1068695 MYRBOSIMZXSOPQ-UHFFFAOYSA-N 368.527 5.913 0 50 FKAA Cc1c(Cl)cccc1NC(=O)C1C(c2ccccc2)=C1c1ccccc1 1168274 AHTDOFZBLOOEDJ-UHFFFAOYSA-N 359.856 5.828 0 50 FKAA c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1 2386677 LCSNDSFWVKMJCT-UHFFFAOYSA-N 350.486 7.126 0 50 FKAA in-vitro Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCCCCC3)cc12 2759716 OYZUNCZNFIGNPT-UHFFFAOYSA-N 360.501 5.323 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2Cl)o1 4991187 OQXMSYACPDUCSB-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA CCN(CC)C/C=C/c1c(F)c(F)c(NCc2ccccc2)c(F)c1F 5077574 IXQGMSXRQUJQIL-DHZHZOJOSA-N 366.402 5.210 0 50 FKAA COc1ccccc1-c1cnn2c(Nc3ccc(C)c(C)c3)cc(C)nc12 7572485 YPFFZUMKNDPMFV-UHFFFAOYSA-N 358.445 5.074 0 50 FKAA Cn1c(SCc2ccccc2Cl)nnc1-c1cccc(Cl)c1 17072653 ZMSVHECYPASXSA-UHFFFAOYSA-N 350.274 5.081 0 50 FKAA Cc1ccc(-c2csc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)cc1 723935 MLALCNSYCGEUCU-UHFFFAOYSA-N 364.495 5.144 0 50 FKAA Cc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)Oc2ccccc2)cc1 937006 IKEBCMUGVIJJBZ-UHFFFAOYSA-N 372.376 5.346 0 50 FKAA C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 1114710 VTQSZOQEIPZKBR-ZDUSSCGKSA-N 370.905 5.631 0 50 FKAA Clc1ccc(CNc2nnc(Cc3ccccc3)c3ccccc23)cc1 1384828 UEBUWFGJVUFRLL-UHFFFAOYSA-N 359.860 5.486 0 50 FKAA CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 1386390 VEISZTOTSAOQOI-UHFFFAOYSA-N 370.861 5.125 0 50 FKAA Clc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)cc2)cc1 1568768 FFJXPDGHCJLBCC-UHFFFAOYSA-N 357.284 6.218 0 50 FKAA Cc1ccc(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)cc1 2879000 WUSIGHVVBLREAB-UHFFFAOYSA-N 361.257 5.135 0 50 FKAA COc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3C)o2)cc1Cl 4542873 STVFIKFWTUKSEO-UHFFFAOYSA-N 355.821 5.478 0 50 FKAA CCOc1ccccc1OCCCCOc1cccc(Br)c1 4701985 CWDTVHOYDBCJBE-UHFFFAOYSA-N 365.267 5.086 0 50 FKAA CCc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 4865882 ZCXTYAYWQGRUSM-UHFFFAOYSA-N 357.413 5.013 0 50 FKAA CCCCC(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC 5013394 UIFZSZYIYGHLCX-UHFFFAOYSA-N 366.461 5.756 0 50 FKAA CCc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 5985147 IVTWBUFRTNKTKY-CQSZACIVSA-N 356.535 5.296 0 50 FKAA CC(C)COc1ccc(-c2cnc(NC(=O)c3ccccc3)s2)cc1 6306470 YAVKMMTWUFSYTK-UHFFFAOYSA-N 352.459 5.097 0 50 FKAA COP(=O)(OC)O/C(=C\Cl)c1cc(Cl)c(Cl)cc1Cl 13783166 UBCKGWBNUIFUST-YHYXMXQVSA-N 365.964 5.602 0 50 FKAA in-man CCCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 146821012 AQJBXYBDNZHZRE-UHFFFAOYSA-N 357.759 5.400 0 50 FKAA O=C(Oc1ccc(OC(=O)C2CCCCC2)c(Cl)c1)C1CCCCC1 1056054 NYIZWFVYYCAOCL-UHFFFAOYSA-N 364.869 5.311 0 50 FKAA CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3cccs3)C2)cc1 1077191 IILZBBNLFHZVNG-HXUWFJFHSA-N 360.482 5.302 0 50 FKAA O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 1112987 IHCQABVFNAOZPH-UHFFFAOYSA-N 354.409 5.190 0 50 FKAA O=C(Nc1ccccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 1179962 UUSINBDCVHACIR-IBGZPJMESA-N 353.874 5.812 0 50 FKAA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(C)cc2C)c1 2906761 YQIWJRDVQZUVSV-QHCPKHFHSA-N 369.508 5.865 0 50 FKAA CCCCCc1ccc(OCCC[n+]2ccc(C)cc2)c(CCCCC)c1 4566203 QYZSHDLEOKEKNC-UHFFFAOYSA-N 368.585 6.217 0 50 FKAA CC[n+]1c(/C=C/c2ccc(OCc3ccccc3)cc2)ccc2ccccc21 4793029 FPEGDLJNIQSGOX-FOWTUZBSSA-N 366.484 5.897 0 50 FKAA Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1 100396423 XSZSPGUINNFXLF-XDOYNYLZSA-N 366.873 5.744 0 50 FKAA c1ccc(OCCn2nc(-c3ccccc3)c3oc4ccccc4c32)cc1 221526462 MCSYSWVZAYTQDU-UHFFFAOYSA-N 354.409 5.529 0 50 FKAA Clc1cccc(Cl)c1-c1nccn1C[C@@H]1CCCN2CCCC[C@H]12 1857687214 RMFMWNMAXGAIEO-WMLDXEAASA-N 364.320 5.121 0 50 FKAA CCOc1cc(CNc2cccc(Cl)c2)cc(Br)c1OC 1072695 MKXYOKPXNCBPHE-UHFFFAOYSA-N 370.674 5.122 0 50 FKAA O=C(Nc1ccccc1N1CCCC1)c1cccc(OCc2ccccc2)c1 1124206 CGPCQPHJRDUOAX-UHFFFAOYSA-N 372.468 5.118 0 50 FKAA O=C(Nc1ccc2c3c(cccc13)CC2)C(c1ccccc1)c1ccccc1 1143730 SQGMOEQAYVAWID-UHFFFAOYSA-N 363.460 5.709 0 50 FKAA O=C(CSCc1c(Cl)cccc1Cl)Nc1cccc(Cl)c1 1145855 SWYQQMFWMIWXOY-UHFFFAOYSA-N 360.693 5.519 0 50 FKAA O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(OCc2ccccc2)c1 1146532 MDWCJKUGVTUQDZ-UHFFFAOYSA-N 372.468 5.118 0 50 FKAA c1ccc2c(-c3nc4c5c6c(sc5ncn4n3)CCCCC6)cccc2c1 1175967 RKNBAQMBADLIBT-UHFFFAOYSA-N 370.481 5.428 0 50 FKAA Cc1c(Cl)cccc1NC(=O)c1cccc(OCc2ccccc2)c1 1185206 BIGICMMATNPKRG-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA Cc1ccc(C)c(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)c1 2867603 RWJHWQNDMMPLSW-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA CCCCc1nc2ccccc2c(NC(=O)/C=C/c2ccccc2)c1CCC 3200207 GXELVNROWFTNHO-ISLYRVAYSA-N 372.512 6.182 0 50 FKAA COc1ccc([C@@H](CCNC[C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 4029639 FWQXNBIMBQJMNO-XXBNENTESA-N 367.533 5.012 0 50 FKAA biogenic COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 5555214 RXIIOSXDKVZUAU-GMAHTHKFSA-N 374.415 5.077 0 50 FKAA CCOc1ccccc1NC(=S)Nc1cc(C(C)(C)C)ccc1OC 6936830 ZYPZMPUFMAQJJM-UHFFFAOYSA-N 358.507 5.200 0 50 FKAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@H]1c1ccc(F)cc1 12580138 AGTVSKGVQAQFRR-FQEVSTJZSA-N 372.390 5.404 0 50 FKAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 20605828 PYUJMXOROYIJGX-UHFFFAOYSA-N 369.390 5.989 0 50 FKAA Cc1nn(-c2ccccc2F)c2nc(-c3cccs3)cc(C(F)F)c12 20615147 QYWMWCRHXVZQEE-UHFFFAOYSA-N 359.376 5.534 0 50 FKAA Cc1ccc2[nH]c(C(=O)N3CCCCC[C@@H]3c3cccc(F)c3)c(C)c2c1 91636862 CNOBFOXYCDYJQA-OAQYLSRUSA-N 364.464 5.681 0 50 FKAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 100977630 KVCQLVLKRHUORD-QZTJIDSGSA-N 371.889 5.171 0 50 FKAA Cc1ccc(-c2noc([C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1 225572385 QMUVZWMFDGSWLW-RHSMWYFYSA-N 358.800 5.083 0 50 FKAA CCCCCCc1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325824192 SUYWORKJLBSFIO-UHFFFAOYSA-N 371.937 6.147 0 50 FKAA CCN(CC)Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 2850885 WKDQGSLSOWSRCT-UHFFFAOYSA-N 351.277 5.088 0 50 FKAA Oc1cccc2ccc(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 4755156 KFUFLJQJGDFFBT-UKTHLTGXSA-N 353.421 5.690 0 50 FKAA COc1c(Cl)cc(Cl)cc1/C=C/c1ccc2cccc(OC)c2n1 5013671 ITRAAENQTRBVLS-VQHVLOKHSA-N 360.240 5.729 0 50 FKAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccccc3Cl)oc2C)c1 11841260 UZLUUUNPVIONGJ-CQSZACIVSA-N 370.880 5.505 0 50 FKAA O=C(c1cccc2ccccc12)c1cn(CCCCCO)c2ccccc12 64858572 UGHBAICDASCCIQ-UHFFFAOYSA-N 357.453 5.188 0 50 FKAA in-vitro CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1cccc2ccccc12 102300254 ORRWWJKEHZWNAI-XTQSDGFTSA-N 364.901 6.276 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 257356550 IYAFUOCOYSUWOG-XZLQSDTDSA-N 374.565 5.510 0 50 FKAA CO[C@@H]1CCC[C@]12CCCN(c1cc(-c3ccccc3)nc3ccccc13)C2 1704314884 XKRBBGIFGBHRPM-JWQCQUIFSA-N 372.512 5.687 0 50 FKAA O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1Cl 753274 DFFDYNVDTLJCGX-UHFFFAOYSA-N 371.072 5.101 0 50 FKAA O=C(Nc1cccc(CCc2ccccn2)c1)Nc1cccc2ccccc12 1189258 LJOKIPKRHVSIDQ-UHFFFAOYSA-N 367.452 5.664 0 50 FKAA O=c1c(-c2ccccc2)coc2cc(OCCCc3ccccc3)ccc12 1915225 CXLMUXBEKJRHSW-UHFFFAOYSA-N 356.421 5.472 0 50 FKAA Cc1ccc([C@H](CCN[C@H](C)c2ccc(Cl)cc2)c2ccco2)cc1 4872645 PEGLORYKIOVUDR-UTKZUKDTSA-N 353.893 6.114 0 50 FKAA O=C(CCCCC(=O)NC1CCCCCCC1)NC1CCCCCCC1 4903109 CXLYAMLGRMZFTM-UHFFFAOYSA-N 364.574 5.005 0 50 FKAA O=C(O)Cc1sc(-c2cccc(C(F)(F)F)c2)nc1-c1ccccc1 71770877 MORFSTFTJNGIHD-UHFFFAOYSA-N 363.360 5.123 0 50 FKAA CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CCCC)cc3)cc2)CC1 245189276 JYNBIXBHAKVVBW-ALOJWSFFSA-N 362.601 8.550 0 50 FKAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NC(C)(C)C)c1ccccc1 263621502 DAJGFDWVRFTHOQ-VEBYGKHWSA-N 351.471 5.371 0 50 FKAA COC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 328579047 LESQXTUJIJWBOV-UHFFFAOYSA-N 358.224 5.509 0 50 FKAA O=C(Nc1nc2ccc(F)cc2s1)c1sc2ccccc2c1Cl 1423368 BHQPTZABPPBXRS-UHFFFAOYSA-N 362.838 5.556 0 50 FKAA Cc1ccc([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 2221708 JWFBTTCSHFQGJU-HXUWFJFHSA-N 361.422 6.149 0 50 FKAA CCS[C@H]1C(C)=C(C)C(=O)N1C(C)(C)c1cc(Cl)cc(Cl)c1 2290507 KAQLIRXPWLDNEX-INIZCTEOSA-N 358.334 5.486 0 50 FKAA O=C(CCc1ccc(Br)cc1)c1ccc(Br)cc1 2516760 PQDQAUVBWSUMMB-UHFFFAOYSA-N 368.068 5.027 0 50 FKAA O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1Cl 2820327 VJECJMNZPWNRTF-UKTHLTGXSA-N 374.248 5.553 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cc(F)c(F)cc1Cl 2908797 LZTOJXOAAGPSHT-UHFFFAOYSA-N 372.758 6.162 0 50 FKAA CCCC(CCC)OC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 2981211 XZCZFFAXCWBXNP-UHFFFAOYSA-N 352.478 6.046 0 50 FKAA O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)Nc1ccccc1 4839997 JCKZRGCYEVFGMP-UHFFFAOYSA-N 355.441 5.191 0 50 FKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 4854028 VRNCUACSHNHYIW-HKUYNNGSSA-N 361.272 5.663 0 50 FKAA COc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C 5417468 NNPLSZNOTZYVOR-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA Cc1oc(-c2ccsc2)nc1CN1CCCC[C@@H]1c1ccc(F)cc1 11815073 TYIQPGTXJHULCV-LJQANCHMSA-N 356.466 5.578 0 50 FKAA O=C(C1CC1)N(Cc1cccc(OCc2ccc(F)cc2)c1)C1CCCC1 11999744 BDFVWHGOGOKJKN-UHFFFAOYSA-N 367.464 5.086 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)c(Cl)c1 13321272 JQZMICZNLZYNOC-UHFFFAOYSA-N 374.065 5.708 0 50 FKAA FC(F)(F)c1ccc(-c2ccc(CNc3ccccc3Cl)cc2)nc1 263640081 WPXDZVRYFOCJHR-UHFFFAOYSA-N 362.782 6.033 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1C[C@@H]1c1cccs1 1857798763 AFKORGWLKDUVRO-JKSUJKDBSA-N 360.438 5.299 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1ccccc1 636941 JKQVQWIVAQRZNG-UHFFFAOYSA-N 357.240 6.304 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2ccc(C)c(C)c2)c2ccccc2)cc1 1139880 WTIDGWXDSNKZIT-XQNSMLJCSA-N 357.453 5.491 0 50 FKAA Cc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 1212425 DMBMPSJFVFLACG-UHFFFAOYSA-N 370.452 5.981 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cc(Cl)ccc1Cl 4795186 SGYFODHUSZIINH-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA CC(=O)N1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 103004258 BHCVEZXVFMWSNG-ICDZXHCJSA-N 369.464 5.074 0 50 FKAA O=C(Nc1ccc(Cl)cn1)c1ccc(-c2cc(Cl)ccc2Cl)o1 1219785 BULBJUAFKSMUHB-UHFFFAOYSA-N 367.619 5.554 0 50 FKAA aggregator CCCCOc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1 2988189 HJNJGKUTJXFQJN-UHFFFAOYSA-N 353.462 5.005 0 50 FKAA Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 4743587 CEBDKUMDXCOINQ-UNMCSNQZSA-N 360.844 5.582 0 50 FKAA CCCCCC1CCC([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1 299803580 ZVCPJOLFAYLVER-ZRPHKLAYSA-N 374.540 6.924 0 50 FKAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccccc1-c1ccccc1C)C2 1704336687 JSVNFXOPZDAAQD-ISKFKSNPSA-N 363.501 5.083 0 50 FKAA Cc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1Cl 952671 DJSRQYORIHNORX-UHFFFAOYSA-N 359.897 5.913 0 50 FKAA COc1cccc(-c2cc(C(=O)Nc3cccc(C)c3)c3ccccc3n2)c1 994654 ZEOAJYTUYNXCBQ-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3c(F)cccc3F)c(Cl)cc12 1118898 RKYMJTCLIBHMLK-UHFFFAOYSA-N 364.775 5.256 0 50 FKAA Clc1ccc(-c2cnc(Nc3ccc(Cl)cc3Cl)s2)cc1 2093338 SWGKXCHMIFIKED-UHFFFAOYSA-N 355.677 6.514 0 50 FKAA CC(C)(C)c1ccc(OCc2ccc(C(=O)NCc3ccco3)cc2)cc1 2750244 OBKSEOLDYRILQR-UHFFFAOYSA-N 363.457 5.086 0 50 FKAA Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 2783746 DHSPXPWPQLBGAU-VXGBXAGGSA-N 350.171 5.159 0 50 FKAA Cc1ccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1 3655908 ILHKQPNRXZKORX-UHFFFAOYSA-N 374.484 5.351 0 50 FKAA aggregator COc1ccc(-c2nc(-c3ccc(C)o3)[nH]c2-c2ccc(OC)cc2)cc1 5387284 RXLISILRNYHBSS-UHFFFAOYSA-N 360.413 5.329 0 50 FKAA C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6036223 HIAJCGFYHIANNA-QIZZZRFXSA-N 374.565 5.427 0 50 FKAA endogenous,in-man O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1C[C@@H]2CC[C@H](C1)O2 2325863379 HPPQBAHQJCFZQH-JNPLKDGNSA-N 357.837 5.028 0 50 FKAA CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 995180 WBHFTIFZBITNMP-UHFFFAOYSA-N 370.408 5.258 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)c1Cl 1170152 YRNZSFHQQKRZJJ-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 1205774 OOVMGPGAGCOIIB-IBGZPJMESA-N 352.796 5.250 0 50 FKAA CCCCCC(=O)N[C@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 1787066 IXWKRCSAFHTNFZ-HNNXBMFYSA-N 365.732 5.108 0 50 FKAA CCOc1ccccc1C(=O)Nc1nc(-c2cc(C)ccc2C)cs1 1791117 NLAAJWAQCNKFDM-UHFFFAOYSA-N 352.459 5.078 0 50 FKAA CC[C@@H]1CCCCN1C(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 2737837 BXMVCOFNMBODBB-LJQANCHMSA-N 358.485 5.615 0 50 FKAA CC(C)(C)CC(C)(C)c1ccc(OC(=O)Nc2ccccc2)c(Cl)c1 2854396 IDOMRGAGFGGCCO-UHFFFAOYSA-N 359.897 6.665 0 50 FKAA CCCCCC[C@H](C)Nc1ccc(N[C@H](C)CCCN(CC)CC)cc1 4552243 GFVQYDVMTCAVFN-LEWJYISDSA-N 361.618 6.380 0 50 FKAA COc1ccc(C[C@@H](C)NCCC(c2ccccc2)c2ccccc2)cc1 4989321 JBDNRLFNOXESPO-HXUWFJFHSA-N 359.513 5.438 0 50 FKAA CC(=O)Oc1ccc(OC(C)=O)c2c1[C@H]1CCCCC1=C1CCCC[C@H]12 15906447 LMPWZOZGXUOXGK-HDICACEKSA-N 354.446 5.163 0 50 FKAA CC[C@H](C)Nc1cc(C)nc2c(-c3ccc(F)cc3)c(C(F)(F)F)nn12 21799186 BFIODBCFHQIEBQ-JTQLQIEISA-N 366.362 5.073 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 101471826 FIWPMZXDLSBTPB-CUWPLCDZSA-N 351.515 5.206 0 50 FKAA S=C(Nc1ccccc1)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 170618216 ZZGAACNOPBMYBQ-QGZVFWFLSA-N 369.540 5.358 0 50 FKAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 1178702 ABTHVWCXMWDDAL-UHFFFAOYSA-N 373.692 5.082 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nc2c1 1209779 UBKBDJSXBYHLND-UHFFFAOYSA-N 356.425 5.672 0 50 FKAA Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1 1411726 DCRHCBLUHHQMMZ-UHFFFAOYSA-N 360.240 6.123 0 50 FKAA CCSc1sc(SCC)c(Br)c1Br 2895825 BDOFSMWORIVEOL-UHFFFAOYSA-N 362.177 5.497 0 50 FKAA O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(Br)cc2)o1 2999155 ZCPDCTCIRMQFSM-UHFFFAOYSA-N 360.182 5.101 0 50 FKAA O[C@@H](c1ccc(Cl)cc1)c1c[nH]cc1-c1c(Cl)cccc1Cl 3105612 KSYUSLOIKPMDOJ-KRWDZBQOSA-N 352.648 5.724 0 50 FKAA Cc1ccc2cccc(Oc3ncnc4scc(-c5ccccc5)c34)c2n1 4116614 NORYAKJWERMAJE-UHFFFAOYSA-N 369.449 6.007 0 50 FKAA COc1ccc(CCN(C)C2(c3cccs3)CCCCC2)cc1OC 4489086 SVJREYVUOQZRQV-UHFFFAOYSA-N 359.535 5.099 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccccc1)O2 13616623 VFFURTPDJYYADZ-XLIONFOSSA-N 366.873 5.644 0 50 FKAA Cc1cc2c(cc1-c1cc(/C=C\C(=O)O)ccc1O)C(C)(C)CCC2(C)C 90677403 DYLLZSVPAUUSSB-CLFYSBASSA-N 364.485 5.814 0 50 FKAA in-vitro COc1cc(F)ccc1N[C@@H](C)c1cc(F)ccc1Oc1cccc(F)c1 2325817770 VFMAVSNRMINRIH-ZDUSSCGKSA-N 373.374 6.078 0 50 FKAA CC(C)Nc1cccc(-c2cn([C@H](C)c3cccc(Cl)c3F)nn2)c1 2325840080 OHPCHGPRNOUXBM-CYBMUJFWSA-N 358.848 5.167 0 50 FKAA O=C(NCCCCc1ccccc1)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 2325866251 FPJDGKGSXHZKHR-PZJWPPBQSA-N 370.924 5.298 0 50 FKAA COc1ccccc1/C=C/[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1C 709978 WHUZNGFUDMKVKQ-POICXBNUSA-N 370.452 5.115 0 50 FKAA CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 713736 QRXBPZUWWLGXLP-QFIPXVFZSA-N 358.441 5.165 0 50 FKAA Cc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)O)cc1 979570 XBAMVCJKHUNIBU-UHFFFAOYSA-N 358.850 5.143 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3ccccc3n2)s1 995243 IXOYAPRUIYDGGP-UHFFFAOYSA-N 372.493 6.141 0 50 FKAA Cc1ccc(NC2=C[C@@H](c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1 1095860 QDCNAIVUSBXJHH-QHCPKHFHSA-N 372.443 5.526 0 50 FKAA aggregator Cc1ccc(OCc2nnc(SCc3cccc4ccccc34)o2)cc1 1167747 JJLHDELSHYGWEY-UHFFFAOYSA-N 362.454 5.403 0 50 FKAA O=C(COC(=O)c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 1172302 VULWSZLETRCHAB-UHFFFAOYSA-N 350.801 5.047 0 50 FKAA O=C(N[C@H]1CCCc2ccccc21)C1c2ccccc2Oc2ccccc21 2772553 KHADVELYBXHPFC-FQEVSTJZSA-N 355.437 5.118 0 50 FKAA CCCOc1cc2oc(C)c(Oc3ccccc3F)c(=O)c2cc1CC 2898822 POWNNEPFQJVDBH-UHFFFAOYSA-N 356.393 5.384 0 50 FKAA Cc1ccsc1C(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 14980723 GLHSRKSXFMJXLQ-UHFFFAOYSA-N 355.503 5.040 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 38358415 HIAJCGFYHIANNA-XACSJCOKSA-N 374.565 5.427 0 50 FKAA O=C(c1ccc(-c2ccccc2CO)cc1)N1CCC2(CCCCCC2)C1 426503961 GVJGBPXMWRIEJG-UHFFFAOYSA-N 363.501 5.032 0 50 FKAA CC[C@@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 746048318 FHDDRDSFBCUDMR-SJORKVTESA-N 357.803 5.133 0 50 FKAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(Cl)c3)cc12 863662 PTILRIHWSJUZBH-UHFFFAOYSA-N 367.861 5.301 0 50 FKAA aggregator CC(=O)c1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 1119760 HFKZARXXGMWQEU-UHFFFAOYSA-N 362.454 5.490 0 50 FKAA COc1ccccc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1156040 USFAPXAZZPMOMW-UHFFFAOYSA-N 358.393 5.048 0 50 FKAA biogenic O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2ccccc12 1191519 JJKKNALVODAPRK-UHFFFAOYSA-N 364.754 6.156 0 50 FKAA COc1ccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCC5)cc1F 2126329 QKWQJKZRWXIIHM-UHFFFAOYSA-N 364.372 5.151 0 50 FKAA biogenic Cc1ccc2c(Cl)c(C(=O)N[C@@H]3CCCc4ccccc43)sc2c1 2763047 PEKADAVPHONCAA-MRXNPFEDSA-N 355.890 5.671 0 50 FKAA ClC(Cl)=C1C(Cl)=C(Cl)C(Cl)(Cl)C1(Cl)Cl 3070120 DDCSJBUWRTUGEO-UHFFFAOYSA-N 355.690 5.726 0 50 FKAA O=C(Nc1ccc(N2CCCC2)cc1)c1sc2ccccc2c1Cl 4105490 GFBZPXWGFVDICJ-UHFFFAOYSA-N 356.878 5.407 0 50 FKAA C[C@H]1CCc2c(sc3[nH]c(=S)n(CCC4=CCCCC4)c(=O)c23)C1 17074331 QBUPAKNNNWEFTM-LBPRGKRZSA-N 360.548 5.136 0 50 FKAA Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3ccccc3)nc21 20605378 YBQVFFLNIFHLDX-UHFFFAOYSA-N 357.310 5.245 0 50 FKAA CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CCC2=C3CCC[C@@]3(C)CC[C@]21C 60272292 DQYRCOLJIFTLJT-DGMHDFATSA-N 368.649 8.316 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](C(C)C)CC[C@H]32)C1 257348187 BZAWVWWSERJTFM-VRSPDZEZSA-N 360.582 6.233 0 50 FKAA CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccccc2F)cc1 299789856 HDMILWUMBIRYDS-KRWDZBQOSA-N 372.440 5.041 0 50 FKAA O=C(Nc1ccc(Cl)cc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 825777 FWQPVQKVNMEGDR-ATKRNPRHSA-N 359.856 5.576 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 1119827 XFZWOFYLAYJQAL-SJLPKXTDSA-N 366.332 5.059 0 50 FKAA CCOc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 1165834 XHOYMJNCYLFZLQ-UHFFFAOYSA-N 370.456 5.384 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)Nc1cccc(Br)c1 1170487 CIAPVNKBUDGLIN-UHFFFAOYSA-N 370.699 5.223 0 50 FKAA COc1ccc2c(=O)c(-c3cc4ccccc4o3)c(C(F)(F)F)oc2c1 2322761 TVGGXGNZLHYUTH-UHFFFAOYSA-N 360.287 5.234 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 2755355 KAXFORPFQHVXMY-UHFFFAOYSA-N 357.240 5.989 0 50 FKAA Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1C 2862088 OVWKKYKQFQJAFO-UHFFFAOYSA-N 360.482 5.097 0 50 FKAA O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 6885643 QOCFOCWSYAOWHW-UHFFFAOYSA-N 362.816 5.078 0 50 FKAA O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccnc1 10039816 XPTHGSINVSUIFL-UHFFFAOYSA-N 365.845 5.264 0 50 FKAA C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12)SCCS3 257350572 YNVILHLADMIWHU-GXUNQHPWSA-N 350.637 6.596 0 50 FKAA Cc1ccc(C)c2c1CCC[C@@H]2Nc1cc(NCc2ccccc2)ccn1 1875341954 QEADDUDLODYQJC-QFIPXVFZSA-N 357.501 5.800 0 50 FKAA CCCCc1oc2ccccc2c1C(=O)NCCCCCN1CCCCC1 2325862820 JSKUQPUWWKSHII-UHFFFAOYSA-N 370.537 5.161 0 50 FKAA C[C@@H](NCc1cc(-c2cccc(Cl)c2)on1)c1coc2ccccc12 2325878550 UHBIJJCIKGKTQX-CYBMUJFWSA-N 352.821 5.592 0 50 FKAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@H]1C[C@@H]1c1ccccc1 995915 KCWMJAKMSZUKOC-UXHICEINSA-N 370.477 5.706 0 50 FKAA Cc1cc(C)c2nc(Nc3nc(C)cc(-c4ccccc4)n3)nc(C)c2c1 1072036 PUPUPQKRTLYJIQ-UHFFFAOYSA-N 355.445 5.064 0 50 FKAA O=C(Nc1cc(Cl)ccc1O)c1ccccc1CCc1ccccc1 4833195 SNXMQTUHYVHZLW-UHFFFAOYSA-N 351.833 5.083 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1cccs1 4844519 BYWGDRGGEFFLMQ-OXQOHEQNSA-N 362.498 5.269 0 50 FKAA CCCCOc1ccc(-c2n[nH]c(SCc3ccc(F)cc3)n2)cc1 6359662 OECZPBQTIMRKPS-UHFFFAOYSA-N 357.454 5.082 0 50 FKAA CCCc1sc(C(=O)N2c3ccccc3C[C@@H]2C)cc1Br 6636437 YCZYYARRGFODST-NSHDSACASA-N 364.308 5.055 0 50 FKAA COc1cc(-c2ccc(C)cc2)cc2c1OCCN(Cc1ccsc1)C2 12218886 YTLCHFYFIJFKIZ-UHFFFAOYSA-N 365.498 5.127 0 50 FKAA Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 12403997 ASYAFSDSZYHOAL-UNMCSNQZSA-N 360.844 5.582 0 50 FKAA CCC[C@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 25581544 SGRLWFXQKJWQHG-IEBWSBKVSA-N 356.853 5.018 0 50 FKAA Brc1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12 95830620 QTWVKYHIDBPQIL-UHFFFAOYSA-N 372.265 6.699 0 50 FKAA in-vitro CC1(C)CC[C@@H](NC(=O)CCC(=O)c2cccs2)[C@H](c2ccccc2)C1 1875329278 OGIYOVLDRPHJEF-ZWKOTPCHSA-N 369.530 5.190 0 50 FKAA Cc1cc(Br)c(O)c(NC(=O)c2cccc(C3CCCC3)c2)c1 2325840241 VHCOIYDECGCDSW-UHFFFAOYSA-N 374.278 5.373 0 50 FKAA CCC[C@H](C)c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 1049272 DXDJEKWFMCNXGC-VIFPVBQESA-N 365.911 5.562 0 50 FKAA CCCCOc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 1772371 WSKSFZZLVWWQGB-UHFFFAOYSA-N 360.409 5.917 0 50 FKAA COc1ccc(CCC(=O)Nc2c(Cl)cccc2Cl)cc1Cl 4542180 PNFKJWIXRNIYAV-UHFFFAOYSA-N 358.652 5.227 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@@H](c1cccs1)O2 5716135 IDEPVBNFQUXYFC-KBXCAEBGSA-N 356.834 5.237 0 50 FKAA CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC)c1ccc(Cl)cc1 13328976 NNYWMQDIAFZGQV-CQSZACIVSA-N 353.249 5.275 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)/C=C\c4ccco4)ccc3o2)c(C)c1 32619729 GQVRDXNEZIMKEP-YFHOEESVSA-N 358.397 5.357 0 50 FKAA CC1(C)[C@H]2CC[C@]1(C)[C@@H]1O[C@@H](O[C@H]3C[C@@H]4[C@@H]5CC[C@](C)([C@@H]4O3)C5(C)C)C[C@H]21 39945937 VUDXCBLBKXFCNA-FEFNCVQLSA-N 374.565 5.378 0 50 FKAA c1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)CCCCC3)=N2)cc1 1857775515 UCQNNOPAGMJZGM-SFTDATJTSA-N 374.484 5.277 0 50 FKAA Clc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nn2-c2ccccc2)cc1 634354 CCBNZMVAXSXLHH-UHFFFAOYSA-N 370.843 5.736 0 50 FKAA COc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1 668679 RICAFILNMUFWHF-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA Cc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1Cl 1116266 ZHSZYUCOVBKQAL-UHFFFAOYSA-N 358.290 5.226 0 50 FKAA CC1(C)[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H]1C=C(Cl)Cl 1119823 XFZWOFYLAYJQAL-FUHWJXTLSA-N 366.332 5.059 0 50 FKAA O=C(Nc1ccc(Br)cc1F)c1ccccc1-c1ccccc1 1132893 SZWXRQPZOVDIHT-UHFFFAOYSA-N 370.221 5.508 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(Cl)c1 1150703 CUOGUNKTCNYJKL-UHFFFAOYSA-N 372.251 6.346 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cc1 1164381 SNRPPKOFFCKJGK-UHFFFAOYSA-N 366.464 6.025 0 50 FKAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 1185303 NXTKJFQZRBIEHG-UHFFFAOYSA-N 362.816 5.329 0 50 FKAA COc1ccc(CNc2ccc(F)c(Cl)c2)cc1OCc1ccccc1 1229419 GDFCQTASFYWCBQ-UHFFFAOYSA-N 371.839 5.679 0 50 FKAA O=C(c1ccc(COc2ccccc2Cl)o1)N1CCCc2ccccc21 2761037 JGICNXFIAIMYGL-UHFFFAOYSA-N 367.832 5.105 0 50 FKAA Cc1ccccc1-c1cc(C(=O)NCc2cccs2)c2ccccc2n1 2767461 NRSFJYOHFVTTBR-UHFFFAOYSA-N 358.466 5.202 0 50 FKAA CCOc1ccc(C2=NN(c3ccccc3F)[C@H](c3cccs3)C2)cc1 4010620 JYRXOCJKYRHFOB-FQEVSTJZSA-N 366.461 5.642 0 50 FKAA O=C(CSc1ccc2ccccc2c1)Nc1ccccc1OC(F)F 4841993 GGMGVZQUMQMQOP-UHFFFAOYSA-N 359.397 5.172 0 50 FKAA Cc1ccc(Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)cc1 20602757 HQBFGTUBTJIFTG-UHFFFAOYSA-N 363.411 5.701 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cc1 20615198 JLKQGQNHNOYIEW-UHFFFAOYSA-N 363.411 5.701 0 50 FKAA COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504110 IAPNQZCYNPAEIU-REFWVTMDSA-N 374.871 5.276 0 50 FKAA CCOc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 35561669 ZOBMEAUERAUKQT-HXUWFJFHSA-N 352.478 5.543 0 50 FKAA Cc1ccc(C2=NN3[C@H](c4ccc(Cl)cc4)Oc4ccccc4[C@H]3C2)cc1 36352199 VEKQAUPIYRKPFN-GGAORHGYSA-N 374.871 5.891 0 50 FKAA Cc1cc2cccc3c2c(c1C(=O)c1cccc2ccccc12)-c1ccccc1-3 45068549 VPORGCGYQCOVDB-UHFFFAOYSA-N 370.451 7.180 0 50 FKAA CCN(C(=O)Nc1ccc(F)cc1COC)[C@@H](C)c1cc2ccccc2o1 184784794 DVKBHLLZPHHFFO-AWEZNQCLSA-N 370.424 5.333 0 50 FKAA Cc1nc(-c2ccn(-c3ccccc3C(F)(F)F)c2)[nH]c1-c1ccccc1 1875365482 DBMWWIZVLWQASC-UHFFFAOYSA-N 367.374 5.862 0 50 FKAA Cc1ccc(C(=O)n2nc(C)c(Sc3ccc(Cl)cc3)c2C)cc1 625367 APFOWYQZJYGWOW-UHFFFAOYSA-N 356.878 5.301 0 50 FKAA O=c1oc2cc(OCc3c(Cl)cccc3Cl)ccc2c2c1CCC2 633869 UFKPGDRJAZYWNR-UHFFFAOYSA-N 361.224 5.168 0 50 FKAA CSc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1 2749483 SEJFJDXLMTXYGH-UHFFFAOYSA-N 374.465 5.777 0 50 FKAA CCC(=O)N(c1cccc(Cl)c1)c1nc(-c2ccc(C)cc2)c(C)s1 2839681 SYSFKSDOHDUFEP-UHFFFAOYSA-N 370.905 6.155 0 50 FKAA CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 2856974 GFDHEVOYKPHNOD-CYBMUJFWSA-N 351.368 5.236 0 50 FKAA O=C(c1cn(Cc2ccc(Br)cc2)c2ccccc12)C1CC1 2861265 APHCMIBEBYZQIL-UHFFFAOYSA-N 354.247 5.045 0 50 FKAA Cc1ccc(C(C)(C)C[C@H](C)NCC(c2ccccc2)c2ccccc2)o1 5031845 QPTNQRWBOOTNFA-IBGZPJMESA-N 361.529 6.066 0 50 FKAA Cc1nc2cc(Cl)ccc2n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 15658633 ZVOQDJWXZQRQPZ-UHFFFAOYSA-N 370.924 6.288 0 50 FKAA CCC[C@@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN21 25760552 BKDGODYPOAQQBG-TZIWHRDSSA-N 370.880 5.408 0 50 FKAA CC(C)(C)c1ccc(Nc2cccc(Nc3ccc(C(C)(C)C)cc3)c2)cc1 214423885 NFWPHICGKMNNGG-UHFFFAOYSA-N 372.556 7.769 0 50 FKAA Cc1cccc(C)c1NC(=O)c1c(Cl)nc(Cl)c(Cl)c1Cl 718863 NNIWRGNFQLADRE-UHFFFAOYSA-N 364.059 5.564 0 50 FKAA Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 843649 JTOGDMHNTGWQLL-YLJYHZDGSA-N 350.418 5.130 0 50 FKAA O=C(Oc1ccc(-c2nnco2)cc1)N(c1ccccc1)c1ccccc1 936189 GEHDECVGTLMHRD-UHFFFAOYSA-N 357.369 5.074 0 50 FKAA COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1Cl 1208377 WAKCRBTUCWYWCR-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 2748262 WNEUXFZIPBYWGU-UHFFFAOYSA-N 353.215 5.335 0 50 FKAA Cc1ccccc1-c1nnc(-c2cccc(NC(=O)C3CCCCC3)c2)o1 4842418 NXJSLUHCVFGVGQ-UHFFFAOYSA-N 361.445 5.231 0 50 FKAA CCCCOP(=O)(OCCCC)[C@@H](C)CP(=O)(OCC)OCC 5298386 QHBHRNVDPPAPDJ-HNNXBMFYSA-N 372.379 5.468 0 50 FKAA CC(C)c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 13496749 ONGFBMSCOCTXCD-UHFFFAOYSA-N 354.397 5.518 0 50 FKAA CCN1CCC[C@@H]1CN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 249701203 YFPIRWFEOJUQFS-MJGOQNOKSA-N 372.965 5.162 0 50 FKAA Cc1ccc2c(c1)CC[C@@H](C(=O)OCc1ccc(Cc3ccccc3)cc1)O2 1875342661 BMBJGJRGWSMYHM-DEOSSOPVSA-N 372.464 5.023 0 50 FKAA CC[C@@H](Oc1ccc(NC(=O)c2ccc(C)cc2)cc1)C(=O)c1ccccc1 993003 YJKMLJBBMOCDRF-JOCHJYFZSA-N 373.452 5.288 0 50 FKAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)c(Cl)c2)c1 1142455 AHEQOJOLDGYSMQ-UHFFFAOYSA-N 365.260 5.293 0 50 FKAA CCCCSc1ccc([C@@H](SCCN(C)C)c2ccccc2)cc1 2040211 IZLPZXSZLLELBJ-NRFANRHFSA-N 359.604 5.963 0 50 FKAA world CCCCCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 2851754 DFNWRNVIEXELAS-UHFFFAOYSA-N 351.475 5.190 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1 4309592 XTAFYBZMBMMAKI-IBGZPJMESA-N 352.865 5.462 0 50 FKAA Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2cccc(F)c2)cc1 4502346 FEVPBWDRBHSXIF-NRFANRHFSA-N 368.814 5.974 0 50 FKAA COc1ccccc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 4542021 QRHOYIARIXENRS-UHFFFAOYSA-N 361.319 5.226 0 50 FKAA O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1Cl 671344 LLYCFUILTVWQDT-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2nc3ccccc3s2)o1 977593 CGGCGMYMPKOCDG-UHFFFAOYSA-N 368.845 5.770 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1 997967 KPQNLKSKKSNKGB-UHFFFAOYSA-N 357.413 5.067 0 50 FKAA aggregator O=c1n(Cc2ccccc2)c2cccc3cccc(c32)n1Cc1ccccc1 1158351 YXSXHEZFFBEOQN-UHFFFAOYSA-N 364.448 5.053 0 50 FKAA Cc1ccc([C@H](NC(=O)[C@H](c2ccccc2)C(C)C)c2ccccc2)cc1 2362892 KLZOEACHXMZNNH-BJKOFHAPSA-N 357.497 5.640 0 50 FKAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2 2737451 YWOJNIAIVPVXTR-UHFFFAOYSA-N 371.502 5.143 0 50 FKAA CCCc1ccc(Oc2c(-c3ccc(OC)c(C)c3O)n[nH]c2C)cc1 4567541 YNWOQBCMNIZQKG-UHFFFAOYSA-N 352.434 5.153 0 50 FKAA CCCCCC[C@@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 6783014 IEKIFXSJHKVQDS-IIBYNOLFSA-N 372.534 5.944 0 50 FKAA Cc1sc(NC(=O)c2oc3ccccc3c2C)nc1-c1ccc(F)cc1 6825383 LGAOQAZCSAZZBX-UHFFFAOYSA-N 366.417 5.565 0 50 FKAA Cc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C)nn23)cc1 27585468 QFTCSJCIZSRURU-UHFFFAOYSA-N 362.864 5.719 0 50 FKAA CCSc1ccccc1NC(=O)N1CCC(OCc2ccccc2)CC1 47857084 GPFHAWAFXBFLJJ-UHFFFAOYSA-N 370.518 5.012 0 50 FKAA COCc1ccc(NC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 192579835 GXLUYZCQYBRUIU-NRFANRHFSA-N 363.461 5.073 0 50 FKAA CC1(C)c2cc(Br)ccc2Oc2ccc(Br)cc21 221511689 NVHOWSXDIDUIDZ-UHFFFAOYSA-N 368.068 5.643 0 50 FKAA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cn1 253534520 JHTFPRFKUMCPIU-DFXNKORLSA-N 368.565 5.207 0 50 FKAA Cc1cc(OC(F)F)ccc1NC(=O)N1CCC[C@H](c2ccccc2)C1 299774113 AJDBSUYRPSRBHW-INIZCTEOSA-N 360.404 5.008 0 50 FKAA Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4C)ccc3O)nc2c1 850278 CJROWIXBRHDLFQ-UHFFFAOYSA-N 358.397 5.070 0 50 FKAA biogenic O=C(Nc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 1200939 YMHBEGGXNUHHOQ-UHFFFAOYSA-N 358.828 5.808 0 50 FKAA C/C=C/c1ccc(OCCCOc2cccc3ccc(C)nc23)c(OC)c1 2823257 QQBDHECVMOZYSX-QPJJXVBHSA-N 363.457 5.433 0 50 FKAA Cc1ccc(NC(=O)c2csc(-c3ccccc3)c2-c2ccccc2)cc1 2996908 PUWYIRYPOZWFMI-UHFFFAOYSA-N 369.489 6.643 0 50 FKAA Cc1ccc(C)c(N2C(=N)S/C(=C\c3c(C)[nH]c4ccccc34)C2=O)c1 4492335 YOZCYIWXIHWEAY-AXLQFZPTSA-N 361.470 5.149 0 50 FKAA Clc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 4753919 LTLRXTDMXOFBDW-UHFFFAOYSA-N 356.856 6.483 0 50 FKAA Clc1ccccc1-c1cncnc1[C@H]1CCCN(C[C@H]2CC=CCC2)C1 12282306 YMUBTLKGDQRQCM-ROUUACIJSA-N 367.924 5.333 0 50 FKAA CCCC[C@@H](CC)CNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320417 BTCYVXHRFSEXEV-LLVKDONJSA-N 350.812 5.697 0 50 FKAA Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 25583216 RGOBTVJUKQHQPX-IFMALSPDSA-N 362.379 5.207 0 50 FKAA COc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccccc2Cl)c1 35561784 SUQRCTRDKPYISO-FQEVSTJZSA-N 372.896 5.176 0 50 FKAA CC(C)(C)c1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c1 1875304007 WJWFRWURKRTLLY-UHFFFAOYSA-N 372.440 5.638 0 50 FKAA Cc1c(C(=O)Nc2ccc(Br)cc2Cl)oc2ccccc12 1055486 WKMRXHNEBHINMT-UHFFFAOYSA-N 364.626 5.409 0 50 FKAA O=C(Nc1ccccc1N1CCCC1)C(c1ccccc1)c1ccccc1 1099975 KYJAROWXIRSYND-UHFFFAOYSA-N 356.469 5.057 0 50 FKAA CC[C@H](C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccccc1 1119873 ZBPYSLRYRXVMLV-SFHVURJKSA-N 373.412 5.129 0 50 FKAA C/C=C/c1c(F)c(F)c(Oc2ccc(C(C)=O)cc2OC)c(F)c1F 1127714 VJIIDONWJDIAND-SNAWJCMRSA-N 354.299 5.280 0 50 FKAA CCOc1cc(CO)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1145388 DGJYPTDXXGBJBJ-UHFFFAOYSA-N 361.652 5.117 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl 1166012 SETDVBMCXLJOJL-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA COc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)sc2c1 1203436 GNKCHRVDVWMCES-UHFFFAOYSA-N 352.242 5.469 0 50 FKAA O=C1N(c2ccc(Br)cc2)[C@H](c2cccs2)C12CCCC2 2841365 QQVXAVMORVRWMB-OAHLLOKOSA-N 362.292 5.159 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 2861269 DEDQYFQYCOYBQN-UHFFFAOYSA-N 368.260 5.433 0 50 FKAA O=C(NCCSCc1ccccc1Cl)Nc1ccc(Cl)cc1 2879030 UUSGJIZJDBGZCR-UHFFFAOYSA-N 355.290 5.048 0 50 FKAA CSc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 11945122 HTXRAAACLYYBGY-ZDUSSCGKSA-N 373.472 5.032 0 50 FKAA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1 22145956 DORMULQVRKUPEF-UHFFFAOYSA-N 356.469 5.596 0 50 FKAA CC(C)[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 25558613 IBKVVCZBZGCZNI-IEBWSBKVSA-N 361.272 5.519 0 50 FKAA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@]12C 43758797 OZFUSVFBHIPUTK-DGJNRDHSSA-N 370.577 6.177 0 50 FKAA Brc1ccccc1P(C1CCCCC1)C1CCCCC1 86012793 QFPIIICNJHDAKC-UHFFFAOYSA-N 353.284 6.222 0 50 FKAA CCC[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 96135820 VAZPWEKNUUYTJP-QGZVFWFLSA-N 354.450 5.284 0 50 FKAA CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 101008107 WKJWFESSCHFAQW-IUCIOQMXSA-N 374.528 5.511 0 50 FKAA O=C(/C=C/c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 225849349 NNPXQPOOTVDCBI-UUFSLDAJSA-N 370.427 5.217 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)Oc1cc(Cl)ccc1Cl 640771 LFWVFMDPQPPKCU-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C)Cc2c[nH]c3ccccc23)cc1 753793 YHYIXRWFLNNBGZ-MSOLQXFVSA-N 362.517 5.217 0 50 FKAA biogenic CC1=CC(C)(C)N(C(=O)CSc2nc3ccccc3o2)c2ccccc21 898930 BZEPXFRGVQZHPE-UHFFFAOYSA-N 364.470 5.149 0 50 FKAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1C(F)(F)F 1124439 VVNCYIIBCLYKDF-UHFFFAOYSA-N 353.343 5.529 0 50 FKAA C[C@H](NC(=O)c1cccc2ccccc12)c1ccc(Br)cc1 1127629 UYCREHALRNZKIM-ZDUSSCGKSA-N 354.247 5.093 0 50 FKAA O=C(Nc1ccccc1-c1nc2ccccc2s1)C(Cl)(Cl)Cl 1131255 SWBMDMKWHGCAQJ-UHFFFAOYSA-N 371.676 5.272 0 50 FKAA Cc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1C 1158526 UYOJYQHDWIUANW-UHFFFAOYSA-N 354.247 5.471 0 50 FKAA Cc1ccc(Cl)cc1N[P@](C)(=O)Oc1ccc(C(C)(C)C)cc1 1232640 YCSXUSPJTRIFIP-HSZRJFAPSA-N 351.814 6.260 0 50 FKAA CC(C)(C)c1ccc(OCCCCCOc2ccc(C(C)(C)C)cc2)cc1 2880507 DXWLNDTXUOHVSO-UHFFFAOYSA-N 368.561 6.910 0 50 FKAA Cc1ccc(-c2coc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc23)cc1 4029458 VHURKTSMQBEEPY-UHFFFAOYSA-N 366.416 6.490 0 50 FKAA biogenic Cc1cc(NCCc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc12 23634851 FCOMBOOKJFKOCE-UHFFFAOYSA-N 365.691 6.158 0 50 FKAA C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=O)C(=O)c2ccccc2)C1 38288759 YWVKGFDQNCBLNH-DUXKGJEZSA-N 364.485 5.195 0 50 FKAA C=C(c1ccc(C(=O)O)c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 59047111 LWKAWHRSPCHMPJ-UHFFFAOYSA-N 366.476 6.243 0 50 FKAA in-vitro O=C(O)C1CC(c2ccc(OCc3cccc(Oc4ccccc4)c3)cc2)C1 170614797 YDMBDNPXJNPDCA-UHFFFAOYSA-N 374.436 5.636 0 50 FKAA CCCCc1cc(=O)oc2c(C)c(O)c(-c3ccn(-c4ccccc4)n3)cc12 888088298 IAWZGGLSDLGPQZ-UHFFFAOYSA-N 374.440 5.002 0 50 FKAA COc1ccc(OC)c(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c1 677881 NCBVGKUCBRUCKG-UHFFFAOYSA-N 371.820 5.178 0 50 FKAA Cc1nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc1C 1000084 OVSCENQPMBLDCG-QGZVFWFLSA-N 354.500 5.232 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)CCCc4ccccc4)cc3)nc2c1 1074391 AMRDSQLGBHITOB-UHFFFAOYSA-N 370.452 5.765 0 50 FKAA CCN(CC)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1 1119721 NBHWCDSODGLILP-UHFFFAOYSA-N 352.265 5.484 0 50 FKAA FC(F)(F)c1cccc(OCCOc2ccc(Cl)c3cccnc23)c1 2862810 HZPSQQBFQAHLMM-UHFFFAOYSA-N 367.754 5.365 0 50 FKAA CSc1ccc(Cl)c(C(=O)NC(c2ccccc2)c2ccccc2)c1 2863139 XMYUQYKFAANBCT-UHFFFAOYSA-N 367.901 5.581 0 50 FKAA O=C(CSc1ccc2ccccc2c1)Nc1nc2ccccc2s1 4827023 UZGLAOTYQBRMHT-UHFFFAOYSA-N 350.468 5.180 0 50 FKAA CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 25558748 LAYDXRNIEULOQX-QZTJIDSGSA-N 361.272 5.663 0 50 FKAA CCCCc1cc(Sc2cc(CCCC)c(O)cc2C)c(C)cc1O 95496349 LAUFNCOGSGXOMA-UHFFFAOYSA-N 358.547 6.551 0 50 FKAA COc1cccc(/N=c2/ssc3c2-c2ccc(C)cc2NC3(C)C)c1 100114524 USFFNRSEHLKABX-XUTLUUPISA-N 368.527 5.687 0 50 FKAA COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc2ccccc12 103030121 GEPYGDSDXRTPJA-QRJOEMBSSA-N 374.480 6.003 0 50 FKAA C[C@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)Cc1ccccc1 245254043 YRMXCILLNZAXNX-QQWJIEJLSA-N 371.524 5.318 0 50 FKAA OC(c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 2581147 BCFJVZGZDXPFBN-XMMPIXPASA-N 357.497 5.150 0 50 FKAA S=C(NCCSCc1c(Cl)cccc1Cl)Nc1ccccc1 2813328 RBHVRUQWYXSOIH-UHFFFAOYSA-N 371.358 5.213 0 50 FKAA Cc1ccccc1-c1cc(C(=O)Nc2ccncc2)c2cc(Cl)ccc2n1 2867530 KCHLNHYRROSYAX-UHFFFAOYSA-N 373.843 5.511 0 50 FKAA c1ccc2cc(OCCCCCOc3ccc4ccccc4c3)ccc2c1 2880338 QQBOYQQOCMSGSH-UHFFFAOYSA-N 356.465 6.621 0 50 FKAA CCCCCCC(=O)N[C@@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl 3150378 DVDZBLPWUHFOEG-OAHLLOKOSA-N 365.732 5.190 0 50 FKAA CCCc1ccc(-c2ccc(C(=O)Cc3ccc(Cl)cc3)cc2)c(F)c1 4060380 NSMLUYYFXMLSHK-UHFFFAOYSA-N 366.863 6.524 0 50 FKAA CC(=O)c1c(-c2ccc(-c3ccccc3)cc2)nc2n(C)c3ccccc3n12 5062090 WVZIHKKRUIFTHP-UHFFFAOYSA-N 365.436 5.363 0 50 FKAA CCCCn1c2ccccc2n2c(C(=S)Nc3ccccc3)c(C)nc12 8469210 OLQHKTWTZJCSCX-UHFFFAOYSA-N 362.502 5.185 0 50 FKAA CCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21 13476535 UBMPKJKGUQDHRM-UHFFFAOYSA-N 371.480 6.224 0 50 FKAA in-vitro Cc1nc2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc2n1C 96900864 XHGRJIRGPOOTHG-UHFFFAOYSA-N 365.440 5.236 0 50 FKAA C[C@H](NCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 100744609 GUYRJBUAYYRZRL-AJSBUHFISA-N 351.534 5.716 0 50 FKAA biogenic COc1cc(C)c(C[C@@H](C)N[C@H](C)c2cccc(C3CC3)c2)cc1OC 2325829234 CRYDICBACFPFQN-IAGOWNOFSA-N 353.506 5.171 0 50 FKAA O=C(NCCCCc1ccccc1)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 2325866249 FPJDGKGSXHZKHR-CTNGQTDRSA-N 370.924 5.298 0 50 FKAA CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 677988 CSPNOSWQAPVCCN-UHFFFAOYSA-N 368.864 5.699 0 50 FKAA Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(C(C)C)cc3)n2)cc1 753229 DUHQWNSNJLSXND-UHFFFAOYSA-N 353.857 5.444 0 50 FKAA Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccco4)c3C)nc2c1 843716 YAVQEQYKUVDOGI-PKNBQFBNSA-N 358.397 5.357 0 50 FKAA Cc1ccc(-c2csc3ncnc(SCC(=O)C(C)(C)C)c23)cc1 1077460 PCCNQULGSIQSDW-UHFFFAOYSA-N 356.516 5.374 0 50 FKAA O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ccc(Br)cc1 1131396 KXBIUHJXTWXSOK-SFHVURJKSA-N 358.279 5.110 0 50 FKAA C[C@H](CCc1ccccc1)NC(=O)C1c2ccccc2Oc2ccccc21 1140057 SATBWDBTOYGUSA-QGZVFWFLSA-N 357.453 5.062 0 50 FKAA C[C@H](NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1 1143586 WGTVQMDIQYWXGB-INIZCTEOSA-N 365.860 5.410 0 50 FKAA CCCc1sc(NC(=O)c2cccs2)nc1-c1cc(C)ccc1C 1180363 BPNXUTZAQZZHFC-UHFFFAOYSA-N 356.516 5.693 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(F)cc1 1180484 NQOUDRKYMRUCDR-UHFFFAOYSA-N 370.449 5.163 0 50 FKAA Cc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccccc1 1214679 MPVKXXKRGMEVTD-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA c1nc(Nc2ccc(N3CCCCC3)cc2)c2c3c(sc2n1)CCCC3 1776848 NSPYJNADFKOSNQ-UHFFFAOYSA-N 364.518 5.304 0 50 FKAA O=S(=O)(/C=C/c1ccccc1)Oc1c(Cl)cc(Cl)cc1Cl 1882025 MZOFHFZEKXZVQK-VOTSOKGWSA-N 363.649 5.026 0 50 FKAA in-vitro CC(C)c1cc(Cc2cc(C(C)C)c(N)c(C(C)C)c2)cc(C(C)C)c1N 2149449 KZTROCYBPMKGAW-UHFFFAOYSA-N 366.593 6.935 0 50 FKAA in-vitro COc1ccc(CC[C@H](C)Nc2cc(-c3ccccc3)ccc2OC)cc1 2896632 TUHBLVQFXQKHGG-SFHVURJKSA-N 361.485 5.804 0 50 FKAA O=S(=O)(c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 2905299 SBSBGBWPUQKVIN-UHFFFAOYSA-N 363.265 5.493 0 50 FKAA CC(C)(C)c1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 2982897 MQNGJGTUDLJVIB-UHFFFAOYSA-N 361.938 5.301 0 50 FKAA Fc1ccc(N2N=C(/C=C/c3cccs3)C[C@H]2c2cccs2)c(F)c1 4010577 DDEGZWICJZXZQI-DKFQHHCZSA-N 372.465 6.109 0 50 FKAA Cc1cccc(C)c1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 4541813 AEDNGUQVJMSDNG-UHFFFAOYSA-N 353.849 5.788 0 50 FKAA CCOc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542178 NKAOVWLEGXXNBN-WYMLVPIESA-N 367.832 5.651 0 50 FKAA Fc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3cccs3)C2)cc1 5073928 RZCSITDHGBXRQD-SFHVURJKSA-N 356.853 5.896 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)cc1 6341766 RGOBTVJUKQHQPX-UNMCSNQZSA-N 362.379 5.207 0 50 FKAA Cc1cc(C)cc(NC(=O)Nc2ccc(Br)cc2Cl)c1 13321270 RZQCYUDOWCUNRH-UHFFFAOYSA-N 353.647 5.363 0 50 FKAA O=C(c1cccs1)[C@H]1CN(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 13398202 HOSXHROOYHFETC-OALUTQOASA-N 367.901 5.504 0 50 FKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 786713 NGPURBDJUCTCAW-JTQLQIEISA-N 370.699 5.222 0 50 FKAA Cc1cc(C)c2oc(-c3cccc(NC(=O)/C=C/c4ccco4)c3)nc2c1 843722 SBYLFTOHKXGEDO-CMDGGOBGSA-N 358.397 5.357 0 50 FKAA Cc1ccc(-c2csc3ncn(Cc4ccccc4Cl)c(=O)c23)cc1 951885 SUGWESXWZDCLBD-UHFFFAOYSA-N 366.873 5.135 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)N[C@H](C)c2cc(OC)ccc2OC)cc1 1120596 GLYZPMSFLGUUDB-HUUCEWRRSA-N 372.534 5.265 0 50 FKAA CC(C)COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 1207091 QHTOJNRQGNMKJT-UHFFFAOYSA-N 352.459 5.097 0 50 FKAA CC[C@@H](c1cccc(Br)c1)[C@H](C(C)=O)c1ccc(OC)cc1 1717619 NQVHJSWFJDJKRQ-RBUKOAKNSA-N 361.279 5.324 0 50 FKAA CC[C@H](C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1 2849836 RPSUAWNAOYPUOR-IBGZPJMESA-N 356.425 5.627 0 50 FKAA CC(C)Cc1ccc(COc2ccc([C@@H](C)CC(=O)O)cc2)cc1Cl 4529093 ZFPPRHFYJIYXCM-HNNXBMFYSA-N 360.881 5.696 0 50 FKAA COc1ccc2c(c1)CCc1c-2nc2ccccc2c1NC1CCCCC1 5671012 PPHJYFSYXRPOMQ-UHFFFAOYSA-N 358.485 5.754 0 50 FKAA O[C@@](c1ccccc1)(c1cccs1)[C@@H](c1ccccc1)c1ccccn1 71767145 WBLWRRKGSJSNGM-GOTSBHOMSA-N 357.478 5.211 0 50 FKAA Cc1nccc(-c2ccccc2)c1-c1nc(-c2ccc(Cl)cc2)cs1 72447056 OJDDZOQTWWXFDV-UHFFFAOYSA-N 362.885 6.501 0 50 FKAA CC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C 86014448 MJYKYLNPIGDVEF-UHFFFAOYSA-N 361.535 6.734 0 50 FKAA CCCCCn1cc(C(=O)Oc2cccc3cccnc23)c2ccccc21 95705076 ZAVGICCEAOUWFM-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro Cc1ccc(C(=O)C(C(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 100706359 ZIPGYSSCZTUXKW-UHFFFAOYSA-N 369.675 5.355 0 50 FKAA O=C(c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)N1CCCC1 667637 XOXYCPLAOMWPGJ-UHFFFAOYSA-N 371.267 5.445 0 50 FKAA CCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1Cl 1120432 ROFBEVYETQDKCL-UHFFFAOYSA-N 351.833 5.658 0 50 FKAA O=C(Cc1ccccc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 1216622 FZUZYXDJCLQMQA-UHFFFAOYSA-N 361.832 5.065 0 50 FKAA Cc1cccc(NC(=O)c2csc(-c3ccccc3)c2-c2ccccc2)c1 3000308 HXKYFBDMDRAQHL-UHFFFAOYSA-N 369.489 6.643 0 50 FKAA CN(c1ccccc1)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3122350 QUISMZFZZJHVGQ-UHFFFAOYSA-N 373.862 6.175 0 50 FKAA O=C(Nc1ccc(F)c(Cl)c1)[C@@H](Sc1ccccc1)c1ccccc1 4616936 QPQKIDJJQKCIME-IBGZPJMESA-N 371.864 5.951 0 50 FKAA CC(C)=CCC[C@H](C)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 4980264 WUXVOUHDSBAPRZ-SFHVURJKSA-N 368.487 5.600 0 50 FKAA Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1Cl 13329921 UDQASPBCYCQTTG-JTQLQIEISA-N 357.668 5.838 0 50 FKAA CC1(C)CCC(C)(C)c2cc3cc(-c4cc(C(=O)O)cs4)ccc3cc21 13815318 URUSABQSUCBGGJ-UHFFFAOYSA-N 364.510 6.616 0 50 FKAA in-vitro CC(C)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 25868990 MSWDUZLRIJNMEH-IEBWSBKVSA-N 361.272 5.519 0 50 FKAA CCC[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 96135821 VAZPWEKNUUYTJP-KRWDZBQOSA-N 354.450 5.284 0 50 FKAA Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)c2cccs2)s1 170618984 RRKQPNHTUSCXLZ-CYBMUJFWSA-N 358.513 5.171 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1C[C@@H]1c1cccs1 1857798761 AFKORGWLKDUVRO-HOTGVXAUSA-N 360.438 5.299 0 50 FKAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1ccc(C(C)C)cc1 1875322824 JUQSKZVEZOKQEF-UHFFFAOYSA-N 359.274 5.193 0 50 FKAA Cc1ccc([C@@]2(CCNCc3ccccc3)CCO[C@H](C(C)C)C2)cc1 2238576 PGPBHEFCMXSXDQ-ZEQRLZLVSA-N 351.534 5.248 0 50 FKAA CCCCOC(=O)c1cccc(NC(=O)c2ccc(OCCCC)cc2)c1 2952707 ORZFIESHUHTUCU-UHFFFAOYSA-N 369.461 5.075 0 50 FKAA biogenic Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CCCC1)O2 5736187 USVBVNUUYAEWDK-GOSISDBHSA-N 373.283 5.807 0 50 FKAA Cc1ccccc1-c1cc(C(=O)Nc2ccncc2)c2cccc(Cl)c2n1 6401895 GKCFXOHMNRXFTE-UHFFFAOYSA-N 373.843 5.511 0 50 FKAA CCOc1ccc([C@H](Nc2cccc(C)c2)P2(=O)OCCCO2)cc1 22017861 GIVOUHYSOIHCAD-LJQANCHMSA-N 361.378 5.134 0 50 FKAA Ic1ccc(N(c2ccccc2)c2ccccc2)cc1 59636932 OWWVTWHBNAWUJO-UHFFFAOYSA-N 371.221 5.761 0 50 FKAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N(c1ccccc1)c1ccccc1 181988536 CCHNWQFFISRSJN-OAQYLSRUSA-N 374.488 5.132 0 50 FKAA C[C@]12CC[C@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 257356548 IYAFUOCOYSUWOG-IZWJSHCWSA-N 374.565 5.510 0 50 FKAA O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1Cl 636708 MOBSGIYCMBBWMI-UHFFFAOYSA-N 363.269 5.293 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1c(Cl)cc(Cl)cc1Cl 640994 SISLYJBFHYHYEH-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA CC1(C)[C@@H](C(=O)Nc2cccc(Cl)c2Cl)[C@@H]1C=C(Cl)Cl 677535 GDPJQCPHIWOVLO-WRWORJQWSA-N 353.076 5.523 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 678517 BUAZXIIAVSOZFA-ZDUSSCGKSA-N 352.459 5.073 0 50 FKAA Brc1ccc(Cc2cn3cc(-c4ccccc4)nc3s2)cc1 1164949 YKXPYSHFORAZOZ-UHFFFAOYSA-N 369.287 5.416 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc2ccccc2o1 1203796 PPAXOYBAQQKAMS-UHFFFAOYSA-N 370.433 5.962 0 50 FKAA COc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)c1 1211914 DCXBOLALGPAPQI-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA O=C(Nc1ccccc1-c1ccccc1)c1ccccc1Br 1230733 RXCQOUZMLRZRIR-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA Cc1ccc(OC[C@@H](C)NCCC(c2ccccc2)c2ccccc2)cc1 4072758 RCFBVLOOSWSAMK-OAQYLSRUSA-N 359.513 5.574 0 50 FKAA CCOc1cc(OCC)cc(C(=O)Nc2cccc(Cl)c2Cl)c1 4503042 AOGWTWKSAJRHDJ-UHFFFAOYSA-N 354.233 5.043 0 50 FKAA Cc1ccc(C)c(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)c1 4541818 QYMFOUBTZKHNMJ-UHFFFAOYSA-N 353.849 5.788 0 50 FKAA CCCCNC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C 4846131 SMHKNLHZFKIIAB-UHFFFAOYSA-N 356.579 5.549 0 50 FKAA Cc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)c(C)c1 8369644 RUMYJTKITKUXRG-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA CC[C@@H](C)c1ccc(-n2c(S)nnc2CSCc2ccccc2)cc1 17075806 UEEJASMZACZFCV-OAHLLOKOSA-N 369.559 5.503 0 50 FKAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cc2ccc(Cl)cc2n1C 215694959 FLDBLFYANXOYFE-SFHVURJKSA-N 369.896 5.230 0 50 FKAA Cc1nc([C@H](C)Sc2ncccc2Cl)oc1-c1ccc(Cl)cc1 253431375 PTGBHBUIGKGVEH-NSHDSACASA-N 365.285 6.205 0 50 FKAA O=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1O 1987974914 YLLWRBRYPHCHFG-UHFFFAOYSA-N 365.432 6.342 0 50 FKAA Cc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)c1 1140253 AXEHEDLWFHIURT-SFHVURJKSA-N 366.464 5.701 0 50 FKAA Cc1nc(-c2ccc(C(=O)Nc3cccc(Br)c3)cc2)cs1 1142557 RGKXTQDKMIXDHN-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA Cc1ccc(S(=O)(=O)c2ccc(Sc3ccc(C)c(C)c3)cc2)cc1 2472989 PSWFZWAPJGPZPZ-UHFFFAOYSA-N 368.523 5.596 0 50 FKAA CCOc1cc(C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 2835429 LFCKPLQQJLYSEC-UHFFFAOYSA-N 361.441 5.225 0 50 FKAA COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 2978996 MVINBOKMDUXJCB-UHFFFAOYSA-N 358.850 5.033 0 50 FKAA Cc1sc(-c2cccnc2)nc1OC(=O)c1ccc(Cl)c(Cl)c1 3116627 KCAVSROAUXYIFZ-UHFFFAOYSA-N 365.241 5.040 0 50 FKAA CCCC[C@H](CC)COC(=O)CCCCC(=O)OC[C@@H](CC)CCCC 3875703 SAOKZLXYCUGLFA-PMACEKPBSA-N 370.574 6.066 0 50 FKAA endogenous,in-man CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 4276613 CRRKVZVYZQXICQ-ZQEATNLPSA-N 358.522 5.086 0 50 FKAA biogenic,in-vitro CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC)cc3OC)ccc21 4704978 WLIPQLJNDFQJMD-UHFFFAOYSA-N 374.440 5.084 0 50 FKAA Cc1ccc(NC[C@@H](O)CN2c3ccccc3Sc3ccccc32)cc1 4817363 OHZWSYWBVLVKAG-GOSISDBHSA-N 362.498 5.071 0 50 FKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 4832649 WDXUQZGBHBUXKQ-NSHDSACASA-N 373.827 5.787 0 50 FKAA COc1cc(/C=C/c2ccc3cccc(OC)c3n2)cc(Cl)c1OC 5013623 YYXVSELGSNKKDZ-VQHVLOKHSA-N 355.821 5.084 0 50 FKAA OCCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5490536 GRNBFGSLPKZCBW-UHFFFAOYSA-N 366.484 5.358 0 50 FKAA Cc1ccc(-c2cccc(CN[C@@H](c3ccccc3)[C@@H](O)C(C)C)c2)cc1 1875317280 TVTIQGVFIVPUOI-DQEYMECFSA-N 359.513 5.510 0 50 FKAA COc1c(Cl)cc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1Cl 1166794 GSDULURMASQVSW-UHFFFAOYSA-N 372.251 5.506 0 50 FKAA Cc1ccc(Cl)c(O[P@](C)(=O)Nc2ccc(Cl)c(Cl)c2)c1 1234466 GGXOVWGMWGEJTO-NRFANRHFSA-N 364.596 6.269 0 50 FKAA CCCCN(CC)c1nc(C)nc2c1c(C)cn2-c1c(C)cc(C)cc1C 1539133 FHQYJZCJRZHINA-UHFFFAOYSA-N 364.537 5.589 0 50 FKAA in-vivo O=C(Nc1cccc(C(F)(F)F)c1)[C@]1(c2ccccc2)CC1(Cl)Cl 2067124 PTEJXOSDLFWBEK-OAHLLOKOSA-N 374.189 5.160 0 50 FKAA CC(C)(C)c1cc(C(=O)Nc2ccccc2C(=O)O)cc(C(C)(C)C)c1 2496524 FFTZKLPZEHXADB-UHFFFAOYSA-N 353.462 5.232 0 50 FKAA CC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 2967083 VXAJKOODEIYIMZ-UHFFFAOYSA-N 357.497 5.827 0 50 FKAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 12193143 OEVWYONPPNWYTA-ISKFKSNPSA-N 354.453 5.546 0 50 FKAA CC(C)COc1cccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)c1 12279931 SBYROYCXLZOGIP-UHFFFAOYSA-N 357.881 5.180 0 50 FKAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 20605143 NMMNRTACPQCRJM-UHFFFAOYSA-N 359.804 5.550 0 50 FKAA CC[C@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 918735971 FQCZQDHJAADEAG-DLBZAZTESA-N 357.803 5.133 0 50 FKAA CC(C)C1CCC([C@](C)(O)CNCc2ccc(-c3cccs3)cc2)CC1 2325842057 NDWLEWIABSSGET-POOLCLQXSA-N 371.590 5.718 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)Oc1ccc(Br)cc1 641442 PHLPEGZBVPOCLX-UHFFFAOYSA-N 361.022 5.367 0 50 FKAA O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)cc2)[C@H]1c1ccccc1 641485 SXSGVHJZJZZDDB-WOJBJXKFSA-N 369.873 5.022 0 50 FKAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1 798601 LWAJFMDKQSJQLO-UHFFFAOYSA-N 356.809 5.077 0 50 FKAA CCc1cc2c(=O)n(Cc3c(Cl)ccc(Cl)c3Cl)cnc2s1 958875 JRXSMSBAFUPVKX-UHFFFAOYSA-N 373.692 5.029 0 50 FKAA Cc1sc(NC(=O)COc2ccccc2C(C)C)nc1-c1ccccc1 959346 NOZUWYKTHDRGBA-UHFFFAOYSA-N 366.486 5.259 0 50 FKAA CSc1ccc(Cl)c(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 1140900 MUXGTQXRVOTTTJ-UHFFFAOYSA-N 371.893 5.117 0 50 FKAA Cc1cc(-c2noc(-c3cc(F)c(F)cc3Cl)n2)c2ccccc2n1 1432078 FEMXMDHZEHVEIE-UHFFFAOYSA-N 357.747 5.192 0 50 FKAA Cc1scc(C(=O)Nc2sc(C(C)C)cc2C(=O)OC(C)C)c1C 2730510 UQOONYDEFRYMRF-UHFFFAOYSA-N 365.520 5.367 0 50 FKAA Fc1ccc(C2=NN3[C@H](c4cccc(F)c4)Oc4ccccc4[C@H]3C2)cc1 6341774 RGOBTVJUKQHQPX-IRLDBZIGSA-N 362.379 5.207 0 50 FKAA CSc1ccc2cc(CN[C@@H](C)c3ccco3)c(OCC(C)C)nc2c1 12217362 SJFQBNOADWVIIC-HNNXBMFYSA-N 370.518 5.435 0 50 FKAA Clc1ccc(C2=N[C@H](C3CCCCC3)N3[C@@H](c4ccccc4)[C@H]23)cc1 19833605 YWYLMPYWIUGPLF-QYGYTYJESA-N 350.893 5.475 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)cc1 20603082 HDZQHBCYURYYTM-UHFFFAOYSA-N 353.347 5.473 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H](C)O 96300366 SHJQWWJDUAHTLY-ZVBGTZBRSA-N 359.554 5.405 0 50 FKAA in-vitro C/C(O)=C\[C@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 102278093 BXNFWCOAJXGXQP-ILRDDGFCSA-N 360.866 5.123 0 50 FKAA C1CCC([SnH2+](C2CCCCC2)C2CCCCC2)CC1 169744554 WSSWKXSQIKBUQR-UHFFFAOYSA-N 370.189 5.949 0 50 FKAA C1=CC2=CC[C@]34C2=C(C1)CPCc1cccc(c13)C[C@H]4c1ccccc1 263584563 WNSOXOMTYBAEBG-DHLKQENFSA-N 354.433 6.043 0 50 FKAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)C1C[C@@H]2CC[C@H](C1)O2 2325864137 HPPQBAHQJCFZQH-IOZLHOSZSA-N 357.837 5.028 0 50 FKAA Cc1c(C(=O)OC2CCCCCC2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 1461210 YUZFTDGOGGFXAI-AWEZNQCLSA-N 371.502 5.177 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)c1ccc(Br)cc1 2520632 JBBYSQNRIXHKKH-UHFFFAOYSA-N 355.684 5.468 0 50 FKAA Cc1ccc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)c2ccccc12 2752765 XZQCMERHWMLUMU-HZHRSRAPSA-N 363.416 5.646 0 50 FKAA COc1cccc(OCCCCOc2ccc(C)cc2Br)c1 2991192 GCGNNOOBUNUONR-UHFFFAOYSA-N 365.267 5.004 0 50 FKAA COc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OC)cc2)cc1 3877713 OQUQVMPOKFFROE-UHFFFAOYSA-N 372.428 5.134 0 50 FKAA COc1ccc([C@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)oc2C)cc1 12431268 YTQHSLIYVQSHSN-AWEZNQCLSA-N 370.880 5.505 0 50 FKAA Cc1ccc(C(=O)c2cn(CCCCCO)c3ccccc23)c2ccccc12 64859701 JRALTDRFXRCGRH-UHFFFAOYSA-N 371.480 5.497 0 50 FKAA in-vitro COc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)cc1 1100539 UQQGHKZADIOLNT-UHFFFAOYSA-N 364.426 5.126 0 50 FKAA CC(=O)[C@@H](C(=O)c1ccc(F)cc1)[C@@H]1c2ccccc2Oc2ccc(C)cc21 1155883 PUSPTFVNSPKPLD-DHIUTWEWSA-N 374.411 5.460 0 50 FKAA COc1cc2c(cc1NC(=O)[C@]1(C)CC1(Cl)Cl)oc1ccccc12 2873210 IMEPLWOWPFSZGR-KRWDZBQOSA-N 364.228 5.117 0 50 FKAA C[C@H](N[C@H]1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21)c1ccccc1 2973806 DNPTZGNAYOZYBV-BVZFJXPGSA-N 366.508 6.563 0 50 FKAA Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 4282023 BYKUNAMVQPMIQN-PXNSSMCTSA-N 366.873 5.644 0 50 FKAA COc1cc2c(cc1NC(=O)CCCc1ccccc1)oc1ccccc12 4548779 UOIWHYZPQRIUGN-UHFFFAOYSA-N 359.425 5.556 0 50 FKAA Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1C 1215616 PMNWNKAERCBFFW-UHFFFAOYSA-N 350.462 5.075 0 50 FKAA Cc1nn(C)c2nc3ccccc3c(Nc3ccc(-c4ccccc4)cc3)c12 2506207 AVAIIYXMODFGSW-UHFFFAOYSA-N 364.452 5.841 0 50 FKAA CCCCOc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2595226 FONJENBEGBHYNM-UHFFFAOYSA-N 353.249 5.816 0 50 FKAA CCCCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCC3 2895411 SUDQFGAOBRAJBO-UHFFFAOYSA-N 370.543 5.039 0 50 FKAA Cc1cc(Br)cc(C)c1OCCOc1cccc2cccnc12 2985783 GRGUCNFFPHMKKH-UHFFFAOYSA-N 372.262 5.072 0 50 FKAA CC[C@]1(C)C[C@@](CCNCc2ccc(F)cc2)(c2ccc(C)cc2)CCO1 4093982 RIFBHJUQIDTORA-RPWUZVMVSA-N 369.524 5.531 0 50 FKAA C[C@@H](OC(=O)Nc1cccc2ccccc12)C(F)(F)[C@H](F)C(F)(F)F 5722879 UEVPXDBUNGSYOL-RNCFNFMXSA-N 365.273 5.313 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 5739423 FHXPSLZXKSNXPY-UNMCSNQZSA-N 362.379 5.207 0 50 FKAA COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)c(OC)c1 8566684 LUCOAIDOBHJRCL-UHFFFAOYSA-N 372.424 5.134 0 50 FKAA COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1ccco1)C2 12279422 WUJDIOXJGBLLDM-UHFFFAOYSA-N 369.848 5.003 0 50 FKAA CCOc1ccc(-c2nc(CN3C[C@@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)c(C)o2)cc1 102362423 QNLJZQDGHAUKAC-NXWIVVFCSA-N 366.505 5.059 0 50 FKAA COc1ccc(C2=NN3[C@H](c4ccccc4C)Oc4ccccc4[C@H]3C2)cc1 248095595 NXOQQTKBXDGCHE-VWNXMTODSA-N 370.452 5.246 0 50 FKAA O=C(C[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(Sc2ccc(Cl)cc2)cc1 2325863397 ICASUUVRJMIWLL-VVFCZOMOSA-N 373.905 5.387 0 50 FKAA O=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)nc2ccccc12 1112846 XKOBDTNCSZUIKH-UHFFFAOYSA-N 362.429 5.032 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(C(=O)c2ccccc2)cc1 1154224 MTHVDRSLBZORTP-UHFFFAOYSA-N 369.342 5.189 0 50 FKAA Nc1c(C(=O)c2ccccc2)sc2nc(C3CC3)cc(-c3ccccc3)c12 1876333 QFHZEZQKEWTUKL-UHFFFAOYSA-N 370.477 5.654 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)NCCC1=CCCCC1 2131926 DDZDPWIBBLCNOZ-UHFFFAOYSA-N 356.293 5.159 0 50 FKAA C[C@@H]1CCCCN1c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 2818921 SDNPYSMPXDAXEH-CQSZACIVSA-N 352.865 5.227 0 50 FKAA CCCCc1cc(=O)oc2cc(OCc3ccccc3F)c(Cl)cc12 2918311 SGGAZQWTKAMLFC-UHFFFAOYSA-N 360.812 5.507 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccccc1)c1ccccc1 2979160 NNTQFHDCZVWNDR-XSFVSMFZSA-N 367.370 5.885 0 50 FKAA CCCSc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 4731914 PFUMNFHXSZVWQT-UHFFFAOYSA-N 374.531 5.053 0 50 FKAA CCCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1C1CC1 6400340 IUNAPHNXTVXXEL-UHFFFAOYSA-N 370.547 5.290 0 50 FKAA C[C@H](c1ccc(Cl)cc1)n1c(S)nnc1-c1cccc(Cl)c1 8816137 VFOAKPMZNGMKCN-SNVBAGLBSA-N 350.274 5.150 0 50 FKAA CCCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 13476539 JTJAMXUOXJGSCW-UHFFFAOYSA-N 369.508 6.833 0 50 FKAA in-vitro c1ccc(-c2ncn(C[C@@H]3CCCCO3)c2-c2ccnc3ccccc23)cc1 65461029 GMZPQEQYRVPWEO-IBGZPJMESA-N 369.468 5.334 0 50 FKAA CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2)c2ccccc2)CC1 255187941 HULVTHHCVMDEHS-UHFFFAOYSA-N 366.505 5.093 0 50 FKAA in-vitro CCC[C@@H]1C=CCN1C(=O)c1cccc(-c2cccc(CN3CCCC3)c2)c1 426683825 NVDKRSYSWPDBKR-XMMPIXPASA-N 374.528 5.130 0 50 FKAA Cc1cc(Cl)ccc1-n1nc(-c2cccnc2)nc1CC1=CCCCC1 1875348278 LPUXIGSSEAYSLD-UHFFFAOYSA-N 364.880 5.334 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 4809675 WNJBJBRLEHFHKL-UHFFFAOYSA-N 369.468 5.551 0 50 FKAA Cc1ccccc1-n1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O 5068109 VKAOFXFEHOFWCG-NTCAYCPXSA-N 372.855 5.518 0 50 FKAA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2)C1 5902109 XOSXEQXGZGALIS-LLVKDONJSA-N 362.926 5.387 0 50 FKAA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)s1 15867136 ZJIRFTIUYHOSEE-MRXNPFEDSA-N 350.434 5.484 0 50 FKAA CC[C@@H](NC(=O)CCCn1ccc2cc(Cl)ccc21)c1ccccc1 2325869183 BNGYODZOGJKVCE-LJQANCHMSA-N 354.881 5.342 0 50 FKAA COc1ccc2c(c1)-c1c(sn(-c3ccccc3)c1=S)C(C)(C)N2 655302 OSCXEQXDSDJNKX-UHFFFAOYSA-N 354.500 5.604 0 50 FKAA aggregator COc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)cc1Cl 755766 FKOXQMPCQNKYJL-JXMROGBWSA-N 359.853 5.133 0 50 FKAA CCOc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 1151695 CAEJDUVXGGUKGY-ZDUSSCGKSA-N 372.534 5.132 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc2c1 1216566 BIGKQIJRULIAAJ-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA Cc1ccc(-c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2593154 YTYUZWXMEYNQIA-UHFFFAOYSA-N 367.242 5.644 0 50 FKAA COC(C(=O)Nc1ccc(C(C)C)cc1)(c1ccccc1)c1ccccc1 2785232 MGVKEECHFRAONU-UHFFFAOYSA-N 359.469 5.339 0 50 FKAA Cc1ccc(C(C)C)c(O[C@]2(c3ccccc3)OC(=O)c3ccccc32)c1 4811578 ASVNLELWHGKWNF-XMMPIXPASA-N 358.437 5.569 0 50 FKAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NC3CCCCCC3)c2c1 6401240 XXHODGBXYXUZKM-UHFFFAOYSA-N 359.473 5.058 0 50 FKAA CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)O 16698261 WDUQJXKBWRNMKI-UHFFFAOYSA-N 370.574 6.654 0 50 FKAA in-vitro CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2nc(C(C)C)cs2)C1 19218750 FCCWHFWWQMEDDQ-OAHLLOKOSA-N 374.575 5.083 0 50 FKAA Fc1cccc(Cl)c1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 25781672 HCXWBAZKODSCAK-OXJNMPFZSA-N 368.795 5.314 0 50 FKAA CC(C)[C@@H]1CC[C@]2(C)CO[C@@H]([C@@H]3CC(=O)[C@]4(C)CC[C@H]5[C@H](C)CC[C@@]534)[C@H]12 71786100 LHWJUJBEAYNUQJ-DGBWYXTRSA-N 358.566 5.495 0 50 FKAA CCCCCn1cc(C(=O)Oc2cncc3ccccc23)c2ccccc21 95726741 JGSBWZAKRSPZEM-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro COc1ccc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c2cccnc12 96140847 IFAVVKPUIBJVOG-UHFFFAOYSA-N 362.473 5.169 0 50 FKAA CCCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1CCCc2cccnc21 242178808 XBASAYZSBQIWCF-XUVXKRRUSA-N 368.908 5.155 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OC(F)F)cc1 653400 MQGZDRKKJOWVJG-UHFFFAOYSA-N 365.685 5.213 0 50 FKAA O=C(Nc1cc(F)c(F)cc1Cl)NC(c1ccccc1)c1ccccc1 706635 XGHMAURHBBKNDD-UHFFFAOYSA-N 372.802 5.529 0 50 FKAA O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Br)cc1 1017166 CDMIHGQCTYFCMF-UHFFFAOYSA-N 368.230 5.494 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3C)cc2)cc1 1058278 MDBCIGCPFQKJRH-UHFFFAOYSA-N 361.510 5.526 0 50 FKAA O=C(COc1ccc2ccccc2c1)Nc1ccccc1Oc1ccccc1 1117204 DJWUKQJOLIREHM-UHFFFAOYSA-N 369.420 5.650 0 50 FKAA CC(C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)nc2c1 1166777 SLMADYGZRGJZCD-ZRDIBKRKSA-N 372.424 5.863 0 50 FKAA CCc1ccc(NC2=C3C[C@@H](C)CC=C3N(c3ccc(CC)cc3)C2=O)cc1 1423033 ZZALSJGKIJVRLJ-KRWDZBQOSA-N 372.512 5.838 0 50 FKAA O=C(CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 1746370 MEEGNRHCRQNQSZ-UHFFFAOYSA-N 361.491 5.938 0 50 FKAA biogenic CCc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1 2733738 CAVSJMGXTHPTGV-UHFFFAOYSA-N 363.411 5.896 0 50 FKAA c1ccc2c(c1)CCc1ccccc1C2SCCCN1CCCCC1 96027583 VHCGUDUCEFRYNP-UHFFFAOYSA-N 351.559 5.484 0 50 FKAA CC(C)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 263588332 RXPHDDOTKMYNAJ-HXUWFJFHSA-N 362.477 5.445 0 50 FKAA Cc1ccc(C(=O)Nc2sc(-c3cccnc3)nc2-c2ccccc2)cc1 1857799742 YFTPBAWGDQYUJN-UHFFFAOYSA-N 371.465 5.433 0 50 FKAA O=C(NC(CC1CCCC1)CC1CCCC1)c1ccc(CC2CC2)s1 2325853427 PJQPJSQBKUXLCA-UHFFFAOYSA-N 359.579 5.960 0 50 FKAA CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 952833 AEIOIMJJFMDCSH-UHFFFAOYSA-N 374.362 5.482 0 50 FKAA COc1cccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 992687 PGDVGXXUOVZXFL-UHFFFAOYSA-N 353.805 5.393 0 50 FKAA Cc1cccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C 1149476 YGQHYOBCDFDZEE-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1 2053530 LLBRAHRRJFQOCR-RUZDIDTESA-N 373.471 5.961 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 2566718 QUGPTPQSYDTTPP-UHFFFAOYSA-N 358.652 5.445 0 50 FKAA Cc1cccc(OC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)c1 2578182 MMQZHDFEBNLDPM-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA CC[C@H]1CCCCN1C(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 2737836 BXMVCOFNMBODBB-IBGZPJMESA-N 358.485 5.615 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCCc1ccccc1 2739778 RGLBGQYZBOWXEB-UHFFFAOYSA-N 368.864 5.056 0 50 FKAA CCCS(=O)(=O)c1ccc(COc2ccc(C3CCCCC3)cc2)cc1 2862847 VPBIGGQKLMEJPF-UHFFFAOYSA-N 372.530 5.497 0 50 FKAA CCc1ccc2oc(-c3ccc(C)c(C(=O)N/C=C/c4ccco4)c3)nc2c1 2998850 QAGHGDUZICAGPH-ZHACJKMWSA-N 372.424 5.359 0 50 FKAA Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2)cc1 8577753 BXDJGNOSYSCKOH-IBGZPJMESA-N 361.470 5.136 0 50 FKAA aggregator Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(c2ccncc2)CC1 12448801 RXNZGZLMPDFMIG-UHFFFAOYSA-N 367.880 5.078 0 50 FKAA Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c(C)c1 25583206 UNZABWFVULZZMA-ISKFKSNPSA-N 372.443 5.685 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1cscn1 169745200 YYQKQPYPLADFMK-UHFFFAOYSA-N 374.182 5.199 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C=CCC[C@]4(C)[C@@H]3CC[C@@]12C 253609447 RLHIRZFWJBOHHD-PWGWTGGKSA-N 368.649 8.194 0 50 FKAA Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1ccccc1Cl 496424666 VAOLQTUZKQSAHG-ZDUSSCGKSA-N 354.837 5.137 0 50 FKAA COc1ccccc1[C@@H]1CC[C@H](C)CN1c1nc2cc(F)c(F)cc2s1 1875307928 WQBCCNKLJSENTL-SJCJKPOMSA-N 374.456 5.561 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(C(C)(C)C)c1 942351 XZJJKQJWSPMOPB-UHFFFAOYSA-N 365.395 5.329 0 50 FKAA C[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 1114478 FLPYLGADKZOORY-LBPRGKRZSA-N 360.240 5.744 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 1659656 WHRDGOGJILITBG-UHFFFAOYSA-N 370.452 6.045 0 50 FKAA Cc1ccc(-c2cc(OC(=O)c3ccccc3)cc3sc(=O)oc23)cc1 1748229 RSAQBNHTTMBBHS-UHFFFAOYSA-N 362.406 5.049 0 50 FKAA biogenic Cc1nn(-c2ccccc2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 2733865 UCKZVEVANQFDNM-UHFFFAOYSA-N 353.347 5.473 0 50 FKAA CCOC(C(=O)Nc1ccc(C(C)C)cc1)(c1ccccc1)c1ccccc1 2736069 MXIJIKKXROHQTD-UHFFFAOYSA-N 373.496 5.729 0 50 FKAA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3c(c2)oc2ccccc23)c1 2854722 HBQOCUJJWWIENE-UHFFFAOYSA-N 374.465 5.330 0 50 FKAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc([C@@H](C)CC)cc2)cc1 2985791 ABHDBXUAKZJJGE-HNNXBMFYSA-N 370.518 5.116 0 50 FKAA Cc1ccc(C(C)C)c(OCc2ccccc2C(=O)NC2CCCC2)c1 4761500 VGWQUPYRIZTIAJ-UHFFFAOYSA-N 351.490 5.370 0 50 FKAA Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 5927173 ZLNXWIMQMQWAGJ-UHFFFAOYSA-N 356.665 5.183 0 50 FKAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccc2cc[nH]c2c1 194259600 GZWFLFYOTGMBJV-CYBMUJFWSA-N 356.495 5.281 0 50 FKAA CCOc1ccccc1-c1nc(CN2CC[C@@H]3CCCC[C@H]3C2)c(C)o1 200583704 PZIIQIPJFSLCAQ-ROUUACIJSA-N 354.494 5.061 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NCC[C@]4(C)[C@@H]3CC[C@@]12C 252441351 SAWPPQLIWVGNDH-QQIMNDNASA-N 359.642 6.670 0 50 FKAA CCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCC)c(C)c2)cc1C 670595 QSEHOFOJZGEXCG-UHFFFAOYSA-N 352.478 5.448 0 50 FKAA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccc(Cl)cc2)o1 1100089 XEOSWTAGNFHZNG-UHFFFAOYSA-N 355.865 5.155 0 50 FKAA Cc1cccc(C)c1NC(=O)CCCCC(=O)Nc1c(C)cccc1C 2767947 ATOCHVBXBHHMCJ-UHFFFAOYSA-N 352.478 5.058 0 50 FKAA Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 4811326 LNECCGXDZZLMBE-FYYLOGMGSA-N 374.871 5.891 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 5379946 NBOIPKMDBGTJSJ-UHFFFAOYSA-N 356.680 6.197 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccncc1)O2 13036335 AZJUQTDOIDJAGX-APWZRJJASA-N 367.861 5.039 0 50 FKAA O=C(NCc1ccc(Cl)cc1Cl)Nc1ccccc1Br 13745465 IDNYJQBJGMKKLI-UHFFFAOYSA-N 374.065 5.078 0 50 FKAA CC[C@@H](C(=O)SCCN(CC)CC)c1ccc(-c2ccccc2)cc1 33956457 PFNLUFYAGHJNKJ-OAQYLSRUSA-N 355.547 5.449 0 50 FKAA in-man Cc1c(Br)c(C(C)(C)C)cc(C(C)(C)C)c1Br 71787063 SNGMGYIBLYQYND-UHFFFAOYSA-N 362.149 6.115 0 50 FKAA Clc1cc(Cl)c(OCc2cscn2)cc1OCc1cscn1 170620907 NASNZWRUQKMHPH-UHFFFAOYSA-N 373.286 5.064 0 50 FKAA COc1cccc([C@@H]2CCCN2C(=O)c2cccc(-c3ccncc3C)c2)c1 426489921 PBBBZLXXOGJVFH-QHCPKHFHSA-N 372.468 5.043 0 50 FKAA Fc1cccc(-c2ccc(Nc3cccc(CNC4CC4)c3)nc2)c1F 2356166315 SLIYHIYKEICIDC-UHFFFAOYSA-N 351.400 5.022 0 50 FKAA COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(C)=O)c(N)c23)cc1 663657 HSWOVGOVZQWXMH-UHFFFAOYSA-N 374.465 5.424 0 50 FKAA Cc1cccc(-c2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c1 669762 GINOSBLAYNMYHW-UHFFFAOYSA-N 366.464 5.183 0 50 FKAA CCOc1ccc(-c2nc(NC(=O)c3ccccc3C)sc2C)cc1 1186804 BOJLBOLXOCGRMI-UHFFFAOYSA-N 352.459 5.078 0 50 FKAA COc1cc2ccccc2cc1C(=O)Nc1ccc(Br)cc1F 2970375 MWNOOGCXEPHHHE-UHFFFAOYSA-N 374.209 5.002 0 50 FKAA COc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 3242538 CSWHYHPUEDNIQY-UHFFFAOYSA-N 367.857 5.792 0 50 FKAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1cc(Cl)ccc1Cl 5094727 JUMVOVXPCVNFMX-UHFFFAOYSA-N 372.679 5.753 0 50 FKAA COc1ccc(-c2nc(CN(C)[C@@H](C)c3cccs3)c(C)o2)c(C)c1C 11843606 JWRSAEJCQYOLHS-HNNXBMFYSA-N 370.518 5.530 0 50 FKAA COc1ccc(-n2nc(C3CC3)c3c(C(F)(F)F)cc(C4CC4)nc32)cc1 20615453 KWIDIMTUAJAJRV-UHFFFAOYSA-N 373.378 5.203 0 50 FKAA O=C(c1ccc(-c2ccc(F)cc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 71762791 LDIXKSCVYWJWPO-LJQANCHMSA-N 374.459 5.298 0 50 FKAA CCCCC[C@H]1CC[C@H]([C@H]2CC[C@@H](c3cc(F)c(F)c(F)c3)CC2)CC1 1857777609 TXHFUCYJBLLNIG-UGLKCIBTSA-N 366.511 7.764 0 50 FKAA Cc1cccc(NC(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H]2c2ccccc2)c1 1875318880 YBKYIXSMLKWUEA-XPWALMASSA-N 356.469 5.662 0 50 FKAA CCCC(=O)Nc1ccc(-c2csc(-c3c(F)cccc3F)n2)cc1 1875330287 WICFSZAGRCNQBY-UHFFFAOYSA-N 358.413 5.494 0 50 FKAA CCCCc1oc2ccccc2c1C(=O)Nc1ccc(CN(C)C)c(C)c1 2325862925 NYFAFFVVQDSSHR-UHFFFAOYSA-N 364.489 5.398 0 50 FKAA O=C(NCCCCc1ccccc1)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 2325866250 FPJDGKGSXHZKHR-FPOVZHCZSA-N 370.924 5.298 0 50 FKAA Cc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc(C)c1Cl 726182 DJQVSMMIWGCSRZ-UHFFFAOYSA-N 373.924 6.221 0 50 FKAA Clc1cccc(N2CCN(C3CCC(c4ccccc4)CC3)CC2)c1 757088 LOHULHGTJRAGCN-UHFFFAOYSA-N 354.925 5.188 0 50 FKAA Cc1c(C(=O)Nc2ccc(OC(F)F)cc2)oc2ccc(Cl)cc12 1051682 VNBLUZBSJFJIHV-UHFFFAOYSA-N 351.736 5.248 0 50 FKAA Cc1nc(S[C@H](C(=O)c2ccccc2)c2ccccc2)nc2c1CCCC2 1111549 QJCHPGSFVSMSDN-QFIPXVFZSA-N 374.509 5.380 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 1210763 PTVSOCNBEZBRJC-UHFFFAOYSA-N 360.388 5.449 0 50 FKAA Cc1nc(-c2ccccc2)sc1C(=O)CSc1nc2ccccc2o1 1390130 WBILINMDTPQLEW-UHFFFAOYSA-N 366.467 5.235 0 50 FKAA CCCOc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)c1 2750503 JHJDEEUYUANTOX-UHFFFAOYSA-N 374.412 5.129 0 50 FKAA CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 2828463 RUPVTXMOTDUUIO-JLHYYAGUSA-N 356.853 5.121 0 50 FKAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(Cl)cc1 4122461 CFLVXSRETZWIJZ-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3cccc(C)c3)cc21 4868744 WWUFVEICLYNTLN-UHFFFAOYSA-N 370.452 5.031 0 50 FKAA CC[C@H](C)c1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 5984838 LIPSTZJOPWNOMD-LBPRGKRZSA-N 353.849 6.075 0 50 FKAA CC(C)c1ccc(OC[C@@H](C)N[S@](=O)c2ccc3ccccc3c2)cc1 8462566 CNSKUMVSTFPOLQ-QUGAMOGWSA-N 367.514 5.043 0 50 FKAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC[C@H]1c1cccnc1 12430111 AVLJVCGYIWDRPF-FQEVSTJZSA-N 367.880 5.426 0 50 FKAA Clc1ccc(OC[C@H]2CO[C@@H](c3ccc(-c4ccccc4)cc3)O2)cc1 641475 VTTSPGTWSUGSNI-FCHUYYIVSA-N 366.844 5.500 0 50 FKAA Cc1ccc(C)c(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)c1 1074190 DBGCMUXYOXRIHR-UHFFFAOYSA-N 372.493 5.510 0 50 FKAA c1ccc2sc(CCSCCc3nc4ccccc4s3)nc2c1 2674836 FLYMAMNLHGCMEC-UHFFFAOYSA-N 356.541 5.424 0 50 FKAA O=C(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(C(F)(F)F)cc1 4783697 USEFNEAIZMFHQK-UHFFFAOYSA-N 359.347 5.583 0 50 FKAA Cc1sc(NC(=O)c2cccs2)nc1C12CC3CC(CC(C3)C1)C2 4958059 ACBLNQCLKKRKOT-UHFFFAOYSA-N 358.532 5.233 0 50 FKAA C(=C/c1ccccc1)\CN1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 22586420 RRVZXUUVUWKITG-JXMROGBWSA-N 368.524 5.185 0 50 FKAA Clc1ccc(SC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 59602183 XGJYZGNXLBHJJP-UHFFFAOYSA-N 365.929 5.906 0 50 FKAA Cc1cc2nc(C(C)C)cc(N[C@@H](c3ccncc3)c3ccccc3C)n2n1 72422267 NYBYJPCQDQMZPB-QHCPKHFHSA-N 371.488 5.066 0 50 FKAA COc1ccc(C2=NN3[C@H](c4ccccc4F)Oc4ccccc4[C@H]3C2)cc1 245238567 UPFAZVRPKZDUQP-GGAORHGYSA-N 374.415 5.077 0 50 FKAA Cc1ccc2c(CC(=O)N(CCC(F)(F)F)Cc3ccccc3)c[nH]c2c1 252478101 ADPZODFEEVCTGX-UHFFFAOYSA-N 374.406 5.000 0 50 FKAA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2C(=O)c1ccccc1F 1150226 RKICTQKACMXNDI-XLIONFOSSA-N 359.444 5.705 0 50 FKAA O=C(Cc1ccc(-c2ccccc2)cc1)N(c1ccccc1)c1ccccc1 2861963 LMVAJGXNQCAXSV-UHFFFAOYSA-N 363.460 6.261 0 50 FKAA COc1cccc(-c2cc(C(=O)N[C@@H](C)C(C)(C)C)c3ccccc3n2)c1 2867588 IQJTTWRBQLSDMB-HNNXBMFYSA-N 362.473 5.075 0 50 FKAA CC(C)c1ccccc1Oc1c(C(F)(F)F)oc2cc(O)ccc2c1=O 5464250 JKYKZEIZTUXOJA-UHFFFAOYSA-N 364.319 5.433 0 50 FKAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(CC2CC2)CC1 11844445 KCFYIRMUECLVJM-UHFFFAOYSA-N 368.908 5.068 0 50 FKAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC[C@@H]1c1nccs1 12092407 RPRCLCGLRWZMSN-QGZVFWFLSA-N 373.909 5.487 0 50 FKAA CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(Br)cc1 15960728 YKMGQAYJWNHHKJ-JLHYYAGUSA-N 358.279 5.226 0 50 FKAA Cc1c([C@@H](C)NCc2ccccc2C(F)(F)F)cnn1-c1ccccc1 55244010 ISRHRDIMBDXWLQ-CQSZACIVSA-N 359.395 5.050 0 50 FKAA Clc1ccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 55544047 MJGNPVDNOOVJSN-UHFFFAOYSA-N 362.904 5.329 0 50 FKAA c1ccc(CCCOc2cccc(CNc3ccc4c(c3)COCC4)c2)cc1 1875318571 UJZUHTZPKCQUNZ-UHFFFAOYSA-N 373.496 5.383 0 50 FKAA Cc1ccc([C@H]2C[C@@H](c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 634027 GFAWITCFSGDEFK-XZOQPEGZSA-N 366.468 5.400 0 50 FKAA O=C(CCCc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 692864 AUMJVYMEYBPHLI-UHFFFAOYSA-N 355.441 5.191 0 50 FKAA Clc1ccc(Nc2ncc(Cc3cccc4ccccc34)s2)cc1 939109 RYGYJGZHZCBEDT-UHFFFAOYSA-N 350.874 6.284 0 50 FKAA O=C(Nc1cccc(NC(=O)c2cccc3ccccc23)c1)c1ccccc1 1228887 KXVLTFDOANFOIP-UHFFFAOYSA-N 366.420 5.344 0 50 FKAA CC(C)CCC[C@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2110999 HXWPYCIMJMUQQY-RXVVDRJESA-N 355.547 5.851 0 50 FKAA Cc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccc(C)o5)cc4c3c2C)cc1 4707947 HVPOFJZVAWWTNP-UHFFFAOYSA-N 369.468 6.080 0 50 FKAA COCC1(Cn2cnc(-c3ccccc3)c2-c2cccc3cnccc23)CC1 65430442 AFLGSJAUOPCWLP-UHFFFAOYSA-N 369.468 5.192 0 50 FKAA CN(C)c1ccc(C2O[C@@H](c3ccccc3)C[C@H](c3ccccc3)O2)cc1 253476164 SJRMPIVJJKXQPC-DHIUTWEWSA-N 359.469 5.671 0 50 FKAA CSc1cccc(CN(C(=O)c2ccc3sc(C)nc3c2)C(C)C)c1 952976259 FDMHBBVIPYEKJM-UHFFFAOYSA-N 370.543 5.377 0 50 FKAA Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)c1cc(C(C)C)[nH]n1 1875320658 UFNUFYCOVINSSQ-GFCCVEGCSA-N 373.453 5.022 0 50 FKAA CC1=CC(C)(C)N(C(=O)c2ccc(Br)cc2)c2ccccc21 755710 LKXLGTOGXRIMLQ-UHFFFAOYSA-N 356.263 5.291 0 50 FKAA CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2o1 1124865 HZGIDYCIVXGFHM-ZDUSSCGKSA-N 352.459 5.073 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)nc2c1 1169819 RXHSAIVZLMNHRZ-UHFFFAOYSA-N 369.635 5.112 0 50 FKAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2ccccc2c1 1182372 VMLMCHSQVZSMLX-UHFFFAOYSA-N 360.240 5.473 0 50 FKAA O=C(Nc1ccc2ccccc2c1)c1cc(Br)ccc1Cl 1216768 NZKLGCGLOKUSSD-UHFFFAOYSA-N 360.638 5.508 0 50 FKAA O=C1c2ccccc2N[C@H](c2c(Cl)cccc2Cl)N1Cc1ccco1 2285440 UMSDIGICNVUILO-SFHVURJKSA-N 373.239 5.353 0 50 FKAA Cc1ccc(OCc2ccc(-c3n[nH]c(=S)n3CC(C)C)o2)c(C)c1 2793557 SQXVEMRECWIDCY-UHFFFAOYSA-N 357.479 5.053 0 50 FKAA O=C(CCSc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 2877112 VAEZHUKZDHIAAV-UHFFFAOYSA-N 360.693 5.768 0 50 FKAA CCCCc1cc(=O)oc2cc(OCc3ccccc3OC)c(Cl)cc12 2882780 XJJKVCWGUIVZPB-UHFFFAOYSA-N 372.848 5.377 0 50 FKAA biogenic Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3[C@@H]2C)c1C 3633836 LECZXZOBEZITCL-INIZCTEOSA-N 362.452 5.100 0 50 FKAA in-man C[C@H](c1ccc(Cl)cc1)n1c(S)nnc1-c1ccc2ccccc2n1 6129648 BCVLSNDPGDOOHP-GFCCVEGCSA-N 366.877 5.045 0 50 FKAA OC1=NC(=S)S/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 17145896 UOUZZHXIEFYNRG-MFOYZWKCSA-N 368.458 5.158 0 50 FKAA CCOc1ccccc1-c1nc(CN(C)Cc2sccc2C)c(C)o1 20600476 JKIXYAYEIOZTEC-UHFFFAOYSA-N 356.491 5.051 0 50 FKAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609827 RPKLZQLYODPWTM-ABPVGNMRSA-N 360.582 6.536 0 50 FKAA CSc1ccccc1-c1cccc(C(=O)N(C)CC[C@H]2CCCCO2)c1 299802412 LQPNYMRXIOPISS-LJQANCHMSA-N 369.530 5.107 0 50 FKAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1C(C)C 1875325465 YJYVGPGJXRRONS-UHFFFAOYSA-N 361.507 5.051 0 50 FKAA Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OC[C@@H](C)CC(C)(C)C)c1C 1875357703 STDIHBFJYOLLMZ-LBPRGKRZSA-N 367.555 5.579 0 50 FKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(Cl)c1 809784 JKUBVLAKMQEWFB-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA O=C1C(Nc2ccc(F)cc2)=C[C@H](c2ccccc2)N1c1ccc(F)cc1 843901 AWYDFJFYGDRQMB-OAQYLSRUSA-N 362.379 5.049 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)cc1F 1119363 GAKFXJCJRKACHX-UHFFFAOYSA-N 354.356 5.188 0 50 FKAA O=S(=O)(c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 1233166 IHVUBKMKCKFUOO-UHFFFAOYSA-N 373.886 5.332 0 50 FKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1Cl 2493936 QMKPTUKYRKGZQJ-UHFFFAOYSA-N 369.462 6.206 0 50 FKAA Cc1c(Cl)cccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 2857644 YQMHBRACJGUTPO-UHFFFAOYSA-N 368.889 6.250 0 50 FKAA COc1ccc([C@]2(C)CCc3oc4ccc(C)cc4c3-c3oc(C)cc32)cc1 3846783 QRWHMOSHKHAPLG-VWLOTQADSA-N 372.464 6.570 0 50 FKAA biogenic CC(=O)Oc1cc(-c2nc3ccccc3o2)cc(-c2nc3ccccc3o2)c1 4487586 JTKSSNFPKYSHDM-UHFFFAOYSA-N 370.364 5.228 0 50 FKAA CN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)c1ccccc1 4986079 RAZSEJHXYSHZAL-OAQYLSRUSA-N 369.549 5.153 0 50 FKAA CCOc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1 5032398 IIGDNZDUZIYRSX-XMMPIXPASA-N 374.528 5.632 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@](C)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 5229271 PRTAHSZPJNARHZ-JHHQKPEOSA-N 372.549 5.476 0 50 FKAA CCOc1ccc2c3c1C(C)(C)C[C@]3(C)N(c1ccc(F)cc1)C(O)=N2 9013371 BJSAOGYMEHIPDG-NRFANRHFSA-N 354.425 5.187 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21 42966603 NLUGKAUYCBHVKU-UHFFFAOYSA-N 369.508 6.778 0 50 FKAA in-vitro O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCC[C@H](c2ccccc2)CC1 71721619 ZDPSWAJIHODAGK-IBGZPJMESA-N 374.459 5.298 0 50 FKAA CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)no2)cc1 79047850 PDTXSIGPZDVVIX-UHFFFAOYSA-N 351.402 5.276 0 50 FKAA CC1(C)c2ccccc2-c2ccc(Nc3cccc(-c4ccccc4)c3)cc21 148284919 SLMLVHPSGBYQPA-UHFFFAOYSA-N 361.488 7.404 0 50 FKAA Clc1ccc(C2=N[C@H](C3CCCCC3)N3[C@H]2[C@H]3c2ccccc2)cc1 254302137 YWYLMPYWIUGPLF-YRRIFNBVSA-N 350.893 5.475 0 50 FKAA COc1ccc([C@@H]2C[C@]23CCC[C@]2(C[C@H]2c2ccc(OC)cc2)C3=O)cc1 299849661 POPRWUSLIHMTDH-NEUULRRLSA-N 362.469 5.104 0 50 FKAA Cc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@@H](c2ccco2)C1 408525698 VKTLNEUNUVEYRJ-LJQANCHMSA-N 364.832 5.233 0 50 FKAA Cc1cc(C)cc(-n2c3ccccc3c3cc(Br)ccc32)c1 952959193 RSNROIVDIAMOTI-UHFFFAOYSA-N 350.259 6.163 0 50 FKAA CC(C)(C(=O)N1CC[C@@H]2CCCCC[C@H]2C1)c1ccc(F)c(Cl)c1 2325825362 NLGMCDVAAHMNOM-GJZGRUSLSA-N 351.893 5.186 0 50 FKAA Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(Cl)cc3)c(C)c12 709365 PWMBGXSHTBODPT-UHFFFAOYSA-N 352.773 5.040 0 50 FKAA biogenic Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 830066 UWNZHEUXPBJYST-UHFFFAOYSA-N 360.438 5.230 0 50 FKAA Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1C(C)C 946948 CDGMJOVSNNWXJI-UHFFFAOYSA-N 351.368 5.155 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1C 995273 JBFQTTDSJJOSHM-IAGOWNOFSA-N 372.512 5.637 0 50 FKAA CCc1ccc(OCc2cccc(C(=O)Nc3c(C)cccc3C)c2)cc1 1003295 SNZXJRZYHWPCTA-UHFFFAOYSA-N 359.469 5.697 0 50 FKAA COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(C)cc(C)c1 1119888 MTLPVPDWLUKTLE-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc2ccccc12 1215741 MMNGTGLHZLIRRD-UHFFFAOYSA-N 364.876 5.736 0 50 FKAA Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1C 1248432 YBGSRFYYKKTJNU-UHFFFAOYSA-N 358.854 5.119 0 50 FKAA O=C(NCCOc1ccccc1-c1ccccc1)c1cccc2ccccc12 2874690 TVGCVDJAEXGOIO-UHFFFAOYSA-N 367.448 5.316 0 50 FKAA COc1ccc(-c2csc3nc(-c4ccc(Cl)cc4)oc(=O)c23)cc1 4154550 FFMSMPHEEAENQS-UHFFFAOYSA-N 369.829 5.246 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2Cl)o1 4542032 SUUAJCNPOPXZAR-UHFFFAOYSA-N 365.738 5.871 0 50 FKAA O=c1oc2cc(OCc3ccc(Cl)cc3Cl)ccc2c2c1CCC2 5091980 ZWJCUBHITAFCOG-UHFFFAOYSA-N 361.224 5.168 0 50 FKAA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)s1 15867135 ZJIRFTIUYHOSEE-INIZCTEOSA-N 350.434 5.484 0 50 FKAA CC(=O)[C@H](C(=O)c1ccc(F)cc1)[C@H]1c2ccccc2Oc2ccc(C)cc21 20109705 PUSPTFVNSPKPLD-GOTSBHOMSA-N 374.411 5.460 0 50 FKAA COc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 35561677 RDFMWLAFVYIHOT-GOSISDBHSA-N 358.869 5.498 0 50 FKAA O=C(Nc1ccc(F)cc1F)N1CCCCC[C@H]1c1ccccc1Cl 64984954 QCQAWRIRWWYVAM-SFHVURJKSA-N 364.823 5.767 0 50 FKAA CSCC[C@H](C(=O)Nc1cccc2c1ccn2CC(C)C)n1cccc1 263588263 QXWTUVNHTQQMET-HXUWFJFHSA-N 369.534 5.032 0 50 FKAA Cc1[nH]c(-c2ccc(-c3ncccc3C(F)(F)F)o2)nc1-c1ccccc1 1875391423 QITOVDKQJDELRX-UHFFFAOYSA-N 369.346 5.726 0 50 FKAA Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccccc1 839026 UKMPSVJJCUZAHS-UHFFFAOYSA-N 370.408 5.246 0 50 FKAA CC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 2857597 WTWUHGAJNMQIAC-UHFFFAOYSA-N 356.731 5.205 0 50 FKAA Cc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1F 13320152 FXIZWOFIGXVWTM-UHFFFAOYSA-N 362.448 5.478 0 50 FKAA COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 13801773 XCRPSPAVWHTJOS-VHXPQNKSSA-N 372.493 5.506 0 50 FKAA FC(F)(F)Cc1ccc(-c2nccn2CCCC[C@H]2CCCO2)cc1 1857684817 FOZZVNHHXQAYIP-KRWDZBQOSA-N 352.400 5.004 0 50 FKAA CC(C)c1ccc(COc2cc(Br)cnc2C=O)cc1Cl 2325899689 RFQMIUDVOBPNHQ-UHFFFAOYSA-N 368.658 5.012 0 50 FKAA COC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)cc3Cl)cc12 639345 YLWFOLXAWACAOI-UHFFFAOYSA-N 365.212 5.414 0 50 FKAA biogenic COc1ccc(N2C(=O)CCc3c(-c4ccccc4)cc(N(C)C)cc32)cc1 752304 YSWRVWNINOZREA-UHFFFAOYSA-N 372.468 5.039 0 50 FKAA CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 943418 CICBWLXOORIYBI-OQKWZONESA-N 371.436 5.043 0 50 FKAA CCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 995255 XSHPCYHTTNBLQV-UHFFFAOYSA-N 352.459 5.078 0 50 FKAA O=C(OCc1c(F)cccc1Cl)c1ccccc1C(=O)c1ccccc1 1116933 WZKVFMJAWLDTCI-UHFFFAOYSA-N 368.791 5.067 0 50 FKAA COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 1209869 RHJMTNYMYVKBDT-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3c(C)cccc3C)c2c1 2079522 KCDGXEANZZWFCT-UHFFFAOYSA-N 366.464 6.079 0 50 FKAA CCOC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2386336 OYGDJCJJPUKBCI-UHFFFAOYSA-N 362.425 5.021 0 50 FKAA COc1ccc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 2763349 LKHKPMOALZLDDR-UHFFFAOYSA-N 366.269 5.147 0 50 FKAA CCC(=O)Nc1ccc2nc(SCCOc3cccc(C)c3)sc2c1 8830951 GBQDFNIVTUGTDV-UHFFFAOYSA-N 372.515 5.124 0 50 FKAA CC1(C)CCC[C@@H]([C@](C)(O)CNC(=O)CC2CCC3(CCCC3)CC2)C1 2325817586 DEZIJZLLTCNUQY-DENIHFKCSA-N 363.586 5.211 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1cc(Cl)c(Cl)cc1Cl 640997 JPBGQKUMJKRJPE-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)c(Br)c1 656174 QZGFJJTUCWDENQ-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA O=c1[nH]c(SCc2cccc(Oc3ccccc3)c2)nc2ccccc12 952394 NUGFBRZFJONLRK-UHFFFAOYSA-N 360.438 5.008 0 50 FKAA Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1Cl 1149884 UWIBIKBYFVSLPD-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 1156787 MFPFXALQSHMMNF-UHFFFAOYSA-N 364.150 5.273 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2cccc(Cl)c2)o1 1185540 GFQCISRWKGULCS-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1ccccc1 2989445 UDJLUJZUDPOEGL-UHFFFAOYSA-N 371.358 5.213 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(C)ccc3n2)cc1 6419009 OYAGYSCBOSKYKG-UHFFFAOYSA-N 367.452 5.420 0 50 FKAA Cc1nn(C(C)C)c(C)c1-c1c(-c2ccccc2)ncn1Cc1cccnc1 65423229 NYYBYUUOGMUODD-UHFFFAOYSA-N 371.488 5.055 0 50 FKAA CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@H]1CCCc2cccnc21 170598908 XBASAYZSBQIWCF-AQNXPRMDSA-N 368.908 5.155 0 50 FKAA CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)[C@H]1C[C@H]3C=C[C@H]1C3)c2-c1ccccc1 252139999 GQINAOLOPRBWQT-OHNKGQGDSA-N 374.528 6.039 0 50 FKAA CCOc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)oc2ccccc23)n1 1875335899 KTHWTTQQVVRTMF-UHFFFAOYSA-N 366.804 5.285 0 50 FKAA CCOc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 851740 QDFIHGVUTUVJJJ-UHFFFAOYSA-N 368.436 5.553 0 50 FKAA Cc1ccccc1-c1cc(C(=O)Nc2ccc(F)cc2F)c2ccccc2n1 995078 CEDMZCKHYNMQJI-UHFFFAOYSA-N 374.390 5.741 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(C)c1 1109259 WSKWCDWZENBRJN-UHFFFAOYSA-N 370.452 5.981 0 50 FKAA Cc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4C)c3ccccc23)cc1 1191105 MWPYXDPQSHBPSZ-UHFFFAOYSA-N 365.440 5.236 0 50 FKAA O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccccc2F)o1 2874732 CDXOMGIEEQJQOP-UHFFFAOYSA-N 360.182 5.101 0 50 FKAA CC(C)(C)c1cc(C(C)(C)C)c2nc(-c3cc(Cl)ccc3O)oc2c1O 2945411 MYCUDPHEBOAOTR-UHFFFAOYSA-N 373.880 6.154 0 50 FKAA O=C(/C=C/c1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 2984531 VBTTXKORTQERJY-VQHVLOKHSA-N 366.313 5.056 0 50 FKAA O=C(Nc1ccc(C(F)(F)F)cc1)C1c2ccccc2Oc2ccccc21 6393057 SSWSRMIFAJTBDP-UHFFFAOYSA-N 369.342 5.582 0 50 FKAA COc1cccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1OC 6470729 UATVIUMKXWHPQQ-UHFFFAOYSA-N 368.483 5.551 0 50 FKAA CC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)c1 12385682 ZPOJAJDNXPYZCB-JOCHJYFZSA-N 371.480 5.137 0 50 FKAA CC(=O)[C@H](C(=O)c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(C)cc21 19853772 WJCDXMWCRHFOGU-XZOQPEGZSA-N 356.421 5.321 0 50 FKAA O=C(Nc1ccc(F)cc1F)N1CCCCC[C@@H]1c1ccccc1Cl 64984955 QCQAWRIRWWYVAM-GOSISDBHSA-N 364.823 5.767 0 50 FKAA Cc1ccc(-c2cc(C(=O)N(C)CCC(C)(C)C)c3ccccc3n2)o1 1875341336 PFGNBYFTCXXUNS-UHFFFAOYSA-N 350.462 5.311 0 50 FKAA Cc1ccc(COc2ccc3c(=O)c(Oc4cccc(C)c4)coc3c2)cc1 710186 ZIOBDIXYKAEYDZ-UHFFFAOYSA-N 372.420 5.781 0 50 FKAA biogenic CO[C@H](C(=O)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 1150781 QSDCHWBAJZHXGN-NRFANRHFSA-N 363.482 5.305 0 50 FKAA Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c(C)c1 12112412 YCDBVRAZYLXNPQ-ISKFKSNPSA-N 354.453 5.546 0 50 FKAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2Br)c1 36621198 KMRIIGSXWMAXEY-KRWDZBQOSA-N 359.267 5.127 0 50 FKAA CC(C)[C@@H]1CC[C@]2(C)CO[C@@H]([C@H]3CC(=O)[C@]4(C)CC[C@H]5[C@H](C)CC[C@]354)[C@H]12 71786099 LHWJUJBEAYNUQJ-LTDHTRFUSA-N 358.566 5.495 0 50 FKAA CCCC[Sn](CCCC)(CCCC)[Si](C)(C)C 169811469 MZUUBYSIDDKUKE-UHFFFAOYSA-N 363.250 6.252 0 50 FKAA Cc1cnc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc1C 328896614 CEOICZUNHLXKDI-SFHVURJKSA-N 362.477 5.213 0 50 FKAA O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(F)c3)[C@@H]12 651302 OZYJOQMLIVLHOG-KNQAVFIVSA-N 359.425 5.606 0 50 FKAA O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc(F)c1 830062 GKEPPNLFVQLOIA-UHFFFAOYSA-N 364.401 5.060 0 50 FKAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1 1044637 IGNYFLKFTUWMKD-UHFFFAOYSA-N 365.191 5.348 0 50 FKAA COc1cccc(COc2cc(C)cc3oc(=O)cc(-c4ccccc4)c23)c1 1184505 YGLBBWDGFGDGRX-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA biogenic O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1Cl 1226026 JNRSNMAGNZHXQP-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA Cc1c(Cl)cccc1NC(=O)c1ccc(CSc2ccccc2)cc1 2982964 OGTWCCAHICKHOB-UHFFFAOYSA-N 367.901 6.193 0 50 FKAA c1ccc(C2(c3ccccc3)O[C@@H](c3ccco3)Nc3ccccc32)cc1 5336343 DCZHJBLDUSQNDJ-QHCPKHFHSA-N 353.421 5.712 0 50 FKAA Cc1ccc(C)c(N2CCN(c3cc(C)c4ccc(Cl)cc4n3)CC2)c1 16667434 AWNTXDSKASQVMH-UHFFFAOYSA-N 365.908 5.140 0 50 FKAA Cc1ccc(CN(Cc2ccncc2)Cc2nc(C(C)C)cs2)s1 55198654 SPVVLEQMNSLKLD-UHFFFAOYSA-N 357.548 5.234 0 50 FKAA CN1CCC(n2cnc(-c3ccccc3)c2-c2cccc3cccnc23)CC1 65435285 ATWGCRVEFDMWBP-UHFFFAOYSA-N 368.484 5.032 0 50 FKAA Cc1ccc2c(NC(=O)N(Cc3cccnc3)C3CCCCC3)cccc2n1 96162768 WJBFSQQXDMMJQS-UHFFFAOYSA-N 374.488 5.305 0 50 FKAA C[C@@H](NC(C)(C)CNCc1cccc(CC2CCC2)c1)c1ccccc1 2325841121 DIRSYBKQOMSMNP-LJQANCHMSA-N 350.550 5.248 0 50 FKAA CCOC(=O)c1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 938398 HARHFQJTAHDUJL-UHFFFAOYSA-N 360.413 5.234 0 50 FKAA O=C(Cc1ccccc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 1204041 LDSHMHIHLXLBCN-UHFFFAOYSA-N 362.816 5.329 0 50 FKAA CCc1c(-c2nnc(-c3cc(Br)cs3)o2)csc1C 17073419 UBDNAHQCEHXLDZ-UHFFFAOYSA-N 355.282 5.160 0 50 FKAA ON(Cc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1Cl 49588647 UCOJEGLSMUGXIF-UHFFFAOYSA-N 351.060 5.692 0 50 FKAA CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 49952219 XIIAYQZJNBULGD-XWLABEFZSA-N 372.681 8.498 0 50 FKAA endogenous,in-man C[C@H](C(=O)Nc1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1 238791232 PLSHFUKAJPCSSV-HNNXBMFYSA-N 363.844 5.313 0 50 FKAA Oc1ccc(CNc2nc(Cl)nc3scc(-c4cccs4)c23)cc1 1875387896 DJCKQCUZBKUYGM-UHFFFAOYSA-N 373.890 5.391 0 50 FKAA CCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1770947 AORLCPFGPPGLOR-UHFFFAOYSA-N 368.738 5.531 0 50 FKAA biogenic CCCCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2 2090655 MXWVLTZPFAJSHH-UHFFFAOYSA-N 363.523 5.103 0 50 FKAA O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)ccc1Cl 2496865 QAJQXDRURHKHCX-UHFFFAOYSA-N 356.252 5.842 0 50 FKAA COc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)ccc1OCc1ccccc1 4988634 IHNCFNGQGGJKIM-VXKWHMMOSA-N 365.517 5.429 0 50 FKAA CC(=O)[C@@H](C(=O)c1ccccc1)C1c2ccccc2Sc2ccccc21 19898189 SDDIFZVZFPDTNI-OAQYLSRUSA-N 358.462 5.371 0 50 FKAA FC(F)(F)c1ccc(Oc2cccc(CN3CCCC3)c2Cl)nc1 67489732 GATMNDOHLQZMIV-UHFFFAOYSA-N 356.775 5.142 0 50 FKAA CCC[C@@H](NCCc1cn(C)nc1C)c1ccc(Oc2ccccc2)cc1 2325822260 NBBSKUWXGQWURU-HSZRJFAPSA-N 363.505 5.194 0 50 FKAA Cc1cc(C)cc(NC(=S)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)c1 2325853253 JQNTWVJCKLIQEL-OAHLLOKOSA-N 374.937 5.157 0 50 FKAA CCCc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1 999892 CWEWSZDVXLGZJQ-UHFFFAOYSA-N 357.413 5.095 0 50 FKAA CCCCOc1ccccc1NC(=O)CCCOc1ccc(CC)cc1 1777486 GSUXBYWJPRHKKS-UHFFFAOYSA-N 355.478 5.226 0 50 FKAA Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4cccs4)cc3)o2)cc1 2879617 XHQJBDFPICAKHJ-UHFFFAOYSA-N 361.426 5.026 0 50 FKAA Cc1ccccc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 4898973 QUWUWHVWNKSEJE-IBGZPJMESA-N 364.832 5.233 0 50 FKAA CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 5051451 NLHNFSCXSCLBCV-UHFFFAOYSA-N 367.832 5.783 0 50 FKAA c1ccc(-c2ncn(CCc3c[nH]c4ccccc34)c2-c2cccnc2)cc1 67643515 KYXVUJPBIJZKNU-UHFFFAOYSA-N 364.452 5.336 0 50 FKAA Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 96180547 MCKHHMMQEGAFLO-FQEVSTJZSA-N 362.477 5.364 0 50 FKAA Cc1nc([C@H]2CCCN2C(=O)Nc2cccc(COC(C)C)c2C)cs1 189018829 LRBHLWGHJWAMHK-LJQANCHMSA-N 373.522 5.054 0 50 FKAA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609845 YHTRVWPOAJKWBV-ZNQZYEKSSA-N 374.609 6.625 0 50 FKAA CCc1ccc2oc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1 989704 AKNOKTXUMLQUBL-UHFFFAOYSA-N 356.425 5.238 0 50 FKAA O=C1c2ccccc2N[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 1191275 JJJIITJTTXXLML-LJQANCHMSA-N 352.796 5.250 0 50 FKAA COc1ccc(-c2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1OC 1434677 BEKNPJBLTBAVEZ-INIZCTEOSA-N 358.441 5.330 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 1773697 WNIDVXDZCQGZHJ-UHFFFAOYSA-N 372.896 5.128 0 50 FKAA Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl 2521567 LCXMEXLGMKFLQO-UHFFFAOYSA-N 360.882 7.274 0 50 FKAA biogenic,in-vitro Cc1cccc(NC(=O)CCCCC(=O)Nc2cccc(C)c2C)c1C 2746563 VBCFOSGYJQNZEZ-UHFFFAOYSA-N 352.478 5.058 0 50 FKAA CC(C)COP(=O)(Nc1cccc(C(F)(F)F)c1)OCC(C)C 2810083 FEOQMEAGVJVRRZ-UHFFFAOYSA-N 353.321 5.571 0 50 FKAA O=C(N(Cc1ccc(F)cc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4174092 KIBYDQKIHWFMQS-UHFFFAOYSA-N 363.476 5.575 0 50 FKAA Cc1nc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cs1 4247944 UWWYDNGHXNCZCT-UHFFFAOYSA-N 350.487 5.668 0 50 FKAA CCc1sc(NC(=O)/C=C/c2ccccc2F)nc1-c1ccccc1 6708210 ITVZXXRDXWVCMZ-OUKQBFOZSA-N 352.434 5.164 0 50 FKAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)c1 10287563 DFLYSAQZJKYODP-UHFFFAOYSA-N 366.248 5.376 0 50 FKAA CCC(CC)(C(=O)O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 71767407 JESMJUGJPYXYHU-UHFFFAOYSA-N 367.272 5.120 0 50 FKAA Cc1nc([C@@H](C)N(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)c(C)s1 91548197 RNIPYODITAVBDC-SECBINFHSA-N 357.306 5.208 0 50 FKAA CCCCCn1cc(C(=O)c2cc(OC)cc3ccccc23)c2ccccc21 95215375 MGSSAESHPAJYSC-UHFFFAOYSA-N 371.480 6.224 0 50 FKAA in-vitro Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cc1F 856085 DTCMUBMRFMOJKI-UHFFFAOYSA-N 365.191 5.348 0 50 FKAA Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(C)c1 1158104 VMHUXWRADDZXON-UHFFFAOYSA-N 372.877 5.098 0 50 FKAA O=C(Oc1ccnc2cc(Cl)ccc12)N(c1ccccc1)c1ccccc1 1164606 NQINFDUMIRWLON-UHFFFAOYSA-N 374.827 6.225 0 50 FKAA COc1ccc(-c2csc(Nc3cccc(Cl)c3C)n2)cc1OC 1174806 CCBJTMDJSVRGAL-UHFFFAOYSA-N 360.866 5.533 0 50 FKAA O=C(Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1)c1ccccc1 1210515 AMNBZVFMCQWOFG-UHFFFAOYSA-N 366.420 5.344 0 50 FKAA CC(C)Oc1ccc([C@H](CCNCc2ccc3c(c2)OCO3)C(C)C)cc1 1827991 NVPKRIYJJSATHN-OAQYLSRUSA-N 369.505 5.122 0 50 FKAA biogenic Cc1nc(Sc2nc3ccccc3s2)c2c3c(sc2n1)CCCC3 2074824 SCSFDBQIFPYBIA-UHFFFAOYSA-N 369.540 5.639 0 50 FKAA O=C(O)c1ccccc1C(=O)O[C@@H]1CCCCCc2ccc(cc2)CCC1 4795371 KBSZIXZWJZXZRZ-LJQANCHMSA-N 366.457 5.050 0 50 FKAA CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1Cl 5050688 PCSYEOAUKWBYOX-UHFFFAOYSA-N 355.846 5.238 0 50 FKAA in-vitro CCCCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21 43015331 BWBLGFVKOJDYSU-UHFFFAOYSA-N 371.480 6.224 0 50 FKAA in-vitro CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccc2Cl)cc1 299762572 NTFIHRRRKHYYLX-FQEVSTJZSA-N 371.912 5.161 0 50 FKAA CCn1c(-c2ccc(C)cc2)csc1=Nc1cccc(C(F)(F)F)c1 334157798 VPWJWCCRKORTCG-UHFFFAOYSA-N 362.420 5.796 0 50 FKAA CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(C)cc1)CC3=O 2084329441 DSJSOPXUCZZDMI-SFHVURJKSA-N 362.425 5.069 0 50 FKAA CCCOc1ccc(-c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)c(F)c1F 2088617640 PFDKETPYRPFESB-IYARVYRRSA-N 372.499 7.495 0 50 FKAA CCc1cccc(N(C(=O)C[C@@H]2CCCC[C@H]2C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 2325817721 PTOFXDBRRWUWNF-NSMXDQILSA-N 353.550 5.987 0 50 FKAA CCC[C@@H](Nc1cnn(CC(C)C)c1)c1ccc(Oc2ccccc2)cc1 2325822282 NYULRURRKDOHCN-HSZRJFAPSA-N 363.505 6.285 0 50 FKAA Cc1ccc(NC(=O)Nc2nc3c(Cl)cccc3s2)cc1Cl 641832 VXYGNJUJVDEQPL-UHFFFAOYSA-N 352.246 5.556 0 50 FKAA C[C@H](c1ccccc1)[C@@H](Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 975613 GAELJTQGYRTLNW-SJLPKXTDSA-N 366.468 5.569 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c(C)c1 1112749 LCCJLBLNIDXNHV-UHFFFAOYSA-N 355.441 5.407 0 50 FKAA COc1ccc(Cl)cc1NC(=O)Nc1ccccc1-c1ccccc1 1119098 BVUAZSQOTOKQAW-UHFFFAOYSA-N 352.821 5.660 0 50 FKAA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2C(=O)Cc1ccccc1 1121968 YEYRERAZCDWFIX-DENIHFKCSA-N 355.481 5.495 0 50 FKAA C(=C/c1ccccc1)\CSc1nnc(-c2cccnc2)n1-c1ccccc1 1799236 UHDCZKQIEHSLQW-DHZHZOJOSA-N 370.481 5.135 0 50 FKAA COc1ccc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc1 4593151 CRJRZXPGXNKWGI-UHFFFAOYSA-N 369.420 5.267 0 50 FKAA COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC 5078337 WUQBRQDZASCWEH-JHMRYYBSSA-N 363.929 5.052 0 50 FKAA O=C(Nc1ccc2ccccc2c1)c1cn(CCCCCF)c2ccccc12 95705086 NQVUCORTOJUJIB-UHFFFAOYSA-N 374.459 6.187 0 50 FKAA in-vitro CC(C)C(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 679596 OWINYTAAHRMMRJ-UHFFFAOYSA-N 372.877 5.402 0 50 FKAA Cc1cc(NC(=O)c2ccc(F)cc2)ccc1-c1cc2ccccc2oc1=O 1207436 DSIAOSHOVXSHMQ-UHFFFAOYSA-N 373.383 5.160 0 50 FKAA Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 1208225 HRCVKNGPGJITCP-UHFFFAOYSA-N 374.465 5.289 0 50 FKAA Cc1ccc(-c2ccc(OC(=O)COc3ccccc3Cl)cc2)cc1 1771349 VJOJCJYILSICMJ-UHFFFAOYSA-N 352.817 5.300 0 50 FKAA Cc1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1 1893485 DSOGXYAWBIDJGE-UHFFFAOYSA-N 356.421 5.656 0 50 FKAA c1ccc(-c2ccc([C@@H](c3ccccc3)n3cnc4ccccc43)cc2)cc1 1951811 MTDWKNDHYMZWRP-AREMUKBSSA-N 360.460 6.341 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(OCC(C)C)cc3)nc12 2526049 ZDRBCQVLZXVNNI-UHFFFAOYSA-N 369.848 5.597 0 50 FKAA O=C(c1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl 3134928 HHAVZQBNRPURTK-UHFFFAOYSA-N 353.649 5.004 0 50 FKAA Cc1[nH]c2ccccc2c1C(c1cccnc1)c1c(C)[nH]c2ccccc12 3893303 DOFCKEKXFOFHTO-UHFFFAOYSA-N 351.453 5.841 0 50 FKAA CC(C)=CCCCC[C@H](C)[C@]1(S(=O)(=O)c2ccccc2)C=CC(=O)CC1 45071637 BVAFROOEAGQLAN-UGKGYDQZSA-N 374.546 5.281 0 50 FKAA CC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3CCc4c(C)ccc(Cl)c4[C@@H]3CC[C@]21C 71767221 CLRZSUROXBJNDN-XPFWREHLSA-N 360.925 5.826 0 50 FKAA Cc1nn2c(c1-c1ccccc1)NC(c1ccccc1)=C[C@@H]2c1ccccc1 100161998 WZPKTTMLVDLESB-HSZRJFAPSA-N 363.464 5.915 0 50 FKAA Cc1ccc(C2=NN3[C@H](c4cccc(Cl)c4)Oc4ccccc4[C@H]3C2)cc1 245377595 NBWACJFKJHKFSM-GGAORHGYSA-N 374.871 5.891 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(C)c1 1113458 GRKHULXNYXULGQ-UHFFFAOYSA-N 357.413 5.067 0 50 FKAA Cc1cccc(C(C)C)c1NC(=O)C1c2ccccc2Oc2ccccc21 1139114 CUTIRTJLYNAXPX-UHFFFAOYSA-N 357.453 5.995 0 50 FKAA CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 1143810 SPEZBELASPIKEI-UHFFFAOYSA-N 374.307 5.020 0 50 FKAA CC(=O)N(CCCN(C)C)[C@@H](C)c1cc(C(C)(C)C)cc2c1CCC2(C)C 2369157 XCOZBPNEDRFXGI-KRWDZBQOSA-N 372.597 5.069 0 50 FKAA CCCCOc1cccc(NC(=O)CSc2cccc3cccnc23)c1 2911368 PROYKUYJKBJQFA-UHFFFAOYSA-N 366.486 5.145 0 50 FKAA OC(c1ccccc1)(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1 3075573 HNTIJECZKUEWHW-VWLOTQADSA-N 365.476 5.776 0 50 FKAA c1ccc2c3c(ccc2c1)OCCNCCOc1ccc2ccccc2c1-3 4566136 SHEFQLIYUKYQGW-UHFFFAOYSA-N 355.437 5.021 0 50 FKAA O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1ccccc1 4770055 HLCKDZFHAISPIZ-NTCAYCPXSA-N 358.828 5.210 0 50 FKAA CCOc1ccccc1NC(=O)c1ccc(COc2cccc(C)c2)cc1 4832066 FWDBMQPAYCWWJG-UHFFFAOYSA-N 361.441 5.225 0 50 FKAA CCCCOc1ccc(CCCCc2ccc(OCCCC)cc2)cc1 4991684 FOQSAOYUSXHAII-UHFFFAOYSA-N 354.534 6.610 0 50 FKAA Cc1nn(-c2ccccc2F)c2nc(-c3ccccc3)cc(C(F)F)c12 20615145 VWQLQZXTGXSVMO-UHFFFAOYSA-N 353.347 5.473 0 50 FKAA Clc1ccc2[nH]c(-c3nc([C@@H]4CCOC4)no3)c(-c3ccccc3)c2c1 96132039 MQXVHYLJYUQLOM-CYBMUJFWSA-N 365.820 5.042 0 50 FKAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@]12C 257348159 BUIQHUBDLNDWCY-FLIUJYPFSA-N 354.481 5.596 0 50 FKAA C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1c1ccccc1 2325866453 LHQDCEQZYKNGEU-NUCDUYEVSA-N 368.908 5.077 0 50 FKAA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccs1 717975 PCEJHTQHSXLWMO-HSZRJFAPSA-N 361.510 5.883 0 50 FKAA CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(C)c1 1117406 QQQBTIXYPCHDCK-UHFFFAOYSA-N 351.277 5.400 0 50 FKAA Clc1sc(-c2sc(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2173303 NZHAXZYBKDCBBU-UHFFFAOYSA-N 372.940 7.397 0 50 FKAA COc1cccc2cc(-c3nc(-c4ccc(C)c(C)c4)cs3)c(=O)oc12 2964138 SYRWEORRNFBAGL-UHFFFAOYSA-N 363.438 5.209 0 50 FKAA O=c1oc2ccc(Cl)cc2cc1-c1ncc(C(F)(F)F)cc1Cl 263640095 XMSHHLMVPCADLS-UHFFFAOYSA-N 360.118 5.181 0 50 FKAA CC(C)[C@H]1C=CCN1C(=O)c1ccc(-c2cnc3cc(F)ccc3c2)cc1 2356169051 TYOKLHPTNHBQSX-JOCHJYFZSA-N 360.432 5.078 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)C(c1ccccc1)c1ccccc1 755624 HUDIWXZXMDYYJL-UHFFFAOYSA-N 356.252 5.764 0 50 FKAA Cc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3Cl)n2)s1 1123119 WRNSTAAQUAXTEA-UHFFFAOYSA-N 356.303 5.934 0 50 FKAA Cc1cc(=O)oc2cc(OCc3cccc(C(F)(F)F)c3)c(Cl)cc12 1134311 VMMVZSBHHNCHNP-UHFFFAOYSA-N 368.738 5.353 0 50 FKAA Cc1c(OCc2ccc(F)cc2Cl)ccc2c3c(c(=O)oc12)CCCC3 1159029 BYNBQWZRUXMHJE-UHFFFAOYSA-N 372.823 5.352 0 50 FKAA CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC 1624286 GJDRKHHGPHLVNI-UHFFFAOYSA-N 356.443 5.753 0 50 FKAA in-vitro Cc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)c(C)c2oc1=O 2994964 JPEJXNPKOIPHJP-UHFFFAOYSA-N 363.240 5.604 0 50 FKAA c1ccc(C2(c3ccccc3)O[C@H](c3cccnc3)Nc3ccccc32)cc1 4184007 JYLLEPFNOLJUCW-XMMPIXPASA-N 364.448 5.514 0 50 FKAA CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@H]2c3ccc(OC)cc3CC[C@H]12 4825753 WVDKBHOKKLQPOC-FQUZAXHOSA-N 362.513 5.880 0 50 FKAA Clc1ccc(Cl)c(OCCCn2c3ccccc3c3ccccc32)c1 5673416 WZYBDPFFETXTSQ-UHFFFAOYSA-N 370.279 6.570 0 50 FKAA COc1ccc2nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2c1 9015978 OJEKQVGVBCXFRC-UHFFFAOYSA-N 368.245 5.256 0 50 FKAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c1 20449817 YJYLTOUCSFXIRF-JOCHJYFZSA-N 359.498 5.081 0 50 FKAA Clc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccsc3)C2)cc1 23129658 MXIJYJZMJVHZGQ-MRXNPFEDSA-N 357.910 5.171 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 25572902 UBNLCKMPRDWXTI-RBBKRZOGSA-N 350.437 5.276 0 50 FKAA CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1 245219493 PGBOJQDLNPQVCK-VVPTUSLJSA-N 366.511 7.764 0 50 FKAA CCCCC[C@H](CC)c1nc(-c2cc3ccccc3cn2)nn1C12CC(C1)C2 1875348788 COEBVBRDUDYUHK-JZGPVCMCSA-N 374.532 6.076 0 50 FKAA Cc1nn2c(c1-c1ccccc1)N=C(c1ccccc1)C[C@H]2c1ccccc1 1069403 FZQJFTWLWOJSGF-QHCPKHFHSA-N 363.464 5.972 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2)cc1 1140863 QXHBNNJVCAADNN-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA CCCCc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 2979106 JDKFOPVHDLWOAU-UHFFFAOYSA-N 352.261 5.597 0 50 FKAA Cc1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 4187014 RCGZZIYNKKOUCY-XMMPIXPASA-N 367.448 6.021 0 50 FKAA Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12 5611636 CIFWZTYGXNJILN-UHFFFAOYSA-N 354.711 5.146 0 50 FKAA Cc1ccc([C@H](C)CCN2CCC(CCC(=O)Nc3ccccc3)CC2)o1 12299511 ACOCYICYNNYDIT-GOSISDBHSA-N 368.521 5.213 0 50 FKAA C[C@H]1Cc2ccccc2N1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320507 XYDKYJSUJMLNTI-JTQLQIEISA-N 354.759 5.342 0 50 FKAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 670518 PIHCMBYDROVJNW-UHFFFAOYSA-N 367.832 5.458 0 50 FKAA Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 848315 WTNNVUBJPIUYSN-DHZHZOJOSA-N 368.889 5.348 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1 1110310 AUMMPCDMYRWKES-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1Cl 1137611 UNWSUAFKXUJABP-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA O=c1cc(C(F)(F)F)c2ccc(OCc3ccccc3Cl)cc2o1 1148261 QDVSNXZBIRVHPO-UHFFFAOYSA-N 354.711 5.044 0 50 FKAA O=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 1171100 PAQWSHPPBHCAJI-UHFFFAOYSA-N 350.028 5.692 0 50 FKAA CC(C)Oc1ccc([C@@H](CC(=O)N2CCCCC2)Cc2ccccc2)cc1 1322764 ZPDOTIBMUNDXKH-JOCHJYFZSA-N 365.517 5.203 0 50 FKAA biogenic COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cc1Cl 2858253 JPUQUQDPPGNXBW-UHFFFAOYSA-N 369.646 5.064 0 50 FKAA O=C(Nc1ccccc1OC(F)F)c1sc2ccccc2c1Cl 2884091 LHSWTUJIWGQIEQ-UHFFFAOYSA-N 353.777 5.408 0 50 FKAA C/C=C/c1ccc(OCCOCCOc2ccc(C(C)C)cc2)c(OC)c1 2985316 XMTBXFINYBQOIX-AATRIKPKSA-N 370.489 5.326 0 50 FKAA Cc1oc(-c2cccc(F)c2F)nc1CN(Cc1ccccc1)CC1CC1 12471815 YLFGSIHICZJGLZ-UHFFFAOYSA-N 368.427 5.340 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc(Cl)c2)no1 121581542 NTOFZSDONVVLNO-UHFFFAOYSA-N 366.726 5.266 0 50 FKAA Fc1ccc(C2=CC[C@@H](N[C@@H](c3ccc(F)cc3)c3ncc[nH]3)CC2)cc1 446883322 FZIVRKGYONTDDR-RTWAWAEBSA-N 365.427 5.003 0 50 FKAA COc1ccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)cc1 825789 GJMKSXYPLJJRQQ-RVMZIBIISA-N 369.464 5.321 0 50 FKAA Cc1ccccc1NC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1 1013594 PUAVPIKASPQSMP-UHFFFAOYSA-N 359.425 5.389 0 50 FKAA CC(C)c1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)cc1 1080477 BXXRFWSWKDXKJP-UHFFFAOYSA-N 370.909 5.325 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)cs1 1106693 KBVSQSKLMDSKEE-UHFFFAOYSA-N 364.257 5.761 0 50 FKAA c1ccc(-c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 1759462 IEZVMRGFNUNABR-UHFFFAOYSA-N 371.483 7.683 0 50 FKAA CCOc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 1886722 VGGMHBQJNIPZRY-UHFFFAOYSA-N 368.260 5.190 0 50 FKAA Cc1ccc([C@]2(CCNCc3ccccc3F)CCO[C@@H](C(C)C)C2)cc1 2217986 LXQCJRFOFVFPAV-DNQXCXABSA-N 369.524 5.387 0 50 FKAA Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCc1ccccc1 2816397 TZMBEIZTFFHEHF-IBGZPJMESA-N 369.306 5.140 0 50 FKAA Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 4282008 UNBFLPWZMOGXHA-XLIONFOSSA-N 366.873 5.644 0 50 FKAA CN(C)C(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 5051491 ZHPVEZYUALFKGP-UHFFFAOYSA-N 368.440 5.057 0 50 FKAA Cc1ccc([C@@H](O)c2nc3ccccc3n2CSc2ccccc2)cc1 5285939 YFLHDJYWLRIATC-OAQYLSRUSA-N 360.482 5.176 0 50 FKAA COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCC[C@@H]23)cc1Br 16649569 JLCYZTCXNIKYLE-FASAQXTFSA-N 374.278 5.011 0 50 FKAA CC(C)=CCC/C(C)=C/C[C@]1(S(=O)(=O)c2ccccc2)C=CC(=O)CC1 43762297 UPXQRIPYCRVJAX-PSXBWXLBSA-N 372.530 5.201 0 50 FKAA Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 1142450 QNIMBZHQCWTDOB-UHFFFAOYSA-N 350.274 5.081 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1ccc2c3c(cccc13)CC2 1158604 WXDUWQGMOXNQRM-UHFFFAOYSA-N 353.874 5.323 0 50 FKAA Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccco4)c3)oc2cc1C 1204081 IBEFOMAQYGPOKD-UHFFFAOYSA-N 366.804 5.610 0 50 FKAA Cc1ccc(NC(=O)Nc2nnc(-c3ccc(C)c(C)c3)s2)cc1C 1248645 TWQVUQMZBKGJNH-UHFFFAOYSA-N 352.463 5.083 0 50 FKAA Fc1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)cc1 1599719 VEFYJLJMXLVIOZ-UHFFFAOYSA-N 360.378 7.105 0 50 FKAA Cc1ccc(OP(=O)(Nc2ccccc2)Oc2ccc(C)cc2)cc1 2963474 LTFRANVSOHVLHD-UHFFFAOYSA-N 353.358 5.981 0 50 FKAA Cc1ccc(OC[C@H](C)NCCC(c2ccccc2)c2ccccc2)cc1 4072759 RCFBVLOOSWSAMK-NRFANRHFSA-N 359.513 5.574 0 50 FKAA COc1ccc(O)c(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 4560207 ZKUABMUFVQXGAI-UHFFFAOYSA-N 368.436 5.544 0 50 FKAA Cc1cccc2c1N(CC1CC1)CC[C@H](c1ccc3c(c1)OCO3)S2 12038477 ASWDZMZJIGMOES-LJQANCHMSA-N 353.487 5.177 0 50 FKAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCC[C@@H]1c1ccc(F)cc1 12577125 LIQAWWYFIRAAGO-HXUWFJFHSA-N 372.390 5.404 0 50 FKAA COc1ccc2ccccc2c1CN[C@H](C)c1cnn(-c2ccccc2)c1C 12715792 UQWLOYOOFLBKJQ-QGZVFWFLSA-N 371.484 5.193 0 50 FKAA C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1[C@@H](C)c1ccncn1 65393754 WDKUCWSLFGUTJH-MAUBAPBLSA-N 356.429 5.103 0 50 FKAA CC[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 916995268 IHJCNQWSNMEVJT-SJORKVTESA-N 357.803 5.133 0 50 FKAA C[C@H](c1ccccc1)n1c(COc2ccc(Cl)cc2)nc2ccccc21 2201327 RGQNRRJJTZBHBE-MRXNPFEDSA-N 362.860 5.878 0 50 FKAA CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2832456 CSHJDXDOBCFJJT-QWHCGFSZSA-N 366.288 5.913 0 50 FKAA CC[C@@H](C)c1ccc([C@@H](C)NC(=S)Nc2ccc(OC)cc2OC)cc1 2851324 FDXFEGHCNCVLRI-HUUCEWRRSA-N 372.534 5.265 0 50 FKAA CCOc1ccc2c(=O)c(-c3ccc(-c4ccccc4)cc3)c(C)oc2c1 2995600 XAGSTTLQXNCMKM-UHFFFAOYSA-N 356.421 5.834 0 50 FKAA O=C(C[C@H](Nc1ccc2ccccc2c1)c1cccnc1)c1ccccc1 5395031 ZWLQDWJCEJLUGS-QHCPKHFHSA-N 352.437 5.661 0 50 FKAA Cc1nc2cc(NC(=O)N3CCC[C@H]3c3ccccc3C)ccc2s1 95503433 SWBSDKILPASZAG-SFHVURJKSA-N 351.475 5.282 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccs1)O2 100702544 BFPZVGYIIPFQLJ-PXNSSMCTSA-N 366.873 5.644 0 50 FKAA Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 244741826 NXNYJRGLJXXUIN-UYVKZUBASA-N 352.305 5.098 0 50 FKAA O=C(C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCCCC1=O)c1ccccc1 624339 DAMIZTLQFWGOES-SFTDATJTSA-N 368.904 6.236 0 50 FKAA Cc1ccc(C2=N/C(=C/c3cccc(Oc4ccccc4)c3)C(=O)O2)cc1 820612 KRUCIHRYYAZCIC-RCCKNPSSSA-N 355.393 5.132 0 50 FKAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2)cc1 1053998 WBFSTQMSBIKLKD-ONNFQVAWSA-N 361.272 5.246 0 50 FKAA CC(=O)c1cccc(OC(=O)c2ccccc2SCc2ccccc2)c1 1141313 CNPIJMTZYXEIQQ-UHFFFAOYSA-N 362.450 5.401 0 50 FKAA O=C(CCSc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)cc1 2521071 MYZOEAHOCKEPJI-UHFFFAOYSA-N 366.738 5.401 0 50 FKAA Cc1ccc(Cl)c(OC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2864996 YPGANBQFFXGLKI-UHFFFAOYSA-N 373.663 5.720 0 50 FKAA CCOc1ccc(OCCCCOc2cccc(Br)c2)cc1 2984176 VBPBHWNNXIFFAW-UHFFFAOYSA-N 365.267 5.086 0 50 FKAA c1ccc(CN2CCC(NC(c3ccccc3)c3ccccc3)CC2)cc1 4989510 WKTXYHVFQNNWLD-UHFFFAOYSA-N 356.513 5.030 0 50 FKAA Cc1ccc(NC(=O)c2cc(/C=C/c3ccccc3)[nH]c(=S)n2)cc1C 5684370 SBNKZGZZWWADOP-PKNBQFBNSA-N 361.470 5.179 0 50 FKAA CCOc1ccc(-c2[nH]c(=S)n(-c3ccccc3)c2-c2ccccc2)cc1 6710773 WSGDOKAPSFWIQQ-UHFFFAOYSA-N 372.493 6.268 0 50 FKAA CC(=O)OC1=C(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@@H]2CC1 257357010 LNNIMWRQUDXYPM-BQJFQCIFSA-N 374.609 7.138 0 50 FKAA O=C(O)c1ccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 754754 YXUNGLGGMUMCOY-UHFFFAOYSA-N 364.348 5.271 0 50 FKAA Clc1ccc(-c2ccc(C3=CC[C@H](C4CCCCC4)CC3)cc2)cc1 2518885 BGPXUOWGKWIWAP-IBGZPJMESA-N 350.933 7.771 0 50 FKAA CCc1cccc2ccc(S(=O)(=O)Nc3ccccc3C)c(CC)c12 2998024 AYGLIRJRNQBGPV-UHFFFAOYSA-N 353.487 5.074 0 50 FKAA CC[C@@H](NC(=O)c1csc2c1CCCC2)C12CC3CC(CC(C3)C1)C2 4651012 RLNMYGLAWCFRHT-AIRYCRCHSA-N 357.563 5.352 0 50 FKAA C[C@@H](CC(C)(C)C)[C@@H](CC[C@@H](C)CC(C)(C)C)COc1ccccc1N 5211644 HGQBRBXGVRFTTN-AABGKKOBSA-N 361.614 7.189 0 50 FKAA C[C@H](CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1)c1ccccc1 15008484 GFGRSSQONNCQAL-YLJYHZDGSA-N 363.480 5.199 0 50 FKAA CC(C)c1ccc(-c2ncc(CN3CCC[C@H](CCC(=O)O)C3)s2)cc1 263135906 NPBDBOSROXXRBN-MRXNPFEDSA-N 372.534 5.010 0 50 FKAA CCC[C@@H](CC1CCCC1)C(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 2325817637 IYBHCNIKXPIWNF-ZCYQVOJMSA-N 367.577 6.068 0 50 FKAA O=C(CC(c1ccccc1)c1ccccc1)Nc1c(Cl)cccc1Cl 657370 KAHRVFCDZPGNFI-UHFFFAOYSA-N 370.279 6.154 0 50 FKAA O=C(Oc1ccc(Oc2ccccc2)cc1)c1ccc(Br)o1 715351 KZUQAXHBNXEQHE-UHFFFAOYSA-N 359.175 5.054 0 50 FKAA Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1195242 BEZRIMQIEPODOD-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA Cc1cc(C(C)(C)C)c(O)c(-c2c(C)c(C)cc(C(C)(C)C)c2O)c1C 2386673 NMVVBVMYPLMIOU-UHFFFAOYSA-N 354.534 6.593 0 50 FKAA O=C(c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(F)(F)F 2689784 VGZANVKLAMWHHK-UHFFFAOYSA-N 365.354 6.043 0 50 FKAA Cc1ccc(-c2noc(CCCOc3ccc(Cl)cc3Cl)n2)cc1 2862471 ZCSIUNWZMOMFJG-UHFFFAOYSA-N 363.244 5.363 0 50 FKAA CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 2997735 HDFBJNXJRQELCR-BJMVGYQFSA-N 367.798 6.134 0 50 FKAA Cc1nc(NCc2ccsc2)sc1-c1ccn(Cc2ccccc2)n1 12037815 VLRQWYDLBUONES-UHFFFAOYSA-N 366.515 5.037 0 50 FKAA Cc1cccc2cc(CNCc3ccc(F)cc3)c(-c3cccs3)nc12 14995852 HEVLFPIVIPZPEZ-UHFFFAOYSA-N 362.473 5.701 0 50 FKAA Cc1cc(C)c2[nH]c(C(=O)N3CCC4(C=Cc5ccccc54)CC3)c(C)c2c1 91894307 RVRKHAYTRLIUDT-UHFFFAOYSA-N 370.496 5.294 0 50 FKAA C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 257347213 ACKIMFUPMAASSZ-XSYQVIBFSA-N 362.598 5.415 0 50 FKAA CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(C)[C@H](C)O)[C@H]3CC[C@]2(C)C1 257347696 QUWRCMPXPZEVLG-AMJQQQQASA-N 362.598 5.821 0 50 FKAA Cc1csc(Cl)c1NC(=O)NCc1ccccc1CC(F)(F)F 952994796 RLLDIEFBXAEKTD-UHFFFAOYSA-N 362.804 5.136 0 50 FKAA FC(F)Oc1ccc(C=Cc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 1857525238 JUGFIGJRDZERSN-UHFFFAOYSA-N 372.415 5.309 0 50 FKAA Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)c(C)c1 641357 AXNPXQUXBIDALB-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA CCC(NC(=O)Nc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F 755159 JJELHEPAJMZKNB-UHFFFAOYSA-N 364.289 5.235 0 50 FKAA biogenic CCOc1ccc(-c2csc3nc(-c4ccc(F)cc4)oc(=O)c23)cc1 798285 JAIFVEAMNGTTSK-UHFFFAOYSA-N 367.401 5.121 0 50 FKAA O=C1C[C@@H](c2ccc(Br)s2)c2ccc3ccccc3c2N1 861005 FEGBKZGEVCTBNC-CYBMUJFWSA-N 358.260 5.138 0 50 FKAA COc1ccc([C@]2(CCN[C@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 892481 ILBAKKLPGWDQKA-NTKDMRAZSA-N 367.533 5.263 0 50 FKAA biogenic CCOc1ccccc1NC(=O)c1cccc2c(Br)cccc12 1064900 RTYADEKFQQHMFX-UHFFFAOYSA-N 370.246 5.253 0 50 FKAA CCO[P@@](=O)(c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1 1177375 ZLEKMJBLJQAMHS-OFVILXPXSA-N 351.386 5.437 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(Cl)cc1 1207871 RKJCYKRKYCPATJ-UHFFFAOYSA-N 364.788 5.106 0 50 FKAA CC[C@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 2850429 FQSMZQJUDKQORA-IBGZPJMESA-N 372.493 6.096 0 50 FKAA Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccccc4)cc3)nc2c1 2973122 VECTZHYSKJFVJA-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1 4309593 XTAFYBZMBMMAKI-LJQANCHMSA-N 352.865 5.462 0 50 FKAA CCc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 5041990 UZBUSDUPKGQKNR-WUKNDPDISA-N 352.437 5.119 0 50 FKAA Clc1ccc(-c2n[nH]c(SCc3ccc(Cl)cc3Cl)n2)cc1 6998752 VWELEBLIHHFQJA-UHFFFAOYSA-N 370.692 5.724 0 50 FKAA Cc1ccc(-c2nc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)o2)o1 12073227 QNBIEJAVDLTKHG-UHFFFAOYSA-N 360.457 5.112 0 50 FKAA CC[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 13328984 QWQQNHTULDFLBY-CQSZACIVSA-N 356.775 5.632 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=C(C)C[C@H]4[C@H]3CC[C@H]2C1 19926264 PPEIBJONECDUEC-KZCACSBKSA-N 370.533 5.396 0 50 FKAA Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 20616124 WRPRQQJLBVGBPN-UHFFFAOYSA-N 369.802 5.987 0 50 FKAA C[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 85210365 GDEHAOJGPHEOSO-OAHLLOKOSA-N 371.402 5.669 0 50 FKAA in-vitro C[Si](C1=CCCCCCC1)(c1ccccc1)c1cccc2ccccc12 169828516 MMBGGWJPWHLOCW-UHFFFAOYSA-N 356.585 5.852 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@@H]1c1ccc(Cl)cc1 653040 SDJUYLORCDWAOA-OLZOCXBDSA-N 357.734 5.240 0 50 FKAA CCCc1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccn1 870710 VJLPOVIHSNLTQX-UHFFFAOYSA-N 359.292 5.587 0 50 FKAA COc1ccc(CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 995068 ZFZHCIFUVQQKBT-UHFFFAOYSA-N 374.465 5.153 0 50 FKAA COc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 1099427 XQDQTZLVHCFCEU-UHFFFAOYSA-N 363.482 5.548 0 50 FKAA Cc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)ccc3C)sc2c1 1217623 ZAAITTKBBZNFAB-UHFFFAOYSA-N 350.270 6.077 0 50 FKAA CC1(C)CC(=O)c2c(nc3ccccc3c2NCc2ccc(Cl)cc2)C1 3077529 ODAMADWMTXPCMS-UHFFFAOYSA-N 364.876 5.655 0 50 FKAA C1=CC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c2ccccc21 4983957 SOGHUBCYQWVMQT-UHFFFAOYSA-N 367.492 6.040 0 50 FKAA CCc1ccccc1NC(=O)c1ccc(CSCc2ccccc2)cc1 5102489 PSAUVMXBZGDTCZ-UHFFFAOYSA-N 361.510 5.935 0 50 FKAA Cc1ccccc1[C@H](C(C)C)N(C)C(=O)N[C@H](C)c1ccc(F)cc1F 490376478 WDVMTAUSYGQGDV-QRWLVFNGSA-N 360.448 5.373 0 50 FKAA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3Cl)cc12 799433 ORMPZEQOZPUPOD-UHFFFAOYSA-N 367.861 5.301 0 50 FKAA CCOc1cc2oc(C)c(-c3ccccc3Cl)c(=S)c2cc1CC 1903186 DFDZTUBQXXJPAF-UHFFFAOYSA-N 358.890 6.752 0 50 FKAA biogenic CCCCCC[C@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 6783016 IEKIFXSJHKVQDS-KKSFZXQISA-N 372.534 5.944 0 50 FKAA CC[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 13513955 KIXGFZRPUASEFM-XPGKHFPBSA-N 371.524 5.462 0 50 FKAA O=C(Nc1ccc(F)c(Cl)c1)N1CCCCC[C@@H]1c1cccs1 15867025 KXXCGWWPNDHHME-OAHLLOKOSA-N 352.862 5.690 0 50 FKAA COc1cc(C)c(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F 186710518 NYLPBKFSVRATHC-CYBMUJFWSA-N 356.397 5.114 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C=CCC[C@]4(C)[C@@H]3CC[C@]12C 248274554 RLHIRZFWJBOHHD-HMBQRPAUSA-N 368.649 8.194 0 50 FKAA COc1ccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)cc1 677342 BRYJIHPYVPMULR-UHFFFAOYSA-N 354.409 5.163 0 50 FKAA CC[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 1115841 MAPFEZPNHQSOPO-LJQANCHMSA-N 355.441 5.362 0 50 FKAA COc1ccc(-c2nc3ccccc3n2Cc2cccc(C)c2)cc1OC 1127890 LCSKRYAGRWAKNP-UHFFFAOYSA-N 358.441 5.077 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 77459296 VFGPQOQLVGDQNI-IBGZPJMESA-N 364.420 5.157 0 50 FKAA Brc1ccc2c3ccccc3n(-c3ccc4ccccc4c3)c2c1 91364006 PYHCFFLUGHKAPZ-UHFFFAOYSA-N 372.265 6.699 0 50 FKAA in-vitro CCC(CC)(C1=N[C@@H](c2ccccc2)CO1)C1=N[C@@H](c2ccccc2)CO1 142166932 BNXRFQRNRLGVCV-WOJBJXKFSA-N 362.473 5.133 0 50 FKAA CCCC[C@H](CC)COC[n+]1cn(Cc2ccccc2)c2ccccc21 252493605 NDTBKQCFTMMPQB-FQEVSTJZSA-N 351.514 5.168 0 50 FKAA FC(F)Oc1ccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1 1875313150 IBAAYJKBJDVETR-UHFFFAOYSA-N 354.278 5.160 0 50 FKAA CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1cc(O)c1ccccc12 1107099 SOCBBLVJDXLXSN-UHFFFAOYSA-N 359.425 5.034 0 50 FKAA COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 1113036 MNFWWSQXYLXKNZ-UHFFFAOYSA-N 358.850 5.033 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2c1 1179351 FZFPGCNCVATUNA-UHFFFAOYSA-N 353.421 5.671 0 50 FKAA O=C(Nc1ccc(NC(=O)c2cccc3ccccc23)cc1)c1ccccc1 1186318 BFYNSPJMYJPPCM-UHFFFAOYSA-N 366.420 5.344 0 50 FKAA CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 1601801 XZCJVWCMJYNSQO-UHFFFAOYSA-N 354.453 6.368 0 50 FKAA in-vitro CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCCC2 5092013 KDFGYUFFWXLHOI-UHFFFAOYSA-N 374.531 5.003 0 50 FKAA COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 13483248 FXVGRPNJSDXZBY-UHFFFAOYSA-N 350.443 5.296 0 50 FKAA Cc1cc(-c2ccc(Cl)cc2)nc2oc(C(=O)c3ccccc3)c(N)c12 43573937 MAVBZBKYLNNSDZ-UHFFFAOYSA-N 362.816 5.270 0 50 FKAA CC(C)Cc1cc(C(F)(F)F)c2c(N)c(-c3ccncc3)sc2n1 67613221 KIYZXQURIFHYIH-UHFFFAOYSA-N 351.397 5.158 0 50 FKAA Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H](C)CCC2=O)cc1 101943556 SMCCYOSSZVQHCK-DQLDELGASA-N 368.904 6.010 0 50 FKAA Cc1ccc([C@H](Nc2nc(O)c3ccccc3n2)c2ccccc2)c(C)c1 1875257386 VHSYCRXHXNORLE-OAQYLSRUSA-N 355.441 5.154 0 50 FKAA COc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1Cl 1142475 XIWDRKZYWSFIQR-UHFFFAOYSA-N 371.839 5.679 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 1910495 PGGMCLKZUXJWAQ-VQHVLOKHSA-N 373.880 5.406 0 50 FKAA Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1 2859442 SPDBELXSRMSJPT-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA CCCCc1cc(=O)oc2cc(OCC(=O)c3ccccc3)c(Cl)cc12 2898751 HNIMNSPUHKLAJD-UHFFFAOYSA-N 370.832 5.051 0 50 FKAA O=C(N1CC[C@@H](Nc2ccccc2)C1)N(c1ccccc1)c1ccccc1 3622987 XMHDNXPEJHLAHA-HXUWFJFHSA-N 357.457 5.131 0 50 FKAA COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 4828659 BBTHGFUJZQYWRK-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C 35813765 PEXYKZYTXIEEOB-UHFFFAOYSA-N 351.412 5.849 0 50 FKAA in-vitro CC(C)c1nc([C@@H](C)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 225410217 YFGCXKQUQBXTBB-DYVFJYSZSA-N 354.416 5.865 0 50 FKAA C[C@]12CC[C@@H](OCc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 257350495 XVAQUNQDQASSEH-PZLSHCGPSA-N 366.589 7.005 0 50 FKAA Cc1cc(Br)cc(C)c1NC(=O)Cc1cccc2ccccc12 641180 ASQFKZQHAKNKSG-UHFFFAOYSA-N 368.274 5.400 0 50 FKAA O=C(Nc1ccc(-c2ccc(NC(=O)c3ccco3)cc2)cc1)c1ccco1 652081 BAZUXDNJMMZAKQ-UHFFFAOYSA-N 372.380 5.044 0 50 FKAA Cc1cc(=O)oc2c(OCc3ccccc3)c(OCc3ccccc3)ccc12 704532 BHYICXJVJZCYTG-UHFFFAOYSA-N 372.420 5.259 0 50 FKAA C[C@H](NC(=O)c1ccc(COc2ccccc2Cl)o1)c1ccccc1 1002122 YHLXGHSYNDUKQK-AWEZNQCLSA-N 355.821 5.003 0 50 FKAA O=C(Nc1nccs1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 1062092 IFTUNNNFYLMPOI-UHFFFAOYSA-N 372.755 5.328 0 50 FKAA CC[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1 1116845 COZFNLSGCJSHLW-LJQANCHMSA-N 355.441 5.362 0 50 FKAA O=C1N(c2ccccc2)[C@@H](c2ccc(Br)cc2)C12CCCC2 1120691 RSZUXRAXGGIPGI-KRWDZBQOSA-N 356.263 5.097 0 50 FKAA Cc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 1152739 HSROIWVBTKWJBG-UHFFFAOYSA-N 360.526 5.504 0 50 FKAA Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)cc1 1190093 PNYTUNGLTLXISS-GXDHUFHOSA-N 353.830 5.208 0 50 FKAA C[P@@](=O)(Nc1cccc(Br)c1)Oc1ccc(Cl)cc1 1232639 GJFCGDDGAZIHLV-IBGZPJMESA-N 360.575 5.416 0 50 FKAA O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Cl)SCc1ccccc1 1640441 BDZVOXQORILTKA-PKNBQFBNSA-N 359.061 5.490 0 50 FKAA Cc1cc(C)c2nc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c2c1 2525920 NXFXWWSARDMDGJ-UHFFFAOYSA-N 353.421 5.884 0 50 FKAA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(Cl)ccc1Cl 2761318 BUHWCIDURLGUDM-UHFFFAOYSA-N 374.271 5.107 0 50 FKAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1 2841922 ZQECWBLJDCNVJT-UHFFFAOYSA-N 370.496 5.592 0 50 FKAA CCc1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(CC)cc2)C4)cc1 2916956 WCDVGSUBUFFDAH-UHFFFAOYSA-N 368.524 5.852 0 50 FKAA CCOc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4542149 CWQMUAFHDGVDAN-UHFFFAOYSA-N 374.651 5.063 0 50 FKAA Cc1ccc(CN[C@H](C)c2cnn(-c3cccc4ccccc34)c2C)s1 14974450 RVYHSEAQLOZMCE-MRXNPFEDSA-N 361.514 5.555 0 50 FKAA CC(C)c1cc(N[C@H](C)c2ccccc2)n2ncc(-c3ccccc3)c2n1 27585316 ALQSVGWDKSIWEM-QGZVFWFLSA-N 356.473 5.693 0 50 FKAA Cc1nc(SCc2cccc(CSc3nc(C)c(C)o3)c2)oc1C 170602563 GZKOUYOJBSDDNM-UHFFFAOYSA-N 360.504 5.481 0 50 FKAA Cc1ccc([C@H]2c3ccc4ccccc4c3Oc3nc(C)nc(O)c32)cc1 1547138033 VNVGXKZXSJHASB-IBGZPJMESA-N 354.409 5.238 0 50 FKAA C[C@]1(C(=O)Nc2ccccc2Cl)CC2c3ccccc3C1c1ccccc12 1056014 WGEXFUWUIHCXRW-HTIOENIKSA-N 373.883 5.966 0 50 FKAA O=C(CSc1nc2ccccc2s1)c1ccc(Cl)cc1Cl 1208611 MEPGJROGFADBOF-UHFFFAOYSA-N 354.283 5.578 0 50 FKAA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1 2053531 LLBRAHRRJFQOCR-VWLOTQADSA-N 373.471 5.961 0 50 FKAA CC(=O)c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 2496892 AYCWZOUNTRJHGP-UHFFFAOYSA-N 366.420 5.806 0 50 FKAA FC(F)(F)c1ccccc1[C@H]1CC(c2cccs2)=NN1c1ccccc1 4725713 ZIVFHNZOHOSGNH-GOSISDBHSA-N 372.415 6.123 0 50 FKAA Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 4902340 MOLWINUUEKATJQ-OAQYLSRUSA-N 350.824 5.835 0 50 FKAA Cc1ccc(C(C)(C)C[C@H](C)NCc2ccc(Br)cc2)o1 5031680 UWTPZVWOJAINEH-ZDUSSCGKSA-N 350.300 5.197 0 50 FKAA CCCCCCNC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O 5063829 FFTXUVMCLPXDTB-GOSISDBHSA-N 359.897 5.264 0 50 FKAA O=C(NCCC1=CCCCC1)c1ccc(CSc2ccccc2)cc1 6864412 ICPOZTSNKUVXPA-UHFFFAOYSA-N 351.515 5.599 0 50 FKAA O=C(/C=C\c1ccccc1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 15659869 KFBBCYDKQIZTFI-YPKPFQOOSA-N 367.404 5.112 0 50 FKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccc(OC)c3)=NN12 25581881 WFSDURGUCBJQKY-UYAOXDASSA-N 356.853 5.018 0 50 FKAA CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(N)=O 40428900 GZTMFRUGZMZCRD-CFBAGHHKSA-N 357.563 6.297 0 50 FKAA in-vitro C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl 169950619 RNTHWGPBLLUVLZ-TVQRCGJNSA-N 358.700 5.109 0 50 FKAA Cc1ccc(-c2noc([C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 225572445 QMUVZWMFDGSWLW-PBHICJAKSA-N 358.800 5.083 0 50 FKAA CC1(C)CCC[C@H](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 1875343863 XFNQTWSOGCNCKS-GOSISDBHSA-N 360.501 6.009 0 50 FKAA Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccccc1 669649 NCVDYMSPTXCZHH-UHFFFAOYSA-N 350.487 5.668 0 50 FKAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1[C@@H](C)CCC[C@@H]1C 1200593 RHXIAGBJGOVMSO-QWRGUYRKSA-N 367.276 5.360 0 50 FKAA CCCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CC(C)(C)C2 3624975 DSRVJKRBCPAVJG-UHFFFAOYSA-N 360.885 5.032 0 50 FKAA CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(C(C)C)cc1 13325871 DMGNWLWWCAYFPF-UHFFFAOYSA-N 351.519 5.689 0 50 FKAA Cc1cc(Cl)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 17075667 HOGNPOFYPWZMKX-UHFFFAOYSA-N 368.742 5.296 0 50 FKAA O=C(Nc1ccccc1N1CCCCC1)N1CCC(c2ccsc2)CC1 186975443 HWGGXINRKNQLPN-UHFFFAOYSA-N 369.534 5.150 0 50 FKAA C[C@H]1CC=CC[C@H]1CO[C@H](OC[C@H]1CC=CC[C@H]1C)[C@@H]1CC=CC[C@@H]1C 254520926 WAEPJRAKLSUPKF-NPFHSBPPSA-N 358.566 6.153 0 50 FKAA CN(C)Cc1ccc([C@@H]2CCCN2Cc2ccccc2C(F)(F)F)cc1 1506422387 QVDTWIBQMREAKP-FQEVSTJZSA-N 362.439 5.104 0 50 FKAA c1ccc(-c2ccc(CN3CCCC[C@H]3c3cc4ccccc4[nH]3)cc2)cc1 1875318906 YZPNERPRSKQRQF-SANMLTNESA-N 366.508 6.562 0 50 FKAA O=C(CCCCF)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12 1875341371 QKTAWFLBWZHDFN-UHFFFAOYSA-N 372.827 5.759 0 50 FKAA Brc1ccc2c(Br)c(Br)sc2c1 689866 WHMNBDBBTZMDOJ-UHFFFAOYSA-N 370.891 5.189 0 50 FKAA COc1ccccc1-c1coc2cc(OCc3cccc(C)c3)ccc2c1=O 703384 IZGDSPXWXDXGTK-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(OCC(=O)c3ccc(C)c(C)c3)c2)cc1 992977 KFTBVZBIJCKICE-UHFFFAOYSA-N 373.452 5.126 0 50 FKAA Cc1c(C(=O)OC2CCCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 1059460 QRCQRJYAIFZJQU-KRWDZBQOSA-N 365.473 5.115 0 50 FKAA Cc1ccc(C(=O)COc2ccc3cc(-c4ccccc4)c(=O)oc3c2)cc1 1076366 NLRQOFHLPHXKOV-UHFFFAOYSA-N 370.404 5.030 0 50 FKAA O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cccs1 1135409 VHMPBCCXSJLQGM-UHFFFAOYSA-N 368.508 5.852 0 50 FKAA COc1ccc(Cl)cc1NC(=O)CCSc1ccc(Cl)cc1 1172253 ZAYHBRFSJDLIBA-UHFFFAOYSA-N 356.274 5.123 0 50 FKAA Cc1ccc([C@]2(CCN[C@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 1177042 XKIIMXKOMFCIEX-HYBUGGRVSA-N 351.534 5.563 0 50 FKAA biogenic Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)c1 1428364 WMIGKSCXNLCXJB-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA Cc1ccc(-c2nc(Oc3cccc(C)c3)nc(-c3ccc(C)cc3)n2)cc1 2952409 KZOTVDGVIWHLSU-UHFFFAOYSA-N 367.452 5.923 0 50 FKAA C[C@@H](O)C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5371554 HOEXQFSKTQPSOY-HXUWFJFHSA-N 366.484 5.356 0 50 FKAA Clc1ccccc1-c1cncnc1[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 12282305 YMUBTLKGDQRQCM-ZWKOTPCHSA-N 367.924 5.333 0 50 FKAA c1ccc(CN2CCN(Cc3ccccc3)C2c2c[nH]c3ccccc23)cc1 19228338 XKWXHHPLWULWGK-UHFFFAOYSA-N 367.496 5.185 0 50 FKAA Cc1cc(N2CCC(c3nccn3C(C)C)CC2)nc2cc(Cl)ccc12 95501914 UGJYTTOJRFLYCW-UHFFFAOYSA-N 368.912 5.358 0 50 FKAA CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 248216680 GLGSPOATOUUCTE-ZQAYVECASA-N 354.490 5.063 0 50 FKAA CSc1ccc(-c2cccc(C(=O)N(C)C3CCSCC3)c2)cc1 299762922 DJCSMLGBMUPUSE-UHFFFAOYSA-N 357.544 5.043 0 50 FKAA FC(F)(CNc1nc(Cl)nc2sccc12)c1ccc(Cl)cc1 1875330424 XFTINDHBYHVOJY-UHFFFAOYSA-N 360.216 5.202 0 50 FKAA C[C@@H](c1ccco1)N(C(=O)c1ccc(Cl)cc1Cl)c1ccccn1 630650 MGOQURJSSXCKID-LBPRGKRZSA-N 361.228 5.389 0 50 FKAA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cc2ccccc2o1 841554 JJZVUZAKKZCZJQ-UHFFFAOYSA-N 372.355 5.632 0 50 FKAA Cc1cc(=O)oc2cc(OCc3ccc(F)cc3Cl)c(Cl)cc12 1154893 SWMNISBZBQROLB-UHFFFAOYSA-N 353.176 5.126 0 50 FKAA O=C(Oc1cccc2cccnc12)N1c2ccccc2Sc2ccccc21 1156993 NLNZDWCHKNKLDG-UHFFFAOYSA-N 370.433 6.037 0 50 FKAA Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)NCc1ccco1 2861399 IEFQWJKWAHWMOY-UHFFFAOYSA-N 350.201 5.085 0 50 FKAA Clc1ccccc1Cn1c(NCc2cccs2)nc2ccccc21 4663554 KIJUAUNHMTVJDG-UHFFFAOYSA-N 353.878 5.412 0 50 FKAA CCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccccc1 20616654 AKJQNIIMKSTJHM-UHFFFAOYSA-N 361.470 5.062 0 50 FKAA CC(C)COc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 951931 WJCXHCLVPGXCJS-UHFFFAOYSA-N 372.266 5.171 0 50 FKAA Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1Cl 1158088 KKKSSFJGUNSCQK-UHFFFAOYSA-N 352.659 5.280 0 50 FKAA FC(F)(F)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 1204983 YZVGCOGDFKMVQC-UHFFFAOYSA-N 366.346 5.454 0 50 FKAA O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3ccccc3)cc2o1 1776167 OVLMULDOPAYSQZ-UHFFFAOYSA-N 362.812 5.692 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1CC(=O)c1ccccc1 2193513 HSDMTOQDDDRLCZ-XMSQKQJNSA-N 356.469 5.321 0 50 FKAA O=C1c2ccccc2-c2c1c1c(c3ccccc23)ON(c2ccc(F)cc2)C1 2546386 QXNALRNTASSJSB-UHFFFAOYSA-N 367.379 5.504 0 50 FKAA O=C(Oc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 2667038 UMIGCRRQRZPJNZ-UHFFFAOYSA-N 359.812 5.774 0 50 FKAA CC(C)CC(=O)N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 3053164 DXCBIWIIQAUCMU-MRXNPFEDSA-N 373.711 5.110 0 50 FKAA CCCc1c2c(cc(-c3ccccc3)[n+]1-c1cccc(C(=O)O)c1)CCCC2 3130467 OIDSWQBSBDRPCC-UHFFFAOYSA-O 372.488 5.160 0 50 FKAA c1ccc(C2(c3ccccc3)O[C@@H](C3CCCCC3)Nc3ccccc32)cc1 4185112 HMSLRBRPBZVKNB-VWLOTQADSA-N 369.508 6.327 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc(F)c(F)cc1Cl 4851994 JBAJOIJIEBAEEB-UHFFFAOYSA-N 357.743 5.770 0 50 FKAA Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3ccccc3)=NN1C1(CCCC1)O2 5736152 USVBVNUUYAEWDK-SFHVURJKSA-N 373.283 5.807 0 50 FKAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(C)c2)C1 5916781 MRNDKZUKHRLEKU-CQSZACIVSA-N 356.535 5.432 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NOCCO 13685181 ANMKTCMIIFBOGG-DOFZRALJSA-N 363.542 5.172 0 50 FKAA in-vivo Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2cccs2)s1 170618983 RRKQPNHTUSCXLZ-ZDUSSCGKSA-N 358.513 5.171 0 50 FKAA CC[C@H](c1ccccn1)N(C)C(=O)c1cccc(-c2nc(C)c(C)s2)c1 299800850 VZRYDRPJLKWGGG-LJQANCHMSA-N 365.502 5.045 0 50 FKAA Oc1cc(C2CCN(Cc3ccc(C4CCCCC4)s3)CC2)ccn1 1772809380 VPBMWKGEHPMNLC-UHFFFAOYSA-N 356.535 5.276 0 50 FKAA Cc1nn2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc2c1Cl 2786361 RPOHXPRKDTUMIR-UHFFFAOYSA-N 361.754 5.530 0 50 FKAA CC(C)=CCC[C@@H](C)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 4980265 WUXVOUHDSBAPRZ-GOSISDBHSA-N 368.487 5.600 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3CC(C)C)cc1 6832507 UJKXUKRXTJCACO-PZJWPPBQSA-N 370.880 5.264 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nn1-c1cccc(Cl)c1 25763884 GJENDLPZOYIVNO-UHFFFAOYSA-N 367.619 5.198 0 50 FKAA COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@H]1O[C@@H]1CCCCO1 43762368 RWIMUWIOMDXNIY-KNKQGSTJSA-N 362.510 5.078 0 50 FKAA CC[C@@H](F)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746336 HZCSEIOOIWCYMP-GOSISDBHSA-N 359.444 6.164 0 50 FKAA in-vitro CCCCC(=O)Nc1ccc(NC(=O)c2sccc2Cl)cc1C 822815982 OLRRVDPSLBDOAM-UHFFFAOYSA-N 350.871 5.091 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(C2CCCCC2)cc1 1738969 ICHBMMZPDQUVSR-UHFFFAOYSA-N 364.272 6.652 0 50 FKAA O=C(CN1CCCc2ccccc21)N1c2ccccc2Sc2ccccc21 2292052 IXZNRKLXGDNVGK-UHFFFAOYSA-N 372.493 5.269 0 50 FKAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1c(Cl)cccc1Cl 2738330 OINKVZREWPBFOO-UHFFFAOYSA-N 372.679 5.753 0 50 FKAA COc1ccc(N[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 2841435 WLXKUTGEBUEHGQ-NRFANRHFSA-N 365.860 5.775 0 50 FKAA CC(C)(C)c1ccc(C(=O)N(c2ccccc2)c2ccccc2C(=O)O)cc1 3085981 PCHBUEPMMUKNCU-UHFFFAOYSA-N 373.452 5.661 0 50 FKAA S=C(Nc1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 7966302 BZYRWKIYEZXBKA-UHFFFAOYSA-N 359.907 5.196 0 50 FKAA Cc1ccc2nc(Nc3ccccc3C)c(Nc3ccccc3C)nc2c1 17111390 VRKOWXRBFVDDTC-UHFFFAOYSA-N 354.457 6.042 0 50 FKAA CC(=O)[C@@]12CCCC[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118914020 NTISSUBFZAIVDS-UZZVPUAOSA-N 370.577 5.686 0 50 FKAA biogenic COc1ccc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl 1119977 RHWPHIGAZYWFEA-UHFFFAOYSA-N 367.276 5.944 0 50 FKAA Cc1ccc([C@@]2(CCNCc3ccccc3F)CCO[C@H](C(C)C)C2)cc1 2217988 LXQCJRFOFVFPAV-ZEQRLZLVSA-N 369.524 5.387 0 50 FKAA O[C@@H](COc1ccccc1Cl)CN(C1CCCCC1)C1CCCCC1 4484451 RLVOKSOQHDTMCC-LJQANCHMSA-N 365.945 5.047 0 50 FKAA O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 4795946 AZKIASRUVNXENT-UHFFFAOYSA-N 371.072 5.101 0 50 FKAA O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1ccc(Oc2ccccc2)cc1 11363967 PDJGPBAMXFVBLT-UHFFFAOYSA-N 363.800 5.346 0 50 FKAA Fc1cccc(-c2cn[nH]c2C2CCN(Cc3ccc(Cl)cc3)CC2)c1 12246066 LQVFCISQTIKWQN-UHFFFAOYSA-N 369.871 5.249 0 50 FKAA Cc1cccc(CSc2nnc(CC34CC5CC(CC(C5)C3)C4)n2C)c1 17075505 UPUHTDOZEPCMMU-UHFFFAOYSA-N 367.562 5.175 0 50 FKAA CCCCCn1cc(-c2nc(CN(CC)CC)cs2)c2ccccc21 299817250 PCNLLVFKBKMRDB-UHFFFAOYSA-N 355.551 5.797 0 50 FKAA in-vitro O=C1C(O)=C(CCC[C@@H]2CC[C@H]3CCCC[C@H]3C2)C(=O)c2ccccc21 642078 AWYKAOYJOQIVKI-ZACQAIPSSA-N 352.474 5.655 0 50 FKAA O=C(Nc1ccc(Cl)cn1)c1sc2cc(Cl)ccc2c1Cl 679922 UYZIZMWTJNEOBY-UHFFFAOYSA-N 357.649 5.509 0 50 FKAA COc1ccc(CNc2ccc(Br)c(C)c2)c2ccccc12 856877 UJLHMVICWBTMAH-UHFFFAOYSA-N 356.263 5.531 0 50 FKAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1Cl 1067386 XYNIQFOJWFAARL-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccc1Cl 1116170 OCUXDLJBENBZHQ-UHFFFAOYSA-N 367.232 5.508 0 50 FKAA O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cl)s1 1200953 RJXVLIGFRHLRHK-UHFFFAOYSA-N 370.886 5.931 0 50 FKAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 4438530 RMPDWYSTALCBRQ-FYYLOGMGSA-N 374.415 5.077 0 50 FKAA CC(=O)Oc1cccc2ccc(/C=C/c3cccc(Cl)c3Cl)nc12 4907455 GZQMTVAWBHFCIX-CSKARUKUSA-N 358.224 5.637 0 50 FKAA O=C(Nc1ccc(Br)c2ccccc12)OCc1ccccc1 40456616 YTEZGWHQCCNKET-UHFFFAOYSA-N 356.219 5.351 0 50 FKAA in-vitro COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@@H]2[C@H]3c2ccccc2)cc1 254816551 IAPNQZCYNPAEIU-USDJYLPVSA-N 374.871 5.276 0 50 FKAA CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CCC[C@@]4(C)[C@H]3CC[C@@]21C 257350206 VOYKELMCSUDIBK-KDAZDXDFSA-N 368.649 8.050 0 50 FKAA CCC(=O)c1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1 952452 BJAQFRUMZMUDEZ-UHFFFAOYSA-N 354.409 5.682 0 50 FKAA O=C(Nc1ccccc1OC(F)F)c1cccc(OCc2ccccc2)c1 1070401 KYVRPJOEDAWRTO-UHFFFAOYSA-N 369.367 5.119 0 50 FKAA CC(C)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 1140261 LHHJHVONVCUSTJ-UHFFFAOYSA-N 374.469 5.129 0 50 FKAA CCc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1180661 DZUBDQFDQUGJLV-UHFFFAOYSA-N 360.482 5.043 0 50 FKAA Cc1ccc(-c2nc3ccc(C(=O)O)cc3nc2-c2ccc(C)cc2)cc1 1233793 BPQHAKKJCUVPDN-UHFFFAOYSA-N 354.409 5.279 0 50 FKAA O=C(c1ccc(Cl)c(Cl)c1)c1cnc(-c2ccc(Cl)cc2)s1 3029462 NYGLTBDZIFNGKS-UHFFFAOYSA-N 368.672 6.001 0 50 FKAA CC(C)(C)C1CCC(O[C@@]2(c3ccccc3)OC(=O)c3ccccc32)CC1 4646429 KURSCXGDSWIAPQ-FJDUUPPCSA-N 364.485 5.680 0 50 FKAA Clc1cc(Cl)c(Cc2cc(Cl)c(Cl)cc2Cl)cc1Cl 71767050 USIOLZNYOHTTHA-UHFFFAOYSA-N 374.909 7.198 0 50 FKAA CSCc1cccc(NC(=O)c2cccc(-c3ccccn3)c2C)c1C 133149157 OKNHZIVDWPWMCR-UHFFFAOYSA-N 362.498 5.481 0 50 FKAA CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 216147699 IODXJYTUOGPLCA-LADGPHEKSA-N 370.452 5.328 0 50 FKAA O=C(CCC1CCCC1)Nc1cccc(NC(=O)CCC2CCCC2)c1 671039 IOYXCYCDMVTQBJ-UHFFFAOYSA-N 356.510 5.504 0 50 FKAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc(Cl)c1Cl 677534 GDPJQCPHIWOVLO-CPCISQLKSA-N 353.076 5.523 0 50 FKAA CCCc1ccc(Oc2c(C)oc3c(C)c(OC(C)=O)ccc3c2=O)cc1 706791 QXYYVCOUNUHUDQ-UHFFFAOYSA-N 366.413 5.080 0 50 FKAA COc1cc2c(C(=O)c3ccc(Cl)cc3)c(C)oc2c2ccccc12 752282 FYGZFEWFRNVNJB-UHFFFAOYSA-N 350.801 5.787 0 50 FKAA COc1ccccc1C(CC(=O)c1ccccc1)CC(=O)c1ccccc1 847469 GHWBMURKXUDZMP-UHFFFAOYSA-N 358.437 5.325 0 50 FKAA Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)c(C)c3)n2)cc1C 1103167 CVEIPCJKNKJLKJ-UHFFFAOYSA-N 353.857 5.246 0 50 FKAA COc1ccc(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 1129174 NQNVCMSYNOZOFF-UHFFFAOYSA-N 352.261 5.272 0 50 FKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c(Cl)c1 1153025 RKFISIOPGJQNDT-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA O=C(Cc1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 1218932 JLNJXPKNXLWIEF-UHFFFAOYSA-N 362.816 5.329 0 50 FKAA O=C(Nc1c(Cl)c(Cl)c(O)c(Cl)c1Cl)c1ccccc1 1232073 OKEFXBZSBMNWPE-UHFFFAOYSA-N 351.016 5.258 0 50 FKAA ClC(Cl)(Cl)[C@@H](c1ccccc1)c1ccc(Br)cc1 1631191 NBTGDHBAHMODDU-ZDUSSCGKSA-N 364.497 5.951 0 50 FKAA Cc1cccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 1773712 BMQFZLQIMIQABF-UHFFFAOYSA-N 353.506 6.040 0 50 FKAA O=C(Nc1ccc(Cl)cc1)OCCOc1ccc(Cl)cc1Cl 2171684 QFIFNMZZFIWETL-UHFFFAOYSA-N 360.624 5.274 0 50 FKAA CC(C(=O)Oc1cccc2cccnc12)(c1ccccc1)c1ccccc1 2320887 MQEYAUMRBABBGB-UHFFFAOYSA-N 353.421 5.146 0 50 FKAA C[C@H](NC(=O)c1ccccc1OC/C=C/c1ccccc1)c1ccccc1 2862939 ZFYUYWJXBXBQGE-QHSLDKKCSA-N 357.453 5.270 0 50 FKAA O=C(Nc1ccccc1F)c1sc2ccccc2c1Br 4542601 ITCSSXXEZIBMNN-UHFFFAOYSA-N 350.212 5.055 0 50 FKAA Cc1cc(=O)oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc12 5122583 UUORZYZBLFPNSD-UHFFFAOYSA-N 370.813 5.189 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77459292 VFGPQOQLVGDQNI-LJQANCHMSA-N 364.420 5.157 0 50 FKAA Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1 81213892 LPGBXHWIQNZEJB-UHFFFAOYSA-N 364.416 5.397 0 50 FKAA in-vitro Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)[nH]c12 91321430 YIXIAQCSULFBEH-GOSISDBHSA-N 350.437 5.210 0 50 FKAA CC(C)n1ccnc1[C@@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 95384124 VHHBGJYOYSIKFE-MRXNPFEDSA-N 354.885 5.050 0 50 FKAA O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ccccc1Br 633202 SUOUKQXMJVMRGK-SFHVURJKSA-N 358.279 5.110 0 50 FKAA Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1Br 634169 NPVOIWXJADODFV-UHFFFAOYSA-N 366.258 5.677 0 50 FKAA COc1cc(CNc2cccc(Cl)c2)ccc1OCc1cccc(F)c1 1072842 UBGPVEPKVBFZPN-UHFFFAOYSA-N 371.839 5.679 0 50 FKAA Clc1ccc(Cc2noc(COc3ccc(Cl)cc3Cl)n2)cc1 1179356 KCPLKRXQIYSDFN-UHFFFAOYSA-N 369.635 5.200 0 50 FKAA CCOc1ccc([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 2853535 ZEICBZKNMLDQQE-LBPRGKRZSA-N 368.424 5.152 0 50 FKAA COc1ccc2c(C)cc(SCC(=O)c3ccc(C)c(C)c3)nc2c1 2861817 TVQQRGFBSLUXTO-UHFFFAOYSA-N 351.471 5.144 0 50 FKAA CC1(C)C[C@@H]([C@H](CCNCc2ccccc2)c2ccc(F)cc2)CCO1 4093995 OYRXDALYHOEYRD-RBBKRZOGSA-N 355.497 5.294 0 50 FKAA Cc1ccccc1C(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 170619406 PGLRXZMJSYIWSA-GOSISDBHSA-N 352.484 5.110 0 50 FKAA CC(C)CN[P@](=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1 263621521 NIUIUSQEYIIYEC-SSYAZSBWSA-N 351.471 5.228 0 50 FKAA Cc1ccc2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2n1 947969 CKJUWDDRNBWAEL-UHFFFAOYSA-N 354.409 5.880 0 50 FKAA COc1ccc(Cl)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 1174228 LBPCRISVOQMPRU-UHFFFAOYSA-N 367.832 5.180 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(Cl)cc1Cl 1590792 ZYXIBHVUSCEJHA-UHFFFAOYSA-N 365.304 6.884 0 50 FKAA Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(-c3ccccc3)c12 1782896 GTQIOAASAQTRFV-UHFFFAOYSA-N 361.448 6.063 0 50 FKAA COC(=O)c1ccc(-c2nnc(Nc3ccccc3C)c3ccccc23)cc1 2291040 QXLDOHHLHCGHPD-UHFFFAOYSA-N 369.424 5.135 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1CC(=O)c1ccccc1 4663034 HSDMTOQDDDRLCZ-GCJKJVERSA-N 356.469 5.321 0 50 FKAA CC[C@@H](C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1)c1ccccc1 4809593 CEANJNQRBWDTAE-OAQYLSRUSA-N 369.468 5.442 0 50 FKAA C/C(=C\c1ccco1)CN1CCC[C@H](c2[nH]ncc2-c2cccc(C)c2)C1 12151339 XERXFFOVXIOLPJ-ZPBCLNFZSA-N 361.489 5.261 0 50 FKAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)c1 15005668 BCXOZJPABOAVMA-GOSISDBHSA-N 367.443 5.043 0 50 FKAA CC(C)CCn1ncc(NC(=O)N2CCC[C@H]2c2cccs2)c1C(C)C 331585481 LNFFZWARUINYEH-KRWDZBQOSA-N 374.554 5.483 0 50 FKAA COc1ccc2nc(NC(=O)Nc3cccc(Cl)c3Cl)sc2c1 641822 HBVIYDCDPHODIV-UHFFFAOYSA-N 368.245 5.256 0 50 FKAA Cc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 991704 CUOYXHGASGHNDO-UHFFFAOYSA-N 372.251 6.346 0 50 FKAA Cc1cccc(C(C)C)c1NC(=O)CC(c1ccccc1)c1ccccc1 1019015 BIKWDMGJBQRNES-UHFFFAOYSA-N 357.497 6.279 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 1117148 CUUAESFGFDJDCS-UHFFFAOYSA-N 358.224 6.038 0 50 FKAA Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cn2)c(Br)c1 1141126 RVCKKMOEWBLKJS-UHFFFAOYSA-N 366.564 5.617 0 50 FKAA COc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3894669 WTXIISOQGKXPDJ-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA CCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 3978000 RSEPBGGWRJCQGY-YBNCXLCVSA-N 356.506 5.350 0 50 FKAA in-man C[C@@H](Sc1nc2cc(-c3ccccc3)c(-c3ccccc3)cc2[nH]1)C(=O)O 4819995 AXZWGOMFTQVALH-CQSZACIVSA-N 374.465 5.462 0 50 FKAA Cc1cc(OC(F)F)ccc1NC(=O)/C=C/c1cccc2ccccc12 6527811 BNLFPVYVLNXWRX-FMIVXFBMSA-N 353.368 5.402 0 50 FKAA CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccc(F)cc1 13325526 MCXXBMLNQGSALW-UHFFFAOYSA-N 365.836 5.189 0 50 FKAA C[C@]12CC[C@H](O[C@H]3CCCCO3)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 257356547 IYAFUOCOYSUWOG-FOWBGHGSSA-N 374.565 5.510 0 50 FKAA Clc1ccc(OC[C@@H]2CO[C@@H](c3ccc(-c4ccccc4)cc3)O2)cc1 641472 VTTSPGTWSUGSNI-FGZHOGPDSA-N 366.844 5.500 0 50 FKAA Cc1ccc(OCc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1C 651561 XFKCRJXBHUJYDF-IBGZPJMESA-N 371.480 5.474 0 50 FKAA COc1cc(CNc2cccc(C)c2)ccc1OCc1ccccc1Cl 982768 QWDQMLAGDCBERR-UHFFFAOYSA-N 367.876 5.848 0 50 FKAA COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1208439 OPUZTHCDZBGPTN-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12 1230417 DLRGQCSCQAFQBF-UHFFFAOYSA-N 362.610 5.016 0 50 FKAA COC(=O)c1ccccc1Sc1c(-c2ccccc2)nc2sccn12 2483606 HGEZEKSMAMOXKF-UHFFFAOYSA-N 366.467 5.001 0 50 FKAA CCCCCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1 2875475 ZEPLNWFHZKKEQU-UHFFFAOYSA-N 363.910 5.883 0 50 FKAA Cc1oc(-c2ccoc2)nc1CN1CCCC[C@H]1CCc1ccccc1 12076745 IDHIMKOPSANQIT-FQEVSTJZSA-N 350.462 5.230 0 50 FKAA O=C1S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1ccccc1 13477015 VZLKHXXHYHSOAL-LDADJPATSA-N 365.385 5.327 0 50 FKAA CC1=C(C)[C@@]2(C)[C@@]1(C)[C@H](C)[C@@]2(C)OC(=O)c1ccc(Br)cc1 253600717 XCKBIRVNXHZZSU-NUDXDXSLSA-N 363.295 5.377 0 50 FKAA Cc1cc(OC(=O)Nc2cccc(Cl)c2)c(C)cc1Br 641056 RRNRLJBFJXZXSQ-UHFFFAOYSA-N 354.631 5.330 0 50 FKAA Cc1ccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)cc1 647351 BLDPMQWQKHQXBT-UHFFFAOYSA-N 372.493 5.029 0 50 FKAA COc1ccc(OCc2nc3ccccc3n2[C@H](C)c2ccccc2)cc1 1016356 IIJHJAGBQUHDKN-QGZVFWFLSA-N 358.441 5.233 0 50 FKAA Cc1ccc2nc(-c3cccc(NC(=O)COc4ccccc4C)c3)oc2c1 1204242 VIVJWQIWBGJJMZ-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA c1ccc2sc(CSCSCc3nc4ccccc4s3)nc2c1 2273150 BOOQTDPRYNDFJW-UHFFFAOYSA-N 374.581 6.030 0 50 FKAA biogenic Clc1ccc(CSc2nnc3sc4ccccc4n23)c(Cl)c1 4138691 WPKDDDRDMTXFQO-UHFFFAOYSA-N 366.298 5.543 0 50 FKAA CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C 4529152 YKGBNAGNNUEZQC-UHFFFAOYSA-N 353.679 7.938 0 50 FKAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@@H]3c3cccc(F)c3)oc2c1 91320602 AQNUZIZBIREZNO-LJQANCHMSA-N 351.421 5.556 0 50 FKAA Cc1cc2oc(C(=O)Nc3ccccc3-n3cccn3)c(C)c2cc1Cl 334162068 JAIVZUZBALWLEW-UHFFFAOYSA-N 365.820 5.141 0 50 FKAA O=C(Nc1ccc2ccccc2c1)Nc1ccccc1SC(F)(F)F 771825 JPWBITKVPZNHHR-UHFFFAOYSA-N 362.376 6.096 0 50 FKAA COc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 946420 LPBXLVFJVZMEIL-ACCUITESSA-N 367.489 5.603 0 50 FKAA CCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1 1113623 LHDYCBKOBJRRPL-QGZVFWFLSA-N 374.484 5.315 0 50 FKAA O=C(CSc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 1140079 AQDHQSYQXJWQSW-UHFFFAOYSA-N 363.763 5.229 0 50 FKAA S=C(Nc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 1144505 BIFVXLNOCFNXBH-UHFFFAOYSA-N 350.512 5.788 0 50 FKAA O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc(F)c1 1176807 VXHJSBAVVIYYOL-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccs1 1205082 OMXAIBASRRBPLG-UHFFFAOYSA-N 354.818 5.462 0 50 FKAA Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 1787269 ILBRVBIZFSNMKJ-MRXNPFEDSA-N 365.860 5.721 0 50 FKAA CC(C)(C)c1cc(NC(=O)c2csc3c2CC[C@H](C(C)(C)C)C3)no1 2754889 OSQIIXSRTJVTNN-LBPRGKRZSA-N 360.523 5.437 0 50 FKAA Cc1ccc(SCCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2801264 OTQIGRTZNREHJK-UHFFFAOYSA-N 355.290 5.216 0 50 FKAA Cc1nc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cs1 4247945 RBOYDDDJEPMGNU-UHFFFAOYSA-N 350.487 5.668 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](C1CCCCC1)O2 4854261 FJALTQDTMYHTAY-FXAWDEMLSA-N 372.921 5.851 0 50 FKAA O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1nc(C2CCCCC2)cs1 4890769 MJYGYZWMXDTFOJ-UHFFFAOYSA-N 373.566 5.529 0 50 FKAA Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1C 6966674 JFGACKIJAALEKY-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA Oc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCCCC1 9234517 PHGKTXOIVHVYHO-UHFFFAOYSA-N 352.865 5.247 0 50 FKAA CCCCc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 13329899 ZCCXVALAFKMYIL-ZDUSSCGKSA-N 365.304 6.219 0 50 FKAA O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(C2CCC2)CC1 14966049 MNKWPSHVRFZICM-UHFFFAOYSA-N 373.500 5.038 0 50 FKAA Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccsc2)c1 14969997 BHXNJHBQQXHJPB-JOCHJYFZSA-N 360.482 5.083 0 50 FKAA CC(=O)c1ccc(-c2oc(-c3ccc(C(C)=O)cc3)c(Cl)c2Cl)cc1 71769318 NIVZYOUWNOPHQZ-UHFFFAOYSA-N 373.235 6.326 0 50 FKAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3cc(C(C)C)on3)oc2c1 91997682 XNBPIRXIMFNZHT-KRWDZBQOSA-N 352.434 5.138 0 50 FKAA CC[C@@H](C)N1C(=O)CC[C@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 334163284 NJPTZMIPNXGMBN-UTKZUKDTSA-N 360.501 5.616 0 50 FKAA CC(C)c1nccn1CCCNc1ccnc2c(C(F)(F)F)cccc12 1529151960 IECHWZIEHJVMAN-UHFFFAOYSA-N 362.399 5.076 0 50 FKAA CCc1cccc2c1NC(C)(C)c1sn(-c3ccc(C)cc3)c(=S)c1-2 2268186 HBDXKPRCZSEUIR-UHFFFAOYSA-N 366.555 6.467 0 50 FKAA Clc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 2364136 AEPFJSJNJIQFAH-UHFFFAOYSA-N 364.948 5.776 0 50 FKAA CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)cc1 5673468 YZRHKGIVBKDWOC-OAQYLSRUSA-N 362.473 5.289 0 50 FKAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1C[C@@H]2CCC[C@H]1C2 14981290 JQLRQBZJHCPHDB-CJNGLKHVSA-N 350.384 5.043 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609165 DTGDZMYNKLTSKC-PWGWTGGKSA-N 370.665 8.418 0 50 FKAA O=C(c1ccc(Cl)cc1)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 328597851 JBQRDGWIKRIMSN-MRXNPFEDSA-N 372.902 5.455 0 50 FKAA Cc1cc(C)c(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)c(C)c1 1064240 UNAUOIUIAZPRRL-UHFFFAOYSA-N 353.465 5.791 0 50 FKAA CCCC(=O)N(c1ccc(F)cc1)c1nc(-c2ccccc2)c(C)s1 1140616 AELSCMMSNALDRB-UHFFFAOYSA-N 354.450 5.722 0 50 FKAA O=C(Nc1ccc(F)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 1140933 QMMSLTPGRASAIV-UHFFFAOYSA-N 355.796 5.310 0 50 FKAA Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 1172897 DBQMNSMYVKPJLE-UHFFFAOYSA-N 350.245 5.212 0 50 FKAA CCc1cccc(CC)c1NC(=O)COc1ccc(-c2ccccc2)cc1 1777359 DRZYHWGITIASND-UHFFFAOYSA-N 359.469 5.496 0 50 FKAA Cc1ccc2cccc(OCCCOc3ccccc3-c3ccccc3)c2n1 2825424 KUTLBILUZOLEKW-UHFFFAOYSA-N 369.464 6.058 0 50 FKAA CCOc1cc(CNC2CCCC2)ccc1OCc1ccccc1Cl 2884444 OZHHWPCZAOUYGL-UHFFFAOYSA-N 359.897 5.350 0 50 FKAA CCCCCCOP(=O)(OCCCCCC)OCCCCCC 4795013 SFENPMLASUEABX-UHFFFAOYSA-N 350.480 6.885 0 50 FKAA in-vitro C[C@@H](NC(=O)CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccccc1 4810728 DBWCPODJZMDQMG-NRDQXKTASA-N 373.540 5.792 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3ccncc3)c3cccc(C)c3n2)cc1C 6401609 YLYFZTYNNZIUHX-UHFFFAOYSA-N 367.452 5.474 0 50 FKAA O=C(O)c1cc(-c2cccc(Cl)c2)nc2cc(Br)ccc12 6862036 ZIRWXLYTCDPYKF-UHFFFAOYSA-N 362.610 5.016 0 50 FKAA Fc1cc(Cl)ccc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72426046 XGMRAFKTFAPLJW-UHFFFAOYSA-N 352.800 5.030 0 50 FKAA C/C(O)=C/[C@@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 102278141 ODABPDYNCJGXFG-XADQWHJNSA-N 354.837 5.062 0 50 FKAA CC(C)N(C(=O)c1ccccc1-c1ccc(-c2ccon2)s1)C(C)C 534635514 FQPYEUCBBZPRMI-UHFFFAOYSA-N 354.475 5.329 0 50 FKAA Cc1csc(Cl)c1NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 888102384 SESLOANKLGOVFO-UHFFFAOYSA-N 374.893 5.182 0 50 FKAA C[C@@H](c1ccccc1)n1c(=O)n(CC2CCC(C)(C)CC2)c2ccccc21 1875343052 OGMIQUDHNKBTIQ-SFHVURJKSA-N 362.517 5.629 0 50 FKAA C[C@@H]1CC[C@@H](NC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c2ccccc21 2325866217 DNPDRDJLVLBLEJ-AUSMBZDKSA-N 368.908 5.524 0 50 FKAA O=C(c1ccccc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1135906 ORGZCBJHLVRULA-UHFFFAOYSA-N 350.421 5.664 0 50 FKAA COc1ccccc1-c1cc(C(F)F)c2c(C)nn(-c3ccccc3)c2n1 2733619 YOVZUTYCAXOMDC-UHFFFAOYSA-N 365.383 5.342 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](C1CCCCC1)O2 4854262 FJALTQDTMYHTAY-YLJYHZDGSA-N 372.921 5.851 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3cccc(C)c3n2)cc1C 6789484 ZTHXWMLSKQYQNU-IBGZPJMESA-N 372.512 5.842 0 50 FKAA Clc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1 100687851 NAHAHBXSDPMVID-NRFANRHFSA-N 357.844 5.746 0 50 FKAA O=C(O)CC[C@H](CCSCc1ccccc1)SCc1ccccc1 144764005 IGIPOHQCJMKOIV-LJQANCHMSA-N 360.544 5.477 0 50 FKAA CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1C(C)=O 253595587 GIYJTJPCTWLLOH-ZFTIDSTFSA-N 360.538 5.166 0 50 FKAA C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)Nc1ccc(Cl)cc1 1875306157 VVFLCHRKRMYJAS-IBGZPJMESA-N 364.823 5.247 0 50 FKAA COc1cccc2c1O[C@@H](c1nc(-c3ccc(-c4ccccc4)cc3)no1)C2 1875342671 BWTGVVDLGQCQCM-HXUWFJFHSA-N 370.408 5.088 0 50 FKAA C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@@H](C)c1nc(C2CCCCC2)no1 1875357723 UHIBWVBBEXMYNI-IRXDYDNUSA-N 367.537 5.278 0 50 FKAA CC1(C)CC(=O)c2c(nc(Cc3ccccc3)c3[nH]c4ccccc4c23)C1 751778 ZYGNXJZHYJIIEW-UHFFFAOYSA-N 354.453 5.462 0 50 FKAA COc1cccc(-c2coc3c2c(C)cc2oc(=O)c4c(c23)CCCC4)c1 1155926 OKHAQEJLENEKAP-UHFFFAOYSA-N 360.409 5.402 0 50 FKAA biogenic CCc1ccc2oc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nc2c1 1210400 FJELOAABZXNALE-UHFFFAOYSA-N 356.425 5.618 0 50 FKAA CCCCOc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 1859011 JVSXDQFQXAGBPM-UHFFFAOYSA-N 366.230 5.019 0 50 FKAA O=C(NCCCc1ccccc1)N1c2ccccc2Sc2ccccc21 2324765 WYTYMTVDUJAELB-UHFFFAOYSA-N 360.482 5.632 0 50 FKAA CCCCCC1CCC(c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1 4714383 HMEOOKGLYKYTGR-UHFFFAOYSA-N 350.502 6.906 0 50 FKAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 4833221 ZHZRSOYYDFGQQX-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA CCc1cccc2c(C3CCN(C(=O)C4CCC(F)(F)CC4)CC3)c[nH]c12 158071347 AVXMDNGSYGWTRH-UHFFFAOYSA-N 374.475 5.262 0 50 FKAA CC(C)c1nc2ccc(NC(=O)Cc3csc(C(C)(C)C)n3)cc2s1 170619242 HZUAALGBMZYPAB-UHFFFAOYSA-N 373.547 5.355 0 50 FKAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@@H]3CC[C@]12C 257348162 BUIQHUBDLNDWCY-UQEPQNNOSA-N 354.481 5.596 0 50 FKAA CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C)(C)C 959518 XFBFTJKFRHRMRM-UHFFFAOYSA-N 359.491 5.193 0 50 FKAA C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)C1 995723 VEDATEAMQXYHTH-CYBMUJFWSA-N 370.905 5.489 0 50 FKAA Cc1cccc(C)c1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 1003225 QVLLVMJTQDHTEC-UHFFFAOYSA-N 355.821 5.381 0 50 FKAA CCOc1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 1866301 XTZAASQWSQJTIH-UHFFFAOYSA-N 369.357 5.763 0 50 FKAA OC1=NC(=S)S/C1=C/c1cccc(OCc2ccccc2Cl)c1 2055982 KBOMKXMRXTYCLF-OQLLNIDSSA-N 361.875 5.248 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3CC[C@H]2C1 2508250 GBSGMSKNTLPLQF-LOJKRVSXSA-N 356.506 5.006 0 50 FKAA CCCC[C@H](C(=O)c1cccs1)[C@H](CCCC)C(=O)c1cccs1 2518809 JLKDAEGFZSFYSV-HOTGVXAUSA-N 362.560 6.488 0 50 FKAA c1ccc(Oc2cccc(OCCOc3cccc4cccnc34)c2)cc1 2984187 VBKUIAYAMWMGKM-UHFFFAOYSA-N 357.409 5.485 0 50 FKAA CC1(C)C[C@@H]([C@@H](CCNCc2ccccc2)c2ccc(F)cc2)CCO1 4093993 OYRXDALYHOEYRD-UNMCSNQZSA-N 355.497 5.294 0 50 FKAA Cc1ccc(CCSc2cc(C(C)(C)C)c(F)c(C(C)(C)C)c2)cn1 8656698 DIVSRTATCRWLQE-UHFFFAOYSA-N 359.554 6.459 0 50 FKAA CCc1cc(C(F)(F)F)c2c(C)nn(Cc3ccc(Cl)cc3)c2n1 20605283 BFTJTHPIKNHWMG-UHFFFAOYSA-N 353.775 5.023 0 50 FKAA COc1ccc(Oc2cccc(C(F)(F)F)c2)cc1CN1CCCC1 67603609 GKENQURGTXMNLV-UHFFFAOYSA-N 351.368 5.102 0 50 FKAA CCCC[Sn](CC=C(C)C)(CCCC)CCCC 169743321 XEFRYQPTIWSVGI-UHFFFAOYSA-N 359.186 6.802 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H](C[C@H](C)[C@H]4C(C)=O)[C@@H]3CC[C@H]2C1 257349659 PZCXJZFJUJOEBZ-JWASXLDGSA-N 372.549 5.332 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CC[C@@H]2O 257357456 OEECLXWCHUIMAU-UKWHWBIXSA-N 374.565 5.222 0 50 FKAA Cc1cc(C)nc(Nc2nc(-c3ccccc3)c3ccc(Cl)cc3n2)n1 755334 OJKZHSISTGCJEA-UHFFFAOYSA-N 361.836 5.101 0 50 FKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Br 786715 NGPURBDJUCTCAW-SNVBAGLBSA-N 370.699 5.222 0 50 FKAA COc1ccc(-c2nc(-c3cccc(F)c3)[nH]c2-c2ccc(OC)cc2)cc1 827868 CTZPFKOZXADABY-UHFFFAOYSA-N 374.415 5.567 0 50 FKAA CCC[C@H](C)c1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 1049187 UFHQXUATEBGUHZ-AWEZNQCLSA-N 351.475 5.361 0 50 FKAA Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)NCc1ccccc1 1122891 ZSXCCXUAFXPVCL-UHFFFAOYSA-N 360.240 5.492 0 50 FKAA COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1142992 MXBBRTDSFHVUBK-UHFFFAOYSA-N 370.710 5.266 0 50 FKAA O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1F 1172783 IWZJJPRFFVDZOA-UHFFFAOYSA-N 363.388 5.220 0 50 FKAA Cc1ccccc1Nc1nnc(-c2cc3cc(Cl)ccc3oc2=O)s1 1183834 QYEIRYZYQPEJPB-UHFFFAOYSA-N 369.833 5.017 0 50 FKAA c1ccc(-c2ccc(-c3csc(Nc4ccc5c(c4)OCO5)n3)cc2)cc1 1194263 AVJHECADJMNACF-UHFFFAOYSA-N 372.449 5.949 0 50 FKAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1Cl 1218326 ZTZDHGXQQDVPNT-UHFFFAOYSA-N 350.123 5.144 0 50 FKAA CCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1 2143157 IOQVTKXSCSKZNX-UHFFFAOYSA-N 364.923 5.220 0 50 FKAA CCCCCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 2875353 VCCUBMKNWPWDSM-UHFFFAOYSA-N 358.438 5.257 0 50 FKAA COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 2982530 UCJGQJXDUSGEMK-UHFFFAOYSA-N 365.043 5.561 0 50 FKAA CC(C)c1ccccc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 4541807 NMKWHPUFKDWMBG-UHFFFAOYSA-N 367.876 6.295 0 50 FKAA Cc1ccnc(-c2ccc(N[C@H](C)c3ccc(OC(F)(F)F)cc3)cc2)n1 170627445 IMQCCOJHINIMMA-CQSZACIVSA-N 373.378 5.524 0 50 FKAA Cc1ccc(C)c(NC(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c1 631099 CWBCIDGZGIDRJQ-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA COc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1Cl 951535 AHBZLAYCZFTLBH-XMHGGMMESA-N 363.844 5.528 0 50 FKAA CC(=O)[C@@H](C(=O)c1ccccc1)[C@H]1c2ccccc2Oc2ccc(C)cc21 1178496 WJCDXMWCRHFOGU-PKTZIBPZSA-N 356.421 5.321 0 50 FKAA O=C(COc1cccc2cccnc12)Nc1ccc(Oc2ccccc2)cc1 2223263 WCHAOBRAKCDNDG-UHFFFAOYSA-N 370.408 5.045 0 50 FKAA Cc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c(C)c1 2225301 CUSYURQQJAHGDE-UHFFFAOYSA-N 362.907 5.297 0 50 FKAA O=C(CCNc1ccc(C2CCCCC2)cc1)c1ccc2ccccc2c1 2520615 IKDUQHGLSNQVAV-UHFFFAOYSA-N 357.497 6.572 0 50 FKAA Clc1ccccc1Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 2546707 QNCKJFRXTWNEOJ-UHFFFAOYSA-N 362.885 6.874 0 50 FKAA CCOc1ccc(C2=NN3[C@@H](CC(C)C)Oc4ccccc4[C@H]3C2)cc1 6048161 CSPXHFCMQHBXSF-IFMALSPDSA-N 350.462 5.001 0 50 FKAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccc(C)c(C)c3)c2C)c1 13331439 WBCGPTGDCZKROD-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA CC(C)(C)CC(=O)N1CCC(n2c(C3CCC3)nc3cc(F)ccc32)CC1 19841477 ZTIIOYLZCDUHEF-UHFFFAOYSA-N 371.500 5.043 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(O)cc21 64858565 OTRCAWIVHSQWPC-UHFFFAOYSA-N 357.453 5.921 0 50 FKAA in-vitro CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1 248167176 PBIFTROFCZATFC-OPMHRUBESA-N 354.456 7.075 0 50 FKAA FC(F)(F)c1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325823791 FDOZOJJQHSUNDE-UHFFFAOYSA-N 355.772 5.043 0 50 FKAA CC(C)Oc1ccc(COc2ccc([C@H](C)CC(=O)O)cc2)cc1Cl 623217 KOLGILXZTXBLJB-CQSZACIVSA-N 362.853 5.284 0 50 FKAA O=C(NCc1ccc(F)cc1)c1sc2cc(Cl)ccc2c1Cl 651894 GSGFATHLTWPYDL-UHFFFAOYSA-N 354.233 5.277 0 50 FKAA COc1cccc(NC(=O)[C@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)c1 754638 OUUQDZGQPYSQEE-HSZRJFAPSA-N 371.480 5.257 0 50 FKAA Cc1cccc(-c2noc(-c3c(-c4ccccc4Cl)noc3C)n2)c1 1096048 RTGIHCKDEHISBP-UHFFFAOYSA-N 351.793 5.329 0 50 FKAA CCc1cc(=O)oc2cc(OCc3c(F)cccc3Cl)c(Cl)cc12 1138460 JYSZZOPYOIDPEN-UHFFFAOYSA-N 367.203 5.380 0 50 FKAA Cc1nc2cc(-c3ccc(Cl)c(Cl)c3)nn2c(N)c1-c1ccccc1 2384355 WREXONAOLZPMME-UHFFFAOYSA-N 369.255 5.261 0 50 FKAA CC1(C)C[C@@]2(C[C@]3(C1)Nc1ccccc1S3)Nc1ccccc1S2 2461670 BYMVEACBOPPAJZ-WOJBJXKFSA-N 354.544 6.025 0 50 FKAA CCCCOc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 2526047 XWHBFFHZDIIBEL-UHFFFAOYSA-N 369.848 5.741 0 50 FKAA CCCCOc1cccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c1 2526051 RAHHPWFPFLEJSX-UHFFFAOYSA-N 369.848 5.741 0 50 FKAA O=C(Nc1ccc(N2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 2981783 CMOLDXXJGWGBFH-UHFFFAOYSA-N 370.496 5.448 0 50 FKAA CCC1(CC)O[C@@H]2c3cc(Cl)cc(Cl)c3OCN2c2ccccc21 6659347 QGKJTIJLEVVKSC-GOSISDBHSA-N 364.272 5.894 0 50 FKAA COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@@H](c4ccccc4)N23)cc1 25586415 HMZHNFLAEYLLKZ-FUKBKCBYSA-N 374.871 5.276 0 50 FKAA Cc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)c2ccccn2)cc1 28292621 MZBIZHHEIIEVRR-UHFFFAOYSA-N 370.452 5.600 0 50 FKAA CCCC[B-]1(CCCC)N=C2C=CC(Cl)=CN2C(=O)N1c1ccccc1 169794664 VKOJRKBJPNHEFY-UHFFFAOYSA-N 370.713 6.020 0 50 FKAA Fc1ccc(CCNc2ncnc3sc(-c4ccccc4)cc23)cc1F 2325853778 BGFCIUJCTNVFCY-UHFFFAOYSA-N 367.424 5.291 0 50 FKAA c1ccc(-c2cc3c(NC[C@@H]4OCCc5ccccc54)ncnc3s2)cc1 2325853948 JANJWTOXALRWMP-IBGZPJMESA-N 373.481 5.084 0 50 FKAA Cc1cccn2c(NC(=O)c3ccc(Cl)cc3)c(-c3cccs3)nc12 624121 SEMVXHWZQXYVJZ-UHFFFAOYSA-N 367.861 5.277 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)COc1ccc(-c2ccccc2)cc1 951436 NYUBYVAEINFFOH-UHFFFAOYSA-N 351.833 5.333 0 50 FKAA Cc1cc(Br)c(Cl)cc1NC(=O)Cc1ccc(Cl)cc1 1135960 IQYBBVBOLWAQIV-UHFFFAOYSA-N 373.077 5.246 0 50 FKAA CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(Cl)cc1 1186586 VTUOKEBZBACTTH-UHFFFAOYSA-N 370.905 5.977 0 50 FKAA C[C@@H]1CC[C@H](C(C)(C)C)[C@@H](OC(=O)CSc2nc3ccccc3[nH]2)C1 1232360 QOZAFYMLPRLTRP-KEYYUXOJSA-N 360.523 5.049 0 50 FKAA Cc1cccc(OP(=O)(Nc2cccnc2)Oc2cccc(C)c2)c1 1859998 FSVDZKOGGAZCKR-UHFFFAOYSA-N 354.346 5.376 0 50 FKAA CCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCC)cc2)cc1 2166552 BHEHYAJMZZHYBM-UHFFFAOYSA-N 370.449 5.194 0 50 FKAA Nc1ccc2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)nc2c1 2173469 CXMBRBZDROMULM-UHFFFAOYSA-N 366.251 5.853 0 50 FKAA Cc1ccccc1-c1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2o1 2979688 DBOIXNOONWCYGI-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1-c1ccccc1 2999551 YOVLEGPMQRDPSK-UHFFFAOYSA-N 363.416 6.505 0 50 FKAA C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2(CCCCCC2)O1 4108208 QARNRQPSEMJMRH-CYBMUJFWSA-N 356.388 5.009 0 50 FKAA c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 5740237 RGCGDKCMNBABJS-HSZRJFAPSA-N 368.480 6.044 0 50 FKAA O=C(c1cc(C2CCCCC2)no1)N1CCC[C@H]1c1ccc(Cl)cc1 21790791 FIEHKOABQSEYQH-SFHVURJKSA-N 358.869 5.353 0 50 FKAA CCC[C@@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 25581539 SGRLWFXQKJWQHG-MJGOQNOKSA-N 356.853 5.018 0 50 FKAA Fc1ccc2nc([C@H]3CCCN3Cc3cc(C4CCCCC4)no3)[nH]c2c1 1506401613 FGBLEBNZHPKBBV-HXUWFJFHSA-N 368.456 5.075 0 50 FKAA O=C(Nc1cccc(Cl)c1)c1sc2cccc(Cl)c2c1Cl 625066 NHYZPZCZYDYDJP-UHFFFAOYSA-N 356.661 6.114 0 50 FKAA CCc1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 1133782 PIODFCVQLNIOJO-HAVVHWLPSA-N 357.453 5.437 0 50 FKAA Oc1ccccc1-c1nc(SCc2ccccc2)nc(-c2ccccc2)n1 2211022 VOUIIFDRWIEBBE-UHFFFAOYSA-N 371.465 5.204 0 50 FKAA COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 2858851 QUKHFUKHGZYKIH-UHFFFAOYSA-N 353.805 5.393 0 50 FKAA CC(C)(C)c1cc(NC(=O)c2sc3cccc(F)c3c2Cl)no1 12381601 YLFPYOJVBMEQJC-UHFFFAOYSA-N 352.818 5.232 0 50 FKAA CC(C)=CCCCC[C@@H](C)[C@]1(S(=O)(=O)c2ccccc2)C=CC(=O)CC1 45071639 BVAFROOEAGQLAN-KNQAVFIVSA-N 374.546 5.281 0 50 FKAA CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2C)cc1 248063882 FCRPJQOMWNSUII-ZCYQVOJMSA-N 368.480 5.800 0 50 FKAA C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)Nc1cccc(Cl)c1 1875305805 IUDOIVGADAKDOT-LJQANCHMSA-N 364.823 5.247 0 50 FKAA C[C@H](NC(=O)N[C@H](C)CCCc1cccnc1)c1cc2ccccc2s1 1875307555 QLHTUXDAYSQMKI-CVEARBPZSA-N 367.518 5.068 0 50 FKAA CCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2257220 YSABLNSRFKTIDA-UHFFFAOYSA-N 370.246 5.231 0 50 FKAA O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cccs1 2669395 FOIDSHRUWQYQQQ-UHFFFAOYSA-N 369.298 5.355 0 50 FKAA Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c(C)c1 4204851 YCDBVRAZYLXNPQ-UPVQGACJSA-N 354.453 5.546 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 4811776 VEKQAUPIYRKPFN-JTHBVZDNSA-N 374.871 5.891 0 50 FKAA CN1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2)C1 5698934 DOGYPPMIZGQYII-CVEARBPZSA-N 368.691 5.175 0 50 FKAA Cc1ccc(C2=NN3[C@H](c4ccc(C)cc4)Oc4ccccc4[C@H]3C2)cc1 12193140 OEVWYONPPNWYTA-VWNXMTODSA-N 354.453 5.546 0 50 FKAA Cc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)s1 19634704 JSGUKLDPENYQBE-HXUWFJFHSA-N 351.519 5.026 0 50 FKAA Cc1ccc(-c2cc(C(=O)O)cc(-c3ccc(Br)cc3)n2)cc1 328579018 ICPQORDGXVSODP-UHFFFAOYSA-N 368.230 5.185 0 50 FKAA CC(C)[C@@H](OC(=O)c1ccccc1C(=O)O)[C@@H](c1ccccc1)C(C)C 640343 CRQCSBYENVXPFS-WOJBJXKFSA-N 354.446 5.006 0 50 FKAA Cc1ccc(SCC(=O)Nc2ccc(Cl)c(Br)c2)cc1 1148331 HCIUPPUREALOMS-UHFFFAOYSA-N 370.699 5.142 0 50 FKAA O=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 1173444 FEHSHLRQJUXIIR-UHFFFAOYSA-N 360.034 5.147 0 50 FKAA Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C 2584269 GLFKFHJEFMLTOB-UHFFFAOYSA-N 360.341 6.331 0 50 FKAA CC(=O)[C@H](C(=O)c1ccccc1)[C@H]1c2ccccc2Oc2ccc(C)cc21 19853775 WJCDXMWCRHFOGU-GOTSBHOMSA-N 356.421 5.321 0 50 FKAA Clc1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1 95705282 CNJJVLLNTJDXEA-UHFFFAOYSA-N 367.839 6.165 0 50 FKAA Fc1ccc(N[C@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 135926078 FPJATBKJKFZJHN-KRWDZBQOSA-N 359.242 5.559 0 50 FKAA CCOC1=CC2=CC[C@@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 253499832 PFOMZLRVGKNKCE-ZAOLANORSA-N 370.533 5.555 0 50 FKAA biogenic Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)N[C@@H](C)c1ccc(F)cc1F 490376477 WDVMTAUSYGQGDV-MGPUTAFESA-N 360.448 5.373 0 50 FKAA O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccc1)c1ccccn1 630656 IICRGELEDGGGDE-UHFFFAOYSA-N 357.240 5.235 0 50 FKAA CCOC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 682308 VFCFQQNOECOJHP-UHFFFAOYSA-N 373.452 5.024 0 50 FKAA O=C(c1ccc(COc2cc(Cl)ccc2Cl)o1)N1CCCCCC1 1142570 DQDYJTVTXVFLDC-UHFFFAOYSA-N 368.260 5.182 0 50 FKAA CC(=O)[C@@H](C(=O)c1ccc(F)cc1)[C@H]1c2ccccc2Oc2ccc(C)cc21 1155882 PUSPTFVNSPKPLD-PKTZIBPZSA-N 374.411 5.460 0 50 FKAA Cc1ccccc1-c1nnc(NC(=O)Nc2ccc(C(C)(C)C)cc2)s1 1179259 DUKXESBQNJHICR-UHFFFAOYSA-N 366.490 5.455 0 50 FKAA COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC 1386783 DMWVGXGXHPOEPT-UHFFFAOYSA-N 373.412 5.183 0 50 FKAA in-vitro CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CCCC3 1836185 YPMDNTUIBGXTFO-UHFFFAOYSA-N 351.471 5.327 0 50 FKAA Clc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1Cl 2372118 OCAQLVJSHPAZEU-UHFFFAOYSA-N 350.274 5.621 0 50 FKAA CC(C)(C)c1ccc(OCCCCOc2ccc(C(C)(C)C)cc2)cc1 2875144 CUNDFHUIQQYZEA-UHFFFAOYSA-N 354.534 6.520 0 50 FKAA CC(=O)N1N=C(c2cccs2)OC1(C1CCCCC1)C1CCCCC1 4151817 NOMAVNYRQOFLHI-UHFFFAOYSA-N 360.523 5.145 0 50 FKAA CCN(CC)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c1 5065277 FXUSRDIQRSUMRI-UHFFFAOYSA-N 354.538 5.386 0 50 FKAA CCCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1C(C)C 6400335 QKMADQWGRATIKK-UHFFFAOYSA-N 372.563 5.536 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO 13737356 SQKRUBZPTNJQEM-AQNSPSBUSA-N 361.570 5.629 0 50 FKAA in-vitro COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[C@H]1CCCCO1 43762369 RWIMUWIOMDXNIY-IPJJNNNSSA-N 362.510 5.078 0 50 FKAA Cc1ccc(C)c(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1 55292383 KFNAGRQLJNKEHU-UHFFFAOYSA-N 356.513 5.293 0 50 FKAA CC[C@@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 918735974 FQCZQDHJAADEAG-IAGOWNOFSA-N 357.803 5.133 0 50 FKAA O=C(N=c1cc[nH]cc1-c1ccccc1)c1csc(C2CCCCC2)c1 2325840747 OHWTUWQEHTUILM-UHFFFAOYSA-N 362.498 5.532 0 50 FKAA Fc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccccc4)cc3n2)cc1 1150098 SPYTUTIXBNPFPP-UHFFFAOYSA-N 357.310 5.221 0 50 FKAA COc1cc(Cl)c(C)cc1NC(=O)CCCOc1ccc(C)cc1C 1914137 JSPVREPIQQOQOX-UHFFFAOYSA-N 361.869 5.072 0 50 FKAA Cc1ccc([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 2221706 JWFBTTCSHFQGJU-FQEVSTJZSA-N 361.422 6.149 0 50 FKAA C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CCC2=O 4977758 UIXFQXUDHNMOTI-KJWPAHLWSA-N 372.464 5.251 0 50 FKAA in-vitro Fc1ccc(N2N=C(/C=C\c3cccs3)C[C@H]2c2cccs2)cc1 32608614 NSXDZVXMMSWZQT-VOCYLRNQSA-N 354.475 5.970 0 50 FKAA CC(C)[C@@H](NC(=O)c1cccc2c1ccn2C(C)C)c1nc2ccccc2[nH]1 223238762 GKCZYQBYOLUALI-OAQYLSRUSA-N 374.488 5.226 0 50 FKAA CC[C@H](NC(=O)COCCCC(C)C)c1ccccc1-c1ccccc1 1875361371 XYBZPBGZRZHQKH-QFIPXVFZSA-N 353.506 5.374 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1 828366 CHLVKQBDVQGHAX-IERDGZPVSA-N 360.432 5.418 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O 1081469 SJQBHPJLLIJASD-UHFFFAOYSA-N 351.016 5.258 0 50 FKAA biogenic,in-vitro CCN(CC)c1ccc(-c2nnc(-c3ccc(N(CC)CC)cc3)o2)cc1 1995233 UZGVMZRBRRYLIP-UHFFFAOYSA-N 364.493 5.096 0 50 FKAA in-vitro Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccncc1)O2 5394912 AZJUQTDOIDJAGX-VQIMIIECSA-N 367.861 5.039 0 50 FKAA COc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccccc2C)oc1C 12431205 NUXRTNHGMSWESH-OAQYLSRUSA-N 362.473 5.304 0 50 FKAA CCOC(=O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 257349371 NROMSNOPHMXOQW-RTUCGJEGSA-N 362.554 5.368 0 50 FKAA O=C(Nc1ccc(F)cc1)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 1875305549 DXNNWIORPIUTKY-QGZVFWFLSA-N 366.358 5.604 0 50 FKAA O=c1n(Cc2ccc(C3CCCCC3)cc2)ccn1-c1cccc(Cl)c1 2325863643 QTVFSHXCEUCNEM-UHFFFAOYSA-N 366.892 5.388 0 50 FKAA O=C(O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1385509 SJNQUKBNTOPTMF-UHFFFAOYSA-N 350.226 5.482 0 50 FKAA CC(C)(C)OC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 2565976 GHBRKMLMVFKZKW-UHFFFAOYSA-N 366.455 6.268 0 50 FKAA in-vitro COc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)c(OC)c1 2857203 SBPVBRAJETXAFM-UHFFFAOYSA-N 364.470 5.180 0 50 FKAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 4651160 NWQARWPTYZKZFX-GAWOJFTKSA-N 369.549 5.184 0 50 FKAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=C(C)C[C@@H]32)C1 5232056 NELMHAIFXJZDST-CUKJZWFUSA-N 370.533 5.396 0 50 FKAA Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CCCCCC3)c2c1 6789011 SHBAFENOLWERHU-UHFFFAOYSA-N 372.512 5.843 0 50 FKAA COc1cccc([C@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)oc2C)c1 12373357 BTDCHVJUIHPVKI-AWEZNQCLSA-N 370.880 5.505 0 50 FKAA FC(F)c1cc(-c2cccs2)nc2c1c(C1CC1)nn2-c1ccccc1 13961008 NFUPDONGURRWDG-UHFFFAOYSA-N 367.424 5.964 0 50 FKAA Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)c4ccccc4)C3)c(C)o2)cc1 14968684 PZVDGWVHPJLFMF-OAQYLSRUSA-N 374.484 5.053 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 101099554 XXNRZZXPXAFYRJ-MNVNNWCQSA-N 357.497 5.328 0 50 FKAA Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)ccc1C(C)C 946947 NZGNKUWHVFQFGH-UHFFFAOYSA-N 351.368 5.155 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1 2142433 YNHFSEXKHDPCLD-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA CCCCc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1ccccc1)C2 3624994 JYPBCAWZNQNBBN-KRWDZBQOSA-N 362.448 5.267 0 50 FKAA Cc1ccc(C)c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 19832604 XKPWBFRCWHRMFO-UHFFFAOYSA-N 370.496 5.114 0 50 FKAA CC(C)=CCC/C(C)=C/c1c(-c2ccccc2)ncn1Cc1nnc(C)o1 65465481 BVOLWVCIMDBRRG-GHRIWEEISA-N 362.477 5.440 0 50 FKAA c1ccc(-c2ncn([C@@H](c3ccccc3)c3ccco3)c2-c2c[nH]cn2)cc1 67822144 YVGVGDJHSIRCOT-QFIPXVFZSA-N 366.424 5.171 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N[C@H](C)CO 169714045 SQKRUBZPTNJQEM-KYQFPDQKSA-N 361.570 5.629 0 50 FKAA O=C(Nc1ccc(Br)cn1)c1ccc(C2CCCCC2)cc1 1158655 OKXZWYNTENKFKV-UHFFFAOYSA-N 359.267 5.144 0 50 FKAA Cc1c(NC(=O)Cc2ccccc2)cccc1-c1nc2ccccc2s1 1216577 SBAPIEGDYYAICI-UHFFFAOYSA-N 358.466 5.453 0 50 FKAA CCOc1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1-c1ccccc1 5327577 FKZVUGQWNVRZEI-UHFFFAOYSA-N 373.883 6.863 0 50 FKAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(F)cc2)n1 20450636 FYJWPVVENINRFE-XMMPIXPASA-N 371.459 5.158 0 50 FKAA COc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1 100525632 WCOCSVMXXKDOMH-UHFFFAOYSA-N 372.424 5.134 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1C(F)(F)F 826642 ODILXTQDORQEFB-BXKDBHETSA-N 352.183 5.235 0 50 FKAA CC(C)(C)C(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 959520 XBHMYYDMMGKBPX-UHFFFAOYSA-N 366.244 5.197 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3ccccc3Br)ccc12 1096519 UYWIPGQLLJDGDM-UHFFFAOYSA-N 373.246 5.087 0 50 FKAA Cc1ccc(C)c(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 1768764 POCUUZQHASPIFR-UHFFFAOYSA-N 373.496 5.647 0 50 FKAA CCCCCCOc1ccc(C(=O)[C@@H](CC(=O)O)c2ccccc2)cc1 2546389 DNBKCVREKAPFQK-FQEVSTJZSA-N 354.446 5.087 0 50 FKAA Fc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 2784099 NMYMLEKDLJZMDL-UHFFFAOYSA-N 364.489 5.334 0 50 FKAA c1ccc(C2(c3ccccc3)O[C@H](c3ccccn3)Nc3ccccc32)cc1 4183967 JAMSIXIAJMHHSN-XMMPIXPASA-N 364.448 5.514 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4477926 AQYWHUJCPVLQLO-JFWNMISASA-N 371.524 5.414 0 50 FKAA Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 4812231 QYNJLGCBYWQOCY-IFMALSPDSA-N 360.844 5.582 0 50 FKAA CCn1c2ccccc2c2cc(CN3CCN(c4ccccc4)CC3)ccc21 55544048 AOHNWMLKNQDQLD-UHFFFAOYSA-N 369.512 5.137 0 50 FKAA CCn1cc(-c2cccc(C(=O)N(Cc3ccccc3)CC3CCC3)c2)cn1 299773507 DJSJDYSXWQHSCS-UHFFFAOYSA-N 373.500 5.013 0 50 FKAA Cc1cc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c(C)s1 647534 ZQLRQIBWPQUPTL-UHFFFAOYSA-N 362.248 5.041 0 50 FKAA COc1ccc(C2(C(=O)Nc3cccc(C(F)(F)F)c3)CCCC2)cc1 658288 OVPPQISQVSFKAO-UHFFFAOYSA-N 363.379 5.165 0 50 FKAA CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(N(C)C)cc2)cc1 710801 QJXQGCWPHDRUGB-HSZRJFAPSA-N 371.484 5.086 0 50 FKAA Cc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1 754625 PKOMTALTSGIOOU-UHFFFAOYSA-N 368.480 5.867 0 50 FKAA COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C1CC1 852632 JNIYOZNYPLVIKU-UHFFFAOYSA-N 363.529 5.206 0 50 FKAA COc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc2c1 939303 SVCOTXOCRLCQDH-UHFFFAOYSA-N 364.319 5.230 0 50 FKAA CCCCN(CCCC)C(=O)CCCOc1ccc(Cl)cc1Cl 2771342 MUPYEJLJMQQAIT-UHFFFAOYSA-N 360.325 5.581 0 50 FKAA Cc1ccc2cccc(OCCOCCOc3ccc(C(C)C)cc3)c2n1 13285147 UTLANOXSDPJQGF-UHFFFAOYSA-N 365.473 5.141 0 50 FKAA Cn1nc(C2CC2)c2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 13961009 JGJVBSNBDONXFD-UHFFFAOYSA-N 357.448 5.251 0 50 FKAA Brc1ccc2c(c1)Sc1cc(Br)ccc1N2 27903658 NVORBAXCWWFMSA-UHFFFAOYSA-N 357.070 5.420 0 50 FKAA Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C(F)(F)F)cc1C 55182895 UFVZGRCTYUQNRR-UHFFFAOYSA-N 359.395 5.002 0 50 FKAA FC(F)(F)c1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 57429439 ABYZUZQRUYXHCW-UHFFFAOYSA-N 364.314 5.533 0 50 FKAA in-vitro CC(=O)Nc1ccc(N[C@@H](C)c2csc(-c3ccccc3F)n2)cc1 462807984 ZGUKUSBJGNWDBG-LBPRGKRZSA-N 355.438 5.081 0 50 FKAA Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 1875256411 WVQMPDHFDPTDPS-JOCHJYFZSA-N 356.425 5.652 0 50 FKAA C[C@H](c1ccccc1)n1c(=O)n(CC2CCC(C)(C)CC2)c2ccccc21 1875343051 OGMIQUDHNKBTIQ-GOSISDBHSA-N 362.517 5.629 0 50 FKAA c1ccc(-c2cc3c(Oc4cccc5cccnc45)ncnc3s2)cc1 628411 PCENXCLCDMUPLL-UHFFFAOYSA-N 355.422 5.699 0 50 FKAA O=C(Nc1cccc2ccccc12)[C@@H]1CC1(c1ccccc1)c1ccccc1 1021087 FWUMPXWZKXZKHZ-QHCPKHFHSA-N 363.460 5.785 0 50 FKAA O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F 1190694 BLUVRZZIKHXIFY-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA COc1ccc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 1778186 PYQOBOWPVRQXKP-UHFFFAOYSA-N 369.505 5.740 0 50 FKAA Clc1ccc2nc(SCc3ccccc3)nc(-c3ccccc3)c2c1 2284693 WBQJEIYOZXZHKQ-UHFFFAOYSA-N 362.885 6.243 0 50 FKAA Cc1nc(-c2ccc(NC(=O)c3ccccc3Br)cc2)cs1 2954809 YCCQZILXGTZVHF-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA COc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 4952966 TYVQUKPICIJUKE-UHFFFAOYSA-N 352.437 5.838 0 50 FKAA CC[C@H](C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5337373 IVYBUKQFBOFYFZ-NRFANRHFSA-N 364.512 6.946 0 50 FKAA Cc1ccccc1Cn1ccc(NC(=S)Nc2cccc(Cl)c2C)n1 8571202 LXZNAXWRZSKVIX-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA Cc1ccc2nc(NC(=O)Nc3ccccc3Br)sc2c1 13745983 KOMSCLXLYRZLPG-UHFFFAOYSA-N 362.252 5.011 0 50 FKAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc21 20615639 PTRUCFDOTPQJTI-UHFFFAOYSA-N 353.775 5.489 0 50 FKAA O=C(O)c1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 948692 ZCDRYNJQXOYCFP-UHFFFAOYSA-N 365.241 5.559 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(COc2ccccc2)cc1 1140865 QYBQNBYRCXATIR-UHFFFAOYSA-N 371.358 5.537 0 50 FKAA Cc1ccccc1OCC(=O)Nc1ccc(CSc2ccccc2)cc1 1157653 MTBXHFJMTYOIRP-UHFFFAOYSA-N 363.482 5.305 0 50 FKAA Cc1nn2c(C(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl 2786896 JPZXWARLVJEQIL-UHFFFAOYSA-N 372.600 5.058 0 50 FKAA O=C(CSc1nc2ccccc2[nH]1)c1ccc2c(c1)Cc1ccccc1-2 2870155 DFPHXELRSHDCND-UHFFFAOYSA-N 356.450 5.109 0 50 FKAA CC1(C)C[C@](CCNCc2ccc(F)cc2)(Cc2ccccc2)CCO1 3903495 IZRHCTRCYUGXAD-QHCPKHFHSA-N 355.497 5.124 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1-c1ccccc1 13329698 KNFJKIKVZWKIDL-UHFFFAOYSA-N 354.409 5.569 0 50 FKAA CCOc1ccccc1CN(Cc1ccc([C@@H]2CCCCO2)o1)C1CC1 55269755 HVYIOPFANOLIRK-NRFANRHFSA-N 355.478 5.085 0 50 FKAA Cn1c[n+](Cc2ccc(Oc3cccc(Cl)c3Cl)cc2)cc1Cl 170644069 CKJPWPQIJJKSQM-UHFFFAOYSA-N 368.671 5.113 0 50 FKAA Cc1ccc(NC(=O)CCC(=O)c2ccc(Oc3ccccc3)cc2)cc1 632006 OOPPVXNKBWCUPF-UHFFFAOYSA-N 359.425 5.389 0 50 FKAA CC[C@H](C)c1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 947764 JYQMDNNOGBVOCI-ZDUSSCGKSA-N 368.864 6.069 0 50 FKAA O=C1C[C@H](c2ccc(F)c(Br)c2)c2ccc3ccccc3c2N1 1082722 KLTSOZMFEYXEEJ-OAHLLOKOSA-N 370.221 5.216 0 50 FKAA CSc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 1109420 NTHUFPVDNYUNBX-UHFFFAOYSA-N 373.861 5.486 0 50 FKAA CCCCc1cc(=O)oc2c(C)c(OCc3ccc(OC)cc3)ccc12 2119361 ANEPCOKFWBOYHJ-UHFFFAOYSA-N 352.430 5.032 0 50 FKAA biogenic O=Cc1cn(-c2ccc(F)cc2F)nc1-c1cc(F)c(Cl)cc1Cl 2541806 UHVWYQFCFNADGJ-UHFFFAOYSA-N 371.145 5.076 0 50 FKAA CCn1c2ccccc2c2cc(CNC34CC5CC(CC(C5)C3)C4)ccc21 4124096 IUJKKRUVOOZXBL-UHFFFAOYSA-N 358.529 5.873 0 50 FKAA CC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 4612817 KIXGFZRPUASEFM-KEVKATSASA-N 371.524 5.462 0 50 FKAA Cc1nn2cc(-c3ccc(Cl)c(Cl)c3)cc2c2c(C)n(C)c(C)c12 4751631 PSPGMOBAVRLTDU-UHFFFAOYSA-N 358.272 5.725 0 50 FKAA O[C@@H](c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 4797780 MMSXADIHFXZOHH-ZDUSSCGKSA-N 354.677 5.459 0 50 FKAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)c1 25781735 ZVDHPVGJVCEQRS-LADGPHEKSA-N 370.452 5.246 0 50 FKAA c1ccc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc1 148579216 DOTSEUKJBPAPGG-UHFFFAOYSA-N 371.483 7.917 0 50 FKAA in-vitro COC(=O)NCc1ccc(NCc2ccc(-c3cccc(F)c3)s2)cc1 237276520 LNBBEEWWQGAUPS-UHFFFAOYSA-N 370.449 5.022 0 50 FKAA CC(C)Cc1ccc([C@H](NCc2noc(C3CCCCC3)n2)C(C)C)cc1 1875356162 HWPVHALLNWHNJT-JOCHJYFZSA-N 369.553 5.803 0 50 FKAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 755351 CFZXBMYDDZSMDM-UHFFFAOYSA-N 370.408 5.246 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc2ccccc2o1 839022 BVLDENWHBDPAFK-UHFFFAOYSA-N 354.365 5.493 0 50 FKAA O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccco1 908374 LRFPPBLXTQZUQC-UHFFFAOYSA-N 354.818 5.462 0 50 FKAA CCc1cccc(C)c1NC(=O)CSCc1c(Cl)cccc1Cl 1127594 KWDBKJBAJMHMGI-UHFFFAOYSA-N 368.329 5.736 0 50 FKAA Cc1cc(OCC(=O)Nc2ccccc2-c2ccccc2)ccc1Cl 1179311 TUTLRBWLDFFCLB-UHFFFAOYSA-N 351.833 5.333 0 50 FKAA COc1ccc(-c2cc(-c3ccccc3)nc(N3CCC(C)CC3)n2)cc1 1188601 RKWPVVBJAUFXDD-UHFFFAOYSA-N 359.473 5.056 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 2879180 CILLZSLKBYJQEO-UHFFFAOYSA-N 361.510 6.156 0 50 FKAA COc1cc2c(cc1NC(=O)c1ccccc1SC)oc1ccccc12 3567005 AIYMMHNQUAXUBJ-UHFFFAOYSA-N 363.438 5.569 0 50 FKAA CCCCCC[C@H](C)Nc1ccc(N[C@@H](C)CCCN(CC)CC)cc1 4552241 GFVQYDVMTCAVFN-SFTDATJTSA-N 361.618 6.380 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)CCC2 7802140 KAIMRLGFSDMRRF-UHFFFAOYSA-N 352.821 5.044 0 50 FKAA Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccccc3)ccc12 755718 CLCJTLFNQXCCMJ-UHFFFAOYSA-N 364.857 5.430 0 50 FKAA CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccccc1 1072752 ATTOFKNISWBFSI-UHFFFAOYSA-N 369.530 5.072 0 50 FKAA Cn1c(Oc2cc(Cl)c(Cl)cc2Cl)c(C=O)c2ccccc21 2243955 RKZBUKNCUWKOSC-UHFFFAOYSA-N 354.620 5.743 0 50 FKAA CCCCCC(=O)c1ccc(-c2ccc(C(=O)CCCCC)s2)s1 2519524 ZAHMOLDQQGUCQE-UHFFFAOYSA-N 362.560 7.003 0 50 FKAA CCNc1ccccc1C(=O)O[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1 2751297 FXEPJWLVYMTNJX-HSZRJFAPSA-N 373.452 5.208 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)NC1CCCCC1 2872228 YLBMAIMBRZONSS-UHFFFAOYSA-N 371.868 5.047 0 50 FKAA Cc1cc(C)c(C)c(OCCCCCCOc2cc(C)cc(C)c2C)c1 2880581 UEXXTIAJJKNJBY-UHFFFAOYSA-N 354.534 6.555 0 50 FKAA Cc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C 5583787 FFAZSEDZKZUJFQ-UHFFFAOYSA-N 372.428 5.145 0 50 FKAA aggregator CC(C)C[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN12 5908376 RWHXWHXPTJXOFU-ICSRJNTNSA-N 358.844 5.395 0 50 FKAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 43763826 RPKLZQLYODPWTM-XTTTXAKASA-N 360.582 6.536 0 50 FKAA Cc1ccc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3C)cc2)nn1 67621103 YSYUOGAHKVCTRF-UHFFFAOYSA-N 367.840 5.134 0 50 FKAA Brc1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1 139174733 XCGVNJBBWRPIPZ-UHFFFAOYSA-N 359.266 6.936 0 50 FKAA CO[C@H](CN[C@@H](C)c1ccc(Cl)c2ccccc12)Cc1ccccc1 2325870461 YRUJXHFXIHNPQP-WMZOPIPTSA-N 353.893 5.402 0 50 FKAA O=C(c1cccc(COc2ccc3ccccc3c2)c1)N1CCCCCC1 673175 IBNUYNOKNKOFHT-UHFFFAOYSA-N 359.469 5.435 0 50 FKAA O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(OC2CCCC2)cc1 1002824 CCWFXFLFOKZRNQ-UHFFFAOYSA-N 371.506 5.160 0 50 FKAA COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 1084423 FVHRLOLAMKPUIZ-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 2169630 UWSMKYBKUPAEJQ-UHFFFAOYSA-N 357.885 5.375 0 50 FKAA endogenous,in-man Fc1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 2523545 YOKUKCPTNXIFCX-UHFFFAOYSA-N 367.474 5.427 0 50 FKAA Cn1c(SCc2c(F)cccc2Cl)nnc1-c1c[nH]c2ccccc12 2877557 XZOCOFXJJIJOQA-UHFFFAOYSA-N 372.856 5.048 0 50 FKAA COc1cccc(OC)c1OCCCCOc1cc(Cl)ccc1Cl 2986826 UQHMDELMVICSRX-UHFFFAOYSA-N 371.260 5.249 0 50 FKAA C[C@@H](CCc1ccc(O)cc1)NCCC(c1ccccc1)c1ccccc1 4989496 PYSQGUGELWTMPU-FQEVSTJZSA-N 359.513 5.525 0 50 FKAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 95366957 PNBVNDHOEOTPCC-JOCHJYFZSA-N 373.500 5.151 0 50 FKAA COc1ccc([C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)c2ccccc2)cc1 633220 MMYNWUYBPRBIRS-DNQXCXABSA-N 373.496 5.341 0 50 FKAA Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)c(Cl)c1 951485 DLKINZGJPCXGPF-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 989586 QZBWICJWJOHWNP-UHFFFAOYSA-N 356.425 5.672 0 50 FKAA O=C(NCCc1ccccc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 1117201 HQGYRIGIOBTARH-UHFFFAOYSA-N 360.240 5.226 0 50 FKAA CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(F)cc1 1185830 DERBAZKABSNPGC-UHFFFAOYSA-N 358.413 5.293 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(Cl)cc1 1186207 MYFPCIQAVFYADT-UHFFFAOYSA-N 370.905 5.977 0 50 FKAA Cc1ccc(-c2nc3cc(NCc4ccc5c(c4)OCO5)ccc3o2)cc1 1437072 JNOIJBSFJDSCOU-UHFFFAOYSA-N 358.397 5.144 0 50 FKAA O=C(c1ccccc1)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 1594434 QMZVTWNMOMODGC-SANMLTNESA-N 362.472 6.485 0 50 FKAA CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 2813467 QTLCXYLPFAZVRP-RGEXLXHISA-N 367.470 5.102 0 50 FKAA CCOc1ccccc1OCCCCOc1c(Cl)cc(C)cc1Cl 2984813 NVAKLRHVDRHAPU-UHFFFAOYSA-N 369.288 5.939 0 50 FKAA COc1ccccc1[C@H](CCNCc1ccccc1)[C@H]1CCOC(C)(C)C1 4027685 HWUFYAOJZSCVJE-LEWJYISDSA-N 367.533 5.164 0 50 FKAA biogenic CC(C)(C)c1cc(-c2ccc(Br)cc2)cc(C(C)(C)C)[s+]1 5284232 PFNUCFRVHUJPNO-UHFFFAOYSA-N 364.372 7.054 0 50 FKAA CC[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 17073146 GJGHVRZACOEZSL-INIZCTEOSA-N 353.318 5.740 0 50 FKAA c1ccc(C2CCC(N3CCN4CCC[C@@H]4[C@H]3C3CCCCC3)CC2)cc1 22078502 FMVHYYDTTWYONL-QYYDGCESSA-N 366.593 5.442 0 50 FKAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc2sc(C)nc2c1 952966850 GBUCXPRAXDTWGA-GOSISDBHSA-N 353.491 5.003 0 50 FKAA O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3F)[C@@H]12 841636 ZZVXVMRMJNDKKA-DENIHFKCSA-N 359.425 5.606 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cs1)C1=C(Cl)[C@H]2C=CC=C[C@H]2S1 1213884 IZAQKOAALSBBIY-GXTWGEPZSA-N 372.902 5.057 0 50 FKAA Cc1cccc2c(C(=O)N(C)C3CCCCC3)cc(-c3cccnc3)nc12 1460005 XJVSQAJIIMFDLX-UHFFFAOYSA-N 359.473 5.010 0 50 FKAA CCOc1ccc(OCCCOc2ccc(C)cc2Br)cc1 2984340 SJEDJCVNVHEQCQ-UHFFFAOYSA-N 365.267 5.004 0 50 FKAA COc1ccc(Cl)cc1NC(=O)c1cccc(OCc2ccccc2)c1 2998395 SRQQXSUDDCVERL-UHFFFAOYSA-N 367.832 5.180 0 50 FKAA Cc1ccc(NC(=O)Nc2nnc(/C=C/c3ccccc3Cl)s2)cc1 8838050 WLRDXJUPRDIXGF-DHZHZOJOSA-N 370.865 5.314 0 50 FKAA O=C(c1ccc(F)cc1)c1ccc(Oc2ncncc2-c2ccccc2)cc1 432157810 ZCWQYLRYWOUDFS-UHFFFAOYSA-N 370.383 5.306 0 50 FKAA CCc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 641268 ATKKQXPQZANVGA-UHFFFAOYSA-N 358.652 5.227 0 50 FKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1131554 RHUZJHFPUMKZSB-NSHDSACASA-N 373.827 5.787 0 50 FKAA Cc1ccc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)cc1 1172856 NKFZRNWMHLPTQK-UHFFFAOYSA-N 360.438 5.631 0 50 FKAA CCOc1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 1216081 HRLSUIQOMRUGOX-UHFFFAOYSA-N 370.301 5.264 0 50 FKAA COc1ccc([C@H](CCNC[C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 4029641 FWQXNBIMBQJMNO-AUSIDOKSSA-N 367.533 5.012 0 50 FKAA biogenic O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1cccc(Cl)c1 4542174 ZNGUIEACKIJWMH-PKNBQFBNSA-N 358.224 5.905 0 50 FKAA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1 4854155 UUUKYIJBFLBCNO-LJQANCHMSA-N 368.864 5.162 0 50 FKAA Fc1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 5996937 NUQUXIAZOIIESY-UHFFFAOYSA-N 354.237 5.210 0 50 FKAA Cc1oc(-c2ccsc2)nc1CN(C)Cc1cccc(C(F)(F)F)c1 14959365 LLLVPZZHUKZTSE-UHFFFAOYSA-N 366.408 5.362 0 50 FKAA Cc1ccc2c(C)c(C(=O)Nc3nc(-c4ccc(C)s4)ns3)oc2c1 21806060 SMRQRWTXKSSREP-UHFFFAOYSA-N 369.471 5.190 0 50 FKAA Cc1ccc([C@@H](C)n2cnc(-c3ccccc3)c2-c2cccc(O)c2)nc1 65376550 WDJHKJHQYRULQY-QGZVFWFLSA-N 355.441 5.235 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO 96024566 XZURZCGSKALDLA-JLNKQSITSA-N 373.581 5.797 0 50 FKAA in-vitro C[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)Cc1ccccc1 245254044 YRMXCILLNZAXNX-QSWKYWCCSA-N 371.524 5.318 0 50 FKAA Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 1857525344 ARYVICLZGFZHAR-LCMDDMADSA-N 368.565 5.207 0 50 FKAA COc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1 706940 RRPKQHIGDHDBFW-UHFFFAOYSA-N 354.711 5.141 0 50 FKAA COc1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 1770447 SRKILELQAJMGPB-UHFFFAOYSA-N 361.832 5.702 0 50 FKAA CCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 2175472 KWZKYMCYPAYUMC-JOCHJYFZSA-N 358.441 5.247 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(OC(C)C)cc3)nc12 2526043 LIYZBRINYMXEMK-UHFFFAOYSA-N 355.821 5.349 0 50 FKAA O=C(COc1cc(Cl)ccc1Cl)Nc1ccccc1C(F)(F)F 2596070 UTQSRLYIXUQQMH-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA O=C(/C=C/c1cc(-c2ccccc2)cs1)Nc1ccccc1C(F)(F)F 4542076 XADLDPLXQOJAMS-ZHACJKMWSA-N 373.399 6.086 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1cccs1 4844520 BYWGDRGGEFFLMQ-OXJNMPFZSA-N 362.498 5.269 0 50 FKAA Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccco4)CC3)cc2)c1 12702380 GYIDEUFGJAYGST-UHFFFAOYSA-N 374.484 5.106 0 50 FKAA COC(=O)CCCCCCCCCCCCCCCCCCC(=O)O 39248688 JFTSFGWNTQTGKX-UHFFFAOYSA-N 356.547 6.266 0 50 FKAA O=C(Cc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1Cl 52537287 JPYMXBSGPHWDKR-UHFFFAOYSA-N 368.569 5.486 0 50 FKAA COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc2ccccc12 103030115 GEPYGDSDXRTPJA-KDSXSNECSA-N 374.480 6.003 0 50 FKAA Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 137222115 NIRXBXIPHUTNNI-UHFFFAOYSA-N 367.387 5.255 0 50 FKAA Cc1ncc(CNc2ccc(CCC(F)(F)F)cc2)n1-c1ccccc1 237792551 DITGMCLEIXIPSN-UHFFFAOYSA-N 359.395 5.288 0 50 FKAA Cc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1Cl 2325878987 DKPPCPZLNMBMHO-UHFFFAOYSA-N 366.269 5.256 0 50 FKAA COc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 707637 ZWZSVXAWIVNOFQ-UHFFFAOYSA-N 361.832 5.263 0 50 FKAA CCCn1c([C@@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 860988 VRAYNQLOCKBAFR-QHCPKHFHSA-N 372.468 5.107 0 50 FKAA Cc1ccc(-c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 945325 MRHBRNBLMQDTTG-UHFFFAOYSA-N 365.860 5.641 0 50 FKAA O=C(/C=C/c1cccc2ccccc12)Nc1ccc(Br)cc1 1172528 NVMPJMJIJRHPFF-MDWZMJQESA-N 352.231 5.254 0 50 FKAA Cc1c(C(=O)OC2CCCCCC2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 1461209 YUZFTDGOGGFXAI-CQSZACIVSA-N 371.502 5.177 0 50 FKAA Clc1ccc(CSCc2cc(Cl)nc(-c3ccccc3)n2)cc1 2571524 SVLGWAUBMFMJJQ-UHFFFAOYSA-N 361.297 5.884 0 50 FKAA c1ccc(Oc2cccc(OCCCCSc3ncccn3)c2)cc1 2844494 XAIZFLSDVFNJCA-UHFFFAOYSA-N 352.459 5.220 0 50 FKAA Clc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc1 2860468 OVJPYYVDXQKVNO-UHFFFAOYSA-N 356.665 5.909 0 50 FKAA O=C(Nc1ccc(F)c(Cl)c1)N1CCCCC[C@H]1c1cccs1 15867026 KXXCGWWPNDHHME-HNNXBMFYSA-N 352.862 5.690 0 50 FKAA Cc1cc(-c2c(-c3ccccc3)ncn2[C@H](CC(C)C)c2cccnc2)n[nH]1 67676790 CQUXHEGAHYNUKT-OAQYLSRUSA-N 371.488 5.279 0 50 FKAA CC(C)c1ccc([C@H]2CCCCN2Cc2cn3c(n2)CCCCC3)cc1 1875357728 USBDGFAOONSCRA-JOCHJYFZSA-N 351.538 5.460 0 50 FKAA COC(=O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 809293 HVQXSGZSESIUTJ-UHFFFAOYSA-N 354.409 5.197 0 50 FKAA CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3)c(C)s2)c1 1059039 JQLPLDCOLBFNJH-UHFFFAOYSA-N 374.918 5.746 0 50 FKAA Cc1ccccc1NC(=O)C[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 1130261 PUNFMXCECALKEK-LEWJYISDSA-N 365.517 5.388 0 50 FKAA CC(C)(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 1136665 UKGGFFREGRMAMA-UHFFFAOYSA-N 352.261 5.308 0 50 FKAA Cc1c(NC(=O)c2cccc(Cl)c2)cccc1-c1nc2ncccc2o1 1204192 NTZUJUKDXIVGMJ-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)N3CCCC[C@H]3C)c2C)c1 1460281 KXHLFYKKBBSNKR-GOSISDBHSA-N 372.512 5.842 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)Nc1c(Cl)cccc1Cl 2142492 QJZDDGYCMIWUSK-UHFFFAOYSA-N 365.304 6.884 0 50 FKAA CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 4776811 ASFCGJHTUUJCHU-UHFFFAOYSA-N 362.429 5.164 0 50 FKAA COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 4838108 OANJJFBYKTXYDI-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)cc1 25781666 FCRPJQOMWNSUII-ILBGXUMGSA-N 368.480 5.800 0 50 FKAA CCCCCn1cc(C(=O)Oc2ccnc3ccccc23)c2ccccc21 95726724 SPDKRXJQAMKXNU-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro Cc1noc(C)c1[C@@H](C)CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 153623936 YRAZCIYEHBZYKV-VBKZILBWSA-N 365.477 5.020 0 50 FKAA O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N1CCCCCCC1 426535868 MBITUMNTNUWJEM-UHFFFAOYSA-N 362.395 5.174 0 50 FKAA CSc1ccc2c(C)cc(NC[C@@H](c3cccs3)N(C)C)nc2c1 1704349504 IISUZGUWFKRKMG-KRWDZBQOSA-N 357.548 5.041 0 50 FKAA O=c1oc2cc(OCc3ccccc3Cl)c(Cl)cc2c2c1CCC2 622156 KWWSMNOXDNSNKO-UHFFFAOYSA-N 361.224 5.168 0 50 FKAA O=C(Nc1cccc(Cl)c1)Oc1ccc(C(=O)c2ccccc2)cc1 641042 FBPVESALZKPUIZ-UHFFFAOYSA-N 351.789 5.182 0 50 FKAA O=C(Nc1ccc(Br)cc1)Oc1ccc(-c2ccccc2)cc1 641606 RVVMVVGUCLRWAO-UHFFFAOYSA-N 368.230 5.727 0 50 FKAA Cc1ccc2sc(-c3ccc(NC(=O)COc4ccccc4)cc3)nc2c1 846608 LSBVTHVBQIEQTB-UHFFFAOYSA-N 374.465 5.289 0 50 FKAA COc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 1110387 XZXXQJBIVIOGNK-UHFFFAOYSA-N 350.443 5.296 0 50 FKAA O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 1153319 YLVCLLKNUXWBCT-VQHVLOKHSA-N 364.788 5.393 0 50 FKAA Cc1ccc2oc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 1176677 RHYPCRQZLMAAPW-UHFFFAOYSA-N 369.635 5.112 0 50 FKAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1179366 ZJHJMXVKFFYKOW-UHFFFAOYSA-N 373.758 5.035 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3O)nc2c1 1207148 NBTYCGZTJROGFU-XYOKQWHBSA-N 370.408 5.161 0 50 FKAA Cc1ccc([C@@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)s1 1209136 DTUQUOAEJNCWIJ-CYBMUJFWSA-N 372.287 5.446 0 50 FKAA CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc21 2057316 UODBHJHLEHHAKD-UHFFFAOYSA-N 369.464 6.180 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)N(C1CCCCC1)C1CCCCC1 2163946 NGLRHMGCGNVKEX-UHFFFAOYSA-N 369.336 6.493 0 50 FKAA C1=C(c2ccccc2)NN=C2SC=C(c3ccc(-c4ccccc4)cc3)N12 2273689 FLQUMVAOTNFLIB-UHFFFAOYSA-N 367.477 5.574 0 50 FKAA Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1C 2842115 AHXDTNCQGVQHNT-UHFFFAOYSA-N 358.466 5.832 0 50 FKAA O=c1oc2cc(OCc3c(F)cccc3Cl)ccc2c2c1CCCC2 4837429 KZUZZXPLASRMAW-UHFFFAOYSA-N 358.796 5.043 0 50 FKAA COc1cc2c(cc1NC(=O)Nc1ccccc1Cl)oc1ccccc12 4997402 KTQLRKCSZAKORQ-UHFFFAOYSA-N 366.804 5.892 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)N3CCCC3)cc(-c3ccccc3)nc12 6527089 IMHIDGPJGCVRKR-UHFFFAOYSA-N 350.849 5.100 0 50 FKAA CN(Cc1ccsc1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 12198666 VWEFRWBJYVZFFS-UHFFFAOYSA-N 354.475 5.209 0 50 FKAA Cc1ccc(C(=O)N(Cc2ccc(OCC3CCC3)cc2)C2CC2)s1 14981135 ICIVFOAGGYSXHL-UHFFFAOYSA-N 355.503 5.040 0 50 FKAA CSc1ccc2c(c1)CCN(C(=O)c1[nH]c3c(C)cc(C)cc3c1C)C2 91434433 IXLCQWDKIBHQNW-UHFFFAOYSA-N 364.514 5.014 0 50 FKAA C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)Cc1ccccc1 245254045 YRMXCILLNZAXNX-TYNUAKKSSA-N 371.524 5.318 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2ccccc2)cc1 1190924 ATJCAMKRTOHVBQ-UHFFFAOYSA-N 353.874 5.738 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc2ccccc2c1 1210822 XKCKZCQGIZBBQP-UHFFFAOYSA-N 364.404 5.900 0 50 FKAA Cc1cccc(Cl)c1NC(=O)OCCOc1ccc(Cl)cc1Cl 2171800 AEBHEGAQKRNTJH-UHFFFAOYSA-N 374.651 5.583 0 50 FKAA CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1[C@@H](C)CC 5337367 QFSPYTBQZVTOJV-SFHVURJKSA-N 360.477 5.456 0 50 FKAA CC[C@H](NC(=O)Nc1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 20573088 AGULWPDRDWMKCI-HLJROMEYSA-N 364.892 5.596 0 50 FKAA CC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-c2ccccc2N(C)C)cc1 426697615 YCDNLDAEYXVXEL-JOCHJYFZSA-N 373.500 5.038 0 50 FKAA COc1cccc(-n2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)c1 855965 CGFQXVXJTBCBNY-UHFFFAOYSA-N 368.527 5.913 0 50 FKAA O=C(Nc1ccccc1Sc1ccccc1)c1cc(Cl)ccc1Cl 2875395 JCMADMRSXVZXTB-UHFFFAOYSA-N 374.292 6.397 0 50 FKAA C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 20550547 LXGXJCINVAMEDU-UZNLNLPZSA-N 350.865 5.206 0 50 FKAA CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](N)(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 263621518 KAASKSVTHCKDCH-NTXWSFRISA-N 373.518 6.008 0 50 FKAA Fc1ccc(Cn2c(-c3ccccc3F)nc3ccccc32)c(Cl)c1 953063139 ZULXACONPTVMDM-UHFFFAOYSA-N 354.787 5.683 0 50 FKAA CCC[C@H](N[C@H]1[C@H]2NCCCC[C@H]21)c1ccc(Oc2ccccc2)cc1 2325822281 NYUHMUHABUFOKY-WZYRSQIMSA-N 350.506 5.050 0 50 FKAA CCCOc1cccc2c(N3CCC=C(c4cccc(O)c4)C3)ccnc12 2325852604 MJDQAQFBQPUHGA-UHFFFAOYSA-N 360.457 5.023 0 50 FKAA Cc1ccc(-c2nc(NC(=O)COc3ccc(C)c(C)c3)sc2C)cc1 947342 BUDRJVQIZSUVTC-UHFFFAOYSA-N 366.486 5.061 0 50 FKAA Cc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc2c1 1050095 UXMDZOGRPCNVCE-UHFFFAOYSA-N 366.269 5.256 0 50 FKAA Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 1145478 OQUGMTHNSGMLMR-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA aggregator Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccc(Cl)cc1 1329961 ILNYCKCTCLNFRE-UHFFFAOYSA-N 370.861 5.215 0 50 FKAA O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1c(Cl)cccc1Cl 1382559 NDSHXNGBERLBDL-UHFFFAOYSA-N 350.632 5.873 0 50 FKAA C[C@H](NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccccc1 1768774 ZXAAGXRBSQHFGY-IBGZPJMESA-N 373.496 5.269 0 50 FKAA CC[C@H]1CC[C@H](CC)P1c1ccccc1P1[C@@H](CC)CC[C@@H]1CC 2512182 GVVCHDNSTMEUCS-MUGJNUQGSA-N 362.478 6.603 0 50 FKAA in-vitro CC[C@@H](C)NCCCCOc1ccc2ccccc2c1Br 2821828 PLSZHHGOGFZSJZ-CQSZACIVSA-N 350.300 5.149 0 50 FKAA Cc1ccc2cccc(OCCCOc3ccccc3OC(C)C)c2n1 2825168 GSSHXWTVRACWTL-UHFFFAOYSA-N 351.446 5.178 0 50 FKAA COc1ccc([C@H](CC(=O)c2ccccc2)Nc2cccc(Cl)c2)cc1 2840293 XRXTZJAJTMOSRF-NRFANRHFSA-N 365.860 5.775 0 50 FKAA O=C(Nc1ccccc1)c1ccccc1OCc1cccc2ccccc12 2861148 ISNUWOFQRFJECZ-UHFFFAOYSA-N 353.421 5.671 0 50 FKAA COc1ccc(-c2ccccc2)cc1NCc1ccccc1Br 2894026 ABTPHJJZOATXLS-UHFFFAOYSA-N 368.274 5.737 0 50 FKAA CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 2994506 WGTCQGBOBVGZKE-UHFFFAOYSA-N 372.424 5.536 0 50 FKAA Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1 4521490 YWFPGFJLYRKYJZ-UHFFFAOYSA-N 350.417 5.461 0 50 FKAA biogenic,in-vitro O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(F)c(F)c1 18169257 HUTJDNKQNPCLFE-UHFFFAOYSA-N 366.392 5.494 0 50 FKAA Cc1cccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(F)cc2)n1 20599233 UMKPNNFGOCHTHF-XMMPIXPASA-N 371.459 5.158 0 50 FKAA Cc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 25764042 CZXUJHYQXDLEKT-GMAHTHKFSA-N 358.416 5.376 0 50 FKAA CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 56961629 HTJWUNNIRKDDIV-UHFFFAOYSA-N 358.550 7.206 0 50 FKAA C[C@@H](F)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746279 NFOQHRRYZIBSNW-QGZVFWFLSA-N 359.444 6.164 0 50 FKAA in-vitro COc1cc(CN2CCC[C@@H]3CCCC[C@H]32)ccc1OCc1ccccc1 229911893 IHNCFNGQGGJKIM-FCHUYYIVSA-N 365.517 5.429 0 50 FKAA Cc1coc(-c2nc(-c3ccc(Oc4ccccc4F)c(F)c3)no2)c1 1875335917 LPWBJKGLWQFLRN-UHFFFAOYSA-N 354.312 5.376 0 50 FKAA CC(=O)c1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12 758188 ZYHYMBMOOYOANA-UHFFFAOYSA-N 365.436 5.207 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 1004050 KGNNADCFTQXQNS-UHFFFAOYSA-N 371.868 5.047 0 50 FKAA CCCCOCCOC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 2983348 MPOCNWGSLAFHGS-UHFFFAOYSA-N 363.457 5.184 0 50 FKAA Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c(C)c1 8830281 ODTZZGNKAXMTLT-UHFFFAOYSA-N 350.940 5.036 0 50 FKAA Fc1ccccc1-c1c[nH]nc1[C@H]1CCCN(CCCc2ccccc2)C1 14986441 KXPDNPLEAOZGFQ-IBGZPJMESA-N 363.480 5.028 0 50 FKAA Cc1ccc(-c2cccc(NC(=O)N(C)CCC[C@@H]3CCCO3)c2)cc1 97819452 JRFHZDNYXSJMEQ-OAQYLSRUSA-N 352.478 5.085 0 50 FKAA COc1ccccc1-c1cccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c1 223464220 FPCKNXOMXNSWPY-NRFANRHFSA-N 361.416 5.089 0 50 FKAA S=C(Nc1ccccc1)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 252498469 RCTHFMGDJXCMOO-MRXNPFEDSA-N 369.540 5.358 0 50 FKAA CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 674879 JXBOVMFKTTZQGN-UHFFFAOYSA-N 374.412 5.128 0 50 FKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 1111663 FPAGTAVTZQWLAZ-ZDUSSCGKSA-N 364.308 5.185 0 50 FKAA CCc1ccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)cc1 1147541 ANGYYZPOAHEEBQ-RSMFLLDRSA-N 367.492 5.875 0 50 FKAA COc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)c3ccccc3n2)cc1 1171233 GOFFJHYMIDYLCX-UHFFFAOYSA-N 373.383 5.269 0 50 FKAA Clc1ccc(-c2csc3ncnc(SCc4ccco4)c23)cc1 1803374 XCARLWAHOQRJQA-UHFFFAOYSA-N 358.875 5.897 0 50 FKAA CCCCOc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl 2811945 SLXMIAUNTBAAEG-UHFFFAOYSA-N 356.849 5.525 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccs1 2856109 SNHOOVSIFIEGQI-UHFFFAOYSA-N 370.886 5.931 0 50 FKAA CCCc1c2c(cc(-c3ccccc3)[n+]1CCCCCC(=O)O)CCCC2 3130473 RFCQIHUBENVTQW-UHFFFAOYSA-O 366.525 5.117 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccco1 4498916 CSHHKOJCPNRDGU-BEFIOADNSA-N 358.441 5.271 0 50 FKAA O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccnc1Nc1cccc(F)c1 252679376 LOCPPKKXKIVNSU-JTDSTZFVSA-N 367.468 5.053 0 50 FKAA CC[C@H](C)N1C(=O)CC[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 334162641 DLPCBOAIXXBINV-LIRRHRJNSA-N 366.892 5.950 0 50 FKAA CCCn1c(C)c(C(=O)OC[C@H]2CCC(C)(C)C2)c2cc(OC)ccc21 1875357668 QIQBYIIMVBXBKW-INIZCTEOSA-N 357.494 5.351 0 50 FKAA Cc1ccc(Nc2nc([C@@]3(C)C[C@@H](CCC(C)C)C(=O)O3)cs2)cc1 674478 RHVNGYYWNZQCCU-FOIQADDNSA-N 358.507 5.410 0 50 FKAA CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(OC)cc1 1165475 LSDFFCDTFPASHN-UHFFFAOYSA-N 350.462 5.492 0 50 FKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 2942386 LYQJCFKSEWRRSQ-UHFFFAOYSA-N 356.425 5.672 0 50 FKAA Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 4366554 CDJDMSWCJSDGBN-PXNSSMCTSA-N 350.805 5.175 0 50 FKAA Cc1c(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)[nH]c2c(C)cccc12 11955236 XKILQMPVQRVTNH-KRWDZBQOSA-N 358.489 5.130 0 50 FKAA COc1ccc(CNCCc2ccc(Cl)cc2Cl)c2ccccc12 23550192 JFJKZHQSSJKWLC-UHFFFAOYSA-N 360.284 5.488 0 50 FKAA Fc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 45068180 LYSDTLBOVHGZCE-SFHVURJKSA-N 356.853 5.896 0 50 FKAA COc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 625165 SPGLWMHHVGCOAB-UHFFFAOYSA-N 352.242 5.469 0 50 FKAA Cc1sc2ncnc(SCC(=O)Nc3ccccc3C(C)C)c2c1C 955534 DDBYPAOVJHCCPR-UHFFFAOYSA-N 371.531 5.162 0 50 FKAA O=C(CCc1ccccc1)Nc1ccc(OCc2ccccc2Cl)cc1 1131027 YZFIRBRSMJSQFQ-UHFFFAOYSA-N 365.860 5.490 0 50 FKAA CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 2069512 GLIZSKVHWAXANS-UHFFFAOYSA-N 358.485 5.761 0 50 FKAA O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)c(Cl)c1 4717748 XFNJSALNJPSTNJ-UHFFFAOYSA-N 353.293 5.331 0 50 FKAA O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1CCc1ccccc1 17074971 QBVYRWDTLRSUHT-UHFFFAOYSA-N 364.495 5.030 0 50 FKAA CCOc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3F)sc2c1 20177654 ADJGECLZLYVTAM-UHFFFAOYSA-N 365.817 5.132 0 50 FKAA CCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2 20573054 DKLCZFMNBNPUPU-YFZSMNHSSA-N 366.549 5.682 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)s1 20602788 GCYSXSLEHDBQDP-UHFFFAOYSA-N 359.376 5.534 0 50 FKAA COc1ccc(-c2c(-c3ccccc3)ncn2CCc2ccncc2)c(C)c1 65409113 FOQNZXBNVVMNOO-UHFFFAOYSA-N 369.468 5.172 0 50 FKAA c1ccc(CC2=NC(c3ccccc3)(c3ccccc3)c3ccccc3N2)cc1 195994871 ZGNAPIRKPPPJDU-UHFFFAOYSA-N 374.487 6.045 0 50 FKAA OC1(c2ccc(Cl)cc2)CCN(Cc2cccc(Cl)c2Cl)CC1 756630 CVGVRLRNIHEVBI-UHFFFAOYSA-N 370.707 5.130 0 50 FKAA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 820007 AJSSUXHVZZFHQJ-SFHVURJKSA-N 368.480 5.047 0 50 FKAA COc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 853331 PYWPYWWRCFIZRE-UHFFFAOYSA-N 361.264 5.325 0 50 FKAA CC(=O)c1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1 1120157 FCUFIFNDRWSKII-UHFFFAOYSA-N 372.468 5.233 0 50 FKAA Cc1cccc(NC(=O)c2cccc(COc3cccc4ccccc34)c2)n1 1143524 FMMWOQKQFUAPQK-UHFFFAOYSA-N 368.436 5.375 0 50 FKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 1173113 XAWBPHCTRAYAJV-SNVBAGLBSA-N 359.800 5.478 0 50 FKAA Cc1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1-c1ccccc1 1175749 KABHENAMFMWAAX-UHFFFAOYSA-N 353.347 5.391 0 50 FKAA CC1=CC(C)(C)N(C(=S)NC(=O)c2cccc(Cl)c2)c2ccccc21 1200918 ASTCVMHGNZLFML-UHFFFAOYSA-N 370.905 5.057 0 50 FKAA CCc1ccc2oc(-c3ccc(NC(=O)c4ccccc4OC)cc3)nc2c1 1208005 MQJUXFBXYIREJO-UHFFFAOYSA-N 372.424 5.318 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)c(C)c3)c2)cc1 1218940 MYFXSOIQBPYETD-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA Cc1ccc(NC2=C[C@H](c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1225604 ONCQDEJVEVRUNG-HSZRJFAPSA-N 354.453 5.387 0 50 FKAA Cc1cc(C)c(NC(=O)c2cc3sc4ccccc4c3s2)c(C)c1 2249788 GXBDDIUBJYGUNX-UHFFFAOYSA-N 351.496 6.294 0 50 FKAA Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)c1 2582972 LUZFNFRMORUWNG-UHFFFAOYSA-N 373.408 5.054 0 50 FKAA O=C(Nc1ccc(Cl)cn1)c1ccccc1SCc1ccccc1 4603587 GJTDQLDXYJMYAI-UHFFFAOYSA-N 354.862 5.280 0 50 FKAA Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1C 4811283 WLOUJDUARBUYAJ-UHFFFAOYSA-N 358.290 5.028 0 50 FKAA Cc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1Br 4912392 OOKXYPLMHAWHAF-KRWDZBQOSA-N 366.258 5.385 0 50 FKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(C(C)C)cc2)[C@H]3CCC1 5032420 LZAVEFJXQWCPBC-VWLOTQADSA-N 372.556 6.356 0 50 FKAA CC[C@@H](C)c1ccc([C@@H](CC)NC(=S)NCc2ccc(F)cc2)cc1 7073334 HJNHYGKELPSCMC-FOIQADDNSA-N 358.526 5.455 0 50 FKAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCC[C@H]1c1ccc(F)cc1 12577133 LIQAWWYFIRAAGO-FQEVSTJZSA-N 372.390 5.404 0 50 FKAA COc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)c(OC)c1C 19841316 NTDZDEGTHKCBEQ-JOCHJYFZSA-N 361.485 5.086 0 50 FKAA CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@H](O[C@@H]3C[C@@H]4[C@H](O3)[C@]3(C)CC[C@H]4C3(C)C)C[C@H]12 25724719 VUDXCBLBKXFCNA-VFQSMPPFSA-N 374.565 5.378 0 50 FKAA Cc1ccccc1-c1ccccc1C(=O)N(C)Cc1cccc2cccnc12 215778050 AHMYPUBZWCQORH-UHFFFAOYSA-N 366.464 5.482 0 50 FKAA CC(C)c1oc([C@H]2CCCN2C(=O)CC(F)(F)F)nc1-c1ccccc1 266289677 IACJLGJACIFOHC-CQSZACIVSA-N 366.383 5.081 0 50 FKAA CSc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 661270 XRSGKHPYXOXHEA-UHFFFAOYSA-N 355.459 5.092 0 50 FKAA COC(=O)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 940541 WIZWFKNUFQXOIG-UHFFFAOYSA-N 368.385 5.028 0 50 FKAA CC(C)(C)C(=O)Nc1ccc2c(c1)-c1cc(NC(=O)C(C)(C)C)ccc1C2 1085672 PZAYMOOHXPGHOB-UHFFFAOYSA-N 364.489 5.227 0 50 FKAA aggregator Cc1ccc(Cn2nc(C)c(NC(=O)Nc3ccc(Cl)cc3)c2C)cc1 2762526 QRQUFDHJUONODR-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA O=C(c1ccc(-c2ccccc2)cc1)N(C1CCCCC1)C1CCCCC1 2832027 JOHJVMQFOMGUGA-UHFFFAOYSA-N 361.529 6.461 0 50 FKAA CSc1cccc(NC(=S)Nc2ccc(Cc3ccncc3)cc2)c1 2861425 LOCTZZCMIFPVBO-UHFFFAOYSA-N 365.527 5.203 0 50 FKAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)cc1 11911822 CWBQOLAOYLAVSY-FQEVSTJZSA-N 370.500 5.246 0 50 FKAA Cc1ccc(N[C@@H]2CCCN(C(=O)Nc3c(C)cccc3C)C2)cc1C 12297761 QYVQUCYJUSUWPZ-HXUWFJFHSA-N 351.494 5.029 0 50 FKAA COc1cccc2c1O[C@@H](C1CCCCC1)N1N=C(c3ccccc3)C[C@H]21 39574120 AYRZSUCARUPAIH-OFNKIYASSA-N 362.473 5.145 0 50 FKAA S=C(Nc1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1cccs1 252498468 RCTHFMGDJXCMOO-INIZCTEOSA-N 369.540 5.358 0 50 FKAA CC[C@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 746048315 FHDDRDSFBCUDMR-DLBZAZTESA-N 357.803 5.133 0 50 FKAA Cc1cc(C(F)(F)F)ccc1CN1CCCC[C@H]1c1cc2ccccc2[nH]1 1875318903 YYOOFJVBQYEBCM-NRFANRHFSA-N 372.434 6.222 0 50 FKAA Cc1ccc(C)c(-n2nc(Cc3cccnc3)nc2C2C[C@H]3CC[C@H](C2)C3)c1 1875347709 CWTCUNNNKDYAJI-OALUTQOASA-N 372.516 5.164 0 50 FKAA CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc4ccccc4c3)ccc12 622080 YPCQWVZXFWGKET-UHFFFAOYSA-N 372.420 5.079 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1 678132 IYFIOULPEWFADD-UHFFFAOYSA-N 368.392 5.802 0 50 FKAA COc1ccccc1C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C 869156 XLVZJSWQXQBNMM-UWJYYQICSA-N 372.468 5.287 0 50 FKAA CC(C)(C)c1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 2357854 XIZJRZFKWGCOKK-UHFFFAOYSA-N 354.881 5.091 0 50 FKAA COc1cc(CN[C@@H](C)c2ccccc2)c(Cl)cc1OC1CCCC1 5013913 NYRCOYJBNCJKQQ-HNNXBMFYSA-N 359.897 5.521 0 50 FKAA Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc2cc(Cl)ccc12 19720951 CSHVDSHUDRTGAH-UHFFFAOYSA-N 372.299 5.177 0 50 FKAA Clc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccn1 20543121 YXWCEMHVEJUBGT-HSZRJFAPSA-N 373.887 5.364 0 50 FKAA Cc1cccc2oc(Cn3cnc(-c4ccccc4)c3-c3ccoc3)nc12 65462433 FOXARKYSCKTPJC-UHFFFAOYSA-N 355.397 5.308 0 50 FKAA Cc1cc(C(=O)N2CCC[C@H](c3ccccc3C)C2)c2cccc(C)c2n1 82120811 DFIFTSHMEMHYMO-IBGZPJMESA-N 358.485 5.180 0 50 FKAA CCCCCCn1cc(C(=O)c2cccc3ccccc23)c2cc(O)ccc21 95705064 VEOUPNIXKBJMFF-UHFFFAOYSA-N 371.480 6.311 0 50 FKAA in-vitro CCCCCCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 207505282 JWMLLNXCJCXPPQ-LTGZKZEYSA-N 363.457 5.299 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)NC1CCCCC1 1137227 JTCUFXUIBHNCPC-UHFFFAOYSA-N 369.431 5.150 0 50 FKAA COc1ccc(Nc2nc(Cl)c(C(F)(F)F)c(Cl)c2Cl)cc1 2082618 LLKRERXEDAUREU-UHFFFAOYSA-N 371.573 5.813 0 50 FKAA CCCOC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 2131928 UXTZKJONKVCDDX-UHFFFAOYSA-N 373.861 5.374 0 50 FKAA O=C(c1ccccc1)[C@H](Sc1nc2ccccc2s1)c1ccccc1 2359750 YKHNVGVPPWQIBC-HXUWFJFHSA-N 361.491 6.013 0 50 FKAA Cc1sc(-c2ccccn2)nc1OC(=O)c1cccc(Cl)c1Cl 3116643 FCUUXCAIRJWAPL-UHFFFAOYSA-N 365.241 5.040 0 50 FKAA Clc1ccc(-c2csc(Cc3nc(-c4ccccc4)cs3)n2)cc1 4754841 CDGRNIJYWZLOJS-UHFFFAOYSA-N 368.914 6.178 0 50 FKAA CC1(C)C2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)Cc2cnoc21 5456493 AXLOCHLTNQDFFS-XVNQQBLRSA-N 355.522 5.038 0 50 FKAA in-vivo CCc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 5985148 IVTWBUFRTNKTKY-AWEZNQCLSA-N 356.535 5.296 0 50 FKAA Cc1cc(SCC(=O)c2ccc(Cl)cc2Cl)nc2ccccc12 13281368 XPQQOEYLNXJSIC-UHFFFAOYSA-N 362.281 5.825 0 50 FKAA Cc1cccc2cc(CNCCc3ccccc3)c(-c3cccs3)nc12 14988764 YJAJQMKAAMAGCV-UHFFFAOYSA-N 358.510 5.604 0 50 FKAA CCOc1ccc(C(F)(F)F)cc1NCc1csc([C@@H]2CCCO2)n1 134835314 DVWJVCMZQAIPEI-HNNXBMFYSA-N 372.412 5.024 0 50 FKAA CCOC(=O)Nc1sc(-c2ccc(OC)cc2)nc1-c1ccc(C)cc1 170623695 RDAVETDWFUCOMO-UHFFFAOYSA-N 368.458 5.363 0 50 FKAA C[C@H](Cc1nc(C2CCCC2)nn1-c1cccc(Cl)c1)c1ccncc1 1875348259 KRYZTOUFSKIQHN-OAHLLOKOSA-N 366.896 5.320 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(Cl)c(Cl)c1 640815 REJBKVLGFBDTOY-UHFFFAOYSA-N 366.027 5.285 0 50 FKAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 651630 BZJRSPLDGRUCKJ-SNVBAGLBSA-N 358.652 5.361 0 50 FKAA O=C(COC(=O)c1ccccc1-c1ccccc1)c1ccccc1Cl 993149 SFSYHLSATHAQJC-UHFFFAOYSA-N 350.801 5.047 0 50 FKAA Cc1cc(C)cc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)c1 1163608 QNXUJPMIKVLWKD-YIQFJJPYSA-N 367.492 5.929 0 50 FKAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2)cc1 1178208 XRRJEXSCEAWVKD-UHFFFAOYSA-N 371.415 5.239 0 50 FKAA CCc1ccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc1 1209806 YJHQEBGVRNULBE-UHFFFAOYSA-N 360.388 5.449 0 50 FKAA CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCC3 1795535 ATUKDNXGIRWRJN-UHFFFAOYSA-N 370.543 5.137 0 50 FKAA CCOc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 4541802 YTSAAIWWGNKWQF-UHFFFAOYSA-N 369.848 5.570 0 50 FKAA Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2Cl)c1 4990775 LWKFVDXXJSOXKD-BUHFOSPRSA-N 372.855 5.518 0 50 FKAA Cc1cccc(-c2nc3cc(C)ccc3cc2CN(C(=O)C(C)C)C2CC2)c1 12217244 HDDKYMIXHKQHQA-UHFFFAOYSA-N 372.512 5.666 0 50 FKAA C[C@H](CC[C@@H](COc1ccccc1N)[C@H](C)CC(C)(C)C)CC(C)(C)C 101016290 HGQBRBXGVRFTTN-AQNXPRMDSA-N 361.614 7.189 0 50 FKAA CC(C)c1nc([C@H](C)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 225410175 YFGCXKQUQBXTBB-GUYCJALGSA-N 354.416 5.865 0 50 FKAA Oc1ccc(CNc2nc(Cl)nc3scc(C4CCCCC4)c23)cc1 1875387945 GOIYSWNEUWLFOW-UHFFFAOYSA-N 373.909 5.710 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1Oc1ccccc1 2820318 DOPNVMOTGCZZBT-UHFFFAOYSA-N 358.224 6.038 0 50 FKAA Clc1ccc([C@@H]2CN(c3ccccc3)N=C2c2cccs2)c(Cl)c1 4611240 CDZFVNADHWJMRU-INIZCTEOSA-N 373.308 6.063 0 50 FKAA Fc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccccc3F)C2)cc1 5073953 CTSNKRWWLFZVIV-NRFANRHFSA-N 368.814 5.974 0 50 FKAA FC(F)(F)c1ccc(C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 5572150 XUVFCAOXQWAZBM-UHFFFAOYSA-N 367.394 5.044 0 50 FKAA CC[C@H]1CCc2sc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1 6392644 VYBIFXWLYUPKNA-NSHDSACASA-N 353.409 5.534 0 50 FKAA Cc1oc(-c2cccc(Cl)c2)nc1CN(CC1CCC1)C[C@@H]1CCCO1 11844304 UVRJCSIZLXDRCB-IBGZPJMESA-N 374.912 5.085 0 50 FKAA C/C(=C\c1ccco1)CN1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 20586774 LOGCLAPGCALPOQ-NBVRZTHBSA-N 361.489 5.261 0 50 FKAA Cc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)C2CCCC2)s1 77407659 LGWPQFCSZWVRBX-UHFFFAOYSA-N 366.486 5.297 0 50 FKAA COc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2OB(F)F)cc1 169806195 ZGTNGBYKVHGYRH-UHFFFAOYSA-N 368.144 5.021 0 50 FKAA Cc1cc(-c2ccc(F)c(Cl)c2)nc2ccc(Br)cc12 1875335050 QSQGQMGBRDEEBE-UHFFFAOYSA-N 350.618 5.765 0 50 FKAA CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2ccccc12 851742 MZTHYESUXWNTGC-UHFFFAOYSA-N 366.464 5.564 0 50 FKAA C[C@@H]1Cc2ccccc2N1C(=O)c1sc2cc(Cl)ccc2c1Cl 1183761 GWRWAXHWHAQTLZ-SNVBAGLBSA-N 362.281 5.800 0 50 FKAA Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 1689061 YFHKLSPMRRWLKI-UHFFFAOYSA-N 358.547 6.461 0 50 FKAA O=c1cc(-c2ccccc2)c2ccc(OCc3ccc(F)cc3F)cc2o1 2841587 LWUAREQLCKOZIV-UHFFFAOYSA-N 364.347 5.317 0 50 FKAA CCCCc1ccc(NC(=O)/C=C/c2cc(-c3ccccc3)cs2)cc1 4542096 CMYNTFZMEYDLHS-CCEZHUSRSA-N 361.510 6.410 0 50 FKAA CCCCCC1CCC(c2ccc(-c3ccc(OCC)cc3)nc2)CC1 5002611 GGKKZWVYBVQJHI-UHFFFAOYSA-N 351.534 7.001 0 50 FKAA Clc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1Cl 170612480 UDHDFTUFNWLQNW-UHFFFAOYSA-N 366.251 6.347 0 50 FKAA CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1 245189351 ZVCPJOLFAYLVER-IFSQOONMSA-N 374.540 6.924 0 50 FKAA C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)OC[C@H]1CCC(C)(C)C1 1875342880 LLWCVJDMCOOLOL-IRXDYDNUSA-N 367.489 5.214 0 50 FKAA Cc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1C 659239 GZZZPJGUXQLDEI-UHFFFAOYSA-N 365.860 5.788 0 50 FKAA CC(C)(C)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1 946578 RMAUGEQBABUQJD-UHFFFAOYSA-N 368.484 5.601 0 50 FKAA Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1 1228468 QYSFOQQDEXZCBV-UHFFFAOYSA-N 367.470 5.205 0 50 FKAA Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12 2526554 JLPYLHLUHJOPNL-UHFFFAOYSA-N 373.855 5.444 0 50 FKAA in-vivo Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3C[C@@H]3C)c2C(=O)OC(C)C)cc1 2789017 JCGCDRHPIWKNTP-XJKSGUPXSA-N 371.502 5.192 0 50 FKAA Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1 2848229 YHKJCMKRSHGSHU-UHFFFAOYSA-N 361.426 5.026 0 50 FKAA aggregator CCOC(=O)c1ccc2nc(C)c(CC=C(Cl)Cl)c(Cl)c2c1 2878797 DIABQLOKNRQMTR-UHFFFAOYSA-N 358.652 5.235 0 50 FKAA Cc1ccc(OCCCOc2cccc3cccnc23)c(Br)c1 2991019 HBIZHYWCLQTROB-UHFFFAOYSA-N 372.262 5.154 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3cccc(C)c3n2)cc1C 5943111 YWDOFZWZJYCFER-UHFFFAOYSA-N 358.485 5.453 0 50 FKAA Cc1cc(C(=O)N(C/C=C/c2ccccc2)C2CC2)c2cccc(C)c2n1 82106331 DVHDCGFSSPUVID-YRNVUSSQSA-N 356.469 5.170 0 50 FKAA Cc1nc(-c2ccc(F)cc2)c(NC(=O)c2cccc3ccccc23)s1 2050024830 BTDKWIQXKBVJMW-UHFFFAOYSA-N 362.429 5.663 0 50 FKAA CCCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1 1073933 XBKKSADVEJBAFT-UHFFFAOYSA-N 367.452 5.502 0 50 FKAA CCc1cc(=O)oc2c(C)c(OCc3ccccc3Br)ccc12 1153128 RMTPKBTTXMDFIX-UHFFFAOYSA-N 373.246 5.005 0 50 FKAA CC(C)CC(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 1156327 VPBBOYBSITZGFM-UHFFFAOYSA-N 350.462 5.777 0 50 FKAA CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O 1550770 BOOOLEGQBVUTKC-NVQSDHBMSA-N 352.518 5.900 0 50 FKAA investigational Cc1ccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1773423 SGESGAJVVJYEBX-UHFFFAOYSA-N 371.786 5.465 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 2176591 JDJXAPORQUWPRV-UHFFFAOYSA-N 374.440 5.084 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccc2)on1 2874759 DXZDEZHGWSUCTF-UHFFFAOYSA-N 366.726 5.266 0 50 FKAA Cc1cc(CN(Cc2cc(C)c(O)c(C)c2)C2CCCCC2)cc(C)c1O 4686851 DFKXSUNMXDTGDX-UHFFFAOYSA-N 367.533 5.666 0 50 FKAA Cc1ccc(CNc2c3c(nc4ccccc24)CC(C)(C)CC3=O)c(C)c1 18122467 XWJVAEPEHQJGAA-UHFFFAOYSA-N 358.485 5.619 0 50 FKAA biogenic C[C@H](CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1)c1ccccc1 43131257 ACPQJUGZAWPZSY-XLIONFOSSA-N 363.480 5.199 0 50 FKAA O=C(Nc1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 640482 UAIMUBVKASOQQV-UHFFFAOYSA-N 360.038 5.400 0 50 FKAA Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(cc12)CCCCCC3 689561 PKJRYJNTYNMYJC-UHFFFAOYSA-N 370.905 5.422 0 50 FKAA COc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1Cl 953132 OPYAOTPMMLHPQS-UHFFFAOYSA-N 365.860 5.386 0 50 FKAA CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 1178694 WRPQROPNWXBGRM-UHFFFAOYSA-N 367.301 5.244 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 1778138 GLJKCFNYWDURSK-OVCLIPMQSA-N 364.489 5.118 0 50 FKAA CC(C)(C)SCCNC(=O)c1ccccc1SCc1ccccc1 3003878 CGSMQJPAJPOBNB-UHFFFAOYSA-N 359.560 5.240 0 50 FKAA O=C1[C@H](c2c[nH]c3ccccc23)CC(c2ccccc2)=NN1c1ccccc1 4612907 RJXCDDSRKOUNAK-FQEVSTJZSA-N 365.436 5.093 0 50 FKAA CCn1c(SCc2ccccc2Cl)nnc1-c1c[nH]c2ccccc12 4808409 KKIIRCAVFYVBFH-UHFFFAOYSA-N 368.893 5.392 0 50 FKAA COc1ccccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 4990864 UCXPIPYDTWKZFH-UHFFFAOYSA-N 361.319 5.226 0 50 FKAA Cc1cc(C)cc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1 6963364 BGLBSPNIUDQKDB-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA O=C(Oc1ccc(Cl)c2cccnc12)c1ccc(Cl)c(Cl)c1 13285116 LHBNXTGYVAKRAN-UHFFFAOYSA-N 352.604 5.414 0 50 FKAA CCC[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 25558744 LAYDXRNIEULOQX-MSOLQXFVSA-N 361.272 5.663 0 50 FKAA Oc1ccc(OC/C=C/c2ccccc2)cc1-c1c[nH]nc1-c1ccco1 888089529 KPLVEFAYZFUKMJ-XBXARRHUSA-N 358.397 5.135 0 50 FKAA CO[C@@H](CN[C@H](C)c1ccc(Cl)c2ccccc12)Cc1ccccc1 2325870460 YRUJXHFXIHNPQP-SJLPKXTDSA-N 353.893 5.402 0 50 FKAA Cc1cccc(Cl)c1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl 641024 NQAMWJSTPQZKGK-UHFFFAOYSA-N 364.059 6.253 0 50 FKAA O=C(O)c1ccc(Cl)c(-c2ccc(-c3nc4ccccc4s3)o2)c1 1110066 WDOOFZXJOCFRCE-UHFFFAOYSA-N 355.802 5.575 0 50 FKAA O=C(CCNc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 1118900 ATVPCMCCJZGXMN-UHFFFAOYSA-N 372.184 5.153 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)CCc1ccccc1 1150933 WCMNDPIYUHSLAP-AWEZNQCLSA-N 368.864 5.055 0 50 FKAA CC(C)(C)c1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1 1195157 SLEOCFYRYRMTIH-UHFFFAOYSA-N 352.463 5.147 0 50 FKAA COc1ccc(-c2ccccc2)cc1NCc1c(Cl)cccc1Cl 2894152 RXEGDVNMRNOOBR-UHFFFAOYSA-N 358.268 6.281 0 50 FKAA CCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 4542171 FXUMBILBBVZMIO-WYMLVPIESA-N 367.832 5.651 0 50 FKAA COc1cc(C)c(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1C 4806695 ZAKUWBXXPVGKKX-UHFFFAOYSA-N 367.489 5.377 0 50 FKAA CCCc1sc(NC(=O)c2cccnc2)nc1-c1cc(C)ccc1C 4893301 RXEUUWNRZRJEDW-UHFFFAOYSA-N 351.475 5.027 0 50 FKAA C[C@@H](CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 4981057 BIHXXJVQMPEIFJ-KRWDZBQOSA-N 362.439 5.021 0 50 FKAA Clc1ccc(Oc2cccc(CN3CCC[C@@H]4CCCC[C@@H]43)c2)cc1 4988936 RYCRTNPTJUFFBR-AVRDEDQJSA-N 355.909 6.287 0 50 FKAA Fc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)cc1 5739532 FHXPSLZXKSNXPY-IRLDBZIGSA-N 362.379 5.207 0 50 FKAA Cc1c([C@H](C)NCc2ccc(-c3ccco3)cc2)cnn1-c1ccccc1 12582693 VDIJBCSQRGFTFK-KRWDZBQOSA-N 357.457 5.292 0 50 FKAA Cc1cc(NC(=O)N2CCC[C@@H]2c2cccs2)ccc1Br 15837673 DWGSCLXXZSZKEP-CQSZACIVSA-N 365.296 5.188 0 50 FKAA CC1(C)[C@]2(c3ccccc3)[C@@H]3C=C(Br)C[C@@H]3[C@@]12c1ccccc1 216357351 ZCUSLGXRRGHAJZ-WAGURGNTSA-N 365.314 5.831 0 50 FKAA Cc1nc(SC[C@H](O)c2ccccc2)n([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 252444513 QORSQJAPLHWXKH-OHNKGQGDSA-N 370.562 5.323 0 50 FKAA O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 756398 YZUOVUQAJIUZCQ-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA O=C(OCc1ccccn1)c1ccc(COc2cccc3ccccc23)cc1 998902 TUBMHIOSSXFGFV-UHFFFAOYSA-N 369.420 5.171 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3ccc(F)cc3F)c(Cl)cc12 1110889 IFFNKHATARMUPT-UHFFFAOYSA-N 364.775 5.256 0 50 FKAA O=C1C[C@@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21 1403147 WLXVJMDOENLLJQ-SFHVURJKSA-N 368.354 6.216 0 50 FKAA O=C(Cc1c(Cl)cccc1Cl)N1CCC(Cc2ccccc2)CC1 1457134 IQCPLGGAFRJNGM-UHFFFAOYSA-N 362.300 5.017 0 50 FKAA CCCCOc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 2069215 CZHMQFIZAXLDLQ-UHFFFAOYSA-N 373.250 5.345 0 50 FKAA Cc1ccc(N[C@H](c2c[nH]c3ccccc23)P2(=O)O[C@@H](C)[C@H](C)O2)cc1 3877394 SUJTZZWELBPEGF-AVYPCKFXSA-N 370.389 5.604 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C 677405 FQBOEVWIVUGOMM-UHFFFAOYSA-N 361.228 5.518 0 50 FKAA CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(N)cc1 679526 QMMOFYUOOCYUQZ-UHFFFAOYSA-N 366.534 5.137 0 50 FKAA COc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C 822715 RLTMCVSSMROTGR-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA Cc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1C 1156400 MNKDARUBUXVGNV-UHFFFAOYSA-N 370.246 5.578 0 50 FKAA COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 1180216 WNAOLTUTZWJXJK-UHFFFAOYSA-N 358.850 5.033 0 50 FKAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 2978040 OHBVMWWAHPVSRL-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1ccc(Br)c(Cl)c1 3017048 IGSMSLGHBBCPPQ-UHFFFAOYSA-N 360.038 5.400 0 50 FKAA Cc1ccc(C(C)(C)C[C@H](C)N[C@@H](Cc2ccccc2)c2ccccc2)o1 16677704 FXSBMZUIPOWPDA-CVDCTZTESA-N 361.529 6.218 0 50 FKAA CCCCCCc1cc(I)sc1Br 71606584 SDMKEQYHISDGKT-UHFFFAOYSA-N 373.097 5.238 0 50 FKAA in-vitro CCn1c(C)c(C)c2cc(C(=O)Nc3cccc(Br)c3)ccc21 679918 XANAFUIUXQSDAK-UHFFFAOYSA-N 371.278 5.293 0 50 FKAA C[C@@]1(C(=O)Nc2ccccc2Cl)CC2c3ccccc3C1c1ccccc12 1056012 WGEXFUWUIHCXRW-MXJXRJBTSA-N 373.883 5.966 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1C(F)(F)F 1124275 OHGWOQRZIVCQID-UHFFFAOYSA-N 357.331 5.750 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=S)NCCC(C)C)cc3)sc2c1 1152069 KLDFBEOQZDVRBW-UHFFFAOYSA-N 369.559 5.604 0 50 FKAA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 2053539 IRKGUKXIAPCZNF-AREMUKBSSA-N 369.508 5.751 0 50 FKAA CC(C)(C)Nc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 625936 KBSUBFRYYVBQRL-UHFFFAOYSA-N 353.857 5.205 0 50 FKAA biogenic C[C@@H](c1ccco1)N(C(=O)c1ccc(-c2ccccc2)cc1)c1ccccn1 636490 SRKYCBZSTVMGKE-SFHVURJKSA-N 368.436 5.750 0 50 FKAA O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1 1211794 RNZYPFVNYRRRRH-UHFFFAOYSA-N 373.195 5.647 0 50 FKAA CC(C)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 2863882 YXQXDNMHSSFVKY-JOCHJYFZSA-N 361.510 6.282 0 50 FKAA CC[C@@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)c1cc(C)ccc1C 4809937 UKFYCVVFOGFBMP-DNQXCXABSA-N 373.496 5.367 0 50 FKAA O=C(O)c1ccccc1S[C@H](c1ccccc1)c1ccc(Cl)cc1 19625430 NRRWFNBGKYTBSE-LJQANCHMSA-N 354.858 5.920 0 50 FKAA O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(Oc2ccccc2)o1 1875335896 KMHWILCQGOSPGZ-NRFANRHFSA-N 365.404 5.482 0 50 FKAA CCN(Cc1ccc(Cl)cc1)C(=O)C(C)(C)c1ccc(Cl)cc1F 1875347233 RUOZQADKELTTLV-UHFFFAOYSA-N 368.279 5.459 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1c(Cl)cccc1Cl 657364 GWSFRLMLGQGHNM-UHFFFAOYSA-N 357.240 5.989 0 50 FKAA Cc1cc(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccccc12 1096622 LVVAWVWOVOZBIQ-UHFFFAOYSA-N 360.841 5.067 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(Cl)ccc1Cl 2143196 RESDKUKSZMDUKK-UHFFFAOYSA-N 350.289 6.493 0 50 FKAA Cc1cccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)c1 2334213 UYDONARQAIBXEZ-UHFFFAOYSA-N 366.555 6.521 0 50 FKAA Cc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1C 2461613 KMDMCDTYELBAMF-UHFFFAOYSA-N 352.478 5.221 0 50 FKAA C[C@H](NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 2849573 SNSVKDUMHCQDNM-LBPRGKRZSA-N 360.240 5.744 0 50 FKAA CC(=O)Nc1cccc(Oc2nc(-c3ccccc3F)nc3ccccc23)c1 4472861 XKZQWWDYHKPPOD-UHFFFAOYSA-N 373.387 5.187 0 50 FKAA CC[C@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1cc(C)ccc1C 4809932 UKFYCVVFOGFBMP-ZEQRLZLVSA-N 373.496 5.367 0 50 FKAA O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1Cl 4842091 MMNSJZTZEDRTNP-UHFFFAOYSA-N 362.816 5.078 0 50 FKAA Cc1ccc(CCNC(=O)c2cc3cc4cc(C)ccc4nc3s2)cc1 8609624 NWJXEUYJHCHKTH-UHFFFAOYSA-N 360.482 5.039 0 50 FKAA CCOc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc1 15866972 CTVWNVCUSNKJQO-SFHVURJKSA-N 358.507 5.604 0 50 FKAA COC(=O)c1ccccc1N[C@@H]1O[C@@]2(C)CCCC(C)(C)[C@H]2CC1(C)C 43157546 PQVLDRKTOORATP-JUXOCIIHSA-N 359.510 5.243 0 50 FKAA Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccnc1Cl 120502630 HDHHWOKREMXFLF-UHFFFAOYSA-N 364.257 5.073 0 50 FKAA C[Si](C)(C)[C@@H]1[C@@H](C(=O)c2ccccc2)C1(c1ccccc1)c1ccccc1 169828976 OWSVNRXYZSVKIP-ISKFKSNPSA-N 370.568 6.194 0 50 FKAA CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H](C(=O)c5ccccc5)CC[C@@H]34)[C@@]2(C)CC1 230077480 YKMWBUJFIQUVEI-UILTZBHSSA-N 362.557 6.838 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 245235275 IUOVUHKJLLXHLL-HIVMJAFUSA-N 364.316 6.261 0 50 FKAA CC(C)c1nnc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)s1 834555503 YSZMYJXBBHUKBM-GOSISDBHSA-N 373.909 5.009 0 50 FKAA CSc1ccc(NC(=O)Nc2c(C)cc(Br)cc2C)cc1 641119 SAMWFJJENCZZSG-UHFFFAOYSA-N 365.296 5.432 0 50 FKAA Cc1cc(Br)ccc1NC(=O)c1ccccc1-c1ccccc1 1132831 WWBIUSYDBOWVSA-UHFFFAOYSA-N 366.258 5.677 0 50 FKAA COc1ccc(Cl)cc1NC(=S)N1c2ccc(F)cc2CC[C@H]1C 2854710 QGCUJMZOZBXKFJ-LLVKDONJSA-N 364.873 5.026 0 50 FKAA Cc1cc(C)cc(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)c1 6963366 VRTSABOHZLVCCQ-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA FC(F)(F)c1ccccc1NC(=S)NCCCCc1ccccc1 17073044 OGLHKGWZLPACGW-UHFFFAOYSA-N 352.425 5.015 0 50 FKAA Cc1cc(NCc2cccc(Br)c2)nc2cc(Cl)ccc12 19720545 BRKCFKVGPZQKDQ-UHFFFAOYSA-N 361.670 5.571 0 50 FKAA Cc1cc(N[C@@H](Cc2ccccc2)c2ccccc2)nc2cc(Cl)ccc12 23634739 VLDQRUXJALWTIN-QFIPXVFZSA-N 372.899 6.593 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@H]4C(C)=O)[C@H]3CC[C@H]2C1 25547313 RWGWCMSZRIAUME-JNPMKDFDSA-N 358.522 5.086 0 50 FKAA CC[C@H](COC)n1cnc(-c2ccccc2)c1-c1ccc2onc(C)c2c1 65502087 ZRBNTYMZOKJXND-GOSISDBHSA-N 361.445 5.264 0 50 FKAA CCCc1cc2c(=S)c(-c3cc4ccccc4o3)c(C)oc2cc1OC 630435 MDRUOQCBDINKBJ-UHFFFAOYSA-N 364.466 6.845 0 50 FKAA biogenic COc1ccc(OC)c(NC(=O)N(C2CCCCC2)C2CCCCC2)c1 640624 DNCHDTOHHGZEEK-UHFFFAOYSA-N 360.498 5.203 0 50 FKAA COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)c(OC)cc1Cl 752491 KEDDUFFTBTWKAU-UHFFFAOYSA-N 367.832 5.277 0 50 FKAA C/C=C/c1c(F)c(F)c(Oc2ccc(C=O)cc2OCC)c(F)c1F 1141273 HEVNTZRVNZMRDJ-HWKANZROSA-N 354.299 5.280 0 50 FKAA Cc1cc(C)cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 1166328 UJYKJVUUTSPPGA-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1 1229368 NHAHUKXPDVQMPV-UHFFFAOYSA-N 371.839 5.679 0 50 FKAA CCCOC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 2131956 XKGNEOPJQYZWSO-UHFFFAOYSA-N 373.452 5.024 0 50 FKAA Oc1ccc(Cc2ccccc2Cl)cc1-c1nc2ccccc2s1 2857176 XJJHVWLLOZMAQS-UHFFFAOYSA-N 351.858 5.913 0 50 FKAA Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 11816250 DTVHDHFKAXDTJG-QGZVFWFLSA-N 370.880 5.084 0 50 FKAA Cc1cccc(/C=C\c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c1 32639527 WLEYNQMJVLAHOE-YPKPFQOOSA-N 352.437 5.173 0 50 FKAA COc1cc(Oc2cccc(C(F)(F)F)c2)ccc1CN1CCCC1 67459577 KILQUFGJMVDMCQ-UHFFFAOYSA-N 351.368 5.102 0 50 FKAA COc1ccccc1CSc1nnc(-c2ccccc2)n1-c1ccccc1 645787 YTPSOSMDBGKMGF-UHFFFAOYSA-N 373.481 5.235 0 50 FKAA O=C(Nc1cccc2ccccc12)c1sc2cccc(Cl)c2c1Cl 911657 QGYFBUCTIWIGGJ-UHFFFAOYSA-N 372.276 6.614 0 50 FKAA CCOc1cc(C)c2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 1142676 OGWUGVIXTWJGEH-UHFFFAOYSA-N 364.319 5.311 0 50 FKAA biogenic c1ccc(Cn2c(SCc3nc4ccccc4[nH]3)nc3ccccc32)cc1 1196293 ZZIFTVIGRQUWPS-UHFFFAOYSA-N 370.481 5.253 0 50 FKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)cc1 1213930 LLDPXFAYWMOCSH-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA COc1ccccc1OCCCC(=O)Oc1ccc(-c2ccccc2)cc1 1903377 AITWBCLNLVBFOE-UHFFFAOYSA-N 362.425 5.127 0 50 FKAA c1ccc(C2(CNc3ncnc4sc5c(c34)CCCC5)CCCC2)cc1 2768891 XDWRPNDRBAEYRQ-UHFFFAOYSA-N 363.530 5.494 0 50 FKAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4281974 MKKPUSJWXHOZGO-LADGPHEKSA-N 370.452 5.328 0 50 FKAA CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4650977 FMZREABFRWUADD-IAJVKVRKSA-N 368.565 5.919 0 50 FKAA CCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1O 13860562 WPUCRISSEKWRQP-AWEZNQCLSA-N 359.485 5.846 0 50 FKAA C[Si](C)(C)[C@]1([C@@H](O)c2ccccc2)CC1(c1ccccc1)c1ccccc1 169828997 DGDDYYWJAPYTEG-ZCYQVOJMSA-N 372.584 6.189 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2ccccc2)cc1 624013 APYFHBRKQHVLPG-UHFFFAOYSA-N 372.251 5.678 0 50 FKAA CCCc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)cs1 650807 YGEKXWIAIBYVNP-UHFFFAOYSA-N 370.543 6.002 0 50 FKAA CCc1c(C)sc(NC(=O)c2cccc(Cl)c2)c1C(=O)OC(C)C 995329 BMQPIUHXFQEPCL-UHFFFAOYSA-N 365.882 5.090 0 50 FKAA O=C(NCCC1=CCCCC1)N1c2ccccc2Sc2ccccc21 1015688 BGKUFKNRQQYGKW-UHFFFAOYSA-N 350.487 5.889 0 50 FKAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C(C)C)cc1 1179338 ANOHXLVHSDDZBP-UHFFFAOYSA-N 372.827 5.818 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cs1)Nc1ccc(Cl)cc1Cl 1262248 OHNDBGSNJZOGEO-UHFFFAOYSA-N 364.257 5.761 0 50 FKAA O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccc(Br)cc1 1382564 CJYQOBCFXBZWPT-UHFFFAOYSA-N 360.638 5.329 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1777996 LWMTXZZDCGJSIE-VMPITWQZSA-N 350.245 5.434 0 50 FKAA CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2346584 ZBFKYJPOMBIJLX-UHFFFAOYSA-N 370.543 5.218 0 50 FKAA COc1ccc(F)c(-c2nc(CN(C)[C@@H](C)c3cccs3)c(C)o2)c1 12459554 MXXAIRFPUZGZST-LBPRGKRZSA-N 360.454 5.052 0 50 FKAA CCOC(=O)c1sc(-c2cccc(-c3cc4ccccc4[nH]3)c2)nc1C 98072718 QEIYSHLYAWGDNB-UHFFFAOYSA-N 362.454 5.444 0 50 FKAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](Cc1ccccc1)[Si](C)(C)C 169831392 RCIROEBZPDEGDF-PMXSJFBMSA-N 360.614 5.942 0 50 FKAA Clc1cncc(Cl)c1CNCC[C@H](c1ccccc1)c1ccco1 952988939 AQOQUAQESGDADZ-OAHLLOKOSA-N 361.272 5.293 0 50 FKAA COc1ccc2c(c1)-c1c(sn(-c3cccc(C)c3)c1=S)C(C)(C)N2 677459 SJPVHKWXOMZAJU-UHFFFAOYSA-N 368.527 5.913 0 50 FKAA O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 713724 ZCPXCLXSRHZOFN-IBGZPJMESA-N 369.251 5.765 0 50 FKAA c1ccc(-c2cnc(-c3ccc(-c4cnc(-c5ccccc5)o4)cc3)o2)cc1 726069 FSNQFQBZCXSROE-UHFFFAOYSA-N 364.404 6.331 0 50 FKAA Cc1nc2ccc(NC(=S)Nc3cccc4ccccc34)cc2nc1C 1191894 MXPGRHLALIJGFJ-UHFFFAOYSA-N 358.470 5.209 0 50 FKAA Clc1ccc([C@@H](c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 1665672 CVUGPAFCQJIYDT-ZDUSSCGKSA-N 354.491 6.496 0 50 FKAA biogenic,in-vitro O=c1cc(-c2ccco2)oc2ccc(OCc3ccccc3Cl)cc12 1978208 YOWCJXOVDOAXEX-UHFFFAOYSA-N 352.773 5.285 0 50 FKAA C[C@@H]1CCc2c(C(=O)Nc3ncc(Cc4ccccc4)s3)csc2C1 2861807 ISKDMWKMUJCXKX-CYBMUJFWSA-N 368.527 5.173 0 50 FKAA Cc1ccc(C)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 2991915 XXJMGUIEQGOIHI-HMMYKYKNSA-N 361.872 6.136 0 50 FKAA C(=C/CSc1cccc2cccnc12)\CSc1cccc2cccnc12 4891974 NDWFNCWBBTZOQZ-OWOJBTEDSA-N 374.534 6.224 0 50 FKAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 4910768 YHYDOKMISFJUSW-INIZCTEOSA-N 367.489 5.100 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 19800216 DTEROEPXHJMAAB-FXAWDEMLSA-N 350.418 5.130 0 50 FKAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C\c1ccccc1 22108463 YZUDNJRBAQIQNX-OWBHPGMISA-N 370.477 5.924 0 50 FKAA Cc1cccc(N[C@@H](c2ccc3ccc(C)nc3c2)c2ccccc2F)n1 68675251 FUOXBZISWPXQRR-QHCPKHFHSA-N 357.432 5.587 0 50 FKAA CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2c3ccc4c(c3CC[C@@]21C)CCCC4 71775188 VLVSPITURLTIAR-VYZHEGBNSA-N 366.633 7.720 0 50 FKAA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)o1 755712 YSXDLANDMVXMIR-QGZVFWFLSA-N 369.467 5.073 0 50 FKAA Fc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 951375 OBAURJSGVNPFAW-UHFFFAOYSA-N 355.825 5.894 0 50 FKAA CC1(C)Nc2ccccc2-c2c1sn(-c1cccc(Cl)c1)c2=S 1196185 ZVFNFVAAWXGHHC-UHFFFAOYSA-N 358.919 6.249 0 50 FKAA CCCCOc1ccc(OC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1 2176371 UEEJVQMODZRKAB-UHFFFAOYSA-N 372.420 5.296 0 50 FKAA CC[C@@H](C)c1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 2526063 LIPSTZJOPWNOMD-GFCCVEGCSA-N 353.849 6.075 0 50 FKAA C[C@@H](CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1)c1ccccc1 15008481 GFGRSSQONNCQAL-FXAWDEMLSA-N 363.480 5.199 0 50 FKAA Cc1ccc(OC(=S)O[C@H]2CC[C@]3(C)CC(C)(C)[C@H]4CCC(=O)[C@@]243)cc1 71786165 QXYZYMINPOJJFH-XNKSBNDBSA-N 372.530 5.239 0 50 FKAA CCOc1ccccc1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 754774 DWZQCYYAMNHMIJ-HXUWFJFHSA-N 357.453 5.030 0 50 FKAA COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccccc4)cc3n2)cc1 1040248 GIKTZGVVSNWPRJ-UHFFFAOYSA-N 369.346 5.091 0 50 FKAA Cc1cccc(OCc2nc(Cc3ccc(Cl)cc3Cl)no2)c1C 1120940 YZXUFYLTNYNJGN-UHFFFAOYSA-N 363.244 5.163 0 50 FKAA CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1 1489997 YSUBLPUJDOWYDP-UHFFFAOYSA-N 371.383 5.317 0 50 FKAA in-vitro Cc1ccc(SCCNC(=S)Nc2ccc(Cl)cc2C)cc1 2783966 LYLQNMLHBOULPP-UHFFFAOYSA-N 350.940 5.036 0 50 FKAA CC(C)(C)c1cc(CN2CCc3ccccc3C2)cc(C(C)(C)C)c1O 2811103 AWNSYDNIYDCHHU-UHFFFAOYSA-N 351.534 5.546 0 50 FKAA C[C@@H](CCc1ccc(O)cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 2894087 QLPAJZWONBXDTG-GAJHUEQPSA-N 365.904 5.746 0 50 FKAA COc1cc(C(C)(C)C)cc(C(C)(C)C)c1OC(=O)Nc1ccccc1 2973407 OAIRQDIIXJALDV-UHFFFAOYSA-N 355.478 5.901 0 50 FKAA c1ccc(-c2ccc([C@@H](c3ccccc3)n3nnc4ccccc43)cc2)cc1 4819214 ILNRMBZVPZHGNF-RUZDIDTESA-N 361.448 5.736 0 50 FKAA Cc1cccc2c(C(=O)N3CCCCC3)cc(-c3ccc(Cl)cc3)nc12 5943112 YJXIUXXUJWCOCJ-UHFFFAOYSA-N 364.876 5.490 0 50 FKAA CC[C@H](NC(=O)Nc1cc(Cl)ccc1OC)c1ccc(Cl)cc1 13328978 NNYWMQDIAFZGQV-AWEZNQCLSA-N 353.249 5.275 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 253497612 XIIAYQZJNBULGD-JJNQFABQSA-N 372.681 8.498 0 50 FKAA biogenic CC1(C)CC[C@H](NC(=O)CCC(=O)c2cccs2)[C@H](c2ccccc2)C1 1875329277 OGIYOVLDRPHJEF-ROUUACIJSA-N 369.530 5.190 0 50 FKAA COc1ccc(Cl)cc1NC(=O)N(C1CCCCC1)C1CCCCC1 641148 QFBHFMHHCBLSJX-UHFFFAOYSA-N 364.917 5.848 0 50 FKAA O=C(OCC(F)(F)F)c1cccc(COc2cccc3ccccc23)c1 672820 VTWFLFTYQAERIO-UHFFFAOYSA-N 360.331 5.138 0 50 FKAA COC(=O)c1ccc(CSc2ccc(Oc3ccccc3)cc2)cc1 754713 UAPFWNPNIMHVHB-UHFFFAOYSA-N 350.439 5.558 0 50 FKAA Cc1cc(OCC(=O)Nc2nc(-c3ccccc3)cs2)ccc1C(C)C 946938 KKUGDGWWCSDTHT-UHFFFAOYSA-N 366.486 5.259 0 50 FKAA O=C(c1cc2ccccc2oc1=O)N1c2ccccc2Sc2ccccc21 949339 BHBVXAYARHGVFR-UHFFFAOYSA-N 371.417 5.236 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4ccccc4C)c3)nc2c1 1085427 COZMNJXKYBNPJZ-UHFFFAOYSA-N 356.425 5.618 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 1177175 MUYYNAYHCGXHNT-UHFFFAOYSA-N 369.468 5.780 0 50 FKAA COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2F)cc1 5018244 YIFOMAIJCKQCII-JOCHJYFZSA-N 364.395 5.329 0 50 FKAA O=C(CCC1CCCCC1)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1 6668469 RTKFXXOESJUJTC-UHFFFAOYSA-N 367.445 5.507 0 50 FKAA Cc1ccc(N[C@H]2CCCN(C(=O)Nc3c(C)cccc3C)C2)cc1C 12297762 QYVQUCYJUSUWPZ-FQEVSTJZSA-N 351.494 5.029 0 50 FKAA COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@]12C 39944698 OZFUSVFBHIPUTK-UWCIMTLZSA-N 370.577 6.177 0 50 FKAA CC[C@H](c1cc(C)ccn1)n1cnc(-c2ccccc2)c1-c1cccnc1 65381798 QJTXNFGUCKOCGF-OAQYLSRUSA-N 354.457 5.315 0 50 FKAA C[C@@H](CC1=CCCCC1)Nc1ccc2c(c1)CCC(=O)N2CC1CCCC1 2325817612 GFGUMNHZSPCROA-SFHVURJKSA-N 366.549 5.847 0 50 FKAA CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1Br 678803 RLVPVLARSAMBJP-UHFFFAOYSA-N 362.267 5.025 0 50 FKAA O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 681003 VDGWEZJPEPIPLK-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA S=c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)c2c1CCCC2 753670 BHSXYTJPYXGEKE-UHFFFAOYSA-N 352.890 5.801 0 50 FKAA COc1ccccc1CN1CCCn2c3c(c4cc(C)ccc42)CCC[C@@H]31 1187734 YAUIRFZQVLKFDP-QFIPXVFZSA-N 360.501 5.242 0 50 FKAA CCc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 2864124 TWBSLSNRKQTOPL-UHFFFAOYSA-N 358.466 5.778 0 50 FKAA Cc1c(Cl)cccc1NC(=O)c1ccc(OCc2ccccc2)cc1 2970431 ZKIGAAOLJVDDPM-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)o1 5441844 PFBOFCQINQFHFV-LJQANCHMSA-N 363.438 5.012 0 50 FKAA biogenic COc1cccc([C@@H]2CCCCN2Cc2nc(-c3ccsc3)oc2C)c1 12075954 JEGBYQFSAPDPEL-FQEVSTJZSA-N 368.502 5.447 0 50 FKAA O=C(c1cccc2ccccc12)P(C1CCCCC1)C1CCCCC1 86012915 IWXVVFSWIQVNBT-UHFFFAOYSA-N 352.458 7.127 0 50 FKAA Cc1ccc(-c2noc([C@H](C)N3CCC[C@H]3c3ccsc3)n2)cc1F 248074515 AXAHUDQRZZTBHP-GUYCJALGSA-N 357.454 5.144 0 50 FKAA CC(C)[C@H]1C[C@H](CN[C@@H](C)c2cc(Cl)ccc2OC(F)F)CCO1 1875329639 AYHXYZCCVGGDAK-OGHNNQOOSA-N 361.860 5.043 0 50 FKAA O=S(=O)(Nc1ccccc1-c1cccs1)c1sccc1C1CC1 2325866658 UXOXLMTYJMJPLM-UHFFFAOYSA-N 361.513 5.155 0 50 FKAA CCc1ccc(-c2csc(Nc3cc(OC)c(Cl)cc3OC)n2)cc1 1194429 BPCISBUZQBVOFD-UHFFFAOYSA-N 374.893 5.787 0 50 FKAA Cc1ccc2nc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)oc2c1 1203986 LIWAUUWCBVCALB-UHFFFAOYSA-N 368.392 5.802 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccc2)s1 1301147 UKKBWUPSXQULLZ-UHFFFAOYSA-N 365.245 5.156 0 50 FKAA Cc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(C)c1 1768763 UKPQEUSIJBWCIF-UHFFFAOYSA-N 373.496 5.647 0 50 FKAA CCCCOC(=O)c1ccc(Nc2ncnc3sc(C)c(C)c23)cc1 1776859 SXABNQZDJWRGJS-UHFFFAOYSA-N 355.463 5.009 0 50 FKAA CCCCOc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 1778618 WRXLGLAJNLUYRQ-UHFFFAOYSA-N 372.266 5.315 0 50 FKAA CCc1cccc(CC)c1NC(=O)CCCOc1ccc(Cl)cc1C 2085643 JGYBGVIRRQWTGZ-UHFFFAOYSA-N 359.897 5.571 0 50 FKAA CC(C)(C)c1ccc(SC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2165537 NHFABWYNLXNQAW-UHFFFAOYSA-N 354.302 6.615 0 50 FKAA Cc1ccc(C(=O)NCCOc2ccccc2-c2ccccc2)cc1Cl 2838793 DNQBHOCQPNVJMY-UHFFFAOYSA-N 365.860 5.124 0 50 FKAA CC(=O)Nc1c(C)cc(C(C)(C)c2cc(C)c(NC(C)=O)c(C)c2)cc1C 3115688 HEGWKHYNFDMLRH-UHFFFAOYSA-N 366.505 5.163 0 50 FKAA Cc1ccc(/C=C/C2=NN(Cc3ccc(Cl)c(Cl)c3)C(=O)CC2)cc1 4041723 NMTITZDQZJDQCM-SOFGYWHQSA-N 373.283 5.494 0 50 FKAA COc1cc(C)ccc1OCCCCOc1ccc(Br)cc1 4701802 ZHFGXOSFFSBKJJ-UHFFFAOYSA-N 365.267 5.004 0 50 FKAA c1ccc(-c2ccc([C@H](c3ccccc3)n3nnc4ccccc43)cc2)cc1 4819215 ILNRMBZVPZHGNF-VWLOTQADSA-N 361.448 5.736 0 50 FKAA COc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c(OC)c1 5062187 TWTZASGDVCDBPM-UHFFFAOYSA-N 362.454 5.489 0 50 FKAA Cc1ccccc1-c1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc2n1 18102006 FBRAENZVFVJJQV-HDICACEKSA-N 358.485 5.613 0 50 FKAA CC1=C(CCN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)C(C)(C)CCC1 22587896 WWZLJBPOGJFEEW-PKTZIBPZSA-N 358.614 5.632 0 50 FKAA O=C(c1ccc(Br)o1)N(C1CCCCC1)C1CCCCC1 993563 FSNIHPNJDYNGOO-UHFFFAOYSA-N 354.288 5.150 0 50 FKAA Cc1cccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)c1 1127404 URVREDSCKFWKNA-DLBZAZTESA-N 359.260 5.040 0 50 FKAA CC(C)(C)c1cc(-c2ccc(Cl)cc2)n(-c2cccc3cccnc23)n1 2478684 KMDQKUDABRARQS-UHFFFAOYSA-N 361.876 6.038 0 50 FKAA CC(C)c1cc(Br)ccc1OCCCn1cnc2ccccc21 2868561 NDOQSVZTMRUFRS-UHFFFAOYSA-N 373.294 5.391 0 50 FKAA CC(C)c1cc(C(C)C)c(NC(=O)C[C@H](C)c2ccccc2)c(C(C)C)c1 2963323 IPAXESYTGDRBAL-IBGZPJMESA-N 365.561 7.189 0 50 FKAA Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccs4)c3C)nc2c1 2979354 HFXJPHGWOGJYCF-UHFFFAOYSA-N 362.454 5.734 0 50 FKAA Cc1ccc(NC(=O)CCc2ccc(-c3cccc(Cl)c3)o2)c(C)c1 4541876 DIXSBKLYNHJOOB-UHFFFAOYSA-N 353.849 5.788 0 50 FKAA C[C@H](c1ccccc1)n1c(-c2ccccc2)cc(-c2ccccc2)cc1=O 5374678 HMTATYWDQSEYST-LJQANCHMSA-N 351.449 5.792 0 50 FKAA C[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl 13329855 BNHMYEDJUWNBFA-GFCCVEGCSA-N 359.256 6.029 0 50 FKAA Cc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccccc1C 19794777 ZHISBWCIEZEKPW-UHFFFAOYSA-N 373.496 5.277 0 50 FKAA CCCCCC1CCC(c2ccc(I)cc2)CC1 49588470 ZVJXAYCOQJDVMP-UHFFFAOYSA-N 356.291 6.145 0 50 FKAA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cn1 245239468 JHTFPRFKUMCPIU-HFAXRPMFSA-N 368.565 5.207 0 50 FKAA COc1ccccc1Oc1ccc(NC(=O)c2ccc3oc(C)cc3c2)cn1 824827564 JGRNNOGFGDPBNS-UHFFFAOYSA-N 374.396 5.189 0 50 FKAA CO[C@H]1CCC[C@@H](Cc2nc(-c3ccc(C)cc3)nn2CC(C)(C)C)C1 1875349070 LPTZUXCMKUKEBJ-MJGOQNOKSA-N 355.526 5.047 0 50 FKAA C[C@@H](NC(=O)c1cc2ccncc2cc1F)c1cccc(Cl)c1Cl 1875359012 QRMWPMCSRFUGEI-SNVBAGLBSA-N 363.219 5.172 0 50 FKAA Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2Cl)[C@H]3CCC1 653245 GZPQXFOTRMOWQP-FQEVSTJZSA-N 364.876 5.137 0 50 FKAA Cc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)n1 669418 JOWFSCOYPLHQCB-UHFFFAOYSA-N 359.454 5.227 0 50 FKAA CC(=O)c1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 866608 VDARIGPSVIJLOT-WLXPTCNVSA-N 367.448 5.125 0 50 FKAA FC(F)(F)c1ccc(Oc2ccc3ccccc3c2Br)nc1 1140660 FWOVLJRIVPOLLS-UHFFFAOYSA-N 368.152 5.808 0 50 FKAA O=C(Nc1ccccc1Cl)c1cccc2c(Br)cccc12 1161487 KZISMCMQMWMPAZ-UHFFFAOYSA-N 360.638 5.508 0 50 FKAA Cc1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C 2813725 XAIQJKXGBMPIMN-HMMYKYKNSA-N 361.872 6.136 0 50 FKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 2837904 PUZBQFZUVOFGBV-HNNXBMFYSA-N 367.901 6.126 0 50 FKAA C/C(=C\c1ccccc1)c1nc(-c2ccccc2O)n(-c2ccccc2)n1 5060503 PRUVRYQCVXFJOA-WUKNDPDISA-N 353.425 5.200 0 50 FKAA COc1ccc(-c2nc(CN(C)[C@H]3CCCc4ccccc43)c(C)o2)cc1 11818066 VOPXOBCKUKARBL-QFIPXVFZSA-N 362.473 5.168 0 50 FKAA c1ccc(Cn2ccc(-c3cccc(-c4cncc5ccccc45)c3)n2)nc1 23619183 IRIFLFKBGQLXRP-UHFFFAOYSA-N 362.436 5.209 0 50 FKAA Cc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(Cc3ccccc3)c2n1 657234 MDVBGCRYBILPLB-UHFFFAOYSA-N 367.374 5.474 0 50 FKAA CC1CCN(C(=S)c2cn(Cc3ccccc3F)c3ccccc23)CC1 666933 PRKHOEQTRRWUGV-UHFFFAOYSA-N 366.505 5.236 0 50 FKAA aggregator Fc1ccc(CSc2ncnc3sc(-c4ccccc4)cc23)cc1 952447 JRIKWWHNUFCZAA-UHFFFAOYSA-N 352.459 5.790 0 50 FKAA Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N1CCCC1 996050 CEXNRGAIGPOAHO-UHFFFAOYSA-N 350.849 5.100 0 50 FKAA CC(C)(C)NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1 999766 LSRYANQGVNOHBI-UHFFFAOYSA-N 352.261 5.101 0 50 FKAA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc(F)c1 1768650 AWGOEBGENGKRET-VWLOTQADSA-N 373.471 5.961 0 50 FKAA CC(C)c1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 2570964 BCRWKEFAVYSUHX-GOSISDBHSA-N 362.878 5.282 0 50 FKAA COc1ccc2ccccc2c1[C@@H](c1ccccc1)n1nnc2ccccc21 5361493 PSFGQDAWPPAWJT-XMMPIXPASA-N 365.436 5.231 0 50 FKAA CC1(C)C2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(C)O)[C@]2(C)Cc2cnoc21 5456483 AXLOCHLTNQDFFS-DMTRFCGMSA-N 355.522 5.038 0 50 FKAA in-vivo COc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)cnn23)cc1 7572465 GYNBCUCGMQWDCE-UHFFFAOYSA-N 364.836 5.110 0 50 FKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13616439 VRNCUACSHNHYIW-MJGOQNOKSA-N 361.272 5.663 0 50 FKAA CC(C)c1cccc(C(C)C)c1C(=O)c1c(C(C)C)cccc1C(C)C 44559959 BHHOXBINLYBZIS-UHFFFAOYSA-N 350.546 7.411 0 50 FKAA O=C(c1c(F)cccc1Cl)N1CCC[C@H](CCc2ccc(F)cc2)C1 71752607 IOEOVIVOFPDNMK-OAHLLOKOSA-N 363.835 5.103 0 50 FKAA Brc1ccc(OCc2ccccc2)cc1OCc1ccncc1 498050538 LZRBQDMZEFXAAV-UHFFFAOYSA-N 370.246 5.002 0 50 FKAA CC(C)C[C@H](F)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 1875341119 HEAVCVZCMIRCFP-SFHVURJKSA-N 370.399 5.489 0 50 FKAA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccncc1 1181782 TXZRHQPSNFCCHL-XMMPIXPASA-N 356.469 5.217 0 50 FKAA CC(C)(C)c1ccc(Oc2ccc(Br)cc2)c(C(C)(C)C)c1 2167544 NVZDOGPBESQTJV-UHFFFAOYSA-N 361.323 6.836 0 50 FKAA O=C(CCNc1ccc(F)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2519790 KVMVXWVCHPXNJK-UHFFFAOYSA-N 353.824 5.831 0 50 FKAA CCOc1ccccc1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2873028 FHUYTMFTINSOQW-UHFFFAOYSA-N 372.877 5.038 0 50 FKAA COc1cc2ccccc2cc1C(=O)Nc1ccc(CN2CCCCC2)cc1 4724001 YEDUZQUXRTYECW-UHFFFAOYSA-N 374.484 5.087 0 50 FKAA CC[C@H](C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 22016856 CIOHIPIIOUWOMO-IBGZPJMESA-N 374.553 5.241 0 50 FKAA biogenic c1ccc2c(CN3CCC(c4nccn4CC4CCC4)CC3)cccc2c1 91754588 ZRNYYSKGVXNZGH-UHFFFAOYSA-N 359.517 5.216 0 50 FKAA CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1F)C1CCCC1 396137376 COQSPBYERNBGKG-UHFFFAOYSA-N 372.278 5.268 0 50 FKAA Cc1cc(N2CCCC[C@H]2C)ccc1N[C@@H](C)c1ccc(N(C)C)nc1 1875341647 ASWQJGFDKGZEES-MSOLQXFVSA-N 352.526 5.008 0 50 FKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)[C@H](C)Oc1ccccc1 1174812 VFCVLYHQYHZJPA-INIZCTEOSA-N 372.424 5.209 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 1752704 OMYNNCIMQXROCT-UHFFFAOYSA-N 371.362 6.093 0 50 FKAA O=C1c2ccccc2C(=Cc2ccc(Cl)cc2Cl)c2ccccc21 2162193 JRXAZXIRBQEOCG-UHFFFAOYSA-N 351.232 6.127 0 50 FKAA CC(C)CC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)CC(C)C)ccc1-2 4680519 KCSDYHQLYVWVAX-UHFFFAOYSA-N 364.489 5.227 0 50 FKAA C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 4810913 OZBRFERMTUFVCF-INIZCTEOSA-N 365.860 5.410 0 50 FKAA CC(C)CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 4821015 TYZCROTZKXSFGJ-UHFFFAOYSA-N 352.478 5.221 0 50 FKAA Clc1ccc(-c2n[nH]c(SCc3ccccc3Cl)n2)c(Cl)c1 5998408 RMJPHTMEAKMICW-UHFFFAOYSA-N 370.692 5.724 0 50 FKAA Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1Cl)CCCCC2 6234893 AIILCKGPSCAERP-UHFFFAOYSA-N 355.290 5.158 0 50 FKAA CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)C(=O)O 8689974 CHQZBIVWDKADIA-OEIFXAAASA-N 353.547 5.613 0 50 FKAA CC(C)OP(=O)(OC(C)C)[C@@H](C)Nc1ccc(Cl)c(Cl)c1 22014811 XTEHMGWZWFFNDA-NSHDSACASA-N 354.214 5.794 0 50 FKAA Cc1ccc(-c2cccc(NC(=O)N(C)CCC[C@H]3CCCO3)c2)cc1 97819453 JRFHZDNYXSJMEQ-NRFANRHFSA-N 352.478 5.085 0 50 FKAA COc1ccc(NC(=O)[C@@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)cc1 762979 PPHQSRNPYMBDFG-QHCPKHFHSA-N 371.480 5.257 0 50 FKAA CCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2C)c1 1004435 MRHKUJUDPHCEGY-UHFFFAOYSA-N 371.440 5.189 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1C 1125340 YEJPRHLUPSAZGP-UHFFFAOYSA-N 369.424 5.273 0 50 FKAA O=c1c2c([nH]c(=S)n1C1CCCC1)-c1ccccc1CC21CCCC1 1822505 AMUUVQVXQAWZFR-UHFFFAOYSA-N 352.503 5.056 0 50 FKAA CCNc1ccccc1C(=O)O[C@H](C(=O)c1ccc(C)cc1)c1ccccc1 2751296 FXEPJWLVYMTNJX-QHCPKHFHSA-N 373.452 5.208 0 50 FKAA Cc1ccc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 2848415 DWOLFYCITLYFJZ-UHFFFAOYSA-N 363.482 5.305 0 50 FKAA CCN(CC)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)c(C)c1 2854622 DXYXDDSUGWTDHG-UHFFFAOYSA-N 368.521 5.291 0 50 FKAA O=C(Nc1cccc(Cl)c1)Oc1cc(Cl)c(Cl)cc1Cl 4794890 IMABSOXCBKDBFV-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA CC(C)C(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 8673983 RHJZFOLTHSVILE-UHFFFAOYSA-N 372.515 5.062 0 50 FKAA CC(C)(C)[C@@H]1CCc2sc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2C1 17076147 FYOFKRPANDNVRL-XJEJZOBISA-N 371.590 5.454 0 50 FKAA COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCC[C@H]23)cc1Br 35360449 JLCYZTCXNIKYLE-ZNZDAUKMSA-N 374.278 5.011 0 50 FKAA CC1=NN(c2nc3ccccc3s2)C(=O)[C@@H]1Cc1cccc2ccccc12 96300005 OFNBSFMFHMXOJD-GOSISDBHSA-N 371.465 5.031 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 245377596 NBWACJFKJHKFSM-GMAHTHKFSA-N 374.871 5.891 0 50 FKAA CC(C)c1ccccc1-c1cccc(C(=O)N(C)[C@H](C)c2ccncn2)c1 426513649 MGAUQQDMUFOLDZ-QGZVFWFLSA-N 359.473 5.100 0 50 FKAA c1ccc([C@@H]2N=C(c3ccc4ccccc4n3)O[C@@H]2c2ccccc2)cc1 1857524199 RLOADAOBQOTJID-XZOQPEGZSA-N 350.421 5.494 0 50 FKAA COc1nc2ccccc2cc1[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1F 2325828054 XOJOTSACYFFCBI-QWHCGFSZSA-N 358.844 5.448 0 50 FKAA Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(Cl)cc3Cl)sc2n1 950132 DJVMURBXJPGHCI-UHFFFAOYSA-N 366.273 5.054 0 50 FKAA CCOc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1120564 WGJWPRAAHVMNPD-UHFFFAOYSA-N 358.747 5.402 0 50 FKAA Cc1ccccc1NC[C@H](O)CN1c2ccccc2Sc2ccccc21 1169800 WMAYWOZRUHADOV-KRWDZBQOSA-N 362.498 5.071 0 50 FKAA CCOc1cc(C=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1174027 KTCVEKOTIYJHGZ-UHFFFAOYSA-N 359.636 5.437 0 50 FKAA S=C(Nc1ccc(Nc2ccccc2)cc1)N1CCc2ccccc2C1 2841094 UOTQBKRMDCUUTI-UHFFFAOYSA-N 359.498 5.185 0 50 FKAA O=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 5014200 SDMRJNRLYVABFY-NRFANRHFSA-N 360.844 5.332 0 50 FKAA COc1cc(/C=C/C(=O)O)ccc1OCCCCSc1ccc(C)cc1 5683683 IOLNHRREQKGLSE-XYOKQWHBSA-N 372.486 5.053 0 50 FKAA C[C@H](COC1CCCCC1)NCCC(c1ccccc1)c1ccccc1 6852871 JUMQLZDDBWYNFW-HXUWFJFHSA-N 351.534 5.536 0 50 FKAA CCc1cc(C(F)(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 20605349 LZIZUHQGQHPQAR-UHFFFAOYSA-N 351.347 5.264 0 50 FKAA CNCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Br 234423090 LBSMXFUSYVESEJ-UHFFFAOYSA-N 361.066 5.268 0 50 FKAA C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2cccs2)o1 254846123 JREMBPQYEKFAAR-MNGBASNOSA-N 367.470 5.300 0 50 FKAA CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccc3ccnc(O)c3c2)cc1 426515459 CBVMOVSBUTZIFM-FQEVSTJZSA-N 360.457 5.012 0 50 FKAA Cc1ccc(Cc2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)s1 1875303694 JGEYKBIMDNTYMN-UHFFFAOYSA-N 370.474 5.472 0 50 FKAA CCC[C@H](CC1CCCC1)C(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 2325817634 IYBHCNIKXPIWNF-ILBGXUMGSA-N 367.577 6.068 0 50 FKAA CCc1ccc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)cc1 1147543 ANGYYZPOAHEEBQ-YIQFJJPYSA-N 367.492 5.875 0 50 FKAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1154836 HRFURFTYSCGJJW-UHFFFAOYSA-N 369.679 5.499 0 50 FKAA Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 1219986 VCVANFBOPMOOCL-UHFFFAOYSA-N 374.465 5.289 0 50 FKAA Cc1cccc(N2C(=N)S/C(=C\c3c(C)[nH]c4ccccc34)C2=O)c1C 4658797 NTCRMEPZAFVNOA-AXLQFZPTSA-N 361.470 5.149 0 50 FKAA CCOc1ccccc1-c1nc(CN(C)[C@H](C)c2nc(C)cs2)c(C)o1 12762543 WZJJDBNVWBZJTB-CQSZACIVSA-N 371.506 5.007 0 50 FKAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccc(C)cc3C)c2C)c1 13331437 CCHJVTJVGRYOGE-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA Cc1cc(NCc2ccccc2)n2nc(C)c(-c3ccccc3Cl)c2n1 23114918 VXLYQYXHLIIKGI-UHFFFAOYSA-N 362.864 5.279 0 50 FKAA Cc1cc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c(Cl)cc1F 2325824071 OAXAMGVQADCOSY-UHFFFAOYSA-N 354.237 5.125 0 50 FKAA CCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(CC)cc3)c2)cc1 631079 UEUPWKVBZGHMHB-UHFFFAOYSA-N 372.468 5.316 0 50 FKAA O=C(Nc1ccccc1)c1c2c(nc3ccccc13)-c1ccccc1CC2 709553 QBWCNGUZIXUAER-UHFFFAOYSA-N 350.421 5.253 0 50 FKAA CN(C(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccccc1 812299 XNEZJUODBSDRCA-UHFFFAOYSA-N 357.409 5.288 0 50 FKAA Cc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)c1 1149216 GGYVLGIQDJTHDN-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 1902750 NRPGQSGLJNRKPL-UHFFFAOYSA-N 370.832 5.051 0 50 FKAA biogenic Cc1ccc(-[n+]2c(-c3ccc(OC(F)F)cc3)cn3c2CCCCC3)cc1 2387582 LDAYYDOJDBUSNB-UHFFFAOYSA-N 369.435 5.068 0 50 FKAA Cc1sc2ncnc(SCc3ccc(C(=O)OC(C)C)cc3)c2c1C 2841923 FDIMVOAHCKLPQL-UHFFFAOYSA-N 372.515 5.166 0 50 FKAA CCCCc1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1 3002861 GAYSAYJLJOQHBU-UHFFFAOYSA-N 366.486 5.211 0 50 FKAA Fc1cccc(Cl)c1Cc1nnc(S)n1-c1cccc2ccccc12 6414417 MHDHMGPHVPXBPU-UHFFFAOYSA-N 369.852 5.093 0 50 FKAA CCC[C@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN21 6871058 GQNDDTQIWUTRIB-ICSRJNTNSA-N 358.844 5.539 0 50 FKAA CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccc(C)cc1 17074486 OSJIGECXBXKYQW-UHFFFAOYSA-N 361.873 5.358 0 50 FKAA CC(C)n1ccnc1[C@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 95384125 VHHBGJYOYSIKFE-INIZCTEOSA-N 354.885 5.050 0 50 FKAA COc1ccc(Br)cc1CNc1ccc(Cl)c(Cl)c1 1110043 ROHXLRUCRZTGCN-UHFFFAOYSA-N 361.066 5.377 0 50 FKAA O=C(Nc1cccc(CCc2ccccn2)c1)c1cc(F)c(F)cc1Cl 1159389 IDZXWFBMQRUZSL-UHFFFAOYSA-N 372.802 5.051 0 50 FKAA CCOc1cccc(C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)c1 1187878 RACGIFARWSMGHB-UHFFFAOYSA-N 352.459 5.024 0 50 FKAA O=C(Nc1ccc(Cl)cc1)[C@H](Sc1ccccc1)c1ccccc1 1217548 SQWISAIHRXFPIA-LJQANCHMSA-N 353.874 5.812 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3cccc(C)c3n2)cc1C 1460242 IGIBCTXGKREDQP-UHFFFAOYSA-N 372.512 5.699 0 50 FKAA CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 1787243 YPABQTJICOLADG-GOSISDBHSA-N 359.469 5.630 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)c1cccc(OCc2ccccc2)c1 2969782 BKLYUOZJDIWVNM-UHFFFAOYSA-N 371.358 5.537 0 50 FKAA c1ccc(COc2cccc(CN3CCc4c([nH]c5ccccc45)C3)c2)cc1 6667507 RROFWGLSOWNZHT-UHFFFAOYSA-N 368.480 5.305 0 50 FKAA O=C(C1=CCCC1)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc23)C1 15067609 PKSRRVVYPKILAF-IBGZPJMESA-N 371.484 5.046 0 50 FKAA CC1(C)c2cc(Br)ccc2-c2ccc(Br)cc21 32098758 LONBOJIXBFUBKQ-UHFFFAOYSA-N 352.069 5.518 0 50 FKAA in-vitro Cc1cccc(NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccoc2)c1 65394309 SYIKYYRUDPBWFP-UHFFFAOYSA-N 371.440 5.147 0 50 FKAA Cc1ccc(C(=O)c2cn(CCCCCF)c3ccccc23)c2ccccc12 77031500 IGBHZHCGWLHBAE-UHFFFAOYSA-N 373.471 6.474 0 50 FKAA in-vitro OC1=C[C@@]2(CCC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 100671004 ATYUUWKZMABGCU-TZIWHRDSSA-N 366.848 5.206 0 50 FKAA COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 677515 IVGKEVUOLNZHMC-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA biogenic Cc1cc(C2=CC(C)(C)NC(C)(C)C2)sc1C1=CC(C)(C)NC(C)(C)C1 754178 FJNPYXZRGYCHAG-UHFFFAOYSA-N 372.622 5.924 0 50 FKAA Cc1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 940869 HWCVGIQQBBGXMO-UHFFFAOYSA-N 359.454 5.916 0 50 FKAA O=C(Cc1c(F)cccc1Cl)Nc1ccccc1Sc1ccccc1 1056887 WHOFFZLSKLBLMI-UHFFFAOYSA-N 371.864 5.812 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)Nc2ccccc2OC(F)F)cc1 1120487 OINKXILLHNLQNL-GFCCVEGCSA-N 350.434 5.610 0 50 FKAA Cc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1Br 1158403 UQVNKWQOHTXGRU-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA CCOC(=O)c1ccc(OCCOc2ccc(C(C)(C)CC)cc2)cc1 1727249 QVEXJNHFWKESRA-UHFFFAOYSA-N 356.462 5.009 0 50 FKAA COc1ccccc1-c1nc2c(C(C)(C)C)cc(C(C)(C)C)c(O)c2o1 2945690 FKTGVUBEISOOCX-UHFFFAOYSA-N 353.462 5.804 0 50 FKAA CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 4978736 KAELJZUHILUFCV-UHFFFAOYSA-N 365.885 5.885 0 50 FKAA CCCC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 5107212 GGTKEOQOUUTIBO-UHFFFAOYSA-N 372.468 5.196 0 50 FKAA Clc1ccccc1-c1cncnc1[C@@H]1CCCN(Cc2ccsc2)C1 15005659 XPZMQVUOGIBHPF-MRXNPFEDSA-N 369.921 5.238 0 50 FKAA FC(F)(F)c1ccc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)O2)nc1 1857775603 QFLUMJQUCAPCRJ-RBUKOAKNSA-N 368.358 5.360 0 50 FKAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 656087 HXMNUIAJXPUSFS-JTQLQIEISA-N 358.652 5.361 0 50 FKAA C[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)C1 997596 KUDSEAUBYSAVQV-HNNXBMFYSA-N 364.876 5.427 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 1079611 AROJLGWNFJMTMS-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA CCN(CC)C(=O)C[C@@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 1118283 JNLFJBMLFAJVIC-QFIPXVFZSA-N 353.506 5.173 0 50 FKAA Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 2082038 OHLQWVPIQVXJFS-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA Cc1nn(-c2ccccc2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 2733828 IGSHVBRVXULMOM-UHFFFAOYSA-N 371.337 5.554 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)NC1CCCCCCC1 2983216 CDWLVFHWTRNUMP-UHFFFAOYSA-N 358.309 5.382 0 50 FKAA CCCCc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 4542023 UUCWVOAWVAJLEA-UHFFFAOYSA-N 353.849 6.195 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 5741131 YZHSXKFSZDFZEL-UHFFFAOYSA-N 372.255 6.381 0 50 FKAA COc1cccc([C@H]2CCCCN2Cc2nc(-c3ccsc3)oc2C)c1 12075957 JEGBYQFSAPDPEL-HXUWFJFHSA-N 368.502 5.447 0 50 FKAA Cc1ncc(-c2c(-c3ccccc3)ncn2CCCc2ccncc2)s1 65385257 IQMWMCQXIFVQFQ-UHFFFAOYSA-N 360.486 5.010 0 50 FKAA COc1cc(OC)c(Cl)c(-c2ccc3nc(Cl)ncc3c2)c1Cl 218062970 KSRLAAQEDOJQDM-UHFFFAOYSA-N 369.635 5.274 0 50 FKAA COc1ccc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 245391980 SOLFGTIEYURABM-IXDBCEGASA-N 361.557 5.467 0 50 FKAA CC(C)N(C(=O)c1ccccc1-c1cc(C(F)(F)F)ccn1)C(C)C 534660520 UAGXMSISAUIWOP-UHFFFAOYSA-N 350.384 5.026 0 50 FKAA CO[C@@H]1CCC[C@@]12CCCN(c1ccnc3c(C(F)(F)F)cccc13)C2 1704332990 VFHYDUCNQYLZNX-MJGOQNOKSA-N 364.411 5.039 0 50 FKAA COCCN(Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@@H]1CC[C@H](C)C1 1875356906 RBMKUZUQUUVEQC-JKSUJKDBSA-N 364.599 5.030 0 50 FKAA O=C(Nc1cccc(Cl)c1)c1sc2cc(Cl)ccc2c1Cl 636985 QKEGWYKWBOCLBY-UHFFFAOYSA-N 356.661 6.114 0 50 FKAA CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 943699 PEUFUNHOMPFHAU-UHFFFAOYSA-N 363.432 5.169 0 50 FKAA Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2Cl)Nc2ncnn21 1111530 NYTZSXXJKUORDH-DLBZAZTESA-N 359.260 5.040 0 50 FKAA CC(=O)c1cccc(NC(=O)CSC2c3ccccc3-c3ccccc32)c1 1131401 QVGJCUNBPDTAIL-UHFFFAOYSA-N 373.477 5.331 0 50 FKAA CC(C)C(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl 1167139 HHCSOTIWUMKLGA-UHFFFAOYSA-N 356.853 5.866 0 50 FKAA CCCCN(Cc1ccccc1)Cc1ccc(-c2cccc(Cl)c2)o1 2497392 CHZVBFOKWWEAKQ-UHFFFAOYSA-N 353.893 6.402 0 50 FKAA CC(=O)c1cccc(NC(=O)Nc2ccccc2Sc2ccccc2)c1 2857272 OSKZZPICDIRWFC-UHFFFAOYSA-N 362.454 5.684 0 50 FKAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CNc1ccccc1F 2928725 KNDPRMWOPKCYOG-UHFFFAOYSA-N 361.416 6.168 0 50 FKAA Cc1ccc2ccccc2c1COc1ccc2c3c(c(=O)oc2c1)CCC3 2960415 FHRGQZPFEMVEBC-UHFFFAOYSA-N 356.421 5.322 0 50 FKAA CCSc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 4840383 UDIVNOAQTVBDNA-UHFFFAOYSA-N 354.500 5.098 0 50 FKAA Cc1ccccc1Cn1ccc(NC(=S)Nc2cc(Cl)ccc2C)n1 8571197 FAZGUNOVUHBSDA-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA COc1ccc(-c2nc(-c3cc(C)ccc3C)[nH]c2-c2ccccc2)cc1 13284535 ISHSWMQDPQQWCZ-UHFFFAOYSA-N 354.453 6.036 0 50 FKAA Cc1cc(Nc2ccc(C)c(C)c2)n2ncc(-c3ccccc3Cl)c2n1 27585587 YGLXGYGYMSKUGO-UHFFFAOYSA-N 362.864 5.719 0 50 FKAA CCCCC(=O)Nc1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1C 55393361 IKSJVPHLYLVTAU-IBGZPJMESA-N 352.478 5.256 0 50 FKAA COCc1nn2c(-c3ccc(F)cc3)ccnc2c1-c1cccc(Cl)c1 72119177 WGOJSVICDPGKMC-UHFFFAOYSA-N 367.811 5.002 0 50 FKAA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 147163366 JHTFPRFKUMCPIU-ZVRJQPJWSA-N 368.565 5.207 0 50 FKAA COc1cc2ccccc2c(-c2c(OC)c(OC)cc3ccccc23)c1OC 639026 VHXANEAXCLHPAD-UHFFFAOYSA-N 374.436 5.694 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccs2)nc2ccccc12 649828 SFGKUCLHDXBSRS-UHFFFAOYSA-N 364.857 5.869 0 50 FKAA COc1ccccc1C(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 726886 CJFOLOFQQNXUPX-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA CN(CCc1c[nH]c2ccc(OCc3ccccc3)cc12)Cc1ccccc1 2037694 YYZWLIHUCDJTCJ-UHFFFAOYSA-N 370.496 5.421 0 50 FKAA CSc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 13329947 VSSFBUIFDWWGOW-JTQLQIEISA-N 355.290 5.598 0 50 FKAA Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 1875256412 WVQMPDHFDPTDPS-QFIPXVFZSA-N 356.425 5.652 0 50 FKAA C[C@H](N[C@@H](C1CCCCC1)C1CCC1)c1cnc(-c2ccccn2)s1 2325827822 RBFQBTKYVDCWIN-YWZLYKJASA-N 355.551 5.605 0 50 FKAA O=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccco1)c1ccco1 851607 OZQADSSYCHRHBM-UHFFFAOYSA-N 372.380 5.044 0 50 FKAA CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1 851715 VBFUKXSHRMOKHM-QFIPXVFZSA-N 358.441 5.029 0 50 FKAA CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 1144142 FTIYJRRMRQCMLT-UHFFFAOYSA-N 362.454 5.932 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1cccc(OCc2ccccc2)c1 1158421 HQSXALQHNCOHPK-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA CC(C)(C)c1nc(Cl)c2ccccc2c1-c1cccc(C(F)(F)F)c1 2172353 YOSCURVCFACZOQ-UHFFFAOYSA-N 363.810 6.872 0 50 FKAA O=C(CCNc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccs1 4706782 HTOGUJPNSVVGAQ-UHFFFAOYSA-N 357.862 5.879 0 50 FKAA CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 245189304 OXCUPNWUHRJSMT-WGSAOQKQSA-N 368.492 6.899 0 50 FKAA in-vitro Cc1ncsc1CN(Cc1ccccc1)C(=O)NC1(CC(C)(C)C)CC1 827891118 ZPWOMHNNRNIMNQ-UHFFFAOYSA-N 371.550 5.132 0 50 FKAA C[C@@H](c1ccccc1C(=O)O)c1ccc(Br)c2ccccc12 1697547 GFWOBSUDGNGWGC-LBPRGKRZSA-N 355.231 5.452 0 50 FKAA CCOC(=O)c1cc(-c2ccc(Br)cc2)[nH]c1-c1ccccc1 2561997 UKQFMOLPXRFZKK-UHFFFAOYSA-N 370.246 5.288 0 50 FKAA CC1CCN(C(=O)c2cccc(COc3cccc4ccccc34)c2)CC1 6395577 BBWKBSUIOOILEV-UHFFFAOYSA-N 359.469 5.291 0 50 FKAA CCCC[C@@H](C(=O)c1cccs1)[C@@H](CCCC)C(=O)c1cccs1 25760268 JLKDAEGFZSFYSV-HZPDHXFCSA-N 362.560 6.488 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1ccccc1 169743322 SYUVAXDZVWPKSI-UHFFFAOYSA-N 367.165 5.743 0 50 FKAA CCCOc1ccc([C@@H](C)Nc2noc(-c3ccccc3)c2C(=O)O)cc1 1704305472 WMXUFPZVERYZEA-CQSZACIVSA-N 366.417 5.002 0 50 FKAA O=C(CCNc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1 969436 MMVLENAGSWIRGC-UHFFFAOYSA-N 350.849 5.011 0 50 FKAA O=C(Nc1c(F)cc(F)cc1Br)c1csc2ccccc12 1056297 YSNPNUNRZDDELS-UHFFFAOYSA-N 368.202 5.194 0 50 FKAA O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)NC1CCCCC1 1114008 AUJFZIFWXOSLGQ-SFHVURJKSA-N 357.881 5.017 0 50 FKAA CCC(=O)N(c1cccc(OC)c1)c1nc(-c2ccccc2)c(C)s1 1140736 FFJXSPWHPXLEPK-UHFFFAOYSA-N 352.459 5.202 0 50 FKAA O=C(CCNc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 2519810 SLPIPQKOUMXLDG-UHFFFAOYSA-N 373.077 5.441 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1ccccc1)O2 13511291 JRDLQYGIXLGAFV-YLJYHZDGSA-N 350.805 5.175 0 50 FKAA CC(=O)[C@@H](C(=O)c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 36129759 CCDDWUZRKQKEPO-FGZHOGPDSA-N 360.384 5.151 0 50 FKAA CC(C)n1ccnc1C1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1 91849227 OFWQNOQTFDUTJB-UHFFFAOYSA-N 373.500 5.151 0 50 FKAA C/C(O)=C/[C@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 102278146 ODABPDYNCJGXFG-MFTGZBNMSA-N 354.837 5.062 0 50 FKAA O=C(C[C@@H](c1ccc(Cl)cc1)[C@H]1CCCCCCC1=O)c1ccccc1 624335 DAMIZTLQFWGOES-RTWAWAEBSA-N 368.904 6.236 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1Cl 640999 UZIAMZGCKMYCKX-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA O=C(Nc1ccc(F)c(F)c1)c1sc2cccc(Cl)c2c1Cl 689149 YEYSCLXQZRQNBZ-UHFFFAOYSA-N 358.196 5.739 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)C1c2ccccc2Oc2ccccc21 851837 YOYPUZGBKWMLQD-UHFFFAOYSA-N 369.342 5.582 0 50 FKAA S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 1121878 KHKAZLGFVPYZEM-UHFFFAOYSA-N 364.426 5.017 0 50 FKAA COc1ccc(CCNc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1187388 NHQDLNDKCIILBP-UHFFFAOYSA-N 368.502 5.099 0 50 FKAA CC(C)c1ccc(N2CSC(=S)N(c3ccc(C(C)C)cc3)C2)cc1 1735364 LCJGDIFGJMNPJC-UHFFFAOYSA-N 370.587 6.193 0 50 FKAA CCCCOc1ccc(C(=O)N[C@H](CC)c2ccc(C(C)C)cc2)cc1 2795163 CIKTWLFBNLPMOX-JOCHJYFZSA-N 353.506 5.870 0 50 FKAA ON1C(c2cc(Cl)cc(Cl)c2)=NNc2cc(Cl)c(Cl)cc21 25760127 CMLKSXQVDLKGET-UHFFFAOYSA-N 363.031 5.283 0 50 FKAA Cc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2Br)cc1 36620657 BMKZJLKDXKVLDY-QGZVFWFLSA-N 359.267 5.127 0 50 FKAA Cc1cccnc1[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 91859299 KOKMHNIKIMEVAZ-HXUWFJFHSA-N 366.848 5.185 0 50 FKAA Cc1ccc(C)c2c1CCC[C@H]2Nc1cc(NCc2ccccc2)ccn1 1875341953 QEADDUDLODYQJC-JOCHJYFZSA-N 357.501 5.800 0 50 FKAA O=C(c1cc(-c2ccccc2)ccc1Cl)N1CCCc2occc2C1 2325825078 CRDLKMIYQDDTSV-UHFFFAOYSA-N 351.833 5.189 0 50 FKAA Cc1cccc(CSc2nnc(Cc3cccc4ccccc34)n2C)c1 624577 HFBAOVAJAONTTG-UHFFFAOYSA-N 359.498 5.160 0 50 FKAA COc1ccc(C2=C[C@H](c3ccc(C)cc3)c3ccccc3O2)cc1OC 708628 VBJVGLHLGSTJDA-HXUWFJFHSA-N 358.437 5.578 0 50 FKAA biogenic COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 997745 YYIVNQRXIUTVLB-UHFFFAOYSA-N 354.409 5.163 0 50 FKAA CC[C@@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1 1140500 CGUCZWSMIGOMDG-CYBMUJFWSA-N 364.297 6.089 0 50 FKAA Fc1cccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)c1 1231803 MFPABVYHQQJLES-GFOMBABLSA-N 354.475 5.970 0 50 FKAA Cc1ccc(O)c(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1 1912245 PTQNWRZQNLVLKP-UHFFFAOYSA-N 361.832 5.708 0 50 FKAA O=C(Nc1cc(F)ccc1F)Nc1cc(Cl)c(Cl)cc1Cl 3086068 LWRJBMXWNOIXLX-UHFFFAOYSA-N 351.567 5.569 0 50 FKAA Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccc(Cl)cc2)c1 3132934 GVFQXCQJLVIHCJ-UHFFFAOYSA-N 362.904 5.982 0 50 FKAA Brc1cc2cc(c1)CSCc1ccc(cc1)CSC2 4532719 NDDOMFGWFDHJCX-UHFFFAOYSA-N 351.334 5.629 0 50 FKAA Cc1ccc(NC(=O)C2CCCCC2)cc1NC(=O)c1ccc(Cl)cc1 4820372 KUBDJXHJXBAWTK-UHFFFAOYSA-N 370.880 5.420 0 50 FKAA CC1(C)c2ccccc2-c2ccc(Nc3ccc(Br)cc3)cc21 147759362 AMHSSMRZIPHUIJ-UHFFFAOYSA-N 364.286 6.499 0 50 FKAA CC1(C)Cc2nc3ccccc3c(NCc3ccc(Cl)cc3)c2[C@H](O)C1 754664 LSOLENMLUWTWRQ-LJQANCHMSA-N 366.892 5.506 0 50 FKAA Cc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c2c1 986950 SWEJYCXYFSJEKN-UHFFFAOYSA-N 367.754 5.974 0 50 FKAA CCC(=O)N(c1ccc(F)cc1)c1nc(-c2ccccc2)c(CC)s1 1108306 MASNQVUYVCTQFT-UHFFFAOYSA-N 354.450 5.586 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4)ccc3o2)cc1 1171308 UBAFIFHFCLYYQW-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1Cc1ccco1 1205739 LDPIZTPEHKVLEP-GOSISDBHSA-N 373.239 5.353 0 50 FKAA CCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(C)cc12 2079510 CFOYSQXHPMEMNL-UHFFFAOYSA-N 367.876 6.211 0 50 FKAA CCCOc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 2751484 YLJQZWNXMYOFEF-UHFFFAOYSA-N 352.459 5.160 0 50 FKAA O=C(Nc1ccccc1)OCCOc1c(Cl)cc(Cl)cc1Cl 3099557 HRKQVPJKCUIAHL-UHFFFAOYSA-N 360.624 5.274 0 50 FKAA C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C12CC3CC(CC(C3)C1)C2 4905314 OJQCKPMQXVIGST-NZWMYCLXSA-N 352.305 5.328 0 50 FKAA COc1cc(C)c(CN(CCc2ccccc2)Cc2ccccc2)cc1C 4988479 UQDACAJDXNKPKN-UHFFFAOYSA-N 359.513 5.557 0 50 FKAA COc1ccc([C@@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)oc2C)cc1 12431267 YTQHSLIYVQSHSN-CQSZACIVSA-N 370.880 5.505 0 50 FKAA Cc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)cc1 17130891 LSQTVRNFFICYTG-RWEWTDSWSA-N 372.399 5.365 0 50 FKAA C[C@H](Cc1ccc(C(C)(C)C)cc1)CN(C)Cc1ncc(C(C)(C)C)[nH]1 1875357341 COZQXOHTDHYIGC-QGZVFWFLSA-N 355.570 5.315 0 50 FKAA Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1C 1153648 GJTPBUAYVWDOKO-UHFFFAOYSA-N 360.240 6.123 0 50 FKAA Cc1cccc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12 1196326 SLQMXMNGSJECPN-UHFFFAOYSA-N 372.449 5.088 0 50 FKAA COc1ccc(CSc2nnc(SCc3ccccc3C)s2)cc1 1302543 QSTUYYKDVLVMJB-UHFFFAOYSA-N 374.556 5.440 0 50 FKAA CSc1ccccc1NC(=O)c1ccc(COc2cccc(Cl)c2)o1 2761469 WZCPYSXDCDWLCM-UHFFFAOYSA-N 373.861 5.486 0 50 FKAA Clc1ccc(OCc2ccccc2)c(-c2nc(-c3cccnc3)no2)c1 6729209 KJHORJLFNNYYSL-UHFFFAOYSA-N 363.804 5.031 0 50 FKAA Fc1cccc(-c2cn[nH]c2C2CCN(CCCc3ccccc3)CC2)c1 11911631 MXFUXALJUNYZFJ-UHFFFAOYSA-N 363.480 5.028 0 50 FKAA CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2 20573058 RFZJXIVEZPFYJG-YYAZDPENSA-N 352.522 5.292 0 50 FKAA Cc1cc2ccccc2nc1C(=O)Nc1cccc(Oc2ccccc2)c1 1875343609 OSPIBZKFEREFMJ-UHFFFAOYSA-N 354.409 5.588 0 50 FKAA CCCC(CCC)C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C 1148518 QOZRZFUBKTZVFX-UHFFFAOYSA-N 350.462 5.958 0 50 FKAA O=C(CSc1ccccn1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 2773631 UGTCHRBEIXCYHM-UHFFFAOYSA-N 370.861 5.258 0 50 FKAA CCc1cc(=O)oc2cc(C)cc(OCc3ccccc3Br)c12 2811815 DENRSISUURLQQU-UHFFFAOYSA-N 373.246 5.005 0 50 FKAA COc1ccc([C@@]2(C)CCc3oc4ccc(C)cc4c3-c3oc(C)cc32)cc1 2911795 QRWHMOSHKHAPLG-RUZDIDTESA-N 372.464 6.570 0 50 FKAA biogenic Cc1ccccc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 4898974 QUWUWHVWNKSEJE-LJQANCHMSA-N 364.832 5.233 0 50 FKAA COc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 4991122 AZFDEKFAQNPPGD-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(C)cc2)C1 5916769 OGVQRJUZFARVFU-CQSZACIVSA-N 356.535 5.432 0 50 FKAA Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 12195414 CEBDKUMDXCOINQ-IFMALSPDSA-N 360.844 5.582 0 50 FKAA CCCC[C@H](CC)C(=O)Nc1cccc(NC(=O)[C@H](CC)CCCC)c1 16226211 KIAIJJBKZOSWJY-HDICACEKSA-N 360.542 5.996 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 38444657 RPKLZQLYODPWTM-JRBLDTLOSA-N 360.582 6.536 0 50 FKAA COc1ccc(C)cc1NC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 64984925 AUAUZRLXWMWLFM-HXUWFJFHSA-N 352.478 5.461 0 50 FKAA CCCC[C@H](O[P@@](C)(=O)O[C@H](CCCC)C(F)(F)F)C(F)(F)F 253390153 GUVAZSHDCUMVMJ-MOPYBVRISA-N 372.286 6.085 0 50 FKAA CCOc1cc(CNc2ccccc2)ccc1OCc1ccc(F)cc1 982704 PMYUKLLKGSBLRP-UHFFFAOYSA-N 351.421 5.416 0 50 FKAA CC(C)C(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1138819 BNGNSNQDOIRDNH-UHFFFAOYSA-N 372.468 5.052 0 50 FKAA COc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 1164708 UQPBNXLULUFGET-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA COc1cccc(-c2nc3cc(NC(=O)C4CCCCC4)ccc3o2)c1 1185234 STBZDROBIHFADL-UHFFFAOYSA-N 350.418 5.022 0 50 FKAA CCCOc1cccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)c1 2089965 MFPFBAUBRHWDHS-UHFFFAOYSA-N 374.484 5.363 0 50 FKAA Cc1ccc(OCCn2c(CNc3ccccc3C)nc3ccccc32)cc1 3894917 AWBLWOCEAMQJHD-UHFFFAOYSA-N 371.484 5.344 0 50 FKAA CC(C)(C)c1ccc(OCCOCCOc2cccc3cccnc23)cc1 5642507 BCCZNUDMNIHREB-UHFFFAOYSA-N 365.473 5.007 0 50 FKAA Fc1ccc(-n2ncc3c(C(F)(F)F)cc(-c4ccccc4)nc32)cc1 20604724 QXGSVOVOOZTWFF-UHFFFAOYSA-N 357.310 5.245 0 50 FKAA CCCC[Sn](/C=C\OCC)(CCCC)CCCC 169745190 WARKYKQCOXTIAO-UHFFFAOYSA-N 361.158 5.925 0 50 FKAA CCN(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 248276339 YQZJWOZCQJLDGZ-BJKOFHAPSA-N 365.561 5.888 0 50 FKAA CC1(C)CC(=O)c2cnc(SCc3csc(C(F)(F)F)c3)nc2C1 2325823349 OMXKHZXSVWEJFF-UHFFFAOYSA-N 372.437 5.004 0 50 FKAA Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1C 637001 TXMJONAFZFCMCN-UHFFFAOYSA-N 350.270 6.077 0 50 FKAA Cc1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCCCC2)cc1 858818 NAHVROQHDZCVSB-UHFFFAOYSA-N 372.516 5.140 0 50 FKAA biogenic O=C(Nc1ccc(Cl)cn1)[C@@H](Sc1ccccc1)c1ccccc1 985094 DRWCRXFXAAFNAA-SFHVURJKSA-N 354.862 5.207 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 1226970 WTSAAUUUGXKFGS-UHFFFAOYSA-N 372.468 5.489 0 50 FKAA FC(F)(F)c1cccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)c1 1468156 JEYQQWQBRSUFSN-UHFFFAOYSA-N 357.399 5.177 0 50 FKAA Cc1cccc(OCCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 1773801 OOHYVPHYKFTYOG-UHFFFAOYSA-N 371.786 5.465 0 50 FKAA CC(C)CC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 2820762 WRRWIZWWCBNSDG-UHFFFAOYSA-N 364.779 5.411 0 50 FKAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3cccc(F)c3)ccc12 2946188 AXUUWEJYEDQSPG-UHFFFAOYSA-N 374.411 5.410 0 50 FKAA CCCCN(CC)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2989594 KTJYEUDMFITXPK-UHFFFAOYSA-N 355.265 5.219 0 50 FKAA CCCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 3178287 UFAMSANOZMTIFV-UHFFFAOYSA-N 364.512 6.775 0 50 FKAA CCC[C@H](NC(=O)Nc1ccc(C)c(F)c1)C12CC3CC(CC(C3)C1)C2 13320185 RXIZTMSJLZUEHL-FQYNAJQUSA-N 358.501 5.641 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 16968999 GFHOQCXDABGYAL-HLWYUKQTSA-N 360.538 5.166 0 50 FKAA Cc1cccc(N[C@@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2)n1 68675253 OCNSGNSTZHSCHW-QHCPKHFHSA-N 357.432 5.587 0 50 FKAA CCc1cccc2c(C3CCN(c4ccc(F)cc4C(C)=O)CC3)c[nH]c12 2325817755 TUAHATQIMXUFJY-UHFFFAOYSA-N 364.464 5.456 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 672871 XUUODWWRRODCSF-UHFFFAOYSA-N 370.408 5.695 0 50 FKAA Cc1cccc(C)c1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 1158608 VNCLVUKXNWBZDS-UHFFFAOYSA-N 360.240 6.123 0 50 FKAA O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCCCCC1 1173214 UCPQJIKFXBCUQB-UHFFFAOYSA-N 359.922 5.649 0 50 FKAA CCCCOc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 1791019 MUKSTXOXDIEAJS-UHFFFAOYSA-N 358.488 5.303 0 50 FKAA c1ccc(Oc2cccc(OCCCCCCN3CCCCC3)c2)cc1 2880523 CWDQOKUKSPDNKC-UHFFFAOYSA-N 353.506 5.904 0 50 FKAA Cc1cccc(COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)c1 2997683 RUCRRRZVVUGEIQ-UHFFFAOYSA-N 372.420 5.781 0 50 FKAA Cc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)cc2C)c(C)c1 3075099 DHWRLOKEGSVEML-UHFFFAOYSA-N 368.484 6.351 0 50 FKAA Clc1ccc(C2=N[C@H](C3CCCCC3)N3[C@H]2[C@@H]3c2ccccc2)cc1 254302135 YWYLMPYWIUGPLF-QDRPFKOJSA-N 350.893 5.475 0 50 FKAA CC1(C)[C@@]2(c3ccccc3)[C@@H]3CC(Br)=C[C@H]3[C@@]12c1ccccc1 254312989 ZCUSLGXRRGHAJZ-KRXUUXHPSA-N 365.314 5.831 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CCC2=O 257357318 NIXXKMPUWREKQR-POKKAXBESA-N 372.549 5.430 0 50 FKAA CCOC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 682475 NYHRXTOHAJDGMW-UHFFFAOYSA-N 373.452 5.024 0 50 FKAA COc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc1 828373 CAISBOLWNVMBDP-JTSKRJEESA-N 372.468 5.287 0 50 FKAA Cc1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C(C)C 946925 OTUYJGBSZRBJGW-UHFFFAOYSA-N 352.261 5.443 0 50 FKAA O=C1c2ccccc2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 990711 GELNDQTYQCOGEH-UHFFFAOYSA-N 365.388 5.433 0 50 FKAA Cc1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 1140421 FRUXLKUPUWJHBC-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 1156328 ZMEHLDLLMUEUQF-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA biogenic Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cccs1 1206179 IJTUSIYNVFRBPN-UHFFFAOYSA-N 368.845 5.770 0 50 FKAA COc1ccc(CNc2cccc(SC)c2)cc1OCc1ccccc1 2770633 XEYJEESSZYMPJJ-UHFFFAOYSA-N 365.498 5.608 0 50 FKAA Cc1ccc(OC(F)F)c(NC(=O)Nc2cccc(Cl)c2Cl)c1 2852304 HBODPXFIHQBJDM-UHFFFAOYSA-N 361.175 5.547 0 50 FKAA COc1cc(C=O)ccc1OCCCCOc1ccc(Cl)c(C)c1C 2994814 HVMQACLTFRTRBZ-UHFFFAOYSA-N 362.853 5.016 0 50 FKAA Clc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1Cl 4054773 KHPRXYATQXCMNH-UHFFFAOYSA-N 368.314 5.881 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](c1ccccc1)O2 5025452 JRDLQYGIXLGAFV-PXNSSMCTSA-N 350.805 5.175 0 50 FKAA O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 13940715 BKCJAOULWOOMJH-RIYZIHGNSA-N 350.226 5.234 0 50 FKAA C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OCc4ccccc4)CC[C@@]3(C)[C@@H]1CC2 257350496 XVAQUNQDQASSEH-ZXKYYVMZSA-N 366.589 7.005 0 50 FKAA CCCn1c(C)c(C(=O)OC[C@@H]2CCC(C)(C)C2)c2cc(OC)ccc21 1875357669 QIQBYIIMVBXBKW-MRXNPFEDSA-N 357.494 5.351 0 50 FKAA Cc1ccc([C@@H]2C[C@H](c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 634035 GFAWITCFSGDEFK-PKTZIBPZSA-N 366.468 5.400 0 50 FKAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccc(Cl)cc1)C2 12217572 LBXDCJQFKPHYRU-UHFFFAOYSA-N 371.889 5.169 0 50 FKAA CCCc1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 13745386 LSGSEBSOQRPYRE-ZDUSSCGKSA-N 361.283 5.284 0 50 FKAA Cc1ccc([C@@H](CC(=O)N2CCCCC2)c2ccc(OC(C)C)cc2)cc1 1121203 DEBIMYJEDCTQOP-HSZRJFAPSA-N 365.517 5.317 0 50 FKAA biogenic COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl 1166121 ZOKMYDXZTJHSDF-UHFFFAOYSA-N 352.242 5.469 0 50 FKAA Cc1ccc(C(C)C)c(OC[C@H](O)Cn2c(C(C)C)nc3ccccc32)c1 1215463 JWGWMGIEALDTFM-GOSISDBHSA-N 366.505 5.031 0 50 FKAA Cc1cccc(C)c1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1768765 VYQLVABJYMCNTP-UHFFFAOYSA-N 373.496 5.647 0 50 FKAA O[C@@H](c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 2173353 NTTRVQMEEZHWEM-ZDUSSCGKSA-N 356.463 6.035 0 50 FKAA CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)c3ccccc3)ccc12 2430159 BMZUJWLOBVXBGS-INIZCTEOSA-N 364.441 5.094 0 50 FKAA CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC 3875763 MJOKHGMXPJXFTG-UHFFFAOYSA-N 356.547 5.964 0 50 FKAA FC(F)(F)c1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccccc1 4725712 ZIVFHNZOHOSGNH-SFHVURJKSA-N 372.415 6.123 0 50 FKAA OCc1ccc(CN2CC[C@@H](c3cccc(F)c3)Sc3ccccc32)o1 12099011 YHGPEIRWQSYLBL-FQEVSTJZSA-N 369.461 5.155 0 50 FKAA Cc1noc2ccc(-c3c(-c4ccccc4)ncn3Cc3ccccn3)cc12 65536217 DIXFPFZDWVBZIL-UHFFFAOYSA-N 366.424 5.110 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCCN1C(=O)C=CC1=O 169298835 GZNZRHSGGQUYAP-AVHBIOJASA-N 369.549 6.057 0 50 FKAA CN[C@H](C)[C@H](OB1C2CCCC(CCC2)[C@H]1[Si](C)(C)C)c1ccccc1 170161047 ZOZYQBFBLCMBTA-XUWGEKFYSA-N 371.450 5.946 0 50 FKAA COC1CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 215602594 UELZZLNQNDVNIC-UHFFFAOYSA-N 365.395 5.109 0 50 FKAA CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1 255003984 IBFAIOMGVHPWRQ-QAQDUYKDSA-N 358.472 7.104 0 50 FKAA in-vitro COc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 659088 AAIUIXCYQIEXOK-UHFFFAOYSA-N 367.832 5.180 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 678516 BUAZXIIAVSOZFA-CYBMUJFWSA-N 352.459 5.073 0 50 FKAA Cc1c(NC(=O)c2cccs2)cccc1-c1nc2ccccc2s1 884368 ZNWFDKFUAJNZRK-UHFFFAOYSA-N 350.468 5.586 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1C[C@@H]1c1ccccc1 1113840 UQMKOYGWURFPAN-HZPDHXFCSA-N 354.862 5.206 0 50 FKAA CC(=O)c1c(C)cc(C)c(CSc2nc3ccc(N)cc3s2)c1C 1163184 FEZJGMQBVHPXTM-UHFFFAOYSA-N 356.516 5.299 0 50 FKAA CCCCCCC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C 2271235 SIJFGEIQBSLYAE-GHTZIAJQSA-N 350.506 5.935 0 50 FKAA Cc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1Cl 2522061 ZHPWPCCTYCDVHW-UHFFFAOYSA-N 352.659 5.096 0 50 FKAA Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 2998919 JRDFVTFKHILGBU-UHFFFAOYSA-N 373.077 5.625 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 4069813 GMAFSKUKRBCUPM-PRHODGIISA-N 353.076 5.523 0 50 FKAA CCCOc1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 5049255 AUGPTWKPTMDIRP-UHFFFAOYSA-N 370.836 5.345 0 50 FKAA O=C(NCc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 13320436 HUAJONKWVCXJNJ-UHFFFAOYSA-N 363.166 5.334 0 50 FKAA Cc1ccsc1CN(Cc1cnc2ccccc2c1)Cc1ccccn1 55165954 ZXZJMIJLFMIJCN-UHFFFAOYSA-N 359.498 5.202 0 50 FKAA Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(Cl)c3C)cc2)nn1 72117337 WNJQIUBADPFFRS-UHFFFAOYSA-N 368.824 5.183 0 50 FKAA Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 666504 OGPGPUOZWGLRAV-UHFFFAOYSA-N 370.246 5.578 0 50 FKAA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2C(=O)c1ccccc1F 1150225 RKICTQKACMXNDI-FXAWDEMLSA-N 359.444 5.705 0 50 FKAA O=C(CSc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 1178617 CMEDPXNKIRUYLH-UHFFFAOYSA-N 360.438 5.226 0 50 FKAA COc1cccc(SCC(=O)c2sc(-c3ccccc3)nc2C)c1 1390124 RYDUYUARQOIORT-UHFFFAOYSA-N 355.484 5.102 0 50 FKAA CC(=O)c1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 1770442 QEZMNGNQWBNZTN-UHFFFAOYSA-N 373.843 5.896 0 50 FKAA CCCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12 2091003 PGSUPBKOCCQEOG-UHFFFAOYSA-N 372.848 5.377 0 50 FKAA biogenic O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Sc1ccccc1 2858690 WEJOBPXFPDBTPK-UHFFFAOYSA-N 364.426 5.211 0 50 FKAA C1C2CC3CC1CC(Cc1nnc(C45CC6CC(CC(C6)C4)C5)o1)(C2)C3 6261974 KIXUSPAEWKOQRR-UHFFFAOYSA-N 352.522 5.296 0 50 FKAA Cc1nn(-c2ccccc2F)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 20615100 LXYZNJRFPBTCJE-UHFFFAOYSA-N 371.337 5.612 0 50 FKAA CC(=O)[C@H](C(=O)c1ccccc1)[C@H]1c2ccccc2Oc2ccc(F)cc21 100671635 CCDDWUZRKQKEPO-VXKWHMMOSA-N 360.384 5.151 0 50 FKAA CCCc1ccc(Oc2c(C)oc3c(C)c(OCC)ccc3c2=O)cc1 632217 XDZYBVSWRDSPGN-UHFFFAOYSA-N 352.430 5.553 0 50 FKAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc2ccccc2c1 666873 RHDICZFJHMLYEZ-UHFFFAOYSA-N 350.849 5.346 0 50 FKAA Cc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 1218931 RTMTXRWZOAQOGK-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA c1ccc2sc(Sc3ncnc4sc5c(c34)CCCC5)nc2c1 1786833 NMFUBSPMRQNVEV-UHFFFAOYSA-N 355.513 5.331 0 50 FKAA Cc1ccc(C)c(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1 4543206 YRSBLBYLOYPFGI-ZRDIBKRKSA-N 351.833 5.869 0 50 FKAA COc1ccc([C@H](C)N(C)Cc2nc(-c3cccc(F)c3F)oc2C)cc1 12055430 RKPGNFQAZZOENR-ZDUSSCGKSA-N 372.415 5.130 0 50 FKAA CC(C)C1(COC(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 1875343183 FOPFEDLVOBKMDS-UHFFFAOYSA-N 365.448 5.422 0 50 FKAA CCOc1ccc(Nc2cc(C)nc(Nc3ccc(OCC)cc3)n2)cc1 753669 AHXVZANUOFQACU-UHFFFAOYSA-N 364.449 5.070 0 50 FKAA CC(=O)CCc1oc2ccc(C)cc2c1-c1ccc(Br)cc1 854337 SMQVIRLKLFAOHT-UHFFFAOYSA-N 357.247 5.692 0 50 FKAA biogenic Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1Cc1ccccc1 1055111 JYWARBMWRFZEQC-UHFFFAOYSA-N 368.436 5.493 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cl)c1 1171705 BIHANSBZSPNQND-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)CCc4ccccc4)cc3)sc2c1 1181315 GOTHQPLENWQPRF-UHFFFAOYSA-N 372.493 5.843 0 50 FKAA CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1 2013193 ZMWRRFHBXARRRT-UHFFFAOYSA-N 351.494 5.501 0 50 FKAA COc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c(OC)c1 3176959 RLPDCCBRUDJBOS-UHFFFAOYSA-N 360.866 5.533 0 50 FKAA COc1ccc(/N=c2\nc(-c3ccccc3)n(-c3ccc(C)cc3)s2)cc1 4508783 XXGUKQQXCNUTEL-GHVJWSGMSA-N 373.481 5.150 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 5211514 SFNSGHUMGYWJGF-AWGTVLFOSA-N 372.549 5.332 0 50 FKAA CCOc1ccccc1-c1nc(CN(C)[C@H](C)c2cccs2)c(C)o1 12471275 BWDOMUZRJAFSFM-CQSZACIVSA-N 356.491 5.303 0 50 FKAA COc1cccc(CNC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)c1 35561783 SUQRCTRDKPYISO-HXUWFJFHSA-N 372.896 5.176 0 50 FKAA Oc1cc(-c2ccccc2)nc2cc(-c3ccc(-c4ccccc4)cc3)nn12 100519120 IRBFMXUMOWEXFE-UHFFFAOYSA-N 363.420 5.436 0 50 FKAA Cc1ccnc(-c2ccc(N[C@@H](C)c3ccc(OC(F)(F)F)cc3)cc2)n1 170627444 IMQCCOJHINIMMA-AWEZNQCLSA-N 373.378 5.524 0 50 FKAA CC(=O)O[C@H]1C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C(C)=O 253595585 GIYJTJPCTWLLOH-WATCZFJRSA-N 360.538 5.166 0 50 FKAA CCOc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 625168 FJGCJRRTLPYKGA-UHFFFAOYSA-N 366.269 5.859 0 50 FKAA CC(C)(C)C(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 846292 JVZSCKAMFVWALK-UHFFFAOYSA-N 370.832 5.107 0 50 FKAA Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C)cc1 996000 QQQVKJCONDIIFK-UHFFFAOYSA-N 370.427 5.910 0 50 FKAA Cc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccccc2)cc1 1509213 RVJUXJCATGAQNL-UHFFFAOYSA-N 360.438 5.631 0 50 FKAA CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2C)cc1 2030935 WKNVQVYSRAWOON-UHFFFAOYSA-N 374.480 6.369 0 50 FKAA CCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc12 2313248 CLOQYTKSUGPTDI-UHFFFAOYSA-N 353.849 5.821 0 50 FKAA C[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccc2c(c1)CCCC2 2322281 PGSVYBVILQPZOJ-MHECFPHRSA-N 361.529 5.717 0 50 FKAA O=c1c2c([nH]c(=S)n1-c1ccccc1)-c1ccccc1CC21CCCCC1 2362179 XUSBGDCSIJKFKY-UHFFFAOYSA-N 374.509 5.320 0 50 FKAA COc1cc(C)ccc1OCCCOc1c(Cl)cc(C)cc1Cl 2984048 HZYRQEKAATVXHZ-UHFFFAOYSA-N 355.261 5.467 0 50 FKAA O=S(=O)(Oc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl 2998270 UGMSIUKIJGWTTI-UHFFFAOYSA-N 372.056 5.068 0 50 FKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccc(OC)c3)=NN21 6045644 WFSDURGUCBJQKY-AZUAARDMSA-N 356.853 5.018 0 50 FKAA O=C(CCC1CCN(C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1 14969408 BMDIYFOBUXUVKH-UHFFFAOYSA-N 366.549 5.086 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 253534389 GFHOQCXDABGYAL-YKRHEYRCSA-N 360.538 5.166 0 50 FKAA COc1ccc(C2=N[C@H](c3ccccc3Cl)N3[C@H]2[C@@H]3c2ccccc2)cc1 254798433 MVWBXWFFHHOXPU-CAQDGQBVSA-N 374.871 5.276 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 849837 BTESNZZMSZYEQD-DYESRHJHSA-N 357.457 5.671 0 50 FKAA O=C(c1ccccc1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 1114847 QVYBHRWQCKXFIJ-UHFFFAOYSA-N 359.400 5.090 0 50 FKAA C[C@@H](CC(C)(C)C)[C@H](CC[C@@H](C)CC(C)(C)C)COc1ccccc1N 2165936 HGQBRBXGVRFTTN-HSALFYBXSA-N 361.614 7.189 0 50 FKAA C[C@H](NCC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 4898468 KXPJSSIVKJYOLN-SESVDKBCSA-N 371.590 5.853 0 50 FKAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(Cc2ccccc2)CC1 4953791 BADFYUKSYFXLKQ-UHFFFAOYSA-N 351.534 5.074 0 50 FKAA CCOc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3F)C2)cc1 4957754 BTCGTBWUYCXTOV-HSZRJFAPSA-N 360.432 5.580 0 50 FKAA Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)c1 12564825 ASYAFSDSZYHOAL-IRLDBZIGSA-N 360.844 5.582 0 50 FKAA Cc1ccsc1-c1nc(CN2CCC[C@H]2c2ccc(F)cc2)c(C)o1 13593403 IEMDLVORLQYRJZ-SFHVURJKSA-N 356.466 5.496 0 50 FKAA COc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4cccs4)nc32)cc1 20602796 UZXMKOGQCUZLBX-UHFFFAOYSA-N 371.412 5.404 0 50 FKAA Cc1nc([C@@H](C)N(C)Cc2c[nH]nc2-c2cc3ccccc3o2)c(C)s1 20913092 DPTAELPBIAKHOM-GFCCVEGCSA-N 366.490 5.089 0 50 FKAA c1ccc([C@@H]2CCCN2Cc2cnc(-c3ccc4ccccc4c3)nc2)nc1 55244603 SQKRJVUDQLUKOT-QHCPKHFHSA-N 366.468 5.029 0 50 FKAA c1ccc([Si](CCC2CCCCC2)(c2ccccc2)c2ccccc2)cc1 169818734 YDOMIRRYWWIIRI-UHFFFAOYSA-N 370.612 5.127 0 50 FKAA Cc1ccc(-c2cc3c(N)c4c(nc3o2)C[C@@H](c2ccccc2)CC4=O)cc1 253495817 RIGXXFDGKYJNLV-QGZVFWFLSA-N 368.436 5.298 0 50 FKAA C=C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253612481 SCZFJLZMTKPHEI-CYMGQNKLSA-N 354.534 5.993 0 50 FKAA Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 1857525345 ARYVICLZGFZHAR-PJBXBVLESA-N 368.565 5.207 0 50 FKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1 1857777569 AJQMFUYBFQQAKA-UGLKCIBTSA-N 368.483 7.466 0 50 FKAA CCSc1ccccc1NC(=O)c1cc(-c2ccc3ccccc3c2)on1 1857800755 SJZBVKCWCBUQGW-UHFFFAOYSA-N 374.465 5.859 0 50 FKAA Cc1nc(N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c2ccsc2n1 2325878929 AXNRJXBEZYTFFV-JTQLQIEISA-N 367.396 5.114 0 50 FKAA O=C(CSc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 624116 XJEXCJHVWAGXSB-UHFFFAOYSA-N 354.283 5.578 0 50 FKAA biogenic O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccccc2)cc1 634175 MHLLOXBXXQVMMY-UHFFFAOYSA-N 370.221 5.508 0 50 FKAA CCCc1cc(C(=S)NC2c3ccccc3Oc3ccccc32)ccn1 1170440 UVNUFBRWATYKTI-UHFFFAOYSA-N 360.482 5.195 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)c3ccccc3n2)c(C)c1 1199974 IYNMGXANNXPMJE-UHFFFAOYSA-N 370.427 5.910 0 50 FKAA c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C2)cc1 1698313 JCXLYAWYOTYWKM-UHFFFAOYSA-N 370.495 7.612 0 50 FKAA CCN(C(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 2485598 ZAFPVJAFSPOELW-UHFFFAOYSA-N 352.261 5.206 0 50 FKAA Clc1ccc2c(c1)c1cc(Cl)ccc1n2COCc1ccccc1 2494009 SOKBAXXUOZZMHB-UHFFFAOYSA-N 356.252 6.276 0 50 FKAA CCOc1ccc(Nc2nc([C@@]3(C)C[C@H](CC(C)C)C(=O)O3)cs2)cc1 2979757 QDLPUUJKFFWQIR-VBKZILBWSA-N 374.506 5.110 0 50 FKAA CCCOc1cccc(C(=O)Nc2c(C)cc(Br)cc2C)c1 2999548 DUEUCZKTCAUHSB-UHFFFAOYSA-N 362.267 5.107 0 50 FKAA Cc1ccc2nc(-c3ccc(F)cc3)c(NC(C)(C)CC(C)(C)C)n2c1 4625444 SMMRCVHQIKBJAV-UHFFFAOYSA-N 353.485 6.076 0 50 FKAA CC1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3ccccc3)cc21 95830619 OBARUOOPPWHZRQ-UHFFFAOYSA-N 361.488 7.404 0 50 FKAA in-vitro CCN(C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1ccc2[nH]ccc2c1 472472585 UUOKWXWETJBKFV-UHFFFAOYSA-N 372.424 5.297 0 50 FKAA CC[C@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 918735976 FQCZQDHJAADEAG-IRXDYDNUSA-N 357.803 5.133 0 50 FKAA CC[C@H](c1ccncc1)N(C)Cc1ccc(OCc2csc(C)n2)cc1 952846090 ACKIDLMBLUWCLT-OAQYLSRUSA-N 367.518 5.009 0 50 FKAA CC(C)CCC(=O)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12 1875340987 BKZHWFQCDKBDJR-UHFFFAOYSA-N 368.864 6.055 0 50 FKAA Cc1ccc(Cn2nc(-c3ccncc3)nc2C2[C@@H]3CCCCCC[C@@H]23)cc1 1875348163 ZCDKIBABKPUSCI-NHCUHLMSSA-N 372.516 5.381 0 50 FKAA CN(C)c1ccc(NC(=O)c2csc(C3CCCCC3)c2)c(Cl)c1 2325840831 SGQOIOATEOYNEF-UHFFFAOYSA-N 362.926 5.768 0 50 FKAA Cc1cc(NC(=O)c2csc(C3CCCCC3)c2)cc(C(=O)N(C)C)c1 2325840906 WXCXEKNQICOJNG-UHFFFAOYSA-N 370.518 5.058 0 50 FKAA CCC(=O)N1c2ccc(OC)cc2-c2c(ssc2=S)C1(C)C 638698 XRISLFVMUWIERZ-UHFFFAOYSA-N 351.518 5.206 0 50 FKAA O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 651288 GYQWKTIZRYVFEM-UHFFFAOYSA-N 358.466 5.457 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)c1cccc(Oc2ccccc2)c1 1132250 XGPUJOHVJSXUKN-UHFFFAOYSA-N 358.224 6.038 0 50 FKAA Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1Cl 4543204 XZHYGUODSWWJSC-PKNBQFBNSA-N 372.251 6.214 0 50 FKAA COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)cc1OC 35561636 RGGWZIHGIIXKIR-LJQANCHMSA-N 368.477 5.161 0 50 FKAA CC[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 36562665 KVIFIUCAAVFZOZ-KRWDZBQOSA-N 360.482 6.150 0 50 FKAA CCC[C@H](N[C@@H](C)[C@@H]1CCCCN1)c1ccc(Oc2ccccc2)cc1 2325822365 TVKVSXXHKJQNFL-TZYHBYERSA-N 352.522 5.440 0 50 FKAA O=C(Nc1ccc([C@@H]2CC2(Cl)Cl)cc1)Nc1cccc2ccccc12 1078400 ZZXPMIRXXNEVNO-KRWDZBQOSA-N 371.267 6.145 0 50 FKAA C[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 1113381 OPXZDVZSTKCFRR-CYBMUJFWSA-N 359.347 5.456 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1C 1123450 WFNUXJRZYFMKAQ-UHFFFAOYSA-N 356.425 5.293 0 50 FKAA O=C(Cc1ccc2ccccc2c1)Nc1cccc(C(=O)c2ccccc2)c1 1140793 VOPCALHAYDPUCD-UHFFFAOYSA-N 365.432 5.252 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc2c1 1167805 BJUCQOMUTKRTOZ-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1cc(C)ccc1C 1386410 GNFNHTHOPXSFSE-UHFFFAOYSA-N 364.470 5.088 0 50 FKAA Cc1sc2ncnc(SCC(=O)c3ccc4ccccc4c3)c2c1C 2679442 BHAJJULEZILMRY-UHFFFAOYSA-N 364.495 5.436 0 50 FKAA CC1=CC(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1 2825729 CJVAZUVGTCTIRX-KRWDZBQOSA-N 351.755 5.393 0 50 FKAA CC(C)(C)SCCNC(=O)c1ccc(CSc2ccccc2)cc1 2992208 GNKZYAJWOLVYDV-UHFFFAOYSA-N 359.560 5.240 0 50 FKAA Cc1ccc(C)c(N2CCN(c3cc(C)c4cc(Cl)ccc4n3)CC2)c1 16667350 PPFHVULOHIFWEN-UHFFFAOYSA-N 365.908 5.140 0 50 FKAA Cc1nc([C@H](C)N(C)Cc2c[nH]nc2-c2cc3ccccc3o2)c(C)s1 20913098 DPTAELPBIAKHOM-LBPRGKRZSA-N 366.490 5.089 0 50 FKAA Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1O 245238773 ARYVICLZGFZHAR-BCMBBTCHSA-N 368.565 5.207 0 50 FKAA COc1ccccc1[C@H]1CC[C@@H](C)CN1c1nc2cc(F)c(F)cc2s1 1875307929 WQBCCNKLJSENTL-SJKOYZFVSA-N 374.456 5.561 0 50 FKAA COc1ccccc1-c1ccc([C@H](C)NCC/C=C/Br)cc1 2325821982 SFBGAVMDTSJBIV-WQPBDQAGSA-N 360.295 5.312 0 50 FKAA Cc1ccc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 951233 NZUQQZDDJVVKCL-UHFFFAOYSA-N 371.786 5.302 0 50 FKAA CCc1cccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 956484 OBHCHOYIQQJYAO-UHFFFAOYSA-N 366.486 5.007 0 50 FKAA Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C 1181637 USMDOBZKNBTVHE-UHFFFAOYSA-N 360.482 5.097 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C)cc3)ccc21 2057799 ZEVHIGBMJLZLQT-UHFFFAOYSA-N 358.441 5.140 0 50 FKAA O=C(c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(F)(F)F 2828633 QBNUUXLWAQRMCR-UHFFFAOYSA-N 355.718 5.227 0 50 FKAA Brc1c(OCCCCN2CCCCC2)ccc2ccccc12 3000420 MAAHJMJDIVFLLU-UHFFFAOYSA-N 362.311 5.247 0 50 FKAA CCCC[C@H](CC)CNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320418 BTCYVXHRFSEXEV-NSHDSACASA-N 350.812 5.697 0 50 FKAA Cc1ccc2c(c1)s/c(=N\C(=O)Nc1ccccc1)n2Cc1ccccc1 16513750 AKMMXQDKRCFZCB-GYHWCHFESA-N 373.481 5.192 0 50 FKAA N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cc(Cl)cc(Cl)c1 17075511 ITWZCARWSXJLBQ-UHFFFAOYSA-N 367.619 5.125 0 50 FKAA CCCCCc1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1 95578651 VZYCAUIYIZSPQY-UHFFFAOYSA-N 366.457 5.134 0 50 FKAA in-vitro CC[C@@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 334162638 DLPCBOAIXXBINV-AUUYWEPGSA-N 366.892 5.950 0 50 FKAA O=C(NCc1ccc(Cl)c(Cl)c1)C(c1ccccc1)c1ccccc1 657402 XYQFDZSGNHJCHU-UHFFFAOYSA-N 370.279 5.442 0 50 FKAA Cc1cc(C)cc(NC(=O)c2cccc3c(Br)cccc23)c1 666895 ULCAHEXEKPGMSF-UHFFFAOYSA-N 354.247 5.471 0 50 FKAA O=C(c1ccccc1)N1c2ccccc2C=C[C@@H]1c1cc2ccccc2[nH]1 754881 MKABYDZHOIAGTC-HSZRJFAPSA-N 350.421 5.583 0 50 FKAA FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)cnn12 1163202 SKYNZISOLJWDMG-UHFFFAOYSA-N 373.765 5.736 0 50 FKAA Cc1ccc(OCc2nc3ccccc3n2CCOc2ccccc2)cc1 1473086 BBWCZHOWAOXEET-UHFFFAOYSA-N 358.441 5.003 0 50 FKAA CCCCOc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 2190100 ABGXEFAYYXWIHA-UHFFFAOYSA-N 359.469 5.636 0 50 FKAA COP(=O)(OC)[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccc(C)c1 2496341 GSUUTJVLPYXSIT-MRXNPFEDSA-N 373.311 5.610 0 50 FKAA O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1Cl 4069887 DBLWAYJZZNNPFZ-UHFFFAOYSA-N 365.904 6.060 0 50 FKAA O=C1c2c3cccc2-c2cccc(c21)CSCc1cccc(c1)CSC3 4532492 VNLGNVJXTGFKIG-UHFFFAOYSA-N 374.530 6.078 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 4838581 KXMIXPVEWOSMFL-UHFFFAOYSA-N 360.438 5.230 0 50 FKAA FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2cscn2)C1 72154602 PCCGLBNKQYFKFC-CQSZACIVSA-N 354.441 5.007 0 50 FKAA Cc1ccc(NC(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)cc1 1875317818 JTTLUYGJSIULDG-IRLDBZIGSA-N 358.441 5.382 0 50 FKAA Cc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1Cl 1157969 PYXPAMNXXABVES-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA CC(=O)Nc1cccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)c1 1215619 LJHLTTAKNCOQTD-UHFFFAOYSA-N 369.424 5.356 0 50 FKAA O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 2810560 XNTFZBXYRXYKRJ-LJQANCHMSA-N 369.251 5.765 0 50 FKAA FC(F)(F)c1cccc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 4344040 BXWYHVZNSHDKQJ-UHFFFAOYSA-N 356.265 6.651 0 50 FKAA O=C(Nc1nnc(C2CCCC2)s1)Nc1ccc(Cl)cc1Cl 9167153 KUMVPNLTGQMBHG-UHFFFAOYSA-N 357.266 5.147 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCCC1 13586477 GGZRKRPYGJABPL-UHFFFAOYSA-N 357.457 5.329 0 50 FKAA CCCCC/C=C/C/C=C/CCCCCCCc1cccc(O)c1C(=O)O 15270268 OFFQPVDOVYHTBX-AVQMFFATSA-N 372.549 7.056 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)s1 20604250 ACKDLOAGGQEIFM-UHFFFAOYSA-N 373.403 5.843 0 50 FKAA Cc1cc2c(c(C)c1Cl)CN(CCC13CC4CC(CC(C4)C1)C3)CO2 54982338 HTVHARTZAHFAKM-UHFFFAOYSA-N 359.941 5.715 0 50 FKAA CCCCCn1nc(C(=O)Nc2cccc3cccnc23)c2ccccc21 96024570 YAYIQXMTUCPLHG-UHFFFAOYSA-N 358.445 5.027 0 50 FKAA in-vitro Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](C1CCCCC1)O2 100707838 LCGGUXZFRVKMTP-UNMCSNQZSA-N 366.892 5.790 0 50 FKAA C[C@@H](NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Cl)c2ccccc12 2325870079 IJVZYSJXDHZRCG-MXWWQKGMSA-N 370.323 6.743 0 50 FKAA CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 1113120 SVJVLAHAIMGWNX-UHFFFAOYSA-N 363.413 5.139 0 50 FKAA O=C(COc1ccc2ccccc2c1)Nc1ccc2c3c(cccc13)CC2 1166193 JFSJYDQLBVISRP-UHFFFAOYSA-N 353.421 5.109 0 50 FKAA aggregator COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccccc4)c3n2)cc1 1414065 UDXHEBFBXDXBFR-UHFFFAOYSA-N 369.346 5.091 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)C(c1ccccc1)c1ccccc1 2765351 NHZQWCUMBCXQQE-UHFFFAOYSA-N 356.252 5.764 0 50 FKAA CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2832455 CSHJDXDOBCFJJT-CHWSQXEVSA-N 366.288 5.913 0 50 FKAA Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 4910763 IOWHZDZFLLRNQE-MRXNPFEDSA-N 367.489 5.099 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1cccs1)O2 13616655 CRHIXCIBDOYDRY-RDTXWAMCSA-N 372.902 5.705 0 50 FKAA C[C@H](NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)s1 13744575 SRLKRJYCJPIWHQ-QMMMGPOBSA-N 359.676 5.047 0 50 FKAA C=C(OCC)[Sn](CCCC)(CCCC)CCCC 169743332 HGXJOXHYPGNVNK-UHFFFAOYSA-N 361.158 5.925 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CCCC[C@]4(C)[C@@H]3CC[C@]12C 248240125 DTGDZMYNKLTSKC-HMBQRPAUSA-N 370.665 8.418 0 50 FKAA Clc1c(Br)cccc1OCc1ncc(-c2ccccc2)o1 1875336022 QELIMYHWZUMNSZ-UHFFFAOYSA-N 364.626 5.337 0 50 FKAA Cc1ccccc1C[C@H](CO)CN[C@H](c1ccc(F)cc1)C1CCCCC1 2325842115 OQEVFMVJJDSMGQ-CYFREDJKSA-N 369.524 5.196 0 50 FKAA Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 951229 QQDHADKUVTUMJS-UHFFFAOYSA-N 371.786 5.302 0 50 FKAA CCOc1ccc2nc(NC(=O)c3oc4ccccc4c3C)sc2c1 1186394 UFFLUSKIBJFDGQ-UHFFFAOYSA-N 352.415 5.002 0 50 FKAA CCCCC1CCC(C(=O)OC23CCC(c4ccccc4)(CC2)CC3)CC1 2466094 VIYXHPPQRAQQAN-UHFFFAOYSA-N 368.561 6.571 0 50 FKAA CCCCOc1cccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)c1 2526050 MHOONTWTQFNHIW-UHFFFAOYSA-N 355.821 5.432 0 50 FKAA Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 4030664 NTHVRFBJCARCTA-OAQYLSRUSA-N 367.279 6.349 0 50 FKAA O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 4821285 MRWCZNCLECJRTA-UHFFFAOYSA-N 352.400 5.043 0 50 FKAA Cc1ccc2nc(-c3cccc(Cl)c3)c(C)c(C(=O)NC3CC3)c2c1 5048839 DSYYXVWIXFRISE-UHFFFAOYSA-N 350.849 5.064 0 50 FKAA COc1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c1 5527448 SYAZWJZSFDTLAS-QFIPXVFZSA-N 362.860 5.704 0 50 FKAA COc1ccc([C@@H](C)N(C)Cc2nc(-c3cccc(F)c3F)oc2C)cc1 12055428 RKPGNFQAZZOENR-CYBMUJFWSA-N 372.415 5.130 0 50 FKAA C[Si](C)(C)c1ccc(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)cc1 169818258 RUVOXUIXEUUEOV-UHFFFAOYSA-N 374.676 6.111 0 50 FKAA O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1 632228 RFWDFKPDZLKEKU-UHFFFAOYSA-N 371.072 5.101 0 50 FKAA Cc1ccc([C@]2(CC(=O)Nc3ccccc3C)CCOC(C)(C)C2)cc1 892492 UIGXGEJGPXBNFX-QHCPKHFHSA-N 351.490 5.159 0 50 FKAA Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n1 995662 FGCKADWOXRQKDI-UHFFFAOYSA-N 373.843 5.511 0 50 FKAA Clc1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1 1179382 ULGHRVFTKCIYLJ-UHFFFAOYSA-N 355.608 5.276 0 50 FKAA O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 1205776 OOVMGPGAGCOIIB-LJQANCHMSA-N 352.796 5.250 0 50 FKAA O=C(Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 1210218 JXTXBSIGNNHNOB-UHFFFAOYSA-N 366.420 5.344 0 50 FKAA COc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 1217278 OTZWJYWJDGKSLT-UHFFFAOYSA-N 350.365 5.581 0 50 FKAA O=C(Nc1cccc(Cl)c1)N1CCC(c2nc3ccccc3s2)CC1 1326922 BTOUQCJGTPREHD-UHFFFAOYSA-N 371.893 5.361 0 50 FKAA CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)c(Cl)c2)c1 2830984 WZJMKANRWXMHKP-UHFFFAOYSA-N 374.868 5.120 0 50 FKAA CC[C@H](C)NC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc12 3040381 XHHLAWKZRWGBQJ-ZDUSSCGKSA-N 370.905 5.568 0 50 FKAA Brc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 3198424 LBAPEDPREBPULC-UHFFFAOYSA-N 369.258 5.607 0 50 FKAA in-vitro CC(=O)Nc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 4006500 DWGQJSSCAHGCJB-HSZRJFAPSA-N 355.441 5.001 0 50 FKAA C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 4683716 RPKLZQLYODPWTM-LVVAJZGHSA-N 360.582 6.536 0 50 FKAA biogenic,in-vitro COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OC1CCCC1 4810772 UYXQQCYKLWLNGK-UHFFFAOYSA-N 355.522 5.075 0 50 FKAA CCC(=O)Oc1cccc2ccc(/C=C/c3cccc(Cl)c3Cl)nc12 5013655 MXNYAGLUQYFKOR-PKNBQFBNSA-N 372.251 6.027 0 50 FKAA CC(C)c1ccc(/C=C2\CNC/C(=C\c3ccc(C(C)C)cc3)C2O)cc1 5911550 YJOSLGTXJBUDNI-RNIAWFEPSA-N 361.529 5.365 0 50 FKAA Cc1ccc(C)c(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1 37867385 CFZVWVAFEGLKOB-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA Brc1cc2ccc1CCc1ccc(cc1Br)CC2 136320366 YTVHCBMSDDDSSN-UHFFFAOYSA-N 366.096 5.095 0 50 FKAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@@]43CCC(=O)O3)[C@]2(C)CC1 253501927 OKMHWOWJDRPCCT-MRNSMMEXSA-N 356.506 5.165 0 50 FKAA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3C=C[C@]12C 257348081 BEDPXTVFPSLUPA-XGMMTWQKSA-N 372.593 6.401 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl 641006 SSKKWBCOWZDNRK-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Cc1cccc(-c2cc(C(=O)Nc3cccc(C)n3)c3ccccc3n2)c1 670611 RNKCZEIFKLWBFL-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccccc1Cl 1193726 DXDMJLMXJROEDO-UHFFFAOYSA-N 357.818 5.019 0 50 FKAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc2ccccc2o1 1204621 LTIZSPJXPNQBET-UHFFFAOYSA-N 370.433 5.962 0 50 FKAA COP(=O)(OC)[C@H](Nc1cccc(C(F)(F)F)c1)c1cccc(C)c1 2496339 GSUUTJVLPYXSIT-INIZCTEOSA-N 373.311 5.610 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 2816630 BUIRYWHVSALVPQ-UHFFFAOYSA-N 374.267 5.944 0 50 FKAA CCCc1ccc(Oc2c(-c3ccc(OCC)c(C)c3O)n[nH]c2C)cc1 4755507 FGUVQBRVLOZUOC-UHFFFAOYSA-N 366.461 5.543 0 50 FKAA Clc1ccc(C(c2ccc(Cl)cc2)n2nc3ccccc3n2)cc1 5519704 OKLKESBUFPBWFM-UHFFFAOYSA-N 354.240 5.376 0 50 FKAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cc(F)ccc3F)C2)c1 15004391 DAEXKOKLLGHFGG-KRWDZBQOSA-N 367.443 5.043 0 50 FKAA COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1Cl 36620725 RZEFJILJRHUXJJ-KRWDZBQOSA-N 374.868 5.035 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@@]12C 253614818 FEGCPHIPSRBREU-BNWXYIIPSA-N 374.565 5.283 0 50 FKAA CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccccc1Oc1ccccc1F 299761124 RTGPTLZOOMROPP-INIZCTEOSA-N 372.440 5.041 0 50 FKAA O=C(NC[C@@H]1C[C@H]1c1cccs1)c1cc(-c2ccc3ccccc3c2)on1 1857799153 PBPLUZTZKCWFAV-ZWKOTPCHSA-N 374.465 5.090 0 50 FKAA COc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 1184041 DGICYTXGOJURRC-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA Cc1sc2ncnc(Oc3ccc4ccccc4c3)c2c1-c1ccccc1 2679240 MSOFTNGZMZXREK-UHFFFAOYSA-N 368.461 6.612 0 50 FKAA Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc21 2740475 QLNCQZKYSPFEBU-UHFFFAOYSA-N 367.374 5.685 0 50 FKAA CC(C)(C)SCCNC(=O)CSC1c2ccccc2-c2ccccc21 2821345 NLTJCDZWUWRXOJ-UHFFFAOYSA-N 371.571 5.138 0 50 FKAA COc1cccc(CCC(=O)Nc2ccc(Cl)cc2Cl)c1Cl 4542808 HFWOCCJLXNARGN-UHFFFAOYSA-N 358.652 5.227 0 50 FKAA CCCC[C@@H](CC)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 4704447 UIQZAKXJNILHRO-MRXNPFEDSA-N 368.477 5.102 0 50 FKAA c1ccc(COc2ccc(CN3CCCC[C@H]3c3cccnc3)cc2)cc1 4982713 BIVROWHLXHWKAU-DEOSSOPVSA-N 358.485 5.388 0 50 FKAA CCCC[C@H](CC)COC(=O)CCCCC(=O)OC[C@H](CC)CCCC 12359968 SAOKZLXYCUGLFA-BGYRXZFFSA-N 370.574 6.066 0 50 FKAA endogenous,in-man O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1 15837413 OHGYAVZKSKBNJE-MSUUIHNZSA-N 365.436 5.191 0 50 FKAA Cc1ccc(N(c2ccc(C)cc2)c2ccc(Br)cc2)cc1 22013744 YMNJJMJHTXGFOR-UHFFFAOYSA-N 352.275 6.536 0 50 FKAA in-vitro c1ccc(Oc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1 32288827 GQGTXJRZSBTHOB-UHFFFAOYSA-N 354.405 7.064 0 50 FKAA Cc1c(CNC[C@](C)(O)C2CCC(C(C)C)CC2)ccc2ccccc12 2325841640 BVJYXQWLAKVHML-HTIOENIKSA-N 353.550 5.451 0 50 FKAA COc1ccc([C@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1 599006 UTUUPXBCDMQYRR-HSZRJFAPSA-N 373.496 5.786 0 50 FKAA in-vitro C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 820008 AJSSUXHVZZFHQJ-GOSISDBHSA-N 368.480 5.047 0 50 FKAA O=C1C(Nc2ccccc2)=C[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 825200 NUVINAWRXAHZNE-NRFANRHFSA-N 360.844 5.424 0 50 FKAA Cc1cc(Br)cc(C)c1NC(=O)c1cccc(OC(C)C)c1 1156783 NRGZPLHMAOZTSC-UHFFFAOYSA-N 362.267 5.105 0 50 FKAA Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 1172156 PZLVADJHMSGALH-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA Cc1ccc2ccc(S(=O)(=O)Oc3ccc(C(C)C)c(C)c3)cc2c1 2894890 HQGIENROSWKFPY-UHFFFAOYSA-N 354.471 5.348 0 50 FKAA COc1ccc2[nH]c(SCC(=O)c3ccc(-c4ccccc4)cc3)nc2c1 5015388 RSKKKZRXPGRWJY-UHFFFAOYSA-N 374.465 5.214 0 50 FKAA Cc1ccc(-c2csc(NC(=O)c3csc4ccccc34)n2)s1 17073698 NQHZKCPUZCMQEU-UHFFFAOYSA-N 356.497 5.647 0 50 FKAA COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]32)cc(Cl)c1OC 35360468 SAMQLRWUOSLIIC-UAOJZALGSA-N 373.880 5.300 0 50 FKAA O=C(c1ccccc1-c1ccccc1F)N1CCCC[C@H]1c1nccs1 220450966 ZDYZQZMKFQLEQA-IBGZPJMESA-N 366.461 5.317 0 50 FKAA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[C@@]1(C)CCC(=O)O1 253498555 KYUZKRJIOGSDGT-QDUWDTIESA-N 372.549 5.022 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(C(=O)c3cccs3)cc2)cc1Cl 645829 VDGSFVJOXLAAAO-UHFFFAOYSA-N 355.846 5.193 0 50 FKAA COc1ccc2c(Cl)c(C(=O)NCc3ccccc3)sc2c1Cl 780475 NOOPDMVQMGACKJ-UHFFFAOYSA-N 366.269 5.147 0 50 FKAA O=C(/C=C/c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 1112975 GZNFQZXOXWQLQN-RMKNXTFCSA-N 370.168 5.120 0 50 FKAA CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(C(C)=O)cc1 1147960 RYUSEUZTOIAEBJ-INIZCTEOSA-N 370.499 5.008 0 50 FKAA Cc1ccccc1Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 1184764 KNAVHBAXJNHIAQ-UHFFFAOYSA-N 368.845 5.622 0 50 FKAA Cc1c(NC(=O)c2cc3ccccc3o2)cccc1-c1nc2ccccc2o1 1204107 ZTUYGULJQOBQIA-UHFFFAOYSA-N 368.392 5.802 0 50 FKAA O=C(Nc1ccc(Br)c2ccccc12)c1ccccc1Cl 2818753 CADKYCVNKGHQSL-UHFFFAOYSA-N 360.638 5.508 0 50 FKAA CC(C)(C)c1ccc(OCc2ccc(C(=O)NCc3ccccc3)o2)cc1 2835797 PGIMRQOPMXISPA-UHFFFAOYSA-N 363.457 5.086 0 50 FKAA COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1 4301193 NOCARNSZIVOOID-QFIPXVFZSA-N 362.860 5.704 0 50 FKAA CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OCC 4543647 ITNKVODZACVXDS-YATCGRJWSA-N 356.550 7.027 0 50 FKAA CCOc1ccc(NCCC(=O)c2ccc(C3CCCCC3)cc2)cc1 5949226 DMEMFOVAYIMVSC-UHFFFAOYSA-N 351.490 5.818 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 12195471 GIZWTAHQOFLVSD-IFMALSPDSA-N 360.844 5.582 0 50 FKAA N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cccc(Cl)c1Cl 17075510 FORWMCGKJULYBX-UHFFFAOYSA-N 367.619 5.125 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1cccs1 169744633 UKTDFYOZPFNQOQ-UHFFFAOYSA-N 373.194 5.804 0 50 FKAA Cc1ccc(-c2c(C)sc3nc(-c4nc5ccccc5o4)[nH]c(=O)c23)cc1 225517732 OZTMYFCWEGOPFZ-UHFFFAOYSA-N 373.437 5.077 0 50 FKAA CCCn1c(C(=O)OC[C@@H]2CCC3(CCCCC3)O2)cc2ccccc21 1875357759 VSWXVGYEUXXBAX-SFHVURJKSA-N 355.478 5.090 0 50 FKAA COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1 2764473 IWIXVWOPELQKDC-UHFFFAOYSA-N 371.820 5.081 0 50 FKAA O=C(NCc1ccccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 2854675 JXJYYLOTLDISCL-FQEVSTJZSA-N 367.901 5.490 0 50 FKAA Fc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccs2)c(F)c1 4010616 RWRSYHSHQMOSDZ-SFHVURJKSA-N 374.843 6.035 0 50 FKAA CCn1c2ccccc2c2cc(CNCCc3ccc(OC)cc3)ccc21 4685564 NTZPICZOYUKDSO-UHFFFAOYSA-N 358.485 5.155 0 50 FKAA Clc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19319711 ZOVAIRVHHRBJCG-UHFFFAOYSA-N 362.904 5.357 0 50 FKAA Cc1ccccc1CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 42453701 MQUQLEAGXNJXRJ-KRWDZBQOSA-N 367.443 5.043 0 50 FKAA CCCC[Sn](CCCC)(CCCC)C1=CCCO1 170164495 QTYBKWIPVOTUQI-UHFFFAOYSA-N 359.142 5.679 0 50 FKAA Cc1c(-c2ccccc2)sc2nc([C@@H]3CCCC(F)(F)C3)[nH]c(=O)c12 225839988 DDDAQWFNAWOMEM-CYBMUJFWSA-N 360.429 5.253 0 50 FKAA Oc1nc([C@@H]2CCCC(F)(F)C2)nc2scc(-c3cccs3)c12 242197006 XGXOBFUJGKBBSL-SECBINFHSA-N 352.431 5.418 0 50 FKAA O=Cc1cc(Br)ccc1OCc1c(Cl)cccc1Cl 1139962 PRKVQIVZOHHRTQ-UHFFFAOYSA-N 360.034 5.147 0 50 FKAA CCCCCC(=O)N[C@@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 1787067 IXWKRCSAFHTNFZ-OAHLLOKOSA-N 365.732 5.108 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1c(Cl)cc(Cl)cc1Cl 4794771 URUHUZPTXBMGIF-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Cc1ccc(-c2nc(CN(C)Cc3cc4ccccc4s3)c(C)o2)o1 23505129 UPRIVYGKIMVFTG-UHFFFAOYSA-N 352.459 5.398 0 50 FKAA CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 71769748 HBGDYSUQFCIKDU-HLXSIYPQSA-N 367.577 5.744 0 50 FKAA Brc1ccc(-c2ccc(Br)c3ccccc23)cc1 168914204 APZXILAQCHOANP-UHFFFAOYSA-N 362.064 6.032 0 50 FKAA in-vitro Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3c3cccnc3)cc2)c(C)n1 426502982 NAKFKQDACUGDAP-HSZRJFAPSA-N 371.484 5.128 0 50 FKAA Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2 1772502158 CWOQABCIBLOZFO-UHFFFAOYSA-N 352.864 6.703 0 50 FKAA C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](C)c1ccccc1C(F)(F)F 1875306019 PRKJSCWZXXLUGN-NEPJUHHUSA-N 370.802 5.673 0 50 FKAA Cc1ccc2cccc(Oc3ncnc4sc5c(c34)CCCCC5)c2n1 628296 BBBVLTNMOQHHCR-UHFFFAOYSA-N 361.470 5.609 0 50 FKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 752634 BOOQWZRLUWHRRL-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)c1 1150547 BDMPHHHEBJWMDK-UHFFFAOYSA-N 372.468 5.623 0 50 FKAA CCc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 1156909 VVNRCDAKSXNPEO-UHFFFAOYSA-N 360.240 6.068 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 1204726 FCHXXFDIQYLBPR-UHFFFAOYSA-N 354.233 5.043 0 50 FKAA Cc1cc(Br)cc(C)c1NC(=O)/C=C/c1ccc(C(C)C)cc1 2999629 LCSNQARGQVKZOE-JXMROGBWSA-N 372.306 5.841 0 50 FKAA COc1ccc(C(C)(C)C)cc1NC(=O)c1c(-c2ccccc2)noc1C 3552047 IIWDEFQLOFQRBQ-UHFFFAOYSA-N 364.445 5.208 0 50 FKAA O=C(Nc1ccncc1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 6829866 ZDDFSNBYFLYPNR-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA Cc1c[nH]c(CN2CC[C@@H](c3ccc(F)c(F)c3)Sc3ccccc32)n1 12217438 DGXRLCLIQUWPMR-SFHVURJKSA-N 371.456 5.240 0 50 FKAA CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([C@H]2CCCCO2)s1 97495155 NFOFADRBJQBMMW-HXUWFJFHSA-N 367.518 5.012 0 50 FKAA COc1cnc(/C=C/c2ccccc2Oc2cc(Cl)ccc2C)nc1O 1875349162 OWYAZWSWJFLLPB-CSKARUKUSA-N 368.820 5.115 0 50 FKAA COc1cc(C)c(C[C@H](C)N[C@H](C)c2cccc(C3CC3)c2)cc1OC 2325829233 CRYDICBACFPFQN-DLBZAZTESA-N 353.506 5.171 0 50 FKAA O=C1C[C@H](c2ccccc2F)c2cc(Br)c3ccccc3c2N1 672619 VOLQBDBBOLCZKE-CQSZACIVSA-N 370.221 5.216 0 50 FKAA COc1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 1111119 IPDHWSXIVNHNOZ-UHFFFAOYSA-N 363.482 5.548 0 50 FKAA CCc1ccc(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1 1114283 JWKCEPIORGKBKG-UHFFFAOYSA-N 372.493 5.456 0 50 FKAA CC(C)(C)[C@@H]1CC=C2C(=C(Nc3ccccc3)C(=O)N2c2ccccc2)C1 1424281 XRFRIEBJLCJFKJ-QGZVFWFLSA-N 358.485 5.739 0 50 FKAA Cc1cccc(-n2c(=S)[nH]c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 1748217 XXXHLMLWWDGERK-UHFFFAOYSA-N 374.509 5.238 0 50 FKAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccccc3F)ccc12 1797587 QDLMCBMNTZAHDX-UHFFFAOYSA-N 374.411 5.410 0 50 FKAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(F)cc2)c2ccccc2)cc1C 2751302 OCSSPPRLMWYJLH-JOCHJYFZSA-N 362.400 5.224 0 50 FKAA O=c1c2ccccc2nc(/C=C\c2ccccc2Cl)n1-c1ccccc1 4724539 FASYYMGRKIELSJ-PFONDFGASA-N 358.828 5.210 0 50 FKAA Cc1ccccc1NC(=O)Nc1nnc(/C=C/c2ccccc2Cl)s1 5102550 TZJFWOXBUHWVGJ-ZHACJKMWSA-N 370.865 5.314 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 5228776 GFHOQCXDABGYAL-KTUMBQNLSA-N 360.538 5.166 0 50 FKAA Cc1ccccc1C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292107 MGKLBYVBVNONPZ-UHFFFAOYSA-N 354.812 5.030 0 50 FKAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1oc2cc(OC)ccc2c1C 91321542 CWKUNDWKCGFUOW-IBGZPJMESA-N 366.461 5.148 0 50 FKAA O=C(C[C@@H](c1cccc(Cl)c1)[C@H]1CCCCCCC1=O)c1ccccc1 624372 COCTZSLDXMVZNK-RTWAWAEBSA-N 368.904 6.236 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 666236 KSORTVKKMYMHFI-UHFFFAOYSA-N 368.392 5.802 0 50 FKAA Cc1cc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)oc2cc1C 688788 FNBPNHXGRKUJOV-UHFFFAOYSA-N 366.804 5.610 0 50 FKAA Cc1nc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc1C 1000085 OVSCENQPMBLDCG-KRWDZBQOSA-N 354.500 5.232 0 50 FKAA CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(OCC)cc1 1184151 LMBWIVAAIZDUIC-UHFFFAOYSA-N 356.447 5.007 0 50 FKAA CC(C)(C)c1cc(NCc2ccccc2)n2ncc(-c3ccccc3)c2n1 2352403 OHLWFKBGMHEKQP-UHFFFAOYSA-N 356.473 5.306 0 50 FKAA Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 4282003 IPFAHQMMJIBHEM-GHTZIAJQSA-N 364.832 5.484 0 50 FKAA FC(F)(F)c1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 4600217 YPIKFCFDNXZQLX-UHFFFAOYSA-N 369.140 5.185 0 50 FKAA O=C(/C=C\c1ccccc1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 5045999 KBHRYEGZISFTLS-RAXLEYEMSA-N 374.827 5.800 0 50 FKAA COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCCC2)c1 5235437 CJSMZRKLOOXNPP-IBGZPJMESA-N 368.864 5.162 0 50 FKAA Cc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3c(C)cccc23)no1 6789530 WGRDBABSZQBRDO-UHFFFAOYSA-N 371.440 5.376 0 50 FKAA O=C(NCc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 13320431 ZKFJSGNNBNYJFJ-UHFFFAOYSA-N 363.166 5.334 0 50 FKAA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@H](C)CCO 30320745 KLGBTYNAYAZPFD-YGRYZZMUSA-N 360.626 7.931 0 50 FKAA in-vitro O=C1CC[C@@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)c3cccc1c32 184365028 OAARJNZVSSBLGS-LJQANCHMSA-N 353.421 5.074 0 50 FKAA COc1ccc(OC)c(Nc2nc(-c3ccc4ccccc4c3)cs2)c1 643757 TUCBMTJPVKYXPH-UHFFFAOYSA-N 362.454 5.724 0 50 FKAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(F)cc2)c2ccccc2)cc1C 992892 OCSSPPRLMWYJLH-QFIPXVFZSA-N 362.400 5.224 0 50 FKAA O=C1C[C@H](c2cc(Br)ccc2F)c2c(ccc3ccccc23)N1 1059779 GILBQBZGJZQRAS-OAHLLOKOSA-N 370.221 5.216 0 50 FKAA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2cc1OC 1165807 LSNHYIUHTJNJLO-UHFFFAOYSA-N 366.310 5.189 0 50 FKAA COc1ccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc1 1180311 SSEFAIMFYUFFKX-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA biogenic O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc2ccccc12 1180845 ITFWAGRECFIIJD-JLHYYAGUSA-N 366.873 5.020 0 50 FKAA CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC 1204925 PTNHSHKSDSHNFB-UHFFFAOYSA-N 354.233 5.043 0 50 FKAA c1ccc(C2(c3ccccc3)O[C@@H](c3cccnc3)Nc3ccccc32)cc1 4183995 JYLLEPFNOLJUCW-DEOSSOPVSA-N 364.448 5.514 0 50 FKAA Cc1c(-c2ccccc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 4626120 YVIWQAISOGYYJY-UHFFFAOYSA-N 362.436 5.434 0 50 FKAA Cc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 39959758 YJRNBWPZWTVCHX-LJQANCHMSA-N 352.890 6.066 0 50 FKAA CC(C)n1c(C=O)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1C(=O)O 44127110 INIRCALXDSYBPU-UHFFFAOYSA-N 369.367 5.192 0 50 FKAA C1=C[C@H]2C[C@H]1[C@H]1[C@H]2[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 104296348 BMQRTDMCYKLBQY-OWDWQQKZSA-N 362.472 5.656 0 50 FKAA CCNc1nc(C)c(C(=O)N(C)[C@@H](CCC(C)C)c2ccccc2)s1 952990857 XOHZWCVQCAAHCP-KRWDZBQOSA-N 359.539 5.133 0 50 FKAA CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1-c1ccccc1 938637 CEJJXKDOBNLZHM-UHFFFAOYSA-N 371.483 5.214 0 50 FKAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 1143455 WGIIHDSMANNZPW-UHFFFAOYSA-N 372.896 5.628 0 50 FKAA CCc1cc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2cc1OC 1155593 XUMDYZMUVNWJMZ-UHFFFAOYSA-N 372.420 5.823 0 50 FKAA CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 1444556 NQPDXQQQCQDHHW-UHFFFAOYSA-N 359.665 6.037 0 50 FKAA aggregator,biogenic,world COc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1 2409253 TXWWQVSUOWWONA-UHFFFAOYSA-N 362.454 5.208 0 50 FKAA CCOc1ccc(C(=O)CCSc2ccc(Br)cc2)cc1 2519800 WBUPGSAIDLZGBZ-UHFFFAOYSA-N 365.292 5.213 0 50 FKAA Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 3181909 XMTXTJFNXDUCAX-UHFFFAOYSA-N 370.477 6.038 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1 43208218 IGRCWJPBLWGNPX-UHFFFAOYSA-N 361.228 5.233 0 50 FKAA in-vitro CC[C@@H](O)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746333 VSFMJFFDYLVSBU-GOSISDBHSA-N 357.453 5.187 0 50 FKAA in-vitro O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 713725 ZCPXCLXSRHZOFN-LJQANCHMSA-N 369.251 5.765 0 50 FKAA COc1ccc([C@@H](CC(=O)c2ccccc2)Sc2ccccc2N)cc1 754463 HWPQIBQOCNDZBR-JOCHJYFZSA-N 363.482 5.384 0 50 FKAA O=C(c1ccc(-c2ccccc2)cc1)c1cnc(Nc2ccccc2)s1 1395946 UWNADGULVSWXMS-UHFFFAOYSA-N 356.450 5.785 0 50 FKAA CCCC[C@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 2207669 KQRNFZDKZGTCJL-SGTLLEGYSA-N 364.898 5.509 0 50 FKAA COc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)oc12 2964110 YZUNQMBIMWRGBO-UHFFFAOYSA-N 369.829 5.246 0 50 FKAA CCc1cccc(CC)c1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 4542079 AGIZPFARGYNWFL-BUHFOSPRSA-N 361.510 6.192 0 50 FKAA CC(C)[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 5498393 IBKVVCZBZGCZNI-PKOBYXMFSA-N 361.272 5.519 0 50 FKAA CC[C@H](C)c1ccc([C@H](CC)NC(=O)Nc2cccc(SC)c2)cc1 13320025 VYQFFZCGEBRWGN-YWZLYKJASA-N 356.535 6.195 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF 13766073 HMMNZALKMVCHHZ-FQPARAGTSA-N 363.561 6.464 0 50 FKAA in-vitro CCCC[C@H](CC)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169818741 LAKBGBXQBHJKSB-QHCPKHFHSA-N 372.628 5.373 0 50 FKAA Cc1nc(-c2ccccc2)sc1-c1ccnn1-c1ccc(Cl)cc1 221553536 PLYHYGODSJBSCG-UHFFFAOYSA-N 351.862 5.625 0 50 FKAA O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12 709344 LCUJVPKQAPUUAQ-UHFFFAOYSA-N 362.610 5.016 0 50 FKAA COc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 828371 CAISBOLWNVMBDP-HTAPYJJXSA-N 372.468 5.287 0 50 FKAA O=C(NCc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 1151336 DFAIWPAMJUEQQQ-UHFFFAOYSA-N 350.418 5.338 0 50 FKAA CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(OC)cc1 1186345 YGOGOALFGYSAPI-UHFFFAOYSA-N 358.488 5.085 0 50 FKAA CC(=O)C(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 1392888 AVCXJSWIMGAVHI-UHFFFAOYSA-N 374.324 5.715 0 50 FKAA CCOc1cc(C(=O)Nc2ccccc2F)ccc1OCc1ccccc1 2835641 SPLNBZUPBIBEBW-UHFFFAOYSA-N 365.404 5.056 0 50 FKAA Oc1c(C2CCCCC2)cc(CN2CCCCC2)cc1C1CCCCC1 2848836 FWLHFVJLMPECPV-UHFFFAOYSA-N 355.566 6.474 0 50 FKAA Cc1cc(Br)ccc1NC(=O)CSc1ccc(Cl)cc1 2918084 VFPLXSOVQRHCAN-UHFFFAOYSA-N 370.699 5.142 0 50 FKAA Clc1ccc(Cc2nc(NCc3ccccc3)c3ccccc3n2)cc1 3063769 BXLORPNSOJMBMB-UHFFFAOYSA-N 359.860 5.486 0 50 FKAA COc1ccc([C@H](CCNC[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 4029642 FWQXNBIMBQJMNO-WMZHIEFXSA-N 367.533 5.012 0 50 FKAA biogenic CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO 96300371 XOYVLIGJHWVUFH-ZVBGTZBRSA-N 359.554 5.405 0 50 FKAA in-vitro O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1cccc(F)c1Cl 225432636 WLIKDMPUNAWRJN-UHFFFAOYSA-N 361.750 5.677 0 50 FKAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(Cl)c(Cl)c1 669701 RAYWFGZUPGVGRG-NSHDSACASA-N 372.679 5.039 0 50 FKAA Cc1ccc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2n1 670992 URCVVXWRRVBIIO-UHFFFAOYSA-N 366.464 5.704 0 50 FKAA Cc1c(CC(Cl)(Cl)Cl)c2c(n1-c1ccc(F)cc1)CCCC2=O 718598 IGJHDAOBKMWASW-UHFFFAOYSA-N 374.670 5.357 0 50 FKAA O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 835847 NQDZETIOVWKWJB-UHFFFAOYSA-N 371.358 5.390 0 50 FKAA CC(C)Oc1ccc(Nc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 954168 RRWROXVHWUIESP-ZDUSSCGKSA-N 353.491 5.347 0 50 FKAA CCc1ccc(NC(=O)c2ccccc2NC(=O)CCc2ccccc2)cc1 1125502 FHZJLJMHNBVBLO-UHFFFAOYSA-N 372.468 5.073 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3cccc(Br)c3)ccc12 1153271 OFQOQLMNIILTJV-UHFFFAOYSA-N 373.246 5.087 0 50 FKAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccnc1 1167852 MOVMCUAKINHECE-UHFFFAOYSA-N 365.845 5.264 0 50 FKAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccc(Cl)cc1 1925966 DXKPHIBXOIONDQ-OVCLIPMQSA-N 363.844 5.571 0 50 FKAA COc1ccc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)cc1 2752223 SOQYSEZGCXQNMK-UHFFFAOYSA-N 373.408 5.273 0 50 FKAA Cc1ccn2c(-c3csc(Nc4ccccc4Cl)n3)c(C)nc2c1 5612742 BLICEQFBHTWSME-UHFFFAOYSA-N 354.866 5.472 0 50 FKAA CCCn1c(SCc2csc(-c3ccccc3C)n2)nnc1C1CC1 6400395 VXNRNLZXVRUCFF-UHFFFAOYSA-N 370.547 5.290 0 50 FKAA Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 20615392 CEAWJSXVXAXZQG-UHFFFAOYSA-N 371.337 5.612 0 50 FKAA Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cn2)c1C 1875335258 YUYRFRHQBTUMNY-UHFFFAOYSA-N 366.848 5.325 0 50 FKAA Cc1cccc(-n2nc([C@H]3CC34CC4)nc2-c2csc(-c3ccoc3)n2)c1 2325829070 ZPSSMGLNRYQLNY-MRXNPFEDSA-N 374.469 5.227 0 50 FKAA Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 1172218 DDFYHQUTUYFHEE-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA O=C(CSc1nc2ccccc2s1)c1ccc2c(c1)Cc1ccccc1-2 2166502 OLZYGQAILMYKOZ-UHFFFAOYSA-N 373.502 5.843 0 50 FKAA CCC(NC(=O)Nc1ccc(C)c(Cl)c1)(C(F)(F)F)C(F)(F)F 2871159 MHNHCMDZYGYQQE-UHFFFAOYSA-N 362.701 5.043 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)cc1 5756378 NXOQQTKBXDGCHE-LADGPHEKSA-N 370.452 5.246 0 50 FKAA Cc1ccc(OC(=S)O[C@@H]2CC[C@]3(C)CC(C)(C)[C@H]4CCC[C@]243)cc1 71786256 PDYHYIAFRIRZLX-MCEIDBOGSA-N 358.547 6.060 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[C@@]1(C)CCC(=O)O1 245238340 KYUZKRJIOGSDGT-ALRWSWPCSA-N 372.549 5.022 0 50 FKAA Cc1ccccc1[C@@H](CC(C)C)NC[C@H](CO)Cc1ccccc1Cl 2325842256 SFQXKESOTINGDY-XMSQKQJNSA-N 359.941 5.176 0 50 FKAA CCn1c(SCc2c(C)c(C)c(C)c(C)c2C)nc2ccccc2c1=O 633189 RSERFLXBGIVBFR-UHFFFAOYSA-N 366.530 5.251 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccccc1 716710 PYZJCMWAOWYQKL-UHFFFAOYSA-N 372.251 5.737 0 50 FKAA COc1ccccc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1C 752652 PULFKHZBWHYLKI-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA Cc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(C)cc3)c2C)cc1 825815 XQSAWAPSDARTCA-UHFFFAOYSA-N 360.409 5.050 0 50 FKAA O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 1167811 CIXDHVNOTHDRAG-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA O[C@]1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)c2ccccc21 1760841 ADZZBNYBYSNNGJ-MHZLTWQESA-N 360.456 5.895 0 50 FKAA COc1cccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCCCC5)c1 2096185 IUGLIGAVASEZBR-UHFFFAOYSA-N 374.436 5.792 0 50 FKAA biogenic CCN(CC)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2747336 JTTFQASASWMGSY-UHFFFAOYSA-N 374.912 5.292 0 50 FKAA Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 2982472 ZQOFJCYIQHDHIS-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA O=C(C[C@H](C(=O)O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 5344397 GDGRFVFYMJTMAH-ZDUSSCGKSA-N 357.620 5.088 0 50 FKAA Cc1cccc(-c2c[nH]nc2C2CCN(Cc3cccc(F)c3F)CC2)c1 20536084 GJWSMMNVRRRCDR-UHFFFAOYSA-N 367.443 5.043 0 50 FKAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253499203 HIAJCGFYHIANNA-PYYYNQSDSA-N 374.565 5.427 0 50 FKAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 494043199 YZBDHRDBHVLASP-JKSUJKDBSA-N 367.798 5.121 0 50 FKAA C[C@H](NC(=O)CC1(n2cccc2)CCCCC1)C12CC3CC(CC(C3)C1)C2 888103891 IIEFOTYVFQUWCZ-OBHCEDRKSA-N 368.565 5.259 0 50 FKAA Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 865380 QEVXXYFERDNXES-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1nc(-c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cs1 1071755 UTNBJSBJJAFPHR-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C)c(C)c2)C3=O)cc1 1118473 IKXBVFWRORAVIH-UHFFFAOYSA-N 357.409 5.205 0 50 FKAA Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 1158119 CBROEPINALBLFV-RUDMXATFSA-N 350.643 5.063 0 50 FKAA C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)no1 2357085 UQGGUMGZIQAZHZ-SECBINFHSA-N 369.635 5.837 0 50 FKAA CCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3)c(Cl)cc12 2898889 VXTDIKASPIISGI-UHFFFAOYSA-N 360.812 5.507 0 50 FKAA CCc1cc(-c2[nH]nc(C)c2Oc2ccccc2)c(O)cc1OC(C)C 4755870 WKXXNJWKZISLGE-UHFFFAOYSA-N 352.434 5.233 0 50 FKAA Cc1ccc([C@H](CCN[C@@H](C)c2ccc(Cl)cc2)c2ccco2)cc1 4872642 PEGLORYKIOVUDR-UWJYYQICSA-N 353.893 6.114 0 50 FKAA Clc1ccc(Cc2noc(/C=C/c3ccccc3Cl)n2)c(Cl)c1 4978210 UHZGGGMDBLEUJO-SOFGYWHQSA-N 365.647 5.791 0 50 FKAA CCCCOc1ccc([N+](=O)[O-])c2c(OCCCC)ccc([N+](=O)[O-])c12 5309436 XLMZOWRZNHNYRG-UHFFFAOYSA-N 362.382 5.014 0 50 FKAA CC[C@H](C)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 5949847 ZJPGYKOXSAENRK-AWEZNQCLSA-N 360.295 5.648 0 50 FKAA c1coc(CN2CC[C@H](c3ccnc(-c4cc5ccccc5s4)c3)C2)c1 65525789 JJJNZPZKNFLOAL-SFHVURJKSA-N 360.482 5.546 0 50 FKAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cc(C)nc2cc(F)ccc12 82157460 PASCUZZJGWYYMY-OAQYLSRUSA-N 365.452 5.081 0 50 FKAA Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1Cl 678896 KDRJOQYJTVYHGE-UHFFFAOYSA-N 373.692 5.082 0 50 FKAA Clc1cccc(Cl)c1Cn1c(-c2cncs2)nc2ccccc21 980411 AQMVJBABKWSIEQ-UHFFFAOYSA-N 360.269 5.515 0 50 FKAA CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1C(=O)OC(C)C 997486 ZMSJZDPRXFRCMD-UHFFFAOYSA-N 365.882 5.090 0 50 FKAA O=C(CCc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 1119448 SLBBOGZDAHAXKJ-UHFFFAOYSA-N 358.466 5.535 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Br 1120982 SNZOFELIDQCUOX-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(Cl)c1 1738657 BUKRZUGGDPZHJS-UHFFFAOYSA-N 364.857 5.869 0 50 FKAA OCc1cn(-c2ccccc2Cl)nc1-c1cc(F)c(Cl)cc1Cl 2544764 YPSTWVWHNPJHGG-UHFFFAOYSA-N 371.626 5.131 0 50 FKAA O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSC1CCCCC1 2815852 QURGLPWRCOGJHG-VQHVLOKHSA-N 358.334 5.189 0 50 FKAA CCOc1ccc(OCCCCOc2ccc(Br)cc2)cc1 2984112 NPVVSAPCOBVVII-UHFFFAOYSA-N 365.267 5.086 0 50 FKAA O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3F)[C@H]12 4680982 ZZVXVMRMJNDKKA-UGKGYDQZSA-N 359.425 5.606 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3cccc(C)c3n2)cc1C 6789485 ZTHXWMLSKQYQNU-LJQANCHMSA-N 372.512 5.842 0 50 FKAA COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)[C@H]2CCCCC2=O)cc1 22258619 ZDEUPEMTSXKICC-WOJBJXKFSA-N 370.876 5.465 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](C1CCCCC1)C2=O 253596638 UJSMXKNMJUHGOA-QMNWTONBSA-N 370.577 5.686 0 50 FKAA Cc1ccccc1C[C@H](CO)CN[C@H](CC(C)C)c1ccc(Cl)cc1 2325842305 UFLIDLJUMYVEHH-PGRDOPGGSA-N 359.941 5.176 0 50 FKAA O=C(Nc1cccc2ccccc12)c1cc(-c2ccco2)nc2ccccc12 995142 GBWCCSFJFSSSNJ-UHFFFAOYSA-N 364.404 5.900 0 50 FKAA O=C(NC(=S)Nc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 1179980 SRVAAXWBJMYJHM-UHFFFAOYSA-N 366.873 5.134 0 50 FKAA O=C1C[C@H](c2ccccc2Br)c2c(ccc3ccccc23)N1 2942405 SQPOPMSIKLHKSV-OAHLLOKOSA-N 352.231 5.076 0 50 FKAA COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 5671288 CCEMWVCESFFVSW-NZQKXSOJSA-N 374.415 5.077 0 50 FKAA CC1=C[C@H](C)[C@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccco3)[C@@H]1[C@H]2C 252695340 YMIQZMUWJPTDGH-FBLXOMCDSA-N 366.457 5.043 0 50 FKAA biogenic O=C(c1cccs1)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 1394191 HOSXHROOYHFETC-RBUKOAKNSA-N 367.901 5.504 0 50 FKAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1Cl 2882206 UYPZMXJQXZBDKQ-GFCCVEGCSA-N 352.261 5.524 0 50 FKAA CC[C@H](C(=O)Nc1cc2oc3ccccc3c2cc1OC)c1ccccc1 4699716 CDKIWMOQOONNHP-INIZCTEOSA-N 359.425 5.727 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](C1CCCCC1)O2 4853968 LCGGUXZFRVKMTP-RBBKRZOGSA-N 366.892 5.790 0 50 FKAA C[C@@](O)(c1cc(Cl)ccc1Cl)[C@H](c1ccccc1)c1ccccn1 71767138 UEBGQGFRGHQTJI-WOJBJXKFSA-N 358.268 5.428 0 50 FKAA Cc1ccc(C(=O)NCC(C)(C)c2coc(-c3ccccc3)n2)cc1Cl 1875316211 AUHHOYIXUYLIAG-UHFFFAOYSA-N 368.864 5.011 0 50 FKAA CC[C@@H](C)Oc1ccc(-c2noc(-c3cc4cccc(F)c4o3)n2)cc1 1875335928 MELDZWNRIUYUEJ-GFCCVEGCSA-N 352.365 5.466 0 50 FKAA Cc1cc(C)c(-c2nc(-c3ccccn3)nn2CCC2CCCCC2)s1 1875348033 GMCXYUSUDMNCKO-UHFFFAOYSA-N 366.534 5.656 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)c2cccnc12 640632 ZOTDPZFBAABIEJ-UHFFFAOYSA-N 367.619 5.806 0 50 FKAA Cc1cccc(NC(=O)Oc2ccc(Cl)cc2C(=O)c2ccccc2)c1 641020 OYFIAXIBNVUMTH-UHFFFAOYSA-N 365.816 5.490 0 50 FKAA O=C(NCCc1ccc(F)cc1)[C@@H](Sc1ccccc1)c1ccccc1 1009115 VQNYEJZDOPRHGG-NRFANRHFSA-N 365.473 5.018 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 1079476 SBNNXRBYKRNEEZ-UHFFFAOYSA-N 361.510 5.560 0 50 FKAA CC1=CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2c(C)cc(C)cc21 1190250 ZXXAASNRJMZJBU-UHFFFAOYSA-N 354.881 6.191 0 50 FKAA CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 1200030 YCFHMQNYTUGJCP-INIZCTEOSA-N 364.514 5.676 0 50 FKAA Cc1cccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c1C 1214308 WTNCUWLMUURQTC-GNCHDMCWSA-N 367.492 5.929 0 50 FKAA Cc1cccc(C)c1OC[C@@H](C)NCCC(c1ccccc1)c1ccccc1 2529350 KOHADXOJBXMRAQ-JOCHJYFZSA-N 373.540 5.883 0 50 FKAA CCc1ccc(-c2cn3c([n+]2-c2ccc(Cl)cc2)CCCCC3)cc1 2597929 KQVIFTCXJGUXSH-UHFFFAOYSA-N 351.901 5.374 0 50 FKAA O=c1oc2cc(OCc3ccc4ccccc4c3)ccc2c2c1CCCC2 2995299 KFIOMACITJHIHV-UHFFFAOYSA-N 356.421 5.404 0 50 FKAA O[C@]12CCCC[C@H]1[C@@H](c1cccc(Oc3ccc(Cl)cc3)c1)NCC2 4031333 VTIHRPRDWGOLPD-HBMCJLEFSA-N 357.881 5.088 0 50 FKAA COc1ccc(CN2CCC[C@H](c3[nH]ncc3C(C)C)C2)c2ccccc12 11789350 VOXBOLUHOCXOGH-SFHVURJKSA-N 363.505 5.075 0 50 FKAA CCOc1ccccc1-c1nc(CN(C)[C@@H](C)c2nc(C)cs2)c(C)o1 12762540 WZJJDBNVWBZJTB-AWEZNQCLSA-N 371.506 5.007 0 50 FKAA C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)C1(C)O 15722836 CBNTXTSZXBMDJP-YTFOQLDISA-N 364.316 5.402 0 50 FKAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@H]3c3cc(C(C)C)on3)[nH]c12 91425618 HNFFHFSOWOJCBA-KRWDZBQOSA-N 365.477 5.182 0 50 FKAA C/C(O)=C\[C@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 102278107 BXNFWCOAJXGXQP-SNHZDALGSA-N 360.866 5.123 0 50 FKAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 248255614 OBNLJZTZVKVCMM-AFAVFJNCSA-N 373.374 5.433 0 50 FKAA Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1C 641771 DZPHEXRQSFCTGO-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc2ccccc12 666921 YCDIXHVLDFIUSU-UHFFFAOYSA-N 365.392 5.295 0 50 FKAA Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(Cl)cc3)cc12 845779 UENUYCQLRVTPKP-UHFFFAOYSA-N 368.845 5.268 0 50 FKAA CCOc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 947472 QGLRINVCYPEKBZ-BJMVGYQFSA-N 369.770 5.409 0 50 FKAA O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 1073082 HULCHIJOLDWRAF-UHFFFAOYSA-N 374.387 5.137 0 50 FKAA O=c1c(OCc2ccccc2)c(-c2ccc(Cl)cc2)oc2ccccc12 1791339 YJDJCSOFXGUWMJ-UHFFFAOYSA-N 362.812 5.692 0 50 FKAA Clc1ccc(-c2csc3ncnc(NCCc4ccccc4)c23)cc1 1823346 TVVJHXHLJQWZLC-UHFFFAOYSA-N 365.889 5.666 0 50 FKAA CC(C)c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 2840787 YHKJRQHKDSXWRH-UHFFFAOYSA-N 351.471 5.278 0 50 FKAA Brc1ccc([C@@H](Cc2ccccc2)Nc2ccccn2)cc1 5003334 VZNPIWOMLCGZJN-GOSISDBHSA-N 353.263 5.240 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](C1CCCCC1)O2 13616621 FJALTQDTMYHTAY-XLIONFOSSA-N 372.921 5.851 0 50 FKAA Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1O)C(C)(C)CCC2(C)C 39257798 DYLLZSVPAUUSSB-VQHVLOKHSA-N 364.485 5.814 0 50 FKAA in-vitro CC(C)(C)P(C(C)(C)C)[C@@]1(C)CC1(c1ccccc1)c1ccccc1 71769588 QMLPJDVGNRHGJQ-QHCPKHFHSA-N 352.502 7.214 0 50 FKAA in-vitro Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(F)cc1 647349 GGCOTUPURRDBCP-UHFFFAOYSA-N 362.429 5.663 0 50 FKAA COc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(C)=O)c2)cs1 2861383 PDKZAROGUXUCSC-UHFFFAOYSA-N 373.865 5.174 0 50 FKAA Brc1ccc(OCCCCOc2cccc3cccnc23)cc1 2983604 JDGKFALVHPPGIC-UHFFFAOYSA-N 372.262 5.235 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 2997776 HLKIKESQQSGOHV-UHFFFAOYSA-N 362.267 5.189 0 50 FKAA CCCc1sc(C(=O)N2c3ccccc3C[C@H]2C)cc1Br 6636439 YCZYYARRGFODST-LLVKDONJSA-N 364.308 5.055 0 50 FKAA COc1ccccc1Oc1ncccc1CNc1ccnc2ccccc12 67739465 KVZAHYZFCAAAFJ-UHFFFAOYSA-N 357.413 5.043 0 50 FKAA COc1ccc(C2=N[C@H](c3ccccc3Cl)N3[C@@H]2[C@H]3c2ccccc2)cc1 254798435 MVWBXWFFHHOXPU-USDJYLPVSA-N 374.871 5.276 0 50 FKAA O=C(Nc1nc(-c2ccccc2)c2ccccc2n1)c1ccc(Cl)cc1 1110349 URPLSYBROYNOIS-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA CC(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 1113845 KNZVIGVYEBZBKD-UHFFFAOYSA-N 372.855 6.181 0 50 FKAA CCC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1ccco1 1137370 RWTVLMQWYJEIDE-HXUWFJFHSA-N 351.446 5.142 0 50 FKAA biogenic O=C(c1ccccc1Br)N(C1CCCCC1)C1CCCCC1 2490967 DLNQDASTAUKHJV-UHFFFAOYSA-N 364.327 5.557 0 50 FKAA C[C@H](CCc1ccc(O)cc1)NCCC(c1ccccc1)c1ccccc1 4989497 PYSQGUGELWTMPU-HXUWFJFHSA-N 359.513 5.525 0 50 FKAA CN(C1=NC(=O)[C@@H](c2ccccc2)[C@@H](c2ccccc2)S1)c1ccccc1 5569856 FGCZHNAOOBAQQP-LEWJYISDSA-N 372.493 5.277 0 50 FKAA Fc1ccc(N2N=C(/C=C\c3cccs3)C[C@@H]2c2cccs2)cc1 32608612 NSXDZVXMMSWZQT-IEODJVTJSA-N 354.475 5.970 0 50 FKAA COCCC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 96151104 WXUKYGDEEGVVHG-GOSISDBHSA-N 368.477 5.149 0 50 FKAA C=C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253612482 SCZFJLZMTKPHEI-MQXBWOHBSA-N 354.534 5.993 0 50 FKAA COc1ccc(NC2(C(=O)N(C)[C@@H](C)c3cccs3)CCCCC2)cc1 1506429700 WCROZKFDHAJUGM-INIZCTEOSA-N 372.534 5.091 0 50 FKAA Cc1cc(Br)c(OC(=O)Nc2ccc(C)c(Cl)c2)cc1C 640836 SYALOFZBPHVGGS-UHFFFAOYSA-N 368.658 5.639 0 50 FKAA CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)C(C)(C)C)c3)nc2c1 724726 FHRLXUMFGZBIKJ-AWEZNQCLSA-N 350.462 5.993 0 50 FKAA O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(F)cc1 865377 JHKPHNWZIBXFFQ-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA CCOc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 2852482 VDKHIZAACFNMPU-UHFFFAOYSA-N 372.824 5.149 0 50 FKAA Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4310002 KXPFYQBZZONEAF-JTHBVZDNSA-N 358.416 5.376 0 50 FKAA CCCCCC[C@@H](C)Nc1ccc(N[C@@H](C)CCCN(CC)CC)cc1 4552240 GFVQYDVMTCAVFN-RTWAWAEBSA-N 361.618 6.380 0 50 FKAA c1ccc2c3c([nH]c2c1)[C@H](C1CCCCC1)N(Cc1nccs1)CC3 14954983 QSAXSEXWPIHCHD-NRFANRHFSA-N 351.519 5.304 0 50 FKAA CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)OCC 205409306 ITNKVODZACVXDS-UYXIOUCRSA-N 356.550 7.027 0 50 FKAA CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc3ccnc(O)c3c2)cc1 426515460 CBVMOVSBUTZIFM-HXUWFJFHSA-N 360.457 5.012 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)Oc1cc(Cl)ccc1Cl 640863 XRSPFJBLULIVOO-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccnc1 877668 KBKCETLBPVEATJ-UHFFFAOYSA-N 357.438 5.124 0 50 FKAA CCOc1ccccc1C(=O)NCCC(c1ccccc1)c1ccccc1 996004 BQJZDOWGEXBEJH-UHFFFAOYSA-N 359.469 5.037 0 50 FKAA O=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)Nc1cccc2ccccc12 1078398 ZZXPMIRXXNEVNO-QGZVFWFLSA-N 371.267 6.145 0 50 FKAA O=C(Nc1ccccc1F)c1ccc(COc2ccc(Cl)cc2)cc1 1137381 KZHVDKFZLJYIAW-UHFFFAOYSA-N 355.796 5.310 0 50 FKAA Cc1cc(C)cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1886739 KCHZGRIPHYIITA-UHFFFAOYSA-N 352.261 5.408 0 50 FKAA COc1ccc(-c2nc3c(C(C)(C)C)cc(C(C)(C)C)c(O)c3o2)cc1 2270149 KOLSCRFLAJUDMV-UHFFFAOYSA-N 353.462 5.804 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)s1 2754923 VHYIFKXHZLWANA-UHFFFAOYSA-N 359.454 5.173 0 50 FKAA Cc1ccccc1C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2845830 YXUNXKIAQCLBAA-UHFFFAOYSA-N 370.279 5.821 0 50 FKAA Cc1ccc(C(C)C)c(OCCNC(=O)c2ccc(Cl)cc2Cl)c1 2872936 LYSQOBLWNALWAY-UHFFFAOYSA-N 366.288 5.234 0 50 FKAA CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)CCC 4171224 UCLGIKKXOIONJU-PIAWWSJMSA-N 351.534 5.656 0 50 FKAA COc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542131 RMSPRIPAOAKJDM-ACCUITESSA-N 353.805 5.261 0 50 FKAA CCC[C@@H](NC(=O)Nc1ccc(C)c(F)c1)C12CC3CC(CC(C3)C1)C2 13320184 RXIZTMSJLZUEHL-ILYDUKKLSA-N 358.501 5.641 0 50 FKAA CCCC1CCC(N(C(=O)c2csc([C@@H]3CCCO3)n2)C(C)C)CC1 120540376 APVGXCGKESGWSC-HTWSVDAQSA-N 364.555 5.204 0 50 FKAA C=CC(=C)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC 526061582 DTMQCGFVWWBONL-UHFFFAOYSA-N 370.815 5.286 0 50 FKAA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(Cl)c1 640773 XADYFJLMUXUMDP-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA CCc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 651970 NEMCZNZBZZSYFT-UHFFFAOYSA-N 350.270 6.023 0 50 FKAA CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 708654 KFCBATSEEDAVGD-UHFFFAOYSA-N 366.420 5.357 0 50 FKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc2ccccc12 830165 SZSGHHXOOXSQPM-UHFFFAOYSA-N 350.632 6.052 0 50 FKAA COc1ccc(Cl)cc1NC(=S)Nc1ccccc1-c1ccccc1 1117408 CFZLBPINOWUHEI-UHFFFAOYSA-N 368.889 5.825 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)c1sc2cccc(F)c2c1Cl 1139587 LRXRZAZALZACGE-UHFFFAOYSA-N 373.758 5.965 0 50 FKAA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2C(=O)c1ccccc1F 1150228 RKICTQKACMXNDI-PXNSSMCTSA-N 359.444 5.705 0 50 FKAA Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(F)cc3)n2)c(C)c1 1200655 DDEUWJVEQCKQQL-UXBLZVDNSA-N 352.434 5.218 0 50 FKAA CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1F 1209397 NIVRHNCCZCOSEE-UHFFFAOYSA-N 354.425 5.458 0 50 FKAA Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 2851607 ORHLIBDNYQKFPW-UHFFFAOYSA-N 372.493 6.141 0 50 FKAA Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2997887 WWIUBGJFDCWMCZ-UHFFFAOYSA-N 357.862 5.116 0 50 FKAA Cc1ccc(-c2c[n+]3c(n2-c2cccc(C(F)(F)F)c2)CCCCC3)cc1 5588047 KZRKWPHIMOLATB-UHFFFAOYSA-N 371.426 5.485 0 50 FKAA O=C(OCc1cc(-c2ccc(Cl)c(Cl)c2)on1)c1cccs1 5677505 NFHJFWYMZKAPKU-UHFFFAOYSA-N 354.214 5.067 0 50 FKAA O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2ccccc2o1 5948971 YGDYAWQWJSJPCP-UHFFFAOYSA-N 357.192 6.231 0 50 FKAA Cc1nn(Cc2ccccc2)c2nc(-c3cccs3)cc(C(F)F)c12 20615200 MXGKXZVBFNZHFN-UHFFFAOYSA-N 355.413 5.454 0 50 FKAA O=C(c1ccc(-c2ccc(F)cc2)nc1)N1CCC[C@H](c2ccccc2)CC1 71762792 LDIXKSCVYWJWPO-IBGZPJMESA-N 374.459 5.298 0 50 FKAA CC(C)(C)P(C(C)(C)C)[C@]1(C)CC1(c1ccccc1)c1ccccc1 71769589 QMLPJDVGNRHGJQ-HSZRJFAPSA-N 352.502 7.214 0 50 FKAA in-vitro CCC[C@H](N[C@H](C)[C@H]1CCCCN1)c1ccc(Oc2ccccc2)cc1 2325822366 TVKVSXXHKJQNFL-YSZBQJHXSA-N 352.522 5.440 0 50 FKAA Cc1cccc(-n2nc([C@@H]3CC34CC4)nc2-c2csc(-c3ccoc3)n2)c1 2325829069 ZPSSMGLNRYQLNY-INIZCTEOSA-N 374.469 5.227 0 50 FKAA CCOc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 1165869 WERKHLGNHODIOD-UHFFFAOYSA-N 358.850 5.115 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)C1c2ccccc2Oc2ccccc21 1189029 PUUFKSSYFTUCES-UHFFFAOYSA-N 370.235 5.870 0 50 FKAA O=Cc1c(-c2ccc(Cl)cc2Cl)nc2sc3c(n12)CCCC3 1383936 WKYJTDJVCCGFLG-UHFFFAOYSA-N 351.258 5.061 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1F 1431971 DJRAWPCOMPTWGC-UHFFFAOYSA-N 366.358 5.087 0 50 FKAA C=Cc1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 3237025 NASMFNUJFUANQT-UHFFFAOYSA-N 354.405 5.682 0 50 FKAA biogenic Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3[C@H]2C)c1C 3633835 LECZXZOBEZITCL-MRXNPFEDSA-N 362.452 5.100 0 50 FKAA in-man CC[C@@H](NC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1 13330212 BNULJRGZIGFQED-OAHLLOKOSA-N 367.674 5.375 0 50 FKAA COCc1nn2c(-c3ccc(Cl)cc3)ccnc2c1-c1ccc(F)cc1 71376291 RTDONYHYLFACES-UHFFFAOYSA-N 367.811 5.002 0 50 FKAA CCCCCCC(=O)Nc1ccc(NCCN(CC)CC)c2ccccc12 71767253 LVLHTEIJVUYGQP-UHFFFAOYSA-N 369.553 5.502 0 50 FKAA Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O 110864070 FQZBTBMFMYGFTN-UHFFFAOYSA-N 373.408 5.054 0 50 FKAA Cc1cc(OC(F)F)ccc1NC(=O)N1CCC[C@@H](c2ccccc2)C1 299774114 AJDBSUYRPSRBHW-MRXNPFEDSA-N 360.404 5.008 0 50 FKAA CC(C)c1nc(CN(C)C(=O)c2cccc(-c3cccc(F)c3)c2)cs1 826621369 SYBXVZQYSBDJSH-UHFFFAOYSA-N 368.477 5.345 0 50 FKAA CCCOc1ccc([C@H](C)Nc2noc(-c3ccccc3)c2C(=O)O)cc1 1704305466 WMXUFPZVERYZEA-AWEZNQCLSA-N 366.417 5.002 0 50 FKAA O=C(NC[C@H]1C[C@H]1c1cccs1)c1cc(-c2ccc3ccccc3c2)on1 1857799151 PBPLUZTZKCWFAV-QZTJIDSGSA-N 374.465 5.090 0 50 FKAA Cc1ccncc1NC(=O)N(Cc1ccccc1)c1cccc(Cl)c1 1875331887 YMFZNLWSSHHIRN-UHFFFAOYSA-N 351.837 5.282 0 50 FKAA Cc1cccc(NP(=O)(Nc2cccc(C)c2)Oc2cccc(C)c2)c1 639133 WNSPHMWPHJDCTL-UHFFFAOYSA-N 366.401 6.323 0 50 FKAA CSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1 712580 VDWUUMZZSDTZLO-UHFFFAOYSA-N 350.468 5.424 0 50 FKAA O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccs1 887360 PPJHGGPAHGBCPV-UHFFFAOYSA-N 368.405 5.067 0 50 FKAA Cc1cccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)c1 1183771 ZDXTXXSMQSLKEK-UHFFFAOYSA-N 368.845 5.622 0 50 FKAA CCOc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3ccccc3n2)cc1 1201023 PMSLQLBBXNULQY-KRWDZBQOSA-N 374.484 5.173 0 50 FKAA Fc1cccc(Cl)c1COc1ccc(C(=S)N2CCCCC2)cc1 2830451 KFAGWDICCJKOHY-UHFFFAOYSA-N 363.885 5.220 0 50 FKAA FC(F)(F)c1ccc(Cl)c(Nc2nc(-c3ccncc3)cs2)c1 2860953 GDNXULKQRCLXEA-UHFFFAOYSA-N 355.772 5.621 0 50 FKAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C\c1ccccc1 5044790 PVAOHXMRAPYGBQ-OWBHPGMISA-N 353.425 5.190 0 50 FKAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(OC)c2)C1 5916786 YHBIABXWMLATQH-CYBMUJFWSA-N 372.534 5.132 0 50 FKAA CCC(C)(C)C1CCC(NC(=O)Nc2ccccc2Br)CC1 13745426 BGQVOLLPOFGZTL-UHFFFAOYSA-N 367.331 5.566 0 50 FKAA CC(C)(C)[Si](C)(C)[C@@H](n1ccc2ccccc21)n1nnc2ccccc21 195813932 JIBYLRZDYQMCBW-FQEVSTJZSA-N 362.553 5.481 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2[C@@]1(C)CCC(=O)O1 245238342 KYUZKRJIOGSDGT-UMFWJPOXSA-N 372.549 5.022 0 50 FKAA CCOc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)c2ccccc12 1875319168 RDMVHIVIMHLOQC-UHFFFAOYSA-N 369.486 5.163 0 50 FKAA CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1 608288 GVOUFPWUYJWQSK-UHFFFAOYSA-N 364.441 5.303 0 50 FKAA world Brc1ccc(-c2csc([C@H]3COc4ccccc4O3)n2)cc1 787409 QUEPOPUELWBINP-MRXNPFEDSA-N 374.259 5.085 0 50 FKAA O=C(Nc1c(C(=O)C2CC2)oc2ccccc12)c1ccc(C(F)(F)F)cc1 969940 GAYOXZISRGNTIL-UHFFFAOYSA-N 373.330 5.297 0 50 FKAA Cc1cccc(C)c1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 999786 HJHXBKWXWTXNLS-UHFFFAOYSA-N 361.441 5.216 0 50 FKAA Cc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)cc1C 1116434 GLENDMSFZNRAEV-UHFFFAOYSA-N 365.498 5.007 0 50 FKAA O=C(c1ccc(F)cc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1 1399983 PVDLWXRPBCBBOF-UHFFFAOYSA-N 367.232 5.564 0 50 FKAA Cc1ccc(NC(=O)Nc2cccc3ccccc23)cc1Br 1471000 NTZGRJXWZRMHJZ-UHFFFAOYSA-N 355.235 5.555 0 50 FKAA Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1Br 2886467 ZRSDTIAWHGXNCJ-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1 4795710 FSCOSHSVICEGML-UHFFFAOYSA-N 360.295 5.948 0 50 FKAA Br[C@@]12CC3CC(c4ccccc4)(C1)C[C@](Br)(C3)C2 71782746 HDZZLPCGDPLRGN-DVMLXDCBSA-N 370.128 5.189 0 50 FKAA COC(=O)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl 97757129 LKAIPBOTARIXEL-UHFFFAOYSA-N 352.817 5.373 0 50 FKAA C/C(O)=C\[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 102278036 SABGTQFUQWAQDU-JEFIDEPBSA-N 354.837 5.062 0 50 FKAA O=C(Nc1cccc(-c2cnco2)c1)N1CCCCC[C@H]1c1ccco1 299761358 VRKNDVZLTFWWOA-KRWDZBQOSA-N 351.406 5.084 0 50 FKAA Clc1cccc(Cl)c1CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1 584904420 SRUKOPZYMRZGLU-PMACEKPBSA-N 367.364 5.222 0 50 FKAA O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(Cl)c1 629886 CJPNYXXAQYWMMB-UHFFFAOYSA-N 357.837 5.082 0 50 FKAA O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccc(F)cc1 1107687 STVGIFWRENISBA-UHFFFAOYSA-N 367.763 5.072 0 50 FKAA Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccccc3)c2c1 2079323 DGQYYKIYBYXIPD-UHFFFAOYSA-N 373.839 6.083 0 50 FKAA O=C(O)c1cc(-c2ccc(Br)cc2)nc2c(Cl)cccc12 2549350 QPFWTXKBKGTIOT-UHFFFAOYSA-N 362.610 5.016 0 50 FKAA CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2855391 NCLRUYUHGZFTIP-UHFFFAOYSA-N 356.731 5.205 0 50 FKAA Cc1cc(C)c(OCCOc2cccc3cccnc23)c(Br)c1 2983726 SBENJXHJJPVJBL-UHFFFAOYSA-N 372.262 5.072 0 50 FKAA c1cncc(CN(Cc2ccsc2)Cc2ccc([C@H]3CCCCO3)o2)c1 55153841 MSWLTVBUGWJMOY-HXUWFJFHSA-N 368.502 5.180 0 50 FKAA Cc1cc(CN(C)Cc2cc3cccc(C)c3nc2-c2cccs2)no1 72423555 IWNRWRCXFDIVGO-UHFFFAOYSA-N 363.486 5.200 0 50 FKAA CN(Cc1ccccc1)[C@]1(CC(=O)OC(C)(C)C)C(C)(C)[C@H]2CC[C@@]1(C)C2 261361520 HMKFVDJIGANPCR-WDJPJFJCSA-N 371.565 5.435 0 50 FKAA CCCCCC(=O)N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl 3153141 BQMKWBXZPDFSOO-CYBMUJFWSA-N 372.123 5.145 0 50 FKAA COc1ccc([C@@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 4724775 XJTPZZWMGHRWQH-FQEVSTJZSA-N 366.848 5.260 0 50 FKAA O=C(Cn1nc(-c2ccc(Cl)cc2Cl)oc1=S)c1ccccc1 4806579 RSDJIVCBQNYPMR-UHFFFAOYSA-N 365.241 5.062 0 50 FKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 5023673 YDCPBLOSJFNAEV-SECBINFHSA-N 360.693 5.766 0 50 FKAA Cc1ccc(C(C)(C)C[C@@H](C)N[C@@H](Cc2ccccc2)c2ccccc2)o1 16677705 FXSBMZUIPOWPDA-XXBNENTESA-N 361.529 6.218 0 50 FKAA C[P@](=O)(Nc1cccc(Br)c1)Oc1ccc(Cl)cc1 100315612 GJFCGDDGAZIHLV-LJQANCHMSA-N 360.575 5.416 0 50 FKAA FC1(F)N=C(c2ccc(Cl)cc2)S[C@@]1(F)c1ccc(Cl)cc1 200096613 JGDLZQYCDVDWNE-AWEZNQCLSA-N 362.203 5.902 0 50 FKAA C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2[C@@]1(C)CCC(=O)O1 253498554 KYUZKRJIOGSDGT-ONXQLLFUSA-N 372.549 5.022 0 50 FKAA Clc1nc(-c2ccccc2)nc(-c2cccc3oc4ccccc4c23)n1 584615285 PJJAZVKQILCJTF-UHFFFAOYSA-N 357.800 5.758 0 50 FKAA O=C(COc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 670592 ZGRFDUZYBXACPH-UHFFFAOYSA-N 353.805 5.150 0 50 FKAA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc(C)c1C 824060 STDLKWPRTZXBPP-UHFFFAOYSA-N 372.273 5.101 0 50 FKAA COc1cccc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)c1 1059380 IFSBQIRYXSBRMW-OOEPIQFGSA-N 369.464 5.321 0 50 FKAA O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc2ccccc12 1175521 XASMGGMGGRPMEU-UHFFFAOYSA-N 356.450 5.120 0 50 FKAA O=C(Nc1nnc(C2CCCCC2)s1)Nc1cccc2ccccc12 2772363 NARGQDWNXYTCKK-UHFFFAOYSA-N 352.463 5.383 0 50 FKAA CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(Cl)cc1 2979247 IFVJQUACGMHSCX-UHFFFAOYSA-N 374.868 5.807 0 50 FKAA CN(C)CCNc1cc(-c2cc(Cl)ccc2Cl)nc2ccccc12 632869 LVIDLUGZHKSPFV-UHFFFAOYSA-N 360.288 5.182 0 50 FKAA O=C(COc1cccc(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 943918 RWIUMIFRUOUBCL-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)CCc1ccccc1 1150934 WCMNDPIYUHSLAP-CQSZACIVSA-N 368.864 5.055 0 50 FKAA Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1C 1166520 OZYRVXQWLJHVDB-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc(Cl)cc2)cc1 1168211 ILNLLYVTMWVAMR-UHFFFAOYSA-N 361.832 5.215 0 50 FKAA Cc1cc(Cl)c(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 1752674 ISTLIFODYVTOKE-UHFFFAOYSA-N 363.166 5.965 0 50 FKAA Cc1cccc(OCCCC(=O)Nc2nc(-c3ccccc3)cs2)c1C 1786406 CGUUHTWCKAPVNO-UHFFFAOYSA-N 366.486 5.225 0 50 FKAA CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1 2149829 HQVZOORKDNCGCK-UHFFFAOYSA-N 365.344 7.004 0 50 FKAA aggregator,biogenic,world Cc1c(C)c2ccc(OCc3ccc(Cl)c(Cl)c3)c(C)c2oc1=O 2998711 KITAICRYHMRXQJ-UHFFFAOYSA-N 363.240 5.604 0 50 FKAA C1=C(c2ccccc2)Oc2ccccc2[C@]1(Cc1ccccc1)c1ccccc1 3107490 JNLJIQWEJLVXSZ-NDEPHWFRSA-N 374.483 6.649 0 50 FKAA O[C@](c1ccccc1)(c1cccs1)[C@H](c1ccccc1)c1ccccn1 71767144 WBLWRRKGSJSNGM-DHIUTWEWSA-N 357.478 5.211 0 50 FKAA CO[C@@H]1CCC[C@@H](Cc2nc(-c3ccc(C)cc3)nn2CC(C)(C)C)C1 1875349069 LPTZUXCMKUKEBJ-IEBWSBKVSA-N 355.526 5.047 0 50 FKAA COc1ccc(Cl)cc1NC(=O)NC(c1ccccc1)c1ccccc1 641837 KUTGGTYUKKABGE-UHFFFAOYSA-N 366.848 5.260 0 50 FKAA Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2Cl)[C@@H]3CCC1 653247 GZPQXFOTRMOWQP-HXUWFJFHSA-N 364.876 5.137 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(F)c1 855957 USNGTWIJXFTREV-HRAATJIYSA-N 360.432 5.418 0 50 FKAA Cc1cc(OCc2cccc(C(F)(F)F)c2)c2c3c(c(=O)oc2c1)CCC3 949212 WGISWKFCOVADPQ-UHFFFAOYSA-N 374.358 5.188 0 50 FKAA O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1 1013593 UJZFOCKIWYLMSY-UHFFFAOYSA-N 363.388 5.220 0 50 FKAA CCOc1cccc(C(=O)N[C@H](c2ccccc2)c2cc(C)ccc2C)c1 1062210 JKYQJGMEONBEPX-HSZRJFAPSA-N 359.469 5.222 0 50 FKAA Cc1c(C)c2ccc(OCc3ccccc3Br)c(C)c2oc1=O 1153861 AJURCPKIPUNKKK-UHFFFAOYSA-N 373.246 5.060 0 50 FKAA CCOc1cc(CNc2cc(-c3ccccc3)ccc2OC)ccc1OC 1229328 OTRBWAIPIVZXOP-UHFFFAOYSA-N 363.457 5.382 0 50 FKAA Cc1cccc(OC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)c1C 2079460 XHMNKJCXYLMOOC-UHFFFAOYSA-N 367.448 6.046 0 50 FKAA O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc(-c2ccccc2)cs1 2361987 RGEGTDYVVYUBCO-UHFFFAOYSA-N 374.248 5.890 0 50 FKAA c1ccc(-c2oc3ncnc(NC4CCCC4)c3c2-c2ccccc2)cc1 2701559 LLFTYUDGQYCOHZ-UHFFFAOYSA-N 355.441 5.911 0 50 FKAA CSc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 2856965 MIZYOGMUZWZFRG-UHFFFAOYSA-N 372.342 5.587 0 50 FKAA Cc1nn(-c2ccccc2C(C)C)c(-c2ccc(Cl)cc2)c1C(=O)O 4237733 SBKJMVCLJBALTK-UHFFFAOYSA-N 354.837 5.323 0 50 FKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1cccs1 4844518 BYWGDRGGEFFLMQ-JXFKEZNVSA-N 362.498 5.269 0 50 FKAA COc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccsc2)oc1C 15063962 XYYNONQYCCCRIQ-GOSISDBHSA-N 354.475 5.057 0 50 FKAA Cc1cc(N2CCC(Cc3ccccc3)CC2)nc2cc(Cl)ccc12 23634551 DKHWMRMGGSYMAH-UHFFFAOYSA-N 350.893 5.656 0 50 FKAA CC[C@@H]1CCC[C@H]1N[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 170616759 NAFUUTRIHBLRER-FIXISWKDSA-N 354.281 5.273 0 50 FKAA Cc1cc(OC(=O)Nc2ccc(C(C)C)cc2)c(C)cc1Br 640870 CXKBLJZAZBCUBR-UHFFFAOYSA-N 362.267 5.800 0 50 FKAA CCCc1cc2c(cc1NC(=O)C(c1ccccc1)c1ccccc1)OCO2 643253 CKYJRECTBMZKDZ-UHFFFAOYSA-N 373.452 5.138 0 50 FKAA CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCCCC2)c(C(C)C)c1 752287 OHYMBVDJIFZIKF-UHFFFAOYSA-N 365.583 5.622 0 50 FKAA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc2ccccc2o1 1101672 WXMXGHKXDXCIEZ-UHFFFAOYSA-N 370.433 5.962 0 50 FKAA O=C(Nc1ccccc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1 1139016 TYBKOQZRTXSMLG-UHFFFAOYSA-N 350.176 5.645 0 50 FKAA CCOc1cc(C=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1174702 AWMUXRCUFBYUPZ-UHFFFAOYSA-N 359.636 5.437 0 50 FKAA O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc2ccccc2o1 2811368 ZEGXGSZOIYQPNC-UHFFFAOYSA-N 372.355 5.632 0 50 FKAA CC(C)CC(=O)N[C@@H](Oc1cccc2ccccc12)C(Cl)(Cl)Cl 3123313 ZEUNYDQMQYZSAL-INIZCTEOSA-N 374.695 5.077 0 50 FKAA Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4819826 XYXJKCCYXGAATF-RNXZQOMOSA-N 363.501 5.590 0 50 FKAA CC(=O)Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1Br 4998956 LXIDQJINZKPNLT-RMKNXTFCSA-N 368.230 5.093 0 50 FKAA C[C@]12CC[C@@H](OCc3ccccc3)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 5276531 XVAQUNQDQASSEH-JQDKGXJBSA-N 366.589 7.005 0 50 FKAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 6680798 KIXCOVXKIPOHMD-FYYLOGMGSA-N 362.473 5.145 0 50 FKAA C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccccc1 118916845 SINAMTXBCYKFDL-WBJZGETLSA-N 350.546 6.084 0 50 FKAA in-vitro FC1(F)N=C(c2ccc(Cl)cc2)S[C@]1(F)c1ccc(Cl)cc1 200096651 JGDLZQYCDVDWNE-CQSZACIVSA-N 362.203 5.902 0 50 FKAA CC[C@H]1CCCCN1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 229656882 MARXIEPXUFOSFT-ICSRJNTNSA-N 361.482 5.260 0 50 FKAA O=S(=O)(Nc1ccc(C2CC2)cc1)c1ccc(C2CCCCC2)cc1 2325842821 JLYHIDJRAHHEMR-UHFFFAOYSA-N 355.503 5.413 0 50 FKAA COc1ccc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)cc1 825788 GJMKSXYPLJJRQQ-OOEPIQFGSA-N 369.464 5.321 0 50 FKAA COc1ccc(CNc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1 1085813 HUWNOIRZPFPPJT-UHFFFAOYSA-N 357.457 5.014 0 50 FKAA Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 1121139 MVYAVVUPNIZTLV-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 1144049 CEEXAZXQNCMCDX-MRVPVSSYSA-N 362.615 5.192 0 50 FKAA Cc1ccc(OP(=O)(Nc2nccs2)Oc2ccc(C)cc2)cc1 2308916 DCGDARUHRXDPIG-UHFFFAOYSA-N 360.375 5.438 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccccc1Cl 2983186 ZCVVJQWMINLBFG-UHFFFAOYSA-N 372.679 5.122 0 50 FKAA COc1ccc([C@@H](CCNC[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 4029640 FWQXNBIMBQJMNO-CVDCTZTESA-N 367.533 5.012 0 50 FKAA biogenic CC[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 13328952 HEWCXGQDSPQWMY-CYBMUJFWSA-N 357.668 5.920 0 50 FKAA Cc1nn(-c2cccc(Cl)c2)c(Sc2ccc(Cl)cc2)c1C=O 16249323 LJQXYJUPGRUZGP-UHFFFAOYSA-N 363.269 5.451 0 50 FKAA COc1ccccc1-c1cc(C(F)F)c2cnn(-c3ccc(F)cc3)c2n1 20602774 QRZWBSGFTKKRHJ-UHFFFAOYSA-N 369.346 5.173 0 50 FKAA CCCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C)n1C(F)F 952965270 SZMCOPCQKDSBRF-UHFFFAOYSA-N 354.828 5.288 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 582127 ZDPIZPXVHVYTOK-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA in-vitro CC(C)CN(CC(C)C)C[C@H](C)C(O)(c1ccccc1)c1ccccc1 5453900 OYCAUCUATIWFIF-NRFANRHFSA-N 353.550 5.173 0 50 FKAA CCC[C@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5672014 SGRLWFXQKJWQHG-PKOBYXMFSA-N 356.853 5.018 0 50 FKAA COCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Cl)cc1 67631151 ODJXFYNBEBMOBU-UHFFFAOYSA-N 363.848 5.172 0 50 FKAA CCc1nc(C)c(-c2c(-c3ccccc3)ncn2CCCc2ccco2)[nH]1 71776787 VDOCTGPINYHARY-UHFFFAOYSA-N 360.461 5.037 0 50 FKAA CN1CCCC[C@H](n2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)C1 96032824 VNSNHIFBQMRMRE-INIZCTEOSA-N 352.522 5.163 0 50 FKAA biogenic,in-vitro CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253500256 NTISSUBFZAIVDS-SZMFPKONSA-N 370.577 5.686 0 50 FKAA biogenic Clc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c(Cl)c1 584904374 ONAOYDSXVRGDBF-WOJBJXKFSA-N 367.364 5.222 0 50 FKAA CCOC(=O)c1cc(-c2cc(C)ccc2C)n(CCC2CCCCC2)n1 1875342808 IEOBFLKTGXEHFD-UHFFFAOYSA-N 354.494 5.314 0 50 FKAA CC(=O)N1c2ccccc2[C@@](C)(c2ccc(Br)cc2)CC1(C)C 753154 JGFXGBLLBJVLGO-HXUWFJFHSA-N 372.306 5.290 0 50 FKAA O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccccc1 940542 YHYDPVRIBHWBIM-UHFFFAOYSA-N 363.269 5.293 0 50 FKAA O=C(Nc1cccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1068889 CIRUYJVRCXVGET-UHFFFAOYSA-N 354.862 5.280 0 50 FKAA O=C(CSc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1 1095931 LINKACFZIKXTRX-UHFFFAOYSA-N 368.405 5.046 0 50 FKAA CCc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)nc2c1 1164896 BNHBWGCEDGWYNI-UHFFFAOYSA-N 370.452 5.547 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(F)cc1 1184008 ARXKHJDRTMXHAR-UHFFFAOYSA-N 354.450 5.462 0 50 FKAA Cc1ccc(-c2csc3ncnc(Nc4ccc(Cl)cc4)c23)cc1 1778417 BVAKURDZUDUKOL-UHFFFAOYSA-N 351.862 6.064 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 2969929 IUFNIFQCQQJIQH-UHFFFAOYSA-N 366.230 5.019 0 50 FKAA COc1cc(C)ccc1OCCCCOc1cc(Cl)ccc1Cl 2985539 MYSVWZAMSYWNID-UHFFFAOYSA-N 355.261 5.548 0 50 FKAA O=c1c2ccccc2nc(/C=C\c2ccccc2Cl)n1Cc1ccccc1 15837707 DQZRVUIYEHKYDN-PFONDFGASA-N 372.855 5.269 0 50 FKAA CC1=C2C=CC(c3ccccc3)=[N+]2[B-](F)(F)n2c1ccc2-c1ccccc1 198107417 VEPDCPCDORASHY-UHFFFAOYSA-N 358.200 5.194 0 50 FKAA CCC(CC)c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 1111599 QNJZUCYGMKQZLD-UHFFFAOYSA-N 365.911 5.562 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 1150620 ZCBMGPPQSGIYLQ-CJLVFECKSA-N 357.453 5.491 0 50 FKAA CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 1170298 OSIOICNAPWSVOF-UHFFFAOYSA-N 374.868 5.807 0 50 FKAA c1ccc(-c2c3ccccnc-3c(-c3ccccc3)c2-c2ccccc2)cc1 2518987 BSGLIRVBNJFHLY-UHFFFAOYSA-N 357.456 7.187 0 50 FKAA COc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 5527449 SYAZWJZSFDTLAS-JOCHJYFZSA-N 362.860 5.704 0 50 FKAA CCc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 8086588 ZRYQUNZMWVGOGW-UHFFFAOYSA-N 362.477 5.063 0 50 FKAA Cc1sc2nc(-c3cccc(Cl)c3)nc(O)c2c1-c1ccc(F)cc1 1875303897 RHLHOAZKYUEANZ-UHFFFAOYSA-N 370.836 5.832 0 50 FKAA N[C@H](c1ccc(Cl)cc1Cl)[C@H](N)c1ccc(Cl)cc1Cl 732112 UXVDOQZLEYUGHO-ZIAGYGMSSA-N 350.076 5.000 0 50 FKAA in-vitro Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(Cl)c(Cl)c3)sc2n1 888462 NAWGYCAEVRYSQS-UHFFFAOYSA-N 366.273 5.054 0 50 FKAA Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 1124943 LGKPRPUSMGTPQE-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA CCOc1ccc2nc(SCc3cccc4ccccc34)nc(C)c2c1 1182542 JOJPUFIIURBKFA-UHFFFAOYSA-N 360.482 5.782 0 50 FKAA O=C(OCc1cc(-c2ccc(Cl)c(Cl)c2)on1)c1ccc(F)cc1 1394141 GCKYBICAJJIVRX-UHFFFAOYSA-N 366.175 5.145 0 50 FKAA O=C(c1ccccc1)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 2173435 QMZVTWNMOMODGC-AREMUKBSSA-N 362.472 6.485 0 50 FKAA Cc1cccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)c1C 2290568 HJVKBYJNWCRIRH-UHFFFAOYSA-N 352.528 6.213 0 50 FKAA CCC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1ccc(F)cc1 2853871 OOWHQTWIKLJHQB-NRFANRHFSA-N 365.448 5.380 0 50 FKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Cl)c1Cl 2999889 ZJFCBRQVVSQPPI-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccccc1F 4223005 QQTGGZUNVZPOIW-KRWDZBQOSA-N 365.448 5.264 0 50 FKAA Cc1ccc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@H]32)cc1 4811286 WJRAWBOCVQRUDR-MJGOQNOKSA-N 365.523 5.089 0 50 FKAA Cc1c([C@@H](C)NCc2ccccc2F)cnn1-c1cccc2ccccc12 12198315 DUWQNNQXGORUDA-MRXNPFEDSA-N 359.448 5.324 0 50 FKAA Fc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 45068183 LYSDTLBOVHGZCE-GOSISDBHSA-N 356.853 5.896 0 50 FKAA O=C(O)C/C(=C\c1csc2ccccc12)c1nc2ccccc2s1 222048087 LWCXDFGIQBUBJN-FMIVXFBMSA-N 351.452 5.526 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC=CC[C@]4(C)[C@@H]3CC[C@@]12C 257348076 BDJOURVDARTIRJ-XUACHYEOSA-N 368.649 8.194 0 50 FKAA Cc1cc(C(=O)N2CCCC2)c2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2 1848442459 RXVCMSKVJHACSQ-DEOSSOPVSA-N 362.517 5.131 0 50 FKAA COc1ccccc1NC(=O)Oc1c(C)cc(Cl)cc1Br 640874 TXJUJUFRUXTNOT-UHFFFAOYSA-N 370.630 5.030 0 50 FKAA Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 1577195 BOSMZFBHAYFUBJ-UHFFFAOYSA-N 368.369 6.257 0 50 FKAA biogenic Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 2846537 MRCHKCNQROGJIT-UHFFFAOYSA-N 368.889 6.250 0 50 FKAA O=C(Cc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1 2873242 HHTRYBGRJCWQTR-UHFFFAOYSA-N 353.874 5.672 0 50 FKAA CC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 4949914 FTBRJMRUCYRQNP-UHFFFAOYSA-N 372.449 5.418 0 50 FKAA CCn1c2ccccc2c2cc(CN3CCCC[C@H]3c3cccnc3)ccc21 4982699 ZIXKZAMEUTXGFP-QHCPKHFHSA-N 369.512 5.937 0 50 FKAA COc1cc(CN[C@H](C)c2ccccc2)c(Cl)cc1OC1CCCC1 5013914 NYRCOYJBNCJKQQ-OAHLLOKOSA-N 359.897 5.521 0 50 FKAA Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CCCCCC3 17073708 KPXPUHKLCKQDJZ-UHFFFAOYSA-N 356.516 5.077 0 50 FKAA Clc1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c(Cl)c1 584904372 ONAOYDSXVRGDBF-PMACEKPBSA-N 367.364 5.222 0 50 FKAA Cc1ccc2ccccc2c1COC(=O)Cc1csc(-c2ccccc2)n1 2325852907 XYARIGCXBFBCDQ-UHFFFAOYSA-N 373.477 5.558 0 50 FKAA Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(Br)cc1 657383 PFODYJQYAIWCPD-FMIVXFBMSA-N 358.279 5.533 0 50 FKAA c1ccc([C@@H](CCC2CC2)Sc2nnc3c(n2)[nH]c2ccccc23)cc1 708466 IWIPLOXCLPSDNJ-GOSISDBHSA-N 360.486 5.530 0 50 FKAA O=C(Cc1cccc2ccccc12)Nc1ccc(Cc2ccncc2)cc1 783854 XIHFZMRGZMKAET-UHFFFAOYSA-N 352.437 5.007 0 50 FKAA O=C(CCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 2133457 ZSDXJKNSKGXEEP-UHFFFAOYSA-N 365.260 5.131 0 50 FKAA O=C(COc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 2774433 IQWXZJVEYVFEQL-UHFFFAOYSA-N 353.805 5.150 0 50 FKAA CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2s1 2836750 CYUAITQYEVIIQQ-UHFFFAOYSA-N 356.516 5.152 0 50 FKAA Clc1c(Cl)c(Br)c(Cl)c(Br)c1Cl 3123639 QITMUWMNQDAYON-UHFFFAOYSA-N 373.686 5.825 0 50 FKAA CC(C)c1ccc(N[C@H](C(=O)Nc2nccs2)c2ccccc2)cc1 4054157 BFYPRJRZFCSPLA-SFHVURJKSA-N 351.475 5.058 0 50 FKAA Fc1ccccc1N1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 4980241 GYACTHAARLECAZ-UHFFFAOYSA-N 370.855 5.061 0 50 FKAA CCn1nc(C)c(CN2CCc3c([nH]c4ccccc34)[C@H]2C(C)(C)C)c1C 11842665 COIXADGTSRVNFP-QFIPXVFZSA-N 364.537 5.147 0 50 FKAA FC(F)(F)c1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1 19536234 OXVPKNGYDKFBFQ-UHFFFAOYSA-N 370.418 5.181 0 50 FKAA Cc1ccc([C@H](C)n2cnc(-c3ccccc3)c2-c2cccc(O)c2)nc1 65376551 WDJHKJHQYRULQY-KRWDZBQOSA-N 355.441 5.235 0 50 FKAA CCOc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccccn2)cc1 65459152 LIIQNSFAHJXSLZ-UHFFFAOYSA-N 355.441 5.059 0 50 FKAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CSc2ccc(Cl)cc2)cc1 101670567 HQDJBWTZBXGKSY-RIFZZMRRSA-N 371.933 5.551 0 50 FKAA COc1ccc(/N=c2/sc(C)c(-c3ccccc3)n2-c2ccccc2)cc1 102264943 HASIEAREGUIUMO-WCWDXBQESA-N 372.493 5.755 0 50 FKAA CC(C)(C(=O)N1CCCc2sccc2C1)c1ccc(Cl)c(Cl)c1 2325699980 OTKPJXJESDGXBZ-UHFFFAOYSA-N 368.329 5.308 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1Cl 632803 IASGOSGEJQXMRV-UHFFFAOYSA-N 358.224 6.038 0 50 FKAA CC(C)(C)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 643659 CTPWUUVCCHWRTG-UHFFFAOYSA-N 373.496 5.269 0 50 FKAA O=C(Nc1ccc(F)c(Cl)c1)c1cccc(OCc2ccccc2)c1 782902 UTSGWSCIYDQNBU-UHFFFAOYSA-N 355.796 5.310 0 50 FKAA CCOc1ccc(CNc2ccc3oc(-c4ccccc4C)nc3c2)cc1 2138730 YCMNQSPYLFZTHI-UHFFFAOYSA-N 358.441 5.814 0 50 FKAA C[C@@H](NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 2849574 SNSVKDUMHCQDNM-GFCCVEGCSA-N 360.240 5.744 0 50 FKAA Cc1ccccc1NC(=O)/C=C/c1sc2ccccc2c1Br 4542801 VOUBZOCVJVMNBR-ZHACJKMWSA-N 372.287 5.624 0 50 FKAA Fc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3cccs3)C2)cc1 5073930 RZCSITDHGBXRQD-GOSISDBHSA-N 356.853 5.896 0 50 FKAA c1ccc(C2=Nc3ccccc3[C@@H](c3ccccc3)N2c2ccccc2)cc1 5331958 MIFXYDFGCPXPRL-RUZDIDTESA-N 360.460 6.375 0 50 FKAA CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(F)cc1 6961567 BLNVKMALXDBDRC-UHFFFAOYSA-N 365.836 5.189 0 50 FKAA O=C(C1CCCCC1)N(Cc1ccc(OCc2ccsc2)cc1)C1CC1 12041933 SRKBETJCUMTZIJ-UHFFFAOYSA-N 369.530 5.398 0 50 FKAA CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(CC)s3)nc21 13961153 POBVWQXVMBQFFV-UHFFFAOYSA-N 367.440 5.850 0 50 FKAA Fc1cccc(Cl)c1[C@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN21 25781675 HCXWBAZKODSCAK-OXQOHEQNSA-N 368.795 5.314 0 50 FKAA CCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21 43013095 LACIUQLUNACUKC-UHFFFAOYSA-N 369.508 6.778 0 50 FKAA in-vitro Cc1ccc(-n2c(C)cn(Cc3ccc(C4CCCCC4)cc3)c2=O)cc1 2325863780 WJCYDSGTJSDBJB-UHFFFAOYSA-N 360.501 5.352 0 50 FKAA COc1ccc(-c2noc(CC(c3ccccc3)c3ccccc3)n2)cc1 639361 ZGEPDKNZHDFMTH-UHFFFAOYSA-N 356.425 5.120 0 50 FKAA O=S1(=O)Cc2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1 1705817 RSKUMWZICKGYLR-UHFFFAOYSA-N 356.446 5.461 0 50 FKAA c1ccc(CCN[C@H]2CCCc3c2[nH]c2ccc(-c4ccccc4)cc32)cc1 1836358 XNOLHKBBTGIIOM-VWLOTQADSA-N 366.508 6.045 0 50 FKAA O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 2793757 LRMBNHPVNYDVRS-QWHCGFSZSA-N 372.198 5.337 0 50 FKAA O=c1cc(C(F)(F)F)c2ccc(OCc3cccc(Cl)c3)cc2o1 2811831 UXHZZPYWXOPYIH-UHFFFAOYSA-N 354.711 5.044 0 50 FKAA COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 3662574 HVYDIHARYMGWLE-UHFFFAOYSA-N 363.438 5.569 0 50 FKAA COc1cccc(Oc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 4284147 KLPMBOLBXBIIKB-UHFFFAOYSA-N 368.845 5.813 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2Cl)o1 4542024 PWWFYNIALJKPNA-UHFFFAOYSA-N 365.738 5.871 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 4542364 KFZXMDNWUOXYCL-UHFFFAOYSA-N 352.821 6.085 0 50 FKAA CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 17315930 RXMOJBPBYPRQPX-ZJSXRUAMSA-N 370.452 5.328 0 50 FKAA CCOc1cc(CN[C@H](Cc2ccccc2)c2ccccc2)ccc1OC 19721043 NTZVVYNGGFOLFS-JOCHJYFZSA-N 361.485 5.168 0 50 FKAA O=C(Nc1c[nH]c2ccccc12)c1ccc(-c2nc3ccccc3s2)o1 1875335719 DMRYXVSIZYLSAJ-UHFFFAOYSA-N 359.410 5.290 0 50 FKAA COc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 1077068 VQKSSRGYLSWBKD-UHFFFAOYSA-N 367.518 5.081 0 50 FKAA Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br 1158901 GRHPCIMYHLSKEQ-RUDMXATFSA-N 350.643 5.063 0 50 FKAA O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1-c1ccccc1 1426199 PPCTWCGZIOYGGM-UHFFFAOYSA-N 359.322 5.764 0 50 FKAA O=C(O)c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2382446 WJKKJJXROCHBMA-UHFFFAOYSA-N 350.214 5.215 0 50 FKAA O[C@@H](c1cccc2ccccc12)c1nc2ccccc2n1Cc1ccccc1 3877048 DEDGWZIMHQJXKD-DEOSSOPVSA-N 364.448 5.320 0 50 FKAA COc1cc2ccccc2cc1C(=O)NCCC12CC3CC(CC(C3)C1)C2 4451315 DFMJSTGVDFDLMG-UHFFFAOYSA-N 363.501 5.185 0 50 FKAA CC(C)=CCC/C(C)=C/C[C@@]1(S(=O)(=O)c2ccccc2)C=CC(=O)CC1 43762296 UPXQRIPYCRVJAX-GSERBOKHSA-N 372.530 5.201 0 50 FKAA Clc1ccc([C@@H]2CN(Cc3cccc4ncccc34)CCO2)cc1Cl 71745631 UOXMZYHARNBVFW-FQEVSTJZSA-N 373.283 5.115 0 50 FKAA FC1(F)c2cc(Br)ccc2-c2ccc(Br)cc21 113310073 ITRVPZLDBPKHTI-UHFFFAOYSA-N 359.995 5.332 0 50 FKAA in-vitro O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 245235279 IUOVUHKJLLXHLL-IMTPOMJSSA-N 364.316 6.261 0 50 FKAA Cc1ccccc1[C@@H](CC(C)C)NC[C@@H](CO)Cc1ccccc1Cl 2325842255 SFQXKESOTINGDY-PGRDOPGGSA-N 359.941 5.176 0 50 FKAA O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1C(F)(F)F 669099 CADBLYWEUIBDHQ-JXMROGBWSA-N 370.168 5.120 0 50 FKAA Cc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccc(C)c(C)c2O)cc1 986064 UULYOIMVRHDJFW-QFIPXVFZSA-N 359.469 5.478 0 50 FKAA CCc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccncc3)c2C)cc1 1073823 WVIIVHLTUJBZEF-UHFFFAOYSA-N 367.452 5.420 0 50 FKAA O=C(CCc1ccccc1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 1111559 JNHBAKRRZRXSPC-UHFFFAOYSA-N 369.420 5.031 0 50 FKAA Cc1ccc2nc(NC(=O)CCCOc3ccc(Cl)cc3)sc2c1 1910477 HTRZPBXAGODQET-UHFFFAOYSA-N 360.866 5.056 0 50 FKAA CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 2105296 MXNGYQJJYRVGGJ-QFIPXVFZSA-N 366.464 5.783 0 50 FKAA in-man c1ccc(CSCc2ccc(CSCc3ccccc3)cc2)cc1 2173143 OXZMDYOMMDVKKA-UHFFFAOYSA-N 350.552 6.553 0 50 FKAA C(=C/c1ccccc1)\CSc1nnc(-c2ccccn2)n1-c1ccccc1 2435831 RIISOQWPIKXVET-FMIVXFBMSA-N 370.481 5.135 0 50 FKAA CCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 2860094 NJXKLRQSJHYQNQ-UHFFFAOYSA-N 360.409 5.140 0 50 FKAA Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccccc3)ccc12 3228995 OEQBKXULJCYVCD-UHFFFAOYSA-N 356.421 5.271 0 50 FKAA CCCCc1ccc(-n2nc(C)c(C(=O)O)c2-c2ccc(Cl)cc2)cc1 4237732 VBVGABOVLPXZQR-UHFFFAOYSA-N 368.864 5.542 0 50 FKAA COc1cccc2c1O[C@@H](c1ccc(C)cc1)N1N=C(c3ccccc3)C[C@@H]21 4281951 QYKNDUBYLRKELT-URXFXBBRSA-N 370.452 5.246 0 50 FKAA Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 4821178 KXCHMKZKUYGSJT-SNVBAGLBSA-N 358.652 5.361 0 50 FKAA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)c1 15004389 DAEXKOKLLGHFGG-QGZVFWFLSA-N 367.443 5.043 0 50 FKAA O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)Nc1nccs1 18129163 RMOJNJBMUDGINL-XBLGPDGASA-N 352.503 5.010 0 50 FKAA CCC[C@H](C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 58638718 XRPUJSGGRFQZPJ-INIZCTEOSA-N 353.849 5.832 0 50 FKAA in-vitro CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)CC(=O)O)cc2F)cc1 170629297 LLRQHMGWLRIPAN-CQSZACIVSA-N 361.482 5.178 0 50 FKAA CC(C)Sc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccccn1 299778409 OXERXEBZVUQYHT-GOSISDBHSA-N 355.507 5.341 0 50 FKAA C[C@@H](C(=O)OCc1csc(-c2ccccc2)n1)c1ccc2ccccc2c1 2325852785 SSTKDUYRWPLGAS-MRXNPFEDSA-N 373.477 5.810 0 50 FKAA O=C(OCc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1 3069154 RHRILAPYJIHJHJ-UHFFFAOYSA-N 350.028 5.657 0 50 FKAA O=C(N1CC[C@H](Nc2ccccc2)C1)N(c1ccccc1)c1ccccc1 3622983 XMHDNXPEJHLAHA-FQEVSTJZSA-N 357.457 5.131 0 50 FKAA COc1cc(C)ccc1OCCOc1c(Cl)cc(Cl)cc1Cl 4702131 QCAAWSKYSIJUQB-UHFFFAOYSA-N 361.652 5.422 0 50 FKAA Cc1ccc(/C=C2\CCCC3=C2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 8756758 IJILAXXAWSYFLJ-CURYZJDOSA-N 360.526 5.344 0 50 FKAA aggregator O=C(Nc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 9231005 JXAMRWPFVVGLKQ-UHFFFAOYSA-N 371.868 5.047 0 50 FKAA C[C@H]1CCCCN1c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9698139 SDNPYSMPXDAXEH-AWEZNQCLSA-N 352.865 5.227 0 50 FKAA Cc1cc(C)c(Cn2c([C@H](O)c3ccccc3)nc3ccccc32)c(C)c1 13030686 YONKCWKLFWGBNN-HSZRJFAPSA-N 356.469 5.092 0 50 FKAA CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 245189306 PRYCYWMMSZSXBK-QAQDUYKDSA-N 360.463 7.625 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253537629 XIIAYQZJNBULGD-KPNMLCRFSA-N 372.681 8.498 0 50 FKAA in-vitro Fc1ccc([C@@H]2CCCCN2Cc2cc(CN3CCCC3)cs2)cc1 670468970 YNKIQCUKOBVQTA-NRFANRHFSA-N 358.526 5.210 0 50 FKAA C[C@H](c1ccc(C(F)(F)F)c(Cl)c1)N(C)CC12CCOC(C)(C1)C2 2325828132 ZSRCMKPPWPXUCC-AXOLYNHLSA-N 361.835 5.311 0 50 FKAA O=C(Nc1ccncc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 656162 PENMUJVTXXRQOT-UHFFFAOYSA-N 365.845 5.264 0 50 FKAA CCOc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(F)cc1)N2 678110 FBELDLAJAXNQFK-WOJBJXKFSA-N 357.425 5.022 0 50 FKAA O=C(c1ccccc1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 1132764 DBTOWSPTQLKYOH-UHFFFAOYSA-N 355.481 5.449 0 50 FKAA Cc1cc(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12 1156093 YRQXEDCRZKZOHR-UHFFFAOYSA-N 355.187 5.277 0 50 FKAA biogenic O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1CCc1ccccc1 1426300 JTVOZKQFNISVHD-UHFFFAOYSA-N 359.513 5.026 0 50 FKAA C1CCC(NC(C2CCCCC2)(C2CCCCC2)C2CCCCC2)CC1 4765021 LHIBXOOQMBBEJB-UHFFFAOYSA-N 359.642 7.388 0 50 FKAA O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@H]1c1cccs1 30036874 MNTMEDDXOMUVSZ-HNNXBMFYSA-N 358.850 5.034 0 50 FKAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 254824798 RVGVSOKFBAOUCH-NJEDXZMYSA-N 374.565 5.715 0 50 FKAA Cc1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)c(C(C)(C)C)c1 942040 AMLWABLNFSZXPS-UHFFFAOYSA-N 353.506 5.742 0 50 FKAA COc1ccc(-c2cc(=O)oc3cc(OCC=C(C)C)c(Cl)cc23)cc1 1161251 BGPWSRREQDGAPL-UHFFFAOYSA-N 370.832 5.467 0 50 FKAA biogenic O=C1S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 1205953 DFNCJBWOFMPZAQ-LCYFTJDESA-N 350.226 5.234 0 50 FKAA CCCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@@H](C)C2 2085417 LSMHJHUORDDCRA-CQSZACIVSA-N 371.502 5.000 0 50 FKAA CCCCc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 2835692 FMPOEZKMRDAJBQ-UHFFFAOYSA-N 351.519 5.040 0 50 FKAA CCCCOc1ccc(-c2nnc(S)n2[C@@H](C)c2ccccc2)cc1 17073227 YIDYUVVORIIHJO-HNNXBMFYSA-N 353.491 5.022 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)o1 656497 KLAWOHBDJCJEEI-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1ccc(SCCC(=O)Nc2ccc(Br)c(C)c2)cc1 1131130 XFODOFXJYKIBKE-UHFFFAOYSA-N 364.308 5.187 0 50 FKAA COc1cccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 1164293 ZGDPTIAZOJSADV-UHFFFAOYSA-N 355.393 5.130 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cs1)C1=C(Cl)[C@@H]2C=CC=C[C@@H]2S1 1213889 IZAQKOAALSBBIY-OCCSQVGLSA-N 372.902 5.057 0 50 FKAA CCN(CC)c1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1 2853817 VRZKSEYFADCQEZ-UHFFFAOYSA-N 368.333 5.649 0 50 FKAA C=C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253612484 SCZFJLZMTKPHEI-WEWQWRBTSA-N 354.534 5.993 0 50 FKAA CCOC(=O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 257349369 NROMSNOPHMXOQW-DRNGZOKYSA-N 362.554 5.368 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(Br)cc1 641123 JGSBQPWEPQRWJT-UHFFFAOYSA-N 361.022 5.367 0 50 FKAA CCCc1ccc(OCc2ccc(C(=O)Nc3ccccc3F)cc2)cc1 659252 HMGQQIPUYPURGJ-UHFFFAOYSA-N 363.432 5.610 0 50 FKAA C[C@]1(C(=O)Nc2ccccc2F)CC2c3ccccc3C1c1ccccc12 840316 ONPHZUNKOWLQRK-HTIOENIKSA-N 357.428 5.452 0 50 FKAA CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(CC)c1-c1ccccc1 999325 NDEJTZUEIZGVCU-UHFFFAOYSA-N 359.491 5.139 0 50 FKAA C[C@@]1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1(Cl)Cl 1051447 QSOABOIDBTWTDF-INIZCTEOSA-N 354.664 5.428 0 50 FKAA CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 1112763 UMPIPQGGPJJTKQ-CYBMUJFWSA-N 354.450 5.715 0 50 FKAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1csc2c1CCCC2 1130429 UAKNAHVCWOHUFD-UHFFFAOYSA-N 359.800 5.551 0 50 FKAA CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(Cl)cc1 1169191 OQDIHDLGJBVVHR-UHFFFAOYSA-N 362.907 5.730 0 50 FKAA CC(C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 2373298 AKMSPDIHVXRYDB-UHFFFAOYSA-N 360.482 6.645 0 50 FKAA C/C=C/c1ccc(OCCCCOc2ccccc2OC(C)C)c(OC)c1 2983704 MIPXCYYJCRZWME-BJMVGYQFSA-N 370.489 5.754 0 50 FKAA CC(C)(C)c1ccc2c(c1)sc1[nH]c(=S)n(-c3ccccc3)c(=O)c12 8306603 FVSBBMRTQHNRFA-UHFFFAOYSA-N 366.511 5.560 0 50 FKAA Cc1cc(C)c(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c(C)c1 19321324 RRBDXAGVDNKOKT-UHFFFAOYSA-N 370.540 5.628 0 50 FKAA Clc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)cc1 36352218 CEBDKUMDXCOINQ-IRLDBZIGSA-N 360.844 5.582 0 50 FKAA CCc1ccc(NC(=O)N(C2CCCCC2)[C@H](C)c2cccnc2)cc1 37868814 MZUFWAKJJAAQNX-QGZVFWFLSA-N 351.494 5.572 0 50 FKAA Cc1ccc(-c2ncc(C(=O)Nc3cnc4ccccc4c3)s2)c(C)c1 170601447 OPOKMSYKKDSPJI-UHFFFAOYSA-N 359.454 5.227 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@@H]3CC[C@]12C 257349893 SFBMPHLOQAKIBY-LWEHDTGCSA-N 370.665 8.274 0 50 FKAA O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccc(Cl)cc1 853640 XCYNGZFSMXBARY-UHFFFAOYSA-N 374.918 5.199 0 50 FKAA O=C1C[C@@H](c2cccc(Br)c2)c2c(ccc3ccccc23)N1 853906 YZMPUSABODKFJE-INIZCTEOSA-N 352.231 5.076 0 50 FKAA COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1Cl 1068948 HIDMMHHWORPCDF-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 1111664 FPAGTAVTZQWLAZ-CYBMUJFWSA-N 364.308 5.185 0 50 FKAA CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1215628 JRFSNMYSNROIIS-UHFFFAOYSA-N 372.468 5.134 0 50 FKAA Cc1cccc(C(=O)N[C@@H](Sc2ccccc2)C(Cl)(Cl)Cl)c1 1480445 ZCBNXXDTCFCSGI-HNNXBMFYSA-N 374.720 5.213 0 50 FKAA CCCCCCC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C 2779410 SIJFGEIQBSLYAE-NQIIRXRSSA-N 350.506 5.935 0 50 FKAA CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Br)cc1 4865553 WMGAVRGDWUVTTF-UHFFFAOYSA-N 369.258 5.215 0 50 FKAA O=C(O)c1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 5583847 OUNUDPZGYFVTOB-UHFFFAOYSA-N 366.225 5.159 0 50 FKAA Cc1cccc(COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1 6815785 IHBIZDSFPJRTRI-UHFFFAOYSA-N 358.393 5.053 0 50 FKAA Cc1ccc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)s1 12023091 IDIQMKZBPLTXHC-HNNXBMFYSA-N 359.520 5.204 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 43191358 NELMHAIFXJZDST-ZLBIGGGMSA-N 370.533 5.396 0 50 FKAA CS[C@@H](C)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]ccc12 67855921 ZTUUIOYKPAGOIH-INIZCTEOSA-N 361.514 5.374 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](C1CCCCC1)O2 100708654 JVFAABOFNYBFJP-PXNSSMCTSA-N 356.853 5.383 0 50 FKAA CCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 245189321 TVAPGSSMRUFIFN-XUTJKUGGSA-N 364.529 6.932 0 50 FKAA in-vitro Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)C(=O)CC1(CCCC1)O2 828414791 WYZOUNKLPFBMQD-UHFFFAOYSA-N 360.409 5.046 0 50 FKAA Fc1ccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2325824162 RLDCYHZLKVAZFP-UHFFFAOYSA-N 362.429 6.485 0 50 FKAA Cc1cccc(C)c1NC(=O)CSCc1c(Cl)cccc1Cl 653673 ZNNBOEFLBJDQRG-UHFFFAOYSA-N 354.302 5.482 0 50 FKAA O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 1011755 PWYZYZDTENZONN-ZSOIEALJSA-N 350.226 5.234 0 50 FKAA c1ccc(-c2cc(-c3nc(-c4ccccn4)no3)c3ccccc3n2)cc1 1160165 QJVLKEOJQZVOPT-UHFFFAOYSA-N 350.381 5.014 0 50 FKAA COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl 1397614 LEWDUCQFSSUPFM-GFCCVEGCSA-N 371.647 5.176 0 50 FKAA CCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2741634 YVZXNVQEHIVKSC-UHFFFAOYSA-N 368.260 5.190 0 50 FKAA CCCOc1cc2oc(C)c(Oc3ccc(F)cc3)c(=O)c2cc1CC 2995431 GQJYNDPJLOGLOT-UHFFFAOYSA-N 356.393 5.384 0 50 FKAA Brc1cc(/C=C/c2ccccc2)ccc1/C=C/c1ccccc1 71787025 BAHVVQDNBZYNGR-NOVYJZLUSA-N 361.282 6.790 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CCCC[C@]4(C)[C@@H]3CC[C@]12C 248240127 DTGDZMYNKLTSKC-LIMLEHFYSA-N 370.665 8.418 0 50 FKAA CC(C)(C)c1ccc2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2n1 1875343053 OLVQCWTUQNDHSX-UHFFFAOYSA-N 359.882 5.082 0 50 FKAA CCC[C@H](N[C@H]1CCC[C@H]1CCO)c1ccc(Oc2ccccc2)cc1 2325822271 NKZHDOLKHHWVNJ-TZYHBYERSA-N 353.506 5.461 0 50 FKAA COc1ccc(Cl)cc1Nc1ncnc2sc3c(c12)CC[C@@H](C)C3 951925 FNJINZZIKNSPCG-SNVBAGLBSA-N 359.882 5.222 0 50 FKAA O=C(COc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Cl)cc1 1119481 YEBQYRUPWQAKFJ-UHFFFAOYSA-N 374.827 5.212 0 50 FKAA Cc1cccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)c1 1217539 CJEXGPCLHFKBHL-UHFFFAOYSA-N 372.493 5.029 0 50 FKAA CCOc1ccc2ccccc2c1Cc1c(OCC)ccc2ccccc12 2170712 DKWQWJXBXUXPBJ-UHFFFAOYSA-N 356.465 6.381 0 50 FKAA CCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc12 2302898 FHMOGUHRTOVJET-UHFFFAOYSA-N 361.485 6.256 0 50 FKAA Cc1ccc(C(C)C)c(OCCNC(=O)c2ccc(Cl)c(Cl)c2)c1 2839057 LMMXDJACIMQDGP-UHFFFAOYSA-N 366.288 5.234 0 50 FKAA O=S(=O)(c1ccc(Cl)c(Cl)c1)c1ccccc1-c1ccccc1 3138416 XHAVKLAYRXBJET-UHFFFAOYSA-N 363.265 5.493 0 50 FKAA Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2F)cc1 4948495 XSQAMMJBXBCSCB-NRFANRHFSA-N 368.814 5.974 0 50 FKAA CCc1cc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc2cc1O 5576004 AWCPQOLLTORCEF-UHFFFAOYSA-N 368.282 5.011 0 50 FKAA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2Cl)C1 5902165 VMUZGPAREKLYDV-LLVKDONJSA-N 362.926 5.387 0 50 FKAA Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cccs3)ccc2o1 9660003 LBDKSYKZAPJWRU-UHFFFAOYSA-N 361.422 5.082 0 50 FKAA biogenic Cc1nn(C)c(C)c1-c1c(-c2ccccc2)ncn1[C@@H](C)CCc1ccco1 65375764 MWKPNJVOBKGYJI-INIZCTEOSA-N 374.488 5.354 0 50 FKAA O=C(CCNc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 637038 BWKQJBHJRTYEDE-UHFFFAOYSA-N 373.077 5.441 0 50 FKAA Cc1ccc(NC(=O)Oc2ccccc2)cc1NC(=O)Oc1ccccc1 640558 HRHQJVCYJQPJQA-UHFFFAOYSA-N 362.385 5.217 0 50 FKAA O=C(/C=C/c1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1 2570907 JCYPLOQMBNNZBT-SNAWJCMRSA-N 371.061 5.408 0 50 FKAA Cc1cccc(C)c1NC(=O)c1sc2ccccc2c1Br 4542597 FZUAJVRWJFNZFP-UHFFFAOYSA-N 360.276 5.533 0 50 FKAA COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)cc1OC 4677178 QIVXDYJCWURJEX-UHFFFAOYSA-N 371.820 5.178 0 50 FKAA CC(C)c1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1 13745346 WXVOPPIAVAVIGY-CYBMUJFWSA-N 361.283 5.455 0 50 FKAA Cc1cccc2c(C(=O)N3[C@@H](C)CCC[C@H]3C)cc(-c3cccnc3)nc12 18009737 BGYQVBDDHNDVLW-CALCHBBNSA-N 359.473 5.008 0 50 FKAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]12C 254824863 RVGVSOKFBAOUCH-QDKWQFEQSA-N 374.565 5.715 0 50 FKAA CC(C)Oc1ccccc1-c1ccc(C(=O)N2CCC(F)(F)CC2)cc1 426474436 WEVTZLOWETYXEW-UHFFFAOYSA-N 359.416 5.012 0 50 FKAA CC(C)[C@@H]1C[C@@H](CN[C@@H](C)c2cc(Cl)ccc2OC(F)F)CCO1 1875329637 AYHXYZCCVGGDAK-DCGLDWPTSA-N 361.860 5.043 0 50 FKAA Cc1cc(-c2ccccc2)n2nc(-c3ccc(Br)cc3)cc2n1 634285 MAJZWPGMNFUAQU-UHFFFAOYSA-N 364.246 5.134 0 50 FKAA CC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 1217793 QSLQORWXSLQSBI-OAQYLSRUSA-N 361.466 5.361 0 50 FKAA COc1ccc(CSc2nnc(SCc3cccc(C)c3)s2)cc1 1252223 STXPTGCZGMQOOA-UHFFFAOYSA-N 374.556 5.440 0 50 FKAA Cc1ccc(OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 2079399 NVFBWJNPXZFSRT-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 4541829 WYEYLLSNBKEGPE-UHFFFAOYSA-N 360.240 5.825 0 50 FKAA C/C=C/C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5282680 XRTPEESNSYJSCP-NSCUHMNNSA-N 362.496 6.551 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1 13586462 YAAODHHMHPMCPL-UHFFFAOYSA-N 351.409 5.063 0 50 FKAA in-vivo O=C(/C=C/c1ccco1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 15659767 KWDSARZCPOSYHW-CSKARUKUSA-N 364.788 5.393 0 50 FKAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@H]3c3ccc(F)cc3)[nH]c12 91321431 YIXIAQCSULFBEH-SFHVURJKSA-N 350.437 5.210 0 50 FKAA C[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)[C@H]2C=C(Cl)C=C[C@H]2S1 252428319 YENHYTINCMYKIP-PPRPKMEESA-N 362.966 6.072 0 50 FKAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 1208572 MEQWPGASWLSZNH-UHFFFAOYSA-N 364.788 5.106 0 50 FKAA biogenic CC[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1 5060127 RQLITHPGTYYLRA-LJQANCHMSA-N 356.425 5.627 0 50 FKAA O=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 71770890 LMXUNBHWDGTMFZ-UHFFFAOYSA-N 364.253 5.411 0 50 FKAA CC(C)C1CCC([C@](C)(O)CNCc2ccc(F)c3ccccc23)CC1 2325842048 NCDLUWPVBMBZEJ-MCSCQSGASA-N 357.513 5.282 0 50 FKAA Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 652093 GYZJBKLVQCLOEX-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA Brc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1 1066537 PELALPFFXQJWQP-UHFFFAOYSA-N 371.303 5.135 0 50 FKAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2cc(Br)ccc2c1 1125290 CQNITUUBSAFUCT-CYBMUJFWSA-N 370.246 5.008 0 50 FKAA COc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)c(Cl)c1 1211525 DHPGZTHZUDTNHB-UHFFFAOYSA-N 361.681 5.464 0 50 FKAA CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1ccccc1Cl 1386411 OWBVNTPHIRCIEF-UHFFFAOYSA-N 370.861 5.125 0 50 FKAA CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 1769017 KYPYTERUKNKOLP-UHFFFAOYSA-N 366.071 6.037 0 50 FKAA biogenic,in-vitro Cc1cc(C)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(Cl)c1 1910502 NIUHWVCJWKDXIR-HMMYKYKNSA-N 361.872 6.136 0 50 FKAA CCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12 2079442 CHRUAEXEXIGVEX-UHFFFAOYSA-N 355.821 5.131 0 50 FKAA C[C@@H]1CCc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 2264730 ASMHZSJPGOFQIB-OAHLLOKOSA-N 362.498 5.039 0 50 FKAA Ic1ccc(-c2ccc(C3=CCCCC3)cc2)cc1 2518893 HJHGPCAJULJWFB-UHFFFAOYSA-N 360.238 5.916 0 50 FKAA Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2977798 HLLUEVWEOYZPNL-JTQLQIEISA-N 358.652 5.361 0 50 FKAA Cc1ccc(-c2cc(-c3ccccc3)nc3oc(-c4ccccc4)nc23)cc1 5570997 UQWCJZASAMLRBA-UHFFFAOYSA-N 362.432 6.532 0 50 FKAA Cc1c([C@H](C)NCc2cnc(-c3ccccc3)s2)cnn1-c1ccccc1 19773800 YEFCREPTTUBRCZ-INIZCTEOSA-N 374.513 5.155 0 50 FKAA COc1ccc(OC)c2c(C)cc(NCc3cccc4ccccc34)nc12 23550128 RWNIJQLZZFKRPE-UHFFFAOYSA-N 358.441 5.326 0 50 FKAA O=C(C[C@H](Nc1ccc2ccccc2c1)c1cccnc1)c1cccnc1 23634076 UKWLIFLKUCAXQI-QFIPXVFZSA-N 353.425 5.056 0 50 FKAA c1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)cc1 27585913 YVVVXIZCZURZHU-UHFFFAOYSA-N 362.436 5.807 0 50 FKAA C[C@H]1[C@]2(C)CC[C@@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]2O[C@]12CC[C@@H](C)CO2 257349782 RCUTXCNUFHNHOK-SQIYVTISSA-N 374.565 5.078 0 50 FKAA Cc1ccc(NC(=O)Oc2cc(C)c(Br)cc2C)cc1Cl 640851 QCAXPVJYRWKJRW-UHFFFAOYSA-N 368.658 5.639 0 50 FKAA CCOc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 780071 FYNUZULLPZMHMS-UHFFFAOYSA-N 362.454 5.920 0 50 FKAA aggregator CC(C)(C)c1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 945439 NSVWZSKEQRQXSQ-UHFFFAOYSA-N 368.477 5.423 0 50 FKAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 992936 KFEGSHLTKMOXHP-OAQYLSRUSA-N 364.828 5.429 0 50 FKAA O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3s2)cc1 1010637 BTLQRVSRGMDDFC-UHFFFAOYSA-N 350.468 5.206 0 50 FKAA O=C(Nc1ccccc1OC(F)F)C(c1ccccc1)c1ccccc1 1114884 WHMQLLRVSXQVET-UHFFFAOYSA-N 353.368 5.059 0 50 FKAA CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1cc(C)ccc1C 1186196 ZZFKIJWCOKGFKA-UHFFFAOYSA-N 368.477 5.771 0 50 FKAA CCOc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 1202756 FEVXEESIHQCBNC-HSZRJFAPSA-N 370.452 5.169 0 50 FKAA O=C(NC1CCCC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1211968 VUTYTILDHXSYBR-UHFFFAOYSA-N 350.849 5.228 0 50 FKAA Nc1c(-c2ccc(Cl)cc2)cnn1-c1nc(-c2ccccc2F)cs1 1384103 QPFVDDMMQPMXLH-UHFFFAOYSA-N 370.840 5.038 0 50 FKAA O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1c(Cl)cccc1Cl 2086249 OTIFDQVCZSIBKS-FNORWQNLSA-N 361.055 5.952 0 50 FKAA Clc1ccccc1N1N=C(/C=C/c2cccs2)C[C@@H]1c1cccs1 4257513 JASSZTQDUJBWHQ-QZEKMECESA-N 370.930 6.484 0 50 FKAA CCCCCCOc1ccc(OC(=O)C2CCC(CCCC)CC2)cc1 16638315 JRADJRGNSFYGJB-UHFFFAOYSA-N 360.538 6.548 0 50 FKAA c1ccc2cc(-c3c[nH]nc3C3CCN(Cc4ccoc4)CC3)ccc2c1 20535538 GSQSICZZFFJMHB-UHFFFAOYSA-N 357.457 5.203 0 50 FKAA O=C(Nc1ccc2c(c1)OCO2)N1CCCCC[C@H]1c1ccc(Cl)cc1 35561795 SFFNAOKIAWMBCT-KRWDZBQOSA-N 372.852 5.218 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609830 RPKLZQLYODPWTM-AYHNZTASSA-N 360.582 6.536 0 50 FKAA CC1(C)CCC[C@H]([C@](C)(O)CNC(=O)CC2CCC3(CCCC3)CC2)C1 2325817588 DEZIJZLLTCNUQY-SIKLNZKXSA-N 363.586 5.211 0 50 FKAA CCC(C)(C)c1ccc(COC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1 2325853357 MTFXJLVMTFVVGR-UHFFFAOYSA-N 355.865 5.866 0 50 FKAA COc1cccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)c1 828378 CUOBWTUYPBFNMO-VGSWGCGISA-N 372.468 5.287 0 50 FKAA Cc1cc(C)c(C(=O)CCCCC(=O)c2c(C)cc(C)cc2C)c(C)c1 2156466 ISIAAYLOJXRTOK-UHFFFAOYSA-N 350.502 6.163 0 50 FKAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1Cl 2438854 XLOKMXQDOWTRCI-UHFFFAOYSA-N 367.663 5.101 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3cccc(OC(C)C)c3)nc12 2526045 ZVUUXTXIYWSYPR-UHFFFAOYSA-N 355.821 5.349 0 50 FKAA CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 3870481 RAVIZVQZGXBOQO-CQSZACIVSA-N 352.865 5.426 0 50 FKAA biogenic,in-vivo Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1 4016103 BATCUENAARTUKW-UHFFFAOYSA-N 352.433 5.481 0 50 FKAA in-vitro C(=C/c1nc2ccccc2n1Cc1ccc2ccccc2c1)\c1ccco1 4136446 QPVFNJHUDIVABF-BUHFOSPRSA-N 350.421 6.001 0 50 FKAA c1ccc(C(c2ccccc2)c2noc(CN3CCCCCCC3)n2)cc1 12030428 QJYTYNGOCADNJT-UHFFFAOYSA-N 361.489 5.016 0 50 FKAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)cc1 12308078 SRTVJQJJEAWPCS-JOCHJYFZSA-N 373.500 5.075 0 50 FKAA COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13330067 STZHKUOGCIEESE-VIFPVBQESA-N 373.667 5.538 0 50 FKAA Cc1cccc(C)c1NC(=O)c1cccc(CN(C)[C@@H](C)c2ccco2)c1 65525673 SZWHMTQXRBZBNS-SFHVURJKSA-N 362.473 5.342 0 50 FKAA C[C@@H](Oc1ccccc1F)c1nnc(-c2ccc(Cl)cc2Cl)o1 122187331 NIWMVSWDWUAEBB-SECBINFHSA-N 353.180 5.323 0 50 FKAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCc2c([nH]c3ccccc23)C1 756605 KWQTXMAIRPMWQC-CQSZACIVSA-N 358.407 5.176 0 50 FKAA CCc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1 845934 FJUVUZWJUFBKFH-UHFFFAOYSA-N 372.516 5.004 0 50 FKAA biogenic Cc1cc(OC/C=C/c2ccccc2)c2c(-c3ccccc3)cc(=O)oc2c1 1797555 NKBUMAALOBGJJV-DHZHZOJOSA-N 368.432 5.861 0 50 FKAA biogenic CCCCc1cc(=O)oc2cc(OCc3ccc(F)cc3Cl)ccc12 2902418 XPTVARCRMRLROW-UHFFFAOYSA-N 360.812 5.507 0 50 FKAA COc1cc2c(cc1NC(=O)c1ccccc1Cl)oc1ccccc12 4037512 SGRYPYFHFQLAMI-UHFFFAOYSA-N 351.789 5.500 0 50 FKAA Cc1ccc(C)c(NC(=O)CCCCCCCCCC[C@H]2CCCO2)c1 4712826 UUPPLPKWLWRRQF-NRFANRHFSA-N 359.554 6.322 0 50 FKAA Cc1cccc(-c2nnc(-c3ccc(NC(=O)C4CCCCC4)cc3)o2)c1 4809064 IYDCVMDLTMMDFO-UHFFFAOYSA-N 361.445 5.231 0 50 FKAA Fc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3ccccc3F)C2)cc1 5073933 JPWCUXOLHOTIGB-OAQYLSRUSA-N 368.814 5.974 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C(C)=O)=C(C)C[C@@H]32)C1 5231983 NELMHAIFXJZDST-ZNNXEISXSA-N 370.533 5.396 0 50 FKAA biogenic C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 13329875 YKXBHUKHJMULCJ-UZNLNLPZSA-N 367.320 5.322 0 50 FKAA Brc1ccc(-c2ccc3ccccc3c2-c2ccccc2)cc1 211256722 VVYSUQUUWWPGMD-UHFFFAOYSA-N 359.266 6.936 0 50 FKAA C[C@H](Oc1ccc(Cl)nc1)c1nc([C@@H](C)Sc2ccccc2)no1 1875331327 FKUCILCNCUTOIA-NWDGAFQWSA-N 361.854 5.111 0 50 FKAA CC(C)c1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 647364 FAFVYBXTAZBAII-UHFFFAOYSA-N 370.246 5.486 0 50 FKAA Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br 674492 SPWWCSULUMRAJG-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)C3CC3)c2C(=O)OC)cc1 689144 YFRBGFAYTIDLQE-LBPRGKRZSA-N 371.502 5.372 0 50 FKAA Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 712402 BJMFYDGNDJRERM-UHFFFAOYSA-N 355.221 5.475 0 50 FKAA O=C(Nc1cccc2ccccc12)NC(c1ccccc1)c1ccccc1 787451 VVJMPKFJJIIOAM-UHFFFAOYSA-N 352.437 5.751 0 50 FKAA Cc1ccc2nc(Nc3ccc(C(=O)O)cc3)nc(-c3ccccc3)c2c1 850401 HIBZKPHCRYJHCJ-UHFFFAOYSA-N 355.397 5.047 0 50 FKAA CC(C)c1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 1148977 UOSBMMGHNCATLZ-UHFFFAOYSA-N 357.413 5.266 0 50 FKAA O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)C1CCCCC1 1214982 DCBYICRMODEOOI-UHFFFAOYSA-N 369.317 5.560 0 50 FKAA CCCOc1ccc(-c2nc(Oc3ccccc3)c3ccccc3n2)cc1 1815728 UXQWNTQLYSCJDE-UHFFFAOYSA-N 356.425 5.878 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3cccc(OCC(C)C)c3)nc12 2526053 RMXDIEJWLCTIFI-UHFFFAOYSA-N 369.848 5.597 0 50 FKAA CCc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(CC)cc3)c2)cc1 2825945 POQKTQBJOYMCBU-UHFFFAOYSA-N 374.436 5.250 0 50 FKAA O=C(Nc1ccccc1SC(F)(F)F)c1ccc(Cl)cc1Cl 2864157 OMUHTCUMSOGVBP-UHFFFAOYSA-N 366.191 5.858 0 50 FKAA O=C(Oc1ccc(-c2ccccc2)c(F)c1)c1cccc(C(F)(F)F)c1 4050246 FGLUJEQOOUIHLO-UHFFFAOYSA-N 360.306 5.731 0 50 FKAA COc1ccc(C(=O)CCCCCC(=O)N(C)[C@H](C)c2ccccc2)cc1 170608144 ATAUMJWQXFFTFP-GOSISDBHSA-N 367.489 5.048 0 50 FKAA Cc1sc2ncnc(SCc3ccc(Br)cc3)c2c1C 952382 FVLBGNFJVOXUTD-UHFFFAOYSA-N 365.321 5.363 0 50 FKAA O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(Oc2ccccc2)cc1 2835274 FVVMHMDWSMTZNZ-UHFFFAOYSA-N 365.388 5.433 0 50 FKAA CC(C)CC(=O)N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 3053162 DXCBIWIIQAUCMU-INIZCTEOSA-N 373.711 5.110 0 50 FKAA Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1 3876974 XVMDHCBPEJYASJ-JCMHNJIXSA-N 367.452 5.108 0 50 FKAA CCc1ccc(-c2nc3cc(NC(=O)/C=C\c4ccco4)ccc3o2)cc1 4592677 QAAAFMKLJPGKCI-BENRWUELSA-N 358.397 5.302 0 50 FKAA CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 4854031 MSWDUZLRIJNMEH-HKUYNNGSSA-N 361.272 5.519 0 50 FKAA O=C(N[C@@H]1CCCc2ccccc21)c1sc2cccc(F)c2c1Cl 6885852 YDRIOLJYZYTMEZ-CQSZACIVSA-N 359.853 5.501 0 50 FKAA O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2)c1SC1=NCCS1 9860940 FANRWLCIBNVQQM-UHFFFAOYSA-N 372.902 5.043 0 50 FKAA Fc1ccc2c(c1)-c1nc(-c3ccccc3)cc(-c3ccccc3)c1CO2 13828472 DQEDIYWJKIFONO-UHFFFAOYSA-N 353.396 6.114 0 50 FKAA Cc1ccc(C)c(NC(=O)N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1 15075112 UTSODWXBQBBAOA-KRWDZBQOSA-N 370.880 5.084 0 50 FKAA COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)cc1OC 35561635 RGGWZIHGIIXKIR-IBGZPJMESA-N 368.477 5.161 0 50 FKAA CC1(C)c2cc(Br)ccc2Nc2ccc(Br)cc21 142116770 OJDIPHRGWNTBOO-UHFFFAOYSA-N 367.084 5.595 0 50 FKAA in-vitro Cn1nccc1/C=C1\C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 147162919 ARYVICLZGFZHAR-NCMCOEMDSA-N 368.565 5.207 0 50 FKAA O=C(c1cccc(COc2cccc3ccccc23)c1)N1CCCCCC1 672857 IVIUCIAPRXFQFV-UHFFFAOYSA-N 359.469 5.435 0 50 FKAA COc1ccc(Cl)cc1NC(=O)c1sc2ccccc2c1Cl 853524 OMDAIGXOROJWHR-UHFFFAOYSA-N 352.242 5.469 0 50 FKAA Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccs4)c3)nc2c1 1053983 QZOHNOAIYRKJRJ-UHFFFAOYSA-N 368.845 5.770 0 50 FKAA CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 1200033 YCFHMQNYTUGJCP-MRXNPFEDSA-N 364.514 5.676 0 50 FKAA Cc1ccccc1Cn1nc(C)c(NC(=O)c2oc3ccccc3c2C)c1C 4803291 SLSAWTSOUWBBPS-UHFFFAOYSA-N 373.456 5.164 0 50 FKAA c1ccc(-c2cnc(Nc3ccc(OCCN4CCCC4)cc3)s2)cc1 35052133 FNZTULJDGIXMJJ-UHFFFAOYSA-N 365.502 5.028 0 50 FKAA in-vitro CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 253611250 GFHOQCXDABGYAL-NMTJCNINSA-N 360.538 5.166 0 50 FKAA C[C@H]1CCCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)C1 1083454 MRDBEAPOUDGGET-LBPRGKRZSA-N 368.260 5.038 0 50 FKAA Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 1120639 LPZSEIVRTMPBNR-UHFFFAOYSA-N 367.832 5.458 0 50 FKAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c(Cl)cccc1Cl 1136282 KIKPRRKGEJABFF-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA O=C(Nc1ccc(Cl)cc1F)C1c2ccccc2Oc2ccccc21 1140180 ZKGUEHVQHCXECW-UHFFFAOYSA-N 353.780 5.355 0 50 FKAA O=C1C(Nc2ccccc2)=C[C@@H](Nc2ccccc2)/C1=C\c1ccccc1 1195681 CHQZYBFTXJEWBH-QEQIRTOISA-N 352.437 5.129 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(Cl)cccc12 2526081 SEKWXYYUEZWSOL-UHFFFAOYSA-N 352.604 5.560 0 50 FKAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)c1 5136974 JZOWEIHQVPQDRU-JTHBVZDNSA-N 374.415 5.077 0 50 FKAA O=C(c1c(F)cccc1Cl)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71752608 IOEOVIVOFPDNMK-HNNXBMFYSA-N 363.835 5.103 0 50 FKAA O=C(c1cc(-c2ccccc2)on1)N1CCCCC[C@@H]1c1cccc(F)c1 82161112 WDHZNMRBBGNFQD-HXUWFJFHSA-N 364.420 5.238 0 50 FKAA C[Si](C)(C)c1c(Cl)c(Cl)c([Si](C)(C)C)c(Cl)c1Cl 169816756 UVSWEBXPEWPVDH-UHFFFAOYSA-N 360.260 5.391 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C 257350110 UTGYMZAUDAYPOM-BOKDSARMSA-N 370.665 8.274 0 50 FKAA C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1cccc(Cl)c1 1875306237 YEAILTYANVSFOU-GFCCVEGCSA-N 370.802 5.454 0 50 FKAA C[C@H]1CC(Sc2nnc(-c3ccco3)n2-c2ccccc2)C[C@H](C)C1 1875335216 WXRQSOJDMWZNIZ-HUUCEWRRSA-N 353.491 5.444 0 50 FKAA Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)c2c(c1)[C@@H](C)CCN2 2325843134 WJCQNGCCXUKBTB-KRWDZBQOSA-N 371.484 5.910 0 50 FKAA CCN(CC)c1cccc(OC(=O)Nc2c(Cl)cccc2Cl)c1 640684 YOCRZAGTPMLEPH-UHFFFAOYSA-N 353.249 5.451 0 50 FKAA O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Br)o1 657534 PFAIMWXBLUWWMD-UHFFFAOYSA-N 358.191 5.087 0 50 FKAA CCOc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 951483 DIQNHKWEAOVAEX-VQHVLOKHSA-N 359.853 5.016 0 50 FKAA CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2Cl)C1 2558448 VMUZGPAREKLYDV-NSHDSACASA-N 362.926 5.387 0 50 FKAA c1ccc(C[C@@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 2810832 MHCMSXFDLFUTKC-KRWDZBQOSA-N 352.441 5.008 0 50 FKAA COc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3cccs3)C2)cc1 4010926 JSNGVIUYTDILRY-IBGZPJMESA-N 368.889 5.766 0 50 FKAA Cc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542165 HDTMKTOYNFPPQC-ACCUITESSA-N 351.833 5.869 0 50 FKAA CCOc1ccc([C@H]2CC(c3ccccc3)=Nc3ccccc3S2)cc1 5033937 HNOLCCQXXQWZPM-HSZRJFAPSA-N 359.494 6.443 0 50 FKAA CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCc1ccccc1 19791954 ULMCPYXNMXRWGK-UHFFFAOYSA-N 368.864 5.028 0 50 FKAA Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 25573002 NACOUHZWWIXOGK-PXNSSMCTSA-N 368.795 5.314 0 50 FKAA Cc1ccc(C(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)cc1 28291444 UPYJYFAFNGRKTN-UHFFFAOYSA-N 354.812 5.030 0 50 FKAA Brc1csc2c1sc1c(Br)csc12 44075615 MFLUNTNNZSCLFW-UHFFFAOYSA-N 354.113 5.703 0 50 FKAA in-vitro CC(C)C1CCC([C@@](C)(O)CNCc2ccc3c(c2)CCC3(C)C)CC1 2325841876 IQPONHMGEVRHNS-HQOBLLPJSA-N 357.582 5.213 0 50 FKAA Fc1cccc(-c2ccc(Nc3ccc(C(F)(F)F)cc3)nc2)c1F 2356148934 APSPFYSXLBRGCB-UHFFFAOYSA-N 350.290 5.789 0 50 FKAA Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 631186 IAPHSZIXFIJGEP-IAGOWNOFSA-N 359.260 5.040 0 50 FKAA Cc1cc(C(F)(F)F)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c12 663257 QNBXJYQGSJWTAL-UHFFFAOYSA-N 370.783 5.090 0 50 FKAA Fc1ccccc1COc1ccc(-c2nnc3ccc4ccccc4n23)cc1 720150 GCDZYCBQHFFYCH-UHFFFAOYSA-N 369.399 5.268 0 50 FKAA Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 912334 QEAWMPMQNQLHHN-ZDUSSCGKSA-N 368.527 5.100 0 50 FKAA CSc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 1050802 OBIDGQFLFKKWQH-UHFFFAOYSA-N 355.887 5.073 0 50 FKAA O=C(/C=C/c1c(F)cccc1Cl)Nc1ccccc1Oc1ccccc1 1113970 HCZBZLHBFYIAAR-BUHFOSPRSA-N 367.807 5.923 0 50 FKAA CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 1779142 AQECZSUJPQUYCD-SAPNQHFASA-N 371.480 5.788 0 50 FKAA CCc1ccccc1-n1c([C@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]c1=S 2791812 GBHGJCGJWKLHCP-CVEARBPZSA-N 355.894 5.417 0 50 FKAA COc1ccccc1[C@@H]1CCN(Cc2ccoc2)c2ccccc2S1 11791138 QMEGEJRQLYJRDP-FQEVSTJZSA-N 351.471 5.532 0 50 FKAA CC[C@@H](c1cc(C)ccn1)n1cnc(-c2ccccc2)c1-c1cccnc1 65381797 QJTXNFGUCKOCGF-NRFANRHFSA-N 354.457 5.315 0 50 FKAA O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)N[C@H]1C[C@H](c2ccccc2)C1 2325866185 CPDUCSYKFBUSJX-VURPSTOHSA-N 368.908 5.222 0 50 FKAA O=C(NCCCCc1ccccc1)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 2325866252 FPJDGKGSXHZKHR-TZIWHRDSSA-N 370.924 5.298 0 50 FKAA CC[C@H](C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)c1ccccc1 682337 PKZHIVYCGNVOHH-IBGZPJMESA-N 356.469 5.947 0 50 FKAA COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1OC 5611178 JQFCSPGILFYQMW-UHFFFAOYSA-N 374.415 5.567 0 50 FKAA CCOc1cc(C(C)(C)C)ccc1[C@@H]1COC(c2c(F)cccc2F)=N1 5863186 IXSZQYVWNJNRAL-KRWDZBQOSA-N 359.416 5.179 0 50 FKAA biogenic,in-vitro Cc1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2C)cs1 17075719 AGWCBMOIYMCRDB-UHFFFAOYSA-N 369.437 5.163 0 50 FKAA Clc1cccc2ccc(N3CCc4onc(-c5ccccc5)c4C3)nc12 67871752 PVIYJGZVDJPTGB-UHFFFAOYSA-N 361.832 5.106 0 50 FKAA CC(C)Nc1cccc(-c2cn([C@@H](C)c3cccc(Cl)c3F)nn2)c1 2325840081 OHPCHGPRNOUXBM-ZDUSSCGKSA-N 358.848 5.167 0 50 FKAA CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2F)cc1 645415 VJKRTPACCUTHJJ-UHFFFAOYSA-N 363.432 5.169 0 50 FKAA Cc1cccc(C[C@@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1 824728 GROOKPHVLDTGFU-SFHVURJKSA-N 366.468 5.317 0 50 FKAA Cc1cccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 1077349 ILHYBLVBQQFGLW-MRXNPFEDSA-N 352.484 5.110 0 50 FKAA COc1ccc(-c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1 1077716 IXNKUVCLARZFAH-UHFFFAOYSA-N 358.393 5.048 0 50 FKAA biogenic Cc1ccc(SCC(=O)Nc2ccc(Br)c(C)c2C)cc1 1139487 FJGOYCFIRIWDJA-UHFFFAOYSA-N 364.308 5.105 0 50 FKAA N=C(Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 1895591 ZZVGLDBDDYESAB-UHFFFAOYSA-N 369.921 5.171 0 50 FKAA in-vivo Clc1ccc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)cc1 2278353 QFXLZCCVKGLOAA-UHFFFAOYSA-N 366.639 5.319 0 50 FKAA Cc1cccc2c(C(=O)Oc3ccc(Cl)cc3)cc(-c3ccccc3)nc12 2578183 IRVBIUWFSYJQNB-UHFFFAOYSA-N 373.839 6.083 0 50 FKAA Clc1cc(Br)ccc1OCCCCN1CCCCCC1 2839011 DOTYVWNXLDIRTA-UHFFFAOYSA-N 360.723 5.138 0 50 FKAA COc1cccc(OC)c1OCCCCOc1cccc(Cl)c1Cl 2984973 CCOAROAYMQXYCJ-UHFFFAOYSA-N 371.260 5.249 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC=CC[C@]4(C)[C@@H]3CC[C@]12C 3054570 BDJOURVDARTIRJ-LIMLEHFYSA-N 368.649 8.194 0 50 FKAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 5128957 LNVTUNIIHRUWNA-UHFFFAOYSA-N 374.484 5.122 0 50 FKAA CCCCCC1CCC(c2ccc3ncc(C(=O)OCC)c(O)c3c2)CC1 8782126 USAUSMYHEZQMTO-UHFFFAOYSA-N 369.505 5.971 0 50 FKAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 13846998 KVCQLVLKRHUORD-HDICACEKSA-N 371.889 5.171 0 50 FKAA Cc1ccc([C@H](C)NC(=S)Nc2ccccc2C(F)(F)F)cc1C 17073040 PEGJCWVOHUETJI-ZDUSSCGKSA-N 352.425 5.370 0 50 FKAA Cc1cc(NC(C)C)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 21790490 JKSYGCRTXVSNGO-UHFFFAOYSA-N 368.790 5.197 0 50 FKAA C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1[C@H](C)c1ccncn1 65393755 WDKUCWSLFGUTJH-HJUDDPQBSA-N 356.429 5.103 0 50 FKAA CN1CCC(n2cnc(-c3ccccc3)c2-c2cccc(Cl)c2)CC1 65395141 YWMZYJOIONBOIJ-UHFFFAOYSA-N 351.881 5.137 0 50 FKAA CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169293812 WKJWFESSCHFAQW-XWPMNIEDSA-N 374.528 5.511 0 50 FKAA Clc1ccc(Oc2cccc(CN3CCC[C@@H]4CCCC[C@H]43)c2)cc1 229912383 RYCRTNPTJUFFBR-PGRDOPGGSA-N 355.909 6.287 0 50 FKAA CCCCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1Cl 822815998 VWVAZMXTNHNJDM-DLBZAZTESA-N 370.880 5.211 0 50 FKAA O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)N[C@H]1C[C@H](c2ccccc2)C1 2325866184 CPDUCSYKFBUSJX-RMVXJAJNSA-N 368.908 5.222 0 50 FKAA CCOc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc(Cl)c1O 795915 BSMJYSIGVMCHSW-INIZCTEOSA-N 367.832 5.072 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 849836 BTESNZZMSZYEQD-LAUBAEHRSA-N 357.457 5.671 0 50 FKAA COc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1Cl 1177359 GUQWSNIKKIYJMA-UHFFFAOYSA-N 373.880 5.414 0 50 FKAA CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 2183506 CNMAHTLZSUZEPX-UHFFFAOYSA-N 370.543 5.137 0 50 FKAA Cc1ccc(NC(=O)c2sc3nccc(Nc4ccccc4)c3c2N)cc1 2267370 LGOSJCDOUBRARB-UHFFFAOYSA-N 374.469 5.183 0 50 FKAA Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc2c1Cl 2786678 PIESNZPJQYZYAY-UHFFFAOYSA-N 352.168 5.092 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1 13285132 OFLUQRFSRDOMKY-UHFFFAOYSA-N 353.425 5.112 0 50 FKAA CCCC[C@H](C(=O)c1cccs1)[C@@H](CCCC)C(=O)c1cccs1 25760264 JLKDAEGFZSFYSV-IYBDPMFKSA-N 362.560 6.488 0 50 FKAA COc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccccc1)oc1ccccc12 779108 VYYAZFIHXITYML-CQSZACIVSA-N 361.397 5.001 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 1207755 PLDIPTDUFRENSK-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA O=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)cc1Br 1233899 BTJIMIMWWNQWJP-UHFFFAOYSA-N 361.022 5.367 0 50 FKAA Brc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1 1431198 OEHZHXMGSQOSAT-UHFFFAOYSA-N 363.258 5.514 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1 2835373 RFMAYACHJJCIRX-UHFFFAOYSA-N 369.298 5.334 0 50 FKAA CCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 2863694 ZMTNPOZKACKTGH-UHFFFAOYSA-N 354.277 5.081 0 50 FKAA O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1Cl 3002005 GITMSNBPMCNGKO-UHFFFAOYSA-N 374.292 6.397 0 50 FKAA O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccc2ccccc2c1 4811519 HLUCQJNSBJUDAE-SAPNQHFASA-N 374.443 5.709 0 50 FKAA Cc1cccc(-c2nc(CN(C)[C@H](C)c3nc(C)sc3C)c(C)o2)c1 11843175 PBQWGJOSTMKSMV-CYBMUJFWSA-N 355.507 5.225 0 50 FKAA CC(=O)OCCO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 257348892 JTBQFWLJEIHPGJ-GXYAOEHPSA-N 362.554 5.368 0 50 FKAA Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1Oc1ccccc1 626099 QNILGGMBKXXYFE-UHFFFAOYSA-N 358.393 5.473 0 50 FKAA biogenic Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4C)c3C)oc2cc1C 1166735 URNRBFCWKMRLMP-UHFFFAOYSA-N 370.452 5.981 0 50 FKAA Clc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1 2901428 DCGZNTVGJLEMJU-UHFFFAOYSA-N 355.677 6.514 0 50 FKAA Cc1cc(OCc2cccc(F)c2)c2c(-c3ccccc3)cc(=O)oc2c1 2987762 XMYOYGVQTAIGEJ-UHFFFAOYSA-N 360.384 5.487 0 50 FKAA O=C(COc1c(Cl)cccc1Cl)Nc1ccccc1C(F)(F)F 4542099 OERWGYZWAGCOPH-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA Nc1nc(Nc2ccc(F)cc2)sc1C(=O)C12CC3CC(CC(C3)C1)C2 4689636 UBFJWIPTSYLOPP-UHFFFAOYSA-N 371.481 5.007 0 50 FKAA CC(=O)Oc1ccc(Br)cc1/C=C/c1ccc2ccccc2n1 4998941 SKHHISLRMXCQEE-JXMROGBWSA-N 368.230 5.093 0 50 FKAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)C(C1CC1)C1CC1 15067271 WPZUIUXWXREDEY-UHFFFAOYSA-N 364.411 5.289 0 50 FKAA O[C@@H](COc1ccccc1-c1nc2ccccc2s1)c1cccc(F)c1 755250779 UEHWRUKFQFZEPJ-SFHVURJKSA-N 365.429 5.215 0 50 FKAA CC1=C(CCN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)C(C)(C)CCC1 822312308 WWZLJBPOGJFEEW-DHIUTWEWSA-N 358.614 5.632 0 50 FKAA O=C1C[C@H](c2cccc(Br)c2)c2c(ccc3ccccc23)N1 853905 YZMPUSABODKFJE-MRXNPFEDSA-N 352.231 5.076 0 50 FKAA Cc1nc(SCC(=O)c2ccc(Cl)s2)c2c(C)c(C)sc2n1 1113833 MNQQTLCDFASGHU-UHFFFAOYSA-N 368.936 5.306 0 50 FKAA CCc1cc(=O)oc2cc(OCc3ccc(F)cc3Cl)c(Cl)cc12 1167699 USUOLRATYAKPNJ-UHFFFAOYSA-N 367.203 5.380 0 50 FKAA CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 2762749 KYNJZSXHXOMDCG-UHFFFAOYSA-N 365.454 5.234 0 50 FKAA Cc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1C 2811061 MVUZKAQVDLXIIK-UHFFFAOYSA-N 358.466 5.832 0 50 FKAA S=C(Nc1nc2c(s1)CCCC2)Nc1cccc(Cl)c1Cl 2853689 WRPNJDUWEJLDTD-UHFFFAOYSA-N 358.319 5.138 0 50 FKAA C[C@H](OC(=O)Nc1cccc2ccccc12)C(F)(F)[C@@H](F)C(F)(F)F 5721623 UEVPXDBUNGSYOL-TVQRCGJNSA-N 365.273 5.313 0 50 FKAA Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C/C=C/c2ccco2)c1 19730664 DLFRWFTYNLMROK-CZDPRXMLSA-N 370.452 5.127 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@@H]3CC[C@@]12C 257350111 UTGYMZAUDAYPOM-HTEMFJRPSA-N 370.665 8.274 0 50 FKAA Fc1ccc(-c2csc(-c3c(F)cccc3OC(F)F)n2)cc1Cl 1875329982 NFMWSRWXDGEYSX-UHFFFAOYSA-N 373.758 6.010 0 50 FKAA Fc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c(F)c1 641112 KIQKEDDXPCRXDY-UHFFFAOYSA-N 356.397 5.566 0 50 FKAA COc1ccc(-c2csc(N3CCC(c4ccccc4)CC3)n2)cc1 643255 FHXVGHWXXLPHJB-UHFFFAOYSA-N 350.487 5.203 0 50 FKAA CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 679954 RUIBYWLFINLVRR-UHFFFAOYSA-N 365.454 5.233 0 50 FKAA CC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 944912 YNNDNMBBDNRTGX-UHFFFAOYSA-N 371.786 5.500 0 50 FKAA O=C(Cc1cc2ccccc2oc1=O)c1ccc(Oc2ccccc2)cc1 1057428 WUFOYNOAGHLWLF-UHFFFAOYSA-N 356.377 5.011 0 50 FKAA COc1ccc(C)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 1115335 DWPJETBKFRHIDL-OAQYLSRUSA-N 363.482 5.476 0 50 FKAA CCN(CC)c1ccc(NC(=S)Nc2cc(Cl)ccc2OC)cc1 1119907 SGWLIUKJNYHIRC-UHFFFAOYSA-N 363.914 5.004 0 50 FKAA O=C(Nc1ccc(Cl)cn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 1176877 DNDLYDNYGOLWNF-UHFFFAOYSA-N 367.619 5.554 0 50 FKAA CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)nc2c1 1180401 IFOZFIYKOKSTHC-UHFFFAOYSA-N 356.425 5.618 0 50 FKAA COc1ccc(/C=C/C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 1218223 BJQPEGQHHZBREU-SAPNQHFASA-N 371.480 5.047 0 50 FKAA CCCc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 2493735 SWLRUHJTRXJGRP-UHFFFAOYSA-N 366.464 6.555 0 50 FKAA O=C(c1ccccc1)c1ccc(COc2ccc(Br)cc2)cc1 2868202 SSXOJFUULCXBTJ-UHFFFAOYSA-N 367.242 5.259 0 50 FKAA COc1cc2c(cc1NC(=O)c1ccc(C)cc1Cl)oc1ccccc12 2878332 YHHSALHFCKGJBD-UHFFFAOYSA-N 365.816 5.809 0 50 FKAA O=C(Nc1cccc(Cl)c1)c1ccc(CSCc2ccccc2)cc1 2958361 VWVAVULGNACCGY-UHFFFAOYSA-N 367.901 6.026 0 50 FKAA Cc1cc(C)c(OCCCCOc2cccc3cccnc23)c(Cl)c1 2986977 AVILWLFPUZDYJC-UHFFFAOYSA-N 355.865 5.743 0 50 FKAA c1ccc(COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)cc1 4680675 ZLGHCYBECWIMIE-UHFFFAOYSA-N 371.524 5.720 0 50 FKAA CCN(C(=O)[C@H](Sc1ccccc1)c1ccccc1)C1CCCCC1 6675457 VFMVXEYYRIQXSI-OAQYLSRUSA-N 353.531 5.701 0 50 FKAA Cc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)cc1 43083213 OSFINBOHKSPHDQ-SFHVURJKSA-N 367.443 5.043 0 50 FKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3C(=C(Cl)[C@]45CC[C@@H](C)[C@@H]4CC[C@@]35C)C[C@@H]12 71786356 XFAURFYZPSAOGO-JGDWVQBUSA-N 361.013 7.424 0 50 FKAA CC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3CCc4c(C)ccc(Cl)c4[C@H]3CC[C@@]21C 257355746 CLRZSUROXBJNDN-CBJMIOPYSA-N 360.925 5.826 0 50 FKAA Nc1ccc2nc(SCC(=O)c3ccc4ccccc4c3)sc2c1 1111942 SRLMKJZLTYYGID-UHFFFAOYSA-N 350.468 5.007 0 50 FKAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1ccccc1 1149005 OKQZJGDTPPJUNE-OAHLLOKOSA-N 351.833 5.413 0 50 FKAA CCCCOc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 1777460 UGBQBILQAFOLDY-UHFFFAOYSA-N 368.260 5.190 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 2869553 LCRLIRJUMWZDGS-UHFFFAOYSA-N 366.505 5.104 0 50 FKAA O[C@@H]1C[C@@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21 3133538 MSENWMQWPMYKPR-RBUKOAKNSA-N 370.370 6.067 0 50 FKAA Cc1cccc(C)c1N(Cc1ccccc1)C(=O)c1c(F)cccc1F 4991873 UUSYEGHZYLPAGA-UHFFFAOYSA-N 351.396 5.429 0 50 FKAA COc1cccc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5235420 GVCKZIWRJVVAHS-SFHVURJKSA-N 368.864 5.162 0 50 FKAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1cccc(Cl)c1)C2 14989710 NELRAIOCYINQOT-UHFFFAOYSA-N 371.889 5.169 0 50 FKAA CC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc([C@H](C)CC)cc1 20573152 LLOFWSBQVUMASU-ZHRRBRCNSA-N 350.506 5.962 0 50 FKAA O=C(O)CCCCCCCCCCCCCCCCCCCC(=O)O 38789214 PWLXTFFHCFWCGG-UHFFFAOYSA-N 356.547 6.568 0 50 FKAA biogenic O=C(O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64858578 BYIVGHIYNFQIJX-UHFFFAOYSA-N 371.436 5.280 0 50 FKAA in-vitro O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1ccsc1 139215050 SSJFXEZTIICADH-UHFFFAOYSA-N 374.537 5.914 0 50 FKAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1857666617 HIAJCGFYHIANNA-RMTJHEBJSA-N 374.565 5.427 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)Nc1c(Cl)cccc1Cl 640962 STFFAHYNWYKVKT-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C)cc1 994512 CSHWJQJRSOQUMM-UHFFFAOYSA-N 370.427 5.910 0 50 FKAA Cc1ccccc1-c1cc(C(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc2n1 995337 FBRAENZVFVJJQV-QZTJIDSGSA-N 358.485 5.613 0 50 FKAA O=S(=O)(Nc1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 1104789 DCRZZVKLWQLDPD-UHFFFAOYSA-N 359.450 5.308 0 50 FKAA CC[C@@H](C)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 1146911 JARKSAWQNWEFII-MRXNPFEDSA-N 357.453 6.076 0 50 FKAA COc1ccc(Cl)cc1Nc1nc(-c2ccc(Cl)c(C)c2)cs1 2561867 AIXSGSOVCAQGNW-UHFFFAOYSA-N 365.285 6.178 0 50 FKAA CCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC)s2)cc1 2755184 SMFAAOWRCSZHLJ-UHFFFAOYSA-N 366.486 5.414 0 50 FKAA CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2832457 CSHJDXDOBCFJJT-OLZOCXBDSA-N 366.288 5.913 0 50 FKAA CC(C)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 2843289 ISZKPANKJPNFLE-UHFFFAOYSA-N 372.493 6.339 0 50 FKAA COc1ccccc1C1N(c2ccc(C)cc2)CCN1c1ccc(C)cc1 3130468 UCZFGCSWRAFDQO-UHFFFAOYSA-N 358.485 5.337 0 50 FKAA CCCCOC(OCCCC)[P@](=O)(OCCCC)c1ccccc1 4948671 YTQLYJGNDVUJTF-XMMPIXPASA-N 356.443 5.324 0 50 FKAA Cc1c(-c2c(-c3ccccc3)ncn2Cc2ccno2)[nH]c2ccccc12 67852278 MFYMDMHDLLTZDJ-UHFFFAOYSA-N 354.413 5.043 0 50 FKAA O=C(c1cccc2ccccc12)c1cn(CCCCCCF)c2ccccc12 97758814 TVYGCQWIIHUDGL-UHFFFAOYSA-N 373.471 6.555 0 50 FKAA in-vitro CC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2sc(C)nc2C)cc1 426415322 JESGBHPFMRRADN-IBGZPJMESA-N 365.502 5.045 0 50 FKAA O=C(Cc1coc2ccc3ccccc3c12)Nc1nc2ccccc2s1 702395 GZVMTLRTUUHTIS-UHFFFAOYSA-N 358.422 5.377 0 50 FKAA Cc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)oc2cc1C 843720 LJMZTPYXAILOCA-MDZDMXLPSA-N 358.397 5.357 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2cccc(C)c2n1 1052470 SZQIPQVVQHEIHX-UHFFFAOYSA-N 370.905 5.544 0 50 FKAA CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(C)c(C)c1 1169835 FMVDRVWCPNNQAH-UHFFFAOYSA-N 368.477 5.771 0 50 FKAA COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 1170281 HHDKGJLTSXITIN-UHFFFAOYSA-N 353.805 5.393 0 50 FKAA Clc1ccc(Cn2c(NCc3cccs3)nc3ccccc32)cc1 1212109 IDNDJJSYQMNRKJ-UHFFFAOYSA-N 353.878 5.412 0 50 FKAA O=c1cc(-c2ccccc2)c2cc3c(-c4ccc(F)cc4)coc3cc2o1 2204510 SQWRMTHBWBQNLH-UHFFFAOYSA-N 356.352 6.012 0 50 FKAA Cc1ccccc1C(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2)C[C@@H]1C 2260598 IPICHAAZNFFADX-CVDCTZTESA-N 370.496 5.896 0 50 FKAA Clc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc12 2267275 IYGBISHFWMPCIK-UHFFFAOYSA-N 366.251 6.347 0 50 FKAA C(=C\N1CCCc2ccccc21)\C=C\C=C\C=[N+]1/CCCc2ccccc21 4774852 ZNUZCMHUQXFFED-UHFFFAOYSA-N 355.505 5.427 0 50 FKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)CC1 245189209 AJQMFUYBFQQAKA-VVPTUSLJSA-N 368.483 7.466 0 50 FKAA in-vitro CO[C@H](c1nc(C2CCC2)nn1-c1ccc(Cl)c(Cl)c1)C(C)C 1875348329 NLMWBXXCNRGBJI-HNNXBMFYSA-N 354.281 5.185 0 50 FKAA CCCC(CCC)C(=O)Nc1ccc(NC(=O)c2cccs2)c(C)c1 802350 YBZQEJUNPZIQIX-UHFFFAOYSA-N 358.507 5.464 0 50 FKAA Cc1ccc(C)c(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)c1 1073463 RADQYXGSFCZDPL-UHFFFAOYSA-N 370.427 5.910 0 50 FKAA Cc1cc(SCC(=O)c2ccc(Br)cc2)nc2ccccc12 1132532 WHWVEXQCGTWDTE-UHFFFAOYSA-N 372.287 5.281 0 50 FKAA CCO[P@](=O)(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1 1177378 ZLEKMJBLJQAMHS-PXDATVDWSA-N 351.386 5.437 0 50 FKAA CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 2050760 RQMSNORJVLQCIH-UHFFFAOYSA-N 372.424 5.536 0 50 FKAA COc1ccccc1-c1nc2sc(-c3ccccc3OC)nc2s1 6019356 CJCXSDJECXYLPM-UHFFFAOYSA-N 354.456 5.104 0 50 FKAA CC[C@H](C)c1ccc([C@@H](CC)NC(=O)Nc2cccc(SC)c2)cc1 13320023 VYQFFZCGEBRWGN-MGPUTAFESA-N 356.535 6.195 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)cc1C 20616361 YIBKHBOEROYSNJ-UHFFFAOYSA-N 367.374 5.781 0 50 FKAA S=C(Nc1ccccc1)N(C1CCCCC1)[C@H]1C[C@H]1c1ccccc1 22014294 QITMOQSHQJHWSX-SFTDATJTSA-N 350.531 5.574 0 50 FKAA c1coc(CN2CC[C@@H](c3ccnc(-c4cc5ccccc5s4)c3)C2)c1 65525788 JJJNZPZKNFLOAL-GOSISDBHSA-N 360.482 5.546 0 50 FKAA C[C@@H]1[C@@]2(CC[C@@H](C)CO2)O[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257349780 RCUTXCNUFHNHOK-NSOWYRCZSA-N 374.565 5.078 0 50 FKAA CCCC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2OC)cc1 679663 JFNOMHGFCYXZSI-UHFFFAOYSA-N 367.276 5.353 0 50 FKAA O=C1C[C@H](c2cccs2)SC(N(c2ccccc2)c2ccccc2)=N1 952740 VLYVSEKFUBXSFK-GOSISDBHSA-N 364.495 5.647 0 50 FKAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)nc2c1 989715 VGNHTYWAHLZFPF-UHFFFAOYSA-N 356.425 5.293 0 50 FKAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(OC)cc2)C1 2558459 PPFSGUAGQDTORR-ZDUSSCGKSA-N 372.534 5.132 0 50 FKAA CC(C)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 2850320 JRAXBLNCGRNCQA-UHFFFAOYSA-N 352.659 5.478 0 50 FKAA O=S(=O)(Oc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl 3000253 LHJWHPQKVREXRV-UHFFFAOYSA-N 372.056 5.068 0 50 FKAA Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 3834070 QADGBOQVBUXZKO-UHFFFAOYSA-N 350.458 5.273 0 50 FKAA in-vitro COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1 4854153 UUUKYIJBFLBCNO-IBGZPJMESA-N 368.864 5.162 0 50 FKAA CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)C1 5525670 DOGYPPMIZGQYII-JKSUJKDBSA-N 368.691 5.175 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3c(C)cccc23)c2ccccc21 71746330 MZYMFNUISGWLPY-UHFFFAOYSA-N 355.481 6.524 0 50 FKAA in-vitro Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccc2cc[nH]c2c1 194259619 GZWFLFYOTGMBJV-ZDUSSCGKSA-N 356.495 5.281 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CC[C@H]2O 257357455 OEECLXWCHUIMAU-SPLRZNHESA-N 374.565 5.222 0 50 FKAA C1=CC2=CC[C@]34C2=C(C1)CPCc1cccc(c13)C[C@@H]4c1ccccc1 263584565 WNSOXOMTYBAEBG-RDGATRHJSA-N 354.433 6.043 0 50 FKAA Clc1ccc(N=c2[nH]c(-c3ccc(C4CCCCC4)cc3)cs2)cn1 2325824225 VGWUBPUWFPTHIX-UHFFFAOYSA-N 369.921 6.072 0 50 FKAA CCN(CC)c1cccc(OC(=O)Nc2cccc(Cl)c2Cl)c1 641013 VNJYWBQQIQTEGB-UHFFFAOYSA-N 353.249 5.451 0 50 FKAA C[C@H](c1ccccc1)N(C(=O)c1ccccc1C(=O)O)[C@H](C)c1ccccc1 641896 NCYIVOVUPRJYNJ-QZTJIDSGSA-N 373.452 5.349 0 50 FKAA O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc2ccccc12 978171 ZLMJHCQHBJJPOZ-UHFFFAOYSA-N 359.469 5.905 0 50 FKAA Cc1cc(C)c(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)c(C)c1 2173055 KVZYSRBCNAUSSK-UHFFFAOYSA-N 352.455 5.047 0 50 FKAA CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccs1 2351887 GWHJFIHGHPGPJN-UHFFFAOYSA-N 370.330 5.626 0 50 FKAA CCc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cs1 2736160 JBGVZXGGICURRP-UHFFFAOYSA-N 362.907 5.648 0 50 FKAA O=C1C[C@H](c2ccc(F)cc2)c2cc(Br)c3ccccc3c2N1 2757488 QRKRRBDUXNQIOH-OAHLLOKOSA-N 370.221 5.216 0 50 FKAA CCOc1ccccc1OCCCCOc1ccc(Br)cc1 2994646 UJMLMRYMEPDKIL-UHFFFAOYSA-N 365.267 5.086 0 50 FKAA COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1 4199441 MYYLBXHBPJAGNE-OAQYLSRUSA-N 362.860 5.704 0 50 FKAA Cc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3C)o2)c1 4870043 GFYFPOMGXQREOM-UHFFFAOYSA-N 369.424 5.273 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]3(C)c2ccccc2)cc1 6417068 GVAPYEFIDJPHCU-LADGPHEKSA-N 370.452 5.112 0 50 FKAA COc1ccc(CC[C@@H](C)NCCC(c2ccccc2)c2ccccc2)cc1 6667607 QSJUSEFRZAVDFN-OAQYLSRUSA-N 373.540 5.828 0 50 FKAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 17976228 MQQNWHULXLVNPX-FGZHOGPDSA-N 369.420 5.088 0 50 FKAA C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CCC[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(C)CC[C@H]1C 257349792 RDZDBMLXWHANKR-YLUGQESZSA-N 368.649 8.028 0 50 FKAA Cc1ccc(C(C)(C)CNCc2nc3cc(Cl)ccc3n2C(C)C)cc1 1875357659 QBEXYGJEARPLDL-UHFFFAOYSA-N 369.940 5.646 0 50 FKAA Cc1cccc(NC(=O)Oc2c(C)cc(Cl)cc2Br)c1 640830 UQCRASKZOWWKGT-UHFFFAOYSA-N 354.631 5.330 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1Cl 641001 BFOHAXXPIMQGGM-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 683164 VNFPJZKIKQPRHP-UHFFFAOYSA-N 358.290 5.092 0 50 FKAA O=C(Nc1cccc(-c2nc3ccc(Cl)cc3o2)c1)c1ccccc1F 753376 NCROFFSDRINOFO-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA Cc1cc(=O)oc2cc(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 934509 YJGVMPPSTYNVBA-UHFFFAOYSA-N 370.404 5.030 0 50 FKAA Clc1ccc(Cl)c(-c2nc(-c3ccc(Br)cc3)no2)c1 1141080 OZHQGNVVKGGCSA-UHFFFAOYSA-N 370.033 5.473 0 50 FKAA Cc1cc(C)cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1 1153541 WOVWZQXYWIKGPH-UHFFFAOYSA-N 374.553 5.812 0 50 FKAA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC3CCCCCC3)cc12 2759801 SZFBGJRSGSTFLV-UHFFFAOYSA-N 374.528 5.759 0 50 FKAA COc1ccc(-c2nc(-c3ccc(OC)c(O)c3)[nH]c2-c2ccccc2)cc1 4870506 ZKTBXLVJHDQJGD-UHFFFAOYSA-N 372.424 5.134 0 50 FKAA biogenic CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)C(=O)c1ccc(N)cc1 5193355 WNGHEVVSGPPVMV-WOJBJXKFSA-N 360.586 6.144 0 50 FKAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)c2cccc(C)c2C)CC1 12056368 UNGUPXQSYHUPKI-UHFFFAOYSA-N 373.500 5.022 0 50 FKAA CCC(NC(=O)Oc1ccc(C(C)(C)C)cc1)(C(F)(F)F)C(F)(F)F 22589608 VTVHQCNHPDUHHX-UHFFFAOYSA-N 371.321 5.346 0 50 FKAA biogenic Clc1cccc(-c2nc(-c3ccccc3Br)no2)c1Cl 38537128 BITKEMIHQZIOMI-UHFFFAOYSA-N 370.033 5.473 0 50 FKAA in-vitro FC(F)(F)c1cccc(Oc2cccc(CN3CCCC3)c2Cl)n1 67755495 UFSXRRHOQNYYFB-UHFFFAOYSA-N 356.775 5.142 0 50 FKAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@@H](C)c5ccccc5)(C4)C2)C3)cc1 101112695 DDOMKZNKWZOSMW-CGIYAPMPSA-N 373.540 5.710 0 50 FKAA CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1 263618464 TXHFUCYJBLLNIG-VVPTUSLJSA-N 366.511 7.764 0 50 FKAA O=C(CC1CCCCC1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 303270692 FUVCRPUCJHGWLP-QGZVFWFLSA-N 374.283 5.003 0 50 FKAA Cc1ccccc1CNc1ccccc1NC(=O)c1cccc2c1NCCC2 2325841625 BRZLXPOBDGNAJC-UHFFFAOYSA-N 371.484 5.218 0 50 FKAA CC[C@@H](C)Oc1ccccc1-c1csc(-c2nc(C(=O)O)cs2)c1 2325867227 OXMGAZLNQUYWAQ-LLVKDONJSA-N 359.472 5.414 0 50 FKAA CC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 1053066 IYIHJQLGCLNZIU-UHFFFAOYSA-N 372.855 6.181 0 50 FKAA CN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc2ccccc12 1225338 LDUMPXXQKCCYJL-UHFFFAOYSA-N 353.465 6.264 0 50 FKAA Cc1ccc(NCCC(=O)c2cc3ccccc3o2)cc1Br 1428633 PZUYZWRVEXXTOR-UHFFFAOYSA-N 358.235 5.189 0 50 FKAA O=C(Nc1cc(F)ccc1F)c1ccc(COc2cccc(Cl)c2)o1 2764275 XUMADHZQHGMSRU-UHFFFAOYSA-N 363.747 5.043 0 50 FKAA COc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccc(OC)cc2)cc1 3877531 OBGMLJIWYIXCEE-UHFFFAOYSA-N 374.415 5.567 0 50 FKAA Fc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1Br 4978020 NOVWJCIVSBUQKD-UHFFFAOYSA-N 362.286 5.043 0 50 FKAA Cc1csc([C@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)oc2C)n1 15075615 KIONNQWLZCCRLP-LBPRGKRZSA-N 361.898 5.261 0 50 FKAA CC1(C)Sc2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1 43214857 QCHWOJUFLGMAFS-UHFFFAOYSA-N 352.502 7.515 0 50 FKAA COc1ccc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1 100653514 HXUXYRJTNVKJTO-QHCPKHFHSA-N 371.461 5.946 0 50 FKAA C[C@H](NCC[C@H]1OCCCC1(C)C)c1cc(Cl)ccc1OC(F)F 1875330578 UKGYLRVSUAKBBB-BLLLJJGKSA-N 361.860 5.187 0 50 FKAA S=c1cc(Sc2cc(=S)oc3ccccc23)c2ccccc2o1 754524 GFRDCZXBNFVBON-UHFFFAOYSA-N 354.477 6.789 0 50 FKAA O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(F)(F)F 942812 QGQGGAHXFBFPDX-UHFFFAOYSA-N 371.358 5.390 0 50 FKAA Cc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3ccccc3n2)c1 995687 MKMVWNVVAAKXNS-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA CCSc1nnc(NC(=O)c2sc3cc(C)ccc3c2Cl)s1 997929 OMBGZSJONZFBBM-UHFFFAOYSA-N 369.924 5.079 0 50 FKAA Cc1cccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)c1 1219013 KEZCKNAWIVCNKC-UHFFFAOYSA-N 368.392 5.802 0 50 FKAA COc1ccc(-c2ccc(-c3nc(-c4ccccc4Cl)no3)cc2)cc1 2058486 SDWGSZQOZMXEME-UHFFFAOYSA-N 362.816 5.733 0 50 FKAA CC[C@]1(C)C[C@@](CCNCc2ccccc2)(c2ccc(C)cc2)CCO1 4094011 ZIRNGNXKDWRMQW-RPWUZVMVSA-N 351.534 5.392 0 50 FKAA biogenic O=C(COc1ccccc1)c1cn(Cc2ccccc2F)c2ccccc12 4711768 LRTNMKNWUZIKLD-UHFFFAOYSA-N 359.400 5.090 0 50 FKAA COc1cccc([C@H](C)N(C)Cc2nc(-c3cccc(Cl)c3)oc2C)c1 12298055 KOSWAEWFLIFQKO-AWEZNQCLSA-N 370.880 5.505 0 50 FKAA Fc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1 13129806 UBGKCOUIRMYDSS-UHFFFAOYSA-N 354.388 5.222 0 50 FKAA COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C 65425648 BYUYKQYWSAYBAM-UHFFFAOYSA-N 373.456 5.187 0 50 FKAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1oc2cc(OC)ccc2c1C 91321545 CWKUNDWKCGFUOW-LJQANCHMSA-N 366.461 5.148 0 50 FKAA O=c1n(Cc2ccc(C3CCCCC3)cc2)ccn1-c1ccccc1Cl 2325864635 UQIVBVAEEGZMOO-UHFFFAOYSA-N 366.892 5.388 0 50 FKAA Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Cl)c1 707422 HPTTXYLOONTEMF-NRFANRHFSA-N 362.860 5.728 0 50 FKAA Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(-c2ccccc2O)n1 753235 MAFHJBFJJMJTSZ-UHFFFAOYSA-N 354.409 5.617 0 50 FKAA Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccsc3)C2)c(=O)o1 755211 YURAIAPXAXEXJI-KRWDZBQOSA-N 369.467 5.073 0 50 FKAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CCCc1ccccc1 1137406 KYQVHCIALSIVFW-UHFFFAOYSA-N 369.468 5.500 0 50 FKAA CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 1144103 DWCSHCOOCOVPJR-UHFFFAOYSA-N 364.301 5.564 0 50 FKAA Cc1c(Cl)ccc(NC(=O)C(c2ccccc2)c2ccccc2)c1Cl 2863158 VEFDKFVQXPJOTF-UHFFFAOYSA-N 370.279 6.072 0 50 FKAA CC(=O)Nc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 4006499 DWGQJSSCAHGCJB-QHCPKHFHSA-N 355.441 5.001 0 50 FKAA COc1ccccc1[C@@H]1CN(c2ccc(F)cc2F)N=C1c1cccs1 4021559 CSXDJDQEQGACBI-HNNXBMFYSA-N 370.424 5.043 0 50 FKAA aggregator CCOC(=O)CCCCCCCCCCCCCCCCC(=O)OCC 4403542 LGGDSXPOQVDFDO-UHFFFAOYSA-N 370.574 6.354 0 50 FKAA Oc1cccc2ccc(/C=C/c3ccccc3OCc3ccccc3)nc12 4845091 IGXZYDWKAXMJOT-FYWRMAATSA-N 353.421 5.690 0 50 FKAA Clc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19323995 BUHULRAITXLXJH-UHFFFAOYSA-N 362.904 5.357 0 50 FKAA Cc1ccc(Br)cc1Cc1ccc(-c2ccc(F)cc2)s1 71973419 VLRIERSBZHUCOW-UHFFFAOYSA-N 361.279 6.216 0 50 FKAA in-vitro CC(C)c1ncc(-c2cccc(C(=O)N(C)Cc3cccs3)c2)s1 534574500 LIFTXTZJHJNQDC-UHFFFAOYSA-N 356.516 5.267 0 50 FKAA Cc1nc(NC(=O)c2ccc3ncsc3c2)cc(-c2ccccc2)c1C 1857719119 DXMFHTYEYLXKKC-UHFFFAOYSA-N 359.454 5.227 0 50 FKAA CC[C@@H](c1nc2ccccc2n1C)C(O)(c1ccccc1)c1ccccc1 753531 QJGWXTULIQZJSO-FQEVSTJZSA-N 356.469 5.003 0 50 FKAA O=Cc1cn(-c2nc(-c3ccc(Cl)cc3)cs2)nc1-c1ccccc1 1191630 JEXUQSMBCBHOAX-UHFFFAOYSA-N 365.845 5.129 0 50 FKAA CCCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCCC)cc2)cc1 2745191 KKTFBNGFPUBARR-UHFFFAOYSA-N 368.477 5.736 0 50 FKAA CCCCOC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 2951706 KNBMFAYSONIOHX-UHFFFAOYSA-N 366.244 5.203 0 50 FKAA COc1ccc(C(C(Cl)=C(Cl)Cl)c2ccc(OC)cc2)cc1 3075516 FNNIWWSKAJABJE-UHFFFAOYSA-N 357.664 5.721 0 50 FKAA CCCCc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 4551101 CPDOHTRSPRQHOI-UHFFFAOYSA-N 362.498 5.309 0 50 FKAA c1ccc(C2CCC(N3CCC(N4CCc5ccccc5C4)CC3)CC2)cc1 4744598 XQEJZONKCRZWJS-UHFFFAOYSA-N 374.572 5.236 0 50 FKAA CC1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)CC1 4998521 CATIVUJDNYIZAA-UHFFFAOYSA-N 366.505 5.064 0 50 FKAA CC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1 12380057 SJVFPFIWRNNFQP-UHFFFAOYSA-N 364.876 5.748 0 50 FKAA CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 245229494 ZEZHPTYTCOOIMP-SVPADUAOSA-N 354.534 6.071 0 50 FKAA COc1ccc(C2=N[C@H](c3ccccc3Cl)N3[C@H]2[C@H]3c2ccccc2)cc1 254798434 MVWBXWFFHHOXPU-FOMDFCNTSA-N 374.871 5.276 0 50 FKAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@@]12C 257348160 BUIQHUBDLNDWCY-NIPLRTIXSA-N 354.481 5.596 0 50 FKAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(C)C)c1 1049040 TVDGWRDKCVHQKG-UHFFFAOYSA-N 352.478 5.437 0 50 FKAA Fc1ccccc1-c1nc(Oc2ccc(Cl)cc2)c2ccccc2n1 1115924 QBFVUYNQEWGFII-UHFFFAOYSA-N 350.780 5.882 0 50 FKAA CC[C@@H](NC(=O)c1csc2c1CC[C@@H](C)C2)c1ccc(C(C)C)cc1 2801142 JCCRYUMJRSNVLM-FOIQADDNSA-N 355.547 5.877 0 50 FKAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CNc1ccc(F)cc1 2928729 WSFZEELSRTYWFS-UHFFFAOYSA-N 361.416 6.168 0 50 FKAA CCCCN(CCCC)C(=O)CCCCC(=O)N(CCCC)CCCC 4903982 QVQZFDVPVBBFAT-UHFFFAOYSA-N 368.606 5.404 0 50 FKAA Cc1ccccc1-c1nc(CN2CCOc3ccc(Cl)cc3C2)c(C)o1 55255295 FKGIDXKDWFWTMB-UHFFFAOYSA-N 368.864 5.006 0 50 FKAA CCC[C@@H](O)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1 72439861 CNAFDMDVDSBZCC-OAQYLSRUSA-N 372.472 5.071 0 50 FKAA COc1cccc(NC(=O)[C@H](Sc2ccc(C)cc2)c2ccccc2)c1 253415587 BFZCFOGZSXAESM-OAQYLSRUSA-N 363.482 5.476 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(C)[C@@H]3CC[C@@]12C 256990240 YWHWYTRNKBGSRE-XUACHYEOSA-N 370.665 8.418 0 50 FKAA O=C1CC[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccccc1 334163571 XMACRNIJCBXPGH-QFIPXVFZSA-N 366.464 5.699 0 50 FKAA COc1ccc(-c2nc(=S)c3c(n2Cc2ccccc2)CCCC3)cc1 729825 HNPYVWDUTKSRGR-UHFFFAOYSA-N 362.498 5.215 0 50 FKAA CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1cccc(F)c1 1070783 YFPPBUZUHYHQJN-UHFFFAOYSA-N 363.603 5.101 0 50 FKAA Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 1108921 FFJLLMHCJXJURF-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1ccccc1 1149002 OKQZJGDTPPJUNE-HNNXBMFYSA-N 351.833 5.413 0 50 FKAA Oc1c(-c2ccccc2)cc(-c2ccccc2)c(Cl)c1-c1ccccc1 2166032 MPMXYZJXGPCSMW-UHFFFAOYSA-N 356.852 7.047 0 50 FKAA CC(C)c1c(-c2ccc(F)cc2)sc(-c2ccc(F)cc2)c1C(C)C 3107500 HNVLGRVBEIRSIR-UHFFFAOYSA-N 356.481 7.607 0 50 FKAA CCc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542173 VUGAVQSYKICBRW-WYMLVPIESA-N 351.833 5.814 0 50 FKAA CC[C@@H](C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1 4809018 BMKLKKZBRGUGJN-GOSISDBHSA-N 373.412 5.129 0 50 FKAA CC[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@@H]21 16134033 VHGFKDSDGGXKQI-CFKFVRPNSA-N 350.502 5.772 0 50 FKAA FC(F)Oc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)cc1 20605793 FYFJWQVCXINVRQ-UHFFFAOYSA-N 370.277 5.387 0 50 FKAA c1cncc(CN(Cc2ccsc2)Cc2ccc([C@@H]3CCCCO3)o2)c1 55153838 MSWLTVBUGWJMOY-FQEVSTJZSA-N 368.502 5.180 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1C[C@H]1c1cccs1 1857798762 AFKORGWLKDUVRO-HZPDHXFCSA-N 360.438 5.299 0 50 FKAA O=C(CC(c1ccccc1)c1ccccc1)NC1C2CC3CC(C2)CC1C3 1120718 MPIDOZDTIKYBSY-UHFFFAOYSA-N 359.513 5.150 0 50 FKAA COc1ccccc1CNC(=O)N1c2ccccc2Sc2ccccc21 1151270 PDQHJNUYPJFGAW-UHFFFAOYSA-N 362.454 5.208 0 50 FKAA Cc1ccc(NC(=O)Nc2nnc(CSc3ccc(C)cc3)s2)cc1 1251943 NSSYFXKVYRIQGY-UHFFFAOYSA-N 370.503 5.091 0 50 FKAA CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 2867205 WKRYMZUUQVYKSH-UHFFFAOYSA-N 371.440 5.271 0 50 FKAA COc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1Cl 2879236 ORVONBWPAHVFBE-UHFFFAOYSA-N 374.264 5.013 0 50 FKAA CCCCOc1ccc(CNc2cc(-c3ccccc3)ccc2OC)cc1 2894045 XYGICQVJTGLNNW-UHFFFAOYSA-N 361.485 6.153 0 50 FKAA O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)C1CCCCC1 2970073 DIEKVGIZVRILJW-UHFFFAOYSA-N 354.837 5.667 0 50 FKAA c1ccc(CCN2CCC(NC(c3ccccc3)c3ccccc3)CC2)cc1 4022838 ODRLWFQCDUTMIO-UHFFFAOYSA-N 370.540 5.073 0 50 FKAA Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1 4502312 TXOBGMSBFQUGCL-NRFANRHFSA-N 350.824 5.835 0 50 FKAA O=C(CCNc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 4706905 KPHDPGSBWCXDEB-UHFFFAOYSA-N 351.833 5.817 0 50 FKAA Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nc2c1 4755399 XOTWDMZJIKZWEO-UHFFFAOYSA-N 355.441 5.407 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3cccc(CC)c23)c2ccccc21 71746323 FRVNYZYXZMSTJD-UHFFFAOYSA-N 369.508 6.778 0 50 FKAA in-vitro Cc1cc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)ccc1Cl 1875296567 DJUHQZKNAOTKGX-INIZCTEOSA-N 365.860 5.196 0 50 FKAA CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2F)cc1 656319 VAQFUVXJFOOQIV-BJMVGYQFSA-N 362.242 5.364 0 50 FKAA O=C(Nc1cccc(Cl)c1)[C@H](Sc1ccccc1)c1ccccc1 671577 YJPXGUUIPMRMOX-LJQANCHMSA-N 353.874 5.812 0 50 FKAA Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)o1 755713 YSXDLANDMVXMIR-KRWDZBQOSA-N 369.467 5.073 0 50 FKAA COc1cccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)c1 828377 CUOBWTUYPBFNMO-JTSKRJEESA-N 372.468 5.287 0 50 FKAA O=C(CCc1ccccc1)Nc1ccc(Br)c2ccccc12 1149191 LYIOMOGFKQNNIR-UHFFFAOYSA-N 354.247 5.174 0 50 FKAA C[C@H]1c2c(c(-c3ccccc3)c3ccccc3c2-c2ccccc2)S1(=O)=O 1711486 ZPMHRKJRXGXDAX-INIZCTEOSA-N 370.473 6.022 0 50 FKAA CC[C@@H](C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 2826593 CPLDHXUZWCUBQQ-MRXNPFEDSA-N 374.509 7.035 0 50 FKAA O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCCCCC1 2867711 UJNMLAWAMLTLRL-UHFFFAOYSA-N 364.876 5.571 0 50 FKAA O=c1c(-c2cccc3ccccc23)c(C(F)(F)F)oc2cc(O)ccc12 5528461 ZDCZVPAWKQQXKJ-UHFFFAOYSA-N 356.299 5.338 0 50 FKAA biogenic CCC[C@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 6871087 BKDGODYPOAQQBG-FPOVZHCZSA-N 370.880 5.408 0 50 FKAA CC(C)=CC[C@@](C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1 43762748 ITQHHPDCFLJGHC-NQRVTCLYSA-N 356.550 6.305 0 50 FKAA Cc1ccc([C@]2(CCN[C@H](C)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 101926622 CGUCFXKLVWDOLG-KJXAQDMKSA-N 371.590 5.870 0 50 FKAA C[Si](C)(C)[C@]1(C(=O)c2ccccc2)CC1(c1ccccc1)c1ccccc1 169828947 QLTGMIJZIIWKNX-VWLOTQADSA-N 370.568 6.338 0 50 FKAA CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C)cc3)cc2)CC1 245189248 GTJATSCGEHUKEH-MEMLXQNLSA-N 364.529 7.068 0 50 FKAA Cc1ccc(-c2ncc(CN3CCCN(C)c4ccccc43)s2)cc1C 1875343953 ZIZPCHYDOSFEPN-UHFFFAOYSA-N 363.530 5.273 0 50 FKAA O=C(CSCc1c(Cl)ccc(Cl)c1Cl)Nc1ccccc1 941406 NYSFUEAMTPHYIS-UHFFFAOYSA-N 360.693 5.519 0 50 FKAA Cc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c(C)c1 1746858 APHPNRAIBPDPCS-UHFFFAOYSA-N 359.860 6.311 0 50 FKAA Cc1c(Cl)cccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 2771343 WSBKRQUYASZWBI-UHFFFAOYSA-N 372.679 5.753 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc(Cl)c2)o1 2980793 WLQKCFHGJJHBJR-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA CCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2982724 SJPURJZLCTWUIH-UHFFFAOYSA-N 357.759 5.400 0 50 FKAA CC[C@H](C)c1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1 5949851 RMPNEASBZUDPGV-IBGZPJMESA-N 357.497 6.552 0 50 FKAA CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1C 6961576 NIWJYHFHTABPHA-UHFFFAOYSA-N 357.910 5.143 0 50 FKAA Cc1ccc(-c2ccccc2CN[C@H](C)c2cnn(-c3ccccc3)c2C)o1 12459156 OYDBGGNDSNPHAG-GOSISDBHSA-N 371.484 5.600 0 50 FKAA Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2C(F)(F)F)cc1C 17073039 PEGJCWVOHUETJI-CYBMUJFWSA-N 352.425 5.370 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)s1 20615211 RJEAIUUBQNSVOY-UHFFFAOYSA-N 367.446 5.010 0 50 FKAA COc1cc(NC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)cc(OC)c1 35561755 NPPXEDJNJPJEOX-NRFANRHFSA-N 368.477 5.161 0 50 FKAA COc1ccc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1 100653510 HXUXYRJTNVKJTO-HSZRJFAPSA-N 371.461 5.946 0 50 FKAA CCOC(=O)c1ccc2c(c1)[C@](C)(c1ccc(Cl)cc1)CC(C)(C)N2 1857526041 CDNMPPORUGSFOI-NRFANRHFSA-N 357.881 5.417 0 50 FKAA CCOc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1 995187 YPLOXASDGVHTDP-UHFFFAOYSA-N 374.484 5.173 0 50 FKAA Cc1ccc2nc(-c3cccc(NC(=O)COc4ccccc4)c3C)oc2c1 1212300 JERCQYOWTZIVGT-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA O=C(/C=C/c1ccccc1)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 1778885 OABHDNWMBXCOOQ-SDNWHVSQSA-N 368.388 5.079 0 50 FKAA biogenic CCCCc1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 2544910 WTOAEQYJLQUHFU-UHFFFAOYSA-N 358.485 5.709 0 50 FKAA Cc1ccc(OCCCCn2c3ccccc3c3ccccc32)c(Cl)c1 2992135 SRRLCGLPBZYBLX-UHFFFAOYSA-N 363.888 6.616 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1C1(CCCCC1)O2 4715943 OLPYYYJSNDRDOA-INIZCTEOSA-N 358.894 5.605 0 50 FKAA Cc1ccsc1-c1cccc(C(=O)N2CCC(COC(C)C)CC2)c1 299780290 UMZOFGOLHQXKGL-UHFFFAOYSA-N 357.519 5.001 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1ncc(C(F)(F)F)cc1Cl 1031470 FAGQZUXQAYXYGM-UHFFFAOYSA-N 350.127 5.051 0 50 FKAA Cc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccco3)c2c1 1141027 OZZXFAPQUWHTHW-UHFFFAOYSA-N 374.415 5.181 0 50 FKAA Cc1cccc(OCC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1 1173357 HCQCCQMFGDBGMY-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA CCCCOc1ccc(OC(=O)Nc2ccccc2C(F)(F)F)cc1 2172978 BNZNKUYBBYMDDH-UHFFFAOYSA-N 353.340 5.495 0 50 FKAA C[C@@H](N[C@H]1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21)c1ccccc1 2973807 DNPTZGNAYOZYBV-CJAUYULYSA-N 366.508 6.563 0 50 FKAA CC1(C)C[C@H]([C@@H](CCNCc2ccccc2)c2ccc(F)cc2)CCO1 4093992 OYRXDALYHOEYRD-IRLDBZIGSA-N 355.497 5.294 0 50 FKAA CC(C)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 4109703 MFXKAYJHAMYTAP-UHFFFAOYSA-N 366.288 5.915 0 50 FKAA COc1ccccc1[C@@H]1C=C(c2ccccc2)Nc2nc3ccccc3n21 100949375 MRUSOAKWCXAWBU-NRFANRHFSA-N 353.425 5.101 0 50 FKAA COc1ccc(C(=O)CCCCCC(=O)N(C)[C@@H](C)c2ccccc2)cc1 170608143 ATAUMJWQXFFTFP-SFHVURJKSA-N 367.489 5.048 0 50 FKAA FC(F)(F)c1ccc(C2=N[C@H](c3ccccc3)[C@H](c3ccccc3)O2)nc1 1857775602 QFLUMJQUCAPCRJ-MOPGFXCFSA-N 368.358 5.360 0 50 FKAA CCC(=O)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl 1065197 LWJQQZOFWJXYFG-UHFFFAOYSA-N 351.258 5.619 0 50 FKAA COc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 1122071 NEQSXSIJBVBPJK-UHFFFAOYSA-N 364.401 5.140 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 1167363 QWBYDZRXNJFZDL-CJLVFECKSA-N 357.453 5.491 0 50 FKAA O=C(Nc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1)c1ccco1 2867202 UYVYTUNIMUVWNT-UHFFFAOYSA-N 354.365 5.493 0 50 FKAA CCCCNCCCCOc1ccc2ccccc2c1Br 3003063 IVHDJFMTPZDCQW-UHFFFAOYSA-N 350.300 5.151 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](C1CCCCC1)O2 5716148 JVFAABOFNYBFJP-YLJYHZDGSA-N 356.853 5.383 0 50 FKAA O=C(C1=CCCC1)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc23)C1 15067607 PKSRRVVYPKILAF-LJQANCHMSA-N 371.484 5.046 0 50 FKAA CCSCCN(C(=O)c1[nH]c2ccc(C)cc2c1C)C1CCCCC1 91915431 ASTHBRUINLKGIE-UHFFFAOYSA-N 358.551 5.313 0 50 FKAA Cc1ccc(-c2cccc(CN[C@@H](c3ccccc3)[C@H](O)C(C)C)c2)cc1 1875317283 TVTIQGVFIVPUOI-LOSJGSFVSA-N 359.513 5.510 0 50 FKAA O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)N[C@H]1C[C@H](c2ccccc2)C1 2325866182 CPDUCSYKFBUSJX-MMKMLUHNSA-N 368.908 5.222 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1C(F)(F)F 826641 ODILXTQDORQEFB-SKDRFNHKSA-N 352.183 5.235 0 50 FKAA CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(F)cc1 1186240 PMAUIIGONIBOOI-UHFFFAOYSA-N 370.449 5.163 0 50 FKAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1[C@H](C)CCC[C@H]1C 1200594 RHXIAGBJGOVMSO-GHMZBOCLSA-N 367.276 5.360 0 50 FKAA COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCCCC3)n2)cc1 1230171 MSVFKMHTNKBPAI-UHFFFAOYSA-N 359.473 5.118 0 50 FKAA Cc1c(Cl)cccc1NC(=O)Oc1ccccc1Cc1ccccc1 1741563 KEZPXLABBZCWMF-UHFFFAOYSA-N 351.833 5.850 0 50 FKAA COc1ccc(C(C)(C)C)cc1NC(=S)NCc1ccc(Cl)cc1 2850989 NNFLUCSJPXBKOS-UHFFFAOYSA-N 362.926 5.133 0 50 FKAA CC(=O)c1cccc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)c1 2858179 DCZMFPRYOCRFJA-UHFFFAOYSA-N 373.692 5.658 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)c(Cl)c3)ccc21 2986246 YQFUEURBASYGJT-UHFFFAOYSA-N 362.860 6.029 0 50 FKAA CCC(=O)Oc1cccc2ccc(/C=C/c3c(F)cccc3Cl)nc12 5013658 VSHIAOOAOQZCNV-VAWYXSNFSA-N 355.796 5.513 0 50 FKAA CO[C@H](Cn1cnc(-c2ccccc2)c1-c1nccs1)c1cccs1 65526148 BDORYNPPXGLILB-OAHLLOKOSA-N 367.499 5.123 0 50 FKAA CC(C)n1ccnc1[C@@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 95366051 DGIYDWWAQLOKMN-OAHLLOKOSA-N 369.406 5.002 0 50 FKAA CCc1cccc(N(C(=O)C[C@@H]2CCCC[C@H]2C)[C@H]2C[C@H]3CC[C@H]2C3)c1 2325817720 PTOFXDBRRWUWNF-JJSQAQTOSA-N 353.550 5.987 0 50 FKAA COc1cc(C)c(C[C@@H](C)N[C@@H](C)c2cccc(C3CC3)c2)cc1OC 2325829236 CRYDICBACFPFQN-SJORKVTESA-N 353.506 5.171 0 50 FKAA CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 678086 MRISYAHPACKJKG-UHFFFAOYSA-N 364.470 5.376 0 50 FKAA Nc1ccc(-c2nc3cc4nc(-c5ccc(N)cc5)sc4cc3s2)cc1 838079 CODPIFXGOOCVHP-UHFFFAOYSA-N 374.494 5.404 0 50 FKAA O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1csc2c1CCCC2 1453209 UUGJWHVPIWXAGI-UHFFFAOYSA-N 372.490 5.066 0 50 FKAA CCc1ccccc1-n1c([C@@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]c1=S 2791811 GBHGJCGJWKLHCP-JKSUJKDBSA-N 355.894 5.417 0 50 FKAA CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccco1)Cc1cccs1 2867450 KWCWGNALNVTDCS-LJQANCHMSA-N 357.450 5.051 0 50 FKAA Cc1nc(NC(=O)c2ccc(-c3cc[nH]n3)cc2)cc(-c2ccccc2)c1C 1857721241 GJCRYWNZKWRVDY-UHFFFAOYSA-N 368.440 5.008 0 50 FKAA COc1ccc(Cc2nc3ccccc3n2CCOc2cccc(C)c2)cc1 1129249 RKZSDUKNJJLJJM-UHFFFAOYSA-N 372.468 5.023 0 50 FKAA O=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)c1cccs1 1197096 LWDUSLLSGWQBRC-UHFFFAOYSA-N 364.253 6.100 0 50 FKAA Cc1c(OC(=O)C2CCCCC2)ccc2c(-c3ccccc3)cc(=O)oc12 1902735 JSFHZANFXMHSNT-UHFFFAOYSA-N 362.425 5.254 0 50 FKAA Cc1ccc(-n2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)cc1 2068838 HJPKFJGFEBXQMZ-UHFFFAOYSA-N 352.528 6.213 0 50 FKAA Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 12080482 JTOGDMHNTGWQLL-FXAWDEMLSA-N 350.418 5.130 0 50 FKAA CC(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 15010109 SQWJVQJWWMEGJG-WQRHYEAKSA-N 355.434 5.186 0 50 FKAA COc1cccc2c1O[C@@H](c1ccc(C)cc1)N1N=C(c3ccccc3)C[C@H]21 100738512 QYKNDUBYLRKELT-QPPBQGQZSA-N 370.452 5.246 0 50 FKAA CCOc1ccc([C@@H](C)N(C)C(=O)c2cccc(-c3cc(C)ccn3)c2)cc1 426662255 NXROJWHEPYLPQY-GOSISDBHSA-N 374.484 5.289 0 50 FKAA O=C(Nc1ccc2ccccc2c1)N(Cc1ccccc1)c1ccccc1 755520 DFQDXWHNAIRWOP-UHFFFAOYSA-N 352.437 6.079 0 50 FKAA COc1ccccc1C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C 869154 XLVZJSWQXQBNMM-LAUBAEHRSA-N 372.468 5.287 0 50 FKAA CCOc1ccc(Cl)cc1[C@@H]1CC(=O)Nc2c1ccc1ccccc21 1070395 MUNYTTANROKVOP-QGZVFWFLSA-N 351.833 5.366 0 50 FKAA Cc1cccn2cc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nc12 1111461 PSNFRYSRNREYKP-UHFFFAOYSA-N 361.832 5.215 0 50 FKAA CCOc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 1151696 CAEJDUVXGGUKGY-CYBMUJFWSA-N 372.534 5.132 0 50 FKAA Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 1161022 SIZIWPMGSSLHQJ-UHFFFAOYSA-N 359.376 5.476 0 50 FKAA COc1c(Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 1208175 VHPKMLWKBQLJPK-UHFFFAOYSA-N 364.150 5.273 0 50 FKAA Cc1ccc(S[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)cc1 2570984 VUQMMHIDUHPXGY-LJQANCHMSA-N 356.487 5.111 0 50 FKAA O=C(Nc1ccccc1Oc1ccccc1)Nc1cccc2ccccc12 2763080 JTSAVCYJDNCNPF-UHFFFAOYSA-N 354.409 6.276 0 50 FKAA CC(C)(C)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 2860066 WTCALBUCSSPMRO-UHFFFAOYSA-N 353.245 5.275 0 50 FKAA O=C(c1ccccc1F)c1cn(CCOc2ccccc2)c2ccccc12 2879156 DIFVOAHCODCPDP-UHFFFAOYSA-N 359.400 5.090 0 50 FKAA C[C@H](C1c2ccccc2-c2ccccc21)C1(C)c2ccccc2-c2ccccc21 3136965 SSXFYGIQXPNNRW-LJQANCHMSA-N 372.511 7.422 0 50 FKAA Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1Cl 4673406 YEEPKPDKIQPNND-FQEVSTJZSA-N 367.901 6.121 0 50 FKAA Cc1ccccc1CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C 13325435 ZFYYODMCNVZVLG-UHFFFAOYSA-N 364.301 5.390 0 50 FKAA COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)[C@H]2CCCCC2=O)cc1 22258623 ZDEUPEMTSXKICC-UXHICEINSA-N 370.876 5.465 0 50 FKAA CCC[C@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN21 25760177 GQNDDTQIWUTRIB-QUCCMNQESA-N 358.844 5.539 0 50 FKAA Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 96180548 MCKHHMMQEGAFLO-HXUWFJFHSA-N 362.477 5.364 0 50 FKAA Cc1nc(-c2cccc(NC(=O)C[C@@H](C)c3c[nH]c4ccccc34)c2)oc1C 170615768 RUWGOPXLKNPCCD-CQSZACIVSA-N 373.456 5.572 0 50 FKAA CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc3[nH]c(C)cc3c2)s1 176136262 ITDBSJVHNNBYCA-ZDUSSCGKSA-N 356.495 5.029 0 50 FKAA CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)n[nH]1 488473653 XBSJHZVKNLBUNK-LPEHRKFASA-N 359.276 5.176 0 50 FKAA Cc1cc(Cl)c(OCCCN2C[C@@H](C)C[C@H](C)C2)c(Br)c1 4913891 YAEDUFNYVDYWSJ-KBPBESRZSA-N 374.750 5.158 0 50 FKAA Cc1c([C@@H](C)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1 14964951 CPNBGWGEWIEKPH-CQSZACIVSA-N 359.395 5.050 0 50 FKAA Clc1cccc(Cl)c1/C(=C/n1cncn1)OC1CCCCCC1 26282536 STCVFKBRXOEQRF-YBEGLDIGSA-N 352.265 5.280 0 50 FKAA in-vitro C[C@@H](CSc1ccccc1)NCCC(c1ccccc1)c1ccccc1 44519929 CXNOCTNDPSGIJB-FQEVSTJZSA-N 361.554 5.979 0 50 FKAA CC(C)(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 254290556 MENHVRZEYBHNIS-TZAANYRRSA-N 374.565 5.556 0 50 FKAA COc1ccc([C@H](NC(=O)[C@H](c2ccccc2)C(C)C)c2ccccc2)cc1 633217 MMYNWUYBPRBIRS-BJKOFHAPSA-N 373.496 5.341 0 50 FKAA Cc1ccc(C(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)cc1C 992893 CPVHOQKDHKIIQL-HXUWFJFHSA-N 350.439 5.146 0 50 FKAA Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)c1cccs1 1077337 XHZMPZQRAZKSBB-ZDUSSCGKSA-N 358.513 5.171 0 50 FKAA CCOc1ccccc1NC(=O)c1cc(Cl)c(OCC)c(Cl)c1 1122760 KSMJOZVPLGEUSA-UHFFFAOYSA-N 354.233 5.043 0 50 FKAA Cc1ccc(Cl)cc1N[P@@](C)(=O)Oc1ccc(C(C)(C)C)cc1 1232641 YCSXUSPJTRIFIP-QHCPKHFHSA-N 351.814 6.260 0 50 FKAA CCOc1ccc2[nH]c(SCC(=O)c3ccc4ccccc4c3)nc2c1 2805567 UWTDAFKVSDKNLF-UHFFFAOYSA-N 362.454 5.090 0 50 FKAA CCc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 2864431 XCEIDXSHGDRKHF-UHFFFAOYSA-N 361.510 6.102 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)cc1 2890142 FLMWCNMUFVMVER-UHFFFAOYSA-N 369.436 5.818 0 50 FKAA Clc1c(Cl)c(Cl)c(Br)c(Br)c1Cl 3123638 PQOCMOTZTWVPTQ-UHFFFAOYSA-N 373.686 5.825 0 50 FKAA in-vitro C1C2CC3CC1CC(c1nnc(C45CC6CC(CC(C6)C4)C5)s1)(C2)C3 4644864 GWPHOCVCENPQIS-UHFFFAOYSA-N 354.563 5.474 0 50 FKAA O=C(Nc1ccccc1OC(F)F)c1ccc(OCc2ccccc2)cc1 5059595 FLFPPPWFYWHZDP-UHFFFAOYSA-N 369.367 5.119 0 50 FKAA Cc1ccc(-c2c[n+]3c(n2-c2ccc(SC(F)F)cc2)CCC3)cc1 5570994 KNLGYMCYJUPSES-UHFFFAOYSA-N 357.449 5.001 0 50 FKAA c1ccc(-c2c[nH]nc2C2CCN(Cc3ccc4ncccc4c3)CC2)cc1 19145098 KQRMGRNOJQJYTP-UHFFFAOYSA-N 368.484 5.005 0 50 FKAA ClC1(Cl)[C@H]2CC[C@@H]3[C@H]([C@H]4[C@@H]([C@H]21)C4(Cl)Cl)C3(Cl)Cl 71786880 VDHAFIAZVOLNER-CBUHOJLWSA-N 354.919 5.040 0 50 FKAA CCCC1CCC(N(C(=O)c2csc([C@H]3CCCO3)n2)C(C)C)CC1 120540542 APVGXCGKESGWSC-LEOMRAHMSA-N 364.555 5.204 0 50 FKAA FC(F)(F)c1ccc(Oc2ccc(Cl)cc2Br)nc1 1141066 VVEINCRMDZUXCG-UHFFFAOYSA-N 352.537 5.309 0 50 FKAA COc1ccc([C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 1177115 XJTPZZWMGHRWQH-HXUWFJFHSA-N 366.848 5.260 0 50 FKAA O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(Cl)ccc1O 1177552 NFHKJLHBEIGACR-UHFFFAOYSA-N 359.853 5.111 0 50 FKAA Fc1ccc(Nc2nc(/C=C/c3ccccc3)nc3ccccc23)cc1F 4700901 PTQWEFLWEHZGJQ-JLHYYAGUSA-N 359.379 5.822 0 50 FKAA Cc1ccccc1-c1nc(-c2cccc(NC(=O)c3cccs3)c2)no1 6701787 LKDNCRGGHVGNRL-UHFFFAOYSA-N 361.426 5.026 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 101343535 AQYWHUJCPVLQLO-ZFILCQGISA-N 371.524 5.414 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1ccc(C)o1 169794610 OTMIHZHASCPXNT-UHFFFAOYSA-N 371.153 5.644 0 50 FKAA CCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 248249340 RSEPBGGWRJCQGY-XARADAHVSA-N 356.506 5.350 0 50 FKAA CCSc1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1 1857800881 ZIMCUENRBXJWJC-UHFFFAOYSA-N 352.459 5.323 0 50 FKAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1Cl 1149555 HGDYOXUZWOLROM-UHFFFAOYSA-N 365.191 5.348 0 50 FKAA c1ccc(C2(c3ccccc3)O[C@H](c3ccco3)Nc3ccccc32)cc1 5336346 DCZHJBLDUSQNDJ-HSZRJFAPSA-N 353.421 5.712 0 50 FKAA Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccco3)cc(C(F)F)c12 20603928 INPUHXRDPSUMBE-UHFFFAOYSA-N 373.790 5.639 0 50 FKAA Cc1ccc(-c2noc([C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 225572474 QMUVZWMFDGSWLW-YOEHRIQHSA-N 358.800 5.083 0 50 FKAA CC[C@@H](C)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 728429 POPXORMCWWXAHA-CYBMUJFWSA-N 368.864 6.069 0 50 FKAA O=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 954521 PWVKPFOSNRCOIU-UHFFFAOYSA-N 360.034 5.147 0 50 FKAA O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1cccc(O)c1 1233573 XQIWZXRRHVGAAK-UHFFFAOYSA-N 365.388 5.013 0 50 FKAA Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccs4)c3)oc2cc1C 2979964 WKRNPSGFINFHQA-UHFFFAOYSA-N 362.454 5.734 0 50 FKAA Cc1sc(NC(=O)c2ccc(F)cc2)nc1C12CC3CC(CC(C3)C1)C2 4031048 IVUPYYRQGGSRJX-UHFFFAOYSA-N 370.493 5.311 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4529777 MZWRIOUCMXPLKV-SOHDRNMZSA-N 356.506 5.006 0 50 FKAA biogenic O=C(CSc1ccc2ccccc2c1)Nc1c(Cl)cccc1Cl 4840901 YBGPORNICDTQBG-UHFFFAOYSA-N 362.281 5.877 0 50 FKAA COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 5671292 CCEMWVCESFFVSW-REWPJTCUSA-N 374.415 5.077 0 50 FKAA CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(C)cc2)s1 8769488 QWNNOJUGYHGZQI-MRXNPFEDSA-N 352.463 5.032 0 50 FKAA Cc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c(C)c1 13482775 WVFCDXUZPLZEQW-UHFFFAOYSA-N 374.553 5.812 0 50 FKAA aggregator C[C@@H](NC(=O)Nc1cccc(Br)c1)c1ccc(Cl)s1 13745056 IZHWZMOWXMBLJT-MRVPVSSYSA-N 359.676 5.047 0 50 FKAA COc1ccccc1NC(=O)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1 22064911 LJNCXULWEUBNFE-UHFFFAOYSA-N 373.452 5.104 0 50 FKAA CC(C)C1CCC([C@@](C)(O)CNCc2ccc(F)c3ccccc23)CC1 2325842049 NCDLUWPVBMBZEJ-WFHLNLCJSA-N 357.513 5.282 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1C 671633 WAIVQYRNQAWONM-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CCCCCC2 689031 ACGZKTJLUNTQEW-UHFFFAOYSA-N 372.490 5.146 0 50 FKAA Cc1ccnc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c1 994984 JTGTYKFRLNILNW-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA Cc1c(C(=O)OC2CCCCCC2)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 1059459 QRCQRJYAIFZJQU-QGZVFWFLSA-N 365.473 5.115 0 50 FKAA Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 1886737 XYDNMLQMEPGWCQ-UHFFFAOYSA-N 352.261 5.408 0 50 FKAA O=C(CSc1nc2ccccc2[nH]1)n1c2ccccc2c2ccccc21 2298580 SGEJQEJZADKBOJ-UHFFFAOYSA-N 357.438 5.103 0 50 FKAA Cc1ccc2c(Cl)c(-c3nnc(-c4ccc(Cl)cc4)o3)sc2c1 2753523 DKWILQAAVMSJBM-UHFFFAOYSA-N 361.253 6.234 0 50 FKAA Cc1cc(O[C@H](C)c2ccccc2)c2c(-c3ccccc3)cc(=O)oc2c1 2812024 WVKRQRKKXLPVRR-QGZVFWFLSA-N 356.421 5.908 0 50 FKAA COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)c1ccccc1n3C)OCC2 4710789 NORUPASHEHOSCC-DEOSSOPVSA-N 373.452 5.011 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCCCC2)cc1 4715947 VFCZMFYOHRRVON-IBGZPJMESA-N 370.855 5.683 0 50 FKAA CCC(C)(C)C1CCC(NC(=S)Nc2cccc3ccccc23)CC1 17073388 GHPZTGRVENJWIU-UHFFFAOYSA-N 354.563 6.121 0 50 FKAA CCC(C)(C)C1CCC(NC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 17076416 PVYILYQKBXWYAU-UHFFFAOYSA-N 373.393 6.275 0 50 FKAA CC(=O)N1CCC(n2cnc(-c3ccccc3)c2-c2ccc(C)c(C)c2)CC1 65508718 ANTKXZLXDBFDAJ-UHFFFAOYSA-N 373.500 5.017 0 50 FKAA ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CCCCC[C@@H]3[C@@]1(Cl)C2(Cl)Cl 104262995 HQYVDLQNJILNTR-SSDHTEECSA-N 368.946 6.028 0 50 FKAA CC[C@@H]1CCC[C@@H]1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 225420509 NAFUUTRIHBLRER-HFAKWTLXSA-N 354.281 5.273 0 50 FKAA COc1ccc(COc2cc(C)cc3oc(=O)cc(-c4ccccc4)c23)cc1 622180 XNFXQZPDIWMIBX-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA biogenic O=C(Nc1cc(F)c(F)cc1Cl)Nc1ccccc1C(F)(F)F 828948 JYKUQDFFUAGRST-UHFFFAOYSA-N 350.674 5.281 0 50 FKAA CSc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 1131254 WZYLZHYYFFPTML-UHFFFAOYSA-N 372.342 5.587 0 50 FKAA CCC(=O)Oc1cccc2ccc(/C=C/c3ccc(Cl)cc3Cl)nc12 4914047 NPJYUAGJALQJHJ-JXMROGBWSA-N 372.251 6.027 0 50 FKAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 6274820 ZPBADUMYLROSHU-FYYLOGMGSA-N 358.416 5.376 0 50 FKAA FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2onc(C3CC3)c12 20605777 HRUVOSADSBUIFB-UHFFFAOYSA-N 354.331 5.939 0 50 FKAA CC1(C)CCCC2=C1CC(C)(C)[C@@H](Nc1cccc(C(F)(F)F)c1)C2 22017452 IPJGIIMWVQTMFD-SFHVURJKSA-N 351.456 6.813 0 50 FKAA COc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 35561678 RDFMWLAFVYIHOT-SFHVURJKSA-N 358.869 5.498 0 50 FKAA CC(C)CCC[C@@H](C)CCc1ccc(CC[C@H](C)CCCC(C)C)cc1 57989205 XTDSXTPHPOPBPO-DNQXCXABSA-N 358.654 8.477 0 50 FKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 756350 HTAJSOXGEBLEAZ-AVRDEDQJSA-N 356.469 5.208 0 50 FKAA O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc2ccccc2c1 1167920 QTIGMBLVFNJNLQ-UHFFFAOYSA-N 372.449 5.406 0 50 FKAA Cc1cc2c(o1)-c1c(oc3ccc(Cl)cc13)CC[C@@]2(C)c1ccccc1 1790061 CGECLQBCSRMVSY-QHCPKHFHSA-N 362.856 6.907 0 50 FKAA biogenic O=c1[nH]c(SCc2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 2197028 RVKNNZBAEJTCSR-UHFFFAOYSA-N 374.509 5.097 0 50 FKAA biogenic CN1[C@H](c2ccccc2)CC(O)(Cc2ccccc2)C[C@H]1c1ccccc1 2472766 AOWOYGJULXOSNG-ZEQRLZLVSA-N 357.497 5.168 0 50 FKAA Cc1ccccc1OCCCn1cc(C(=O)C(F)(F)F)c2ccccc21 2815815 RWUGZBLWLXUFKZ-UHFFFAOYSA-N 361.363 5.164 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)Nc3ccccc3)cc(-c3cccnc3)nc12 2867484 LYABJBGNHQQGQR-UHFFFAOYSA-N 373.843 5.511 0 50 FKAA Cc1cc(Cl)cc(Cl)c1OCCCOc1cccc2cccnc12 2991314 UZEGPOAOOXYIEN-UHFFFAOYSA-N 362.256 5.698 0 50 FKAA CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1 4657425 OXBGNWDZXDFSIY-UHFFFAOYSA-N 359.897 5.350 0 50 FKAA O=C(O)c1cc2ccccc2c(-c2ccc(-c3ccccc3)cc2)c1C(=O)O 5102640 UCJDVMKKEOBJJH-UHFFFAOYSA-N 368.388 5.570 0 50 FKAA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CO 5158546 YHTCXUSSQJMLQD-PSTDWBAXSA-N 358.610 7.851 0 50 FKAA in-vitro Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2ccccc2Cl)c1C 8571158 MFHMMBIXMUYYQC-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA O=C(C1CC1)N(Cc1ccc(OCc2ccccc2F)cc1)C1CCCC1 12037631 JBZFESYMBYBEHT-UHFFFAOYSA-N 367.464 5.086 0 50 FKAA N#CCc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 44371390 KZXLEMCJJXTCCC-UHFFFAOYSA-N 360.460 6.889 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1ccncc1 169745197 UNEPXPMBVGDXGH-UHFFFAOYSA-N 368.153 5.138 0 50 FKAA COc1cc(F)ccc1N[C@H](C)c1cc(F)ccc1Oc1cccc(F)c1 2325817769 VFMAVSNRMINRIH-CYBMUJFWSA-N 373.374 6.078 0 50 FKAA Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 997545 AKSIEYRSQKCVNH-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3cc(Cl)ccc3Cl)nc12 2526080 IMAWAZYPLZKRDE-UHFFFAOYSA-N 366.631 5.869 0 50 FKAA CSc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1 2818225 FHUVVTHLVPQUBZ-UHFFFAOYSA-N 360.457 6.272 0 50 FKAA Clc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 2883452 WXRMUWSJFRJDLG-UHFFFAOYSA-N 371.676 5.989 0 50 FKAA Cc1ccc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 4823473 OLGPLZUONGAPPI-UHFFFAOYSA-N 367.754 5.595 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 6680797 KIXCOVXKIPOHMD-JTHBVZDNSA-N 362.473 5.145 0 50 FKAA Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 12275971 QYNJLGCBYWQOCY-UNMCSNQZSA-N 360.844 5.582 0 50 FKAA COc1ccc(CCN(C)Cc2ccc(-c3ccccc3)cc2)cc1OC 23114760 VBDWNVLDKKYWDG-UHFFFAOYSA-N 361.485 5.045 0 50 FKAA C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257350603 YRMMDRYFJOUBOL-MACGPSBTSA-N 360.582 5.335 0 50 FKAA Cc1cnc(NC(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)s1 263588496 UWAIENJEEIOCFO-IBGZPJMESA-N 361.470 5.024 0 50 FKAA Cc1cccc(Cl)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1 640630 YQBYSMFEBKLIFW-UHFFFAOYSA-N 364.876 5.883 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc(F)cc2)o1 1064125 NKRFESRXGSACRO-UHFFFAOYSA-N 350.176 5.645 0 50 FKAA O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(Br)cc1F 1114959 MRUFFDUYEREACH-FNORWQNLSA-N 372.596 5.033 0 50 FKAA Cc1ccc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)cc2)c(C)c1 1140847 UQVCZRCDOASQCD-UHFFFAOYSA-N 359.469 5.752 0 50 FKAA COc1cc(C)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1C(C)C 1141188 YHQCLGQXGLRTKV-UHFFFAOYSA-N 373.496 5.898 0 50 FKAA CCN(CC)CCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1807496 SNXTZYJOMPIHKM-UHFFFAOYSA-N 368.912 5.094 0 50 FKAA biogenic,in-vitro C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C12CC3CC(CC(C3)C1)C2 4905316 OJQCKPMQXVIGST-UZNLNLPZSA-N 352.305 5.328 0 50 FKAA COC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 4958390 ZVXFXTVJLUNXBU-UHFFFAOYSA-N 362.494 5.275 0 50 FKAA COc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccccc2)C1=O 16671490 DFTBGHQKNWQFIT-UYRXBGFRSA-N 361.422 5.089 0 50 FKAA Cc1cc(C)c(C[C@H]2CCC[C@H](Cc3c(C)cc(C)cc3C)C2=O)c(C)c1 43199347 FSWAOKHXVWGTOA-DHIUTWEWSA-N 362.557 6.308 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1C[C@H]1c1cccs1 1857798760 AFKORGWLKDUVRO-CVEARBPZSA-N 360.438 5.299 0 50 FKAA Cc1nc2sccn2c1-c1csc(Nc2cccc(Cl)c2C)n1 643739 SRDFJNLSICCYDU-UHFFFAOYSA-N 360.895 5.533 0 50 FKAA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 838262 POVDQTFKCRJINB-OAHLLOKOSA-N 374.465 5.369 0 50 FKAA CCCCOc1ccc(NC(=S)Nc2cccc3ccccc23)cc1 3002789 JDZXDXCLXVQQQJ-UHFFFAOYSA-N 350.487 5.828 0 50 FKAA Cc1ccc(S[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)cc1 4118447 VUQMMHIDUHPXGY-IBGZPJMESA-N 356.487 5.111 0 50 FKAA Cc1cc(C)c(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)c(C)c1 4743175 HWKLYXMROYDVRA-UHFFFAOYSA-N 373.909 5.326 0 50 FKAA CC(C)COc1cccc(CN(C(=O)/C=C/c2cccc(F)c2)C2CC2)c1 14992951 ZVZHYWLTEQMKNH-FMIVXFBMSA-N 367.464 5.065 0 50 FKAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 18241740 KVCQLVLKRHUORD-ROUUACIJSA-N 371.889 5.171 0 50 FKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2Cl)[C@@H]3CCC1 22077989 JFOSOPVZAFMROV-JOCHJYFZSA-N 364.920 5.886 0 50 FKAA CCOc1ccc(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@@H]3C2)cc1 25582223 CSPXHFCMQHBXSF-UNMCSNQZSA-N 350.462 5.001 0 50 FKAA C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@@]21C 36372119 RVGVSOKFBAOUCH-OZTAXUKLSA-N 374.565 5.715 0 50 FKAA FC(F)(F)c1cccnc1Oc1ccc(CN2CCCC2)cc1Cl 67694814 DNUQWYVUWGCBHV-UHFFFAOYSA-N 356.775 5.142 0 50 FKAA COCCCN(Cc1ccc(F)cc1)Cc1ccc2cccc(Cl)c2n1 220341031 UHYKMHRWPMNJIY-UHFFFAOYSA-N 372.871 5.066 0 50 FKAA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2C(=O)Cc1ccccc1 1121974 YEYRERAZCDWFIX-UGKGYDQZSA-N 355.481 5.495 0 50 FKAA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 1144372 NQDWYPIMSOIUBF-UHFFFAOYSA-N 366.848 5.453 0 50 FKAA Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 1200048 IEJDCTHMEAXXGE-UHFFFAOYSA-N 352.437 5.771 0 50 FKAA CCOc1ccc([C@H](Nc2ccccc2)[P@@]2(=O)OCC[C@H](C)O2)cc1 3877406 ALKPVMODDDUWSR-GTQUEGJOSA-N 361.378 5.215 0 50 FKAA Cc1cc(OCC(=O)c2ccccc2)c2c(-c3ccccc3)cc(=O)oc2c1 5554524 OENCSVTVTVTQCJ-UHFFFAOYSA-N 370.404 5.030 0 50 FKAA CCC[C@H](N[C@@H](C)[C@H]1CCCCN1)c1ccc(Oc2ccccc2)cc1 2325822364 TVKVSXXHKJQNFL-NMNUPHIUSA-N 352.522 5.440 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1Br 659016 VTWDFJRCADVEKR-UHFFFAOYSA-N 370.246 5.253 0 50 FKAA O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)Cc1ccccc1-2 828953 IWQHIJCOLRKWPY-UHFFFAOYSA-N 357.434 5.374 0 50 FKAA CC(C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)N1CCCCC1 1111488 CYGXBPAVEBEMFM-UHFFFAOYSA-N 370.518 5.026 0 50 FKAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccco1 1216775 RHGIUWOEXGFRNF-ZHACJKMWSA-N 360.438 5.517 0 50 FKAA CCOC(=O)c1cnc2c(OC)cccc2c1Oc1ccc2ccccc2c1 1392832 WZCQPXDJEHJJIU-UHFFFAOYSA-N 373.408 5.366 0 50 FKAA O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12 2755558 DBXUHMHQPVCHMB-UHFFFAOYSA-N 351.449 6.001 0 50 FKAA COc1ccccc1-c1cc(C(=O)Nc2ccccc2)c2ccccc2n1 2759829 HNQHUQOBGKBQTQ-UHFFFAOYSA-N 354.409 5.163 0 50 FKAA COc1cc(NC(=O)Nc2ccccc2C(F)(F)F)c(OC)cc1Cl 2858391 FZOROUHTSHFBFC-UHFFFAOYSA-N 374.746 5.020 0 50 FKAA Cc1nn2cc(-c3cc(Cl)ccc3Cl)cc2c2c(C)n(C)c(C)c12 4751632 RAZKTFXDRBATJR-UHFFFAOYSA-N 358.272 5.725 0 50 FKAA O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2)c1 6686555 MVBYFLXHLGQOJK-UHFFFAOYSA-N 370.496 5.448 0 50 FKAA COc1ccc2cc([C@H](C)Nc3nncc(-c4ccccc4C)n3)ccc2c1 12612238 REQSZPZUQAAMTL-INIZCTEOSA-N 370.456 5.182 0 50 FKAA COc1ccc(C)cc1[C@@H]1CC(=O)[C@]2(C=C1C)C(C)=N[C@@]1(C)CCCC[C@@H]12 253471762 ZGEKFEQZCLSBIE-QOFIPBISSA-N 365.517 5.416 0 50 FKAA CC[C@H](C)Oc1ccc(-c2noc(-c3cc4cccc(F)c4o3)n2)cc1 1875335929 MELDZWNRIUYUEJ-LBPRGKRZSA-N 352.365 5.466 0 50 FKAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 651628 BZJRSPLDGRUCKJ-JTQLQIEISA-N 358.652 5.361 0 50 FKAA CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(C)=O 727448 FCSOEPXVHPDKHZ-UHFFFAOYSA-N 365.454 5.217 0 50 FKAA CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc(C)c1C 949012 UZMKNBCZLIAEGW-UHFFFAOYSA-N 364.445 5.171 0 50 FKAA Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccco4)c3)nc2c1 1053957 ONJNWXCRJQDXJW-UHFFFAOYSA-N 352.777 5.302 0 50 FKAA Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)nc2c1 1053988 IETACSKOLDKNMM-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(Br)c1 1111855 XHROMZJWZHFYSL-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA Clc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1 1155729 IJNLFHSKTLJSBK-UHFFFAOYSA-N 352.850 5.019 0 50 FKAA COc1ccccc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1155770 VUVSBULLDKOPHK-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA biogenic Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 2783745 DHSPXPWPQLBGAU-NWDGAFQWSA-N 350.171 5.159 0 50 FKAA Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)NCCc1ccccc1 2861076 SEKJOKMFJROOIY-UHFFFAOYSA-N 374.267 5.534 0 50 FKAA Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)cc1 2924542 BDECEXVPRJTPLW-UHFFFAOYSA-N 369.704 6.822 0 50 FKAA CC(C)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 13330025 FCPQQJKKUCFTRS-GFCCVEGCSA-N 372.317 5.156 0 50 FKAA c1ccc(Nc2ncc(CN3CCCC[C@@H]3c3nccs3)s2)cc1 23232197 HZSGOFQSYLBACF-MRXNPFEDSA-N 356.520 5.070 0 50 FKAA O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 95393619 MQQNWHULXLVNPX-VXKWHMMOSA-N 369.420 5.088 0 50 FKAA Brc1ccc(-c2cccc(-c3cccc4ccccc34)c2)cc1 95933666 AITBCZBEWHFDDB-UHFFFAOYSA-N 359.266 6.936 0 50 FKAA Cc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)cc1C 628703 OFTBZMMGENQGHO-UHFFFAOYSA-N 364.495 5.394 0 50 FKAA Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c(C)c1 637003 FFFPMZHQBTVAFJ-UHFFFAOYSA-N 350.270 6.077 0 50 FKAA Cc1ccc(C)c(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c1 999953 ROYGUYBYRSCBLC-UHFFFAOYSA-N 357.413 5.067 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(C(=O)OC(C)C)cc2)cc1 1119223 QLLKQXRTVJQERH-OAHLLOKOSA-N 370.518 5.574 0 50 FKAA OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl 2041041 UOAMTSKGCBMZTC-UHFFFAOYSA-N 370.490 5.600 0 50 FKAA in-vitro CCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 2175471 KWZKYMCYPAYUMC-QFIPXVFZSA-N 358.441 5.247 0 50 FKAA CC[C@@H](C)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 2519775 ZJPGYKOXSAENRK-CQSZACIVSA-N 360.295 5.648 0 50 FKAA CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(Cl)c2)C1 2558444 OUPLUKYGBHFDQS-NSHDSACASA-N 362.926 5.387 0 50 FKAA COc1c(Cl)cc(CNc2ccc(Br)cc2)cc1Cl 2846376 DIIWUVLNQSKJKL-UHFFFAOYSA-N 361.066 5.377 0 50 FKAA Cc1ccc(C(=O)NC[C@H](c2ccccc2)C2CCCCC2)cc1Cl 4761402 GYWVUDPLBLELGJ-HXUWFJFHSA-N 355.909 5.742 0 50 FKAA Clc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)c1 15068048 QZEURCPRIZAFPV-QHCPKHFHSA-N 373.887 5.364 0 50 FKAA Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)C(=O)CC1(CCCCC1)O2 828414783 PXMAKQWMGLMXJQ-UHFFFAOYSA-N 374.436 5.437 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccc(F)c1 830072 BIINVWHZWPRNKO-UHFFFAOYSA-N 364.401 5.060 0 50 FKAA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2C(=O)c1ccccc1F 1150224 RKICTQKACMXNDI-YLJYHZDGSA-N 359.444 5.705 0 50 FKAA COc1cc2c(cc1NC(=O)c1ccc3ccccc3c1)oc1ccccc12 4704981 NZDZBXBPEBOLJA-UHFFFAOYSA-N 367.404 6.000 0 50 FKAA Clc1cccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)c1 4951875 JSPHGHCWGHYBMG-NSFRLNINSA-N 358.872 6.361 0 50 FKAA CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 33753464 MHJBZVSGOZTKRH-OCOZRVBESA-N 373.496 5.360 0 50 FKAA in-vitro Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2Br)cc1 36620656 BMKZJLKDXKVLDY-KRWDZBQOSA-N 359.267 5.127 0 50 FKAA c1ccc(C[C@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 891603 MHCMSXFDLFUTKC-QGZVFWFLSA-N 352.441 5.008 0 50 FKAA Cc1cc(C)c2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 989875 MUHYPEKIMQMHDX-UHFFFAOYSA-N 351.258 5.472 0 50 FKAA O=C(Nc1ccc(F)cc1F)[C@H](Sc1ccccc1)c1ccccc1 1183022 VCIBSFYRVLUJKL-LJQANCHMSA-N 355.409 5.437 0 50 FKAA CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 1194539 IPHSWBXHBNPYOE-UHFFFAOYSA-N 358.397 5.146 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1 1208732 PDUSOTQJGRGVSS-UHFFFAOYSA-N 358.397 5.070 0 50 FKAA O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCCCC1 1214316 AAFFZJMPCGTAQD-UHFFFAOYSA-N 369.317 5.560 0 50 FKAA CCc1ccc(-c2csc(-c3cc4cccc(OC)c4oc3=O)n2)cc1 2883523 BVPYELVQQRYIHE-UHFFFAOYSA-N 363.438 5.155 0 50 FKAA COc1ccc(NC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 3680556 YQLKEMGZLVQHTN-UHFFFAOYSA-N 362.385 5.247 0 50 FKAA aggregator Cc1noc(C)c1C(=O)Nc1ccccc1Sc1ccc(Cl)cc1 5156672 CPMAOXCLWDEWMA-UHFFFAOYSA-N 358.850 5.348 0 50 FKAA c1ccc(OCCCN2CCCC[C@@H]2C2(c3ccccc3)CCCC2)cc1 96027166 SIGJRGFFKMQFIQ-XMMPIXPASA-N 363.545 5.822 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](c1cccs1)O2 100708733 IDEPVBNFQUXYFC-KSSFIOAISA-N 356.834 5.237 0 50 FKAA FC(F)(F)c1cc(Cl)cn2c(-c3c(Cl)cccc3Cl)ncc12 263639647 BXNQWMNNJCCYFH-UHFFFAOYSA-N 365.569 5.980 0 50 FKAA CC(C)CN(Cc1ccco1)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 426535729 VWSRNVHGTQPLGE-AWEZNQCLSA-N 368.399 5.227 0 50 FKAA CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 917735 QCNDNNYQNBIPNA-UHFFFAOYSA-N 364.470 5.376 0 50 FKAA CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1cccc(C(C)=O)c1 940250 VYEIECVBLPWFQR-UHFFFAOYSA-N 368.820 5.011 0 50 FKAA COC(=O)c1cccc(Nc2nc(-c3cccc(C)c3)nc3ccccc23)c1 952820 COEHBSNVFDFFCV-UHFFFAOYSA-N 369.424 5.135 0 50 FKAA CC(C)CC(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 1158784 BGINZWLDGLRQRW-UHFFFAOYSA-N 363.244 5.786 0 50 FKAA CN1c2ccc(Cl)cc2C(C)(C)[C@]12C=Nc1c(ccc3ccccc13)O2 2170295 VODQUQTUKIYWSU-JOCHJYFZSA-N 362.860 5.712 0 50 FKAA CCCCOC(=O)c1ccc(OC(=O)Nc2c(C)cccc2Cl)cc1 2173754 SYWXBJIRJKRABM-UHFFFAOYSA-N 361.825 5.216 0 50 FKAA CC[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)c1ccccc1 2399178 BNSWCVZWELDJBH-HSZRJFAPSA-N 368.436 5.337 0 50 FKAA O=C(COc1ccccc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 2979651 MBBOWBHYMCKVJD-UHFFFAOYSA-N 353.805 5.150 0 50 FKAA Cc1cccc(C)c1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4542140 MGYFUTBIOPDMGP-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA CC[C@H](NC(=S)NCc1ccc(F)cc1)c1ccc([C@H](C)CC)cc1 7073507 HJNHYGKELPSCMC-QRWLVFNGSA-N 358.526 5.455 0 50 FKAA Cc1oc(-c2ccco2)nc1COc1ccc(CN2CCCC2)cc1Cl 67954520 KOUBCAHDYNGJEP-UHFFFAOYSA-N 372.852 5.071 0 50 FKAA Cc1cc(C)c(NC(=O)C2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c(C)c1 101863697 AJTJBLIFAGTZAF-KLHDSHLOSA-N 366.332 5.406 0 50 FKAA Cc1c(-c2ccccc2)sc2nc([C@H]3CCCC(F)(F)C3)[nH]c(=O)c12 225840004 DDDAQWFNAWOMEM-ZDUSSCGKSA-N 360.429 5.253 0 50 FKAA CCOc1cccc(C(=O)Nc2ccc(-c3nc(C)sc3C)cc2)c1 1857798097 OVQMIFMWMJUBLW-UHFFFAOYSA-N 352.459 5.078 0 50 FKAA O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Nc1nccs1 951013 LBJSQCYCPHAYMD-ZZXKWVIFSA-N 365.241 5.362 0 50 FKAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)cc1 1025130 OJJNLEFFTIBJAI-UHFFFAOYSA-N 370.235 5.477 0 50 FKAA CCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(Cl)c1 1158762 DLZQFZNACAGSRA-UHFFFAOYSA-N 358.747 5.402 0 50 FKAA O=C1C(Nc2ccccc2)=C[C@H](c2ccccc2Cl)N1c1ccccc1 1199480 BUOWKURKBRAOQK-OAQYLSRUSA-N 360.844 5.424 0 50 FKAA Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 1218991 LXHQVENAYDKNBA-UHFFFAOYSA-N 374.465 5.289 0 50 FKAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1-c1ccccc1 4798025 WIUVBICWQRATSM-UHFFFAOYSA-N 364.448 5.592 0 50 FKAA C[C@H]1CC(C)(C)Cc2c1sc1[nH]c(=S)n(-c3ccccc3)c(=O)c21 5408910 FIESIEPUEWAAHT-NSHDSACASA-N 356.516 5.186 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 12404142 RPLHBVUEHBTGPI-UHFFFAOYSA-N 371.868 5.000 0 50 FKAA Cc1cc(Oc2ccc(CN[C@@H](C)C(F)(F)F)c(Cl)c2)ccc1F 1875357133 ZOGGNTHGGFUIMP-NSHDSACASA-N 361.766 5.620 0 50 FKAA O=c1c2ccccc2nc(-c2cccs2)n1-c1ccc2ccccc2c1 852983 YSLSIJXGHOYVRU-UHFFFAOYSA-N 354.434 5.267 0 50 FKAA aggregator CC[C@@H](C)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 1125147 RDNOUNXWJRRDMY-LLVKDONJSA-N 366.686 5.868 0 50 FKAA O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 1147926 MLKRIOGFBXMDDH-UHFFFAOYSA-N 367.901 5.879 0 50 FKAA O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CCCCC1 1218693 WJAMFZVSJYMDDT-UHFFFAOYSA-N 350.487 5.406 0 50 FKAA in-vitro Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1C 1886735 XQTJVUJURHSQAP-UHFFFAOYSA-N 352.261 5.408 0 50 FKAA C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(-c3ccccc3)cc21)c1ccccc1 2973809 DNPTZGNAYOZYBV-IQGLISFBSA-N 366.508 6.563 0 50 FKAA O=c1oc(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccc(Cl)cc12 4577267 XOVDDUIOEIWUMU-UHFFFAOYSA-N 365.694 5.273 0 50 FKAA C[C@H](CCc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320415 PQLPTAATJXPIKW-GFCCVEGCSA-N 370.802 5.502 0 50 FKAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1ccc(Cl)nc1Cl 170616879 GBMVDDRLZLALCY-LLVKDONJSA-N 358.338 5.470 0 50 FKAA CC1(C)C(=O)O[C@H](c2ccc(Cl)cc2Cl)C2(CCCCC2)C1=O 709421 UPPUUIBOPONOBX-CQSZACIVSA-N 355.261 5.137 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1C 995339 SFVCANWXGWDKHG-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 1208305 YYYLQCMRAYWNIB-UHFFFAOYSA-N 369.873 5.863 0 50 FKAA O=C(Nc1nnc(C2CCCCC2)s1)Nc1ccc(Cl)cc1Cl 1253692 YLDQIYOFLLTTMM-UHFFFAOYSA-N 371.293 5.537 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)N(C1CCCCC1)C1CCCCC1 1696198 NRQCWXQQMBQYGN-UHFFFAOYSA-N 369.336 6.493 0 50 FKAA Cc1ccc(-n2c(SCc3cccc(C)c3)nc3ccccc3c2=O)cc1 2258238 MBIFZLHSAMIVQG-UHFFFAOYSA-N 372.493 5.295 0 50 FKAA CCCCC(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 2972682 SZOMBIJFXZQGTQ-UHFFFAOYSA-N 373.250 5.386 0 50 FKAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCc2ccccc21 3216246 QQXOPZRYBYAQHO-UHFFFAOYSA-N 370.811 5.036 0 50 FKAA c1ccc(CCN(Cc2ccccc2)C2CCN(C3CCCC3)CC2)cc1 4745637 GYEARUVEOORDAZ-UHFFFAOYSA-N 362.561 5.138 0 50 FKAA CCCOc1cc(O)c(-c2n[nH]c(C)c2-c2ccc(F)cc2)cc1CC 4844854 GIWQMEIQLNYMOY-UHFFFAOYSA-N 354.425 5.248 0 50 FKAA Cc1nn(C)cc1CN1CC[C@@H](c2cccc(F)c2)Sc2ccccc21 11786616 FMBLZAMKTGYMSP-FQEVSTJZSA-N 367.493 5.111 0 50 FKAA CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1ccc2onc(C)c2c1 65502083 ZRBNTYMZOKJXND-SFHVURJKSA-N 361.445 5.264 0 50 FKAA Cc1nc(-c2cccc(C(=O)N(Cc3ccsc3)C3CC3)c2)sc1C 299764788 LMMLWYWBYRNDGH-UHFFFAOYSA-N 368.527 5.293 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)c(C)c1 996368 KFWVMXGUBUJZMN-UHFFFAOYSA-N 358.485 5.535 0 50 FKAA FC(F)(F)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 1745101 IUPGPZVLBBNEIG-UHFFFAOYSA-N 365.358 6.059 0 50 FKAA Cc1ccc(C)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1886734 BFBRVRNYAOXTCG-UHFFFAOYSA-N 352.261 5.408 0 50 FKAA O=C(c1cn(CCCOc2ccccc2Cl)c2ccccc12)C1CC1 2493211 DDHIRYUYXCJIBZ-UHFFFAOYSA-N 353.849 5.357 0 50 FKAA COc1ccc(-c2ccccc2)cc1NCc1c(OC)ccc2ccccc12 2894033 ZVJPOHWNKCWEPV-UHFFFAOYSA-N 369.464 6.136 0 50 FKAA Cc1ccc(C(=O)n2c(C(C)(C)C)cs/c2=N\c2ccc(F)cc2)cc1 6922813 JXCLUZNBWVTTPN-ATJXCDBQSA-N 368.477 5.216 0 50 FKAA CCOc1ccc([C@H](Nc2ccccc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 15635817 ALKPVMODDDUWSR-JSXNVLRUSA-N 361.378 5.215 0 50 FKAA N[C@@H](c1ccc(Cl)cc1Cl)[C@H](N)c1ccc(Cl)cc1Cl 25759379 UXVDOQZLEYUGHO-OKILXGFUSA-N 350.076 5.000 0 50 FKAA in-vitro Cc1c(C(=O)N(CCC(C)C)CCC(C)C)oc2c1C(=O)CC(C)(C)C2 1875343502 LFEZMAVCKKILHE-UHFFFAOYSA-N 361.526 5.278 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)s1 669133 JEQXICMWKQXSPP-UHFFFAOYSA-N 350.487 5.144 0 50 FKAA CC(C)Cc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1 680039 WFXZXSLNEJCUMR-UHFFFAOYSA-N 371.440 5.341 0 50 FKAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCc2c([nH]c3ccccc23)C1 756604 KWQTXMAIRPMWQC-AWEZNQCLSA-N 358.407 5.176 0 50 FKAA COc1ccc(OC)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 827351 KFLNEDUHNWEZSF-UHFFFAOYSA-N 356.425 5.428 0 50 FKAA biogenic COc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)cc1 1188553 GTCKRYWQBSAECG-UHFFFAOYSA-N 367.452 5.871 0 50 FKAA CC[C@H](C)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 2826594 CPLDHXUZWCUBQQ-INIZCTEOSA-N 374.509 7.035 0 50 FKAA COC(=O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 3469586 XDPSBRNZIFDSOP-UHFFFAOYSA-N 364.253 5.571 0 50 FKAA Cc1ccccc1NC(=O)c1c(Cl)nc(Cl)c(Cl)c1Cl 3617941 XYJRDHPJCBFVST-UHFFFAOYSA-N 350.032 5.256 0 50 FKAA CCOP(=O)(CCCCCCP(=O)(OCC)OCC)OCC 4403935 VFUQGLDSIBJREL-UHFFFAOYSA-N 358.352 5.079 0 50 FKAA C[C@H](NCC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccccc1 100744612 GUYRJBUAYYRZRL-VJBMBRPKSA-N 351.534 5.716 0 50 FKAA biogenic Cc1ccc(-c2nc(Oc3ccccc3)nc(-c3ccc(C)cc3)n2)cc1 887336 QJXBCIIJYLMIRW-UHFFFAOYSA-N 353.425 5.615 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1C 1154156 POCNLHKHMDXYPT-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4)c3)nc2c1 1184589 ILNXCRKQDRFGBE-UHFFFAOYSA-N 372.424 5.075 0 50 FKAA COc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1Cl 1207980 KNTGFGQFGBCAPX-UHFFFAOYSA-N 368.776 5.002 0 50 FKAA CCc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2135115 ZBJSGRUKYBFRTK-UHFFFAOYSA-N 353.245 5.320 0 50 FKAA Cc1cccc(C(=O)O)c1NC(=O)OCC1c2ccccc2-c2ccccc21 2582970 HRZRGCZCULPHNU-UHFFFAOYSA-N 373.408 5.054 0 50 FKAA CCOP(=O)(OCC)[C@@H](Nc1ccc(C)cc1)c1c[nH]c2ccccc12 2810167 DHEVSZUGANCXBL-HXUWFJFHSA-N 372.405 5.853 0 50 FKAA FC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccccc3)nc2n1 3041413 PBQJLXSHRMIUOQ-UHFFFAOYSA-N 357.257 5.411 0 50 FKAA Cc1cccc2c1-c1sc(C(=O)NCc3ccc(Cl)cc3)cc1CO2 5049852 NBYRMMXQCJZODK-UHFFFAOYSA-N 369.873 5.199 0 50 FKAA CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OCc1ccccc1 5553722 RVBLXUAPXWEIPM-GOSISDBHSA-N 368.473 5.417 0 50 FKAA in-vitro Cc1ccc(CNC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 17076696 ZTYPPALNNATJBB-UHFFFAOYSA-N 374.553 5.181 0 50 FKAA COc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 64984526 VQEXTWXMCYDFDE-LJQANCHMSA-N 358.869 5.498 0 50 FKAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3cccc(Cl)c3)on2)C1 101310566 HZSVNSHDFDKZCS-MGPUTAFESA-N 358.869 5.036 0 50 FKAA C[C@H](Nc1ccc(Cl)c(CS(C)(=O)=O)c1)c1ccc2ccccc2c1 170629681 MLFHPRVLZDRTIM-AWEZNQCLSA-N 373.905 5.211 0 50 FKAA C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 229795608 RRMUREHKKVYKDT-ZKYQVNSYSA-N 367.333 5.251 0 50 FKAA C[C@@H](NC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2cnccc2c1 2325827842 RQEDKMOLEMERMQ-CQSZACIVSA-N 356.391 5.594 0 50 FKAA COc1ccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 640425 UEZOOXVLGMAHAB-UHFFFAOYSA-N 358.437 5.325 0 50 FKAA CCOc1ccccc1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 754775 DWZQCYYAMNHMIJ-FQEVSTJZSA-N 357.453 5.030 0 50 FKAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 1197678 LQPQNBKIQKZOJH-UHFFFAOYSA-N 355.481 5.449 0 50 FKAA CCCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2C)cc1Cl 2850882 SRKNFCNMNTXVCD-UHFFFAOYSA-N 372.679 5.996 0 50 FKAA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(F)cc1F 2854498 WOLQTDIMQPNNDC-UHFFFAOYSA-N 350.434 5.080 0 50 FKAA CCC(=O)c1ccccc1OCCCCn1cnc2cc(C)c(C)cc21 4759439 XNONAWYFORPNHU-UHFFFAOYSA-N 350.462 5.105 0 50 FKAA O=C(/C=C\c1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 22108974 XEXLTENTCVEWCF-MLPAPPSSSA-N 374.827 5.800 0 50 FKAA C[C@H]1SCCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1 1875346538 GZCLMNUWCDTXLO-PXAZEXFGSA-N 366.313 5.312 0 50 FKAA Cc1ccc(-c2csc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)cc1 951884 ZWDUTZCDRQZRQE-UHFFFAOYSA-N 366.873 5.135 0 50 FKAA Cc1cccc(C(C)C)c1NC(=O)CSCc1c(F)cccc1Cl 1058862 TUYGAQVXHJKXLH-UHFFFAOYSA-N 365.901 5.783 0 50 FKAA O=C(CSc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 1164702 CEXYZXHABBFWMM-UHFFFAOYSA-N 365.523 5.710 0 50 FKAA Cc1nn(C(=O)COc2ccc(Cl)cc2)c(C)c1Sc1ccccc1 1191709 SOEJNVNOETZDJM-UHFFFAOYSA-N 372.877 5.024 0 50 FKAA CCCC(=O)N1c2c(C)cc(C)cc2-c2c(ssc2=S)C1(C)C 2929410 GBIGBBRJCQVSOQ-UHFFFAOYSA-N 363.573 6.205 0 50 FKAA Fc1ccccc1COc1ccc2ccccc2c1CNCc1cccnc1 4413550 AWCVEQOWPICIID-UHFFFAOYSA-N 372.443 5.243 0 50 FKAA COc1c(Br)cc(Cl)cc1/C=C/c1ccc2ccccc2n1 5065713 WZCVWHPGCOQURX-VQHVLOKHSA-N 374.665 5.830 0 50 FKAA Ic1ccc(-n2c3ccccc3c3ccccc32)cc1 87489330 CWZDMKAGSIDFBR-UHFFFAOYSA-N 369.205 5.388 0 50 FKAA CC(=O)O[C@H]1C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1C(C)=O 253595584 GIYJTJPCTWLLOH-IXRCNCIKSA-N 360.538 5.166 0 50 FKAA Cc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1 639665 KYWOLCQDEFVIAM-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA c1ccc(-c2cc(-c3nc(-c4ccncc4)no3)c3ccccc3n2)cc1 1160073 WQOULNONPXECCG-UHFFFAOYSA-N 350.381 5.014 0 50 FKAA COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl 1397585 PMEOCJRFYMIHHN-ZDUSSCGKSA-N 371.647 5.176 0 50 FKAA O=C(/C=C/c1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(Cl)c1 2549288 PPGGFBQTDPRJPX-FPYGCLRLSA-N 359.706 5.030 0 50 FKAA CC[n+]1c(/C=C/C/C=C/N(C(C)=O)c2ccccc2)ccc2ccccc21 4566324 JRBCOIDQNHSCDP-GTWYIGBMSA-N 357.477 5.117 0 50 FKAA O=c1oc2cc(OCc3cccc(F)c3)c(Cl)cc2c2c1CCCC2 4818508 SEUICDILJSMHGB-UHFFFAOYSA-N 358.796 5.043 0 50 FKAA C[C@H](CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 4981058 BIHXXJVQMPEIFJ-QGZVFWFLSA-N 362.439 5.021 0 50 FKAA CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)Nc2cccc(SC)c2)cc1 13320022 VYQFFZCGEBRWGN-FOIQADDNSA-N 356.535 6.195 0 50 FKAA FC(F)(F)Cc1cccc(-c2nccn2CCCOC2CCCCC2)c1 1857694686 HYTFPKAWOVZGNQ-UHFFFAOYSA-N 366.427 5.394 0 50 FKAA O=C(Nc1cccc(Cl)c1)[C@@H](Sc1ccccc1)c1ccccc1 671575 YJPXGUUIPMRMOX-IBGZPJMESA-N 353.874 5.812 0 50 FKAA S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCc2ccccc2C1 986497 NGLPBUYYWGNWQF-UHFFFAOYSA-N 360.482 5.234 0 50 FKAA CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC)cc1Cl 2852511 UXNKHYANUQTJNX-UHFFFAOYSA-N 368.260 5.433 0 50 FKAA O=C(O)c1ccccc1C(=O)c1ccc2c(c1)-c1cccc3cccc-2c13 3051890 OSGPEGBNYNVHNO-UHFFFAOYSA-N 350.373 5.416 0 50 FKAA CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(CC)cc3)nc21 13961138 HAXDMGTVRZBZCR-UHFFFAOYSA-N 361.411 5.788 0 50 FKAA C[C@H]1CC=CC[C@@H]1[C@@H](OC[C@H]1CC=CC[C@H]1C)OC[C@@H]1CC=CC[C@@H]1C 254520923 WAEPJRAKLSUPKF-MIAWPZAFSA-N 358.566 6.153 0 50 FKAA COc1cccc([C@H]2CCCN2C(=O)c2cccc(-c3ccncc3C)c2)c1 426489920 PBBBZLXXOGJVFH-HSZRJFAPSA-N 372.468 5.043 0 50 FKAA O=C1N(c2cccc3ccccc23)[C@H](c2ccccc2Cl)N2CCCN12 638048 GAMQBOPSALYWFG-HXUWFJFHSA-N 363.848 5.055 0 50 FKAA CCc1cccc(CC)c1N(Cc1ccco1)C(=O)CC1CCCCC1 722232 ODQIUTWOVHROFC-UHFFFAOYSA-N 353.506 5.908 0 50 FKAA CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(C)=O 825992 YZUYHTBGDDKAAX-UHFFFAOYSA-N 351.518 5.206 0 50 FKAA COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 1175030 HTWRVKFAUVSSIB-UHFFFAOYSA-N 352.261 5.272 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 1209676 ZDNVEQBZSGYUBK-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA Cc1ccccc1C(=O)N1c2c(C)cccc2[C@H](Nc2ccccc2)C[C@H]1C 2260599 IPICHAAZNFFADX-AUSIDOKSSA-N 370.496 5.896 0 50 FKAA Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3ccccc3C)c2c1 2577080 QFKVRNKITBQPLW-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA CCOc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 2979956 ZUOYTIHZLGGKBM-UHFFFAOYSA-N 367.832 5.783 0 50 FKAA CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1C 4755758 IFUZWHRSAAJBSB-UHFFFAOYSA-N 362.351 5.175 0 50 FKAA C[C@H](NC(=O)/C=C(\N[C@@H](C)c1ccccc1)c1ccccc1)c1ccccc1 5285706 RELZJOZXRBOZIZ-IHODEGLMSA-N 370.496 5.256 0 50 FKAA Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 5716133 NACOUHZWWIXOGK-FXAWDEMLSA-N 368.795 5.314 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]12C 36372118 RVGVSOKFBAOUCH-XWAMAECRSA-N 374.565 5.715 0 50 FKAA O=C(c1ccccc1Cl)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 170618295 QPUGVYWLORZWQJ-QGZVFWFLSA-N 372.902 5.455 0 50 FKAA Cc1ccc2nc(C)c(C(=O)Nc3c(F)cccc3Br)cc2c1 225462084 DCIZDXOWGNUYMZ-UHFFFAOYSA-N 373.225 5.006 0 50 FKAA C[C@@H](Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2)c1cc2ccccc2o1 1875330202 RZGSOZCQQBJJQC-OAHLLOKOSA-N 360.457 5.760 0 50 FKAA CC(C)Cc1ccc([C@@H](NCc2noc(C3CCCCC3)n2)C(C)C)cc1 1875356163 HWPVHALLNWHNJT-QFIPXVFZSA-N 369.553 5.803 0 50 FKAA CC(C)(C)c1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1 630657 MYLOQHGMGYSPBH-UHFFFAOYSA-N 350.487 5.211 0 50 FKAA O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1CCc1ccccc1 951368 WEWJTRIHKHLGSM-UHFFFAOYSA-N 366.873 5.021 0 50 FKAA COc1ccc(-c2cc(=O)c3cc(OCc4ccccc4)ccc3o2)cc1 955675 QLLUAPNUWWSTMB-UHFFFAOYSA-N 358.393 5.048 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 980440 VTSRXJWBDZLEQQ-UHFFFAOYSA-N 367.832 5.458 0 50 FKAA Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N1CCCC1 1111720 STDMJRXKJIJUFG-UHFFFAOYSA-N 350.849 5.100 0 50 FKAA CCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 2485635 JBQOULAOZUFWMA-UHFFFAOYSA-N 371.278 5.899 0 50 FKAA CCCCC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 2829958 BPIFPJKKYZOYDX-UHFFFAOYSA-N 365.260 5.374 0 50 FKAA CCc1sc(NC(=O)CCSc2ccccc2)nc1-c1ccccc1 4740520 CFLNCYNWUMRNIH-UHFFFAOYSA-N 368.527 5.493 0 50 FKAA CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)cc1 25781664 FCRPJQOMWNSUII-UKILVPOCSA-N 368.480 5.800 0 50 FKAA CCCC[C@H](CC)COC(=O)CCCC(=O)OC[C@H](CC)CCCC 31320147 ABXLQQAKBRIHIT-KDURUIRLSA-N 356.547 5.676 0 50 FKAA Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1O 253534485 ARYVICLZGFZHAR-VIJPWPQXSA-N 368.565 5.207 0 50 FKAA O=C(CC1CCCCC1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 303270690 FUVCRPUCJHGWLP-KRWDZBQOSA-N 374.283 5.003 0 50 FKAA Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c2c(c1)[C@@H](C)CCN2 2325841613 BHIXGKKGQMBBBA-SFHVURJKSA-N 370.496 5.757 0 50 FKAA O=C(Oc1cccc2c(OC(=O)c3ccccc3)cccc12)c1ccccc1 716192 BXRXNZCGYOFYMZ-UHFFFAOYSA-N 368.388 5.278 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)s2)nc2ccc(Br)cc12 1083493 UUSNZCPBAVADHD-UHFFFAOYSA-N 368.639 5.077 0 50 FKAA Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccncc2)cc1 1088256 LAOJRBAIFZEOKQ-UHFFFAOYSA-N 372.497 5.238 0 50 FKAA O=C(NCCCc1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 2742315 GSTXTVUJRNVILY-JOCHJYFZSA-N 361.510 5.269 0 50 FKAA CC(C)(C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 2823309 KKINMDKIMJLPLC-UHFFFAOYSA-N 371.524 6.036 0 50 FKAA CC[C@H](C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1)c1ccccc1 4809592 CEANJNQRBWDTAE-NRFANRHFSA-N 369.468 5.442 0 50 FKAA Cc1oc(-c2cccc(Cl)c2)nc1CN(CC1CCC1)C[C@H]1CCCO1 11844305 UVRJCSIZLXDRCB-LJQANCHMSA-N 374.912 5.085 0 50 FKAA Cc1ccc(-c2nc(CN3CCCC[C@H]3c3cccc(F)c3)c(C)o2)o1 12593537 JJHQSAZKYJXAGA-IBGZPJMESA-N 354.425 5.418 0 50 FKAA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1oc2ccccc2c1C 253407420 JWCKMSQGZOOFDL-LJQANCHMSA-N 374.440 5.039 0 50 FKAA CC(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)C)cc2)cc1 640480 ULCFANPHZAXCFJ-UHFFFAOYSA-N 370.449 5.191 0 50 FKAA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1 939719 YLNQCBMGALRPGB-UHFFFAOYSA-N 365.395 5.329 0 50 FKAA COc1ccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)cc1Cl 1078090 BGHDXCHAEYAMCG-UHFFFAOYSA-N 358.825 5.141 0 50 FKAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 1119821 XFZWOFYLAYJQAL-WMZOPIPTSA-N 366.332 5.059 0 50 FKAA COc1ccc(OC)c(-c2nc(-c3ccccc3)c(-c3ccc(C)cc3)[nH]2)c1 1156587 CCYGMQFICIWSRC-UHFFFAOYSA-N 370.452 5.736 0 50 FKAA CCc1ccc(-c2nc3cc(NC(=O)c4cccc(OC)c4)ccc3o2)cc1 1204101 PIMWTLFTLFHKBZ-UHFFFAOYSA-N 372.424 5.318 0 50 FKAA Clc1ccc(-c2nc(-c3ccc(Br)cc3)no2)c(Cl)c1 1219360 FCHAOUUZWMEJQJ-UHFFFAOYSA-N 370.033 5.473 0 50 FKAA in-vitro O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccccc1Cl 2870601 VSZOBAQTCIIZPF-UHFFFAOYSA-N 367.861 5.100 0 50 FKAA Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C 3873121 SLXTWXQUEZSSTJ-UHFFFAOYSA-N 363.501 5.517 0 50 FKAA biogenic,investigational COc1ccc(-c2csc(Nc3c(Cl)cccc3Cl)n2)cc1 4748288 UNTCAWXXJBALQB-UHFFFAOYSA-N 351.258 5.869 0 50 FKAA O=C(CSc1ccc2ccccc2c1)Nc1cccc(Br)c1 4809067 SCISVGUYMXCHIN-UHFFFAOYSA-N 372.287 5.333 0 50 FKAA Cc1nc[nH]c1CN1CC[C@H](c2ccc(F)c(F)c2)Sc2ccccc21 11912246 VMWNDPSBZCUTAG-LJQANCHMSA-N 371.456 5.240 0 50 FKAA Cc1ccc(C(=O)c2cn(CCC[C@H](C)O)c3ccccc23)c2ccccc12 95910943 CLPJTHSXFZPIBP-SFHVURJKSA-N 371.480 5.495 0 50 FKAA in-vitro c1csc(CN2CCCN(Cc3ccc(C4CCCC4)s3)CC2)c1 952960365 MBBFOOYFFQPUTG-UHFFFAOYSA-N 360.592 5.175 0 50 FKAA Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 957938 AEHBMJNWMOMHPS-UHFFFAOYSA-N 365.816 5.120 0 50 FKAA Cc1nc(S[C@H](C(=O)c2ccccc2)c2ccccc2)nc2ccccc12 1113797 WSFZEPVAWSDMEE-QFIPXVFZSA-N 370.477 5.655 0 50 FKAA aggregator CCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 1188430 LVZRXUQTTUNIQQ-UHFFFAOYSA-N 352.437 5.569 0 50 FKAA Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1189512 AKCQWCNDUPKMFE-UHFFFAOYSA-N 352.437 5.771 0 50 FKAA CCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 1840114 NRZVZOHLLWULEH-UHFFFAOYSA-N 372.896 5.371 0 50 FKAA c1ccc(Nc2cc(Nc3ccccc3)cc(Nc3ccccc3)c2)cc1 1843185 BMQHYGLEATWRFO-UHFFFAOYSA-N 351.453 6.917 0 50 FKAA in-vitro CC(C)(C)c1ccc(C(=O)CCCSc2nc3ccccc3[nH]2)cc1 4593598 STITVIVDFXELAB-UHFFFAOYSA-N 352.503 5.616 0 50 FKAA Cc1nn(-c2ccccc2F)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 20615613 RWXSDJXAPULEFU-UHFFFAOYSA-N 371.337 5.554 0 50 FKAA Cc1nc2cc(-c3cccc(-c4ccn(Cc5ccccn5)n4)c3)ccc2o1 20668289 XIYYDAAHHPPWOY-UHFFFAOYSA-N 366.424 5.110 0 50 FKAA CC(C)(C)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 1857799015 JYIVIDZCBBOEEC-UHFFFAOYSA-N 362.448 5.365 0 50 FKAA CCC[C@H](NCCc1cn(C)nc1C)c1ccc(Oc2ccccc2)cc1 2325822261 NBBSKUWXGQWURU-QHCPKHFHSA-N 363.505 5.194 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cs1)C(c1ccccc1)c1ccccc1 625260 PKUQZUKGEHDUHQ-UHFFFAOYSA-N 370.477 5.581 0 50 FKAA CCc1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 651812 PFUBRCUIHDEMHI-UHFFFAOYSA-N 350.270 6.023 0 50 FKAA FC(F)(F)c1ccc(Cl)c(Nc2nc(-c3ccccn3)cs2)c1 1122978 XJYRCMJWPBZUIC-UHFFFAOYSA-N 355.772 5.621 0 50 FKAA Cc1nc(CSc2ccc(Cl)cc2)cc(NCc2ccccc2)n1 1392249 JFXONOUWZJGQNU-UHFFFAOYSA-N 355.894 5.343 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 3105433 ODRCMYHEMVPCBN-UHFFFAOYSA-N 361.510 6.156 0 50 FKAA Cc1cccc(C)c1NC(=O)CCc1ccc(-c2cccc(Cl)c2)o1 4541868 ANWNOYNWMSOTCU-UHFFFAOYSA-N 353.849 5.788 0 50 FKAA Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 4902331 MOLWINUUEKATJQ-NRFANRHFSA-N 350.824 5.835 0 50 FKAA CCc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1 6747419 NQYBFXCQORKWKI-UHFFFAOYSA-N 353.849 5.338 0 50 FKAA CCc1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccccn2)cc1 8586517 YQQVSQXLJQGJJG-UHFFFAOYSA-N 365.864 5.536 0 50 FKAA Cc1ccc(C)c([C@H](C)NC(=O)c2cc(Br)ccc2Cl)c1 13329763 QHCREOOIESZMLU-LBPRGKRZSA-N 366.686 5.210 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CC[C@H]2O 257357453 OEECLXWCHUIMAU-ISBCMVRGSA-N 374.565 5.222 0 50 FKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(F)c(F)c3)CC2)CC1 514278408 SJQNBUFTRYMKET-OPMHRUBESA-N 364.476 6.283 0 50 FKAA in-vitro c1ccc(-c2ccc(CN3CCCC[C@@H]3c3cc4ccccc4[nH]3)cc2)cc1 1875318905 YZPNERPRSKQRQF-AREMUKBSSA-N 366.508 6.562 0 50 FKAA COC(=O)c1nc(N(C)c2cccc(SC)c2)sc1-c1ccccc1 1875362721 PYGJZGGASFTPCH-UHFFFAOYSA-N 370.499 5.087 0 50 FKAA Cc1ccc(Nc2nc([C@]3(C)C[C@H](CCC(C)C)C(=O)O3)cs2)cc1 674484 RHVNGYYWNZQCCU-YWZLYKJASA-N 358.507 5.410 0 50 FKAA O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1Cl 957928 YRSHTBSSWAUTHL-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA Cc1ccc2oc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)c2c1 1131307 YLTLLGMFMJEFSK-UHFFFAOYSA-N 367.754 5.974 0 50 FKAA Cc1nn(-c2ccccc2)c(C)c1Sc1ccc(Br)cc1 1205177 KLCWTOPKFPZLEG-UHFFFAOYSA-N 359.292 5.403 0 50 FKAA O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1 1208417 AJFVMFITPBGAJC-UHFFFAOYSA-N 364.788 5.106 0 50 FKAA O=C1c2ccccc2C(C(c2ccccc2)c2ccccc2)c2ccccc21 1627149 CYXFDORFEVPBMM-UHFFFAOYSA-N 360.456 6.195 0 50 FKAA Cc1ccccc1N[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2c(C)cccc21 2260705 ACLHIXHXMIGRBU-AUSIDOKSSA-N 370.496 5.896 0 50 FKAA Cc1cc(NCCc2ccccc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2363526 BBYXGWXBMARCIX-UHFFFAOYSA-N 362.864 5.013 0 50 FKAA Fc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 2859055 VSCQZJQLXXNGDY-UHFFFAOYSA-N 372.852 6.080 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)cc3Cl)ccc21 4167859 NBNDZLSROIWZKK-UHFFFAOYSA-N 362.860 6.029 0 50 FKAA CCCNC(=O)c1cc(-c2ccc(CC)s2)nc2ccc(Cl)cc12 6636194 YCTLJCKOJJUKIS-UHFFFAOYSA-N 358.894 5.319 0 50 FKAA CCOc1ccc(-c2csc3ncnc(Nc4ccc(O)cc4)c23)cc1 12082757 YDZUXTMLPGUCBY-UHFFFAOYSA-N 363.442 5.206 0 50 FKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2ncc(Br)cc21 169794166 RTCMSZSQBFLIEZ-UHFFFAOYSA-N 353.380 5.822 0 50 FKAA in-vitro C=Cc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1848350031 VDXVOUZXBSOCMM-UHFFFAOYSA-N 358.484 7.337 0 50 FKAA c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 641616 GGHBKCSNURXPNB-UHFFFAOYSA-N 354.417 5.102 0 50 FKAA Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3C)n2)cc1 947011 BFKGPRFKQIFPPY-UHFFFAOYSA-N 372.877 5.098 0 50 FKAA Cc1ccc(C)c(Oc2coc3cc(OC(=O)C(C)(C)C)ccc3c2=O)c1 948931 IJDPEWYPICWOLF-UHFFFAOYSA-N 366.413 5.154 0 50 FKAA O=C(CCc1ccccc1)Nc1ccc2oc(-c3ccccc3F)nc2c1 1127622 GVUPBYQBEALIAU-UHFFFAOYSA-N 360.388 5.205 0 50 FKAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)c(Cl)c1 1185509 QKOSRPVUIPIWTG-UHFFFAOYSA-N 363.288 5.165 0 50 FKAA Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccccc4)c3C)nc2c1 1203967 NPODRPKPHDICLK-WYMLVPIESA-N 368.436 5.764 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)N(C1CCCCC1)C1CCCCC1 2163942 KLDYJABDMLXLAZ-UHFFFAOYSA-N 369.336 6.493 0 50 FKAA O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)nc2ccccc12 2352415 BBZRFGIVOFTBQR-UHFFFAOYSA-N 360.363 5.432 0 50 FKAA CN(c1ccc(O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2861703 YIKYHFOHBRALGB-UHFFFAOYSA-N 351.258 5.590 0 50 FKAA O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 4071243 RJHDJVZBNPHCDK-UHFFFAOYSA-N 364.401 5.060 0 50 FKAA Fc1ccc(-n2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2=S)cc1Cl 4983701 LEFFGYRHVQONJH-UHFFFAOYSA-N 363.889 5.190 0 50 FKAA O=c1c(CNc2ccc(F)c(Cl)c2)coc2c(Cl)cc(Cl)cc12 4989257 SQVCCZXKHMCBEM-UHFFFAOYSA-N 372.610 5.504 0 50 FKAA Cc1ccc(/N=c2/sc3ccccc3nc2Nc2ccc(C)cc2)cc1 17111369 LQBBHNGDCLWFLL-ZNTNEXAZSA-N 357.482 5.889 0 50 FKAA CCCCCn1cc(C(=O)c2c(CC)ccc3ccccc23)c2ccccc21 71746307 ODRBKYARHZKAPB-UHFFFAOYSA-N 369.508 6.778 0 50 FKAA in-vitro CCCCC[C@H](CC)OC(=O)c1ccccc1C(=O)OCc1ccccc1 95868134 AMJMHZXMMFYORT-IBGZPJMESA-N 368.473 5.559 0 50 FKAA O=C(Nc1cccc(Br)c1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 253387578 KVFSWFSBUJJKAD-GMFDKDDBSA-N 374.322 5.716 0 50 FKAA CCCc1nc(NC(=O)[C@]23CCC[C@H]2CC(F)(F)CC3)sc1CC 1875357178 WCUWAPPKEQBCFG-SJCJKPOMSA-N 356.482 5.202 0 50 FKAA c1ccc(-c2nnc(Sc3nc4ccccc4o3)c3ccccc23)cc1 708099 RQERQSSVQBLOMB-UHFFFAOYSA-N 355.422 5.589 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(F)c1 855958 USNGTWIJXFTREV-IIBYNOLFSA-N 360.432 5.418 0 50 FKAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 1121780 MLVXHFQKNGYUSL-UHFFFAOYSA-N 361.441 5.422 0 50 FKAA C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 1212741 IEDWYQQEMKCMSQ-KRWDZBQOSA-N 352.437 5.393 0 50 FKAA in-vivo Nc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccc(Cl)cc2)cs1 1386151 XDHRVGCUZMDOBO-UHFFFAOYSA-N 370.840 5.038 0 50 FKAA CCOc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 1791119 XVSQWEMJYAFJAJ-UHFFFAOYSA-N 358.850 5.115 0 50 FKAA CCCOc1c(Cl)cc(C(=O)Oc2ccc(OC)cc2)cc1Cl 2855740 FIIWSDXONMTUBY-UHFFFAOYSA-N 355.217 5.010 0 50 FKAA CCOc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 2870297 DXHDFJGVBDHXJY-UHFFFAOYSA-N 372.515 5.043 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@H](C)O 13737355 HTNMZCWZEMNFCR-AQNSPSBUSA-N 361.570 5.629 0 50 FKAA in-vitro COc1ccc(C2=N[C@H](c3ccccc3Cl)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504086 MVWBXWFFHHOXPU-REFWVTMDSA-N 374.871 5.276 0 50 FKAA C[C@H]1CCC[C@H](C)N1CCCCC(O)(c1ccccc1)c1ccccc1 29551823 KUFREUPVXVHBCT-SFTDATJTSA-N 351.534 5.356 0 50 FKAA O[C@H]1CCCC[C@@H]1n1cnc(-c2ccccc2)c1-c1cccc2ncccc12 65372271 SWHJOLFYUJMFSS-VXKWHMMOSA-N 369.468 5.241 0 50 FKAA CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 875944 NNHGQCTTXJWDTJ-UHFFFAOYSA-N 370.449 5.148 0 50 FKAA O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 903123 RYBLXPUABULZTI-UHFFFAOYSA-N 368.424 5.272 0 50 FKAA COc1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)cc1 1109190 WMZFXIABTPJMMI-UHFFFAOYSA-N 350.443 5.296 0 50 FKAA CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc(OC)cc4)c3cc12 2126390 OBGOQQWYHCVZLM-UHFFFAOYSA-N 362.425 5.866 0 50 FKAA biogenic CCC[C@]1(CN2c3ccccc3Sc3ccccc32)CCN(CC)C1 2168118 HVDVITZBAJESBC-QFIPXVFZSA-N 352.547 5.801 0 50 FKAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccccc1Cl 2768050 FYNPJEQNCICJGG-UHFFFAOYSA-N 374.271 5.107 0 50 FKAA Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1 4854035 JIYYHRHLIIVOHY-GOSISDBHSA-N 373.283 5.807 0 50 FKAA O=C(CC[C@@H]1CCCN(Cc2ccc(C3CCCCC3)s2)C1)NC1CC1 11878920 AHXBDWHZYZBKGX-KRWDZBQOSA-N 374.594 5.067 0 50 FKAA Cc1noc2nc(-c3cccs3)cc(C(=O)NC(C)(C)CC(C)(C)C)c12 13642023 MJZKDWRESXVTIL-UHFFFAOYSA-N 371.506 5.204 0 50 FKAA COc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1 16677757 GLAWGAJBLDJJOM-QHCPKHFHSA-N 360.501 5.242 0 50 FKAA CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccs3)nc21 20603587 QDVVMPQBUJBPFX-MRVPVSSYSA-N 367.446 5.091 0 50 FKAA O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@@H]1c1cccs1 30036872 MNTMEDDXOMUVSZ-OAHLLOKOSA-N 358.850 5.034 0 50 FKAA Cc1cc(C)c(-c2c(-c3ccccc3)ncn2CCn2ccnc2)cc1C 65385606 VWVVQJMDZCFFJF-UHFFFAOYSA-N 356.473 5.039 0 50 FKAA CC[C@H](NC1(Cc2ccc(F)cc2C)CC1)c1ccc(OC(F)F)cc1 2325829274 DZMXUYSTDVUQFU-IBGZPJMESA-N 363.423 5.552 0 50 FKAA S=C(c1ccc(OCc2cccc3ccccc23)cc1)N1CCCCC1 1072987 SWDMVIVTAXDPRZ-UHFFFAOYSA-N 361.510 5.580 0 50 FKAA Cc1cc(OCC(=O)Nc2ccccc2-c2ccccc2)cc(C)c1Cl 1217476 QDXDXAPPEPAIBZ-UHFFFAOYSA-N 365.860 5.641 0 50 FKAA c1ccc(CCSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 1468056 RSRXQGQFTVAXHU-UHFFFAOYSA-N 363.511 5.331 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 2960335 QFQJZNMWZUTFBR-UHFFFAOYSA-N 356.897 5.490 0 50 FKAA O[C@H]1C[C@@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21 3133540 MSENWMQWPMYKPR-OALUTQOASA-N 370.370 6.067 0 50 FKAA O=C(Oc1ccc(-c2ccccc2)c(F)c1)c1cccc(Cl)c1Cl 4050308 WJNCLNCLRKYILX-UHFFFAOYSA-N 361.199 6.019 0 50 FKAA Clc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2)cc1 4532233 ATBNZHRYPXMCQZ-NRFANRHFSA-N 367.279 6.349 0 50 FKAA O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1Cl 4614681 HTTLBAAPRRKZMK-LVWGJNHUSA-N 374.827 5.571 0 50 FKAA CCC(=O)Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1 4868642 LERHIYLITFTDST-UHFFFAOYSA-N 352.821 5.094 0 50 FKAA COc1ccc(C(C)(C)C)cc1NC(=O)NC12CC3CC(CC(C3)C1)C2 5041517 RABWGGLGRMESEF-UHFFFAOYSA-N 356.510 5.083 0 50 FKAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(F)cc2)n1 20450634 FYJWPVVENINRFE-DEOSSOPVSA-N 371.459 5.158 0 50 FKAA Cc1ccccc1-c1cnc(NC(=O)c2c(Cl)cccc2Cl)s1 170651975 PKQZWOJLWBNEFM-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA Cc1ccc(O)c(-c2cccc(C(=O)N3CCCC[C@H]3c3cccnc3)c2)c1 299791833 FUFCAGCTFSQNER-QFIPXVFZSA-N 372.468 5.130 0 50 FKAA CC(=O)Nc1ccc(N[C@H](C)c2csc(-c3ccccc3F)n2)cc1 462807983 ZGUKUSBJGNWDBG-GFCCVEGCSA-N 355.438 5.081 0 50 FKAA CCC[C@H](Nc1cnn(CCF)c1)c1ccc(Oc2ccccc2)cc1 2325822400 VJXTVWJJOIHEHR-NRFANRHFSA-N 353.441 5.598 0 50 FKAA CCc1ccc(OCCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 1773450 VFUXEANMDPLRHM-UHFFFAOYSA-N 366.486 5.170 0 50 FKAA Fc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1Cl 2552905 SKCQQBHWHFDGTJ-UHFFFAOYSA-N 350.780 5.882 0 50 FKAA CCOC(=O)c1c(NC(=O)c2oc3ccc(C)cc3c2C)sc(C)c1C 2843764 ZYLCTYSJGDLVMT-UHFFFAOYSA-N 371.458 5.157 0 50 FKAA Oc1cccc2ccc(/C=C/c3cccc(OCc4ccccc4)c3)nc12 4123923 KBDAQCVTRXYKRT-WYMLVPIESA-N 353.421 5.690 0 50 FKAA Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2F)cc1 4948497 XSQAMMJBXBCSCB-OAQYLSRUSA-N 368.814 5.974 0 50 FKAA Cc1cc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)ccc1Cl 5488855 VYVHGNFEWBJZCK-UHFFFAOYSA-N 370.710 5.272 0 50 FKAA O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 10277685 VKVJIWVUYNTBEZ-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA in-vitro O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2ccccc2)CC1 16607398 NCOMMNLDBOCGQJ-UHFFFAOYSA-N 370.496 5.204 0 50 FKAA Cc1nn(-c2ccccc2F)c2nc(-c3ccco3)cc(C(F)(F)F)c12 20604377 ZQTBVUPRIPUYEY-UHFFFAOYSA-N 361.298 5.147 0 50 FKAA ClC1=C(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 100660922 YFKSIMKOFQPMQX-WDSKDSINSA-N 367.701 5.521 0 50 FKAA C[C@H](C(=O)OCc1csc(-c2ccccc2)n1)c1ccc2ccccc2c1 2325852784 SSTKDUYRWPLGAS-INIZCTEOSA-N 373.477 5.810 0 50 FKAA Cc1cc(=O)oc2cc(OCc3cccc4ccccc34)c(Cl)cc12 1153261 HKVDYRXUFWLGKC-UHFFFAOYSA-N 350.801 5.487 0 50 FKAA Cc1cccc(N(C(=O)c2ccc(N)cc2)c2ccc3ccccc3c2)c1 1233106 PHBNTHYPWWZHQJ-UHFFFAOYSA-N 352.437 5.709 0 50 FKAA CCc1ccc2oc(-c3ccc(NC(=O)CCc4ccccc4)cc3)nc2c1 2843730 DHPNMZCUNOWJIO-UHFFFAOYSA-N 370.452 5.629 0 50 FKAA CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccccc4Cl)oc(=O)c23)C1 2993798 XSKXXICVHHXCKW-LLVKDONJSA-N 373.905 5.721 0 50 FKAA O=C(Nc1ccc(N2CCCCC2)cc1)c1sc2ccccc2c1Cl 4334101 HGAVXUAAAFVBLV-UHFFFAOYSA-N 370.905 5.797 0 50 FKAA CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 19910516 GLGSPOATOUUCTE-GBPOLFSSSA-N 354.490 5.063 0 50 FKAA Clc1ccc(Nc2ncnc3ccc(Br)cc23)cc1Cl 951927 QLICZJHOWPHSCF-UHFFFAOYSA-N 369.049 5.443 0 50 FKAA c1ccc2c(OCCCCCCOc3cccc4ccccc34)cccc2c1 3106105 CDYAKFIBFZRIHR-UHFFFAOYSA-N 370.492 7.011 0 50 FKAA Fc1ccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)c(F)c1 4010579 DDEGZWICJZXZQI-IPLHWJFFSA-N 372.465 6.109 0 50 FKAA C[C@H](NCC[C@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1 4865676 WMXGLVQQFHUUQE-FXAWDEMLSA-N 353.893 6.000 0 50 FKAA COc1cccc([C@H](C)N(C)Cc2nc(-c3ccccc3Cl)oc2C)c1 11841261 UZLUUUNPVIONGJ-AWEZNQCLSA-N 370.880 5.505 0 50 FKAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC[C@H]1c1nccs1 12092410 RPRCLCGLRWZMSN-KRWDZBQOSA-N 373.909 5.487 0 50 FKAA FC(F)(F)c1ccnc(Oc2ccc(CN3CCCC3)cc2Cl)c1 67833384 VDIGBGRUKZANSW-UHFFFAOYSA-N 356.775 5.142 0 50 FKAA Cc1cc(CN(C)Cc2cc3cccc(C)c3nc2-c2cccs2)on1 72477479 MGRBQVYQLBXCMZ-UHFFFAOYSA-N 363.486 5.200 0 50 FKAA C[C@H](F)CCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21 575631068 PSTMVUJRDHDKHN-KRWDZBQOSA-N 374.459 6.185 0 50 FKAA in-vitro O=C(CCSc1ccc(Br)cc1)c1ccc(Cl)cc1 622748 VGCPCQDNDBFKFA-UHFFFAOYSA-N 355.684 5.468 0 50 FKAA CCCCSc1ccc([C@H](SCCN(C)C)c2ccccc2)cc1 2040210 IZLPZXSZLLELBJ-OAQYLSRUSA-N 359.604 5.963 0 50 FKAA world Cc1ccc(-c2cc(C(=O)Oc3cccc(C)c3C)c3ccccc3n2)cc1 2079400 PZCGVPJWPDGCIC-UHFFFAOYSA-N 367.448 6.046 0 50 FKAA CC(C)(C)c1ccc(OCc2ccc(C(=O)NCc3ccccc3)cc2)cc1 2750463 FXOXZADIBQGVNQ-UHFFFAOYSA-N 373.496 5.493 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccccc1C(F)(F)F 2855458 RXSOQHGZOYLKEX-UHFFFAOYSA-N 372.346 6.142 0 50 FKAA Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)c(Cl)c1 3116641 MABKXYZSTGKNMS-UHFFFAOYSA-N 365.241 5.040 0 50 FKAA CC(C)c1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 4118408 BCRWKEFAVYSUHX-SFHVURJKSA-N 362.878 5.282 0 50 FKAA FC(F)(F)c1cccc(-[n+]2c(-c3cccs3)cn3c2CCCCC3)c1 4262891 ZEXKLARQJAQJRE-UHFFFAOYSA-N 363.428 5.239 0 50 FKAA CCCCCc1ccc(OCCCC[n+]2ccccc2)c(CCCCC)c1 4530585 PHEWIIFLHOOXFH-UHFFFAOYSA-N 368.585 6.299 0 50 FKAA Cc1c(Cl)cccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 4542085 PIPQNTCWBIBDCY-ZHACJKMWSA-N 353.874 6.029 0 50 FKAA Nc1sc2c(c1C(=O)Nc1cc(Cl)ccc1Cl)CCCCC2 6861821 LWYLJJWWXFUUIA-UHFFFAOYSA-N 355.290 5.158 0 50 FKAA Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)C1=CCCCC1 11764837 RUDIJOHEUIISQO-XMMPIXPASA-N 370.496 5.451 0 50 FKAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H](Nc2ccccc2)C1 15065125 DYJHYXCTUXYFIH-HSZRJFAPSA-N 356.469 5.070 0 50 FKAA CC(C)P(c1ccccc1-n1c2ccccc2c2ccccc21)C(C)C 71773602 LVZFAAVQZRSWHJ-UHFFFAOYSA-N 359.453 6.708 0 50 FKAA OCc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1848350034 YWWJSALZIIHPGD-UHFFFAOYSA-N 362.472 6.186 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(C(C)(C)C)c1 957929 CBVXUMQYSJAAMK-UHFFFAOYSA-N 366.288 5.617 0 50 FKAA C[C@@H](NC(=O)c1ccc(COc2ccccc2Cl)o1)c1ccccc1 1002123 YHLXGHSYNDUKQK-CQSZACIVSA-N 355.821 5.003 0 50 FKAA Cc1ccc([C@@]2(CCN[C@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 1177041 XKIIMXKOMFCIEX-YKSBVNFPSA-N 351.534 5.563 0 50 FKAA biogenic CC(=O)Nc1ccc2c(c1)c(-c1ccccc1)c(C)n2Cc1ccccc1 1196093 IHPAAFHHHICPJD-UHFFFAOYSA-N 354.453 5.623 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Br)s1 2764184 XKOHYBZSGVPLEA-UHFFFAOYSA-N 351.052 5.070 0 50 FKAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c1 20449814 YJYLTOUCSFXIRF-QFIPXVFZSA-N 359.498 5.081 0 50 FKAA COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 26920696 RXIIOSXDKVZUAU-GGAORHGYSA-N 374.415 5.077 0 50 FKAA CC[C@H](O)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746332 VSFMJFFDYLVSBU-SFHVURJKSA-N 357.453 5.187 0 50 FKAA in-vitro CCCCCCCCn1c2ccccc2c2cc(Br)ccc21 168319552 OQZRYECWBHQQAB-UHFFFAOYSA-N 358.323 6.918 0 50 FKAA in-vitro Cc1n[nH]c(-c2ccccc2)c1NC(=O)c1ccc(-c2ccccc2)cc1 252532902 FLANKNAVZXTGRM-UHFFFAOYSA-N 353.425 5.304 0 50 FKAA COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253610265 JCEJAUVYYGKDSZ-ABPVGNMRSA-N 360.582 6.235 0 50 FKAA CCCCC(C(=O)N1CC[C@@H](CC)[C@H]1C)(c1ccccc1)c1ccccc1 2325817702 OJYMDVAFVMCBQF-NHCUHLMSSA-N 363.545 5.810 0 50 FKAA CCOc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 708550 NYHUJHSJMHHHAE-UHFFFAOYSA-N 374.465 5.614 0 50 FKAA Cc1cccc(Cc2cnc(NC(=O)/C=C/c3ccccc3Cl)s2)c1 726162 KWEMKSACEVEKGI-MDZDMXLPSA-N 368.889 5.348 0 50 FKAA Cc1sc2ncn(Cc3c(Cl)ccc(Cl)c3Cl)c(=O)c2c1C 957754 CYCLXMJXQPKMBB-UHFFFAOYSA-N 373.692 5.083 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 1137821 UYIOGVCTLZFWHR-HZHRSRAPSA-N 371.436 5.077 0 50 FKAA O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 1191539 NOUMKSUUUPBQDM-UHFFFAOYSA-N 365.138 5.536 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1C 1209811 HCMMSMBUEPTJKG-UHFFFAOYSA-N 368.820 5.054 0 50 FKAA CCOc1cc(C=O)ccc1OCCSc1cccc2ccccc12 2028377 LOIWAUTVFDIMJZ-UHFFFAOYSA-N 352.455 5.222 0 50 FKAA Cc1ccc([C@]2(CCN[C@@H](C)c3cccs3)CCO[C@H](C(C)C)C2)cc1 2233015 CGUCFXKLVWDOLG-IEIRFRATSA-N 371.590 5.870 0 50 FKAA Clc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1Cl 2679259 SAJMTISXJKJCKW-UHFFFAOYSA-N 372.280 6.409 0 50 FKAA Cc1ccc(OC(F)F)c(NC(=O)c2sc3ccccc3c2Cl)c1 2783870 UQUAOWXSUKYTEP-UHFFFAOYSA-N 367.804 5.717 0 50 FKAA Cc1nc(C)c(-c2csc(Nc3ccccc3Br)n2)s1 2860520 NZNVRLXKEUKUMY-UHFFFAOYSA-N 366.309 5.390 0 50 FKAA Cc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)cc2)o1 6382654 VCSPURFMRKFWCI-UHFFFAOYSA-N 351.837 5.252 0 50 FKAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3cc(F)ccc3F)oc2C)c1 14971582 QYJMQFDASMTDRT-CYBMUJFWSA-N 372.415 5.130 0 50 FKAA C[C@@]12CC3CC(NC(=O)c4cc(F)c(F)cc4Cl)(C1)C[C@](C)(C3)C2 18325344 MJTAYMHVUBVPFE-PDPGNDQDSA-N 353.840 5.097 0 50 FKAA CCCCCCNCCN(CCCCCC)CCNCCCCCC 22587459 QHVDQQBHZSMNAX-UHFFFAOYSA-N 355.655 5.209 0 50 FKAA O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 217269178 UEHOZAHELDEMDB-UHFFFAOYSA-N 357.240 6.304 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](C(C)C)[C@@]4(C)CC[C@H]32)C1 257348185 BZAWVWWSERJTFM-QHYDFCIBSA-N 360.582 6.233 0 50 FKAA O=C(c1cccc(-c2ccc(OC(F)F)cc2)c1)N1C[C@H]2CCC[C@H](C2)C1 426489688 RPCMMAPHEYODMG-IYBDPMFKSA-N 371.427 5.217 0 50 FKAA CC(C)(C)c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)cc1 946577 AMSHPDFOISACKD-UHFFFAOYSA-N 357.457 5.799 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c(C)c1 1839018 OILMWYVBAANCJO-UHFFFAOYSA-N 372.493 6.141 0 50 FKAA O=C(O)c1cc(-c2cc(Cl)ccc2Cl)nc2c(Cl)cccc12 2526079 VFLRDGBLIXVCAW-UHFFFAOYSA-N 352.604 5.560 0 50 FKAA Fc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccs2)c(F)c1 4010617 RWRSYHSHQMOSDZ-GOSISDBHSA-N 374.843 6.035 0 50 FKAA O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccc2ccccc2c1 4652672 WFVIMGKRHLBPTN-UHFFFAOYSA-N 362.432 5.130 0 50 FKAA COc1cc2c(cc1NC(=O)Nc1ccc(F)cc1)oc1ccccc12 5012506 HSKJOYIEGWZTJS-UHFFFAOYSA-N 350.349 5.378 0 50 FKAA aggregator CCCCCn1cc(C(=O)Nc2ccc3ccccc3c2)c2ccccc21 72119789 LKGPFICOQRIBQC-UHFFFAOYSA-N 356.469 6.237 0 50 FKAA biogenic,in-vitro CC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c2cccnc21 169982497 NXIZHZFQXKWSAK-UHFFFAOYSA-N 353.380 5.822 0 50 FKAA O=C(c1ccccc1-c1ccccc1F)N1CCCC[C@@H]1c1nccs1 220450896 ZDYZQZMKFQLEQA-LJQANCHMSA-N 366.461 5.317 0 50 FKAA CC[C@H](C)c1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 912953 UVDGBCWVJUDZBZ-NSHDSACASA-N 352.261 5.768 0 50 FKAA COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 947034 AMRHWDRFUWJXKY-UHFFFAOYSA-N 354.711 5.141 0 50 FKAA biogenic Nc1ccccc1S[C@H](CC(=O)c1ccc(F)cc1)c1ccccc1 1094116 GXNWQRSVKCRNPK-OAQYLSRUSA-N 351.446 5.514 0 50 FKAA CCN(CC)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 1121779 GQZUNDUOTQMNNS-UHFFFAOYSA-N 351.878 5.134 0 50 FKAA CCN(C(=O)c1ccccc1)c1ccc(N(CC)C(=O)c2ccccc2)cc1 1163765 SDJYHZWTBITIFJ-UHFFFAOYSA-N 372.468 5.020 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 1167877 UYFZYDJSBUWHGT-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 1173112 XAWBPHCTRAYAJV-JTQLQIEISA-N 359.800 5.478 0 50 FKAA Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)cc1 3900799 RTIDSCZYDHHMNK-IBGZPJMESA-N 352.865 5.544 0 50 FKAA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1 5214895 MNJYKAGFMDKSLR-RUDMXATFSA-N 370.168 5.120 0 50 FKAA Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccs3)nc21 20605363 AJIKUBPZAYNXQV-UHFFFAOYSA-N 363.339 5.307 0 50 FKAA C[C@](O)(c1cc(Cl)ccc1Cl)[C@@H](c1ccccc1)c1ccccn1 71767137 UEBGQGFRGHQTJI-PMACEKPBSA-N 358.268 5.428 0 50 FKAA NC[C@H](OCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl 83324629 YEFWMFSHHWNWBA-HNNXBMFYSA-N 365.087 5.517 0 50 FKAA CCOC(=O)c1cc2ccc(Oc3ccc4sc(C)nc4c3)cc2[nH]1 1800413219 DKYZVRQGXJFJOS-UHFFFAOYSA-N 352.415 5.055 0 50 FKAA CCOCc1ccc(-c2noc(-c3ccc(Oc4ccccc4)o3)n2)cc1 1875335944 MYOKLRWHDNQMNI-UHFFFAOYSA-N 362.385 5.325 0 50 FKAA COC(=O)c1cc(CSc2nc3ccc(Cl)cc3[nH]2)c(Cl)s1 2325863742 VKBBOOOXBGZFKI-UHFFFAOYSA-N 373.286 5.010 0 50 FKAA CCC(=O)c1ccc(OC(=O)c2ccc(COc3ccccc3)cc2)cc1 1141149 WPVPHQLJLUPAPT-UHFFFAOYSA-N 360.409 5.078 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 4011868 VVVQCDVWEQZSIK-UHFFFAOYSA-N 361.485 5.421 0 50 FKAA Clc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3cccs3)C2)cc1 4718912 JWSJAFRPNCQMTG-GOSISDBHSA-N 373.308 6.411 0 50 FKAA c1ccc(C2=Nc3ccccc3[C@H](c3ccccc3)N2c2ccccc2)cc1 5332028 MIFXYDFGCPXPRL-VWLOTQADSA-N 360.460 6.375 0 50 FKAA Cc1c([C@H](C)NCc2cccc(-c3ccco3)c2)cnn1-c1ccccc1 12571764 CLJCRPBTFTUPCP-KRWDZBQOSA-N 357.457 5.292 0 50 FKAA Fc1cccc(Cl)c1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN12 25781674 HCXWBAZKODSCAK-UZLBHIALSA-N 368.795 5.314 0 50 FKAA CCN(CC(F)(F)F)c1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C 44123676 VTGOSTHYFSGTAS-UHFFFAOYSA-N 366.427 5.805 0 50 FKAA Cn1c(OCC(C)(C)c2ccc(Cl)c(Cl)c2)nc2ccc(F)cc21 1875326697 IFFHLZBILLXECT-UHFFFAOYSA-N 367.251 5.376 0 50 FKAA CC(C)(C)Oc1ccc(-c2cn(-c3cc(Cl)ccc3Cl)nn2)cc1 2325839790 FCPFTRGCQRARRY-UHFFFAOYSA-N 362.260 5.418 0 50 FKAA O=C(Nc1cccc(Cl)c1)Oc1c(Cl)cc(Cl)c2cccnc12 640619 HQBVERXYTLSGSJ-UHFFFAOYSA-N 367.619 5.806 0 50 FKAA O=C(NCc1ccco1)c1cc(-c2ccccc2Cl)nc2ccccc12 670967 MVEDGKXORTWRAU-UHFFFAOYSA-N 362.816 5.078 0 50 FKAA CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccccc1Cl 704152 XIRFNFDXRJWXGR-UHFFFAOYSA-N 365.882 5.029 0 50 FKAA CCC[C@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 819901 FLXZKXXLGLNOEG-GTNSWQLSSA-N 350.871 5.119 0 50 FKAA Cc1ccccc1NC(=O)C[C@@]1(Cc2ccccc2)CCOC(C)(C)C1 892494 LEUCOZHSMLRLQC-QHCPKHFHSA-N 351.490 5.142 0 50 FKAA Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccccc4F)cc3)o2)cc1 1063655 WWIHVNLXMWFNAE-UHFFFAOYSA-N 373.387 5.103 0 50 FKAA CCCN(CCC)C(=O)C[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1 1072565 GMAGIRQJBVVHDZ-QHCPKHFHSA-N 367.533 5.644 0 50 FKAA biogenic COc1ccc(/C=C(/C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1 1150792 AZGJULLBBONKHR-LTGZKZEYSA-N 373.452 5.192 0 50 FKAA Cc1cc(Sc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 1694482 MQWCQFCZUNBTCM-UHFFFAOYSA-N 358.547 6.461 0 50 FKAA Cc1cc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)no1 2745714 UCXXECALEHBWAJ-UHFFFAOYSA-N 369.833 5.165 0 50 FKAA Oc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)cc1-c1ccccc1 3107066 GQBZYDINFSSIAS-UHFFFAOYSA-N 356.852 7.047 0 50 FKAA CC[C@@]1(C)C[C@](CCNCc2ccccc2)(c2ccc(C)cc2)CCO1 4028086 ZIRNGNXKDWRMQW-BJKOFHAPSA-N 351.534 5.392 0 50 FKAA biogenic CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 4651162 NWQARWPTYZKZFX-GPUVRGFBSA-N 369.549 5.184 0 50 FKAA Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl 4798666 JSVSFYWXXNKBJV-UHFFFAOYSA-N 369.895 6.305 0 50 FKAA CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2ccccc12 4909787 BSYAMTMKRGNHEY-UHFFFAOYSA-N 352.437 5.174 0 50 FKAA Cc1sc(NC(=O)CSc2ccc(Cl)cc2)nc1-c1ccccc1 4978086 GQUCGRKKEDZDIY-UHFFFAOYSA-N 374.918 5.503 0 50 FKAA CC(C)c1ccc(OC[C@H](C)N[S@](=O)c2ccc3ccccc3c2)cc1 8462570 CNSKUMVSTFPOLQ-QLXKLKPCSA-N 367.514 5.043 0 50 FKAA CCc1ccc(Oc2ccc(-c3nn(-c4ccccc4)cc3CO)cc2)cc1 43573884 MKWKHDZWCYKDJV-UHFFFAOYSA-N 370.452 5.386 0 50 FKAA C[C@H]1C(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 245312898 YOCSCRSTBWZYLM-GWIYSAMLSA-N 350.289 5.012 0 50 FKAA CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2cc(Cl)ccc21 408713214 OIKLXQMDMFIDQU-UHFFFAOYSA-N 368.864 5.051 0 50 FKAA Clc1ccc2nc(N[C@H]3CCCN(Cc4cccs4)C3)ccc2c1 1529189722 VOPYKXBWGLDKHS-INIZCTEOSA-N 357.910 5.026 0 50 FKAA COCCCc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1 1875340236 REDJZJLUGWMFLT-UHFFFAOYSA-N 359.878 5.835 0 50 FKAA Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 631182 IAPHSZIXFIJGEP-SJORKVTESA-N 359.260 5.040 0 50 FKAA CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(C)(C)C)c3)nc2c1 724725 FHRLXUMFGZBIKJ-CQSZACIVSA-N 350.462 5.993 0 50 FKAA O[C@@]1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)c2ccccc21 2159808 ADZZBNYBYSNNGJ-HHHXNRCGSA-N 360.456 5.895 0 50 FKAA CC1=CC(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1 2825728 CJVAZUVGTCTIRX-QGZVFWFLSA-N 351.755 5.393 0 50 FKAA O=C(O)c1c(Br)sc(-c2ccccc2)c1-c1ccccc1 3000203 KLFUTFCZYNDTCA-UHFFFAOYSA-N 359.244 5.543 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)Cc3ccccc3OC)ccc21 3003423 WCXCUSJTPRCNTC-UHFFFAOYSA-N 358.441 5.004 0 50 FKAA Cc1c(Cl)ccc(NC(=O)c2cc(F)c(F)cc2Cl)c1Cl 4698418 JKYOSCLCJFRKMC-UHFFFAOYSA-N 350.579 5.486 0 50 FKAA CC(=O)Oc1cccc2ccc(/C=C/c3ccc(Cl)c(Cl)c3)nc12 4986005 RMLBSOWOUXZMFD-VMPITWQZSA-N 358.224 5.637 0 50 FKAA CCC/C=C/CN1CCC[C@H]1c1ccc(C(=O)Nc2c(C)noc2C)s1 20781519 MZCFZWOZKRWDAK-MOEXGYKKSA-N 373.522 5.098 0 50 FKAA O=C(O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 168174301 HLZNOJRSHYTLRA-QHMOAEBESA-N 353.849 5.335 0 50 FKAA CCCCN(C(=O)OCc1ccccc1)c1ccc(Br)cc1 261493855 KUFWIVYSFZLOKU-UHFFFAOYSA-N 362.267 5.392 0 50 FKAA Cc1nc([C@@H](C)N(C)C(=O)CCc2ccc(-c3cccs3)o2)c(C)s1 952970049 CCINXTFBPKUAIZ-GFCCVEGCSA-N 374.531 5.234 0 50 FKAA Clc1ccc2c(c1)sc1nc(-c3ccccc3Br)cn12 1199509 FLBFTKGETVVDIY-UHFFFAOYSA-N 363.667 5.632 0 50 FKAA CCCCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1801419 LIZGVNJXSDRAPA-UHFFFAOYSA-N 373.452 5.563 0 50 FKAA CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 2190828 PQYZGEIVKIBSPR-UHFFFAOYSA-N 365.256 5.331 0 50 FKAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(C)cc3)ccc12 2853270 BGDPSRPITOZNCT-UHFFFAOYSA-N 364.441 5.014 0 50 FKAA O=C(Nc1ccccc1Cl)c1cc2cc(Br)ccc2o1 4856091 BAVMJWMNFMODAM-UHFFFAOYSA-N 350.599 5.101 0 50 FKAA Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 13027633 AITNDJBOFFFHIX-YLJYHZDGSA-N 366.873 5.644 0 50 FKAA Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798830 UKQKOERJIORDSG-UHFFFAOYSA-N 360.436 5.513 0 50 FKAA CC(C)Cc1ccc(-c2cc(C(=O)O)n(-c3ccccc3Cl)n2)cc1 25763228 MDMTUMZCDMTAPL-UHFFFAOYSA-N 354.837 5.089 0 50 FKAA NC[C@@H](OCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl 83324630 YEFWMFSHHWNWBA-OAHLLOKOSA-N 365.087 5.517 0 50 FKAA O=c1[nH]c([C@@H]2CCCCS2)nc2scc(-c3ccccc3Cl)c12 225574138 ITYGGYOLLLDDMR-ZDUSSCGKSA-N 362.907 5.263 0 50 FKAA CCOc1cc(CC[C@@H](C)O)ccc1OCc1cccc2ccccc12 1875357977 DTZDJXHQDKZOBC-QGZVFWFLSA-N 350.458 5.131 0 50 FKAA CC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 955030 QPPNVFQOYOFIPE-NTCAYCPXSA-N 371.436 5.120 0 50 FKAA Cc1c(Br)cc(C(=O)Oc2cccc3cccnc23)c(C)c1C 1156590 WTAHRNBCZHFEHE-UHFFFAOYSA-N 370.246 5.142 0 50 FKAA Cc1ccc([C@@]2(CCN[C@@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 1177039 XKIIMXKOMFCIEX-RDPSFJRHSA-N 351.534 5.563 0 50 FKAA biogenic CC/C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 1530690 NKANXQFJJICGDU-OCEACIFDSA-N 371.524 5.996 0 50 FKAA investigational CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2Cc1ccccc1 2870879 NAUSISDNCPRLIU-UHFFFAOYSA-N 369.552 7.438 0 50 FKAA CCCCc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 2975938 VONQIGLQJRLUNW-UHFFFAOYSA-N 362.267 5.053 0 50 FKAA Cc1cccc(Oc2coc3cc(OC(=O)CC(C)(C)C)ccc3c2=O)c1 4043284 DXCCBKYSGAYOQT-UHFFFAOYSA-N 366.413 5.235 0 50 FKAA C[C@H](O)C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5368243 HOEXQFSKTQPSOY-FQEVSTJZSA-N 366.484 5.356 0 50 FKAA C[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cc(Cl)ccc2Cl)C1 6764151 VZYGNZJPKGBBGS-MRVPVSSYSA-N 355.290 5.014 0 50 FKAA CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3)nc21 20603578 SQUUSJHWOSOZSV-JTQLQIEISA-N 361.417 5.030 0 50 FKAA C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](C)c1ccccc1C(F)(F)F 1875306021 PRKJSCWZXXLUGN-RYUDHWBXSA-N 370.802 5.673 0 50 FKAA Cc1ccccc1C[C@@H](CO)CN[C@@H](CC(C)C)c1ccc(Cl)cc1 2325842304 UFLIDLJUMYVEHH-GCJKJVERSA-N 359.941 5.176 0 50 FKAA Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 1108551 LYDIMBYXENDLMY-UHFFFAOYSA-N 373.481 5.269 0 50 FKAA aggregator CCOC(=O)c1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1112776 CKTMMZPVWAILRL-QFIPXVFZSA-N 373.452 5.290 0 50 FKAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccccc2)cc1 1177660 SPJYDWCQAQHPMT-UHFFFAOYSA-N 354.409 5.067 0 50 FKAA O=C1C(Nc2ccc(F)cc2F)=C2CCCC=C2N1c1ccc(F)cc1F 1423031 XBSAZRDUCHLTDU-UHFFFAOYSA-N 374.337 5.024 0 50 FKAA CC(C)(C)c1cc(C(=O)Oc2cccc3cccnc23)cc(C(C)(C)C)c1 2593115 ZCQQWGAUIZMYLV-UHFFFAOYSA-N 361.485 6.049 0 50 FKAA C[C@H](CCc1ccc(O)cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 2894088 QLPAJZWONBXDTG-UZUQRXQVSA-N 365.904 5.746 0 50 FKAA COc1cc(C)ccc1OCCCCOc1c(Cl)cccc1Cl 2991240 LKRMPSUILFFJHE-UHFFFAOYSA-N 355.261 5.548 0 50 FKAA Cc1nn2c(N3CCCCC3)cc(-c3ccccc3)nc2c1-c1ccccc1 27584954 OQLDQYJFDXKKNS-UHFFFAOYSA-N 368.484 5.362 0 50 FKAA Cc1ccc2oc(C(=O)N(Cc3ccc(C)o3)c3ccccn3)c(C)c2c1 28251724 VGNLUNWSRXWULB-UHFFFAOYSA-N 360.413 5.193 0 50 FKAA c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 28879084 XNFHHOXCDUAYSR-SFHVURJKSA-N 371.440 5.148 0 50 FKAA in-vitro CC(C)(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 257349179 MENHVRZEYBHNIS-GBPXDZCSSA-N 374.565 5.556 0 50 FKAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)cc1 805621 YGSWUTYMGUSJET-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA CC(=O)Nc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1 863712 YWCDWFFGWLBASV-UHFFFAOYSA-N 355.397 5.048 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1C[C@H]1c1ccccc1 1113842 UQMKOYGWURFPAN-JKSUJKDBSA-N 354.862 5.206 0 50 FKAA Cc1c(NC(=O)c2ccccc2)cccc1-c1nc2cc(Cl)ccc2o1 1211645 XWTMJAQUDRIWAH-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CC(C)(C)c1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 2056540 RIMXDWKSAXRQAS-UHFFFAOYSA-N 360.453 5.782 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 2379736 DWQFWFLYUHJTKH-UHFFFAOYSA-N 373.239 6.430 0 50 FKAA O=C(CCSCc1ccccc1Cl)NCc1ccc(F)cc1Cl 2953808 DMSGRYSUHBGNCM-UHFFFAOYSA-N 372.292 5.072 0 50 FKAA Fc1ccc(-c2csc3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1 5313463 IDSVOLYZIPIZID-UHFFFAOYSA-N 370.452 6.536 0 50 FKAA CC(C)C(=O)N(Cc1cccc(OCc2ccc(F)cc2)c1)C1CCCC1 12281187 CUGOQYLERYFCMV-UHFFFAOYSA-N 369.480 5.332 0 50 FKAA O=C(NC[C@@H]1C[C@@H]1c1cccs1)c1cc(-c2ccc3ccccc3c2)on1 1857799152 PBPLUZTZKCWFAV-ROUUACIJSA-N 374.465 5.090 0 50 FKAA O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1738662 RIEYGJHONRBCAJ-SDNWHVSQSA-N 361.828 5.223 0 50 FKAA Cc1cc(C)c(C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c(C)c1 2855238 ZJCQYEKDCIXSCQ-UHFFFAOYSA-N 368.436 5.560 0 50 FKAA Cc1ccc(SCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 2984814 QRWVDCINZWLPCI-CQSZACIVSA-N 365.951 5.038 0 50 FKAA Cc1ccsc1/C=C/c1nc(-c2ccccc2O)n(-c2ccccc2)n1 3906355 AOJRCRXAEFZHMR-VAWYXSNFSA-N 359.454 5.180 0 50 FKAA O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCCc2ccccc21 4144689 UBNOVHSGGCEKAW-UHFFFAOYSA-N 370.477 5.556 0 50 FKAA COc1cccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c1OC(C)C 4488805 SOQKAENJHOPTQY-LJQANCHMSA-N 361.441 5.110 0 50 FKAA CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CCC[C@@]4(C)[C@@H]3CC[C@]21C 230044424 VOYKELMCSUDIBK-MPZCEMEZSA-N 368.649 8.050 0 50 FKAA Cc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)cc1 628772 YUPHEXFDYIXOOD-UHFFFAOYSA-N 350.468 5.085 0 50 FKAA O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CCCc2ccccc21 630676 ZJVKRCUAVHHVPP-UHFFFAOYSA-N 370.663 5.005 0 50 FKAA O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CC1 638755 WHVXUFPCLDCGAD-GOSISDBHSA-N 351.298 6.196 0 50 FKAA CCOc1cc(-c2nc3ccccc3s2)cc(Br)c1OC 687657 MTTWGITVCSZUQI-UHFFFAOYSA-N 364.264 5.133 0 50 FKAA O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCC1=CCCCC1 1115878 MHAZDILHKLOSJN-UHFFFAOYSA-N 362.684 5.032 0 50 FKAA CCCn1c2ccccc2c2nnc(SCc3ccccc3Cl)nc21 1176709 QQJMUPJHFPWFRF-UHFFFAOYSA-N 368.893 5.335 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1236188 RTJVVHWZPXVSSJ-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN23)cc1 1453752 IPFAHQMMJIBHEM-NQIIRXRSSA-N 364.832 5.484 0 50 FKAA O=C(Nc1ccccc1Cl)Oc1ccc(Cl)cc1Cc1ccccc1 1738601 WHPHRPRZHJIOBO-UHFFFAOYSA-N 372.251 6.195 0 50 FKAA O=C(Nc1cc(Cl)ccc1O)Nc1cc(C(F)(F)F)ccc1Cl 1752617 OUDXRNQPVSMGDW-UHFFFAOYSA-N 365.138 5.362 0 50 FKAA in-vitro O=C1c2ccccc2C(=Cc2ccc(Cl)c(Cl)c2)c2ccccc21 2162197 RLQCHEITEPTTMS-UHFFFAOYSA-N 351.232 6.127 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)/C(=C\c1ccccc1)c1ccccc1 2827764 CZYALNHZBTYMHY-SDXDJHTJSA-N 367.370 5.885 0 50 FKAA CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 2852946 RQWUHNDJIWPZLK-LLVKDONJSA-N 369.317 5.440 0 50 FKAA Cc1nc(C(=O)c2ccccc2C(F)(F)F)cc2c1[nH]c1ccccc12 4952695 UQDWWKLZKPYPDD-UHFFFAOYSA-N 354.331 5.274 0 50 FKAA CCCC(=O)c1ccc(OCC(=O)c2ccc3oc4ccccc4c3c2)cc1 4978486 NPSNRGQZLLXRDV-UHFFFAOYSA-N 372.420 5.831 0 50 FKAA CCCCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 6042729 UHZXFDIKLFRUPJ-UHFFFAOYSA-N 355.821 5.432 0 50 FKAA COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 27332989 ZCCMKJAXOIFTHH-UHFFFAOYSA-N 352.437 5.838 0 50 FKAA in-vitro Oc1nc2cc(Cl)ccc2c(-c2ccccc2)c1CN1CCCCC1 170619463 VECIVJDKAHJPNM-UHFFFAOYSA-N 352.865 5.247 0 50 FKAA O=S(=O)(NCC(C1CCCC1)C1CCCC1)[C@H]1CCC2(CCCC2)C1 2325817697 NIKZYMOFRKRSET-IBGZPJMESA-N 367.599 5.015 0 50 FKAA CCC[C@@H](N[C@H](CO)c1ccccc1)c1ccc(Oc2ccccc2)cc1 2325822403 VLBVQVAIOOHALV-DNQXCXABSA-N 361.485 5.643 0 50 FKAA CCOc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1ccc(F)cc1)N2 678112 FBELDLAJAXNQFK-VQTJNVASSA-N 357.425 5.022 0 50 FKAA COc1cccc(NC(=O)[C@@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)c1 754637 OUUQDZGQPYSQEE-QHCPKHFHSA-N 371.480 5.257 0 50 FKAA Fc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1Cl 947680 DEXKIQFSFBAJRJ-UHFFFAOYSA-N 356.809 5.943 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c(Cl)c1 1161515 QGHNKMMXSNXDEU-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA O=C1OC(c2cccs2)=N/C1=C\c1ccc(-c2cccc(Cl)c2)o1 1193688 CUDPVTDJIKMCQP-UVTDQMKNSA-N 355.802 5.006 0 50 FKAA O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccco1 1204383 DZEHIQQEZNWPTO-UHFFFAOYSA-N 373.195 5.647 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)Oc1ccc(Cl)cc1Cl 1640295 LZMYPWITUARMGS-UHFFFAOYSA-N 350.123 5.623 0 50 FKAA Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)c2ccc(F)cc2n1 82157300 BXYOWWQLKVIZBS-LJQANCHMSA-N 352.409 5.033 0 50 FKAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@](C)(Cc1ccccc1)[Si](C)(C)C 169831395 SICQZWJSRMADLT-ZVXPMLRVSA-N 374.641 6.332 0 50 FKAA CCN(CC)c1ccc(Nc2nc(-c3ccc(OC)cc3)cs2)cc1 948694 AVJCBQUSAKUUIP-UHFFFAOYSA-N 353.491 5.409 0 50 FKAA CCOc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 1054685 FUZCPIJUECOBTP-NSQNTRMNSA-N 369.464 5.321 0 50 FKAA Cc1cc(O[C@@H](C)c2ccccc2)c2c(-c3ccccc3)cc(=O)oc2c1 2812023 WVKRQRKKXLPVRR-KRWDZBQOSA-N 356.421 5.908 0 50 FKAA COc1ccc([C@@H](CC(=O)c2ccccc2)Nc2cccc(Cl)c2)cc1 2840292 XRXTZJAJTMOSRF-OAQYLSRUSA-N 365.860 5.775 0 50 FKAA CC[C@@H](C)c1ccc([C@@H](CC)NC(=S)Nc2ccc3c(c2)OCO3)cc1 2853723 CKEKQRLYNKXZJM-RDTXWAMCSA-N 370.518 5.367 0 50 FKAA Cc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)c(C)c1 5032534 SXVAMKQKXMIZMG-XMMPIXPASA-N 358.529 5.850 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 5713945 LGVLEMNOYHDUPC-UHFFFAOYSA-N 365.738 5.871 0 50 FKAA CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)C2CCC2)cc1 12075776 GGEWKKQNAACZEJ-QHCPKHFHSA-N 358.485 5.005 0 50 FKAA CC(C)n1ccnc1-c1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1 299778247 PKKMSMBSFKKOBS-OAQYLSRUSA-N 359.473 5.108 0 50 FKAA CCCCC(C(=O)N1CCCCCCC1)(c1ccccc1)c1ccccc1 2325817570 BTQONQCGNRITON-UHFFFAOYSA-N 363.545 5.956 0 50 FKAA COc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 853332 XRMRWOARCKBQNU-UHFFFAOYSA-N 351.258 5.869 0 50 FKAA Cc1cc2ncn(-c3ncnc4scc(-c5ccccc5)c34)c2cc1C 952994 JQSJRYIIMMVOBB-UHFFFAOYSA-N 356.454 5.314 0 50 FKAA Cc1cccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)c1 1140254 AXEHEDLWFHIURT-GOSISDBHSA-N 366.464 5.701 0 50 FKAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1141299 UAYCTTRBEBSTIO-HNNXBMFYSA-N 357.759 5.155 0 50 FKAA O=C(O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1397230 PHLNMNRVMBDTSX-UHFFFAOYSA-N 350.226 5.482 0 50 FKAA Clc1cccc(CSc2nnc(SCc3ccccc3)s2)c1 1820896 SPXQVFVOXLDEGB-UHFFFAOYSA-N 364.948 5.776 0 50 FKAA CCCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@H](C)C2 2085416 LSMHJHUORDDCRA-AWEZNQCLSA-N 371.502 5.000 0 50 FKAA CC(C)(C)c1cc(C2SCCCS2)ccc1OC(=O)c1cccnc1 2597131 PEFRTRUYTCXWTO-UHFFFAOYSA-N 373.543 5.467 0 50 FKAA CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)[C@@]1(O)CCC 229943212 UCLGIKKXOIONJU-HOTKZRPMSA-N 351.534 5.656 0 50 FKAA C[C@@H](CCCc1cccnc1)NC(=O)N[C@H](C)c1cc2ccccc2s1 1875307558 QLHTUXDAYSQMKI-JKSUJKDBSA-N 367.518 5.068 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)cc1C 671666 IDBSBQVIDRVWJK-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)NC1CCCCC1 852649 KWWQJROKPOOZHQ-DYESRHJHSA-N 363.505 5.481 0 50 FKAA CC(C)(C)C(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 947020 NOTUXYXCXZTWHT-UHFFFAOYSA-N 356.805 5.065 0 50 FKAA CN(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1158779 LWXNFOQRZHDXQI-UHFFFAOYSA-N 359.292 5.209 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 1703590 GGOCWGTWYKGEGD-UHFFFAOYSA-N 352.604 5.560 0 50 FKAA CC1=CC(C)(C)N(C)c2ccc([C@@]3(C)CC(C)(C)N(C)c4ccccc43)cc21 2193665 NJKVMHDSHINWMM-AREMUKBSSA-N 374.572 6.243 0 50 FKAA O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 2293347 FFQGRSLSJRHXOP-UHFFFAOYSA-N 367.235 5.360 0 50 FKAA CCCc1cc(C(=O)Nc2ccc(Br)cc2Cl)cs1 2738242 ASBUSKXUYBHLKP-UHFFFAOYSA-N 358.688 5.369 0 50 FKAA COc1ccc(C)cc1NC(=O)c1ccc(COc2cccc(Cl)c2)o1 2759889 JTOQAXZSAUSNQA-UHFFFAOYSA-N 371.820 5.081 0 50 FKAA Cc1ccc(C(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1C 2842979 NTOLKRKNMCMHLO-UHFFFAOYSA-N 368.436 5.175 0 50 FKAA O=C(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)cc1Cl 4542445 KYNDQUPFHVSZMK-UHFFFAOYSA-N 356.252 5.837 0 50 FKAA O=C(CCc1ccccc1)Nc1cc(Cl)ccc1OCc1ccccc1 4870050 BSMKEBRXIWWGAW-UHFFFAOYSA-N 365.860 5.490 0 50 FKAA c1ccc(-c2cc(-c3nnc(-c4cccnc4)o3)c3ccccc3n2)cc1 6344746 WAMHZTKYIRBNHB-UHFFFAOYSA-N 350.381 5.014 0 50 FKAA O=C(c1cccc(-c2ccc(OC(F)F)cc2)c1)N1C[C@H]2CCC[C@@H](C2)C1 1565512312 RPCMMAPHEYODMG-HOTGVXAUSA-N 371.427 5.217 0 50 FKAA Cc1ccccc1C(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 1875303830 PFGNJQMTAKUTRY-UHFFFAOYSA-N 356.878 5.256 0 50 FKAA Cc1c(COC(=O)Cc2csc(-c3ccccc3)n2)oc2ccccc12 2325852616 MQDJWSUJZGJTPD-UHFFFAOYSA-N 363.438 5.151 0 50 FKAA CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(F)cc1 1184064 JHUNFVCMYRSIKU-UHFFFAOYSA-N 374.868 5.807 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2)cs1 1200146 ZVEIMEWQSLJRLQ-UHFFFAOYSA-N 364.257 5.761 0 50 FKAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2OC)C1 2558467 QDTXVFLCTZQACX-ZDUSSCGKSA-N 372.534 5.132 0 50 FKAA c1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 4117137 KYRXLTFQPJPZDS-VWLOTQADSA-N 363.460 6.119 0 50 FKAA Cc1ccc(C2=NN(c3ccc(F)cc3F)[C@H](c3cccs3)C2)cc1 4614191 SRQPGZZEJCDDOI-IBGZPJMESA-N 354.425 5.690 0 50 FKAA O=C1C[C@H](c2cccc(Cl)c2Cl)c2ccc3c(O)cccc3c2N1 4913771 BGLHRAOWIVXNAV-CQSZACIVSA-N 358.224 5.326 0 50 FKAA Cc1ccc(-c2c(C)nn3c(N[C@@H](C)c4ccccc4)cc(C)nc23)cc1 27585834 ZSXJSRDYIIRVJS-KRWDZBQOSA-N 356.473 5.495 0 50 FKAA CC1(C)C2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)Cc2cnoc21 58662353 AXLOCHLTNQDFFS-CYGATMAPSA-N 355.522 5.038 0 50 FKAA biogenic CCN1[C@H]2Oc3ccc4ccccc4c3[C@H]1Oc1ccc3ccccc3c12 100152713 KJRFUKZQUIVQNI-PSWAGMNNSA-N 353.421 5.797 0 50 FKAA C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)OC[C@@H]1CCC(C)(C)C1 1875342878 LLWCVJDMCOOLOL-DLBZAZTESA-N 367.489 5.214 0 50 FKAA O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)C1CCCCC1 1144694 ZMDPSAFTQDHXQH-UHFFFAOYSA-N 367.880 5.257 0 50 FKAA CCc1cc(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12 1156001 ATNYPVRVQXMNEK-UHFFFAOYSA-N 369.214 5.531 0 50 FKAA O=C(Oc1ccc(-c2nccc(-c3cccs3)n2)cc1)c1ccccc1 4060766 LZZPGFMFPMJBIU-UHFFFAOYSA-N 358.422 5.091 0 50 FKAA CCCCc1ccc(NC(=O)c2cccc(NC(=O)C(CC)CC)c2)cc1 4704413 ZRJHCTKLWODIBE-UHFFFAOYSA-N 366.505 5.656 0 50 FKAA COc1ccccc1-c1c(C)nn2c(N[C@H](C)c3ccccc3)cc(C)nc12 5346036 CYEMDGVCPCKPNE-MRXNPFEDSA-N 372.472 5.195 0 50 FKAA COc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1 5720598 ZCAIWNHPCDNMGQ-SFTDATJTSA-N 351.833 5.579 0 50 FKAA Fc1ccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)cc1 20603080 RNKLKSXGNVFDST-UHFFFAOYSA-N 357.310 5.303 0 50 FKAA Cc1c([C@H](C)NCc2ccccc2C(F)(F)F)cnn1-c1ccccc1 55244011 ISRHRDIMBDXWLQ-AWEZNQCLSA-N 359.395 5.050 0 50 FKAA Cc1ccc(F)c(-c2c(-c3ccccc3)ncn2CC2CCOCC2)c1 65431187 INGFKLXFXGTTTJ-UHFFFAOYSA-N 350.437 5.091 0 50 FKAA COc1cc(OCc2ccccc2)cc2oc(-c3ccccc3)cc(=O)c12 217825316 GOTINPUMXAEBIX-UHFFFAOYSA-N 358.393 5.048 0 50 FKAA CN1c2ccccc2C(C(=O)Sc2ccc(Cl)cc2)c2ccccc21 1911530960 BLLSHILJEIIPRV-UHFFFAOYSA-N 365.885 5.872 0 50 FKAA COc1cc(C)c(C[C@H](C)N[C@@H](C)c2cccc(C3CC3)c2)cc1OC 2325829235 CRYDICBACFPFQN-IRXDYDNUSA-N 353.506 5.171 0 50 FKAA O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 1173002 BTNIKBCEOLQXCF-UHFFFAOYSA-N 359.800 5.231 0 50 FKAA CCC(=O)N(CC[C@@H](Cc1ccccc1)c1ccco1)Cc1ccco1 2102580 OWDIDYHPPQNBSA-IBGZPJMESA-N 351.446 5.028 0 50 FKAA biogenic CCCCCN(CCCCC)[C@H](O)c1cc2c(c3ccccc13)CCCC2 2162187 QJUCMOPLCNJRMU-RUZDIDTESA-N 367.577 6.392 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1C 3002398 YNLHLFPSNZUSHF-UHFFFAOYSA-N 372.493 6.141 0 50 FKAA CCCC1CCC(c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1 3900771 YPQHKDMNGXFXAC-UHFFFAOYSA-N 360.501 6.786 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=C(C)C[C@H]32)C1 4074056 NELMHAIFXJZDST-KXNGWZAWSA-N 370.533 5.396 0 50 FKAA biogenic CC(C)c1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 6359020 IRONTBBKNNQMMC-UHFFFAOYSA-N 372.512 6.154 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 12404022 CRRKVZVYZQXICQ-FUGAYHEQSA-N 358.522 5.086 0 50 FKAA biogenic,in-vitro Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 25572854 FHXPSLZXKSNXPY-IFMALSPDSA-N 362.379 5.207 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1ccccn1 169743736 GYUURHMITDQTRU-UHFFFAOYSA-N 368.153 5.138 0 50 FKAA O=C(N1CCc2ccccc2C1)N1c2ccccc2Sc2ccccc21 719589 IWDPSODVCRLTOH-UHFFFAOYSA-N 358.466 5.468 0 50 FKAA Cc1cccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 1773826 IIBCWOVEPSTDKD-UHFFFAOYSA-N 371.786 5.465 0 50 FKAA O=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1 2510376 GTHWSUBRNKNAHS-UHFFFAOYSA-N 367.448 6.317 0 50 FKAA Cc1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 2869385 YGZPRTYHWBDQGP-UHFFFAOYSA-N 361.510 5.526 0 50 FKAA CC(C)(C)c1ccc(O)c(NC(=S)Nc2ccc(Cl)cc2Cl)c1 17075694 LHTBQXHLUFXVNA-UHFFFAOYSA-N 369.317 5.805 0 50 FKAA C[C@@H](CN1CCC[C@H](c2n[nH]cc2-c2ccccc2F)C1)c1ccccc1 43041431 AEPSUSITXGCDER-HKUYNNGSSA-N 363.480 5.199 0 50 FKAA O[C@](c1ccccc1)(c1cccs1)[C@@H](c1ccccc1)c1ccccn1 71767143 WBLWRRKGSJSNGM-XZOQPEGZSA-N 357.478 5.211 0 50 FKAA CCCC[C@H](CC)Cn1c2ccccc2c2cc(Br)ccc21 139961988 NWUMJBPNVXDEDB-HNNXBMFYSA-N 358.323 6.773 0 50 FKAA CSc1ccc(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 640911 GPUZYIGAZKUYFP-UHFFFAOYSA-N 362.665 5.980 0 50 FKAA COc1cccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 989812 QBYJHNGXOPDFJP-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)NC1CCCCC1 1175137 MOEQWKBLSBMSHU-UHFFFAOYSA-N 371.868 5.047 0 50 FKAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@@H](C)C[C@H](C)C1 1214432 QCNFTRLIHFZUGX-QWRGUYRKSA-N 367.276 5.075 0 50 FKAA CCCCOc1cccc(NC(=O)CSc2ccc3ccccc3n2)c1 3001523 MQMCCAKVEXZUEB-UHFFFAOYSA-N 366.486 5.145 0 50 FKAA COc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1 4872353 ABZIHPOQAJFNOC-UHFFFAOYSA-N 370.408 5.118 0 50 FKAA CO[C@@H](Cn1cnc(-c2ccccc2)c1-c1nccs1)c1cccs1 65526147 BDORYNPPXGLILB-HNNXBMFYSA-N 367.499 5.123 0 50 FKAA CCC[C@H](N[C@H]1CCC[C@@H]1CCO)c1ccc(Oc2ccccc2)cc1 2325822269 NKZHDOLKHHWVNJ-LEOXJPRUSA-N 353.506 5.461 0 50 FKAA O=C(NC1CCCCCCC1)c1ccc(COc2ccc3c(c2)CCC3)o1 1083442 VBFUJKIECARPAW-UHFFFAOYSA-N 367.489 5.190 0 50 FKAA CC(C)C(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 1205063 OELXKYADVFTWTJ-UHFFFAOYSA-N 356.425 5.756 0 50 FKAA CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccccc1 1454335 URJRKTWWFPDYKJ-UHFFFAOYSA-N 357.891 5.524 0 50 FKAA O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccco1 3337131 ANYRGNKODNUETI-UHFFFAOYSA-N 352.440 5.384 0 50 FKAA Nc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(Oc2ccccc2)c1 3879117 GPYLKHXJQGRZGD-UHFFFAOYSA-N 362.473 5.216 0 50 FKAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 4017201 URRRFTBVBWXHOX-UHFFFAOYSA-N 364.150 5.273 0 50 FKAA CCOc1ccc(Br)cc1/C=C/c1ccc2cccc(O)c2n1 4755348 NWPUJMDEYWPIHW-JXMROGBWSA-N 370.246 5.272 0 50 FKAA Cc1ccc(-[n+]2c(C(=O)O)cc(-c3ccccc3)cc2-c2ccccc2)cc1 5416880 ZWCXRJAIRWLDKD-UHFFFAOYSA-O 366.440 5.304 0 50 FKAA Cc1ccsc1-c1nc(CN(C)Cc2cccc3ncccc23)c(C)o1 11997194 JJYSFXGPYWCIDA-UHFFFAOYSA-N 363.486 5.200 0 50 FKAA O=C(c1cc(-c2cccs2)on1)N(C1CCCCC1)C1CCCCC1 20479886 XPBYOGDOOQUPFK-UHFFFAOYSA-N 358.507 5.511 0 50 FKAA c1ccc(CN(Cc2ccc([C@@H]3CCCO3)s2)Cc2nccs2)cc1 63846839 PWOVEEYHECRYGZ-SFHVURJKSA-N 370.543 5.259 0 50 FKAA Cc1noc(C)c1[C@@H](C)CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 153624085 YRAZCIYEHBZYKV-XOBRGWDASA-N 365.477 5.020 0 50 FKAA Cc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 685889 SPBAOJKXGSCCPN-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA CCC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1ccccc1 1131087 FWBGYWKXBRTCKT-JOCHJYFZSA-N 361.485 5.549 0 50 FKAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cc(Cl)ccc1Cl 1138997 VVOFKQOYDTWTHW-UHFFFAOYSA-N 369.679 5.499 0 50 FKAA COc1ccccc1NC(=O)[C@H]1CC1(c1cccc(C)c1)c1cccc(C)c1 1215012 JGGLHJGRNUCVFM-OAQYLSRUSA-N 371.480 5.257 0 50 FKAA CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2 1530697 KLBQZWRITKRQQV-MRXNPFEDSA-N 370.587 5.886 0 50 FKAA biogenic,fda CC(C)(C)[C@H]1CCc2c(C(=O)NCc3ccccc3Cl)csc2C1 2760381 OGMJURCUSFGXLJ-AWEZNQCLSA-N 361.938 5.483 0 50 FKAA O=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1 3155141 MNJRSZOZMGCUMS-UHFFFAOYSA-N 350.028 5.562 0 50 FKAA aggregator CC(C)CN(CC(C)C)C[C@@H](C)C(O)(c1ccccc1)c1ccccc1 5453897 OYCAUCUATIWFIF-OAQYLSRUSA-N 353.550 5.173 0 50 FKAA CCC[C@@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 5672029 SGRLWFXQKJWQHG-HKUYNNGSSA-N 356.853 5.018 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1 5739395 UBNLCKMPRDWXTI-UNMCSNQZSA-N 350.437 5.276 0 50 FKAA COc1cc(CN2CCCC2)ccc1Oc1cccc(C(F)(F)F)c1 71278611 BWWVAZJVHTWXME-UHFFFAOYSA-N 351.368 5.102 0 50 FKAA Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)c2ccccc2n1 675171 WZJFRXMPMDLASI-UHFFFAOYSA-N 366.420 5.420 0 50 FKAA CC[C@H](C)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 799268 KFNWZALXZCNFKC-LBPRGKRZSA-N 352.261 5.524 0 50 FKAA CC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 944668 AFKBIMWBFBVFJU-UHFFFAOYSA-N 360.438 5.662 0 50 FKAA CC[n+]1c(C)n(-c2ccccc2)c2cc(-c3ccc4ccccc4n3)ccc21 1122214 MZSZIXYTZHHCSB-UHFFFAOYSA-N 364.472 5.462 0 50 FKAA CC(C)Cc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1 1139050 HEXSBTTYVBHSAX-UHFFFAOYSA-N 366.486 5.026 0 50 FKAA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1c(Cl)cccc1Cl 2544867 YVBUNMRUDZHQFL-UHFFFAOYSA-N 374.054 5.058 0 50 FKAA O=C(Nc1ccc2nc(-c3ccc(O)cc3)sc2c1)C1CCCCC1 2734339 MJFMGBJHYHQXMJ-UHFFFAOYSA-N 352.459 5.188 0 50 FKAA Cc1cccc2sc(NC(=O)C3c4ccccc4Oc4ccccc43)nc12 2865451 HVELMGFBVFHJIR-UHFFFAOYSA-N 372.449 5.481 0 50 FKAA aggregator O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(F)c3)[C@H]12 3904185 OZYJOQMLIVLHOG-SIKLNZKXSA-N 359.425 5.606 0 50 FKAA Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)c1 42926008 RZXKACSUNIEBSH-SFHVURJKSA-N 374.463 5.077 0 50 FKAA Oc1cc(CSc2ccc(Cl)cc2)nn1-c1nc2ccccc2s1 100027669 RKTOMPMAPJCBGU-UHFFFAOYSA-N 373.890 5.133 0 50 FKAA Cn1c(SCc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 220981889 CLHGFVBCTJMMBK-UHFFFAOYSA-N 365.889 5.581 0 50 FKAA Cc1cccc(C)c1C(=O)Oc1cccc(OC(=O)c2c(C)cccc2C)c1 1857778042 TXZFMMSJIFWCCP-UHFFFAOYSA-N 374.436 5.359 0 50 FKAA C[C@@](OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 601258 VBSPHZOBAOWFCL-JOCHJYFZSA-N 357.925 5.496 0 50 FKAA in-man Cc1c(C)c(C)c(CSCC(=O)Nc2cccc(Cl)c2)c(C)c1C 625807 DRCCMCYBEMCKLT-UHFFFAOYSA-N 361.938 5.754 0 50 FKAA COc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 828051 DEQLMBYHDRGMNW-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA Cc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c(C)c1 828947 DJMVHVNGOUHCGS-UHFFFAOYSA-N 361.470 5.436 0 50 FKAA Clc1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)c(Cl)c1 948649 SYISKIXHFXNTKX-UHFFFAOYSA-N 370.239 5.809 0 50 FKAA Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2Cl)c2ccccc2)cc1 992938 OJVLHINVZVMIBR-OAQYLSRUSA-N 364.828 5.429 0 50 FKAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 1209624 CUMULSDIMHJUPR-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA FC(F)(F)c1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 1255311 NFQIVTLPIVZOIM-UHFFFAOYSA-N 366.346 5.454 0 50 FKAA COc1ccc(Cl)cc1NC(=O)CSCc1c(F)cccc1Cl 3017097 TVSZUXCREGBXDU-UHFFFAOYSA-N 374.264 5.013 0 50 FKAA Cc1ccc(NC[C@H](O)CN2c3ccccc3Sc3ccccc32)cc1 4817362 OHZWSYWBVLVKAG-SFHVURJKSA-N 362.498 5.071 0 50 FKAA Cc1cc(OCc2ccc(C(=O)Nc3ccccc3)cc2)ccc1Cl 4831969 CLANJWPVPRHYSD-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)Cc1ccccc1 12314070 WTPCDUTYEKFPEG-UHFFFAOYSA-N 360.379 5.301 0 50 FKAA CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 13325765 VMOBHIQTOLAZHN-UHFFFAOYSA-N 365.546 5.863 0 50 FKAA Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccccc3)cc(C(F)F)c12 20615492 ZVAGPKMEWXVDJI-UHFFFAOYSA-N 353.347 5.473 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCCC(F)(F)F 22016132 MIZIMAYIUQBWFA-UHFFFAOYSA-N 374.815 6.029 0 50 FKAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 494043196 YZBDHRDBHVLASP-CVEARBPZSA-N 367.798 5.121 0 50 FKAA O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(Cl)cc1 637871 RKRKYGPOCTXZGE-UHFFFAOYSA-N 363.269 5.293 0 50 FKAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCCCC1 642666 FCFIJLIUXSMFSF-UHFFFAOYSA-N 357.475 5.111 0 50 FKAA COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccccc1 973842 MYGFISYCTHMEQJ-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA CC(=O)c1ccc(OC(=O)c2ccccc2SCc2ccccc2)cc1 1140798 AOKIYXZGPPJKGN-UHFFFAOYSA-N 362.450 5.401 0 50 FKAA Cc1ccc([C@H](NC(=O)[C@@H](c2ccccc2)C(C)C)c2ccccc2)cc1 2362889 KLZOEACHXMZNNH-DNQXCXABSA-N 357.497 5.640 0 50 FKAA Cc1ccc(/N=c2/scc(C3CCCCC3)n2C2CCCCC2)cc1 102264937 IILYIEASJHHZSG-GHVJWSGMSA-N 354.563 6.643 0 50 FKAA CC(C)(C(=O)N1CC[C@@H]2CCCCC[C@@H]2C1)c1ccc(F)c(Cl)c1 2325825364 NLGMCDVAAHMNOM-LSDHHAIUSA-N 351.893 5.186 0 50 FKAA C[C@@H](c1ccc(C(F)(F)F)c(Cl)c1)N(C)CC12CCOC(C)(C1)C2 2325828133 ZSRCMKPPWPXUCC-CDEQTRAXSA-N 361.835 5.311 0 50 FKAA O=C(Nc1cnccc1-c1ccccc1)c1csc(C2CCCCC2)c1 2325840733 NMCUOCVCYDPXTP-UHFFFAOYSA-N 362.498 6.110 0 50 FKAA Cc1c(Br)cccc1NC(=O)c1ccc(-c2ccccc2)o1 636829 FEALYELPEJSZFK-UHFFFAOYSA-N 356.219 5.270 0 50 FKAA Cc1ccc(C)c(COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c1 639040 LILFVFZAFNJJOO-UHFFFAOYSA-N 354.833 5.131 0 50 FKAA Fc1cccc(F)c1CSc1nnc(-c2ccco2)n1-c1ccccc1 714534 KJVMHTJTVDQVBW-UHFFFAOYSA-N 369.396 5.098 0 50 FKAA O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)NC1CCCCC1 1114007 AUJFZIFWXOSLGQ-GOSISDBHSA-N 357.881 5.017 0 50 FKAA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 2053540 IRKGUKXIAPCZNF-SANMLTNESA-N 369.508 5.751 0 50 FKAA Cc1cccc(-c2c[nH]nc2C2CCN(Cc3ccc(F)cc3F)CC2)c1 19229320 HXNRNKORWPXUHX-UHFFFAOYSA-N 367.443 5.043 0 50 FKAA CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@H]2c3ccc(OC)cc3CC[C@@H]12 19899055 WVDKBHOKKLQPOC-ZYQDXHPFSA-N 362.513 5.880 0 50 FKAA COc1cc(NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)cc(OC)c1 35561758 LSCKZNUOIIKSPX-OAQYLSRUSA-N 368.477 5.161 0 50 FKAA CCCC[Sn](/C=C/C(C)C)(CCCC)CCCC 169836043 DANAMCMNHZHSEF-UHFFFAOYSA-N 359.186 6.587 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 257356146 GFHOQCXDABGYAL-WBXRMKMLSA-N 360.538 5.166 0 50 FKAA Cc1cc2oc(C(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c2cc1Cl 334162454 NYJLFNPGWQIRHY-UHFFFAOYSA-N 367.788 5.062 0 50 FKAA O=C(Nc1ccccc1Cl)N(Cc1ccccc1)Cc1ccccc1 640506 PTRJYXNRJUCICR-UHFFFAOYSA-N 350.849 5.574 0 50 FKAA CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C)Cc2c[nH]c3ccccc23)cc1 753792 YHYIXRWFLNNBGZ-QZTJIDSGSA-N 362.517 5.217 0 50 FKAA biogenic Clc1ccccc1CSc1nnc(-c2ccco2)n1-c1ccccc1 867598 ONEQDMBDZYGFBO-UHFFFAOYSA-N 367.861 5.473 0 50 FKAA O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc2ncccc12 1065318 UQAHHMJCYHWFIR-UHFFFAOYSA-N 360.457 5.300 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)c3ccccc3n2)cc1 1200195 YTHZLGDOBHHJJA-UHFFFAOYSA-N 367.452 5.420 0 50 FKAA COc1ccc(C)cc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1777382 MQTPDUHPQMISNR-UHFFFAOYSA-N 355.478 5.099 0 50 FKAA Cc1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1 4076437 MLLPNZCTDYVCLS-UHFFFAOYSA-N 358.875 5.725 0 50 FKAA CN1CCOc2ccc3ccccc3c2-c2c(ccc3ccccc23)OCC1 4566135 WWHLOCHWYPZKTE-UHFFFAOYSA-N 369.464 5.363 0 50 FKAA Cc1cc(=O)oc2cc(OCc3ccc(Cl)c(Cl)c3)c(Cl)cc12 5040137 ULJWUAPYZFFMSA-UHFFFAOYSA-N 369.631 5.641 0 50 FKAA COc1cccc([C@@H]2CCCCN2Cc2nc(-c3cccs3)oc2C)c1 12207947 MZOJKKOVIFIUTP-IBGZPJMESA-N 368.502 5.447 0 50 FKAA Clc1ccc(Cn2cnc(-c3ccccc3)c2-c2ccsc2)cn1 65526393 YEANSOCFDRBAKE-UHFFFAOYSA-N 351.862 5.375 0 50 FKAA C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccc(Cl)cc1 221968880 SGXGVJNDEPDVHK-IGDFAFLASA-N 352.305 5.095 0 50 FKAA CC(C)[C@H](NC(=O)c1cccc2ccccc12)c1nc(-c2ccccc2)no1 334163364 ZJQHEZGMTZTAGU-FQEVSTJZSA-N 371.440 5.017 0 50 FKAA Cc1cc(C(F)F)nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c12 1875342756 GGEMHVLZJVBCPH-UHFFFAOYSA-N 367.808 5.030 0 50 FKAA O=C(Cc1ccc(Cl)cc1)NCCC(c1ccccc1)c1ccccc1 657377 MFACDIQCEXNDKV-UHFFFAOYSA-N 363.888 5.221 0 50 FKAA COc1ccc(-c2nc(-c3ccc(C)cc3)[nH]c2-c2ccc(OC)cc2)cc1 826720 SFJOFRNEQLJWIM-UHFFFAOYSA-N 370.452 5.736 0 50 FKAA biogenic Clc1ccc(Oc2ccccc2I)c(Cl)c1 2510190 ULAWXTPGHWKSDY-UHFFFAOYSA-N 364.997 5.390 0 50 FKAA O=C(N[C@H](SCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 3129984 TXHYBPRLPPJPRS-OAHLLOKOSA-N 374.720 5.046 0 50 FKAA S=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1-c1ccccc1 5589957 DLHMMEOUBGOVHU-UHFFFAOYSA-N 373.308 6.469 0 50 FKAA O=P(Oc1ccccc1)(Oc1ccccc1)N1CC2CCC(CC2)C1 5737638 YCFAPWHUOXHNMW-UHFFFAOYSA-N 357.390 5.375 0 50 FKAA COc1cccc([C@H](C)N(C)Cc2nc(-c3cc(F)ccc3F)oc2C)c1 14971587 QYJMQFDASMTDRT-ZDUSSCGKSA-N 372.415 5.130 0 50 FKAA Clc1ccccc1-c1cncnc1[C@H]1CCCN(Cc2ccsc2)C1 15005661 XPZMQVUOGIBHPF-INIZCTEOSA-N 369.921 5.238 0 50 FKAA COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1 34648208 DYVLPJYIGJZAKF-UHFFFAOYSA-N 364.485 5.362 0 50 FKAA in-vitro C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C=C[C@@H]2O 71789078 YWHIUZLVKVDQAM-VAFBSOEGSA-N 360.497 5.259 0 50 FKAA in-vitro Cc1ccc2c(C)c(C(=O)NCc3ccc(Oc4ccccc4)cc3)oc2c1 2050025004 MQKLWEQQAZIBIT-UHFFFAOYSA-N 371.436 5.772 0 50 FKAA CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 727765 XMCPWEIUDAXJCA-UHFFFAOYSA-N 372.424 5.454 0 50 FKAA COc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1 1207476 BPXAEWARTHZCAP-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA Cc1cc(C)c(NC(=O)c2cc(Br)ccc2Cl)c(C)c1 2850610 PAYHEWDULGLIMZ-UHFFFAOYSA-N 352.659 5.280 0 50 FKAA COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1 4842309 AHTBSYHSEPITHI-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA CC1=C2CC[C@H]3[C@@H]4CC[C@@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 5191719 YKMWBUJFIQUVEI-ZCQFWUSASA-N 362.557 6.838 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1 5235435 FEMZAURGBRDXAR-SFHVURJKSA-N 356.828 5.293 0 50 FKAA O=C(NC1CCCCC1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 6885641 HZJAPXJSJJMSDL-UHFFFAOYSA-N 364.876 5.618 0 50 FKAA Cc1noc2ncnc(N[C@H](C)c3ccc(Oc4ccccc4)c(F)c3)c12 2325879228 NAGUXUKXBDITCF-GFCCVEGCSA-N 364.380 5.031 0 50 FKAA Cc1ccc(-c2csc3ncnc(Nc4cccc(C(=O)O)c4)c23)cc1 951865 JXCJXVPOZXENNA-UHFFFAOYSA-N 361.426 5.109 0 50 FKAA CC[C@@H](C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccccc1 1119875 ZBPYSLRYRXVMLV-GOSISDBHSA-N 373.412 5.129 0 50 FKAA COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1203204 CSUFPIVULXWNOK-RUDMXATFSA-N 355.743 5.019 0 50 FKAA biogenic O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 1213340 SAPXMYRICRCHCX-LJQANCHMSA-N 352.796 5.250 0 50 FKAA CCc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c2c1CCCC2 1471249 SRUHBVHWPMHVNM-UHFFFAOYSA-N 370.905 5.204 0 50 FKAA COc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)c1Cl 4542731 QGZVNHCLEBIBPP-VMPITWQZSA-N 356.636 5.307 0 50 FKAA C[C@H](Sc1nc2cc(-c3ccccc3)c(-c3ccccc3)cc2[nH]1)C(=O)O 4819994 AXZWGOMFTQVALH-AWEZNQCLSA-N 374.465 5.462 0 50 FKAA O=C(CSc1cccc2ccccc12)Nc1nc2ccccc2s1 6700678 NUEARERUNBUXAQ-UHFFFAOYSA-N 350.468 5.180 0 50 FKAA Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)s1 12023087 IDIQMKZBPLTXHC-OAHLLOKOSA-N 359.520 5.204 0 50 FKAA c1ccc(CN(Cc2ccc([C@H]3CCCO3)s2)Cc2nccs2)cc1 63846842 PWOVEEYHECRYGZ-GOSISDBHSA-N 370.543 5.259 0 50 FKAA COc1ccc(-c2c(-c3ccccc3)ncn2C2CCOCC2)c(C)c1C 65420937 SQNQDTSPDOFCHC-UHFFFAOYSA-N 362.473 5.194 0 50 FKAA C[Si](C)(C)[C@@H]1[C@H](C(=O)c2ccccc2)C1(c1ccccc1)c1ccccc1 169828972 OWSVNRXYZSVKIP-LADGPHEKSA-N 370.568 6.194 0 50 FKAA CC(C)[C@@H](c1ccccc1)[C@H](OC(=O)c1ccccc1C(=O)O)C(C)C 640342 CRQCSBYENVXPFS-VQTJNVASSA-N 354.446 5.006 0 50 FKAA O=C(NCc1ccccc1Cl)c1ccc(CSc2ccccc2)cc1 982789 MAKBTNMLNPKCQN-UHFFFAOYSA-N 367.901 5.562 0 50 FKAA O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccs1 1121857 GJMGYZFTRMRAFS-UHFFFAOYSA-N 353.226 5.672 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(OC)c4)c3)nc2c1 1208003 OBQZMLSSBYDHNO-UHFFFAOYSA-N 372.424 5.318 0 50 FKAA O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(Cl)c1Cl 1312203 KZJQHLZJQWFOHT-UHFFFAOYSA-N 357.649 5.509 0 50 FKAA CCOc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 1791113 YMOFZBISFMXSKG-UHFFFAOYSA-N 372.877 5.423 0 50 FKAA CCCCCN(CCCCC)[C@@H](O)c1cc2c(c3ccccc13)CCCC2 2162189 QJUCMOPLCNJRMU-VWLOTQADSA-N 367.577 6.392 0 50 FKAA CCOc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1 2998401 VTLSNJNRKNONLE-UHFFFAOYSA-N 352.459 5.078 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)c1c2c(nc3ccccc13)CCCC2 3213767 XROPHILVRNCEBI-UHFFFAOYSA-N 370.374 5.385 0 50 FKAA O=C(Nc1cccc(/C=C/c2ccncc2)c1)C12CC3CC(CC(C3)C1)C2 6659257 CECSRNWUQJGAFY-SNAWJCMRSA-N 358.485 5.407 0 50 FKAA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccccc2F)c1 1085765 LVUCTWHBFOKOIC-HXUWFJFHSA-N 359.444 5.387 0 50 FKAA Cc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 1085973 JBRICZKQEBBDNK-UHFFFAOYSA-N 369.511 5.088 0 50 FKAA COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 1155412 PCAYWHURRDNVOE-ACCUITESSA-N 353.805 5.261 0 50 FKAA Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2C)c1 1215872 ZNCGTDJHMHCFAA-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA CCCCn1c2ccccc2c2nnc(SCc3ccc(F)cc3)nc21 2864490 UCAMROTZXLQSHF-UHFFFAOYSA-N 366.465 5.211 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C12CC3CC(CC(C3)C1)C2 5094383 LOAVHBITUTWTPG-UHFFFAOYSA-N 372.921 5.618 0 50 FKAA CCCC[C@@H](F)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 97758832 RUJXGVGAOVOROW-LJQANCHMSA-N 373.471 6.554 0 50 FKAA in-vitro CCCCCOc1ccc(OC(=O)[C@H]2CC[C@H](CCCCC)CC2)cc1 245189296 NWXQRUYEAUDZIV-MXVIHJGJSA-N 360.538 6.548 0 50 FKAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3ccccc3)C[C@@H]12 247979874 XBBFULYUUHIPON-CFIJEDFSSA-N 374.524 5.606 0 50 FKAA Fc1cccc(-c2nnc3ccc(Oc4cccc(C5CCCC5)c4)nn23)c1 1875335918 LQXBSWZDKQBFQH-UHFFFAOYSA-N 374.419 5.380 0 50 FKAA COc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(OC)c1OC 946416 OATBHUPBVXAMMK-UHFFFAOYSA-N 371.477 5.212 0 50 FKAA CC(C)CC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 1156655 FJYSBUQSHZHVMF-UHFFFAOYSA-N 363.244 5.786 0 50 FKAA COc1c(Cl)cc(C(=O)Nc2nc3ccc(C)cc3s2)cc1Cl 1207304 FTYLUHKUYHKSAB-UHFFFAOYSA-N 367.257 5.172 0 50 FKAA CN1[C@@H](c2ccccc2)CC(O)(Cc2ccccc2)C[C@@H]1c1ccccc1 2472762 AOWOYGJULXOSNG-DNQXCXABSA-N 357.497 5.168 0 50 FKAA COc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)o1 2856618 IVQQDFJHPKKYER-UHFFFAOYSA-N 355.393 5.044 0 50 FKAA CCCc1cc(=O)oc2cc(OC/C=C/c3ccccc3)c(Cl)cc12 2902276 CYFPPDWPEWWZNN-UXBLZVDNSA-N 354.833 5.491 0 50 FKAA CC(C)(C)c1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 2982827 JOJGBVLGEWWLAC-UHFFFAOYSA-N 361.938 5.301 0 50 FKAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 3202186 BNEJCRXPBIKRMK-XMMPIXPASA-N 369.508 5.865 0 50 FKAA CN(CC(c1ccccc1)c1ccccc1)C[C@H]1OCCc2ccccc21 3683943 ANISUAWCDPNQEH-RUZDIDTESA-N 357.497 5.064 0 50 FKAA CC[C@H](C)c1ccc([C@@H](CC)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4650978 FMZREABFRWUADD-PYXPVNFYSA-N 368.565 5.919 0 50 FKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1CC(=O)c1ccccc1 4663040 HSDMTOQDDDRLCZ-AVRDEDQJSA-N 356.469 5.321 0 50 FKAA Cc1cccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CCCC3)c1 5073794 RGKGVYGFGGMMSE-UHFFFAOYSA-N 370.518 5.172 0 50 FKAA Cc1ccc(F)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 5699082 HIRIOUGWPVLSGK-UHFFFAOYSA-N 362.763 5.142 0 50 FKAA CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 22056306 MHJBZVSGOZTKRH-IZHYLOQSSA-N 373.496 5.360 0 50 FKAA world CS[C@H](C)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]ccc12 67855923 ZTUUIOYKPAGOIH-MRXNPFEDSA-N 361.514 5.374 0 50 FKAA CCOc1cccc2c1O[C@@H](CC(C)C)N1N=C(c3ccc(C)cc3)C[C@@H]21 229892416 HTHDHZCXTBKIRS-UNMCSNQZSA-N 364.489 5.309 0 50 FKAA CN(CC[C@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccccc2F)cc1 299789867 HDMILWUMBIRYDS-QGZVFWFLSA-N 372.440 5.041 0 50 FKAA CC(C)C1CCC([C@@](C)(O)CNC[C@]2(C)CCCc3ccccc32)CC1 2325842168 QAGKNAVSUUJVJE-SSKZOSGOSA-N 357.582 5.084 0 50 FKAA Brc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1 984859 BQELZNSOCYITOG-UHFFFAOYSA-N 368.278 5.050 0 50 FKAA CC(=O)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 1155875 CTWLAVLABIBYIK-UHFFFAOYSA-N 372.376 5.178 0 50 FKAA Cc1ccc([C@]2(CCNCc3ccccc3F)CCO[C@H](C(C)C)C2)cc1 2217989 LXQCJRFOFVFPAV-BJKOFHAPSA-N 369.524 5.387 0 50 FKAA Cc1ccc(N[C@H](c2c[nH]c3ccccc23)P2(=O)O[C@H](C)[C@@H](C)O2)cc1 15635802 SUJTZZWELBPEGF-SXGZJXTBSA-N 370.389 5.604 0 50 FKAA Cc1cc(NC(=O)N(C)Cc2csc(C(C)C)n2)c(Cl)cc1F 95500654 CFNZBRCMHLFYHZ-UHFFFAOYSA-N 355.866 5.031 0 50 FKAA Cc1nc(NC(=O)c2cccc(-c3cn[nH]c3)c2)cc(-c2ccccc2)c1C 1857723233 ZCHKIXBOIMTPDA-UHFFFAOYSA-N 368.440 5.008 0 50 FKAA Cc1cc(OC(=O)Nc2ccccc2Cl)cc(C)c1Br 640903 IKUUCHZRMFHCGG-UHFFFAOYSA-N 354.631 5.330 0 50 FKAA O=C(Nc1ccccc1Br)c1ccccc1Oc1ccccc1 1182999 JXIPGNNNTIWWRI-UHFFFAOYSA-N 368.230 5.494 0 50 FKAA Cc1c(C)c(COc2cccc3cccnc23)c(C)c(C)c1Br 2494071 QQCWXEJSQHUHMW-UHFFFAOYSA-N 370.290 5.810 0 50 FKAA COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1 2733635 JVJOETJZTWJPIR-UHFFFAOYSA-N 365.383 5.342 0 50 FKAA c1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 2812082 RFVKRTWWKYQFER-UHFFFAOYSA-N 372.493 5.915 0 50 FKAA O=C(C[C@@H](Nc1cccc(Cl)c1)c1ccccc1)c1ccc(F)cc1 2841465 YSPRTRAVPKJXGA-HXUWFJFHSA-N 353.824 5.905 0 50 FKAA CCCOc1ccc(C(=O)CCNc2ccc(Cc3ccncc3)cc2)cc1 2875785 DSIRLHASHKZQCW-UHFFFAOYSA-N 374.484 5.146 0 50 FKAA CCc1cc2c(=O)c(-c3ccc(-c4ccccc4)cc3)c(C)oc2cc1OC 2995686 ALKGAVRPKHEIFQ-UHFFFAOYSA-N 370.448 6.006 0 50 FKAA CCc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4543179 HKGDYSINFAODPC-UHFFFAOYSA-N 358.652 5.227 0 50 FKAA Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccccc3F)C2)cc1 5008085 XSIXCMMFNTWELS-NRFANRHFSA-N 368.814 5.974 0 50 FKAA O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccccc1Br 633205 SUOUKQXMJVMRGK-GOSISDBHSA-N 358.279 5.110 0 50 FKAA c1ccc(Cn2c(CSc3nc4ccccc4[nH]3)nc3ccccc32)cc1 1156057 JVGRUVWYIAOXJU-UHFFFAOYSA-N 370.481 5.253 0 50 FKAA COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 1210254 WCNRMCIBXORJRM-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA CCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 1779291 IETZNZHUSGJORT-JLHYYAGUSA-N 363.379 5.536 0 50 FKAA Cc1ccc(Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 2865153 COGKIOJPDFSLFO-UHFFFAOYSA-N 352.441 5.566 0 50 FKAA Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(C(C)C)cc3)ccc12 16282153 VQIROPDQLFUCSX-UHFFFAOYSA-N 352.459 5.034 0 50 FKAA Cc1c(Cl)cccc1NC(=O)Nc1ccc(Br)c(Cl)c1 17076541 VJHRLAJTIIVXDQ-UHFFFAOYSA-N 374.065 5.708 0 50 FKAA Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccnc1 19811827 YRRCKVBRWDTETQ-DEOSSOPVSA-N 353.469 5.019 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)c4cnoc4C4CC4)c(C)c3)nc2c1 55270020 DCVGJSYPZZUIQH-UHFFFAOYSA-N 373.412 5.229 0 50 FKAA COc1ccc2cc([C@H](C)C(=O)Oc3cccc4ccccc34)ccc2c1 90548369 HTWGOHKVRDWVEN-INIZCTEOSA-N 356.421 5.711 0 50 FKAA in-vitro C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cccc(Cl)c1 221967116 LJKVZKNQXBKZNI-IGDFAFLASA-N 352.305 5.095 0 50 FKAA CC(C)c1nc([C@@H](C)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)co1 225410135 YFGCXKQUQBXTBB-CXAGYDPISA-N 354.416 5.865 0 50 FKAA Cc1c(Cl)cccc1-c1ccc(C(=O)N(C)CC[C@@H]2CCCCO2)cc1 426514624 ICZHQWNZVSUBRA-IBGZPJMESA-N 371.908 5.347 0 50 FKAA COc1ccc(-c2coc3c2c(C)cc2oc(=O)c4c(c23)CCCC4)cc1 622210 FKNJCFDMYDJVOW-UHFFFAOYSA-N 360.409 5.402 0 50 FKAA Clc1ccc(-c2cc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)[nH]n2)cc1 755141 FPHOXKBGWGCBAX-UHFFFAOYSA-N 355.228 5.441 0 50 FKAA CC(C)CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 1154868 BOHRGNGIBWREAU-UHFFFAOYSA-N 365.260 5.230 0 50 FKAA O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc(Cl)c1 1185847 XZOQSETVVCIPMZ-UHFFFAOYSA-N 363.844 5.609 0 50 FKAA O=C(Nc1ccc(Br)cc1)c1ccccc1Oc1ccccc1 1188939 FBTMKYNYTAYKQB-UHFFFAOYSA-N 368.230 5.494 0 50 FKAA CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Nc1cccc(Cl)c1 1189156 ZYRVJNSXAOTXLI-AWEZNQCLSA-N 372.896 6.063 0 50 FKAA Cc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 1202915 IHXDEQWYZLJPPE-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA c1ccc(C2SC(c3ccccc3)SC(c3ccccc3)S2)cc1 1702013 HJHSNTOTXYILIV-UHFFFAOYSA-N 366.576 7.296 0 50 FKAA Clc1ccccc1Nc1nc(-c2ccc(Br)cc2)cs1 1994227 SSFMHJPEXQYPMM-UHFFFAOYSA-N 365.683 5.970 0 50 FKAA Cc1ccc([C@@H](NC(=O)[C@H](c2ccccc2)C(C)C)c2ccccc2)cc1 2362893 KLZOEACHXMZNNH-ZEQRLZLVSA-N 357.497 5.640 0 50 FKAA CC(C)(C)[C@@H]1CCc2c(C(=O)NCc3ccccc3Cl)csc2C1 2760382 OGMJURCUSFGXLJ-CQSZACIVSA-N 361.938 5.483 0 50 FKAA O=C(Nc1ccc(OC(F)F)cc1)c1sc2ccccc2c1Cl 2843787 GTMPMJSHOUVLTM-UHFFFAOYSA-N 353.777 5.408 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2)nc1-c1cc(C)ccc1C 2980931 UVLCIDPFEAUHLA-UHFFFAOYSA-N 350.487 5.632 0 50 FKAA O=C(c1ccccc1)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1 3122060 MLNFAVZUSGIURZ-UHFFFAOYSA-N 362.428 5.816 0 50 FKAA biogenic CC1(C)C[C@H]([C@H](CCNCc2ccccc2)c2ccc(F)cc2)CCO1 4093994 OYRXDALYHOEYRD-IFMALSPDSA-N 355.497 5.294 0 50 FKAA Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3cccs3)C2)cc1 4502371 CSUBLITVDKFEKK-SFHVURJKSA-N 356.853 5.896 0 50 FKAA O=C(CSCc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 5102729 IXEBGQBJVPVMAH-UHFFFAOYSA-N 359.800 5.231 0 50 FKAA CCCCCC[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320463 YWDIEMAKUVOZQS-NSHDSACASA-N 350.812 5.839 0 50 FKAA Cc1nn(Cc2ccccc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 20604592 SNHMFXWEVUMPSH-UHFFFAOYSA-N 373.403 5.535 0 50 FKAA CC(C)c1cn[nH]c1[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 23145032 OELFYTRHWXTTJD-KRWDZBQOSA-N 366.534 5.036 0 50 FKAA CCC[C@H](O)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71789376 ICOUPJBNCNTOKV-SFHVURJKSA-N 357.453 5.187 0 50 FKAA in-vitro Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 683236 SRMMEFCASTXHQU-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA CC1(C)Cc2nc3ccccc3c(NCc3ccc(Cl)cc3)c2[C@@H](O)C1 754663 LSOLENMLUWTWRQ-IBGZPJMESA-N 366.892 5.506 0 50 FKAA O=C(Nc1nccs1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 1073784 LOHMLDXGIPBFBP-UHFFFAOYSA-N 365.845 5.264 0 50 FKAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)cc1 1150184 LOCWXQIQNCPNHK-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA CCOC(=O)c1cc(COc2ccc3oc4ccccc4c3c2)c(C)o1 5018946 DLCLLARHJWPPLY-UHFFFAOYSA-N 350.370 5.243 0 50 FKAA Cc1ccc(C(C)(C)C[C@H](C)N[C@H](Cc2ccccc2)c2ccccc2)o1 16677706 FXSBMZUIPOWPDA-WMZHIEFXSA-N 361.529 6.218 0 50 FKAA N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cc(Cl)ccc1Cl 17075513 NYIIWDINSUWYEX-UHFFFAOYSA-N 367.619 5.125 0 50 FKAA Fc1ccc(-n2ncc3c(C(F)(F)F)cc(-c4cccs4)nc32)cc1 20604761 ODEPNFGHMOSKHH-UHFFFAOYSA-N 363.339 5.307 0 50 FKAA CC(C)c1cn[nH]c1[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 23145028 OELFYTRHWXTTJD-QGZVFWFLSA-N 366.534 5.036 0 50 FKAA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cn1 253534521 JHTFPRFKUMCPIU-LGRQHKLHSA-N 368.565 5.207 0 50 FKAA CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2sc(C)nc2C)cc1 426693889 VIRISGQKFPYIOL-LJQANCHMSA-N 365.502 5.045 0 50 FKAA O=C1N(c2cccc3ccccc23)[C@@H](c2ccccc2Cl)N2CCCN12 638044 GAMQBOPSALYWFG-FQEVSTJZSA-N 363.848 5.055 0 50 FKAA CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 826709 OUYYMJSSSIVXJK-UHFFFAOYSA-N 353.425 5.369 0 50 FKAA O=C(OCc1ccc(Cl)cc1)c1c2c(nc3ccccc13)CCCC2 992928 HYQFBMGJXQETKT-UHFFFAOYSA-N 351.833 5.124 0 50 FKAA Cc1cccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 1134011 LQOIQOFQWHDDLP-GFCCVEGCSA-N 371.786 5.382 0 50 FKAA Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C(C)C)o2)cc1Cl 1156254 ARKBRPZQMFDFIH-UHFFFAOYSA-N 353.849 6.284 0 50 FKAA Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 4141327 ASYAFSDSZYHOAL-RBBKRZOGSA-N 360.844 5.582 0 50 FKAA CC(=O)Oc1cccc2ccc(/C=C/c3ccccc3Br)nc12 4912836 GQHFCAJQMXUUPG-PKNBQFBNSA-N 368.230 5.093 0 50 FKAA CCCn1c(SCc2csc(-c3ccccc3)n2)nnc1C(C)C 6400376 BTMCDQCDCXBLKA-UHFFFAOYSA-N 358.536 5.227 0 50 FKAA O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccco1 6766530 LMTHGEKRDKEPEM-UHFFFAOYSA-N 373.195 5.647 0 50 FKAA Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccco3)C2)cc1 13483297 BXDJGNOSYSCKOH-LJQANCHMSA-N 361.470 5.136 0 50 FKAA aggregator CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 95704999 MDJYHWLDDJBTMX-UHFFFAOYSA-N 364.533 5.530 0 50 FKAA biogenic,in-vitro O=C(Cc1ncc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)cc1 263640160 ZRBAVSULOVFGAD-UHFFFAOYSA-N 367.676 5.198 0 50 FKAA CCC[C@H](N[C@@H]1[C@H]2CCCCN[C@H]21)c1ccc(Oc2ccccc2)cc1 2325822280 NYUHMUHABUFOKY-MYDTUXCISA-N 350.506 5.050 0 50 FKAA CCOc1cccc2c1N(C(C)=O)C(C)(C)c1ssc(=S)c1-2 682877 SAXCKBJAQQJDDI-UHFFFAOYSA-N 351.518 5.206 0 50 FKAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1C 714989 SWXIPWKCSHLVNA-UHFFFAOYSA-N 365.454 5.153 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)s1 998005 SEGSYIHTHPVKJM-UHFFFAOYSA-N 370.477 5.475 0 50 FKAA O=C(Nc1cccc2ccccc12)c1cc(Br)ccc1Cl 1216542 KUKNCNSIVQKTNK-UHFFFAOYSA-N 360.638 5.508 0 50 FKAA O=C(Nc1ccc(Cl)cn1)c1ccc(COc2ccccc2Cl)cc1 2751524 KRRQAPAKTRDWDV-UHFFFAOYSA-N 373.239 5.220 0 50 FKAA CSc1ccccc1NC(=O)Nc1ccc(Br)cc1Cl 2853491 AHDJMBLVEJDKQT-UHFFFAOYSA-N 371.687 5.468 0 50 FKAA Cc1ccc(-c2csc3ncnc(SCc4csc(C)n4)c23)cc1 2861357 QJVCSOGOTMMHQJ-UHFFFAOYSA-N 369.540 5.724 0 50 FKAA Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3cccnc3)c(C)o2)s1 12439267 KURHUGHTHXIMDT-GOSISDBHSA-N 353.491 5.142 0 50 FKAA Cc1ccc(OC(=S)O[C@H]2CC[C@]3(C)CC(C)(C)[C@@H]4CCC(=O)[C@]243)cc1 71786164 QXYZYMINPOJJFH-BYZLFZLASA-N 372.530 5.239 0 50 FKAA CCC[C@H](F)Cn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 95705040 GKGOOBXNSBWSAR-SFHVURJKSA-N 373.471 6.472 0 50 FKAA in-vitro O=c1oc2cc3occ(-c4ccc(Cl)cc4)c3cc2c2c1CCCC2 634072 BRZXSHZSBASSIT-UHFFFAOYSA-N 350.801 5.738 0 50 FKAA biogenic C[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)C1 995722 VEDATEAMQXYHTH-ZDUSSCGKSA-N 370.905 5.489 0 50 FKAA O=C(Nc1ccc(F)cc1F)c1ccc(CSc2ccccc2)cc1 1112315 FALLIXIEDKQAMQ-UHFFFAOYSA-N 355.409 5.509 0 50 FKAA Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 1174194 AJVQYVUJUZKTQF-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA COc1ccc(OCCCOC(=O)Nc2c(Cl)cccc2Cl)cc1 2173799 LUJXIRNTWHSTAN-UHFFFAOYSA-N 370.232 5.020 0 50 FKAA CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2749008 XBFCLKXHQYNGLG-UHFFFAOYSA-N 373.452 5.563 0 50 FKAA COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccccc1)oc1ccccc12 3642263 VYYAZFIHXITYML-AWEZNQCLSA-N 361.397 5.001 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 3998016 XXNRZZXPXAFYRJ-HEGQMBHGSA-N 357.497 5.328 0 50 FKAA O=C(Cc1ccccc1)Nc1cc(Cl)ccc1OCc1ccccc1 4867122 AYNHZIYBJSITLH-UHFFFAOYSA-N 351.833 5.100 0 50 FKAA CSc1ccc(Cl)c(C(=O)Nc2ccccc2-c2ccccc2)c1 4868440 FPSAPQAXSHGKLY-UHFFFAOYSA-N 353.874 5.981 0 50 FKAA Cn1cc(C(c2ccccn2)c2cn(C)c3ccccc23)c2ccccc21 4998327 NLKWVANPOBBPAE-UHFFFAOYSA-N 351.453 5.245 0 50 FKAA Cc1cccc(N2CCN(c3cc(C)c4ccc(Cl)cc4n3)CC2)c1C 16667712 WTFBTOQGAJTKGA-UHFFFAOYSA-N 365.908 5.140 0 50 FKAA c1ccc(N(c2ccccn2)P(C2CCCCC2)C2CCCCC2)nc1 40450108 CJUFCBSWPOCQJL-UHFFFAOYSA-N 367.477 6.677 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(OC)cc21 64859460 LQWPINYSBSBWIN-UHFFFAOYSA-N 371.480 6.224 0 50 FKAA in-vitro Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)nn1 72117594 QQAPOFVLKRQEOV-UHFFFAOYSA-N 361.445 5.127 0 50 FKAA CCOc1ccc(OCc2cccc(C(=O)NC3CCCCCC3)c2)cc1 673168 QNMBUKDDFSUBTL-UHFFFAOYSA-N 367.489 5.117 0 50 FKAA O=C(COc1ccc2ccccc2c1)Nc1ccccc1-c1ccccc1 832757 YGTQMUKYIMUVQZ-UHFFFAOYSA-N 353.421 5.524 0 50 FKAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@@H]1C[C@H]1c1ccccc1 995914 KCWMJAKMSZUKOC-VQTJNVASSA-N 370.477 5.706 0 50 FKAA Clc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 1105529 KLRNKMZSARWWTH-UHFFFAOYSA-N 350.809 5.232 0 50 FKAA CCc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1226051 ZMKZIBFRYJBPMF-UHFFFAOYSA-N 367.452 5.354 0 50 FKAA CCOC(=O)c1cc(-c2ccccc2)nnc1Sc1ccc(Cl)cc1 3105455 BQJLFOAWNQQXNG-UHFFFAOYSA-N 370.861 5.125 0 50 FKAA CC1(C)C[C@@](CCNCc2ccc(F)cc2)(Cc2ccccc2)CCO1 3903494 IZRHCTRCYUGXAD-HSZRJFAPSA-N 355.497 5.124 0 50 FKAA CN(C)c1ccc([C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 5328709 QQWHGTWYJSFQMP-DEOSSOPVSA-N 353.465 5.792 0 50 FKAA Cc1sc(NC(=O)Nc2ccc(Cl)cc2F)nc1-c1ccccc1 20343049 IRDJFPGWLPZVSG-UHFFFAOYSA-N 361.829 5.555 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3cccc(OC)c23)c2ccccc21 71789399 CNQSHGRPSVJODG-UHFFFAOYSA-N 371.480 6.224 0 50 FKAA in-vitro COCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1cccc(Cl)c1 72116068 PVCFCZNTDOTCCG-UHFFFAOYSA-N 363.848 5.172 0 50 FKAA CCCCCn1cc(C(=O)Oc2ccc3ccncc3c2)c2ccccc21 95726746 SKNIUESFTXIXQK-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro COc1cccc(OCc2cc(-c3cccc(F)c3F)ccc2F)c1C 1875357898 BEFUDTVWHHAXMZ-UHFFFAOYSA-N 358.359 5.667 0 50 FKAA Cc1cc(Br)c(OC(=O)Nc2cccc(Cl)c2)cc1C 640783 CHUYSNAEKGXWFM-UHFFFAOYSA-N 354.631 5.330 0 50 FKAA Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 848313 WFMPHDWNLHALBI-CMDGGOBGSA-N 368.889 5.348 0 50 FKAA CSc1cccc(NC(=O)c2csc3c2CC[C@@H](C(C)(C)C)C3)c1 1009300 NYYZTEOLIJHLKE-CYBMUJFWSA-N 359.560 5.873 0 50 FKAA Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1109624 BYUXDHFEQNFNJB-UHFFFAOYSA-N 374.465 5.534 0 50 FKAA Cc1ccc(C(=O)[C@H](OC(=O)c2cccc(C)c2O)c2ccccc2)cc1C 1122811 DERJTFVXHIHDNP-HSZRJFAPSA-N 374.436 5.098 0 50 FKAA O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 1181131 VWUXTMZNYAQUJI-UHFFFAOYSA-N 366.873 5.134 0 50 FKAA O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCc2ccccc2C1 1181537 XFZIGWFDJUEVJZ-QFIPXVFZSA-N 359.494 5.105 0 50 FKAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccccc1 1797489 NWPCKSFHOQPJLK-UHFFFAOYSA-N 356.421 5.601 0 50 FKAA Cc1cccc2c1NC(C)(C)c1sn(-c3ccc(Cl)cc3)c(=S)c1-2 2070245 TZPLLSMEYGTNBP-UHFFFAOYSA-N 372.946 6.558 0 50 FKAA Cc1cccc2c(C(=O)Oc3ccccc3)cc(-c3ccc(Cl)cc3)nc12 2577077 MECFDRBSQXFXOM-UHFFFAOYSA-N 373.839 6.083 0 50 FKAA Cc1ccc(-c2noc(CNc3ccc(Oc4ccccc4)cc3)n2)cc1 2846478 JZBWJUGDCVCTCK-UHFFFAOYSA-N 357.413 5.449 0 50 FKAA S=C(NCCSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1 2992989 UXHWHZAJGCEOTL-UHFFFAOYSA-N 371.358 5.213 0 50 FKAA CCc1ccc(-c2nnc(-c3ccc(-c4ccc(OC)cc4)cc3)o2)cc1 4739572 BRWNFVQZPYTYED-UHFFFAOYSA-N 356.425 5.642 0 50 FKAA Cc1cccc2cc(CNCc3ccccc3F)c(-c3cccs3)nc12 11973231 VZDMREOHCCBKAM-UHFFFAOYSA-N 362.473 5.701 0 50 FKAA CCOc1cc(/C=C2\Oc3ccccc3[C@@H]2O)ccc1OCc1ccccc1 16447548 XABXNVQCNHRONA-HKPSVDRMSA-N 374.436 5.131 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 245235134 IBBHEQXRACLNGJ-BFMGTHOESA-N 364.316 6.261 0 50 FKAA C1=CC2=CC[C@@]34C2=C(C1)CPCc1cccc(c13)C[C@H]4c1ccccc1 263584566 WNSOXOMTYBAEBG-WIOPSUGQSA-N 354.433 6.043 0 50 FKAA CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3ccc(Cl)cc3)o1)C2 1704304364 MMYBHHDPZUXTBP-NHCUHLMSSA-N 359.897 5.381 0 50 FKAA COc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc1 845961 DZKHUGWEDGHUTL-UHFFFAOYSA-N 354.453 6.036 0 50 FKAA Cc1cccc(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)c1 995648 NPHBRMPQMSQJAT-UHFFFAOYSA-N 356.400 5.602 0 50 FKAA C[C@@H](Oc1cccc(Cl)c1)C(=O)NC(c1ccccc1)c1ccccc1 1114909 IGOUHJRBGKJKFB-MRXNPFEDSA-N 365.860 5.013 0 50 FKAA O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 1152931 OXRRKIYJUDLQMN-FMIVXFBMSA-N 358.372 5.286 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cccc(Cl)c2)o1 1186575 PIWSZKXMOAMKMY-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA CCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 1208386 ICYREFGUQXKMDQ-UHFFFAOYSA-N 372.424 5.454 0 50 FKAA c1ccc(-c2nnc(Sc3nc4ccccc4s3)c3ccccc23)cc1 2269470 HFZGUCBJTSLJSW-UHFFFAOYSA-N 371.490 6.058 0 50 FKAA CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)c1 2853316 AHAYFWSXPWCOEA-UHFFFAOYSA-N 374.912 5.129 0 50 FKAA CCCCc1ccc(NC(=O)CCc2ccccc2Br)cc1 4542934 BNDVAIFVCQUJSB-UHFFFAOYSA-N 360.295 5.363 0 50 FKAA CCOc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1Cl 4911732 MDLIXEQUDGIIRU-KRWDZBQOSA-N 351.833 5.366 0 50 FKAA C[C@@H](CN[C@H](CC(=O)O)c1ccsc1)Cc1ccc(C(C)(C)C)cc1 170612918 ZRYQARXVZMQVAZ-DNVCBOLYSA-N 359.535 5.030 0 50 FKAA CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 538507 XSCGXQMFQXDFCW-UHFFFAOYSA-N 352.425 5.260 0 50 FKAA biogenic,world O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccccc1 641484 SXSGVHJZJZZDDB-UXHICEINSA-N 369.873 5.022 0 50 FKAA CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CC 655276 YRHFTKDYOMDBCA-UHFFFAOYSA-N 365.545 5.596 0 50 FKAA COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 834813 NVOKWOSVTABEAA-NYYWCZLTSA-N 370.861 5.124 0 50 FKAA O=C(c1ccccc1Cl)N1N=C(c2cccs2)C[C@H]1c1cccs1 1114268 VWGUVUQUWBMDSI-HNNXBMFYSA-N 372.902 5.455 0 50 FKAA CC(=O)c1cc(C(=O)c2cccc3ccccc23)n2cnc3ccccc3c12 2529405 PVURQXAMJHAFOW-UHFFFAOYSA-N 364.404 5.074 0 50 FKAA Cc1nc2sc(C)c(C)c2c(-c2ccccc2)c1C(=O)Nc1ccccc1 2826188 ZURKXLZEUGWFPO-UHFFFAOYSA-N 372.493 6.141 0 50 FKAA Cc1[nH]c2ccccc2c1C(c1ccccn1)c1c(C)[nH]c2ccccc12 4116465 ZXPPRPGYRMWKNG-UHFFFAOYSA-N 351.453 5.841 0 50 FKAA biogenic CC(C)(C)c1ccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 4542315 HAECFVXZUXSGOK-UHFFFAOYSA-N 361.272 5.049 0 50 FKAA Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccco4)nc32)cc1 4740010 WHYCZJXUBBHKKL-UHFFFAOYSA-N 357.335 5.316 0 50 FKAA Cc1ccc(C(C)C)c(O[C@@]2(c3ccccc3)OC(=O)c3ccccc32)c1 4811576 ASVNLELWHGKWNF-DEOSSOPVSA-N 358.437 5.569 0 50 FKAA CCc1cccc(CC)c1NC(=O)Nc1cc(Cl)c(Cl)cc1Cl 641011 KSOVDWPQVSOZCU-UHFFFAOYSA-N 371.695 6.416 0 50 FKAA O=C(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 1594433 IWKHKRWVNCYEOR-UHFFFAOYSA-N 362.472 6.220 0 50 FKAA O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1ccc(Cl)c(Cl)c1 3327934 OKHMDNMFVSTLMD-UHFFFAOYSA-N 372.255 5.623 0 50 FKAA C[C@H](c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1)N1CCCC1 96141290 QLVVCXHRIUNMJS-LJQANCHMSA-N 362.517 5.137 0 50 FKAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC5CCCCC5)(C4)C2)C3)cc1 100328592 VDTVOJSOMYUCQR-UOYQGRGCSA-N 351.534 5.282 0 50 FKAA CC(=O)OCCO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 257348891 JTBQFWLJEIHPGJ-FUGAYHEQSA-N 362.554 5.368 0 50 FKAA Fc1cccc(Cl)c1COc1cccc(CN2CCC(F)(F)CC2)c1 826621839 QXBXZBISCNQMCE-UHFFFAOYSA-N 369.814 5.289 0 50 FKAA COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 641549 HGIAOXUTZSSDQB-UHFFFAOYSA-N 363.417 5.091 0 50 FKAA CCOc1cc(C(=O)Nc2c(C)cccc2CC)cc(OCC)c1OCC 669298 LPEORLWVLGEAQJ-UHFFFAOYSA-N 371.477 5.006 0 50 FKAA Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 991956 YBGGKTRHCDASIE-UHFFFAOYSA-N 373.861 5.242 0 50 FKAA CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 1243623 KLDLUBLITMTYDF-OAHLLOKOSA-N 372.881 5.377 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1CCc1ccccc1 1911527 VLKGFNYCNUQVTD-UHFFFAOYSA-N 370.279 6.031 0 50 FKAA CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1 2521578 VJGTZYBFJOCYCC-UHFFFAOYSA-N 368.473 5.417 0 50 FKAA CC[C@@]1(C)C[C@](CCNCc2ccc(F)cc2)(c2ccc(C)cc2)CCO1 4093985 RIFBHJUQIDTORA-BJKOFHAPSA-N 369.524 5.531 0 50 FKAA Cc1ccc(N(Cc2ccco2)[S@@](=O)c2ccc3ccccc3c2)cc1 4863869 UGVIPVSCQJSFEJ-AREMUKBSSA-N 361.466 5.471 0 50 FKAA CCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 5061403 FMQYPRFJUYXRJW-UHFFFAOYSA-N 371.440 5.271 0 50 FKAA Cc1ccc(CSCc2nnc(S)n2-c2ccc(C(C)C)cc2)cc1 6400754 FLMRGILYLNNPDV-UHFFFAOYSA-N 369.559 5.421 0 50 FKAA Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)Nc3ccncc3)c2c1 6789036 AOQJSYSOMSOHLR-UHFFFAOYSA-N 367.452 5.474 0 50 FKAA O=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 12960344 BJGGLSIMYFRCEM-UHFFFAOYSA-N 351.833 5.817 0 50 FKAA Brc1cc2c(Br)cc1CCc1ccc(cc1)CC2 101018493 ILJDUGOPNIJARZ-UHFFFAOYSA-N 366.096 5.095 0 50 FKAA O=C(O)CCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 1857526005 REUBRQAOLQSZRH-UHFFFAOYSA-N 359.636 5.243 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3cc(C)ccc3C)c(Cl)cc12 2910939 OGOVVIJJXZNSDD-UHFFFAOYSA-N 356.849 5.595 0 50 FKAA CC(C)[C@H]1C[C@@](CCNCc2ccccc2F)(c2ccccc2)CCO1 4181371 MSNDYHDGMIZQPJ-PKTZIBPZSA-N 355.497 5.078 0 50 FKAA CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4281975 MKKPUSJWXHOZGO-ISKFKSNPSA-N 370.452 5.328 0 50 FKAA Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2)cc1 36620844 OPYCIBBTJKVDAZ-KRWDZBQOSA-N 359.267 5.127 0 50 FKAA CC(C)CCC[C@H](C)CCc1ccc(CC[C@H](C)CCCC(C)C)cc1 57989197 XTDSXTPHPOPBPO-PSWAGMNNSA-N 358.654 8.477 0 50 FKAA CCOc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)cc1 64984542 XWTPZMMZFADJJU-OAQYLSRUSA-N 352.478 5.543 0 50 FKAA C[C@@H]1[C@@H]2C3=CC[C@H]4[C@](C)(CC[C@H]5CCC[C@]54C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 254479048 RDZDBMLXWHANKR-MPHNHVGASA-N 368.649 8.028 0 50 FKAA CCOc1ccc([C@H](C)N(C)C(=O)c2cccc(-c3cc(C)ccn3)c2)cc1 426662258 NXROJWHEPYLPQY-SFHVURJKSA-N 374.484 5.289 0 50 FKAA Clc1ccc(-c2ccc(CN[C@@H]3CCCNc4ccccc43)o2)cc1 2325878110 DWYCZXSPEALFRJ-HXUWFJFHSA-N 352.865 5.637 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 756349 HTAJSOXGEBLEAZ-XMSQKQJNSA-N 356.469 5.208 0 50 FKAA Cc1ccc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)cc1C 1184191 QGFBCBHVDHRHMS-UHFFFAOYSA-N 374.465 5.939 0 50 FKAA COc1c(Cl)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 1198396 VOQPAFVCBZDSSY-UHFFFAOYSA-N 365.043 5.561 0 50 FKAA COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 1397597 ZGKGKPUZGNXAHB-AWEZNQCLSA-N 371.647 5.176 0 50 FKAA c1ccc2oc(SCCCCSc3nc4ccccc4o3)nc2c1 2066944 CVQWMGUCPVJACG-UHFFFAOYSA-N 356.472 5.634 0 50 FKAA CCc1ccccc1NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)oc1C 2859418 HTLLDRNGLFBLIS-UHFFFAOYSA-N 374.267 6.377 0 50 FKAA CC(C)CCCC[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 4532952 CGEVFSWVWBKTII-GDBHKVHBSA-N 370.621 7.351 0 50 FKAA C[C@H](OC(=O)Nc1cccc2ccccc12)C(F)(F)[C@H](F)C(F)(F)F 5721622 UEVPXDBUNGSYOL-ZANVPECISA-N 365.273 5.313 0 50 FKAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccc(F)cc3F)oc2C)c1 12442280 AEWFPJPRKGPAKJ-CYBMUJFWSA-N 372.415 5.130 0 50 FKAA C[C@H](CN1CCOc2c(O)cc(-c3cccs3)cc2C1)c1ccccc1 14991299 HMWNSGQBKLNCBC-MRXNPFEDSA-N 365.498 5.119 0 50 FKAA CCc1cc(Br)ccc1NC(=O)Nc1ccc(Cl)cc1F 20191830 FEQWIVNLYFTUSF-UHFFFAOYSA-N 371.637 5.448 0 50 FKAA CCCC[Sn](CCCC)(CCCC)OC(=O)CC 169807947 AHIXTTGLRFPWJF-UHFFFAOYSA-M 363.130 5.285 0 50 FKAA O=S(=O)(Nc1ccccc1Nc1ccccc1)c1sccc1C1CC1 2325866624 SDNMVQMRDIGUPH-UHFFFAOYSA-N 370.499 5.170 0 50 FKAA COc1ccc(Cl)cc1-c1nc(-c2ccc(Cl)cc2Cl)no1 1051356 LJBWCAJQFCMBQV-UHFFFAOYSA-N 355.608 5.372 0 50 FKAA Cc1ccc2c(c1)N(C(=O)CC(C)C)C(C)(C)c1ssc(=S)c1-2 2202062 FGMKEEVYPGKPED-UHFFFAOYSA-N 363.573 6.142 0 50 FKAA O=C1c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1Cc1ccco1 2285441 UMSDIGICNVUILO-GOSISDBHSA-N 373.239 5.353 0 50 FKAA O=C(NCc1ccco1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 2874579 SJHIFRBVWFSXAG-UHFFFAOYSA-N 369.726 5.142 0 50 FKAA CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 3881556 RSEPBGGWRJCQGY-RBRWEJTLSA-N 356.506 5.350 0 50 FKAA world COc1cc(C=O)ccc1OCCCOc1c(C(C)C)cccc1C(C)C 4702045 DTNOLHCRIOOPIZ-UHFFFAOYSA-N 370.489 5.602 0 50 FKAA CCCC(=O)N(c1ccc(N(C(=O)CCC)[C@@H](C)CC)cc1)[C@@H](C)CC 5614638 SIDWMUIGZWHTCW-ROUUACIJSA-N 360.542 5.550 0 50 FKAA CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C1CCCCC1 12597084 GRNLAQMZLMGVCR-UHFFFAOYSA-N 361.489 5.014 0 50 FKAA C[C@@H]1Cc2ccccc2N1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320506 XYDKYJSUJMLNTI-SNVBAGLBSA-N 354.759 5.342 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 244719214 LYTULOLEGBNPAR-SGPHBRAGSA-N 372.723 5.443 0 50 FKAA Nc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 1857777667 FNRIBANYZYUPLM-UHFFFAOYSA-N 366.564 5.496 0 50 FKAA FC(F)(F)[C@H](N[C@H]1CCCc2ncccc21)c1ccc2ccccc2c1 2325828572 LEYKEBTUAFAZJW-VQTJNVASSA-N 356.391 5.505 0 50 FKAA Cc1cc(C)cc(NC(=O)Oc2c(C)cc(Cl)cc2Br)c1 640813 QKIALWUUYRBNCV-UHFFFAOYSA-N 368.658 5.639 0 50 FKAA Fc1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 1119114 ZPSXACSYKOMVIN-UHFFFAOYSA-N 364.367 5.594 0 50 FKAA CCOc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 2570925 KUYODTRIVBVNIY-OBGWFSINSA-N 371.480 5.328 0 50 FKAA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(C(C)C)cc1 4998974 VFNCBJWPCGQYTR-UHFFFAOYSA-N 356.535 5.925 0 50 FKAA O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](Nc2ccccc2)C1 15065126 DYJHYXCTUXYFIH-QHCPKHFHSA-N 356.469 5.070 0 50 FKAA CCn1c(SCc2c(Cl)cccc2Cl)nnc1C1CCCCC1 17075844 PYWGVBGBDVFSHG-UHFFFAOYSA-N 370.349 5.945 0 50 FKAA Ic1cccc2c1oc1c(-c3ccccc3)cccc12 1857775455 JMSGYMFFKLNFTA-UHFFFAOYSA-N 370.189 5.858 0 50 FKAA O=C(C[C@H](c1cccc(Cl)c1)[C@H]1CCCCCCC1=O)c1ccccc1 624374 COCTZSLDXMVZNK-NHCUHLMSSA-N 368.904 6.236 0 50 FKAA O=C(CCCc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 1125006 CWKCLIAGXKZHRW-UHFFFAOYSA-N 356.425 5.456 0 50 FKAA Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1 1210165 CHKFWJJDFNXDEH-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3252423 IRCVINFJSKFBDN-UHFFFAOYSA-N 373.843 5.445 0 50 FKAA C(=C/c1nc(NCCc2ccccc2)c2ccccc2n1)\c1ccccc1 4700915 GTUGNYSRJRWCFU-FOCLMDBBSA-N 351.453 5.455 0 50 FKAA Cc1nn(Cc2cccc(Cl)c2)c2nc(C3CC3)cc(C(F)(F)F)c12 20604824 RIAPRFHCIJXTET-UHFFFAOYSA-N 365.786 5.338 0 50 FKAA C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257347212 ACKIMFUPMAASSZ-RBXLXXGZSA-N 362.598 5.415 0 50 FKAA Cc1ccc(N=c2nc(-c3ccccc3)n(C=C(Cl)Cl)s2)cc1 334157805 MMJFOYDGDNERPZ-UHFFFAOYSA-N 362.285 5.386 0 50 FKAA CN(Cc1cc(-c2ccccc2)no1)Cc1cc(C2CCCCC2)no1 1529177659 CJAMVLORLVEGPE-UHFFFAOYSA-N 351.450 5.009 0 50 FKAA Cc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C)c1 641774 AYODSZITDDEENH-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)c3ccccc3n2)o1 995121 PCBOVUOBVPRCJV-UHFFFAOYSA-N 356.425 5.672 0 50 FKAA Cc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)c(C)c1 1112793 QCYZEZUKSFQVAW-UHFFFAOYSA-N 366.464 5.449 0 50 FKAA O=C(C(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 1205310 KDIDCTOYWXYMAW-UHFFFAOYSA-N 369.508 5.300 0 50 FKAA CCCCOc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 1791056 OKAYGNQIOXSVCQ-UHFFFAOYSA-N 352.459 5.241 0 50 FKAA COc1ccc(NC(=O)N2c3cc(C)c(C)cc3C(C)=CC2(C)C)cc1 2284818 OBIRVUANKCYLMP-UHFFFAOYSA-N 350.462 5.546 0 50 FKAA O=C(C[C@H](Nc1cccc(Cl)c1)c1ccccc1)c1ccc(F)cc1 2841466 YSPRTRAVPKJXGA-FQEVSTJZSA-N 353.824 5.905 0 50 FKAA Cc1ccc(Oc2c(F)c(F)c(Oc3ccc(C)cc3)c(F)c2F)cc1 2968237 VTZLNTJQQXICCN-UHFFFAOYSA-N 362.322 6.444 0 50 FKAA COc1ccc([C@@H](CCNCc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4029210 YWTIARYUAOPLGM-FYYLOGMGSA-N 367.533 5.164 0 50 FKAA biogenic COc1ccc(-c2ccccc2)cc1NCc1ccc(OC)c2ccccc12 23283400 UERAWOJCGYARCV-UHFFFAOYSA-N 369.464 6.136 0 50 FKAA c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1 728262 BAQYTZSLSKPKEK-UHFFFAOYSA-N 366.380 5.121 0 50 FKAA Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(F)cc1 1059401 SYEVZRFZCNEJQV-UHFFFAOYSA-N 362.429 5.663 0 50 FKAA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(C)cc1 1194082 FYRCLNLAFHMQMA-UHFFFAOYSA-N 365.454 5.153 0 50 FKAA Cc1ccc(/C=C/C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 2115074 AUSYSYAKVYROQC-WUKNDPDISA-N 355.481 5.347 0 50 FKAA Cc1cccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1C 2742037 OEESROQGVUHJEA-UHFFFAOYSA-N 366.464 6.079 0 50 FKAA Cc1cc(=O)oc2cc(OCc3ccc(Cl)cc3Cl)c(Cl)cc12 5214190 MFDGRRGIJSPPDE-UHFFFAOYSA-N 369.631 5.641 0 50 FKAA CC(C)C[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN21 5908272 RWHXWHXPTJXOFU-AZUAARDMSA-N 358.844 5.395 0 50 FKAA Cc1ccccc1CNc1ccccc1NC(=O)c1cccc2c1O[C@H](C)C2 2325843037 QZSQWLKGVVSJOU-QGZVFWFLSA-N 372.468 5.183 0 50 FKAA CCOc1ccccc1NC(=O)COc1ccc(-c2ccc(C)cc2)cc1 945315 YUJGMWDAXCFPBF-UHFFFAOYSA-N 361.441 5.078 0 50 FKAA Fc1ccc(NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1Cl 1123242 PVFQFIGDLUIBRL-UHFFFAOYSA-N 371.868 5.274 0 50 FKAA O=C(Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1)c1ccco1 1124042 GEZWWOWOGKUIGG-UHFFFAOYSA-N 353.381 5.228 0 50 FKAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccccc1C 1139726 CAORIKHTNSHTFB-UHFFFAOYSA-N 365.454 5.071 0 50 FKAA Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 1180936 HBAFHRFDZZTKEH-UHFFFAOYSA-N 360.482 5.097 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1 2163944 OQWFZQCVKCLLOC-UHFFFAOYSA-N 369.336 6.493 0 50 FKAA CC[C@H](NC(=O)c1csc2c1CC[C@H](C)C2)c1ccc(C(C)C)cc1 2801143 JCCRYUMJRSNVLM-YWZLYKJASA-N 355.547 5.877 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1sc2nc(C)c(C)c(C)c2c1N 4707270 OUYNVEUEIVOJAS-UHFFFAOYSA-N 359.882 5.018 0 50 FKAA COC(=O)c1cc2oc3ccccc3c2n1Cc1c(F)cccc1Cl 5135124 XVJFNPPGGKBAQK-UHFFFAOYSA-N 357.768 5.015 0 50 FKAA CC[C@@H](NC(=O)c1oc2ccccc2c1C)C12CC3CC(CC(C3)C1)C2 8198353 CFSUMXBCWYRTGN-LZGZYFLISA-N 351.490 5.466 0 50 FKAA Brc1cc(/C=C/c2ccccc2)ccc1/C=C\c1ccccc1 71787023 BAHVVQDNBZYNGR-UDPMFAINSA-N 361.282 6.790 0 50 FKAA COc1ccccc1Oc1ccc(NC(=O)N2CCCCCCC2)cc1 244673555 HRLRPUZZOCMDJP-UHFFFAOYSA-N 354.450 5.286 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253499207 HIAJCGFYHIANNA-RCZCEPRVSA-N 374.565 5.427 0 50 FKAA O=C1C[C@@H](c2ccsc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263586448 UORYPMXUJGNOGN-KRWDZBQOSA-N 358.466 5.225 0 50 FKAA biogenic Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)c2c(c1)[C@H](C)CCN2 2325842282 TURLMRQOAHXORE-QGZVFWFLSA-N 372.468 5.959 0 50 FKAA O=S(=O)(Nc1ccccc1-c1ccccc1)c1sccc1C1CC1 2325866199 DBVDSDXGKMBCKN-UHFFFAOYSA-N 355.484 5.093 0 50 FKAA O=C1CCCC[C@H]1Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 633857 JCSQRBHGMYPRAF-GOSISDBHSA-N 368.816 5.004 0 50 FKAA O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(F)cc3)cc12 634137 JYMWWCZCGYKXAB-UHFFFAOYSA-N 362.356 5.516 0 50 FKAA biogenic Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl 2516092 RPUMZMSNLZHIGZ-UHFFFAOYSA-N 360.882 7.274 0 50 FKAA biogenic CCN(CC)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2965040 YJJHQGBSBLTPGI-UHFFFAOYSA-N 374.484 5.364 0 50 FKAA O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2Cl)o1 5014151 JYDIDNMKIVGUQV-UHFFFAOYSA-N 355.865 5.299 0 50 FKAA CCCC1=C(C(C)C)NC(C(C)C)=C([C@H](C)O)[C@@H]1c1ccc(F)cc1O 212192303 OINVVPOIGFSNHM-VBKZILBWSA-N 361.501 5.219 0 50 FKAA CC[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 916995266 IHJCNQWSNMEVJT-IAGOWNOFSA-N 357.803 5.133 0 50 FKAA O=C(CSc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 904215 VJFZUCABVHTPPH-UHFFFAOYSA-N 362.479 5.333 0 50 FKAA CC(C)C[C@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 2250766 YZIUAMHPYPJSNI-KPZWWZAWSA-N 364.898 5.365 0 50 FKAA O=C(Nc1ccncc1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 2836663 JRNYSKXDIKZELL-UHFFFAOYSA-N 373.239 5.220 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCSc2cc(Cl)ccc21 3016132 COMPKQBVJIHYSQ-UHFFFAOYSA-N 372.799 5.503 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 13552966 WPGSJVUKSMYCJB-DJEYIWCMSA-N 357.497 5.232 0 50 FKAA Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 147163176 JHTFPRFKUMCPIU-NMTVRYLGSA-N 368.565 5.207 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)cc1 248124822 ZPBADUMYLROSHU-GMAHTHKFSA-N 358.416 5.376 0 50 FKAA Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 656489 RSDIZVQFCKLATE-ZDUSSCGKSA-N 366.288 5.831 0 50 FKAA Cc1cccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)c1 1127410 URVREDSCKFWKNA-SJORKVTESA-N 359.260 5.040 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc12 1893432 ZKIWMOPAIKPGCM-UHFFFAOYSA-N 363.240 5.631 0 50 FKAA CCCCC(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2C)C[C@H]1C 2294454 LIBNLSDLFDLODY-NQIIRXRSSA-N 350.506 5.772 0 50 FKAA O=C(Nc1nc2ccccc2s1)C1c2ccccc2Oc2ccccc21 2497074 NKOPNLUYOHOGFZ-UHFFFAOYSA-N 358.422 5.173 0 50 FKAA aggregator Cc1cc(C)cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1 2759730 TYBURUIZQZYGKP-UHFFFAOYSA-N 374.271 5.107 0 50 FKAA O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1 2793759 LRMBNHPVNYDVRS-STQMWFEESA-N 372.198 5.337 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 2839578 YTXPFHKMQGBWDR-UHFFFAOYSA-N 365.432 6.398 0 50 FKAA S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 2846242 OSYAPELWSVIFJV-UHFFFAOYSA-N 354.862 5.941 0 50 FKAA O=C(Nc1ccc(F)cc1F)c1cccc2c(Br)cccc12 2998389 UKMHEQHHFZWYJK-UHFFFAOYSA-N 362.173 5.133 0 50 FKAA COc1ccccc1[C@@H](CCNCc1ccccc1)[C@H]1CCOC(C)(C)C1 4027687 HWUFYAOJZSCVJE-SFTDATJTSA-N 367.533 5.164 0 50 FKAA biogenic CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@H]4C(=O)c3ccccc3)[C@]2(C)CC1 257359093 YKMWBUJFIQUVEI-PMXDAZRTSA-N 362.557 6.838 0 50 FKAA Cc1nc([C@H](C)N(C)C(=O)CCc2ccc(-c3cccs3)o2)c(C)s1 952970084 CCINXTFBPKUAIZ-LBPRGKRZSA-N 374.531 5.234 0 50 FKAA O=C(c1ccc(COc2cccc3ccccc23)cc1)N1CCCCCC1 671952 AXKWHHHIFAEIDW-UHFFFAOYSA-N 359.469 5.435 0 50 FKAA CC1(C)[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1C=C(Cl)Cl 726928 GMAFSKUKRBCUPM-QPUJVOFHSA-N 353.076 5.523 0 50 FKAA Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1123811 XCPXHJKLAWWQCL-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA CCn1c2ccccc2c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc21 2824618 ORTOCVAFAMBNDI-UHFFFAOYSA-N 365.436 5.480 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3c(F)cccc3F)cc2)cc1 2877352 MZGYCUKTDGBQDS-UHFFFAOYSA-N 369.436 5.818 0 50 FKAA CCOc1ccccc1OCCOc1cccc(Oc2ccccc2)c1 2984856 HWEFZQHPBIOTIL-UHFFFAOYSA-N 350.414 5.335 0 50 FKAA CCCCSc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1 2995746 XXBWHBNUTXEQLY-UHFFFAOYSA-N 360.479 5.240 0 50 FKAA O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cccc(F)c1 4810695 KEXJTNWGUDHJKR-UHFFFAOYSA-N 374.440 5.869 0 50 FKAA C[C@H](NCC[C@@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1 4865674 WMXGLVQQFHUUQE-PXNSSMCTSA-N 353.893 6.000 0 50 FKAA Clc1ccc(-c2csc3ncnc(NCc4ccncc4)c23)cc1 12600658 YBRBZCLEHZTJIQ-UHFFFAOYSA-N 352.850 5.019 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13329925 XBOVGXKPWXIVEY-JTQLQIEISA-N 357.668 5.838 0 50 FKAA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(F)cc1 865358 HYQCERXUTJGYDW-UHFFFAOYSA-N 350.324 5.025 0 50 FKAA O=C(CSc1ccc(Br)cc1)Nc1ccc2ccccc2c1 1148813 MFGKBZJHRFKUDJ-UHFFFAOYSA-N 372.287 5.333 0 50 FKAA Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 1206903 MKJITCFSXSHZNX-UHFFFAOYSA-N 360.240 6.123 0 50 FKAA aggregator CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 1530689 NKANXQFJJICGDU-QPLCGJKRSA-N 371.524 5.996 0 50 FKAA biogenic,fda c1ccc(-c2ccc([C@H](c3ccccc3)n3cnc4ccccc43)cc2)cc1 1951813 MTDWKNDHYMZWRP-SANMLTNESA-N 360.460 6.341 0 50 FKAA Cc1ccc([C@]2(CCNCc3ccccc3)CCO[C@@H](C(C)C)C2)cc1 2238574 PGPBHEFCMXSXDQ-DNQXCXABSA-N 351.534 5.248 0 50 FKAA Cc1ccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)cc1 2262225 GYFUYPBHIZFTIK-UHFFFAOYSA-N 366.555 6.521 0 50 FKAA Cc1cc(N[C@@H](C)c2ccccc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2363769 AOHWFRBETIPKOH-HNNXBMFYSA-N 362.864 5.531 0 50 FKAA CCCCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 2493838 RNVXVMNSTMVIPF-UHFFFAOYSA-N 358.290 5.137 0 50 FKAA Cc1ccc(-c2c(C(=O)Nc3ccccc3F)oc(=O)c3ccccc23)cc1 2939896 SMZPVHMZTATDPT-UHFFFAOYSA-N 373.383 5.160 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 5041671 HCOPPMKTBVDAJD-UHFFFAOYSA-N 362.473 5.569 0 50 FKAA CC(=O)c1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 5093335 QYFYMDYBFMQQCC-UHFFFAOYSA-N 374.223 5.708 0 50 FKAA Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 5557363 QRSCMYBTERWHIX-UHFFFAOYSA-N 365.502 5.183 0 50 FKAA COc1ccc(Cl)cc1NCCC(=O)c1ccc(-c2ccccc2)cc1 6170669 DLPZWIUMVHXSSS-UHFFFAOYSA-N 365.860 5.701 0 50 FKAA Cc1cccc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)n1 12143931 AFJMEAXPKHRZLZ-SFHVURJKSA-N 353.491 5.224 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(Br)c(Cl)c2)c(C)c1 13736841 QXWCXQAKOKVHJK-UHFFFAOYSA-N 353.647 5.363 0 50 FKAA Cc1ccc(-c2nc(CN3CCC(Cc4ccccc4)CC3)c(C)o2)o1 14954403 YRMQUISCVSHZFS-UHFFFAOYSA-N 350.462 5.006 0 50 FKAA Nc1c2c(nc3oc(-c4ccccc4)cc13)C[C@H](c1ccccc1F)CC2=O 334161260 XMCLQHQUICWXGX-AWEZNQCLSA-N 372.399 5.129 0 50 FKAA c1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CCCCC3)=N2)cc1 1775937630 UCQNNOPAGMJZGM-NHCUHLMSSA-N 374.484 5.277 0 50 FKAA FC(F)(F)Cc1ccc(-c2nccn2CCCC[C@@H]2CCCO2)cc1 1857684818 FOZZVNHHXQAYIP-QGZVFWFLSA-N 352.400 5.004 0 50 FKAA CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)cc1 756620 KDMQIHRTDPRHCJ-QGZVFWFLSA-N 352.286 5.334 0 50 FKAA CCOc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)cc1 1120286 OGBYIJGMADCZOY-UHFFFAOYSA-N 369.646 5.145 0 50 FKAA Cc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1161472 WPUPGDTVZIIABU-UHFFFAOYSA-N 353.425 5.100 0 50 FKAA Cc1cc(C)c2c(N)c(C(=O)Nc3cc(Cl)ccc3Cl)sc2n1 1425734 KMHIUNTVWMAUJA-UHFFFAOYSA-N 366.273 5.054 0 50 FKAA Cc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 2165924 FTOSSKOWCXIZNV-UHFFFAOYSA-N 360.519 5.477 0 50 FKAA CCc1ccc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc1 2736261 BXFGFRQWILPWNI-UHFFFAOYSA-N 372.512 5.917 0 50 FKAA CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(C)cc1 2978499 JTNLMGCLYOBISS-UHFFFAOYSA-N 370.905 5.977 0 50 FKAA CN(C1=NC(=O)[C@@H](c2ccccc2)[C@H](c2ccccc2)S1)c1ccccc1 5569854 FGCZHNAOOBAQQP-SFTDATJTSA-N 372.493 5.277 0 50 FKAA Cc1ccccc1Nc1nc([C@]2(C)C[C@H](CCC(C)C)C(=O)O2)cs1 819881 WGRJUOXIPVHBJJ-YWZLYKJASA-N 358.507 5.410 0 50 FKAA CCN(CC)C(=O)C[C@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 1118285 JNLFJBMLFAJVIC-JOCHJYFZSA-N 353.506 5.173 0 50 FKAA COc1c(Cl)cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl 2856880 FRARRKABYMVFEL-UHFFFAOYSA-N 372.251 5.921 0 50 FKAA O=C(N[C@@H](SCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 3129983 TXHYBPRLPPJPRS-HNNXBMFYSA-N 374.720 5.046 0 50 FKAA Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccc(F)cc3)nc2c1 4625449 MHQHBKXXDVIERZ-UHFFFAOYSA-N 353.485 6.076 0 50 FKAA CCCCCc1ccc(-c2ccc(/C=C/C(=O)N3CCCCC3)cc2)nc1 5393202 NCJYJNCEMKRGRV-FOWTUZBSSA-N 362.517 5.507 0 50 FKAA CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2Cl)C1 5525648 DOGYPPMIZGQYII-HZPDHXFCSA-N 368.691 5.175 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 5675817 RABRBKKFNGMOGY-UHFFFAOYSA-N 367.619 5.198 0 50 FKAA O=C(Nc1ccccc1F)c1ccc(CSc2ccc(Cl)cc2)cc1 6215745 OZMGHYRIQNDEBO-UHFFFAOYSA-N 371.864 6.024 0 50 FKAA O=C(Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1)c1ccc(F)cc1 9170656 PKAGHHXBPRMYRU-UHFFFAOYSA-N 370.493 5.293 0 50 FKAA CCCC[n+]1c(C)c2ccc(/C=C3\C=CN(C)c4ccccc43)ccc-2c1C 145629092 ZKFBHZGXMKSUTC-UHFFFAOYSA-N 369.532 6.000 0 50 FKAA Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@H]2[C@H]3c2ccccc2)cc1 254757141 ANMYJSNMBSBREG-FOMDFCNTSA-N 358.872 5.575 0 50 FKAA Cc1ccccc1C[C@H](CO)CN[C@@H](c1ccc(F)cc1)C1CCCCC1 2325842118 OQEVFMVJJDSMGQ-YADARESESA-N 369.524 5.196 0 50 FKAA CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 1049205 RYLOIKBYLOTNOA-CQSZACIVSA-N 367.474 5.486 0 50 FKAA CCc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4)cc3)nc2c1 1212117 DKMIXMKZSAHILZ-UHFFFAOYSA-N 372.424 5.075 0 50 FKAA Cc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1C 1768767 XRIUEKJDDHDDPC-UHFFFAOYSA-N 373.496 5.647 0 50 FKAA Fc1ccc(CSc2nnc(SCc3ccc(F)cc3)s2)cc1 1817142 BAMLFYAMTVTUFU-UHFFFAOYSA-N 366.483 5.401 0 50 FKAA CCN(CC)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)c(C)c1 2857362 XLIACVYUIRHNPW-UHFFFAOYSA-N 366.892 5.900 0 50 FKAA CCOc1ccc2c(=O)c(-c3ccccc3C)c(C(F)(F)F)oc2c1C 2994556 DDSOUZLTIHHGKJ-UHFFFAOYSA-N 362.347 5.494 0 50 FKAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(F)c(F)c1 4031477 XJQJSWAEHGBVPA-UHFFFAOYSA-N 371.770 5.102 0 50 FKAA O=C(CCc1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1 4542697 KJCWSYKFOMEAHL-UHFFFAOYSA-N 370.246 5.280 0 50 FKAA COc1cc(CN2CCC[C@H]3CCCC[C@H]32)ccc1OCc1ccccc1 5578098 IHNCFNGQGGJKIM-FGZHOGPDSA-N 365.517 5.429 0 50 FKAA COc1ccc2ccccc2c1CN[C@@H](C)c1cnn(-c2ccccc2)c1C 12715787 UQWLOYOOFLBKJQ-KRWDZBQOSA-N 371.484 5.193 0 50 FKAA C[C@H](NC(C)(C)CNCc1cccc(CC2CCC2)c1)c1ccccc1 2325841120 DIRSYBKQOMSMNP-IBGZPJMESA-N 350.550 5.248 0 50 FKAA O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(F)cc1 653787 HYPIFAZJIFULKJ-UKTHLTGXSA-N 357.793 5.038 0 50 FKAA COc1ccccc1-c1coc2cc(OCCc3ccccc3)ccc2c1=O 939362 PWTBZGXYVINFFP-UHFFFAOYSA-N 372.420 5.090 0 50 FKAA biogenic COc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 982804 IWDIAGOWRFYAFQ-UHFFFAOYSA-N 363.457 5.203 0 50 FKAA CC(C)c1ccc2oc(-c3cccc(NC(=O)Cc4ccccc4)c3)nc2c1 1144507 ZZFHINCATWVXOJ-UHFFFAOYSA-N 370.452 5.799 0 50 FKAA O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(Cl)cc1 1220847 GFTPKYDATSHPNG-UHFFFAOYSA-N 363.269 5.293 0 50 FKAA O=C(Nc1ccccc1N1CCCCC1)c1sc2ccccc2c1Cl 2236901 FBZWJQKDSAJNEI-UHFFFAOYSA-N 370.905 5.797 0 50 FKAA CCCCOc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 2929512 XEENPUDZBUENEM-UHFFFAOYSA-N 357.453 5.689 0 50 FKAA COc1cc2c(cc1NC(=O)C(c1ccccc1)c1ccccc1)CCCC2 2989718 WPGMCEKTWKYFMJ-UHFFFAOYSA-N 371.480 5.345 0 50 FKAA aggregator CCC/C=C(\C(=S)Nc1ccccc1)n1c2ccccc2c2ccccc21 5307727 AQVJNJVYGLNSNV-HZHRSRAPSA-N 370.521 6.875 0 50 FKAA CC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 13328962 UGGOIJHKHFUVEW-HNNXBMFYSA-N 357.668 5.920 0 50 FKAA O=C(c1cccc2ccccc12)c1cn(CCCCCCO)c2ccccc12 71746314 LBVZVDUWOZUDJT-UHFFFAOYSA-N 371.480 5.578 0 50 FKAA in-vitro Cc1cccc(C(=O)N2N=C(c3ccsc3)C[C@H]2c2ccsc2)c1 170618213 NSNAWHYLTXLJSG-SFHVURJKSA-N 352.484 5.110 0 50 FKAA CC(C)c1ccc(NC(=S)N(C(C)C)C(C)C)c(Br)c1 258833896 NDGDGSDDNNAYAI-UHFFFAOYSA-N 357.361 5.388 0 50 FKAA c1ccc(-c2nc(-c3cccc([C@@H]4CCOC4)c3)n(-c3ccccc3)n2)cc1 1875349312 TUBLUDMBCPULSN-OAQYLSRUSA-N 367.452 5.105 0 50 FKAA CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C)c1-c1ccccc1 663062 JYQHWRQKJLGRLM-UHFFFAOYSA-N 369.442 5.054 0 50 FKAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4F)c3)nc2c1 724122 CZZYHCCSRLHGNO-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA CC(=O)c1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 1114851 ARRNRIBSZVOPFZ-UHFFFAOYSA-N 373.330 5.420 0 50 FKAA CC(=O)c1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 1120006 UXWJIWPVZFTJAG-UHFFFAOYSA-N 356.731 5.205 0 50 FKAA O=C(NCCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12 1147122 OIVTYOWJQRHCCE-UHFFFAOYSA-N 370.427 5.013 0 50 FKAA CCC(NC(=O)Nc1c(C)cc(C)cc1C)(C(F)(F)F)C(F)(F)F 1225625 DHSSFQWXDJONBK-UHFFFAOYSA-N 356.310 5.007 0 50 FKAA biogenic CCn1c2ccccc2c2cc(NC(=O)COc3cc(C)ccc3C)ccc21 2162953 WSXGCQIHONXFJV-UHFFFAOYSA-N 372.468 5.449 0 50 FKAA CC(C)(C)c1ccc(-c2nnc(SC/C=C/c3ccccc3)o2)cc1 2862979 ZQPQAQJLDOSYIP-JXMROGBWSA-N 350.487 5.840 0 50 FKAA Cc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1 3912944 HHNFXSXUAVTDHF-SDNWHVSQSA-N 356.400 5.004 0 50 FKAA O=C(Cc1ccc2c(c1)CCCC2)NC(c1ccccc1)c1ccccc1 4808504 QJIDNCCYFVTMIO-UHFFFAOYSA-N 355.481 5.014 0 50 FKAA Cc1cc(NC(=O)N2CCC[C@H]2c2cccs2)ccc1Br 15837676 DWGSCLXXZSZKEP-AWEZNQCLSA-N 365.296 5.188 0 50 FKAA Cc1cnn([C@@H](C)C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1 17076183 NPZIKKKXEPIGSA-AWEZNQCLSA-N 371.893 5.196 0 50 FKAA COc1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)c(OC)c1C 19841314 NTDZDEGTHKCBEQ-QFIPXVFZSA-N 361.485 5.086 0 50 FKAA C(=C/c1ccccc1)\CN1CCN(C2CCC(c3ccccc3)CC2)CC1 22455893 WYFXCIYLVBYPGA-JXMROGBWSA-N 360.545 5.044 0 50 FKAA Cc1ccc(NC(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)cc1 1875318224 PPIXLXKLNXJHCQ-QHCPKHFHSA-N 364.533 6.562 0 50 FKAA CCOc1ccc(Cl)cc1[C@H]1CC(=O)Nc2c1ccc1ccccc21 1070394 MUNYTTANROKVOP-KRWDZBQOSA-N 351.833 5.366 0 50 FKAA Cc1c(NC(=O)c2ccco2)cccc1-c1nc2cc(Cl)ccc2o1 1212533 QGOLQWNWAJCNGH-UHFFFAOYSA-N 352.777 5.302 0 50 FKAA Oc1csc(Cc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1 1385067 QOOSZVJRQSFDSU-UHFFFAOYSA-N 350.468 5.230 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)Oc1cccc(C(F)(F)F)c1 2173748 DJVJBEUBCUBOHG-UHFFFAOYSA-N 350.123 5.623 0 50 FKAA Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1Cl 2175754 YLTOZTQZBJEWDM-HUUCEWRRSA-N 354.664 5.174 0 50 FKAA COc1ccc(-c2ccccc2)cc1NCc1cccc(Br)c1 2893985 WHNGTEQJLFCHSK-UHFFFAOYSA-N 368.274 5.737 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1C 3002475 GBNFGNBIAFCNND-UHFFFAOYSA-N 358.466 5.832 0 50 FKAA CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1ccc1c(O)cccc21 4913798 ZVIFSBLFDAPJEG-IBGZPJMESA-N 361.441 5.198 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(Cl)c2)n1 5671219 FLKAZVJYCZPURB-UHFFFAOYSA-N 367.619 5.198 0 50 FKAA Cc1cc2nc(C(C)C)cc(N[C@H](c3ccncc3)c3ccccc3C)n2n1 72422266 NYBYJPCQDQMZPB-HSZRJFAPSA-N 371.488 5.066 0 50 FKAA CCC[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccc(F)cc1 227154805 IOMGOAKHQUYYSK-GOSISDBHSA-N 366.436 5.103 0 50 FKAA Cc1cccc(NC(=O)N[C@H](c2ccccc2)[C@H]2C[C@H]2c2ccccc2)c1 1875318879 YBKYIXSMLKWUEA-RJGXRXQPSA-N 356.469 5.662 0 50 FKAA Cc1cc(N2CCCC[C@H]2C)ccc1N[C@H](C)c1ccc(N(C)C)nc1 1875341648 ASWQJGFDKGZEES-QZTJIDSGSA-N 352.526 5.008 0 50 FKAA CCOc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 628667 STZSKWMPQWCTEU-UHFFFAOYSA-N 370.301 5.264 0 50 FKAA Cc1cccc(C[C@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1 824729 GROOKPHVLDTGFU-GOSISDBHSA-N 366.468 5.317 0 50 FKAA COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 1141958 JVXKCEVWKDQNGM-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA Cc1cccc(NC(=O)OCCOc2ccc(Cl)cc2Cl)c1C 2171773 VBRIXXJZFXTDIQ-UHFFFAOYSA-N 354.233 5.238 0 50 FKAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(C)cc1 4037173 IDXCORARKVKTTC-UHFFFAOYSA-N 365.454 5.153 0 50 FKAA Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4854021 UBVXHUKPVXAOFV-GMAHTHKFSA-N 374.871 5.891 0 50 FKAA COc1cccc(-c2noc(-c3c(-c4ccccc4Cl)noc3C)n2)c1 4858353 HNAMLFKAZHEVRO-UHFFFAOYSA-N 367.792 5.029 0 50 FKAA Cc1ccc(-c2cc3cc4sc(-c5ccc(C)cc5)cc4cc3s2)cc1 86032309 DWVXIELPJDWPNY-UHFFFAOYSA-N 370.542 8.067 0 50 FKAA CC(C)(C)c1ccc(C(=O)c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)cc1 95921832 NBMFYZCQYAQAJG-UHFFFAOYSA-N 372.679 5.096 0 50 FKAA CCN1CCC[C@H]1CN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 249701201 YFPIRWFEOJUQFS-HKUYNNGSSA-N 372.965 5.162 0 50 FKAA CCCCOc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1C 1875302777 HEJYPMVKHNHLKN-UHFFFAOYSA-N 370.470 5.095 0 50 FKAA Cc1[nH]c(-c2ccc(-c3ncc(Cl)cc3Cl)o2)nc1-c1ccccc1 1875390155 YMVFJINZODPMAQ-UHFFFAOYSA-N 370.239 6.014 0 50 FKAA Cc1c(C(=O)NCc2ccc(Oc3ccccc3)cc2)oc2ccccc12 2050025051 QFOVVTRCLORRQQ-UHFFFAOYSA-N 357.409 5.464 0 50 FKAA Cc1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1Cl 636875 RHNVRQMCUNINKJ-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl 640493 BZUWMEIWPGXNTG-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Cc1cccc(C)c1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 709324 YGKWZSAXHRVHLS-UHFFFAOYSA-N 361.470 5.265 0 50 FKAA Cc1nc2ccccn2c1-c1csc(Nc2cccc(Cl)c2C)n1 888755 ZMFOBYNPKJLDRO-UHFFFAOYSA-N 354.866 5.472 0 50 FKAA COc1ccc(-c2nc3ccccc3n2CCOc2ccccc2C)cc1 1049454 GFODIILLXIXKEE-UHFFFAOYSA-N 358.441 5.099 0 50 FKAA Cc1cccc(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 1072838 IHVWUXSQAANWSO-UHFFFAOYSA-N 362.860 5.625 0 50 FKAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 1807002 XFLDPQRGEATPRF-UHFFFAOYSA-N 357.331 5.505 0 50 FKAA O=C(c1ccccc1)c1ccc(CSc2nc3ccccc3s2)cc1 2814383 VOOAXYLTAHSLAS-UHFFFAOYSA-N 361.491 5.820 0 50 FKAA CCOc1ccccc1OCCCCOc1cccc(Cl)c1Cl 2994806 XXVFZDZHGZAJIV-UHFFFAOYSA-N 355.261 5.630 0 50 FKAA Cc1cc(C)c(C(c2cc(C)c(C)cc2C)C(Cl)(Cl)Cl)cc1C 3122180 WBIGEXWYZUYKLH-UHFFFAOYSA-N 369.763 7.039 0 50 FKAA COc1ccc(C(Cl)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 4537875 OBFCMKPFILBCSQ-UHFFFAOYSA-N 368.860 5.243 0 50 FKAA CCOc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)cc1 15866971 CTVWNVCUSNKJQO-GOSISDBHSA-N 358.507 5.604 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 101699554 LYTULOLEGBNPAR-AAVRWANBSA-N 372.723 5.443 0 50 FKAA Cc1ccccc1C(=O)Nc1ncc(-c2ccc(Br)cc2)s1 138563585 GJCXPQUYVBLDTC-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1c(F)cccc1Cl)N2 169679172 RQAYLZVUULMIHY-GMWJVRMOSA-N 371.839 5.474 0 50 FKAA C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](C)c1ccccc1C(F)(F)F 1875306020 PRKJSCWZXXLUGN-NWDGAFQWSA-N 370.802 5.673 0 50 FKAA Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c2ccccc12 2325871545 PPNDLXUCVDIZCL-UHFFFAOYSA-N 366.269 5.256 0 50 FKAA O=C(Cc1cccc2ccccc12)Nc1ccc(Nc2ccccc2)cc1 675205 UOARAPPFLSROKB-UHFFFAOYSA-N 352.437 5.765 0 50 FKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1csc2ccccc12 1056268 OJMIFYCJOKDUKW-UHFFFAOYSA-N 355.768 5.826 0 50 FKAA Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C 1555526 YSMRWXYRXBRSND-UHFFFAOYSA-N 368.369 6.257 0 50 FKAA biogenic Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OCC(C)C)c2c1 2079512 BZKITOFNVMXFST-UHFFFAOYSA-N 353.849 5.676 0 50 FKAA O=C(COc1cc(Cl)ccc1Cl)Nc1cccc(C(F)(F)F)c1 2596071 HZYGGALDTSMDQJ-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA Sc1nnc(-c2cccs2)n1-c1ccc(Oc2ccccc2)cc1 5557182 UCDQWMOHVXQLRG-UHFFFAOYSA-N 351.456 5.077 0 50 FKAA c1ccc(COc2ccc(CN3CCc4c([nH]c5ccccc45)C3)cc2)cc1 6667533 HOZPYLQWAFVVEZ-UHFFFAOYSA-N 368.480 5.305 0 50 FKAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)nn1 72115684 MVHDXMIRDDBYJD-UHFFFAOYSA-N 370.412 5.375 0 50 FKAA CCOC(=O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 257349368 NROMSNOPHMXOQW-AXGJTTQDSA-N 362.554 5.368 0 50 FKAA C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)Nc1ccc(F)cc1 1875305897 LWJOUQVCQFYRTQ-LJQANCHMSA-N 364.823 5.247 0 50 FKAA CCC[C@@H](Nc1cnn(CCF)c1)c1ccc(Oc2ccccc2)cc1 2325822401 VJXTVWJJOIHEHR-OAQYLSRUSA-N 353.441 5.598 0 50 FKAA FC(F)(F)c1cc(-c2ccco2)nc2c(-c3ccc(Cl)cc3)cnn12 1060223 BOBSMKVNTRMMQQ-UHFFFAOYSA-N 363.726 5.329 0 50 FKAA Cc1c(C)c2ccc(OCc3cccc(Br)c3)c(C)c2oc1=O 1154068 KALCOGCTTFTMBY-UHFFFAOYSA-N 373.246 5.060 0 50 FKAA CCc1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 2081495 SBFFXJQZHJPFGQ-UHFFFAOYSA-N 366.464 6.025 0 50 FKAA CC(C)[C@H]1C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1 4181375 MSNDYHDGMIZQPJ-DHIUTWEWSA-N 355.497 5.078 0 50 FKAA Cc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 4187021 RCGZZIYNKKOUCY-DEOSSOPVSA-N 367.448 6.021 0 50 FKAA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1Cl 4323812 LSKMEPNCBWXBFV-UHFFFAOYSA-N 370.235 5.477 0 50 FKAA CCCc1ccc(Oc2c[nH]nc2-c2ccc(OCC)c(C)c2O)cc1 4756227 RCOGTTOYCOZRCK-UHFFFAOYSA-N 352.434 5.234 0 50 FKAA CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1O 13860561 WPUCRISSEKWRQP-CQSZACIVSA-N 359.485 5.846 0 50 FKAA Cc1oc(-c2cccc(F)c2F)nc1CN1CCc2c(Cl)cccc2C1 20481242 LQVZAAHUEWBLGT-UHFFFAOYSA-N 374.818 5.140 0 50 FKAA C[C@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1C1CCOCC1 65381113 JCAKHILZHDPQEP-GOSISDBHSA-N 370.537 5.021 0 50 FKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21 169743809 SQNJTVRBGMQSBC-UHFFFAOYSA-N 352.392 6.427 0 50 FKAA in-vitro CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C=CCC[C@]4(C)[C@@H]3CC[C@]12C 248274556 RLHIRZFWJBOHHD-LIMLEHFYSA-N 368.649 8.194 0 50 FKAA COc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 636992 HHCSONSSOUKPGD-UHFFFAOYSA-N 352.242 5.469 0 50 FKAA CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)cc2Cl)c1 1207580 WDFGCHDLMFOILR-UHFFFAOYSA-N 354.233 5.043 0 50 FKAA Cc1cccc2c(C(=O)N3[C@@H](C)CCC[C@@H]3C)cc(-c3cccnc3)nc12 1460013 BGYQVBDDHNDVLW-IRXDYDNUSA-N 359.473 5.008 0 50 FKAA CCOc1ccc(/C=C/C(=O)Oc2ccc(-c3ccccc3)cc2)cc1OC 1774148 MKHXDAWABQGDIM-MHWRWJLKSA-N 374.436 5.380 0 50 FKAA CCCCOc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526046 VALGRPPRSFXQFV-UHFFFAOYSA-N 355.821 5.432 0 50 FKAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 2732519 LHWCYJROHOBLPE-UHFFFAOYSA-N 371.309 5.047 0 50 FKAA O=C1O[C@](Nc2cccc3ccccc23)(c2ccccc2)c2ccccc21 2771308 SULZLEMXAMBNLX-XMMPIXPASA-N 351.405 5.323 0 50 FKAA COc1ccccc1OCCCCOc1c(C)cc(Cl)cc1Cl 2991396 AZPBQNGDOPTTLB-UHFFFAOYSA-N 355.261 5.548 0 50 FKAA Cc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1C 4991209 JSIISDXHLBILJD-UHFFFAOYSA-N 359.347 5.835 0 50 FKAA O[C@@](c1ccccc1)(c1cccs1)[C@H](c1ccccc1)c1ccccn1 71767146 WBLWRRKGSJSNGM-PKTZIBPZSA-N 357.478 5.211 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1cccn1C 169745199 DINAKCGOEKXDTP-UHFFFAOYSA-N 370.169 5.081 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@](C)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 257349642 PRTAHSZPJNARHZ-JINOFHLOSA-N 372.549 5.476 0 50 FKAA CCOc1ccccc1NC(=S)N(CC)[C@@H](CC)Cc1ccc(C)cc1 2325736606 YQUVONLZXCCPAN-IBGZPJMESA-N 370.562 5.434 0 50 FKAA COc1cccc(CCNc2ncnc3sc(-c4ccccc4)cc23)c1 2325854334 YJRVKTBZXJMUEJ-UHFFFAOYSA-N 361.470 5.022 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1194769 HKKKQUSNLUYFEO-UHFFFAOYSA-N 358.397 5.146 0 50 FKAA COc1ccc(N[P@@](C)(=O)O[C@H](c2ccccc2)C(F)(F)F)cc1 1231928 QTJGMRADBUCYDH-MYYSRTQBSA-N 359.284 5.250 0 50 FKAA O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCCCC1 2738594 LZSXKBLKRXFPPX-UHFFFAOYSA-N 350.849 5.181 0 50 FKAA O[C@]12CCCC[C@H]1[C@H](c1cccc(Oc3ccc(Cl)cc3)c1)NCC2 4031334 VTIHRPRDWGOLPD-ACRUOGEOSA-N 357.881 5.088 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC3(C)C)cc1 4854108 XNPMSFJCJNXCKU-KRWDZBQOSA-N 371.278 5.037 0 50 FKAA Cc1ccc(NP(=O)(Oc2ccccc2C)Oc2ccccc2C)nc1 6076241 BCOLFVKKWSMGLS-UHFFFAOYSA-N 368.373 5.685 0 50 FKAA COc1ccc(CC[C@H](C)NCCC(c2ccccc2)c2ccccc2)cc1 6667606 QSJUSEFRZAVDFN-NRFANRHFSA-N 373.540 5.828 0 50 FKAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@H]1c1ccc(Cl)cc1 21525305 HDFQGOUWFPXBCQ-HNNXBMFYSA-N 358.850 5.034 0 50 FKAA CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1 55168500 SXGOKAUBXXCAAC-UHFFFAOYSA-N 360.516 7.845 0 50 FKAA CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 851716 VBFUKXSHRMOKHM-JOCHJYFZSA-N 358.441 5.029 0 50 FKAA CC(C)c1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1 1177975 BGVDFQNSSFHQGE-UHFFFAOYSA-N 370.449 5.443 0 50 FKAA Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(Cl)cc1 1184203 SDJASOGHDLPASM-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA S=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1Cl 1185009 VADXKBJLAGFANN-UHFFFAOYSA-N 364.301 5.004 0 50 FKAA CCCc1ccc(OCc2ccc(C(=O)Nc3ccccc3Cl)o2)cc1 2764283 IBLYDWNGOGUNAP-UHFFFAOYSA-N 369.848 5.717 0 50 FKAA CCCCc1cc(=O)oc2cc(OCc3c(F)cccc3Cl)ccc12 2820748 AAPIECRLCUQTMN-UHFFFAOYSA-N 360.812 5.507 0 50 FKAA COc1ccccc1OCCCn1cc(C(=O)C(C)(C)C)c2ccccc21 2873947 WRAABSYOTLQZOQ-UHFFFAOYSA-N 365.473 5.348 0 50 FKAA COc1ccc(CNCC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4027069 HBNBFAARFWTUME-GGAORHGYSA-N 367.533 5.164 0 50 FKAA biogenic Fc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccccc3F)C2)cc1 5073954 CTSNKRWWLFZVIV-OAQYLSRUSA-N 368.814 5.974 0 50 FKAA O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1cccc2ccccc12 12376023 LGHGHDQNCORZBO-DEOSSOPVSA-N 364.448 5.320 0 50 FKAA CCc1oc2ccccc2c1CN(C)C(=O)Nc1cccc2cnccc12 170620594 QZWOXCLBXAIFOJ-UHFFFAOYSA-N 359.429 5.207 0 50 FKAA Cc1cn(Cc2ccc(C3CCCCC3)cc2)c(=O)n1-c1ccccc1F 2325864222 JJMPEJQELGONMT-UHFFFAOYSA-N 364.464 5.183 0 50 FKAA O=C(Nc1ccc2c(c1)OCO2)c1sc2cccc(Cl)c2c1Cl 724412 CCLCMVIEIUGUHH-UHFFFAOYSA-N 366.225 5.189 0 50 FKAA Cc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1Cl 2175757 YLTOZTQZBJEWDM-GJZGRUSLSA-N 354.664 5.174 0 50 FKAA CCc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 2737967 HYPJSHCUFAWFJL-UHFFFAOYSA-N 367.314 5.600 0 50 FKAA C[C@@H](NCC[C@@H](c1ccc(F)cc1)c1ccco1)c1ccc(Cl)cc1 4310960 JNVARXLKKHHXCB-QRWLVFNGSA-N 357.856 5.945 0 50 FKAA Cc1cc(F)ccc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 7751237 FERJQVNDGPFJIU-UHFFFAOYSA-N 362.763 5.142 0 50 FKAA CC(C)c1cccc(C(C)C)c1P(C1CCCCC1)C1CCCCC1 71769592 BTJYWUVKNAFRBF-UHFFFAOYSA-N 358.550 7.706 0 50 FKAA CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(C)c1C 622433 WTSNOCXPJDTVKK-UHFFFAOYSA-N 359.491 5.091 0 50 FKAA O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)s1 1055087 RVVFUSTZJLWBDW-UHFFFAOYSA-N 358.260 5.430 0 50 FKAA Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccco1 1166504 MQRXHJVILZPMPF-UHFFFAOYSA-N 352.777 5.302 0 50 FKAA Cc1cc(C(F)(F)F)nc(SCc2c(Cl)cccc2Cl)n1 1176028 SMYVPWGRMKHTJX-UHFFFAOYSA-N 353.196 5.403 0 50 FKAA COc1ccc(CSc2nnc(SCc3ccc(C)cc3)s2)cc1 1241141 YFZUBSGYDDQWMH-UHFFFAOYSA-N 374.556 5.440 0 50 FKAA Cc1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c(C)c1 2067606 HQAAFWPBZZSSLL-UHFFFAOYSA-N 359.860 6.311 0 50 FKAA Cc1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1Cl 2534676 DBMNWIQPDWNPGO-SOFGYWHQSA-N 350.643 5.063 0 50 FKAA Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2835705 VXCVCZURLXUNHL-UHFFFAOYSA-N 357.482 5.535 0 50 FKAA COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC 2847988 YJMLKKHLXINXAR-UHFFFAOYSA-N 373.477 6.161 0 50 FKAA COC(=O)c1ccccc1NC(=O)Nc1cc(Cl)c(Cl)cc1Cl 2852312 QCJCVWUOLBZZMM-UHFFFAOYSA-N 373.623 5.077 0 50 FKAA C[C@H]1CCc2nc(NC(=S)Nc3ccccc3C(F)(F)F)sc2C1 2853717 JOTUUARQFLGUTC-VIFPVBQESA-N 371.453 5.096 0 50 FKAA Cc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1 2865120 VXTVOYVMWTVTPP-UHFFFAOYSA-N 351.453 6.171 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 4854071 OEVWYONPPNWYTA-LADGPHEKSA-N 354.453 5.546 0 50 FKAA N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(Cl)cc1Cl 17075512 PPOUNLMTJNQBLP-UHFFFAOYSA-N 367.619 5.125 0 50 FKAA C[C@@](O)(c1cc(Cl)ccc1Cl)[C@@H](c1ccccc1)c1ccccn1 71767136 UEBGQGFRGHQTJI-VQTJNVASSA-N 358.268 5.428 0 50 FKAA COc1cccc(-c2ccc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc2)c1 426500363 XLHZNKAGJJMSEV-HSZRJFAPSA-N 372.468 5.125 0 50 FKAA CCOc1ccc(NC(=O)Oc2cc(C)c(C)cc2Br)cc1 640876 DETWXKGGUSCSAH-UHFFFAOYSA-N 364.239 5.076 0 50 FKAA O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn12)c1ccc(F)cc1 851994 LSUPBCXLZOJQJM-UHFFFAOYSA-N 365.795 5.046 0 50 FKAA CC1(C)Cc2c(ccc3ccccc23)C(c2cc3ccccc3oc2=O)=N1 1459336 HOPYKEDKCXFOLI-UHFFFAOYSA-N 353.421 5.118 0 50 FKAA biogenic Cc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1Cl 2175756 YLTOZTQZBJEWDM-LSDHHAIUSA-N 354.664 5.174 0 50 FKAA CCOc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 2490017 NBPIICBELCXQSQ-UHFFFAOYSA-N 370.326 6.294 0 50 FKAA O=C(NCc1ccccc1Cl)[C@H](Sc1ccccc1)c1ccccc1 2854676 JXJYYLOTLDISCL-HXUWFJFHSA-N 367.901 5.490 0 50 FKAA CC(=O)c1cccc(OCCCCN2CCC(Cc3ccccc3)CC2)c1 4832162 MKJBRQCQCLEPCU-UHFFFAOYSA-N 365.517 5.003 0 50 FKAA COc1ccc(-c2nc(CN3CCC(c4ccccc4)CC3)c(C)o2)cc1 12031753 YCJQWBHWQCRSHP-UHFFFAOYSA-N 362.473 5.038 0 50 FKAA Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 13381999 KXPFYQBZZONEAF-GGAORHGYSA-N 358.416 5.376 0 50 FKAA CC(=O)[C@H](C(=O)c1ccccc1)C1c2ccccc2Sc2ccccc21 19898188 SDDIFZVZFPDTNI-NRFANRHFSA-N 358.462 5.371 0 50 FKAA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@H](C1CCCCC1)C2=O 253596637 UJSMXKNMJUHGOA-LSHGYBQWSA-N 370.577 5.686 0 50 FKAA Cc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)c1 825157434 JXRZAURXBNBZSZ-UHFFFAOYSA-N 365.864 5.049 0 50 FKAA Clc1ccc2nc(N[C@@H]3CCCN(Cc4cccs4)C3)ccc2c1 1529189723 VOPYKXBWGLDKHS-MRXNPFEDSA-N 357.910 5.026 0 50 FKAA COc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 828043 UHKJHVGRIOGHOT-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA CCOc1ccc(OCC(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 957109 RAHWXXBAVIEUAR-UHFFFAOYSA-N 362.425 5.045 0 50 FKAA Cc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2)cc1 1071984 JYMNKQGRBJXPFR-UHFFFAOYSA-N 357.457 5.036 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)CCCc3ccccc3)ccc21 2061721 VGBLIMKCNPSYOQ-UHFFFAOYSA-N 356.469 5.776 0 50 FKAA CCCCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 2875906 YBQRPCMPXXZBDV-UHFFFAOYSA-N 365.502 5.041 0 50 FKAA O=C1C[C@@H](c2ccccc2Br)c2c(ccc3ccccc23)N1 2942406 SQPOPMSIKLHKSV-HNNXBMFYSA-N 352.231 5.076 0 50 FKAA CCCCCC1CCC(Cc2nnc(S)n2-c2ccc(C)cc2)CC1 4052850 FBILVUIBCWTWEP-UHFFFAOYSA-N 357.567 5.794 0 50 FKAA Fc1ccc(NCCCCCCCCCCNc2ccc(F)cc2)cc1 4794886 HGEGTTWNQXAFQG-UHFFFAOYSA-N 360.492 6.610 0 50 FKAA CCCCCCOc1ccc(Br)cc1-c1nc2ccccc2[nH]1 13229432 HANTUZHFRKNZDK-UHFFFAOYSA-N 373.294 5.952 0 50 FKAA O=C(O)CCCCCCCCCCCCCCCCCCCCCO 14449065 IBPVZXPSTLXWCG-UHFFFAOYSA-N 356.591 6.865 0 50 FKAA biogenic,in-vitro Cc1ccccc1[C@H](C(C)C)N(C)C(=O)N[C@@H](C)c1ccc(F)cc1F 490376479 WDVMTAUSYGQGDV-YWZLYKJASA-N 360.448 5.373 0 50 FKAA c1ccc(N[C@H]2CCCN(CCCOc3ccc4ccccc4c3)C2)cc1 1875318832 WIOMNXYJSGVLDC-QHCPKHFHSA-N 360.501 5.185 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1 1110326 JVBPXZYGMVCFQM-UHFFFAOYSA-N 369.420 5.329 0 50 FKAA S=C(Nc1cc(Cl)ccc1Oc1ccccc1)NC1CCCCC1 1162717 SUEZZXKEAQFZFT-UHFFFAOYSA-N 360.910 5.751 0 50 FKAA COc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 4802780 BFNFQRCYPKPSDV-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC 38843589 VCSQUSNNIFZJAP-AAQCHOMXSA-N 358.566 7.251 0 50 FKAA in-vitro COc1ccc2cc([C@@H](C)C(=O)Oc3cccc4ccccc34)ccc2c1 90548370 HTWGOHKVRDWVEN-MRXNPFEDSA-N 356.421 5.711 0 50 FKAA in-vitro Cc1ccc(-n2nc(C(=O)OCC[C@@H]3CCCc4ccccc43)cc2C)cc1 1875336337 XDKGGRQMKSFKJH-FQEVSTJZSA-N 374.484 5.156 0 50 FKAA Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 823301 UANXMBFCDZTDIB-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA Cn1c(Cc2ccccc2)nnc1SCc1c(Cl)cccc1Cl 1122938 FNYCLILVGORDJJ-UHFFFAOYSA-N 364.301 5.005 0 50 FKAA CC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)cc2)c2c(C)cc(C)cc21 1188871 RADVUHSTGCYSPL-UHFFFAOYSA-N 354.881 6.191 0 50 FKAA CCCCc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccccc1)C2 3624991 JYPBCAWZNQNBBN-QGZVFWFLSA-N 362.448 5.267 0 50 FKAA CCc1cccc(C)c1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4542129 FOLJBVIZNUKXBQ-UHFFFAOYSA-N 372.679 5.535 0 50 FKAA Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 4691047 GTNVJCLEMNXZEA-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA Cc1ccccc1NC(=O)C[C@]1(Cc2ccccc2)CCOC(C)(C)C1 4833654 LEUCOZHSMLRLQC-HSZRJFAPSA-N 351.490 5.142 0 50 FKAA CC[C@H](C)c1ccc([C@@H](CC)NC(=O)Nc2ccc3c(c2)CCC3)cc1 20573151 LLOFWSBQVUMASU-KSFYIVLOSA-N 350.506 5.962 0 50 FKAA COCc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 71385394 IVVNJXGUIFSDPA-UHFFFAOYSA-N 362.454 5.668 0 50 FKAA CC(=O)OCCO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 254742586 JTBQFWLJEIHPGJ-JFMDDGTCSA-N 362.554 5.368 0 50 FKAA Cc1cnc(NC(=O)C[C@H](c2cccc3ccccc23)n2cccc2)s1 263588497 UWAIENJEEIOCFO-LJQANCHMSA-N 361.470 5.024 0 50 FKAA CC[C@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 916995402 JUCPEGGAFHIALM-DLBZAZTESA-N 357.803 5.133 0 50 FKAA Clc1cncc(Cl)c1CNCC[C@@H](c1ccccc1)c1ccco1 952988922 AQOQUAQESGDADZ-HNNXBMFYSA-N 361.272 5.293 0 50 FKAA Cc1c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)oc2ccccc12 722672 JOQFDYAYKPXWKN-UHFFFAOYSA-N 368.392 5.802 0 50 FKAA CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)cc1 753790 YHYIXRWFLNNBGZ-ZWKOTPCHSA-N 362.517 5.217 0 50 FKAA biogenic CCC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccco1 1137369 RWTVLMQWYJEIDE-FQEVSTJZSA-N 351.446 5.142 0 50 FKAA biogenic CCC(=O)N(c1ccc2ccccc2c1)c1nc(-c2ccccc2)c(C)s1 2838794 ZJLYECARSPPRJV-UHFFFAOYSA-N 372.493 6.346 0 50 FKAA CCCC[C@@H](CC)COC(=O)CCCCC(=O)OC[C@H](CC)CCCC 3875704 SAOKZLXYCUGLFA-WOJBJXKFSA-N 370.574 6.066 0 50 FKAA endogenous,in-man c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)c(-c3ccccc3)nn2)cc1 4539313 FYOOHFGVYAZIHE-UHFFFAOYSA-N 366.420 5.249 0 50 FKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 4832650 WDXUQZGBHBUXKQ-LLVKDONJSA-N 373.827 5.787 0 50 FKAA C[C@@H](NCC[C@@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1 4865675 WMXGLVQQFHUUQE-XLIONFOSSA-N 353.893 6.000 0 50 FKAA S=C(Nc1ccccc1)N(C1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 22014290 QITMOQSHQJHWSX-LEWJYISDSA-N 350.531 5.574 0 50 FKAA C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)CCC3(SCCS3)[C@H]12 254382290 XNXDXWRARMMNIA-BGSOWLKRSA-N 350.637 6.596 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@H]1C1(CC2)SCCS1 257350452 XNXDXWRARMMNIA-DNDRQTMDSA-N 350.637 6.596 0 50 FKAA CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)C1=NCCC1 888086758 DDVUZAJETGKFIE-JOCHJYFZSA-N 364.533 5.217 0 50 FKAA C[C@H](Oc1ccccc1Cc1ccccc1)c1nc(-c2cccc(O)c2)no1 1875343839 WENVPIVSUXTWPD-INIZCTEOSA-N 372.424 5.173 0 50 FKAA CCC[C@H](N[C@H](CO)c1ccccc1)c1ccc(Oc2ccccc2)cc1 2325822402 VLBVQVAIOOHALV-BJKOFHAPSA-N 361.485 5.643 0 50 FKAA CC[C@H](C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1)c1ccccc1 1074876 WUDXKGOJNGWWNA-FQEVSTJZSA-N 370.452 5.936 0 50 FKAA COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1217689 WPYGTHPPAUWKRQ-UHFFFAOYSA-N 365.043 5.561 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc12 2526078 SXRHPHIODITXKP-UHFFFAOYSA-N 366.631 5.869 0 50 FKAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 3382459 KDBLAGXZALNGIX-SECBINFHSA-N 374.651 5.061 0 50 FKAA CC(C)[C@@H]1C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1 4181374 MSNDYHDGMIZQPJ-XZOQPEGZSA-N 355.497 5.078 0 50 FKAA COc1ccc(-c2ccc(C(=O)Nc3ccccc3Cl)o2)cc1Cl 4543227 VCGMOONMPRUHOG-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4819827 XYXJKCCYXGAATF-NXTQRVMMSA-N 363.501 5.590 0 50 FKAA CC[C@H](C)c1ccc(NC(=O)Nc2ccc(CN3CCCC3)cc2)cc1 13325264 CNXNGQOYFKSHGI-KRWDZBQOSA-N 351.494 5.440 0 50 FKAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3cc(C)cc(C)c3)c2C)cc1 13331526 ZPHIEXNKIIFQOM-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA C[C@H](NC(=O)Nc1cccc(Br)c1)c1ccc(Cl)s1 13745058 IZHWZMOWXMBLJT-QMMMGPOBSA-N 359.676 5.047 0 50 FKAA FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3cscn3)C2)c1 72132154 FJTIBVCUDOGFBQ-HNNXBMFYSA-N 354.441 5.007 0 50 FKAA O=C(NCc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccccc2)on1 2050025079 RSMLEHZKWYNXQE-UHFFFAOYSA-N 370.408 5.064 0 50 FKAA CCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(Cl)cc1)CC3=O 2084329463 JTVLSOKASGBLHY-INIZCTEOSA-N 368.816 5.024 0 50 FKAA COc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1 828374 CAISBOLWNVMBDP-VGSWGCGISA-N 372.468 5.287 0 50 FKAA Cc1cccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)n1 998820 DYPMHMNTBBNIIX-UHFFFAOYSA-N 374.484 5.519 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 1205834 QBBUTXKCSXQGBK-UHFFFAOYSA-N 370.235 5.477 0 50 FKAA CCc1ccc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1773482 UTHVACRUCMNQPB-UHFFFAOYSA-N 351.368 5.066 0 50 FKAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2occ(-c3ccccc3)c12 1800831 MPXSAEAEQLULQY-UHFFFAOYSA-N 352.389 6.182 0 50 FKAA biogenic Cc1sc(NC(=O)Nc2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 3898723 ONWCJJQEHMFVMM-UHFFFAOYSA-N 367.518 5.563 0 50 FKAA COc1ccccc1[C@H]1CN(c2ccc(F)cc2F)N=C1c1cccs1 4021560 CSXDJDQEQGACBI-OAHLLOKOSA-N 370.424 5.043 0 50 FKAA aggregator c1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 4117136 KYRXLTFQPJPZDS-RUZDIDTESA-N 363.460 6.119 0 50 FKAA O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 4750839 GKBLNZXUJDFGJQ-XCVCLJGOSA-N 358.825 5.255 0 50 FKAA Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)NCc3ccco3)c2c1 17074599 MGESJPVAKIZIET-UHFFFAOYSA-N 362.454 5.103 0 50 FKAA Clc1ccc(CCN(Cc2ccco2)Cc2ccco2)c(Cl)c1 22215535 CLHYKSGIOQFKNW-UHFFFAOYSA-N 350.245 5.424 0 50 FKAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1 95372153 LLDBAUVSRISIKS-GOSISDBHSA-N 362.477 5.029 0 50 FKAA CCOC(=O)C[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257350035 UEYAIUYANUAWRC-ZNQZYEKSSA-N 374.609 6.625 0 50 FKAA Clc1cccc(Cl)c1CN1CCN2CCC[C@H]2[C@H]1C1CCCCC1 584904421 SRUKOPZYMRZGLU-VQTJNVASSA-N 367.364 5.222 0 50 FKAA O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(Cl)cc3)cc2o1 641715 GPSQCEZKVPLMMY-UHFFFAOYSA-N 354.711 5.044 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1C 1146765 SQNMUQBBJJLNLV-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA COc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 1155010 BMNWHBHOSZNVSA-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)c2cccnc12 1590480 AJQUXBOOWNSFII-UHFFFAOYSA-N 366.726 5.518 0 50 FKAA Cc1c(OCc2ccc(C(C)(C)C)cc2)ccc2c3c(c(=O)oc12)CCC3 1797571 ZNMOXOHLBPTIRQ-UHFFFAOYSA-N 362.469 5.467 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 2954774 FMJSAVYGOUMVMK-UHFFFAOYSA-N 372.468 5.489 0 50 FKAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(N)c1-c1ccc(Cl)cc1 3133782 MREBYIGVLDFCSJ-UHFFFAOYSA-N 351.759 5.102 0 50 FKAA O[C@]12CCCC[C@@H]1[C@@H](c1cccc(Oc3ccc(Cl)cc3)c1)NCC2 4031335 VTIHRPRDWGOLPD-NJYVYQBISA-N 357.881 5.088 0 50 FKAA Cc1ccc(Cn2ccc(NC(=S)Nc3cccc(Cl)c3C)n2)cc1 13330804 PIUDXHKPRRRGAT-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)c1 18205874 AFJHATDFMRTLJK-IFZYUDKTSA-N 363.457 5.021 0 50 FKAA Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)F)c12 20602761 IDSWVACTFSSWFX-UHFFFAOYSA-N 373.790 5.639 0 50 FKAA CC[C@@H](C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 22016852 CIOHIPIIOUWOMO-LJQANCHMSA-N 374.553 5.241 0 50 FKAA biogenic CCC[C@H](O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1 77438676 LFJARROBNKXPOF-NRFANRHFSA-N 372.472 5.071 0 50 FKAA O=C(Nc1ccccc1F)c1ccc(COc2ccccc2Cl)cc1 659173 VXWVIZVMJXEQMT-UHFFFAOYSA-N 355.796 5.310 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1C 1122965 BCPJUNAXSHCFNF-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA COc1ccc(Cl)cc1Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 1123503 XHUPEOUOWWJKSI-UHFFFAOYSA-N 373.865 5.174 0 50 FKAA S=C(Nc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 1154668 YDYGMHBUVGAHLL-UHFFFAOYSA-N 354.862 5.941 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 2134929 YFIAVHMQMIFQBI-UHFFFAOYSA-N 366.686 5.652 0 50 FKAA O=C(c1ccccc1)c1ccc(OCCCCn2cnc3ccccc32)cc1 2868380 JQIRKKBYHXHPQJ-UHFFFAOYSA-N 370.452 5.127 0 50 FKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c1 3002490 JVTLISQTWSIWKZ-UHFFFAOYSA-N 358.466 5.832 0 50 FKAA CCc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 3612848 ZQDXLSBKBSVUAF-UHFFFAOYSA-N 358.441 5.062 0 50 FKAA CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C2CCC2)cc1 12075779 GGEWKKQNAACZEJ-HSZRJFAPSA-N 358.485 5.005 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccncc1)O2 100707853 AZJUQTDOIDJAGX-LPHOPBHVSA-N 367.861 5.039 0 50 FKAA CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl 827617257 BBVMEIGQRNYELS-UHFFFAOYSA-N 369.852 5.058 0 50 FKAA COCc1ccccc1/C=C(\C)CN[C@H](CC(C)C)c1ccccc1C 2325841114 DDSZEJHBENNFLA-SIAYCOCNSA-N 351.534 5.922 0 50 FKAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)c(Cl)cc1Cl 672536 QZBZJNQZCFAWAU-DUXPYHPUSA-N 370.619 5.027 0 50 FKAA Brc1ccc2nc(N3CCCCC3)nc(-c3ccccc3)c2c1 677967 OVSKOWAXEOBPOU-UHFFFAOYSA-N 368.278 5.050 0 50 FKAA Cc1ccc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 1145026 ZXCLKTQMBBKHLO-UHFFFAOYSA-N 354.500 5.158 0 50 FKAA CC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 1217794 QSLQORWXSLQSBI-NRFANRHFSA-N 361.466 5.361 0 50 FKAA CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O 1650377 WUILNKCFCLNXOK-CFBAGHHKSA-N 358.547 6.896 0 50 FKAA investigational O=C(NCCSCc1c(F)cccc1Cl)Nc1cccc(Cl)c1 2879859 YYMMZBWKAFJGHA-UHFFFAOYSA-N 373.280 5.187 0 50 FKAA Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 2884264 UREWCNWKOZSJSU-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA CCOc1cccc(OCCCCOc2cccc(Br)c2)c1 2985509 PASFDQDWCOXBPV-UHFFFAOYSA-N 365.267 5.086 0 50 FKAA Cc1ccc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)cc1 4811287 WJRAWBOCVQRUDR-IEBWSBKVSA-N 365.523 5.089 0 50 FKAA COc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)o1 4838939 QLAOPOXYDOOFSZ-UHFFFAOYSA-N 353.443 5.141 0 50 FKAA Cc1ccc(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)c(C)c1 6964921 IPPQOOXROFRNAZ-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12193168 UBVXHUKPVXAOFV-FYYLOGMGSA-N 374.871 5.891 0 50 FKAA Cc1ccc(C)c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 20616116 RQQDKUZIDMQJLT-UHFFFAOYSA-N 361.470 5.265 0 50 FKAA Cc1ccc(CN(C)C(=O)c2ccc(CSc3ccccn3)cc2)s1 244748567 OJTJUGCKKBWPHH-UHFFFAOYSA-N 368.527 5.016 0 50 FKAA CC1(C)CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)c2ccccc21 2325817682 LGADJLAJCYCXGW-UHFFFAOYSA-N 365.370 5.563 0 50 FKAA O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccc2ccccc12 701857 JBSNIHXUKWSLNI-DEOSSOPVSA-N 366.416 5.621 0 50 FKAA Cc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)cs1 1051232 SVRSCLUZDZXKTK-UHFFFAOYSA-N 364.495 5.575 0 50 FKAA Cc1ccc(-c2coc3cc4oc(=O)cc(-c5ccccc5)c4cc23)cc1 2087597 VUALBTRBPBCKOJ-UHFFFAOYSA-N 352.389 6.182 0 50 FKAA biogenic O=C(COc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2273025 AGMXZVOWPBLRMV-UHFFFAOYSA-N 370.408 5.026 0 50 FKAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Nc2ccccc2)cc1 4703751 NSLWXHUVIGSKGS-UHFFFAOYSA-N 360.501 5.975 0 50 FKAA Cc1cccc(OP(=O)(Nc2cc(C)ccn2)Oc2cccc(C)c2)c1 6886630 ACXASDYKHLUNDP-UHFFFAOYSA-N 368.373 5.685 0 50 FKAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc1 15062751 GXGVFZONWFNRPN-INIZCTEOSA-N 374.575 5.083 0 50 FKAA Cc1cc(N[C@H](Cc2ccccc2)c2ccccc2)nc2cc(Cl)ccc12 23634740 VLDQRUXJALWTIN-JOCHJYFZSA-N 372.899 6.593 0 50 FKAA CCOc1ccc(Nc2ccnc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 243054085 IGQGVTDENQTSNK-UHFFFAOYSA-N 361.445 5.093 0 50 FKAA CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC1(CCCCC1)O3 888088333 MEUPKUJILGGMEZ-UHFFFAOYSA-N 354.446 5.112 0 50 FKAA Clc1ccc(OC[C@H]2CO[C@H](c3ccc(-c4ccccc4)cc3)O2)cc1 641474 VTTSPGTWSUGSNI-VXKWHMMOSA-N 366.844 5.500 0 50 FKAA COc1ccccc1C(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 989587 NYJGYHMPHQIHNN-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA O=C(Nc1ccccc1Cl)c1cc2cc(Cl)cc(Cl)c2oc1=O 1077380 MAXUZYVQAZIOMC-UHFFFAOYSA-N 368.603 5.006 0 50 FKAA c1ccc2cc(OCCCCCCOc3ccc4ccccc4c3)ccc2c1 2885675 WHWRADBGPMQUGE-UHFFFAOYSA-N 370.492 7.011 0 50 FKAA CCCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1 2930696 XYPWBQYHGKAVMU-UHFFFAOYSA-N 362.267 5.107 0 50 FKAA Cc1cccc(OCCn2c(=S)[nH]c3cc(C(F)(F)F)ccc32)c1 2999963 JQOVHORNFNUPOS-UHFFFAOYSA-N 352.381 5.105 0 50 FKAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(Cl)c1 5378207 BPVOLPCRRFFVBL-UHFFFAOYSA-N 365.191 5.348 0 50 FKAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3cc(C(C)C)on3)oc2c1 91997681 XNBPIRXIMFNZHT-QGZVFWFLSA-N 352.434 5.138 0 50 FKAA CC(C)(C)OC(=O)CCCCCCCCCCCCCCCC(=O)O 114085522 KCUYTEIVSXQFKX-UHFFFAOYSA-N 356.547 6.264 0 50 FKAA CC[C@H]1SC2(CCCCC2)N(c2ccc(Oc3ccccc3)cc2)C1=O 1875281502 DWVBRZKGBAAARF-HXUWFJFHSA-N 367.514 5.998 0 50 FKAA CC[C@H](C)n1nc(-c2cc3ccccc3cn2)nc1-c1ccccc1OC 1875348943 HVLQZDWCLBTEJP-HNNXBMFYSA-N 358.445 5.140 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 718767 LOSSMKNXZLPRHN-UHFFFAOYSA-N 371.358 5.537 0 50 FKAA CC(=O)c1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 948691 HBVUTOPXOSSBBV-UHFFFAOYSA-N 363.269 6.063 0 50 FKAA COc1ccc(Cl)cc1NC(=O)Cc1coc2ccc3ccccc3c12 1020391 YNCBNVCKGKOHKS-UHFFFAOYSA-N 365.816 5.429 0 50 FKAA COc1cc(C)c(NC(=O)c2ccccc2-c2ccccc2)cc1C(C)C 1141109 VBUGCIJTAPOWFU-UHFFFAOYSA-N 359.469 6.046 0 50 FKAA Cc1ccc(Cl)c(O[P@@](C)(=O)Nc2ccc(Cl)c(Cl)c2)c1 1234467 GGXOVWGMWGEJTO-OAQYLSRUSA-N 364.596 6.269 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1Cl 2858781 SEABVGUZYBEPRG-UHFFFAOYSA-N 360.885 5.146 0 50 FKAA C/C=C/c1ccc(OCCCn2cnc3cc(C)c(C)cc32)c(OC)c1 2880163 JRUWMUKSJLWPBQ-FNORWQNLSA-N 350.462 5.164 0 50 FKAA Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 2998709 KWQCXTHGHUADOO-UHFFFAOYSA-N 371.415 5.239 0 50 FKAA CCCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 3002518 NXQIUGVKSJXZCF-UHFFFAOYSA-N 366.244 5.203 0 50 FKAA CC(C)c1ccc(-n2c(S)nnc2Cc2c(F)cccc2Cl)cc1 6387304 WQQGTUVSOBJTRI-UHFFFAOYSA-N 361.873 5.063 0 50 FKAA O=C(Nc1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12 95705085 DJKVOBZLMBHFKX-UHFFFAOYSA-N 374.459 6.187 0 50 FKAA in-vitro Cc1cc(C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)c1 631073 ZNMCNLLDEZARFB-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA Cc1ccc(NC(=O)Oc2c(C)cc(Cl)cc2Br)c(C)c1 640837 MLZHARUNTUTNDR-UHFFFAOYSA-N 368.658 5.639 0 50 FKAA Cc1ccc(-c2nc(NC(=O)Nc3ccc(Cl)cc3)sc2C)cc1 719433 DGUMILDBLPRMSL-UHFFFAOYSA-N 357.866 5.724 0 50 FKAA O=C(NCc1ccco1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 2867472 UYMAYJLUDUOXRN-UHFFFAOYSA-N 362.816 5.078 0 50 FKAA Cc1cccc(Oc2ccc3c(c2)Oc2ccc(Cl)cc2NC3=O)c1 4745732 HLVLXRYTAQZDFC-UHFFFAOYSA-N 351.789 5.799 0 50 FKAA CC(C)(C)N1C(=O)c2ccccc2C12c1ccccc1CCc1ccccc12 4759902 MPQDCGSFFSRIQD-UHFFFAOYSA-N 367.492 5.331 0 50 FKAA O=C(Oc1c(Cl)ccc2ccccc12)N(c1ccccc1)c1ccccc1 4873184 MUFMBKLSMZEAQK-UHFFFAOYSA-N 373.839 6.830 0 50 FKAA C[C@@H](CN1CCC[C@@H](c2[nH]ncc2-c2ccccc2F)C1)c1ccccc1 12151310 AEPSUSITXGCDER-PKOBYXMFSA-N 363.480 5.199 0 50 FKAA O=C(Nc1cc(F)c(F)c(F)c1)c1cc(-c2ccc3ccccc3c2)on1 1857799581 MHWYXMIBMVTBSS-UHFFFAOYSA-N 368.314 5.164 0 50 FKAA CC1(C)CCc2cc(NCc3ccccc3Oc3cccc(F)c3)ccc21 1875341392 QZVPBCFNHWZSES-UHFFFAOYSA-N 361.460 6.454 0 50 FKAA CCN(CC)c1ccc(NC(=O)COc2cccc3ccccc23)c(C)c1 682957 WLPLBEHMAOLFOA-UHFFFAOYSA-N 362.473 5.012 0 50 FKAA O=C(COC(=O)c1ccccc1Cl)c1ccc(C2CCCCC2)cc1 992031 LAGWEEIMSWALCD-UHFFFAOYSA-N 356.849 5.427 0 50 FKAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1141248 MLGGUMNPZQUCEE-QFIPXVFZSA-N 361.441 5.062 0 50 FKAA CCOc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 1149306 JAAIRBLMJYIBMA-UHFFFAOYSA-N 362.454 5.920 0 50 FKAA CCCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 1801414 MFUXXJKRUZNCNA-UHFFFAOYSA-N 366.244 5.203 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 2054939 HIDYOZWOIVHDDK-UHFFFAOYSA-N 358.652 5.445 0 50 FKAA Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 2741047 UKQNBBDMYBOKKA-UHFFFAOYSA-N 357.788 5.246 0 50 FKAA CCOc1ccccc1NC(=O)NCCC(c1ccccc1)c1ccccc1 2856946 HMARDBOOGWRQFE-UHFFFAOYSA-N 374.484 5.429 0 50 FKAA CC[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1 2879994 OTKGLOIBTOSNIW-LJQANCHMSA-N 372.493 6.096 0 50 FKAA COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)CC(C)C 2884763 GSIRLNWGAKZVGB-UHFFFAOYSA-N 366.461 5.611 0 50 FKAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3ccc(C)c(C)c3)c2C)cc1 13331385 RNBHYZCWPISKHE-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA O=C(O)c1ccccc1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 19625425 NRRWFNBGKYTBSE-IBGZPJMESA-N 354.858 5.920 0 50 FKAA Cc1ccc2[nH]c(C(=O)N(C)Cc3cccc(C(F)(F)F)c3)c(C)c2c1 91793490 PWGHQEXKHVGCDP-UHFFFAOYSA-N 360.379 5.076 0 50 FKAA CC(C)=CC[C@@](C)(COC(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1 216336664 JQCGXFFKAJBLMW-WDJPJFJCSA-N 368.517 5.239 0 50 FKAA CC(C)[C@@H](NC(=O)c1cccc2ccccc12)c1nc(-c2ccccc2)no1 334163369 ZJQHEZGMTZTAGU-HXUWFJFHSA-N 371.440 5.017 0 50 FKAA Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)c1C 689566 AIRXSPPQOYAOJD-UHFFFAOYSA-N 365.502 5.017 0 50 FKAA O=C(Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCCCC1 1065353 XPXZMQOJYORHCA-UHFFFAOYSA-N 363.288 5.165 0 50 FKAA O=C(Nc1ccccn1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 1073813 PCKQHEDPQDBDDQ-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2cccc(Cl)c2)c2ccccc2)cc1 1145588 MJFQUJUDKUUBIF-KGENOOAVSA-N 363.844 5.528 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)[C@@]1(c2ccccc2)CC1(Cl)Cl 2067125 PTEJXOSDLFWBEK-HNNXBMFYSA-N 374.189 5.160 0 50 FKAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc21 2732468 NKKGFSIGPUWRTD-UHFFFAOYSA-N 371.309 5.047 0 50 FKAA C[C@@H]1CCc2nc(NC(=S)Nc3ccccc3C(F)(F)F)sc2C1 2853718 JOTUUARQFLGUTC-SECBINFHSA-N 371.453 5.096 0 50 FKAA O=C(CCCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 2862935 WRBNJWFIYAWHGT-UHFFFAOYSA-N 372.493 5.925 0 50 FKAA Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl 2985665 LWITWEWVBJDREY-UHFFFAOYSA-N 367.901 6.193 0 50 FKAA Clc1ccc(Cl)c(-c2cc(NC3CCCCC3)c3ccccc3n2)c1 5739670 DXGARMUAJUKRGT-UHFFFAOYSA-N 371.311 6.953 0 50 FKAA Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@@H]1c1cccnc1 11820988 HYVOSKQELFOCRS-HXUWFJFHSA-N 367.880 5.426 0 50 FKAA C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccncc1 12383953 HZEUNDWJBQOJPI-SECBINFHSA-N 351.258 5.094 0 50 FKAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3ccc(C)cc3C)c2C)cc1 13331386 JGQBRTDRIGKUSX-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA CCO[C@H](c1noc(C(F)=C2CCC2)n1)c1ccc(F)cc1C(F)(F)F 424367046 ZNIYKSUGCOJPFW-AWEZNQCLSA-N 374.309 5.218 0 50 FKAA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccc(F)cc2)o1 1004370 RQMGIIWMNQTSTA-UHFFFAOYSA-N 364.420 5.328 0 50 FKAA O=C(OCc1c(F)cccc1Cl)c1ccc2c(c1)-c1ccccc1C2=O 1116047 VUBMASULPQIBJO-UHFFFAOYSA-N 366.775 5.048 0 50 FKAA Cc1ccc(C)c(OCCCC(=O)Nc2ccccc2C(F)(F)F)c1 1779320 AIONJJBZKFCFKC-UHFFFAOYSA-N 351.368 5.120 0 50 FKAA ClC(Cl)(Cl)[C@H](c1ccccc1)c1ccc(Br)cc1 2162098 NBTGDHBAHMODDU-CYBMUJFWSA-N 364.497 5.951 0 50 FKAA O[C@H](COc1ccccc1Cl)CN(C1CCCCC1)C1CCCCC1 4819602 RLVOKSOQHDTMCC-IBGZPJMESA-N 365.945 5.047 0 50 FKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccc(OC)c3)=NN12 6046048 WFSDURGUCBJQKY-ICSRJNTNSA-N 356.853 5.018 0 50 FKAA Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 20604947 XMLZDZINFTXDCJ-UHFFFAOYSA-N 371.337 5.554 0 50 FKAA O=Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 77032020 YXWHPUQQTIIFGZ-UHFFFAOYSA-N 364.444 5.870 0 50 FKAA CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1 96282634 VCMMYRWIEZCYDK-PDBXOOCHSA-N 367.577 6.892 0 50 FKAA biogenic,in-vitro C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C 103009251 GRQROJVOZIQILL-YRGRVCCFSA-N 372.292 5.080 0 50 FKAA Fc1ccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)cc1 226098299 TWPJJJZCYVFUOA-UHFFFAOYSA-N 351.331 5.223 0 50 FKAA in-vitro CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)n[nH]1 488473649 XBSJHZVKNLBUNK-GUBZILKMSA-N 359.276 5.176 0 50 FKAA Cc1cc(SCc2ccccc2C(F)(F)F)nc(-c2ccccn2)n1 1875288301 WFXQCHYYCGBHLV-UHFFFAOYSA-N 361.392 5.158 0 50 FKAA Fc1cccc(-c2ccc(Nc3cc(Cl)cc(Cl)c3)nc2)c1F 2356139023 JZZUFKFTJIEQNS-UHFFFAOYSA-N 351.183 6.077 0 50 FKAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 726927 GMAFSKUKRBCUPM-UFBFGSQYSA-N 353.076 5.523 0 50 FKAA Cc1nn(C(C)(C)C)c(OC(=O)c2cccs2)c1Sc1ccccc1 1109149 RVZKUFCFLFHTLT-UHFFFAOYSA-N 372.515 5.378 0 50 FKAA O=C(NCc1ccco1)c1ccc(CSc2ccc(Cl)cc2)cc1 1109953 WPQXHMUXBABKKO-UHFFFAOYSA-N 357.862 5.155 0 50 FKAA Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl 2516089 MVWHGTYKUMDIHL-UHFFFAOYSA-N 360.882 7.274 0 50 FKAA biogenic,in-vitro O=C(NCCSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 2885057 NVDNKAMYRYVNEO-UHFFFAOYSA-N 355.290 5.048 0 50 FKAA CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C(C)=O)=C(C)C[C@@H]32)C1 5231985 NELMHAIFXJZDST-NPXOTHDXSA-N 370.533 5.396 0 50 FKAA C[C@H](c1ccccc1C(=O)O)c1ccc(Br)c2ccccc12 6443409 GFWOBSUDGNGWGC-GFCCVEGCSA-N 355.231 5.452 0 50 FKAA c1ccc(-c2csc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)n2)cc1 85999941 TVXDBHBOTNOKBV-UHFFFAOYSA-N 353.450 6.020 0 50 FKAA Cn1cc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 1857525349 JHTFPRFKUMCPIU-JKBAFLTISA-N 368.565 5.207 0 50 FKAA O=C(COc1ccccc1Cl)Nc1cc(Cl)c(Cl)cc1Cl 675246 SROXOSSJOMSGLE-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2ccccc2c1 1006297 RLRJQTUGQCQFFV-UHFFFAOYSA-N 351.449 6.001 0 50 FKAA Cc1c(Br)cc(C(=O)Nc2cccc(Cl)c2)c(C)c1C 1170404 HXSDZRHVWDUSMD-UHFFFAOYSA-N 352.659 5.280 0 50 FKAA O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CNc1ccccc1Cl 2904651 VUJITSXVRLSTPA-YIERNNEGSA-N 370.861 5.002 0 50 FKAA CCOc1ccc(C2=NN(c3ccccc3F)[C@@H](c3cccs3)C2)cc1 4010621 JYRXOCJKYRHFOB-HXUWFJFHSA-N 366.461 5.642 0 50 FKAA CC[C@]1(C)C[C@](CCNCc2ccc(F)cc2)(c2ccc(C)cc2)CCO1 4093984 RIFBHJUQIDTORA-DNQXCXABSA-N 369.524 5.531 0 50 FKAA CCc1ccccc1NC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCC2 4211542 HHGXFQNDBBWSGS-UHFFFAOYSA-N 370.518 5.036 0 50 FKAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@H]1c1ccccc1Cl 21525432 FWUCFYKXFWKAGN-HNNXBMFYSA-N 358.850 5.034 0 50 FKAA Cc1ccc(OC(=S)O[C@H]2CC[C@]3(C)CC(C)(C)[C@@H]4CCC(=O)[C@@]243)cc1 71786163 QXYZYMINPOJJFH-FBRLZHCOSA-N 372.530 5.239 0 50 FKAA COc1ccccc1CNc1ccc2c(c1)nc(C)n2Cc1ccccc1 845781 HWLTYJJBRFWXLN-UHFFFAOYSA-N 357.457 5.014 0 50 FKAA Cc1c(Cl)cccc1NC(=O)COc1ccc(-c2ccccc2)cc1 942810 DBTLQOPRNGUJPC-UHFFFAOYSA-N 351.833 5.333 0 50 FKAA Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4ccccc4)c3)nc2c1 1212699 OSRRETPXIJTJBB-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA Cc1cc(C)cc(NC(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)c1 1230703 XKCQZQXDGPXBKQ-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cccc12 2526077 ODHWHMYOZJYLFZ-UHFFFAOYSA-N 352.604 5.560 0 50 FKAA O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1C(F)(F)F 2546573 HAFIIMQZAJXNSD-ACCUITESSA-N 357.331 5.617 0 50 FKAA CC[C@@H](C(=O)Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1 4809755 AGGSUFYJSLEHGU-HXUWFJFHSA-N 355.441 5.134 0 50 FKAA Cc1nn2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc2c1Cl 6527038 GUBNGVVXKSZBIR-UHFFFAOYSA-N 369.818 5.178 0 50 FKAA COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCCC[C@@H]23)cc(Cl)c1OC 16650170 SAMQLRWUOSLIIC-PNHOKKKMSA-N 373.880 5.300 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1cccs1)O2 19799926 IDEPVBNFQUXYFC-KDOFPFPSSA-N 356.834 5.237 0 50 FKAA c1ccc(-c2ncn(Cc3ccco3)c2-c2ccc([C@@H]3CCCCO3)o2)cc1 65386111 XJMISOHTXSQPEK-IBGZPJMESA-N 374.440 5.693 0 50 FKAA Cc1cc2cc(C(=O)N(Cc3cccnc3)Cc3ccsc3)ccc2o1 91769869 PNRPOUBCXSGHIH-UHFFFAOYSA-N 362.454 5.040 0 50 FKAA C/C(O)=C\[C@@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 102278087 BXNFWCOAJXGXQP-FXXFZUEPSA-N 360.866 5.123 0 50 FKAA c1ccc(-c2nc3c(s2)[C@@H](NCCc2ccc4[nH]ccc4c2)CCC3)cc1 1875340958 AMAGHFYQVDXJFQ-FQEVSTJZSA-N 373.525 5.501 0 50 FKAA C[C@H]1CCCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C1 672015 XYNIAIRVIXSOEM-SFHVURJKSA-N 365.517 5.435 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Oc2ccccc2)c1 707133 LVOAVWXGMOETIW-UHFFFAOYSA-N 370.408 5.695 0 50 FKAA Cc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccccc5)cc4c3c2C)cc1 1106325 HFISRUKXOYCGAN-UHFFFAOYSA-N 365.480 6.179 0 50 FKAA O=C(Nc1ccccc1)c1ccccc1OCc1c(F)cccc1Cl 1116020 GFHMQZURQXLGJY-UHFFFAOYSA-N 355.796 5.310 0 50 FKAA CC[C@H](c1cccc(Br)c1)[C@H](C(C)=O)c1ccc(OC)cc1 1717620 NQVHJSWFJDJKRQ-RTBURBONSA-N 361.279 5.324 0 50 FKAA COc1ccc(C2=NN(c3ccccc3F)[C@H](c3ccc(F)cc3)C2)cc1 5073950 MTIDYGMOONZOIQ-QFIPXVFZSA-N 364.395 5.329 0 50 FKAA CC(C)CCC[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320409 WEQVZHSISLIJIK-NSHDSACASA-N 350.812 5.695 0 50 FKAA O=C(c1ccccn1)c1coc2ccc(OC/C=C/c3ccccc3)cc12 170622154 YYNIJRLLSDMABG-RMKNXTFCSA-N 355.393 5.151 0 50 FKAA Cc1cccc2c(CCC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)c[nH]c12 225716823 SXHDMNHSNYOJMV-FGZHOGPDSA-N 370.496 5.256 0 50 FKAA CCC[C@H]1CC[C@H](c2ccc(C(=O)Nc3ccc(OC)cc3)cc2)CC1 245254826 CICHQGNOTYCKFB-IYARVYRRSA-N 351.490 6.021 0 50 FKAA CC(C)c1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 685751 DIEHDJYXMWBZGD-UHFFFAOYSA-N 364.297 6.584 0 50 FKAA CC(C)[C@H]1O[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OCC1(C)C 1080145 XAJYPHLAKZMLDJ-CTNGQTDRSA-N 371.452 5.174 0 50 FKAA O=P(Nc1ccc(Cl)cc1)(Oc1ccccc1)Oc1ccccc1 1851729 CCZFCNRDOIPTRE-UHFFFAOYSA-N 359.749 6.018 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 3756582 IJVHUIHUVZRELG-UHFFFAOYSA-N 351.711 5.272 0 50 FKAA CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 4081320 NTISSUBFZAIVDS-UPMLCCBHSA-N 370.577 5.686 0 50 FKAA biogenic COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1 4199440 MYYLBXHBPJAGNE-NRFANRHFSA-N 362.860 5.704 0 50 FKAA CCCCc1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1 4542104 JKFJPCHMPOGWBH-UHFFFAOYSA-N 352.261 5.354 0 50 FKAA O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(Cl)c1 4810934 MLQAOAVLSAIFMI-UHFFFAOYSA-N 355.796 5.164 0 50 FKAA Fc1ccccc1N1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 4980398 AFOLXXHAZPSFFZ-UHFFFAOYSA-N 370.855 5.061 0 50 FKAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)Nc1cccc(Cl)c1 12404449 JYYBVBGRGYZDKA-UHFFFAOYSA-N 371.868 5.000 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 25572848 FHXPSLZXKSNXPY-RBBKRZOGSA-N 362.379 5.207 0 50 FKAA Cc1nc2cc(NC(=O)N3CCC[C@@H]3c3ccccc3C)ccc2s1 95503434 SWBSDKILPASZAG-GOSISDBHSA-N 351.475 5.282 0 50 FKAA CCN(C(=O)Nc1ccc(F)cc1COC)[C@H](C)c1cc2ccccc2o1 184784817 DVKBHLLZPHHFFO-CQSZACIVSA-N 370.424 5.333 0 50 FKAA CC1=C(C)[C@]2(C)[C@](C)(OC(=O)c3ccc(Br)cc3)[C@@H](C)[C@]12C 216355085 XCKBIRVNXHZZSU-ZQEOTTOMSA-N 363.295 5.377 0 50 FKAA O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccccc1Br 657405 HMCLTRWLALHOBC-CMDGGOBGSA-N 371.061 5.408 0 50 FKAA O=C(OC1CCCCC1)c1ccc(COc2ccc3ccccc3c2)o1 673039 CZJCZRDHRFDWCY-UHFFFAOYSA-N 350.414 5.501 0 50 FKAA COc1ccc(C2=C[C@@H](c3ccc(C)cc3)c3ccccc3O2)cc1OC 708629 VBJVGLHLGSTJDA-FQEVSTJZSA-N 358.437 5.578 0 50 FKAA biogenic CCC[C@H](C)c1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 1049206 RYLOIKBYLOTNOA-AWEZNQCLSA-N 367.474 5.486 0 50 FKAA Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c(C)c1 1786202 YTKZCFLUOXMPRZ-UHFFFAOYSA-N 359.860 6.311 0 50 FKAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 2732430 JMRRUBPEDXFBRA-UHFFFAOYSA-N 374.193 5.752 0 50 FKAA CCCc1cc(=O)oc2c(C)c(OCc3c(F)cccc3Cl)ccc12 2814018 CXVOTRUGRCMHLR-UHFFFAOYSA-N 360.812 5.425 0 50 FKAA C[C@H](NC(=O)/C=C(\N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1 5285733 RELZJOZXRBOZIZ-VPEGHVTCSA-N 370.496 5.256 0 50 FKAA CCCC(=O)N(c1ccc(N(C(=O)CCC)[C@H](C)CC)cc1)[C@@H](C)CC 5614639 SIDWMUIGZWHTCW-HDICACEKSA-N 360.542 5.550 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 257357316 NIXXKMPUWREKQR-LBYRQTAISA-N 372.549 5.430 0 50 FKAA Cn1ccc2cccc(-c3ccc(COc4ccccc4C(=O)O)cc3)c21 1875343495 LCZAEPNXXHUHDD-UHFFFAOYSA-N 357.409 5.123 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(Br)c1 641037 AUORNLKDJBEEBL-UHFFFAOYSA-N 360.295 5.948 0 50 FKAA COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1 1073829 VNPZVLYHDJQAHX-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA Cc1sc(Nc2ccc3ccccc3c2)nc1-c1ccc(Cl)cc1 2566365 AFGFXIGHDIIUPR-UHFFFAOYSA-N 350.874 6.669 0 50 FKAA CCCCOc1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1 2846116 ZVXKVHOJPYNCPL-UHFFFAOYSA-N 366.442 5.474 0 50 FKAA CCCN1CC[C@@H](c2cc(OC)c(OC)c(OC)c2)Sc2ccccc21 12041373 JSTLYJCIXYLDDG-IBGZPJMESA-N 373.518 5.166 0 50 FKAA CC(=O)[C@H](C(=O)c1ccc(F)cc1)[C@@H]1c2ccccc2Oc2ccc(C)cc21 20109704 PUSPTFVNSPKPLD-XZOQPEGZSA-N 374.411 5.460 0 50 FKAA COc1cc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)cc(OC)c1 35561756 NPPXEDJNJPJEOX-OAQYLSRUSA-N 368.477 5.161 0 50 FKAA Clc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1Cl 39769777 BEZVXVHCCOVMBX-UXHICEINSA-N 367.364 5.222 0 50 FKAA CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](CC)C(=O)O 102994297 BJWBBLXGIBDIRJ-SGWGQVFISA-N 367.574 6.003 0 50 FKAA COc1ccccc1[C@H]1CC[C@H](C)CN1c1nc2cc(F)c(F)cc2s1 1875307930 WQBCCNKLJSENTL-YVEFUNNKSA-N 374.456 5.561 0 50 FKAA COCCn1nc(C)c(-c2ccc(Oc3ccccc3Cl)cc2)c1C 1875340020 IHCGJOHYLYFASB-UHFFFAOYSA-N 356.853 5.259 0 50 FKAA CCN(CC)c1ccc(C=O)c(OCc2ccc(Cl)cc2Cl)c1 665467 IOHNAWYWRSTXJZ-UHFFFAOYSA-N 352.261 5.231 0 50 FKAA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccs1 666226 GBLJGKNHXYZFFV-UHFFFAOYSA-N 354.818 5.462 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1cncc(Br)c1 952670 MJNMFOZGOQCBDH-UHFFFAOYSA-N 361.283 5.343 0 50 FKAA O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccccc1 1001759 VBTGMDCXFAQVAC-UHFFFAOYSA-N 364.404 5.900 0 50 FKAA c1ccc2sc(SCc3nnc(NC4CCCCC4)s3)nc2c1 1746603 IRMXZIOGBWRDHZ-UHFFFAOYSA-N 362.549 5.185 0 50 FKAA S=C(NCCC(c1ccccc1)c1ccccc1)NC1CCCCC1 2979752 VYMJBEBDJWUNLB-UHFFFAOYSA-N 352.547 5.005 0 50 FKAA CCCc1cc(=O)oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc12 2983359 BKQBNXRWUIOIJG-UHFFFAOYSA-N 372.420 5.160 0 50 FKAA C[C@@H]1CC[C@@H](C(C)(C)C)[C@H](OC(=O)CSc2nc3ccccc3[nH]2)C1 3832547 QOZAFYMLPRLTRP-CKEIUWERSA-N 360.523 5.049 0 50 FKAA Clc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)sc2ccccc12 4753761 ODGYXXRFNIVWQR-UHFFFAOYSA-N 356.790 5.000 0 50 FKAA Brc1ccc([C@H](Cc2ccccc2)Nc2ccccn2)cc1 5003333 VZNPIWOMLCGZJN-SFHVURJKSA-N 353.263 5.240 0 50 FKAA CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c2ccccc2oc1=O 5158566 NJJDBBUWWOAOLD-CFBAGHHKSA-N 366.501 6.460 0 50 FKAA biogenic,in-vitro COc1cccc([C@@H]2CCCN2Cc2nc(-c3ccc(C)s3)oc2C)c1 12750328 CXIAAAXDDJSGEG-IBGZPJMESA-N 368.502 5.366 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccccc4)cc3)[nH]c2c1 17441347 OEOSEBFAZSNGNI-UHFFFAOYSA-N 373.481 5.269 0 50 FKAA aggregator CC(C)(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 19910522 GLGSPOATOUUCTE-CROMWVBPSA-N 354.490 5.063 0 50 FKAA CCOc1ccc([C@@H](Nc2cccc(C)c2)P2(=O)OCCCO2)cc1 22017857 GIVOUHYSOIHCAD-IBGZPJMESA-N 361.378 5.134 0 50 FKAA COc1ccccc1Oc1ccc(Cl)cc1NC(=O)Cc1cccs1 72115643 AQNCGRPYYXWUQE-UHFFFAOYSA-N 373.861 5.384 0 50 FKAA FC(F)(F)c1cccc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)O2)n1 1857524207 XBWCMBMCBMJRRZ-RBUKOAKNSA-N 368.358 5.360 0 50 FKAA Cc1ccc([C@@H](Nc2nc(O)c3ccccc3n2)c2ccccc2)c(C)c1 1875257385 VHSYCRXHXNORLE-NRFANRHFSA-N 355.441 5.154 0 50 FKAA O=C(NCCCCc1ccccc1)N[C@H]1C[C@H](c2ccc(F)c(Cl)c2)C1 2325866581 QHOIBIHJOMHBHA-IYARVYRRSA-N 374.887 5.047 0 50 FKAA CC(C)c1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 639854 XGYNTBVZSJJGOO-UHFFFAOYSA-N 358.485 6.044 0 50 FKAA Cc1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1C 651859 VQGAOJCZGZYUOL-UHFFFAOYSA-N 350.270 6.077 0 50 FKAA COc1cc2c(cc1OC)[C@H](c1ccc(C)o1)SC(c1ccc(C)o1)=N2 820285 NIPYXZCKIFILAL-LJQANCHMSA-N 369.442 5.421 0 50 FKAA biogenic Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2ncnn21 1111533 NYTZSXXJKUORDH-SJORKVTESA-N 359.260 5.040 0 50 FKAA O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cccnc1 1126610 AVUNFYHTWSATMO-UHFFFAOYSA-N 363.467 5.186 0 50 FKAA O=C(NC1CCCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1140956 ALZMBLJWJFNEJS-UHFFFAOYSA-N 353.306 5.177 0 50 FKAA COc1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 1147701 DJWLDJPCGZJBTO-OBGWFSINSA-N 363.844 5.528 0 50 FKAA CCOc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 1410830 HFRQZQBEUJOXET-UHFFFAOYSA-N 364.470 5.687 0 50 FKAA CCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 2738135 KRCCXJRIIFMRPA-UHFFFAOYSA-N 370.449 5.299 0 50 FKAA CCCCSc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 2839359 GPDODZQUBDXWIP-UHFFFAOYSA-N 367.561 5.102 0 50 FKAA S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1ccccc1 2846164 JLDFDOOXIFABTM-UHFFFAOYSA-N 373.308 6.469 0 50 FKAA COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 5060174 CICGTJSEXGFXAZ-UHFFFAOYSA-N 374.746 5.020 0 50 FKAA COc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 5071693 FFNAWSGLSGJCBD-UHFFFAOYSA-N 366.424 5.296 0 50 FKAA Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 13757777 UNBFLPWZMOGXHA-FXAWDEMLSA-N 366.873 5.644 0 50 FKAA CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 17315927 RXMOJBPBYPRQPX-QPPBQGQZSA-N 370.452 5.328 0 50 FKAA Fc1cccc(Cl)c1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 25781671 HCXWBAZKODSCAK-JXFKEZNVSA-N 368.795 5.314 0 50 FKAA CSc1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1 132915247 VRFWTBGBSNKWHI-UHFFFAOYSA-N 366.273 5.377 0 50 FKAA Cc1ccc(-c2csc3ncn(Cc4ccccc4C)c(=O)c23)cc1C 645733 LNVBYERVGQMRFF-UHFFFAOYSA-N 360.482 5.099 0 50 FKAA Brc1ccc(-c2nc3ccccc3n2Cc2ccccc2)o1 13788194 LRDBXVVVIGUWCP-UHFFFAOYSA-N 353.219 5.107 0 50 FKAA Cc1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc2cc(Cl)ccc12 19720919 UNMAKQQVDYFZES-UHFFFAOYSA-N 372.299 5.177 0 50 FKAA C/C(=C\c1ccco1)CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 20819580 UDUGNEUIKUKEID-FOWTUZBSSA-N 365.452 5.092 0 50 FKAA S=C(Nc1ccccc1)N(C1CCCCC1)[C@H]1C[C@@H]1c1ccccc1 22014284 QITMOQSHQJHWSX-RTWAWAEBSA-N 350.531 5.574 0 50 FKAA COc1ccc(-c2ccccc2)cc1NCc1ccc(Br)o1 23283139 DJAQQSYSFOLNGQ-UHFFFAOYSA-N 358.235 5.330 0 50 FKAA COc1ccc(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)c2ccccc12 67432705 MROQIWYRAFRCFU-UHFFFAOYSA-N 372.415 5.043 0 50 FKAA CCn1ccnc1CN1CCc2c([nH]c3ccccc23)[C@@H]1C1CCCCC1 96129287 PHKDPTVXVFILDF-QHCPKHFHSA-N 362.521 5.064 0 50 FKAA Cc1cccc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 101424595 XJNRIRJZCVCTFI-HSZRJFAPSA-N 355.462 6.246 0 50 FKAA Cc1cc2nnc(SCc3ccc(Cl)c(Cl)c3)n2c2ccccc12 628731 PYNNYJVAXRFNBI-UHFFFAOYSA-N 374.296 5.790 0 50 FKAA Cc1oc2ccc(OCc3ccccc3Cl)cc2c1C(=O)OC(C)C 634143 RVRFJGMYHHUGIW-UHFFFAOYSA-N 358.821 5.539 0 50 FKAA biogenic O=C(C[C@H](Nc1ccc2ncccc2c1)c1ccccc1)c1ccccc1 754950 LHKFVCVUJWBPFO-QHCPKHFHSA-N 352.437 5.661 0 50 FKAA COc1cc(/C=C/C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 951247 JPVOPTWOOUPCSO-WYMLVPIESA-N 373.452 5.235 0 50 FKAA COc1ccc(OCCCC(=O)Oc2ccc(-c3ccccc3)cc2)cc1 1904103 GNTBTDGRTOSSBQ-UHFFFAOYSA-N 362.425 5.127 0 50 FKAA Cc1ccc2sc(-c3ccc(NC(=O)CCc4ccccc4)cc3)nc2c1 2843651 RUSTVYHJQSOMPQ-UHFFFAOYSA-N 372.493 5.843 0 50 FKAA C(=C/c1ccc(-c2ccc(/C=C/c3ccccc3)cc2)cc1)\c1ccccc1 3177327 ZMLPKJYZRQZLDA-PHEQNACWSA-N 358.484 7.694 0 50 FKAA O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(F)cc1F 4810813 YZRJALBHQNIHDA-UHFFFAOYSA-N 359.759 5.663 0 50 FKAA CCCCCC1CCC(c2ccc(NC(=O)N3CCOCC3)cc2)CC1 5860124 VXGBYYFZDSRDGL-UHFFFAOYSA-N 358.526 5.405 0 50 FKAA c1ccc2c3c([nH]c2c1)[C@@H](C1CCCCC1)N(Cc1nccs1)CC3 14954987 QSAXSEXWPIHCHD-OAQYLSRUSA-N 351.519 5.304 0 50 FKAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2sccc2C)n1 19223762 CLZZDFZWLFBNQN-HSZRJFAPSA-N 373.525 5.389 0 50 FKAA Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccnc1 19811830 YRRCKVBRWDTETQ-XMMPIXPASA-N 353.469 5.019 0 50 FKAA CC(C)C1CCC([C@@](C)(O)CNCc2ccc3ccccc3c2F)CC1 2325842382 WVAQXGFQCNKYAQ-MLFGXNJISA-N 357.513 5.282 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c(C)c1 1113352 CMBKHWFFUUNOFV-UHFFFAOYSA-N 370.452 5.981 0 50 FKAA Cc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)c(C)c1 1144230 HMRGMTTYUAFERG-UHFFFAOYSA-N 354.302 5.482 0 50 FKAA Cc1cc(=O)oc2cc(OCc3c(Cl)cccc3Cl)c(Cl)cc12 1182036 XUWZEEUCWQGMGV-UHFFFAOYSA-N 369.631 5.641 0 50 FKAA Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2082488 VOHKLLYPJXUNDB-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA Cc1ccc2nc(-c3ccccc3)c(C)c(C(=O)NCc3ccccc3)c2c1 2867461 YLEUUPBASSJDSK-UHFFFAOYSA-N 366.464 5.449 0 50 FKAA Ic1c(-c2ccccc2)cccc1-c1ccccc1 71782894 RLZYBGOJAWOQMK-UHFFFAOYSA-N 356.206 5.625 0 50 FKAA C[C@@H](F)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 96032888 RUNACDQZPZNQMN-GOSISDBHSA-N 373.471 6.554 0 50 FKAA in-vitro Cc1ccccc1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 216942557 SVEXDAQNEHDPKV-UHFFFAOYSA-N 351.858 6.092 0 50 FKAA Clc1ccc(C2=N[C@H](C3CCCCC3)N3[C@@H]2[C@H]3c2ccccc2)cc1 254302136 YWYLMPYWIUGPLF-UIRGVMFGSA-N 350.893 5.475 0 50 FKAA CCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12 2079451 KGDIYWQGQVLFDM-UHFFFAOYSA-N 369.848 5.521 0 50 FKAA O=C(CSc1cccc2ccccc12)Nc1cccc(C(F)(F)F)c1 4810532 QKHCHLCDXPYQDN-UHFFFAOYSA-N 361.388 5.589 0 50 FKAA O=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)c1ccccc1 5737150 RBCDPQBTJNKGJH-FQEVSTJZSA-N 350.849 5.446 0 50 FKAA Clc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 19322433 BIVVUEDCEFVFDU-UHFFFAOYSA-N 362.904 5.357 0 50 FKAA CC(C)OP(=O)(OC(C)C)[C@H](NCc1ccccc1)c1ccccc1 19707973 IKJSYELZPQNAQS-FQEVSTJZSA-N 361.422 5.518 0 50 FKAA CCCCCn1cc(C(=O)Oc2ccc3ncccc3c2)c2ccccc21 95726730 KDWWTTHVTXGQLC-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro CC(C)(C)OC(=O)N(Cc1ccc(Br)c(F)c1)C1CCCC1 396142915 SIUHKVUOPSTCKV-UHFFFAOYSA-N 372.278 5.268 0 50 FKAA CCCN(CCC)CCOC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 1875357791 WZXDOWFPAPLMHB-UHFFFAOYSA-N 368.521 5.008 0 50 FKAA COc1cccc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c1 1059382 IFSBQIRYXSBRMW-RVMZIBIISA-N 369.464 5.321 0 50 FKAA O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccco1 1146611 MRIIGQSLUQMJJS-UHFFFAOYSA-N 373.195 5.647 0 50 FKAA O=C(NCCc1ccccc1)c1ccc(CSCc2ccccc2)cc1 1186099 JDZLJMPRRLWRNU-UHFFFAOYSA-N 361.510 5.093 0 50 FKAA COc1cc(C)c(C(=S)Sc2c(C)cc(C)cc2C)c(C)c1C(C)C 2023002 WUOJPFGMUFLQRZ-UHFFFAOYSA-N 372.599 6.829 0 50 FKAA C/C=C/c1ccc(OCCOc2cccc(C(F)(F)F)c2)c(OC)c1 2985171 ZGHNRHCGHKALPJ-HWKANZROSA-N 352.352 5.205 0 50 FKAA CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C(=O)c1ccc(N)cc1 5193331 WNGHEVVSGPPVMV-BGYRXZFFSA-N 360.586 6.144 0 50 FKAA Cc1ccc(C(C)C)c(OCc2ccc(-c3nnc(S)n3C3CC3)o2)c1 17075755 FOUXJNGXBSSORP-UHFFFAOYSA-N 369.490 5.173 0 50 FKAA CN1CCC(=C2c3ccccc3Sc3ccc(Br)cc32)CC1 60130272 UHGZJXZINNENOT-UHFFFAOYSA-N 372.331 5.441 0 50 FKAA Cc1cc(C)c(NC(=O)COc2ccc(-c3ccccc3)cc2)c(Cl)c1 951488 HUOGCTFXZAQXBT-UHFFFAOYSA-N 365.860 5.641 0 50 FKAA C[C@@H](NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 2863004 IKCAZUBZLAJGQU-MRXNPFEDSA-N 365.860 5.410 0 50 FKAA COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCCC2)c1 5235438 CJSMZRKLOOXNPP-LJQANCHMSA-N 368.864 5.162 0 50 FKAA CCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 13543649 RSEPBGGWRJCQGY-YFZQLAKJSA-N 356.506 5.350 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)C1(O)Cc1ccccc1 13552883 YRMXCILLNZAXNX-GQUJEBGOSA-N 371.524 5.318 0 50 FKAA Cc1nc([C@H](C)N(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)c(C)s1 91548195 RNIPYODITAVBDC-VIFPVBQESA-N 357.306 5.208 0 50 FKAA COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@H](c4ccccc4)N23)cc1 230068351 HMZHNFLAEYLLKZ-FKDZGSJQSA-N 374.871 5.276 0 50 FKAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1Cl 805619 LYBXDHXYZRSSRP-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCc1ccccc1 1134490 GJMRTLZQONTSGQ-UHFFFAOYSA-N 356.425 5.375 0 50 FKAA O=C(Cc1ccccc1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 1216746 GUUTXZZTALYBIL-UHFFFAOYSA-N 362.816 5.329 0 50 FKAA Clc1ccc(CSc2nnc(-c3ccccc3Cl)o2)c(Cl)c1 1948617 PQRBRMBXCDBYNP-UHFFFAOYSA-N 371.676 5.989 0 50 FKAA CCCCCc1ccc(-c2coc3cc4oc(=O)cc(CCC)c4cc23)cc1 2151357 PVKZRBRQBKDMHW-UHFFFAOYSA-N 374.480 6.891 0 50 FKAA biogenic COc1ccc(NC(=S)Nc2ccccc2-c2ccccc2)cc1OC 2855473 YCSHSAYYXQJLSX-UHFFFAOYSA-N 364.470 5.180 0 50 FKAA C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2(CCCCCC2)O1 4108215 QARNRQPSEMJMRH-ZDUSSCGKSA-N 356.388 5.009 0 50 FKAA Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CCCC[C@@H]3C)c2c1 6789012 JJELUYOQHFQGIN-IBGZPJMESA-N 372.512 5.842 0 50 FKAA Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 13809900 XBUHUSQHVDHOTG-YLJYHZDGSA-N 350.805 5.175 0 50 FKAA COc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1 16677758 GLAWGAJBLDJJOM-HSZRJFAPSA-N 360.501 5.242 0 50 FKAA CN(Cc1ccccc1)[C@@]1(CC(=O)OC(C)(C)C)C(C)(C)[C@H]2CC[C@@]1(C)C2 104119903 HMKFVDJIGANPCR-IGKWTDBASA-N 371.565 5.435 0 50 FKAA Oc1nc2ccc(-c3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2o1 917629803 WUYLXJWZWSFHDN-UHFFFAOYSA-N 362.332 5.343 0 50 FKAA O=c1ccc2ccc(Oc3ncnc4scc(-c5ccccc5)c34)cc2o1 632021 MIIJBBIYHZEJLZ-UHFFFAOYSA-N 372.405 5.257 0 50 FKAA CC(C)C(=O)Nc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 792149 OLTQSSCQYKNIQC-UHFFFAOYSA-N 372.877 5.402 0 50 FKAA CCC[C@@H](C)c1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 1049186 UFHQXUATEBGUHZ-CQSZACIVSA-N 351.475 5.361 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2ccccc2Cl)c2ccccc2)cc1 1167778 BXVUYNIHPHQLPF-XDJHFCHBSA-N 363.844 5.528 0 50 FKAA Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cccs4)c3)nc2c1 1207819 YIXVCWAZSMCTCD-UHFFFAOYSA-N 362.454 5.734 0 50 FKAA O=C(CSc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 2874478 LVMNHURVXMLQMR-UHFFFAOYSA-N 353.418 5.349 0 50 FKAA CC(C)[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 5498437 IBKVVCZBZGCZNI-HKUYNNGSSA-N 361.272 5.519 0 50 FKAA Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NCc3ccco3)c2c1 6789029 HIBANJCGBKUCCH-UHFFFAOYSA-N 370.452 5.350 0 50 FKAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1 722646 XRQVLUVUXXVHQV-UHFFFAOYSA-N 366.848 5.410 0 50 FKAA Cc1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 1066839 PSTITRYDAFFGSV-UHFFFAOYSA-N 362.436 5.434 0 50 FKAA COc1ccc(OC)c(NC(=O)Nc2ccccc2Oc2ccccc2)c1 1117566 JMQBKRUGQPPXFI-UHFFFAOYSA-N 364.401 5.140 0 50 FKAA COP(=O)(OC)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 2810212 DQQMXUQDUVSGDP-INIZCTEOSA-N 373.311 5.610 0 50 FKAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(CCCC)cc2)cc1 2854539 NSOGKYVRXHBCGJ-UHFFFAOYSA-N 352.478 5.410 0 50 FKAA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(C)cc2C)c1 2906762 YQIWJRDVQZUVSV-HSZRJFAPSA-N 369.508 5.865 0 50 FKAA Cc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 20149102 PXJLCUCNAHNABV-UHFFFAOYSA-N 370.496 5.114 0 50 FKAA Cc1cc(N[C@@H](C)c2ccccc2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798910 JPTMOJSVZSQATI-HNNXBMFYSA-N 360.436 5.325 0 50 FKAA CCCC(=O)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2 22205409 OUHPUHINZBJUBX-UHFFFAOYSA-N 365.864 5.321 0 50 FKAA biogenic COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 248267271 YHTRVWPOAJKWBV-DGJNRDHSSA-N 374.609 6.625 0 50 FKAA Cc1ccc(CNC(=O)C2(Oc3ccccc3Cl)CCCCC2)cc1 1857798080 MTYSRYSHUSGTNP-UHFFFAOYSA-N 357.881 5.047 0 50 FKAA C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1cccc(Cl)c1 1875306238 YEAILTYANVSFOU-LBPRGKRZSA-N 370.802 5.454 0 50 FKAA Cc1cc(Cl)cc(-c2cncc3sccc23)c1OC1CCNCC1 1875330267 VNDXODNNCXKPHD-UHFFFAOYSA-N 358.894 5.056 0 50 FKAA CC(=O)Oc1ccc2ccccc2c1-c1c(OC(C)=O)ccc2ccccc12 623075 ATCPATYOODPQCO-UHFFFAOYSA-N 370.404 5.511 0 50 FKAA Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1C 1110451 ICUJEUHAFGWHOV-UHFFFAOYSA-N 354.302 5.482 0 50 FKAA COc1ccc2c(Cl)c(C(=O)Nc3ccc(F)cc3)sc2c1Cl 1163752 IPOVIPMMXYTRPZ-UHFFFAOYSA-N 370.232 5.608 0 50 FKAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)Cc1ccccc1 1201320 RNVXSUDKCIBMKH-UHFFFAOYSA-N 358.466 5.453 0 50 FKAA CCCCOc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 1777484 IFGFQBDNWNUAQX-UHFFFAOYSA-N 361.869 5.317 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccc2Cl)no1 2889370 RRFQNXDJUIWDHK-UHFFFAOYSA-N 372.211 5.674 0 50 FKAA CCOc1ccc(OCCCCOc2cccc(C(F)(F)F)c2)cc1 2985390 LCXMZBFOMRDHAR-UHFFFAOYSA-N 354.368 5.342 0 50 FKAA C[C@@]12CCC[C@@H]1[C@H]1CC=C3C[C@H](OC(=O)C(F)(F)F)CC[C@]3(C)[C@@H]1CC2 254752746 OGQQARADPATKJB-VFCLNGDNSA-N 370.455 5.813 0 50 FKAA CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OCc1ccc(C(F)(F)F)cc1 261508141 PZDDIWBQJQTMST-HZPDHXFCSA-N 373.415 5.058 0 50 FKAA CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(-c2ccccc2)cc1 2325825386 OFPLFAWLRSRZQV-UHFFFAOYSA-N 359.469 5.199 0 50 FKAA COc1ccc2c(c1)CCN2C(=S)Nc1c(C(C)C)cccc1C(C)C 2325852790 SXYMWYWZUQPASY-UHFFFAOYSA-N 368.546 5.702 0 50 FKAA O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccccc2)nc2ccccc12 1136874 KWTOXQCCTGQDTA-UHFFFAOYSA-N 374.827 5.513 0 50 FKAA Cc1ccccc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1941384 WIDQLJMOPGLCPA-UHFFFAOYSA-N 356.421 5.656 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1Br 2771265 ILMVCVRUDCCOPQ-UHFFFAOYSA-N 366.214 5.601 0 50 FKAA COc1cc2c(cc1NC(=O)c1ccc(F)cc1F)oc1ccccc12 4510616 JKDMYXAVJPXUOV-UHFFFAOYSA-N 353.324 5.125 0 50 FKAA Cc1cccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 5755628 AABGRGGRENIBDS-UHFFFAOYSA-N 367.832 5.458 0 50 FKAA Sc1nnc(CSCc2ccccc2)n1-c1cccc2ccccc12 17074810 ZPGGQUWNROJUFS-UHFFFAOYSA-N 363.511 5.143 0 50 FKAA CCCCN(Cc1cccnc1)C(=O)c1cccc(-c2ccc(NC)cc2)c1 299757476 KCRTYXIUQYTFIZ-UHFFFAOYSA-N 373.500 5.233 0 50 FKAA Clc1cccc(-c2cc3c(c(OCc4ccsc4)c2)OCCNC3)c1 299792478 FIFSXDQDKUXHDG-UHFFFAOYSA-N 371.889 5.130 0 50 FKAA Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccccc2C)n1 486448108 UOQCVULESAARBB-UHFFFAOYSA-N 360.244 5.048 0 50 FKAA Cc1nc(Oc2cccc(C(F)(F)F)c2)c2c3c(sc2n1)CCC3 723926 ZRYWRMGXJRLJHT-UHFFFAOYSA-N 350.365 5.300 0 50 FKAA CCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1 828041 BVNPDZQVOXZXGW-UHFFFAOYSA-N 372.424 5.454 0 50 FKAA COc1ccccc1-n1sc2c(c1=S)-c1ccc(C)cc1NC2(C)C 984995 WXWFRUFWNHYHLL-UHFFFAOYSA-N 368.527 5.913 0 50 FKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc2ccccc2o1 990039 MVLLNBUHZDTNIW-UHFFFAOYSA-N 368.392 5.802 0 50 FKAA Nc1nc(Br)c2c(F)cccc2c1-c1ccc(Cl)cc1 1391577 BOFIIENWQLWQQA-UHFFFAOYSA-N 351.606 5.039 0 50 FKAA aggregator Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)cc1Cl 3116635 IKUMRUSOIPZGLX-UHFFFAOYSA-N 365.241 5.040 0 50 FKAA Cc1ccc(SCc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3133634 DBDYOLATZNBHSO-UHFFFAOYSA-N 358.462 6.265 0 50 FKAA Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cccs1 5077972 WKZBCPDXMKAXBG-UHFFFAOYSA-N 351.515 5.777 0 50 FKAA Sc1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 5427824 LYPXCTPZMMXXAV-GJZGRUSLSA-N 362.285 5.134 0 50 FKAA O=C(Cc1coc2ccc3ccccc3c12)Nc1cccc(C(F)(F)F)c1 702397 UIZGWJORWHAPHW-UHFFFAOYSA-N 369.342 5.786 0 50 FKAA Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)c1 707423 HPTTXYLOONTEMF-OAQYLSRUSA-N 362.860 5.728 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)NC1CCCCC1 852651 KWWQJROKPOOZHQ-UTKZUKDTSA-N 363.505 5.481 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1ncc(C(F)(F)F)cc1Cl 869309 PNJGNVNIEQGTKO-UHFFFAOYSA-N 350.127 5.051 0 50 FKAA COc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 1001341 WYEJUAQFBOYYPU-UHFFFAOYSA-N 364.401 5.140 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 1133369 WMXFISIHZSIOIR-UHFFFAOYSA-N 360.910 5.061 0 50 FKAA Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2450087 ZHFGGQDNEUBQIU-UHFFFAOYSA-N 350.274 5.081 0 50 FKAA O=S(=O)(Oc1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1 2812443 KZEHPSXLQPWDDS-UHFFFAOYSA-N 360.434 5.275 0 50 FKAA CCOc1ccccc1OCCCOc1c(C)cc(Cl)cc1Cl 2985330 SHGYDOLFCUUZEP-UHFFFAOYSA-N 355.261 5.548 0 50 FKAA Clc1cccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)c1 4951881 JSPHGHCWGHYBMG-WOOPDLCSSA-N 358.872 6.361 0 50 FKAA O=c1c(-c2ccc(Cl)c(Cl)c2)c[nH]n1-c1ccc(Cl)c(Cl)c1 5944063 KVMFWTXLJDOZIV-UHFFFAOYSA-N 374.054 5.446 0 50 FKAA CC(C)c1ccc(-n2c(S)nnc2CSCc2ccccc2)cc1 6365192 IJKMKEFXGLSOIM-UHFFFAOYSA-N 355.532 5.113 0 50 FKAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2ccc(Cl)cn2)CC1 2325895323 XYQJMXCLZVXRQC-KOMQPUFPSA-N 374.937 5.336 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1 828363 CHLVKQBDVQGHAX-HRAATJIYSA-N 360.432 5.418 0 50 FKAA COc1cccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)c1 865363 PRLLUCCDMVWYAI-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1cccc(Cl)c1 1080140 GALFXJZPXBMJNY-UHFFFAOYSA-N 353.853 5.022 0 50 FKAA CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3ccccc3F)s2)cc1 1179214 VPFUQCAJROVPJJ-UHFFFAOYSA-N 370.453 5.286 0 50 FKAA O=S(=O)(Nc1ccccc1Cl)c1cc(Cl)c(Cl)cc1Cl 2840589 OBJKFEOGZGVYQG-UHFFFAOYSA-N 371.072 5.101 0 50 FKAA O=C(Oc1ccc2ccccc2c1Cl)c1c(F)c(F)c(F)c(F)c1F 2846897 HOQVVNMLLGYEOC-UHFFFAOYSA-N 372.676 5.408 0 50 FKAA CC[C@H](C)c1ccc(-n2nc(C)c(C(=O)O)c2-c2ccc(Cl)cc2)cc1 4237731 RGEIJNMVNWZMAD-ZDUSSCGKSA-N 368.864 5.713 0 50 FKAA COc1cc(/C=C/c2ccc3ccccc3n2)ccc1OCc1ccccc1 4998878 ASAFGKDSWAPCCU-SDNWHVSQSA-N 367.448 5.993 0 50 FKAA COc1ccc(-c2nc(CN(C)[C@@H](C)c3cccs3)c(C)o2)c(F)c1 12431765 GECRNWYTKXBPHY-LBPRGKRZSA-N 360.454 5.052 0 50 FKAA O=C(CCCN1CC=C(Sc2ccccc2)CC1)c1ccc(F)cc1 96028111 YRKNGUUHVLXRBR-UHFFFAOYSA-N 355.478 5.171 0 50 FKAA Cc1ccc2nc(Nc3ccccc3C(=O)O)nc(-c3ccccc3)c2c1 252499967 SKEQWQHGTHEHAR-UHFFFAOYSA-N 355.397 5.047 0 50 FKAA O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc2ccccc2o1 839020 NMBGZKVQZJZHOV-UHFFFAOYSA-N 354.365 5.493 0 50 FKAA CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 1151177 VBLALRIYIGTXRN-VGOFMYFVSA-N 374.440 5.307 0 50 FKAA CCc1ccccc1-n1c([C@@H]2C[C@@H]2c2ccc(Cl)cc2)n[nH]c1=S 2791813 GBHGJCGJWKLHCP-HZPDHXFCSA-N 355.894 5.417 0 50 FKAA O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Cl)cc1 2880721 IPQDSFVSQSHOIV-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA CCC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN12 4853988 LSHZPAUPRUOGLC-HKUYNNGSSA-N 371.278 5.119 0 50 FKAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc(-c2ccccc2)cs1 5064179 JGVGNPGOEQJBFN-UHFFFAOYSA-N 352.503 5.355 0 50 FKAA c1ccc(-c2csc(-c3cccc(-c4nc5ccccc5[nH]4)c3)n2)cc1 85999933 AQFJESQNSPPQDH-UHFFFAOYSA-N 353.450 6.020 0 50 FKAA CCCCOc1ccc(CNC(Cc2ccccc2)Cc2ccccc2)cc1 95918028 HWOSUOKSSDYEIL-UHFFFAOYSA-N 373.540 5.809 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)Oc1ccc(Cl)c2cccnc12 640553 LCQUPCRIQFPEOX-UHFFFAOYSA-N 367.619 5.806 0 50 FKAA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc(F)c1 677784 IYRDZRXGRYIWIL-UHFFFAOYSA-N 350.324 5.025 0 50 FKAA Brc1cscc1CCc1cscc1Br 690348 DTFXFBQAHSEKAT-UHFFFAOYSA-N 352.116 5.120 0 50 FKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 849838 BTESNZZMSZYEQD-UWJYYQICSA-N 357.457 5.671 0 50 FKAA COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2ccccc2)cc1 958627 WQKWXKGOPGVHLB-UHFFFAOYSA-N 367.832 5.033 0 50 FKAA CC(C)N(C(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O)C(C)C 2859416 FSMPIXPHEVVHEL-GOSISDBHSA-N 359.897 5.213 0 50 FKAA CCCC[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2CCCC)cc1 4017633 ZFRQJCSUEYJJQM-OBMJPTGESA-N 356.510 5.216 0 50 FKAA O=C(COc1c(Cl)cccc1Cl)Nc1cccc(C(F)(F)F)c1 4542107 BIXLJFBMTMAMDM-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)OC[C@H]1CCC(C)(C)C1 1875342881 LLWCVJDMCOOLOL-SJORKVTESA-N 367.489 5.214 0 50 FKAA CO[C@@H](c1nc(C2CCC2)nn1-c1ccc(Cl)c(Cl)c1)C(C)C 1875348330 NLMWBXXCNRGBJI-OAHLLOKOSA-N 354.281 5.185 0 50 FKAA S=c1n(CNc2ccccc2)c2ccccc2n1CNc1ccccc1 640376 MYHYVKHEYKPFMF-UHFFFAOYSA-N 360.486 5.311 0 50 FKAA COc1ccc(/C=C/C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 1115422 ABIVGZXDERDSNW-QPJJXVBHSA-N 356.636 5.307 0 50 FKAA Cc1cc(C)c2c(N)c(C3=NC4(CCCC4)Cc4ccccc43)sc2n1 1425190 MHSHTIONTBFVJT-UHFFFAOYSA-N 361.514 5.202 0 50 FKAA CC(C)(C)CC(C)(C)c1ccc(Cc2ccc(Br)cc2)cc1 2147138 NIOPIOSJFNBHNK-UHFFFAOYSA-N 359.351 6.754 0 50 FKAA Cc1c2c(n(C)c1-c1ccccc1)[C@@H](c1ccccc1)Oc1ccccc1-2 4006489 ROBDPXNJRSPUDJ-RUZDIDTESA-N 351.449 6.149 0 50 FKAA O[C@@H]1/C(=C/c2cc(Cl)ccc2OCc2ccccc2)Oc2ccccc21 4832326 NEOFDOFWDRKBAC-YRUATGHUSA-N 364.828 5.386 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1cccs1)O2 4854277 CRHIXCIBDOYDRY-KBXCAEBGSA-N 372.902 5.705 0 50 FKAA Cc1cccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1C 4980859 HHQCELJSSDISEA-UHFFFAOYSA-N 370.540 5.258 0 50 FKAA Cc1ccc(C2=C3CCCCCC3=N[C@](O)(c3ccc(Cl)cc3)C2)cc1 5682715 AVYIGYAEVGROKY-HSZRJFAPSA-N 365.904 6.056 0 50 FKAA Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 29753681 KCLWRVQIRVOVLJ-UHFFFAOYSA-N 357.546 5.435 0 50 FKAA Clc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c(Cl)c1 43164405 ONAOYDSXVRGDBF-UXHICEINSA-N 367.364 5.222 0 50 FKAA FC(F)(F)c1ccccc1CC[C@@H]1CCCN(Cc2cscn2)C1 72154601 PCCGLBNKQYFKFC-AWEZNQCLSA-N 354.441 5.007 0 50 FKAA C=CC(=O)OCCCCCCCCCCCOc1ccc(C(=O)O)cc1 146816957 ZVJGUPHNZQESPW-UHFFFAOYSA-N 362.466 5.004 0 50 FKAA CC[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@H]3[C@@H]21 229894937 VHGFKDSDGGXKQI-SWAMLEPWSA-N 350.502 5.772 0 50 FKAA CC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-c2sc(C)nc2C)cc1 426415324 JESGBHPFMRRADN-LJQANCHMSA-N 365.502 5.045 0 50 FKAA CC(C)(C)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1875253661 BGHRGMZJGYVMRV-UHFFFAOYSA-N 359.274 5.059 0 50 FKAA COc1ccc(C2=C(CN(C)C)[C@H](c3ccccc3)c3ccccc3O2)cc1 708910 DAOGNIPTKRWQJW-XMMPIXPASA-N 371.480 5.192 0 50 FKAA Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4F)c3C)nc2c1 753375 RMJADYVGDPEODX-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA Cc1cccc(-c2nc(=S)c3c(n2CCc2ccccc2)CCCC3)c1 1061640 YKTMXAUEEHUZRF-UHFFFAOYSA-N 360.526 5.710 0 50 FKAA C[C@H]1C[C@@H](C)C[C@H](Sc2nnc(-c3ccco3)n2-c2ccccc2)C1 1875335217 WXRQSOJDMWZNIZ-QLPKVWCKSA-N 353.491 5.444 0 50 FKAA Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@@H](C)c1ccc(N(C)C)nc1 1875341649 ASWQJGFDKGZEES-ROUUACIJSA-N 352.526 5.008 0 50 FKAA O=C(Nc1cscc1Br)c1csc(C2CCCCC2)c1 2325771542 QPEPUALHWSYPLR-UHFFFAOYSA-N 370.337 5.872 0 50 FKAA Cc1c(CNC[C@@](C)(O)C2CCC(C(C)C)CC2)ccc2ccccc12 2325841641 BVJYXQWLAKVHML-MXJXRJBTSA-N 353.550 5.451 0 50 FKAA Cc1ccc2cccc(SCC(=O)c3ccc(Br)cc3)c2n1 827211 RPDVXNNTBYKRAO-UHFFFAOYSA-N 372.287 5.281 0 50 FKAA S=c1sc2c(s1)S[C@H]1CCCCCCCCCC[C@@H]1S2 2189266 IHUAOFOFJHWYCF-RYUDHWBXSA-N 362.676 7.389 0 50 FKAA CCOc1ccc(OCCCCOc2cccc(Cl)c2Cl)cc1 2987035 JAGNSVAAIDHDPN-UHFFFAOYSA-N 355.261 5.630 0 50 FKAA COc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc12 3642275 NGCUPKQMNGTAQR-UHFFFAOYSA-N 363.438 5.325 0 50 FKAA Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2cccc(F)c2)cc1 4502352 FEVPBWDRBHSXIF-OAQYLSRUSA-N 368.814 5.974 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 5586186 HOSUBACWGZYQPH-UHFFFAOYSA-N 362.860 5.649 0 50 FKAA CC(C)(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 43194557 YQUSXNRKHZXSGH-UHFFFAOYSA-N 362.860 5.549 0 50 FKAA CC(C)C[C@H](C)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67966375 IKVKYYDGUDIFOT-AWEZNQCLSA-N 352.400 5.417 0 50 FKAA CN(C(=O)CCC1CCCC1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 2325817706 OLBHARLQKHNVHP-QFIPXVFZSA-N 373.899 5.997 0 50 FKAA Cc1ccc2cccc(NC(=O)c3sc4ccccc4c3Cl)c2n1 672818 PTRHJBXRPSYDGC-UHFFFAOYSA-N 352.846 5.664 0 50 FKAA COc1ccc([C@]2(C)CCc3oc4ccccc4c3-c3oc(C)cc32)cc1 759140 LTYILOHSLAANKL-DEOSSOPVSA-N 358.437 6.262 0 50 FKAA biogenic O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc2ccccc12 786534 HIKWFAIWVBGZQX-UHFFFAOYSA-N 367.404 5.457 0 50 FKAA Cc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccccc4)c3n2)cc1 1116621 GAPUZXMDHUVERU-UHFFFAOYSA-N 353.347 5.391 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccccc1C(C)(C)C 1779810 LXRCVZJXYQMJDR-UHFFFAOYSA-N 367.533 6.248 0 50 FKAA COc1ccc2c(c1)C=C[C@@]1(O2)N(c2ccccc2)c2ccccc2C1(C)C 2270357 GNRRXQNSPVTOPU-VWLOTQADSA-N 369.464 5.927 0 50 FKAA CCCOc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 2526039 XKMFXUYJOFOSEZ-UHFFFAOYSA-N 355.821 5.351 0 50 FKAA Cc1c(NC(=O)/C=C/c2ccccc2)cccc1-c1nc2ccccc2s1 3002382 JHBDYFUMKZLYRI-CCEZHUSRSA-N 370.477 5.924 0 50 FKAA O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCc2ccccc2C1 4156051 XFZIGWFDJUEVJZ-JOCHJYFZSA-N 359.494 5.105 0 50 FKAA Cc1c(-c2c(-c3ccccc3)ncn2[C@@H]2CCCOC2)[nH]c2ccccc12 67803233 PQOFNFYYCVOINS-GOSISDBHSA-N 357.457 5.358 0 50 FKAA CC(C)(C)Nc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 225613673 MXJBTKKRPLAPPZ-UHFFFAOYSA-N 371.531 5.263 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3ccccc3n2)c(C)c1 670314 SWECLGRHADMVOY-QGZVFWFLSA-N 358.485 5.391 0 50 FKAA Cc1c(OCc2cccc(C(F)(F)F)c2)ccc2c3c(c(=O)oc12)CCC3 949211 HWYHZZUYAVJIGV-UHFFFAOYSA-N 374.358 5.188 0 50 FKAA Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)oc2cc1C 1212407 ZZPDGPFXVFVFQN-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA O=C(C[C@@H](Nc1ccc2ccccc2c1)c1ccccc1)c1ccccc1 2026039 HVZVGAJEGBRVST-XMMPIXPASA-N 351.449 6.266 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 4811325 LNECCGXDZZLMBE-JTHBVZDNSA-N 374.871 5.891 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO 8860468 SQKRUBZPTNJQEM-FQPARAGTSA-N 361.570 5.629 0 50 FKAA in-vivo CCCCCn1cc(C(=O)Oc2cccc3cnccc23)c2ccccc21 95803980 GFCQZKDLFJNMPV-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257347210 ACKIMFUPMAASSZ-LGWVFGBTSA-N 362.598 5.415 0 50 FKAA O=C(O)c1cc2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2s1 323944099 KZJOFQZYXLVRBC-UHFFFAOYSA-N 354.818 5.106 0 50 FKAA Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1Cl 681993 GQCWOASKVNBORM-UHFFFAOYSA-N 370.699 5.142 0 50 FKAA CC(C)COc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1 1154712 ZLASPKKZJUOFFJ-UHFFFAOYSA-N 351.418 5.288 0 50 FKAA aggregator O=C(Nc1ccccc1Cl)Oc1c(Cl)cc(Cl)c2ccccc12 1738599 IECWYFWRVLFIJS-UHFFFAOYSA-N 366.631 6.411 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 2855548 VFOXOSVKPAMSCO-INIZCTEOSA-N 355.551 5.855 0 50 FKAA Cc1ccc(C2=C3CCCCCC3=N[C@@](O)(c3ccc(Cl)cc3)C2)cc1 5682718 AVYIGYAEVGROKY-QHCPKHFHSA-N 365.904 6.056 0 50 FKAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(Cl)cc1 17749797 VVVDHWZBFXVETI-UHFFFAOYSA-N 364.857 5.869 0 50 FKAA Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1 36621049 MXWFCPYNPDCRCA-KRWDZBQOSA-N 359.267 5.127 0 50 FKAA Clc1ccc(C(=C2CN3CCC2CC3)c2ccc(Cl)s2)s1 55196017 TUJPGGHLZPGCAJ-UHFFFAOYSA-N 356.343 5.644 0 50 FKAA C[Si](C)(C)c1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@@H]3CCC1 195821990 DNNWFXVZCVGWPJ-HSZRJFAPSA-N 374.604 5.080 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@]12C 257356007 FEGCPHIPSRBREU-JWFYPXJISA-N 374.565 5.283 0 50 FKAA C[C@H](Sc1nc2ccc(F)cc2n1C)c1cccc(C(F)(F)F)c1 1875327243 RGPXIMYITOXEEG-JTQLQIEISA-N 354.372 5.585 0 50 FKAA CC(C)C1CCC([C@](C)(O)CNCc2ccc3ccccc3c2F)CC1 2325842383 WVAQXGFQCNKYAQ-VBVCHWQCSA-N 357.513 5.282 0 50 FKAA Cc1ccc([C@@H]2C[C@@H](c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 634030 GFAWITCFSGDEFK-GOTSBHOMSA-N 366.468 5.400 0 50 FKAA C[C@@]1(C(=O)Nc2ccccc2F)CC2c3ccccc3C1c1ccccc12 840314 ONPHZUNKOWLQRK-MXJXRJBTSA-N 357.428 5.452 0 50 FKAA COc1ccccc1C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C 869157 XLVZJSWQXQBNMM-UTKZUKDTSA-N 372.468 5.287 0 50 FKAA O=C(COc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 944913 WYIKTJLGNBEJEG-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1 1157930 OMRONLKFQLAKSM-VGOFMYFVSA-N 370.408 5.155 0 50 FKAA CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1cc(C)ccc1C 1186571 XTKODIQJPAAZFR-UHFFFAOYSA-N 368.477 5.771 0 50 FKAA Cc1ccc([C@@](O)(c2ccccc2)c2ccccc2[C@H](C)N(C)C)c(C)c1 5008624 CBZLKJDOSMRWOF-CPJSRVTESA-N 359.513 5.210 0 50 FKAA Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc(COC(C)C)c2C)cs1 189018850 LRBHLWGHJWAMHK-IBGZPJMESA-N 373.522 5.054 0 50 FKAA c1ccc(-c2nc(-c3cccc([C@H]4CCOC4)c3)n(-c3ccccc3)n2)cc1 1875349311 TUBLUDMBCPULSN-NRFANRHFSA-N 367.452 5.105 0 50 FKAA CCOc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 632002 ZWHRXJGGDSTLQG-UHFFFAOYSA-N 373.452 5.354 0 50 FKAA CC1(c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SCCS1 632772 HMIVSHWLBSLSCI-UHFFFAOYSA-N 350.892 5.212 0 50 FKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccccc1 836534 WDWFYHONAOKRIV-UHFFFAOYSA-N 352.437 5.140 0 50 FKAA COc1ccc(Cl)cc1Nc1nc(-c2sc(C)nc2C)cs1 888731 NUJPDNZSJGENAC-UHFFFAOYSA-N 351.884 5.289 0 50 FKAA COc1cccc(-c2cc(C(F)(F)F)n3nc(-c4ccccc4)cc3n2)c1 1109580 VUVUHJDJPJEBOT-UHFFFAOYSA-N 369.346 5.091 0 50 FKAA CCCCc1ccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)cc1 2526065 UGMULXQZHBVPNT-UHFFFAOYSA-N 353.849 5.904 0 50 FKAA COP(=O)(OC)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 2810213 DQQMXUQDUVSGDP-MRXNPFEDSA-N 373.311 5.610 0 50 FKAA CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1-c1ccccc1 2844458 YKGHUFHGMZBVLX-UHFFFAOYSA-N 358.441 5.345 0 50 FKAA CCOc1ccc(Nc2nc([C@]3(C)C[C@@H](CC(C)C)C(=O)O3)cs2)cc1 2979756 QDLPUUJKFFWQIR-VLIAUNLRSA-N 374.506 5.110 0 50 FKAA Cc1cc(C)c(C(=O)c2ccccc2C(=O)c2c(C)cc(C)cc2C)c(C)c1 3080763 QASBUHRBMUQEDW-UHFFFAOYSA-N 370.492 5.999 0 50 FKAA Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1 3684418 CCOWPQPKDFHXHZ-SFHVURJKSA-N 355.279 5.098 0 50 FKAA COc1ccc([C@@H](CCNCc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4029211 YWTIARYUAOPLGM-JTHBVZDNSA-N 367.533 5.164 0 50 FKAA biogenic Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 4282024 BYKUNAMVQPMIQN-XLIONFOSSA-N 366.873 5.644 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 4820451 MLWZFGKHEVPORE-UHFFFAOYSA-N 351.446 5.679 0 50 FKAA C[C@H](NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 4902988 LOSGSTOVRAKYCY-SXLOBPIMSA-N 357.563 5.778 0 50 FKAA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2cccc3ccccc23)c1 5682122 CITLWKPBGDSZOH-UHFFFAOYSA-N 365.432 5.632 0 50 FKAA Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)c4ccccc4)C3)c(C)o2)cc1 14968687 PZVDGWVHPJLFMF-NRFANRHFSA-N 374.484 5.053 0 50 FKAA Cc1ccsc1CNc1nc(C)c(-c2ccn(C3CCCC3)n2)s1 15070517 BIWYAEXYKXUHLY-UHFFFAOYSA-N 358.536 5.412 0 50 FKAA Cc1cc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)oc2cc1C 865370 XAEDAKWHDLPLHG-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 951546 MVZVGSZNDYFSJH-UHFFFAOYSA-N 361.228 5.518 0 50 FKAA O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccco2)nc2ccccc12 995084 NSGWQXMXZHDNCD-UHFFFAOYSA-N 362.816 5.078 0 50 FKAA COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 1210436 NPVLYTURBUGDDI-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA biogenic CSc1ccccc1NC(=O)CSCc1c(F)cccc1Cl 2873796 AQNUVHUHOFNQJQ-UHFFFAOYSA-N 355.887 5.073 0 50 FKAA O=C(CCC1CCCC1)Nc1ccccc1NC(=O)CCC1CCCC1 4902031 ZGWFBJFHATVDFZ-UHFFFAOYSA-N 356.510 5.504 0 50 FKAA C[C@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1 95589740 RFZPGNRLOKVZJY-AWEZNQCLSA-N 371.889 5.472 0 50 FKAA in-vivo CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 252337691 CRRKVZVYZQXICQ-MNXQRBMQSA-N 358.522 5.086 0 50 FKAA biogenic,in-vitro O=C(Nc1ccc(Cl)cc1Cl)C1[C@H]2CCC=CCCC=CCC[C@H]12 252612678 IUOVUHKJLLXHLL-NRAVZPKASA-N 364.316 6.261 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 257356549 IYAFUOCOYSUWOG-LURFLNFASA-N 374.565 5.510 0 50 FKAA Cc1ccc(NC(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)cc1 1875318222 PPIXLXKLNXJHCQ-HSZRJFAPSA-N 364.533 6.562 0 50 FKAA CCCCSc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 2222491 XAJBONKHGSHFJT-KRWDZBQOSA-N 368.593 5.547 0 50 FKAA C1=C(c2ccccc2)Oc2ccccc2[C@@]1(Cc1ccccc1)c1ccccc1 3107491 JNLJIQWEJLVXSZ-MUUNZHRXSA-N 374.483 6.649 0 50 FKAA Fc1ccccc1COc1ccc2ccccc2c1CNCc1ccccn1 6677921 MXILLRAIPMPEEK-UHFFFAOYSA-N 372.443 5.243 0 50 FKAA Brc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 38298704 ZVDWFQPJADEFJA-UHFFFAOYSA-N 369.258 5.607 0 50 FKAA COc1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 759277 OZZSEQCFIDQSRH-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA C[C@@H](SCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1140024 UDUQLHGSEXVATB-LLVKDONJSA-N 373.827 5.619 0 50 FKAA CC[C@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1 1140498 CGUCZWSMIGOMDG-ZDUSSCGKSA-N 364.297 6.089 0 50 FKAA Cc1c(Br)ccc(NC(=O)c2ccc(Cl)cc2Cl)c1C 1150307 KDPWSUODYIPZCV-UHFFFAOYSA-N 373.077 5.625 0 50 FKAA CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 1158034 PEEOJULYAAQEOX-NRFANRHFSA-N 360.482 5.488 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1Cl 1166102 TVUUNHBKFOQKGD-UHFFFAOYSA-N 351.833 5.243 0 50 FKAA c1ccc(-c2coc(-c3ccc(-c4nc(-c5ccccc5)co4)cc3)n2)cc1 2385103 PXVAVQOLTXAZRC-UHFFFAOYSA-N 364.404 6.331 0 50 FKAA Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1Cl 2970590 ZWYMWERHYCKJRI-UHFFFAOYSA-N 370.861 5.215 0 50 FKAA CC(C)C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 4582903 UHUHDVGYLSYYGD-QHCPKHFHSA-N 373.496 5.067 0 50 FKAA Cc1ccc(Oc2ncccc2CNc2cc(C)c3ccccc3n2)cn1 67726498 BWDKMJNNVNTTPV-UHFFFAOYSA-N 356.429 5.046 0 50 FKAA CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)CC1 498047545 AYFPNRLYKGMWJN-HDJSIYSDSA-N 350.399 6.984 0 50 FKAA O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F 1219428 NSAMBDTZGWIVLZ-UHFFFAOYSA-N 355.359 5.225 0 50 FKAA CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccc(Cl)c1 2454214 INBFDGLHPPZZNR-JXMROGBWSA-N 355.894 5.424 0 50 FKAA Cc1ccccc1-n1c(/C=C\c2ccccc2Cl)nc2ccccc2c1=O 4725195 RZBIUSJSHPLBNB-PFONDFGASA-N 372.855 5.518 0 50 FKAA COc1cccc2c(C)cc(NCCc3ccc(Cl)cc3Cl)nc12 5005637 YZJJHTGOYJALFV-UHFFFAOYSA-N 361.272 5.513 0 50 FKAA CC(C)(C)NC(=O)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5837912 XHUWXJWHOZMXSB-KRWDZBQOSA-N 362.300 5.214 0 50 FKAA CN(C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12)C1CCCCC1 12433457 GWWRAZBOZJDSNB-UHFFFAOYSA-N 373.909 5.121 0 50 FKAA Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 13027630 AITNDJBOFFFHIX-FXAWDEMLSA-N 366.873 5.644 0 50 FKAA c1ccc(C2=Nc3ccccc3C(c3ccccc3)=Nc3ccccc32)cc1 13477761 UQIGJMYREVNYFW-UHFFFAOYSA-N 358.444 6.338 0 50 FKAA O=C(Nc1ccc2c(c1)OCO2)N1CCCCC[C@@H]1c1ccccc1Cl 35561798 LSLPCRWQLFLVBT-QGZVFWFLSA-N 372.852 5.218 0 50 FKAA Cc1cccc2cc(CN3CCc4ncccc4C3)c(-c3cccs3)nc12 72423548 DRXHNRJTTHLTNP-UHFFFAOYSA-N 371.509 5.225 0 50 FKAA CC(C)N(CCCNC(=O)N(c1ccccc1)c1ccccc1)C(C)C 96027279 PGRRFCMFYRDMSS-UHFFFAOYSA-N 353.510 5.043 0 50 FKAA Cc1sc(C)c(C(=O)Nc2ncc(CC(C)C)s2)c1Br 2325840883 VYQVTYLJTNHOFR-UHFFFAOYSA-N 373.341 5.035 0 50 FKAA Cc1cccc2c(C(=O)NC3CCCCCC3)cc(-c3ccncc3)nc12 1068429 XPGYWAWEACEDHI-UHFFFAOYSA-N 359.473 5.058 0 50 FKAA O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCCc2ccccc21 1085431 JQEJVVVPJGTRHU-QFIPXVFZSA-N 359.494 5.499 0 50 FKAA CC[C@H](C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1 1116844 COZFNLSGCJSHLW-IBGZPJMESA-N 355.441 5.362 0 50 FKAA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c1 1117593 CIFWPDMGZSDBHG-UHFFFAOYSA-N 372.493 5.001 0 50 FKAA O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1F 2893039 KVMZJXZKTAAATN-UHFFFAOYSA-N 350.324 5.025 0 50 FKAA CCCOc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 2998200 VMFRCUPLPBMKKB-UHFFFAOYSA-N 357.759 5.400 0 50 FKAA CCOc1ccc(NC(=S)NC2CCCCCCCCCCC2)cc1 5422651 CNHZXKUWIJTSSK-UHFFFAOYSA-N 362.583 6.045 0 50 FKAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(OC)cc2)C1 5916774 PPFSGUAGQDTORR-CYBMUJFWSA-N 372.534 5.132 0 50 FKAA CCC1(CC)O[C@H]2c3cc(Cl)cc(Cl)c3OCN2c2ccccc21 6659346 QGKJTIJLEVVKSC-SFHVURJKSA-N 364.272 5.894 0 50 FKAA COc1cccc([C@H]2CCCN2Cc2c[nH]nc2-c2cc3ccccc3o2)c1 23338776 UOCWGSSXKZQOMY-HXUWFJFHSA-N 373.456 5.169 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c(Cl)c1 72139983 GJTPSINYEPHXIQ-UHFFFAOYSA-N 367.840 5.134 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2F)cc1 245238568 UPFAZVRPKZDUQP-GMAHTHKFSA-N 374.415 5.077 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@]12C 253614820 FEGCPHIPSRBREU-HIRANESSSA-N 374.565 5.283 0 50 FKAA Cc1cccc(Cl)c1-c1ccc(C(=O)N(C)CCC2(O)CCCC2)cc1 584893086 LCFPVDXOGJDEEZ-UHFFFAOYSA-N 371.908 5.083 0 50 FKAA COc1cccc(OC)c1-c1cccc2c1P(C(C)(C)C)[C@@H](C(C)C)O2 953043688 AVUPKIFOTAYCAC-GVNKFJBHSA-N 372.445 5.651 0 50 FKAA C[C@@H]1CCCCN1C(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12 1459815 YWROQOVYHJFHRK-OAHLLOKOSA-N 364.876 5.570 0 50 FKAA CC(C)(C)c1ccc(-c2nnc(S)n2-c2ccc(F)c(Cl)c2)cc1 2841210 QWQHUUCTJGOZLI-UHFFFAOYSA-N 361.873 5.313 0 50 FKAA CCCCC(C(=O)N1CC[C@H](CC)[C@@H]1C)(c1ccccc1)c1ccccc1 2325817704 OJYMDVAFVMCBQF-SFTDATJTSA-N 363.545 5.810 0 50 FKAA Cc1cc(NCCOc2ccc(Cl)c(Cl)c2)c2ccc(O)cc2n1 2325874284 GVXAAMLACFJRNZ-UHFFFAOYSA-N 363.244 5.047 0 50 FKAA CC(=O)Nc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 1155329 UFKVYZNLFFLQIJ-UHFFFAOYSA-N 360.442 5.060 0 50 FKAA CCO[P@@](=O)(c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1 1177377 ZLEKMJBLJQAMHS-BWKNWUBXSA-N 351.386 5.437 0 50 FKAA COc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 1210076 IXVQXDCPILXVQR-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)cc1 2033801 FLJCTCVDRKPLHJ-UHFFFAOYSA-N 351.453 5.798 0 50 FKAA in-vitro Cc1ccc(C(=O)c2ccccc2C(=O)c2c(C)cc(C)cc2C)c(C)c1 2173732 YVAVWMUFLVSZQP-UHFFFAOYSA-N 356.465 5.691 0 50 FKAA O=C(CSc1nc2ccccc2[nH]1)N(C1CCCCC1)C1CCCCC1 3304072 LCGTZASBYZOZSC-UHFFFAOYSA-N 371.550 5.149 0 50 FKAA Brc1ccc(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)cc1 4892724 OXRLUDAODJCVDZ-SFHVURJKSA-N 367.246 5.398 0 50 FKAA Cc1ccc(C)c(N2CCN([C@@H](C)CC(C)(C)c3ccc(C)o3)CC2)c1 5032017 BPLNQIPINUWSMA-IBGZPJMESA-N 354.538 5.083 0 50 FKAA Cn1c(CC2CCCCC2)nnc1SCc1c(Cl)cccc1Cl 13325450 LVRQELDGWUIEDH-UHFFFAOYSA-N 370.349 5.537 0 50 FKAA COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)c(OC)c1 15867109 DRZFEHUPKIIMOQ-QGZVFWFLSA-N 374.506 5.223 0 50 FKAA CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N/c1ccc(C)cc1 100917991 GNQXLKNBKQIZSJ-OCOZRVBESA-N 370.521 6.444 0 50 FKAA CCC[C@H](N[C@@H]1[C@H]2CCCCN[C@@H]21)c1ccc(Oc2ccccc2)cc1 2325822278 NYUHMUHABUFOKY-CWBXHPNXSA-N 350.506 5.050 0 50 FKAA O=C(Nc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 640623 OKYIKPYUCUWSDO-UHFFFAOYSA-N 350.805 5.215 0 50 FKAA CN(C)c1ccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 643740 JVZLAWVUBOIKNM-UHFFFAOYSA-N 371.480 5.382 0 50 FKAA O=C(Nc1ccc2ccccc2c1)c1sc2cccc(Cl)c2c1Cl 911660 YOFWGDUQRFYBCU-UHFFFAOYSA-N 372.276 6.614 0 50 FKAA CCCc1cc2c(cc1NC(=O)c1sc3ccccc3c1Cl)OCO2 1076438 FKPQTHKFMJDHKN-UHFFFAOYSA-N 373.861 5.488 0 50 FKAA COc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ccc3o2)cc1 1182423 ABCVEEKPFOPHFB-UHFFFAOYSA-N 350.418 5.022 0 50 FKAA c1ccc(N2CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1 1866635 IISXJCNRUSFNIM-UHFFFAOYSA-N 369.512 5.007 0 50 FKAA Clc1ccc([C@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 2998435 OHCIKJXWWBCPOF-LJQANCHMSA-N 350.874 6.098 0 50 FKAA CC(=O)Oc1cccc2ccc(/C=C/c3ccc(Br)s3)nc12 4906781 CFGQALDLMWQOAH-BQYQJAHWSA-N 374.259 5.155 0 50 FKAA O=C(/C=C/c1cccc2ccccc12)Nc1ccc(Oc2ccccc2)cc1 5737677 VUIDCPIZGAFJJJ-QGOAFFKASA-N 365.432 6.284 0 50 FKAA Cc1cc(C)cc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)c1 8571146 SQGFHSPWNJKLSA-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA CC(C)COc1cccc(CN(C(=O)c2ccc3ccccc3n2)C2CC2)c1 14987382 HLDVOGREYBNBLT-UHFFFAOYSA-N 374.484 5.074 0 50 FKAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)c1 100953023 AFJHATDFMRTLJK-DLPLYFIVSA-N 363.457 5.021 0 50 FKAA Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@H]2[C@@H]3c2ccccc2)cc1 254757140 ANMYJSNMBSBREG-CAQDGQBVSA-N 358.872 5.575 0 50 FKAA Clc1ccc(Oc2ccc(NCc3cccc4c3OCO4)cc2)cc1 2325759417 PIJODTUNYQSJAG-UHFFFAOYSA-N 353.805 5.473 0 50 FKAA CCn1c2cc(Br)ccc2c2cccc(Br)c21 2173265 QRIMAWAWZIOGRX-UHFFFAOYSA-N 353.057 5.339 0 50 FKAA O=C(Nc1ccc(OC(F)(F)F)cc1)C(c1ccccc1)c1ccccc1 2578327 UOUDRWOHTSRSGD-UHFFFAOYSA-N 371.358 5.356 0 50 FKAA Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1 4030663 NTHVRFBJCARCTA-NRFANRHFSA-N 367.279 6.349 0 50 FKAA C/C=C/c1ccc(OCCCCn2cnc3cc(C)c(C)cc32)c(OC)c1 4759469 WROPNUTWQKGIET-VMPITWQZSA-N 364.489 5.554 0 50 FKAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)cc1 12308079 SRTVJQJJEAWPCS-QFIPXVFZSA-N 373.500 5.075 0 50 FKAA Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 13809899 XBUHUSQHVDHOTG-FXAWDEMLSA-N 350.805 5.175 0 50 FKAA C(=C/c1ccccc1)\CN1CCN(C2c3ccccc3-c3ccccc32)CC1 19313160 RDNHEFWZOKNXKM-DHZHZOJOSA-N 366.508 5.087 0 50 FKAA COC(=O)c1ccccc1N[C@@H]1O[C@@]2(C)CCCC(C)(C)[C@@H]2CC1(C)C 22017438 PQVLDRKTOORATP-KPLVRAHFSA-N 359.510 5.243 0 50 FKAA C[C@@H]1CC[C@@H](C)P1C1=C(P2[C@H](C)CC[C@H]2C)C(F)(F)C1(F)F 71769606 SMOALKOHMYYEBA-DDHJBXDOSA-N 354.308 6.588 0 50 FKAA Cc1ccc2[nH]c(C(=O)N(Cc3ccccn3)C3CCCCC3)c(C)c2c1 91871755 MMXXOXNKGFAMSV-UHFFFAOYSA-N 361.489 5.155 0 50 FKAA C[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)[C@@H]2CCCC[C@@H]12 229632542 JFHQWHIMTAPJKK-AYOQOUSVSA-N 372.509 5.074 0 50 FKAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc(F)c4)c3)nc2c1 670055 NNCNKJVXUZAGDS-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA CC1=CC(C)(C)Nc2ccc(OC(=O)Cc3cccc4ccccc34)cc21 822812 RVPITWYQVQMALJ-UHFFFAOYSA-N 357.453 5.595 0 50 FKAA CC(=O)c1c(Sc2ccc(Br)cc2)nc2ccccc2c1C 1387843 CADCXVQBZRPVCU-UHFFFAOYSA-N 372.287 5.660 0 50 FKAA CSc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 2841236 DJLZKVHZDBMJDO-OAQYLSRUSA-N 365.473 5.974 0 50 FKAA CCc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 4682341 KQZVKKJUGTVTOA-UHFFFAOYSA-N 358.652 5.227 0 50 FKAA COc1cc(C)c(NC(=O)c2cc(SC)ccc2Cl)cc1C(C)C 4842890 QUGLRFWDROJBCS-UHFFFAOYSA-N 363.910 5.755 0 50 FKAA C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12)SCCS3 5276517 YNVILHLADMIWHU-XHHHBCLVSA-N 350.637 6.596 0 50 FKAA CC[C@H](c1ccc2c(Br)c(OC)ccc2c1)C(C)(C)C(=O)O 71770784 KNFVNPNECVBQGJ-CQSZACIVSA-N 365.267 5.215 0 50 FKAA C[C@@H](O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 86032898 OMWLYFDUQMJPOS-GOSISDBHSA-N 371.480 5.577 0 50 FKAA in-vitro CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C 257348859 JKMWTLBCBAHXAC-UTNQIMTRSA-N 374.653 7.079 0 50 FKAA Fc1ccc([C@@H]2CCCCN2c2nc3cc(F)c(F)cc3s2)c(F)c1 1875307697 RYCKEOXOGNLYPW-INIZCTEOSA-N 366.383 5.584 0 50 FKAA Cc1ccc(-c2cccc(CN[C@H](c3ccccc3)[C@H](O)C(C)C)c2)cc1 1875317281 TVTIQGVFIVPUOI-JWQCQUIFSA-N 359.513 5.510 0 50 FKAA C[C@@H](NCCCN(C)c1ccccc1)c1cc(Cl)ccc1OC(F)F 1875330779 ZNDSWGBXWNGAAD-CQSZACIVSA-N 368.855 5.119 0 50 FKAA Cc1cc(C(=O)Nc2ccccc2NC(C)(C)C)c2c(c1)[C@@H](C)CCN2 2325842430 XWECOGLNSKZZDX-HNNXBMFYSA-N 351.494 5.377 0 50 FKAA O=C(Nc1ccccc1)Oc1ccc(-c2ccc(Br)cc2)cc1 633200 CWJNICLIKLAUCH-UHFFFAOYSA-N 368.230 5.727 0 50 FKAA CC(C)(C)c1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc(C(C)(C)C)c1 2813352 YKTMYOXHJCKYBO-LJQANCHMSA-N 363.545 5.911 0 50 FKAA O=C(/C=C/c1cccs1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 12041962 YGPFHJZRRUFSMJ-OUKQBFOZSA-N 367.514 5.131 0 50 FKAA CCCCCC[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320462 YWDIEMAKUVOZQS-LLVKDONJSA-N 350.812 5.839 0 50 FKAA C[C@@H]1CCC[C@@H](C)N1CCCCC(O)(c1ccccc1)c1ccccc1 29551814 KUFREUPVXVHBCT-NHCUHLMSSA-N 351.534 5.356 0 50 FKAA CN(CC(C)(C)C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72440545 ZBBGAOIGZWAMKW-UHFFFAOYSA-N 354.881 5.606 0 50 FKAA CC(C)(CCOCc1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2 257355248 ZHIWNDDZLBTMEB-UHFFFAOYSA-N 357.497 6.055 0 50 FKAA CCC[C@H](Nc1cnn(CC(C)C)c1)c1ccc(Oc2ccccc2)cc1 2325822283 NYULRURRKDOHCN-QHCPKHFHSA-N 363.505 6.285 0 50 FKAA COc1ccc([C@@H](NC(=O)[C@@H](c2ccccc2)C(C)C)c2ccccc2)cc1 633214 MMYNWUYBPRBIRS-RPWUZVMVSA-N 373.496 5.341 0 50 FKAA COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccc(C)o3)c2)cc1 850916 CWSFTTURXIOMSM-UHFFFAOYSA-N 371.436 6.001 0 50 FKAA Cc1ccc(CNC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 995265 YELLXIMIPLFMON-UHFFFAOYSA-N 366.464 5.449 0 50 FKAA COc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccs4)c3)nc2c1 1065348 YSSBYHYEDVDGDI-UHFFFAOYSA-N 364.426 5.126 0 50 FKAA CC(C)Oc1ccc([C@@H](CC(=O)N2CCCCC2)c2ccccc2)cc1 1121071 CMAIZDJRASESOL-QFIPXVFZSA-N 351.490 5.008 0 50 FKAA biogenic COc1cccc(-c2coc3c(C)c4oc(=O)c5c(c4cc23)CCCC5)c1 1155922 PFRCPEOHSHJXSX-UHFFFAOYSA-N 360.409 5.402 0 50 FKAA biogenic O=C1OC(c2cccs2)=N/C1=C\c1ccc(-c2ccccc2Cl)o1 1193473 GTCAKQNIVOITLD-UVTDQMKNSA-N 355.802 5.006 0 50 FKAA aggregator Cc1occc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2757234 GHMGLYRJASRKTH-UHFFFAOYSA-N 353.230 5.271 0 50 FKAA CCCCc1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1 2984599 PINPMGRWUFLYPU-UHFFFAOYSA-N 362.267 5.053 0 50 FKAA Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)cc1 3900800 RTIDSCZYDHHMNK-LJQANCHMSA-N 352.865 5.544 0 50 FKAA COc1ccccc1[C@@H]1CN(c2ccc(Cl)cc2)N=C1c1cccs1 4020942 YQHVZAPGOAKEMR-KRWDZBQOSA-N 368.889 5.418 0 50 FKAA Cc1ccc(C(C)C)c(OCC(=O)NC2CCCCCCCCCCC2)c1 4036942 QCJOGVHPHMDNJT-UHFFFAOYSA-N 373.581 6.287 0 50 FKAA O=C(O)c1cc(-c2ccccc2Cl)nc2ccc(Br)cc12 4241467 MSJQBZXALAXXAN-UHFFFAOYSA-N 362.610 5.016 0 50 FKAA Oc1ccccc1-c1nc(/C=C/c2ccc(Cl)cc2)nn1-c1ccccc1 5059541 SRUAPPSVDABXAX-NTCAYCPXSA-N 373.843 5.464 0 50 FKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(Cl)(Cl)Cl 5068626 DVHMWRJNHYMKQX-UHFFFAOYSA-N 369.635 5.112 0 50 FKAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2sccc2C)n1 19223759 CLZZDFZWLFBNQN-QHCPKHFHSA-N 373.525 5.389 0 50 FKAA COc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccco4)nc32)cc1 20604674 VDJKZISRCBTJBD-UHFFFAOYSA-N 373.334 5.016 0 50 FKAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N(c1ccccc1)c1ccccc1 181988516 CCHNWQFFISRSJN-NRFANRHFSA-N 374.488 5.132 0 50 FKAA Cc1cc(-c2ccc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc2)cs1 584885860 BHJFDRZMDGZGGG-OAQYLSRUSA-N 362.498 5.486 0 50 FKAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 682474 UAQIFXLWMZCTSM-UHFFFAOYSA-N 358.290 5.092 0 50 FKAA O=C(/C=C/c1cccs1)Nc1ncc(Cc2cccc(Cl)c2)s1 945448 GKEHEZYBEIWRSC-VOTSOKGWSA-N 360.891 5.101 0 50 FKAA CCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 2036544 RSEPBGGWRJCQGY-IIDPUWFRSA-N 356.506 5.350 0 50 FKAA biogenic CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccccc3)ccc21 2061723 XFOPMBWNWDGTCG-INIZCTEOSA-N 358.441 5.220 0 50 FKAA aggregator Cc1ccc(C)c(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c1 4972037 YTASKLDJTLEWHG-UHFFFAOYSA-N 369.420 5.329 0 50 FKAA COc1ccccc1-c1c(C)nn2c(N[C@@H](C)c3ccccc3)cc(C)nc12 5346035 CYEMDGVCPCKPNE-INIZCTEOSA-N 372.472 5.195 0 50 FKAA Cc1ccsc1CN(Cc1cc(-c2cccnc2)no1)C1CCCC1 1506401071 MCPCRCQXZMMUAL-UHFFFAOYSA-N 353.491 5.051 0 50 FKAA Cc1ccccc1-n1cc(-c2ccccc2)c2c(NCC(C)C)ncnc21 1857800102 QXUFAQVWAGIJQI-UHFFFAOYSA-N 356.473 5.464 0 50 FKAA CCCc1nc(NC(=O)[C@]23CCC[C@@H]2CC(F)(F)CC3)sc1CC 1875357177 WCUWAPPKEQBCFG-PXAZEXFGSA-N 356.482 5.202 0 50 FKAA Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)c1C 641769 PZHYHVNPPKFSLJ-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA CCCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 1768243 GVDJFWNBMMILTD-UHFFFAOYSA-N 368.385 5.128 0 50 FKAA CC(C)(C)c1cc(C(=O)Nc2cccc3ccccc23)cc(C(C)(C)C)c1 2023125 OVMWRDAOBVYYQK-UHFFFAOYSA-N 359.513 6.687 0 50 FKAA CC[C@@H](C)c1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1 2534682 APPOGSHEZKJWAJ-WEKMIXOTSA-N 358.279 5.615 0 50 FKAA CCSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2854642 PRSOWTBZHBTSHG-UHFFFAOYSA-N 363.482 5.630 0 50 FKAA c1ccc(C2(c3ccccc3)O[C@@H](c3ccccn3)Nc3ccccc32)cc1 4183956 JAMSIXIAJMHHSN-DEOSSOPVSA-N 364.448 5.514 0 50 FKAA COc1cc(Br)cc(/C=C/c2ccc3ccccc3n2)c1OC 5065630 JGWMJVJPKOQHFV-CSKARUKUSA-N 370.246 5.185 0 50 FKAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3nccc4ccccc34)C2)cc1 11873564 KUGFCNNBENIBPR-NRFANRHFSA-N 373.500 5.075 0 50 FKAA Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)cc1C 17076004 GOCTVZOIDSJIEV-UHFFFAOYSA-N 370.543 5.386 0 50 FKAA CCOP(=O)(CCCCCCCP(=O)(OCC)OCC)OCC 96308250 CYRFVVLQCVAMPM-UHFFFAOYSA-N 372.379 5.469 0 50 FKAA CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1 148405497 IBFAIOMGVHPWRQ-CALCHBBNSA-N 358.472 7.104 0 50 FKAA Cc1cccc(C(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccsc2)c1 170618214 NSNAWHYLTXLJSG-GOSISDBHSA-N 352.484 5.110 0 50 FKAA Clc1cc(Br)cc2c1[nH]c1ccc(Br)cc12 1904270229 YQQSEJWPKDJYSU-UHFFFAOYSA-N 359.448 5.500 0 50 FKAA Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Br 636930 SLVUHFNTVQHTRA-UHFFFAOYSA-N 374.065 5.708 0 50 FKAA Nc1c(C(=O)c2ccccc2)sc2nc(C3CC3)cc(-c3ccco3)c12 755265 XTQGQFKVZTUMME-UHFFFAOYSA-N 360.438 5.247 0 50 FKAA COc1ccccc1NC(=O)c1cc(-c2ccccc2C)nc2ccccc12 997088 NGCXDXYLYHVFJA-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(C)C)cc1 1045123 WRQYTVUHKWFTAU-UHFFFAOYSA-N 354.837 5.679 0 50 FKAA in-vitro CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 1168725 XDUFQZONFKHCMN-LBPRGKRZSA-N 352.261 5.523 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2)nc1-c1ccc(C)c(C)c1 1184152 KPUJFXBCSLNWRM-UHFFFAOYSA-N 350.487 5.632 0 50 FKAA CCOc1ccc(Nc2nc([C@@]3(C)C[C@@H](CC(C)C)C(=O)O3)cs2)cc1 2979755 QDLPUUJKFFWQIR-JLTOFOAXSA-N 374.506 5.110 0 50 FKAA COc1ccc(Cl)cc1CNc1ccc(NC(=O)c2ccccc2)cc1 4865944 NFDUMHXDXUFHNO-UHFFFAOYSA-N 366.848 5.213 0 50 FKAA COc1cc(Cl)c(/C=C/c2ccc3cccc(OC)c3n2)cc1OC 5013640 CVERWQKYGLMSOT-CSKARUKUSA-N 355.821 5.084 0 50 FKAA O=C(C[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 5344488 SGCUTLVWIPUSFL-GFCCVEGCSA-N 357.620 5.088 0 50 FKAA Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CCCC[C@H]3C)c2c1 6789014 JJELUYOQHFQGIN-LJQANCHMSA-N 372.512 5.842 0 50 FKAA COc1cc(-c2ccc(C)cc2)cc2c1OCCN(Cc1cccs1)C2 55344663 MOKDRZVNYNBXOC-UHFFFAOYSA-N 365.498 5.127 0 50 FKAA C[C@@H](Nc1ccccc1OCC(F)F)c1nc2ccccc2n1C(F)F 170666580 LSPCDLYLQKPSPY-LLVKDONJSA-N 367.346 5.248 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)cc1 245312306 TWFRILUTZSKQGL-GMAHTHKFSA-N 374.415 5.077 0 50 FKAA CC(C)CCCOCc1nnc(COc2ccccc2-c2ccccc2)o1 1875361309 XAXLDVFMKVKDGD-UHFFFAOYSA-N 366.461 5.268 0 50 FKAA COCc1ccccc1/C=C(\C)CN[C@@H](CC(C)C)c1ccccc1C 2325841113 DDSZEJHBENNFLA-KOZCBZIKSA-N 351.534 5.922 0 50 FKAA CCOc1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 628279 DKFSQTPAVWCISS-UHFFFAOYSA-N 370.301 5.264 0 50 FKAA Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCCC4)ncnc32)cc1 1454781 SFDYKCSPUBNYFR-UHFFFAOYSA-N 368.484 5.386 0 50 FKAA Cc1cccc(C(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)c1 4868110 GCVOMTUFBOVKOJ-UHFFFAOYSA-N 369.468 5.262 0 50 FKAA CCCN(Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC)CC1CC1 5032005 WIEUDOVDDRRZHY-UHFFFAOYSA-N 363.501 6.039 0 50 FKAA CCCCOc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1 6042749 PVHARPPMEZZSJE-UHFFFAOYSA-N 355.821 5.432 0 50 FKAA O=C(CCC1CCN(C[C@H]2CC=CCC2)CC1)Nc1ccccc1Cl 12593574 KJRLHBDKFOXWAP-SFHVURJKSA-N 360.929 5.127 0 50 FKAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccc(F)c3F)C2)c1 15005670 BCXOZJPABOAVMA-SFHVURJKSA-N 367.443 5.043 0 50 FKAA C[C@@H]1CCO[P@](=O)([C@@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)O1 15635822 HYYAJLCSNVTTHM-GPCNDRGHSA-N 367.769 5.175 0 50 FKAA C[C@@]12CC3CC(C(=O)Nc4cc(Cl)ccc4Cl)(C1)C[C@](C)(C3)C2 15746335 JGWUPSJJJAZNTM-CMXJYWLISA-N 352.305 5.929 0 50 FKAA CCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CC)cc3)cc2)cc1 753293 OPANTEJQCIHBCA-UHFFFAOYSA-N 372.468 5.316 0 50 FKAA CC(C(=O)N1CC[C@@H](c2ccccc2)C1)(c1ccccc1)c1ccccc1 1150504 FILZAPZENIYSJI-OAQYLSRUSA-N 355.481 5.009 0 50 FKAA Cc1cccc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)c1C 1214310 WTNCUWLMUURQTC-HNHZEOAVSA-N 367.492 5.929 0 50 FKAA O=C(c1ccccc1)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 4006681 DEUXDMASUHISCH-UHFFFAOYSA-N 359.469 5.073 0 50 FKAA COc1cccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)c1OC(C)C 4488806 SOQKAENJHOPTQY-IBGZPJMESA-N 361.441 5.110 0 50 FKAA CC(C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542170 XSGTVPGSQXJHPL-WYMLVPIESA-N 365.860 6.375 0 50 FKAA CCCCC(=O)N(c1ccccc1)c1nc2c(s1)COc1ccccc1-2 4809054 ODDUIANVJDGKGA-UHFFFAOYSA-N 364.470 5.557 0 50 FKAA O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccccc3F)nc2c1 4854346 UPOWXPMQTPOJEN-RAXLEYEMSA-N 358.372 5.286 0 50 FKAA C[C@H](CSc1ccccc1)NCCC(c1ccccc1)c1ccccc1 44519931 CXNOCTNDPSGIJB-HXUWFJFHSA-N 361.554 5.979 0 50 FKAA COc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 64984528 VQEXTWXMCYDFDE-IBGZPJMESA-N 358.869 5.498 0 50 FKAA C/C(O)=C\[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 102278027 SABGTQFUQWAQDU-HOGDGFLFSA-N 354.837 5.062 0 50 FKAA Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 727131 AYVZYQGMKIOPRW-UHFFFAOYSA-N 364.257 5.073 0 50 FKAA O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1Br 752613 RKEKWRUJDZLBCJ-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 756351 HTAJSOXGEBLEAZ-GCJKJVERSA-N 356.469 5.208 0 50 FKAA Cc1ccc(Nc2nnc(-c3cc4cc(Cl)ccc4oc3=O)s2)cc1 856272 KGOZKZCITWNNKD-UHFFFAOYSA-N 369.833 5.017 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2cccc(C)c2C)c2ccccc2)cc1 1138861 PUYVXVYGNHIXQV-CJLVFECKSA-N 357.453 5.491 0 50 FKAA O=C(Nc1ccc(F)c(F)c1)c1ccc(CSc2ccccc2)cc1 2855745 NCSZMPQPGGTULO-UHFFFAOYSA-N 355.409 5.509 0 50 FKAA CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC(C)=O 5214193 KCGVVIOWBKBHRM-UHFFFAOYSA-N 364.441 5.508 0 50 FKAA CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1)O2 6048370 IODXJYTUOGPLCA-VWNXMTODSA-N 370.452 5.328 0 50 FKAA Cc1ccsc1-c1nc(CN2CCCC[C@H]2c2ccccn2)c(C)o1 12435597 FWUGDUVNVXXZHT-SFHVURJKSA-N 353.491 5.142 0 50 FKAA Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 13382000 KXPFYQBZZONEAF-FYYLOGMGSA-N 358.416 5.376 0 50 FKAA Cc1ccc(-c2nsc(NC(=O)c3oc4ccc(F)cc4c3C)n2)s1 21806064 SKZYSBPPIVYUKX-UHFFFAOYSA-N 373.434 5.021 0 50 FKAA Fc1ccc(N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 135926044 FPJATBKJKFZJHN-QGZVFWFLSA-N 359.242 5.559 0 50 FKAA CCc1ccc(-c2nc(SCC(=O)c3ccc4ccccc4c3)n[nH]2)cc1 138652914 KWWVAJCNHDEVMU-UHFFFAOYSA-N 373.481 5.162 0 50 FKAA CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCCOC(CO)CO 299888278 CUJUUWXZAQHCNC-BHVWNTRMSA-N 364.570 5.502 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)C(c1ccccc1)c1ccccc1 861930 LYSIYIYYMRSXKW-UHFFFAOYSA-N 355.359 5.476 0 50 FKAA CCOC(=O)c1ccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1 1112778 CKTMMZPVWAILRL-JOCHJYFZSA-N 373.452 5.290 0 50 FKAA COc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 1167246 PLNAFHXCMFRBIY-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA CCCCc1cc(=O)oc2c(C)c(OCc3ccccc3OC)ccc12 2126589 HILCJLHJSKSARE-UHFFFAOYSA-N 352.430 5.032 0 50 FKAA biogenic O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 2149777 BSILAEQTGTZMIW-UHFFFAOYSA-N 366.416 6.502 0 50 FKAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CCc1ccccc1 2873838 IPOGIFUPWRIXKJ-UHFFFAOYSA-N 355.441 5.110 0 50 FKAA COc1ccccc1/C=C/CN(CCc1ccccc1)Cc1ccccc1 4988414 LXBZLAYQMZMIQH-MHWRWJLKSA-N 357.497 5.453 0 50 FKAA CC[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 13328988 HNTNSPIGVYUOEW-OAHLLOKOSA-N 356.775 5.632 0 50 FKAA COc1ccc(CN(C(=O)CC2CCCC2)C2CCCC2)cc1OC(C)C 14951191 FMBUJPNPSXQHAI-UHFFFAOYSA-N 373.537 5.334 0 50 FKAA CCC[C@@H](F)Cn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 95705041 GKGOOBXNSBWSAR-GOSISDBHSA-N 373.471 6.472 0 50 FKAA in-vitro C[C@]12CCC[C@@H]1[C@H]1CC=C3C[C@@H](OC(=O)C(F)(F)F)CC[C@]3(C)[C@@H]1CC2 254752743 OGQQARADPATKJB-JLJUJHICSA-N 370.455 5.813 0 50 FKAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 656089 HXMNUIAJXPUSFS-SNVBAGLBSA-N 358.652 5.361 0 50 FKAA O=C(Nc1cccc2ccccc12)C1c2ccccc2Oc2ccccc21 673136 FIMKHQTYVTUKQC-UHFFFAOYSA-N 351.405 5.716 0 50 FKAA O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 843692 WCCZYWZCNWRQTI-VQHVLOKHSA-N 364.788 5.393 0 50 FKAA Cc1csc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 986814 AWMRTMAWOOHNGZ-UHFFFAOYSA-N 353.230 5.271 0 50 FKAA S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 1016708 MJTDUHQGFMMCRU-HNNXBMFYSA-N 369.540 5.358 0 50 FKAA Cc1ccc(C)c(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 1831844 COYBVCQXTVEDFF-UHFFFAOYSA-N 365.889 6.372 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccccc1Cl 2893385 BIIJXKUJOJVLGE-UHFFFAOYSA-N 360.624 5.274 0 50 FKAA O=C(O)c1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 2999270 XPZDEPHYTUELIJ-UHFFFAOYSA-N 352.440 5.232 0 50 FKAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Br)cc1F 5064349 PTMXZAGQUUBGOW-UHFFFAOYSA-N 366.274 5.133 0 50 FKAA CCCC[C@@H](OP(C)(=O)O[C@H](CCCC)C(F)(F)F)C(F)(F)F 22203627 GUVAZSHDCUMVMJ-GHMZBOCLSA-N 372.286 6.085 0 50 FKAA CC(C)Cc1ccc(-c2cc(C(=O)O)n(-c3ccc(F)c(Cl)c3)n2)cc1 25763923 VCZCFRRBQXGYIO-UHFFFAOYSA-N 372.827 5.229 0 50 FKAA CCCCC[C@@](C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[Si](C)(C)C 169831412 CBXVTRLZUWSAEM-HDAAZOAOSA-N 354.651 6.669 0 50 FKAA CCOC1CCN(C(=O)Nc2ccc3oc(-c4ccccc4)cc3c2)CC1 299801231 WZVOSXOOTNCSLQ-UHFFFAOYSA-N 364.445 5.133 0 50 FKAA CC(C)(C)c1nc(=Nc2ccc(Cl)cc2)sn1C=C(Cl)Cl 334157147 GTXYUAPOLZLYDI-UHFFFAOYSA-N 362.713 5.361 0 50 FKAA Cc1ccc(-c2cn3nc(-c4ccc(Br)cc4)sc3n2)cc1 639501 XDQWWWMRVQWYGU-UHFFFAOYSA-N 370.275 5.196 0 50 FKAA O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 640481 HBTPVYGPYRHKEV-UHFFFAOYSA-N 350.849 5.574 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)s1 668710 XWQWUKOSIIPSJJ-UHFFFAOYSA-N 374.259 5.555 0 50 FKAA Cc1cc(NC(=O)[C@H](C)SCc2ccccc2)ccc1Br 1069065 WGXYUAJAAJPKMU-ZDUSSCGKSA-N 364.308 5.018 0 50 FKAA O=C1C[C@@H](c2cc(Br)ccc2F)c2ccc3ccccc3c2N1 1082749 WMTOFNVONAWHJX-OAHLLOKOSA-N 370.221 5.216 0 50 FKAA CCc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1886741 FRQWXNBFFIOOSV-UHFFFAOYSA-N 352.261 5.354 0 50 FKAA COc1ccc(Br)c(/C=C/c2ccc3cccc(OC)c3n2)c1 4998389 PKLAUUSXBDZXBN-VQHVLOKHSA-N 370.246 5.185 0 50 FKAA CC1=CC[C@H](CC2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)C1(C)C 15240719 LHBVLPNXCWOXKA-JOCHJYFZSA-N 374.572 6.339 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@H]3CC[C@H]2C1 17355248 GBSGMSKNTLPLQF-MMHYWOHCSA-N 356.506 5.006 0 50 FKAA COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1Cl 36620965 MJDMRTZKBXUJLL-KRWDZBQOSA-N 374.868 5.035 0 50 FKAA C(=C/c1cc2c(c3ccccc13)CCC2)\c1ccc2ccc3c(c2c1)CCC3 71787015 PMTFDPWPDMCNLB-WYMLVPIESA-N 360.500 7.141 0 50 FKAA O=C(Nc1cccc(Br)c1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 252617541 KVFSWFSBUJJKAD-BWTSREIZSA-N 374.322 5.716 0 50 FKAA CCN(CC)c1cc(C)c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)ccc2n1 1775953542 PHNMAUWYEMWSDZ-JCNLHEQBSA-N 353.510 5.154 0 50 FKAA FC(F)[C@@H]1C[C@H]1c1nc(-c2cc3ccccc3cn2)nn1C1CCCCC1 1875340551 HVBQAZIZKCGQOM-IAGOWNOFSA-N 368.431 5.367 0 50 FKAA CC(C)C1CCC([C@@](C)(O)CNC[C@@]2(C)CCCc3ccccc32)CC1 2325842169 QAGKNAVSUUJVJE-TXKRZNJISA-N 357.582 5.084 0 50 FKAA Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2ccccc12 1122446 CKHZGXMSJZFZKP-UHFFFAOYSA-N 355.437 5.584 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccc2F)no1 1128876 BAPLQBFBJSUMNV-UHFFFAOYSA-N 355.756 5.160 0 50 FKAA CCOc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 1178553 QHSAHSGNKUCWNV-UHFFFAOYSA-N 363.482 5.630 0 50 FKAA Cc1c(C)n(C(=O)CSc2nc3ccccc3s2)c2ccccc12 1299368 WWJCFQXNJMCYHJ-UHFFFAOYSA-N 352.484 5.300 0 50 FKAA CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2)C1 2558441 XOSXEQXGZGALIS-NSHDSACASA-N 362.926 5.387 0 50 FKAA O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccco1 2819450 RQEQQYFYDHKYTE-UHFFFAOYSA-N 374.730 5.272 0 50 FKAA CCOc1ccccc1OCCCCOc1cccc2ccc(C)nc12 2821795 NDHBRJKAOSLRRJ-UHFFFAOYSA-N 351.446 5.180 0 50 FKAA O=C(Nc1cccc2c1CCCC2)c1cc(Br)ccc1Cl 2850423 YIWBGANVILZVNP-UHFFFAOYSA-N 364.670 5.234 0 50 FKAA CCOc1ccc([C@H](Nc2ccccc2)[P@]2(=O)OCC[C@H](C)O2)cc1 3877408 ALKPVMODDDUWSR-OKDKDVNESA-N 361.378 5.215 0 50 FKAA CSc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc(C)cc2)cc1 3911611 DUVCPIPUGOCUGE-UHFFFAOYSA-N 359.498 6.084 0 50 FKAA CN(C(=O)Nc1cc(F)c(F)cc1Cl)C12CC3CC(CC(C3)C1)C2 4018002 OCXRZJYYWUCJLN-UHFFFAOYSA-N 354.828 5.051 0 50 FKAA O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1cccc(Cl)c1 4543181 DKYOVUOVLLKHDE-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1OC 4894552 WSYOLOOCSUNSRK-UHFFFAOYSA-N 368.477 5.200 0 50 FKAA S=C(Nc1ccc2c(c1)oc1ccccc12)Nc1cccc2ccccc12 5060466 SKGABJSNMZQKIB-UHFFFAOYSA-N 368.461 6.548 0 50 FKAA CC(=O)Oc1ccc(-c2csc(Nc3ccc(C)c(Cl)c3)n2)cc1 5065009 KPTFRBLMSFSISU-UHFFFAOYSA-N 358.850 5.441 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCN1C(=O)C=CC1=O 27645447 GZNZRHSGGQUYAP-DOFZRALJSA-N 369.549 6.057 0 50 FKAA in-vivo Cc1nn2c(c1-c1ccccc1)NC(c1ccccc1)=C[C@H]2c1ccccc1 100161997 WZPKTTMLVDLESB-QHCPKHFHSA-N 363.464 5.915 0 50 FKAA C/C(O)=C\[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 102278042 SABGTQFUQWAQDU-ZLQXRBMWSA-N 354.837 5.062 0 50 FKAA CC(C)Sc1ccccc1NC(=O)N1CCCC[C@H]1c1ccccn1 299778425 OXERXEBZVUQYHT-SFHVURJKSA-N 355.507 5.341 0 50 FKAA CC(C)Cc1ccc([C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C(C)C)cc1 1875318851 XAVXCKKRLTYNKN-QFIPXVFZSA-N 352.522 5.219 0 50 FKAA CC1(C)CCC[C@@H]([C@@](C)(O)CNC(=O)CC2CCC3(CCCC3)CC2)C1 2325817587 DEZIJZLLTCNUQY-KNQAVFIVSA-N 363.586 5.211 0 50 FKAA Cc1ccc(-c2nc3ccccc3c(C(=O)NCc3cccs3)c2C)cc1 671906 VONITRSXXQNDMH-UHFFFAOYSA-N 372.493 5.510 0 50 FKAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(C(C)C)cc1 1167678 IWNOUNKMFZTGPF-UHFFFAOYSA-N 352.261 5.443 0 50 FKAA O=C(/C=C/c1ccc(F)cc1)Nc1ncc(Cc2cccc(Cl)c2)s1 1221110 OTKRHPYETUCWNN-RMKNXTFCSA-N 372.852 5.178 0 50 FKAA O=C(CSc1nnc(SC2CCCC2)s1)c1ccc(Cl)cc1 1392747 MBABWNJCWPSEDF-UHFFFAOYSA-N 370.952 5.201 0 50 FKAA CCCc1ccc(OCc2ccc(C(=O)OC3CCCCC3)o2)c(OC)c1 2750638 RHIJUHJTPMVICM-UHFFFAOYSA-N 372.461 5.309 0 50 FKAA Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3C[C@@H]3C)c2C(=O)OC(C)C)cc1 2789016 JCGCDRHPIWKNTP-BBRMVZONSA-N 371.502 5.192 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2C)cc1 5756381 NXOQQTKBXDGCHE-UPVQGACJSA-N 370.452 5.246 0 50 FKAA O=C(c1cccc(Cl)c1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 11840150 UCTVMXHZAXYVMA-UHFFFAOYSA-N 369.892 5.324 0 50 FKAA Cc1ccsc1-c1nc(CN2CCCC[C@@H]2c2ccccn2)c(C)o1 12435595 FWUGDUVNVXXZHT-GOSISDBHSA-N 353.491 5.142 0 50 FKAA O=C(c1ccc(-c2ccc3ccccc3c2)nc1)c1ccc2ccccc2c1 12961473 MPSKXXBEOPVXCK-UHFFFAOYSA-N 359.428 6.286 0 50 FKAA NCCP1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1 43199406 PXDLCEFIOZLJLW-UHFFFAOYSA-N 355.421 6.114 0 50 FKAA CN(C(=O)CCc1c[nH]c2ccccc12)c1nc2c(Cl)cccc2s1 170617650 IRQINMYOEGEASK-UHFFFAOYSA-N 369.877 5.027 0 50 FKAA CC(=O)OCCO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 257348893 JTBQFWLJEIHPGJ-XVGQKIRDSA-N 362.554 5.368 0 50 FKAA O=C(OCC(F)(F)F)c1cccc(COc2ccc3ccccc3c2)c1 672778 CLUPORXXUBNDNO-UHFFFAOYSA-N 360.331 5.138 0 50 FKAA CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1Br 817505 CXPSWPRKCDIQST-UHFFFAOYSA-N 368.658 5.062 0 50 FKAA COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1Cl 1121028 QXEDUYWJHVTHAS-UHFFFAOYSA-N 365.860 5.509 0 50 FKAA CC(=O)Nc1ccc(-c2csc(Nc3cc(Cl)ccc3C)n2)cc1 1123223 BAKSYITUMSUPEF-UHFFFAOYSA-N 357.866 5.474 0 50 FKAA O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cccc(F)c1 1186220 NHJJNOQFCJTJDB-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA CCOc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 2986296 NEGDODFROUJLRH-UHFFFAOYSA-N 373.452 5.354 0 50 FKAA O[C@H](c1ccc(Cl)cc1)c1c[nH]cc1-c1c(Cl)cccc1Cl 3105610 KSYUSLOIKPMDOJ-QGZVFWFLSA-N 352.648 5.724 0 50 FKAA COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 3382457 KDBLAGXZALNGIX-VIFPVBQESA-N 374.651 5.061 0 50 FKAA CSc1ccc(Cl)c(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 4842691 DLUURESGGRIZCW-UHFFFAOYSA-N 368.889 5.300 0 50 FKAA Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21 13961015 FVTVCYBILBSUOD-UHFFFAOYSA-N 373.422 5.829 0 50 FKAA CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCc1ccccc1 19791787 RACOLSVASGYWCP-UHFFFAOYSA-N 368.864 5.028 0 50 FKAA C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]1(C)[C@H]2C 257349781 RCUTXCNUFHNHOK-RPMHQFCLSA-N 374.565 5.078 0 50 FKAA FC(F)(F)c1cnc(-c2csc(NC3CCCCC3)n2)c(Cl)c1 263640021 TVCJEBMHPUCTFV-UHFFFAOYSA-N 361.820 5.622 0 50 FKAA C[C@H](NCc1cc(-c2cccc(Cl)c2)on1)c1coc2ccccc12 2325878551 UHBIJJCIKGKTQX-ZDUSSCGKSA-N 352.821 5.592 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(Br)cc1 657366 KTNRJQZKUXNRDZ-WEVVVXLNSA-N 350.643 5.063 0 50 FKAA Cc1c(C)c(COCc2c(C)c(C)c(C=O)c(C)c2C)c(C)c(C)c1C=O 1106672 HJQLSLWXVADCSD-UHFFFAOYSA-N 366.501 5.496 0 50 FKAA COc1cc(NCCC(=O)c2ccc3ccccc3c2)c(OC)cc1Cl 2531672 XBJLNLPLFDUCGQ-UHFFFAOYSA-N 369.848 5.195 0 50 FKAA CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 2980279 FTOMJMZACLMEBE-UHFFFAOYSA-N 370.449 5.380 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1Cl 3086116 VUTPPAYBEXZCAT-UHFFFAOYSA-N 350.123 5.623 0 50 FKAA Clc1ccc(COc2ccc(Cl)cc2CNCc2ccncc2)cc1 6672392 YIWQQCNUWXGZLD-UHFFFAOYSA-N 373.283 5.257 0 50 FKAA Clc1cccc(COc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c1 13230290 UGHHTJBKWUOINU-UHFFFAOYSA-N 369.251 6.116 0 50 FKAA O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(Cl)c1Cl 13325210 BDBWNJSHPBKQFK-UHFFFAOYSA-N 364.276 5.233 0 50 FKAA C[C@H](CN1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1)c1ccccc1 20535171 ACPQJUGZAWPZSY-YLJYHZDGSA-N 363.480 5.199 0 50 FKAA COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@H]1O[C@H]1CCCCO1 43762370 RWIMUWIOMDXNIY-DXIQSLLYSA-N 362.510 5.078 0 50 FKAA C[C@@H]([C]1[CH][CH][CH][C]1[P@H](=O)c1ccccc1)P(C(C)(C)C)C(C)(C)C 103673232 JGOALLXUGNKHTM-INIZCTEOSA-N 361.426 6.072 0 50 FKAA CSc1ccccc1NC(=O)N(Cc1ccccn1)C1CCCCC1 299781620 UQEYGGCJEGAYGK-UHFFFAOYSA-N 355.507 5.170 0 50 FKAA C[C@H](Sc1nc2c(F)cccc2n1C)c1cccc(C(F)(F)F)c1 1875326444 BUBPFGTWTAVWGI-JTQLQIEISA-N 354.372 5.585 0 50 FKAA Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)cc1 945314 FGGBZJBWMOEKDW-UHFFFAOYSA-N 359.469 5.803 0 50 FKAA COc1cccc2c1O[C@H](c1ccc(C)cc1)N1N=C(c3ccccc3)C[C@H]21 12193254 QYKNDUBYLRKELT-ZJSXRUAMSA-N 370.452 5.246 0 50 FKAA Cc1cnc(Cn2cnc(-c3ccccc3)c2C[C@H](C)c2ccccc2)cn1 65409197 JRXXHRJXNJCSRY-SFHVURJKSA-N 368.484 5.043 0 50 FKAA Cc1ccc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)nn1 72117412 DKMTUAQVXYXPDK-UHFFFAOYSA-N 360.461 5.078 0 50 FKAA Cc1ccc2nc(-c3ccc(F)cc3)c(CNCc3ccsc3)cc2c1 299761712 NEIDPACVONDIRN-UHFFFAOYSA-N 362.473 5.701 0 50 FKAA O[C@@H](CNc1cccc2ccccc12)Cn1c2ccccc2c2ccccc21 626695 YIHWSRRVVHAGEH-IBGZPJMESA-N 366.464 5.421 0 50 FKAA Clc1ccc(OC[C@@H]2CO[C@H](c3ccc(-c4ccccc4)cc3)O2)cc1 641471 VTTSPGTWSUGSNI-YADHBBJMSA-N 366.844 5.500 0 50 FKAA O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(F)c3)[C@@H]12 651306 OZYJOQMLIVLHOG-DENIHFKCSA-N 359.425 5.606 0 50 FKAA Cc1ccc(-c2nc3ccccc3c(C(=O)NC3CCCCC3)c2C)cc1 656382 BSJQYMVXNOQQIY-UHFFFAOYSA-N 358.485 5.581 0 50 FKAA Cc1ccc(Nc2nc([C@]3(C)C[C@@H](CCC(C)C)C(=O)O3)cs2)cc1 674480 RHVNGYYWNZQCCU-QRWLVFNGSA-N 358.507 5.410 0 50 FKAA C[C@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1 685745 DKEMHOQZSLURFW-JTQLQIEISA-N 350.270 5.699 0 50 FKAA CCn1c2ccc(Br)cc2c2cc(Br)ccc21 1039043 GZBJRMVGNVDUCO-UHFFFAOYSA-N 353.057 5.339 0 50 FKAA biogenic,in-vitro O=C(Nc1ccccc1Cl)Nc1ncc(C(F)(F)F)cc1Cl 1191999 CPPFOWJOKMRZOP-UHFFFAOYSA-N 350.127 5.051 0 50 FKAA Cc1ccc(NC(=O)c2ccc(OCCOc3cccc(C)c3)cc2)cc1 1791538 WJNHDKKNFZYREA-UHFFFAOYSA-N 361.441 5.014 0 50 FKAA CC(C)OC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2578271 LIEVNBPVLPFEEB-UHFFFAOYSA-N 370.246 5.230 0 50 FKAA O=C1C[C@@H](c2ccc(F)cc2)c2cc(Br)c3ccccc3c2N1 2757487 QRKRRBDUXNQIOH-HNNXBMFYSA-N 370.221 5.216 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 2855547 VFOXOSVKPAMSCO-MRXNPFEDSA-N 355.551 5.855 0 50 FKAA COc1ccc(-c2ccccc2)cc1NCc1ccc(Cl)c(Cl)c1 2894069 VZSZDESVYVYTTJ-UHFFFAOYSA-N 358.268 6.281 0 50 FKAA Cc1cccc(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)c1C 6968296 ICYIJCXYLFBVGI-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1c[nH]nc1-c1cc2ccccc2o1 19850218 DJNLLPCLPDDPQN-UHFFFAOYSA-N 374.419 5.075 0 50 FKAA CC(C)c1cc(C(C)C)c(N2CCC3(CCCCC3)C2=O)c(C(C)C)c1 68675278 AGFMBJBJTRSYMK-UHFFFAOYSA-N 355.566 6.744 0 50 FKAA CCCC[C@@H](CC)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169818739 LAKBGBXQBHJKSB-HSZRJFAPSA-N 372.628 5.373 0 50 FKAA Cc1ccc(-c2nc(C)c(C(=O)N(C)c3ccc(Cl)cc3F)s2)o1 439181945 QPFDOIFSQOJTNC-UHFFFAOYSA-N 364.829 5.089 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1C 4247961 JSPLQNUOAZPXLC-UHFFFAOYSA-N 355.441 5.179 0 50 FKAA CC(C)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 13329933 JKJFVNSGQWCTCU-GFCCVEGCSA-N 351.277 6.000 0 50 FKAA CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C[C@H](CC)CCCC 25722290 BZUDVELGTZDOIG-KMDXXIMOSA-N 353.679 7.938 0 50 FKAA in-vitro CCCCCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccccc1 101124964 IQJSVVPWUHOEJL-LSDHQDQOSA-N 356.922 6.293 0 50 FKAA Cc1csc(-c2ccc(C(=O)Nc3c(C)cc(N(C)C)cc3C)cc2)n1 129166550 IRNDNIQCKWGAKL-UHFFFAOYSA-N 365.502 5.054 0 50 FKAA CCC[C@H]1C=CCN1C(=O)c1cccc(-c2cccc(CN3CCCC3)c2)c1 426683824 NVDKRSYSWPDBKR-DEOSSOPVSA-N 374.528 5.130 0 50 FKAA CC[C@@H](NC[C@@H](O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 746048316 FHDDRDSFBCUDMR-IAGOWNOFSA-N 357.803 5.133 0 50 FKAA Cc1nc([C@@H](C)N(C)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)s1 827868250 FFMNMHZMOWAXRK-SECBINFHSA-N 357.401 5.004 0 50 FKAA CC(C)OC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 950157 KNKPNEZOEMUIMK-UHFFFAOYSA-N 367.232 5.203 0 50 FKAA CC(C)(C)c1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1 1101515 SONQCNNLQMXYIQ-UHFFFAOYSA-N 353.775 5.366 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1c2c(nc3ccccc13)-c1ccccc1C2 1155589 KHGVIDBNAPKAKK-UHFFFAOYSA-N 370.839 5.712 0 50 FKAA CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 1156216 QBNUBNOCQKQHGB-UHFFFAOYSA-N 357.759 5.398 0 50 FKAA O=C(CSCc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 1179050 DYAOOVVDPDBVHR-UHFFFAOYSA-N 359.800 5.231 0 50 FKAA CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2312125 TZFNXYRVVGWOPM-UHFFFAOYSA-N 366.420 5.357 0 50 FKAA O=C(Oc1ccccc1Cl)c1cccc(COc2ccccc2Cl)c1 2750720 PIJDCGYCBQBCNK-UHFFFAOYSA-N 373.235 5.792 0 50 FKAA Cc1nc(C)c(-c2csc(Nc3ccccc3C(F)(F)F)n2)s1 2861367 KZLSSYMZNIXUDR-UHFFFAOYSA-N 355.410 5.646 0 50 FKAA CC(=O)Nc1cccc(-c2csc(Nc3cccc(Cl)c3C)n2)c1 2861372 PGVAWDXENGEUOB-UHFFFAOYSA-N 357.866 5.474 0 50 FKAA CCC(=O)c1ccccc1OCCCN1CCC(Cc2ccccc2)CC1 4832475 MCLUGZKPXGFEFR-UHFFFAOYSA-N 365.517 5.003 0 50 FKAA C[C@@H]1CC(C)(C)Cc2c1sc1[nH]c(=S)n(-c3ccccc3)c(=O)c21 5408882 FIESIEPUEWAAHT-LLVKDONJSA-N 356.516 5.186 0 50 FKAA COc1ccc(C2=NN3[C@H](CC(C)C)Oc4ccc(Cl)cc4[C@@H]3C2)cc1 6832551 UJKXUKRXTJCACO-FPOVZHCZSA-N 370.880 5.264 0 50 FKAA COc1cccc([C@@H]2CCCN2Cc2nc(-c3ccccc3F)oc2C)c1 12200050 OPGOEMVAYRMSRS-NRFANRHFSA-N 366.436 5.135 0 50 FKAA Fc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccco4)nc32)cc1 20615044 DPIJULQKAQLKOP-UHFFFAOYSA-N 369.346 5.635 0 50 FKAA C[C@H](CN1CCC[C@H](c2n[nH]cc2-c2ccccc2F)C1)c1ccccc1 43041435 AEPSUSITXGCDER-MJGOQNOKSA-N 363.480 5.199 0 50 FKAA O=C(NCc1cccc(Oc2ccccc2)c1)c1cc(F)c2ncccc2c1 201167481 YMBXNGGRDKCCHC-UHFFFAOYSA-N 372.399 5.096 0 50 FKAA CC(C)c1ccc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 263588331 RXPHDDOTKMYNAJ-FQEVSTJZSA-N 362.477 5.445 0 50 FKAA CCCN(C(=O)c1cccc(-c2ccnc3c(F)cc(F)cc23)c1)C1CC1 584901556 LVDJHKGOGYEGJS-UHFFFAOYSA-N 366.411 5.195 0 50 FKAA CCC[C@H](N[C@H](C)c1cn(C)nc1C)c1ccc(Oc2ccccc2)cc1 2325822233 LCXGHJWCXILSKK-HXOBKFHXSA-N 363.505 5.713 0 50 FKAA CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 651656 FSESBBFRQCUXMB-GFCCVEGCSA-N 352.261 5.270 0 50 FKAA O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccnc1 779046 KKUMTYPYPJWAHE-UHFFFAOYSA-N 365.845 5.264 0 50 FKAA O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1 834117 ARMPPHRWKWSPOQ-UHFFFAOYSA-N 363.013 5.147 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1Cl 1167471 CCPCMQSIFQVNHW-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 1181547 HGYSQWQSQZJBQJ-ZSOIEALJSA-N 368.241 5.310 0 50 FKAA C[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1ccc2c(c1)CCCC2 2322279 PGSVYBVILQPZOJ-UUOWRZLLSA-N 361.529 5.717 0 50 FKAA CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 2391677 FPXLLGOTFWJZRH-UHFFFAOYSA-N 354.262 5.157 0 50 FKAA COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccc(F)cc1 4644674 WZWACNNZODLADL-SFHVURJKSA-N 352.434 5.252 0 50 FKAA CCc1ccc2oc(C(=O)Nc3nc4ccc(OC)cc4s3)c(C)c2c1 4808479 YJDIJCXGZOIPHJ-UHFFFAOYSA-N 366.442 5.174 0 50 FKAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 6520609 KXFLCJSLJOADQO-IBGZPJMESA-N 373.496 5.088 0 50 FKAA CSc1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1 15011011 BNBXIQSIZXFKLL-JXAWBTAJSA-N 369.511 5.078 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](C(C)=O)[C@@H](C)C[C@@H]4[C@@H]3CC[C@H]2C1 257349661 PZCXJZFJUJOEBZ-RHPTVEQYSA-N 372.549 5.332 0 50 FKAA FC(F)(F)c1cnc(-c2ncc(-c3ccccc3Cl)[nH]2)c(Cl)c1 263640074 WIHJAPZXOSWQFQ-UHFFFAOYSA-N 358.150 5.464 0 50 FKAA C[C@@H](NCC[C@H]1OCCCC1(C)C)c1cc(Cl)ccc1OC(F)F 1875330580 UKGYLRVSUAKBBB-MLGOLLRUSA-N 361.860 5.187 0 50 FKAA CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 629863 RWWIUMOMWYVWJS-UHFFFAOYSA-N 352.261 5.308 0 50 FKAA COc1ccc2c(Cl)c(C(=O)Oc3ccccc3Cl)sc2c1 674853 IMXBKRXSXZALNL-UHFFFAOYSA-N 353.226 5.436 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc(Cl)c1Cl 677536 GDPJQCPHIWOVLO-HQJQHLMTSA-N 353.076 5.523 0 50 FKAA CCC(=O)c1cn(CCOc2ccc(OC(C)C)cc2)c2ccccc12 1064914 JXHKTWIKKFDIGF-UHFFFAOYSA-N 351.446 5.100 0 50 FKAA COc1cccc(NC(=S)Nc2ccccc2Oc2ccccc2)c1 1108792 YGCKCMOBRHGHIM-UHFFFAOYSA-N 350.443 5.296 0 50 FKAA Cc1nc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cs1 1169898 RIHZQIHTMCCPHG-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA CCC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccc(F)cc1 2853872 OOWHQTWIKLJHQB-OAQYLSRUSA-N 365.448 5.380 0 50 FKAA COc1ccc(CSc2cc(C)c3ccccc3n2)cc1Br 2861826 FXHDABLSQGWCMQ-UHFFFAOYSA-N 374.303 5.607 0 50 FKAA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3C=C[C@@]12C 257348080 BEDPXTVFPSLUPA-DGVSVCMESA-N 372.593 6.401 0 50 FKAA C[C@H](NC1(c2ccc(Br)s2)CC1)c1ccc2cnccc2c1 2325827580 KNSBFHCXKZIKLP-LBPRGKRZSA-N 373.319 5.399 0 50 FKAA O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2ccccc2)N1c1ccc(F)cc1 843902 AWYDFJFYGDRQMB-NRFANRHFSA-N 362.379 5.049 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2ccc(F)cc2F)c2ccccc2)cc1 1150087 DMXGMILWCAVASM-CPNJWEJPSA-N 365.379 5.153 0 50 FKAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1 1175431 PMUYOEBZKHPOBR-UHFFFAOYSA-N 353.425 5.100 0 50 FKAA CC(=O)Oc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1 1217831 LTGYHXNHWLRYHZ-UHFFFAOYSA-N 361.422 5.055 0 50 FKAA CCCC[C@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 2207665 KQRNFZDKZGTCJL-KPZWWZAWSA-N 364.898 5.509 0 50 FKAA C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1ccc2c(c1)CCCC2 2322280 PGSVYBVILQPZOJ-KOSHJBKYSA-N 361.529 5.717 0 50 FKAA CCCCNC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 4948878 JIFWZRUCWDQPDY-UHFFFAOYSA-N 374.553 5.243 0 50 FKAA biogenic Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1ccccc1)O2 13511288 JRDLQYGIXLGAFV-XLIONFOSSA-N 350.805 5.175 0 50 FKAA O=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C=O)cc4)cc3)cc2)cc1 137502408 NDPOXCAWNCWBPK-UHFFFAOYSA-N 362.428 6.313 0 50 FKAA Cn1cc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 1857525350 JHTFPRFKUMCPIU-OXCJSFMYSA-N 368.565 5.207 0 50 FKAA c1ccc([C@H]2C3=C(N=C4Nc5ccccc5N42)c2ccccc2CCC3)cc1 755086 BTQBADAYKSFGDC-DEOSSOPVSA-N 363.464 5.777 0 50 FKAA Cc1ccccc1Nc1nc([C@]2(C)C[C@@H](CCC(C)C)C(=O)O2)cs1 819879 WGRJUOXIPVHBJJ-QRWLVFNGSA-N 358.507 5.410 0 50 FKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)[C@@H](C)Oc1ccccc1 1174811 VFCVLYHQYHZJPA-MRXNPFEDSA-N 372.424 5.209 0 50 FKAA CCCCCc1ccc(OCCC[n+]2ccccc2)c(CCCCC)c1 4566492 IMYGWRQFFZCFAQ-UHFFFAOYSA-N 354.558 5.909 0 50 FKAA O=C(Nc1cccc(Cl)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 4771079 YCILFUVVLIDADN-UHFFFAOYSA-N 374.827 5.081 0 50 FKAA Cc1ccc(CCCCCCCCCCCC(=O)Nc2ccccc2)s1 4792718 PAQLDLYJPDCTJV-UHFFFAOYSA-N 371.590 7.139 0 50 FKAA CNc1nc(SCc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)n1 5632561 NXMUYVAPJIKBFL-UHFFFAOYSA-N 355.429 5.127 0 50 FKAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H]1c1ccc(Cl)cc1 21525307 HDFQGOUWFPXBCQ-OAHLLOKOSA-N 358.850 5.034 0 50 FKAA COc1cc(CN2CCCC2)ccc1Oc1ccc(C(F)(F)F)cc1 67789101 XIPHKXZKKKJKBV-UHFFFAOYSA-N 351.368 5.102 0 50 FKAA CSCC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 96131476 KELCFDWWWGKVSF-UHFFFAOYSA-N 356.491 5.086 0 50 FKAA Cc1cc(S(=O)(=O)Oc2cccc3ccccc23)c(Cl)cc1Cl 1875358479 XOGKILMNYCQIDR-UHFFFAOYSA-N 367.253 5.223 0 50 FKAA C=CC(=O)N(CC1=CCCCC1)Cc1cc(-c2ccc(Cl)cc2)on1 1875386319 MTSMVIFBHCAZPU-UHFFFAOYSA-N 356.853 5.010 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2ccccc2c1 1218118 BEALQHIWKJKGIJ-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1cc(C)cc(-n2sc3c(c2=S)-c2ccc(C)cc2NC3(C)C)c1 2080871 MUACREJBLVJHBR-UHFFFAOYSA-N 366.555 6.521 0 50 FKAA CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 2950529 KZTZFMBCUUSCQM-UHFFFAOYSA-N 359.469 5.669 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2ccc(F)cc2)on1 3907637 KGQOYTHAODEHOB-UHFFFAOYSA-N 351.164 5.040 0 50 FKAA Cc1[nH]c2ccccc2c1C(c1ccccc1)c1c(C)[nH]c2ccccc12 4811488 VIKTXVREWFCADJ-UHFFFAOYSA-N 350.465 6.446 0 50 FKAA Cc1ccc(-c2nc(-c3ccc(C)cc3)c(Nc3ccccc3)s2)cc1 5740441 QKJVMOQUYTXZJN-UHFFFAOYSA-N 356.494 6.838 0 50 FKAA CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 12379282 NTISSUBFZAIVDS-UZZNBZAZSA-N 370.577 5.686 0 50 FKAA biogenic CCCC[C@H](CC)Cc1cc(Br)sc1Br 95093186 DFUZDCATNROZQR-VIFPVBQESA-N 354.151 6.032 0 50 FKAA Cc1cc([C@H]2CCCCN2C(=O)Nc2cccc(-c3ccco3)c2)no1 95530455 YHGHGVHNXLSGRP-GOSISDBHSA-N 351.406 5.002 0 50 FKAA O[C@]12CCCC[C@H]1[C@H](c1ccc(F)cc1)N(C/C=C/c1ccccc1)CC2 230033865 WJIDANGHKXCJLA-MGYNFMGQSA-N 365.492 5.207 0 50 FKAA CC(C)c1cnc(NC(=O)c2cccn2[C@@H](C)Cc2ccccc2)s1 2325871224 CIVYDAKRUVIZKL-HNNXBMFYSA-N 353.491 5.124 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c(Cl)c1 796184 CJYZGAFDNLDKAA-UHFFFAOYSA-N 368.820 5.054 0 50 FKAA COc1cccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)c1 828376 CUOBWTUYPBFNMO-VGOFRKELSA-N 372.468 5.287 0 50 FKAA Cc1nc(-c2ccc(C(=O)NCc3cccc4ccccc34)cc2)cs1 1088532 TWKQXXHOZKUVJZ-UHFFFAOYSA-N 358.466 5.202 0 50 FKAA Clc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 1165820 OQWVYQGPDGGMSS-UHFFFAOYSA-N 350.809 5.232 0 50 FKAA Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccco3)=NN12 1177081 CDJDMSWCJSDGBN-XLIONFOSSA-N 350.805 5.175 0 50 FKAA O=c1c(OCc2ccccc2Cl)c(-c2ccco2)oc2ccccc12 1978246 FIPWQQWSBLFHJT-UHFFFAOYSA-N 352.773 5.285 0 50 FKAA Cc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1Br 4912397 OOKXYPLMHAWHAF-QGZVFWFLSA-N 366.258 5.385 0 50 FKAA O=C(Nc1ccccc1)Oc1ccc(Cl)cc1C(=O)c1ccccc1 640499 AEHMSNOXYGCVEJ-UHFFFAOYSA-N 351.789 5.182 0 50 FKAA CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1cccc(C)c1 717930 HOBQMRKPWJRINK-UHFFFAOYSA-N 359.640 5.271 0 50 FKAA O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccccc2)nc2ccccc12 986000 GOPBGCJCUJAQHR-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA Cc1cc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 1152468 YVDMZVZSEUFJKC-UHFFFAOYSA-N 371.786 5.302 0 50 FKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1C 1219022 XSLLTQVOXSIGIN-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA O=C(CCCOc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 1779485 RKEHIJBKKNQNJS-UHFFFAOYSA-N 357.759 5.157 0 50 FKAA O=C(Nc1ccc(Cl)cc1F)[C@@H](Sc1ccccc1)c1ccccc1 2086638 MSTWFYXLAINMPN-IBGZPJMESA-N 371.864 5.951 0 50 FKAA CCCn1c(C)nc2scc(-c3ccc(-c4ccccc4)cc3)c2c1=O 2867339 WHPRVBOZBJQEPE-UHFFFAOYSA-N 360.482 5.510 0 50 FKAA c1ccc2c(OCCCCCOc3cccc4ccccc34)cccc2c1 2880514 NDDPNGDIWQWSMK-UHFFFAOYSA-N 356.465 6.621 0 50 FKAA Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCCCC2)cc1 4715948 VFCZMFYOHRRVON-LJQANCHMSA-N 370.855 5.683 0 50 FKAA CCOc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3F)C2)cc1 4957752 BTCGTBWUYCXTOV-QHCPKHFHSA-N 360.432 5.580 0 50 FKAA Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1[C@H](C)CCCC(C)(C)O 67675218 XUXMCRCCVOXCMH-OAHLLOKOSA-N 366.509 5.059 0 50 FKAA Brc1cc(/C=C\c2ccccc2)ccc1/C=C\c1ccccc1 71787022 BAHVVQDNBZYNGR-CWENXQOLSA-N 361.282 6.790 0 50 FKAA CCSc1ccccc1NC(=O)N(C)[C@@H](C)c1ccc(OC)cc1OC 96151416 BNGHJTXJKZAIHX-AWEZNQCLSA-N 374.506 5.041 0 50 FKAA c1ccc(C(c2ccccc2)N2CC[C@@H](n3ncc4ccccc43)C2)cc1 2325839446 ULNADSBFCDTYRN-JOCHJYFZSA-N 353.469 5.073 0 50 FKAA O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1Cl 641021 SQXIOQWMHRCTFS-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1 753672 PTHOVBVFVQLMGA-UHFFFAOYSA-N 367.235 5.360 0 50 FKAA aggregator O=C(Nc1ccc(F)cc1F)c1sc2cc(Cl)ccc2c1Cl 814731 YCYQFGUXHNJZEL-UHFFFAOYSA-N 358.196 5.739 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1[C@H]1CC1(Cl)Cl 1078713 JXBPVIQHUPJJPQ-CYBMUJFWSA-N 355.652 5.645 0 50 FKAA Fc1ccccc1NC(=S)Nc1cc(Cl)ccc1Oc1ccccc1 1108824 KIJLGCVQOWRIIN-UHFFFAOYSA-N 372.852 6.080 0 50 FKAA O=C1c2cccc3c(N4CCCCCC4)ccc(c23)C(=O)N1c1ccccc1 1143384 SSORQMNHMRUJPO-UHFFFAOYSA-N 370.452 5.021 0 50 FKAA Cc1cc(-c2ccccc2)n2nc(-c3cccc(Br)c3)cc2n1 1178470 OVLASFQBIMNHJQ-UHFFFAOYSA-N 364.246 5.134 0 50 FKAA Cc1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)c(C)c1 1233492 PBTAZDVRUPKOCI-MHIUNMELSA-N 353.465 5.539 0 50 FKAA CN(CC(c1ccccc1)c1ccccc1)C[C@@H]1OCCc2ccccc21 3683941 ANISUAWCDPNQEH-VWLOTQADSA-N 357.497 5.064 0 50 FKAA Fc1ccc(-c2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1 4237717 FZEYIIBKVJONEW-UHFFFAOYSA-N 373.250 5.631 0 50 FKAA Cc1ccccc1OC(c1ccccc1)(c1ccccc1)c1ccccc1 4530473 GRPBPLQSJPZQFX-UHFFFAOYSA-N 350.461 6.366 0 50 FKAA O=C(NCc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 4599701 KQAOEVVVWRXPRP-UHFFFAOYSA-N 366.873 5.853 0 50 FKAA CC[C@@H]1CCc2sc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1 6392636 VYBIFXWLYUPKNA-LLVKDONJSA-N 353.409 5.534 0 50 FKAA CC[C@H](NC(=O)Nc1cccc(SC)c1)c1ccc([C@H](C)CC)cc1 13320024 VYQFFZCGEBRWGN-QRWLVFNGSA-N 356.535 6.195 0 50 FKAA O=C(NC1CCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 40915118 YNYOWRRXJIPCGX-UHFFFAOYSA-N 357.453 6.052 0 50 FKAA Brc1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1 98179764 MBGUQKKYEOAENA-UHFFFAOYSA-N 372.265 6.699 0 50 FKAA in-vitro CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@@H]3CC[C@@]12C 257349892 SFBMPHLOQAKIBY-HTEMFJRPSA-N 370.665 8.274 0 50 FKAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2ncccc2Cl)CC1 2325895221 DRSJGVGZBJWTDM-SHTZXODSSA-N 374.937 5.336 0 50 FKAA Cc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)O)cc1 658089 ZIOIPVSPKLZYGZ-UHFFFAOYSA-N 372.877 5.451 0 50 FKAA CC1CCN(C(=S)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1 666932 NTVKOBZDEJQFON-UHFFFAOYSA-N 366.505 5.236 0 50 FKAA aggregator Cc1c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)oc2ccccc12 1053525 RODSQXUAJBZLIX-UHFFFAOYSA-N 353.727 5.666 0 50 FKAA CCOC(=O)Nc1ccc(-c2ccc(NC(=O)OCC)c(C)c2)cc1C 1114982 WVLYPBUOXOPMMU-UHFFFAOYSA-N 356.422 5.107 0 50 FKAA CCc1ccc(OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 1457026 NKTSVKUSGGURSQ-UHFFFAOYSA-N 361.466 5.457 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)Oc1cc(C)c(Cl)c(C)c1Cl 1752391 PHFSKXPCSQUTJS-UHFFFAOYSA-N 358.652 6.183 0 50 FKAA Cc1ccccc1N[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2c(C)cccc21 2260704 ACLHIXHXMIGRBU-XXBNENTESA-N 370.496 5.896 0 50 FKAA CCOc1ccccc1OCCCOc1ccc(C)cc1Br 2984171 QWKUGBWTLYFYME-UHFFFAOYSA-N 365.267 5.004 0 50 FKAA OC1(CCCOCc2ccccc2)c2ccccc2C=Cc2ccccc21 4532321 GTUPYVBJTRWVAO-UHFFFAOYSA-N 356.465 5.403 0 50 FKAA Cc1ccccc1Oc1ncccc1CNCc1ccc(OC(F)F)cc1 55385670 CNCFDKIQTUJDLU-UHFFFAOYSA-N 370.399 5.074 0 50 FKAA CCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169295592 NSMKWGGRWAFJDI-XWPMNIEDSA-N 360.501 5.123 0 50 FKAA CC[C@H](C)N1C(=O)CC[C@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 334163285 NJPTZMIPNXGMBN-UWJYYQICSA-N 360.501 5.616 0 50 FKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccco1 847498 CSHHKOJCPNRDGU-FBZGKKRMSA-N 358.441 5.271 0 50 FKAA Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(OC(F)F)c1 1121859 YKCWIBCWRIUQJR-UHFFFAOYSA-N 360.282 5.259 0 50 FKAA CC(=O)c1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 1131803 PGMAVDLUJLJMEU-UHFFFAOYSA-N 368.285 5.068 0 50 FKAA CC[C@@H](C)c1ccc([C@H](C)NC(=S)Nc2ccc(OC)cc2OC)cc1 2851326 FDXFEGHCNCVLRI-CABCVRRESA-N 372.534 5.265 0 50 FKAA O=C(NCCSCc1cccc(Cl)c1)c1c(Cl)cccc1Cl 3664508 CYRKLMGAIHIRCW-UHFFFAOYSA-N 374.720 5.310 0 50 FKAA Cc1cccc(-n2c(/C=C\c3ccccc3Cl)nc3ccccc3c2=O)c1 4724722 NETFGNOWNYMHMH-YPKPFQOOSA-N 372.855 5.518 0 50 FKAA CC(C)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 4854029 MSWDUZLRIJNMEH-PKOBYXMFSA-N 361.272 5.519 0 50 FKAA CCOc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1Cl 4911737 MDLIXEQUDGIIRU-QGZVFWFLSA-N 351.833 5.366 0 50 FKAA Cc1ccccc1CSCc1nnc(S)n1-c1ccc(C(C)C)cc1 6401693 NDIFAFUAHRFSOD-UHFFFAOYSA-N 369.559 5.421 0 50 FKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13616440 VRNCUACSHNHYIW-IEBWSBKVSA-N 361.272 5.663 0 50 FKAA COc1cccc2c(NC(=O)c3cc(SC)ccc3Cl)c(C)cnc12 170617625 CGJIWBQIHWINIF-UHFFFAOYSA-N 372.877 5.179 0 50 FKAA COc1cccc(-c2ccc(C(=O)N(Cc3ccncc3)CC(C)C)cc2)c1 426701666 SBBOVPYVSAEILY-UHFFFAOYSA-N 374.484 5.056 0 50 FKAA Cc1cc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)oc2cc1C 826356 JXDJZQHRGJNZGZ-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 939064 LRTOHZBDLKXYTG-UHFFFAOYSA-N 364.857 5.869 0 50 FKAA Cc1cc(Br)cc(C)c1NC(=O)c1ccc(OC(C)C)cc1 1157494 WFWVGVAWLUDEJJ-UHFFFAOYSA-N 362.267 5.105 0 50 FKAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 1209001 IRBJSJKVEJJQIX-UHFFFAOYSA-N 362.816 5.329 0 50 FKAA CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542101 WSJYVRXLXQEJBS-WYMLVPIESA-N 365.860 6.123 0 50 FKAA COc1ccc(Nc2nc(/C=C/c3ccccc3)nc3ccccc23)cc1 5586582 AIPDYBCWUMJJDC-LFIBNONCSA-N 353.425 5.552 0 50 FKAA CC(C)(C)OC(=O)N(Cc1ccc(Br)cc1Cl)C1CC1 230549898 XXIOQCNAGXWTCI-UHFFFAOYSA-N 360.679 5.002 0 50 FKAA COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257350675 ZFTMPARDUAODSX-LFTVBGCCSA-N 360.538 5.024 0 50 FKAA COCCN(Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@H]1CC[C@H](C)C1 1875356904 RBMKUZUQUUVEQC-HOTGVXAUSA-N 364.599 5.030 0 50 FKAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(Cl)cc1 949057 NSWVTNRHKCRXPX-UHFFFAOYSA-N 354.837 5.425 0 50 FKAA O=C(c1ccccc1Cl)N1N=C(c2cccs2)C[C@@H]1c1cccs1 1114266 VWGUVUQUWBMDSI-OAHLLOKOSA-N 372.902 5.455 0 50 FKAA Cc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1 13123255 JLUXSGBUZHLOLL-UHFFFAOYSA-N 362.326 5.182 0 50 FKAA CCCC1CCC(C(=O)Oc2ccc(C#Cc3ccc(C)cc3)cc2)CC1 34365014 YIPSUJIRZBIOQM-UHFFFAOYSA-N 360.497 5.907 0 50 FKAA Cc1csc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)c1 1875303936 SPBFGZNMXJUUEL-UHFFFAOYSA-N 356.447 5.548 0 50 FKAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 838258 POVDQTFKCRJINB-HNNXBMFYSA-N 374.465 5.369 0 50 FKAA CN(CCc1ccccn1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 875276 NGXPBIIGDXTUFZ-UHFFFAOYSA-N 354.538 5.057 0 50 FKAA CCCC[C@@H](CC)COP(=O)(Oc1ccccc1)Oc1ccccc1 2039679 CGSLYBDCEGBZCG-GOSISDBHSA-N 362.406 6.486 0 50 FKAA biogenic,in-man CC(C)c1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 2081583 SIGFGIWDVRLNRL-UHFFFAOYSA-N 366.464 6.278 0 50 FKAA CCCCN1C(=O)S/C(=C\c2cc(C(C)C)c(OCC)cc2C)C1=O 2813190 DLUFBCGPIROUKP-PDGQHHTCSA-N 361.507 5.354 0 50 FKAA O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1Cl 4542128 ATTJUWICDRVJOX-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA Brc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1 13126000 GQVATYVJIBWCMZ-UHFFFAOYSA-N 355.260 5.721 0 50 FKAA aggregator CC(C)=CCCCC[C@H](C)[C@@]1(S(=O)(=O)c2ccccc2)C=CC(=O)CC1 45071633 BVAFROOEAGQLAN-SIKLNZKXSA-N 374.546 5.281 0 50 FKAA C[C@H](CN[C@H](CC(=O)O)c1ccsc1)Cc1ccc(C(C)(C)C)cc1 170612917 ZRYQARXVZMQVAZ-HNAYVOBHSA-N 359.535 5.030 0 50 FKAA CC1(C)CCc2ccccc2[C@H]1NC(=O)Nc1ccc(-c2ccon2)cc1 1875335849 JETBKSLFGLLIDQ-HXUWFJFHSA-N 361.445 5.177 0 50 FKAA CC(C)(C(=O)N1CCCc2ccccc2C1)c1ccc(Cl)c(Cl)c1 2325825636 XUKKYCLUBBHUDP-UHFFFAOYSA-N 362.300 5.246 0 50 FKAA CCN(C(=O)c1ccc(C(=O)N(CC)c2ccccc2)cc1)c1ccccc1 641403 YEJDLRLKOCRMEY-UHFFFAOYSA-N 372.468 5.020 0 50 FKAA CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 947073 UJAWVCXMUZTCBM-UHFFFAOYSA-N 351.368 5.020 0 50 FKAA C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 1114480 FLPYLGADKZOORY-GFCCVEGCSA-N 360.240 5.744 0 50 FKAA Cc1ccc2oc(-c3cccc(NC(=O)CCc4ccccc4)c3)nc2c1 1128244 VMHOGTAKGCETSV-UHFFFAOYSA-N 356.425 5.375 0 50 FKAA CC(C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccco4)c3)nc2c1 1166784 MWFOVZGYCFRESR-PKNBQFBNSA-N 372.424 5.863 0 50 FKAA Clc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1Cl 1440757 ZTVRCJSOAVWQNC-UHFFFAOYSA-N 359.994 5.066 0 50 FKAA Clc1ccccc1CSc1nnc2c(n1)-c1cccc3cccc-2c13 2117905 OVTRQIUGDHUDMF-UHFFFAOYSA-N 361.857 5.618 0 50 FKAA Clc1ccc(-c2nc3sc(-c4ccc(Cl)cc4)nc3s2)cc1 2291063 BRHBUPMTTIAYKU-UHFFFAOYSA-N 363.294 6.394 0 50 FKAA Cc1ccc(S[C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)c(C)c2)cc1 4797866 LHSLBYPJDVQTQR-LEWJYISDSA-N 374.571 5.489 0 50 FKAA CCC(CC)n1ncc(C)c1NC(=O)C[C@H](c1ccccc1)c1ccco1 55413966 YQRYUECUSJMJOX-LJQANCHMSA-N 365.477 5.306 0 50 FKAA CCCN(CCC)CCC(=O)N1c2ccccc2Sc2ccccc21 71770717 SPZNPUBKWWNCKH-UHFFFAOYSA-N 354.519 5.328 0 50 FKAA Nc1cnccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1 261507672 KYRTWSOVBQVRKM-UHFFFAOYSA-N 351.453 5.068 0 50 FKAA Fc1ccc([C@H]2CCCCN2Cc2cc(CN3CCCC3)cs2)cc1 670468971 YNKIQCUKOBVQTA-OAQYLSRUSA-N 358.526 5.210 0 50 FKAA Cc1[nH]c(-c2ncc(-c3ccccc3C(F)(F)F)o2)nc1-c1ccccc1 1875365487 DYWPGKUNGWSHOL-UHFFFAOYSA-N 369.346 5.726 0 50 FKAA CC(C)C1CCC([C@](C)(O)CNC[C@@]2(C)CCCc3ccccc32)CC1 2325842166 QAGKNAVSUUJVJE-JZQAIOGPSA-N 357.582 5.084 0 50 FKAA CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)cc1 753791 YHYIXRWFLNNBGZ-ROUUACIJSA-N 362.517 5.217 0 50 FKAA biogenic COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1215449 VSKQGGQKZHCXIS-UHFFFAOYSA-N 364.150 5.273 0 50 FKAA COc1ccc(C(=O)CCSCc2c(C)c(C)c(C)c(C)c2C)cc1 2531690 LMKASKPGDWKCSU-UHFFFAOYSA-N 356.531 5.744 0 50 FKAA Cc1nc2ccccc2n1C(=O)CCCOc1ccc(Cl)cc1Cl 2756070 BAERJUXOZMYGPN-UHFFFAOYSA-N 363.244 5.151 0 50 FKAA Cc1c(Cl)cccc1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2893979 HLEUZMKCTBNPEF-UHFFFAOYSA-N 359.941 6.561 0 50 FKAA COc1ccc2ccccc2c1[C@H](c1ccccc1)n1nnc2ccccc21 5361498 PSFGQDAWPPAWJT-DEOSSOPVSA-N 365.436 5.231 0 50 FKAA CCN(CC)CCn1c(NCc2cccc3ccccc23)nc2ccccc21 13748586 XZDQDQIONBBCJK-UHFFFAOYSA-N 372.516 5.143 0 50 FKAA Oc1cc2ccc(Br)cc2cc1C12CC3CC(CC(C3)C1)C2 34317546 BLOOFHRWAOQRNT-UHFFFAOYSA-N 357.291 5.776 0 50 FKAA C[C@H](F)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 96032887 RUNACDQZPZNQMN-SFHVURJKSA-N 373.471 6.554 0 50 FKAA in-vitro Fc1cccc(C2(c3nc(-c4ccsc4C(F)(F)F)no3)CC2)c1 904922358 FVGUDRAZJGIUOJ-UHFFFAOYSA-N 354.328 5.036 0 50 FKAA C[C@H]1CC[C@H](NC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c2ccccc21 2325866218 DNPDRDJLVLBLEJ-MWUWBQKZSA-N 368.908 5.524 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl 640964 QFTCAZCPTABRKS-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cccc(F)c1 1208800 GRNRHCVQXSEDHG-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1 2305134 XCEJRBWFYREIQE-UHFFFAOYSA-N 358.444 6.631 0 50 FKAA CCCCCCC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C 2779411 SIJFGEIQBSLYAE-RXVVDRJESA-N 350.506 5.935 0 50 FKAA C[C@H](NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 2863003 IKCAZUBZLAJGQU-INIZCTEOSA-N 365.860 5.410 0 50 FKAA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(Cl)c1C 2970180 YEMKZXGAZJSAHO-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA CCN(C(=O)[C@@H](Sc1ccccc1)c1ccccc1)C1CCCCC1 6675458 VFMVXEYYRIQXSI-NRFANRHFSA-N 353.531 5.701 0 50 FKAA Cc1ccc2oc(C(=O)Nc3nc(-c4ccc(C)s4)ns3)c(C)c2c1 21806071 URQLPWPVOQBUMU-UHFFFAOYSA-N 369.471 5.190 0 50 FKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2Cl)[C@H]3CCC1 22077992 JFOSOPVZAFMROV-QFIPXVFZSA-N 364.920 5.886 0 50 FKAA CC1(C)[C@H]2CC[C@@]1(C)[C@H]1C[C@H](O[C@H]3C[C@H]4[C@@H](O3)[C@H]3CC[C@@]4(C)C3(C)C)O[C@@H]21 101166017 PMKIEOMARWISLE-AZMTVQKWSA-N 374.565 5.378 0 50 FKAA C1=C[C@H]2C[C@H]1[C@@H]1[C@@H]2[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 216458056 BMQRTDMCYKLBQY-HXWICUKFSA-N 362.472 5.656 0 50 FKAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccc(C)c1 792909 BVGVVUNQMCPADK-UHFFFAOYSA-N 371.483 5.214 0 50 FKAA C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)C1 1083455 MRDBEAPOUDGGET-GFCCVEGCSA-N 368.260 5.038 0 50 FKAA O=C(Nc1ccc(Br)cc1)c1cccc(Oc2ccccc2)c1 1147656 XCZCVFPAIJXRQH-UHFFFAOYSA-N 368.230 5.494 0 50 FKAA CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(OC)cc1 1172741 PEFWPRWWAPRLMH-UHFFFAOYSA-N 366.486 5.332 0 50 FKAA CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 1186576 ZFTASOLQTAMVIU-UHFFFAOYSA-N 374.868 5.807 0 50 FKAA Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)N3CCCC[C@@H]3C)c2C)c1 1460282 KXHLFYKKBBSNKR-SFHVURJKSA-N 372.512 5.842 0 50 FKAA COc1ccc2oc3cc(N(C)C)cc(-c4ccc(Cl)cc4)c3c2c1 2494917 YNISPYSREQLYMM-UHFFFAOYSA-N 351.833 5.981 0 50 FKAA CC(C)(C)c1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1 2679390 HYPQJNRRGVCRLT-UHFFFAOYSA-N 359.498 6.399 0 50 FKAA CC(C)N(C(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)C(C)C 2859415 FSMPIXPHEVVHEL-SFHVURJKSA-N 359.897 5.213 0 50 FKAA O=C(Nc1ccc(Cl)cc1F)c1sc2cc(Cl)ccc2c1Cl 4755029 AVHZGCZSGVMXPO-UHFFFAOYSA-N 374.651 6.253 0 50 FKAA CCCc1ccc(Oc2c(-c3ccc(OCC)cc3O)n[nH]c2C)cc1 4755692 GXWBCHYVZFNGPZ-UHFFFAOYSA-N 352.434 5.234 0 50 FKAA Cc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN12 25764052 CZXUJHYQXDLEKT-GGAORHGYSA-N 358.416 5.376 0 50 FKAA O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 244724487 MUZUZXBNNZQLPH-ZSAUSMIDSA-N 358.696 5.135 0 50 FKAA aggregator Fc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 732274 BWWRHJPYROTYHG-UHFFFAOYSA-N 361.445 5.366 0 50 FKAA COc1ccccc1-c1coc2cc(OCc3ccccc3)ccc2c1=O 934291 KLFPCSUNEOMOTK-UHFFFAOYSA-N 358.393 5.048 0 50 FKAA biogenic CCc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 1139854 QJSYFIZYWDKWHM-UHFFFAOYSA-N 354.302 5.428 0 50 FKAA CCC(CC)c1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 2735993 GTCGRZKAJAPXOD-UHFFFAOYSA-N 351.475 5.361 0 50 FKAA O=C(CSc1nccc(-c2ccc3ccccc3c2)n1)Nc1ccccc1 2805488 CCUQKFVMAIZKQS-UHFFFAOYSA-N 371.465 5.028 0 50 FKAA CCCC[C@H](CC)C(=O)Nc1cccc(NC(=O)[C@@H](CC)CCCC)c1 4652352 KIAIJJBKZOSWJY-ROUUACIJSA-N 360.542 5.996 0 50 FKAA c1ccc(Oc2cccc(CN3CCC(N4CCCCCC4)CC3)c2)cc1 4703440 ABOUIJXJWCDZLU-UHFFFAOYSA-N 364.533 5.319 0 50 FKAA Cc1cc(Cl)cc(Br)c1OC(=O)Nc1ccc(F)cc1 4795168 AULYHJBLBAGJHS-UHFFFAOYSA-N 358.594 5.161 0 50 FKAA C[C@H](CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1)c1ccccc1 12246080 OAUVIERVZXHFJM-QGZVFWFLSA-N 363.480 5.199 0 50 FKAA C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 43763825 HIAJCGFYHIANNA-CTZQGEBFSA-N 374.565 5.427 0 50 FKAA CCOC1=CC2=CC[C@@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 253499831 PFOMZLRVGKNKCE-MHLFWCDNSA-N 370.533 5.555 0 50 FKAA biogenic O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1 598193 ZEYYDOLCHFETHQ-JOCHJYFZSA-N 361.441 5.172 0 50 FKAA investigational COc1ccc(-c2nc3sc(-c4ccc(OC)cc4)nc3s2)cc1 755180 VAFUTAPLEGLTOX-UHFFFAOYSA-N 354.456 5.104 0 50 FKAA Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(F)cc1 4872660 PLELXXQKOZYOIE-UHFFFAOYSA-N 363.476 5.854 0 50 FKAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cc2ccccc2o1 5197787 MFCUGUHFYYFLRB-UHFFFAOYSA-N 370.364 5.199 0 50 FKAA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2cccc3nsnc23)o1 5697210 ZFJIGHMQVZDVKM-UHFFFAOYSA-N 369.833 5.165 0 50 FKAA CCCOc1ccc2ccccc2c1CN1CCC[C@]2(CCC[C@H]2OC)C1 1704303288 GDYMIMDAWSEFAR-DNQXCXABSA-N 367.533 5.410 0 50 FKAA COc1ccccc1NC(=O)Oc1ccc(-c2ccccc2)cc1Cl 641129 SGVTXXULOPNJNG-UHFFFAOYSA-N 353.805 5.627 0 50 FKAA COc1ccccc1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C 677498 YLLCCIBLOSOYNM-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA CCc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)cc1 756621 KDMQIHRTDPRHCJ-KRWDZBQOSA-N 352.286 5.334 0 50 FKAA CC(C)c1ccc(/C=C/C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 2096784 KRPOIWGVEHXQJX-VMPITWQZSA-N 355.306 5.157 0 50 FKAA CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=O)NC(C)(C)C 2585462 WLIVADBOJWNAPY-UHFFFAOYSA-N 368.521 6.646 0 50 FKAA Fc1ccc(CNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 2841156 SETHYPRDQMFQHT-UHFFFAOYSA-N 351.450 5.056 0 50 FKAA Fc1ccc(COc2ccc3ccccc3c2CNCc2cccnc2)cc1 4413552 HRAITMNKPPUSAL-UHFFFAOYSA-N 372.443 5.243 0 50 FKAA Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccccc4C)cc3)o2)cc1 4825853 WYDQRKWZSIJCNN-UHFFFAOYSA-N 369.424 5.273 0 50 FKAA CC(=O)Oc1c(Cl)cc(Cl)cc1/C=C/c1ccc2ccccc2n1 5065743 NFFNWAXORUMDGQ-VQHVLOKHSA-N 358.224 5.637 0 50 FKAA Cc1c(CN[C@H](C)c2cnn(-c3ccccc3)c2C)[nH]c2c(C)cccc12 11955230 XKILQMPVQRVTNH-QGZVFWFLSA-N 358.489 5.130 0 50 FKAA c1ccc(-c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2)cc1 13764047 JOWNRYWRTIYFHD-UHFFFAOYSA-N 372.471 7.078 0 50 FKAA O=C1O/C(=C\c2ccc(Br)c3ccccc23)c2ccccc21 15922356 ZPSVABHLRFCZDD-WQRHYEAKSA-N 351.199 5.271 0 50 FKAA C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 248255616 OBNLJZTZVKVCMM-ZLIFDBKOSA-N 373.374 5.433 0 50 FKAA CC(=O)Oc1ccc(OC(C)=O)c2c1[C@@H]1CCCCC1=C1CCCC[C@H]12 642090 LMPWZOZGXUOXGK-QZTJIDSGSA-N 354.446 5.163 0 50 FKAA CCOc1ccc2nc(SCC(=O)c3ccc(CC)cc3)sc2c1 716253 QJZZHRLKKDZKAR-UHFFFAOYSA-N 357.500 5.232 0 50 FKAA COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 828047 GIJBQVMTMLYIOG-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(F)c1 855959 USNGTWIJXFTREV-KKSFZXQISA-N 360.432 5.418 0 50 FKAA COc1ccc(-c2nc(=S)c3c(n2C2CCCCC2)CCCC3)cc1 1187399 WFHOBGAMAKZFAB-UHFFFAOYSA-N 354.519 5.672 0 50 FKAA Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C 2560546 BKHZQJRTFNFCTG-UHFFFAOYSA-N 352.370 6.376 0 50 FKAA Fc1ccc(COc2ccc3ccccc3c2CNCc2ccccn2)cc1 4413650 JDORPLIQXBPAAD-UHFFFAOYSA-N 372.443 5.243 0 50 FKAA O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)C1CCCCC1 4811301 SKNOUKVRXYQUMJ-UHFFFAOYSA-N 362.498 5.996 0 50 FKAA C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4811620 ZXTUUVPXCBWAAJ-ABVOBTCJSA-N 373.540 5.540 0 50 FKAA Cc1ccc2oc(-c3cc(NC(=O)/C=C/c4ccccc4)ccc3O)nc2c1 5068645 DIEPBESLUBFYEB-XYOKQWHBSA-N 370.408 5.161 0 50 FKAA C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)s1 13744573 SRLKRJYCJPIWHQ-MRVPVSSYSA-N 359.676 5.047 0 50 FKAA Cc1nn2c(C(F)(F)F)c3c(nc2c1-c1ccc(Cl)cc1)CCCC3 22276447 BWOPVWXVXBGGDV-UHFFFAOYSA-N 365.786 5.256 0 50 FKAA Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)NCc5ccccc5)(C4)C2)C3)cc1 101145662 OZVLHDOMIXNESC-AGYDLCDTSA-N 374.528 5.085 0 50 FKAA CC(C)n1ccnc1-c1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 299778232 PKKMSMBSFKKOBS-NRFANRHFSA-N 359.473 5.108 0 50 FKAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(OC)c2)cc1Cl 822815978 NSRNJIQOBHCNPJ-UHFFFAOYSA-N 374.868 5.038 0 50 FKAA CC[C@@H](NC(=O)COCCCC(C)C)c1ccccc1-c1ccccc1 1875361370 XYBZPBGZRZHQKH-JOCHJYFZSA-N 353.506 5.374 0 50 FKAA O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl 753204 PTEIICCCKUAOBH-UHFFFAOYSA-N 371.072 5.101 0 50 FKAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccccc2F)cc1 1023037 HKVJWSUWJHFGEA-FQEVSTJZSA-N 359.444 5.387 0 50 FKAA COc1ccc(-c2coc3cc4oc(=O)c5c(c4cc23)CCCC5)cc1F 1123479 GIAOYFZSDFUCCH-UHFFFAOYSA-N 364.372 5.233 0 50 FKAA CCCCOc1ccccc1Nc1ncnc2ccc(Br)cc12 1778616 BMAKIGSNVXOKKD-UHFFFAOYSA-N 372.266 5.315 0 50 FKAA COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(Cl)cc2s1 2835646 AFKNQWSCKMFKEF-UHFFFAOYSA-N 368.845 5.364 0 50 FKAA CCOc1ccc(NC(=O)Nc2ccccc2Sc2ccccc2)cc1 2858762 DWVUZEKVKPTRFB-UHFFFAOYSA-N 364.470 5.881 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)cc1 2989143 VLBPHKMEJVLFCL-JJIBRWJFSA-N 371.480 5.998 0 50 FKAA C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 2996305 PEFVJUJUUZCTIU-CYBMUJFWSA-N 354.833 5.465 0 50 FKAA O=C(Nc1ccc(F)cc1F)N1CCCCC[C@H]1c1ccc(Cl)cc1 35561789 STUDHHOYLRTZTE-SFHVURJKSA-N 364.823 5.767 0 50 FKAA CCc1ccc(NC(=O)N(C2CCCCC2)[C@@H](C)c2cccnc2)cc1 37868813 MZUFWAKJJAAQNX-KRWDZBQOSA-N 351.494 5.572 0 50 FKAA Clc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 39959755 DJYZXHAHQNCNNR-SFHVURJKSA-N 373.308 6.411 0 50 FKAA Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)cc1 43083216 OSFINBOHKSPHDQ-GOSISDBHSA-N 367.443 5.043 0 50 FKAA COc1ccc(-n2nc(-c3sc4cc(C)ccc4c3Cl)cc2N)cc1 43573948 JPOPRHOYFAWMOI-UHFFFAOYSA-N 369.877 5.307 0 50 FKAA CC(=O)c1cc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)cs1 244673708 HUGFWBFWTWUHBZ-REPLKXPHSA-N 357.494 5.309 0 50 FKAA C[C@@]12CC[C@@H](OCc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 257350494 XVAQUNQDQASSEH-HKSLGXITSA-N 366.589 7.005 0 50 FKAA O=C(Nc1ccc2c(c1)CCC2)c1sc2cc(Cl)ccc2c1Cl 659784 DXHKIHGORZMVQT-UHFFFAOYSA-N 362.281 5.949 0 50 FKAA CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 1137575 STMUTGJPZGXKIZ-UHFFFAOYSA-N 365.260 5.230 0 50 FKAA CCOc1cc(C(=O)Nc2ccc(C(C)C)cc2)cc(OCC)c1OCC 1146000 GXNXQPSGJVVIGP-UHFFFAOYSA-N 371.477 5.258 0 50 FKAA CCOc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)sc2c1 1205496 AWVSITAFOJOECP-UHFFFAOYSA-N 372.515 5.043 0 50 FKAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 1216778 PSLPSJURLGWPRB-UHFFFAOYSA-N 352.821 5.345 0 50 FKAA Cc1ccc(OCCCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 1773395 XSYSPZRAJHWBHK-UHFFFAOYSA-N 366.486 5.225 0 50 FKAA CN1c2ccc(Cl)cc2C(C)(C)[C@@]12C=Nc1c(ccc3ccccc13)O2 2170294 VODQUQTUKIYWSU-QFIPXVFZSA-N 362.860 5.712 0 50 FKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccccc1Cl 2737316 AIHVRIRPSGGXMW-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1Cl 2991797 STSFYHDYBVCICV-ZZXKWVIFSA-N 361.055 5.952 0 50 FKAA c1ccc(C2(c3ccccc3)O[C@H](C3CCCCC3)Nc3ccccc32)cc1 4185114 HMSLRBRPBZVKNB-RUZDIDTESA-N 369.508 6.327 0 50 FKAA COc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1 5060067 IFPNSRKYRUXYHX-OAQYLSRUSA-N 365.860 5.775 0 50 FKAA C[C@@H](c1ccccc1)n1c(-c2ccccc2)cc(-c2ccccc2)cc1=O 5368873 HMTATYWDQSEYST-IBGZPJMESA-N 351.449 5.792 0 50 FKAA COc1ccccc1[C@H]1CCN(Cc2ccoc2)c2ccccc2S1 11791139 QMEGEJRQLYJRDP-HXUWFJFHSA-N 351.471 5.532 0 50 FKAA FC(F)c1cc(-c2ccccc2)nc2c1c(C1CC1)nn2-c1ccccc1 20615297 CNCNVYOOQPBBKW-UHFFFAOYSA-N 361.395 5.903 0 50 FKAA CC[C@@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 334163282 NJPTZMIPNXGMBN-DYESRHJHSA-N 360.501 5.616 0 50 FKAA Cc1ccc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)cc1F 1875303875 QSOCUGIKPKAEHY-UHFFFAOYSA-N 368.408 5.626 0 50 FKAA Cc1nc(NCc2ccnc(Oc3ccccc3)c2)c2cc(C)sc2n1 1875336713 LLCDEAYQFWKMAW-UHFFFAOYSA-N 362.458 5.108 0 50 FKAA C[C@@H](NC1(c2ccc(Br)s2)CC1)c1ccc2cnccc2c1 2325827579 KNSBFHCXKZIKLP-GFCCVEGCSA-N 373.319 5.399 0 50 FKAA COc1ccc(NC(=O)Oc2c(Cl)cc(Cl)c3ccccc23)cc1 641095 ZLDJDNBKBIFGLN-UHFFFAOYSA-N 362.212 5.766 0 50 FKAA COc1cccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)c1 828375 CUOBWTUYPBFNMO-HTAPYJJXSA-N 372.468 5.287 0 50 FKAA CC(C)c1ccc(NCc2nc(-c3ccc(Cl)cc3Cl)no2)cc1 1109295 YAVGUELXGITDOD-UHFFFAOYSA-N 362.260 5.779 0 50 FKAA Cc1cc(Br)cc(C)c1NC(=O)c1cccc(Cl)c1Cl 1156604 WJVGLLFRJKSBPN-UHFFFAOYSA-N 373.077 5.625 0 50 FKAA CCOc1ccc(Nc2nc([C@]3(C)C[C@H](CC(C)C)C(=O)O3)cs2)cc1 2979758 QDLPUUJKFFWQIR-XOBRGWDASA-N 374.506 5.110 0 50 FKAA CN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)c1ccccc1 4986073 RAZSEJHXYSHZAL-NRFANRHFSA-N 369.549 5.153 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 6274814 ZPBADUMYLROSHU-JTHBVZDNSA-N 358.416 5.376 0 50 FKAA CCCCCn1cc(C(=O)Oc2ccc3cnccc3c2)c2ccccc21 95726744 NFRXBKALAWDUSI-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro CCCCCn1cc(C(=O)c2ccc(O)c3ccccc23)c2ccccc21 95803970 SVZBBFXTYNKESE-UHFFFAOYSA-N 357.453 5.921 0 50 FKAA in-vitro c1ccc(-c2cc3c(NC[C@H]4OCCc5ccccc54)ncnc3s2)cc1 2325853949 JANJWTOXALRWMP-LJQANCHMSA-N 373.481 5.084 0 50 FKAA C[C@H](NCc1cc(-c2ccccc2Cl)on1)c1coc2ccccc12 2325878207 IEECISUCAFGFHO-ZDUSSCGKSA-N 352.821 5.592 0 50 FKAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1C(F)(F)F 826639 ODILXTQDORQEFB-CABZTGNLSA-N 352.183 5.235 0 50 FKAA COc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cc1 853549 OZQVBDWRPCOUEZ-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(F)cc1 865371 FXCRQVAEJJCHHP-UHFFFAOYSA-N 350.324 5.025 0 50 FKAA Cc1ccc(CSc2nc3ccccc3n2C(=O)c2cccs2)cc1 1018968 UGIHZOYDJZCMOF-UHFFFAOYSA-N 364.495 5.387 0 50 FKAA COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccc(C)c2)n1 2401761 WUPBXDSDNVCVLO-UHFFFAOYSA-N 357.413 5.091 0 50 FKAA Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl 2568318 LKHLFUVHHXCNJH-UHFFFAOYSA-N 360.882 7.274 0 50 FKAA biogenic CC(=O)Nc1ccc(-c2nc(-c3ccccc3)nc3ccc(C)cc23)cc1 2829141 TXURCFWTEYPARH-UHFFFAOYSA-N 353.425 5.231 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C)c(C)c3)ccc21 2989991 PFOVWYVOYMXBEH-UHFFFAOYSA-N 372.468 5.449 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)NC12CC3CC(CC(C3)C1)C2 3900039 GMUBNWZFNDDJJI-UHFFFAOYSA-N 370.880 5.002 0 50 FKAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(C)cc2)s1 8769484 QWNNOJUGYHGZQI-INIZCTEOSA-N 352.463 5.032 0 50 FKAA Cc1ccc(-c2nc(CN3CCCC[C@H]3c3cccnc3)c(C)o2)s1 12439268 KURHUGHTHXIMDT-SFHVURJKSA-N 353.491 5.142 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 253534388 GFHOQCXDABGYAL-QQIDZAGHSA-N 360.538 5.166 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@H]3CC[C@]12C 257349891 SFBMPHLOQAKIBY-BOKDSARMSA-N 370.665 8.274 0 50 FKAA FC(F)(F)Oc1ccc(CCNCc2cc3ccccc3s2)cc1 1875309831 PPVXZAYOLRBOQC-UHFFFAOYSA-N 351.393 5.132 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Oc1cc(Cl)c(Cl)cc1Cl 641038 KGUKBSITAGAKSV-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA COc1ccccc1C(=O)O[C@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 992898 JSSUZVRBWTUBRP-QHCPKHFHSA-N 374.436 5.093 0 50 FKAA COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1 1110485 AHNOOEKSIRHADI-JOCHJYFZSA-N 359.469 5.473 0 50 FKAA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2F)o1 1185438 XPEOANKDTFTZAG-UHFFFAOYSA-N 364.203 5.953 0 50 FKAA COc1ccccc1NC(=O)c1cc(Nc2ccccc2)nc2ccccc12 1205395 VSOJEURMIFZTTG-UHFFFAOYSA-N 369.424 5.239 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1 1219982 KICXYCUTJIGALW-UHFFFAOYSA-N 358.466 5.453 0 50 FKAA aggregator CCCCOc1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 1777456 WTYCIDKLROTLGY-ZBJSNUHESA-N 371.480 6.045 0 50 FKAA CC(=O)c1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1 2877875 XIRRKVKDYDGORC-UHFFFAOYSA-N 373.275 5.519 0 50 FKAA CCOc1cc2oc(C(F)(F)F)c(-c3ccccc3)c(=O)c2cc1CC 2905839 STTNIPUUHPJRIU-UHFFFAOYSA-N 362.347 5.440 0 50 FKAA O=c1c2ccccc2nc(Cc2ccccc2)n1-c1cccc2ccccc12 2940756 DOYOCEKBTRQRBR-UHFFFAOYSA-N 362.432 5.130 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc(Cl)c2)on1 4881014 BGMLTKRZVTZFBN-UHFFFAOYSA-N 366.726 5.266 0 50 FKAA COc1cccc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5235419 GVCKZIWRJVVAHS-GOSISDBHSA-N 368.864 5.162 0 50 FKAA Sc1nnc(-c2ccc3ccccc3n2)n1-c1cc(Cl)cc(Cl)c1 5557509 FEVQYSDSPSYMMY-UHFFFAOYSA-N 373.268 5.078 0 50 FKAA aggregator Cc1nn2c(NCc3ccccn3)cc(C(C)(C)C)nc2c1-c1ccccc1 12374426 GHODFTLMWOCFDA-UHFFFAOYSA-N 371.488 5.009 0 50 FKAA CN(Cc1ccccn1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 55326099 DRFNUTAGVPZIJJ-UHFFFAOYSA-N 374.532 5.162 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)c(F)c1)OCc1ccccc1 90636024 REALRLKSNZHPIU-UHFFFAOYSA-N 351.377 5.153 0 50 FKAA C[C@H](CN[C@@H](CC(=O)O)c1ccsc1)Cc1ccc(C(C)(C)C)cc1 170612915 ZRYQARXVZMQVAZ-KXBFYZLASA-N 359.535 5.030 0 50 FKAA c1ccc2oc(C3CCN(Cc4ccc([C@H]5CCCCO5)o4)CC3)nc2c1 820408714 CRRQTBHTIASNAG-HXUWFJFHSA-N 366.461 5.042 0 50 FKAA Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1 1857522965 MPIJGSAWPMMKMU-UHFFFAOYSA-N 357.800 5.758 0 50 FKAA Cc1cc(C)cc(NC(=S)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)c1 2325853252 JQNTWVJCKLIQEL-HNNXBMFYSA-N 374.937 5.157 0 50 FKAA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)s1 3198498 DBPPBMMCMVRGJC-UHFFFAOYSA-N 373.684 5.026 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)c(Cl)c1 4793321 WAVNAAJFDHXDLG-UHFFFAOYSA-N 350.123 5.623 0 50 FKAA C[C@H](NC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl 13329857 BNHMYEDJUWNBFA-LBPRGKRZSA-N 359.256 6.029 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)c(Cl)c1 72119188 FRRKTROEILXEJI-UHFFFAOYSA-N 368.824 5.183 0 50 FKAA Cn1ccc(-c2nc(-c3cccs3)nn2-c2cccc(C(F)(F)F)c2)c1 1875348582 VZEXRXJYGJVIEG-UHFFFAOYSA-N 374.391 5.020 0 50 FKAA CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2Cl)noc1C 951412 XPQQCAMSXYELBM-UHFFFAOYSA-N 368.864 5.681 0 50 FKAA Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2c(C(C)C)nc3ccccc32)c1 1215465 JWGWMGIEALDTFM-SFHVURJKSA-N 366.505 5.031 0 50 FKAA Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1C 1265769 DYQFYDKCAIANEA-UHFFFAOYSA-N 360.240 6.123 0 50 FKAA CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1 2012051 JJXNVYMIYBNZQX-UHFFFAOYSA-N 368.369 6.455 0 50 FKAA in-vitro CCCCN(c1ccc2cccc(O)c2n1)c1ccc2cccc(O)c2n1 2819923 AWKZSNHJRJMXCN-UHFFFAOYSA-N 359.429 5.132 0 50 FKAA Cc1ccc(-c2noc(-c3cc(-c4ccccc4)nc4ccccc34)n2)cc1 3003293 ITBKXQHGURVPRC-UHFFFAOYSA-N 363.420 5.927 0 50 FKAA O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)c2ccc3ccccc3c2N1 3900944 ZSWQLYCNZDNMDR-KRWDZBQOSA-N 357.331 5.213 0 50 FKAA O=C(Nc1ccc(F)cc1)c1sc2ccccc2c1Br 4542599 ACVYOKLXVYVOCR-UHFFFAOYSA-N 350.212 5.055 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 44582858 CRRKVZVYZQXICQ-BWZRJFSYSA-N 358.522 5.086 0 50 FKAA biogenic,in-vitro Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H](C)CCC2=O)cc1 101943562 SMCCYOSSZVQHCK-ZLGUVYLKSA-N 368.904 6.010 0 50 FKAA Clc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1 704028 QSXAJTTZOIBNQC-UHFFFAOYSA-N 368.805 5.026 0 50 FKAA Cc1ccc(-c2oc3ccccc3c(=O)c2OCCc2ccccc2)cc1 1791318 RLCVCMGULQQURJ-UHFFFAOYSA-N 356.421 5.390 0 50 FKAA Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1F 2132546 HYRIPSZOHUDEPV-UHFFFAOYSA-N 356.224 5.239 0 50 FKAA Brc1nsc2nc(-c3ccccc3)cc(-c3ccccc3)c12 2287142 LSRLSVRGEWCVLH-UHFFFAOYSA-N 367.271 5.788 0 50 FKAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(C)cc2)C1 2558505 UPUIMRSQSHXYJT-INIZCTEOSA-N 370.562 5.110 0 50 FKAA Cc1ccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)c(C)c1 5553048 XLIOLSGWQDRJFC-JOCHJYFZSA-N 360.526 5.574 0 50 FKAA Cc1ccc(-c2cs/c(=N/Cc3ccccc3)n2-c2ccccc2)cc1 16740021 QOORWMGUXMBVCC-WCWDXBQESA-N 356.494 5.615 0 50 FKAA Cn1c(CCc2ccccc2)nnc1SCc1cccc2ccccc12 17074159 JVNIWXYEOQFSEM-UHFFFAOYSA-N 359.498 5.046 0 50 FKAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2)c1 36621112 RPBDGALRAOESBX-KRWDZBQOSA-N 359.267 5.127 0 50 FKAA Cc1cc(C)c(C[C@@H]2CCC[C@H](Cc3c(C)cc(C)cc3C)C2=O)c(C)c1 43199346 FSWAOKHXVWGTOA-ZRZAMGCNSA-N 362.557 6.308 0 50 FKAA CC(=O)Nc1c(C(=O)c2ccc(-c3ccccc3)cc2)oc2ccccc12 48564214 YOVYRRBGNSALFJ-UHFFFAOYSA-N 355.393 5.289 0 50 FKAA C[C@]12CCC[C@@H]1[C@H]1CC=C3C[C@H](OC(=O)C(F)(F)F)CC[C@]3(C)[C@@H]1CC2 254752741 OGQQARADPATKJB-HZLBELHRSA-N 370.455 5.813 0 50 FKAA Cc1nc(N[C@@H]2CCc3cc(Br)ccc32)c2cc(C)sc2n1 1875337065 RBBIVLGBLMTSEL-OAHLLOKOSA-N 374.307 5.170 0 50 FKAA CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C 608024 SBNFWQZLDJGRLK-RTWAWAEBSA-N 350.458 5.761 0 50 FKAA biogenic,world COc1ccccc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 643815 SDXMXTUBQHOBML-UHFFFAOYSA-N 351.258 5.869 0 50 FKAA Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 955194 OXGYUCORHVTEOD-UHFFFAOYSA-N 364.470 5.178 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)c3ccccc3n2)s1 994648 RXQVNWKTXPCZNA-UHFFFAOYSA-N 372.493 6.141 0 50 FKAA COc1cccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)c1 995287 OHBILUTYRDNHEX-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA CCCCCC(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 2350898 XRHRWHNIWMLQFM-UHFFFAOYSA-N 363.573 6.368 0 50 FKAA CN(C)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 4455969 SBVLLLPWPNPNFR-UHFFFAOYSA-N 365.480 5.895 0 50 FKAA CCOc1ccc(-c2nc(Nc3ccc(C(=O)OC)cc3)sc2C)cc1 4758111 QSGJGDGLZJLSFB-UHFFFAOYSA-N 368.458 5.047 0 50 FKAA CC(C)C[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN12 25582652 RWHXWHXPTJXOFU-QUCCMNQESA-N 358.844 5.395 0 50 FKAA Cc1ccccc1C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28289601 FRDGYTAVSGJTMI-UHFFFAOYSA-N 354.812 5.030 0 50 FKAA CCC[B-]1(CCC)C(NC(C)(C)C)=CC(c2ccccc2)=[N+]1c1ccccc1 195782343 DUTWSEZSYWXTDM-UHFFFAOYSA-N 374.381 6.410 0 50 FKAA Cn1c(=O)n(Cc2ccc(C3CCCCC3)cc2)c2ccc(Cl)cc21 2325864486 QAYOJXGUSUZHLD-UHFFFAOYSA-N 354.881 5.089 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 830077 SSWXAAVJIIFVNI-UHFFFAOYSA-N 360.438 5.230 0 50 FKAA Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)oc2cc1C 1058068 BPNDCQWAGNMVHJ-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA COc1cc(Nc2nc(-c3cc(C)ccc3C)cs2)c(OC)cc1Cl 1194487 CNXPWLXZUDQUQN-UHFFFAOYSA-N 374.893 5.841 0 50 FKAA CCCC[C@H](CC)COP(=O)(Oc1ccccc1)Oc1ccccc1 2039680 CGSLYBDCEGBZCG-SFHVURJKSA-N 362.406 6.486 0 50 FKAA biogenic,in-man O=C(NCC1(c2ccccc2)CCCC1)C(c1ccccc1)c1ccccc1 2294318 HDGYWRXDGRATRA-UHFFFAOYSA-N 369.508 5.447 0 50 FKAA FC(F)(F)c1ccc(-c2noc(-c3ccccc3Br)n2)cc1 2955007 QMNFXVAFAPGGMY-UHFFFAOYSA-N 369.140 5.185 0 50 FKAA CCCCc1cc(=O)oc2cc(OC(=O)c3cccs3)c(Cl)cc12 2960314 MCVHTOOWGGZAFZ-UHFFFAOYSA-N 362.834 5.070 0 50 FKAA Cc1ccc(NC(=O)c2sc3ccccc3c2Br)c(C)c1 4542596 FOYLNJNGCOYXEA-UHFFFAOYSA-N 360.276 5.533 0 50 FKAA Cc1cccc(N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1C 55543346 WSDCVDUOJOKUOG-UHFFFAOYSA-N 372.512 5.418 0 50 FKAA CC(C)=CC[C@](C)(COC(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1 216336709 JQCGXFFKAJBLMW-WUMKDDEVSA-N 368.517 5.239 0 50 FKAA O=Cc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 223835178 NUUXDUCNYZQXNU-UHFFFAOYSA-N 360.456 6.507 0 50 FKAA S=c1oc(-c2ccccc2Cl)nn1CN1CCC[C@@H]2CCCC[C@H]21 229996078 JVLNHMIJCWXZMX-XJKSGUPXSA-N 363.914 5.138 0 50 FKAA FC(F)(F)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 2325809621 PSHWLANFHIGXCT-UHFFFAOYSA-N 352.743 5.328 0 50 FKAA COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 826425 DELVZQQIUARMNW-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA Cc1cc(OCC(=O)Nc2nc(-c3ccccc3)cs2)cc(C)c1Cl 847532 IOIPCRZLOJMDGA-UHFFFAOYSA-N 372.877 5.098 0 50 FKAA O=C1C(Nc2ccccc2)=C[C@@H](c2ccccc2Cl)N1c1ccccc1 1199478 BUOWKURKBRAOQK-NRFANRHFSA-N 360.844 5.424 0 50 FKAA COc1cc(C=O)ccc1OCCCCOc1ccccc1C(C)(C)C 2983840 IURPYKNYTIPSTA-UHFFFAOYSA-N 356.462 5.043 0 50 FKAA Clc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 2989207 IBOONZUEQMHGRU-UHFFFAOYSA-N 366.251 5.908 0 50 FKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 5023671 YDCPBLOSJFNAEV-VIFPVBQESA-N 360.693 5.766 0 50 FKAA COc1ccc(C2=NN(c3ccc(C=O)cc3)[C@H](c3ccc(F)cc3)C2)cc1 5092132 RAZPSGWAVCSMCQ-QHCPKHFHSA-N 374.415 5.003 0 50 FKAA Clc1ccc(COc2ccccc2CNCc2cccnc2)c(Cl)c1 6672245 DFUJHKXJYLBJCG-UHFFFAOYSA-N 373.283 5.257 0 50 FKAA C[C@@H]1CCc2c(sc3[nH]c(=S)n(CCC4=CCCCC4)c(=O)c23)C1 17074330 QBUPAKNNNWEFTM-GFCCVEGCSA-N 360.548 5.136 0 50 FKAA CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](CC)C(=O)O 102994300 BJWBBLXGIBDIRJ-YVNCXZRQSA-N 367.574 6.003 0 50 FKAA CCCC[Sn](Br)(CCCC)CCCC 170154306 FVRKTAOFDKFAMI-UHFFFAOYSA-M 369.963 5.727 0 50 FKAA CCCC[C@@H](CC)COC[n+]1cn(Cc2ccccc2)c2ccccc21 252493606 NDTBKQCFTMMPQB-HXUWFJFHSA-N 351.514 5.168 0 50 FKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)Oc1ccc(Cl)cc1 640742 OFBGEBPKXTUREK-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA Cc1cc(=O)oc2cc(OCc3c(Cl)ccc(Cl)c3Cl)ccc12 952275 BQZXCVJKLCIWDB-UHFFFAOYSA-N 369.631 5.641 0 50 FKAA COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C)cc3)[nH]2)cc1O 1156721 BVNVQOVOPPNJOR-UHFFFAOYSA-N 356.425 5.433 0 50 FKAA COc1ccccc1NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 1160850 NKTVPNGABUKFQA-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA O=C(N1CCCc2ccccc21)N1c2ccccc2Sc2ccccc21 1174105 KUPUXLMQTLCCTA-UHFFFAOYSA-N 358.466 5.862 0 50 FKAA c1ccc(-c2cs/c(=N\C3=NC4(CCCCC4)Cc4ccccc43)[nH]2)cc1 1247279 NANIGMPIKQGTDM-UHFFFAOYSA-N 373.525 5.350 0 50 FKAA CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21 1542930 GECBBEABIDMGGL-RTBURBONSA-N 372.549 6.264 0 50 FKAA biogenic,fda CCCCN(CCCC)C[C@@H](O)Cn1c2ccccc2c2ccccc21 2318350 VMKNAVPWVKCODF-LJQANCHMSA-N 352.522 5.058 0 50 FKAA CCCCOc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 2753780 UADPFRTWIZNZLJ-UHFFFAOYSA-N 352.862 5.467 0 50 FKAA C[C@@H](NC(=O)c1ccccc1OC/C=C/c1ccccc1)c1ccccc1 2862941 ZFYUYWJXBXBQGE-YFPIXMDGSA-N 357.453 5.270 0 50 FKAA COc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(OC)c1 4427352 DWWUHMYOLSMLGC-UHFFFAOYSA-N 361.850 5.133 0 50 FKAA CC(=O)c1cccc(CN2CCC[C@H](C(=O)c3cccc4ccccc34)C2)c1 12385683 ZPOJAJDNXPYZCB-QFIPXVFZSA-N 371.480 5.137 0 50 FKAA CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(C(C)C)cc1 13325588 FUELYHHKZHTSMO-UHFFFAOYSA-N 351.519 5.689 0 50 FKAA Cc1cc(Nc2cccc(Cl)c2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798813 LSBOGNJAGCAVEF-UHFFFAOYSA-N 366.827 5.549 0 50 FKAA Cc1cc(Nc2ccccc2)nc(-c2ncc(C(F)(F)F)cc2Cl)n1 72120027 VNNUHQSXGOPBPF-UHFFFAOYSA-N 364.758 5.263 0 50 FKAA CCCC[C@@]1(O)[C@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 245296754 POFXFTVXJUYYRI-YJMUNGTFSA-N 365.561 6.046 0 50 FKAA Cc1ccccc1C[C@@H](CO)CN[C@H](c1ccc(F)cc1)C1CCCCC1 2325842116 OQEVFMVJJDSMGQ-DVECYGJZSA-N 369.524 5.196 0 50 FKAA O=c1oc2cc(OCc3ccc(F)cc3Cl)ccc2c2c1CCCC2 1177420 LKDZHOXTHQCQCS-UHFFFAOYSA-N 358.796 5.043 0 50 FKAA O=C(NC(C(F)(F)F)C(F)(F)F)N(C1CCCCC1)C1CCCCC1 1225622 MNOWNTLYHUOZTH-UHFFFAOYSA-N 374.369 5.157 0 50 FKAA biogenic COc1ccccc1C(=O)O[C@@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 2751229 JSSUZVRBWTUBRP-HSZRJFAPSA-N 374.436 5.093 0 50 FKAA COc1ccc(CNCC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4027071 HBNBFAARFWTUME-FYYLOGMGSA-N 367.533 5.164 0 50 FKAA biogenic C[C@H](N/C(=C\C(=O)N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1 5285707 RELZJOZXRBOZIZ-BXISRBSNSA-N 370.496 5.256 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF 13766076 HMMNZALKMVCHHZ-AQNSPSBUSA-N 363.561 6.464 0 50 FKAA in-vitro CC(=O)OC1=C(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]3[C@H](C)CCCC(C)C)[C@@H]2CC1 257357013 LNNIMWRQUDXYPM-QKUXRLDBSA-N 374.609 7.138 0 50 FKAA CCOc1cccc2c1NC(C)(C)c1sn(-c3ccccc3)c(=S)c1-2 984997 KDSNBNUQIOCIAZ-UHFFFAOYSA-N 368.527 5.995 0 50 FKAA CCOc1cc(C=O)cc(Cl)c1OCc1c(Cl)cccc1Cl 1053150 DGWXPSFWYVMZRZ-UHFFFAOYSA-N 359.636 5.437 0 50 FKAA CCN(CC)c1ccc(NC(=O)CSc2ccc(Cl)cc2)c(C)c1 1121760 CIPHGINGZQDOTH-UHFFFAOYSA-N 362.926 5.225 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1Cl 1143874 WQTDMFIKPJUCBO-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 1543237 DWFZBUWUXWZWKD-UHFFFAOYSA-N 364.942 5.242 0 50 FKAA biogenic,in-vitro CC(C)(C)c1ccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)cc1 2322064 CCUQHHNPNHXMDU-UHFFFAOYSA-N 370.453 5.286 0 50 FKAA CCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc12 2578218 YAOANGHVRCQWAH-UHFFFAOYSA-N 367.876 6.211 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(C)cc1 2980839 NRBMGBDITADSHF-UHFFFAOYSA-N 350.487 5.632 0 50 FKAA O=C(/C=C/c1sc2ccccc2c1Br)Nc1ccccc1 4542799 XVQVGNAIYWHVTI-ZHACJKMWSA-N 358.260 5.316 0 50 FKAA CC[C@H]1CCCCN1Cc1nc(C(c2ccccc2)c2ccccc2)no1 12315431 QTFSIXPHZOCLMZ-FQEVSTJZSA-N 361.489 5.014 0 50 FKAA CCCCc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 13329901 ZCCXVALAFKMYIL-CYBMUJFWSA-N 365.304 6.219 0 50 FKAA COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1cccs1)C2 15071232 UAUXKJQTOMXPLK-UHFFFAOYSA-N 365.498 5.127 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(C)[C@@H]3CC[C@]12C 256990238 YWHWYTRNKBGSRE-LIMLEHFYSA-N 370.665 8.418 0 50 FKAA COc1ccccc1-c1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1 2325770824 GPVVHLAJDSWERW-UHFFFAOYSA-N 368.436 5.610 0 50 FKAA Fc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccccc4)c3n2)cc1 1414066 UHYSWOAOAKWJJD-UHFFFAOYSA-N 357.310 5.221 0 50 FKAA CCc1ccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 1773486 RUWZPKOLIFBKTA-UHFFFAOYSA-N 366.505 5.037 0 50 FKAA aggregator CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4F)c3)nc2c1 2929899 KRTGDAANCJKIFE-UHFFFAOYSA-N 374.415 6.010 0 50 FKAA COc1ccccc1[C@H]1CC(c2cccs2)=NN1c1ccc(F)cc1 4644675 WZWACNNZODLADL-GOSISDBHSA-N 352.434 5.252 0 50 FKAA c1ccc(COc2cccc(CN3CCCC[C@@H]3c3cccnc3)c2)cc1 4982704 HJAVYFOXCQXYAV-XMMPIXPASA-N 358.485 5.388 0 50 FKAA Cc1ccc2nc(-c3ccc(Cl)cc3)c(C)c(C(=O)N3CCCC3)c2c1 5048605 JNUILSOJGLZJEI-UHFFFAOYSA-N 364.876 5.408 0 50 FKAA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2cccc(C)c2C)c1C 8571155 DCEGERCLUDNUAR-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA Clc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2479094 NDDBGTPNTLNGDB-UHFFFAOYSA-N 355.677 6.514 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(C(C)(C)C)cc3)nc12 2526061 HUBDTESIVRBGJC-UHFFFAOYSA-N 353.849 5.859 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 4532324 GFHOQCXDABGYAL-QXHJQOOMSA-N 360.538 5.166 0 50 FKAA O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccccc21 409413987 YFILYBWASDEPEV-JOCHJYFZSA-N 371.484 5.166 0 50 FKAA biogenic O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 653034 SDJUYLORCDWAOA-CHWSQXEVSA-N 357.734 5.240 0 50 FKAA COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12 953393 TZQZSQGXGVMWTN-UHFFFAOYSA-N 353.421 5.768 0 50 FKAA O=C(Nc1cccc2cccnc12)c1ccc(COc2ccccc2)cc1 1141142 SXGCTZFWNTWJIB-UHFFFAOYSA-N 354.409 5.066 0 50 FKAA O=C(Nc1cccc2ccccc12)c1ccc(C(=O)c2ccccc2)cc1 1225911 ZNRWVPFIYLWDRP-UHFFFAOYSA-N 351.405 5.323 0 50 FKAA O=C(Nc1cccc(CCc2ccccn2)c1)c1ccccc1C(F)(F)F 4624044 MZDVGVDYEBAJTG-UHFFFAOYSA-N 370.374 5.138 0 50 FKAA Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1Cl 13329919 UDQASPBCYCQTTG-SNVBAGLBSA-N 357.668 5.838 0 50 FKAA C[C@@H](c1ccco1)N(C(=O)C12C[C@H]3C[C@@H](CC(C)(C3)C1)C2)c1ccccn1 169308451 ZHZNDVBTGVLLRG-BZOBZEAMSA-N 364.489 5.375 0 50 FKAA C[Si](C)(C)C(=C=CC=C=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C 169817011 ZGRFZWDBHVXKJG-UHFFFAOYSA-N 366.846 6.659 0 50 FKAA Cc1cc(Br)c(OC(=O)Nc2ccc(Cl)cc2C)cc1C 640858 RCXCNCUTOVEAPE-UHFFFAOYSA-N 368.658 5.639 0 50 FKAA O=C(NCc1ccc(Cl)cc1)[C@@H](Sc1ccccc1)c1ccccc1 668751 WWWHGGCIDYSLER-FQEVSTJZSA-N 367.901 5.490 0 50 FKAA CCc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 853532 COSUZQCWVJCKLS-UHFFFAOYSA-N 350.270 6.023 0 50 FKAA O=C(Nc1ccccc1N1CCCC1)c1sc2ccccc2c1Cl 1096055 QNNKKCJPWNASAE-UHFFFAOYSA-N 356.878 5.407 0 50 FKAA CC(C)Oc1ccc([C@H](CC(=O)N2CCCCC2)Cc2ccccc2)cc1 1322763 ZPDOTIBMUNDXKH-QFIPXVFZSA-N 365.517 5.203 0 50 FKAA biogenic COC(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 1397297 IKTYUZTWUPURQS-UHFFFAOYSA-N 363.360 5.283 0 50 FKAA Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 1840940 ZGRZAKRILHCXJJ-UHFFFAOYSA-N 372.493 5.295 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 2061839 RIBGWFQFVTYNRZ-UHFFFAOYSA-N 355.787 5.909 0 50 FKAA Cc1nn(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1Cl 2795328 CLJLHVLCDQBHGE-UHFFFAOYSA-N 371.893 5.025 0 50 FKAA COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 4931608 PJIWNIVXEPPPQM-JOCHJYFZSA-N 362.860 5.704 0 50 FKAA Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 20616247 KVHISEDICXVXCS-UHFFFAOYSA-N 370.836 5.085 0 50 FKAA COc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 34462191 DNKXVYVXQUNHPL-UHFFFAOYSA-N 362.472 6.703 0 50 FKAA O=C(Nc1ccc(F)cc1)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 1875305548 DXNNWIORPIUTKY-KRWDZBQOSA-N 366.358 5.604 0 50 FKAA O=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1 642116 WZNIXQCNMVOKMA-UHFFFAOYSA-N 364.289 5.034 0 50 FKAA biogenic CCOc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3ccccc3n2)cc1 1201022 PMSLQLBBXNULQY-QGZVFWFLSA-N 374.484 5.173 0 50 FKAA CCc1cccc(CC)c1NC(=O)c1ccccc1Nc1ccccc1OC 2812376 VNZCXXHMEFWRAF-UHFFFAOYSA-N 374.484 5.816 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccccc1)O2 4281986 VFFURTPDJYYADZ-FXAWDEMLSA-N 366.873 5.644 0 50 FKAA Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 5296013 CGJLHFFVZYDXEY-FOCLMDBBSA-N 366.464 5.118 0 50 FKAA CC(C)CCC[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320408 WEQVZHSISLIJIK-LLVKDONJSA-N 350.812 5.695 0 50 FKAA CCC[C@@H]1C=CCN1C(=O)c1cccc(-c2ccc(OC)c3ncccc23)c1 534676157 WQFUPMJCQGLWKV-LJQANCHMSA-N 372.468 5.091 0 50 FKAA Cc1cc(=O)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12 622113 ZGPAVSFWWIHYMY-UHFFFAOYSA-N 372.420 5.259 0 50 FKAA biogenic Clc1ccc(-c2csc3ncnc(-n4cnc5ccccc54)c23)cc1 633152 WJGJIKUKZHTGSB-UHFFFAOYSA-N 362.845 5.351 0 50 FKAA O=C(Nc1ccccc1Cl)Nc1cc(Cl)c(Cl)cc1Cl 640961 XNGYRELYNSUHLL-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Clc1ccc2nc(SCc3csc(Nc4ccccc4)n3)oc2c1 645803 SUHQMIWZGGIZCW-UHFFFAOYSA-N 373.890 5.974 0 50 FKAA Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2ncnn21 1111532 NYTZSXXJKUORDH-IAGOWNOFSA-N 359.260 5.040 0 50 FKAA Cc1ccc(SCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1115012 GTBQMJXXHVMYST-UHFFFAOYSA-N 373.827 5.788 0 50 FKAA COc1cccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c1 1184500 SHVBDNXUIRWITB-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA biogenic CCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 1748743 GPDJXLBSCKINTB-UHFFFAOYSA-N 374.465 5.614 0 50 FKAA CC(C)Oc1ccc([C@@H](CCNCc2ccco2)Cc2ccccc2)cc1 2249858 OMSFJRRITYQMGV-QFIPXVFZSA-N 363.501 5.573 0 50 FKAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1 2767351 BBQAHDNMEIHIPI-UHFFFAOYSA-N 374.271 5.107 0 50 FKAA CC(C)c1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 2835459 HAOYHYCFJMVBRZ-UHFFFAOYSA-N 360.866 5.091 0 50 FKAA Cc1c(NC(=O)CCc2ccccc2)cccc1-c1nc2ccccc2o1 2843785 YIYPKKNCJDNHLQ-UHFFFAOYSA-N 356.425 5.375 0 50 FKAA COc1ccc(C(=O)CCNc2ccc(Cl)c(C(F)(F)F)c2)cc1 2877257 YKUKMDRLQPFBDN-UHFFFAOYSA-N 357.759 5.052 0 50 FKAA C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2981941 FKYRHUYILIYRIQ-JTQLQIEISA-N 359.800 5.478 0 50 FKAA C[C@@H](OC(=O)Nc1cccc2ccccc12)C(F)(F)[C@@H](F)C(F)(F)F 5722882 UEVPXDBUNGSYOL-NOZJJQNGSA-N 365.273 5.313 0 50 FKAA CCc1ccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1 20603118 ZXYQAKPSENGPDM-UHFFFAOYSA-N 367.374 5.727 0 50 FKAA Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)c1 36621113 RPBDGALRAOESBX-QGZVFWFLSA-N 359.267 5.127 0 50 FKAA Clc1ccc([C@H]2CN(c3ccc4cc(Cl)ccc4n3)CCO2)cc1 71755410 OKNGOKRLUWYPFD-GOSISDBHSA-N 359.256 5.120 0 50 FKAA CCC[C@H](O)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1 72439859 CNAFDMDVDSBZCC-NRFANRHFSA-N 372.472 5.071 0 50 FKAA COCCOc1ccc(Oc2cc(-c3ccc(C)cc3)cc(Cl)n2)cc1 225519236 AZZCKXJACCJKIB-UHFFFAOYSA-N 369.848 5.528 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 248024716 KVYUHOPVUTYJPS-SFUZCSOBSA-N 361.460 5.125 0 50 FKAA O=C(NCc1cccc(Cl)c1)c1cc(-c2ccco2)nc2ccccc12 1874067650 YKDFPXSXZBYGLB-UHFFFAOYSA-N 362.816 5.078 0 50 FKAA O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Cl)c2ccccc12 2325879188 LKPSVWGZMGABHX-UHFFFAOYSA-N 367.857 5.447 0 50 FKAA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(C)c(C)c1 675950 WTYPOJUEKHHXSD-UHFFFAOYSA-N 369.442 5.054 0 50 FKAA CCC(=O)Nc1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)ccc1C 1136197 FFLWEMQUBWTFAA-UHFFFAOYSA-N 366.244 5.007 0 50 FKAA CC(C)(C)c1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 2521031 WYJDPUJUIIDCPU-UHFFFAOYSA-N 350.289 5.976 0 50 FKAA CC(C)(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)C2)cc(C(C)(C)C)c1 2813353 YKTMYOXHJCKYBO-IBGZPJMESA-N 363.545 5.911 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)NCCSC1CCCCC1 2813917 OLJVPSIUVVBUIJ-UHFFFAOYSA-N 357.972 5.004 0 50 FKAA c1ccc(COc2ccc(OCCCCn3cnc4ccccc43)cc2)cc1 5048959 OGQIEPQHJDGRCB-UHFFFAOYSA-N 372.468 5.475 0 50 FKAA Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1F 20616112 NKGRPGJNORPAKI-UHFFFAOYSA-N 365.433 5.095 0 50 FKAA C/C(O)=C/[C@@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 102278126 ODABPDYNCJGXFG-QWKSHVCESA-N 354.837 5.062 0 50 FKAA COc1ccc(N=c2nc(-c3ccccc3)n(-c3ccc(C)cc3)s2)cc1 254365369 XXGUKQQXCNUTEL-UHFFFAOYSA-N 373.481 5.150 0 50 FKAA CC(C)[C@H](OC(=O)c1ccccc1C(=O)O)[C@H](c1ccccc1)C(C)C 640345 CRQCSBYENVXPFS-PMACEKPBSA-N 354.446 5.006 0 50 FKAA CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)cc2)cc1 1143449 UYECTAJPTSJTGQ-UHFFFAOYSA-N 373.452 5.337 0 50 FKAA CO[C@@H](C(=O)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 1150782 QSDCHWBAJZHXGN-OAQYLSRUSA-N 363.482 5.305 0 50 FKAA Cc1cc(C)c(NC(=O)CCCOc2ccc(Cl)cc2)c(Cl)c1 1910525 MLZXEEGEDOCIBS-UHFFFAOYSA-N 352.261 5.408 0 50 FKAA COc1cc(NC(=O)Nc2cccc3ccccc23)c(OC)cc1Cl 2764730 IUGMQEZEBSVZLZ-UHFFFAOYSA-N 356.809 5.154 0 50 FKAA O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1Cl 4542089 MIGLOBDZKKYFQI-ZRDIBKRKSA-N 358.224 5.905 0 50 FKAA COc1ccc(C)cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542953 ZUXQVHJRWYUPFH-FMIVXFBMSA-N 367.832 5.569 0 50 FKAA Cc1ccc(NC(Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)c(C)c1 71770459 YKNWUGBRFUDKIB-UHFFFAOYSA-N 371.739 6.141 0 50 FKAA Cc1ccn2c(NC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)nc2c1 631759 JXOISRNEWALRGC-UHFFFAOYSA-N 361.832 5.215 0 50 FKAA Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)c(C)c2)cc1C 695629 ZWVYDWHSBGMGJQ-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA O=C(NCCC1=CCCCC1)c1cc(-c2ccccc2)nc2ccccc12 1160182 WRYLRKZRESNVPH-UHFFFAOYSA-N 356.469 5.522 0 50 FKAA Cc1cc(Br)ccc1NC(=O)c1cccc(C(F)(F)F)c1 1162342 ZOYFUIFDFQPDBO-UHFFFAOYSA-N 358.157 5.029 0 50 FKAA Cc1ccc2c(Cl)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 1200751 DIUPGWMKYDNBFC-UHFFFAOYSA-N 369.795 6.134 0 50 FKAA CC(C)Nc1nc(Oc2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)n1 1396752 VKCWHSBNGGVPBN-UHFFFAOYSA-N 366.170 5.415 0 50 FKAA C[C@@H]1CCc2c(sc3ncnc(SCc4ccccc4Cl)c23)C1 1778560 ZNHVPSUSKICTBY-LLVKDONJSA-N 360.935 5.762 0 50 FKAA COc1cc(C)ccc1OCCCCOc1cccc(C(F)(F)F)c1 4701974 TXSNSEZNFKQNPL-UHFFFAOYSA-N 354.368 5.260 0 50 FKAA CCCC[C@@H](CC)Cc1cc(Br)sc1Br 95093185 DFUZDCATNROZQR-SECBINFHSA-N 354.151 6.032 0 50 FKAA CCOc1ccc(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@H]3C2)cc1 248154484 CSPXHFCMQHBXSF-IRLDBZIGSA-N 350.462 5.001 0 50 FKAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348161 BUIQHUBDLNDWCY-SLLBGGHUSA-N 354.481 5.596 0 50 FKAA COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)cc1 1157454 IXRQKYMRQWFZRH-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA O=C(Nc1ccc2ccccc2c1)c1cccc(NC(=O)c2cccs2)c1 1188414 YIWWMUGQWQPQJK-UHFFFAOYSA-N 372.449 5.406 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 2816135 KURGVKCHBFOSBV-UONOGXRCSA-N 374.189 5.231 0 50 FKAA CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3ccccc3)c12 2837141 LAFMTKKKOXGZQN-UHFFFAOYSA-N 361.363 5.028 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1-c1ccccc1 2844448 SFJGJRYNBJSNIZ-UHFFFAOYSA-N 364.448 6.350 0 50 FKAA CCN(CC)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2857498 HPCAHWWGRSSBRZ-UHFFFAOYSA-N 374.484 5.217 0 50 FKAA O=C1OC2(c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c2ccccc21 4257603 LNBKJWCRFAZVLK-UHFFFAOYSA-N 369.203 5.561 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1 13616513 KIXCOVXKIPOHMD-GMAHTHKFSA-N 362.473 5.145 0 50 FKAA Cc1ccc(C(C)(C)C[C@@H](C)N[C@H](Cc2ccccc2)c2ccccc2)o1 16677707 FXSBMZUIPOWPDA-AUSIDOKSSA-N 361.529 6.218 0 50 FKAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 101309064 KTTNDFBJUZZYFH-MGPUTAFESA-N 358.869 5.036 0 50 FKAA COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@H]2[C@H]3c2ccccc2)cc1 254816549 IAPNQZCYNPAEIU-FOMDFCNTSA-N 374.871 5.276 0 50 FKAA O=C(c1cc(-c2ccc3sc4ccccc4c3c2)c[nH]1)N1CCCCC1 1506420545 IJRHQJMEACBRLM-UHFFFAOYSA-N 360.482 5.676 0 50 FKAA CC(C)(C)CC(C)(C)c1ccc(OCc2ncc(C3CCCCC3)o2)cc1 1875343011 CKOOTKDOHNGFCI-UHFFFAOYSA-N 369.549 7.015 0 50 FKAA O=C(C[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCCCC1=O)c1ccccc1 624342 DAMIZTLQFWGOES-LEWJYISDSA-N 368.904 6.236 0 50 FKAA O=C(c1c(Cl)cccc1Cl)[C@@H](O)c1c(Cl)cccc1Cl 641929 SYVSGJRUIYIBRO-ZDUSSCGKSA-N 350.028 5.217 0 50 FKAA O=c1c2ccccc2nc(-c2cccs2)n1-c1cccc2ccccc12 754001 MBSNOWWSXYAQOH-UHFFFAOYSA-N 354.434 5.267 0 50 FKAA aggregator Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 756531 GDGIXKWOJJMLNP-UHFFFAOYSA-N 351.453 5.606 0 50 FKAA biogenic C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 849839 BTESNZZMSZYEQD-UTKZUKDTSA-N 357.457 5.671 0 50 FKAA Cc1ccccc1-c1cc(C(=O)NCCC2=CCCCC2)c2ccccc2n1 1112937 FWIRIKKQJXFVTG-UHFFFAOYSA-N 370.496 5.831 0 50 FKAA CN(C(=O)Oc1ccc2cc(Br)ccc2c1)c1ccccc1 1167240 KWPPTZVLJFDSQN-UHFFFAOYSA-N 356.219 5.238 0 50 FKAA Clc1ccc(-c2nc(-c3ccc(Br)o3)no2)c(Cl)c1 1444569 KIHURILVIFYYNY-UHFFFAOYSA-N 359.994 5.066 0 50 FKAA CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1ccc1ccccc21 2887141 DIIYXWOXPMIZPE-LJQANCHMSA-N 361.441 5.111 0 50 FKAA CC(C)(C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 4948867 OYHKPLYXZITJGG-UHFFFAOYSA-N 374.553 5.241 0 50 FKAA biogenic CCc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 8086598 PUBFIACMPTTYDM-UHFFFAOYSA-N 362.477 5.063 0 50 FKAA C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@]12C 257348556 GXQXPGFEGWVXMR-UGFWYJKCSA-N 360.582 5.191 0 50 FKAA CC(C)c1nnc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)s1 834555504 YSZMYJXBBHUKBM-SFHVURJKSA-N 373.909 5.009 0 50 FKAA C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)OC[C@@H]1CCC(C)(C)C1 1875342879 LLWCVJDMCOOLOL-IAGOWNOFSA-N 367.489 5.214 0 50 FKAA O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1 596951 LMPZHLXYBWGGNT-UHFFFAOYSA-N 370.408 5.256 0 50 FKAA aggregator,biogenic,investigational O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1cc2ccccc2o1 1076266 ROZOAHTYQFVLTA-UHFFFAOYSA-N 359.429 5.540 0 50 FKAA Cc1ccccc1CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1148702 IYJLJEJCDLFKQQ-UHFFFAOYSA-N 373.827 5.539 0 50 FKAA CCc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2CC)cc1 1230849 HXJSRCOTPDEOLB-UHFFFAOYSA-N 372.468 5.316 0 50 FKAA O=c1c(-c2ccccc2)coc2cc(OCc3ccccc3Cl)ccc12 1891753 JCGOWQPOXXQEOZ-UHFFFAOYSA-N 362.812 5.692 0 50 FKAA biogenic CCc1cc2c(=O)c(-c3ccc(F)cc3)coc2cc1OCc1ccccc1 2581662 DBOXJVAJMBFYPH-UHFFFAOYSA-N 374.411 5.741 0 50 FKAA CC(=O)c1ccc2ccccc2c1OC(=O)c1ccc(-c2ccccc2)cc1 2937720 BZFPYLKLCIFAOV-UHFFFAOYSA-N 366.416 5.929 0 50 FKAA Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4247980 JTOGDMHNTGWQLL-PXNSSMCTSA-N 350.418 5.130 0 50 FKAA Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2)c(C)n1 426502984 NAKFKQDACUGDAP-QHCPKHFHSA-N 371.484 5.128 0 50 FKAA Fc1ccc(Cl)c(COc2cccc3onc(Nc4cccnc4)c23)c1 1772768864 VZWFUUUUCXTDJT-UHFFFAOYSA-N 369.783 5.338 0 50 FKAA Cc1ccc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccn2)cc1 1857799070 MLUCNDJWDJQBIZ-UHFFFAOYSA-N 358.485 5.535 0 50 FKAA Cc1cc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccn2)n1 1875287849 CKHBSUGHKAYQMI-UHFFFAOYSA-N 361.392 5.158 0 50 FKAA O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1cccc(Cl)c1Cl 1382565 ZWDBAALBJOVCLR-UHFFFAOYSA-N 350.632 5.873 0 50 FKAA CC(C)c1cc(C(C)C)c(NC(=O)C[C@@H](C)c2ccccc2)c(C(C)C)c1 2963321 IPAXESYTGDRBAL-LJQANCHMSA-N 365.561 7.189 0 50 FKAA COc1cc(C=O)ccc1OCCCCOc1cc(Cl)ccc1Cl 2991239 JSMHAURQFMYHPC-UHFFFAOYSA-N 369.244 5.053 0 50 FKAA Cc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)cs3)n2)cc1 3227825 DRVZXZHARHVFEW-UHFFFAOYSA-N 362.523 6.141 0 50 FKAA Cc1[nH]c2ccccc2c1C(c1cccc(O)c1)c1c(C)[nH]c2ccccc12 4183550 LSWKKKMWMNJUCR-UHFFFAOYSA-N 366.464 6.152 0 50 FKAA Clc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3cccs3)C2)cc1 4718911 JWSJAFRPNCQMTG-SFHVURJKSA-N 373.308 6.411 0 50 FKAA CCCCOc1ccc(Nc2cc(C)nc3ccc(C(=O)OC)cc23)cc1 5808066 LKZZACQNQRWEKL-UHFFFAOYSA-N 364.445 5.252 0 50 FKAA C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 13616307 DNSNAOJLRSTWPF-GGAORHGYSA-N 374.871 5.756 0 50 FKAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccccc1)[C@@H]2O 229906856 XBBFULYUUHIPON-VRTREOETSA-N 374.524 5.606 0 50 FKAA CN(C)Cc1ccc([C@H]2CCCN2Cc2ccccc2C(F)(F)F)cc1 1506422394 QVDTWIBQMREAKP-HXUWFJFHSA-N 362.439 5.104 0 50 FKAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1Cl 671464 NOZVCTRQGKNSMH-UHFFFAOYSA-N 371.845 5.107 0 50 FKAA C[C@@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccccc1 685746 DKEMHOQZSLURFW-SNVBAGLBSA-N 350.270 5.699 0 50 FKAA O=c1cc(-c2ccccc2)c2cc3c(-c4ccc(Cl)cc4)coc3cc2o1 2151427 FIIKFLHGFUYOGA-UHFFFAOYSA-N 372.807 6.527 0 50 FKAA biogenic COc1cc(C=O)ccc1OCCCCOc1ccc(Cl)cc1Cl 2985350 LGDYVHNXDITNDJ-UHFFFAOYSA-N 369.244 5.053 0 50 FKAA Cc1ccccc1OCCn1c(/C=C/c2ccccc2)nc2ccccc21 4872955 SZMXKBAWSJYOMN-FOCLMDBBSA-N 354.453 5.594 0 50 FKAA O=c1c2c([nH]c(=S)n1CC1CCCC1)-c1ccccc1CC21CCCC1 18137018 FXCHRXLLPCVLDE-UHFFFAOYSA-N 366.530 5.131 0 50 FKAA OC1/C(=C/c2ccccc2)CN(Cc2ccccc2)C/C1=C\c1ccccc1 63111070 KEQFHIMMIJJNJC-MUPYBJATSA-N 367.492 5.030 0 50 FKAA COc1ccccc1-c1cccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c1 223464168 FPCKNXOMXNSWPY-OAQYLSRUSA-N 361.416 5.089 0 50 FKAA C1=CC2=CC[C@@]34C2=C(C1)CPCc1cccc(c13)C[C@@H]4c1ccccc1 263584564 WNSOXOMTYBAEBG-RCZVLFRGSA-N 354.433 6.043 0 50 FKAA Cc1cc(-c2ccc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2)cs1 584885859 BHJFDRZMDGZGGG-NRFANRHFSA-N 362.498 5.486 0 50 FKAA CO[C@@H]1CCC[C@]12CCCN(CCCC(=O)c1ccc(C(C)(C)C)cc1)C2 1704338420 UKYCLRPREOJNIP-ISKFKSNPSA-N 371.565 5.228 0 50 FKAA Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cc1Cl 1875316312 ICWLOYJZSSYGNY-UHFFFAOYSA-N 370.905 5.053 0 50 FKAA c1ccc(CN(Cc2ncc(C3CCCCC3)o2)CC2CCOCC2)cc1 1875356433 KCBDUPZVVCMZCI-UHFFFAOYSA-N 368.521 5.151 0 50 FKAA CCOc1ccc(OCc2ccc(C(=O)NC3CCCCCC3)cc2)cc1 673112 SGMHFFBZTYNTGX-UHFFFAOYSA-N 367.489 5.117 0 50 FKAA CC(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1150468 UWZFRPSWIMXPQE-UHFFFAOYSA-N 361.441 5.620 0 50 FKAA Cc1nn2cc(-c3ccc(Br)cc3)cc2c2c(C)n(C)c(C)c12 1162215 NCZJYJVSHXSNRF-UHFFFAOYSA-N 368.278 5.181 0 50 FKAA O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccco1 1201608 HWIRJERTXVNGQO-UHFFFAOYSA-N 356.740 5.133 0 50 FKAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc2ccccc2o1 1204086 UMYZOXNSCXSBQO-UHFFFAOYSA-N 367.408 5.537 0 50 FKAA Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 2841687 HPOYLKZIOCSISE-UHFFFAOYSA-N 371.889 5.044 0 50 FKAA OC(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1 4798587 HTXTXELFZSOIGS-UHFFFAOYSA-N 352.433 5.763 0 50 FKAA O=C(NCCCc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 13320405 MCTBQXUIKJIUNQ-UHFFFAOYSA-N 356.775 5.113 0 50 FKAA O=c1c2ccccc2[nH]c(=S)n1CCC(c1ccccc1)c1ccccc1 17076333 FOLAQGAMETVQSJ-UHFFFAOYSA-N 372.493 5.281 0 50 FKAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 18243878 TXGFFHXMIVTPQM-UPRAQXHNSA-N 369.848 5.058 0 50 FKAA Cc1cc(C)cc(NC(=O)[C@@H]2[C@@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c1 252327530 NXNYJRGLJXXUIN-MTSZKFMLSA-N 352.305 5.098 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 252612681 IUOVUHKJLLXHLL-QNRNLVPOSA-N 364.316 6.261 0 50 FKAA O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccc1 639238 FNRKLVHYYSRLHG-UHFFFAOYSA-N 356.450 5.729 0 50 FKAA CCOc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(C)ccc2C)c1 1062209 JKYQJGMEONBEPX-QHCPKHFHSA-N 359.469 5.222 0 50 FKAA Oc1csc(Cc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 1395308 HUDJKFFBDIVTLK-UHFFFAOYSA-N 350.468 5.230 0 50 FKAA CC(=O)c1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 2742254 WKRLZHKGMADITE-OAQYLSRUSA-N 361.466 5.361 0 50 FKAA COc1ccc(C(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 2751342 TVPSXSVWGRDNEZ-QHCPKHFHSA-N 374.436 5.093 0 50 FKAA CCCCN(CCCC)C(=O)c1ccccc1NC(=O)c1ccc(C)cc1 2943435 HJVHDNMLCFBVFX-UHFFFAOYSA-N 366.505 5.290 0 50 FKAA CCc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 2998793 GLBZRJSCHSRUPR-UHFFFAOYSA-N 372.877 5.043 0 50 FKAA COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)cc1OC 15867007 XRFCNFTXEOBHNQ-MRXNPFEDSA-N 374.506 5.223 0 50 FKAA Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cn1 245239470 JHTFPRFKUMCPIU-SGCMGGBKSA-N 368.565 5.207 0 50 FKAA Cc1nc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nc2c1CCCC2 1111550 QJCHPGSFVSMSDN-JOCHJYFZSA-N 374.509 5.380 0 50 FKAA CC(=O)Nc1cc(C(F)(F)F)ccc1Sc1nc2ccccc2s1 2841185 HOOCOVDVMWWPBQ-UHFFFAOYSA-N 368.405 5.425 0 50 FKAA Clc1ccc([C@@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 2998434 OHCIKJXWWBCPOF-IBGZPJMESA-N 350.874 6.098 0 50 FKAA Oc1ccc2c(c1)C1(c3cc(O)ccc3O2)c2ccccc2-c2ccccc21 4718781 GYSQGMRKCZPWHK-UHFFFAOYSA-N 364.400 5.567 0 50 FKAA Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 5716157 NACOUHZWWIXOGK-YLJYHZDGSA-N 368.795 5.314 0 50 FKAA Cc1sc(NC(=O)/C=C/c2ccccc2F)nc1-c1ccc(F)cc1 6825234 HGXKXHNTHVXARE-DHZHZOJOSA-N 356.397 5.049 0 50 FKAA c1ccc(Nc2ncc(CN3CCCC[C@H]3c3nccs3)s2)cc1 23232200 HZSGOFQSYLBACF-INIZCTEOSA-N 356.520 5.070 0 50 FKAA Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1 35874305 GOLXNESZZPUPJE-UHFFFAOYSA-N 370.489 5.172 0 50 FKAA biogenic,in-vitro CC(C)[C@@H]1CC[C@]2(C)CO[C@H]([C@H]3CC(=O)[C@]4(C)CC[C@H]5[C@H](C)CC[C@@]534)[C@H]12 71786097 LHWJUJBEAYNUQJ-HXMWWVDMSA-N 358.566 5.495 0 50 FKAA CCCOc1ccc(Cl)cc1NCc1csc([C@H]2CCCO2)n1 134825745 ZUEXAEDJDQNSLR-MRXNPFEDSA-N 352.887 5.049 0 50 FKAA CCOc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 1773498 QIIQRBZLGWMEAN-UHFFFAOYSA-N 355.478 5.181 0 50 FKAA Cc1c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)oc2ccccc12 2510413 ILVSGXQMLFJSJS-UHFFFAOYSA-N 352.390 5.256 0 50 FKAA Cc1ccc2nc(-c3ccccc3)c(C)c(C(=O)Nc3ccc(F)cc3)c2c1 2868154 GVRUHTAXOPDMJB-UHFFFAOYSA-N 370.427 5.910 0 50 FKAA CCCC(=O)N1Cc2ssc(=S)c2-c2cc(OCC)ccc21 3122297 WFHXSJDQVMXKQG-UHFFFAOYSA-N 351.518 5.251 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(OC2CCCC2)c1 5536434 NWWCLUFKGHZHDL-UHFFFAOYSA-N 362.429 5.224 0 50 FKAA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(Cl)c2)C1 5902138 OUPLUKYGBHFDQS-LLVKDONJSA-N 362.926 5.387 0 50 FKAA CCC[C@@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 6870999 BKDGODYPOAQQBG-PZJWPPBQSA-N 370.880 5.408 0 50 FKAA Clc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccn2)c1 15068050 QZEURCPRIZAFPV-HSZRJFAPSA-N 373.887 5.364 0 50 FKAA CCn1ncc2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 20615851 LJSAMQOOHNFBAO-UHFFFAOYSA-N 360.166 5.444 0 50 FKAA CCc1ccc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)nc1 67540056 YEGCUOGIMSTFSI-UHFFFAOYSA-N 369.468 5.011 0 50 FKAA Cc1cccc(C)c1C(=O)Oc1ccccc1OC(=O)c1c(C)cccc1C 1857795316 FBGBBAFNVWUTAH-UHFFFAOYSA-N 374.436 5.359 0 50 FKAA CN(C(=O)[C@@H]1CC[C@@H]1c1ccccc1Cl)c1cncc2ccccc12 2325864397 NLSYAMCPJDSBJI-SJLPKXTDSA-N 350.849 5.045 0 50 FKAA C[C@H](NC1CC(c2cccc(Cl)c2)C1)c1ccc(Cl)c2ccccc12 2325870429 XWZWVUUNBSFYHF-NXVRBGIVSA-N 370.323 6.743 0 50 FKAA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(Cl)cc1 865366 ZRWKDAXSMLKKTP-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA COc1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 1110936 YRMOGENQEBKHQY-UHFFFAOYSA-N 361.319 5.226 0 50 FKAA Cc1ccccc1NC(=O)C[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 1130264 PUNFMXCECALKEK-RTWAWAEBSA-N 365.517 5.388 0 50 FKAA CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cccc2ccccc12 1195913 MAMMKIFKHNZCRB-IBGZPJMESA-N 361.470 5.226 0 50 FKAA CC(C)Oc1ccc([C@H](CCNCc2ccco2)Cc2ccccc2)cc1 2249859 OMSFJRRITYQMGV-JOCHJYFZSA-N 363.501 5.573 0 50 FKAA S=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 2431087 XBGYCKLUYNSRPK-UHFFFAOYSA-N 359.709 5.176 0 50 FKAA Cc1ccc(C)c(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 2489970 SDCWZNIAZZBQSQ-UHFFFAOYSA-N 372.493 6.963 0 50 FKAA Cc1ccc2cccc(OCCOc3ccccc3-c3ccccc3)c2n1 2824213 ZHUGXXXPDMBJCY-UHFFFAOYSA-N 355.437 5.668 0 50 FKAA CCCCOc1cccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 2875623 CAASBQZSRWMGOZ-UHFFFAOYSA-N 366.505 5.104 0 50 FKAA Cc1c(C(=O)c2ccc(Cl)c(Cl)c2)oc2c(Cl)cc(Cl)cc12 3134586 QFKHWASSUKCLPU-UHFFFAOYSA-N 374.050 6.586 0 50 FKAA Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H](C)CCC2=O)cc1 4653887 SMCCYOSSZVQHCK-MAODMQOUSA-N 368.904 6.010 0 50 FKAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nc1 6829174 RPSNQKKODDPBSA-UHFFFAOYSA-N 368.664 5.025 0 50 FKAA Cc1ccc(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)cc1 67604068 ZCHSYXJJKMPJKW-UHFFFAOYSA-N 368.436 5.002 0 50 FKAA Cc1cc(C)cc(NC(=O)C2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 101700006 NXNYJRGLJXXUIN-KLHDSHLOSA-N 352.305 5.098 0 50 FKAA Cc1noc(-c2ccccc2)c1NC(=O)N1CCCCC[C@H]1c1ccco1 155148592 FLIRXBZXDVVQED-KRWDZBQOSA-N 365.433 5.392 0 50 FKAA CN[C@@H](C)[C@@H](OB1C2CCCC(CCC2)[C@@H]1[Si](C)(C)C)c1ccccc1 170161044 ZOZYQBFBLCMBTA-JRPFUZFTSA-N 371.450 5.946 0 50 FKAA O=C(NC1CCCC1)[C@@H](Sc1ccc2ccccc2n1)c1ccccc1 334163473 UFSBVSPCFSGYMW-NRFANRHFSA-N 362.498 5.127 0 50 FKAA Cc1cc(Oc2ccc(CN[C@H](C)C(F)(F)F)c(Cl)c2)ccc1F 1875357132 ZOGGNTHGGFUIMP-LLVKDONJSA-N 361.766 5.620 0 50 FKAA Cc1cc(C)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1 632193 JUWBSHCBWPOWPU-UHFFFAOYSA-N 354.866 5.123 0 50 FKAA CC(C)n1c([C@@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 860994 KYNDGBJXBYHZFQ-QHCPKHFHSA-N 372.468 5.278 0 50 FKAA O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(Cl)cc1 1230692 OOWVNWGMIJCLAJ-UHFFFAOYSA-N 369.298 5.334 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccccc1 2494296 CTROTENIADTQAO-GRCQMEJFSA-N 368.480 5.678 0 50 FKAA CCc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 4841794 NCLRJFMKXVSEAR-UHFFFAOYSA-N 357.413 5.013 0 50 FKAA C[C@@]12CC3CC(C(=O)Nc4c(F)c(F)cc(F)c4F)(C1)C[C@](C)(C3)C2 13959800 CLEOFNJQYFEPDU-XYESEXEOSA-N 355.375 5.178 0 50 FKAA Cc1cc(C)c(/C(O)=C(\c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1 102313106 LNKVSOCTIODPJV-QPLCGJKRSA-N 356.509 7.012 0 50 FKAA N#Cc1ccc(-c2cccc(-c3nc(Cl)nc(-c4ccccc4)n3)c2)cc1 219930160 YZKZWADGFGNZJV-UHFFFAOYSA-N 368.827 5.398 0 50 FKAA O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 797241 CIXXNERSZLWNNA-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA FC(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)n1C(F)F 1447140 YKWDGAVULOGBTM-UHFFFAOYSA-N 352.356 5.927 0 50 FKAA Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCCCC3)c(Cl)c1 1497977 PJYBUICYYNMFCO-UHFFFAOYSA-N 372.319 5.524 0 50 FKAA O=c1cc(-c2ccccc2)c2ccc(OC/C=C/c3ccccc3)cc2o1 2101834 YFTRHTQNMNWNOI-JXMROGBWSA-N 354.405 5.552 0 50 FKAA biogenic Cc1c(-c2cccs2)sc(-c2ccc(Br)s2)c1C 2519492 YSSOAELWMBIBQU-UHFFFAOYSA-N 355.347 6.584 0 50 FKAA CCCCC(=O)O[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 2605688 QMDIZEWVDJAUDA-UWJYYQICSA-N 365.473 5.209 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2816134 KURGVKCHBFOSBV-KGLIPLIRSA-N 374.189 5.231 0 50 FKAA O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc2c1CCCC2 1122557 QDOJHNQWMIVYPN-UHFFFAOYSA-N 355.481 5.726 0 50 FKAA CC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 1185115 NLOLBKIMMSBCPL-UHFFFAOYSA-N 374.223 5.708 0 50 FKAA c1ccc(N2CCN(c3ccccc3)C2c2cccc3ccccc23)cc1 1807114 OKPLTDKUAACGKK-UHFFFAOYSA-N 350.465 5.865 0 50 FKAA O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 2209541 KHRPMWGWRQJZTA-GOSISDBHSA-N 373.239 5.353 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Br)cc1 2964785 HDEDYEKKZYTLHH-UHFFFAOYSA-N 367.246 5.445 0 50 FKAA CC[C@H](C)c1ccc([C@H](CC)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4650980 FMZREABFRWUADD-IQOOROKQSA-N 368.565 5.919 0 50 FKAA Cc1ccc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)cc1 4811285 WJRAWBOCVQRUDR-PKOBYXMFSA-N 365.523 5.089 0 50 FKAA O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccs1 6700994 BMJMOBGOPQMHNH-UHFFFAOYSA-N 353.834 5.197 0 50 FKAA Cc1c([C@H](C)NCc2ccccc2F)cnn1-c1cccc2ccccc12 12198320 DUWQNNQXGORUDA-INIZCTEOSA-N 359.448 5.324 0 50 FKAA Cc1cccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)n1 20599232 UMKPNNFGOCHTHF-DEOSSOPVSA-N 371.459 5.158 0 50 FKAA CCOc1ccccc1CN(Cc1ccc([C@H]2CCCCO2)o1)C1CC1 55269757 HVYIOPFANOLIRK-OAQYLSRUSA-N 355.478 5.085 0 50 FKAA COc1ccccc1Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 854393 JTDLQDZQKZSVAO-UHFFFAOYSA-N 361.832 5.702 0 50 FKAA Cc1cc(C)cc(NC(=O)Cc2ccc(OC(=O)c3ccccc3C)cc2)c1 1384182 DUKIJQJLZLSEOI-UHFFFAOYSA-N 373.452 5.012 0 50 FKAA CCCCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1770887 WMYHQTICLFHGBO-UHFFFAOYSA-N 372.804 5.429 0 50 FKAA Cc1cc(C)cc(-n2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)c1 2092149 BJJJWIRSJIDHAO-UHFFFAOYSA-N 366.555 6.521 0 50 FKAA COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 2391787 PQUGCKBLVKJMNT-UHFFFAOYSA-N 352.743 5.220 0 50 FKAA biogenic,in-vivo CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1ccc1ccccc21 2887138 DIIYXWOXPMIZPE-IBGZPJMESA-N 361.441 5.111 0 50 FKAA CC(=O)c1c(O)nnc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 3091417 VEKTYHRMOKSDMU-UHFFFAOYSA-N 359.212 5.026 0 50 FKAA Sc1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 5427839 LYPXCTPZMMXXAV-CABCVRRESA-N 362.285 5.134 0 50 FKAA CCc1cc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2cc1O 5576025 LVHYFLNKKPTVQB-UHFFFAOYSA-N 358.393 5.520 0 50 FKAA CCCc1ccc([C@@H](C)NC(=O)Nc2ccccc2Br)cc1 13745384 LSGSEBSOQRPYRE-CYBMUJFWSA-N 361.283 5.284 0 50 FKAA O=C1CCc2cc(NCc3ccccc3-c3ccccc3)cc3c2N1CCC3 1875336693 KIPWMIRNZUJWEF-UHFFFAOYSA-N 368.480 5.191 0 50 FKAA CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1 673629 BIUPFJPJDGHLCQ-UHFFFAOYSA-N 360.891 5.438 0 50 FKAA CCc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2CC)n1 719580 OYVDFCYMTNUGHO-UHFFFAOYSA-N 353.857 5.137 0 50 FKAA CC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 1296927 RSYGQECZYQAAQU-UHFFFAOYSA-N 372.449 5.418 0 50 FKAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2Cl)c1 2835450 YXTROLICCHUWHO-UHFFFAOYSA-N 365.260 5.293 0 50 FKAA CCCCCC[C@H](C)Nc1ccc(NCCCCCCCOCC)cc1 4552261 IXJYMSUFNJZQCP-NRFANRHFSA-N 362.602 6.856 0 50 FKAA c1ccc(C2CCC(N3CCN4CCC[C@@H]4[C@@H]3C3CCCCC3)CC2)cc1 22587965 FMVHYYDTTWYONL-JNDMAISQSA-N 366.593 5.442 0 50 FKAA O=C(C[C@@H](Nc1ccc2ccccc2c1)c1cccnc1)c1cccnc1 23634074 UKWLIFLKUCAXQI-JOCHJYFZSA-N 353.425 5.056 0 50 FKAA C1=C(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CCC1 55455756 VWWJKZASFNVJTI-VWLOTQADSA-N 368.524 6.102 0 50 FKAA biogenic C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@]12C 253614822 FEGCPHIPSRBREU-UGVZVSGPSA-N 374.565 5.283 0 50 FKAA O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccccc2Cl)cc1 629890 COQJRWLWGJMUQS-UHFFFAOYSA-N 357.837 5.082 0 50 FKAA Brc1ccc(-c2cc3cccc(Br)c3[nH]2)cc1 1517078 KLLHQVWNNARQGQ-UHFFFAOYSA-N 351.041 5.360 0 50 FKAA CCc1ccc2c(Cl)c(C(=O)N[C@H]3CCCc4ccccc43)sc2c1 2104960 TUYIUMWYZZFJGT-KRWDZBQOSA-N 369.917 5.925 0 50 FKAA CCc1ccc2c(Cl)c(C(=O)N[C@@H]3CCCc4ccccc43)sc2c1 2104962 TUYIUMWYZZFJGT-QGZVFWFLSA-N 369.917 5.925 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccccc1 2275886 CTROTENIADTQAO-IQPBZMAQSA-N 368.480 5.678 0 50 FKAA Cc1cc(OC(F)F)ccc1NC(=O)c1sc2ccccc2c1Cl 2782615 RHLXEVOSOPLVTH-UHFFFAOYSA-N 367.804 5.717 0 50 FKAA O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1 4130668 NWZGKJGXRMJQOU-UHFFFAOYSA-N 357.818 5.040 0 50 FKAA ClC1=C(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100660919 YFKSIMKOFQPMQX-NTSWFWBYSA-N 367.701 5.521 0 50 FKAA NC(=O)c1ccc(NCc2ccc(Sc3ccccc3)cc2)cc1Cl 225641875 UZYVEUROQMDGBV-UHFFFAOYSA-N 368.889 5.202 0 50 FKAA Cc1cc2nnc(SCc3cccc4ccccc34)n2c2ccccc12 947754 DVGDVXHCMUCCHU-UHFFFAOYSA-N 355.466 5.636 0 50 FKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1131557 RHUZJHFPUMKZSB-LLVKDONJSA-N 373.827 5.787 0 50 FKAA CCC(=O)N(c1cccc(C)c1)c1nc(-c2ccccc2)c(CC)s1 1149036 ZPIDCZWRINDNIQ-UHFFFAOYSA-N 350.487 5.756 0 50 FKAA O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2ccccc2Cl)o1 1193030 KZZRJLZHBJHKKE-BOPFTXTBSA-N 367.763 5.084 0 50 FKAA CCN1C=C/C(=C\C=C\c2cc[n+](CC)c3ccccc23)c2ccccc21 1666388 TVRUNVZRBXNONE-UHFFFAOYSA-N 353.489 5.598 0 50 FKAA in-vitro Cc1c2occ(-c3ccccc3)c2cc2c(-c3ccccc3)cc(=O)oc12 2439955 GJWHBMSQHXQKCN-UHFFFAOYSA-N 352.389 6.182 0 50 FKAA Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccccc2)c1 2837000 BRHWOEBIRKIZAU-UHFFFAOYSA-N 372.295 5.862 0 50 FKAA Cc1ccc(SCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 2984815 QRWVDCINZWLPCI-AWEZNQCLSA-N 365.951 5.038 0 50 FKAA CCCCC[n+]1ccc(C(=O)Oc2c(C(C)C)cccc2C(C)C)cc1 3053591 GGILWEZWAQVAEH-UHFFFAOYSA-N 354.514 5.630 0 50 FKAA C/C(=C\c1ccco1)CN1CCC[C@@H](c2[nH]ncc2-c2cccc(C)c2)C1 12151338 XERXFFOVXIOLPJ-ITICKHJUSA-N 361.489 5.261 0 50 FKAA CC(C)[C@@H]1CC[C@]2(C)CO[C@H]([C@@H]3CC(=O)[C@]4(C)CC[C@H]5[C@H](C)CC[C@@]534)[C@H]12 71786098 LHWJUJBEAYNUQJ-CNUAVBGISA-N 358.566 5.495 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CC[C@@H]2O 257357454 OEECLXWCHUIMAU-RFNBTVPHSA-N 374.565 5.222 0 50 FKAA C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)Nc1ccc(Cl)cc1 1875306158 VVFLCHRKRMYJAS-LJQANCHMSA-N 364.823 5.247 0 50 FKAA COc1cccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)c1 669098 JQHPUPICFOQULA-UHFFFAOYSA-N 354.409 5.163 0 50 FKAA CN(C)c1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 753336 YMUWEPBAHWLPBY-UHFFFAOYSA-N 374.307 5.382 0 50 FKAA Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C)cc1 947320 FJGSKABTNAKCAB-UHFFFAOYSA-N 364.514 5.977 0 50 FKAA Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc4ccccc24)S3)cc1 1152114 HWZSBHRZHFOYGS-IBGZPJMESA-N 371.465 5.284 0 50 FKAA Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 1171596 PADHYKUZZCNJBV-UHFFFAOYSA-N 370.861 5.215 0 50 FKAA O=C(Nc1cccc2ccccc12)N(C1CCCCC1)C1CCCCC1 2171530 BFNLMCOUVHVNMJ-UHFFFAOYSA-N 350.506 6.339 0 50 FKAA c1ccc2c(c1)OC1(CCCC1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 5740222 KOOOCPPGGIKIKX-QFIPXVFZSA-N 354.453 5.654 0 50 FKAA O=C(CC[C@H]1CCCN(Cc2ccc(C3CCCCC3)s2)C1)NC1CC1 11878921 AHXBDWHZYZBKGX-QGZVFWFLSA-N 374.594 5.067 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1F 13325913 FPJVSFQDAROQOQ-UHFFFAOYSA-N 364.298 5.060 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21 43021515 JCOOBICVPDFZNX-UHFFFAOYSA-N 371.480 6.224 0 50 FKAA in-vitro Cc1ccc(C(=O)N(C)c2ccccc2)cc1NC(=O)[C@@H](C)c1ccccc1 214076220 QFBXQYBOUGHYHO-SFHVURJKSA-N 372.468 5.014 0 50 FKAA COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 248157217 JCEJAUVYYGKDSZ-XTTTXAKASA-N 360.582 6.235 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)c1sc2ccccc2c1Cl 637114 OGTAVNHEVNCHKV-UHFFFAOYSA-N 356.661 6.114 0 50 FKAA CC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 675320 KRWVQFMMEVUDKD-UHFFFAOYSA-N 374.278 5.202 0 50 FKAA COc1cc2c(cc1OC)C1(CCCCC1)CN[C@H]2CCc1ccccc1 756426 PVKKUWPMOIXVHK-NRFANRHFSA-N 365.517 5.183 0 50 FKAA Cc1cc(C)c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1 898306 QWUICVDYQCTFMH-UHFFFAOYSA-N 354.837 5.481 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1c(F)cccc1F 939840 PYGCTYWKDNEPBO-UHFFFAOYSA-N 366.392 5.494 0 50 FKAA Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1Cl 2085192 RXOKJNKRWPVGOC-UHFFFAOYSA-N 367.901 6.193 0 50 FKAA O[C@H](CNc1cccc2ccccc12)Cn1c2ccccc2c2ccccc21 2294904 YIHWSRRVVHAGEH-LJQANCHMSA-N 366.464 5.421 0 50 FKAA O=C(COc1ccc2ccccc2c1)NC(c1ccccc1)c1ccccc1 2749675 JWHSGGAXFFNVTL-UHFFFAOYSA-N 367.448 5.124 0 50 FKAA CC[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1 2849837 RPSUAWNAOYPUOR-LJQANCHMSA-N 356.425 5.627 0 50 FKAA Cc1cc(C)cc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1 2873730 XLZUTZBAQOEWQI-UHFFFAOYSA-N 359.347 5.835 0 50 FKAA Cc1oc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2c1-c1ccccc1 4027930 UHXWYPMYTODTMM-UHFFFAOYSA-N 366.416 6.490 0 50 FKAA biogenic Cc1nc[nH]c1CN1CC[C@@H](c2ccc(F)c(F)c2)Sc2ccccc21 11912245 VMWNDPSBZCUTAG-IBGZPJMESA-N 371.456 5.240 0 50 FKAA Cc1cnn([C@H](C)C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1 17076184 NPZIKKKXEPIGSA-CQSZACIVSA-N 371.893 5.196 0 50 FKAA C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19632891 DERZBLKQOCDDDZ-JLHYYAGUSA-N 368.524 5.107 0 50 FKAA aggregator,world O=C(O)CC[C@@H](CCSCc1ccccc1)SCc1ccccc1 144764204 IGIPOHQCJMKOIV-IBGZPJMESA-N 360.544 5.477 0 50 FKAA O=[N+](Nc1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1 409415924 QFDWCBVTFFKDAT-UHFFFAOYSA-N 351.429 6.458 0 50 FKAA Cc1cc(C(F)(F)F)ncc1NC(=O)c1csc(C2CCCCC2)c1 2325840840 STYIIIBPPNVFGJ-UHFFFAOYSA-N 368.424 5.770 0 50 FKAA Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 1178676 LVVZIICRURKAIX-UHFFFAOYSA-N 373.692 5.082 0 50 FKAA CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 1185925 BKSSLDPZERVAOD-UHFFFAOYSA-N 370.905 5.977 0 50 FKAA CC[C@H](c1cccc(Br)c1)[C@@H](C(C)=O)c1ccc(OC)cc1 1717622 NQVHJSWFJDJKRQ-MOPGFXCFSA-N 361.279 5.324 0 50 FKAA O=C(COC(=O)c1ccccc1-c1ccccc1)c1ccc2ccccc2c1 1848110 DDWUBNUXEBJMLD-UHFFFAOYSA-N 366.416 5.547 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 2953811 VGOJUYHCBSEZFJ-UHFFFAOYSA-N 352.478 5.108 0 50 FKAA COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3Cl)n2)cc1 6701178 HOJLPXMMQQBPEC-UHFFFAOYSA-N 358.850 5.033 0 50 FKAA FC(F)(F)c1cnc(-c2ncc(-c3ccc(Cl)cc3)[nH]2)c(Cl)c1 263640024 TZXOVEYMVBYBHO-UHFFFAOYSA-N 358.150 5.464 0 50 FKAA CCCCC[C@@H](CC)c1nc(-c2cc3ccccc3cn2)nn1C12CC(C1)C2 1875348789 COEBVBRDUDYUHK-RKDDFOCISA-N 374.532 6.076 0 50 FKAA c1ccc(Nc2nnc(CSc3nc4ccccc4s3)s2)cc1 711206 PJTNNTPESKZLGV-UHFFFAOYSA-N 356.501 5.184 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(C)c1 1112688 GXUFOJHEGZEOEA-UHFFFAOYSA-N 369.420 5.329 0 50 FKAA O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1Cl 1149767 GSBYKZSIOIZJIV-UHFFFAOYSA-N 353.874 5.885 0 50 FKAA Cc1ccc(C(=O)C[C@@H](Nc2ccc3ccccc3c2)c2cccnc2)cc1 1187938 SVQWCVSCASLZQX-XMMPIXPASA-N 366.464 5.969 0 50 FKAA O=C(NCc1ccc(-n2cccc2)cc1)c1sc2ccccc2c1Cl 1426633 QGNZBZCWCXNCHS-UHFFFAOYSA-N 366.873 5.275 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)cc1OC 1777391 VMFLRNDKKOBBHA-UXBLZVDNSA-N 359.853 5.098 0 50 FKAA Clc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1Cl 2189834 QHYVFQQSGAYGCC-UHFFFAOYSA-N 366.251 5.908 0 50 FKAA CC(C)C[C@@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 2250767 YZIUAMHPYPJSNI-KZULUSFZSA-N 364.898 5.365 0 50 FKAA O=C(Nc1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 4794785 UGHQRHZRMDPJSI-UHFFFAOYSA-N 359.145 5.112 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2Cl)s1 8742756 OAILEVWFOHPECU-UHFFFAOYSA-N 365.245 5.156 0 50 FKAA Cn1c(NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 12381548 OAXRFUOWFHZWRR-UHFFFAOYSA-N 365.521 5.486 0 50 FKAA CCCCCn1c(CC)c(C(=O)c2cccc3ccccc23)c2ccccc21 13476552 AQHPTHKEKSWGPO-UHFFFAOYSA-N 369.508 6.778 0 50 FKAA in-vitro O=C(Nc1nc2ccc3scnc3c2s1)c1ccc2ccccc2c1 95147726 YAISOECYKYATLL-UHFFFAOYSA-N 361.451 5.312 0 50 FKAA C[C@@H](CCNC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 2325866690 WNZGRNHMVLHBFH-QSFXBCCZSA-N 356.897 5.079 0 50 FKAA COc1ccccc1Oc1ncnc2scc(-c3ccc(F)cc3)c12 628337 JJCMKGPRWFZMGJ-UHFFFAOYSA-N 352.390 5.298 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl 640966 ULGOABYDVZNSTI-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA CCOc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 668538 RNMRAVYBTRWMKW-UHFFFAOYSA-N 359.469 5.037 0 50 FKAA O=C(CCC1CCCCC1)Nc1nnc(Cc2ccc(Cl)cc2)s1 1135449 ZHVFNLPBZRCGKA-UHFFFAOYSA-N 363.914 5.081 0 50 FKAA CCCCOc1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 2079701 HYGVHXIJESSVSL-UHFFFAOYSA-N 362.425 5.058 0 50 FKAA Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CC(C)C 2372137 REPPKRFVAQMUED-UHFFFAOYSA-N 363.573 6.142 0 50 FKAA CCCCc1ccc2nc(NC(=O)c3ccc(C)cc3Cl)sc2c1 2837046 YXBDSBTUCFOBKK-UHFFFAOYSA-N 358.894 5.853 0 50 FKAA COc1cccc(OC)c1OCCCCOc1ccc2ccccc2c1 2985237 ATBIWWXPKQKGQJ-UHFFFAOYSA-N 352.430 5.095 0 50 FKAA Cc1sc(-c2cccnc2)nc1OC(=O)c1ccc(Cl)cc1Cl 3116626 MKXZZOWOLGNLPZ-UHFFFAOYSA-N 365.241 5.040 0 50 FKAA CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC 5214194 BPKWYKADCBCGQP-UHFFFAOYSA-N 350.458 5.982 0 50 FKAA c1ccc(CONC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5683255 MIVSBRPVOLTVDH-UHFFFAOYSA-N 365.476 5.700 0 50 FKAA CCC(CC)C(=O)N(Cc1ccc(OC)c(OC(C)C)c1)C1CCCC1 12055470 CLZNXJWKCLIFLS-UHFFFAOYSA-N 361.526 5.190 0 50 FKAA Oc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1 34784369 OXBSSBYVVMIMMP-UHFFFAOYSA-N 364.444 6.105 0 50 FKAA Cc1nc(NC(=O)c2nc(C(C)C)cs2)cc(-c2ccccc2)c1C 1857717452 UBJQYOJSDADGGW-UHFFFAOYSA-N 351.475 5.198 0 50 FKAA Cc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc32)cc1 688332 OVKDKTRSYHUXNE-UHFFFAOYSA-N 363.507 5.917 0 50 FKAA biogenic CCCn1c([C@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 860987 VRAYNQLOCKBAFR-HSZRJFAPSA-N 372.468 5.107 0 50 FKAA Cc1ccccc1NC(=O)C[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 1130263 PUNFMXCECALKEK-NHCUHLMSSA-N 365.517 5.388 0 50 FKAA Cc1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)cc1 1135137 CFGSDFDMIMSHSF-UHFFFAOYSA-N 361.264 5.100 0 50 FKAA CC[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)c1ccccc1 2399177 BNSWCVZWELDJBH-QHCPKHFHSA-N 368.436 5.337 0 50 FKAA CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 4543552 KCHVCBWPWBJKQH-UHFFFAOYSA-N 374.415 6.010 0 50 FKAA O=C1N(c2ccccc2)[C@@H](c2ccc(Br)cc2)C12CCCCC2 4581469 ZRYPSXZFUJSPGS-SFHVURJKSA-N 370.290 5.488 0 50 FKAA CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)cc3)o2)cc1 5063742 DLYRIULBKSHJJC-UHFFFAOYSA-N 374.893 5.718 0 50 FKAA CC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@@H]3CC[C@H]2C1(C)C 5227209 AUBLWSIZTYPLHL-QQCFZQQESA-N 360.538 5.166 0 50 FKAA O=C(c1cccc(Cl)c1)n1cnc(-c2ccccc2)c1-c1ccccc1 23549774 YZLGMWJSFIVNCR-UHFFFAOYSA-N 358.828 5.559 0 50 FKAA C[C@@H](F)CCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21 575631069 PSTMVUJRDHDKHN-QGZVFWFLSA-N 374.459 6.185 0 50 FKAA in-vitro O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 722687 HONRDVLRFFOFPG-UHFFFAOYSA-N 350.176 5.645 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 834960 QOIUGYMDKQZPMT-UHFFFAOYSA-N 370.408 5.246 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 1141870 ONAWPWHOHXHCNG-UHFFFAOYSA-N 367.901 6.128 0 50 FKAA CCCc1sc(NC(=O)c2ccccn2)nc1-c1cc(C)ccc1C 1169973 WNCQNCHJLLNBIK-UHFFFAOYSA-N 351.475 5.027 0 50 FKAA OC1=NC(=S)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 1240273 PQCBMLVRDBJEMS-WUXMJOGZSA-N 356.255 5.583 0 50 FKAA CCCCOc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2)cc1 1850750 UWUZQCCVIRHUCO-QHCPKHFHSA-N 353.786 5.833 0 50 FKAA CCCCCCOc1ccc(OC(=O)c2ccc(CCCC)cc2)cc1 2169672 QZYDWVAYBOXUCW-UHFFFAOYSA-N 354.490 6.208 0 50 FKAA in-vitro CCCCCOc1ccc2cc([C@@H](NC(N)=O)C3CCCCC3)ccc2c1 2900550 RSHUNHMAQREHFP-QFIPXVFZSA-N 368.521 5.699 0 50 FKAA OC(c1ccccc1)(c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1 3075574 HNTIJECZKUEWHW-RUZDIDTESA-N 365.476 5.776 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)Nc1c(Cl)cccc1Cl 3382501 UFGPMBWVYXCSKW-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA Cc1ccn2c(C(=O)CSc3cccc(Cl)c3Cl)c(C)nc2c1 4003153 CXTTULMKKLZISM-UHFFFAOYSA-N 365.285 5.233 0 50 FKAA CC[C@@]1(C)C[C@@](CCNCc2ccccc2)(c2ccc(C)cc2)CCO1 4094012 ZIRNGNXKDWRMQW-ZEQRLZLVSA-N 351.534 5.392 0 50 FKAA biogenic C=C[C@H]([C@H](Nc1ccccc1)c1ccc(Cl)cc1)n1nnc2ccccc21 5631384 YJWSYUOBCKPSBI-IFMALSPDSA-N 374.875 5.665 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)s1 20603102 XUEJKNKNSKVGHO-UHFFFAOYSA-N 359.376 5.534 0 50 FKAA c1ccc(C2(c3ccccc3)OC(c3ccco3)=Nc3ccccc32)cc1 196090386 ZLZWLXXHGKTNLI-UHFFFAOYSA-N 351.405 5.680 0 50 FKAA Clc1cccc(Cl)c1CN1CCN2CCC[C@@H]2[C@H]1C1CCCCC1 584904422 SRUKOPZYMRZGLU-WOJBJXKFSA-N 367.364 5.222 0 50 FKAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 627871 XFAYUELBFSFZFN-UHFFFAOYSA-N 357.759 5.155 0 50 FKAA CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 657399 DYHRYEWWOAKPFF-OAHLLOKOSA-N 358.652 5.443 0 50 FKAA Cc1ccccc1Nc1nc([C@@]2(C)C[C@H](CCC(C)C)C(=O)O2)cs1 819880 WGRJUOXIPVHBJJ-MGPUTAFESA-N 358.507 5.410 0 50 FKAA Cc1ccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc1 954150 HDHVKFXQFRMJSP-UHFFFAOYSA-N 358.393 5.473 0 50 FKAA CCCN(CCC)C(=O)C[C@@H](c1ccccc1)c1ccc(C)c(C)c1O 1177188 HXJMLIDJVZGLIJ-NRFANRHFSA-N 353.506 5.180 0 50 FKAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CNc1cccc(F)c1 2928727 BECNOCQXBHYFKW-UHFFFAOYSA-N 361.416 6.168 0 50 FKAA Cc1ccc(CCCCCCCCCCCC(=O)N2CCOCC2)cc1 4713305 BNIBCPUOMJRXFJ-UHFFFAOYSA-N 359.554 5.297 0 50 FKAA Cc1cc(C)c2nc(C)cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 5811819 BJTAFVSHOQKRBZ-UHFFFAOYSA-N 368.480 6.483 0 50 FKAA FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 13483242 UKBNDKFDPOVLGR-UHFFFAOYSA-N 365.207 5.821 0 50 FKAA Cc1c([C@H](C)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1 14964954 CPNBGWGEWIEKPH-AWEZNQCLSA-N 359.395 5.050 0 50 FKAA Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)cc1 17073707 VVSPNQNPJMOWEM-UHFFFAOYSA-N 356.516 5.077 0 50 FKAA COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1cccc(Cl)c1 1848443924 MZIXRIAGRYZSTN-UHFFFAOYSA-N 364.832 5.471 0 50 FKAA Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c3c(c(=O)oc12)CCC3 634070 FRZLNYDJMMLNGM-UHFFFAOYSA-N 350.801 5.657 0 50 FKAA biogenic CC[C@@H](C)c1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl 685973 OIWFNDKRLHUTIF-LLVKDONJSA-N 361.869 6.460 0 50 FKAA CCc1cc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c(O)cc1OC 1155592 MGZDNPCWUPMUQF-UHFFFAOYSA-N 358.825 5.107 0 50 FKAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccs1 1184001 OXKVSJJSTGBYNZ-UHFFFAOYSA-N 362.479 5.791 0 50 FKAA O=C1C(Nc2ccccc2)=C[C@H](Nc2ccccc2)/C1=C\c1ccccc1 1195678 CHQZYBFTXJEWBH-CIPTZOQDSA-N 352.437 5.129 0 50 FKAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 1218090 SIZMRAVYMWEJBW-JTQLQIEISA-N 358.652 5.361 0 50 FKAA O=C(NCc1ccccc1Cl)N1c2ccccc2Sc2ccccc21 1293641 WPDQFTZVKUSQOA-UHFFFAOYSA-N 366.873 5.853 0 50 FKAA c1ccc(C(OC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1640903 PVQATPQSBYNMGE-UHFFFAOYSA-N 350.461 6.582 0 50 FKAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cccc(C)c1 1797490 YSEMSIKPVGFUIU-UHFFFAOYSA-N 370.448 5.910 0 50 FKAA O=Cc1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1 2576720 FCNFVMJDFMVJDS-UHFFFAOYSA-N 374.434 5.938 0 50 FKAA Cc1ccc(OCCCCCCOc2ccc(C)cc2Cl)c(Cl)c1 2880460 VVUKYNPGZSKINW-UHFFFAOYSA-N 367.316 6.628 0 50 FKAA Cc1ccc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2979954 NWMPWOKDBZXPNB-UHFFFAOYSA-N 359.800 5.398 0 50 FKAA CC(C)c1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 5563555 RIJDRQOXEUOTCZ-UHFFFAOYSA-N 364.319 5.433 0 50 FKAA Clc1ccc(COc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cc1 13230288 JRTMPIVWZPQWNJ-UHFFFAOYSA-N 369.251 6.116 0 50 FKAA O=c1c2c3c(sc2[nH]c(=S)n1CCCc1ccccc1)CCCCC3 17076001 ZSOWZKKJMXWNDS-UHFFFAOYSA-N 370.543 5.022 0 50 FKAA O=C(c1cc(-c2ccccc2)on1)N1CCCCC[C@H]1c1cccc(F)c1 82161113 WDHZNMRBBGNFQD-FQEVSTJZSA-N 364.420 5.238 0 50 FKAA CCC[C@H](N[C@@H]1CCC[C@@H]1CCO)c1ccc(Oc2ccccc2)cc1 2325822272 NKZHDOLKHHWVNJ-YFXJRYMSSA-N 353.506 5.461 0 50 FKAA CO[C@@H](C(=O)N(C)[C@H](C)c1cccc2ccccc12)c1cc(F)cc(F)c1 2325828402 GEWSWXPEDHNTJO-SPLOXXLWSA-N 369.411 5.025 0 50 FKAA CCOc1ccc(-n2c(C)c(C(=O)c3ccccc3)c3cc(O)ccc32)cc1 677880 UVLKOKNOXUESEV-UHFFFAOYSA-N 371.436 5.274 0 50 FKAA CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccccc1 822163 ZPDVANIZPCHEPF-UHFFFAOYSA-N 369.536 6.102 0 50 FKAA CC(=O)Nc1cc(Cl)c2oc(-c3ccc(Cl)cc3Cl)nc2c1 825605 WWMROOZEHDEBRU-UHFFFAOYSA-N 355.608 5.413 0 50 FKAA Clc1cccc(Cl)c1Cn1c(-c2cscn2)nc2ccccc21 1186366 RHMWDUIGAKLEIK-UHFFFAOYSA-N 360.269 5.515 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(Cl)c2)o1 1208052 UHSWUIZSIACROD-UHFFFAOYSA-N 365.738 5.871 0 50 FKAA Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc21 2740851 FWIMBEJLTLBUKG-UHFFFAOYSA-N 351.759 5.185 0 50 FKAA CCc1ccccc1-n1c([C@H]2C[C@H]2c2ccc(Cl)cc2)n[nH]c1=S 2791810 GBHGJCGJWKLHCP-HOTGVXAUSA-N 355.894 5.417 0 50 FKAA O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2818632 BQFQPJLHFJHZSK-UHFFFAOYSA-N 355.397 5.653 0 50 FKAA Cc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)c(C(C)C)cc1Cl 2832034 IVZCFJYNHQIFNM-UHFFFAOYSA-N 364.872 6.658 0 50 FKAA CC(=O)Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1 3107459 VEVXXEUNSIFYGQ-UHFFFAOYSA-N 367.242 5.708 0 50 FKAA CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)s3)nc21 13961110 XYRRORZCTSJUMO-UHFFFAOYSA-N 353.413 5.596 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](C1CCCCC1)O2 25559761 JVFAABOFNYBFJP-XLIONFOSSA-N 356.853 5.383 0 50 FKAA C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 43757761 YRMMDRYFJOUBOL-XMGHBDAASA-N 360.582 5.335 0 50 FKAA Cc1cnc(Cn2cnc(-c3ccccc3)c2C[C@@H](C)c2ccccc2)cn1 65409195 JRXXHRJXNJCSRY-GOSISDBHSA-N 368.484 5.043 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1ccco1 169746849 SANWDQJIWZEKOD-UHFFFAOYSA-N 357.126 5.336 0 50 FKAA Cc1ccc(-c2noc([C@@H](C)N3CCC[C@H]3c3ccsc3)n2)cc1F 248074511 AXAHUDQRZZTBHP-DYVFJYSZSA-N 357.454 5.144 0 50 FKAA COc1ccc(COc2cc(Br)cc(C(F)(F)F)c2)cc1 261493561 DOHFEEWHKSYTAI-UHFFFAOYSA-N 361.157 5.056 0 50 FKAA FC(F)(F)c1ccccc1-c1ccc(-c2ccc3c(c2)CCCS3)o1 1875347317 TXRBYERNQJGNHL-UHFFFAOYSA-N 360.400 6.671 0 50 FKAA Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 626411 BKIJFLWYNUUVNJ-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA O=S(=O)(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 640546 MMYVDBHFYSHDSL-UHFFFAOYSA-N 356.057 5.133 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 980427 BOJAKJOUWDFBBR-UHFFFAOYSA-N 367.832 5.783 0 50 FKAA O=C1C[C@@H](c2cc(Br)ccc2F)c2c(ccc3ccccc23)N1 1059780 GILBQBZGJZQRAS-HNNXBMFYSA-N 370.221 5.216 0 50 FKAA Cc1ccc(NC2=C[C@H](c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1 1095861 QDCNAIVUSBXJHH-HSZRJFAPSA-N 372.443 5.526 0 50 FKAA aggregator S=C(NCc1ccc(Cl)cc1)Nc1ccc(Nc2ccccc2)cc1 1108480 FAZOCDIQJNJDQO-UHFFFAOYSA-N 367.905 5.570 0 50 FKAA Cc1c(C(C)C)c(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 1130383 VGWGFKWWBLMDPH-UHFFFAOYSA-N 370.832 5.140 0 50 FKAA Cc1cccc(OC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1 2577082 GTTADNWWWXGATP-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA Cc1ccccc1-n1c(/C=C/c2ccccc2F)nc2ccccc2c1=O 4309863 VSQNBORYENFFKZ-CCEZHUSRSA-N 356.400 5.004 0 50 FKAA O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Cl 4541827 BEZFXUJGNJFEPE-UHFFFAOYSA-N 360.240 5.825 0 50 FKAA Cc1cccc(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 4543210 XBBFIFAQQNNNLA-UHFFFAOYSA-N 353.506 5.726 0 50 FKAA CSc1nsc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1 4735848 GUDDWYAHYIQTAQ-UHFFFAOYSA-N 374.512 5.027 0 50 FKAA C[C@H](NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 4903005 LOSGSTOVRAKYCY-DFQSSKMNSA-N 357.563 5.778 0 50 FKAA Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1Br 36620322 GHPAXNGHXLRKMC-KRWDZBQOSA-N 359.267 5.127 0 50 FKAA C[C@H](Oc1ccccc1F)c1nnc(-c2ccc(Cl)cc2Cl)o1 122187107 NIWMVSWDWUAEBB-VIFPVBQESA-N 353.180 5.323 0 50 FKAA O=C(Nc1ccc(F)cc1F)c1ccc(COc2ccccc2Cl)o1 1012076 OKFKAFKPUOVSSY-UHFFFAOYSA-N 363.747 5.043 0 50 FKAA CC[C@H](C)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 1125149 RDNOUNXWJRRDMY-NSHDSACASA-N 366.686 5.868 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(Br)c1 1170571 LKFZLASAIFZYIC-UHFFFAOYSA-N 367.246 5.445 0 50 FKAA CC(C)Cc1ccc(COc2ccc([C@H](C)CC(=O)O)cc2)cc1Cl 2546424 ZFPPRHFYJIYXCM-OAHLLOKOSA-N 360.881 5.696 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 2984800 RCFWKVCVSHOHPO-HNNXBMFYSA-N 370.518 5.114 0 50 FKAA COc1cc2c(cc1NC(=O)CCC1CCCCC1)oc1ccccc12 3642283 ULQRIUFJIRWNOA-UHFFFAOYSA-N 351.446 5.894 0 50 FKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 4705267 GJATWJSOKKWNDP-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(Cl)c1 4794834 GKNDJQRBSBCDCF-UHFFFAOYSA-N 350.289 6.493 0 50 FKAA Brc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)cc1 4892726 OXRLUDAODJCVDZ-GOSISDBHSA-N 367.246 5.398 0 50 FKAA C[C@H](Cc1cc(C(=O)N(Cc2ccccc2)CC2CC2)on1)c1ccccc1 14886742 KMSFUMVCRAIXDR-GOSISDBHSA-N 374.484 5.073 0 50 FKAA c1coc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc4ccccc34)C2)c1 20256239 FPJFHDPYOPGNKR-GOSISDBHSA-N 357.457 5.203 0 50 FKAA Cc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 25764056 CZXUJHYQXDLEKT-FYYLOGMGSA-N 358.416 5.376 0 50 FKAA O=C(Nc1ccc2c(c1)OCO2)N1CCCCC[C@H]1c1ccccc1Cl 35561797 LSLPCRWQLFLVBT-KRWDZBQOSA-N 372.852 5.218 0 50 FKAA O=C(c1cn(CCCCCF)c2ccccc12)C12CC3CC(CC(C3)C1)C2 95705110 WBLLMFXPGHZFFP-UHFFFAOYSA-N 367.508 6.180 0 50 FKAA biogenic,in-vitro Cc1ccccc1Nc1cnc(C(=O)Nc2c(Cl)cccc2Cl)cn1 243183144 JXJDEMXVIONTAM-UHFFFAOYSA-N 373.243 5.088 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1c(Cl)cccc1Cl 641004 XQSDBRDTTBICDL-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@H]1c1ccc(Cl)cc1 653042 SDJUYLORCDWAOA-STQMWFEESA-N 357.734 5.240 0 50 FKAA Cc1ccc(C(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)cc1 783252 KUKUSKUQKGZJIC-UHFFFAOYSA-N 368.527 5.162 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)sc2c1 1084431 WENFVOBYBHZSLN-UHFFFAOYSA-N 362.429 5.663 0 50 FKAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2c(C)cccc2C)C3=O)cc1 1121679 OSXAPFQZBCBZEZ-UHFFFAOYSA-N 357.409 5.205 0 50 FKAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccccc2Cl)o1 1194734 JEXCBGWHCXPHJF-BOPFTXTBSA-N 367.763 5.084 0 50 FKAA O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccnc1 1207766 SVSUQJXXVIYJNQ-VMPITWQZSA-N 359.212 5.300 0 50 FKAA Cc1ccc(-c2cc(-c3ccccc3)nc(OCc3ccccc3)n2)cc1 1230173 ICBAYVAAQFRFFT-UHFFFAOYSA-N 352.437 5.698 0 50 FKAA CCCCOc1cccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)c1 2091121 UBCVQCLEWGQPCB-UHFFFAOYSA-N 362.473 5.219 0 50 FKAA O=C(Cc1ccc(OCc2ccccc2)c(Cl)c1)OCc1ccccc1 2546390 WWDPCWMNWVZRPO-UHFFFAOYSA-N 366.844 5.205 0 50 FKAA O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1ccccc1Cl 4808437 FKZCOXZVRMRRKA-UHFFFAOYSA-N 363.847 5.081 0 50 FKAA O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2c(c1)oc1ccccc12 5059926 PPCXFPXBZCJVAV-UHFFFAOYSA-N 363.372 5.540 0 50 FKAA CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@H]2c3ccc(OC)cc3CC[C@@H]21 216287265 WVDKBHOKKLQPOC-ZKGSSEMHSA-N 362.513 5.880 0 50 FKAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1sc2cc(Cl)ccc2c1Cl 252512947 WVKPAUMSQIVGKI-GBIKHYSHSA-N 356.318 5.763 0 50 FKAA C[C@H]1SCCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H]1c1ccccc1 1875346540 GZCLMNUWCDTXLO-SJKOYZFVSA-N 366.313 5.312 0 50 FKAA O=c1ccc2ccc(Oc3ncnc4sc(-c5ccccc5)cc34)cc2o1 628407 MFZYHCMRCJILSU-UHFFFAOYSA-N 372.405 5.257 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)sc2c1 937098 YSNMNUVDAWNQMT-UHFFFAOYSA-N 350.468 5.586 0 50 FKAA COc1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 1112885 FQNGWYZYKHMQCW-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 1169182 HWGHBSVWPJUPEF-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA CCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(OCC)c1OCC 1217371 IKLKBDCLQBHVEC-UHFFFAOYSA-N 371.477 5.060 0 50 FKAA Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1 2079458 MUICQQBATVVVJM-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA Cc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1C 2347141 KWLHMRGYORCDCR-UHFFFAOYSA-N 374.553 5.812 0 50 FKAA COc1c(Cl)cc(C(=O)Nc2ccccc2-c2ccccc2)cc1Cl 2880707 UAXQFTDEMALETR-UHFFFAOYSA-N 372.251 5.921 0 50 FKAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)cc1 6127793 UPFAZVRPKZDUQP-FYYLOGMGSA-N 374.415 5.077 0 50 FKAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc(C)c3C)c2C)c1 13331440 LDDMMGUOHHDNSQ-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1[C@@H](C)CCCC(C)(C)O 67675217 XUXMCRCCVOXCMH-HNNXBMFYSA-N 366.509 5.059 0 50 FKAA Cc1ccc(-c2ccc(OCC(=O)N3CCCc4ccccc43)cc2)cc1 622321 JXJGABONSPDNMM-UHFFFAOYSA-N 357.453 5.020 0 50 FKAA COc1ccccc1/C=C/[C@H]1Nc2ccccc2C(=O)N1c1ccccc1C 709976 WHUZNGFUDMKVKQ-TVXVBNPNSA-N 370.452 5.115 0 50 FKAA COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)cc1Br 945200 XFLMBENYLDODJS-SOFGYWHQSA-N 374.278 5.035 0 50 FKAA O=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1177789 POVWIDMOYCSOAG-UHFFFAOYSA-N 374.827 5.412 0 50 FKAA C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 1212742 IEDWYQQEMKCMSQ-QGZVFWFLSA-N 352.437 5.393 0 50 FKAA in-vivo FC(F)(F)c1nc(Nc2cccc(Cl)c2)sc1-c1ccccc1 2472136 QHKHSELCCUHBCK-UHFFFAOYSA-N 354.784 6.226 0 50 FKAA Cc1cc(C)c(NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)c1 2838671 VMWPRLXWTOJWOE-UHFFFAOYSA-N 361.510 6.156 0 50 FKAA CCOc1ccc([C@H](C)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 2852947 RQWUHNDJIWPZLK-NSHDSACASA-N 369.317 5.440 0 50 FKAA Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(Br)ccc2Cl)c1 13329761 QHCREOOIESZMLU-GFCCVEGCSA-N 366.686 5.210 0 50 FKAA Cc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2cnccn2)oc1C 65492903 UJHJTWWMHOKEGN-INIZCTEOSA-N 358.445 5.021 0 50 FKAA COc1cc(C)c(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F 186710496 NYLPBKFSVRATHC-ZDUSSCGKSA-N 356.397 5.114 0 50 FKAA O=C(Nc1nc(-c2cccc(Br)c2)cs1)C1CCCCC1 937350 RLFQTWFBGRFALS-UHFFFAOYSA-N 365.296 5.091 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 1095018 CUTZHQCOSBVYCX-UHFFFAOYSA-N 364.411 6.596 0 50 FKAA CCOc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 1183290 QLNDODCQERLOMO-OAQYLSRUSA-N 363.482 5.557 0 50 FKAA c1ccc(CCN[C@@H]2CCCc3c2[nH]c2ccc(-c4ccccc4)cc32)cc1 1836359 XNOLHKBBTGIIOM-RUZDIDTESA-N 366.508 6.045 0 50 FKAA CCN(CC)c1ccc(NC(=O)c2cc3ccccc3cc2OC)c(C)c1 2855993 MBRAVIKPXZSOLX-UHFFFAOYSA-N 362.473 5.255 0 50 FKAA COc1cc(OC)cc(C(=O)Nc2ccccc2Sc2ccccc2)c1 2858748 SJMPZEOZYPWDPV-UHFFFAOYSA-N 365.454 5.107 0 50 FKAA COc1cc(C)ccc1OCCCCOc1cccc(Cl)c1Cl 2985252 AGYRTEPFYDDLKO-UHFFFAOYSA-N 355.261 5.548 0 50 FKAA Cc1ccc(COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 6798215 JCNWFXLAYDFWMA-UHFFFAOYSA-N 358.393 5.053 0 50 FKAA biogenic CC(C)(C)[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 7026670 DIPMRWAVRJSLCY-GFCCVEGCSA-N 370.543 5.261 0 50 FKAA COC(=O)CCCCCCCCCCCCCCCCCCC(=O)OC 15149612 PODMJVMUYCFFMK-UHFFFAOYSA-N 370.574 6.354 0 50 FKAA biogenic,in-vitro Cc1sc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)nc1-c1ccccc1 85999948 KTOSEHJMTJTRFO-UHFFFAOYSA-N 367.477 6.329 0 50 FKAA Fc1ccc(/C=C\c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 225072825 BCNLNLNULNZXNP-SSZFMOIBSA-N 374.464 5.473 0 50 FKAA O=C(/C=C/c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1 225849329 NNPXQPOOTVDCBI-LJJIPZOBSA-N 370.427 5.217 0 50 FKAA CC(C)CCn1ncc(NC(=O)N2CCC[C@@H]2c2cccs2)c1C(C)C 331585488 LNFFZWARUINYEH-QGZVFWFLSA-N 374.554 5.483 0 50 FKAA COc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 1057385 KJJGMQKVLIRGKM-UHFFFAOYSA-N 363.482 5.548 0 50 FKAA Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1Cl 1151322 CFHJNXAANCBDSU-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA C[P@](=O)(Nc1ccc(Br)cc1)Oc1ccc(Cl)cc1 1232647 MCELVCPTJURDOO-LJQANCHMSA-N 360.575 5.416 0 50 FKAA CC1(C)C[C@]2(C[C@@]3(C1)Nc1ccccc1S3)Nc1ccccc1S2 2461672 BYMVEACBOPPAJZ-PMACEKPBSA-N 354.544 6.025 0 50 FKAA CCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1 2736042 OLJNLJDRPRIFRL-UHFFFAOYSA-N 366.486 5.468 0 50 FKAA O[C@@H]1C[C@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21 3133537 MSENWMQWPMYKPR-RTBURBONSA-N 370.370 6.067 0 50 FKAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Cl 4542328 JEJYGPXGKYMHAE-UHFFFAOYSA-N 367.676 5.630 0 50 FKAA CC(C)(C)c1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)cc1 4953508 FWCYVUPRKPRRNK-QNGOZBTKSA-N 355.437 5.482 0 50 FKAA NCCCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 6344069 JUCAVZCEBDOYJO-UHFFFAOYSA-N 358.529 5.087 0 50 FKAA biogenic Cc1cccc(C(C)C)c1NC(=S)Nc1cccc(OC(F)F)c1 169810936 JSXQDBXMASWSAV-UHFFFAOYSA-N 350.434 5.529 0 50 FKAA O=C(O)c1ccc2c(c1)CCCCN2C(=O)CCCCC1CCCCC1 2325817774 VMOWMPBNMIFDCN-UHFFFAOYSA-N 357.494 5.195 0 50 FKAA C/C=C(C(=C/C)/c1ccc(OC(C)=O)cc1)\c1ccc(OC(C)=O)cc1 608322 YWLLGDVBTLPARJ-OXAZHYLESA-N 350.414 5.044 0 50 FKAA Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c(C)c1 625685 CQVPLIMTIOVYJR-AWEZNQCLSA-N 356.516 5.341 0 50 FKAA CC(C)(C)c1ccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 1183289 VUVZCLSBGRBAMD-UHFFFAOYSA-N 371.436 5.577 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)cc1 1200167 MLICQLCOGAJGJR-UHFFFAOYSA-N 353.425 5.112 0 50 FKAA CCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 1209885 ODTHVKZKYIKZLA-UHFFFAOYSA-N 372.424 5.454 0 50 FKAA CC(=O)Nc1ccc(Oc2nc(-c3ccccc3F)nc3ccccc23)cc1 2198112 VBKMWBIFRIZXPP-UHFFFAOYSA-N 373.387 5.187 0 50 FKAA Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)oc2ccccc23)c(C)c1 2846475 GTGGCPDYLRWPCX-UHFFFAOYSA-N 374.465 5.330 0 50 FKAA CCCCCCC(=O)N[C@@H](Nc1ccccc1C)C(Cl)(Cl)Cl 3150362 NSPQCKQWKAXZGL-OAHLLOKOSA-N 365.732 5.190 0 50 FKAA Brc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1 4010614 LTAXGGFEMUCYOT-HNNXBMFYSA-N 373.275 5.459 0 50 FKAA COc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3cccs3)C2)cc1 4010927 JSNGVIUYTDILRY-LJQANCHMSA-N 368.889 5.766 0 50 FKAA COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2F)cc1 5018243 YIFOMAIJCKQCII-QFIPXVFZSA-N 364.395 5.329 0 50 FKAA COc1cccc([C@H]2CCCN2Cc2nc(-c3ccccc3F)oc2C)c1 12200058 OPGOEMVAYRMSRS-OAQYLSRUSA-N 366.436 5.135 0 50 FKAA Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 802215 PUSWMRTWSUBHCE-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA COc1cc2ccccc2cc1C(=O)Nc1ccc(Br)cc1C 1158327 JTQFIJTVDVIDKL-UHFFFAOYSA-N 370.246 5.172 0 50 FKAA O=C(COc1ccccc1Cl)Nc1ccc(Nc2ccccc2)cc1 1212066 KSIAHRMLDJGDIS-UHFFFAOYSA-N 352.821 5.101 0 50 FKAA CCCCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 1791952 LPWVTWIFIXNUBX-UHFFFAOYSA-N 351.884 5.001 0 50 FKAA Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1 2541690 FMETVQKSDIOGPX-UHFFFAOYSA-N 370.456 5.588 0 50 FKAA aggregator,biogenic,in-vitro O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccccc1)C1CCCCC1 4761381 CUJFVLUEOMTHBI-OAQYLSRUSA-N 371.908 5.199 0 50 FKAA COc1cccc(-c2coc3cc4oc(=O)c(-c5ccccc5)cc4cc23)c1 4820667 OEGVFVJBVDJMNC-UHFFFAOYSA-N 368.388 5.882 0 50 FKAA Cc1nn2c(=O)c(Cc3ccc(C(C)C)cc3)c(C)[nH]c2c1-c1ccccc1 9698357 HWBONPWOJOSTNW-UHFFFAOYSA-N 371.484 5.021 0 50 FKAA Cc1c(C)c(C)c2c(c1C)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 101010175 WYQMNPVJLIUOAZ-DNQXCXABSA-N 362.516 7.173 0 50 FKAA COc1ccc([C@@]2(CCN[C@@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 892482 ILBAKKLPGWDQKA-CYFREDJKSA-N 367.533 5.263 0 50 FKAA biogenic Cc1ccccc1-c1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2n1 995336 FBRAENZVFVJJQV-ROUUACIJSA-N 358.485 5.613 0 50 FKAA CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1SC 1013279 NEXBAOPHFWGWTK-UHFFFAOYSA-N 355.381 5.078 0 50 FKAA Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)nc1 1112954 VSBKQAHELUOUFA-UHFFFAOYSA-N 367.452 5.474 0 50 FKAA O=C(Nc1ccccc1F)c1ccc(CSCc2ccccc2)cc1 2979783 FXDLJRKDWPWQLH-UHFFFAOYSA-N 351.446 5.511 0 50 FKAA CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 3908499 MIOPEGLZQSMOPA-GFCCVEGCSA-N 353.249 5.053 0 50 FKAA CC(=O)c1sc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc1C 4011573 AAMSNHCSTIRCBX-IBGZPJMESA-N 361.470 5.010 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 4309651 GIZWTAHQOFLVSD-RBBKRZOGSA-N 360.844 5.582 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)cc1 5739440 DTEROEPXHJMAAB-PXNSSMCTSA-N 350.418 5.130 0 50 FKAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC(CCc2ccccc2)CC1 12583323 PDFWXLNLWWWUGD-UHFFFAOYSA-N 374.484 5.190 0 50 FKAA c1ccc(-c2cc(N3CCCCC3)n3ncc(-c4ccccc4)c3n2)cc1 27585887 CRAYHCYIHXPSKH-UHFFFAOYSA-N 354.457 5.054 0 50 FKAA O=C(c1ccc(-c2ccsc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 71749521 IABNLZRRXGICFI-GOSISDBHSA-N 362.498 5.220 0 50 FKAA Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ccc(Cl)nc1Cl 170616880 GBMVDDRLZLALCY-NSHDSACASA-N 358.338 5.470 0 50 FKAA C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)C[C@@H]1C=CCC1 229730761 IGIROEGAKUJRHL-BZUAXINKSA-N 374.912 5.038 0 50 FKAA CCc1ccc(C2=NN3[C@H](c4ccccc4C)Oc4ccccc4[C@H]3C2)cc1 248063879 FCRPJQOMWNSUII-NOZRDPDXSA-N 368.480 5.800 0 50 FKAA CCC[C@H](F)Cn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21 575440667 HSKUHSPFXOBHMD-SFHVURJKSA-N 374.459 6.185 0 50 FKAA in-vitro CCOC(=O)c1ccc2c(c1)[C@@](C)(c1ccc(Cl)cc1)CC(C)(C)N2 1857526042 CDNMPPORUGSFOI-OAQYLSRUSA-N 357.881 5.417 0 50 FKAA Oc1ccc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c23)cc1 1875334219 FIBCPPIHPGIXLH-UHFFFAOYSA-N 373.481 5.553 0 50 FKAA CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccco1 948449 BIGWFNOAZGZFLZ-UHFFFAOYSA-N 369.442 5.054 0 50 FKAA Cc1sc2ncnc(Nc3ccc(C(=O)O)cc3)c2c1-c1ccccc1 957812 HWZFDXMSOARZOR-UHFFFAOYSA-N 361.426 5.109 0 50 FKAA CSc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 1121465 HSXBKMPTNSMTTQ-UHFFFAOYSA-N 365.523 5.953 0 50 FKAA CCCCN(CCCC)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 2171694 XZKSPLFHMJCPSL-UHFFFAOYSA-N 351.705 6.081 0 50 FKAA COc1ccc(N[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 2841436 WLXKUTGEBUEHGQ-OAQYLSRUSA-N 365.860 5.775 0 50 FKAA CC[C@@H](C)c1ccc(-n2nc(C)c(C(=O)O)c2-c2ccc(Cl)cc2)cc1 4237730 RGEIJNMVNWZMAD-CYBMUJFWSA-N 368.864 5.713 0 50 FKAA COc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1 4542141 KEPMIMGJTVXRAZ-ZRDIBKRKSA-N 353.805 5.261 0 50 FKAA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 4834032 DUNJALBTBIXIOW-UHFFFAOYSA-N 352.305 5.330 0 50 FKAA Cc1cccc2c1-c1sc(C(=O)Nc3ccc(F)cc3F)cc1CO2 5048054 UXQPRWBOYIYVRL-UHFFFAOYSA-N 357.381 5.146 0 50 FKAA C1=C(c2ccccc2)S/C(=C2/SC=C(c3ccccc3)S2)S1 6885001 UXYULNILNJCKTO-ZCXUNETKSA-N 356.562 7.070 0 50 FKAA O=C(CS[C@H]1CCc2c(Cl)cccc21)Nc1ccccc1Cl 170619274 ZNRQZBUMDGTUKT-INIZCTEOSA-N 352.286 5.353 0 50 FKAA Brc1ccsc1-c1noc(-c2cccc(-n3cccc3)c2)n1 1875337960 KMEZUGPYVMIBNM-UHFFFAOYSA-N 372.247 5.018 0 50 FKAA O=C(c1ccccc1)c1ccc(NC(=O)c2scc3c2CCCC3)cc1 718509 PSDQLCAOKDTDHK-UHFFFAOYSA-N 361.466 5.110 0 50 FKAA CCOC(=O)c1c(C)oc2ccc(OCc3ccc(F)cc3Cl)cc12 728025 RAZGBFNRWXLMHE-UHFFFAOYSA-N 362.784 5.289 0 50 FKAA biogenic C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)NC1CCCCC1 852650 KWWQJROKPOOZHQ-UWJYYQICSA-N 363.505 5.481 0 50 FKAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 992937 KFEGSHLTKMOXHP-NRFANRHFSA-N 364.828 5.429 0 50 FKAA Cc1cc(-c2ccccc2)n2ncc(-c3cccc(Br)c3)c2n1 1150873 PPRCZMKXRQNAMM-UHFFFAOYSA-N 364.246 5.134 0 50 FKAA c1ccc2sc(SCCSc3nc4ccccc4s3)nc2c1 1732081 SLNISRYXTNUMTF-UHFFFAOYSA-N 360.554 5.790 0 50 FKAA in-vitro CCc1cccc(CC)c1NC(=O)c1ccccc1CCc1ccccc1 1777334 CNRQVEFZMBDAPI-UHFFFAOYSA-N 357.497 5.849 0 50 FKAA aggregator COc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)cc1 2751758 UXBVJTGSIVXLRH-UHFFFAOYSA-N 367.832 5.180 0 50 FKAA Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 2978445 SULPZBMRRULJGH-UHFFFAOYSA-N 373.692 5.082 0 50 FKAA FC(F)(F)c1nc(Nc2cccc3ccccc23)sc1-c1ccccc1 3878409 GQNNBJONMHVQDT-UHFFFAOYSA-N 370.399 6.726 0 50 FKAA COc1cccc2c1O[C@@H](C1CCCCC1)N1N=C(c3ccccc3)C[C@@H]21 216139799 AYRZSUCARUPAIH-REWPJTCUSA-N 362.473 5.145 0 50 FKAA CC[C@@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 918735979 FQCZQDHJAADEAG-SJORKVTESA-N 357.803 5.133 0 50 FKAA Cc1nc(NC(=O)c2cccc(-c3ncc[nH]3)c2)cc(-c2ccccc2)c1C 1857720950 RQXKJQXSSJEAHX-UHFFFAOYSA-N 368.440 5.008 0 50 FKAA O=c1n(Cc2c(Cl)oc3ccccc23)c2ccccc2n1-c1ccccc1 1875342090 XFVZKCLMFZMVOG-UHFFFAOYSA-N 374.827 5.240 0 50 FKAA Cc1ccc2c(c1)CC[C@H](C(=O)OCc1ccc(Cc3ccccc3)cc1)O2 1875342662 BMBJGJRGWSMYHM-XMMPIXPASA-N 372.464 5.023 0 50 FKAA Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccc(Cl)cn23)cc1 623240 VIFHSAFVQQSQLX-UHFFFAOYSA-N 367.861 5.277 0 50 FKAA Cc1ccc(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 630265 GLADQIREEQXIGR-UHFFFAOYSA-N 370.404 5.030 0 50 FKAA Cc1cccc(-c2noc(COc3cc(Cl)c(Cl)cc3Cl)n2)c1 1115923 MUFOMQDCTAYHLT-UHFFFAOYSA-N 369.635 5.584 0 50 FKAA CCOc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2C)cc1 1180485 NZAYVCIAWXCJGB-UHFFFAOYSA-N 372.877 5.423 0 50 FKAA Cc1ccccc1C(=O)N1c2c(C)cccc2[C@H](Nc2ccccc2)C[C@@H]1C 2260600 IPICHAAZNFFADX-WMZHIEFXSA-N 370.496 5.896 0 50 FKAA Cc1ccccc1OC(=O)c1cc(-c2ccccc2)nc2c(C)cccc12 2578236 FALYZZVIQLKIFJ-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA O=C(O)Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1 4182896 DUYDZCXMDIODGM-UHFFFAOYSA-N 373.477 5.468 0 50 FKAA Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccs2)c1 19787773 OVLJOHISSROMIX-JOCHJYFZSA-N 360.482 5.083 0 50 FKAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)c2c1 95360438 PAIIWIWKEXRIIY-OAQYLSRUSA-N 362.448 5.276 0 50 FKAA CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(C)[C@H](C)O)[C@@H]3CC[C@@]2(C)C1 257347697 QUWRCMPXPZEVLG-GVYYDVJWSA-N 362.598 5.821 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](C(C)C)CC[C@H]32)C1 257348186 BZAWVWWSERJTFM-SBRBFUJMSA-N 360.582 6.233 0 50 FKAA O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCCc2c1[nH]c1ccccc21 409413991 YFILYBWASDEPEV-QFIPXVFZSA-N 371.484 5.166 0 50 FKAA biogenic Cc1nc(C(=O)N(CCC2=CCCCC2)Cc2ccc(F)cc2)cs1 952974063 IBPHEQKTFFBWKA-UHFFFAOYSA-N 358.482 5.124 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 640497 BDOVPEIAFDHKLW-UHFFFAOYSA-N 364.876 5.883 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1Cl 640825 PIJZDJGPZQDCGU-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 995088 QDYHWJVFIIMDIW-UHFFFAOYSA-N 366.464 5.449 0 50 FKAA Cc1sc(NC(=O)/C=C/c2cccc(Cl)c2)nc1-c1ccccc1 1200208 WXCHIPQNCOTDFE-ZHACJKMWSA-N 354.862 5.424 0 50 FKAA CCC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 2571294 WLRWXNJSHNQPFB-UHFFFAOYSA-N 350.485 6.385 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)s1 2733727 QBZLZAGHIWQHMK-UHFFFAOYSA-N 355.413 5.703 0 50 FKAA Cc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 4541810 BIPVINCAYQZJFX-UHFFFAOYSA-N 353.849 5.788 0 50 FKAA CCOc1cc(C(C)(C)C)ccc1[C@H]1COC(c2c(F)cccc2F)=N1 5863189 IXSZQYVWNJNRAL-QGZVFWFLSA-N 359.416 5.179 0 50 FKAA biogenic,in-vitro Cc1ccccc1-c1nc(CN(C)Cc2nc3ccccc3s2)c(C)o1 11949212 SFFJBTKMQWUTLI-UHFFFAOYSA-N 363.486 5.200 0 50 FKAA FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cnn12 20616025 JQDRXYPUVKBLIX-UHFFFAOYSA-N 366.557 5.375 0 50 FKAA CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1cccc(C(F)(F)F)c1 65337439 PNLRGASBTNNECM-OAHLLOKOSA-N 373.415 5.264 0 50 FKAA in-vitro CC(C)C(OB(OC(C(C)C)C(C)C)OC(C(C)C)C(C)C)C(C)C 169809997 JMRUPZNDIIEPEJ-UHFFFAOYSA-N 356.400 6.063 0 50 FKAA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@@]12C 257357588 OZFUSVFBHIPUTK-DGVSVCMESA-N 370.577 6.177 0 50 FKAA FC(F)(F)c1cnc(-c2csc(NCc3ccccc3)n2)c(Cl)c1 263640165 ZVPADHVUELNUPO-UHFFFAOYSA-N 369.799 5.489 0 50 FKAA Cc1cc(C)nc(-c2cccc(C(=O)N3CCCCC[C@H]3c3ccco3)c2)c1 299799713 YWJBKGJXGUDRMC-QFIPXVFZSA-N 374.484 5.716 0 50 FKAA Cc1ccccc1[C@H](c1ccccc1)n1cc(C2CCC(C(C)C)CC2)nn1 1875342719 DPYMJTPFRAGKLM-BAWHURIHSA-N 373.544 6.154 0 50 FKAA CC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 641043 GZPOLFDPOYLGKM-UHFFFAOYSA-N 372.639 5.249 0 50 FKAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2ccccc2)cc1 641133 DFXCJTWMRMUJFS-UHFFFAOYSA-N 367.836 5.736 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 821758 SVLXMNLUYODRLN-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1ccc(NC(=O)/C=C/c2ccccc2Cl)c(Br)c1 937149 BVAKHRHUWVCNNC-VQHVLOKHSA-N 350.643 5.063 0 50 FKAA Cc1nc(SCc2ccccc2)[nH]c(=O)c1Cc1cccc2ccccc12 1183229 SCGGONZINLUROJ-UHFFFAOYSA-N 372.493 5.115 0 50 FKAA c1ccc(-c2cc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1 1708713 NVAZDJPCSPGJJZ-UHFFFAOYSA-N 356.468 7.841 0 50 FKAA OC1=NC(=S)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 2307252 QGUMNKHEDYJVPV-YRNVUSSQSA-N 353.877 5.413 0 50 FKAA Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C(=O)O 2582974 GXUAWDMYWAUCOJ-UHFFFAOYSA-N 373.408 5.054 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1 2859827 ZVZTXBNQRLWNCH-UHFFFAOYSA-N 359.636 5.411 0 50 FKAA S=C(NCCCCc1ccccc1)Nc1cccc(Cl)c1Cl 17073144 RWNAHMYZEAQJQB-UHFFFAOYSA-N 353.318 5.303 0 50 FKAA O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H]1c1ccccc1Cl 21525433 FWUCFYKXFWKAGN-OAHLLOKOSA-N 358.850 5.034 0 50 FKAA CCC[C@@H]1OC(c2ccccc2)(c2ccccc2)c2ccccc2N1C(C)=O 22016945 FYSNHIATBOJRNX-DEOSSOPVSA-N 371.480 5.488 0 50 FKAA C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)C[C@@H]1C=CCC1 229730767 IGIROEGAKUJRHL-OWCLPIDISA-N 374.912 5.038 0 50 FKAA Brc1cccc2c1-c1ccccc1C21C2CC3CC(C2)CC1C3 1857775625 QGQSZWNWWFSYMK-UHFFFAOYSA-N 365.314 6.172 0 50 FKAA CN(C(=O)[C@H]1CC[C@H]1c1ccccc1Cl)c1cncc2ccccc12 2325864398 NLSYAMCPJDSBJI-WMZOPIPTSA-N 350.849 5.045 0 50 FKAA O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(Cl)c1 991239 BGZKAGKHMGKAOG-UHFFFAOYSA-N 360.800 5.169 0 50 FKAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(C(C)C)cc1 1185679 OQBQQKVSFRUTGG-UHFFFAOYSA-N 370.456 5.105 0 50 FKAA COc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 2520625 GCUYVKLQECQTRT-UHFFFAOYSA-N 361.441 5.056 0 50 FKAA Cc1cc(S(=O)(=O)Oc2ccc3ccccc3c2)c(Cl)cc1Cl 2982343 PHDHNPMMMHLWHH-UHFFFAOYSA-N 367.253 5.223 0 50 FKAA Cc1ccc2cccc(OCc3ccc(C(=O)c4ccccc4)cc3)c2n1 3105369 UMPJLZIOWQTIOJ-UHFFFAOYSA-N 353.421 5.353 0 50 FKAA CCOc1ccc([C@H](Nc2ccccc2)P2(=O)O[C@@H](C)[C@H](C)O2)cc1 3877415 KZBJJSMVWRJRAD-YZVOILCLSA-N 361.378 5.213 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1 4554767 IBRFACOOKALCEO-UHFFFAOYSA-N 374.937 5.057 0 50 FKAA O=C(C[C@H](Nc1ccc2ccccc2c1)c1ccncc1)c1ccccc1 5395032 HTXGDPZJUGWXER-QHCPKHFHSA-N 352.437 5.661 0 50 FKAA CCCc1ccc(C(=O)Nc2scc3c2c(=O)oc2ccccc23)cc1 6636481 OGDOPGFXOVRECX-UHFFFAOYSA-N 363.438 5.213 0 50 FKAA Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C\c4ccccc4)c3)nc2c1 15659685 RWIGLWBYDDIIKB-RAXLEYEMSA-N 368.436 5.764 0 50 FKAA COc1ccccc1-c1cc(C(F)F)c2c(-c3ccccc3)noc2n1 20605295 AQMKMZOLXXERFQ-UHFFFAOYSA-N 352.340 5.503 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 36352120 LNECCGXDZZLMBE-GMAHTHKFSA-N 374.871 5.891 0 50 FKAA CC[n+]1c(/C=C(/C)Nc2ccccc2)oc2ccc(-c3ccccc3)cc21 100297805 KQMVUWZYZZFEPU-UHFFFAOYSA-O 355.461 5.880 0 50 FKAA CC(C)c1nc2cc(NC(=O)N3CCC[C@H](c4ccccc4)C3)ccc2[nH]1 299763276 YQVCUSCDLBPEOO-KRWDZBQOSA-N 362.477 5.098 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 817091 AXLUIJDYVTVHPL-UHFFFAOYSA-N 359.800 5.480 0 50 FKAA CC(C)c1cccc(C(C)C)c1OCCCn1cnc2ccccc2c1=O 2863228 QASNDTCGHZHPET-UHFFFAOYSA-N 364.489 5.112 0 50 FKAA Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542177 QKTAJZNJOZAREV-ZRDIBKRKSA-N 372.251 6.214 0 50 FKAA CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N(C)Cc1ccccc1 19791788 TVEDFDMMDZSWEM-UHFFFAOYSA-N 368.864 5.010 0 50 FKAA CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccc(OC)c3)=NN12 25581875 WFSDURGUCBJQKY-QUCCMNQESA-N 356.853 5.018 0 50 FKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21 169746828 UJUSITKTVXDVLQ-UHFFFAOYSA-N 353.380 5.822 0 50 FKAA in-vitro Cc1nc(N[C@@H](C)c2cncs2)c2c(-c3ccccc3)csc2n1 170619616 IKIICWJWNDIORT-NSHDSACASA-N 352.488 5.296 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1Cl 640968 DPRKMLKKESFFEO-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 754941 PXFPHYKTIIVKCW-UHFFFAOYSA-N 365.436 5.436 0 50 FKAA aggregator Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 1150558 RDFFZIMYYNUCGJ-UHFFFAOYSA-N 369.511 5.088 0 50 FKAA CCc1cc(=O)oc2c(C)c(OCc3cccc(Br)c3)ccc12 1154150 YGWUBTNWUUOAFM-UHFFFAOYSA-N 373.246 5.005 0 50 FKAA CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1 1164727 SRMGIBLHNVEVSN-UHFFFAOYSA-N 356.425 5.871 0 50 FKAA Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)cc1 1175029 XBUHUSQHVDHOTG-XLIONFOSSA-N 350.805 5.175 0 50 FKAA O=C(CCC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 1183351 RHZZWEOALIAUTK-UHFFFAOYSA-N 368.436 5.350 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)N(C1CCCCC1)C1CCCCC1 1752693 BEQVNFDAKPQLCT-UHFFFAOYSA-N 368.443 6.205 0 50 FKAA Cc1ccc(NC(=O)c2ccccc2C)c(NC(=O)c2ccccc2C)c1 2757192 SFGRFHRZHIBXKT-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3cccc(Cl)c3)c2C)cc1 2761328 SGTNYQRKTIJVHG-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA Clc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2)cc1 4532234 ATBNZHRYPXMCQZ-OAQYLSRUSA-N 367.279 6.349 0 50 FKAA CC(=O)[C@H](C(=O)c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 100671639 CCDDWUZRKQKEPO-FCHUYYIVSA-N 360.384 5.151 0 50 FKAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccccc1)c1ccccc1 263621504 JRUKDLDAJZKDIP-IUVOSCESSA-N 371.461 6.095 0 50 FKAA CCOc1cc(CC[C@H](C)O)ccc1OCc1cccc2ccccc12 1875357976 DTZDJXHQDKZOBC-KRWDZBQOSA-N 350.458 5.131 0 50 FKAA COc1ccc(C)cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 640597 QENSTJKJSDMWLV-UHFFFAOYSA-N 360.457 5.238 0 50 FKAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)C(C)(C)C 1165758 CPUUSIFVQBCBCJ-UHFFFAOYSA-N 364.441 5.016 0 50 FKAA O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 1597759 DAKYKYJUYQRPIB-UHFFFAOYSA-N 370.279 5.836 0 50 FKAA Cc1cc(OC(=O)Nc2cccc(C(F)(F)F)c2)c(C(C)C)cc1Cl 1752739 XOPOQUGYGUBBFC-UHFFFAOYSA-N 371.786 6.402 0 50 FKAA c1ccc(-c2ccc(Oc3ccc4noc(-c5ccccc5)c4c3)cc2)cc1 2294596 ZSALHDYITPUSOC-UHFFFAOYSA-N 363.416 6.954 0 50 FKAA Cc1cc(Cl)cc(C)c1OCCCOc1c(C)cc(Cl)cc1C 3106113 OOQHIEGAERBJLW-UHFFFAOYSA-N 353.289 6.075 0 50 FKAA Clc1ccc(N2N=C(/C=C/c3cccs3)C[C@H]2c2cccs2)cc1 4315133 DRGPHXMJECBVAO-HKMNZKMDSA-N 370.930 6.484 0 50 FKAA C=C/C=C(\C=C/C)N(C(=O)Oc1ccc(NC(C)=O)cc1)c1ccccc1 4514956 WUOJYYWWSYMVFQ-ISHQYZRCSA-N 362.429 5.296 0 50 FKAA O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3F)[C@H]12 4680981 ZZVXVMRMJNDKKA-SIKLNZKXSA-N 359.425 5.606 0 50 FKAA Sc1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 5427844 LYPXCTPZMMXXAV-HUUCEWRRSA-N 362.285 5.134 0 50 FKAA COc1ccccc1-c1cnn2c(Nc3ccc(Cl)cc3)cc(C)nc12 7636238 QYXIESRMOXWSIV-UHFFFAOYSA-N 364.836 5.110 0 50 FKAA Cc1ccc(N[C@@H]2CCCN(C(=O)Nc3cccc(C)c3C)C2)cc1C 12301203 SIJHEICDVKIZKO-HXUWFJFHSA-N 351.494 5.029 0 50 FKAA O=C(COc1ccc(Cl)cc1)c1cc(Cl)c(Cl)c(Cl)c1 220133371 NBCXQLGUXHCKIR-UHFFFAOYSA-N 350.028 5.562 0 50 FKAA COC(=O)c1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cc1N 328578967 CFCWRCHHEXEIQX-UHFFFAOYSA-N 359.834 5.230 0 50 FKAA in-vitro COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C)cccc1C(C)C 622493 NUDZEPCGOSNYEU-UHFFFAOYSA-N 352.261 5.686 0 50 FKAA CSc1ccc(Cl)c(C(=O)Nc2ccc(Cc3ccccn3)cc2)c1 1062370 KGOKTHMPWYKDPG-UHFFFAOYSA-N 368.889 5.300 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1nc2c(Cl)cccc2s1 1123875 YWYMDOBWXHYSMX-UHFFFAOYSA-N 369.298 5.334 0 50 FKAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 1144047 CEEXAZXQNCMCDX-QMMMGPOBSA-N 362.615 5.192 0 50 FKAA COc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 1158558 FFCIKQUFXFLPNU-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA CCOC(=O)c1c(C(C)(C)C)oc2ccc(OC(=O)c3cccs3)cc12 1160065 UEOHVQBQYDONLN-UHFFFAOYSA-N 372.442 5.188 0 50 FKAA biogenic O=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1174398 ZXPMLWRBZQTARS-UHFFFAOYSA-N 360.034 5.147 0 50 FKAA Cc1cc(-c2ccccc2)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)n1 1189057 MQMMRYQWZWEAAW-UHFFFAOYSA-N 355.445 5.064 0 50 FKAA Cc1ccccc1-c1cc(C(=O)Nc2ncccc2C)c2ccccc2n1 1200367 NQZZSFDRLJXXQT-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA CC(C)(C)[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 7026671 DIPMRWAVRJSLCY-LBPRGKRZSA-N 370.543 5.261 0 50 FKAA COc1ccc(CN2CCC[C@@H](c3[nH]ncc3C(C)C)C2)c2ccccc12 11789349 VOXBOLUHOCXOGH-GOSISDBHSA-N 363.505 5.075 0 50 FKAA CCc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)cc1 17076005 SDMBDKDTFAMIDH-UHFFFAOYSA-N 370.543 5.331 0 50 FKAA COc1cccc(NC(=O)N2CCCCC[C@H]2c2ccccc2Cl)c1 64984531 NMPPEEBDOQXMNI-IBGZPJMESA-N 358.869 5.498 0 50 FKAA Clc1ccc(-c2ccc(C3=CC[C@@H](C4CCCCC4)CC3)cc2)cc1 71787248 BGPXUOWGKWIWAP-LJQANCHMSA-N 350.933 7.771 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 1172796 YTRBPNYYRJEWFQ-UHFFFAOYSA-N 355.393 5.021 0 50 FKAA Cc1c(Cl)c(=O)oc2cc(OCc3ccc(F)cc3)c(Cl)cc12 1183754 INIVLZORAPPXSG-UHFFFAOYSA-N 353.176 5.126 0 50 FKAA CCOc1cc(C(=O)Nc2ccccc2C(C)C)cc(OCC)c1OCC 1188618 ZJJXNSRFNYVVRB-UHFFFAOYSA-N 371.477 5.258 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 1773691 SJGYNTVFNLRXTP-UHFFFAOYSA-N 357.759 5.157 0 50 FKAA COC(=O)c1ccc(Nc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 2939235 LYUJPNFFIBDERA-UHFFFAOYSA-N 369.424 5.135 0 50 FKAA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2cccc(Cl)c2)c1C 8571153 JSBBSADPDFGDNM-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA CCOc1ccc2c3c1C(C)(C)C[C@@]3(C)N(c1ccc(F)cc1)C(O)=N2 9013373 BJSAOGYMEHIPDG-OAQYLSRUSA-N 354.425 5.187 0 50 FKAA Cc1ccc(-n2c(-c3ccccc3)cs/c2=N/Cc2ccccc2)cc1 100137903 BNZNUARUOLDZPS-WCWDXBQESA-N 356.494 5.615 0 50 FKAA CCCCC[C@H]1CC[C@H](c2ccc(I)cc2)CC1 245224621 ZVJXAYCOQJDVMP-SHTZXODSSA-N 356.291 6.145 0 50 FKAA CC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@H]4[C@H]3CC[C@H]2C1(C)C 257348030 AUBLWSIZTYPLHL-PJMGOYGCSA-N 360.538 5.166 0 50 FKAA Cc1ccccc1CNc1ccccc1NC(=O)c1cccc2c1O[C@@H](C)C2 2325843036 QZSQWLKGVVSJOU-KRWDZBQOSA-N 372.468 5.183 0 50 FKAA C[C@H](NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Cl)c2ccccc12 2325870080 IJVZYSJXDHZRCG-NXVRBGIVSA-N 370.323 6.743 0 50 FKAA C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cc(Cl)ccn2)CC1 2325895210 CJGOQLUXWVRGJB-KOMQPUFPSA-N 374.937 5.336 0 50 FKAA O=C(CCc1ccccc1)Nc1ccc(C(F)(F)F)cc1Br 643393 RSKVQSVVWMPPHJ-UHFFFAOYSA-N 372.184 5.039 0 50 FKAA CCOc1ccccc1N1CCN(CCC2=C(C)CCCC2(C)C)CC1 756624 OJSIABPYIQAQOS-UHFFFAOYSA-N 356.554 5.124 0 50 FKAA Cc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 4828261 GSKVPKAHJIPQAO-UHFFFAOYSA-N 371.889 5.044 0 50 FKAA C=C[C@@H]([C@H](Nc1ccccc1)c1ccc(Cl)cc1)n1nnc2ccccc21 5631351 YJWSYUOBCKPSBI-RBBKRZOGSA-N 374.875 5.665 0 50 FKAA O=C(NCc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 13320450 HVZGAFLHZUPMBK-UHFFFAOYSA-N 363.166 5.334 0 50 FKAA CC/C(=C(\c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1 13641250 SCVIEONTACSLJA-YGCRUXFTSA-N 370.448 5.859 0 50 FKAA CCCCC(C)(C)[C@H]1CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)C1 27647009 QDDGOACSSILOST-FUMNGEBKSA-N 364.570 6.250 0 50 FKAA in-vitro COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)nc2ccccc12 72240713 FZJLRGNZQSAAQP-UHFFFAOYSA-N 353.731 5.054 0 50 FKAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)nn1 72437245 ZGBLHVDVLQYKAQ-UHFFFAOYSA-N 368.824 5.183 0 50 FKAA C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]12C 257348554 GXQXPGFEGWVXMR-JLGIEYSGSA-N 360.582 5.191 0 50 FKAA CCOC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 257350033 UEYAIUYANUAWRC-DGVSVCMESA-N 374.609 6.625 0 50 FKAA C[C@@H](NCC[C@@H]1OCCCC1(C)C)c1cc(Cl)ccc1OC(F)F 1875330581 UKGYLRVSUAKBBB-WBMJQRKESA-N 361.860 5.187 0 50 FKAA Cc1ccccc1NC(=S)Nc1cc(Cl)ccc1Oc1ccccc1 1110573 UTRJEZBXYNLOIN-UHFFFAOYSA-N 368.889 6.250 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc(F)cc1 1141073 DFWXCZWVJILNFH-UHFFFAOYSA-N 355.796 5.310 0 50 FKAA C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1204397 LZCAGZSFFJMYCM-QGZVFWFLSA-N 363.482 5.739 0 50 FKAA Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccccc1Cl 1329963 UUWANXKVJQSRGX-UHFFFAOYSA-N 370.861 5.215 0 50 FKAA CCCC[C@H](CC)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2773640 QQNRCXWGPJMJAP-JTQLQIEISA-N 355.322 5.879 0 50 FKAA Cn1cc(C(c2ccc(O)cc2)c2cn(C)c3ccccc23)c2ccccc21 4998378 MWLBYSOSFROPIL-UHFFFAOYSA-N 366.464 5.556 0 50 FKAA CC[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 229928587 AOUWTGIEFIEWFQ-KEVKATSASA-N 371.524 5.719 0 50 FKAA CCC[C@@H](F)Cn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21 575440666 HSKUHSPFXOBHMD-GOSISDBHSA-N 374.459 6.185 0 50 FKAA in-vitro C[C@H](CCNC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 2325866691 WNZGRNHMVLHBFH-XFQXTVEOSA-N 356.897 5.079 0 50 FKAA COc1ccc(Cl)cc1NC(=O)Nc1nc2c(Cl)cccc2s1 641105 PXVGPYLUJRMQFB-UHFFFAOYSA-N 368.245 5.256 0 50 FKAA CC(C)(C)C(=O)N[C@@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 725114 UNELMBRLVIVGOC-CQSZACIVSA-N 373.711 5.110 0 50 FKAA Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2sc(C)c(C)c12 944647 JZNFSRHYNRXTAC-UHFFFAOYSA-N 367.499 5.073 0 50 FKAA CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3cccs3)C2)cc1 1077192 IILZBBNLFHZVNG-FQEVSTJZSA-N 360.482 5.302 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4C)c3)nc2c1 1114668 WMXZPZGQQNUGDN-UHFFFAOYSA-N 370.452 5.926 0 50 FKAA COc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 1164784 ZPXJQTCJESOSBL-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA CCCC(=O)N1c2cc(OC)ccc2-c2c(ssc2=S)C1(C)C 1166744 PTSBZBRSWAMXCJ-UHFFFAOYSA-N 365.545 5.596 0 50 FKAA CCOc1c(Br)cc(CNC2CCCCCCC2)cc1OC 2885203 ATTLEYLKIDJNPW-UHFFFAOYSA-N 370.331 5.059 0 50 FKAA CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 4503025 DENCLIZPHFRPAL-UHFFFAOYSA-N 374.223 5.708 0 50 FKAA CC[C@H](C)c1ccc([C@H](CC)NC(=S)NCc2ccc(F)cc2)cc1 8078338 HJNHYGKELPSCMC-YWZLYKJASA-N 358.526 5.455 0 50 FKAA O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)NCc1ccccc1 16320123 MRLHKEVFSTWSQY-JUJAOGAQSA-N 359.513 5.231 0 50 FKAA Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccn1 19840557 ODFNVXSMGKHUBQ-DEOSSOPVSA-N 353.469 5.019 0 50 FKAA Cc1noc(C)c1[C@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1 21720220 DNSNPEIOCXNZSA-JOCHJYFZSA-N 362.473 5.208 0 50 FKAA COc1cc(OC)c(NC(=O)Nc2ccc3ccccc3c2)cc1Cl 43191261 UPUUOEJSOPISQQ-UHFFFAOYSA-N 356.809 5.154 0 50 FKAA CCCCC1(CCCC)c2ccccc2-c2ccc(Br)cc21 90428427 AVCNDQUBVOMMSL-UHFFFAOYSA-N 357.335 7.096 0 50 FKAA in-vitro C[Si](C)(C)c1c(Cl)c(Cl)c(Cl)c(Cl)c1[Si](C)(C)C 169816905 YHIAKFLPOMCGAL-UHFFFAOYSA-N 360.260 5.391 0 50 FKAA O=C(Nc1cc(O)cc(-c2cccs2)c1)Nc1ccc2ccccc2c1 223775199 OBTSACXGWYGCPK-UHFFFAOYSA-N 360.438 5.918 0 50 FKAA in-vitro CC[C@@H](NC1(Cc2ccc(F)cc2C)CC1)c1ccc(OC(F)F)cc1 2325829275 DZMXUYSTDVUQFU-LJQANCHMSA-N 363.423 5.552 0 50 FKAA Cc1cccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c1 705046 HGGOFEQFYMLEFM-UHFFFAOYSA-N 365.483 5.168 0 50 FKAA CCOc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1 843712 YMOKWHRZMOBARA-ZRDIBKRKSA-N 374.396 5.138 0 50 FKAA Cc1ccc(N(C(=O)c2cc(N)cc(N)c2)c2ccc3ccccc3c2)cc1 1028425 GMSRVZVQRHCQAR-UHFFFAOYSA-N 367.452 5.291 0 50 FKAA CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl 1137335 GCSGYOGTUUXBBK-UHFFFAOYSA-N 365.260 5.230 0 50 FKAA O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2ccccc2c1 1208153 OSBRRBTYODPXMY-UHFFFAOYSA-N 364.404 5.900 0 50 FKAA Cc1cc(C)c(O)c(C(CCCCCC(C)C)c2cc(C)cc(C)c2O)c1 2170782 GBHGVMUKSJMXLH-UHFFFAOYSA-N 368.561 7.070 0 50 FKAA Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1 5013759 YGWSMQFKFPYRRP-UHFFFAOYSA-N 353.469 5.138 0 50 FKAA O=C(C[C@H](C(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 5344493 SGCUTLVWIPUSFL-LBPRGKRZSA-N 357.620 5.088 0 50 FKAA C[C@@H](c1ccccc1)n1c(Cc2cccc3ccccc23)nc2ccccc21 12383934 CBFBGZXSGZQNBJ-IBGZPJMESA-N 362.476 6.390 0 50 FKAA Cc1ccc(-c2n[nH]cc2CNCc2scnc2-c2ccccc2)cc1C 12444421 ZXYOLWHYXQYRGE-UHFFFAOYSA-N 374.513 5.107 0 50 FKAA Cc1cccc(C(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)c1 28292097 HQVBWSMMUFOSLX-UHFFFAOYSA-N 354.812 5.030 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1nc(C)co1 195756942 MDDAVWXGXAFPNH-UHFFFAOYSA-N 372.141 5.039 0 50 FKAA O=C(Nc1cccc(Br)c1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 252617542 KVFSWFSBUJJKAD-PWCSWUJKSA-N 374.322 5.716 0 50 FKAA O=C1C[C@H](c2ccccc2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 263587992 NUJXNMNBEQVEBA-LJQANCHMSA-N 370.427 5.303 0 50 FKAA COc1cccc(-n2nc(C(C)C)nc2Cc2cccc3ccccc23)c1 1875348247 KKPNYEVFQYBARQ-UHFFFAOYSA-N 357.457 5.143 0 50 FKAA O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cc(F)c(F)cc1Cl 759038 KLJNMYDYNOEIOT-UHFFFAOYSA-N 373.790 5.248 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(CC(C)C)cc3)nc12 2526067 WNTFRNGODURECC-UHFFFAOYSA-N 353.849 5.760 0 50 FKAA Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 2823124 AEWAFEBQAPEWDL-UHFFFAOYSA-N 362.311 5.049 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 2953686 XUQKCIQJSUTVPD-UHFFFAOYSA-N 372.896 5.371 0 50 FKAA CC(C)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 5060141 HHXISEDGYHUENN-UHFFFAOYSA-N 352.659 5.478 0 50 FKAA Sc1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 5427828 LYPXCTPZMMXXAV-LSDHHAIUSA-N 362.285 5.134 0 50 FKAA Cc1ccc(NC(=S)N[C@@H](Cc2ccccc2)c2ccccc2)c(C)c1 5553045 XLIOLSGWQDRJFC-QFIPXVFZSA-N 360.526 5.574 0 50 FKAA CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(-c3nc4ccccc4[nH]3)cc2c1 6917820 DDQXELHKBSPERR-UHFFFAOYSA-N 374.484 5.931 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)cc1C 20603546 UVQKYPKNKQNHBM-UHFFFAOYSA-N 373.428 5.010 0 50 FKAA CCCCN(Cc1ccncc1)C(=O)c1cccc(-c2ccc(C)nc2C)c1 426551779 IEUQZHJYGLMUPJ-UHFFFAOYSA-N 373.500 5.203 0 50 FKAA COc1ccc2c(Cl)cc(NC(=O)Nc3c(C)cccc3C)nc2c1 640682 BPKXTUAMQCILGN-UHFFFAOYSA-N 355.825 5.158 0 50 FKAA O=C(CSCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 641918 WZANJVZLMDCWLJ-UHFFFAOYSA-N 360.693 5.519 0 50 FKAA C(=C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 1568353 UTFCSPSMCNNRAK-UHFFFAOYSA-N 356.468 7.004 0 50 FKAA CC(=O)Nc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 2859287 UCCJACQBKQRDPW-UHFFFAOYSA-N 359.454 5.665 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 2881359 DNSMWHLIYKFLDS-UHFFFAOYSA-N 360.457 5.861 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 3136809 YBDWBMFGPMHLTH-UHFFFAOYSA-N 365.304 6.884 0 50 FKAA CCOc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 3195025 XZNOWIWBFNNUTA-UHFFFAOYSA-N 354.475 5.245 0 50 FKAA Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(N)cc2)cc1 3878412 OKEZMGTXDZCARO-UHFFFAOYSA-N 350.465 5.234 0 50 FKAA O=C(N[C@H]1CCCc2ccccc21)c1sc2cccc(F)c2c1Cl 6885847 YDRIOLJYZYTMEZ-AWEZNQCLSA-N 359.853 5.501 0 50 FKAA Cc1ccc(-c2nc3sccn3c2NC(=O)c2ccc(Cl)cc2)cc1 624684 PFXRYCUEURAHEX-UHFFFAOYSA-N 367.861 5.277 0 50 FKAA CC(C)c1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 677024 GBFUWDPSPFYQQZ-UHFFFAOYSA-N 361.441 5.620 0 50 FKAA O=C(C[C@@H](Nc1ccc2ncccc2c1)c1ccc(F)cc1)c1ccccc1 754958 FOMOASQJJDJECM-HSZRJFAPSA-N 370.427 5.800 0 50 FKAA Cc1ccc(-c2nc(NC(=O)c3c(C)cc(C)cc3C)sc2C)cc1 947319 REJGPRMDRCRPHQ-UHFFFAOYSA-N 350.487 5.605 0 50 FKAA Oc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 955657 QAWJNRMNRCBPSZ-UHFFFAOYSA-N 353.834 5.461 0 50 FKAA CCc1ccc(C(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 993095 QLVBPJKBELAUGX-UHFFFAOYSA-N 368.436 5.121 0 50 FKAA O=C(Nc1cccc(Cl)c1)c1c(Br)sc2c1CCCC2 1158725 BHEILPVVLLBIBL-UHFFFAOYSA-N 370.699 5.295 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(C)c(C)c1 1180200 VTHVYKLPUDRWQD-UHFFFAOYSA-N 364.514 5.940 0 50 FKAA Cc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccccc1 1200798 BOCVDLMGWCOLCT-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2nsc(-c3ccc(Cl)cc3)n2)cc1 2859268 XXPDAYLTJMLIFR-UHFFFAOYSA-N 371.893 5.408 0 50 FKAA O=C(Oc1ccccc1Br)c1sc2ccccc2c1Cl 4820519 WCRQSAPRWCMGAJ-UHFFFAOYSA-N 367.651 5.536 0 50 FKAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3nccc4ccccc34)C2)cc1 11873563 KUGFCNNBENIBPR-OAQYLSRUSA-N 373.500 5.075 0 50 FKAA CC(C)(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 25541192 MENHVRZEYBHNIS-SADHOEMSSA-N 374.565 5.556 0 50 FKAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 229921672 AFJHATDFMRTLJK-LVXYXVKQSA-N 363.457 5.021 0 50 FKAA CC(C)(C)C(=O)N[C@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 725113 UNELMBRLVIVGOC-AWEZNQCLSA-N 373.711 5.110 0 50 FKAA Brc1ccc2ncnc(Nc3cccc4ccccc34)c2c1 949364 JGXQMNJFMJIQGL-UHFFFAOYSA-N 350.219 5.289 0 50 FKAA aggregator O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(Cl)cc2)on1 4880512 GMDLUDPTYNEFNF-UHFFFAOYSA-N 366.726 5.266 0 50 FKAA Cc1ccc(NC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 5751869 MAPOFZKIFSRWNS-UHFFFAOYSA-N 367.518 5.563 0 50 FKAA CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 13328960 UGGOIJHKHFUVEW-OAHLLOKOSA-N 357.668 5.920 0 50 FKAA Cc1ccc2c(C)c(C(=O)N3CCCC[C@H]3c3cccc(F)c3)oc2c1 91320603 AQNUZIZBIREZNO-IBGZPJMESA-N 351.421 5.556 0 50 FKAA O=C(Oc1cccc2cccc(OC(=O)c3ccccc3)c12)c1ccccc1 95933684 DFCIKCMSXYOIQD-UHFFFAOYSA-N 368.388 5.278 0 50 FKAA CCOC(=O)CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC[C@@]4(C)CC[C@H]32)C1 257349370 NROMSNOPHMXOQW-LYFHLWELSA-N 362.554 5.368 0 50 FKAA Cc1c(Cl)cccc1-c1ccc(C(=O)N(C)CC[C@H]2CCCCO2)cc1 426514625 ICZHQWNZVSUBRA-LJQANCHMSA-N 371.908 5.347 0 50 FKAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 494043198 YZBDHRDBHVLASP-HZPDHXFCSA-N 367.798 5.121 0 50 FKAA FC(F)(F)[C@@H](N[C@H]1CCCc2ncccc21)c1ccc2ccccc2c1 2325828570 LEYKEBTUAFAZJW-PMACEKPBSA-N 356.391 5.505 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1Cl 639842 UYYPEFMSGJSLCG-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Cc1cccc(-c2csc(NC(=O)C3CCC3)c2C(=O)OC(C)C)c1 1002453 SDQDUYVYBLAEAH-UHFFFAOYSA-N 357.475 5.027 0 50 FKAA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccccc2F)cc1 1023038 HKVJWSUWJHFGEA-HXUWFJFHSA-N 359.444 5.387 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 1210528 ZRSFGCASVXQYEW-UHFFFAOYSA-N 358.397 5.070 0 50 FKAA C=C(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C 3152423 IPUAADANTWKVJD-UHFFFAOYSA-N 356.336 5.544 0 50 FKAA Cc1cccc(CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 4827414 PSKORFJBKLDKCS-UHFFFAOYSA-N 365.498 5.007 0 50 FKAA CCOc1ccc(-c2cc(C(=O)O)c3cc(C)cc(C)c3n2)c(OCC)c1 6047844 FYBKEUMHOZVPJP-UHFFFAOYSA-N 365.429 5.014 0 50 FKAA Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 25583210 RGOBTVJUKQHQPX-RBBKRZOGSA-N 362.379 5.207 0 50 FKAA Fc1cccnc1N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67739567 XPYBUNKUBBMMJE-UHFFFAOYSA-N 371.415 5.105 0 50 FKAA c1ccc2c([C@H]3CCCN3Cc3noc(C4CCCCC4)n3)cccc2c1 1875356483 LZEXRKXNERCFCR-OAQYLSRUSA-N 361.489 5.608 0 50 FKAA Fc1cccc(Cl)c1CNc1ccc(-c2nc3ccccc3[nH]2)cc1 679759 VONGTDRNTYNLRQ-UHFFFAOYSA-N 351.812 5.635 0 50 FKAA Cc1ccc([S@@](=O)/C(Cl)=C/c2ccc(Br)cc2)cc1 690419 FFVMVOQVFOLFKZ-XATQLNLPSA-N 355.684 5.103 0 50 FKAA Brc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 751748 SEIXUAGFENGIIT-UHFFFAOYSA-N 361.264 5.125 0 50 FKAA CCC[C@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 819899 FLXZKXXLGLNOEG-APPDUMDISA-N 350.871 5.119 0 50 FKAA O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccccc1 848269 GEWSKARAKJOSAQ-UHFFFAOYSA-N 362.376 5.005 0 50 FKAA C[C@H](SCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1140022 UDUQLHGSEXVATB-NSHDSACASA-N 373.827 5.619 0 50 FKAA Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(F)cc1 1149397 LGYXXRMNQFWPKN-UHFFFAOYSA-N 351.446 5.679 0 50 FKAA S=c1sc2c(s1)S[C@@H]1CCCCCCCCCC[C@H]1S2 2189263 IHUAOFOFJHWYCF-VXGBXAGGSA-N 362.676 7.389 0 50 FKAA CC(C)(C)c1ccc(-c2nn(CNc3ccc(Cl)cc3)c(=S)o2)cc1 2810527 WUIDQUFENDSYJL-UHFFFAOYSA-N 373.909 5.893 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(F)(F)F 3813524 PLWROONZUDKYKG-DOFZRALJSA-N 356.472 7.264 0 50 FKAA in-vivo O=C(c1cc(-c2ccc3c(c2)CCCC3)nc2ccccc12)N1CCCCC1 4833304 RQZGXUYQTCGJMN-UHFFFAOYSA-N 370.496 5.407 0 50 FKAA CCC(CC)n1ncc(C)c1NC(=O)C[C@@H](c1ccccc1)c1ccco1 55413965 YQRYUECUSJMJOX-IBGZPJMESA-N 365.477 5.306 0 50 FKAA N[C@@H](c1ccc(Cl)cc1Cl)[C@@H](N)c1ccc(Cl)cc1Cl 732113 UXVDOQZLEYUGHO-KBPBESRZSA-N 350.076 5.000 0 50 FKAA in-vitro COc1ccc(C(=Cc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1 984504 RDIRLFMGEPXYQF-UHFFFAOYSA-N 355.437 5.774 0 50 FKAA biogenic O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(Cl)c1 1137311 XQYKZBWSJRXRNE-UHFFFAOYSA-N 364.857 5.869 0 50 FKAA Cc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccco1 1157803 HGHAHHXTBJKBRL-UHFFFAOYSA-N 362.429 5.216 0 50 FKAA CCOc1ccccc1OCCCCOc1cc(Cl)ccc1Cl 2983707 YRJAFCZMYPUTMA-UHFFFAOYSA-N 355.261 5.630 0 50 FKAA Cc1sc(-c2ccncc2)nc1OC(=O)c1cc(Cl)cc(Cl)c1 3116622 YLNGYYLDCXFGGP-UHFFFAOYSA-N 365.241 5.040 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCCCC2)cc1 4854091 WJSFOZVZIZAXEA-FQEVSTJZSA-N 366.892 5.852 0 50 FKAA Cc1nn2c(NCc3cccnc3)cc(C(C)(C)C)nc2c1-c1ccccc1 12374425 HUOGWWCWGQFGFG-UHFFFAOYSA-N 371.488 5.009 0 50 FKAA O=C(/N=c1/scc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccccc1 101127437 LFAZCSDUYJKTJU-ZNTNEXAZSA-N 374.440 5.086 0 50 FKAA Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1O 253534486 ARYVICLZGFZHAR-XFCBCXAPSA-N 368.565 5.207 0 50 FKAA CCC[C@@H](CC1CCCC1)C(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 2325817636 IYBHCNIKXPIWNF-UKILVPOCSA-N 367.577 6.068 0 50 FKAA Cc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1-c1ccccc1 657241 XXRGZYHZBVVYSJ-UHFFFAOYSA-N 359.376 5.452 0 50 FKAA Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)ccc1Cl 1131278 DAEOWWUKQLMCNZ-NSHDSACASA-N 357.759 5.073 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)nc2c1 1211160 PFWXJNWIBHEMFT-UHFFFAOYSA-N 356.425 5.618 0 50 FKAA Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1nc2ccccc2s1 1219996 QLRNNYNXECCVKC-UHFFFAOYSA-N 362.429 5.663 0 50 FKAA CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccccc4Cl)oc(=O)c23)C1 2993797 XSKXXICVHHXCKW-NSHDSACASA-N 373.905 5.721 0 50 FKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(C(C)C)cc2)[C@@H]3CCC1 5032413 LZAVEFJXQWCPBC-RUZDIDTESA-N 372.556 6.356 0 50 FKAA CC(=O)[C@]12CCCC[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 12379284 NTISSUBFZAIVDS-QQIMNDNASA-N 370.577 5.686 0 50 FKAA biogenic Nc1cccc(Oc2ccc(-c3ccc(Oc4cccc(N)c4)cc3)cc2)c1 36453472 UCQABCHSIIXVOY-UHFFFAOYSA-N 368.436 6.103 0 50 FKAA in-vitro CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118914019 NTISSUBFZAIVDS-HOJFQYKESA-N 370.577 5.686 0 50 FKAA biogenic CCc1ccc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)cc1 1875303559 DIBLCPBCOWCKSS-UHFFFAOYSA-N 364.445 5.741 0 50 FKAA Cc1cccc(C)c1Oc1ccccc1NC(=O)c1cccc2c1NCCC2 2325841658 CDAZCSXRHPLZDJ-UHFFFAOYSA-N 372.468 5.706 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 641045 AOEYYKNITSXBFP-UHFFFAOYSA-N 364.832 5.523 0 50 FKAA Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 752277 CFPLKSGZVYWHPE-UHFFFAOYSA-N 351.368 5.155 0 50 FKAA Cc1ccc(-c2cc(C(=O)Oc3ccc(C=O)cc3)c3ccccc3n2)cc1 1110595 AYCPQOYETKTZSM-UHFFFAOYSA-N 367.404 5.242 0 50 FKAA CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 1165533 UOCBJLNWWZKELE-UHFFFAOYSA-N 358.441 5.200 0 50 FKAA O=c1cc(C(F)(F)F)c2ccc(OCc3c(F)cccc3Cl)cc2o1 1168488 VMMOFHURPTUBCJ-UHFFFAOYSA-N 372.701 5.183 0 50 FKAA CCN(CC)c1cccc(OC(=O)Nc2cccc(C(F)(F)F)c2)c1 1590801 ODHNGPQWAMSPCZ-UHFFFAOYSA-N 352.356 5.163 0 50 FKAA CC(=O)Nc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1 2310440 AULLZYWRTQFCEU-UHFFFAOYSA-N 360.438 5.088 0 50 FKAA O=Cc1sc2ccccc2c1Sc1cc(Cl)c(Cl)cc1Cl 2569437 FWPYHEWEZMHQLI-UHFFFAOYSA-N 373.713 6.825 0 50 FKAA S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc2ccccc12 2856182 OCUVTRFLZFXZER-UHFFFAOYSA-N 370.477 6.441 0 50 FKAA O=C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 4416197 ZVWHURINXJWEER-UHFFFAOYSA-N 364.448 6.783 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)Nc3ccncc3)cc(-c3ccccc3)nc12 6399472 QOZNVMXMUUSFBT-UHFFFAOYSA-N 373.843 5.511 0 50 FKAA O=C(NCCc1c[nH]c2ccccc12)c1sc2ccccc2c1Cl 13961437 HQHCPPBOXOIDJN-UHFFFAOYSA-N 354.862 5.009 0 50 FKAA CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C(C)=O 253595586 GIYJTJPCTWLLOH-WTZLQPIHSA-N 360.538 5.166 0 50 FKAA COc1ccc(OCCCOc2c(Cl)cc(Cl)cc2Cl)cc1 2987061 HUKBSNMWUCSULC-UHFFFAOYSA-N 361.652 5.503 0 50 FKAA CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc21 71624453 QRMLAMCEPKEKHS-UHFFFAOYSA-N 361.488 7.404 0 50 FKAA in-vitro CCC[C@@H](F)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71789388 UYTSDBWWEGEPLY-GOSISDBHSA-N 359.444 6.164 0 50 FKAA in-vitro Cc1noc2ncnc(N[C@@H](C)c3ccc(Oc4ccccc4)c(F)c3)c12 2325879229 NAGUXUKXBDITCF-LBPRGKRZSA-N 364.380 5.031 0 50 FKAA CC(C)CC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 724661 FRVFUHMFHLBBBN-UHFFFAOYSA-N 373.250 5.242 0 50 FKAA Cc1sc(NC(=O)c2cccs2)nc1-c1ccc(Cl)c(Cl)c1 1186242 OSTBGGFTIWFKJD-UHFFFAOYSA-N 369.298 5.739 0 50 FKAA CCc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 2777272 GXMGVXAGFGHTJF-UHFFFAOYSA-N 367.314 5.600 0 50 FKAA COc1c(C)cccc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 2884244 ITKIQEHPHBUNSL-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA CC(=O)c1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 2976536 VDARIGPSVIJLOT-NSQNTRMNSA-N 367.448 5.125 0 50 FKAA S=c1[nH]nc(CSCc2ccccc2Cl)n1C1CCCCC1 5636832 DFBXAKHLLSUYNY-UHFFFAOYSA-N 353.944 5.533 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 19924531 YFMSIVMSEGIVCP-UXMHYFAKSA-N 358.522 5.086 0 50 FKAA biogenic FC(F)Oc1ccc(/C=C\c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 20608511 JUGFIGJRDZERSN-UTCJRWHESA-N 372.415 5.309 0 50 FKAA CC1(C)c2ccccc2-c2cc(Nc3ccccc3-c3ccccc3)ccc21 148708776 BATWIZHAVGUXTO-UHFFFAOYSA-N 361.488 7.404 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1cccnc1 169743737 CFQJBWKKHCMCGJ-UHFFFAOYSA-N 368.153 5.138 0 50 FKAA O=C(O)c1cc(-c2ccccc2OCCc2ccccc2)cc2cccnc12 2325823057 DAVNIFXOLOFHHE-UHFFFAOYSA-N 369.420 5.222 0 50 FKAA O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 681004 JAHICCRVFYGEOV-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA CCOC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccccc1 845390 KMEQREVRLSVIMO-UHFFFAOYSA-N 370.246 5.149 0 50 FKAA Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccco1 851497 NEVVRUDKXFSGJC-UHFFFAOYSA-N 373.524 6.003 0 50 FKAA Cc1nn(-c2ccccc2)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 2733849 AKDSQXYOUZEGEB-UHFFFAOYSA-N 369.346 5.120 0 50 FKAA COc1ccc(CNCC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4027072 HBNBFAARFWTUME-JTHBVZDNSA-N 367.533 5.164 0 50 FKAA biogenic COc1ccc(C[C@H](C)NCCC(c2ccccc2)c2ccccc2)cc1 4989320 JBDNRLFNOXESPO-FQEVSTJZSA-N 359.513 5.438 0 50 FKAA Cc1ccc([C@H](O)c2nc3ccccc3n2CSc2ccccc2)cc1 5285932 YFLHDJYWLRIATC-NRFANRHFSA-N 360.482 5.176 0 50 FKAA Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3cccc(F)c3)c(C)o2)o1 12593534 JJHQSAZKYJXAGA-LJQANCHMSA-N 354.425 5.418 0 50 FKAA Cc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 12617441 XUOKYNFKRSLXCX-FYYLOGMGSA-N 374.871 5.891 0 50 FKAA CC(C)=CCC[C@H](C)CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 14996931 NBEVJNPUGAFVMG-SFHVURJKSA-N 366.505 5.031 0 50 FKAA CCOc1cc(/C=C2\Oc3ccccc3[C@H]2O)ccc1OCc1ccccc1 16447550 XABXNVQCNHRONA-GBQPJDALSA-N 374.436 5.131 0 50 FKAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2nc(C(C)C)cs2)C1 19218755 FCCWHFWWQMEDDQ-HNNXBMFYSA-N 374.575 5.083 0 50 FKAA CCCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCC(C)CC1)CC3=O 888088261 BNKNAXAUVRFVCS-UHFFFAOYSA-N 368.473 5.358 0 50 FKAA CC(C)(C(=O)N1CC[C@H]2CCCCC[C@H]2C1)c1ccc(F)c(Cl)c1 2325825361 NLGMCDVAAHMNOM-CABCVRRESA-N 351.893 5.186 0 50 FKAA O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 639843 IMDDDJBDFZQNJH-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA in-vivo Cc1cc(OC(=O)Nc2ccc(Cl)cc2C)c(C)cc1Br 640883 SIZFFTLADRJFNL-UHFFFAOYSA-N 368.658 5.639 0 50 FKAA Fc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3[nH]2)cc1 1080748 OOKRCVWXJMDVRD-UHFFFAOYSA-N 353.400 5.803 0 50 FKAA COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3C4=O)o2)cc1 1512677 SVICLWPFAQYZLX-UHFFFAOYSA-N 353.377 5.229 0 50 FKAA in-vitro FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NCc2ccco2)n1 2458843 VQYDUGIGFPNBAI-UHFFFAOYSA-N 353.731 5.021 0 50 FKAA FC(F)(F)c1ccc(Cl)c(Nc2nc(-c3cccnc3)cs2)c1 2859691 RQLWBYNRNPZTNX-UHFFFAOYSA-N 355.772 5.621 0 50 FKAA FC(F)(F)c1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1 2900905 UUHOHOIBFVLLPP-UHFFFAOYSA-N 370.399 6.726 0 50 FKAA Cc1ccc(NC(=O)/C=C/c2cc(-c3ccccc3)cs2)cc1Cl 4542078 XMTSTAFDLHAIEG-MDZDMXLPSA-N 353.874 6.029 0 50 FKAA OCc1ccc(CN2CC[C@H](c3cccc(F)c3)Sc3ccccc32)o1 12099013 YHGPEIRWQSYLBL-HXUWFJFHSA-N 369.461 5.155 0 50 FKAA Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 13511083 IPFAHQMMJIBHEM-WIYYLYMNSA-N 364.832 5.484 0 50 FKAA Cc1cccc(N[C@H](c2ccc3ccc(C)nc3c2)c2ccccc2F)n1 68675252 FUOXBZISWPXQRR-HSZRJFAPSA-N 357.432 5.587 0 50 FKAA CC(C)N(C(C)C)P(OCC[Si](C)(C)C)OCC[Si](C)(C)C 169910671 UCVPTNNSVPPRRA-UHFFFAOYSA-N 365.647 6.042 0 50 FKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1 828365 CHLVKQBDVQGHAX-KKSFZXQISA-N 360.432 5.418 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)cc1 997588 LVBWVERKXTVQQW-UHFFFAOYSA-N 359.454 5.173 0 50 FKAA C[C@H]1CCc2c(sc3ncnc(SCc4ccccc4Cl)c23)C1 1778559 ZNHVPSUSKICTBY-NSHDSACASA-N 360.935 5.762 0 50 FKAA CCCCC(=O)O[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 2605689 QMDIZEWVDJAUDA-LAUBAEHRSA-N 365.473 5.209 0 50 FKAA CSc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 2823547 SLQXVBOSKDWFGG-QGOAFFKASA-N 351.471 5.051 0 50 FKAA CC(=O)Oc1ccc(-c2csc(Nc3cc(Cl)ccc3C)n2)cc1 5063921 LXPPWKOYAFERDC-UHFFFAOYSA-N 358.850 5.441 0 50 FKAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 5164099 YUSNVRPMAQCXJP-JTHBVZDNSA-N 374.415 5.077 0 50 FKAA Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12193161 UBVXHUKPVXAOFV-GGAORHGYSA-N 374.871 5.891 0 50 FKAA Cc1noc(C)c1[C@H](C)CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 153624019 YRAZCIYEHBZYKV-JLTOFOAXSA-N 365.477 5.020 0 50 FKAA CO[C@H]1CCC[C@H](Cc2nc(-c3ccc(C)cc3)nn2CC(C)(C)C)C1 1875349068 LPTZUXCMKUKEBJ-HKUYNNGSSA-N 355.526 5.047 0 50 FKAA Cc1cc(C)c(C)c(OCc2nc(-c3cccc(Br)c3)no2)c1 1059624 NJCNUMMRXUDMJZ-UHFFFAOYSA-N 373.250 5.003 0 50 FKAA Cc1ccc(NCC(=O)SCc2csc(Nc3ccccc3)n2)cc1 1077873 VDDNSLQQLMAQRZ-UHFFFAOYSA-N 369.515 5.067 0 50 FKAA O=C(c1cccc(Br)c1)N(c1ccccc1)c1ccccc1 1233737 SKNDHYRQCXPMCA-UHFFFAOYSA-N 352.231 5.428 0 50 FKAA c1ccc(Cc2nc3ccccc3n2CCCCOc2ccccc2)cc1 13018442 QZUSRHDTMGOVBR-UHFFFAOYSA-N 356.469 5.486 0 50 FKAA CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(OC)cc21 95705075 YFQNBXNHANIAJR-UHFFFAOYSA-N 357.453 5.834 0 50 FKAA in-vitro CC[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 229656873 MARXIEPXUFOSFT-QUCCMNQESA-N 361.482 5.260 0 50 FKAA Cc1ccc(C2=NN3[C@H](c4cccc(F)c4)Oc4ccccc4[C@H]3C2)cc1 248124819 ZPBADUMYLROSHU-GGAORHGYSA-N 358.416 5.376 0 50 FKAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](CC(C)C)CC(=O)O2 253411816 PEBNPSNRXDYVLT-MRXNPFEDSA-N 362.425 5.207 0 50 FKAA biogenic CC(C)CCC[C@@H](C)[C@@H]1C=C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C 257349923 SRDSINWZFIYKJZ-HTEMFJRPSA-N 370.665 8.274 0 50 FKAA CCC[C@H]1C=CCN1C(=O)c1cccc(-c2ccc(OC)c3ncccc23)c1 534676156 WQFUPMJCQGLWKV-IBGZPJMESA-N 372.468 5.091 0 50 FKAA Cc1cc(C)cc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c1 1163607 QNXUJPMIKVLWKD-RSMFLLDRSA-N 367.492 5.929 0 50 FKAA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(Cl)c1 1209440 UPXZPKUFJDJOMQ-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CC(=O)Nc1c(Cl)c(Cl)c2c(c1Cl)Cc1cc(Cl)ccc1-2 1688066 WQRUPKUYVMSSBU-UHFFFAOYSA-N 361.055 5.830 0 50 FKAA Cc1ccc(C)c(NC(=O)Oc2ccc(Cl)cc2Cc2ccccc2)c1 1741862 CMBBYNURZMMGTL-UHFFFAOYSA-N 365.860 6.159 0 50 FKAA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 4811777 VEKQAUPIYRKPFN-FYYLOGMGSA-N 374.871 5.891 0 50 FKAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1[C@@H](C)CCC[C@H]1C 18210469 RHXIAGBJGOVMSO-PHIMTYICSA-N 367.276 5.360 0 50 FKAA C[C@H]1CC[C@H](C)P1c1sc2ccccc2c1P1[C@@H](C)CC[C@@H]1C 34030694 LDQZIAAVXCYZQO-VGWMRTNUSA-N 362.459 6.257 0 50 FKAA CCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2CC)c1 641420 ICTGTPICAYPARH-UHFFFAOYSA-N 372.468 5.316 0 50 FKAA Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2C)cc1 1066322 YLTLTXOETYVBGJ-ZDUSSCGKSA-N 364.308 5.185 0 50 FKAA O=C(Oc1c(C(=O)c2ccccc2)sc2ccccc12)c1ccccc1 1148050 KBPSJHROORZQMQ-UHFFFAOYSA-N 358.418 5.352 0 50 FKAA CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(N)c23)CS1 1293839 DHRLJXUDQPHNHS-UHFFFAOYSA-N 373.572 5.134 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 3860692 CRRKVZVYZQXICQ-RJJCNJEVSA-N 358.522 5.086 0 50 FKAA biogenic,in-vitro C[C@H]1C[C@H](OC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C 4654026 GRQROJVOZIQILL-MBNYWOFBSA-N 372.292 5.080 0 50 FKAA Cc1c(OCC(=O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 4745985 LMBRLFLWLMZYIO-UHFFFAOYSA-N 370.404 5.030 0 50 FKAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CCCCC1 6283234 VODYRDZBDNQLLF-UHFFFAOYSA-N 361.445 5.463 0 50 FKAA Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)[nH]c2c1 18220104 IDDSVYCQIAZSAO-UHFFFAOYSA-N 361.832 5.444 0 50 FKAA CCn1c2ccccc2c2cc(CNCc3ccc(OC)c(OC)c3)ccc21 23634123 AOSSYWPSCXQZOY-UHFFFAOYSA-N 374.484 5.121 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@H](CC)C(=O)O 113493445 VOGXDRFFBBLZBT-FRSSMCBVSA-N 374.565 6.788 0 50 FKAA investigational CCC[C@H](N[C@@H]1CCC[C@H]1CCO)c1ccc(Oc2ccccc2)cc1 2325822270 NKZHDOLKHHWVNJ-OFAXGOBFSA-N 353.506 5.461 0 50 FKAA CCc1cccc(C)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1 640732 UTEJXRQVGZWKEU-UHFFFAOYSA-N 358.485 5.792 0 50 FKAA O[C@H](c1cccc2ccccc12)c1nc2ccccc2n1Cc1ccccc1 822678 DEDGWZIMHQJXKD-XMMPIXPASA-N 364.448 5.320 0 50 FKAA CC(C)(C)c1cc(C2=N/C(=C/c3ccco3)C(=O)O2)cc(C(C)(C)C)c1 822904 BXJPWZSVQICIMU-QGOAFFKASA-N 351.446 5.219 0 50 FKAA Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CCC(=O)O 941040 PTAQSYCAZMXLFA-UHFFFAOYSA-N 355.437 5.758 0 50 FKAA O=C(Oc1ccc(C2SCCS2)cc1)c1cccc(C(F)(F)F)c1 1095898 IACZGDJFKBXKTC-UHFFFAOYSA-N 370.417 5.403 0 50 FKAA CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 1112765 UMPIPQGGPJJTKQ-ZDUSSCGKSA-N 354.450 5.715 0 50 FKAA Clc1cccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 1877734 XNGXGYLVLVGIGJ-UHFFFAOYSA-N 371.676 5.989 0 50 FKAA CC(C)(C)c1cc(NC(=O)c2csc3c2CC[C@@H](C(C)(C)C)C3)no1 2754888 OSQIIXSRTJVTNN-GFCCVEGCSA-N 360.523 5.437 0 50 FKAA CC(C)(C)c1ccc(OC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 4542240 UACWREFABLXUNK-UHFFFAOYSA-N 359.469 5.630 0 50 FKAA CCCCc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 4616852 HMZBYAMCUJETAK-UHFFFAOYSA-N 374.509 6.864 0 50 FKAA CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C 5440864 CJFLBOQMPJCWLR-UHFFFAOYSA-N 370.574 6.066 0 50 FKAA biogenic O=S(=O)(NC1CCCCCCCCCCC1)c1ccc(Cl)s1 17074848 ZUSOIJCLEYFVOB-UHFFFAOYSA-N 363.976 5.353 0 50 FKAA c1ccc([C@H](CCC2CC2)Sc2nnc3c(n2)[nH]c2ccccc23)cc1 708467 IWIPLOXCLPSDNJ-SFHVURJKSA-N 360.486 5.530 0 50 FKAA CCc1ccc(-c2csc3ncn(Cc4ccc(C)cc4)c(=O)c23)cc1 955180 PKTZAZJYWSXZDJ-UHFFFAOYSA-N 360.482 5.044 0 50 FKAA FC(F)(F)c1cc(-c2cccs2)nc(Nc2nc3ccccc3o2)n1 1424401 AYULLHRYBLVTJR-UHFFFAOYSA-N 362.336 5.109 0 50 FKAA CC(C)COP(=O)(Nc1ccc(Br)cc1)OCC(C)C 2810086 YBPSXAXUSJCLOU-UHFFFAOYSA-N 364.220 5.314 0 50 FKAA COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[C@@H]1CCCCO1 43762367 RWIMUWIOMDXNIY-JQVVWYNYSA-N 362.510 5.078 0 50 FKAA C[C@H]([C]1[CH][CH][CH][C]1[P@@H](=O)c1ccccc1)P(C(C)(C)C)C(C)(C)C 103623788 JGOALLXUGNKHTM-MRXNPFEDSA-N 361.426 6.072 0 50 FKAA Brc1ccccc1N(Cc1ccccc1)Cc1ccccc1 149866662 MBNNLNZGZXEHIP-UHFFFAOYSA-N 352.275 5.656 0 50 FKAA CC[C@@H]1CCC[C@H]1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 225420589 NAFUUTRIHBLRER-UEKVPHQBSA-N 354.281 5.273 0 50 FKAA Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 868892 RCIQALXTXAYNJU-UHFFFAOYSA-N 351.258 5.644 0 50 FKAA CCOC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 1176773 NCDJGRWSSPNSNH-UHFFFAOYSA-N 369.804 5.029 0 50 FKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 1206553 MSQFPFLHKLFAJJ-SNVBAGLBSA-N 370.699 5.222 0 50 FKAA Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 1413869 HBCNFWFQLKWKDP-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA CCCCC(=O)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 2997309 VIJWKXVCVWTUAY-UHFFFAOYSA-N 363.244 5.930 0 50 FKAA COc1ccc(C2=NN(c3ccc(C=O)cc3)[C@@H](c3ccc(F)cc3)C2)cc1 5092135 RAZPSGWAVCSMCQ-HSZRJFAPSA-N 374.415 5.003 0 50 FKAA C[C@@H](NC(=O)/C=C(\N[C@H](C)c1ccccc1)c1ccccc1)c1ccccc1 5285734 RELZJOZXRBOZIZ-VWOKJGFZSA-N 370.496 5.256 0 50 FKAA Cc1oc(-c2cccc(F)c2F)nc1CN1CCCC[C@@H]1c1cccnc1 12435957 ZGMQZLFWKCBASO-LJQANCHMSA-N 369.415 5.050 0 50 FKAA CCC[C@@H](C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 68244643 XRPUJSGGRFQZPJ-MRXNPFEDSA-N 353.849 5.832 0 50 FKAA Clc1ccc(N2N=C(c3ccccc3)NN2c2ccc(Cl)cc2)cc1 98045319 JJYBHNJEJMWWBF-UHFFFAOYSA-N 369.255 5.101 0 50 FKAA COc1ccc(NC(=O)Oc2ccc(-c3ccccc3)cc2Cl)cc1 641060 QHCQSRZXIPBJNZ-UHFFFAOYSA-N 353.805 5.627 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3ccccc3n2)c(C)c1 670315 SWECLGRHADMVOY-KRWDZBQOSA-N 358.485 5.391 0 50 FKAA CC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 1085075 JKUKLCAMKTZAPR-UHFFFAOYSA-N 361.466 5.434 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)N[C@@H](C)c2cc(OC)ccc2OC)cc1 1120592 GLYZPMSFLGUUDB-CABCVRRESA-N 372.534 5.265 0 50 FKAA O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1 1149133 XDJAFGYQFRBDFP-UHFFFAOYSA-N 368.230 5.494 0 50 FKAA Cc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1C 1153492 SFOOXYYHGDQOLW-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA Cc1ccc2nc(-c3ccc(C4CCCCC4)cc3)c(C)c(C(=O)O)c2c1 2111618 WDJLFQKYSFUOAD-UHFFFAOYSA-N 359.469 6.265 0 50 FKAA O=C(Nc1cccc(SC(F)(F)F)c1)c1ccc(Cl)cc1Cl 2679948 BVTZTOAZUSNINK-UHFFFAOYSA-N 366.191 5.858 0 50 FKAA CCOc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1 2836536 AFBMVVWTWKHNKM-UHFFFAOYSA-N 365.404 5.056 0 50 FKAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)cc1 11911821 CWBQOLAOYLAVSY-HXUWFJFHSA-N 370.500 5.246 0 50 FKAA Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 20605132 SYIHRNZIZDHAOC-UHFFFAOYSA-N 361.298 5.147 0 50 FKAA Cc1cc(Nc2ccc(-c3nc(C)cs3)cc2)nc(-c2ccncc2)n1 480518367 LLDPXRJNGYEGRZ-UHFFFAOYSA-N 359.458 5.023 0 50 FKAA COc1ccccc1-c1ccc([C@@H](C)NCCCSC(F)(F)F)cc1 2325821987 SSHBVMVNKVZVGR-CQSZACIVSA-N 369.452 5.656 0 50 FKAA Clc1ccc(-c2ccc(CN[C@H]3CCCNc4ccccc43)o2)cc1 2325878109 DWYCZXSPEALFRJ-FQEVSTJZSA-N 352.865 5.637 0 50 FKAA c1ccc(/N=c2\sc3c(n2Cc2ccco2)-c2ccccc2CC3)cc1 639242 HUCBPSCIDCXIDM-FCQUAONHSA-N 358.466 5.189 0 50 FKAA Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 641802 ZTNMPRCCESGEAH-UHFFFAOYSA-N 364.681 5.064 0 50 FKAA CC(C)=C[C@H]1[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C 2013188 SBNFWQZLDJGRLK-LEWJYISDSA-N 350.458 5.761 0 50 FKAA biogenic,world CC(C)(C)N(Cc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 2323768 LISCEWAXYMLUHZ-UHFFFAOYSA-N 357.497 5.646 0 50 FKAA CCc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)cs1 2738198 UJTNQWNYXWATNV-UHFFFAOYSA-N 356.516 5.612 0 50 FKAA O=C(Nc1cccc(Br)c1)c1ccccc1-c1ccccc1 2844380 SHPWUGQGFDDBRS-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)C(Cl)(Cl)Cl)ccc21 2878483 SZMJLVKVGMKUSM-UHFFFAOYSA-N 355.652 5.123 0 50 FKAA Cc1ccc(SCCNC(=O)CCSc2ccc(Cl)cc2)cc1 2982429 QZBUXYRGDVXPOM-UHFFFAOYSA-N 365.951 5.039 0 50 FKAA Cc1onc(-c2ccccc2)c1NC(=O)Nc1c(-c2ccccc2)noc1C 3162361 UXNRZRDQHDHVAN-UHFFFAOYSA-N 374.400 5.257 0 50 FKAA COc1cc(C)cc(C)c1/C(=C(/C(=O)O)c1ccccc1)c1ccccc1 4764972 FZNFWNNAEDCWSN-GHVJWSGMSA-N 358.437 5.356 0 50 FKAA CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@@]21C 6844075 RLHIRZFWJBOHHD-HKQCOZBKSA-N 368.649 8.194 0 50 FKAA biogenic CC(C)(C)c1ccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1 17146753 QBEJVQXQWYVXEZ-UHFFFAOYSA-N 370.453 5.286 0 50 FKAA Cc1cccc(NC(=O)c2ccccc2NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 103520698 PDYASRQCSWRHDB-BZSNNMDCSA-N 362.473 5.012 0 50 FKAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccccc1Br 205367387 RGUZUHJIFUHCKH-UHFFFAOYSA-N 372.259 5.126 0 50 FKAA CC(=O)OC1=C(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC1 257357011 LNNIMWRQUDXYPM-NXJNAPENSA-N 374.609 7.138 0 50 FKAA Cc1nc(NC(=O)c2ccc3scnc3c2)cc(-c2ccccc2)c1C 1857717571 ZALHICNWZSNMOW-UHFFFAOYSA-N 359.454 5.227 0 50 FKAA Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)c2c(c1)[C@@H](C)CCN2 2325842281 TURLMRQOAHXORE-KRWDZBQOSA-N 372.468 5.959 0 50 FKAA COC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)C1CCC1 659369 MBPQNSAIFFYWFY-UHFFFAOYSA-N 365.454 5.094 0 50 FKAA CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Cl)c(Cl)c1 959511 PZTDVWRVNUUQNB-UHFFFAOYSA-N 372.273 5.046 0 50 FKAA Brc1ccc(-c2noc(-c3cccc4ccccc34)n2)cc1 1198848 NSBOIJLQXJQRGZ-UHFFFAOYSA-N 351.203 5.319 0 50 FKAA OCc1cn(-c2cccc(Cl)c2)nc1-c1cc(F)c(Cl)cc1Cl 2544743 ABQPXLZXIGJPNV-UHFFFAOYSA-N 371.626 5.131 0 50 FKAA CCOc1ccc(OCCCCOc2ccc(Cl)cc2Cl)cc1 2986970 ASAMABRUIXMHAM-UHFFFAOYSA-N 355.261 5.630 0 50 FKAA Cc1ccc(C(C)C)c(OCCNC(=O)Cc2cccc3ccccc23)c1 3049688 JMGDENXHPJPOIL-UHFFFAOYSA-N 361.485 5.009 0 50 FKAA Cc1ccc2c(c1)c1c3n2CCCN(Cc2sccc2C)[C@@H]3CCC1 5032423 ZCXISPYYFFWAEN-HXUWFJFHSA-N 350.531 5.603 0 50 FKAA Cc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2C)cc1Cl 15746468 PBDHBTYICAPJIZ-SDXDJHTJSA-N 355.315 5.663 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@H]4C(C)=O)[C@@H]3CC[C@H]2C1 257349856 RWGWCMSZRIAUME-JZPHPCGVSA-N 358.522 5.086 0 50 FKAA O=S(=O)(NCC(C1CCCC1)C1CCCC1)[C@@H]1CCC2(CCCC2)C1 2325817698 NIKZYMOFRKRSET-LJQANCHMSA-N 367.599 5.015 0 50 FKAA Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c2c(c1)[C@H](C)CCN2 2325841612 BHIXGKKGQMBBBA-GOSISDBHSA-N 370.496 5.757 0 50 FKAA COc1ccc(C(=O)n2nc(C)c(Sc3ccc(Cl)cc3)c2C)cc1 633933 ZDNMKFODTKZVKL-UHFFFAOYSA-N 372.877 5.002 0 50 FKAA Cc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2cccs2)cc1 937011 FNRGHKGJXMBJNO-UHFFFAOYSA-N 362.406 5.049 0 50 FKAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc2cc(Br)ccc2c1 1125289 CQNITUUBSAFUCT-ZDUSSCGKSA-N 370.246 5.008 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(C)(C)C)cc1 1142105 HATXNIVSXOSRID-UHFFFAOYSA-N 368.864 5.853 0 50 FKAA COc1cc(OC)c(CNc2cccc(Cl)c2C)cc1Br 1229447 GEWXUOMDHMQDQY-UHFFFAOYSA-N 370.674 5.040 0 50 FKAA O=C1C(Nc2cccc(F)c2)=C2CCCCC=C2N1c1cccc(F)c1 1422809 PWNAIFVSLOKNDQ-UHFFFAOYSA-N 352.384 5.136 0 50 FKAA COc1ccc(NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 2962852 JZKJVNSUWHJCPA-UHFFFAOYSA-N 363.482 5.381 0 50 FKAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 4910774 YHYDOKMISFJUSW-MRXNPFEDSA-N 367.489 5.100 0 50 FKAA Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN23)cc1 25573005 NACOUHZWWIXOGK-XLIONFOSSA-N 368.795 5.314 0 50 FKAA C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1CCCC2 77319300 DYEQMULKZQBEKD-MRXNPFEDSA-N 361.451 5.868 0 50 FKAA in-vitro O=C(Nc1cccc(Br)c1)C1[C@H]2CCC=CCCC=CCC[C@H]12 252617540 KVFSWFSBUJJKAD-ADUPEVMXSA-N 374.322 5.716 0 50 FKAA Cc1cc(CN(C)C)ccc1NC(=O)c1csc(C2CCCCC2)c1 2325840673 KYMOQQFDISYTPT-UHFFFAOYSA-N 356.535 5.418 0 50 FKAA CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(Cl)c3C)c2c1 952827 MIOWIWFNAJPKNA-UHFFFAOYSA-N 354.837 5.425 0 50 FKAA CC[C@@H](C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1)c1ccccc1 1074878 WUDXKGOJNGWWNA-HXUWFJFHSA-N 370.452 5.936 0 50 FKAA CCOc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1C 1152507 XSNMIUPAIZUBPF-UHFFFAOYSA-N 364.319 5.311 0 50 FKAA biogenic Cc1ccc(C(=O)C[C@H](Nc2ccc3ccccc3c2)c2cccnc2)cc1 1187935 SVQWCVSCASLZQX-DEOSSOPVSA-N 366.464 5.969 0 50 FKAA O=C(Nc1ccc(F)c(F)c1)[C@H](Sc1ccccc1)c1ccccc1 1218654 CWOYTCHUYHSNKT-LJQANCHMSA-N 355.409 5.437 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccs2)on1 2465663 BWTPNTBOQHRNLD-UHFFFAOYSA-N 372.755 5.328 0 50 FKAA CC(C)(C)c1cc(CSc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O 3136869 IKWLWTXOUJQZAV-UHFFFAOYSA-N 368.546 6.156 0 50 FKAA CCCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1C1CC1 6400371 PSZUDTDXAAKBHP-UHFFFAOYSA-N 370.547 5.290 0 50 FKAA COc1cccc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)cs2)c1 263639966 QEYDSPSBENIJOS-UHFFFAOYSA-N 370.783 5.553 0 50 FKAA CC[C@H](NC(=O)C1(Nc2ccc(OC)cc2)CCCCC1)c1cccs1 822662150 LJCWJMURFXQWRC-SFHVURJKSA-N 372.534 5.139 0 50 FKAA Cc1nn(-c2ccccc2)c(C)c1Sc1ccccc1Br 805993 WUGUGWPOYTUESW-UHFFFAOYSA-N 359.292 5.403 0 50 FKAA Cc1ccn2c(-c3csc(Nc4cccc(Cl)c4C)n3)c(C)nc2c1 888761 BTSHHHDFEPLNAU-UHFFFAOYSA-N 368.893 5.780 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c(C(C)(C)C)c1 951040 IGZIQKMCILVOKM-UHFFFAOYSA-N 355.478 5.097 0 50 FKAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 1121357 UVBTXBJXHDDHOY-UHFFFAOYSA-N 367.788 5.113 0 50 FKAA Cc1ccc(-n2c(N)c(-c3nc4ccccc4s3)sc2=S)cc1 1133250 KJRQXMKGFGBKNI-UHFFFAOYSA-N 355.513 5.436 0 50 FKAA Cc1cc(Br)ccc1NC(=O)/C=C/c1ccccc1Cl 1181693 DESOMAQCJJEGGU-RMKNXTFCSA-N 350.643 5.063 0 50 FKAA COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 1397598 ZGKGKPUZGNXAHB-CQSZACIVSA-N 371.647 5.176 0 50 FKAA Cc1cc(C(=O)O)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 2582976 AEMDMIXDWRNKND-UHFFFAOYSA-N 373.408 5.054 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)OCc1ccc2ccccc2c1 2845059 RIAVFZIJGBETQJ-UHFFFAOYSA-N 361.224 5.269 0 50 FKAA O[C@H]1C[C@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21 3133539 MSENWMQWPMYKPR-MOPGFXCFSA-N 370.370 6.067 0 50 FKAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(Cl)c1 4122459 WFYNXHHWCINMJS-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 13329877 YKXBHUKHJMULCJ-NZWMYCLXSA-N 367.320 5.322 0 50 FKAA c1ccc(C2CCC(N3CCN4CCC[C@H]4[C@@H]3C3CCCCC3)CC2)cc1 22078499 FMVHYYDTTWYONL-IZTPNPOGSA-N 366.593 5.442 0 50 FKAA C[C@H](CN1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 43151168 GFGRSSQONNCQAL-XLIONFOSSA-N 363.480 5.199 0 50 FKAA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3C=C[C@@]12C 257348082 BEDPXTVFPSLUPA-ZNQZYEKSSA-N 372.593 6.401 0 50 FKAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccccc1OCc1ccccc1)C2 1704327222 AILVQAOWYURAPJ-RPWUZVMVSA-N 365.517 5.047 0 50 FKAA O=C(Nc1ccc(Cl)cc1)N[C@H](Cc1ccccc1)c1ccccc1 631119 RBCDPQBTJNKGJH-HXUWFJFHSA-N 350.849 5.446 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1OC(F)(F)C(F)F 1088831 HSDDLWCCPVPLSC-UHFFFAOYSA-N 362.710 5.221 0 50 FKAA Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccc(Cl)cc1 2798417 YVIBXQTUSRFMDX-UHFFFAOYSA-N 374.271 5.107 0 50 FKAA O=C(O)c1ccccc1C(=O)OC1CCCCc2ccc(cc2)CCCC1 4790028 HUMDLLLIOPZQEX-UHFFFAOYSA-N 366.457 5.050 0 50 FKAA CC(C)C(=O)N(Cc1cccc(OCCc2cccs2)c1)C1CCCC1 14882180 BILXNWNOTQIFLT-UHFFFAOYSA-N 371.546 5.297 0 50 FKAA CC(C)Cc1ccc(-c2cc(C(=O)O)n(-c3ccc(Cl)cc3)n2)cc1 25762974 SRILFVNZEDFIDS-UHFFFAOYSA-N 354.837 5.089 0 50 FKAA Clc1ccc([C@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1 100687848 NAHAHBXSDPMVID-OAQYLSRUSA-N 357.844 5.746 0 50 FKAA Cc1cccc(NC(=O)c2ccccc2NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 103520700 PDYASRQCSWRHDB-OKZBNKHCSA-N 362.473 5.012 0 50 FKAA Cc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@H](c2ccco2)C1 408525697 VKTLNEUNUVEYRJ-IBGZPJMESA-N 364.832 5.233 0 50 FKAA CC(=O)c1ccc(N/C=C2\C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)cc1 1848442397 CPHUCVRZRCMXJC-BKUYFWCQSA-N 372.468 5.193 0 50 FKAA C[C@@H]1C[C@H](NC(=O)NCCCCc2ccccc2)C[C@H](c2ccccc2)C1 2325866291 GVORQBPWKSRLQJ-PMOQBDJRSA-N 364.533 5.281 0 50 FKAA CCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 947323 ZZWWGHBLIQUCLN-UHFFFAOYSA-N 352.459 5.078 0 50 FKAA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2Cl)c2ccccc2)cc1 992939 OJVLHINVZVMIBR-NRFANRHFSA-N 364.828 5.429 0 50 FKAA CC1CCN(C(=S)c2cn(Cc3cccc(F)c3)c3ccccc23)CC1 1015241 OIGUGSPOKAOCHK-UHFFFAOYSA-N 366.505 5.236 0 50 FKAA aggregator Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc4ccccc24)S3)cc1 1152115 HWZSBHRZHFOYGS-LJQANCHMSA-N 371.465 5.284 0 50 FKAA CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 2105298 MXNGYQJJYRVGGJ-JOCHJYFZSA-N 366.464 5.783 0 50 FKAA CC(C(=O)Nc1nc2ccccc2s1)(c1ccccc1)c1ccccc1 2322069 SWECUGLNYVJEML-UHFFFAOYSA-N 358.466 5.241 0 50 FKAA O=C(NCCCCc1ccccc1)C1c2ccccc2Oc2ccccc21 2767703 BWSKQGYHWUNIMG-UHFFFAOYSA-N 357.453 5.063 0 50 FKAA CC[C@H](C)c1ccc([C@@H](C)NC(=S)Nc2ccc(OC)cc2OC)cc1 2851325 FDXFEGHCNCVLRI-LSDHHAIUSA-N 372.534 5.265 0 50 FKAA O=C(Nc1cccc2cc(OC(=O)c3ccccc3)ccc12)c1ccccc1 3844814 WJMGNAVBHHKTOI-UHFFFAOYSA-N 367.404 5.311 0 50 FKAA biogenic Cc1ccc(CN[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)s1 19634708 JSGUKLDPENYQBE-FQEVSTJZSA-N 351.519 5.026 0 50 FKAA O=c1c(-c2cccc(Oc3ccccc3)c2)c(O)[nH]c2cc(Cl)ccc12 95541799 FLVRDMUHUXVRET-UHFFFAOYSA-N 363.800 5.346 0 50 FKAA biogenic,in-vitro Cn1nccc1/C=C1\C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 147162718 ARYVICLZGFZHAR-QUZAHPDLSA-N 368.565 5.207 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1c(C(F)(F)F)cnc(Cl)c1Cl 263639970 QMRFKCVHKHWLNQ-UHFFFAOYSA-N 369.557 5.313 0 50 FKAA CC1(C)[C@@H](C(=O)Nc2ccccc2C(F)(F)F)[C@@H]1C=C(Cl)Cl 826640 ODILXTQDORQEFB-JOYOIKCWSA-N 352.183 5.235 0 50 FKAA COc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1 865364 WCHSROTUOBBGHY-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA Cc1cc2ncn(C(=O)CC(c3ccccc3)c3ccccc3)c2cc1C 1217763 KFIRKPCRJNASCZ-UHFFFAOYSA-N 354.453 5.516 0 50 FKAA CCCCC(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2C)C[C@@H]1C 2294455 LIBNLSDLFDLODY-RXVVDRJESA-N 350.506 5.772 0 50 FKAA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1NCc1ccccc1 4709637 XZHJMQVDTMCCTN-UHFFFAOYSA-N 370.374 5.570 0 50 FKAA CCC(C)(C)C1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 6396753 UPBLEIIEFGOUMG-UHFFFAOYSA-N 361.595 6.132 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 651670 ILZXEIJHRXNDBD-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA Cc1ccc(NC(=O)c2ccc(OC(=O)CCC3CCCCC3)cc2)cc1 936076 FECRYXZFLBVNQL-UHFFFAOYSA-N 365.473 5.513 0 50 FKAA O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)c1ccc(O)cc1 1071740 ACQXRJPXLVSBIT-UHFFFAOYSA-N 362.212 5.139 0 50 FKAA Cc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 1156025 UPERXELYQDPAPF-CQSZACIVSA-N 356.535 5.350 0 50 FKAA CCCCOc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 2836401 FVQDLKJOJSXGIC-UHFFFAOYSA-N 360.866 5.381 0 50 FKAA Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(Cl)c1 13329973 SPELTGQTJIEFOJ-JTQLQIEISA-N 357.668 5.838 0 50 FKAA O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 18209289 MQQNWHULXLVNPX-SZPZYZBQSA-N 369.420 5.088 0 50 FKAA CCCCCn1cc(C(=O)Nc2cccc3cccnc23)c2ccccc21 96024572 LSDZETPTKCENTH-UHFFFAOYSA-N 357.457 5.632 0 50 FKAA in-vitro C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CCC[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 257349791 RDZDBMLXWHANKR-BLPIKMRDSA-N 368.649 8.028 0 50 FKAA CC[C@@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 916995403 JUCPEGGAFHIALM-IAGOWNOFSA-N 357.803 5.133 0 50 FKAA Cc1cc(N2CCCC[C@@H]2C)ccc1N[C@H](C)c1ccc(N(C)C)nc1 1875341650 ASWQJGFDKGZEES-ZWKOTPCHSA-N 352.526 5.008 0 50 FKAA Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc32)s1 912712 CCWBJWIPQQIPJH-UHFFFAOYSA-N 357.485 5.362 0 50 FKAA O=c1c2cc(-c3ccccc3)sc2ncn1Cc1cccc2ccccc12 955631 RNXATAGOUWHUGE-UHFFFAOYSA-N 368.461 5.327 0 50 FKAA CCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)sc2c1 1123635 UGLYOUIEGREIRR-UHFFFAOYSA-N 372.515 5.043 0 50 FKAA CCc1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 1134444 NLEZACPIUSSIKM-UHFFFAOYSA-N 354.500 5.103 0 50 FKAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 1218643 MQHLULYDHWQLKD-JTQLQIEISA-N 358.652 5.361 0 50 FKAA COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 1218954 PTEHZUHVUILKDN-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA CCS[C@@H]1C(C)=C(C)C(=O)N1C(C)(C)c1cc(Cl)cc(Cl)c1 2290508 KAQLIRXPWLDNEX-MRXNPFEDSA-N 358.334 5.486 0 50 FKAA CC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 2856707 TUZQHHZNYZIMKT-AWEZNQCLSA-N 354.519 5.234 0 50 FKAA CC1=CC[C@@H](CC2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)C1(C)C 3618822 LHBVLPNXCWOXKA-QFIPXVFZSA-N 374.572 6.339 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)N1CCCc2ccccc21 4113226 QCOXZRVVKMVMKF-UHFFFAOYSA-N 364.272 5.132 0 50 FKAA Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)c1 6860377 JCTZZZUPKQRVED-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1Cl 16976214 OLQADCDUGGCZKQ-UHFFFAOYSA-N 358.850 5.115 0 50 FKAA COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@H](c4ccccc4)N23)cc1 230068360 HMZHNFLAEYLLKZ-UTTOWIBESA-N 374.871 5.276 0 50 FKAA CCCCCCNc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1 263639945 PMDRJYNTIFFLFR-UHFFFAOYSA-N 363.836 5.870 0 50 FKAA CCCOc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)c(C)c1 822985474 BFYFZPFKNJGZJW-UHFFFAOYSA-N 368.477 5.021 0 50 FKAA C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H](C)c1cc2ccccc2s1 1875307556 QLHTUXDAYSQMKI-HOTGVXAUSA-N 367.518 5.068 0 50 FKAA Clc1cccc(N2CCCC2)c1CN1CC2(CCCC2)c2ccccc21 2325817584 DCMWGXOPMGYQPT-UHFFFAOYSA-N 366.936 5.772 0 50 FKAA CC1(C)CCC[C@H]([C@@](C)(O)CNC(=O)CC2CCC3(CCCC3)CC2)C1 2325817589 DEZIJZLLTCNUQY-UGKGYDQZSA-N 363.586 5.211 0 50 FKAA Cc1ccccc1C[C@H](CO)CN[C@@H](CC(C)C)c1ccc(Cl)cc1 2325842303 UFLIDLJUMYVEHH-AVRDEDQJSA-N 359.941 5.176 0 50 FKAA O=C(Nc1c(O)ccc(Cl)c1F)c1cc2c(Cl)c(Cl)ccc2[nH]1 2325874088 AFXVYEUECUSRNT-UHFFFAOYSA-N 373.598 5.225 0 50 FKAA CC(C)Oc1ccc([C@H](CC(=O)N2CCCCC2)c2ccccc2)cc1 1121072 CMAIZDJRASESOL-JOCHJYFZSA-N 351.490 5.008 0 50 FKAA biogenic O=Cc1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1 2576951 DSYKMLTVEGWLFR-UHFFFAOYSA-N 355.303 5.780 0 50 FKAA CCOc1ccc2nc(NC(=O)c3ccccc3SCC)sc2c1 2864875 BZYPPBNTHBPUEB-UHFFFAOYSA-N 358.488 5.059 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 2986704 ZCLGETLJVOOZSF-UHFFFAOYSA-N 370.452 6.045 0 50 FKAA COc1cc2c(cc1NC(=O)c1cc3ccccc3o1)oc1ccccc12 3567013 SLUMEHKLVUWXCP-UHFFFAOYSA-N 357.365 5.593 0 50 FKAA Clc1ccc(Oc2cccc(CN3CCC[C@H]4CCCC[C@@H]43)c2)cc1 4988934 RYCRTNPTJUFFBR-GCJKJVERSA-N 355.909 6.287 0 50 FKAA C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820876 HIAJCGFYHIANNA-WDWFXKRRSA-N 374.565 5.427 0 50 FKAA biogenic CC(=O)c1cc(CN2CC[C@@H](c3ccnc(-c4ccccc4)c3)C2)cs1 65526097 LTXUHKMGPCENLU-HXUWFJFHSA-N 362.498 5.002 0 50 FKAA O=C1[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 169619071 COXAAIGTNDLOER-IMJJTQAJSA-N 374.267 5.067 0 50 FKAA COc1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1 622117 SDZMCUYENKTNDE-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA biogenic CCOc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 639058 CBGXAVDUWSRULQ-UHFFFAOYSA-N 366.269 5.859 0 50 FKAA COc1ccc(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)cc1 1402315 RUJRISUWHSSRSH-UHFFFAOYSA-N 350.365 5.581 0 50 FKAA CCCOc1cccc(-c2cc(C(=O)O)c3ccc(Cl)c(C)c3n2)c1 2526041 ONSZRARBCBDEBU-UHFFFAOYSA-N 355.821 5.351 0 50 FKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1Cl 2983028 YQUVFYGILRHWRS-UHFFFAOYSA-N 369.462 6.206 0 50 FKAA CC(C)Oc1ccccc1OCCCCOc1cccc2cccnc12 2983619 YKKXQBHHTGVRIB-UHFFFAOYSA-N 351.446 5.260 0 50 FKAA COc1ccc([C@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 5720599 ZCAIWNHPCDNMGQ-RTWAWAEBSA-N 351.833 5.579 0 50 FKAA CCOc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)cc1 64984543 XWTPZMMZFADJJU-NRFANRHFSA-N 352.478 5.543 0 50 FKAA CC1(C)CC[C@@H](NC(=O)CCC(=O)c2cccs2)[C@@H](c2ccccc2)C1 1875329276 OGIYOVLDRPHJEF-QZTJIDSGSA-N 369.530 5.190 0 50 FKAA COc1nc2ccccc2cc1[C@H](C)N[C@@H](C)c1cc(Cl)ccc1F 2325828055 XOJOTSACYFFCBI-STQMWFEESA-N 358.844 5.448 0 50 FKAA CCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCC)cc2C)c(C)c1 633230 NWFDCEGNOVBKMO-UHFFFAOYSA-N 352.478 5.448 0 50 FKAA O=C(Nc1nnc(-c2cccs2)s1)Nc1cccc2ccccc12 1002476 OWMUTBDNQDANGI-UHFFFAOYSA-N 352.444 5.064 0 50 FKAA Cc1cccc2c(C(=O)NC3CCCCCC3)cc(-c3ccccn3)nc12 1068358 ZDNUTTQRDZWQQQ-UHFFFAOYSA-N 359.473 5.058 0 50 FKAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(C)c2)C1 2558454 MRNDKZUKHRLEKU-AWEZNQCLSA-N 356.535 5.432 0 50 FKAA COc1cc(C)ccc1OCCCCOc1cccc(Br)c1 2985007 OLCBWRYWPIDIDY-UHFFFAOYSA-N 365.267 5.004 0 50 FKAA C/C=C/c1ccc(OCCOCCOc2cccc(C(C)C)c2)c(OC)c1 2991147 FWIVQELGTBBSES-FNORWQNLSA-N 370.489 5.326 0 50 FKAA Cc1sc(Nc2cccc3ccccc23)nc1-c1ccc(Cl)cc1 3878402 HJOAHWCOVUSHEN-UHFFFAOYSA-N 350.874 6.669 0 50 FKAA CC[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2Cl)C1 5984966 SVNSXMIBXXCPBI-VIFPVBQESA-N 369.317 5.404 0 50 FKAA O=C(C[C@H](c1ccc(Cl)cc1)[C@H]1CCCCCCC1=O)c1ccccc1 624337 DAMIZTLQFWGOES-NHCUHLMSSA-N 368.904 6.236 0 50 FKAA COc1cc(-c2nc3c(C(C)(C)C)cc(C(C)(C)C)c(O)c3o2)ccc1O 1197012 FFGNEUCEYNEXDI-UHFFFAOYSA-N 369.461 5.510 0 50 FKAA O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccc(Cl)cc1Cl 1382549 URNYIWNPODQKBX-UHFFFAOYSA-N 350.632 5.873 0 50 FKAA CCc1c2c(n(C)c1-c1ccccc1)[C@@H](c1ccccc1)Oc1ccccc1-2 2472499 ALUSFAVGXGVGDK-AREMUKBSSA-N 365.476 6.403 0 50 FKAA O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 2793756 LRMBNHPVNYDVRS-CHWSQXEVSA-N 372.198 5.337 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1Cl 3666250 BIMLKDQHIMEQIY-UHFFFAOYSA-N 356.208 6.145 0 50 FKAA Cc1cccc(-n2c(/C=C\c3ccccc3C)nc3ccccc3c2=O)c1 4725172 YYWQVEABZIJOIR-PFONDFGASA-N 352.437 5.173 0 50 FKAA O=C(c1cccs1)[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 12960198 HOSXHROOYHFETC-MOPGFXCFSA-N 367.901 5.504 0 50 FKAA ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl 18255657 QBYJBZPUGVGKQQ-SJJAEHHWSA-N 364.914 5.270 0 50 FKAA in-vitro COc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(C4CC4)nc32)cc1 20615085 ARSRTQOURXQOOS-UHFFFAOYSA-N 355.388 5.122 0 50 FKAA CC(=O)Nc1nc(C23C[C@H]4C[C@@H](CC(c5ccc(C)cc5)(C4)C2)C3)cs1 100928390 KGWXDKSOHBCQQJ-UOBYYGQQSA-N 366.530 5.200 0 50 FKAA Clc1ccccc1-c1ccc(/C=C/c2nc(Cc3ccno3)no2)s1 1875260134 LYOWZWYTUXRVDS-SOFGYWHQSA-N 369.833 5.201 0 50 FKAA Cc1cccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2C[C@@H]2c2ccccc2)c1 1875318878 YBKYIXSMLKWUEA-DNVJHFABSA-N 356.469 5.662 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 656554 XTEYWVGECSRLGY-UHFFFAOYSA-N 373.949 5.304 0 50 FKAA COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)c3ccccc3n2)cc1 677353 PYPJXMNODNYYHC-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCc2ccccc21 970792 KYLYJXJKPYOUDF-UHFFFAOYSA-N 350.421 5.105 0 50 FKAA CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cccc2ccccc12 1195914 MAMMKIFKHNZCRB-LJQANCHMSA-N 361.470 5.226 0 50 FKAA Cc1cc(=O)oc2cc(OCc3ccccc3)c(OCc3ccccc3)cc12 1513963 FDCOZLJPSVUAAO-UHFFFAOYSA-N 372.420 5.259 0 50 FKAA Cc1cccc(C(=O)Nc2cccc(-c3nc4c(C)cccc4s3)c2)c1 2067178 FSZQTUYMQGZYDN-UHFFFAOYSA-N 358.466 5.832 0 50 FKAA Cc1ccccc1C(=O)Nc1ccccc1Sc1ccc(Cl)cc1 2839017 VAHIAPQUKDKYMT-UHFFFAOYSA-N 353.874 6.052 0 50 FKAA c1ccc(COc2ccc(CN3CCCC[C@@H]3c3cccnc3)cc2)cc1 4982712 BIVROWHLXHWKAU-XMMPIXPASA-N 358.485 5.388 0 50 FKAA C[C@@H]1c2c(c(-c3ccccc3)c3ccccc3c2-c2ccccc2)S1(=O)=O 5179771 ZPMHRKJRXGXDAX-MRXNPFEDSA-N 370.473 6.022 0 50 FKAA Clc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H]2CCCO2)cc1 13774326 HZDJXFMKBTWMHC-ZBKJMMEJSA-N 370.905 5.281 0 50 FKAA Cc1c[nH]c(CN2CC[C@H](c3ccc(F)cc3F)Sc3ccccc32)n1 14984522 MNMSYBOESSUMID-GOSISDBHSA-N 371.456 5.240 0 50 FKAA CC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1 22239190 LJNITJJSUAHCEI-UHFFFAOYSA-N 371.358 6.123 0 50 FKAA FC(F)(F)c1cccnc1Oc1cccc(CN2CCCC2)c1Cl 67934304 XDHKAMVFPHGGPE-UHFFFAOYSA-N 356.775 5.142 0 50 FKAA CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21 72119779 GWCQNKRMTGVYIZ-UHFFFAOYSA-N 356.469 6.237 0 50 FKAA biogenic,in-vitro C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CCC2=O 257357317 NIXXKMPUWREKQR-PLOVCHRTSA-N 372.549 5.430 0 50 FKAA CCOc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(F)cc1)N2 678113 FBELDLAJAXNQFK-UXHICEINSA-N 357.425 5.022 0 50 FKAA Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 912336 QEAWMPMQNQLHHN-CYBMUJFWSA-N 368.527 5.100 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)Nc2ccc(C(=O)OC(C)C)cc2)cc1 1119224 QLLKQXRTVJQERH-HNNXBMFYSA-N 370.518 5.574 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)N[C@@H](C)c2cc(OC)ccc2OC)cc1 1120594 GLYZPMSFLGUUDB-GJZGRUSLSA-N 372.534 5.265 0 50 FKAA CCN(C(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 1120820 CKQCTZDQCJGBOL-UHFFFAOYSA-N 374.918 5.096 0 50 FKAA O=C(/C=C/c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 2774046 HVQVITBWGBUDKK-CCEZHUSRSA-N 361.872 5.582 0 50 FKAA Fc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)cc1 42451700 BJAMWZFYUDJVRT-SFHVURJKSA-N 374.463 5.077 0 50 FKAA O=C(c1ccccc1)C(Sc1ccc(Cl)cc1)C(=O)c1ccccc1 100660089 YBMMOWCJKQHLIK-UHFFFAOYSA-N 366.869 5.567 0 50 FKAA CCCC[C@H](c1cccnc1)n1ccnc1-c1cccc(CC(F)(F)F)c1 1857703880 UWWFKKPBKQTSLR-LJQANCHMSA-N 373.422 5.830 0 50 FKAA O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(Oc2ccccc2)o1 1875335897 KMHWILCQGOSPGZ-OAQYLSRUSA-N 365.404 5.482 0 50 FKAA CCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(Cl)cc1)CC3=O 2084329464 JTVLSOKASGBLHY-MRXNPFEDSA-N 368.816 5.024 0 50 FKAA O=C(COc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 756533 KQBXNDSXVRSBCO-UHFFFAOYSA-N 351.402 5.034 0 50 FKAA O=C(NC1CCCC1)c1cc(-c2ccccc2Cl)nc2ccccc12 1217721 AUVHNWOSJDFDSD-UHFFFAOYSA-N 350.849 5.228 0 50 FKAA Cc1cc(C(C)(C)C)ccc1SC(=O)Nc1ccccc1C(F)(F)F 2172986 GLXQVXAXDLHAGK-UHFFFAOYSA-N 367.436 6.636 0 50 FKAA CN(C(=O)c1ccc(COc2cccc3ccccc23)o1)c1ccccc1 2752744 CODKPCRBPINXCO-UHFFFAOYSA-N 357.409 5.288 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)c4c(C)noc4C)cc3)sc2c1 2872583 UPJGKQQNVHWDGL-UHFFFAOYSA-N 363.442 5.129 0 50 FKAA COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 2998214 OKRARVCACPDUBQ-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA CC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)CC1 6395550 KAAJHMLPLYLQBW-UHFFFAOYSA-N 364.876 5.427 0 50 FKAA CCCCCn1cc(C(=O)c2cc(CC)cc3ccccc23)c2ccccc21 71789378 NGFGMPFSPOLCMX-UHFFFAOYSA-N 369.508 6.778 0 50 FKAA in-vitro CCCCCn1nc(C(=O)Nc2cccc3ccccc23)c2ccccc21 96024618 UJKHLVOEXULDRU-UHFFFAOYSA-N 357.457 5.632 0 50 FKAA in-vitro CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@@H]4[C@@H]3CC[C@@H]2C1 257356143 GFHOQCXDABGYAL-BEEPAOLHSA-N 360.538 5.166 0 50 FKAA Cc1cc(C)c(NC(=O)N2CCC(c3ncccc3Cl)CC2)c(C)c1 365408600 YENLQGPYTDJRNV-UHFFFAOYSA-N 357.885 5.072 0 50 FKAA Fc1ccccc1COc1ccc(-c2nc3ccccc3[nH]2)cc1Cl 1848442391 AQBMJWOPPHQAKS-UHFFFAOYSA-N 352.796 5.601 0 50 FKAA C[C@H](CNc1ncnc2sc(-c3ccccc3)cc12)N(C)c1ccccc1 1875341614 ZROKBNTZQDYBPA-MRXNPFEDSA-N 374.513 5.295 0 50 FKAA CCOC(=O)c1ccc(NC(=O)Oc2ccc(-c3ccccc3)cc2)cc1 641427 UUIRPGHHEWPARN-UHFFFAOYSA-N 361.397 5.141 0 50 FKAA CCc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(CC)c3)c2)c1 657106 PSBIVOGYRQCHNQ-UHFFFAOYSA-N 372.468 5.316 0 50 FKAA Cc1ccc(-c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 657239 FSCMFJIWWCBFDT-UHFFFAOYSA-N 359.376 5.452 0 50 FKAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc2ccccc12 666876 LGCDUEGLFPHHDO-UHFFFAOYSA-N 350.849 5.346 0 50 FKAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21 912706 HYBWCNFLCICORI-UHFFFAOYSA-N 373.239 5.160 0 50 FKAA Cc1scc(C(=O)Nc2cccc(Cn3cccn3)c2)c1-c1ccccc1 1056038 WTUZXGMAYADYOF-UHFFFAOYSA-N 373.481 5.221 0 50 FKAA Cc1nc(C)c(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)s1 1122880 XJYSCTAZQGGHEB-UHFFFAOYSA-N 355.410 5.646 0 50 FKAA COc1cc2ccccc2cc1C(=O)NC(c1ccccc1)c1ccccc1 1180286 WFGMJZMAHXPWSR-UHFFFAOYSA-N 367.448 5.368 0 50 FKAA Cc1nc(SCC(C)C)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2399307 JHUXEXFSUFRNEM-UHFFFAOYSA-N 373.547 5.147 0 50 FKAA O=C1O[C@@](Nc2cccc3ccccc23)(c2ccccc2)c2ccccc21 2771307 SULZLEMXAMBNLX-DEOSSOPVSA-N 351.405 5.323 0 50 FKAA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccccc1 3880720 CTROTENIADTQAO-DUJJYPJESA-N 368.480 5.678 0 50 FKAA CCCCCC[C@@H](C)Nc1ccc(N[C@H](C)CCCN(CC)CC)cc1 4552242 GFVQYDVMTCAVFN-NHCUHLMSSA-N 361.618 6.380 0 50 FKAA C[C@@H](NCC[C@H](Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1 4865677 WMXGLVQQFHUUQE-YLJYHZDGSA-N 353.893 6.000 0 50 FKAA Cc1nn(Cc2ccc(Cl)cc2)c2nc(C3CC3)cc(C(F)(F)F)c12 20604606 LYZFNTZCNCUERM-UHFFFAOYSA-N 365.786 5.338 0 50 FKAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@](C)(Cc1ccccc1)[Si](C)(C)C 169831397 SICQZWJSRMADLT-RJSMDTJLSA-N 374.641 6.332 0 50 FKAA Cc1ccc(N2NC3(CCCCCCCCCCC3)NC2=S)cc1C 334160520 GNHWQBBXJLRLJB-UHFFFAOYSA-N 359.583 5.504 0 50 FKAA Cc1ccccc1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 1875257924 LOTNYANQHWNAJY-UHFFFAOYSA-N 362.376 5.390 0 50 FKAA CC[C@@H](C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 753324 ZHMQUTYADDALLW-LLVKDONJSA-N 358.290 5.308 0 50 FKAA CC1(C)[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C=C(Cl)Cl 826636 UKASJBZQOFNKHB-QPUJVOFHSA-N 353.076 5.523 0 50 FKAA O=C(/C=C/c1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 848291 CKIKLDBYPKGFBW-ZHACJKMWSA-N 354.862 5.039 0 50 FKAA O=c1oc2cc(OC/C=C/c3ccccc3)c(Cl)cc2c2c1CCCC2 1797634 ALJFZIWPBMMLFU-RMKNXTFCSA-N 366.844 5.417 0 50 FKAA OC(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)N1CCCCC1 2581148 BCFJVZGZDXPFBN-DEOSSOPVSA-N 357.497 5.150 0 50 FKAA Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)c1 2857516 FXYIEMDISMBWAC-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA CC(=O)c1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 2861129 CYTXGMNFUFEHFB-UHFFFAOYSA-N 364.253 5.663 0 50 FKAA CCCCCC1CCC(c2nnc(S)n2-c2ccc(Cl)cc2)CC1 4052848 KQEISKXDRINFMB-UHFFFAOYSA-N 363.958 6.064 0 50 FKAA Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C(C)C)cc1 4869946 WPFIXCNQDRWRMD-UHFFFAOYSA-N 362.429 5.216 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 253497610 XIIAYQZJNBULGD-GYPWENPHSA-N 372.681 8.498 0 50 FKAA biogenic CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CCC[C@@]4(C)[C@@H]3CC[C@@]21C 257350207 VOYKELMCSUDIBK-MDYWNAOLSA-N 368.649 8.050 0 50 FKAA O=C(c1cccs1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1 328596864 AZBVJOVUADSLAB-SFHVURJKSA-N 366.873 5.393 0 50 FKAA CCOc1ccccc1NC(=S)N(CC)[C@H](CC)Cc1ccc(C)cc1 2325736607 YQUVONLZXCCPAN-LJQANCHMSA-N 370.562 5.434 0 50 FKAA CCC[C@@H](N[C@H](C)c1cn(C)nc1C)c1ccc(Oc2ccccc2)cc1 2325822235 LCXGHJWCXILSKK-UZUQRXQVSA-N 363.505 5.713 0 50 FKAA COc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 828429 AXGKDFYSCQKVER-UHFFFAOYSA-N 353.425 5.563 0 50 FKAA O=C(Nc1ccc(OC(F)(F)C(F)F)cc1)Nc1cccc(Cl)c1 1084503 XNGJTYSNRWYPGZ-UHFFFAOYSA-N 362.710 5.221 0 50 FKAA O=C(NCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 1159788 KOONVWOVVLKEQJ-UHFFFAOYSA-N 372.855 5.485 0 50 FKAA CC[C@H](C)c1ccc([C@H](CC)NC(=S)Nc2ccc3c(c2)OCO3)cc1 2853726 CKEKQRLYNKXZJM-KSSFIOAISA-N 370.518 5.367 0 50 FKAA Clc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(Cl)cc2)cc1 3200243 CMECLFLDZWEORI-UHFFFAOYSA-N 365.263 6.718 0 50 FKAA COc1ccccc1[C@H](CCNCc1ccccc1)[C@@H]1CCOC(C)(C)C1 4027684 HWUFYAOJZSCVJE-NHCUHLMSSA-N 367.533 5.164 0 50 FKAA biogenic Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 17145739 FUCBKPZEQIYMLM-UHFFFAOYSA-N 354.409 5.569 0 50 FKAA C[C@H](NC(=O)Nc1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 20550549 LXGXJCINVAMEDU-NZWMYCLXSA-N 350.865 5.206 0 50 FKAA CC(C)n1ccnc1[C@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 95366052 DGIYDWWAQLOKMN-HNNXBMFYSA-N 369.406 5.002 0 50 FKAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1c1nc2cc(F)c(F)cc2s1 1875307927 WQBCCNKLJSENTL-PXAZEXFGSA-N 374.456 5.561 0 50 FKAA Cc1cccc(C)c1NC(=O)c1sc2cccc(Cl)c2c1Cl 651804 BLAZKDBMJPFKSS-UHFFFAOYSA-N 350.270 6.077 0 50 FKAA c1ccc([C@@H]2C3=C(N=C4Nc5ccccc5N42)c2ccccc2CCC3)cc1 755087 BTQBADAYKSFGDC-XMMPIXPASA-N 363.464 5.777 0 50 FKAA O=c1c2c([nH]c(=S)n1C1CCCC1)-c1ccccc1CC21CCCCC1 1797154 AVWWDVWKULWVME-UHFFFAOYSA-N 366.530 5.446 0 50 FKAA O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccccc1)C1CCCCC1 4761386 CUJFVLUEOMTHBI-NRFANRHFSA-N 371.908 5.199 0 50 FKAA CCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2cc1O 4801948 XMIUXFRUNWDTIA-UHFFFAOYSA-N 368.282 5.011 0 50 FKAA CCCCCCC(=O)N[C@H](Nc1ccccc1C)C(Cl)(Cl)Cl 5250169 NSPQCKQWKAXZGL-HNNXBMFYSA-N 365.732 5.190 0 50 FKAA C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 6036225 KIQFUORWRVZTHT-OPTMKGCMSA-N 374.565 5.715 0 50 FKAA in-vitro C[C@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 11678289 VDHAWDNDOKGFTD-INIZCTEOSA-N 357.419 6.142 0 50 FKAA biogenic,in-vitro Cc1ccccc1CSc1nnc(-c2ccc(OCC(C)C)cc2)n1C 17075490 HOZUFGJTSQQNSU-UHFFFAOYSA-N 367.518 5.118 0 50 FKAA COCc1csc(-c2nnc(-c3sc(-c4ccccc4)nc3C)o2)c1 1875389159 DZOGKMLILIKMOJ-UHFFFAOYSA-N 369.471 5.043 0 50 FKAA CCCc1nc(COC(=O)Cc2cc3c(ccc4ccccc43)o2)cs1 2325852038 QPSXCICRNHSXFR-UHFFFAOYSA-N 365.454 5.281 0 50 FKAA O=C(Nc1ccccc1F)Oc1ccc(Cl)cc1Cc1ccccc1 641163 IFKMWKGIIJWPHO-UHFFFAOYSA-N 355.796 5.681 0 50 FKAA COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 996052 PAXJVRYWMHFYAI-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(C)c1 1114941 STKQLJHIUHIQRQ-UHFFFAOYSA-N 362.395 5.175 0 50 FKAA COc1cc2ccccc2cc1C(=O)Nc1ccc(Br)c(C)c1 1158635 WTMOPEDXNVZBOC-UHFFFAOYSA-N 370.246 5.172 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 1178554 REIJTAIFGPWMNN-OAHLLOKOSA-N 362.498 5.480 0 50 FKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(Cl)c1 1241656 ZOJJYMIJYBOLFG-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA Cc1nc(=O)c(-c2ccccc2)c(C)n1CCC12CC3CC(CC(C3)C1)C2 4593475 JWYGSMGVWJSWNA-UHFFFAOYSA-N 362.517 5.134 0 50 FKAA C[C@@H](CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1)c1ccccc1 43131253 ACPQJUGZAWPZSY-PXNSSMCTSA-N 363.480 5.199 0 50 FKAA CCC[C@H](N[C@@H](C)c1cn(C)nc1C)c1ccc(Oc2ccccc2)cc1 2325822234 LCXGHJWCXILSKK-SBUREZEXSA-N 363.505 5.713 0 50 FKAA CCOc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 648814 BNAHRJBWYZSIDS-UHFFFAOYSA-N 366.269 5.859 0 50 FKAA CCc1ccccc1NC(=O)c1cccc2c(Br)cccc12 1157974 QQLSNUGDPBXEEI-UHFFFAOYSA-N 354.247 5.417 0 50 FKAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccccc1Cl 1779208 PBKFWTQVBNTHHQ-NTCAYCPXSA-N 363.844 5.571 0 50 FKAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc(-c2ccc(F)cc2)cs1 4650781 VZLINFNEWPGHHP-UHFFFAOYSA-N 370.493 5.494 0 50 FKAA Cc1ccc(C(C)(C)C[C@@H](C)NCC(c2ccccc2)c2ccccc2)o1 5031843 QPTNQRWBOOTNFA-LJQANCHMSA-N 361.529 6.066 0 50 FKAA CCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 9259289 JZGVLFZQWKJHTN-UHFFFAOYSA-N 368.477 5.102 0 50 FKAA CCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 11616273 RSEPBGGWRJCQGY-QBRBXANFSA-N 356.506 5.350 0 50 FKAA biogenic Cc1cc2cc(C(=O)N3CCC(Oc4cccc(Cl)c4)CC3)ccc2o1 91736241 RLCPVYFUYMEFOX-UHFFFAOYSA-N 369.848 5.078 0 50 FKAA C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(c2noc3cc(F)ccc23)CC1 329800482 YHNGQHJUFLAFBC-CYBMUJFWSA-N 371.456 5.193 0 50 FKAA O=C(NCCCCc1ccccc1)NC1CC(c2ccc(F)c(Cl)c2)C1 2325866582 QHOIBIHJOMHBHA-UHFFFAOYSA-N 374.887 5.047 0 50 FKAA CNc1ccccc1C(=O)O[C@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 992900 CDKDNWCMEVYNRJ-QHCPKHFHSA-N 373.452 5.126 0 50 FKAA COc1ccc(-c2noc(COc3ccc(C4CCCCC4)cc3)n2)cc1 2877463 OZBRLMWJRJIIGQ-UHFFFAOYSA-N 364.445 5.372 0 50 FKAA Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4743580 CEBDKUMDXCOINQ-RBBKRZOGSA-N 360.844 5.582 0 50 FKAA Cn1c(=S)cc2c3c(c(Oc4ccccc4)ccc31)C(=O)c1ccccc1-2 4981415 OOOVNPKNRXMBCI-UHFFFAOYSA-N 369.445 5.911 0 50 FKAA Fc1ccc(-c2n[nH]cc2CNC(c2ccccc2)c2ccccc2)cc1 53945664 UPGJTSOBYDVFIS-UHFFFAOYSA-N 357.432 5.095 0 50 FKAA Cc1noc(C)c1[C@H](C)CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 153624214 YRAZCIYEHBZYKV-VLIAUNLRSA-N 365.477 5.020 0 50 FKAA C[Si](C)(C)[C@]1([C@H](O)c2ccccc2)CC1(c1ccccc1)c1ccccc1 169828993 DGDDYYWJAPYTEG-NOZRDPDXSA-N 372.584 6.189 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@]2(C)C(C)=O)C1 257349643 PRTAHSZPJNARHZ-VNMVBPPZSA-N 372.549 5.476 0 50 FKAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccccc1F 1797496 BFKAIRHSQDARNG-UHFFFAOYSA-N 374.411 5.741 0 50 FKAA COc1ccc(-c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)cc1 3107098 NRVMYAILFDBERQ-UHFFFAOYSA-N 352.433 6.402 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1cccs1 4844517 BYWGDRGGEFFLMQ-UZLBHIALSA-N 362.498 5.269 0 50 FKAA Cc1c(Cl)cccc1NC(=O)c1ccccc1SCc1ccccc1 4985643 XEUPIXGAUVGVBL-UHFFFAOYSA-N 367.901 6.193 0 50 FKAA O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1 8782184 PPSQPHBZQDBWHU-FOCLMDBBSA-N 372.468 5.685 0 50 FKAA COc1cccc2c1O[C@H](C1CCCCC1)N1N=C(c3ccccc3)C[C@@H]21 19833487 AYRZSUCARUPAIH-NZQKXSOJSA-N 362.473 5.145 0 50 FKAA C[C@@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12)SCCS3 257350571 YNVILHLADMIWHU-AXGBLAMUSA-N 350.637 6.596 0 50 FKAA CC[C@@H](C)N1C(=O)CC[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 334162640 DLPCBOAIXXBINV-KUHUBIRLSA-N 366.892 5.950 0 50 FKAA O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3F)cc12 629842 JWMUQOCDJIMZAL-UHFFFAOYSA-N 362.356 5.516 0 50 FKAA biogenic O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 639850 XBUCDZCDAXWTPJ-UHFFFAOYSA-N 350.849 5.574 0 50 FKAA Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 841598 SHDNOCVDLVSCHJ-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA Cc1ccc(-c2nc(Nc3cccc(C(=O)O)c3)c3ccccc3n2)cc1 949541 OIXBITQAAAHTKL-UHFFFAOYSA-N 355.397 5.047 0 50 FKAA O=C(O)c1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 1053762 QWEGXFJZUDIRRS-UHFFFAOYSA-N 366.225 5.159 0 50 FKAA COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCC(C)CC3)n2)cc1 1188773 KPRNJULVZFYYSJ-UHFFFAOYSA-N 373.500 5.364 0 50 FKAA Cc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 1194275 FOIYNBCUZHUKPU-UHFFFAOYSA-N 358.466 6.654 0 50 FKAA COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 1199815 OGSJKXQZHPXXBY-UHFFFAOYSA-N 372.877 5.341 0 50 FKAA Cc1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1 1202933 QPHMQYXISJNKQG-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 2832591 MDJNGMWFKQHDSR-UHFFFAOYSA-N 372.468 5.735 0 50 FKAA COc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 2884120 PUDPIBPJIZFTAR-UHFFFAOYSA-N 367.832 5.180 0 50 FKAA Cc1ccccc1OC[C@@H](C)NCCC(c1ccccc1)c1ccccc1 4072754 PQIYFMIDQZOKDL-OAQYLSRUSA-N 359.513 5.574 0 50 FKAA O=C1[C@@H](c2c[nH]c3ccccc23)CC(c2ccccc2)=NN1c1ccccc1 4612908 RJXCDDSRKOUNAK-HXUWFJFHSA-N 365.436 5.093 0 50 FKAA Cc1ccc(-c2csc(NC(=O)c3ccccc3Cl)c2C(=O)O)cc1 4808116 PEYRAAWXWHOZFA-UHFFFAOYSA-N 371.845 5.327 0 50 FKAA CC[C@H](C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1 5060126 RQLITHPGTYYLRA-IBGZPJMESA-N 356.425 5.627 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 8275585 KOMQGPNCNATTNX-UHFFFAOYSA-N 370.836 5.085 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)Cc1ccccc1-2 1104723 IFKNKHBYYPRUGN-UHFFFAOYSA-N 365.885 5.642 0 50 FKAA Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 1155847 XFHHFGRXDOCUNV-UHFFFAOYSA-N 362.860 5.625 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c(C)c1 1157801 WXRYZLLUCPZJLF-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 1186732 YIPSMYHPYGNQQR-UHFFFAOYSA-N 368.820 5.201 0 50 FKAA Cc1cccc(C)c1NC(=O)Oc1ccc(Cl)cc1Cc1ccccc1 1741830 BQLURDLGUWJDQJ-UHFFFAOYSA-N 365.860 6.159 0 50 FKAA CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 1787244 YPABQTJICOLADG-SFHVURJKSA-N 359.469 5.630 0 50 FKAA CCCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3c(=O)c2)cc1 2144736 ONKLECMQOUWVSN-UHFFFAOYSA-N 352.430 5.264 0 50 FKAA biogenic CC[C@H](C(=O)Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1 4809753 AGGSUFYJSLEHGU-FQEVSTJZSA-N 355.441 5.134 0 50 FKAA c1coc(CN2CCC[C@H](c3[nH]ncc3-c3cccc4ccccc34)C2)c1 20256241 FPJFHDPYOPGNKR-SFHVURJKSA-N 357.457 5.203 0 50 FKAA CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCc1nc(C(C)C)no1 65394335 YOUHLMSEWRBLNB-MRXNPFEDSA-N 352.482 5.203 0 50 FKAA CCCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCCCC1)CC3=O 2084329495 TXUGOHLOWBPYHS-UHFFFAOYSA-N 354.446 5.112 0 50 FKAA Cc1ccc2oc(-c3cccc(NC(=O)Cc4ccccc4)c3C)nc2c1 989716 RFUXVQYQSBZDEC-UHFFFAOYSA-N 356.425 5.293 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)CSCc1c(Cl)cccc1Cl 1130678 MMDXQLTWYQLTFP-UHFFFAOYSA-N 374.720 5.827 0 50 FKAA Cc1ccc(NC(=O)Nc2cc(Cl)ccc2C)c(Br)c1 13321274 QNDXLYDEMLHIDH-UHFFFAOYSA-N 353.647 5.363 0 50 FKAA C[C@@H](CN1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 43151166 GFGRSSQONNCQAL-PXNSSMCTSA-N 363.480 5.199 0 50 FKAA c1ccc(-c2ncn(C[C@H]3CCCCO3)c2-c2ccnc3ccccc23)cc1 65461032 GMZPQEQYRVPWEO-LJQANCHMSA-N 369.468 5.334 0 50 FKAA COCc1nn2c(-c3ccccc3Cl)ccnc2c1-c1ccc(F)cc1 67630413 KQGVNJIWPNAPLC-UHFFFAOYSA-N 367.811 5.002 0 50 FKAA CCC[C@@H](O)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71789377 ICOUPJBNCNTOKV-GOSISDBHSA-N 357.453 5.187 0 50 FKAA in-vitro CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)C[C@H](CC)CCCC 100049228 BZUDVELGTZDOIG-WXFUMESZSA-N 353.679 7.938 0 50 FKAA in-vitro COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@@]12C 257347666 OZFUSVFBHIPUTK-ZNQZYEKSSA-N 370.577 6.177 0 50 FKAA O=C(N[C@H]1c2ccccc2C2CC1C2)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325866294 GVSPTTNNSVKHOM-AMYKWXEBSA-N 366.892 5.134 0 50 FKAA O=C(NCCCc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 2742316 GSTXTVUJRNVILY-QFIPXVFZSA-N 361.510 5.269 0 50 FKAA Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1ccccc1 2867656 LMIBMKHQFLKZQO-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1F)c1sc2ccccc2c1Cl 2871338 LBCDBYLDJMPHDG-UHFFFAOYSA-N 373.758 5.965 0 50 FKAA CSc1ccccc1C(=O)Nc1ccccc1Sc1ccccc1 2876127 WYUBGYUEISYJJT-UHFFFAOYSA-N 351.496 5.812 0 50 FKAA O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1Cl 3121893 YXBCSWAARDZFJS-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA CC(C)OP(=O)(COCP(=O)(OC(C)C)OC(C)C)OC(C)C 3149643 QBAREEWDOZOQKB-UHFFFAOYSA-N 374.351 5.004 0 50 FKAA Oc1ccc2c(c1)Oc1cc(O)ccc1C21c2ccccc2-c2ccccc21 4713071 ZTQUBBFVYUHQRC-UHFFFAOYSA-N 364.400 5.567 0 50 FKAA in-vitro C[C@H](NC(=O)CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccccc1 4810727 DBWCPODJZMDQMG-LPQUZFDESA-N 373.540 5.792 0 50 FKAA Cc1ccc(Cn2ccc(NC(=S)Nc3ccc(C)c(Cl)c3)n2)cc1 13330806 PLMQZDUMBJKYAK-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA Cc1ccc(-c2nc(CN3CC[C@@H](c4ccccc4F)C3)c(C)o2)s1 19225336 YSUWCLJCQJFTHX-OAHLLOKOSA-N 356.466 5.149 0 50 FKAA CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1 66351911 APIUMVXKBCYBSC-UHFFFAOYSA-N 360.453 6.288 0 50 FKAA CCCCn1ccnc1[C@@H]1CCCN(c2cc(C)c3cc(F)ccc3n2)C1 95390143 CBMDCCCKUHFXGS-QGZVFWFLSA-N 366.484 5.063 0 50 FKAA CC(C)(C)OC(=O)N1CCC(N(c2ccccc2)c2ccccc2)CC1 95831085 YLLQWQAWIYVBOZ-UHFFFAOYSA-N 352.478 5.224 0 50 FKAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2Cl)cc1 299762575 NTFIHRRRKHYYLX-HXUWFJFHSA-N 371.912 5.161 0 50 FKAA Cc1nc(-c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cs1 440432597 KLIYMFAGOJPGCB-UHFFFAOYSA-N 362.376 5.390 0 50 FKAA Clc1nc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)n1 1542033335 NKLKYZYRMGGYGN-UHFFFAOYSA-N 357.800 5.758 0 50 FKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)Oc1cccc2cccnc12 640510 JYZJTRDZLRICNM-UHFFFAOYSA-N 367.619 5.806 0 50 FKAA O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 1190064 MTNAVQZPGXQKGS-FOCLMDBBSA-N 366.420 5.304 0 50 FKAA in-vitro Cc1cccc(Oc2c(F)c(F)c(Oc3cccc(C)c3)c(F)c2F)c1 3123001 GRDRSPCGSXNSFP-UHFFFAOYSA-N 362.322 6.444 0 50 FKAA Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 4910760 IOWHZDZFLLRNQE-INIZCTEOSA-N 367.489 5.099 0 50 FKAA CC(=C\c1ccccc1)/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 5018576 FBFKDUXLPZLKNM-QKIOLIMFSA-N 355.846 5.527 0 50 FKAA COc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1 5720571 ZCAIWNHPCDNMGQ-LEWJYISDSA-N 351.833 5.579 0 50 FKAA Cc1cccc(C)c1NC(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 11816249 DTVHDHFKAXDTJG-KRWDZBQOSA-N 370.880 5.084 0 50 FKAA CCCCCc1cc2c(c(O)c1C(=O)O)-c1cc(C)ccc1C(C)(C)O2 13383015 KXKOBIRSQLNUPS-UHFFFAOYSA-N 354.446 5.426 0 50 FKAA biogenic,in-vitro Cc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 100702603 LNECCGXDZZLMBE-GGAORHGYSA-N 374.871 5.891 0 50 FKAA Cc1ccc([C@@H]2c3ccc4ccccc4c3Oc3nc(C)nc(O)c32)cc1 1547138034 VNVGXKZXSJHASB-LJQANCHMSA-N 354.409 5.238 0 50 FKAA O=C(Nc1sc(-c2ccc(F)cc2)nc1-c1ccccc1)c1ccccc1 1857798553 MZBHUXJKRJWDGC-UHFFFAOYSA-N 374.440 5.869 0 50 FKAA Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1Cl 2325817128 PRHGTXYMRBMSMQ-UHFFFAOYSA-N 357.862 5.116 0 50 FKAA C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1C[C@H]1c1ccccc1 2325866454 LHQDCEQZYKNGEU-NXYHCZHGSA-N 368.908 5.077 0 50 FKAA COc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 992684 VLGOBFFRKAPHDG-UHFFFAOYSA-N 353.805 5.393 0 50 FKAA O=C(Nc1ccncc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 995718 CAUKPNLKZOFGQL-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(Br)c1 1113021 IHAMARKWJHQWEQ-FNORWQNLSA-N 371.061 5.408 0 50 FKAA Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 1118933 CMSZQQNSJDTHNE-UHFFFAOYSA-N 370.452 5.981 0 50 FKAA Cc1cccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)c1 1127406 URVREDSCKFWKNA-IRXDYDNUSA-N 359.260 5.040 0 50 FKAA Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C 1189567 HLHFVXJFRYJTIC-UHFFFAOYSA-N 352.437 5.771 0 50 FKAA O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)c1ccccc1 1712262 IPULFRPFZGMSED-UHFFFAOYSA-N 364.011 5.229 0 50 FKAA O=C(CCSc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 4858516 KEUDINXDIIKKIS-UHFFFAOYSA-N 359.800 5.480 0 50 FKAA c1ccc(C(NCc2cccnc2)(c2ccccc2)c2ccccc2)cc1 13831244 PQFNWDHABGBCHB-UHFFFAOYSA-N 350.465 5.163 0 50 FKAA in-vitro CCOc1ccc([C@H](Nc2ccccc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 15635813 ALKPVMODDDUWSR-MJECEPGDSA-N 361.378 5.215 0 50 FKAA CC1(C)C2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(C)O)[C@]2(C)Cc2cnoc21 248327941 AXLOCHLTNQDFFS-NUKWZWICSA-N 355.522 5.038 0 50 FKAA CC(C)Oc1ccc([C@@H](C)NCc2nc(C3CC3)cs2)cc1Cl 793551514 UNKJUQCBZIJTNA-GFCCVEGCSA-N 350.915 5.312 0 50 FKAA CC(C)Oc1ccc(NC(=O)C2CC(C3CCC3)C2)cc1C(F)(F)F 1875330398 QDBGDTQEECRPSP-UHFFFAOYSA-N 355.400 5.257 0 50 FKAA CC[C@H](C)c1ccccc1NC(=O)c1sc2cc(F)ccc2c1Cl 685974 OIWFNDKRLHUTIF-NSHDSACASA-N 361.869 6.460 0 50 FKAA Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 955320 YSIONTGVORQPFR-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA CC[C@H](Oc1ccc(NC(=O)c2ccc(C)cc2)cc1)C(=O)c1ccccc1 993002 YJKMLJBBMOCDRF-QFIPXVFZSA-N 373.452 5.288 0 50 FKAA CCc1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 1157838 ADXNXGTUBUMZEU-OQKWZONESA-N 357.453 5.437 0 50 FKAA O=C(Nc1ccc(F)c(F)c1)[C@@H](Sc1ccccc1)c1ccccc1 1218653 CWOYTCHUYHSNKT-IBGZPJMESA-N 355.409 5.437 0 50 FKAA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(Cl)c(Cl)c1 2544869 MXWKQVWXKGZTPJ-UHFFFAOYSA-N 374.054 5.058 0 50 FKAA Cc1cnc(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)s1 2791146 PIRAZIADNAKVCI-UHFFFAOYSA-N 374.821 5.173 0 50 FKAA COc1ccc(Cl)cc1NC(=S)N1CCC(Cc2ccccc2)CC1 2857721 RWVPDLXMRWWWTB-UHFFFAOYSA-N 374.937 5.000 0 50 FKAA CC(=O)[C@]12CCCC[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253500257 NTISSUBFZAIVDS-XAJZJVRXSA-N 370.577 5.686 0 50 FKAA biogenic Brc1ccccc1Cc1csc(-c2n[nH]c3ccccc23)n1 1875358916 NCRZFDUUDMDMBN-UHFFFAOYSA-N 370.275 5.040 0 50 FKAA COc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1C 1184351 YLIYYTOSCOBLOF-UHFFFAOYSA-N 368.738 5.449 0 50 FKAA O=C(COc1nc2ccccc2s1)n1c2ccccc2c2ccccc21 2230005 FNYZJINPZJVDKV-UHFFFAOYSA-N 358.422 5.123 0 50 FKAA COc1ccc(CC[C@@H](C)Nc2cc(-c3ccccc3)ccc2OC)cc1 2896633 TUHBLVQFXQKHGG-GOSISDBHSA-N 361.485 5.804 0 50 FKAA C[C@@H](CN1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1)c1ccccc1 12246079 OAUVIERVZXHFJM-KRWDZBQOSA-N 363.480 5.199 0 50 FKAA COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1Cl 36620478 CNUBDVCIUILRDW-QGZVFWFLSA-N 374.868 5.035 0 50 FKAA COc1cccc(OC)c1-c1ccccc1P(C(C)(C)C)C(C)(C)C 82046927 JJPUFWFLYXQTEU-UHFFFAOYSA-N 358.462 6.075 0 50 FKAA Cc1ccc(Oc2ccc(N3C(=O)[C@@H](C)SC34CCCCC4)cc2)cc1 1875281801 XKSGCUBFMZINRA-QGZVFWFLSA-N 367.514 5.916 0 50 FKAA Cc1cc(SCc2ccc(C(F)(F)F)cc2)nc(-c2ccccn2)n1 1875288124 OEAYSYAQQBJGHQ-UHFFFAOYSA-N 361.392 5.158 0 50 FKAA O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc2c(C3CC3)cccc2[nH]1 2325824008 LTFRCMRHCUOEHB-UHFFFAOYSA-N 366.371 5.112 0 50 FKAA CCCCCCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325824316 YAEFPKUQPWOJRK-UHFFFAOYSA-N 354.494 6.816 0 50 FKAA Cc1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1 624108 GVTBBTIQMDBGNJ-UHFFFAOYSA-N 367.861 5.277 0 50 FKAA CCN(CC)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1217337 IKGHJZJSFNXKEH-UHFFFAOYSA-N 352.265 5.484 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)NC1CCCCC1 1218362 BEKRFEIFYYMXGW-UHFFFAOYSA-N 370.305 5.571 0 50 FKAA C(=C/c1ccccc1)\CSc1nnc(SCc2ccccc2)s1 2229191 FLICSINQLWAGRG-KPKJPENVSA-N 356.541 5.636 0 50 FKAA c1ccc2oc(SCCCCCSc3nc4ccccc4o3)nc2c1 2665583 GIVAVNLFMPNAET-UHFFFAOYSA-N 370.499 6.024 0 50 FKAA CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 4832062 YIOMDCASZUDCKG-UHFFFAOYSA-N 358.441 5.062 0 50 FKAA CCCCCCOc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1 22078429 FTFVBXGIVHJRDK-QHCPKHFHSA-N 352.522 5.768 0 50 FKAA Cc1ccc(-c2cs/c(=N\c3cc(C)ccn3)n2C2CCCCC2)cc1 102317792 WDAAAZADNJNBDU-GYHWCHFESA-N 363.530 5.966 0 50 FKAA CCCC1=C(C(C)C)NC(C(C)C)=C([C@H](C)O)[C@H]1c1ccc(F)cc1O 212192363 OINVVPOIGFSNHM-XOBRGWDASA-N 361.501 5.219 0 50 FKAA CC[C@@H](C)c1ccccc1NC(=O)c1cc(Br)ccc1OC 1130695 LGUYKAHKDHSDGZ-GFCCVEGCSA-N 362.267 5.224 0 50 FKAA CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2 1530695 KLBQZWRITKRQQV-INIZCTEOSA-N 370.587 5.886 0 50 FKAA biogenic,fda COc1cc2c(cc1OC)[C@H](c1cccc3ccccc13)O[C@@H]1CCCC[C@@H]21 15024235 GEPYGDSDXRTPJA-FKRCVWNDSA-N 374.480 6.003 0 50 FKAA COc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 45068140 FYXHJEUZNXXJDO-IBGZPJMESA-N 368.889 5.766 0 50 FKAA CCSc1ccc(Cl)cc1C(=O)Nc1cnn(-c2ccccc2)c1C 129236961 IIKCSEHUBJJDHX-UHFFFAOYSA-N 371.893 5.198 0 50 FKAA CSc1cccc(CN(C(=O)c2[nH]c3ccc(F)cc3c2C)C(C)C)c1 952872882 RDPGTNKXDHOHEF-UHFFFAOYSA-N 370.493 5.388 0 50 FKAA COc1ccccc1-n1sc2c(c1=S)-c1cc(C)ccc1NC2(C)C 984993 DTDAYBNNZIXKQK-UHFFFAOYSA-N 368.527 5.913 0 50 FKAA COc1ccccc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 1143265 WKBNAKSCXDYATR-UHFFFAOYSA-N 373.452 5.015 0 50 FKAA CCc1ccccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 1453663 NNCYWJVYKSWHCB-UHFFFAOYSA-N 359.347 5.780 0 50 FKAA O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc(Cl)cc1Cl 1508124 VXYGRZBHGNHLAR-UHFFFAOYSA-N 373.264 6.009 0 50 FKAA CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1 2244943 KUVALWKDLVTCGG-UHFFFAOYSA-N 374.893 5.114 0 50 FKAA aggregator COc1cccc(-c2cc(C(=O)N[C@H](C)C(C)(C)C)c3ccccc3n2)c1 2867589 IQJTTWRBQLSDMB-OAHLLOKOSA-N 362.473 5.075 0 50 FKAA O=C(C[C@@H](Nc1cccc(Cl)c1)c1ccc(F)cc1)c1ccccc1 2873331 UEOQDSSPCODCBQ-HXUWFJFHSA-N 353.824 5.905 0 50 FKAA CSc1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1 2876022 REFBWXAFSIXRNP-UHFFFAOYSA-N 356.672 5.077 0 50 FKAA COc1ccc(NC(=O)[C@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)cc1 2924630 PPHQSRNPYMBDFG-HSZRJFAPSA-N 371.480 5.257 0 50 FKAA COc1cc(C=O)ccc1OCCCCOc1cccc(Cl)c1Cl 4702003 RIBFYFSXFUKNJX-UHFFFAOYSA-N 369.244 5.053 0 50 FKAA CCOc1ccc(NC(=O)NC2c3ccccc3Oc3ccccc32)cc1 4783950 RUMNQZPNAQUMEP-UHFFFAOYSA-N 360.413 5.102 0 50 FKAA O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccccc1 4785159 NNYKXFFUECTJJD-CCEZHUSRSA-N 363.420 5.037 0 50 FKAA CC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccccc3Cl)cc12 5495669 KGMIDYMAOHASKN-UHFFFAOYSA-N 374.827 5.088 0 50 FKAA C[C@@H](c1ccc(Cl)cc1)n1c(S)nnc1-c1ccc2ccccc2n1 5897657 BCVLSNDPGDOOHP-LBPRGKRZSA-N 366.877 5.045 0 50 FKAA Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)c(C)c1 6964919 GDQYQMSCASUBRA-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA Cc1c(CC(=O)c2ccccc2)cc(-c2ccccc2)nc1-c1ccccc1 13281333 OVADEZBYCKMTFV-UHFFFAOYSA-N 363.460 6.149 0 50 FKAA COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)[C@@H]2CCCCC2=O)cc1 22258613 ZDEUPEMTSXKICC-PMACEKPBSA-N 370.876 5.465 0 50 FKAA Clc1ccc(CN2CCC(Sc3ccc4ccccc4n3)CC2)cc1 48564166 FKVXFPMQKUFPFE-UHFFFAOYSA-N 368.933 5.645 0 50 FKAA O[C@@]1(c2ccccc2)CCN(Cc2c(F)cccc2Cl)[C@H]2CCCC[C@@H]21 97637828 JYUOMKLASDVUOJ-YUXAGFNASA-N 373.899 5.131 0 50 FKAA CC(=O)[C@@H](C(=O)c1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 100620111 LHSFJGLRWCYDFF-OAQYLSRUSA-N 360.384 5.151 0 50 FKAA C[C@@H]1C[C@H](NC(=O)NCCCCc2ccccc2)C[C@@H](c2ccccc2)C1 2325866292 GVORQBPWKSRLQJ-VJBMBRPKSA-N 364.533 5.281 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1sc2cccc(Cl)c2c1Cl 636989 NYFLTRRLZMICNF-UHFFFAOYSA-N 356.661 6.114 0 50 FKAA O=C(CSc1nc2ccccc2s1)Nc1cccc2ccccc12 713112 NXVGKDWDVHMCQA-UHFFFAOYSA-N 350.468 5.180 0 50 FKAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2o1 841540 HCZWMMRGUQODRX-UHFFFAOYSA-N 369.380 5.197 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4ccccc4OC)c3)nc2c1 990007 DMOWSFCYYVRDIS-UHFFFAOYSA-N 372.424 5.318 0 50 FKAA CCc1sc(NC(=O)Cc2c(F)cccc2Cl)nc1-c1ccccc1 1049078 LVOXCXJQPYEWLJ-UHFFFAOYSA-N 374.868 5.346 0 50 FKAA CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1 1073870 ZIAHEDPZUGMZMM-UHFFFAOYSA-N 362.454 5.049 0 50 FKAA aggregator CCC(=O)c1ccc(OCc2cccc(C(=O)Oc3ccccc3)c2)cc1 1124659 ROMVJCBQWCGUDV-UHFFFAOYSA-N 360.409 5.078 0 50 FKAA FC(F)(F)c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 1205935 SKPMGVIWAPNVBW-UHFFFAOYSA-N 369.140 5.185 0 50 FKAA CCC(=O)N(CC[C@H](Cc1ccccc1)c1ccco1)Cc1ccco1 2102582 OWDIDYHPPQNBSA-LJQANCHMSA-N 351.446 5.028 0 50 FKAA biogenic Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1 2521563 UHCLFIWDCYOTOL-UHFFFAOYSA-N 360.882 7.274 0 50 FKAA biogenic,in-vitro COC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc(C)c1C 2748840 JIDCZPUSWRYOJM-UHFFFAOYSA-N 365.454 5.071 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)C1(c2ccc(Cl)cc2)CCCC1 2848451 WTQSQBDBZQJMRB-UHFFFAOYSA-N 368.691 6.097 0 50 FKAA Clc1ccc(N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 2894004 CMMFFTWWOBTFMT-UHFFFAOYSA-N 354.925 5.188 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)cc1 4724412 NCOMJCIBNBXBRG-UHFFFAOYSA-N 366.214 5.601 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccs1)O2 4854187 BFPZVGYIIPFQLJ-YLJYHZDGSA-N 366.873 5.644 0 50 FKAA CCn1c2ccccc2c2cc(CNCCc3ccccc3OC)ccc21 4891691 ZTQHVCNNYZADAL-UHFFFAOYSA-N 358.485 5.155 0 50 FKAA Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)n1 6401574 DSWKUVDYORFFFD-UHFFFAOYSA-N 373.843 5.511 0 50 FKAA O=P(Nc1ccccn1)(Oc1ccccc1F)Oc1ccccc1F 7003997 ZYCRWBYKFQQRSA-UHFFFAOYSA-N 362.272 5.038 0 50 FKAA Cc1cc(C)c2oc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)nc2c1 13616725 UMNODCLGUMPINJ-MDZDMXLPSA-N 358.397 5.357 0 50 FKAA Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 19800218 DTEROEPXHJMAAB-YLJYHZDGSA-N 350.418 5.130 0 50 FKAA Cc1ccsc1CN(Cc1ccccn1)Cc1nc(C(C)C)cs1 55036451 FRNFQNYIHXTLOJ-UHFFFAOYSA-N 357.548 5.234 0 50 FKAA CCCCCn1cc(C(=O)Oc2cccc3ncccc23)c2ccccc21 95726727 OSRRQNMXXGSCGK-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro Clc1cc(Cl)c(COc2ccc(-c3ccncc3)cc2)cc1Cl 1875350081 ZVUVDHKLDNILEA-UHFFFAOYSA-N 364.659 6.288 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)Nc1c(Cl)cccc1Cl 641003 XMHZKIUOUICESN-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA OC1(c2ccc(Cl)cc2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 753451 YWQLVRKNZABYEG-UHFFFAOYSA-N 370.707 5.130 0 50 FKAA Cc1oc2ccc(OC/C=C/c3ccccc3)cc2c1C(=O)OC(C)C 1797701 WRFJEWONFUGUOY-JXMROGBWSA-N 350.414 5.399 0 50 FKAA biogenic CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(OC)cc1 2979013 JCPITUDOXVKXJK-UHFFFAOYSA-N 370.449 5.163 0 50 FKAA CCCCCC[C@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 6783017 IEKIFXSJHKVQDS-HRAATJIYSA-N 372.534 5.944 0 50 FKAA CC[C@H](C)c1ccc(-n2c(S)nnc2CSCc2ccccc2)cc1 17075807 UEEJASMZACZFCV-HNNXBMFYSA-N 369.559 5.503 0 50 FKAA Cc1cccc(N[C@H](c2ccc(F)cc2)c2ccc3ccc(C)nc3c2)n1 68675254 OCNSGNSTZHSCHW-HSZRJFAPSA-N 357.432 5.587 0 50 FKAA CC(C)n1ccnc1C1CCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1 91434210 HMRSCEDOBYGJBR-UHFFFAOYSA-N 369.406 5.002 0 50 FKAA O=C(Nc1cccc(F)c1)Oc1ccc2cc(Br)ccc2c1 640913 URFXTZBVPGAKLS-UHFFFAOYSA-N 360.182 5.352 0 50 FKAA COc1ccc([C@@H](CC(=O)C(C)(C)C)[C@H]2CCc3ccccc3C2=O)cc1 641875 ZZYKBSGXGACMPA-NHCUHLMSSA-N 364.485 5.229 0 50 FKAA CCCC(CCC)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 802311 ACYLKOVMRBBUGN-UHFFFAOYSA-N 353.422 5.152 0 50 FKAA C[C@@H](CCc1ccccc1)NC(=O)C1c2ccccc2Oc2ccccc21 1140056 SATBWDBTOYGUSA-KRWDZBQOSA-N 357.453 5.062 0 50 FKAA Cc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)c1 1143397 ASCMALAQEXFXOO-UHFFFAOYSA-N 366.848 5.183 0 50 FKAA Cc1cccc(N2C(=O)c3ccc(Oc4ccc(C)c(C)c4)cc3C2=O)c1 1153693 PDGMGKNHKHSXNL-UHFFFAOYSA-N 357.409 5.205 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2c3c(nc4ccccc24)CCCC3)cc1 2179039 YTHXLANVRCADGR-UHFFFAOYSA-N 358.485 5.663 0 50 FKAA Cc1ccc(F)c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 2237160 BBNXQLZXCRHQCF-UHFFFAOYSA-N 362.763 5.142 0 50 FKAA O[C@H]1/C(=C/c2cc(Cl)ccc2OCc2ccccc2)Oc2ccccc21 4832324 NEOFDOFWDRKBAC-WCCCRJGXSA-N 364.828 5.386 0 50 FKAA Cc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5031480 XUOKYNFKRSLXCX-GMAHTHKFSA-N 374.871 5.891 0 50 FKAA CC(C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5285149 ZZUBQKVWKMCSRJ-UHFFFAOYSA-N 350.485 6.556 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccs1)O2 13616541 BFPZVGYIIPFQLJ-XLIONFOSSA-N 366.873 5.644 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@@H](C)O 13737354 HTNMZCWZEMNFCR-FQPARAGTSA-N 361.570 5.629 0 50 FKAA in-vitro Cc1ccc2[nH]cc(CCNC(=O)c3sc4ccccc4c3Cl)c2c1 13957965 SBOVHADISCPDRW-UHFFFAOYSA-N 368.889 5.317 0 50 FKAA CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc21 13961214 DOQHTXZGJJLYCQ-UHFFFAOYSA-N 363.383 5.234 0 50 FKAA CC(C)=CCCCC[C@@H](C)[C@@]1(S(=O)(=O)c2ccccc2)C=CC(=O)CC1 45071635 BVAFROOEAGQLAN-DENIHFKCSA-N 374.546 5.281 0 50 FKAA C[C@@H](NC(=O)CC1(n2cccc2)CCCCC1)C12CC3CC(CC(C3)C1)C2 888103890 IIEFOTYVFQUWCZ-NNHRIFFJSA-N 368.565 5.259 0 50 FKAA Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c1[nH]c1ccccc12 802074 ZZUSQQZFNBUFKM-UHFFFAOYSA-N 369.346 5.296 0 50 FKAA FC(F)(F)c1ccc(Cl)c(Nc2nnc(-c3ccncc3)s2)c1 1117523 NELTYWCUMXMUAA-UHFFFAOYSA-N 356.760 5.016 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)Nc2ccccc2OC(F)F)cc1 1120488 OINKXILLHNLQNL-LBPRGKRZSA-N 350.434 5.610 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)cc4)c3)nc2c1 1210073 UXXDWJUFNCORMX-UHFFFAOYSA-N 372.424 5.318 0 50 FKAA Cc1cccc(NC(=O)c2ccc(COc3cccc4ccccc34)cc2)n1 2752959 CYSNVHWHZCMALE-UHFFFAOYSA-N 368.436 5.375 0 50 FKAA O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1Cl 2986071 HLLQAYYFEKZROL-UHFFFAOYSA-N 374.720 5.310 0 50 FKAA Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)cc1Cl 3116620 RAIKQOWKVAEKOL-UHFFFAOYSA-N 365.241 5.040 0 50 FKAA COc1cc2c(cc1NC(=O)Cc1ccc(Cl)cc1)oc1ccccc12 3764279 WRICXCBDIROJGA-UHFFFAOYSA-N 365.816 5.429 0 50 FKAA CC(C)(C)c1csc(NC(=O)c2cc(Br)ccc2Cl)n1 5937634 QUMXKYYSLAOVAU-UHFFFAOYSA-N 373.703 5.109 0 50 FKAA Cc1nc(NCc2cccs2)sc1-c1ccn(Cc2ccccc2)n1 12037885 IGBPQDILSUDAIS-UHFFFAOYSA-N 366.515 5.037 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](C1CCCCC1)O2 100707908 FJALTQDTMYHTAY-PXNSSMCTSA-N 372.921 5.851 0 50 FKAA CC(C)(CC(=O)N1CCC(c2ccncc2)CC1)Cc1ccc(Cl)cc1 192285823 YGCLQCSDHOPVNT-UHFFFAOYSA-N 370.924 5.100 0 50 FKAA O=C(c1ccc(-c2ccccc2)cc1)N1CCCC[C@@H]1C1(C(F)(F)F)N=N1 1875355897 FOPXQNWDTHCNME-QGZVFWFLSA-N 373.378 5.073 0 50 FKAA O=C(Nc1ccccc1Cl)Oc1ccc(C(=O)c2ccccc2)cc1 641016 AIMSPVJYMZMJJK-UHFFFAOYSA-N 351.789 5.182 0 50 FKAA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1 1145938 HZLWUKLOJIRUTP-UHFFFAOYSA-N 372.468 5.118 0 50 FKAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C(Cl)(Cl)Cl 1207316 HRXMMYAZLHZYGD-UHFFFAOYSA-N 371.676 5.272 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc2c(Cl)cccc2s1 2853348 KODOUZHPSAOEBA-UHFFFAOYSA-N 371.771 5.613 0 50 FKAA Cc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1Cl 4541799 AGURUZLDWWIWFK-UHFFFAOYSA-N 374.267 6.133 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1C 4841858 VIVUYQZCCATNQB-UHFFFAOYSA-N 357.413 5.067 0 50 FKAA O=C(Nc1ccc(F)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 4990959 AOPCEGOYJWKODO-UHFFFAOYSA-N 350.176 5.645 0 50 FKAA CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 5821119 UCONUSSAWGCZMV-HZPDHXFCSA-N 358.478 5.434 0 50 FKAA biogenic,in-vitro Clc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 39959756 DJYZXHAHQNCNNR-GOSISDBHSA-N 373.308 6.411 0 50 FKAA CC1(C)CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(-c2ccon2)cc1 1875335848 JETBKSLFGLLIDQ-FQEVSTJZSA-N 361.445 5.177 0 50 FKAA O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(F)c(F)cc1Cl 645798 GRYOUZMUIPLMRI-UHFFFAOYSA-N 371.770 5.102 0 50 FKAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1O 711866 UCWRBXVEONUMEK-UHFFFAOYSA-N 372.449 5.435 0 50 FKAA COc1cc2c(cc1OC)C1(CCCCC1)CN[C@@H]2CCc1ccccc1 756427 PVKKUWPMOIXVHK-OAQYLSRUSA-N 365.517 5.183 0 50 FKAA CCc1cccc(C)c1NC(=O)c1cccc2c(Br)cccc12 1157457 KOSUBBKMIJKVMO-UHFFFAOYSA-N 368.274 5.725 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 1166449 HDNGOKNTLLZYDS-UHFFFAOYSA-N 368.603 5.006 0 50 FKAA Fc1ccc(Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1F 1187390 IHSNMGHHYQKKKB-UHFFFAOYSA-N 360.367 5.227 0 50 FKAA Cc1ccc2c(c1)nc(SCC(=O)c1ccc(-c3ccccc3)cc1)n2C 1195161 LMLOOAUQOUVKTP-UHFFFAOYSA-N 372.493 5.524 0 50 FKAA COc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1Cl 2982496 TWIBXJHYVWNBDO-UHFFFAOYSA-N 356.274 5.123 0 50 FKAA Cc1ccc(OCc2nc3ccccc3n2CCCOc2ccccc2)cc1 13030774 MVZFEQMSXVLIIQ-UHFFFAOYSA-N 372.468 5.393 0 50 FKAA CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3cccc(C)c3n2)cc1 17075913 KRTOAGCDYMKIES-UHFFFAOYSA-N 370.452 5.296 0 50 FKAA O=C(Nc1ccc(Cl)cc1F)NC(c1ccccc1)c1ccccc1 20509602 ZCJICYXCAJOEFK-UHFFFAOYSA-N 354.812 5.390 0 50 FKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3C(=C(Cl)[C@@]45CC[C@@H](C)[C@@H]4CC[C@@]35C)C[C@@H]12 71786357 XFAURFYZPSAOGO-UVEBSZQQSA-N 361.013 7.424 0 50 FKAA Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)N[C@H](C)c1ccc(F)cc1F 490376476 WDVMTAUSYGQGDV-FOIQADDNSA-N 360.448 5.373 0 50 FKAA C[C@@H]1CC(Sc2nnc(-c3ccco3)n2-c2ccccc2)C[C@@H](C)C1 1875335215 WXRQSOJDMWZNIZ-GJZGRUSLSA-N 353.491 5.444 0 50 FKAA CCc1cccc(N(C(=O)C[C@@H]2CCCC[C@@H]2C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 2325817722 PTOFXDBRRWUWNF-NSYZTORCSA-N 353.550 5.987 0 50 FKAA COc1ccc2c(c1)NC(C)(C)c1sn(-c3ccc(C)cc3)c(=S)c1-2 686900 LKTNNQPFZLFHRE-UHFFFAOYSA-N 368.527 5.913 0 50 FKAA COc1ccc(NC(=O)c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2)cc1 753112 MMWYFSKPWZEGSX-UHFFFAOYSA-N 373.452 5.104 0 50 FKAA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccsc3)C2)c(=O)o1 755210 YURAIAPXAXEXJI-QGZVFWFLSA-N 369.467 5.073 0 50 FKAA Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 1053274 QORPAZYBFIXPOG-UHFFFAOYSA-N 359.800 5.398 0 50 FKAA COc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 1121900 DXADUMMZLGTWMX-UHFFFAOYSA-N 356.466 5.595 0 50 FKAA Cc1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 1166736 NPROVLMOJKKTOP-UHFFFAOYSA-N 363.800 5.241 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 2080111 NHXQLDAOQUWVBP-UHFFFAOYSA-N 360.187 5.069 0 50 FKAA Cc1ccc(C(C)C)cc1OCCOCCOc1cccc2cccnc12 2991362 GCRDFAWHXPJXDM-UHFFFAOYSA-N 365.473 5.141 0 50 FKAA C[C@@H](c1ccccc1)C(Br)(Br)c1ccccc1 3137137 KFGYRDHSWRZPFU-LBPRGKRZSA-N 354.085 5.433 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1C1(CCCCC1)O2 4310835 UPBAHCYVALVGQQ-IBGZPJMESA-N 352.865 5.544 0 50 FKAA Cc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c(C)c1 4542919 UJJPIIGYECGDHZ-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA Cc1ccc([C@](O)(c2ccccc2)c2ccccc2[C@H](C)N(C)C)c(C)c1 5008625 CBZLKJDOSMRWOF-NBGIEHNGSA-N 359.513 5.210 0 50 FKAA CCCCCCNC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O 5063828 FFTXUVMCLPXDTB-SFHVURJKSA-N 359.897 5.264 0 50 FKAA Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1Cl 8730068 MLYFRFXBTRLSRY-UHFFFAOYSA-N 356.665 5.183 0 50 FKAA Fc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)c1 42926011 RZXKACSUNIEBSH-GOSISDBHSA-N 374.463 5.077 0 50 FKAA CCOc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cc1 64984550 KDXCOXKETOOVMN-HXUWFJFHSA-N 356.441 5.374 0 50 FKAA CSc1ccc2c(C)cc(NC[C@H](c3cccs3)N(C)C)nc2c1 1704349516 IISUZGUWFKRKMG-QGZVFWFLSA-N 357.548 5.041 0 50 FKAA CCCCOC1CCN(c2nc(-c3ccc(C(C)C)cc3)cs2)CC1 2325866678 WBCXLIARNXLUJZ-UHFFFAOYSA-N 358.551 5.719 0 50 FKAA Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1ccc(F)cc1 667763 KEEWSHBEGQMVRI-UHFFFAOYSA-N 373.431 5.093 0 50 FKAA CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(C)cc1 1176561 DPFAJAXNROVTIF-UHFFFAOYSA-N 354.450 5.462 0 50 FKAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(Cl)c1C 1774738 PJNYMMHRCGZEKJ-UHFFFAOYSA-N 368.864 5.734 0 50 FKAA CC[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H](C)c1ccccc1 2836898 BWOWZFNRZAJOEH-XJKSGUPXSA-N 356.516 5.044 0 50 FKAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3cccc(Cl)c3)oc2C)c1 12298054 KOSWAEWFLIFQKO-CQSZACIVSA-N 370.880 5.505 0 50 FKAA Cc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13329893 XQTCQCLFOIJHSO-JTQLQIEISA-N 357.668 5.838 0 50 FKAA Cc1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccc(F)cc3)c2n1 21799000 NVESQDAVTSUDLU-UHFFFAOYSA-N 352.800 5.241 0 50 FKAA COc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1Cl 32540734 BWAYOYWPISKKJI-UHFFFAOYSA-N 353.731 5.054 0 50 FKAA CC1(c2ccccc2P(C2CCCCC2)C2CCCCC2)OCCO1 40434602 ZQASITYRQOCACA-UHFFFAOYSA-N 360.478 5.679 0 50 FKAA CC(C)(C)c1ccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 44125426 HNWJDELJVKGMRP-UHFFFAOYSA-N 352.478 5.244 0 50 FKAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 91663045 YFNQPRYDXZZJBA-AWEZNQCLSA-N 371.531 5.162 0 50 FKAA O=C(Nc1cc(Cl)c(Cl)cc1Cl)Nc1cccc2ccccc12 640986 IUZADSWBXSFHPD-UHFFFAOYSA-N 365.647 6.444 0 50 FKAA CCOc1cccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)c1 681646 FIRQRRSOEAAWFP-UHFFFAOYSA-N 374.484 5.173 0 50 FKAA COc1ccccc1Nc1ncnc2scc(-c3ccc(F)cc3)c12 959722 VXYHPLZIFJIKQH-UHFFFAOYSA-N 351.406 5.250 0 50 FKAA CC(=O)c1cccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1 1025807 WKKDREJOJDHTDA-UHFFFAOYSA-N 362.458 5.021 0 50 FKAA O=C(Nc1cccc(Cl)c1)Nc1ccccc1[C@@H]1CC1(Cl)Cl 1078714 JXBPVIQHUPJJPQ-ZDUSSCGKSA-N 355.652 5.645 0 50 FKAA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccncc1 1181783 TXZRHQPSNFCCHL-DEOSSOPVSA-N 356.469 5.217 0 50 FKAA CCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(OCC)cc2)cc1 2522825 QVUSHDHMLLZBDM-UHFFFAOYSA-N 372.417 5.010 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 2911209 MULXADILRLRBFW-UHFFFAOYSA-N 372.424 5.454 0 50 FKAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1ccc2ccccc2c1 2978790 UDRHSHOYTIQQSM-UHFFFAOYSA-N 370.470 5.048 0 50 FKAA Cn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nc2ccccc21 4018001 JHOBGIYSYIPQHJ-UHFFFAOYSA-N 370.477 5.120 0 50 FKAA Cc1c(Cl)cccc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 4541805 WMIGFOCMVIDLJL-UHFFFAOYSA-N 374.267 6.133 0 50 FKAA CC(C)c1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4542147 ITUFZYIVFRTBIF-UHFFFAOYSA-N 372.679 5.788 0 50 FKAA O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1CCc1ccccc1 4832349 IIVPNIZBLQLEHE-UHFFFAOYSA-N 353.824 5.517 0 50 FKAA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]3C4(CC[C@@]3(C)CC[C@H]12)SCCS4 5276642 XNXDXWRARMMNIA-FGSPNWDHSA-N 350.637 6.596 0 50 FKAA Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(Cl)c2C)c1 8289457 VJWISMHHWXXRBV-UHFFFAOYSA-N 370.836 5.085 0 50 FKAA Cc1c(NC(=O)/C=C\c2ccccc2)cccc1-c1nc2ccccc2o1 15659745 SIFBJTKWMNGXGL-PFONDFGASA-N 354.409 5.455 0 50 FKAA Cc1nn(Cc2ccccc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 20615568 VYPKDXVHRYTSGK-UHFFFAOYSA-N 357.335 5.067 0 50 FKAA Oc1ccc(/C(=C(/c2ccccc2)c2ccc(O)cc2)c2ccccc2)cc1 39234951 ZYIGFXHZSKIVOO-QPLCGJKRSA-N 364.444 6.105 0 50 FKAA Cc1nc([C@@H](C)Sc2ncccc2Cl)oc1-c1ccc(Cl)cc1 253431373 PTGBHBUIGKGVEH-LLVKDONJSA-N 365.285 6.205 0 50 FKAA Cc1ccc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)nc1C 1875303749 LPTOIOKPOFKZQG-UHFFFAOYSA-N 365.433 5.190 0 50 FKAA CC(C)c1ccc([C@@H]2CCCCN2Cc2cn3c(n2)CCCCC3)cc1 1875357729 USBDGFAOONSCRA-QFIPXVFZSA-N 351.538 5.460 0 50 FKAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1Cl 935596 HZYBKMYRZRKHGH-HNNXBMFYSA-N 351.833 5.413 0 50 FKAA CN(C)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 1063459 SWGNCPXJAUDVAU-UHFFFAOYSA-N 365.285 5.526 0 50 FKAA COc1ccc(-c2n[nH]c(C)c2Oc2ccc(-c3ccccc3)cc2)c(O)c1 1155690 XJXWICFZCZDAAN-UHFFFAOYSA-N 372.424 5.559 0 50 FKAA Cc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)c(Cl)c1 1156911 JNMYBPCUKWSTPQ-UHFFFAOYSA-N 352.659 5.280 0 50 FKAA Cc1ccccc1N1COc2ccc3cc(Br)ccc3c2C1 1174868 NYCFAUMCPIXSRR-UHFFFAOYSA-N 354.247 5.267 0 50 FKAA CC(=O)Nc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 1190917 NRXXNVCALZUAPF-UHFFFAOYSA-N 353.425 5.165 0 50 FKAA Cc1cc(Cl)cc(Br)c1OCCCCNC1CCCC1 2844473 LBXAKNHLRORUAN-UHFFFAOYSA-N 360.723 5.102 0 50 FKAA COc1ccc(/C=C2/c3ccccc3-c3nc4ccccc4cc32)cc1OC 12371170 OEAQYHJVKLPKFH-MOSHPQCFSA-N 365.432 5.821 0 50 FKAA Cc1c([C@@H](C)NCc2cccc(-c3ccco3)c2)cnn1-c1ccccc1 12571754 CLJCRPBTFTUPCP-QGZVFWFLSA-N 357.457 5.292 0 50 FKAA COCc1ccc(NC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 192579819 GXLUYZCQYBRUIU-OAQYLSRUSA-N 363.461 5.073 0 50 FKAA Cc1nc(NC(=O)c2ccc(-c3cnco3)cc2)cc(-c2ccccc2)c1C 1857734511 LATDLDUWCBNMJO-UHFFFAOYSA-N 369.424 5.273 0 50 FKAA O=C(COC(=O)c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 987278 YOCMQAWGNWNIOT-UHFFFAOYSA-N 359.208 5.186 0 50 FKAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 1121092 GOXHSAVAXNQCQR-UHFFFAOYSA-N 371.786 5.302 0 50 FKAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2ccccc2o1 1170086 LZLUHHHMIMNBNH-UHFFFAOYSA-N 363.800 6.131 0 50 FKAA COc1ccc(-c2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC 1181368 JWZJDUYKFWWWJM-UHFFFAOYSA-N 358.441 5.077 0 50 FKAA O=C(Nc1ccc(Cl)cc1)[C@@H](Sc1ccccc1)c1ccccc1 1217547 SQWISAIHRXFPIA-IBGZPJMESA-N 353.874 5.812 0 50 FKAA Cc1ccc(-c2csc(NC(=O)CCCOc3ccccc3C)n2)cc1 1772527 ZBVQJMXNRWAODE-UHFFFAOYSA-N 366.486 5.225 0 50 FKAA Cc1cc(N[C@H](C)c2ccccc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2363770 AOHWFRBETIPKOH-OAHLLOKOSA-N 362.864 5.531 0 50 FKAA O=C(NCc1cc2ccccc2[nH]1)/C(=C\c1ccccc1)c1ccccc1 2735464 GRGYBNJJAUXURA-JCMHNJIXSA-N 352.437 5.025 0 50 FKAA Cc1nn(C(=O)/C=C/c2ccccc2)c(C)c1Sc1ccc(Cl)cc1 4851452 AUWDFCOOMJALHU-MDWZMJQESA-N 368.889 5.658 0 50 FKAA O=C(C[C@@H](Nc1ccc2ccccc2c1)c1cccnc1)c1ccccc1 5395033 ZWLQDWJCEJLUGS-HSZRJFAPSA-N 352.437 5.661 0 50 FKAA CCc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 8583116 SBDVDOOSKMYOKF-UHFFFAOYSA-N 363.852 5.083 0 50 FKAA CCc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 19760812 ZHMWAIZTZKVAAF-UHFFFAOYSA-N 370.496 5.060 0 50 FKAA FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2onc(C3CC3)c12 20605792 WKXYKDMWAFUNRX-UHFFFAOYSA-N 373.161 6.093 0 50 FKAA COC(=O)c1ccccc1N[C@@H]1O[C@]2(C)CCCC(C)(C)[C@H]2CC1(C)C 43157545 PQVLDRKTOORATP-SFGWALBWSA-N 359.510 5.243 0 50 FKAA O=C(c1cccc(Cl)c1)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 253433431 WTQWQBWMOUJPEK-MRXNPFEDSA-N 372.902 5.455 0 50 FKAA Cc1nc([C@H](C)N(C)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)s1 827868262 FFMNMHZMOWAXRK-VIFPVBQESA-N 357.401 5.004 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)N3CCCCC3)cc(-c3ccccc3)nc12 993242 LVRYFDMYUYZLEF-UHFFFAOYSA-N 364.876 5.490 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cs1)C1=C(Cl)[C@@H]2C=CC=C[C@H]2S1 1213888 IZAQKOAALSBBIY-TZMCWYRMSA-N 372.902 5.057 0 50 FKAA Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1 4872585 SNCHYRMWAPJWIU-CCEZHUSRSA-N 352.437 5.173 0 50 FKAA COc1ccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1 20602777 YZFSKZMCQRJVKE-UHFFFAOYSA-N 369.346 5.173 0 50 FKAA Cc1ccc(CN2CCC(c3[nH]ncc3-c3ccc4ccccc4c3)CC2)o1 20661423 OLCHDJJQVYLYDN-UHFFFAOYSA-N 371.484 5.511 0 50 FKAA Cc1ccc(OC(=S)O[C@H]2CC[C@]3(C)CC(C)(C)[C@H]4CCC[C@]243)cc1 71786257 PDYHYIAFRIRZLX-GMQQQROESA-N 358.547 6.060 0 50 FKAA CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C)cc3)cc2)CC1 245189240 FOOZRIVWYIQQMM-MXVIHJGJSA-N 350.502 6.678 0 50 FKAA C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(CCc4ccccc4)[nH]3)c21 1875343457 JPCCHTDWVBLRSC-QGZVFWFLSA-N 372.512 5.837 0 50 FKAA O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccccc1 641487 SXSGVHJZJZZDDB-PMACEKPBSA-N 369.873 5.022 0 50 FKAA COc1ccc(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 992497 JLXDAAYQOQKUEQ-UHFFFAOYSA-N 360.453 5.283 0 50 FKAA O=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1c1ccc(F)cc1 1121352 OWRVXJOZDPMVEI-UHFFFAOYSA-N 367.763 5.072 0 50 FKAA Cc1cccc(OCCCC(=O)NC(c2ccccc2)c2ccccc2)c1 1773752 GGFCSKVZPLLILZ-UHFFFAOYSA-N 359.469 5.060 0 50 FKAA Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)c2ccccc2)n1 2877761 OUZDLXHLNPSHHJ-UHFFFAOYSA-N 354.862 5.080 0 50 FKAA CC(C)(C)c1ccc(-c2cc(=O)cc(-c3ccc(C(C)(C)C)cc3)o2)cc1 3132398 OZTFZBQEHNWMPH-UHFFFAOYSA-N 360.497 6.569 0 50 FKAA CC[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 13328956 LRKYQRZFHUIVPF-CQSZACIVSA-N 357.668 5.920 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 245235277 IUOVUHKJLLXHLL-HZPIBMMSSA-N 364.316 6.261 0 50 FKAA Cc1cccc(C)c1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1 631063 HSNNHBBPNGKMKN-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1Cl 935597 HZYBKMYRZRKHGH-OAHLLOKOSA-N 351.833 5.413 0 50 FKAA Cc1cc(C)nc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1 995134 AKYJXNOSAQPJEJ-UHFFFAOYSA-N 373.481 5.536 0 50 FKAA aggregator CCOc1ccc2nc(SCC(=O)c3ccc(C)cc3C)sc2c1 1024240 MWIOSUVDFPNKGC-UHFFFAOYSA-N 357.500 5.287 0 50 FKAA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2C(=O)Cc1ccccc1 1121972 YEYRERAZCDWFIX-KNQAVFIVSA-N 355.481 5.495 0 50 FKAA CSc1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 1148469 WYUVXJAJYMHNKI-UHFFFAOYSA-N 358.850 5.278 0 50 FKAA CSc1cccc(NC(=O)OCCOc2cc(C)c(Cl)c(C)c2)c1 2173798 CFETUDZQCMFENV-UHFFFAOYSA-N 365.882 5.306 0 50 FKAA Cc1c(C)c2cc(Cl)c(OCc3cccc4ccccc34)cc2oc1=O 2811614 QCQMSPSEHXKXAY-UHFFFAOYSA-N 364.828 5.795 0 50 FKAA CC(C)(C)c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 2872983 BBXWCQFLUCPMBP-UHFFFAOYSA-N 357.497 5.432 0 50 FKAA Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 4276605 ASYAFSDSZYHOAL-IFMALSPDSA-N 360.844 5.582 0 50 FKAA Cc1ccc(C)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 12488907 BRFNPBLHPREYPR-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA CC(C)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 25868985 MSWDUZLRIJNMEH-MJGOQNOKSA-N 361.272 5.519 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@]2(C)C(C)=O)C1 43757491 PRTAHSZPJNARHZ-HOASPINLSA-N 372.549 5.476 0 50 FKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Br)cnc21 198020261 AIJAFOFKGPWSSO-UHFFFAOYSA-N 371.370 5.962 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)Oc1ccc(Cl)c(Cl)c1 640886 LXFIDBGIFMVISV-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA CC(C)c1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 647936 BRFPXKRHTGHWIV-ZDUSSCGKSA-N 369.848 5.061 0 50 FKAA O=C(CCCc1c[nH]c2ccccc12)OCc1ccc(C(F)(F)F)cc1 1395340 QCCJJDOIYYDAIZ-UHFFFAOYSA-N 361.363 5.253 0 50 FKAA CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 2025813 ZGUPMYIVWGRQPJ-UHFFFAOYSA-N 366.486 5.550 0 50 FKAA CCOc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2c1 2841176 SWSLZGPSWCXVCF-UHFFFAOYSA-N 368.282 5.142 0 50 FKAA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 3202183 BNEJCRXPBIKRMK-DEOSSOPVSA-N 369.508 5.865 0 50 FKAA CCCC1CCC(c2ccc(C(=O)Nc3ccc(OC)cc3)cc2)CC1 4256034 CICHQGNOTYCKFB-UHFFFAOYSA-N 351.490 6.021 0 50 FKAA CC[C@H](NC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1 13330214 BNULJRGZIGFQED-HNNXBMFYSA-N 367.674 5.375 0 50 FKAA Fc1ccc(C2=CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1 23280248 RZKQRGXINCXEQB-UHFFFAOYSA-N 373.471 5.694 0 50 FKAA Cc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 39959757 YJRNBWPZWTVCHX-IBGZPJMESA-N 352.890 6.066 0 50 FKAA COc1cccc(-c2csc(-c3c(C)ncc4c3[C@H](C)CCC4)n2)c1 72447050 NNRGRHUGDYNLHL-CYBMUJFWSA-N 350.487 5.629 0 50 FKAA O=C1CC[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccccc1 334163570 XMACRNIJCBXPGH-JOCHJYFZSA-N 366.464 5.699 0 50 FKAA COc1ccc(-c2noc(-c3c(-c4ccccc4Cl)noc3C)n2)cc1 1128986 LGRIZDGIFNSKEI-UHFFFAOYSA-N 367.792 5.029 0 50 FKAA O=C(Nc1cccnc1)c1cc(-c2ccccc2Cl)nc2ccccc12 1218661 NUYKDGPUWLLAJX-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)OC1CCCCCCCCCCC1 1753763 ZMSAVKDDVHVZQU-UHFFFAOYSA-N 372.336 7.215 0 50 FKAA CCn1c(SCc2ccccc2Cl)nc2sc(C)c(C)c2c1=O 2448023 IYHCEMQLUMWSCS-UHFFFAOYSA-N 364.923 5.040 0 50 FKAA CCC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 13616384 LSHZPAUPRUOGLC-MJGOQNOKSA-N 371.278 5.119 0 50 FKAA Cc1cccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2C[C@H]2c2ccccc2)c1 1875318881 YBKYIXSMLKWUEA-YTFSRNRJSA-N 356.469 5.662 0 50 FKAA Cc1ccc(S(=O)(=O)c2ccc3c(c2)Sc2ccccc2N3)cc1 754591 VOAGZTMJHOONLR-UHFFFAOYSA-N 353.468 5.036 0 50 FKAA O=C(O)c1cc(-c2cccc(Br)c2)nc2c(Cl)cccc12 2526025 SMECLDDYEFWFFC-UHFFFAOYSA-N 362.610 5.016 0 50 FKAA Cn1c2ccc(CC(F)(F)F)cc2c2cc(C(=O)C(F)(F)F)ccc21 2875005 VLYRLGOWJMFPBC-UHFFFAOYSA-N 359.269 5.181 0 50 FKAA CC(=O)c1ccccc1OCCCCN1CCC(Cc2ccccc2)CC1 4832261 YKDNYHWOUMXJDV-UHFFFAOYSA-N 365.517 5.003 0 50 FKAA CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(Cl)cc3C)c2c1 5644750 NEWBGVIDTGGCKN-UHFFFAOYSA-N 354.837 5.425 0 50 FKAA CC[C@@H](C)c1ccc(NC(=O)Nc2ccc(CN3CCCC3)cc2)cc1 13325262 CNXNGQOYFKSHGI-QGZVFWFLSA-N 351.494 5.440 0 50 FKAA COc1ccc(C)cc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13329887 YUSXJNJHHRSUDH-NSHDSACASA-N 353.249 5.193 0 50 FKAA Fc1cccc(-c2ccc(Nc3cccc(OC(F)(F)F)c3)nc2)c1F 2356137028 OUEURMVIUDPTRK-UHFFFAOYSA-N 366.289 5.669 0 50 FKAA Clc1ccc(Sc2c(-c3ccccc3)n[nH]c2-c2ccccc2)cc1 1893994 MPHGRUXPYOTUSO-UHFFFAOYSA-N 362.885 6.548 0 50 FKAA CCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(C)cc12 2079511 SJTJGUYPIDUIKA-UHFFFAOYSA-N 353.849 5.821 0 50 FKAA O=C(NCCSCc1ccc(Cl)cc1Cl)Nc1ccccc1 2988851 GARQHVLZMAHTLD-UHFFFAOYSA-N 355.290 5.048 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 4683868 GFHOQCXDABGYAL-POBGKJHXSA-N 360.538 5.166 0 50 FKAA biogenic,in-vitro O=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 4798582 IWTBESTVUWMZEH-UHFFFAOYSA-N 364.444 5.836 0 50 FKAA O=C(Nc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 9065520 NQPXBEJZNJXMEP-UHFFFAOYSA-N 374.263 5.217 0 50 FKAA O=C(CSC1=NC2(CCCCC2)NC2=C1CCCC2)c1ccccc1 16667228 TUQLAYHRDMYOSO-UHFFFAOYSA-N 354.519 5.093 0 50 FKAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3ccccc3)C[C@H]12 20607791 XBBFULYUUHIPON-MSVPHXOTSA-N 374.524 5.606 0 50 FKAA CC(C)(C)[Si](C)(C)n1ccc2cc(-c3cccc(C(=O)O)c3)ccc21 169746457 HDBCXDRSFKQAAL-UHFFFAOYSA-N 351.522 5.860 0 50 FKAA in-vitro O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCc1ccccc1 243277294 KYMANUAJYKCFOQ-UHFFFAOYSA-N 363.257 5.473 0 50 FKAA C[C@@H](Oc1ccccc1Cc1ccccc1)c1nc(-c2cccc(O)c2)no1 1875343840 WENVPIVSUXTWPD-MRXNPFEDSA-N 372.424 5.173 0 50 FKAA CCCc1sc(NC(=O)c2ccccc2C)nc1-c1cc(C)ccc1C 1186803 ZRPNHZPUXSLRCJ-UHFFFAOYSA-N 364.514 5.940 0 50 FKAA O=C(Nc1nnc(-c2ccccc2)s1)Nc1ccc(Cl)cc1Cl 1300923 KATYUCFZFKKOCY-UHFFFAOYSA-N 365.245 5.156 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)c3cccc(OC)c3OC)ccc21 2061829 OTSSYHNUHICULA-UHFFFAOYSA-N 374.440 5.084 0 50 FKAA aggregator c1ccc(CN2CCC(NCC(c3ccccc3)c3ccccc3)CC2)cc1 4022961 GDUQSIBJSPBLPG-UHFFFAOYSA-N 370.540 5.073 0 50 FKAA COc1ccccc1/C=C/C(=O)Nc1ccc(Cl)cc1C(F)(F)F 6519385 HFPJYQSHZHCQNC-RMKNXTFCSA-N 355.743 5.019 0 50 FKAA Cc1noc(-c2ccccc2)c1NC(=O)N1CCCCC[C@@H]1c1ccco1 155148491 FLIRXBZXDVVQED-QGZVFWFLSA-N 365.433 5.392 0 50 FKAA CCNc1nc(C)c(C(=O)N(C)[C@H](CCC(C)C)c2ccccc2)s1 952990860 XOHZWCVQCAAHCP-QGZVFWFLSA-N 359.539 5.133 0 50 FKAA O=C(Nc1ccccc1Br)c1csc(C2CCCCC2)c1 2325839819 GGGXBIUUMSOCGC-UHFFFAOYSA-N 364.308 5.811 0 50 FKAA CC(C)c1ccc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 647935 BRFPXKRHTGHWIV-CYBMUJFWSA-N 369.848 5.061 0 50 FKAA Cc1cc(C)c(NC(=O)CN(C2CCCCC2)C2CCCCC2)c(C)c1 754192 KFNZMNUGOVTKGW-UHFFFAOYSA-N 356.554 5.518 0 50 FKAA COc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 989558 KWLLULPUAMXAOA-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1C 1204200 BZDLUSVBRRRAQS-UHFFFAOYSA-N 356.425 5.672 0 50 FKAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 1243621 KLDLUBLITMTYDF-HNNXBMFYSA-N 372.881 5.377 0 50 FKAA O=C(C[C@H](Nc1ccc2ccccc2c1)c1ccccc1)c1ccccc1 2026044 HVZVGAJEGBRVST-DEOSSOPVSA-N 351.449 6.266 0 50 FKAA Clc1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1 4011648 FHUNKRCVTFCHMR-UDFXALJUSA-N 358.872 6.361 0 50 FKAA Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)cc1Cl 4017771 HAMMMYLPNBZEBQ-UHFFFAOYSA-N 373.077 5.625 0 50 FKAA COc1ccccc1CN1CCCn2c3c(c4cc(C)ccc42)CCC[C@H]31 5032362 YAUIRFZQVLKFDP-JOCHJYFZSA-N 360.501 5.242 0 50 FKAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](C)CCCC(C)C)c12 13641975 CZXUYUZJIWWKHS-CYBMUJFWSA-N 371.506 5.204 0 50 FKAA O=C(/C=C\c1ccccc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 22108298 IBSLBRMCKJXOEE-XFXZXTDPSA-N 374.827 5.800 0 50 FKAA Brc1ccc2c(c1)C(c1ccccc1)=Nc1ccccc1O2 847229 VFMNHYUVMFIPKR-UHFFFAOYSA-N 350.215 5.724 0 50 FKAA COc1ccc(Cl)cc1Nc1ncnc2sc3c(c12)CC[C@H](C)C3 951924 FNJINZZIKNSPCG-JTQLQIEISA-N 359.882 5.222 0 50 FKAA COc1ccc2c(c1)NC(C)(C)c1sn(-c3ccccc3C)c(=S)c1-2 985230 DZAQNIRRMCEDNY-UHFFFAOYSA-N 368.527 5.913 0 50 FKAA O=C(Nc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1 1140971 QABZOOVRZUCMQH-UHFFFAOYSA-N 353.874 5.885 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)oc2c1 1202603 AYIDOCNPXVMLTL-UHFFFAOYSA-N 368.392 5.802 0 50 FKAA Cn1nc(-c2ccccc2)c(CO)c1Sc1c(Cl)cccc1Cl 1388795 NOWWLOKUBAFHDO-UHFFFAOYSA-N 365.285 5.037 0 50 FKAA COc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2C)cc1 1791366 IYVJWZYVGLBDCI-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA Cc1ccc(COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)cc1 1806911 YQDYWABNZYIEAC-UHFFFAOYSA-N 372.420 5.781 0 50 FKAA COc1cc2c(cc1NC(=O)[C@@]1(C)CC1(Cl)Cl)oc1ccccc12 2873211 IMEPLWOWPFSZGR-QGZVFWFLSA-N 364.228 5.117 0 50 FKAA CCOc1cccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)c1 5094766 JGARDACQNUNUOX-UHFFFAOYSA-N 374.484 5.317 0 50 FKAA O=c1[nH]c(SCc2c(Cl)ccc(Cl)c2Cl)nc2ccccc12 9331640 WNVNKUXYOCVHAQ-UHFFFAOYSA-N 371.676 5.176 0 50 FKAA Cc1cc(C(=O)N[C@H](C)CCCC(C)C)c2c(-c3ccccc3)noc2n1 13641550 DFUNEXMVUKXSMY-OAHLLOKOSA-N 365.477 5.143 0 50 FKAA COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)c(OC)c1 15867110 DRZFEHUPKIIMOQ-KRWDZBQOSA-N 374.506 5.223 0 50 FKAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](Cc1ccccc1)[Si](C)(C)C 169831390 RCIROEBZPDEGDF-GFOJFJKKSA-N 360.614 5.942 0 50 FKAA CC(C)CN[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 263621520 NIUIUSQEYIIYEC-AGFSROSKSA-N 351.471 5.228 0 50 FKAA c1ccc([C@H]2c3ccccc3CCN2Cc2csc(-c3ccco3)n2)cc1 2325830004 XMSGYYBICSOSSF-QFIPXVFZSA-N 372.493 5.551 0 50 FKAA CC(C)C1CCC([C@](C)(O)CNC[C@]2(C)CCCc3ccccc32)CC1 2325842167 QAGKNAVSUUJVJE-QECZMNFNSA-N 357.582 5.084 0 50 FKAA O=C(Nc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21 1015689 CAFPAFCCPPPJNJ-UHFFFAOYSA-N 368.461 6.675 0 50 FKAA CN(C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 1131408 YEBPSJDMXKXFGG-UHFFFAOYSA-N 365.816 5.206 0 50 FKAA O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 1155033 QMLCVPZKYZRUCL-JLHYYAGUSA-N 374.827 5.800 0 50 FKAA CCOc1ccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)cc1 2058095 NMHUSJNGMBUZRQ-UHFFFAOYSA-N 368.527 5.995 0 50 FKAA Fc1ccc([C@@H]2CC(c3cccs3)=NN2c2cccc(Cl)c2)cc1 4611241 OMUSXSAJOGECHI-SFHVURJKSA-N 356.853 5.896 0 50 FKAA Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H](C)CCC2=O)cc1 4653885 SMCCYOSSZVQHCK-HBGVWJBISA-N 368.904 6.010 0 50 FKAA Cc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3cccs3)C2)cc1 5059140 RFLZMNZIBXPULZ-IBGZPJMESA-N 352.890 6.066 0 50 FKAA CC(C)(C)c1ccccc1OCCOCCOc1cccc2cccnc12 6357575 KHVBGUWCHBYYAI-UHFFFAOYSA-N 365.473 5.007 0 50 FKAA Cc1ccc(NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)c(C)c1 6964772 WLIBFHGENCCHQT-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA CC[C@H](NC(=O)c1oc2ccccc2c1C)C12CC3CC(CC(C3)C1)C2 8196808 CFSUMXBCWYRTGN-SXYIGIQMSA-N 351.490 5.466 0 50 FKAA CC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(-c2nc(C)c(C)s2)c1 299800846 VZRYDRPJLKWGGG-IBGZPJMESA-N 365.502 5.045 0 50 FKAA Brc1ccc(Br)c(Cn2ccc3ccccc32)c1 1857784224 UCCMTMJORJNEDI-UHFFFAOYSA-N 365.068 5.215 0 50 FKAA CC(C)c1ccc(-n2nc(C3CCC3)nc2[C@H]2OCC[C@H]2C(C)C)cc1 1875349076 LVHXPQGUYGSPQG-PMACEKPBSA-N 353.510 5.392 0 50 FKAA CC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 680902 WVZQGEOPLNDKNL-UHFFFAOYSA-N 374.223 5.708 0 50 FKAA O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(Br)cc1 1131205 BOCFGRHJGOHROM-UHFFFAOYSA-N 373.294 5.082 0 50 FKAA Cc1cc(=O)oc2cc(OCc3c(F)cccc3Cl)c(Cl)cc12 1181962 UVYXXURFIXSYED-UHFFFAOYSA-N 353.176 5.126 0 50 FKAA CCOc1ccccc1NC(=O)Nc1ccc(Br)c(Cl)c1 2858899 JGWHSSCIKXHIST-UHFFFAOYSA-N 369.646 5.145 0 50 FKAA Cc1c2c(n(C)c1-c1ccccc1)[C@H](c1ccccc1)Oc1ccccc1-2 4006488 ROBDPXNJRSPUDJ-VWLOTQADSA-N 351.449 6.149 0 50 FKAA COc1cc(-c2nc3ccccc3s2)ccc1OCc1cccc(F)c1 4826737 TXAPNNUQUVYNEL-UHFFFAOYSA-N 365.429 5.690 0 50 FKAA COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1OC(C)C 4913825 VRBYHWFDTVRBOV-IBGZPJMESA-N 361.441 5.110 0 50 FKAA Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1C 8611092 VSPHQEROIJCECZ-UHFFFAOYSA-N 361.470 5.240 0 50 FKAA Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C/C=C/c2ccco2)c1 19730662 DLFRWFTYNLMROK-LHLOKTHNSA-N 370.452 5.127 0 50 FKAA Cc1ccc2[nH]c(C(=O)N3CCCCC[C@H]3c3cccc(F)c3)c(C)c2c1 91636864 CNOBFOXYCDYJQA-NRFANRHFSA-N 364.464 5.681 0 50 FKAA C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl 169950621 RNTHWGPBLLUVLZ-NOZJJQNGSA-N 358.700 5.109 0 50 FKAA O=C(/C=C/c1ccco1)Nc1cccc(-c2csc(-c3ccncc3)n2)c1 170510884 QXIFQRHTMAUTFH-VOTSOKGWSA-N 373.437 5.117 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@]12C 257356009 FEGCPHIPSRBREU-XBPFTBONSA-N 374.565 5.283 0 50 FKAA Cc1cc2nc(S[C@@H](C(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C 632968 NONFGTMIWLCFTA-JOCHJYFZSA-N 372.493 5.896 0 50 FKAA Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)cc1 1076892 INCPFRRZYKZHMP-UHFFFAOYSA-N 371.889 5.044 0 50 FKAA Cc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1128038 ZOZRBMSIMSJTTE-UHFFFAOYSA-N 371.889 5.044 0 50 FKAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)ccc1Cl 1141301 IRDQUKHSJRROEK-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA COc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 1166324 INVVOWTUSHAQPQ-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl 1397613 LEWDUCQFSSUPFM-LBPRGKRZSA-N 371.647 5.176 0 50 FKAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(C)cc1Br 2853026 UKNFJLOQFBZVDW-UHFFFAOYSA-N 369.646 5.064 0 50 FKAA CCCc1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 5564120 ONLLAEZBWONQTC-UHFFFAOYSA-N 364.319 5.262 0 50 FKAA biogenic O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 8770140 ULQNWIWUWUKZIE-UHFFFAOYSA-N 365.245 5.156 0 50 FKAA CCCCCc1cc2c(c(O)c1C(=O)O)C=C[C@@](C)(CCC=C(C)C)O2 13382956 HRHJHXJQMNWQTF-JOCHJYFZSA-N 358.478 5.734 0 50 FKAA biogenic,in-vitro Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccco3)=NN21 13809704 CDJDMSWCJSDGBN-FXAWDEMLSA-N 350.805 5.175 0 50 FKAA CC(C)c1cc(N[C@@H](C)c2ccccc2)n2ncc(-c3ccccc3)c2n1 27585309 ALQSVGWDKSIWEM-KRWDZBQOSA-N 356.473 5.693 0 50 FKAA COc1ccc(CN2CCCC2)cc1Oc1ccc(C(F)(F)F)cc1 67896245 VPFHEFHWTBRSAC-UHFFFAOYSA-N 351.368 5.102 0 50 FKAA CC[C@H](C)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 728430 POPXORMCWWXAHA-ZDUSSCGKSA-N 368.864 6.069 0 50 FKAA CC(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1 2065565 LSMDFFPGAQUENB-UHFFFAOYSA-N 371.786 5.646 0 50 FKAA CCCCSc1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3 2222489 XAJBONKHGSHFJT-QGZVFWFLSA-N 368.593 5.547 0 50 FKAA Cc1cccc(OC[C@@H](C)NCCC(c2ccccc2)c2ccccc2)c1 4072756 IZXAGWMCNUNXNS-OAQYLSRUSA-N 359.513 5.574 0 50 FKAA O=C(Nc1ccc(F)cc1)Nc1nnc(/C=C/c2ccccc2Cl)s1 4616870 PTESUKUHKFJUNL-BJMVGYQFSA-N 374.828 5.145 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1cccs1)O2 5716159 IDEPVBNFQUXYFC-RDTXWAMCSA-N 356.834 5.237 0 50 FKAA c1ccc(C(c2ccccc2)(c2ccccc2)c2c[nH]c3ccccc23)cc1 6222821 REGAHGRRCZCIDN-UHFFFAOYSA-N 359.472 6.551 0 50 FKAA Cc1ccc([C@@H]2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C 34596880 CYHYIIFODCKQNP-FQEVSTJZSA-N 350.502 5.949 0 50 FKAA in-vitro COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@]12C 39944696 OZFUSVFBHIPUTK-XGMMTWQKSA-N 370.577 6.177 0 50 FKAA Cc1c(Cl)nc(-c2cccnc2)nc1/C=C/c1ccc(O)c(Cl)c1 170618844 DFLQTGASHXIBOC-GQCTYLIASA-N 358.228 5.030 0 50 FKAA CC1(C)c2ccccc2N(c2ccc(Br)cc2)c2ccccc21 222786269 YKFRPCRADQOKOA-UHFFFAOYSA-N 364.286 6.558 0 50 FKAA C[C@@H](Sc1nc2c(F)cccc2n1C)c1cccc(C(F)(F)F)c1 1875326445 BUBPFGTWTAVWGI-SNVBAGLBSA-N 354.372 5.585 0 50 FKAA c1ccc(Cn2cc(CN[C@H]3CCCc4ccccc43)c3ccccc32)cc1 2325719613 QGGVYSVGJAVVPT-VWLOTQADSA-N 366.508 5.857 0 50 FKAA c1ccc(C(c2ccccc2)N2CC[C@H](n3ncc4ccccc43)C2)cc1 2325839447 ULNADSBFCDTYRN-QFIPXVFZSA-N 353.469 5.073 0 50 FKAA COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c1 828052 GGBBTFKQPKUKKM-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA O=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)Cc1cccs1 915961 JKEFAFNHHRVWMR-UHFFFAOYSA-N 362.907 5.697 0 50 FKAA aggregator Cc1cccc(C(=O)N[C@H](Sc2ccccc2)C(Cl)(Cl)Cl)c1 1480444 ZCBNXXDTCFCSGI-OAHLLOKOSA-N 374.720 5.213 0 50 FKAA CN1c2ccccc2-c2ccccc2[C@]12C=Cc1c(ccc3ccccc13)O2 2030598 ZWYHZMUICJKGRE-AREMUKBSSA-N 361.444 6.215 0 50 FKAA Oc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCC2)cc1 34751570 BHWMWBACMSEDTE-UHFFFAOYSA-N 352.518 6.689 0 50 FKAA in-vitro CC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 101637119 KIXGFZRPUASEFM-RSYZFUPGSA-N 371.524 5.462 0 50 FKAA FC(F)(F)c1cnc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)s1 477750323 XRYFHSWNSYUJHU-LLVKDONJSA-N 372.803 5.033 0 50 FKAA CC(C)c1cccc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)c1 1875268857 RYEWBASFKDJLRX-UHFFFAOYSA-N 370.496 5.625 0 50 FKAA Cc1cc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)ccc1Cl 1875302459 RAJNQECNNCNWTM-UHFFFAOYSA-N 365.665 5.031 0 50 FKAA CC[C@@H](C)n1nc(-c2cc3ccccc3cn2)nc1-c1ccccc1OC 1875348944 HVLQZDWCLBTEJP-OAHLLOKOSA-N 358.445 5.140 0 50 FKAA Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4C)c3)nc2c1 677438 XKPXYNGIIPHFLC-UHFFFAOYSA-N 356.425 5.672 0 50 FKAA CC(C)c1ccc(OC[C@@H](C)N[S@@](=O)c2ccc3ccccc3c2)cc1 955204 CNSKUMVSTFPOLQ-WGDIFIGCSA-N 367.514 5.043 0 50 FKAA Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2)ccc1Br 1069063 WGXYUAJAAJPKMU-CYBMUJFWSA-N 364.308 5.018 0 50 FKAA O=c1c(-c2ccccc2)coc2cc(OCc3ccc(Cl)cc3)ccc12 1778864 ASDQYBRCUSSFIJ-UHFFFAOYSA-N 362.812 5.692 0 50 FKAA biogenic CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 2050769 HIVQWMYZTCWSRV-UHFFFAOYSA-N 372.424 5.536 0 50 FKAA CC[C@H](C)c1ccc([C@H](C)NC(=S)Nc2ccc(OC)cc2OC)cc1 2851327 FDXFEGHCNCVLRI-GJZGRUSLSA-N 372.534 5.265 0 50 FKAA Brc1cc2ccc1CCc1ccc(c(Br)c1)CC2 3122312 QDMAXRJHDMKTQH-UHFFFAOYSA-N 366.096 5.095 0 50 FKAA O=C(O)c1ccccc1C(=O)O[C@H]1CCCCCc2ccc(cc2)CCC1 4795375 KBSZIXZWJZXZRZ-IBGZPJMESA-N 366.457 5.050 0 50 FKAA C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 13616309 DNSNAOJLRSTWPF-FYYLOGMGSA-N 374.871 5.756 0 50 FKAA C[C@H](O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 86032894 OMWLYFDUQMJPOS-SFHVURJKSA-N 371.480 5.577 0 50 FKAA in-vitro C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]21C 257349854 RVGVSOKFBAOUCH-RQACHERGSA-N 374.565 5.715 0 50 FKAA Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NCC(C)C 670416 SLKKAWVVXQVEKZ-UHFFFAOYSA-N 352.865 5.249 0 50 FKAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccccc4)cc3n2)cc1 1168359 WEJJZUWWJIASLH-UHFFFAOYSA-N 353.347 5.391 0 50 FKAA Fc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1Cl 1465741 ODATZNMZZONMEW-UHFFFAOYSA-N 355.825 5.894 0 50 FKAA Cc1cc(C)c2nc(-c3ccc(Br)s3)cc(C(=O)O)c2c1 4652223 FFVLNESUXFFELA-UHFFFAOYSA-N 362.248 5.041 0 50 FKAA CCCC[C@@H](CC)COC(=O)CCCC(=O)OC[C@H](CC)CCCC 5514718 ABXLQQAKBRIHIT-RTBURBONSA-N 356.547 5.676 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 245235135 IBBHEQXRACLNGJ-IBKUQWBNSA-N 364.316 6.261 0 50 FKAA CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(N(C)c3ccccc3)cc1)C2 1704298929 OREVDLSYDJSFOH-DNQXCXABSA-N 364.533 5.236 0 50 FKAA Cc1ccc(C(=O)Oc2cc(C)cc(OC(=O)c3ccc(C)cc3)c2)cc1 853073 WBGSVIQPKHPTKX-UHFFFAOYSA-N 360.409 5.050 0 50 FKAA biogenic CCO[P@](=O)(c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1 1177376 ZLEKMJBLJQAMHS-SQJMNOBHSA-N 351.386 5.437 0 50 FKAA O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 2985501 RGWOUJIARADQQC-UHFFFAOYSA-N 374.720 5.310 0 50 FKAA Cc1ccc(Oc2c(F)c(F)c(-c3ccc(C)c(C)c3)c(F)c2F)cc1C 3130849 SKRMWRQDLPJLHW-UHFFFAOYSA-N 374.377 6.936 0 50 FKAA CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=O)c1ccc(N)cc1 5193426 WNGHEVVSGPPVMV-PMACEKPBSA-N 360.586 6.144 0 50 FKAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc(Cl)c3)c2C)c1 13331478 JITJCMCZVMQOMW-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA Cc1ccc(OC(=S)O[C@H]2CC[C@]3(C)CC(C)(C)[C@H]4CCC(=O)[C@]243)cc1 71786166 QXYZYMINPOJJFH-JSOTWZDUSA-N 372.530 5.239 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 253497611 XIIAYQZJNBULGD-ITPLWYTJSA-N 372.681 8.498 0 50 FKAA biogenic CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CCC[C@@]4(C)[C@H]3CC[C@]21C 257350208 VOYKELMCSUDIBK-PYLBIQLLSA-N 368.649 8.050 0 50 FKAA Cc1ccc(C)c(-c2nn(CC3CCC(C)CC3)c(=O)c3ccccc23)c1 1875357600 NCXDJBRTYBJLIZ-UHFFFAOYSA-N 360.501 5.507 0 50 FKAA CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 839044 UYSGFVWUPRKIGY-UHFFFAOYSA-N 351.368 5.020 0 50 FKAA Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(F)cc3C)c2c1 1068285 PQJCIKMJIGQGRW-UHFFFAOYSA-N 371.415 5.305 0 50 FKAA COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1-c1ccccc1 1132755 BQQOVEKVHVWQQR-UHFFFAOYSA-N 351.833 5.576 0 50 FKAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccs1 1207863 DVISYQWURJTMDI-UHFFFAOYSA-N 370.886 5.931 0 50 FKAA CCN(C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1 1547575 MYKJVLTXPNIGOV-KTKRTIGZSA-N 359.985 7.056 0 50 FKAA investigational Cc1ccc2nc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)sc2c1 1910468 HZTUCZNOBVMQKR-XDJHFCHBSA-N 370.477 5.784 0 50 FKAA O=C(Nc1ccc(Cl)cc1F)[C@H](Sc1ccccc1)c1ccccc1 2086639 MSTWFYXLAINMPN-LJQANCHMSA-N 371.864 5.951 0 50 FKAA CCc1nc(SCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2300769 JHQIZXSNKGTQJA-UHFFFAOYSA-N 370.543 5.397 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1C 2811052 FBLGAHFULOADDD-UHFFFAOYSA-N 358.466 5.832 0 50 FKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 2851419 MXHIFWHSJOAYEK-SNVBAGLBSA-N 359.800 5.478 0 50 FKAA Cc1ccc([C@@](O)(c2ccccc2)c2nc3ccccc3n2C(C)C)cc1 4150185 QJRHYPDTNKUFET-DEOSSOPVSA-N 356.469 5.210 0 50 FKAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2C)C1 5916791 BNTPJLCBRDZHIL-CQSZACIVSA-N 356.535 5.432 0 50 FKAA Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504032 ANMYJSNMBSBREG-REFWVTMDSA-N 358.872 5.575 0 50 FKAA c1ccc(-c2ccccc2PC2CCC(C3CCCCC3)CC2)cc1 98044488 RKAFSDCHLHHJHI-UHFFFAOYSA-N 350.486 6.797 0 50 FKAA CCCC[C@@H](CC)Cn1c2ccccc2c2cc(Br)ccc21 139961846 NWUMJBPNVXDEDB-OAHLLOKOSA-N 358.323 6.773 0 50 FKAA COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 253609844 YHTRVWPOAJKWBV-XGMMTWQKSA-N 374.609 6.625 0 50 FKAA FC(F)(F)c1cnc(-c2nccc(Sc3cccs3)n2)c(Cl)c1 261494988 AJIFMUPAHSVHES-UHFFFAOYSA-N 373.812 5.424 0 50 FKAA COc1cccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)cnn23)c1 2324015 ORZLETOHEZDWAL-UHFFFAOYSA-N 364.836 5.110 0 50 FKAA Cc1oc(-c2ccccc2Cl)nc1CN1CCCC[C@H]1c1cccnc1 11820989 HYVOSKQELFOCRS-FQEVSTJZSA-N 367.880 5.426 0 50 FKAA O=C(CCCc1ccc(Cl)cc1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 225766084 FAKNUHIUQYASSL-INIZCTEOSA-N 373.846 5.244 0 50 FKAA CC(C)(C(=O)N1CC[C@H]2CCCCC[C@@H]2C1)c1ccc(F)c(Cl)c1 2325825363 NLGMCDVAAHMNOM-HUUCEWRRSA-N 351.893 5.186 0 50 FKAA Cc1ccccc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 753068 STUFPRPCDUMZNI-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA O=C(Cc1cccc2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl 940334 MJITUJMLSDRUEK-UHFFFAOYSA-N 364.659 5.981 0 50 FKAA CCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 1207470 JKHKRZMPPKOAPZ-UHFFFAOYSA-N 371.440 5.189 0 50 FKAA Cc1cc(C)c(C(=O)c2ccc(-c3nc4ccccc4s3)cc2)c(C)c1 2860124 ADTIQCDNCBHEOL-UHFFFAOYSA-N 357.478 6.120 0 50 FKAA O=C(Nc1ccc(C(F)(F)F)cc1)c1sc2ccccc2c1Cl 3017045 BUDNTDDFYRJWII-UHFFFAOYSA-N 355.768 5.826 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3ncccc3C)c3ccccc3n2)cc1 4881662 AKPDEPOBJNDDJG-UHFFFAOYSA-N 367.452 5.420 0 50 FKAA Cc1[nH]c2ccccc2c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1 4982009 VXFUWGDSMAMKNH-UHFFFAOYSA-N 360.460 6.872 0 50 FKAA O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc12 198752663 QNFNYMRGWNERMC-UHFFFAOYSA-N 361.828 5.683 0 50 FKAA CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCC)cc3)cc2)CC1 245189227 COTNZLSNYGTOSH-WGSAOQKQSA-N 366.501 6.378 0 50 FKAA CCCC[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CCC 245296749 POFXFTVXJUYYRI-VKZFYUIYSA-N 365.561 6.046 0 50 FKAA O=C1C[C@H](c2ccsc2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263586449 UORYPMXUJGNOGN-QGZVFWFLSA-N 358.466 5.225 0 50 FKAA biogenic CC(=O)Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1 822242 NSZNQBMPRUZNOQ-UHFFFAOYSA-N 368.440 5.241 0 50 FKAA O=C1C[C@@H](c2ccc(F)c(Br)c2)c2ccc3ccccc3c2N1 1082721 KLTSOZMFEYXEEJ-HNNXBMFYSA-N 370.221 5.216 0 50 FKAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 2774337 FTWPDGNHEBXMGS-HNNXBMFYSA-N 367.832 5.538 0 50 FKAA Cc1cc(Br)c(C(C)C)cc1OC(=O)c1ccccc1F 4072847 SYZDETXIKFIMDE-UHFFFAOYSA-N 351.215 5.239 0 50 FKAA Cc1cc2occ(CC(=O)Nc3ccccc3C(F)(F)F)c2cc1Cl 4867161 CFBLNMHMGYLPLR-UHFFFAOYSA-N 367.754 5.595 0 50 FKAA Cc1ccc2oc(C(=O)N(Cc3cccs3)c3ccccn3)c(C)c2c1 28251718 HZTXZEOGGHXCIC-UHFFFAOYSA-N 362.454 5.353 0 50 FKAA CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)(C)C(=O)[C@]3(Sc3ccccc3)C[C@@H]12 71786663 ABTGMILHMPVPSG-UYIBTEFRSA-N 356.575 6.225 0 50 FKAA ClC1=C(Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 100660921 YFKSIMKOFQPMQX-RITPCOANSA-N 367.701 5.521 0 50 FKAA CO[C@@H]1CCC[C@]12CCCN(c1cc(C)c3cc(SC)ccc3n1)C2 1704354314 BDLOQFJHDHWKJZ-TZIWHRDSSA-N 356.535 5.051 0 50 FKAA Cc1cc(=O)oc2c(C)c3oc(C(=O)c4ccc(Cl)cc4)c(C)c3cc12 709325 AMRYJSZMTZFSBP-UHFFFAOYSA-N 366.800 5.349 0 50 FKAA Cc1cc2c(cc1C)-c1c(sn(-c3cccc(F)c3)c1=S)C(C)(C)N2 2230139 ZCBYOXZQCGMHKD-UHFFFAOYSA-N 370.518 6.352 0 50 FKAA Cc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(C)cc3)c2C)cc1 2733504 AWQZCYRBBAJAEO-UHFFFAOYSA-N 356.444 6.271 0 50 FKAA Cc1ccsc1-c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 2844489 RZYXUOVCKJNUMP-UHFFFAOYSA-N 357.504 5.125 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 2866442 LJPIIMXMHWIFJQ-GOSISDBHSA-N 361.510 5.778 0 50 FKAA CCCCc1cc(=O)oc2cc(OC(=O)c3ccccc3)c(Cl)cc12 2996293 UYGVRPCZEJHVDY-UHFFFAOYSA-N 356.805 5.008 0 50 FKAA CCn1c2ccccc2c2cc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)ccc21 3463681 LOWAOXIMCPEMGH-UHFFFAOYSA-N 372.468 5.627 0 50 FKAA Cc1ccc(/C=C(/NC(=O)c2cccc(C)c2)c2nc3ccccc3[nH]2)cc1 4312252 LTGMLEIYULLFNN-PXLXIMEGSA-N 367.452 5.108 0 50 FKAA Cc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 12617437 XUOKYNFKRSLXCX-GGAORHGYSA-N 374.871 5.891 0 50 FKAA C/C(O)=C\[C@@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 102278101 BXNFWCOAJXGXQP-WAEFQUTISA-N 360.866 5.123 0 50 FKAA Cc1cccc(C)c1Nc1nc(-c2ccc(Cl)cc2)c2ccccc2n1 170618425 XDSIRLBXOJPVKF-UHFFFAOYSA-N 359.860 6.311 0 50 FKAA Cc1ccc(CN(C)C)cc1NC(=O)c1csc(C2CCCCC2)c1 2325840829 SESYFDQLGJEULY-UHFFFAOYSA-N 356.535 5.418 0 50 FKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 651247 DRWRWDZAKRKXSY-SECBINFHSA-N 360.693 5.766 0 50 FKAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCc2ccccc2C1 851745 QJIYHKNUDOFFGS-UHFFFAOYSA-N 364.448 5.100 0 50 FKAA Cc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1Cl 1172238 RUOABQFZQLOWDZ-UHFFFAOYSA-N 364.681 5.064 0 50 FKAA CC(C)Oc1ccccc1OCCCOc1ccc(Cl)c2cccnc12 2862821 AATOYNLRYGHKCJ-UHFFFAOYSA-N 371.864 5.523 0 50 FKAA O=C(Nc1sc2c(c1CNC1CCCCC1)CCCC2)c1ccccc1 3683393 KRNUUIYKUAUJPP-UHFFFAOYSA-N 368.546 5.302 0 50 FKAA COc1ccc(Oc2nc(/C=C/c3ccccc3)nc3ccccc23)cc1 4700937 PUHGYBULXDWEIJ-LFIBNONCSA-N 354.409 5.601 0 50 FKAA O=C(Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)c1cccs1 6697107 CGKPGBYVNGLXHK-VAWYXSNFSA-N 373.437 5.221 0 50 FKAA CCOc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 6710778 IHXCLIHONXBFNX-UHFFFAOYSA-N 364.392 5.971 0 50 FKAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 10155649 XCRWPHKJQZUSMR-NRFANRHFSA-N 373.452 5.164 0 50 FKAA O=C1S/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 13576065 ADKJUWMJGFTUBK-NTEUORMPSA-N 350.226 5.234 0 50 FKAA CC(C)c1ccc([C@H](C)NC(=O)Nc2ccccc2Br)cc1 13745348 WXVOPPIAVAVIGY-ZDUSSCGKSA-N 361.283 5.455 0 50 FKAA CCCCCN(CCCCC)C(=S)Nc1ccc2c(C)cc(=O)oc2c1 17076695 ASGYAAOHFCYBQC-UHFFFAOYSA-N 374.550 5.481 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 640479 NXMOWWCYUYVYSN-UHFFFAOYSA-N 350.805 5.215 0 50 FKAA Cc1ccc(NC(=O)c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1 957953 IQEGCRMCBDWJCR-UHFFFAOYSA-N 371.392 5.213 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2ccccc2c1 1156494 MFIDUXBSXWDFDB-UHFFFAOYSA-N 364.857 5.869 0 50 FKAA Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1 1165920 XBBYDDXOCSNLQL-UHFFFAOYSA-N 370.452 6.179 0 50 FKAA CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCCC2 1199830 RSJRIRACOPEIPQ-UHFFFAOYSA-N 372.490 5.228 0 50 FKAA COC(=O)c1ccc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 1848580 MVULYSRBQKPSPP-UHFFFAOYSA-N 368.473 5.287 0 50 FKAA CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 1886262 RXORUZHRQNOPPC-UHFFFAOYSA-N 366.244 5.203 0 50 FKAA Cc1ccc([C@]2(CCNCc3ccccc3)CCO[C@H](C(C)C)C2)cc1 2238577 PGPBHEFCMXSXDQ-BJKOFHAPSA-N 351.534 5.248 0 50 FKAA COc1cc(C=O)ccc1OCCCCOc1c(C)cc(C)cc1Cl 2985235 HFOJENZXEOJKMY-UHFFFAOYSA-N 362.853 5.016 0 50 FKAA O=C(NCCC1C2CC3CC(C2)CC1C3)Nc1ccc(Cl)c(Cl)c1 4782824 GIIKGZDDIWLEGS-UHFFFAOYSA-N 367.320 5.577 0 50 FKAA Cc1ccc(N2C(=N)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1C 5093786 BWSWOXKUONICPU-HKRQWEHGSA-N 350.487 5.483 0 50 FKAA Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1 13641024 DRNKWIAJAHHLCB-UHFFFAOYSA-N 365.216 5.034 0 50 FKAA Cc1cc(Nc2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 23114961 UWVVVMBSEZSBSY-UHFFFAOYSA-N 368.362 5.467 0 50 FKAA COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1Cl 36620726 RZEFJILJRHUXJJ-QGZVFWFLSA-N 374.868 5.035 0 50 FKAA Brc1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3 1857776146 YKRJEIOSSKPUHX-UHFFFAOYSA-N 365.314 6.172 0 50 FKAA CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(C)cc1)CC3=O 2084329440 DSJSOPXUCZZDMI-GOSISDBHSA-N 362.425 5.069 0 50 FKAA O=C(/C=C/c1ccco1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 848897 BFEIYRYCTHYLKL-CSKARUKUSA-N 364.788 5.393 0 50 FKAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCCc2ccccc21 851746 PXIIQBPQQSIOHT-UHFFFAOYSA-N 364.448 5.495 0 50 FKAA O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(C(F)(F)F)cc1 1074327 TZTMZJZKZUTZPL-UHFFFAOYSA-N 365.685 5.126 0 50 FKAA CCc1ccc(OCC(=O)N2c3ccccc3CCc3ccccc32)cc1 1113978 PXLXUVNKZXYMFD-UHFFFAOYSA-N 357.453 5.091 0 50 FKAA Cc1cc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)ccc1Cl 1179264 RLQNGYGOHHGPTJ-UHFFFAOYSA-N 366.848 5.410 0 50 FKAA O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Oc1cccc(Cl)c1 1386237 XSUIYUFKYWUFEZ-UHFFFAOYSA-N 374.827 5.798 0 50 FKAA CCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 4727589 KNVUKEHEYQSNCT-UHFFFAOYSA-N 358.441 5.062 0 50 FKAA CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Cl 4868066 JTVOYOFPLSDEMV-UHFFFAOYSA-N 357.759 5.398 0 50 FKAA Clc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1 15083802 ZYMDWUPRLLWXNV-UHFFFAOYSA-N 373.283 5.257 0 50 FKAA CCOC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 15867045 YCWFFTLPAXGUCG-QGZVFWFLSA-N 372.490 5.074 0 50 FKAA CC1(C)CC2=Nc3ccccc3N[C@@H](c3c(F)cccc3Cl)C2=C(O)C1 100671144 QADUBTASJBSPDB-FQEVSTJZSA-N 370.855 6.351 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609166 DTGDZMYNKLTSKC-XUACHYEOSA-N 370.665 8.418 0 50 FKAA Cc1ccc(Sc2c(C)nn(C(=O)c3ccccc3Cl)c2C)cc1 625363 QVSQZBZKYMQNOX-UHFFFAOYSA-N 356.878 5.301 0 50 FKAA Cc1ccc(NC(=O)Nc2cccc3ccccc23)c(Br)c1 627109 PRTNYCKGUHKNFH-UHFFFAOYSA-N 355.235 5.555 0 50 FKAA COc1ccc([C@@H](NC(=O)[C@H](c2ccccc2)C(C)C)c2ccccc2)cc1 633211 MMYNWUYBPRBIRS-ZEQRLZLVSA-N 373.496 5.341 0 50 FKAA Cc1ccc(N(C)C(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1 1110246 RSUZVRGTTOTUFO-UHFFFAOYSA-N 361.228 5.485 0 50 FKAA Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 1672973 FEVFLQDDNUQKRY-UHFFFAOYSA-N 352.370 6.376 0 50 FKAA CCCOC(=O)c1c(NC(C)=O)sc(C)c1-c1ccc(CCC)cc1 2774078 YPALNWCULZHPJJ-UHFFFAOYSA-N 359.491 5.201 0 50 FKAA COc1ccccc1[C@H]1CCN(Cc2ccc(C)o2)c2ccccc2S1 11912393 DEDVRFZNWVYFDJ-OAQYLSRUSA-N 365.498 5.840 0 50 FKAA C[C@@H](O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859594 LLFBQQHYZJTRAS-QGZVFWFLSA-N 357.453 5.187 0 50 FKAA in-vitro CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118914021 NTISSUBFZAIVDS-YFZYAMFLSA-N 370.577 5.686 0 50 FKAA biogenic C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@]12C 257348555 GXQXPGFEGWVXMR-QXKARQELSA-N 360.582 5.191 0 50 FKAA c1ccc(-c2nc3c(s2)[C@H](NCCc2ccc4[nH]ccc4c2)CCC3)cc1 1875340959 AMAGHFYQVDXJFQ-HXUWFJFHSA-N 373.525 5.501 0 50 FKAA Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O 608213 JFIOVJDNOJYLKP-UHFFFAOYSA-N 356.057 5.863 0 50 FKAA biogenic,world O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1Cl 716769 IMHJADGPLDXDDH-UHFFFAOYSA-N 357.240 5.232 0 50 FKAA c1ccc(-c2cc3c(Oc4cccc5ccccc45)ncnc3s2)cc1 952442 YRUHEQMLIVBFTL-UHFFFAOYSA-N 354.434 6.304 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1C 995272 JBFQTTDSJJOSHM-IRXDYDNUSA-N 372.512 5.637 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 1143909 WMTKMWCOBBVIPU-RCCKNPSSSA-N 363.844 5.528 0 50 FKAA O=C(Nc1nnc(-c2cccs2)s1)Nc1ccc(Cl)cc1Cl 2252464 UCOMHZGCSQZVII-UHFFFAOYSA-N 371.274 5.217 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)c3ccc4ccccc4c3)ccc21 2472142 OHRJOJUPNQJTAH-UHFFFAOYSA-N 364.448 6.220 0 50 FKAA CCCC[C@@H](CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 2512325 MNELUOHPQMJXGU-LLVKDONJSA-N 367.700 5.785 0 50 FKAA Cc1c(Cl)cccc1NC(=S)NCCSc1ccc(Cl)cc1 2784493 NLFMJDOMNOWFIM-UHFFFAOYSA-N 371.358 5.381 0 50 FKAA O=C(c1ccc(Cl)c(F)c1F)N(C1CCCCC1)C1CCCCC1 2850922 SLTOQASWKLIVNW-UHFFFAOYSA-N 355.856 5.726 0 50 FKAA CSc1ccc(OC(=O)Nc2ccc(C)cc2Br)cc1C 3086132 GWWRYKCVRXHYFM-UHFFFAOYSA-N 366.280 5.399 0 50 FKAA CCNc1nc(SCc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)n1 3470180 ZUIFMFIIHZRPBO-UHFFFAOYSA-N 369.456 5.517 0 50 FKAA CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccoc1C 5597492 AIDUEQCPJXLDID-UHFFFAOYSA-N 369.442 5.136 0 50 FKAA COc1ccc(-c2[nH]c(-c3ccc4c(c3)OCO4)nc2-c2ccccc2)cc1 8578048 FJTJKUJYTOHHRS-UHFFFAOYSA-N 370.408 5.148 0 50 FKAA Cc1ccc(Oc2ncccc2CNCc2ccccc2-c2ccco2)cn1 12308163 VCOHAIYIDIBOHY-UHFFFAOYSA-N 371.440 5.127 0 50 FKAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc1 15062750 GXGVFZONWFNRPN-MRXNPFEDSA-N 374.575 5.083 0 50 FKAA COc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c2ccccc2n1 18177359 LUSPUJOEWYOQLG-UHFFFAOYSA-N 361.832 5.702 0 50 FKAA CC(=O)[C@H](C(=O)c1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 100620110 LHSFJGLRWCYDFF-NRFANRHFSA-N 360.384 5.151 0 50 FKAA O=C(NCc1ccccc1)c1cccc(COc2ccc3ccccc3c2)c1 673345 OPDKNMKROPPXNC-UHFFFAOYSA-N 367.448 5.349 0 50 FKAA O=C1C[C@@H](c2ccccc2)SC(N(c2ccccc2)c2ccccc2)=N1 1132286 WIKOYZFVDYYDNM-FQEVSTJZSA-N 358.466 5.586 0 50 FKAA CC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)cc1 1185524 GXZCNTBSTVWQOT-UHFFFAOYSA-N 353.805 5.363 0 50 FKAA Cc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1C 1428498 QQJFESLRRHFXSX-UHFFFAOYSA-N 359.882 5.018 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12 1671669 QUCNYTPXEGJTPN-UHFFFAOYSA-N 359.812 5.920 0 50 FKAA C(=C/c1ccccc1)\CSc1nnc(-c2ccco2)n1-c1ccccc1 2281357 XEIHZLRHXZNDQL-DHZHZOJOSA-N 359.454 5.333 0 50 FKAA O=C(NCCSCc1c(Cl)cccc1Cl)Nc1ccccc1 2818287 JEHXUJVEJQPSGZ-UHFFFAOYSA-N 355.290 5.048 0 50 FKAA CC[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 2850430 FQSMZQJUDKQORA-LJQANCHMSA-N 372.493 6.096 0 50 FKAA Cc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 2978756 VEWPEJGZZJUKHC-UHFFFAOYSA-N 373.692 5.082 0 50 FKAA C(=C/c1cc(/C=C/c2ccccc2)nc(-c2ccccc2)n1)\c1ccccc1 4182554 OKWXZYMRRLQTTH-YWNVXTCZSA-N 360.460 6.484 0 50 FKAA CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC 4543774 UPIRHFZFPVEDCF-NQLNTKRDSA-N 350.587 7.533 0 50 FKAA in-vitro COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)c1 5136983 JZOWEIHQVPQDRU-FYYLOGMGSA-N 374.415 5.077 0 50 FKAA CC[C@@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3F)cc2C1 6489373 AJGVXMSKCCKNOF-SNVBAGLBSA-N 371.399 5.673 0 50 FKAA Cc1ccc(-c2nc(O)c3c(-c4ccc(F)cc4)c(C)sc3n2)s1 1875304001 WEQBGLKISAKALX-UHFFFAOYSA-N 356.447 5.548 0 50 FKAA Oc1ccc(-c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1 1875309866 SALYAUVKXWUDCG-UHFFFAOYSA-N 352.337 5.158 0 50 FKAA Cc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3o2)cc1 1057826 CAWSTJLFYYLHPG-UHFFFAOYSA-N 374.465 5.681 0 50 FKAA CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 1120910 FAYMKODSVWOFFU-VGOFMYFVSA-N 350.462 5.056 0 50 FKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccccc1F 1200235 JSUAKOBTYCAGIR-UHFFFAOYSA-N 356.400 5.602 0 50 FKAA Cc1ccc(Oc2c(C=O)c(-c3ccccc3)nn2-c2ccccc2)cc1 1386235 DLMSLBNQUFOGMR-UHFFFAOYSA-N 354.409 5.453 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1CC(=O)c1ccccc1 4663042 HSDMTOQDDDRLCZ-PGRDOPGGSA-N 356.469 5.321 0 50 FKAA CCOC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)o2)cc1 5068417 BGPSJJUTGQKCMN-UHFFFAOYSA-N 369.804 5.029 0 50 FKAA CCc1ccc([C@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13320532 ZMBOWISFTDGJTN-NSHDSACASA-N 370.802 5.804 0 50 FKAA Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 13757779 UNBFLPWZMOGXHA-YLJYHZDGSA-N 366.873 5.644 0 50 FKAA Cc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 17160811 GCDVTLRFQMZKRE-UHFFFAOYSA-N 358.854 5.119 0 50 FKAA c1ccc(NC2c3ccccc3C(Nc3ccccc3)c3ccccc32)cc1 23549895 IGQCVHLKTKIMEL-UHFFFAOYSA-N 362.476 6.403 0 50 FKAA CCOc1ccc(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)cc1 64984551 KDXCOXKETOOVMN-FQEVSTJZSA-N 356.441 5.374 0 50 FKAA Cc1c(OC(=O)c2ccccc2F)ccc2c(-c3ccccc3)cc(=O)oc12 941373 NHPBPIHTANTZGM-UHFFFAOYSA-N 374.367 5.127 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2ccccc12 1113474 BSVWQKGYBQNZHY-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1 1158606 RDGWTPKIOMYGNZ-UHFFFAOYSA-N 370.452 6.045 0 50 FKAA Cc1cc2c(o1)-c1c(oc3ccc(Cl)cc13)CC[C@]2(C)c1ccccc1 1790060 CGECLQBCSRMVSY-HSZRJFAPSA-N 362.856 6.907 0 50 FKAA biogenic COP(=O)(OC)C1(Nc2ccc(Cl)c(Cl)c2)CCCCC1 2495551 JXVTYFPHHXHAOD-UHFFFAOYSA-N 352.198 5.552 0 50 FKAA CC(C)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2774519 HYTYSCAJMAYGRA-UHFFFAOYSA-N 366.288 5.915 0 50 FKAA O=C(Oc1ccc(-c2nccc(-c3cccs3)n2)cc1)c1cccs1 4060653 CCVWHVKCQRDYQF-UHFFFAOYSA-N 364.451 5.153 0 50 FKAA CCc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 4842081 FBCIAOQNMBLQAJ-UHFFFAOYSA-N 357.413 5.013 0 50 FKAA O=C1c2ccccc2-c2c1c1c(c3ccccc23)ON(C2CCCCC2)C1 5904405 UUSBINCGCXHYAO-UHFFFAOYSA-N 355.437 5.493 0 50 FKAA C[C@@H](CN1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1)c1ccccc1 20535169 ACPQJUGZAWPZSY-FXAWDEMLSA-N 363.480 5.199 0 50 FKAA Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 100720582 UBNLCKMPRDWXTI-IFMALSPDSA-N 350.437 5.276 0 50 FKAA CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2c3ccc4c(c3CC[C@@]12C)CCCC4 101125703 VLVSPITURLTIAR-UURBWOCOSA-N 366.633 7.720 0 50 FKAA COc1ccc(C2=NN3[C@H](C4CCCCC4)Oc4ccccc4[C@H]3C2)cc1 245377382 KIXCOVXKIPOHMD-GGAORHGYSA-N 362.473 5.145 0 50 FKAA C[C@H]1CC=CC[C@H]1CO[C@H](OC[C@H]1CC=CC[C@H]1C)[C@H]1CC=CC[C@H]1C 254520913 WAEPJRAKLSUPKF-JHNFMNEESA-N 358.566 6.153 0 50 FKAA COC(=O)c1ccc(-c2ccc(-c3nc4c(Cl)c(C)ccc4[nH]3)o2)cc1 1875338486 ZCXONLUPCXWAQF-UHFFFAOYSA-N 366.804 5.238 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1 692888 HCHWBLMOUFYABM-UHFFFAOYSA-N 362.665 5.083 0 50 FKAA O=C(Oc1ccc(Cl)c2cccnc12)c1ccc(Cl)cc1Cl 1143125 XWEPNJGVEWCKHY-UHFFFAOYSA-N 352.604 5.414 0 50 FKAA COc1cccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1 1159051 BALRXKWACRNIFW-UHFFFAOYSA-N 373.880 5.414 0 50 FKAA CC[C@@H](C)c1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2519774 RMPNEASBZUDPGV-LJQANCHMSA-N 357.497 6.552 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1Cl 2742174 XXSLOBHWJKPZLY-UHFFFAOYSA-N 358.652 5.445 0 50 FKAA Cc1oc(-c2ccoc2)nc1CN1CCCC[C@@H]1CCc1ccccc1 12076744 IDHIMKOPSANQIT-HXUWFJFHSA-N 350.462 5.230 0 50 FKAA Cn1ccnc1/C=C(/OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 22033286 GGPBUJROQYICRS-SFQUDFHCSA-N 373.239 5.082 0 50 FKAA Clc1cccc(Cl)c1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 39769830 SRUKOPZYMRZGLU-UXHICEINSA-N 367.364 5.222 0 50 FKAA Ic1ccc(-c2cccc(-c3ccccc3)c2)cc1 118276412 OULKUTIENOGKKJ-UHFFFAOYSA-N 356.206 5.625 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1C=C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 257349924 SRDSINWZFIYKJZ-LWEHDTGCSA-N 370.665 8.274 0 50 FKAA O=C(Nc1ccccc1COc1ccccc1)c1cccc2cccc(O)c12 1875353302 OFSLEFICJWQPLY-UHFFFAOYSA-N 369.420 5.377 0 50 FKAA CCc1ccc(-n2nc(-c3ccoc3)nc2[C@H](CC)OC2CCCC2)cc1 2325826862 OVILSXJRKMAQGB-FQEVSTJZSA-N 365.477 5.500 0 50 FKAA Clc1cccc(Nc2nc(Cl)nc(Nc3cccc(Cl)c3)n2)c1 710838 TYANABJNBYMPNE-UHFFFAOYSA-N 366.639 5.319 0 50 FKAA Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 1045073 JDEUEYSEJIGMIY-NRFANRHFSA-N 367.901 6.029 0 50 FKAA COc1cc2c(cc1OC)[C@H](c1ccc3oc4ccccc4c3c1)OCC2 6668286 DHISVKZGFROTOX-QHCPKHFHSA-N 360.409 5.265 0 50 FKAA Clc1cccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1 55543351 BJSSPDCHHGOOCH-UHFFFAOYSA-N 362.904 5.329 0 50 FKAA CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc2scnc2c1 96138310 GRHPVGQRHBYHHR-KRWDZBQOSA-N 354.479 5.087 0 50 FKAA Oc1ccc(OC(F)(F)F)cc1-c1ccc(-c2nc3ccccc3[nH]2)o1 1772805250 KHSOVCLGDZFFFH-UHFFFAOYSA-N 360.291 5.094 0 50 FKAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)cc1 1117384 DJQBLDQUUUDJFG-UHFFFAOYSA-N 363.800 5.241 0 50 FKAA Cc1c(C)c2cc(Cl)c(OCc3c(F)cccc3Cl)cc2oc1=O 1164426 XGQXBSXRJVTNAQ-UHFFFAOYSA-N 367.203 5.435 0 50 FKAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1c(Cl)cccc1Cl 1218091 SIZMRAVYMWEJBW-SNVBAGLBSA-N 358.652 5.361 0 50 FKAA O=C(c1conc1-c1c(Cl)cccc1Cl)c1sccc1Cl 1397745 XHIJIPOZEBNRPS-UHFFFAOYSA-N 358.633 5.594 0 50 FKAA Cc1ccc(-c2cc(C(=O)Oc3ccccc3)c3cc(C)ccc3n2)cc1 2079455 MEPXQNGHOGTREH-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA Cc1ccc(OS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 2173070 GIMHEBGUPVOLGE-UHFFFAOYSA-N 374.546 6.133 0 50 FKAA CCCCCCC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C 2779412 SIJFGEIQBSLYAE-WIYYLYMNSA-N 350.506 5.935 0 50 FKAA CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(C)cc3)c12 2858605 LLQRJUGHLGZYGO-UHFFFAOYSA-N 364.441 5.014 0 50 FKAA O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(F)cc1F 4542957 QYCZXVCDTJQLFS-JXMROGBWSA-N 359.759 5.530 0 50 FKAA CCOC(=O)C[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 257350034 UEYAIUYANUAWRC-XGMMTWQKSA-N 374.609 6.625 0 50 FKAA CCOC(=O)c1c2ccc(OCc3ccc(C)cc3)cc2n2ccccc12 1398644 HBKFSFKBOWLYFV-UHFFFAOYSA-N 359.425 5.157 0 50 FKAA Clc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1 2863733 BOTHXIJMQAJCAO-UHFFFAOYSA-N 350.289 5.605 0 50 FKAA Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)no1 2872658 VIBIAFGNIDVYQJ-UHFFFAOYSA-N 361.426 5.026 0 50 FKAA Cc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 2979175 KTAUAHWYYLDYPA-UHFFFAOYSA-N 358.466 5.375 0 50 FKAA O=c1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c2c1CCC2 4038758 HMRAQPPSBBYOJK-UHFFFAOYSA-N 361.224 5.168 0 50 FKAA Cc1cccc(OC[C@H](C)NCCC(c2ccccc2)c2ccccc2)c1 4072757 IZXAGWMCNUNXNS-NRFANRHFSA-N 359.513 5.574 0 50 FKAA c1ccc(COP(OCc2ccccc2)OCc2ccccc2)cc1 36453107 KKFOMYPMTJLQGA-UHFFFAOYSA-N 352.370 5.864 0 50 FKAA CCOc1ccc(C(F)(F)F)cc1NCc1csc([C@H]2CCCO2)n1 134835337 DVWJVCMZQAIPEI-OAHLLOKOSA-N 372.412 5.024 0 50 FKAA CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(F)c(Cl)cc2Cl)n[nH]1 488473651 XBSJHZVKNLBUNK-IVZWLZJFSA-N 359.276 5.176 0 50 FKAA CCc1cc(-c2oncc2-c2ccc(Br)cc2)c(O)cc1OC 630524 FTPCUVAIXIXMEJ-UHFFFAOYSA-N 374.234 5.048 0 50 FKAA CCCC(=O)c1ccc(-c2ccc(OC(=O)Nc3ccccc3)cc2)cc1 633204 TXYCCEMVLYQSHT-UHFFFAOYSA-N 359.425 5.947 0 50 FKAA COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(OC)c1 706597 CTWRMVAKUSJNBK-UHFFFAOYSA-N 356.425 5.428 0 50 FKAA biogenic CCCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc12 758212 GQXYOOUDXDDLKF-UHFFFAOYSA-N 351.453 6.033 0 50 FKAA CC[C@H]1CCCCN1Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC 2928700 AIVPFDKPVKMYBI-FQEVSTJZSA-N 363.501 6.181 0 50 FKAA CCCCc1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12 2960461 YEPOICMEJKOATF-UHFFFAOYSA-N 362.853 5.275 0 50 FKAA CCc1cc(=O)oc2cc(OCc3cccc4ccccc34)c(Cl)cc12 2995053 PDCFNMFHCXDNKO-UHFFFAOYSA-N 364.828 5.741 0 50 FKAA O=C(CCCSc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1 2999956 VGUIFZMTBZKCDE-UHFFFAOYSA-N 365.882 5.844 0 50 FKAA Cc1ccc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 4050279 LJYCAFKRZMNFIJ-UHFFFAOYSA-N 366.486 5.318 0 50 FKAA CCc1oc2c(NC(=O)N3CCC[C@H]3c3nccs3)cccc2c1C 97805788 KLGSOHAZIQQLBP-HNNXBMFYSA-N 355.463 5.129 0 50 FKAA Cc1cc(-n2nc(-c3cc4ccccc4o3)nc2C2[C@H](C)[C@H]2C)cc(C)n1 1875348532 UPFRUUJGBXMOSM-HUUCEWRRSA-N 358.445 5.062 0 50 FKAA O=C(c1ccc(-c2ccccc2)cc1)N1CCCC[C@H]1C1(C(F)(F)F)N=N1 1875355896 FOPXQNWDTHCNME-KRWDZBQOSA-N 373.378 5.073 0 50 FKAA COc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 868690 YYKGRDHEMHGHTO-UHFFFAOYSA-N 367.257 5.344 0 50 FKAA O=C(CSc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 955539 SLQXGGIGIWKWCU-UHFFFAOYSA-N 362.479 5.333 0 50 FKAA CC(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 2812240 SUGGXFFYDNHZPI-JOCHJYFZSA-N 360.432 5.720 0 50 FKAA O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CNc1ccc(Cl)cc1 2904657 WGIATYJKJMFNLS-AQHRCUNFSA-N 370.861 5.002 0 50 FKAA O=C(Nc1cccc(F)c1)/C(=C/c1ccccc1Cl)c1ccccc1 4873177 JPFVHANUXQELTN-CPNJWEJPSA-N 351.808 5.658 0 50 FKAA CCN1C=CC(=C/C=C\c2ccc3ccccc3[n+]2CC)c2ccccc21 5128470 ONKAXOHRKIYFDJ-UHFFFAOYSA-N 353.489 5.598 0 50 FKAA CC(C)C(=O)Nc1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1 1857798290 QHQKGFQYSMWJDK-UHFFFAOYSA-N 355.478 5.036 0 50 FKAA C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 1875306022 PRKJSCWZXXLUGN-VXGBXAGGSA-N 370.802 5.673 0 50 FKAA O=c1n(Cc2ccc(C3CCCCC3)cc2)ccn1-c1ccc(Cl)cc1 2325864655 UWKNUMKSWYUAMR-UHFFFAOYSA-N 366.892 5.388 0 50 FKAA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(Cl)cc1Cl 2544868 QWUWLAGGZREEQK-UHFFFAOYSA-N 374.054 5.058 0 50 FKAA Fc1ccccc1COc1ccc2ccccc2c1CNCc1ccncc1 4413602 KSUUBOHSELRSLT-UHFFFAOYSA-N 372.443 5.243 0 50 FKAA CC(=O)N1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4604707 BHCVEZXVFMWSNG-CAOCKLPOSA-N 369.464 5.074 0 50 FKAA COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)c1ccccc1n3C)OCC2 4710787 NORUPASHEHOSCC-XMMPIXPASA-N 373.452 5.011 0 50 FKAA COC(=O)c1ccc(Oc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1 4989841 JDEPTHWRIAAYOX-UHFFFAOYSA-N 370.408 5.184 0 50 FKAA Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 12195002 BYKUNAMVQPMIQN-YLJYHZDGSA-N 366.873 5.644 0 50 FKAA CC[C@@H](c1ccc2c(Br)c(OC)ccc2c1)C(C)(C)C(=O)O 71770783 KNFVNPNECVBQGJ-AWEZNQCLSA-N 365.267 5.215 0 50 FKAA C[C@H](N[C@H](C1CCCCC1)C1CCC1)c1cnc(-c2ccccn2)s1 2325827820 RBFQBTKYVDCWIN-MGPUTAFESA-N 355.551 5.605 0 50 FKAA O=C(Nc1cccc2ncccc12)c1ccc(OCc2ccccc2)cc1 680123 YNGPZQPOASHIEW-UHFFFAOYSA-N 354.409 5.066 0 50 FKAA O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)C1CCCCC1 1130161 LGYZZLGXMWOZSG-UHFFFAOYSA-N 356.278 5.031 0 50 FKAA Cc1sc(-c2cccnc2)nc1OC(=O)c1cc(Cl)cc(Cl)c1 3116628 YEMAUOYTVIBIMB-UHFFFAOYSA-N 365.241 5.040 0 50 FKAA c1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)cc1 3860229 MASVCBBIUQRUKL-UHFFFAOYSA-N 364.404 6.331 0 50 FKAA in-vitro O=C(Nc1nccs1)c1sc2cc(Br)ccc2c1Cl 16603573 SJZLMGSLACVIMZ-UHFFFAOYSA-N 373.684 5.026 0 50 FKAA Cc1ccc(Cn2c(=S)[nH]c3sc(-c4ccccc4)cc3c2=O)cc1 17074972 NOWKJFDHGNMPML-UHFFFAOYSA-N 364.495 5.144 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccc(C)cc23)c2ccccc21 71746312 NULKGPOKWWKWBU-UHFFFAOYSA-N 355.481 6.524 0 50 FKAA in-vitro Cc1ccnc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 754525 DNKAATYLRJATBI-UHFFFAOYSA-N 374.550 5.561 0 50 FKAA CC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2ccccc12 872562 MNIPJJNYTUPWDZ-UHFFFAOYSA-N 372.468 5.249 0 50 FKAA CC[C@@H](C)c1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 912951 UVDGBCWVJUDZBZ-LLVKDONJSA-N 352.261 5.768 0 50 FKAA COC(=O)c1c(NC(=O)Oc2ccccc2)sc(C)c1-c1ccccc1 937395 KKJHEROWBGONKK-UHFFFAOYSA-N 367.426 5.121 0 50 FKAA COc1ccc(/C=C/C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC 1189939 PSDSPGRGXCEWJE-OQLLNIDSSA-N 359.425 5.023 0 50 FKAA O=C(Nc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl 1267187 VDWWQRGNOGTHQQ-UHFFFAOYSA-N 372.251 5.825 0 50 FKAA Cc1ccc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2843327 GZIZCTVLROSBGY-LLVKDONJSA-N 373.827 5.787 0 50 FKAA CCOc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2878855 MXAFICPHARWIAQ-UHFFFAOYSA-N 365.285 6.259 0 50 FKAA ClC(Cl)=C1C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl 3122002 HSNOZNMQZFGXDR-UHFFFAOYSA-N 355.690 5.726 0 50 FKAA O=C(c1cccs1)[C@@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4053078 HOSXHROOYHFETC-RTBURBONSA-N 367.901 5.504 0 50 FKAA O=c1oc2ccccc2cc1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4991193 QENMNOSQXXAQFG-UHFFFAOYSA-N 374.248 5.890 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 13119891 XXNRZZXPXAFYRJ-KXMWUTRISA-N 357.497 5.328 0 50 FKAA CCC[C@H](N[C@H](C)[C@@H]1CCCCN1)c1ccc(Oc2ccccc2)cc1 2325822363 TVKVSXXHKJQNFL-LEOXJPRUSA-N 352.522 5.440 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)Nc1cccc(Cl)c1Cl 640965 AXMGSWJPMJHDJZ-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA CCOC(=O)c1c(NC(=O)c2c(Cl)cccc2Cl)sc(C)c1C 996654 FOYQWLQBRCHNOM-UHFFFAOYSA-N 372.273 5.101 0 50 FKAA c1ccc(CSc2nnc3n(Cc4ccccc4)c4ccccc4n23)cc1 1078737 PROGWDSVVGHALZ-UHFFFAOYSA-N 370.481 5.025 0 50 FKAA FC(F)(F)c1cccc(Cn2c(-c3cscn3)nc3ccccc32)c1 1444395 OVRQXSFOFHBAGY-UHFFFAOYSA-N 359.376 5.227 0 50 FKAA COc1ccc(C(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 2751341 TVPSXSVWGRDNEZ-HSZRJFAPSA-N 374.436 5.093 0 50 FKAA CC1(C)CCCC(C)(C)N1c1cc(-c2cccs2)nc2ccccc12 4542564 SKXFJDIEMRCKOS-UHFFFAOYSA-N 350.531 6.511 0 50 FKAA CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2C)cc1 4795287 LGCCMGQBDGTPLK-UHFFFAOYSA-N 367.232 5.123 0 50 FKAA COc1cc2c(cc1NC(=O)Nc1ccc(C(C)=O)cc1)oc1ccccc12 5041498 CDHMVMCMMLLTCB-UHFFFAOYSA-N 374.396 5.441 0 50 FKAA COc1ccc(C)cc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13329889 YUSXJNJHHRSUDH-LLVKDONJSA-N 353.249 5.193 0 50 FKAA CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccco3)cc(C(F)F)c12 20603181 XMLDCOBTLCNJHX-UHFFFAOYSA-N 371.362 5.881 0 50 FKAA C[C@H]1CCC[C@@H](C)N1CCCCC(O)(c1ccccc1)c1ccccc1 29551818 KUFREUPVXVHBCT-OYRHEFFESA-N 351.534 5.356 0 50 FKAA C[C@]12C/C(=C/c3ccccc3)C(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)CCC[C@H]12 36370905 ASJAFGMKVOVZFV-UQQGHZMASA-N 362.557 6.682 0 50 FKAA COc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 45068144 FYXHJEUZNXXJDO-LJQANCHMSA-N 368.889 5.766 0 50 FKAA CCCCCn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 95561015 HDWMKVHXWFNFQW-UHFFFAOYSA-N 359.444 6.355 0 50 FKAA in-vitro CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(F)c(Cl)cc2Cl)n[nH]1 488473645 XBSJHZVKNLBUNK-AEJSXWLSSA-N 359.276 5.176 0 50 FKAA COc1ccc(-c2cccnc2)cc1NC(=O)c1cccc2ccccc12 2325823205 JSYKNBQQSKQAPZ-UHFFFAOYSA-N 354.409 5.163 0 50 FKAA O=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 584084 HAZXGZLAXKZRQX-VOTSOKGWSA-N 359.269 5.376 0 50 FKAA Cc1cccc(Oc2coc3cc(OCCc4ccccc4)ccc3c2=O)c1 942485 VBBOHXUEGKMQAK-UHFFFAOYSA-N 372.420 5.515 0 50 FKAA biogenic CCOC(=O)c1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1 2270513 DENHKCMZPFZGQV-UHFFFAOYSA-N 369.424 5.217 0 50 FKAA Cc1ccc(C(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)cc1C 2751267 CPVHOQKDHKIIQL-FQEVSTJZSA-N 350.439 5.146 0 50 FKAA CC(C)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 3003271 UZSZMEUDODRXLV-UHFFFAOYSA-N 361.510 6.355 0 50 FKAA Cc1ccc(C(=O)C(C)(C)C(C)(C)C(C)(C)C(=O)c2ccc(C)cc2)cc1 3132612 UQGWVRQUCBAWBU-UHFFFAOYSA-N 364.529 6.448 0 50 FKAA CCCCCC[C@@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O 6783013 IEKIFXSJHKVQDS-IERDGZPVSA-N 372.534 5.944 0 50 FKAA CCCC[C@H](CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 25757203 MNELUOHPQMJXGU-NSHDSACASA-N 367.700 5.785 0 50 FKAA Cc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c(C)c1 64007056 XMOSNEYFOOMVSD-UHFFFAOYSA-N 365.498 5.132 0 50 FKAA CCc1oc2c(NC(=O)N3CCC[C@@H]3c3nccs3)cccc2c1C 97805787 KLGSOHAZIQQLBP-OAHLLOKOSA-N 355.463 5.129 0 50 FKAA O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)c(Cl)c1 705029 UQAMSTUHGNIQAI-HNNXBMFYSA-N 358.677 5.425 0 50 FKAA CCN(CC)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1 753700 HEZIMVKQSJBIPG-UHFFFAOYSA-N 358.536 5.473 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(F)cc1 828364 CHLVKQBDVQGHAX-IIBYNOLFSA-N 360.432 5.418 0 50 FKAA O=C(Cc1ccccc1)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 991715 IPHOVLAUDCETQR-UHFFFAOYSA-N 372.251 5.967 0 50 FKAA CCCCOc1ccccc1NC(=O)/C=C/c1ccc(OCCC)cc1 1777952 YUSZFFNXOUDMGI-NTCAYCPXSA-N 353.462 5.306 0 50 FKAA CSc1cccc(NC(=O)OCCOc2ccc(C(C)(C)C)cc2)c1 2172824 ZLAULWWTLLKVTJ-UHFFFAOYSA-N 359.491 5.334 0 50 FKAA CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 2732435 USFGKIQKUAPQOR-UHFFFAOYSA-N 355.363 5.599 0 50 FKAA Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(Cl)c1 4542958 UAKJVWUTSIBXCH-DHZHZOJOSA-N 372.251 6.214 0 50 FKAA c1ccc([C@H]2CC(c3ccc4ccccc4c3)=Nc3ccccc3S2)cc1 5738191 OTNZACAMARWHAB-RUZDIDTESA-N 365.501 7.198 0 50 FKAA COc1ccccc1-c1cc(C(F)(F)F)c2c(-c3ccccc3)noc2n1 20605558 UZVZUZCJMFDDJN-UHFFFAOYSA-N 370.330 5.584 0 50 FKAA C=C(c1ccc(C(=O)OC)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 38543893 VSMOGQLTPWIBNI-UHFFFAOYSA-N 362.513 6.192 0 50 FKAA in-vitro Cc1ccc(NC(=O)N(Cc2ccccn2)C2CCCCC2)c2cccnc12 426541215 GLAWYYOFBXYCPX-UHFFFAOYSA-N 374.488 5.305 0 50 FKAA CCCc1nc(NC(=O)[C@@]23CCC[C@H]2CC(F)(F)CC3)sc1CC 1875357180 WCUWAPPKEQBCFG-YVEFUNNKSA-N 356.482 5.202 0 50 FKAA CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c1ccc1cc(C)ccc12 633218 YHXGZMOSMFZPQU-UHFFFAOYSA-N 371.436 5.117 0 50 FKAA CCOc1ccccc1Nc1nc(-c2c(C)nc3cc(C)ccn23)cs1 643747 DBFVJDFIEFILCG-UHFFFAOYSA-N 364.474 5.217 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccccc1 671746 ZJRKVIRMCLLLQM-UHFFFAOYSA-N 365.820 5.236 0 50 FKAA O=C1NC(/C=C/c2ccccc2)=C(c2ccccc2)[C@H](c2ccccc2)N1 754930 VOERGNCORYZWAF-OFYULWLWSA-N 352.437 5.165 0 50 FKAA O=C(NCC(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12 787454 LUXIZSSUAGKEIT-UHFFFAOYSA-N 366.464 5.793 0 50 FKAA Cc1ccccc1/C=C/C(=O)Nc1ncc(Cc2ccccc2Cl)s1 848309 UCXGXSOYQPDCTM-ZHACJKMWSA-N 368.889 5.348 0 50 FKAA O=C(/C=C/c1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 997080 XCRBGBATFCBIBF-QPJJXVBHSA-N 360.162 5.664 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)Cc4cccs4)cc3)sc2c1 1182102 CLDKRXOXDGXXCV-UHFFFAOYSA-N 364.495 5.514 0 50 FKAA O=C1C[C@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21 1403146 WLXVJMDOENLLJQ-GOSISDBHSA-N 368.354 6.216 0 50 FKAA COc1ccc(-c2coc3cc4oc(=O)cc(-c5ccccc5)c4cc23)cc1 2151190 UQGDPULPKZLEQB-UHFFFAOYSA-N 368.388 5.882 0 50 FKAA biogenic Clc1nc(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 2322720 MZFQKFLQXMLKSO-UHFFFAOYSA-N 360.888 6.222 0 50 FKAA Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(Cl)c1 13329971 SPELTGQTJIEFOJ-SNVBAGLBSA-N 357.668 5.838 0 50 FKAA CC(=O)N(Cc1cc2cccc(C)c2nc1-c1cccc(Cl)c1)C1CC1 14887244 YQZZUJWKJIFDDW-UHFFFAOYSA-N 364.876 5.375 0 50 FKAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 20536470 UXJXWSYMCBOUJR-OAHLLOKOSA-N 370.905 5.045 0 50 FKAA Clc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccccc3)C2)cc1 20537615 XYPNIXVKBMQIAW-GOSISDBHSA-N 351.881 5.110 0 50 FKAA O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccccc3)cc(C(F)F)c12 20615131 NLCHVQGCILFORR-UHFFFAOYSA-N 373.428 5.174 0 50 FKAA CC(C)(C)[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C 169794768 ZWANQGVIZLRCQY-UHFFFAOYSA-N 362.931 6.272 0 50 FKAA Nc1nc(-c2cccc(-c3ncc(C(F)(F)F)cc3Cl)c2)cs1 261494881 PNALOLRVZMXKAV-UHFFFAOYSA-N 355.772 5.127 0 50 FKAA Cc1ccc(O)c(-c2cccc(C(=O)N3CCCC[C@@H]3c3cccnc3)c2)c1 299791809 FUFCAGCTFSQNER-JOCHJYFZSA-N 372.468 5.130 0 50 FKAA Cc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)ccc1Cl 2325879247 NXRRPLBERNPYQY-UHFFFAOYSA-N 357.862 5.116 0 50 FKAA Cc1ccc(-c2nn3cc(-c4ccc(Br)cc4)nc3s2)cc1 622725 RMNWIBFNDUSHNC-UHFFFAOYSA-N 370.275 5.196 0 50 FKAA CCC(CC)c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 937353 GOHPAJBWTUAJSH-UHFFFAOYSA-N 365.502 5.212 0 50 FKAA CCn1c2ccccc2c2cc(CN[C@@H]3CCCc4ccccc43)ccc21 975552 PUQGENRBXGZWDZ-HSZRJFAPSA-N 354.497 5.982 0 50 FKAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccccc2Cl)c1C 1110927 AOZPQAYWXNFTFR-UHFFFAOYSA-N 351.899 5.055 0 50 FKAA CCN(CC)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1 2859051 UDMNHRGHTOVZJQ-UHFFFAOYSA-N 368.521 5.156 0 50 FKAA ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl 3070115 YUWBWGNRIUFWCC-UHFFFAOYSA-N 367.701 6.242 0 50 FKAA Clc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2c2ccccc2)cc1 4314915 MVCUPAUARFSBAJ-NRFANRHFSA-N 367.279 6.349 0 50 FKAA CCOc1ccc(NC(=O)N(C2=NCCCCC2)C2CCCCC2)cc1 25757413 KFCMMQFAOKLWMO-UHFFFAOYSA-N 357.498 5.224 0 50 FKAA COc1ccc(C)cc1NC(=O)N1CCCCC[C@H]1c1cccc(C)c1 64984924 AUAUZRLXWMWLFM-FQEVSTJZSA-N 352.478 5.461 0 50 FKAA O=C(CCCc1nc2ccccc2s1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 247760761 HFRIFKFQQYDGPT-YESZJQIVSA-N 356.535 5.094 0 50 FKAA CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](N)(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 263621517 KAASKSVTHCKDCH-GDNRSPBLSA-N 373.518 6.008 0 50 FKAA CC(C)[C@@H]1C[C@H](CN[C@@H](C)c2cc(Cl)ccc2OC(F)F)CCO1 1875329636 AYHXYZCCVGGDAK-AHIWAGSCSA-N 361.860 5.043 0 50 FKAA Cc1ccccc1-c1nc2cc(NC(=O)CSc3ccccc3)ccc2o1 692715 AVPJJXROVPSNBA-UHFFFAOYSA-N 374.465 5.534 0 50 FKAA Clc1cc2c(cc1-c1nc(-c3ccccc3)c(-c3ccccc3)[nH]1)OCO2 832921 XRRZWOIORDNDQX-UHFFFAOYSA-N 374.827 5.793 0 50 FKAA O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCc2ccccc21 1085432 JQEJVVVPJGTRHU-JOCHJYFZSA-N 359.494 5.499 0 50 FKAA COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 1164802 MBTAAFDCZCBTLZ-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA COc1cc(CNc2ccc3c(c2)CCC3)ccc1OCc1ccccc1 1229391 MVHBDUPDXAXQEG-UHFFFAOYSA-N 359.469 5.375 0 50 FKAA Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C 1667592 HXIQYSLFEXIOAV-UHFFFAOYSA-N 358.547 6.461 0 50 FKAA biogenic,in-vitro O=c1oc2cc(OCc3cccc4ccccc34)ccc2c2c1CCCC2 1960622 MXEYCCSDTGVDLZ-UHFFFAOYSA-N 356.421 5.404 0 50 FKAA CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2832458 CSHJDXDOBCFJJT-STQMWFEESA-N 366.288 5.913 0 50 FKAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 2837905 PUZBQFZUVOFGBV-OAHLLOKOSA-N 367.901 6.126 0 50 FKAA S=C(c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CCCC1 2866523 XBYKGCDQUSWHSE-UHFFFAOYSA-N 366.313 5.344 0 50 FKAA Cc1c(OCc2cccc(F)c2)ccc2c(-c3ccccc3)cc(=O)oc12 2986393 VLRUVYQMDKNYNH-UHFFFAOYSA-N 360.384 5.487 0 50 FKAA COc1ccc(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1 5060065 IFPNSRKYRUXYHX-NRFANRHFSA-N 365.860 5.775 0 50 FKAA OC(CNCc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365325 ZYKQHJJHAYFFNG-UHFFFAOYSA-N 372.295 5.019 0 50 FKAA Nc1ccc(-c2ccc(Nc3ccc(-c4ccc(Cl)cc4)nn3)cc2)cc1 43199412 ABGCSSPCKSVMHI-UHFFFAOYSA-N 372.859 5.790 0 50 FKAA Brc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 60141037 LETHNKDTJWYRTF-UHFFFAOYSA-N 352.275 5.656 0 50 FKAA in-vitro CCCCC(C(=O)N1CC[C@@H](CC)[C@@H]1C)(c1ccccc1)c1ccccc1 2325817701 OJYMDVAFVMCBQF-LEWJYISDSA-N 363.545 5.810 0 50 FKAA Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)c(C)c1 631088 AVNNVMXJUQVGKL-UHFFFAOYSA-N 372.468 5.425 0 50 FKAA COc1ccc([C@@]2(C)CCc3oc4ccccc4c3-c3oc(C)cc32)cc1 759139 LTYILOHSLAANKL-XMMPIXPASA-N 358.437 6.262 0 50 FKAA biogenic Cc1cc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)oc2cc1C 989703 TXXDWHVFDMQBBA-UHFFFAOYSA-N 356.425 5.293 0 50 FKAA Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccncc2)cc1 1302574 YCQQCNWTLKQVLR-UHFFFAOYSA-N 372.497 5.238 0 50 FKAA COC(=O)c1ccc(-c2nc(OCc3ccc(Cl)cc3)c(C)s2)cc1 1385776 NCLJGKLCLHRENL-UHFFFAOYSA-N 373.861 5.138 0 50 FKAA COc1ccccc1/C=C/c1nc2ccccc2n1CCOc1ccccc1 3904666 CVTQOJZHPKNFQP-FOCLMDBBSA-N 370.452 5.294 0 50 FKAA CCOc1ccc(C(F)(F)F)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 4664032 UHDKLMQTMDMXIY-UHFFFAOYSA-N 367.411 5.259 0 50 FKAA O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 225406309 KLPRTZBSMHIVOM-PCCRXHMLSA-N 357.460 5.172 0 50 FKAA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cc1 641263 BOAPMRUGDGAUSZ-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)c1cccs1 1017497 LAXSISFPQQNZKD-UHFFFAOYSA-N 366.511 5.059 0 50 FKAA c1ccc(-n2c(SCc3nc4ccccc4[nH]3)nc3ccccc32)cc1 1084990 ILKXYHQDIHVUQA-UHFFFAOYSA-N 356.454 5.194 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 2081475 IGWVZWNEQDGLFY-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA O=C1N/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 4644064 GBMNUMBDTAPISZ-DEDYPNTBSA-N 374.827 5.104 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 4843312 OKAJWIDCRAWBAG-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA CC(=O)c1c(Nc2ccccc2Cl)nc(-c2ccccc2)[nH]c1=S 4949189 NMYFLMMJYFYTBC-UHFFFAOYSA-N 355.850 5.406 0 50 FKAA Cc1ccc([C@](O)(c2ccccc2)c2ccccc2[C@@H](C)N(C)C)c(C)c1 5008623 CBZLKJDOSMRWOF-CJFMBICVSA-N 359.513 5.210 0 50 FKAA Cc1cc(OCc2cccc3ccccc23)c2c3c(c(=O)oc2c1)CCC3 5235497 PFPHSOOSJBKPAT-UHFFFAOYSA-N 356.421 5.322 0 50 FKAA Cc1csc([C@@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)oc2C)n1 15075613 KIONNQWLZCCRLP-GFCCVEGCSA-N 361.898 5.261 0 50 FKAA Cc1ccc(Cn2nc(C)c3c(C(F)F)cc(-c4cccs4)nc32)cc1 20602755 TYSKMYVMZBPMDC-UHFFFAOYSA-N 369.440 5.763 0 50 FKAA Cc1ccc(C)c(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1 23281321 FXKWSMRXYLFDAR-UHFFFAOYSA-N 370.540 5.258 0 50 FKAA CC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c2ccccc21 195845173 VELAHBNAGHGPNP-UHFFFAOYSA-N 352.392 6.427 0 50 FKAA in-vitro Cc1ccc2nc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)sc2c1 2879085 QNZROSKLRRNZMK-UHFFFAOYSA-N 370.861 5.873 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 4031305 KVYUHOPVUTYJPS-TXCSNJEZSA-N 361.460 5.125 0 50 FKAA O=C(c1ccccc1)n1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 4531444 UWTIASCCXIGWTC-GYHWCHFESA-N 374.440 5.277 0 50 FKAA Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1 4532227 KKECDGXMCKMRRM-QFIPXVFZSA-N 356.425 5.049 0 50 FKAA COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 4931606 PJIWNIVXEPPPQM-QFIPXVFZSA-N 362.860 5.704 0 50 FKAA Cc1ccc([C@]2(CCN[C@H](C)c3cccs3)CCO[C@H](C(C)C)C2)cc1 6173529 CGUCFXKLVWDOLG-UNWVZKJWSA-N 371.590 5.870 0 50 FKAA CC(C)(C)c1cc(/C=C/NC(=O)c2ccccc2)cc(C(C)(C)C)c1O 17043892 OQYCMWLXXMQMMG-OUKQBFOZSA-N 351.490 5.388 0 50 FKAA C[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)[C@@H]1O 245312902 YOCSCRSTBWZYLM-QRODRDHMSA-N 350.289 5.012 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(C)[C@@H]3CC[C@]12C 256990237 YWHWYTRNKBGSRE-HMBQRPAUSA-N 370.665 8.418 0 50 FKAA COc1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 863026 ZTJOUNJDJBPVQS-UHFFFAOYSA-N 352.242 5.469 0 50 FKAA O=C(Nc1cccc2ccccc12)c1ccc(COc2ccccc2)cc1 1141028 HVESLAPKWQDJLL-UHFFFAOYSA-N 353.421 5.671 0 50 FKAA CCCN(CCC)C(=O)C[C@@H](c1ccccc1)c1cc(C)c(C)cc1O 1158168 LEHDXMSCGOSOHA-FQEVSTJZSA-N 353.506 5.180 0 50 FKAA O=C(Nc1ccc(F)cc1F)[C@@H](Sc1ccccc1)c1ccccc1 1183021 VCIBSFYRVLUJKL-IBGZPJMESA-N 355.409 5.437 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 2872400 NDHAAQFRQFZWCI-UHFFFAOYSA-N 361.510 6.156 0 50 FKAA CCCCP(=O)(CCCC)CCP(=O)(CCCC)CCCC 4949875 XFXTZEPJOXEMGO-UHFFFAOYSA-N 350.464 6.913 0 50 FKAA c1ccc(COc2cccc(CN3CCCC[C@H]3c3cccnc3)c2)cc1 4982705 HJAVYFOXCQXYAV-DEOSSOPVSA-N 358.485 5.388 0 50 FKAA CCOP(=O)(OCC)O/C(=C\Cl)c1ccc(Cl)cc1Cl 13531994 FSAVDKDHPDSCTO-WQLSENKSSA-N 359.573 5.728 0 50 FKAA in-man CCc1ccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(C)n2)o1 20255339 AWUVDUXLGATYQP-DEOSSOPVSA-N 371.484 5.174 0 50 FKAA CC[C@H](C)Oc1ccccc1-c1csc(-c2nc(C(=O)O)cs2)c1 2325867228 OXMGAZLNQUYWAQ-NSHDSACASA-N 359.472 5.414 0 50 FKAA CC(=O)Oc1ccc(OC(C)=O)c2c1[C@H]1CCCCC1=C1CCCC[C@@H]12 642092 LMPWZOZGXUOXGK-ROUUACIJSA-N 354.446 5.163 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c(C)c1 1859536 ODLBGXYHCZKKRJ-UHFFFAOYSA-N 372.493 6.141 0 50 FKAA O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 2141542 QEWMWAWABZUQOO-UHFFFAOYSA-N 363.166 5.334 0 50 FKAA CCOc1ccc([C@H](Nc2ccc(C)cc2)P2(=O)OCCCO2)cc1 2810180 DYIMYPDCXCSYMB-LJQANCHMSA-N 361.378 5.134 0 50 FKAA CC1=NN(c2nc3ccccc3s2)C(=O)[C@H]1Cc1cccc2ccccc12 4776932 OFNBSFMFHMXOJD-SFHVURJKSA-N 371.465 5.031 0 50 FKAA Oc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1Cl 4978784 IENZXJGVGSBMET-UHFFFAOYSA-N 372.855 6.188 0 50 FKAA Clc1ccc(COc2ccc(CNCc3ccncc3)cc2)c(Cl)c1 6704084 DSLGBNKSGUYDCM-UHFFFAOYSA-N 373.283 5.257 0 50 FKAA O=C(OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 43191296 LPJMPIKURKNPQJ-UHFFFAOYSA-N 350.028 5.657 0 50 FKAA CC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3CCc4c(C)ccc(Cl)c4[C@@H]3CC[C@@]21C 215970211 CLRZSUROXBJNDN-SCFBQEJPSA-N 360.925 5.826 0 50 FKAA CC(=O)Nc1ccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1 843949 APWBDBSQXBISMO-UHFFFAOYSA-N 368.440 5.307 0 50 FKAA Cc1ccc(NC(=O)CSCc2c(Cl)ccc(Cl)c2Cl)cc1 958770 XQCXWFVTYAJGJA-UHFFFAOYSA-N 374.720 5.827 0 50 FKAA COc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1 1022215 YCDQOFAPBXCVRA-UHFFFAOYSA-N 351.258 5.869 0 50 FKAA CCc1cccc(CC)c1NC(=O)COc1ccc(Cl)c2ccccc12 1140998 XFXZYXQDYFTEOU-UHFFFAOYSA-N 367.876 5.636 0 50 FKAA COc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2c1C 1157122 PKHHCJREYFDCFB-UHFFFAOYSA-N 368.282 5.060 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 1195360 ODBQQAVJRANUCN-UHFFFAOYSA-N 358.397 5.146 0 50 FKAA c1ccc(C[C@@H](NC2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 2498939 KUPNFLQNVACLQP-AREMUKBSSA-N 370.540 5.225 0 50 FKAA Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cl 2779520 JABBTFXCZXBLDS-UHFFFAOYSA-N 372.679 5.753 0 50 FKAA COc1ccc(/C=C/C(=O)NC2CCCCCCCCCCC2)cc1OC 4036943 FUQTYYWTSVLZMW-BMRADRMJSA-N 373.537 5.507 0 50 FKAA biogenic Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1C1(CCCCC1)O2 4715944 OLPYYYJSNDRDOA-MRXNPFEDSA-N 358.894 5.605 0 50 FKAA Cc1c(Br)cccc1NC(=O)c1cccc(C(F)(F)F)c1 6470017 YEHOZRLCRQLMPE-UHFFFAOYSA-N 358.157 5.029 0 50 FKAA O=P(OCC(F)(F)C(F)F)(Oc1ccccc1)Oc1ccccc1 22203632 WXSKGCXXUQHGFS-UHFFFAOYSA-N 364.231 5.170 0 50 FKAA C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@H](C)c1nc(C2CCCCC2)no1 1875357721 UHIBWVBBEXMYNI-DLBZAZTESA-N 367.537 5.278 0 50 FKAA O=C(N[C@@H]1c2ccccc2C2CC1C2)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325866295 GVSPTTNNSVKHOM-AVXXVXFESA-N 366.892 5.134 0 50 FKAA Cc1ccc(Sc2c(C)nn(C(=O)c3ccc(Cl)cc3)c2C)cc1 625365 JDZZFWFPYSMQCH-UHFFFAOYSA-N 356.878 5.301 0 50 FKAA O=C(CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1Cl 937676 UBOQYXDVWBHPGM-UHFFFAOYSA-N 369.298 5.334 0 50 FKAA Cc1ccccc1OCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1170027 JYQSOEIFNJWKOW-UHFFFAOYSA-N 367.832 5.458 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1 1312020 XXJSYTNDWNRBDS-UHFFFAOYSA-N 370.374 5.617 0 50 FKAA CCc1cccc(C)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 1773494 SBLAQUOUGIFOFF-UHFFFAOYSA-N 353.506 5.653 0 50 FKAA CCOc1ccc(Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 2495066 WAKBRGZCHDBXNP-UHFFFAOYSA-N 352.503 6.151 0 50 FKAA O=C(CCSc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 2851204 KALQNDLRSCQCHT-UHFFFAOYSA-N 359.800 5.480 0 50 FKAA CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 2853534 ZEICBZKNMLDQQE-GFCCVEGCSA-N 368.424 5.152 0 50 FKAA CC(C)(C)c1ccccc1OCCCCCOc1ccccc1C(C)(C)C 2880612 IDMGIBMUKMIRBO-UHFFFAOYSA-N 368.561 6.910 0 50 FKAA O=C(NCC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 3123433 YHWYWTLMPPJNIH-UHFFFAOYSA-N 350.849 5.294 0 50 FKAA c1ccc(-c2cc(-c3ccccc3)[n+](C3CC3)c3c2CCc2ccccc2-3)cc1 5490607 XCOHGMHRRKBAGF-UHFFFAOYSA-N 374.507 6.409 0 50 FKAA Cc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)c2ccc(F)cc2n1 82157301 BXYOWWQLKVIZBS-IBGZPJMESA-N 352.409 5.033 0 50 FKAA COc1ccc(C(=O)c2ncc(C(F)(F)F)cc2-c2ccccc2)cc1 263639617 ALOOWRPJINOMHW-UHFFFAOYSA-N 357.331 5.007 0 50 FKAA Cc1cccc(C(=O)N(Cc2cccc3ccccc23)c2ccccn2)c1 1857799086 NHXGDDOIAGVJJN-UHFFFAOYSA-N 352.437 5.390 0 50 FKAA COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C(C)C 822166 JQRXBQRCJCKCCG-UHFFFAOYSA-N 365.545 5.452 0 50 FKAA O=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 852048 HDAHLTKOXVYKJO-SDNWHVSQSA-N 373.843 5.307 0 50 FKAA COc1ccc(/C=C(/C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 1146937 SEYYEYZSWVGWQN-XQNSMLJCSA-N 357.453 5.491 0 50 FKAA COc1cccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1 1208833 GEZKWZOYHXAEHF-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 1446686 MUUIXJYBLNLFLH-FNORWQNLSA-N 360.162 5.664 0 50 FKAA c1ccc2cc(Nc3ccc(Nc4ccc5ccccc5c4)cc3)ccc2c1 1666749 VETPHHXZEJAYOB-UHFFFAOYSA-N 360.460 7.480 0 50 FKAA in-vitro CCOC(=O)c1ccc(NC(=O)Sc2ccc(C(C)(C)C)cc2C)cc1 1753371 IQRLYDRRCWMMIY-UHFFFAOYSA-N 371.502 5.793 0 50 FKAA Clc1cccc(OCCCCOc2cccc3cccnc23)c1Cl 2986851 FKRDSHZEYQMVTQ-UHFFFAOYSA-N 362.256 5.780 0 50 FKAA COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)cc1 4842011 AZPKCNIPXZPAOH-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA Cc1cccc2c1N(CC1CC1)CC[C@@H](c1ccc3c(c1)OCO3)S2 12038479 ASWDZMZJIGMOES-IBGZPJMESA-N 353.487 5.177 0 50 FKAA Clc1ccc([C@@H]2CN(Cc3cc4ccccc4[nH]3)CCO2)cc1Cl 71405857 HLGRHPQVZDXDAF-IBGZPJMESA-N 361.272 5.048 0 50 FKAA CC(C)c1ccc(-c2ncc(CN3CCC[C@@H](CCC(=O)O)C3)s2)cc1 263135905 NPBDBOSROXXRBN-INIZCTEOSA-N 372.534 5.010 0 50 FKAA Cc1ccccc1C(=O)N(Cc1cccc2ccccc12)c1ccccn1 1857799039 LDHQHXRWRBZNTR-UHFFFAOYSA-N 352.437 5.390 0 50 FKAA COCCn1cc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cn1 1875340251 SCWLIIZVPWEHCU-UHFFFAOYSA-N 362.351 5.008 0 50 FKAA CCC[C@H](N[C@@H]1[C@@H]2CCCCN[C@H]21)c1ccc(Oc2ccccc2)cc1 2325822279 NYUHMUHABUFOKY-KAOXLYBCSA-N 350.506 5.050 0 50 FKAA Cc1cc(C)c(NC(=O)c2ccccc2CCc2ccccc2)c(Cl)c1 1777579 RLRLJMADCBSOCK-UHFFFAOYSA-N 363.888 5.994 0 50 FKAA C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 4256395 DNSNAOJLRSTWPF-JTHBVZDNSA-N 374.871 5.756 0 50 FKAA Cc1cc(NCc2cccc3ccccc23)ccc1NC(=O)c1ccco1 4841511 SDRBOCWGTAUBFR-UHFFFAOYSA-N 356.425 5.606 0 50 FKAA CCOc1ccc(C2(c3ccc(OCC)cc3)CC2(Cl)Cl)cc1 5650956 CFUHLQNLZGRFTB-UHFFFAOYSA-N 351.273 5.348 0 50 FKAA O=C(O)c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2Cl)n1 5680049 XDDXXIAHWIDBET-UHFFFAOYSA-N 367.619 5.198 0 50 FKAA O=c1c(-c2ccc(Oc3ccccc3)cc2)c(O)[nH]c2ccc(Cl)cc12 5819239 ZZBPSVKOAMZSQI-UHFFFAOYSA-N 363.800 5.346 0 50 FKAA Cc1ccnc(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)c1 6276364 SMUQYNYRZINBCL-UHFFFAOYSA-N 368.792 5.112 0 50 FKAA O=C(c1ccc(Cl)cc1)C1CCN(C[C@H]2CCCC(F)(F)C2)CC1 225770052 MVQGOELRURBIEX-AWEZNQCLSA-N 355.856 5.060 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1Cl 640982 AFRCHDJRCIEGIU-UHFFFAOYSA-N 364.832 5.523 0 50 FKAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1F 830059 QEOLRMLXGDRJJM-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)NCCc3ccccc3)cc2)cc1 1049342 RYXLQEQFTJLYDV-UHFFFAOYSA-N 361.510 5.260 0 50 FKAA CC(C)(C)c1ccc(OCC(=O)N(c2ccccn2)C2CCCCC2)cc1 1111541 RUGNAKUECNTJJL-UHFFFAOYSA-N 366.505 5.124 0 50 FKAA CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(=O)O)cc2)cc1 1761800 OGNYKSZIFQUMPV-UHFFFAOYSA-N 370.489 5.556 0 50 FKAA C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 2096169 CJNRLRQFUWGYEX-CYBMUJFWSA-N 352.261 5.030 0 50 FKAA CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2ccccc2)cc1 2815426 CIBSYIAJQYTMDL-SDNWHVSQSA-N 353.531 5.047 0 50 FKAA CCc1ccc(-c2nc3ccccc3c(C(=O)N3CCCCCC3)c2C)cc1 2867726 BIUSVVLFZVJDMA-UHFFFAOYSA-N 372.512 5.789 0 50 FKAA O=C(Nc1cccc2ccccc12)[C@]1(c2ccccc2)CC1(Cl)Cl 2976935 JVJQZMKSJXMQTP-LJQANCHMSA-N 356.252 5.294 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1c2c(nc3ccccc13)CCCC2 4542255 GMSBVHZMBLNZQX-UHFFFAOYSA-N 371.267 5.673 0 50 FKAA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc2ccccc2o1 4853212 KIHOFSYLWJBRDR-UHFFFAOYSA-N 354.365 5.493 0 50 FKAA Cc1ccc([C@@H](CCN[C@H](C)c2ccc(Cl)cc2)c2ccco2)cc1 4872643 PEGLORYKIOVUDR-DYESRHJHSA-N 353.893 6.114 0 50 FKAA Cc1ccc(C)c(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)c1 6401267 XWVFQAHKBBOWBP-UHFFFAOYSA-N 367.452 5.474 0 50 FKAA Cc1c[nH]c(CN2CC[C@H](c3ccc(F)c(F)c3)Sc3ccccc32)n1 12217439 DGXRLCLIQUWPMR-GOSISDBHSA-N 371.456 5.240 0 50 FKAA CCCCCCOc1ccc(CN2CCCC[C@@H]2c2cccnc2)cc1 22078425 FTFVBXGIVHJRDK-HSZRJFAPSA-N 352.522 5.768 0 50 FKAA COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 25572742 CCEMWVCESFFVSW-NFBKMPQASA-N 374.415 5.077 0 50 FKAA CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21 34512600 LLAXDWLRVWTADE-UHFFFAOYSA-N 361.488 7.463 0 50 FKAA O=C(NCc1cccc(Oc2ccccc2)c1)c1cc(O)c2ccccc2c1 1875279491 OTJBAQCGCIQJHD-UHFFFAOYSA-N 369.420 5.268 0 50 FKAA C[C@H]1SC2(CCCCC2)N(c2ccc(Nc3ccccc3)cc2)C1=O 1875281536 GORGTCGOVPVPOP-MRXNPFEDSA-N 352.503 5.559 0 50 FKAA CO[C@H](C(=O)N(C)[C@H](C)c1cccc2ccccc12)c1cc(F)cc(F)c1 2325828403 GEWSWXPEDHNTJO-SZNDQCEHSA-N 369.411 5.025 0 50 FKAA COc1ccc2c(c1)NC(C)(C)c1sn(-c3ccccc3)c(=S)c1-2 686899 IRFISIFJHLNPJZ-UHFFFAOYSA-N 354.500 5.604 0 50 FKAA COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)cs2)cc1OC 948660 ATCNJCFMESTHEN-UHFFFAOYSA-N 350.443 5.284 0 50 FKAA Cc1cccc(NC(=O)c2ccccc2NC(=O)CCc2ccccc2)c1C 1170096 VXHVNLUMFPHTDY-UHFFFAOYSA-N 372.468 5.127 0 50 FKAA Cc1cc(F)ccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 7751147 XPCSLWQPAYNURW-UHFFFAOYSA-N 365.433 5.095 0 50 FKAA CC(C)(C)[C@H]1CCc2sc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2C1 17076148 FYOFKRPANDNVRL-OFSFZPRKSA-N 371.590 5.454 0 50 FKAA O=C(/C=C\c1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 22108832 KEPUJXZNJIBABY-YPKPFQOOSA-N 356.450 5.615 0 50 FKAA COc1ccccc1-n1cccc1P(C1CCCCC1)C1CCCCC1 40450109 JUZAKZRALSJLOV-UHFFFAOYSA-N 369.489 6.259 0 50 FKAA C/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)ccc1O 106942873 CYVDGZYJHHYIIU-GXHLCREISA-N 364.059 5.842 0 50 FKAA COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257350677 ZFTMPARDUAODSX-OQXLWILESA-N 360.538 5.024 0 50 FKAA O=C(Nc1scnc1C1CC1)[C@]1(Cc2ccccc2)CCc2ccccc21 1875338053 MQMSGUZNXIYUAF-QHCPKHFHSA-N 374.509 5.086 0 50 FKAA O=C1CCCc2cc(NCc3cccc4nc(C(F)F)sc34)ccc2N1 2325777471 DFMJJPWRPMKHOP-UHFFFAOYSA-N 373.428 5.121 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 640527 QTJZUZAPBCEYJS-UHFFFAOYSA-N 364.876 5.883 0 50 FKAA CC(=O)Oc1c(C(C)C)cc(N(C(C)=O)c2ccccc2)cc1C(C)C 825937 UMFWAURYJZMWGE-UHFFFAOYSA-N 353.462 5.543 0 50 FKAA COC(=O)c1ccc(Nc2nc(-c3ccc(C)cc3C)c(C)s2)cc1 845833 KZZKCSOQIVGZDM-UHFFFAOYSA-N 352.459 5.266 0 50 FKAA CCC[C@@H](C)c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 1049271 DXDJEKWFMCNXGC-SECBINFHSA-N 365.911 5.562 0 50 FKAA C[C@@H](C(=O)Nc1ccc(Br)c2ccccc12)c1ccccc1 1139165 YKLUTUDQXJUJHP-CYBMUJFWSA-N 354.247 5.345 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc2ccccc12 1170322 LFUCWOYLYPQBSU-UHFFFAOYSA-N 353.421 5.671 0 50 FKAA Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 1180206 OQXGKUVBMGOWRF-UHFFFAOYSA-N 360.240 6.123 0 50 FKAA Cc1cc(CNC(=O)c2sc3ccccc3c2Cl)c2ccccc2n1 1422057 HROXWODLJLLRBC-UHFFFAOYSA-N 366.873 5.341 0 50 FKAA O=C(Oc1ccc(-c2nccc(-c3cccs3)n2)cc1)C1CCCCC1 4060656 ITBLLTHDOOMAIF-UHFFFAOYSA-N 364.470 5.358 0 50 FKAA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 4854073 OEVWYONPPNWYTA-UPVQGACJSA-N 354.453 5.546 0 50 FKAA COc1ccc(N[P@](C)(=O)O[C@@H](c2ccccc2)C(F)(F)F)cc1 4952048 QTJGMRADBUCYDH-IZHWHUGBSA-N 359.284 5.250 0 50 FKAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2OC)C1 5916796 QDTXVFLCTZQACX-CYBMUJFWSA-N 372.534 5.132 0 50 FKAA CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 6048680 RXMOJBPBYPRQPX-URXFXBBRSA-N 370.452 5.328 0 50 FKAA CCn1nc(C)c(CN2CCc3c([nH]c4ccccc34)[C@@H]2C(C)(C)C)c1C 11842664 COIXADGTSRVNFP-JOCHJYFZSA-N 364.537 5.147 0 50 FKAA Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)cc1 42451703 BJAMWZFYUDJVRT-GOSISDBHSA-N 374.463 5.077 0 50 FKAA CN1CCCC[C@@H](n2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)C1 96032822 VNSNHIFBQMRMRE-MRXNPFEDSA-N 352.522 5.163 0 50 FKAA biogenic,in-vitro Cc1ccc(C)c(N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 97053527 YPEYIXYQKUKTIY-UHFFFAOYSA-N 372.512 5.418 0 50 FKAA CCC(CC)(C1=N[C@H](c2ccccc2)CO1)C1=N[C@H](c2ccccc2)CO1 214711278 BNXRFQRNRLGVCV-PMACEKPBSA-N 362.473 5.133 0 50 FKAA O=C(c1ccccc1)N1c2ccccc2C=C[C@H]1c1cc2ccccc2[nH]1 754880 MKABYDZHOIAGTC-QHCPKHFHSA-N 350.421 5.583 0 50 FKAA CCOc1ccc(-c2nc(NC(=O)c3ccccc3Cl)sc2C)cc1 1180239 PVUJLIADVHZYHT-UHFFFAOYSA-N 372.877 5.423 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1C 1219048 LCEICNVVXWYYHX-UHFFFAOYSA-N 357.413 5.067 0 50 FKAA CCCCOc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 2054790 HIDPWWSESOKMRC-UHFFFAOYSA-N 373.250 5.345 0 50 FKAA Cc1ccc(-c2nnc(-c3cccc(NC(=O)c4cccs4)c3)o2)cc1 2850470 WEQCEAFAVKPQNO-UHFFFAOYSA-N 361.426 5.026 0 50 FKAA COc1cc(C=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C 2877711 FCIBOAQXAWQYIM-UHFFFAOYSA-N 362.853 5.051 0 50 FKAA O=C(/C=C/c1ccccc1Cl)Nc1cc(Cl)c(Cl)cc1Cl 2951251 WELYRAOJCPWHPZ-AATRIKPKSA-N 361.055 5.952 0 50 FKAA COc1ccc([C@H](CCNCc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4029208 YWTIARYUAOPLGM-GGAORHGYSA-N 367.533 5.164 0 50 FKAA biogenic CCCC[C@H](CC)COC(=O)CCCC(=O)OC[C@@H](CC)CCCC 5515074 ABXLQQAKBRIHIT-OALUTQOASA-N 356.547 5.676 0 50 FKAA CCC[C@H]1OC(c2ccccc2)(c2ccccc2)c2ccccc2N1C(C)=O 22016950 FYSNHIATBOJRNX-XMMPIXPASA-N 371.480 5.488 0 50 FKAA CC1=CC[C@@H]2C3(CC[C@]2(C)C(=O)[C@@H]2C(=C(C)C)C=C[C@H]12)SCCS3 71786310 FQPRVEUBEKIYCS-RMJJICAUSA-N 360.588 5.637 0 50 FKAA Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1C 1123083 WSMZCYBJRJFKLM-UHFFFAOYSA-N 368.527 5.162 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nc2c1 1207744 UVNQNSWGQUTXLT-UHFFFAOYSA-N 360.388 5.449 0 50 FKAA CCCCNc1ncnc2c1sc1nc3c(cc12)CSC(C)(C)C3 2253814 QUTOGWDGZCMKAE-UHFFFAOYSA-N 358.536 5.019 0 50 FKAA Cc1ccc(Cn2nc(C)c(NC(=O)Nc3cccc(C)c3C)c2C)cc1 13331527 MPAJDNPETVDUAA-UHFFFAOYSA-N 362.477 5.118 0 50 FKAA Fc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(CCCc2ccccc2)C1 14986440 KXPDNPLEAOZGFQ-LJQANCHMSA-N 363.480 5.028 0 50 FKAA O=C(Nc1ccc2c(c1)CCC2)N(Cc1ccccc1)Cc1ccccc1 20522334 LCDGPHRXDRRLRQ-UHFFFAOYSA-N 356.469 5.410 0 50 FKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1 242437542 CFJCNWQXOICKIF-VVPTUSLJSA-N 364.520 7.244 0 50 FKAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 494043197 YZBDHRDBHVLASP-HOTGVXAUSA-N 367.798 5.121 0 50 FKAA CCOc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)cc1 1025800 QHOAHHILQWLXIF-UHFFFAOYSA-N 364.474 5.217 0 50 FKAA COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1OC 1132653 SPRVJFPGPQHQQX-UHFFFAOYSA-N 358.397 5.088 0 50 FKAA S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CCCC1 1153482 DVRIZDAOTZPCKP-UHFFFAOYSA-N 366.313 5.344 0 50 FKAA CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2ccc(Cl)cc2)CC1 1225986 BFMMLRRYPWMKCR-UHFFFAOYSA-N 365.901 5.207 0 50 FKAA Cc1c(Cl)cccc1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 1231133 ZLTNMFDQTUMGNO-LJQANCHMSA-N 361.872 5.593 0 50 FKAA CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 2274726 GTAXMNDJSMIJTH-UHFFFAOYSA-N 370.543 5.218 0 50 FKAA O=C(NCCOc1cccc2ccccc12)Nc1cccc2ccccc12 2870119 MZELLDVTCCIDCD-UHFFFAOYSA-N 356.425 5.194 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NCC[C@]4(C)[C@H]3CC[C@]12C 252441353 SAWPPQLIWVGNDH-YBROCEJWSA-N 359.642 6.670 0 50 FKAA biogenic O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc2ccccc12 632805 YYCNENZGFQKLSU-UHFFFAOYSA-N 354.409 6.276 0 50 FKAA Cc1c(NC(=O)/C=C/c2ccco2)cccc1-c1nc2ccccc2s1 1216406 RPKYJGRDYHWACP-VAWYXSNFSA-N 360.438 5.517 0 50 FKAA COc1ccc(Cl)cc1Nc1nc(-c2ccc3ccccc3c2)cs1 2561890 JZFHQQNYLCBULK-UHFFFAOYSA-N 366.873 6.369 0 50 FKAA Cc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)O)s2)cc1 2998702 WNSYAXZQUBZRIY-UHFFFAOYSA-N 366.486 5.613 0 50 FKAA Cc1c(NC(=O)c2ccccc2F)cccc1-c1nc2ccccc2s1 3002457 WZBIVDMVJXPVLU-UHFFFAOYSA-N 362.429 5.663 0 50 FKAA Cc1[nH]c2ccccc2c1C(c1ccncc1)c1c(C)[nH]c2ccccc12 4140789 XFIUKWBRTXWBQT-UHFFFAOYSA-N 351.453 5.841 0 50 FKAA Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(C)c1 4542954 PRIRYYSGSIPODI-FMIVXFBMSA-N 351.833 5.869 0 50 FKAA CC[C@H](NC(=O)c1csc2c1CCCC2)C12CC3CC(CC(C3)C1)C2 4651011 RLNMYGLAWCFRHT-KNBKFLTOSA-N 357.563 5.352 0 50 FKAA Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1Cl 4673405 YEEPKPDKIQPNND-HXUWFJFHSA-N 367.901 6.121 0 50 FKAA Cc1ccc([C@]2(CCN[C@@H](C)c3cccs3)CCO[C@@H](C(C)C)C2)cc1 5032900 CGUCFXKLVWDOLG-XKCSPQBFSA-N 371.590 5.870 0 50 FKAA C=C[n+]1c(-c2ccccc2)cc(-c2ccccc2)c2c1-c1ccccc1CC2 5283239 IXROMOZKRYJJKQ-UHFFFAOYSA-N 360.480 6.174 0 50 FKAA Cc1c([C@@H](C)NCc2ccc(-c3ccco3)cc2)cnn1-c1ccccc1 12582685 VDIJBCSQRGFTFK-QGZVFWFLSA-N 357.457 5.292 0 50 FKAA COc1cc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)cc(OC)c1 15867113 CEWUXKTXAGBBMM-GOSISDBHSA-N 374.506 5.223 0 50 FKAA COc1ccc([C@@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@@H](c4ccccc4)N23)cc1 25586426 HMZHNFLAEYLLKZ-ZZOOTDKOSA-N 374.871 5.276 0 50 FKAA CC[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 36562667 KVIFIUCAAVFZOZ-QGZVFWFLSA-N 360.482 6.150 0 50 FKAA CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2sc(C)nc2C)cc1 426693887 VIRISGQKFPYIOL-IBGZPJMESA-N 365.502 5.045 0 50 FKAA Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)c2ccccc12 1875319051 PCCUSSVUVSHXQX-UHFFFAOYSA-N 366.269 5.256 0 50 FKAA CCCCC(C(=O)N1CC[C@H](CC)[C@H]1C)(c1ccccc1)c1ccccc1 2325817703 OJYMDVAFVMCBQF-RTWAWAEBSA-N 363.545 5.810 0 50 FKAA Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 692486 BIJWMUXRICSZKZ-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 1183204 MPKOAZRDWSNZBQ-UHFFFAOYSA-N 366.873 5.134 0 50 FKAA CCc1ccc(NC2=C3CCCCC=C3N(c3ccc(CC)cc3)C2=O)cc1 1422810 NWYHDCPXEUMGIU-UHFFFAOYSA-N 372.512 5.982 0 50 FKAA Cc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c2ccccc12 2752831 NWZQNDULJNZTHW-PXLXIMEGSA-N 369.464 5.790 0 50 FKAA CCc1c(C(=O)Nc2nc(-c3cc(C)ccc3C)c(C)s2)csc1C 2754936 OQDDAZVHJSCKFR-UHFFFAOYSA-N 370.543 5.920 0 50 FKAA O=C(Nc1ccccc1)N(Cc1cccc(Cl)c1)C[C@@H]1CC=CCC1 2769568 YJFSCXWPZIIMSR-QGZVFWFLSA-N 354.881 5.730 0 50 FKAA O=C1C[C@H](c2ccc(Br)s2)c2ccc3ccccc3c2N1 2908977 FEGBKZGEVCTBNC-ZDUSSCGKSA-N 358.260 5.138 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 4873218 KURGVKCHBFOSBV-KBPBESRZSA-N 374.189 5.231 0 50 FKAA Cc1nc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)cs1 5234171 UPMZEORHOQOFBL-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)cc1 6127791 UPFAZVRPKZDUQP-JTHBVZDNSA-N 374.415 5.077 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1 20603116 ITCKDMGXSKFIMU-UHFFFAOYSA-N 353.347 5.473 0 50 FKAA CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 28710494 RSUMDJRTAFBISX-UHFFFAOYSA-N 368.476 6.793 0 50 FKAA in-vitro FC(F)(F)[C@H](N[C@@H]1CCCc2ncccc21)c1ccc2ccccc2c1 2325828573 LEYKEBTUAFAZJW-WOJBJXKFSA-N 356.391 5.505 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)Oc1ccc(Cl)c2cccnc12 640627 ZPBZKIFOROQIAZ-UHFFFAOYSA-N 367.619 5.806 0 50 FKAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1 676864 MVRCDBPSXMIEBF-GOSISDBHSA-N 374.484 5.961 0 50 FKAA Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 830076 MKSJPJSSIYLCHA-UHFFFAOYSA-N 360.438 5.230 0 50 FKAA Cc1ccc(NC(=O)c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 957937 DTCNPAKXMSYBNH-UHFFFAOYSA-N 365.816 5.120 0 50 FKAA O=C(Nc1ccc2c3c(cccc13)CC2)c1sc2ccccc2c1Cl 1185596 ZWPMQIQVUDGUCF-UHFFFAOYSA-N 363.869 6.059 0 50 FKAA COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C)c2c1 1226808 XCRLDOHJSFJLMW-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA CC(C)(C)c1ccc(OCCCC(=O)Nc2nc3ccccc3s2)cc1 1773528 QHCRHIGSNMSYGU-UHFFFAOYSA-N 368.502 5.392 0 50 FKAA O=C(Nc1ccc(F)cc1F)c1cccc(COc2ccccc2Cl)c1 2767566 RZDNYFUOXNWOCI-UHFFFAOYSA-N 373.786 5.450 0 50 FKAA Cc1ccc(-c2cc(C(F)F)n3nc(C)c(Br)c3n2)cc1C 2786389 ZQIQJLWWEXGJED-UHFFFAOYSA-N 366.209 5.022 0 50 FKAA CC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 2860648 OZOZXYFDTVEXTG-UHFFFAOYSA-N 363.269 6.063 0 50 FKAA CCCCCOc1ccc2cc([C@H](NC(N)=O)C3CCCCC3)ccc2c1 2900549 RSHUNHMAQREHFP-JOCHJYFZSA-N 368.521 5.699 0 50 FKAA CCCCCCC(=O)N[C@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl 5250168 DVDZBLPWUHFOEG-HNNXBMFYSA-N 365.732 5.190 0 50 FKAA CC[C@H](NC(=O)c1csc2c1CC[C@@H](C)C2)c1ccc(C(C)C)cc1 6168311 JCCRYUMJRSNVLM-QRWLVFNGSA-N 355.547 5.877 0 50 FKAA O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Br 13745458 KFUJVMOWDSGIFH-UHFFFAOYSA-N 374.065 5.078 0 50 FKAA Cc1ccc(-c2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 17876961 QWKLZPCWNQGHRY-UHFFFAOYSA-N 352.503 5.273 0 50 FKAA CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCC(=O)OCC 142084042 ITNKVODZACVXDS-VWCVGNCZSA-N 356.550 7.027 0 50 FKAA Fc1ccc(C2=CC[C@H](N[C@@H](c3ccc(F)cc3)c3ncc[nH]3)CC2)cc1 446883323 FZIVRKGYONTDDR-SFTDATJTSA-N 365.427 5.003 0 50 FKAA COc1ccc(-c2nn(-c3ccccc3)c(=S)n2-c2ccccc2)cc1 642133 DHBLXGAQFCPSPN-UHFFFAOYSA-N 359.454 5.068 0 50 FKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(F)cc1 862437 VOWTVWJLTWJAQQ-UHFFFAOYSA-N 356.400 5.602 0 50 FKAA Cc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2n1 947938 WFZRQRGHKYCUGL-UHFFFAOYSA-N 351.258 5.033 0 50 FKAA C[C@@H](NC(=O)c1cccc2ccccc12)c1ccc(Br)cc1 1127630 UYCREHALRNZKIM-CYBMUJFWSA-N 354.247 5.093 0 50 FKAA O=C(Nc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 1176251 RCPXQZJJJUROQF-UHFFFAOYSA-N 360.438 5.128 0 50 FKAA Fc1ccccc1NC(=S)NCCC(c1ccccc1)c1ccccc1 1177027 DJGUMVYWWKKIOW-UHFFFAOYSA-N 364.489 5.334 0 50 FKAA CCN(C(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1C 2870790 JALWGZYSLTXDRY-UHFFFAOYSA-N 366.288 5.514 0 50 FKAA O=C(/C=C/c1cc(-c2ccccc2)cs1)Nc1cccc(C(F)(F)F)c1 4542097 GIPQFVDUCODRBR-MDZDMXLPSA-N 373.399 6.086 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(C(F)(F)F)c1 4782605 ZOTLJBDRVJWBFR-UHFFFAOYSA-N 367.129 5.795 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 4809767 WPMQXBOALZPIBE-UHFFFAOYSA-N 369.468 5.551 0 50 FKAA COc1ccc(CC[C@@H](C)NCCc2ccc(Cl)cc2Cl)cc1 6667618 GJRPTEZZYDDVJF-CQSZACIVSA-N 352.305 5.155 0 50 FKAA COc1cccc([C@H](C)N(C)Cc2nc(-c3ccc(F)cc3F)oc2C)c1 12442282 AEWFPJPRKGPAKJ-ZDUSSCGKSA-N 372.415 5.130 0 50 FKAA Fc1ccccc1/C=C1\CCCC2=C1N=C(S)N[C@H]2c1ccccc1F 13519999 YOEKQKPKLQYUDG-PKHIPVCBSA-N 368.452 5.417 0 50 FKAA Cc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1 20604748 RXKRNNOCMTVFAN-UHFFFAOYSA-N 371.337 5.554 0 50 FKAA Cc1cc(NC(C)C)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 21790544 WMDWKWSTQAKHLU-UHFFFAOYSA-N 368.790 5.197 0 50 FKAA Clc1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c(Cl)c1 2325823957 JNVABKQVWNDJAM-UHFFFAOYSA-N 356.665 5.331 0 50 FKAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 753646 UQZWXZLLYVIQPC-OXFRDRNISA-N 364.247 5.514 0 50 FKAA CC(C)Oc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 951029 FDRCZEDJHDKYAP-UHFFFAOYSA-N 359.469 5.511 0 50 FKAA O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccccc1Cl 991707 NJLCDPHGCCQUQF-UHFFFAOYSA-N 373.839 6.538 0 50 FKAA Cc1ccc([C@H](CC(=O)N2CCCCC2)c2ccc(OC(C)C)cc2)cc1 1121205 DEBIMYJEDCTQOP-QHCPKHFHSA-N 365.517 5.317 0 50 FKAA biogenic O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1Br 1168264 QJBRXABVDKNMSU-UHFFFAOYSA-N 370.699 5.223 0 50 FKAA CC(C)(C)c1ccc(CNC(=S)Nc2ccc(-c3ccccc3)cc2)cc1 2812314 CALKBYXSMOBXEJ-UHFFFAOYSA-N 374.553 6.138 0 50 FKAA COc1ccc(OC)c(Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 4757893 RWCYELOBLOHUSG-UHFFFAOYSA-N 360.866 5.533 0 50 FKAA O=C(NC12CCC3C[C@@H](C[C@@H](C3)C1)C2)C(c1ccccc1)c1ccccc1 16275755 CRBOISRBMOGBOA-IFKGAMTLSA-N 359.513 5.294 0 50 FKAA Clc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccsc3)C2)cc1 23129659 MXIJYJZMJVHZGQ-INIZCTEOSA-N 357.910 5.171 0 50 FKAA CCCCC(=O)Nc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 67562136 SOXLZZGEXXNDOP-UHFFFAOYSA-N 363.461 5.166 0 50 FKAA Cc1cccc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 101424599 XJNRIRJZCVCTFI-QHCPKHFHSA-N 355.462 6.246 0 50 FKAA Clc1ccsc1-c1csc(=NCc2cccc3ccsc23)[nH]1 1875330223 STTZBJMNRJYUIJ-UHFFFAOYSA-N 362.932 5.774 0 50 FKAA CO[C@@H](CN[C@@H](C)c1ccc(Cl)c2ccccc12)Cc1ccccc1 2325870459 YRUJXHFXIHNPQP-FUHWJXTLSA-N 353.893 5.402 0 50 FKAA CSc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1073354 SZPONHZDPSCMTB-UHFFFAOYSA-N 370.477 5.876 0 50 FKAA S=C(Nc1cccc(Cl)c1)Nc1ccccc1Oc1ccccc1 1109443 SPDVYPXXDOLSOS-UHFFFAOYSA-N 354.862 5.941 0 50 FKAA CCC(=O)N(c1ccc(C)c(C)c1)c1nc(-c2ccccc2)c(C)s1 1148928 AOYHFHHKOUUCAM-UHFFFAOYSA-N 350.487 5.810 0 50 FKAA COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 1174963 SXPFYKWXWAARSR-UHFFFAOYSA-N 374.465 5.153 0 50 FKAA O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 1326510 ZBRPEYDFVBLRCA-UHFFFAOYSA-N 371.893 5.361 0 50 FKAA CCC[C@@]1(CN2c3ccccc3Sc3ccccc32)CCN(CC)C1 1726494 HVDVITZBAJESBC-JOCHJYFZSA-N 352.547 5.801 0 50 FKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1cccs1 2766882 CIVKATGEQMQJKU-UHFFFAOYSA-N 358.466 5.202 0 50 FKAA CSc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 2881210 DZOYSDLKICSOGR-UHFFFAOYSA-N 365.523 5.953 0 50 FKAA Cc1cccc(OP(=O)(Nc2nccs2)Oc2cccc(C)c2)c1 2963522 HLSGGONKNNOVFG-UHFFFAOYSA-N 360.375 5.438 0 50 FKAA Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(C(=O)O)cc2)cc1 4532228 KKECDGXMCKMRRM-JOCHJYFZSA-N 356.425 5.049 0 50 FKAA CCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 4854026 VRNCUACSHNHYIW-PKOBYXMFSA-N 361.272 5.663 0 50 FKAA C/C=C(C(=C\C)\c1ccc(OC(C)=O)cc1)/c1ccc(OC(C)=O)cc1 5179164 YWLLGDVBTLPARJ-LWKKFVLGSA-N 350.414 5.044 0 50 FKAA in-vitro CC[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2Cl)C1 5984694 SVNSXMIBXXCPBI-SECBINFHSA-N 369.317 5.404 0 50 FKAA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)O 33956040 VHUBNUSXPIJYSG-QIRCYJPOSA-N 370.470 6.241 0 50 FKAA in-vitro CC(C)c1ccc(Sc2ccc([C@H](C)N(C)CC(=O)O)cc2F)cc1 170629299 LLRQHMGWLRIPAN-AWEZNQCLSA-N 361.482 5.178 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 245235136 IBBHEQXRACLNGJ-KUCPZRGMSA-N 364.316 6.261 0 50 FKAA O=C(OCc1ccc(C2CCCCC2)cc1)c1ccccc1-n1cccn1 1875336197 VKMLDRVJGFJYQF-UHFFFAOYSA-N 360.457 5.277 0 50 FKAA CCOC(=O)c1ccc(NC(=O)N(C2CCCCC2)C2CCCCC2)cc1 641145 SSJSSJMSFOFWSZ-UHFFFAOYSA-N 372.509 5.363 0 50 FKAA Cc1cccc(C)c1NC(=O)c1cccnc1Oc1ccc(Cl)cc1 970386 HQGZMMAJHFUKHO-UHFFFAOYSA-N 352.821 5.396 0 50 FKAA C(=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1 1709830 DAABVBOFAIYKNX-GPAWKIAZSA-N 358.484 7.468 0 50 FKAA CCOc1ccc([C@@H](Nc2ccc(C)cc2)P2(=O)OCCCO2)cc1 2810179 DYIMYPDCXCSYMB-IBGZPJMESA-N 361.378 5.134 0 50 FKAA CCCCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 2996459 ARSPFCGMGGSROB-UHFFFAOYSA-N 373.250 5.386 0 50 FKAA COc1cc2c(cc1NC(=O)c1ccc(C)c(Cl)c1)oc1ccccc12 4664432 XPKUGJDFMOJKOT-UHFFFAOYSA-N 365.816 5.809 0 50 FKAA O=P(Nc1nc2ccccc2[nH]1)(Oc1ccccc1)Oc1ccccc1 43191559 GBYXTGVJBPOPOY-UHFFFAOYSA-N 365.329 5.241 0 50 FKAA C[C@H](NCCCN(C)c1ccccc1)c1cc(Cl)ccc1OC(F)F 1875330777 ZNDSWGBXWNGAAD-AWEZNQCLSA-N 368.855 5.119 0 50 FKAA CO[C@H](C(=O)N(C)[C@@H](C)c1cccc2ccccc12)c1cc(F)cc(F)c1 2325828401 GEWSWXPEDHNTJO-QKKBWIMNSA-N 369.411 5.025 0 50 FKAA CC(C)Oc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 706778 SQRUBZCCNPDDPD-UHFFFAOYSA-N 364.319 5.391 0 50 FKAA c1ccc(C(CCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 2173288 RYRPAXUFKAJVQC-UHFFFAOYSA-N 362.516 7.431 0 50 FKAA CCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 4141725 PJAINZVPIGVXOL-UHFFFAOYSA-N 366.464 6.025 0 50 FKAA c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc3ccccc32)cc1 4409629 KCENPJPWSWRZLS-UHFFFAOYSA-N 360.460 5.877 0 50 FKAA O=C(Nc1cccc(Br)c1)/C(=C/c1ccco1)c1ccccc1 4701867 VZDKOOSNLLLLQV-QGOAFFKASA-N 368.230 5.221 0 50 FKAA Cc1cc(NCc2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc12 16667548 RRDAVFCILBQMDT-UHFFFAOYSA-N 351.664 6.116 0 50 FKAA c1ccc2[nH]c([C@@H]3CCCN3Cc3cnc(C4CCCC4)s3)nc2c1 170606890 ZSAXQWGUIACCSQ-SFHVURJKSA-N 352.507 5.014 0 50 FKAA Cn1c([C@H]2CCCCN2c2ncc(Cl)cc2Cl)nc2ccccc21 1875308085 YBGXRPVDUBNUKL-MRXNPFEDSA-N 361.276 5.007 0 50 FKAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 623225 IMDTUHNSYXJACH-UHFFFAOYSA-N 369.873 5.863 0 50 FKAA O=C(Nc1ccc2ccccc2c1)c1sc2cc(Cl)ccc2c1Cl 911179 IJEMESASLBVQDC-UHFFFAOYSA-N 372.276 6.614 0 50 FKAA Cc1ccsc1[C@H]1CC(c2cccs2)=NN1C(=O)c1cccs1 1077335 XHZMPZQRAZKSBB-CYBMUJFWSA-N 358.513 5.171 0 50 FKAA CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nc2c1 1208122 WGEQWWQOPHSQSF-UHFFFAOYSA-N 372.424 5.318 0 50 FKAA O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 1216569 QWOOJNWSWNMAKT-UHFFFAOYSA-N 362.816 5.329 0 50 FKAA O=C(Nc1cccc2ccccc12)N(Cc1ccccc1)Cc1ccccc1 1226029 AKRGRDXECHFWEX-UHFFFAOYSA-N 366.464 6.074 0 50 FKAA Cc1ccc(NC(=O)Nc2nnc(CSc3ccccc3)s2)cc1C 1305616 XSWZIAGPPRBFEZ-UHFFFAOYSA-N 370.503 5.091 0 50 FKAA O=C(Nc1ccc(-c2ccccc2)cc1)c1c(F)c(F)c(F)c(F)c1F 2830334 XHAPGIXLUWWWFM-UHFFFAOYSA-N 363.285 5.301 0 50 FKAA CSc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 2841237 DJLZKVHZDBMJDO-NRFANRHFSA-N 365.473 5.974 0 50 FKAA CCOc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1 5032394 IIGDNZDUZIYRSX-DEOSSOPVSA-N 374.528 5.632 0 50 FKAA Cc1nn(C)c(C)c1-c1c(-c2ccccc2)ncn1[C@H](C)CCc1ccco1 65375765 MWKPNJVOBKGYJI-MRXNPFEDSA-N 374.488 5.354 0 50 FKAA FC(F)(F)c1cccc(Oc2ccc(CN3CCCC3)cc2Cl)n1 71278956 XZJSAZYOEOSWSP-UHFFFAOYSA-N 356.775 5.142 0 50 FKAA Cc1noc(-c2ccccc2)c1NC(=O)/C=C(/c1ccccc1)C(F)(F)F 130995052 OARSPPNPNGCEEG-VBKFSLOCSA-N 372.346 5.234 0 50 FKAA C[C@H](N=c1[nH]c2cccnc2s1)c1ccc(-c2ccc(Cl)cc2)s1 2325878342 LRLJGNWKDKFSET-NSHDSACASA-N 371.918 5.668 0 50 FKAA COc1ccc(OCc2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1 1016355 IIJHJAGBQUHDKN-KRWDZBQOSA-N 358.441 5.233 0 50 FKAA O=C(CC1c2ccccc2Oc2ccccc21)NC1C2CC3CC(C2)CC1C3 1059190 QITIGTWKIWUYDD-UHFFFAOYSA-N 373.496 5.255 0 50 FKAA Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 1515830 SBLUDQUWOSWOQF-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CC[C@H](C)N1C(=O)CC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 334162639 DLPCBOAIXXBINV-IFXJQAMLSA-N 366.892 5.950 0 50 FKAA Cc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)c(C)c1 671661 HKAOUIYWBWRLOW-UHFFFAOYSA-N 356.878 5.262 0 50 FKAA O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 841496 CULHWQJZMDSTQT-UHFFFAOYSA-N 362.816 5.329 0 50 FKAA CSc1ccccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 1073568 DTRIKPUUYIGUMA-UHFFFAOYSA-N 374.465 5.777 0 50 FKAA CCCC(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 1165427 HSFGRJYFHGFJRX-UHFFFAOYSA-N 364.832 6.040 0 50 FKAA Cc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 1220889 GLLVAHPSCINSMS-MDZDMXLPSA-N 368.889 5.348 0 50 FKAA O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(F)c(F)c1 2850821 NJFPSBPCQOHMPN-UHFFFAOYSA-N 362.228 5.144 0 50 FKAA O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl 2871084 HOKNJZMOCWCGIF-UHFFFAOYSA-N 356.252 5.513 0 50 FKAA Clc1ccc(Oc2cccc(CN3CCC[C@H]4CCCC[C@H]43)c2)cc1 2893845 RYCRTNPTJUFFBR-XMSQKQJNSA-N 355.909 6.287 0 50 FKAA c1ccc(Cn2c(SCCOc3ccccc3)nc3ccccc32)cc1 2917108 QDFIQGADMZIBHW-UHFFFAOYSA-N 360.482 5.256 0 50 FKAA CCc1cccc(CC)c1NC(=O)COc1c(Cl)cccc1Cl 4542116 YUPYBQIERNCTHT-UHFFFAOYSA-N 352.261 5.136 0 50 FKAA CCCCc1ccc(NC(=O)Nc2ccc(CN3CCCC3)cc2)cc1 13325254 LHUNNIZYZAEZJK-UHFFFAOYSA-N 351.494 5.269 0 50 FKAA CCCCn1nc(C)c2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 13961446 PWPJCQBMLQLREY-UHFFFAOYSA-N 373.491 5.945 0 50 FKAA CCC[C@H](C)c1c(-c2ccccc2)ncn1CCc1nc(C(C)C)no1 65394336 YOUHLMSEWRBLNB-INIZCTEOSA-N 352.482 5.203 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(C)=O)[C@@H]3CC[C@@H]2C1 257356144 GFHOQCXDABGYAL-PKZPLIPCSA-N 360.538 5.166 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3CC[C@@H]2C1 257356145 GFHOQCXDABGYAL-QTWHALIFSA-N 360.538 5.166 0 50 FKAA Fc1ccc(-c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1 643655 DRARSYGNVZIENS-UHFFFAOYSA-N 354.328 5.591 0 50 FKAA COc1ccc2[nH]cc(CCN(Cc3ccccc3)Cc3ccccc3)c2c1 771860 ILKJXDOOSVTHSQ-UHFFFAOYSA-N 370.496 5.421 0 50 FKAA CC(=O)c1cccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)c1 949537 YWGZQHUZURQMGW-UHFFFAOYSA-N 353.425 5.551 0 50 FKAA O=C(Nc1cccc2cccnc12)c1cccc(OCc2ccccc2)c1 1065298 ZBPAXVRCYRSSRH-UHFFFAOYSA-N 354.409 5.066 0 50 FKAA CC[C@H](C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 1115837 MAPFEZPNHQSOPO-IBGZPJMESA-N 355.441 5.362 0 50 FKAA Cc1cc(C(F)(F)F)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 1151375 NSWYYWLCKDBDOW-UHFFFAOYSA-N 353.347 5.391 0 50 FKAA Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccccc4F)c3)oc2cc1C 1212529 MDCHGZGDQGBJQY-UHFFFAOYSA-N 374.415 5.811 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 1226955 MAVYLESQYOWXSY-UHFFFAOYSA-N 356.425 5.672 0 50 FKAA Cc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1Br 1776852 OLPTZUDNNKVTDX-UHFFFAOYSA-N 374.307 5.385 0 50 FKAA CC(C)(C)c1ccccc1OCCCCOc1ccccc1C(C)(C)C 2885588 PDQZKLRKFUQIIX-UHFFFAOYSA-N 354.534 6.520 0 50 FKAA Cc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(C)cc2)cc1 2913576 FUJTUUTZOJANCC-UHFFFAOYSA-N 352.478 5.221 0 50 FKAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1Cl 2979300 UOYVFBNVZUHCHM-UHFFFAOYSA-N 358.224 6.038 0 50 FKAA CCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)cc3Cl)ccc12 3002707 LJKWIIVRDIGJLG-UHFFFAOYSA-N 363.240 5.550 0 50 FKAA Cc1c[nH]c(CN2CC[C@@H](c3ccc(F)cc3F)Sc3ccccc32)n1 14984520 MNMSYBOESSUMID-SFHVURJKSA-N 371.456 5.240 0 50 FKAA COc1cccc2c1O[C@H](C1CCCCC1)N1N=C(c3ccccc3)C[C@H]21 19833490 AYRZSUCARUPAIH-NFBKMPQASA-N 362.473 5.145 0 50 FKAA CC[C@@H]1CC[C@@H](CC)P1c1ccccc1P1[C@H](CC)CC[C@H]1CC 49952224 GVVCHDNSTMEUCS-UAFMIMERSA-N 362.478 6.603 0 50 FKAA CC1([Si](C)(C)C)c2ccccc2C(C)([Si](C)(C)C)c2ccccc21 197370710 QRDVHNHSLGOCLE-UHFFFAOYSA-N 352.670 6.367 0 50 FKAA COc1ccccc1Oc1ccc(NC(=O)c2c(C)cccc2Cl)cn1 824827647 ZNCUSCCOZFEQDR-UHFFFAOYSA-N 368.820 5.097 0 50 FKAA O=C(c1cccc2ccccc12)N(Cc1ccccc1)Cc1ccccc1 1096647 GKOUNKJCAQFPFV-UHFFFAOYSA-N 351.449 5.682 0 50 FKAA CCCC(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC 1132011 USOLUOFUAGCYPM-UHFFFAOYSA-N 352.434 5.365 0 50 FKAA CCOc1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 1144435 MUADUGUKPOGYCA-HAVVHWLPSA-N 373.452 5.273 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccc1)C(C)C 1213459 YLYALPNPEPTZGW-UHFFFAOYSA-N 368.864 5.354 0 50 FKAA COc1cc(CNc2ccc(F)c(F)c2)ccc1OCc1ccccc1 1229393 ZSYBJKPJWHTHGI-UHFFFAOYSA-N 355.384 5.165 0 50 FKAA Cc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(C)c1 1233493 PBTAZDVRUPKOCI-XERBYJISSA-N 353.465 5.539 0 50 FKAA C[C@H]1CCc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 2264729 ASMHZSJPGOFQIB-HNNXBMFYSA-N 362.498 5.039 0 50 FKAA Cc1cccc(-c2cc(C(=O)N3CCCCC3)c3cc(Cl)ccc3n2)c1 5048759 BAFYWOMFJVAIEC-UHFFFAOYSA-N 364.876 5.490 0 50 FKAA Cc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)cc1 5101414 RCNZLIBARNLIQC-UHFFFAOYSA-N 366.530 5.582 0 50 FKAA Cc1ccc(-c2cc(C(=O)NC3CC3)c3cc(Cl)ccc3n2)c(C)c1 6844304 YRDVIGAKQABADS-UHFFFAOYSA-N 350.849 5.064 0 50 FKAA Cc1ccc([C@@H](C)CCN2CCC(CCC(=O)Nc3ccccc3)CC2)o1 12299510 ACOCYICYNNYDIT-SFHVURJKSA-N 368.521 5.213 0 50 FKAA S=c1[nH]ccn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl 13144762 KXGBPROQHNHYDB-UHFFFAOYSA-N 351.258 5.421 0 50 FKAA Cc1cccnc1Cn1ccc(-c2cccc(-c3nccc4occc34)c2)n1 20535610 QFOCIFVLLZBIFU-UHFFFAOYSA-N 366.424 5.110 0 50 FKAA CCC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2 20573056 DKLCZFMNBNPUPU-IJBPVIJFSA-N 366.549 5.682 0 50 FKAA O=C1C[C@@H](c2ccccc2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 263587991 NUJXNMNBEQVEBA-IBGZPJMESA-N 370.427 5.303 0 50 FKAA Cc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1 1134598 FZEDQMJQPLKXRH-UHFFFAOYSA-N 360.866 5.054 0 50 FKAA CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 2299667 KJIZSIHXVSTHMC-ZDUSSCGKSA-N 370.543 5.074 0 50 FKAA Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cccc1C(=O)O 2386060 PZBXPHGPGVUOMO-UHFFFAOYSA-N 373.408 5.054 0 50 FKAA in-vitro COc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 2843009 WREYZTVRHFDRMU-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA FC(F)(F)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1 2900976 ZXICHDGQTHXJKH-UHFFFAOYSA-N 354.784 6.226 0 50 FKAA O=C(C[C@@H](C(=O)O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 5344399 GDGRFVFYMJTMAH-CYBMUJFWSA-N 357.620 5.088 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)c(Br)c1 13320086 LUWAPJCKPWLOJX-UHFFFAOYSA-N 353.647 5.363 0 50 FKAA Clc1ccc(-c2nc(-c3ccccc3Br)no2)c(Cl)c1 16124267 MSJONQGCEQKHBO-UHFFFAOYSA-N 370.033 5.473 0 50 FKAA in-vitro Cc1cc(NCc2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc12 23633926 USJAKHLXHBELOR-UHFFFAOYSA-N 350.771 5.828 0 50 FKAA CC(C)c1ccccc1NC(=O)c1cc(-c2ccccn2)ccc1Cl 168648700 OANUAHYHQCGABY-UHFFFAOYSA-N 350.849 5.778 0 50 FKAA C[Si](C)(C)[C@@]1(C(=O)c2ccccc2)CC1(c1ccccc1)c1ccccc1 169828950 QLTGMIJZIIWKNX-RUZDIDTESA-N 370.568 6.338 0 50 FKAA COc1ccc(N2C(=O)c3ccccc3N[C@@H]2C2=CC[C@H]3C[C@H]2C3(C)C)cc1 252445382 JUMPFDJZPKCJOO-GNSUPJDDSA-N 374.484 5.086 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3ccccc3n2)o1 656502 XESKLZCCXLSCQO-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CC(C)[C@@H]1O[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OCC1(C)C 1080144 XAJYPHLAKZMLDJ-FPOVZHCZSA-N 371.452 5.174 0 50 FKAA O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1137648 BPOAUEXGDJJVAJ-UHFFFAOYSA-N 367.788 5.083 0 50 FKAA O=C(Nc1nc(-c2cccc3ccccc23)cs1)NC1CCCCC1 1200658 RBZKJMXGPABNSB-UHFFFAOYSA-N 351.475 5.418 0 50 FKAA Clc1ccc2nc(Nc3ccccc3Cl)nc(-c3ccccc3)c2c1 2297607 ZGCNBVZWKADHQA-UHFFFAOYSA-N 366.251 6.347 0 50 FKAA CCCOC(=O)c1c(NC(=O)C2CCCC2)sc(C)c1-c1ccccc1 2761679 FYLJJKZFYAGQRG-UHFFFAOYSA-N 371.502 5.419 0 50 FKAA CC(=O)N1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 4604705 BHCVEZXVFMWSNG-HVCNVCAESA-N 369.464 5.074 0 50 FKAA O=C1CCC(c2sc(Cl)c(Cl)c2Cl)=NN1c1ccccc1 4724889 SMQXYEARTDTETO-UHFFFAOYSA-N 359.665 5.239 0 50 FKAA C[C@@H](Cc1cc(C(=O)N(Cc2ccccc2)CC2CC2)on1)c1ccccc1 14886738 KMSFUMVCRAIXDR-SFHVURJKSA-N 374.484 5.073 0 50 FKAA Cc1noc(C)c1[C@@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1 21720218 DNSNPEIOCXNZSA-QFIPXVFZSA-N 362.473 5.208 0 50 FKAA Cc1cc(N2CCc3cc(F)ccc3C2)cc(C)c1NC(=O)CC(C)(C)C 115001358 FJNPZKZPWVVSON-UHFFFAOYSA-N 368.496 5.380 0 50 FKAA CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 651658 FSESBBFRQCUXMB-LBPRGKRZSA-N 352.261 5.270 0 50 FKAA Cc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 666501 NQVWEHZTOMQMCP-UHFFFAOYSA-N 356.219 5.270 0 50 FKAA Clc1ccc(Cn2c(-c3cncs3)nc3ccccc32)c(Cl)c1 717070 VGBRCTUPMIKTGX-UHFFFAOYSA-N 360.269 5.515 0 50 FKAA Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1 946992 WNSYIBSTDFROJC-IZZDOVSWSA-N 354.862 5.424 0 50 FKAA Cc1nc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nc2ccccc12 1113798 WSFZEPVAWSDMEE-JOCHJYFZSA-N 370.477 5.655 0 50 FKAA aggregator Brc1ccc(-c2noc(-c3ccc4ccccc4c3)n2)cc1 1122038 FJNFYNFRCYTXQK-UHFFFAOYSA-N 351.203 5.319 0 50 FKAA O=C(c1cccc2ccccc12)c1cn(CCCCCF)c2ccccc12 1550858 ALQFAGFPQCBPED-UHFFFAOYSA-N 359.444 6.165 0 50 FKAA in-vitro COc1ccccc1/C=C/C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1924766 NOMLOZUCLWKOLD-RMKNXTFCSA-N 355.743 5.019 0 50 FKAA FC(F)(F)Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 2582366 ATKFEZCZQVWLFQ-UHFFFAOYSA-N 370.783 6.106 0 50 FKAA CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 2856975 GFDHEVOYKPHNOD-ZDUSSCGKSA-N 351.368 5.236 0 50 FKAA Clc1ccccc1N1N=C(/C=C/c2cccs2)C[C@H]1c1cccs1 4257512 JASSZTQDUJBWHQ-BBVFFXRHSA-N 370.930 6.484 0 50 FKAA Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4282007 UNBFLPWZMOGXHA-PXNSSMCTSA-N 366.873 5.644 0 50 FKAA Clc1ccc([C@H]2CC(c3ccccc3Cl)=NN2c2ccccc2)cc1 4314917 MVCUPAUARFSBAJ-OAQYLSRUSA-N 367.279 6.349 0 50 FKAA O=C(Nc1ccccc1Cl)c1sc2ccccc2c1Br 4542598 FRVIPVDWVGNNDL-UHFFFAOYSA-N 366.667 5.570 0 50 FKAA COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 5164102 YUSNVRPMAQCXJP-FYYLOGMGSA-N 374.415 5.077 0 50 FKAA CN1Cc2c(Cl)cc(Cl)cc2[C@@H](c2cccc(Br)c2)C1 95829956 LJCWTVCXFOSCRP-CQSZACIVSA-N 371.105 5.333 0 50 FKAA in-vitro CC1=C(CCN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)C(C)(C)CCC1 822312333 WWZLJBPOGJFEEW-XZOQPEGZSA-N 358.614 5.632 0 50 FKAA Clc1cccc(Cl)c1-c1nc(CSc2nncs2)cs1 1875358686 FTVZDWLYAKNFPW-UHFFFAOYSA-N 360.316 5.261 0 50 FKAA Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Br)c1 851347 LRUHSBZTDWLXCO-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA Fc1ccc(CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 1146267 PRCMYNLGSKHUIT-UHFFFAOYSA-N 366.417 5.233 0 50 FKAA COc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1C 1157825 BXUCQWMHFDNWQP-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA CCOC(=O)Nc1cc(-c2ccccc2)nc2ccc(Br)cc12 1230643 GHUUNCWLENDNNC-UHFFFAOYSA-N 371.234 5.233 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)cc1OC 1766739 MCXNUPNPVDBSPV-ACCUITESSA-N 367.489 5.568 0 50 FKAA Cc1ccc([C@@H](NC(=O)[C@@H](c2ccccc2)C(C)C)c2ccccc2)cc1 2362890 KLZOEACHXMZNNH-RPWUZVMVSA-N 357.497 5.640 0 50 FKAA Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 2740974 RKTUWEWJCBCJLM-UHFFFAOYSA-N 367.374 5.685 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CCCCC1)O2 4310836 UPBAHCYVALVGQQ-LJQANCHMSA-N 352.865 5.544 0 50 FKAA CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc([C@@H]2CCCCO2)s1 97495152 NFOFADRBJQBMMW-FQEVSTJZSA-N 367.518 5.012 0 50 FKAA COC(=O)C[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253610266 JCEJAUVYYGKDSZ-AYHNZTASSA-N 360.582 6.235 0 50 FKAA CC[C@H](F)CCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21 575440719 SVAFPMQCQHIESM-SFHVURJKSA-N 374.459 6.185 0 50 FKAA in-vitro O=C(c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)n1cccn1 656972 XUABQZJBOKJLOX-UHFFFAOYSA-N 368.223 5.094 0 50 FKAA CC[C@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 668598 LZWSBDQXMCIDBF-QHCPKHFHSA-N 359.469 5.073 0 50 FKAA Cc1ccc(C)c(-c2csc(Nc3ccc(Br)cc3)n2)c1 753129 LSMKYCJEGHKZEW-UHFFFAOYSA-N 359.292 5.933 0 50 FKAA CC(C)c1ccc(OC[C@H](C)N[S@@](=O)c2ccc3ccccc3c2)cc1 955205 CNSKUMVSTFPOLQ-MRDQGFSESA-N 367.514 5.043 0 50 FKAA Cc1c(C(=O)NC(=S)Nc2cccc3ccccc23)oc2ccccc12 1177179 SJZYZRZWUGPVJY-UHFFFAOYSA-N 360.438 5.021 0 50 FKAA CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 1177668 MYPWYGHCNXJLNW-JOCHJYFZSA-N 358.441 5.029 0 50 FKAA COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1 2374205 RBVCWAULFGDWPZ-UHFFFAOYSA-N 351.490 5.254 0 50 FKAA CC(=O)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 2855840 NMBYCPVQBRUNKS-UHFFFAOYSA-N 360.413 5.112 0 50 FKAA CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 3908500 MIOPEGLZQSMOPA-LBPRGKRZSA-N 353.249 5.053 0 50 FKAA Cc1ccc([C@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13320536 ZBENBAIOILKIEB-NSHDSACASA-N 356.775 5.550 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13329923 XBOVGXKPWXIVEY-SNVBAGLBSA-N 357.668 5.838 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccccc1)O2 13616624 VFFURTPDJYYADZ-YLJYHZDGSA-N 366.873 5.644 0 50 FKAA CCOC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1 15867046 YCWFFTLPAXGUCG-KRWDZBQOSA-N 372.490 5.074 0 50 FKAA CC(C)=CC[C@@](C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[Si](C)(C)C 169831341 WUJVTNKEEJQMMM-HDAAZOAOSA-N 352.635 6.445 0 50 FKAA Cc1csc(Nc2nccc(-c3sc(-c4ccccc4)nc3C)n2)n1 221561259 XVLDBGPOBUHDJL-UHFFFAOYSA-N 365.487 5.084 0 50 FKAA COc1ccc2sc(C(=O)Nc3cc(C(C)C)ccc3O)c(C)c2c1 1875336008 PCJQKICCPSMUPF-UHFFFAOYSA-N 355.459 5.300 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc(Cl)c1 622645 CWROLSSQAFMTJR-UHFFFAOYSA-N 352.821 5.563 0 50 FKAA CCC[C@@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 819900 FLXZKXXLGLNOEG-PIGZYNQJSA-N 350.871 5.119 0 50 FKAA COc1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 997409 JCNAMVIRHPENPG-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA Cc1ccc(C)c(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 1109203 UUTCJGHPBNVMGS-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA c1ccc(-c2cn(-c3ccccc3)c3ncnc(NCc4ccco4)c23)cc1 1109594 QYVYLKDVNFLGQI-UHFFFAOYSA-N 366.424 5.293 0 50 FKAA Cc1nc(C)c(-c2csc(Nc3cccc(Br)c3)n2)s1 1123435 BCXSHQSUMWHXMY-UHFFFAOYSA-N 366.309 5.390 0 50 FKAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CCc1ccccc1 1131981 HMTPUTULLMYYLD-UHFFFAOYSA-N 372.493 5.843 0 50 FKAA O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 1157415 VGBOBNSITDBRMR-UHFFFAOYSA-N 366.420 5.793 0 50 FKAA COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1O 1456428 IKEVOFQJMADUNN-UHFFFAOYSA-N 360.388 5.264 0 50 FKAA COC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl 2852607 XUOHSSZCOUNAHN-UHFFFAOYSA-N 365.816 5.046 0 50 FKAA aggregator Cn1nc(C(F)(F)F)c(CNc2ccc(Cl)c(Cl)c2)c1Cl 5886599 UCCRFNJNARNVMS-UHFFFAOYSA-N 358.578 5.011 0 50 FKAA O=C(Nc1ccc(CSc2ccccc2)cc1)N1CCc2ccccc21 8925695 GCWOSLNUNAZKEY-UHFFFAOYSA-N 360.482 5.574 0 50 FKAA Cc1cnccc1CN(C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 55244342 WICSLCDPMAJRDD-UHFFFAOYSA-N 368.484 5.079 0 50 FKAA COCc1nn2c(-c3ccc(F)cc3)ccnc2c1-c1ccc(Cl)cc1 67640713 RAHFTBBUBGFBLI-UHFFFAOYSA-N 367.811 5.002 0 50 FKAA C[C@H](F)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71746278 NFOQHRRYZIBSNW-KRWDZBQOSA-N 359.444 6.164 0 50 FKAA in-vitro Cc1nc(NCc2csc(C)n2)c2c(-c3ccccc3)csc2n1 170633608 HHGYTXVOBHOSQJ-UHFFFAOYSA-N 352.488 5.044 0 50 FKAA CC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@H]2C1(C)C 257348029 AUBLWSIZTYPLHL-CRDHFAFISA-N 360.538 5.166 0 50 FKAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(Nc1ccccc1)c1ccccc1 263621503 JRUKDLDAJZKDIP-AHQSTGFLSA-N 371.461 6.095 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)Nc1c(Cl)cccc1Cl 641023 YIJGBTXNHCACMC-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA COC(=O)c1ccccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C 1119662 APLFHTPCAPYLQS-UHFFFAOYSA-N 354.450 5.364 0 50 FKAA O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1)c1ccccc1 1126413 AFIQJLPGAOTGSD-UHFFFAOYSA-N 354.409 5.189 0 50 FKAA CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(F)cc1 1169861 KAIIVUJLUYFQSQ-UHFFFAOYSA-N 358.413 5.293 0 50 FKAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c(Cl)c1 1210992 KUJQMURNVKQAOR-UHFFFAOYSA-N 357.240 5.232 0 50 FKAA Clc1ccc(OCCCCN2CCCCCC2)c(Br)c1 2838884 CVKYXOMAYAAGIR-UHFFFAOYSA-N 360.723 5.138 0 50 FKAA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1Cl 4841275 OPBBRYNMUSMHOB-UHFFFAOYSA-N 361.832 5.444 0 50 FKAA CCC[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 4853987 LSHZPAUPRUOGLC-PKOBYXMFSA-N 371.278 5.119 0 50 FKAA Cc1ccc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)c(C)c1 5032530 SXVAMKQKXMIZMG-DEOSSOPVSA-N 358.529 5.850 0 50 FKAA Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 5041566 GBWYUFPPDLZETQ-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA Cc1cc(C(=O)N[C@@H](C)CCCC(C)C)c2c(-c3ccccc3)noc2n1 13641552 DFUNEXMVUKXSMY-HNNXBMFYSA-N 365.477 5.143 0 50 FKAA CC(C)[C@H]1O[C@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OCC1(C)C 1080143 XAJYPHLAKZMLDJ-TZIWHRDSSA-N 371.452 5.174 0 50 FKAA Cc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)oc2ccccc12 1172649 BLQZFNNTLARGLT-UHFFFAOYSA-N 354.620 5.954 0 50 FKAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c2c1 1459719 MCUPYBVLYFAJMI-IRXDYDNUSA-N 359.473 5.008 0 50 FKAA CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 2735009 QRFLUXTTYLSHJK-UHFFFAOYSA-N 358.441 5.315 0 50 FKAA CC(C)(C)CC(C)(C)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 2879112 PBWZBWJBLZXFJZ-UHFFFAOYSA-N 370.276 5.044 0 50 FKAA O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2ccccc2)cc1 2903078 OIVWEDONTBXWQS-UHFFFAOYSA-N 363.285 5.301 0 50 FKAA Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 4310825 XBUHUSQHVDHOTG-PXNSSMCTSA-N 350.805 5.175 0 50 FKAA C[C@H](CCc1ccccc1)NC(=O)N1c2ccccc2Sc2ccccc21 4807764 WRJZVWGMSCSBDJ-QGZVFWFLSA-N 374.509 6.020 0 50 FKAA CSc1ncc(C(=O)Nc2cccc(Cl)c2C)c(-c2ccccc2)n1 6938143 XIKSLXIDVZQATE-UHFFFAOYSA-N 369.877 5.080 0 50 FKAA CN(C(=O)c1csc2nc(-c3cccc(Cl)c3)cn12)C1CCCCC1 12304987 BUDOGXQFOPXGTA-UHFFFAOYSA-N 373.909 5.121 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)cc1 36620358 CCDNDEKRXYJVEK-MRXNPFEDSA-N 368.786 5.728 0 50 FKAA CCCc1cc(F)c(C#Cc2ccc(-c3ccc(CC)cc3)cc2)c(F)c1 148346137 MIFPQODJIPUOSR-UHFFFAOYSA-N 360.447 6.547 0 50 FKAA Cc1cc(C(=O)Nc2ccccc2NC(C)(C)C)c2c(c1)[C@H](C)CCN2 2325842431 XWECOGLNSKZZDX-OAHLLOKOSA-N 351.494 5.377 0 50 FKAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1 676866 MVRCDBPSXMIEBF-SFHVURJKSA-N 374.484 5.961 0 50 FKAA O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1F 830061 OTVYOFPCKMDKIL-UHFFFAOYSA-N 364.401 5.060 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OC(C)C)cc1 914970 MQATUWQQQGIMHQ-UHFFFAOYSA-N 370.836 5.343 0 50 FKAA Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1Cl 1126794 DRPSFVOIALCCGY-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(C)c(C)c1 1170223 NPMGVJFFPLGDNV-UHFFFAOYSA-N 368.477 5.771 0 50 FKAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1 1212126 AGWXVVDQTWPGEA-UHFFFAOYSA-N 374.465 5.289 0 50 FKAA CCc1ccc(NC2=C3C[C@H](C)CC=C3N(c3ccc(CC)cc3)C2=O)cc1 1423034 ZZALSJGKIJVRLJ-QGZVFWFLSA-N 372.512 5.838 0 50 FKAA C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 1550499 VDHAWDNDOKGFTD-MRXNPFEDSA-N 357.419 6.142 0 50 FKAA biogenic,fda Cc1cccc(-c2noc(CCCOc3ccc(Cl)cc3Cl)n2)c1 2402509 SVGKURGARWPHCH-UHFFFAOYSA-N 363.244 5.363 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(Cc2ccccc2)c1O 2506173 HUIODSPEQISQRV-UHFFFAOYSA-N 372.251 5.542 0 50 FKAA Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)s1 2733919 GESNIOVVJHEODY-UHFFFAOYSA-N 373.403 5.785 0 50 FKAA COc1ccccc1CNC(=O)c1sc2cc(Cl)ccc2c1Cl 2872160 LASAULXOENGCIJ-UHFFFAOYSA-N 366.269 5.147 0 50 FKAA c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=Nc3ccccc3S2)cc1 5738007 OTNZACAMARWHAB-VWLOTQADSA-N 365.501 7.198 0 50 FKAA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2C)c1 37256323 ZVDHPVGJVCEQRS-UPVQGACJSA-N 370.452 5.246 0 50 FKAA Brc1c(C2CCCC2)cc(C2CCCC2)cc1C1CCCC1 86032293 QRLTUCJNCQBOBR-UHFFFAOYSA-N 361.367 7.422 0 50 FKAA c1ccc(-c2ccc(Nc3cccc4c3sc3ccccc34)cc2)cc1 225177263 SHLTUEMNYNAKHE-UHFFFAOYSA-N 351.474 7.465 0 50 FKAA CCN(C(=O)c1cnc(CC(C)(C)C)s1)c1cccc(Cl)c1Cl 1875357513 JXDLQYGYJCCCIN-UHFFFAOYSA-N 371.333 5.705 0 50 FKAA COc1ccc(C2=C(CN(C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1 708911 DAOGNIPTKRWQJW-DEOSSOPVSA-N 371.480 5.192 0 50 FKAA O=C(c1c(Cl)cccc1Cl)N(Cc1ccccc1)c1ccccn1 1205948 JMEFOLWQNRRPKF-UHFFFAOYSA-N 357.240 5.235 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3ccc(Cl)cc3Cl)ccc12 1893429 XMYLJFPIJMHAAP-UHFFFAOYSA-N 363.240 5.631 0 50 FKAA CC(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 2875536 MSZATGWBHDCWDU-UHFFFAOYSA-N 362.454 5.049 0 50 FKAA Cc1ccc(-c2noc(CN(C3CCCCC3)C3CCCCC3)n2)cc1 3628155 HBNIIVNSXJKDNU-UHFFFAOYSA-N 353.510 5.512 0 50 FKAA Cn1nc(-c2ccccc2)c(CNc2ccc(Cl)c(Cl)c2)c1Cl 4060196 QZIGKZHXOLIBNY-UHFFFAOYSA-N 366.679 5.659 0 50 FKAA COc1cc(Cl)cc(/C=C/c2ccc3cccc(OC)c3n2)c1OC 5013667 ZQZLGZPFCVPZDK-CSKARUKUSA-N 355.821 5.084 0 50 FKAA CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 5067365 MTRXNFPLZFOKKZ-UHFFFAOYSA-N 367.832 5.783 0 50 FKAA S=c1nc(-c2ccccc2)[nH]c2c1C1(CCCCC1)Cc1ccccc1-2 6062045 DHDODTARVIIQDM-UHFFFAOYSA-N 358.510 6.231 0 50 FKAA Cc1ccc2oc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)c(C)c2c1 9250939 GFYCJMHZYIYNBY-UHFFFAOYSA-N 374.440 5.211 0 50 FKAA COc1ccc(CN(C(=O)c2ccc(-c3ccc(C)cc3)cc2)C2CC2)cc1 12195385 KIRFSRGNLQICKB-UHFFFAOYSA-N 371.480 5.475 0 50 FKAA O=C(Nc1nc(-c2ccccc2)cs1)Nc1ccccc1Br 13745999 NOJJKHKRKIILRE-UHFFFAOYSA-N 374.263 5.217 0 50 FKAA CCCCCn1c(O)c(C(=O)c2cccc3ccccc23)c2ccccc21 64858553 LSYJCVSGIQLLKF-UHFFFAOYSA-N 357.453 5.921 0 50 FKAA in-vitro CCC[C@H](F)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 71789387 UYTSDBWWEGEPLY-SFHVURJKSA-N 359.444 6.164 0 50 FKAA in-vitro Cc1sc2nc(-c3ccc(Cl)cn3)nc(O)c2c1-c1ccc(F)cc1 445650304 VQZYTYZJUXZRML-UHFFFAOYSA-N 371.824 5.227 0 50 FKAA Cc1c(C(=O)Nc2c(F)cc(F)cc2Br)oc2ccccc12 1054526 AKOCDQNXVILHNZ-UHFFFAOYSA-N 366.161 5.034 0 50 FKAA Cc1cccc(NC(=O)c2cccc(Cn3nc(C)c(Cl)c3C)c2)c1C 1069267 OCODIQKXPVIKLR-UHFFFAOYSA-N 367.880 5.071 0 50 FKAA CCC(CC)c1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 1115338 YTMBFMVQDQQOTM-UHFFFAOYSA-N 367.474 5.486 0 50 FKAA CCN(C(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1 1117310 KJZDIETYEHAIBM-UHFFFAOYSA-N 350.270 5.875 0 50 FKAA Cc1cc(OCc2cccc(Br)c2)c2c(C)c(C)c(=O)oc2c1 1164389 ZJTKTIDFBXSJOT-UHFFFAOYSA-N 373.246 5.060 0 50 FKAA CCOc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 1183291 QLNDODCQERLOMO-NRFANRHFSA-N 363.482 5.557 0 50 FKAA Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccco4)c3)oc2cc1C 1212584 DSVXGLSXLGBMEP-CMDGGOBGSA-N 372.424 5.665 0 50 FKAA COc1cc2c(cc1OC)C(c1ccc(-c3ccccc3Cl)o1)=NCC2 1453171 ZZYSJYAANFFYOZ-UHFFFAOYSA-N 367.832 5.011 0 50 FKAA biogenic CC(=O)CCc1c(C)nc2ccccc2c1-c1cccc(-c2cc[nH]n2)c1 20598794 MNXJOZWRIIVXBG-UHFFFAOYSA-N 355.441 5.122 0 50 FKAA O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCC[C@@H](c2ccccc2)CC1 71721618 ZDPSWAJIHODAGK-LJQANCHMSA-N 374.459 5.298 0 50 FKAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](C)c5ccccc5)(C4)C2)C3)cc1 101954980 DDOMKZNKWZOSMW-ZXRXAKFUSA-N 373.540 5.710 0 50 FKAA COc1cccc2c1O[C@@H](c1ccc(F)cc1)N1N=C(c3ccccc3)C[C@@H]21 169713133 DKBPNDJWRAYOEL-REWPJTCUSA-N 374.415 5.077 0 50 FKAA C[C@@H](C(=O)Nc1ccccc1Cl)c1cccc(C(=O)c2ccccc2)c1 238791231 PLSHFUKAJPCSSV-OAHLLOKOSA-N 363.844 5.313 0 50 FKAA COc1ccc([C@@]2(CCN[C@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 892483 ILBAKKLPGWDQKA-DVECYGJZSA-N 367.533 5.263 0 50 FKAA biogenic Cc1sc2ncnc(SCc3cccc(Br)c3)c2c1C 957753 VBMNZAWJTYNJEV-UHFFFAOYSA-N 365.321 5.363 0 50 FKAA O=C(Nc1[nH]c(-c2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1 1001157 ISNFWOUYYLLDOA-UHFFFAOYSA-N 366.420 5.165 0 50 FKAA Cc1cc(C)n2nc(Cc3ccccc3)c(-c3cccc4ccccc34)c2n1 1212632 ZPYBYWFRBNLSCJ-UHFFFAOYSA-N 363.464 5.757 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1ccccc1 1230488 SEFTYMFSPURLOP-UHFFFAOYSA-N 372.251 5.678 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Oc1ccc(Cl)cc1Cc1ccccc1 1732639 AOQDOCTZWZWBNM-UHFFFAOYSA-N 372.251 6.195 0 50 FKAA CCCCOc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 2071701 UGULWPKNFGBVDR-UHFFFAOYSA-N 373.250 5.345 0 50 FKAA Cc1ccc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 5102577 VZJLNXPOJKFVIK-UHFFFAOYSA-N 361.510 5.316 0 50 FKAA O=C(O)CCCCCCCCCCCCCCCCCc1ccccc1 5225594 FVNFTAQJARARPD-UHFFFAOYSA-N 360.582 7.555 0 50 FKAA O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 5675811 NAUUAZLLMJXFJZ-UHFFFAOYSA-N 367.619 5.198 0 50 FKAA Cc1oc(-c2cccc(F)c2F)nc1CN1CCCC[C@H]1c1cccnc1 12435959 ZGMQZLFWKCBASO-IBGZPJMESA-N 369.415 5.050 0 50 FKAA CC(C)CCC[C@H](C)CCc1ccc(CC[C@@H](C)CCCC(C)C)cc1 57989201 XTDSXTPHPOPBPO-ZEQRLZLVSA-N 358.654 8.477 0 50 FKAA Cc1noc2ccc(-c3c(-c4ccccc4)ncn3Cc3ccco3)cc12 65374945 HSBRXAJMWWMPLQ-UHFFFAOYSA-N 355.397 5.308 0 50 FKAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2C)C1 71765347 ZRQZHALWQFFTRW-IBGZPJMESA-N 360.501 5.270 0 50 FKAA Cc1nc(-c2cccc(NC(=O)C[C@H](C)c3c[nH]c4ccccc34)c2)oc1C 170615769 RUWGOPXLKNPCCD-AWEZNQCLSA-N 373.456 5.572 0 50 FKAA CCN1CCC[C@@H](N[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)C1 249695827 RONGSPKZYAIJGX-MJGOQNOKSA-N 372.965 5.162 0 50 FKAA CC(C)CC(=O)Nc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325720338 OKNOJRKNDHQHPO-UHFFFAOYSA-N 369.465 5.677 0 50 FKAA CCOC(=O)Oc1ccc2c(=O)c(Oc3ccccc3C(C)C)coc2c1 954152 WOTYSGYQCRIDGV-UHFFFAOYSA-N 368.385 5.244 0 50 FKAA COc1ccc(C)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 1217719 OQVMOWPQBGMEQL-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 1688367 GPNYZBKIGXGYNU-UHFFFAOYSA-N 368.561 6.408 0 50 FKAA biogenic,in-vitro Fc1ccc(Nc2nc(Cl)c(C(F)(F)F)c(Cl)c2Cl)cc1 2191521 DXEUWUMXAHTUKV-UHFFFAOYSA-N 359.537 5.943 0 50 FKAA CCCC[C@@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 2207667 KQRNFZDKZGTCJL-KZULUSFZSA-N 364.898 5.509 0 50 FKAA COc1ccccc1OCc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 2750563 ZTYZFAHBNVYJDE-UHFFFAOYSA-N 361.441 5.143 0 50 FKAA Cc1[nH]c2ccc(-c3nnc(S)n3-c3cccc(Cl)c3C)cc2c1C 2911282 CCTKPFOMECCPNV-UHFFFAOYSA-N 368.893 5.283 0 50 FKAA CC(C)(C)c1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 2954957 CYQOUEIVUTVMMM-UHFFFAOYSA-N 372.965 5.135 0 50 FKAA C(=C/c1nc2ccccc2n1CCCOc1ccccc1)\c1ccccc1 4115937 GKZYFJWJXZAFKV-WUKNDPDISA-N 354.453 5.676 0 50 FKAA COc1ccccc1OCCOc1ccc(C(C)(C)c2ccccc2)cc1 4702111 LVVSBDLUZDEBMT-UHFFFAOYSA-N 362.469 5.479 0 50 FKAA CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OCc1ccccc1 5554407 RVBLXUAPXWEIPM-SFHVURJKSA-N 368.473 5.417 0 50 FKAA in-vitro CCOC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 43758818 UEYAIUYANUAWRC-DGJNRDHSSA-N 374.609 6.625 0 50 FKAA C[C@H]1CC=CC[C@H]1CO[C@H](OC[C@H]1CC=CC[C@H]1C)[C@@H]1CC=CC[C@H]1C 254520917 WAEPJRAKLSUPKF-JINOFHLOSA-N 358.566 6.153 0 50 FKAA CC(C)Cc1ccc([C@H](C)c2nnc(S)n2-c2ccccc2)c(F)c1 334160719 LACNCIHVJSEFEV-AWEZNQCLSA-N 355.482 5.045 0 50 FKAA FC(F)(F)c1cccc(Oc2ncnc3scc(-c4ccccc4)c23)c1 755396 SVJOONGPOBHULE-UHFFFAOYSA-N 372.371 6.169 0 50 FKAA O=C(COc1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12 4758020 FAJVIGPZONHFFZ-UHFFFAOYSA-N 359.400 5.090 0 50 FKAA CC[C@@H](NC(=O)Nc1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 20573086 AGULWPDRDWMKCI-TXTVKVCSSA-N 364.892 5.596 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc21 64858557 DFIOKCGWOUDFRF-UHFFFAOYSA-N 357.453 5.921 0 50 FKAA in-vitro Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3C)C2)c2cccc(C)c2n1 82120810 DFIFTSHMEMHYMO-LJQANCHMSA-N 358.485 5.180 0 50 FKAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 100839456 TXGFFHXMIVTPQM-ZNZDAUKMSA-N 369.848 5.058 0 50 FKAA C[Si](C)(C)[C@@]1([C@H](O)c2ccccc2)CC1(c1ccccc1)c1ccccc1 169828995 DGDDYYWJAPYTEG-ILBGXUMGSA-N 372.584 6.189 0 50 FKAA S=C(Nc1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 170618215 ZZGAACNOPBMYBQ-KRWDZBQOSA-N 369.540 5.358 0 50 FKAA C=CC(=O)O[Sn](CCCC)(CCCC)CCCC 195997736 YSUXTNDMKYYZPR-UHFFFAOYSA-M 361.114 5.061 0 50 FKAA Fc1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1 299863678 LJMUZZUGHRTIJT-UHFFFAOYSA-N 371.371 5.816 0 50 FKAA CO[C@@H]1CCC[C@H](Cc2nc(-c3ccc(C)cc3)nn2CC(C)(C)C)C1 1875349071 LPTZUXCMKUKEBJ-PKOBYXMFSA-N 355.526 5.047 0 50 FKAA CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(Cl)ccc1Cl 1002353 JKUKADKPFIWFJN-UHFFFAOYSA-N 372.273 5.046 0 50 FKAA Fc1cccc(Cl)c1Cn1cc(C(=S)N2CCCC2)c2ccccc21 1127544 VSGQGTRSCLTKBL-UHFFFAOYSA-N 372.896 5.253 0 50 FKAA CCCC(=O)N(c1ccc(N(C(=O)CCC)[C@H](C)CC)cc1)[C@H](C)CC 5614643 SIDWMUIGZWHTCW-QZTJIDSGSA-N 360.542 5.550 0 50 FKAA COc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C)c1 13327116 CGGMYJRNRIZPCX-UHFFFAOYSA-N 374.799 5.012 0 50 FKAA CCCC[C@H](OP(C)(=O)O[C@@H](CCCC)C(F)(F)F)C(F)(F)F 22203625 GUVAZSHDCUMVMJ-QWRGUYRKSA-N 372.286 6.085 0 50 FKAA OC1=C[C@]2(CCC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 100671015 ATYUUWKZMABGCU-FPOVZHCZSA-N 366.848 5.206 0 50 FKAA CCC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1ccc(Oc2ccccc2)cc1 2325822232 LCXGHJWCXILSKK-GAJHUEQPSA-N 363.505 5.713 0 50 FKAA C[C@@H](N[C@H](C1CCCCC1)C1CCC1)c1cnc(-c2ccccn2)s1 2325827819 RBFQBTKYVDCWIN-FOIQADDNSA-N 355.551 5.605 0 50 FKAA COc1cc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(OC)cc1Cl 996658 JHRDPZFQWROUQV-DHZHZOJOSA-N 373.880 5.307 0 50 FKAA S=C(NCc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 1410863 WIBSZKVBGFJFNB-UHFFFAOYSA-N 368.889 5.619 0 50 FKAA CCCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 2572313 OLOUBUXJZMJBPV-UHFFFAOYSA-N 353.462 5.193 0 50 FKAA O=C(NCCC1=CCCCC1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 2874788 GCZJWLOJXPQOQT-UHFFFAOYSA-N 372.468 5.024 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1c(Cl)cccc1Cl 5091813 PILDBWIBVSGCFZ-UHFFFAOYSA-N 356.208 6.145 0 50 FKAA CCCc1cc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cs1 6937123 VZMFOUQRQBPGKQ-UHFFFAOYSA-N 363.939 5.442 0 50 FKAA Clc1ccc(COc2ccc(CNCc3cccnc3)cc2)c(Cl)c1 8419377 XVVABQJZUFLNEN-UHFFFAOYSA-N 373.283 5.257 0 50 FKAA CCC(=O)N(Cc1cccc(OCCc2cccs2)c1)C1CCCC1 11882365 SIBUKQFQMHNVKE-UHFFFAOYSA-N 357.519 5.051 0 50 FKAA Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2Br)c1 36621199 KMRIIGSXWMAXEY-QGZVFWFLSA-N 359.267 5.127 0 50 FKAA Nc1ccc(/C(=C(\c2ccccc2)c2ccc(N)cc2)c2ccccc2)cc1 143733836 FZIHVNZJLMYTFH-OCEACIFDSA-N 362.476 5.858 0 50 FKAA FC(F)(F)[C@@H](N[C@@H]1CCCc2ncccc21)c1ccc2ccccc2c1 2325828571 LEYKEBTUAFAZJW-UXHICEINSA-N 356.391 5.505 0 50 FKAA O=C(Nc1ccccc1Br)c1ccc(-c2ccccc2)cc1 755670 NPKRHTPFOVDPJX-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA C[C@H]1Cc2ccccc2N1C(=O)c1sc2cc(Cl)ccc2c1Cl 1183760 GWRWAXHWHAQTLZ-JTQLQIEISA-N 362.281 5.800 0 50 FKAA Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 1218973 QDCNSGDKGUYKGB-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA CC(C)(C)c1cc(C(=O)Oc2ccc3ccccc3c2)cc(C(C)(C)C)c1 2079046 MKOMQIPRERQNBI-UHFFFAOYSA-N 360.497 6.654 0 50 FKAA Cc1ccccc1C(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2)C[C@H]1C 2260597 IPICHAAZNFFADX-XXBNENTESA-N 370.496 5.896 0 50 FKAA CC[C@H](C)NCCCCOc1ccc2ccccc2c1Br 2821829 PLSZHHGOGFZSJZ-AWEZNQCLSA-N 350.300 5.149 0 50 FKAA COc1cc2c(cc1OC)[C@@H](c1ccc3oc4ccccc4c3c1)OCC2 6668287 DHISVKZGFROTOX-HSZRJFAPSA-N 360.409 5.265 0 50 FKAA Cc1cc(Nc2ccc(F)cc2)n2nc(C)c(-c3ccccc3Cl)c2n1 23114928 VKSWMTBIXIEELD-UHFFFAOYSA-N 366.827 5.549 0 50 FKAA CCCCCn1nc(C(=O)Oc2cccc3ccccc23)c2ccccc21 299817167 JBVNFKZVDLFOAY-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro Fc1cccc(-c2ccc(Nc3ccc(Cl)c(Cl)c3)nc2)c1F 2356150138 NNBHCFBEDCUQLT-UHFFFAOYSA-N 351.183 6.077 0 50 FKAA COc1ccc([C@H](CC(=O)C(C)(C)C)[C@@H]2CCc3ccccc3C2=O)cc1 641877 ZZYKBSGXGACMPA-SFTDATJTSA-N 364.485 5.229 0 50 FKAA Cc1cccc(C)c1NC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1 649024 QOSHHTSRQHYLRI-UHFFFAOYSA-N 371.480 5.623 0 50 FKAA O=C(Nc1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 851405 XEGDBJXMGWBEIG-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1C 951818 SQUVUTWGDTULNM-UHFFFAOYSA-N 351.446 5.045 0 50 FKAA Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1 995222 NWYFNGAQXJNTJF-UHFFFAOYSA-N 366.464 5.183 0 50 FKAA O=C1C[C@H](c2ccccc2)SC(N(c2ccccc2)c2ccccc2)=N1 1132284 WIKOYZFVDYYDNM-HXUWFJFHSA-N 358.466 5.586 0 50 FKAA O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 1154561 SRACBAGJRAOJPG-FMIVXFBMSA-N 374.827 5.800 0 50 FKAA CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 1158035 PEEOJULYAAQEOX-OAQYLSRUSA-N 360.482 5.488 0 50 FKAA O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)cc1 1227142 SQGRGDXLHSCJBM-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1 2846241 FWSSYVLPSPYEJD-QGZVFWFLSA-N 365.448 5.264 0 50 FKAA Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 2943497 LSHPFQMZSXZEDI-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA CCCCCC1CCC(c2ccc(NC(=O)CCCC(=O)O)cc2)CC1 5860112 YOEZYHKJHIIKDR-UHFFFAOYSA-N 359.510 5.734 0 50 FKAA Clc1ccc(COc2cccc(CNCc3ccccn3)c2)c(Cl)c1 6704119 FLQMSFZJMODACC-UHFFFAOYSA-N 373.283 5.257 0 50 FKAA CCC(=O)N(Cc1cccc(OCc2ccc(F)cc2)c1)C1CCCC1 12217939 CZESYOUBLLMXON-UHFFFAOYSA-N 355.453 5.086 0 50 FKAA CC[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 13328990 HNTNSPIGVYUOEW-HNNXBMFYSA-N 356.775 5.632 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1C 20603121 RWZSGIXRFDXJFL-UHFFFAOYSA-N 367.374 5.781 0 50 FKAA C[Si](C)(C)[C@H]1[C@H](C(=O)c2ccccc2)C1(c1ccccc1)c1ccccc1 169828974 OWSVNRXYZSVKIP-UPVQGACJSA-N 370.568 6.194 0 50 FKAA CC1=C(C)[C@]2(C)[C@](C)(OC(=O)c3ccc(Br)cc3)[C@H](C)[C@]12C 216355128 XCKBIRVNXHZZSU-WEZQJLTASA-N 363.295 5.377 0 50 FKAA O=C(c1c(Cl)cccc1Cl)[C@H](O)c1c(Cl)cccc1Cl 641930 SYVSGJRUIYIBRO-CYBMUJFWSA-N 350.028 5.217 0 50 FKAA COc1ccc(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)cc1 859862 KCULYOWWVWRTTD-UHFFFAOYSA-N 372.399 5.302 0 50 FKAA Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c(C)c1 1112045 RDVSPOXXENBFML-UHFFFAOYSA-N 372.493 5.001 0 50 FKAA Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)cs1 1141285 WXTAIQKUIXCKQE-UHFFFAOYSA-N 374.918 5.503 0 50 FKAA Cc1nn(C(=O)N(c2ccccc2)c2ccccc2)c(C)c1Br 1157573 QUPMBDTZVJWOES-UHFFFAOYSA-N 370.250 5.069 0 50 FKAA O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)[nH]c1=S)c1ccccc1 1241987 FDYTZUWLDOIJEA-UHFFFAOYSA-N 370.477 5.763 0 50 FKAA O=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1 1383004 UGQLQYCGDGFRJZ-SOFGYWHQSA-N 359.256 5.185 0 50 FKAA O=C(CCc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 2859207 HRTYVTFZTFFYSO-UHFFFAOYSA-N 351.833 5.704 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1 2978803 AOXOKZQOXOQMDE-UHFFFAOYSA-N 369.635 5.112 0 50 FKAA CC1=C(CCN2CCC(CCC(=O)N3CCCC3)CC2)C(C)(C)CCC1 12705716 VLIMCJICWQGWFA-UHFFFAOYSA-N 360.586 5.018 0 50 FKAA CCCCOc1c(Cl)cc(CNCCc2ccccc2)cc1OCC 20501003 IXCCUNKYQHUTOH-UHFFFAOYSA-N 361.913 5.250 0 50 FKAA COc1ccc(C2=NN3[C@H](c4cccc(F)c4)Oc4ccccc4[C@H]3C2)cc1 245312305 TWFRILUTZSKQGL-GGAORHGYSA-N 374.415 5.077 0 50 FKAA Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1Cl 648802 UGSMRKYUZFBGIR-UHFFFAOYSA-N 370.688 6.422 0 50 FKAA CCCc1ccc(-c2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 695988 BUWATEPPBMCTNX-UHFFFAOYSA-N 371.893 6.060 0 50 FKAA CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 842366 UTIUUGLHEPORGY-UHFFFAOYSA-N 374.465 5.614 0 50 FKAA Cc1ccnc(SC(=O)N2c3ccccc3Sc3ccccc32)n1 912711 VTDCOZICRXDXFP-UHFFFAOYSA-N 351.456 5.300 0 50 FKAA O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 1115162 ZYXVWCNTHJJPEG-UHFFFAOYSA-N 364.059 5.622 0 50 FKAA CCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2OC)cc1Cl 1126364 FXHQOWMYCJMHJG-UHFFFAOYSA-N 374.651 5.306 0 50 FKAA Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 1157967 OGUVZOKIUMQWPF-UHFFFAOYSA-N 372.877 5.098 0 50 FKAA O=C(Oc1ccc(CSc2nc3ccccc3o2)cc1)c1ccccc1 2678943 BVPSRDXEYSXKIP-UHFFFAOYSA-N 361.422 5.339 0 50 FKAA CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CC(C)C)cc1 2851164 PJZKOGYJJBHFTI-UHFFFAOYSA-N 365.429 5.047 0 50 FKAA O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 2885493 CKTWFFUWJXTHAY-UHFFFAOYSA-N 350.417 6.240 0 50 FKAA O=C(CCNc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 12960577 JKVQGYUGTFAVEJ-UHFFFAOYSA-N 369.386 6.057 0 50 FKAA CC(C)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19324572 YRDCDWLKOVAXHO-UHFFFAOYSA-N 370.540 5.827 0 50 FKAA O=C1c2cccnc2Oc2ccccc2N1Cc1cccc(C(F)(F)F)c1 221272700 QXEYKKTZNNUPRA-UHFFFAOYSA-N 370.330 5.053 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 244719213 LYTULOLEGBNPAR-LRDNVRMFSA-N 372.723 5.443 0 50 FKAA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253609843 YHTRVWPOAJKWBV-DGVSVCMESA-N 374.609 6.625 0 50 FKAA C[C@@H](NC1CC(c2cccc(Cl)c2)C1)c1ccc(Cl)c2ccccc12 2325870428 XWZWVUUNBSFYHF-MXWWQKGMSA-N 370.323 6.743 0 50 FKAA CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 947466 VCLILQIXSRZBAK-BJMVGYQFSA-N 369.770 5.409 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccs1 1031235 MKQZULLTRMTSMW-UHFFFAOYSA-N 355.271 5.431 0 50 FKAA CC1(CNC(=O)c2ccc(Cl)cc2Cl)C2CC3CC(C2)CC1C3 1157956 HBUHFDILNGABBY-UHFFFAOYSA-N 352.305 5.186 0 50 FKAA CCOc1cc(OCC)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 1179029 DOCAAMYOJMPXCI-UHFFFAOYSA-N 354.233 5.043 0 50 FKAA CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3F)cc2)cc1 2079123 ARJMMZRKUGQCIZ-UHFFFAOYSA-N 363.432 6.168 0 50 FKAA c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)nc2c1 2490582 WFYSPVCBIJCZPX-UHFFFAOYSA-N 362.388 6.456 0 50 FKAA in-vitro O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccs1 3900843 ABUVPFGMOSETEU-UHFFFAOYSA-N 362.479 5.791 0 50 FKAA CC[C@H](C)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 13329981 ULBJPECXFVLLMG-QWHCGFSZSA-N 365.304 6.390 0 50 FKAA COc1cccc(-c2csc(-c3c(C)ncc4c3[C@@H](C)CCC4)n2)c1 72447049 NNRGRHUGDYNLHL-ZDUSSCGKSA-N 350.487 5.629 0 50 FKAA O=C(c1cccs1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1 328596863 AZBVJOVUADSLAB-GOSISDBHSA-N 366.873 5.393 0 50 FKAA CC1(C)[C@H](c2ccccc2)N(O)C(c2ccccc2)=C(c2ccccc2)[N+]1=O 334157293 JFWXCHREBUGAMR-QHCPKHFHSA-N 371.460 5.516 0 50 FKAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 1875303081 UQQDLCSAEXJWHG-UHFFFAOYSA-N 373.301 5.367 0 50 FKAA C[C@H](CCCc1cccnc1)NC(=O)N[C@H](C)c1cc2ccccc2s1 1875307557 QLHTUXDAYSQMKI-HZPDHXFCSA-N 367.518 5.068 0 50 FKAA c1ccc(COc2ccc3ccccc3c2CNCc2cccnc2)cc1 806068 GOMQVUARCRRAKN-UHFFFAOYSA-N 354.453 5.104 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(F)c1 855960 USNGTWIJXFTREV-IERDGZPVSA-N 360.432 5.418 0 50 FKAA CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C)cc1C 949013 TTXROJZOVIIFEX-UHFFFAOYSA-N 364.445 5.171 0 50 FKAA O=C(Oc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)C1CCCCC1 1236762 AQSFRGIVRSRPEC-UHFFFAOYSA-N 366.388 5.085 0 50 FKAA CCc1c(C(=O)c2ccc(Cl)cc2)oc2ccc3c(C)cc(=O)oc3c12 1317806 FGGYNITVQMLMKW-UHFFFAOYSA-N 366.800 5.294 0 50 FKAA biogenic COc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1 1748215 ZSPSAWUVLZHXEC-UHFFFAOYSA-N 370.326 5.641 0 50 FKAA Cc1cccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)c1C 1786424 PVIOEXXQNQDNEJ-UHFFFAOYSA-N 366.505 5.091 0 50 FKAA O=c1oc2cc(OCc3cccc(C(F)(F)F)c3)ccc2c2c1CCCC2 1902791 JXQAYBZTKNBIAD-UHFFFAOYSA-N 374.358 5.270 0 50 FKAA CC1(C)Nc2ccccc2-c2c1sn(-c1cccc3ccccc13)c2=S 2069957 YQRQSZUIIRCRFM-UHFFFAOYSA-N 374.534 6.749 0 50 FKAA CC[C@@H](C)C(=O)N1c2cc(C)ccc2-c2c(ssc2=S)C1(C)C 2270467 ODRVVAKVXMCCFG-LLVKDONJSA-N 363.573 6.142 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)COc3cccc(C)c3C)ccc21 2823317 UTSPEYDUSDJJSJ-UHFFFAOYSA-N 372.468 5.449 0 50 FKAA O=C(C[C@H](Nc1cccc(Cl)c1)c1ccc(F)cc1)c1ccccc1 2873330 UEOQDSSPCODCBQ-FQEVSTJZSA-N 353.824 5.905 0 50 FKAA Cc1cc(Cl)cc(C)c1OCCCCOc1c(C)cc(Cl)cc1C 2885598 BEQSBWHSSFGGIL-UHFFFAOYSA-N 367.316 6.465 0 50 FKAA CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1ccc1c(O)cccc21 4913800 ZVIFSBLFDAPJEG-LJQANCHMSA-N 361.441 5.198 0 50 FKAA CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@H]2c3ccc(OC)cc3CC[C@H]21 19899057 WVDKBHOKKLQPOC-ZGFBMJKBSA-N 362.513 5.880 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1 36294590 JLXYYSHMURZHKI-UHFFFAOYSA-N 367.492 6.730 0 50 FKAA in-vivo CC(C)(C)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950678 WXXISBYYNXNWSD-UHFFFAOYSA-N 372.804 5.190 0 50 FKAA O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccc(Cl)cc1Cl 4725028 VFKQFNQKYKOBSB-UHFFFAOYSA-N 366.191 5.858 0 50 FKAA Cc1ccc(N(Cc2ccco2)[S@](=O)c2ccc3ccccc3c2)cc1 4863870 UGVIPVSCQJSFEJ-SANMLTNESA-N 361.466 5.471 0 50 FKAA Cc1ccc(C(=O)C23CC4CC(C2)CC(C(=O)c2ccc(C)cc2)(C4)C3)cc1 4977820 KKSGOBVNMOOBRM-UHFFFAOYSA-N 372.508 5.956 0 50 FKAA Cc1ccc[n+](CCCCCCCCCCCC[n+]2cccc(C)c2)c1 13859952 CCQHPDHXIMQHDZ-UHFFFAOYSA-N 354.582 5.480 0 50 FKAA in-vitro COc1ccc(OC)c(-c2nc(CN(C)CCCC3CCCC3)c(C)o2)c1 19113643 OEGVOGQXYVABMG-UHFFFAOYSA-N 372.509 5.069 0 50 FKAA CC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3CCc4c(C)ccc(Cl)c4[C@H]3CC[C@]21C 71767219 CLRZSUROXBJNDN-PEWUMXJESA-N 360.925 5.826 0 50 FKAA Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C=C(c1cccs1)N2 100716821 SGSHQQQCFBWHCX-CQSZACIVSA-N 363.273 5.011 0 50 FKAA Cc1nc(-c2ccccn2)sc1-c1ccnn1-c1ccc(Cl)cc1 221546072 XOGNXBLYPXSOQH-UHFFFAOYSA-N 352.850 5.020 0 50 FKAA CC1=C(C)[C@@]2(C)[C@@]1(C)[C@@H](C)[C@@]2(C)OC(=O)c1ccc(Br)cc1 253600713 XCKBIRVNXHZZSU-CODKJTEISA-N 363.295 5.377 0 50 FKAA CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(C)[C@H](C)O)[C@H]3CC[C@@]2(C)C1 257347699 QUWRCMPXPZEVLG-UUDPYLCGSA-N 362.598 5.821 0 50 FKAA CCc1ccccc1-c1ccc(C(=O)N2CCC([C@@H](C)COC)CC2)cc1 426494721 YUDZPYUCJWLRJT-SFHVURJKSA-N 365.517 5.051 0 50 FKAA COc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OC 1141971 UXBOTMJYBHICFE-UHFFFAOYSA-N 370.674 5.040 0 50 FKAA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc(F)c1 1768647 AWGOEBGENGKRET-RUZDIDTESA-N 373.471 5.961 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1 2857700 KBTFQANKKVPXJO-UHFFFAOYSA-N 370.811 5.702 0 50 FKAA Clc1ccccc1OCCOCCn1c2ccccc2c2ccccc21 2991799 MMIPXPFDMHGTMT-UHFFFAOYSA-N 365.860 5.544 0 50 FKAA CCCN1CC[C@H](c2cc(OC)c(OC)c(OC)c2)Sc2ccccc21 12041376 JSTLYJCIXYLDDG-LJQANCHMSA-N 373.518 5.166 0 50 FKAA CCCC[C@H](F)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 97758831 RUJXGVGAOVOROW-IBGZPJMESA-N 373.471 6.554 0 50 FKAA in-vitro O=C(Nc1ccc(Cl)cc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 101665218 MUZUZXBNNZQLPH-AAVRWANBSA-N 358.696 5.135 0 50 FKAA aggregator CCCCCC[Si]1(CCCCCC)c2ccsc2-c2sccc21 200630824 OYMRXOLIWITNQN-UHFFFAOYSA-N 362.680 6.514 0 50 FKAA C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@@H]1C[C@@H]1c1ccccc1 2325866452 LHQDCEQZYKNGEU-BTSRZBPPSA-N 368.908 5.077 0 50 FKAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(Cl)c(Cl)c1 669702 RAYWFGZUPGVGRG-LLVKDONJSA-N 372.679 5.039 0 50 FKAA CCOC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1)C(=O)CC(C)(C)C2 786378 RSHHRXZJISZKDQ-UHFFFAOYSA-N 371.864 5.042 0 50 FKAA O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc2ccccc2o1 841532 LUPIYRVIUVLBCY-UHFFFAOYSA-N 353.381 5.228 0 50 FKAA Cc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(C)c(C)c2)cc1 993205 YMENHLWFFICUGS-UHFFFAOYSA-N 373.452 5.126 0 50 FKAA C[C@]1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1(Cl)Cl 1051448 QSOABOIDBTWTDF-MRXNPFEDSA-N 354.664 5.428 0 50 FKAA COc1ccc(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 1144803 FHCKDEVWHHAAQG-UHFFFAOYSA-N 352.261 5.272 0 50 FKAA CCCCN(CCCC)C[C@H](O)Cn1c2ccccc2c2ccccc21 2318349 VMKNAVPWVKCODF-IBGZPJMESA-N 352.522 5.058 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2816136 KURGVKCHBFOSBV-ZIAGYGMSSA-N 374.189 5.231 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1C 5061544 ZMBAXOFXAILSGX-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA Cc1cccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1C 55543097 NOTFDGCORKMBJX-UHFFFAOYSA-N 356.513 5.293 0 50 FKAA CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 1875337625 BPQCKVWRPZXVBL-UHFFFAOYSA-N 365.404 5.567 0 50 FKAA Clc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 867594 WOMWXGLAAIBDEW-UHFFFAOYSA-N 367.861 5.473 0 50 FKAA Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)CCc3ccccc3)cc2)c1 959480 DTAUUPILEKSTRN-UHFFFAOYSA-N 373.452 5.094 0 50 FKAA Cc1cc(NC(=O)/C=C/c2ccccc2Cl)ccc1Br 1214624 JCMAMMRSOXWXOR-RMKNXTFCSA-N 350.643 5.063 0 50 FKAA Cc1cc(C)c(C(=O)c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(C)c1 1228675 HCHOFZNDRIVSLR-UHFFFAOYSA-N 351.490 5.102 0 50 FKAA CN(c1ccccc1)c1c(F)c(F)c(N(C)c2ccccc2)c(F)c1F 2173319 SULAOJVMMYGAND-UHFFFAOYSA-N 360.354 5.779 0 50 FKAA Cc1ccccc1OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2578235 MFMDSLOWBGDWKM-UHFFFAOYSA-N 373.839 6.083 0 50 FKAA CCC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(C)cc2)C1 5916761 UPUIMRSQSHXYJT-MRXNPFEDSA-N 370.562 5.110 0 50 FKAA CC(C)OC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Br 6616643 DLHWTPHQQMUIKC-UHFFFAOYSA-N 362.434 5.333 0 50 FKAA CC[C@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 13328954 HEWCXGQDSPQWMY-ZDUSSCGKSA-N 357.668 5.920 0 50 FKAA CC(C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 13330023 FCPQQJKKUCFTRS-LBPRGKRZSA-N 372.317 5.156 0 50 FKAA C[Si](C)(C)[C@@]1([C@@H](O)c2ccccc2)CC1(c1ccccc1)c1ccccc1 169828999 DGDDYYWJAPYTEG-UKILVPOCSA-N 372.584 6.189 0 50 FKAA CC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 955032 QJXKJRVZHDWVGM-CXUHLZMHSA-N 371.436 5.120 0 50 FKAA CSc1cccc(NC(=O)c2csc3c2CC[C@H](C(C)(C)C)C3)c1 1009299 NYYZTEOLIJHLKE-ZDUSSCGKSA-N 359.560 5.873 0 50 FKAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1141249 MLGGUMNPZQUCEE-JOCHJYFZSA-N 361.441 5.062 0 50 FKAA O=C1C(Nc2ccc(F)cc2)=C2CCCCC=C2N1c1ccc(F)cc1 1422808 VPTBYWWASCYXHH-UHFFFAOYSA-N 352.384 5.136 0 50 FKAA CCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1917322 BTJKIPPDMJUBQT-UHFFFAOYSA-N 367.232 5.204 0 50 FKAA C[C@](OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 2001312 VBSPHZOBAOWFCL-QFIPXVFZSA-N 357.925 5.496 0 50 FKAA in-man CCCCOc1ccc(NC(=O)Nc2cc(F)c(F)cc2Cl)cc1 2176421 GKNOABLYGBCTCS-UHFFFAOYSA-N 354.784 5.441 0 50 FKAA COc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)cnn23)cc1 2432158 BRXPVKGPZXCGLH-UHFFFAOYSA-N 364.836 5.110 0 50 FKAA CSc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)cc1 2521015 RSVNAKZVKRMSER-BJMVGYQFSA-N 362.292 5.131 0 50 FKAA Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2977797 HLLUEVWEOYZPNL-SNVBAGLBSA-N 358.652 5.361 0 50 FKAA Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c(C)c1 4204850 YCDBVRAZYLXNPQ-LADGPHEKSA-N 354.453 5.546 0 50 FKAA Nc1ncnc2c1[C@@H](c1ccc(Cl)cc1)c1c(ccc3ccccc13)O2 4499279 MTMJIBMGIQTLOE-KRWDZBQOSA-N 359.816 5.151 0 50 FKAA Cc1cc(Br)ccc1NC(=O)c1ccccc1C(F)(F)F 4856649 QHCOWZJJFHQJBZ-UHFFFAOYSA-N 358.157 5.029 0 50 FKAA C[C@@H]1CC[C@@H](C(C)(C)C)[C@@H](OC(=O)CSc2nc3ccccc3[nH]2)C1 22204383 QOZAFYMLPRLTRP-CPUCHLNUSA-N 360.523 5.049 0 50 FKAA CC(C)(O)c1cccc(NC(=O)Nc2ccccc2-c2cccs2)c1 170616977 PBYBHRVTJMOKBS-UHFFFAOYSA-N 352.459 5.287 0 50 FKAA CC1=NN(c2ccc(C(=O)Nc3cccc(Nc4ccccc4)c3)cc2)CC1 170626760 TUGURUXCZMDJON-UHFFFAOYSA-N 370.456 5.269 0 50 FKAA Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C 1875358161 LWESMNWYYCTPMJ-UHFFFAOYSA-N 351.471 5.080 0 50 FKAA C[C@@H](N=c1[nH]c2cccnc2s1)c1ccc(-c2ccc(Cl)cc2)s1 2325878341 LRLJGNWKDKFSET-LLVKDONJSA-N 371.918 5.668 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 989426 FDKKOQVJBHVGAS-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1ccc2c(Cl)c(C(=O)NC34CC5CC(CC(C5)C3)C4)sc2c1 3900034 QWYQIVGLRJUVOG-UHFFFAOYSA-N 359.922 5.562 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c1 4043156 QEQLDVCJGIOMSW-UHFFFAOYSA-N 351.833 5.480 0 50 FKAA Cc1ccc(C)c(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)c1 4980249 XQPLNMFRMMGWOY-UHFFFAOYSA-N 368.524 5.197 0 50 FKAA Cc1ccc(Cn2ccc(NC(=S)Nc3cc(Cl)ccc3C)n2)cc1 13330808 QKACNCDAJCVXGO-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA S=c1nc(-c2sccc2OCc2ccc(Cl)cc2Cl)[nH][nH]1 13545048 ZHWRJEFPWDFZOG-UHFFFAOYSA-N 358.275 5.082 0 50 FKAA O=C(c1ccc(-c2ccc(F)cc2)s1)N(CC1CC1)c1cccnc1 135567605 KQADWAUEMULUDR-UHFFFAOYSA-N 352.434 5.006 0 50 FKAA FC(F)(F)c1cc(Cl)c2cnc(-c3c(Cl)cccc3Cl)n2c1 169799081 MPCCWSCXXDQUPE-UHFFFAOYSA-N 365.569 5.980 0 50 FKAA CCCn1c(C(=O)OC[C@H]2CCC3(CCCCC3)O2)cc2ccccc21 1875357758 VSWXVGYEUXXBAX-GOSISDBHSA-N 355.478 5.090 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(OC(F)F)c1 652585 HWZHSQWYFFPQCV-UHFFFAOYSA-N 355.340 5.333 0 50 FKAA Cc1c(Cl)cccc1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 1231134 ZLTNMFDQTUMGNO-IBGZPJMESA-N 361.872 5.593 0 50 FKAA CCc1ccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)cc1 1773481 WZYDUPCONCJAQC-UHFFFAOYSA-N 351.368 5.066 0 50 FKAA CCc1cccc(CC)c1NC(=O)/C(=C/c1ccccc1)c1ccccc1 1777351 MGCQYWNPOGORCE-PTGBLXJZSA-N 355.481 5.991 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)O)cc(-c3ccc(Cl)cc3Cl)nc12 2526082 AFRRVKFSTWXOKR-UHFFFAOYSA-N 366.631 5.869 0 50 FKAA Cc1ccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1 2840540 HMLMLRIAALMJNV-UHFFFAOYSA-N 370.477 6.038 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)o1 4833244 NJBJEQHVWKMLSN-UHFFFAOYSA-N 356.175 5.194 0 50 FKAA aggregator COc1ccccc1[C@@H]1CCCN1Cc1nc(-c2ccsc2)oc1C 15063961 XYYNONQYCCCRIQ-SFHVURJKSA-N 354.475 5.057 0 50 FKAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cc(C)nc2cc(F)ccc12 82157458 PASCUZZJGWYYMY-NRFANRHFSA-N 365.452 5.081 0 50 FKAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c(C)c1 245328145 SITHMOVLUSCACU-LFPSSSAGSA-N 352.305 5.098 0 50 FKAA CN(C(=O)[C@H]1CC[C@@H]1c1ccccc1Cl)c1cncc2ccccc12 2325864395 NLSYAMCPJDSBJI-AEFFLSMTSA-N 350.849 5.045 0 50 FKAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 633655 JFZWUMXIKZJGBF-UHFFFAOYSA-N 352.261 5.443 0 50 FKAA Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1C 639068 AQABTTMYROJOOL-UHFFFAOYSA-N 366.482 5.545 0 50 FKAA O=C(NCc1ccco1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 656457 GYIBJSCOPQRMBI-UHFFFAOYSA-N 368.845 5.140 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)c2ccc(C)cc2)cc1 668809 XQEWOLCGTWUVFW-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)CSc4ccccc4)cc3)nc2c1 1116812 AGVVOBWXHKEBOS-UHFFFAOYSA-N 374.465 5.534 0 50 FKAA CCc1ccc2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 1218929 LXFNSWIKQGPFCU-UHFFFAOYSA-N 360.388 5.449 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccc1 1232648 DZFFLNFMRULEJA-UHFFFAOYSA-N 371.267 5.905 0 50 FKAA Cc1ccc2nc(-c3ccc(OC(=O)c4ccccc4F)cc3)sc2c1 2061940 SRBIYHMYFYVUFM-UHFFFAOYSA-N 363.413 5.630 0 50 FKAA Cn1cc(C(c2cccnc2)c2cn(C)c3ccccc23)c2ccccc21 4998386 QFMNLWKMWUGQQG-UHFFFAOYSA-N 351.453 5.245 0 50 FKAA COc1cccc(Nc2cc(C)nc3c(-c4ccccc4Cl)cnn23)c1 23114956 MWDSUPVVSFRCMJ-UHFFFAOYSA-N 364.836 5.110 0 50 FKAA COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 26920699 RXIIOSXDKVZUAU-FYYLOGMGSA-N 374.415 5.077 0 50 FKAA CCCCCn1cc(C(=O)Oc2cnc3ccccc3c2)c2ccccc21 95726721 HEHZKKPXIYMZJA-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro Cc1cc(C(=O)Nc2cnc3ccccc3c2)c(C)n1Cc1cccs1 170641175 YPDROXUMMDDKHT-UHFFFAOYSA-N 361.470 5.015 0 50 FKAA CC[C@H](Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2743118 KGFWVIIWPRCWNT-HNNXBMFYSA-N 357.759 5.155 0 50 FKAA CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)CCCC)c2)cc1 2829783 UENWRAJIUYFXKZ-UHFFFAOYSA-N 368.477 5.247 0 50 FKAA COc1ccccc1Nc1nc(C(F)(F)F)c(-c2ccccc2)s1 3878405 PGDLZKOELDBNJF-UHFFFAOYSA-N 350.365 5.581 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2Cl)o1 4542683 WBMOOHXDBLGZAO-UHFFFAOYSA-N 366.631 6.159 0 50 FKAA O=C(C[C@@H](Nc1ccc2ccccc2c1)c1ccncc1)c1ccccc1 5395034 HTXGDPZJUGWXER-HSZRJFAPSA-N 352.437 5.661 0 50 FKAA CC(C)Cc1ccc([C@H](NC(=O)c2cc3c([nH]2)CCCC3)C(C)C)cc1 1875318850 XAVXCKKRLTYNKN-JOCHJYFZSA-N 352.522 5.219 0 50 FKAA Brc1ccc(-c2csc([C@@H]3COc4ccccc4O3)n2)cc1 787407 QUEPOPUELWBINP-INIZCTEOSA-N 374.259 5.085 0 50 FKAA O=C(CSCc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 1118259 HZHWIQGRWODIFG-UHFFFAOYSA-N 360.693 5.519 0 50 FKAA COc1ccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)cc1 20603084 URASCWBRDQAQLZ-UHFFFAOYSA-N 369.346 5.173 0 50 FKAA O=C(c1cccc2ccccc12)c1nn(CCCCCF)c2ccccc12 96024682 DULWRYKFTVFPTL-UHFFFAOYSA-N 360.432 5.560 0 50 FKAA in-vitro BrC1=Cc2ccc3cc(Br)cc4c3c2C(=CC4)C1 215974558 AQKNPQJQZBLIHP-UHFFFAOYSA-N 362.064 5.681 0 50 FKAA CC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@H]3CC[C@H]2C1(C)C 254838268 AUBLWSIZTYPLHL-XGGMCMJJSA-N 360.538 5.166 0 50 FKAA Cc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1Cl 1064455 RYGUHMYLFNJSJT-UHFFFAOYSA-N 358.265 5.313 0 50 FKAA Nc1c(C(=O)Nc2ccc3ccccc3c2)sc2nc3c(cc12)CCCC3 1154347 SITDUAWWTWMILE-UHFFFAOYSA-N 373.481 5.163 0 50 FKAA CCOC(=O)c1c(C)oc2cc(Br)c(OCC=C(C)C)cc12 1155755 XXABAUWQWQUWMG-UHFFFAOYSA-N 367.239 5.025 0 50 FKAA biogenic O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccccc1 1217259 MFOAIXJDAYTAHN-UHFFFAOYSA-N 363.269 5.293 0 50 FKAA O=C(/C=C/c1ccco1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2329345 UXMNKMZCUSDEPM-BUHFOSPRSA-N 356.381 5.254 0 50 FKAA S=C(NCCOc1cccc2ccccc12)Nc1cccc2ccccc12 2873392 SEAZVYRABZYREY-UHFFFAOYSA-N 372.493 5.358 0 50 FKAA COc1ccc2cc([C@@H](C)Nc3nncc(-c4ccccc4C)n3)ccc2c1 12612233 REQSZPZUQAAMTL-MRXNPFEDSA-N 370.456 5.182 0 50 FKAA c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 60290787 QVGRURMQPVFYBL-UHFFFAOYSA-N 356.468 7.222 0 50 FKAA Cc1sc(-c2cccc(-c3nc4ccccc4[nH]3)c2)nc1-c1ccccc1 85999935 XGOPGTVJHYKAOQ-UHFFFAOYSA-N 367.477 6.329 0 50 FKAA O=C(c1ccc(-c2ccc(F)cc2Cl)cc1)N1CCC(F)(F)CC1 584896663 OBWFLWCJHGEZPR-UHFFFAOYSA-N 353.771 5.017 0 50 FKAA CCOC(=O)c1ccc(NC(=O)Sc2ccc(C(C)(C)C)cc2)cc1 641545 PCLDWBGNEMKPNO-UHFFFAOYSA-N 357.475 5.485 0 50 FKAA O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)N1CCCC1 668509 KFUSVROFXTVVAY-UHFFFAOYSA-N 371.267 5.445 0 50 FKAA O=C(NCCc1ccc(F)cc1)[C@H](Sc1ccccc1)c1ccccc1 1009116 VQNYEJZDOPRHGG-OAQYLSRUSA-N 365.473 5.018 0 50 FKAA O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Sc1ccc(F)cc1 1384319 BXMWXFMSAWCLKK-UHFFFAOYSA-N 374.440 5.642 0 50 FKAA CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 2299668 KJIZSIHXVSTHMC-CYBMUJFWSA-N 370.543 5.074 0 50 FKAA COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@H]32)cc(Cl)c1OC 15017425 SAMQLRWUOSLIIC-GKCIPKSASA-N 373.880 5.300 0 50 FKAA CCCc1ccc(C(=O)c2cn(CCC)c3ccccc23)c2ccccc12 42967152 BMOMWXXAVVSIRU-UHFFFAOYSA-N 355.481 6.388 0 50 FKAA in-vitro C[C@@H](Nc1ccc(Cl)c(CS(C)(=O)=O)c1)c1ccc2ccccc2c1 170629682 MLFHPRVLZDRTIM-CQSZACIVSA-N 373.905 5.211 0 50 FKAA Cc1cccc2c(CC(=O)N(CCC(F)(F)F)Cc3ccccc3)c[nH]c12 242284689 YIYQKGXBSFYYHW-UHFFFAOYSA-N 374.406 5.000 0 50 FKAA C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)Nc1ccc(F)cc1 1875305896 LWJOUQVCQFYRTQ-IBGZPJMESA-N 364.823 5.247 0 50 FKAA COc1ccccc1-c1coc2cc(OCc3ccc(C)cc3)ccc2c1=O 706958 SGANOWZGXKXRGG-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA biogenic CCOc1ccc(-c2csc3nc(-c4ccccc4C)oc(=O)c23)cc1 1766941 YTGVOWCNYMRKRJ-UHFFFAOYSA-N 363.438 5.291 0 50 FKAA CC(C)(C)c1cc(OC(=O)NC(=O)c2ccccc2)cc(C(C)(C)C)c1 2057881 OZJQTYZOHYXKGT-UHFFFAOYSA-N 353.462 5.210 0 50 FKAA O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 2532838 QUYOXLJKJXWIBL-UHFFFAOYSA-N 372.346 6.142 0 50 FKAA Cc1ccc(Sc2ccc(S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc1 3123150 VIUYQLKFROUJRG-UHFFFAOYSA-N 368.523 5.596 0 50 FKAA O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1Cl 3214038 VZEHVXYNOBVVCC-UHFFFAOYSA-N 355.271 5.431 0 50 FKAA COc1cc2c(cc1NC(=O)c1ccc3ccccc3n1)oc1ccccc12 3659542 FKQQPASEMMYGBE-UHFFFAOYSA-N 368.392 5.395 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(Cl)c1 4592630 ALRHKVLAAIMNPY-UHFFFAOYSA-N 356.208 6.145 0 50 FKAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCCC2)cc1 5064362 YQUVBDNTAQLNSX-UHFFFAOYSA-N 352.522 5.222 0 50 FKAA CC[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 13328986 QWQQNHTULDFLBY-AWEZNQCLSA-N 356.775 5.632 0 50 FKAA CCCOc1ccc(-c2nc(Cl)c3oc(-c4ccccc4)nc3n2)cc1 227156297 PWKLZZIESCXWQS-UHFFFAOYSA-N 365.820 5.394 0 50 FKAA Cc1ccc(OCc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1C 651560 XFKCRJXBHUJYDF-LJQANCHMSA-N 371.480 5.474 0 50 FKAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 826635 UKASJBZQOFNKHB-UFBFGSQYSA-N 353.076 5.523 0 50 FKAA COc1ccccc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 1143409 DGRTZIIPKBBLPU-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)OCCOc1ccccc1Cl 1753769 AOWNFEYLLPNJLG-UHFFFAOYSA-N 360.624 5.274 0 50 FKAA O=C(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(Cl)cc2)cc1 2023545 UJOJIBQOYNBSPY-UHFFFAOYSA-N 355.220 5.455 0 50 FKAA CC(C)CCC[C@@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2110997 HXWPYCIMJMUQQY-NQIIRXRSSA-N 355.547 5.851 0 50 FKAA Clc1ccc(-c2noc(-c3cc(Br)ccc3Cl)n2)cc1 2850704 IAUZPCSEHMRHHS-UHFFFAOYSA-N 370.033 5.473 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 2866441 LJPIIMXMHWIFJQ-SFHVURJKSA-N 361.510 5.778 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccco1 4498912 CSHHKOJCPNRDGU-XETSTGILSA-N 358.441 5.271 0 50 FKAA c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c3c2CCCC3)cc1 5490631 FORUEFMJECXMII-UHFFFAOYSA-N 362.496 6.176 0 50 FKAA C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccc(Cl)cc1 221968945 SGXGVJNDEPDVHK-LUIVIUGWSA-N 352.305 5.095 0 50 FKAA Clc1ccc(CSc2nnc3sc4ccccc4n23)cc1Cl 628729 JYMMNSSBNKLXEY-UHFFFAOYSA-N 366.298 5.543 0 50 FKAA Cc1ccc(NC(=O)OC2CCCCC2)cc1NC(=O)OC1CCCCC1 640544 JFJHOJGCNJIISJ-UHFFFAOYSA-N 374.481 5.757 0 50 FKAA CC1(C)C[C@@H](c2nc(-c3ccc(Br)cc3)cs2)CCO1 754672 WJJSRODBFJSOON-LBPRGKRZSA-N 352.297 5.245 0 50 FKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 2141593 XIQZUQRJHJIPFH-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)Nc2cc(C(=O)OC)ccc2C)cc1 2853294 QTVGEGQCCVDDFD-ZDUSSCGKSA-N 356.491 5.104 0 50 FKAA Cc1ccc(S[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1 2857409 OPRFINLASBPGAH-AWEZNQCLSA-N 365.951 5.038 0 50 FKAA Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1Cl 8288079 HTAHEUGCLZUMCQ-UHFFFAOYSA-N 370.836 5.085 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCCc2ccccc21 13320485 CTKGVQHJVNUMEE-UHFFFAOYSA-N 354.759 5.344 0 50 FKAA CCC/C=C/CN1CCC[C@@H]1c1ccc(C(=O)Nc2c(C)noc2C)s1 20781516 MZCFZWOZKRWDAK-FYCOFBDGSA-N 373.522 5.098 0 50 FKAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)c2ccccc2)cc1 25781751 GVAPYEFIDJPHCU-VWNXMTODSA-N 370.452 5.112 0 50 FKAA COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCCC[C@H]23)cc(Cl)c1OC 35360470 SAMQLRWUOSLIIC-VOBQZIQPSA-N 373.880 5.300 0 50 FKAA CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)cc2)cc1 45074642 XFNDFNOXZWWULM-UHFFFAOYSA-N 372.556 7.859 0 50 FKAA CSc1ccc(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1 47394902 XPVKSIXRUSFXGV-UHFFFAOYSA-N 354.397 5.091 0 50 FKAA CN(Cc1cccnc1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 55371041 PJZHKGFQIZMNBY-UHFFFAOYSA-N 374.532 5.162 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)s1 995206 CXWBDLQQWNPHSL-UHFFFAOYSA-N 362.429 5.663 0 50 FKAA Cc1cccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc12 1049273 WRLWJDDDDBHKPW-UHFFFAOYSA-N 358.875 5.725 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)N[C@H](C)c2cc(OC)ccc2OC)cc1 1120598 GLYZPMSFLGUUDB-LSDHHAIUSA-N 372.534 5.265 0 50 FKAA CC(C)CC(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 1155452 LQKMMYQWMKDYJX-UHFFFAOYSA-N 373.250 5.242 0 50 FKAA Cc1ccc2oc(-c3cc(NC(=O)c4ccco4)ccc3Cl)nc2c1 1180425 DIULYIGRGBVLOW-UHFFFAOYSA-N 352.777 5.302 0 50 FKAA Cc1ccc(OCCCC(=O)NC(c2ccccc2)c2ccccc2)cc1 1773363 AQWKLCCNMSQWHB-UHFFFAOYSA-N 359.469 5.060 0 50 FKAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccc(C)cc1 1797493 SLESCBPXLHPDFS-UHFFFAOYSA-N 370.448 5.910 0 50 FKAA Cc1ccccc1CSc1nnc(SCc2ccc(F)cc2)s1 2373404 NRGKTVPTHGSIQJ-UHFFFAOYSA-N 362.520 5.570 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccccc2)cc1 2984283 BZLBMCQXMQBRBI-UHFFFAOYSA-N 367.901 6.193 0 50 FKAA CCn1c2ccccc2c2cc(CNCc3ccc(OC)cc3OC)ccc21 4124097 QYTCOYRDRMPWPU-UHFFFAOYSA-N 374.484 5.121 0 50 FKAA Nc1ncnc2c1[C@H](c1ccc(Cl)cc1)c1c(ccc3ccccc13)O2 4499280 MTMJIBMGIQTLOE-QGZVFWFLSA-N 359.816 5.151 0 50 FKAA CCCCOC(OCCCC)[P@@](=O)(OCCCC)c1ccccc1 4948674 YTQLYJGNDVUJTF-DEOSSOPVSA-N 356.443 5.324 0 50 FKAA CC(C)=CCC[C@@H](C)CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 14996934 NBEVJNPUGAFVMG-GOSISDBHSA-N 366.505 5.031 0 50 FKAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]3(C)c2ccccc2)cc1 248184682 GVAPYEFIDJPHCU-ISKFKSNPSA-N 370.452 5.112 0 50 FKAA CSc1ccccc1-c1cccc(C(=O)N(C)CC[C@@H]2CCCCO2)c1 299802409 LQPNYMRXIOPISS-IBGZPJMESA-N 369.530 5.107 0 50 FKAA CCOc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](CC)CC3)CC2)c(F)c1F 2088621033 ZMZVSCAMMZODSU-OPMHRUBESA-N 350.493 6.854 0 50 FKAA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Cl)c(Cl)c1 629943 CACQDFRWLWVMLS-UHFFFAOYSA-N 361.011 5.101 0 50 FKAA CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccccc3Br)cc21 677452 YSSSAXPCXMLJAV-UHFFFAOYSA-N 372.262 5.276 0 50 FKAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc2ccccc12 726842 MAQQCLUPHCAFDZ-UHFFFAOYSA-N 364.404 5.900 0 50 FKAA COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1 1110484 AHNOOEKSIRHADI-QFIPXVFZSA-N 359.469 5.473 0 50 FKAA CC(C)Oc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 1151483 PNZHIKSQOTVFDS-UHFFFAOYSA-N 357.759 5.398 0 50 FKAA CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3cccc(F)c3)s2)cc1 1179182 QRPLZCDTICLHJW-UHFFFAOYSA-N 370.453 5.286 0 50 FKAA O=C(/C=C/c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 1220878 VVWMXNYOIPWORD-MDZDMXLPSA-N 354.862 5.039 0 50 FKAA CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(Cl)c1 1386397 YGCXQMDUJNCZNN-UHFFFAOYSA-N 370.861 5.125 0 50 FKAA CC(C)(C)CC(C)(C)CC(C)(C)SC(C)(C)CC(C)(C)CC(C)(C)C 2170875 FXGDLAVQNMKUEB-UHFFFAOYSA-N 370.731 8.982 0 50 FKAA CCOc1ccc(OCCCCOc2c(Cl)cccc2Cl)cc1 2991230 PQHKWCOOPTZOJZ-UHFFFAOYSA-N 355.261 5.630 0 50 FKAA O=C(COC(=O)c1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 4701996 DGBCYDVWWZUSHG-UHFFFAOYSA-N 366.416 5.547 0 50 FKAA Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13320535 ZBENBAIOILKIEB-LLVKDONJSA-N 356.775 5.550 0 50 FKAA Cc1ccc(F)c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 15541236 FPOZNEHXOGWJHH-UHFFFAOYSA-N 365.433 5.095 0 50 FKAA Clc1ccc([C@H]2CN(Cc3cc4ccccc4[nH]3)CCO2)cc1Cl 71405858 HLGRHPQVZDXDAF-LJQANCHMSA-N 361.272 5.048 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)c(O)c(Cl)c1 71769664 FCGOJXKCRKKHNL-UHFFFAOYSA-N 366.031 5.650 0 50 FKAA C/C(O)=C\[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 102278033 SABGTQFUQWAQDU-CQEYOHBHSA-N 354.837 5.062 0 50 FKAA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 245235280 IUOVUHKJLLXHLL-PLCCKUGISA-N 364.316 6.261 0 50 FKAA Cc1cccc(-c2ccccc2C(=O)Nc2ccc3c(c2)NC(=O)CCC3)c1 1875336459 FFZOGNQCLKZSII-UHFFFAOYSA-N 370.452 5.189 0 50 FKAA O=C(NC1CCCCCC1)c1cccc(COc2ccccc2Cl)c1 671968 WZXMTYHEYDUBND-UHFFFAOYSA-N 357.881 5.372 0 50 FKAA CC1(C)C(=O)O[C@@H](c2ccc(Cl)cc2Cl)C2(CCCCC2)C1=O 709422 UPPUUIBOPONOBX-AWEZNQCLSA-N 355.261 5.137 0 50 FKAA O=C(Nc1ccccc1Br)c1ccccc1-c1ccccc1 1132196 ZNYSNAVINDASLY-UHFFFAOYSA-N 352.231 5.368 0 50 FKAA CCc1cc(=O)oc2c(C)c(OCc3ccc(Br)cc3)ccc12 1178243 LSAWSVYESJCMHL-UHFFFAOYSA-N 373.246 5.005 0 50 FKAA Oc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1 1599717 RQTDWDATSAVLOR-UHFFFAOYSA-N 354.405 5.804 0 50 FKAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(C)cc2)C1 2558452 OGVQRJUZFARVFU-AWEZNQCLSA-N 356.535 5.432 0 50 FKAA CCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cccc12 2578220 KHGUVUZBLZJZBG-UHFFFAOYSA-N 363.457 5.566 0 50 FKAA Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3C[C@H]3C)c2C(=O)OC(C)C)cc1 2789015 JCGCDRHPIWKNTP-CZUORRHYSA-N 371.502 5.192 0 50 FKAA O=C(Nc1cccc2ccccc12)[C@@]1(c2ccccc2)CC1(Cl)Cl 2976936 JVJQZMKSJXMQTP-IBGZPJMESA-N 356.252 5.294 0 50 FKAA CCCCc1ccc(NC(=O)NC2c3ccccc3Oc3ccccc32)cc1 4783944 CKQIHFAWVIJMDW-UHFFFAOYSA-N 372.468 6.046 0 50 FKAA Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 5050566 ZBYBZUHAKPFEOP-UHFFFAOYSA-N 367.832 5.458 0 50 FKAA CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccccc3)cc1OC2(C)C 13553596 GZYXCXRHVALIJD-WOJBJXKFSA-N 362.513 6.329 0 50 FKAA in-vivo Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C=C(c1cccs1)N2 100716819 SGSHQQQCFBWHCX-AWEZNQCLSA-N 363.273 5.011 0 50 FKAA Cc1cc(N2CCC(c3nc(C(C)C)no3)CC2)nc2cc(Cl)ccc12 1704325711 LYUBNLDRCXSDMX-UHFFFAOYSA-N 370.884 5.087 0 50 FKAA CC(C)(C)c1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1 754401 OPGAFUAHBQBYEO-UHFFFAOYSA-N 353.462 5.232 0 50 FKAA CC(=O)c1c(Cl)nc2ccc(Br)cc2c1-c1ccccc1 842133 VUBYEKNWVJZDAF-UHFFFAOYSA-N 360.638 5.520 0 50 FKAA Cc1ccnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c1 995082 ZORMJKBHLQBLTG-UHFFFAOYSA-N 367.452 5.474 0 50 FKAA COc1ccccc1COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 1155627 WTNOSYFFFXVZNY-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA biogenic CCOc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1 1200699 QIJMBASWAITDSD-UHFFFAOYSA-N 374.484 5.317 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1777994 WYRFTDUZZOUUGX-BJMVGYQFSA-N 350.245 5.434 0 50 FKAA CCOc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cc(=O)o2)cc1 2852027 BBHQLZWOXUUQNE-UHFFFAOYSA-N 369.420 5.435 0 50 FKAA Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 4854233 AITNDJBOFFFHIX-XLIONFOSSA-N 366.873 5.644 0 50 FKAA Cc1cc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)ccc1O 67588492 CGWBVVFAYPZZHV-UHFFFAOYSA-N 370.452 5.067 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Oc1ccc(C(=O)c2ccccc2)cc1 641041 CMGJZDOPMRLVDU-UHFFFAOYSA-N 351.789 5.182 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(C)cc2NC(=O)c2cccc(C)c2)c1 656496 YOOPYAWWIKNGIF-UHFFFAOYSA-N 358.441 5.116 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 722007 NDADCNSHTSAARX-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA Cc1ccc(-c2csc3ncn(Cc4cccc(Cl)c4)c(=O)c23)cc1 951886 XXELHANNBGGXNY-UHFFFAOYSA-N 366.873 5.135 0 50 FKAA CCOc1ccccc1NC(=O)c1c(N)sc2c1CC[C@@H](C(C)(C)C)C2 1151802 VCXINOGBDWDTSB-CYBMUJFWSA-N 372.534 5.132 0 50 FKAA O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 2209540 KHRPMWGWRQJZTA-SFHVURJKSA-N 373.239 5.353 0 50 FKAA COc1ccc(/C=C/C(=O)n2c3ccccc3c3ccccc32)cc1OC 4811733 ICNQKBAQUHNQJS-WYMLVPIESA-N 357.409 5.165 0 50 FKAA COc1cc(OC)c(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 43191263 LMBPADWXHYRTAW-UHFFFAOYSA-N 374.746 5.020 0 50 FKAA Cc1nc2cc(Cl)c(NCc3cc(Cl)c(Cl)s3)cc2s1 2325874109 BCTVVHGIKIFWFI-UHFFFAOYSA-N 363.722 6.239 0 50 FKAA O=C(C[C@H](c1cccc(Cl)c1)[C@@H]1CCCCCCC1=O)c1ccccc1 624378 COCTZSLDXMVZNK-LEWJYISDSA-N 368.904 6.236 0 50 FKAA Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 639072 RLHMDDWXVJNJSC-UHFFFAOYSA-N 358.846 5.274 0 50 FKAA CC(C)c1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 1147004 QDKZTFVZQABWFQ-UHFFFAOYSA-N 360.457 5.571 0 50 FKAA O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc(Cl)c1 1185911 NOGVDGXBLHFINK-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC(F)F)c1 2852428 DVAUKQDZOJWUHH-UHFFFAOYSA-N 361.175 5.547 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 4177154 OATCWUGNZZQNMU-UHFFFAOYSA-N 354.233 5.043 0 50 FKAA COc1cc(C)ccc1OCCOc1cccc(Oc2ccccc2)c1 4702076 ONRDQXIIQZSMCJ-UHFFFAOYSA-N 350.414 5.254 0 50 FKAA COc1ccc2cc(-c3n[nH]cc3CN[C@@H](C)c3cccs3)ccc2c1 12434017 GGFIQYLGYLXJKM-AWEZNQCLSA-N 363.486 5.151 0 50 FKAA Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccccc1Cl)C2 14989511 KFFVIFVVGFZDEH-UHFFFAOYSA-N 371.889 5.169 0 50 FKAA Cc1ccc(-c2noc([C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1 225572413 QMUVZWMFDGSWLW-WMLDXEAASA-N 358.800 5.083 0 50 FKAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1ccc(C(C)C)cc1 1875323172 ZYKGGOBZFFJPAT-UHFFFAOYSA-N 362.491 5.018 0 50 FKAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ccc2ccccc2c1 1875324676 IKOZZIUPWZLUKW-UHFFFAOYSA-N 366.269 5.256 0 50 FKAA O=S(=O)(Nc1ccc2ncsc2c1)c1ccc(C2CCCCC2)cc1 2325842795 IPYATRPIQHWTIS-UHFFFAOYSA-N 372.515 5.145 0 50 FKAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1Oc1ccccc1 657226 CRHKHRWSVVEHAS-UHFFFAOYSA-N 370.408 5.695 0 50 FKAA Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)s1 668508 UQAPJIQYLOEDEC-UHFFFAOYSA-N 372.493 5.244 0 50 FKAA COc1cc(OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 682342 HHKPJDQPHSOWGT-UHFFFAOYSA-N 367.832 5.277 0 50 FKAA O=C(C[C@@H](Nc1ccc2ncccc2c1)c1ccccc1)c1ccccc1 754949 LHKFVCVUJWBPFO-HSZRJFAPSA-N 352.437 5.661 0 50 FKAA O=C(Cc1cc2ccccc2n1Cc1ccccc1)Nc1ccccc1Cl 1152050 NZPALNJTBMZONZ-UHFFFAOYSA-N 374.871 5.524 0 50 FKAA Cc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 1156024 UPERXELYQDPAPF-AWEZNQCLSA-N 356.535 5.350 0 50 FKAA Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)c(C)c1 25583199 UNZABWFVULZZMA-VWNXMTODSA-N 372.443 5.685 0 50 FKAA CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2c3ccc4c(c3CC[C@]12C)CCCC4 71775186 VLVSPITURLTIAR-SMYQMEHISA-N 366.633 7.720 0 50 FKAA Cc1cc([C@@H]2CCCCN2C(=O)Nc2cccc(-c3ccco3)c2)no1 95530454 YHGHGVHNXLSGRP-SFHVURJKSA-N 351.406 5.002 0 50 FKAA Cc1cn[nH]c1C1CCN(Cc2ccc(SC3CCCCC3)o2)CC1 215268764 WGPKTJHGYKAQNY-UHFFFAOYSA-N 359.539 5.116 0 50 FKAA CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C(=O)c5ccccc5)CC[C@H]34)[C@@]2(C)CC1 216206591 YKMWBUJFIQUVEI-FNLBEDGWSA-N 362.557 6.838 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@]1(C)CCC(=O)O1 253534588 KYUZKRJIOGSDGT-PFZOMXFUSA-N 372.549 5.022 0 50 FKAA Cc1nc(-c2ccc(NC(=O)c3cnc4c(F)cccc4c3)cc2)cs1 428006474 NXJKZNNRZCNSML-UHFFFAOYSA-N 363.417 5.058 0 50 FKAA O=C(Nc1cccc2cccnc12)c1ccccc1SCc1ccccc1 995632 HFTAGCLKWAFIPD-UHFFFAOYSA-N 370.477 5.779 0 50 FKAA Cn1c2ccccc2n2c(C(=O)Nc3ccccc3)c(-c3ccccc3)cc12 1122216 DBEHYCKUCSHGTP-UHFFFAOYSA-N 365.436 5.350 0 50 FKAA COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 1206159 RGWCLDKSSMARNY-UHFFFAOYSA-N 371.820 5.178 0 50 FKAA C[C@H](NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 1791910 GUYRJBUAYYRZRL-WWPVKYPJSA-N 351.534 5.716 0 50 FKAA biogenic Cc1nnc(SCc2ccc(Cl)cc2Cl)n1-c1ccccc1 2623194 HGHWCPFJRPJCCT-UHFFFAOYSA-N 350.274 5.175 0 50 FKAA CCCCCC(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 3155627 PPUYQIBDXZHGCY-CYBMUJFWSA-N 354.730 5.172 0 50 FKAA Cc1cccc(C)c1OC[C@H](C)NCCC(c1ccccc1)c1ccccc1 6924869 KOHADXOJBXMRAQ-QFIPXVFZSA-N 373.540 5.883 0 50 FKAA COc1cc2c(cc1OC)[C@H](c1cccc3ccccc13)O[C@H]1CCCC[C@@H]21 15024229 GEPYGDSDXRTPJA-PZGSVQSZSA-N 374.480 6.003 0 50 FKAA Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccn1 19840560 ODFNVXSMGKHUBQ-XMMPIXPASA-N 353.469 5.019 0 50 FKAA Oc1nc([C@H]2CCCC(F)(F)C2)nc2scc(-c3cccs3)c12 242197007 XGXOBFUJGKBBSL-VIFPVBQESA-N 352.431 5.418 0 50 FKAA CC1(C)[C@]2(c3ccccc3)[C@@H]3C=C(Br)C[C@H]3[C@@]12c1ccccc1 254312997 ZCUSLGXRRGHAJZ-WKDRNLAYSA-N 365.314 5.831 0 50 FKAA CC(C)N(C(=O)c1ccccc1-c1cnc2cc(F)ccc2c1)C(C)C 2100539510 LYHFACCCOZVVFV-UHFFFAOYSA-N 350.437 5.300 0 50 FKAA CCOc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1ccc(F)cc1)N2 678115 FBELDLAJAXNQFK-PMACEKPBSA-N 357.425 5.022 0 50 FKAA Cc1cccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 1326432 LRJXNYNXUJLCMF-UHFFFAOYSA-N 351.475 5.016 0 50 FKAA CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2743119 KGFWVIIWPRCWNT-OAHLLOKOSA-N 357.759 5.155 0 50 FKAA Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3C[C@H]3C)c2C(=O)OC(C)C)cc1 2789014 JCGCDRHPIWKNTP-CJNGLKHVSA-N 371.502 5.192 0 50 FKAA Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1Cl 2865524 CXNJEASSXZODCL-UHFFFAOYSA-N 371.937 5.725 0 50 FKAA CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1Cl 2882207 UYPZMXJQXZBDKQ-LBPRGKRZSA-N 352.261 5.524 0 50 FKAA O=C(Nc1ccc(F)cc1F)Nc1ccccc1Sc1ccccc1 5060532 XXVPQGFZOKHAIA-UHFFFAOYSA-N 356.397 5.760 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]3(C)c2ccccc2)cc1 6415579 GVAPYEFIDJPHCU-UPVQGACJSA-N 370.452 5.112 0 50 FKAA CC(C)(C)c1ccc(Oc2ncc(Br)cn2)c(C(C)(C)C)c1 16696643 BEQQDVNLUQDFHK-UHFFFAOYSA-N 363.299 5.626 0 50 FKAA in-vitro Cc1ccc(N(c2ccc(Br)cc2)c2ccc(C=O)cc2)cc1 202399891 SDKPEZBGWABWKD-UHFFFAOYSA-N 366.258 6.040 0 50 FKAA C[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)[C@@H]1O 245312900 YOCSCRSTBWZYLM-OSAYUINNSA-N 350.289 5.012 0 50 FKAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(F)cc1 1084425 MFRRLDGUHORWAX-UHFFFAOYSA-N 366.779 5.540 0 50 FKAA CCc1ccccc1NC(=O)c1ccc(COc2ccc(C)c(C)c2)cc1 1127679 QYKPHZFADKMDBM-UHFFFAOYSA-N 359.469 5.697 0 50 FKAA Cc1cc(Br)c(NC(=O)c2ccc(Cl)cc2Cl)cc1C 1163881 ZGNBHNTZFJLWFH-UHFFFAOYSA-N 373.077 5.625 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2116338 HIAJCGFYHIANNA-RTELZOPVSA-N 374.565 5.427 0 50 FKAA biogenic CCOP(=O)(OCC)[C@H](Nc1ccc(C)cc1)c1c[nH]c2ccccc12 2810166 DHEVSZUGANCXBL-FQEVSTJZSA-N 372.405 5.853 0 50 FKAA CCCCCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 2858468 QEFNLCXCGYFQDD-UHFFFAOYSA-N 365.911 5.391 0 50 FKAA O[C@]12CCCC[C@@H]1[C@H](c1cccc(Oc3ccc(Cl)cc3)c1)NCC2 4031336 VTIHRPRDWGOLPD-HKBOAZHASA-N 357.881 5.088 0 50 FKAA Clc1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)c1 5013987 KKBQIMGHKUMATP-UHFFFAOYSA-N 373.887 5.483 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cccc(C)c3n2)cc1C 6789483 PABPCIJGVXCTSM-UHFFFAOYSA-N 372.512 5.843 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1)O2 12195467 GIZWTAHQOFLVSD-IRLDBZIGSA-N 360.844 5.582 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\CCCCCC(C(=O)O)C(=O)O 71770228 SCMYUYANORCRFG-QNEBEIHSSA-N 350.499 5.751 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 2866489 WKVJGJDIWNUWIZ-UHFFFAOYSA-N 361.510 6.156 0 50 FKAA Clc1cccc(Cl)c1OCCCCOc1cccc2cccnc12 2985921 ORNZCAKPFDCZOE-UHFFFAOYSA-N 362.256 5.780 0 50 FKAA O=C(Nc1ccc(Br)cc1Cl)c1cc2ccccc2o1 3486587 QXOODYGDQLSIAT-UHFFFAOYSA-N 350.599 5.101 0 50 FKAA COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2OC)cc1 4476916 PPFVPJURKOXUQW-QFIPXVFZSA-N 358.441 5.060 0 50 FKAA CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCCCC2)cc1 10313857 WEEVRENOQHDJSS-UHFFFAOYSA-N 350.506 5.050 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 20604277 DHFUWZHCHMQBAF-UHFFFAOYSA-N 367.374 5.781 0 50 FKAA COc1ccc2cc(C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)sc2c1 1875302011 WOUWEKDQVRFBOQ-KOMQPUFPSA-N 371.889 5.239 0 50 FKAA Cc1ccc([C@@]2(CC(=O)Nc3ccccc3C)CCOC(C)(C)C2)cc1 892490 UIGXGEJGPXBNFX-HSZRJFAPSA-N 351.490 5.159 0 50 FKAA Cc1cccc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c1 995077 UYNBCTVIKOGTNZ-UHFFFAOYSA-N 352.437 5.771 0 50 FKAA C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)C1 997597 KUDSEAUBYSAVQV-OAHLLOKOSA-N 364.876 5.427 0 50 FKAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1141300 UAYCTTRBEBSTIO-OAHLLOKOSA-N 357.759 5.155 0 50 FKAA O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl 2041031 MLGCXEBRWGEOQX-UHFFFAOYSA-N 356.057 5.133 0 50 FKAA in-vitro O=C(c1ccccc1)[C@@H](Sc1nc2ccccc2s1)c1ccccc1 2359748 YKHNVGVPPWQIBC-FQEVSTJZSA-N 361.491 6.013 0 50 FKAA O=C(CSCc1ccccc1Cl)Nc1ccccc1C(F)(F)F 2978392 HBGYKBAHPVSAEH-UHFFFAOYSA-N 359.800 5.231 0 50 FKAA Cc1ccn2c(C(=O)CSc3ccc(Cl)cc3Cl)c(C)nc2c1 4003156 ZKOUCLNYJVRYAQ-UHFFFAOYSA-N 365.285 5.233 0 50 FKAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 4438528 RMPDWYSTALCBRQ-JTHBVZDNSA-N 374.415 5.077 0 50 FKAA Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCCCC2)cc1 4854093 WJSFOZVZIZAXEA-HXUWFJFHSA-N 366.892 5.852 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccs1)O2 4854185 BFPZVGYIIPFQLJ-FXAWDEMLSA-N 366.873 5.644 0 50 FKAA Cc1ccc(C)c(N2CCN([C@H](C)CC(C)(C)c3ccc(C)o3)CC2)c1 5032021 BPLNQIPINUWSMA-LJQANCHMSA-N 354.538 5.083 0 50 FKAA Cc1oc(-c2cccc(F)c2F)nc1CN1CCC(c2ccccc2)CC1 15075507 JBOIUTPGZGXOTD-UHFFFAOYSA-N 368.427 5.308 0 50 FKAA Cc1ccc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)nn1 65364339 DZOXTASEQQPPIF-UHFFFAOYSA-N 373.243 5.088 0 50 FKAA Clc1ccc(Cl)c(C(Cl)(Cl)c2cc(Cl)ccc2Cl)c1 71767026 ILHLSXAFSXLRMB-UHFFFAOYSA-N 374.909 6.979 0 50 FKAA COc1ccc(C)cc1[C@@H]1CC(=O)[C@]2(C=C1C)C(C)=N[C@]1(C)CCCC[C@H]21 253471765 ZGEKFEQZCLSBIE-XVFIICMOSA-N 365.517 5.416 0 50 FKAA O=C(Nc1ccccc1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 1059237 GUCNXDYWLGLVAX-UHFFFAOYSA-N 365.738 5.871 0 50 FKAA O=C(COC(=O)c1cccc(Cl)c1)c1ccc(C2CCCCC2)cc1 1158288 BJXSLFYTNZHNLJ-UHFFFAOYSA-N 356.849 5.427 0 50 FKAA CCCC[C@@H](CC)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2773639 QQNRCXWGPJMJAP-SNVBAGLBSA-N 355.322 5.879 0 50 FKAA C=Cc1ccc(COc2cc3oc(=O)cc(CCC)c3cc2Cl)cc1 2882768 VJWGLNZCAVNIDL-UHFFFAOYSA-N 354.833 5.621 0 50 FKAA CCC(=O)Oc1cccc2ccc(/C=C/c3ccc(C(F)(F)F)cc3)nc12 4660196 RDIFSPDUGQKWLS-XYOKQWHBSA-N 371.358 5.739 0 50 FKAA Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)n1 4717947 PLPJRDVBNAICES-UHFFFAOYSA-N 363.852 5.138 0 50 FKAA CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1N(C)Cc1ccccc1 19792097 GBRZFWGZMZTNFC-UHFFFAOYSA-N 368.864 5.010 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)s1 20615056 OZYNDIYVXWGPTM-UHFFFAOYSA-N 369.440 5.763 0 50 FKAA O=C(Nc1ccc(Cc2ccncc2)cc1)C1(c2ccccc2)CCCC1 71384924 VHFJDJYNNDHOOL-UHFFFAOYSA-N 356.469 5.123 0 50 FKAA Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 101903471 AFJHATDFMRTLJK-XMDBHEJHSA-N 363.457 5.021 0 50 FKAA Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccc(Cl)c2)c1 170618221 VLUSEHWDHNFKOE-IBGZPJMESA-N 364.832 5.233 0 50 FKAA O=C(CCCc1nc2ccccc2s1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 247760760 HFRIFKFQQYDGPT-IXDOHACOSA-N 356.535 5.094 0 50 FKAA CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCCOC(CO)CO 299888279 CUJUUWXZAQHCNC-LIJGZOPESA-N 364.570 5.502 0 50 FKAA CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c1cc(C)c1ccccc12 633215 LZUYARGIUHNEOV-UHFFFAOYSA-N 371.436 5.117 0 50 FKAA Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccnc4)c3C)nc2c1 848956 GBFGJABOBZLPOV-UHFFFAOYSA-N 357.413 5.067 0 50 FKAA CC(C)n1c([C@H](O)c2ccc(OCc3ccccc3)cc2)nc2ccccc21 860993 KYNDGBJXBYHZFQ-HSZRJFAPSA-N 372.468 5.278 0 50 FKAA Cc1ccc2nsnc2c1NC(=O)c1sc2ccccc2c1Cl 873271 SGLMGDWETZIPHH-UHFFFAOYSA-N 359.863 5.120 0 50 FKAA COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 947119 ISXOQTUGZFHDOO-UHFFFAOYSA-N 360.438 5.224 0 50 FKAA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccccc2F)c1 1085764 LVUCTWHBFOKOIC-FQEVSTJZSA-N 359.444 5.387 0 50 FKAA CC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 1143545 MTVSSEYARBZYEG-UHFFFAOYSA-N 368.285 5.068 0 50 FKAA COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1 1218920 XMGPEFJWOARRPG-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)cc1 2549319 VJCQGMWVRKAMFD-IZZDOVSWSA-N 374.278 5.198 0 50 FKAA Cc1ccc([C@](O)(c2ccccc2)c2nc3ccccc3n2C(C)C)cc1 4150186 QJRHYPDTNKUFET-XMMPIXPASA-N 356.469 5.210 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1ccccc1 4542311 YEWCFJREKQEVPL-UHFFFAOYSA-N 370.374 5.940 0 50 FKAA O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(C(F)(F)F)cc1 4828419 WDDBTFOZWABWST-UHFFFAOYSA-N 369.342 5.786 0 50 FKAA COc1cccc(C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c1OC 5034236 GKIDQPSRAOSFSR-UHFFFAOYSA-N 354.490 5.615 0 50 FKAA CCCC(CCC)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 5060128 HDPPAUAIJBGYRT-UHFFFAOYSA-N 363.461 5.559 0 50 FKAA COc1cccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 18191149 WUSAHBOEZZMOHV-UHFFFAOYSA-N 361.832 5.702 0 50 FKAA Clc1ccc2c(N/N=C\c3cccc(Cl)c3Cl)ccnc2c1 32601786 CZEIUAATNYIEAZ-NKVSQWTQSA-N 350.636 5.641 0 50 FKAA C[C@@H]1CC[C@@H](C)P1c1sc2ccccc2c1P1[C@H](C)CC[C@H]1C 42784414 LDQZIAAVXCYZQO-KLHDSHLOSA-N 362.459 6.257 0 50 FKAA FC(F)(F)c1ccc(-c2ccc(CNc3ccc(Cl)cc3)cc2)nc1 263640059 VIWWPXVFUPARMD-UHFFFAOYSA-N 362.782 6.033 0 50 FKAA CC(C)Cc1ccc([C@@H](C)c2nnc(S)n2-c2ccccc2)c(F)c1 334160720 LACNCIHVJSEFEV-CQSZACIVSA-N 355.482 5.045 0 50 FKAA COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1 947328 TXSSCSUIFDDSDF-MDWZMJQESA-N 364.470 5.087 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 1119825 XFZWOFYLAYJQAL-AEFFLSMTSA-N 366.332 5.059 0 50 FKAA C(C=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 1724607 KLCLIOISYBHYDZ-UHFFFAOYSA-N 358.484 7.250 0 50 FKAA in-vitro Clc1ccc(OCCCn2c(-c3cccs3)nc3ccccc32)cc1 2695495 UYQPUUBJCSKEDS-UHFFFAOYSA-N 368.889 5.887 0 50 FKAA O=C(Nc1nccs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2736473 GESQSTWHSDSQPL-UHFFFAOYSA-N 371.874 5.326 0 50 FKAA Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1C 3039535 NZJZJKJPXZZEEC-UHFFFAOYSA-N 361.397 5.046 0 50 FKAA in-vitro Cc1ccc(C2=Nc3cc4ccccc4cc3C(c3ccccc3)=NN2)cc1 4810534 XBXZJESTONOIPU-UHFFFAOYSA-N 361.448 5.582 0 50 FKAA Cc1ccc([S@](=O)/C(Cl)=C/c2ccc(Br)cc2)cc1 7023403 FFVMVOQVFOLFKZ-JVVYVMHDSA-N 355.684 5.103 0 50 FKAA Cc1oc(-c2ccc(F)cc2)nc1CN1CCC2(C=Cc3ccccc32)CC1 14961181 FLXJNTJGTZGNDQ-UHFFFAOYSA-N 374.459 5.350 0 50 FKAA CCC[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccc(F)cc1 227154800 IOMGOAKHQUYYSK-SFHVURJKSA-N 366.436 5.103 0 50 FKAA Cc1ccc2sc(CSCc3ccc(C(F)(F)F)cc3)nc2c1 1875305489 SSDHJRODTOARSG-UHFFFAOYSA-N 353.434 6.057 0 50 FKAA Cc1ccccc1C[C@@H](CO)CN[C@@H](c1ccc(F)cc1)C1CCCCC1 2325842117 OQEVFMVJJDSMGQ-NTKDMRAZSA-N 369.524 5.196 0 50 FKAA Cc1ccc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 995085 NCVKPGXORHEZIF-UHFFFAOYSA-N 352.437 5.140 0 50 FKAA Cc1c(C)c2ccc(OCc3ccc(Br)cc3)c(C)c2oc1=O 1178293 XAIDRMZKWAVEHS-UHFFFAOYSA-N 373.246 5.060 0 50 FKAA Cc1nc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)cs1 1205820 NFNOSDHIIRWHNY-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA c1ccc(-c2oc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 1718659 FWLFKBDHSBFSMW-UHFFFAOYSA-N 372.467 7.948 0 50 FKAA Cc1cc(C)c(NC(=O)CSc2cccc3ccc(C)nc23)c(C)c1 3166096 IKHFRKVDSPGAME-UHFFFAOYSA-N 350.487 5.199 0 50 FKAA COc1ccc(CC[C@H](C)NCCc2ccc(Cl)cc2Cl)cc1 6667617 GJRPTEZZYDDVJF-AWEZNQCLSA-N 352.305 5.155 0 50 FKAA Cc1cccc(-n2c(/C=C\c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 32629543 RHGWWZUFRIQAIR-KAMYIIQDSA-N 372.855 5.518 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(c2ccn[nH]2)CC1 151281960 QDSLUDOSJVXMCM-UHFFFAOYSA-N 354.498 5.068 0 50 FKAA C1=C[C@H]2C[C@H]1[C@H]1[C@@H]2[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 257355595 BMQRTDMCYKLBQY-BQYUPPEXSA-N 362.472 5.656 0 50 FKAA CCc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)cc1 657852 ADUZLIDZUZUZJK-UHFFFAOYSA-N 372.877 5.397 0 50 FKAA CCOc1ccccc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 668436 PFTDRCIJOOQQHI-UHFFFAOYSA-N 374.465 5.614 0 50 FKAA CC(=O)Nc1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)cc1 2519594 DJUZLVFGINUDKA-UHFFFAOYSA-N 364.495 5.893 0 50 FKAA CCN(CC)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 2858505 MVGGGKKLWHKJIN-UHFFFAOYSA-N 372.512 5.612 0 50 FKAA O=C(CSc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 2858669 HBBRIHIIXPWUFG-UHFFFAOYSA-N 369.873 5.863 0 50 FKAA CCCCOP(=O)(OCCCC)Oc1cccc(CC(F)(F)F)c1 3145208 PFZOXTCKCLVVEH-UHFFFAOYSA-N 368.332 5.912 0 50 FKAA Cc1ccc(-c2nc(NC(=O)CCCOc3ccccc3)sc2C)cc1 9109512 NMWGUGQBVXDUPP-UHFFFAOYSA-N 366.486 5.225 0 50 FKAA COc1cccc([C@H]2CCCN2Cc2nc(-c3ccc(C)s3)oc2C)c1 12750333 CXIAAAXDDJSGEG-LJQANCHMSA-N 368.502 5.366 0 50 FKAA Cc1oc(-c2cccc(F)c2)nc1CN1CCC[C@H](c2ccccc2)C1 23129169 PWAZOVBOIJHBPA-IBGZPJMESA-N 350.437 5.169 0 50 FKAA O=C1CC[C@H](c2ccccc2)CCN1Cc1cc(C2CCCCC2)no1 2356162742 QMUDTXKTRBCEDV-SFHVURJKSA-N 352.478 5.019 0 50 FKAA CC(C)[C@@H]1C=CCN1C(=O)c1ccc(-c2cnc3cc(F)ccc3c2)cc1 2356169054 TYOKLHPTNHBQSX-QFIPXVFZSA-N 360.432 5.078 0 50 FKAA O=C(Nc1ccccc1Cl)c1sc2cccc(Cl)c2c1Cl 625149 LTIDIDRGJVLEGT-UHFFFAOYSA-N 356.661 6.114 0 50 FKAA CC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1 1085076 BFRANPCSDGRUSB-UHFFFAOYSA-N 361.466 5.434 0 50 FKAA CCOc1ccccc1Nc1nc(-c2cc3ccccc3oc2=O)cs1 1164895 MJOCPSRDALMLTI-UHFFFAOYSA-N 364.426 5.059 0 50 FKAA O=C(OCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1177788 HLPXMJMZBQRPPA-UHFFFAOYSA-N 372.399 5.035 0 50 FKAA CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2c1 1209776 LNYNGTJNORKIOV-UHFFFAOYSA-N 360.388 5.449 0 50 FKAA COc1ccc(Cl)cc1NC(=S)N1c2ccc(F)cc2CC[C@@H]1C 2854709 QGCUJMZOZBXKFJ-NSHDSACASA-N 364.873 5.026 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)c(Cl)cc12 2910922 HCBZQIRXGDLRBN-UHFFFAOYSA-N 363.240 5.631 0 50 FKAA COc1ccc2c(c1)CCc1c-2nc2ccccc2c1N(C(C)C)C(C)C 5498156 KVQWVZVJKPDOED-UHFFFAOYSA-N 360.501 5.632 0 50 FKAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)oc2C)c1 12373356 BTDCHVJUIHPVKI-CQSZACIVSA-N 370.880 5.505 0 50 FKAA CC1=C(C)[C@H]2c3c(C)c4c(c(C)c3[C@H]1C2C(C)C)[C@H]1C(C)=C(C)[C@H]4C1C(C)C 101010117 SZDIKDDEEMAREU-SATBIADZSA-N 374.612 7.909 0 50 FKAA C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257347211 ACKIMFUPMAASSZ-MIPBUYQOSA-N 362.598 5.415 0 50 FKAA Fc1ccc(C2=CC[C@H](N[C@H](c3ccc(F)cc3)c3ncc[nH]3)CC2)cc1 446883320 FZIVRKGYONTDDR-LEWJYISDSA-N 365.427 5.003 0 50 FKAA O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccccc2)nc2ccccc12 995049 XWOZNDWQIAIJIO-UHFFFAOYSA-N 360.363 5.432 0 50 FKAA CCc1sc(NC(=O)c2cc(Cl)ccc2OC)nc1-c1ccccc1 1134983 MBMIRMJSTIAQOG-UHFFFAOYSA-N 372.877 5.287 0 50 FKAA Nc1nc(Br)c2c(Cl)cccc2c1-c1ccc(F)cc1 1391600 JAAYTTQHSRMILY-UHFFFAOYSA-N 351.606 5.039 0 50 FKAA COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 4301194 NOCARNSZIVOOID-JOCHJYFZSA-N 362.860 5.704 0 50 FKAA O=C(CCc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 5067357 RNMKHWURWMQUBV-UHFFFAOYSA-N 361.285 5.296 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)cc1 20615104 NCPLRZWXRLTAGW-UHFFFAOYSA-N 367.374 5.781 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC 30730317 ITNKVODZACVXDS-YNUSHXQLSA-N 356.550 7.027 0 50 FKAA in-man COc1ccc(COc2cc(Br)ccc2C(F)(F)F)cc1 95348064 VHMLZTGNXLECJP-UHFFFAOYSA-N 361.157 5.056 0 50 FKAA in-vitro CCCCCn1cc(C(=O)Oc2ccc3cccnc3c2)c2ccccc21 95726732 SUNZNQGBYFPRIB-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro Cc1sc(C(=O)N2CCSc3ccncc32)cc1-c1ccc(F)cc1 124764148 NNYIDGBSAKIDOW-UHFFFAOYSA-N 370.474 5.010 0 50 FKAA O=C(c1cccc(Cl)c1)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 170618297 NSNUXGZIKJLWTJ-QGZVFWFLSA-N 372.902 5.455 0 50 FKAA CN=c1[nH]c2cc(-c3ccc(-c4ccccc4C(F)(F)F)o3)ccc2s1 1875347508 WJEHEMARJWGBRA-UHFFFAOYSA-N 374.387 5.706 0 50 FKAA CCOc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1 664407 OENUXOXYVPZLSH-UHFFFAOYSA-N 351.421 5.416 0 50 FKAA O=C(OCCc1ccc(SC(=O)c2ccccc2)s1)c1ccccc1 850563 HFCXDGJVBMJOFQ-UHFFFAOYSA-N 368.479 5.080 0 50 FKAA S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 1016707 MJTDUHQGFMMCRU-OAHLLOKOSA-N 369.540 5.358 0 50 FKAA O=C(Nc1ccccc1N1CCCCC1)C(c1ccccc1)c1ccccc1 1096060 YVKCSQKZBUQPNE-UHFFFAOYSA-N 370.496 5.448 0 50 FKAA CC[C@@H](C(=O)Nc1cc2oc3ccccc3c2cc1OC)c1ccccc1 1160456 CDKIWMOQOONNHP-MRXNPFEDSA-N 359.425 5.727 0 50 FKAA COc1cc(Cl)c(C)cc1NC(=O)CCCOc1cc(C)ccc1C 1779267 IVOBITCYLIDAIJ-UHFFFAOYSA-N 361.869 5.072 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Cl)cc1Cl 2143124 LJOGLYQNHGNHRN-UHFFFAOYSA-N 350.289 6.493 0 50 FKAA COc1cc(OC)c(NC(=O)Nc2ccccc2C(F)(F)F)cc1Cl 2167793 BZEOZVIDSHBNCG-UHFFFAOYSA-N 374.746 5.020 0 50 FKAA CCCCOC(=O)c1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1 2949249 LUJSYOIQNLWWAZ-UHFFFAOYSA-N 365.429 5.259 0 50 FKAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 3004076 RNWAXIQYONZOOF-UHFFFAOYSA-N 358.652 5.443 0 50 FKAA c1ccc(-c2nnc3sc(C(c4ccccc4)c4ccccc4)nn23)cc1 4664907 UBBJCARNCPNMQG-UHFFFAOYSA-N 368.465 5.033 0 50 FKAA CCOc1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3S2)cc1 5033934 HNOLCCQXXQWZPM-QHCPKHFHSA-N 359.494 6.443 0 50 FKAA Cc1cc(C)nc(-c2cccc(C(=O)N3CCCCC[C@@H]3c3ccco3)c2)c1 299799712 YWJBKGJXGUDRMC-JOCHJYFZSA-N 374.484 5.716 0 50 FKAA Cc1sc2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 628486 GMNLJJRFQJOFTE-UHFFFAOYSA-N 350.468 5.085 0 50 FKAA COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 705398 AFAFDMOIWWTYNC-UHFFFAOYSA-N 354.409 5.163 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc(Cl)c2)o1 1185460 ZYXAERUDVUUXSH-UHFFFAOYSA-N 365.738 5.871 0 50 FKAA CSc1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2049701 NWSFYTGLLNZGLK-UHFFFAOYSA-N 370.301 5.513 0 50 FKAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)cc1 2145399 VTPQPTBCOMGDLZ-UHFFFAOYSA-N 370.518 5.116 0 50 FKAA CC[C@H](C)C(=O)N1c2cc(C)ccc2-c2c(ssc2=S)C1(C)C 2270468 ODRVVAKVXMCCFG-NSHDSACASA-N 363.573 6.142 0 50 FKAA O=C(CSc1ccc2ccccc2c1)Nc1cccc(C(F)(F)F)c1 2877421 AWDUCWNAFDRMSG-UHFFFAOYSA-N 361.388 5.589 0 50 FKAA CCC1CCC(NCCc2c(C)n(-c3ccccc3)c3ccccc23)CC1 2928772 LFUPEBKUKKMAOM-UHFFFAOYSA-N 360.545 6.040 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 3137056 SRXBIKJZICTIQK-UHFFFAOYSA-N 362.395 5.192 0 50 FKAA COc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1 4115730 FOEXGSDATTUMME-UHFFFAOYSA-N 371.484 5.149 0 50 FKAA Cc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5031474 XUOKYNFKRSLXCX-JTHBVZDNSA-N 374.871 5.891 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 5050598 RYJUWXKIPLQBST-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CCCCC1 6356671 FMLRDROZRXNQFV-UHFFFAOYSA-N 370.349 5.945 0 50 FKAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 10155650 XCRWPHKJQZUSMR-OAQYLSRUSA-N 373.452 5.164 0 50 FKAA CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21 13476533 HUKJQMKQFWYIHS-UHFFFAOYSA-N 355.481 6.524 0 50 FKAA in-vitro Cc1nn(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 20603073 BVIGOHMPMQWXEJ-UHFFFAOYSA-N 367.374 5.532 0 50 FKAA Brc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 34287700 JUYNGLUHLPFYPP-UHFFFAOYSA-N 367.290 5.220 0 50 FKAA C[Si](C)(C)[Si](C(=O)c1ccccc1)([Si](C)(C)C)[Si](C)(C)C 169817426 HOUUKFRQPVOPQR-UHFFFAOYSA-N 352.775 5.107 0 50 FKAA C[Si](C)(C)[C@H]1[C@@H](C(=O)c2ccccc2)C1(c1ccccc1)c1ccccc1 169828978 OWSVNRXYZSVKIP-VWNXMTODSA-N 370.568 6.194 0 50 FKAA C[C@@H](CN[C@@H](CC(=O)O)c1ccsc1)Cc1ccc(C(C)(C)C)cc1 170612916 ZRYQARXVZMQVAZ-BEFAXECRSA-N 359.535 5.030 0 50 FKAA CC(C)(C)[Si](C)(C)[C@H](n1ccc2ccccc21)n1nnc2ccccc21 195813933 JIBYLRZDYQMCBW-HXUWFJFHSA-N 362.553 5.481 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC=CC[C@]4(C)[C@@H]3CC[C@]12C 257348074 BDJOURVDARTIRJ-HMBQRPAUSA-N 368.649 8.194 0 50 FKAA O=C(NCc1ccccc1)c1sc(-c2ccco2)nc1-c1ccccc1 2325727582 WPGHEMDPYBDUNN-UHFFFAOYSA-N 360.438 5.000 0 50 FKAA Cc1ccccc1C1(C(=O)N2CCN(C3CC3)c3ccccc32)CCCCC1 2325817660 JTXVCIJIXQHPCL-UHFFFAOYSA-N 374.528 5.213 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1 991716 YLLLMBRVAKWNAT-UHFFFAOYSA-N 372.251 6.346 0 50 FKAA Cc1cc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3)[nH]c2cc1C 999171 DCESUHWNBBLLCE-UHFFFAOYSA-N 365.285 5.462 0 50 FKAA O=C(Nc1cccc2ccccc12)[C@H]1CC1(c1ccccc1)c1ccccc1 1021088 FWUMPXWZKXZKHZ-HSZRJFAPSA-N 363.460 5.785 0 50 FKAA CCOc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cc1 1113625 LHDYCBKOBJRRPL-KRWDZBQOSA-N 374.484 5.315 0 50 FKAA COc1cccc(-c2nc3sc(-c4cccc(OC)c4)nc3s2)c1 1440753 WCJNLIKRIGTKNH-UHFFFAOYSA-N 354.456 5.104 0 50 FKAA CCCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 1801418 IKYOZMFYEZSLOY-UHFFFAOYSA-N 366.244 5.203 0 50 FKAA O=C(Cc1cccc2ccccc12)NC(c1ccccc1)c1ccccc1 2849359 INOPNRREDNJSKM-UHFFFAOYSA-N 351.449 5.288 0 50 FKAA Cc1ccc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)cc1 4811284 WJRAWBOCVQRUDR-HKUYNNGSSA-N 365.523 5.089 0 50 FKAA c1ccc(COc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 4987737 LXMSALWOSZBQJQ-UHFFFAOYSA-N 371.524 5.720 0 50 FKAA CCOC(=O)c1ccc(NC(=S)Nc2c(C)cccc2C(C)C)cc1 6630606 LNBQVONLSNKRSL-UHFFFAOYSA-N 356.491 5.104 0 50 FKAA O=C(/C=C/c1cccc2ccccc12)Nc1ccc(OC(F)F)c(Cl)c1 6829882 PWHXIBGTQYRNIK-DHZHZOJOSA-N 373.786 5.747 0 50 FKAA COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN12 25572738 CCEMWVCESFFVSW-OFNKIYASSA-N 374.415 5.077 0 50 FKAA COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1ccccc1)C2 55327210 RZLRLFMXSWDFRX-UHFFFAOYSA-N 359.469 5.065 0 50 FKAA Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(-c3ccccc3)cc2)n1 71978134 SMYHBPGLULOFQW-UHFFFAOYSA-N 357.844 5.713 0 50 FKAA Cc1cccc(N=c2nc(-c3ccccc3)c3cc(Cl)ccc3[nH]2)c1C 408525736 ZMIUNPMOHUUXFH-UHFFFAOYSA-N 359.860 5.733 0 50 FKAA CCOc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 947420 LNFQRULSRBCMEV-LICLKQGHSA-N 373.452 5.316 0 50 FKAA CC(C)c1ccc2oc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1 1166807 PMRHYFZKDGYZLP-UHFFFAOYSA-N 370.452 5.799 0 50 FKAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3[C@H](C)CCC[C@H]3C)c2c1 1459720 MCUPYBVLYFAJMI-IAGOWNOFSA-N 359.473 5.008 0 50 FKAA CC(C)(C)c1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1 4701000 YWBMLIUPPQEWMA-UHFFFAOYSA-N 357.251 5.464 0 50 FKAA O=C(CS[C@@H]1CCc2c(Cl)cccc21)Nc1ccccc1Cl 170619273 ZNRQZBUMDGTUKT-MRXNPFEDSA-N 352.286 5.353 0 50 FKAA CC[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 916995267 IHJCNQWSNMEVJT-IRXDYDNUSA-N 357.803 5.133 0 50 FKAA C[C@@H](c1ccccc1)[C@@H](Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 975612 GAELJTQGYRTLNW-FUHWJXTLSA-N 366.468 5.569 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(ccc3ccccc32)o1 1162485 ITMKBLBIRMNJFE-UHFFFAOYSA-N 355.315 5.857 0 50 FKAA O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccccc1C(F)(F)F 1753303 PJDDSXPPMRMHGX-UHFFFAOYSA-N 371.362 6.093 0 50 FKAA CC1=CC(C)(C)Nc2ccc(OC(=O)COc3ccc4ccccc4c3)cc21 2268335 VPYLZZBKTMFMLH-UHFFFAOYSA-N 373.452 5.432 0 50 FKAA Cc1cc(C)cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 4131000 YAJRDGQYAKKJBY-UHFFFAOYSA-N 358.466 5.832 0 50 FKAA COc1cccc(NC(=O)CCc2ccc(-c3cccc(Cl)c3)o2)c1 4541867 OVIXYGWJFTWHNW-UHFFFAOYSA-N 355.821 5.180 0 50 FKAA Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 5103095 YVZQESFZURVEQK-UHFFFAOYSA-N 369.833 5.165 0 50 FKAA CCCCOc1ccc(-c2nnc(S)n2[C@H](C)c2ccccc2)cc1 17073228 YIDYUVVORIIHJO-OAHLLOKOSA-N 353.491 5.022 0 50 FKAA Cc1cccc(C)c1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 20028441 JAIFWJBLUVTGTN-UHFFFAOYSA-N 370.496 5.114 0 50 FKAA CCCn1nc(C)c2c(C(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 20615743 ISXBMEHKLZRKME-UHFFFAOYSA-N 370.230 6.061 0 50 FKAA Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1Br 36620323 GHPAXNGHXLRKMC-QGZVFWFLSA-N 359.267 5.127 0 50 FKAA c1ccc(OCCCN2CCCC[C@H]2C2(c3ccccc3)CCCC2)cc1 96027165 SIGJRGFFKMQFIQ-DEOSSOPVSA-N 363.545 5.822 0 50 FKAA Cc1ncc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 179893697 PTLWTQZYFJFINE-UHFFFAOYSA-N 361.426 5.026 0 50 FKAA CC(C)c1cc([C@@H]2CCCN2Cc2ccc3cccc(Cl)c3n2)no1 216548093 SXONIKHXLYATQF-SFHVURJKSA-N 355.869 5.337 0 50 FKAA Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1C 636987 HVYXGKZEKFGIIV-UHFFFAOYSA-N 350.270 6.077 0 50 FKAA O=C(Nc1ccc2c(c1)OCO2)N1c2ccccc2Sc2ccccc21 780066 ADADDUHKAARYSG-UHFFFAOYSA-N 362.410 5.250 0 50 FKAA CC1(CNC(=O)C(c2ccccc2)c2ccccc2)C2CC3CC(C2)CC1C3 1136937 LVZSJSYYBYQTGA-UHFFFAOYSA-N 373.540 5.397 0 50 FKAA Cc1ccccc1NC[C@@H](O)CN1c2ccccc2Sc2ccccc21 1169801 WMAYWOZRUHADOV-QGZVFWFLSA-N 362.498 5.071 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc2ccccc12 1226042 TZNZCNQWCJMDJT-UHFFFAOYSA-N 364.754 6.156 0 50 FKAA CC(C)c1ccc(N[C@@H](C(=O)Nc2nccs2)c2ccccc2)cc1 4054159 BFYPRJRZFCSPLA-GOSISDBHSA-N 351.475 5.058 0 50 FKAA Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4310003 KXPFYQBZZONEAF-GMAHTHKFSA-N 358.416 5.376 0 50 FKAA O=C(O)c1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 4981652 CXTLOVGPCQLXQE-UHFFFAOYSA-N 367.408 5.252 0 50 FKAA Cc1c(C)n(C)c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc12 680018 VNODOAUFSJEQKI-UHFFFAOYSA-N 368.480 5.642 0 50 FKAA Cc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)c(C)c2oc1=O 1154173 UJEWFOFHAMAMCB-UHFFFAOYSA-N 372.420 5.133 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)Cc4ccccc4)c(C)c3)nc2c1 1202035 BQIIIDWHWCJDCH-UHFFFAOYSA-N 356.425 5.293 0 50 FKAA CCOc1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1 2093804 NMALHPBOTSHWHA-UHFFFAOYSA-N 351.421 5.416 0 50 FKAA O=C(Nc1ccccc1Cl)OCCOc1ccc(Cl)cc1Cl 2171510 NJYQPYYZSIOPEZ-UHFFFAOYSA-N 360.624 5.274 0 50 FKAA CC[C@@H](NC(=O)c1csc2c1CC[C@H](C)C2)c1ccc(C(C)C)cc1 2801144 JCCRYUMJRSNVLM-MGPUTAFESA-N 355.547 5.877 0 50 FKAA Cc1ccccc1CN1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 43022871 AYIZGBFHHRJIMT-KRWDZBQOSA-N 367.443 5.043 0 50 FKAA Cc1ccccc1-c1nc2ccc(NC(=O)c3ccncc3Cl)cc2o1 55414358 RHPQEFIGMQGVJV-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA Cc1cccc(Cl)c1-c1ccc(C(=O)N(C)CCC[C@H]2CCCO2)cc1 584891300 PTMCWJZKXBLNJL-IBGZPJMESA-N 371.908 5.347 0 50 FKAA CCCCCc1ccc(Oc2cc(-c3ccccc3)nc3ncnn23)cc1 1875335811 ICIFXDMYKWQKBC-UHFFFAOYSA-N 358.445 5.316 0 50 FKAA Cc1cc(C)c(NC(=O)c2cccs2)c(C)c1NC(=O)c1cccs1 711456 QWWMENZYDRACRG-UHFFFAOYSA-N 370.499 5.239 0 50 FKAA CCc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 1140879 YOULXUDUEYCKBR-UHFFFAOYSA-N 365.860 5.734 0 50 FKAA Cc1cccc(-c2noc(COc3cc(C)c(Br)c(C)c3)n2)c1 1159837 NQARWSOLUIJENW-UHFFFAOYSA-N 373.250 5.003 0 50 FKAA Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 1530011 YVGGHNCTFXOJCH-UHFFFAOYSA-N 354.491 6.496 0 50 FKAA aggregator,endogenous,in-man CCCOc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 1777922 HNKMZGZFGLDPKI-NTCAYCPXSA-N 365.517 6.374 0 50 FKAA Cc1ccc(-c2csc3nc(-c4nc5ccccc5o4)nc(O)c23)cc1C 1875378809 FEXAWKUERHUZKI-UHFFFAOYSA-N 373.437 5.489 0 50 FKAA CC(C)Oc1ccc(COc2ccc([C@@H](C)CC(=O)O)cc2)cc1Cl 623216 KOLGILXZTXBLJB-AWEZNQCLSA-N 362.853 5.284 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 630069 NFQIILYGJNKYMV-UHFFFAOYSA-N 350.805 5.215 0 50 FKAA Cc1cccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 830065 AFSJUYRRMJGYBW-UHFFFAOYSA-N 360.438 5.230 0 50 FKAA Cc1cc(C)c2c(n1)sc1c(SCc3ccccc3)nc(C)nc12 1127817 PKNNCDGLZOSLJS-UHFFFAOYSA-N 351.500 5.457 0 50 FKAA Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 2853403 XQDFUQFIXRMZRL-UHFFFAOYSA-N 357.413 5.067 0 50 FKAA COc1cc(C=O)cc(Br)c1OCc1cccc2ccccc12 4342715 QAKOFVBLVKSVAX-UHFFFAOYSA-N 371.230 5.002 0 50 FKAA COc1cccc(OCCCOc2c(Cl)cc(Cl)cc2Cl)c1 4701960 WBEFXVMCWDXDTN-UHFFFAOYSA-N 361.652 5.503 0 50 FKAA Fc1ccc(C2=CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 4986838 NCWRPGBOMNCZDI-UHFFFAOYSA-N 373.471 5.694 0 50 FKAA Cc1ccc(C)c(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)c1 6965520 WSOLAIZPMZZQID-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA Cc1cc(=O)oc2cc(NC(=O)C34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)ccc12 18068478 MMTLCBKXLXTLOG-TURSSXEVSA-N 365.473 5.037 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 252438313 XIIAYQZJNBULGD-VJHIBPQESA-N 372.681 8.498 0 50 FKAA in-vitro Cc1nc(SC[C@H](O)c2ccccc2)n([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 252444514 QORSQJAPLHWXKH-UGKANONSSA-N 370.562 5.323 0 50 FKAA CCCC1CCC(CN(CCc2ccccc2)c2ccc(O)cc2)CC1 2325817808 YZIKPVMAINCKJC-UHFFFAOYSA-N 351.534 6.048 0 50 FKAA O=C(Nc1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 659259 XPQCBDFPXXPLJP-UHFFFAOYSA-N 372.251 5.825 0 50 FKAA Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1C 863659 DXPJBNQJPPNRGY-UHFFFAOYSA-N 361.470 5.265 0 50 FKAA CCCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C(C)C)cc2)cc1 2795162 CIKTWLFBNLPMOX-QFIPXVFZSA-N 353.506 5.870 0 50 FKAA COc1ccc(C2(C(=O)Nc3ccc(C)c(Cl)c3)CCCC2)cc1OC 2841384 MJWMWLAYWLCZHZ-UHFFFAOYSA-N 373.880 5.116 0 50 FKAA COc1cccc([C@H]2CCCCN2Cc2nc(-c3cccs3)oc2C)c1 12207954 MZOJKKOVIFIUTP-LJQANCHMSA-N 368.502 5.447 0 50 FKAA CC(C)CCCCCCCCCCCCCCC(=O)OC[C@H](O)CO 33506776 ASKIVFGGGGIGKH-HXUWFJFHSA-N 358.563 5.000 0 50 FKAA biogenic Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@@H]2[C@H]3c2ccccc2)cc1 254757142 ANMYJSNMBSBREG-USDJYLPVSA-N 358.872 5.575 0 50 FKAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc2sc(C)nc2c1 952966871 GBUCXPRAXDTWGA-SFHVURJKSA-N 353.491 5.003 0 50 FKAA FC(F)(F)c1cccc(Oc2ccc(NC[C@H]3C[C@H]4CC[C@H]3O4)cc2)c1 2325863942 APHLTZVKHZLQNQ-UPRAQXHNSA-N 363.379 5.477 0 50 FKAA C[C@@H](c1ccccc1)[C@H](Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 975614 GAELJTQGYRTLNW-WMZOPIPTSA-N 366.468 5.569 0 50 FKAA CNc1ccccc1C(=O)O[C@@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 992899 CDKDNWCMEVYNRJ-HSZRJFAPSA-N 373.452 5.126 0 50 FKAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Nc2ccccc2)cc1 1117192 GCKCUGQOVUWLSX-OAHLLOKOSA-N 366.848 5.490 0 50 FKAA CCCCCc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1 2558171 MDVFITMPFHDRBZ-JLHYYAGUSA-N 371.864 5.423 0 50 FKAA in-vitro CC[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1 2879993 OTKGLOIBTOSNIW-IBGZPJMESA-N 372.493 6.096 0 50 FKAA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccco1 5046846 WJQZRXWIJDVZEZ-UHFFFAOYSA-N 354.818 5.462 0 50 FKAA O=C1/C(=C2/CCCCCN2)c2ccccc2N1c1c(Cl)cccc1Cl 5450684 SOJULZDWDZITHK-VLGSPTGOSA-N 373.283 5.546 0 50 FKAA c1ccc(-c2cc(-n3c(Cc4cccs4)nc4ccccc43)[nH]n2)cc1 6909436 JIRBJFMZXZOYPA-UHFFFAOYSA-N 356.454 5.068 0 50 FKAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3ccccc3)C[C@H]12 247979878 XBBFULYUUHIPON-ZTVPSWHGSA-N 374.524 5.606 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCCOC(CO)CO 936069293 CUJUUWXZAQHCNC-AVHBIOJASA-N 364.570 5.502 0 50 FKAA Cn1c(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)nc2ccccc21 634358 ALMQDEAQZLOTKK-UHFFFAOYSA-N 350.425 5.093 0 50 FKAA O=C(CCC(=O)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 671713 DLKYNAKMZMKDAQ-UHFFFAOYSA-N 368.436 5.350 0 50 FKAA CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc(C)c1CC 1112714 HYPGTFWFTLWXRU-UHFFFAOYSA-N 366.870 5.093 0 50 FKAA CCc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 1119690 VJQAFZWOHIUTAZ-UHFFFAOYSA-N 372.424 5.075 0 50 FKAA CC(C)Oc1ccc([C@@H](CCNCc2ccc3c(c2)OCO3)C(C)C)cc1 1827992 NVPKRIYJJSATHN-NRFANRHFSA-N 369.505 5.122 0 50 FKAA biogenic CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccco1)Cc1cccs1 2867449 KWCWGNALNVTDCS-IBGZPJMESA-N 357.450 5.051 0 50 FKAA COc1ccc(NC(=O)c2ccccc2OC/C=C/c2ccccc2)c(C)c1 3002029 BLVPYSVKRPICOZ-DHZHZOJOSA-N 373.452 5.348 0 50 FKAA O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(F)c3)[C@H]12 3904187 OZYJOQMLIVLHOG-UGKGYDQZSA-N 359.425 5.606 0 50 FKAA C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 4256394 DNSNAOJLRSTWPF-GMAHTHKFSA-N 374.871 5.756 0 50 FKAA c1ccc(Cn2cc(Cc3nc4ccccc4s3)c3ccccc32)cc1 5572162 ZPPSSXROQSVQCY-UHFFFAOYSA-N 354.478 5.890 0 50 FKAA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)cc1 5673449 YZRHKGIVBKDWOC-NRFANRHFSA-N 362.473 5.289 0 50 FKAA CC(C)COc1cccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c1 5908077 FHKCGZNVZOKXGM-UHFFFAOYSA-N 355.821 5.288 0 50 FKAA COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@@]12C 43759828 OZFUSVFBHIPUTK-IJTIGBTGSA-N 370.577 6.177 0 50 FKAA Nc1c2c(nc3oc(-c4ccccc4)cc13)C[C@@H](c1ccccc1F)CC2=O 334161261 XMCLQHQUICWXGX-CQSZACIVSA-N 372.399 5.129 0 50 FKAA O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC(Cc2ccccc2)CC1 671741 UQFWXINCHVRQMM-MDZDMXLPSA-N 374.311 5.488 0 50 FKAA O=C(Nc1nccs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 994708 WFSODEBJVOGNNG-UHFFFAOYSA-N 365.845 5.264 0 50 FKAA O=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 1174485 DQEUEWWYQGXUDY-UHFFFAOYSA-N 360.034 5.147 0 50 FKAA O=C(O)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 4660117 VTFCQWOMTBAWJM-UHFFFAOYSA-N 366.420 5.528 0 50 FKAA Cc1cccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2C(C)C)n1 5331078 IRRHLJKOZRXOME-UHFFFAOYSA-N 365.500 6.124 0 50 FKAA CCOc1ccc([C@H](Nc2ccccc2)P2(=O)O[C@H](C)[C@@H](C)O2)cc1 15635831 KZBJJSMVWRJRAD-SPYBWZPUSA-N 361.378 5.213 0 50 FKAA CCCCn1ccnc1[C@H]1CCCN(c2cc(C)c3cc(F)ccc3n2)C1 95390144 CBMDCCCKUHFXGS-KRWDZBQOSA-N 366.484 5.063 0 50 FKAA CCOC(=O)C(C)(C)Cc1[nH]c2ccc(OC)cc2c1SC(C)(C)C 214482437 PUIGUCRKZKFDCB-UHFFFAOYSA-N 363.523 5.199 0 50 FKAA in-vitro COc1ccccc1Oc1ccc(NC(=O)c2ccc(C)n2C(F)F)cc1 824827643 XQLNLIJXISXUCZ-UHFFFAOYSA-N 372.371 5.245 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 778488 YLYSDCDRZYWZFH-UHFFFAOYSA-N 362.429 5.082 0 50 FKAA COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 993504 DNSJEGQBOZPUHC-UHFFFAOYSA-N 354.409 5.163 0 50 FKAA Cc1nc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2s1 1059782 ZAMHQWAEYUDVQM-UHFFFAOYSA-N 358.466 5.375 0 50 FKAA Cc1cccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 1077350 ILHYBLVBQQFGLW-INIZCTEOSA-N 352.484 5.110 0 50 FKAA O=C(Nc1ccccc1Cl)[C@H](Sc1ccccc1)c1ccccc1 1179963 UUSINBDCVHACIR-LJQANCHMSA-N 353.874 5.812 0 50 FKAA CCc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3o2)cc1 1216559 HZUIDYCITAHOKI-UHFFFAOYSA-N 372.424 5.318 0 50 FKAA CC(=O)c1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 2814788 NJIIWOOEOIDBOA-UHFFFAOYSA-N 361.466 5.434 0 50 FKAA CCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)c(OC)c1 4988799 CKYDWULQIWQBCW-UHFFFAOYSA-N 361.485 5.296 0 50 FKAA Cn1cc(CNCc2ccccc2)c(-c2ccc(Oc3ccccc3)cc2)n1 11843452 CENNNSPNLGCSJI-UHFFFAOYSA-N 369.468 5.169 0 50 FKAA Cc1oc(-c2ccsc2)nc1CN1CCC2(C=Cc3ccccc32)CC1 19853585 QRSUQEQCPCGVMD-UHFFFAOYSA-N 362.498 5.272 0 50 FKAA CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccs3)nc21 20603589 QDVVMPQBUJBPFX-QMMMGPOBSA-N 367.446 5.091 0 50 FKAA Cc1sc(=Nc2ccccc2)n(CCc2ccccc2)c1-c1ccccc1 334157789 FGQMPKBXLIIQNN-UHFFFAOYSA-N 370.521 6.000 0 50 FKAA C[C@H](Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2)c1cc2ccccc2o1 1875330201 RZGSOZCQQBJJQC-HNNXBMFYSA-N 360.457 5.760 0 50 FKAA C[C@H](NCC[C@@H]1OCCCC1(C)C)c1cc(Cl)ccc1OC(F)F 1875330579 UKGYLRVSUAKBBB-LRDDRELGSA-N 361.860 5.187 0 50 FKAA COc1ccc(NC(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)cc1 673474 KQTXKBOFNVUBSH-UHFFFAOYSA-N 365.429 5.243 0 50 FKAA Cc1cc(C)nc(SCc2c(C)c(C)c(Br)c(C)c2C)n1 712656 WBBQIKOJTYQOQU-UHFFFAOYSA-N 365.340 5.382 0 50 FKAA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1Cl 887964 PWWDIPLJZAGHQZ-UHFFFAOYSA-N 357.649 5.509 0 50 FKAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)C(Cl)(Cl)Cl 1151610 IMLUDVZXSHQDNS-UHFFFAOYSA-N 365.043 5.441 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 1177195 HJOBHDPQVSIUNA-UHFFFAOYSA-N 374.465 5.289 0 50 FKAA CC[C@@H](C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)c1ccccc1 2061722 PKZHIVYCGNVOHH-LJQANCHMSA-N 356.469 5.947 0 50 FKAA CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 2967579 GVDFGGLUVBNGIN-UHFFFAOYSA-N 365.816 5.185 0 50 FKAA Cc1ccc2c(c1)-c1c(sn(-c3cc(C)ccc3O)c1=S)C(C)(C)N2 4815272 KOSTZYXZJCPTSZ-UHFFFAOYSA-N 368.527 5.918 0 50 FKAA Cc1sc(NC(=O)c2ccccc2F)nc1C12CC3CC(CC(C3)C1)C2 5043354 HUMTVYSRIOTBPB-UHFFFAOYSA-N 370.493 5.311 0 50 FKAA CN(C)c1ccc([C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 5328638 QQWHGTWYJSFQMP-XMMPIXPASA-N 353.465 5.792 0 50 FKAA CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 5591432 LAYDXRNIEULOQX-ZWKOTPCHSA-N 361.272 5.663 0 50 FKAA CC(C)(C)c1cc(CCCC(=O)Nc2ccccc2)c(C(C)(C)C)s1 6998458 DVTPIGGWXICVHE-UHFFFAOYSA-N 357.563 6.305 0 50 FKAA C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccncc1 12383952 HZEUNDWJBQOJPI-VIFPVBQESA-N 351.258 5.094 0 50 FKAA Cc1c(Cl)cccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 20071880 PLYWHKZMDNKJHW-INIZCTEOSA-N 354.664 5.103 0 50 FKAA Cc1cc(C)c(C[C@@H]2CCC[C@@H](Cc3c(C)cc(C)cc3C)C2=O)c(C)c1 43199348 FSWAOKHXVWGTOA-GOTSBHOMSA-N 362.557 6.308 0 50 FKAA COc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 64984948 RJIAWJPYLQCGEU-FQEVSTJZSA-N 372.896 5.176 0 50 FKAA c1ccc(N[C@@H]2CCCN(CCCOc3ccc4ccccc4c3)C2)cc1 1875318831 WIOMNXYJSGVLDC-HSZRJFAPSA-N 360.501 5.185 0 50 FKAA c1ccc(Cn2cc(CN[C@@H]3CCCc4ccccc43)c3ccccc32)cc1 2325719612 QGGVYSVGJAVVPT-RUZDIDTESA-N 366.508 5.857 0 50 FKAA Cc1ccccc1C[C@@H](CO)CN[C@H](CC(C)C)c1ccc(Cl)cc1 2325842306 UFLIDLJUMYVEHH-XMSQKQJNSA-N 359.941 5.176 0 50 FKAA CN(C(=O)[C@@H]1CC[C@H]1c1ccccc1Cl)c1cncc2ccccc12 2325864396 NLSYAMCPJDSBJI-FUHWJXTLSA-N 350.849 5.045 0 50 FKAA Cc1ccc(OC(F)F)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1120062 FTKUDXKVHCOKMI-UHFFFAOYSA-N 360.282 5.259 0 50 FKAA Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cs1 1120719 HOHXEPZMBJHDIL-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA CCCCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 1935370 RVXWIKRHTOOCJV-UHFFFAOYSA-N 365.882 5.374 0 50 FKAA CC(C)(C)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 2825128 OPSSKQWFDSGJHP-UHFFFAOYSA-N 357.497 6.145 0 50 FKAA COc1cc(NC(=O)c2ccccc2-c2ccccc2)c(OC)cc1Cl 2845164 OPEQYJUVOKWUJH-UHFFFAOYSA-N 367.832 5.277 0 50 FKAA O=C(Nc1ccccc1-c1nnc(C2CCCCC2)o1)C1CCCCC1 9871845 MRXLKZAITSPCQZ-UHFFFAOYSA-N 353.466 5.303 0 50 FKAA Cc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(F)c(F)c3)C2)s1 11783458 FKDYOLPRZZLGRN-HNNXBMFYSA-N 373.472 5.104 0 50 FKAA C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1 229795622 RRMUREHKKVYKDT-VHRBIJSZSA-N 367.333 5.251 0 50 FKAA O=c1oc2c(Cl)cccc2cc1-c1ncc(C(F)(F)F)cc1Cl 263640017 SZICLJLYZAZFES-UHFFFAOYSA-N 360.118 5.181 0 50 FKAA Cc1ccc(CSc2ccccc2NC(=O)C[C@H]2CCCOC2)cc1 952872855 QJLVFLAMOPQLNT-GOSISDBHSA-N 355.503 5.043 0 50 FKAA O=C([C@H]1c2ccccc2C2CC1C2)N1CCCCc2c(Cl)cccc21 2325817763 UIKDYDFAZXHLDZ-ZGDBYOLNSA-N 351.877 5.300 0 50 FKAA C[C@H](NC(=O)c1ccc(Br)cc1)c1cccc2ccccc12 625805 MYEUGHSZNKGAKV-ZDUSSCGKSA-N 354.247 5.093 0 50 FKAA CCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1C 1140867 DGROSAAPFZMRSS-UHFFFAOYSA-N 366.486 5.510 0 50 FKAA CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 1168724 XDUFQZONFKHCMN-GFCCVEGCSA-N 352.261 5.523 0 50 FKAA O=C(Nc1cccc(Br)c1)c1ccccc1Oc1ccccc1 1188972 TXXAPDOFEUEWKN-UHFFFAOYSA-N 368.230 5.494 0 50 FKAA O=C(CCSc1ccccc1)Nc1ccc(Br)c(Cl)c1 2855464 FMEBKQQSIMIWHW-UHFFFAOYSA-N 370.699 5.223 0 50 FKAA Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 2981889 DSGUBKNPHOGXQG-UHFFFAOYSA-N 370.477 6.038 0 50 FKAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(C(F)(F)F)c1 3662023 YJNDCROFFUHCCW-UHFFFAOYSA-N 355.315 5.857 0 50 FKAA Clc1ccc([C@H]2CN(c3ccccc3)N=C2c2cccs2)c(Cl)c1 4611239 CDZFVNADHWJMRU-MRXNPFEDSA-N 373.308 6.063 0 50 FKAA CCCOC(=O)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 4614087 JHHCGXCPNOCTDS-NTCAYCPXSA-N 359.425 5.059 0 50 FKAA Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)CCCC(C)C)c12 13641978 CZXUYUZJIWWKHS-ZDUSSCGKSA-N 371.506 5.204 0 50 FKAA c1ccc([C@H]2CCCN2Cc2cnc(-c3ccc4ccccc4c3)nc2)nc1 55244601 SQKRJVUDQLUKOT-HSZRJFAPSA-N 366.468 5.029 0 50 FKAA Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)N(C)C 225449102 BMIANMGIOWKRSE-UHFFFAOYSA-N 373.456 5.008 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3CC[C@H]2C1 257349858 RWGWCMSZRIAUME-SFXHKCFJSA-N 358.522 5.086 0 50 FKAA Cc1cccc(Cl)c1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 584891301 PTMCWJZKXBLNJL-LJQANCHMSA-N 371.908 5.347 0 50 FKAA COc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C)oc2c1 1155695 NUHZAWWZQASRNQ-UHFFFAOYSA-N 358.393 5.569 0 50 FKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1219797 DSBPOOKKBMBWOR-JTQLQIEISA-N 359.800 5.478 0 50 FKAA CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl 1583587 ABAXWMATQNAOLI-UHFFFAOYSA-N 364.917 5.378 0 50 FKAA Cc1ccccc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 2812017 PWCXFGPEOUIJCO-UHFFFAOYSA-N 370.448 5.580 0 50 FKAA O=C(Nc1ccccc1)Nc1c(Cl)nc(-c2ccccc2)nc1Cl 3102039 UOVQUJQVLAFEPS-UHFFFAOYSA-N 359.216 5.094 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccc(Cl)cc1Cl 6331466 QQEIXMBOIRMRRG-UHFFFAOYSA-N 364.150 5.761 0 50 FKAA Cc1cccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1C 6968294 PXTHZIZCSUHHGY-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc(-c3ccccc3C)cc1)C2 1704303350 IAWCVZDJMPMJGK-ISKFKSNPSA-N 363.501 5.083 0 50 FKAA CC(C)C1CCC([C@@](C)(O)CNCc2ccc(-c3cccs3)cc2)CC1 2325842056 NDWLEWIABSSGET-IRSIHTCSSA-N 371.590 5.718 0 50 FKAA O=C(NCCC1=CCCCC1)c1cc(-c2cccs2)nc2ccccc12 1049636 ZVSWYPDRRPPUDS-UHFFFAOYSA-N 362.498 5.584 0 50 FKAA O=C(CSCc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1 1119312 ODCQYRRFIZLACF-UHFFFAOYSA-N 359.800 5.231 0 50 FKAA Cc1cc(NC(=O)c2ccccc2F)ccc1-c1cc2ccccc2oc1=O 1209000 CJPCFPWQONARPT-UHFFFAOYSA-N 373.383 5.160 0 50 FKAA Cc1cc(OC(=O)c2cccc(C)c2)cc(OC(=O)c2cccc(C)c2)c1 1230307 VGHRHUSUSYIXAG-UHFFFAOYSA-N 360.409 5.050 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2ccccc2)cc1 1738964 AZMCBQMGDOMCJN-UHFFFAOYSA-N 358.224 6.271 0 50 FKAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc2ccccc2c1 2983219 NHXXAVNCLFRFTR-UHFFFAOYSA-N 374.267 5.944 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 6304690 CRRKVZVYZQXICQ-QKSXVSAESA-N 358.522 5.086 0 50 FKAA in-vitro CCCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1C(C)C 6400367 GEVPBFWVUQHRBF-UHFFFAOYSA-N 372.563 5.536 0 50 FKAA CCc1ccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)cc1 20615285 KODGHDQSWNSFDF-UHFFFAOYSA-N 367.374 5.727 0 50 FKAA C/C(O)=C/[C@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 102278133 ODABPDYNCJGXFG-VHTZEAEFSA-N 354.837 5.062 0 50 FKAA C[Si](C)(C)c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1 169810898 RFJTYKRLXZTELG-UHFFFAOYSA-N 352.553 6.719 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@H](C1CCCCC1)C2=O 253596636 UJSMXKNMJUHGOA-AHFCQCCRSA-N 370.577 5.686 0 50 FKAA CC(C)[C@H]1C[C@@H](CN[C@@H](C)c2cc(Cl)ccc2OC(F)F)CCO1 1875329638 AYHXYZCCVGGDAK-GDZNZVCISA-N 361.860 5.043 0 50 FKAA Cc1cc2nc(S[C@H](C(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C 632964 NONFGTMIWLCFTA-QFIPXVFZSA-N 372.493 5.896 0 50 FKAA Cc1ccccc1NC(=O)C[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 1130262 PUNFMXCECALKEK-SFTDATJTSA-N 365.517 5.388 0 50 FKAA CCc1ccc(-c2nc3cc(NC(=O)c4ccccc4OC)ccc3o2)cc1 1218921 QNKNTNVZGRMBSO-UHFFFAOYSA-N 372.424 5.318 0 50 FKAA CC(C)(C)c1sc(C(C)(C)C)c(Br)c1Br 2026891 RHWALLRRWLCGIP-UHFFFAOYSA-N 354.151 5.868 0 50 FKAA c1ccc2[nH]c(SCCCCSc3nc4ccccc4[nH]3)nc2c1 2066039 GXAMPPKUVUNBRQ-UHFFFAOYSA-N 354.504 5.104 0 50 FKAA Cc1ccc(-c2cc(-c3ccccc3)nc(Oc3ccc(Cl)cc3)n2)cc1 2904941 KOWYEJOHKJENAA-UHFFFAOYSA-N 372.855 6.565 0 50 FKAA C[C@H](c1ccccc1)C(Br)(Br)c1ccccc1 3137138 KFGYRDHSWRZPFU-GFCCVEGCSA-N 354.085 5.433 0 50 FKAA O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccs1 4616065 IKCRPAOYAGVXNJ-UHFFFAOYSA-N 354.818 5.462 0 50 FKAA O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1CCc1ccccc1 4832006 PAUWHLPMXSCROB-UHFFFAOYSA-N 359.513 5.170 0 50 FKAA Cc1ccc(-c2c(-c3nnc(S)n3Cc3ccco3)csc2C)cc1 17075480 GWMSTXIAGFMHNR-UHFFFAOYSA-N 367.499 5.220 0 50 FKAA COc1ccc(Cc2ccc(NC(N)=O)cc2)cc1-c1cccc(Cl)c1 68153148 RJJLUTWHJUDZFP-UHFFFAOYSA-N 366.848 5.097 0 50 FKAA CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)[C@H]1C[C@H]3C=C[C@H]1C3)c2-c1ccccc1 252139998 GQINAOLOPRBWQT-DIZVHYTASA-N 374.528 6.039 0 50 FKAA O=C1C[C@H](C2CCCCC2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263585939 NZQKICUQHAHPAW-LJQANCHMSA-N 358.485 5.696 0 50 FKAA biogenic FC(F)(F)c1cnc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)s1 477750324 XRYFHSWNSYUJHU-NSHDSACASA-N 372.803 5.033 0 50 FKAA CCOC(=O)Nc1sc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1 1857798649 UOCRAZSLBOUUIC-UHFFFAOYSA-N 360.385 5.324 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 826637 UKASJBZQOFNKHB-PELKAZGASA-N 353.076 5.523 0 50 FKAA Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(C)cc3C)n2)c(C)c1 2283953 RWBGEFYTMUJWHM-UHFFFAOYSA-N 353.857 5.246 0 50 FKAA CC(C)COc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1 2526048 XHWUFAQWILHRAZ-UHFFFAOYSA-N 355.821 5.288 0 50 FKAA CC1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 5500046 GHVWGKZMVAUNOG-HXUWFJFHSA-N 362.860 5.773 0 50 FKAA O=C(Nc1nnc(/C=C/c2ccccc2Cl)s1)Nc1ccccc1F 9232685 UIJCFLXYDKYRFX-MDZDMXLPSA-N 374.828 5.145 0 50 FKAA Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccsc2)c1 14969993 BHXNJHBQQXHJPB-QFIPXVFZSA-N 360.482 5.083 0 50 FKAA CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](C(=O)c5ccccc5)CC[C@@H]34)[C@]2(C)CC1 37246048 YKMWBUJFIQUVEI-STHPJWRRSA-N 362.557 6.838 0 50 FKAA Cc1ccc(N(c2ccc(C)cc2)c2cccc(Br)c2)cc1 66349218 LBLFZUNRAGUAFR-UHFFFAOYSA-N 352.275 6.536 0 50 FKAA in-vitro Cc1ccc2nc(C)c(C)c(C(=O)N3CCC[C@H]3c3ccc(F)cc3)c2c1 95360439 PAIIWIWKEXRIIY-NRFANRHFSA-N 362.448 5.276 0 50 FKAA Oc1nc2ccccc2cc1-c1ccc(-c2ccccc2C(F)(F)F)o1 1875346368 BIUSCGPFTPFBOQ-UHFFFAOYSA-N 355.315 5.886 0 50 FKAA COc1ccc(C)cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 1115337 DWPJETBKFRHIDL-NRFANRHFSA-N 363.482 5.476 0 50 FKAA Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1 2079362 YHVVFYWJVRKVLG-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA Cc1ccc(OCCn2cc(C(=O)c3cccs3)c3ccccc32)cc1 3648666 BGLQIZJLLWLKDZ-UHFFFAOYSA-N 361.466 5.321 0 50 FKAA Cc1ccccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 4031655 BBLXMSNZSUVVNZ-UHFFFAOYSA-N 360.438 5.230 0 50 FKAA COc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 4675095 QMKQEANSYRCSJR-UHFFFAOYSA-N 353.805 5.393 0 50 FKAA COc1cc2c(cc1NC(=O)c1c(F)cccc1F)oc1ccccc12 4750344 NERRXXCJDUBBQY-UHFFFAOYSA-N 353.324 5.125 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@@H](C1CCCCC1)O2 5716119 JVFAABOFNYBFJP-FXAWDEMLSA-N 356.853 5.383 0 50 FKAA Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 13321254 RELRMJWCDPZUCG-UHFFFAOYSA-N 373.172 5.420 0 50 FKAA Cc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2F)C1 42453702 MQUQLEAGXNJXRJ-QGZVFWFLSA-N 367.443 5.043 0 50 FKAA C[C@H](O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 64859591 LLFBQQHYZJTRAS-KRWDZBQOSA-N 357.453 5.187 0 50 FKAA in-vitro Fc1ccc(-c2n[nH]cc2CNc2ccc(CCC(F)(F)F)cc2)cc1 237927776 UFBQEMCAZBSZGF-UHFFFAOYSA-N 363.358 5.323 0 50 FKAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(NC(C)(C)C)c1ccccc1 263621501 DAJGFDWVRFTHOQ-BKJGLDIHSA-N 351.471 5.371 0 50 FKAA Cc1ccccc1[C@@H](c1ccccc1)n1cc(C2CCC(C(C)C)CC2)nn1 1875342720 DPYMJTPFRAGKLM-UXIGSVSMSA-N 373.544 6.154 0 50 FKAA O=C(Nc1csnc1-c1ccccc1)c1csc(C2CCCCC2)c1 2325840705 MJMCSFKPTDJDJU-UHFFFAOYSA-N 368.527 6.172 0 50 FKAA Nc1c(-c2c[nH]c3ccccc23)c(-c2ccccc2)nn1-c1ccccc1 758934 ZVVOUTIPZAEELN-UHFFFAOYSA-N 350.425 5.270 0 50 FKAA Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 991735 ATRZCLPXEPCXIP-UHFFFAOYSA-N 353.425 5.100 0 50 FKAA Cc1ccc(C)c(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c1 1073452 MCMXDPBCCHGEDA-UHFFFAOYSA-N 359.454 5.227 0 50 FKAA COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 1212788 WXCXQYXRYMUDTQ-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA COc1ccc2c(c1)C=C[C@]1(O2)N(c2ccccc2)c2ccccc2C1(C)C 2270358 GNRRXQNSPVTOPU-RUZDIDTESA-N 369.464 5.927 0 50 FKAA COc1cccc(OC)c1OCCOc1ccc(C(C)(C)C)cc1Cl 2994714 WDYCCFIGGIZTPY-UHFFFAOYSA-N 364.869 5.113 0 50 FKAA CCOc1ccccc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 5464887 KSMYJLJZSUKKCH-UHFFFAOYSA-N 374.799 5.094 0 50 FKAA C[C@H](c1ccccc1)n1c(Cc2cccc3ccccc23)nc2ccccc21 12383935 CBFBGZXSGZQNBJ-LJQANCHMSA-N 362.476 6.390 0 50 FKAA Cc1c([C@@H](C)NCc2cnc(-c3ccccc3)s2)cnn1-c1ccccc1 19773798 YEFCREPTTUBRCZ-MRXNPFEDSA-N 374.513 5.155 0 50 FKAA Cc1cc(Cn2cnc(-c3ccccc3)c2COCc2ccccc2)ccn1 65399370 AKMBXLFLRAKCOX-UHFFFAOYSA-N 369.468 5.019 0 50 FKAA CCCC[Sn](CCCC)(CCCC)C(F)(F)F 169811473 QNCKDRUVTHQQLG-UHFFFAOYSA-N 359.064 5.937 0 50 FKAA Clc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c(Cl)c1 584904373 ONAOYDSXVRGDBF-VQTJNVASSA-N 367.364 5.222 0 50 FKAA C[C@H](NC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2cnccc2c1 2325827841 RQEDKMOLEMERMQ-AWEZNQCLSA-N 356.391 5.594 0 50 FKAA Cc1cc(NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)no1 646948 GAPLFXZZTCVONK-UHFFFAOYSA-N 371.440 5.574 0 50 FKAA CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3CCCCC3)o2)cc1 652226 MHNOFMUMNWXAMR-UHFFFAOYSA-N 355.478 5.219 0 50 FKAA Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1 2243421 GPVWUKXZFDHGMZ-UHFFFAOYSA-N 364.513 7.435 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)Nc2cc(C(=O)OC)ccc2C)cc1 2853293 QTVGEGQCCVDDFD-CYBMUJFWSA-N 356.491 5.104 0 50 FKAA Cc1ccc2ccccc2c1COc1cc2oc(=O)cc(C)c2cc1Cl 2986274 VRKMBQBNMPVRFL-UHFFFAOYSA-N 364.828 5.795 0 50 FKAA COc1cc(Br)c(/C=C/c2ccc3ccccc3n2)cc1OC 5077732 HIVFSRVOBIKWGS-CSKARUKUSA-N 370.246 5.185 0 50 FKAA Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3cccc(C)c3n2)cc1 6788598 PKHIOJYRMVVIPP-UHFFFAOYSA-N 356.425 5.042 0 50 FKAA Cc1cc(C)c(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)c(C)c1 13030683 YONKCWKLFWGBNN-QHCPKHFHSA-N 356.469 5.092 0 50 FKAA Cc1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1 13764701 RRBKUROKJCCEMT-UHFFFAOYSA-N 360.460 6.872 0 50 FKAA Cc1cc(NC2CCN(Cc3ccccc3)CC2)nc2cc(Cl)ccc12 23550148 PNXNXTNRRDQIKQ-UHFFFAOYSA-N 365.908 5.273 0 50 FKAA O=C([C@@H]1c2ccccc2C2CC1C2)N1CCCCc2c(Cl)cccc21 2325817762 UIKDYDFAZXHLDZ-XFMWISLNSA-N 351.877 5.300 0 50 FKAA O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)c(Cl)c1 705030 UQAMSTUHGNIQAI-OAHLLOKOSA-N 358.677 5.425 0 50 FKAA Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1ccccc1 1001997 PAIQGOPAOUWKHV-UHFFFAOYSA-N 374.271 5.107 0 50 FKAA COc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1Cl 1053874 RSZDLKWGGIUYPY-SNVBAGLBSA-N 356.274 5.121 0 50 FKAA COc1ccc(NC(=O)c2ccccc2SCc2ccccc2)c(C)c1 1141105 OQCRLEPWXYLGKA-UHFFFAOYSA-N 363.482 5.548 0 50 FKAA COc1cccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 1208812 LYAJPGWNFDBRSY-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA CCCc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cs1 2737966 FQCBKZORZXKXCB-UHFFFAOYSA-N 356.516 5.693 0 50 FKAA C[C@@H]1CCO[P@@](=O)([C@H](Nc2ccc(Cl)cc2)c2ccc(O)cc2)O1 4947647 HYYAJLCSNVTTHM-QFPYQJIVSA-N 367.769 5.175 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccncc1)O2 5394911 AZJUQTDOIDJAGX-QFBILLFUSA-N 367.861 5.039 0 50 FKAA Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2ccc(Cl)cc2)c1C 8571150 YOYFLDAYLDJWCK-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA C[C@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 16676438 UQZWXZLLYVIQPC-KFRNIWOLSA-N 364.247 5.514 0 50 FKAA C1CCC([SnH](C2CCCCC2)C2CCCCC2)CC1 170153260 SQEBZYNJTQKFEQ-UHFFFAOYSA-N 369.181 6.216 0 50 FKAA O=C(Nc1ccc2sc(-c3ccc(Cl)cc3)nc2c1)c1ccco1 1123027 MQNLFKIQRJCICG-UHFFFAOYSA-N 354.818 5.462 0 50 FKAA Fc1ccc(CSc2nnc(SCc3ccccc3F)s2)cc1 2371350 IODPXOXIRMSDPD-UHFFFAOYSA-N 366.483 5.401 0 50 FKAA Clc1ccc([C@H](c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 2575426 CVUGPAFCQJIYDT-CYBMUJFWSA-N 354.491 6.496 0 50 FKAA biogenic,in-vitro Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc(Cl)cc1 2883196 VNYVUZFXOIRAOC-UHFFFAOYSA-N 356.878 5.343 0 50 FKAA CC(C)[C@@H]1C[C@@](CCNCc2ccccc2F)(c2ccccc2)CCO1 4181369 MSNDYHDGMIZQPJ-GOTSBHOMSA-N 355.497 5.078 0 50 FKAA Cc1ccc(C(C)(C)C[C@@H](C)NCc2ccc(Br)cc2)o1 5031676 UWTPZVWOJAINEH-CYBMUJFWSA-N 350.300 5.197 0 50 FKAA CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1cccc(C)c1 13325491 OJXVJANFCMHCJI-UHFFFAOYSA-N 361.873 5.358 0 50 FKAA CCOc1cc(CN[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC 19721042 NTZVVYNGGFOLFS-QFIPXVFZSA-N 361.485 5.168 0 50 FKAA S=C(Nc1ccccc1)N(C1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1 22014278 QITMOQSHQJHWSX-NHCUHLMSSA-N 350.531 5.574 0 50 FKAA Cc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c(C)c1 245328146 SITHMOVLUSCACU-NPCUJANDSA-N 352.305 5.098 0 50 FKAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1 253501925 OKMHWOWJDRPCCT-LIWUTXLXSA-N 356.506 5.165 0 50 FKAA Fc1ccc(C2=CC[C@@H](N[C@H](c3ccc(F)cc3)c3ncc[nH]3)CC2)cc1 446883321 FZIVRKGYONTDDR-NHCUHLMSSA-N 365.427 5.003 0 50 FKAA C[C@@H]1C[C@@H](NC(=O)NCCCCc2ccccc2)C[C@H](c2ccccc2)C1 2325866293 GVORQBPWKSRLQJ-WWPVKYPJSA-N 364.533 5.281 0 50 FKAA CC(C)(c1ccccc1)c1ccc(OCCCSc2ncccn2)cc1 2845308 NBFIXHXCKYPQHN-UHFFFAOYSA-N 364.514 5.364 0 50 FKAA CC(C)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 2870771 PMRMDWPCEICEDS-UHFFFAOYSA-N 351.874 5.474 0 50 FKAA O=C(CCSCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 4060227 QJKKDLXWMLHQOF-UHFFFAOYSA-N 359.705 6.153 0 50 FKAA CCC(C)(C)C1CCC(NC(=S)Nc2cccc(Cl)c2Cl)CC1 17076415 VCYVBUHNCCQEID-UHFFFAOYSA-N 373.393 6.275 0 50 FKAA FC(F)(F)c1cc(-c2cccc3ccccc23)nc2onc(C3CC3)c12 20605787 KGZBDFHDHAQTGN-UHFFFAOYSA-N 354.331 5.939 0 50 FKAA CCOc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)cc1 64984544 ZNCJXKFAZYSBDU-OAQYLSRUSA-N 352.478 5.543 0 50 FKAA C[C@@H](c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1)N1CCCC1 96141289 QLVVCXHRIUNMJS-IBGZPJMESA-N 362.517 5.137 0 50 FKAA CCCC[Sn](CCCC)(CCCC)C1=CCOCC1 169822336 DQPBQTZZZCVCLD-UHFFFAOYSA-N 373.169 5.721 0 50 FKAA CC1(C)C=CC([Si](C)(c2ccccc2)c2cccc3ccccc23)=CC1 169828478 LQFSBXWSTXUKLR-UHFFFAOYSA-N 354.569 5.484 0 50 FKAA O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 225406356 KLPRTZBSMHIVOM-PVWHLQNVSA-N 357.460 5.172 0 50 FKAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H]4[C@@H](CC[C@H]32)C4(Cl)Cl)c(C)c1 245328147 SITHMOVLUSCACU-YCCFLXJFSA-N 352.305 5.098 0 50 FKAA Cc1ccc(-n2nc(C(=O)OCC[C@H]3CCCc4ccccc43)cc2C)cc1 1875336338 XDKGGRQMKSFKJH-HXUWFJFHSA-N 374.484 5.156 0 50 FKAA CC(C)(C)c1ccccc1NC(=O)c1cccc(Cn2cc(Cl)cn2)c1 1069271 AGBKUZKDEHUEJF-UHFFFAOYSA-N 367.880 5.135 0 50 FKAA O=C(CCCOc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 1779435 WZHQFSQOBQORPK-UHFFFAOYSA-N 361.441 5.063 0 50 FKAA CCCCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 1801424 PBKFXFITFNOZRM-SDNWHVSQSA-N 365.473 5.419 0 50 FKAA Cc1ccccc1N[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2c(C)cccc21 2260706 ACLHIXHXMIGRBU-CVDCTZTESA-N 370.496 5.896 0 50 FKAA O=C(c1ccc2c(c1)c1ccccc1n2Cc1ccccc1)C(F)(F)F 2494045 OUZKGNYYXUXSGR-UHFFFAOYSA-N 353.343 5.588 0 50 FKAA CCN(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1Cl 2741903 KGUKUIFLTHDOQR-UHFFFAOYSA-N 366.288 5.201 0 50 FKAA COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 3191630 JXUQDYVWLJXWEG-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA biogenic O=C(Nc1ccc2c(c1)OCO2)N1CCCCC[C@@H]1c1ccc(Cl)cc1 35561796 SFFNAOKIAWMBCT-QGZVFWFLSA-N 372.852 5.218 0 50 FKAA COc1ccc(OC)c2c1[C@H]1C(=C(C)C)[C@H]2c2c(F)c(F)c(F)c(F)c21 101050806 HAZODKJEOGUBOS-ZIAGYGMSSA-N 364.338 5.187 0 50 FKAA O=C(Nc1cccc(Br)c1)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 253387579 KVFSWFSBUJJKAD-WOVFQEGDSA-N 374.322 5.716 0 50 FKAA O=C(c1cccc(F)c1)n1c(SCc2ccccc2)nc2ccccc21 1144800 DVCBGALRRJLDDX-UHFFFAOYSA-N 362.429 5.156 0 50 FKAA Cc1oc2cc3oc(=O)cc(-c4ccccc4)c3cc2c1-c1ccccc1 2151251 ZMIIZHRLBSGLCB-UHFFFAOYSA-N 352.389 6.182 0 50 FKAA biogenic O=C(Nc1cccc2cccnc12)NC1c2ccccc2Oc2ccccc21 4788928 KEHUVNROJOYREG-UHFFFAOYSA-N 367.408 5.252 0 50 FKAA Cc1ccccc1N(C(=O)c1cccc(F)c1)c1nc2c(s1)CCCC2 4828396 QUWVPAUPNBIKAB-UHFFFAOYSA-N 366.461 5.448 0 50 FKAA c1ccc(-c2c3c(nc4c2CCc2ccccc2-4)-c2ccccc2CC3)cc1 8656021 UXQDRWBSPXCAKM-UHFFFAOYSA-N 359.472 6.280 0 50 FKAA CCc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)cc1 14991031 AJJUASDJWXKEMW-UHFFFAOYSA-N 365.498 5.078 0 50 FKAA CCc1cc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=S)[nH]c2s1 17076054 XPLSGRBRSWBOFG-UHFFFAOYSA-N 371.314 5.038 0 50 FKAA Clc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccn1 20543119 YXWCEMHVEJUBGT-QHCPKHFHSA-N 373.887 5.364 0 50 FKAA CCCCCCOc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1 43794343 QOSDDNTYRMLJLY-UHFFFAOYSA-N 368.517 6.598 0 50 FKAA in-vitro O=C(Nc1cccc2ccccc12)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 101665043 UFQISGODMCVDRI-QBPKDAKJSA-N 374.311 5.634 0 50 FKAA Cc1cc(NC(=O)c2cccc(Cl)c2F)ccc1NC(=O)C(C)(C)C 827617310 UGHQYGYMDXLKPN-UHFFFAOYSA-N 362.832 5.024 0 50 FKAA FC(F)(F)c1cccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c1 2325824059 NRROBVSVJBWCKY-UHFFFAOYSA-N 355.772 5.043 0 50 FKAA O=C(NCCC1=CCCCC1)[C@H](Sc1ccccc1)c1ccccc1 656267 MKYSRUMSUGBPHF-OAQYLSRUSA-N 351.515 5.527 0 50 FKAA Cc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3Cl)n2)cc1 946994 WISHCJMKEGEJAP-ZHACJKMWSA-N 354.862 5.424 0 50 FKAA Cc1c(OC(=O)c2cccc(F)c2)ccc2c(-c3ccccc3)cc(=O)oc12 950201 XJYAGYBRNHCHJX-UHFFFAOYSA-N 374.367 5.127 0 50 FKAA Cc1cc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)c2ccccc2n1 1423710 SLDLCZACDSSFDU-UHFFFAOYSA-N 356.212 5.567 0 50 FKAA Cc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1Cl 2175755 YLTOZTQZBJEWDM-CABCVRRESA-N 354.664 5.174 0 50 FKAA COc1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 2854661 AROXKBVJWOFTSI-UHFFFAOYSA-N 374.746 5.020 0 50 FKAA O=C(CCCOc1ccccc1)Nc1ccccc1Sc1ccccc1 2874601 CAUXKTILFBNVOG-UHFFFAOYSA-N 363.482 5.636 0 50 FKAA CN(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 5102291 ZMWONUMYDKBTPK-UHFFFAOYSA-N 359.256 5.465 0 50 FKAA CC(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 13329931 JKJFVNSGQWCTCU-LBPRGKRZSA-N 351.277 6.000 0 50 FKAA CC(C)=CC[C@](C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[Si](C)(C)C 169831338 WUJVTNKEEJQMMM-RCLSDMTESA-N 352.635 6.445 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]12C 257350113 UTGYMZAUDAYPOM-RXJAWACHSA-N 370.665 8.274 0 50 FKAA Cc1ccc(S[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 820653 HRPBHIZYXNQYJY-HNNXBMFYSA-N 374.720 5.213 0 50 FKAA O=S(=O)(Nc1ccc(Nc2ccccc2)cc1)c1ccc2ccccc2c1 1217471 DSKDJVUSPAMGGP-UHFFFAOYSA-N 374.465 5.384 0 50 FKAA CC(C)(C)Cc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 2820830 GJOVWCOEHWKBQG-UHFFFAOYSA-N 351.475 5.046 0 50 FKAA CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccc(C)c2)n1 2858725 BOOCNNNPCNQJTG-UHFFFAOYSA-N 357.413 5.173 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccco1)c1ccccc1 4472022 RNABANJROUGQMV-QGOAFFKASA-N 357.331 5.478 0 50 FKAA C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4811621 ZXTUUVPXCBWAAJ-DKERFCRFSA-N 373.540 5.540 0 50 FKAA O=C(NCc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 6658314 LUHDRVQPFRVCRO-UHFFFAOYSA-N 363.269 5.047 0 50 FKAA Cc1ccccc1NC(=S)NCCC(c1ccccc1)c1ccccc1 8687554 NBCFSEOTQRYTSM-UHFFFAOYSA-N 360.526 5.504 0 50 FKAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC[C@@H]1c1cccnc1 12430110 AVLJVCGYIWDRPF-HXUWFJFHSA-N 367.880 5.426 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 786520 BOTSVVPSOIDZTF-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 1131871 HASSABRWXYDSEZ-UHFFFAOYSA-N 358.157 5.029 0 50 FKAA c1ccc2[nH]c(SCCCCCSc3nc4ccccc4[nH]3)nc2c1 2073235 NDLJKMGJLXKEEU-UHFFFAOYSA-N 368.531 5.494 0 50 FKAA CCCCc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 2485753 UOVUQNOWUWJHRB-UHFFFAOYSA-N 357.251 5.509 0 50 FKAA CCCCC[C@@H](CC)OC(=O)c1ccccc1C(=O)OCc1ccccc1 2521504 AMJMHZXMMFYORT-LJQANCHMSA-N 368.473 5.559 0 50 FKAA Cc1ccc2ccccc2[n+]1CCCCCC[n+]1c(C)ccc2ccccc21 3121711 PMGBWZKZICVEKT-UHFFFAOYSA-N 370.540 5.445 0 50 FKAA O=c1c2c3c(sc2[nH]c(=S)n1C1CCCCC1)-c1ccccc1CC3 6460710 ZKCQUWBWMZQRGC-UHFFFAOYSA-N 368.527 5.391 0 50 FKAA Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@@H]1c1ccc(F)cc1 12192234 CAVIQWYEQGSTFK-HXUWFJFHSA-N 370.855 5.780 0 50 FKAA Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H]1c1ccc(F)cc1 12192243 CAVIQWYEQGSTFK-FQEVSTJZSA-N 370.855 5.780 0 50 FKAA CC[C@@H](C)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 13329979 ULBJPECXFVLLMG-CHWSQXEVSA-N 365.304 6.390 0 50 FKAA Cc1ccc(CN(C(=O)Nc2ccc(OC(F)F)cc2C)C2CC2)s1 426408930 KKUNLIKVAVMEGB-UHFFFAOYSA-N 366.433 5.163 0 50 FKAA CCCCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1Cl 1616135201 VWVAZMXTNHNJDM-SJORKVTESA-N 370.880 5.211 0 50 FKAA O=C1C[C@@H](c2cccc(Br)c2)c2ccc3ccccc3c2N1 727562 NITRHOSZVLWRHB-KRWDZBQOSA-N 352.231 5.076 0 50 FKAA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)c(F)c1 755656 HVSRYLCSCVHLTL-UHFFFAOYSA-N 366.392 5.494 0 50 FKAA CCOc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 947497 XWDDLZCTVARYJK-UHFFFAOYSA-N 358.393 5.651 0 50 FKAA COc1ccc([C@H](CC(=O)c2ccc(C)cc2)Nc2ccc(F)cc2)cc1 1050642 OLSZXXIBEVPVQY-QFIPXVFZSA-N 363.432 5.569 0 50 FKAA CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 1177667 MYPWYGHCNXJLNW-QFIPXVFZSA-N 358.441 5.029 0 50 FKAA CC(C)Cc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 1194344 BCVNETCZSAYOBF-UHFFFAOYSA-N 352.459 5.481 0 50 FKAA CCCCC(=O)N1c2c(C)cccc2[C@H](Nc2ccccc2C)C[C@@H]1C 2294457 LIBNLSDLFDLODY-GHTZIAJQSA-N 350.506 5.772 0 50 FKAA O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2520617 QRLKMVDSYMCXIG-UHFFFAOYSA-N 370.279 6.345 0 50 FKAA Brc1ccc(-c2ccc(/C=C/c3nc4ccccc4o3)o2)cc1 4020766 VVDSYBJIOBPBFU-ZRDIBKRKSA-N 366.214 6.021 0 50 FKAA Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC3(C)C)cc1 4854109 XNPMSFJCJNXCKU-QGZVFWFLSA-N 371.278 5.037 0 50 FKAA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccc(F)cc3F)C2)c1 20452710 NIIGMQZXDDMXRL-SFHVURJKSA-N 367.443 5.043 0 50 FKAA Oc1ccc(/C(=C(\c2ccccc2)c2ccc(O)cc2)c2ccccc2)cc1 59083280 ZYIGFXHZSKIVOO-OCEACIFDSA-N 364.444 6.105 0 50 FKAA O=c1[nH]c([C@H]2CCCCS2)nc2scc(-c3ccccc3Cl)c12 225574167 ITYGGYOLLLDDMR-CYBMUJFWSA-N 362.907 5.263 0 50 FKAA Cc1sc2nc(-c3cncc(Cl)c3)nc(O)c2c1-c1ccc(F)cc1 1875303510 BLHHBHVNJDHGIS-UHFFFAOYSA-N 371.824 5.227 0 50 FKAA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1F 725736 ZFNNKTWVOVPTLD-IERDGZPVSA-N 360.432 5.418 0 50 FKAA Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1 753343 MARBUXQLJNSOOJ-UHFFFAOYSA-N 351.471 5.080 0 50 FKAA CC(C)(C)[C@H]1CC=C2C(=C(Nc3ccccc3)C(=O)N2c2ccccc2)C1 1424280 XRFRIEBJLCJFKJ-KRWDZBQOSA-N 358.485 5.739 0 50 FKAA CC(C)CCC[C@@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2110993 HXWPYCIMJMUQQY-WIYYLYMNSA-N 355.547 5.851 0 50 FKAA COc1ccc(C2=NN(c3ccccc3F)[C@@H](c3ccc(F)cc3)C2)cc1 5073951 MTIDYGMOONZOIQ-JOCHJYFZSA-N 364.395 5.329 0 50 FKAA COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1Cl 16994090 PFFUSGBMNWQIMT-UHFFFAOYSA-N 358.850 5.033 0 50 FKAA CCc1ccccc1NC(=O)CCn1cnc(-c2ccccc2)c1C1CC1 65491930 ZOTQWASOBDLSCM-UHFFFAOYSA-N 359.473 5.019 0 50 FKAA O=C(Nc1cccnc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1 170640952 CKFAHIQSJMYFJK-UHFFFAOYSA-N 366.726 5.266 0 50 FKAA Cc1ccc(-c2cccc(CN[C@H](c3ccccc3)[C@@H](O)C(C)C)c2)cc1 1875317285 TVTIQGVFIVPUOI-RPBOFIJWSA-N 359.513 5.510 0 50 FKAA Fc1ccc(-c2csc(-c3nnc(-c4cccc(Cl)n4)o3)c2)cc1 1875341965 QRIFSYIRTRIUQB-UHFFFAOYSA-N 357.797 5.320 0 50 FKAA CN(C(=O)CCC1CCCC1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 2325817705 OLBHARLQKHNVHP-JOCHJYFZSA-N 373.899 5.997 0 50 FKAA O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc(Cl)c1Cl 642736 RPXFBHSGWGETHW-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(C)c1 648113 BOECLDZJFMOTNI-UHFFFAOYSA-N 371.480 5.623 0 50 FKAA aggregator Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccccc2C(C)C)o1 1156470 FTKMEKORJSWDGU-UHFFFAOYSA-N 353.849 6.284 0 50 FKAA COc1ccccc1OCCCCOc1cccc(Oc2ccccc2)c1 4702138 BKSICHROYCJVSL-UHFFFAOYSA-N 364.441 5.726 0 50 FKAA O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccc(F)c1 4820960 CDQJQCPOZKKQCN-UHFFFAOYSA-N 374.440 5.869 0 50 FKAA Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C1=CCCCC1 11764845 RUDIJOHEUIISQO-DEOSSOPVSA-N 370.496 5.451 0 50 FKAA Cc1cccc(-c2nc(CN(C)[C@@H](C)c3nc(C)sc3C)c(C)o2)c1 11843174 PBQWGJOSTMKSMV-ZDUSSCGKSA-N 355.507 5.225 0 50 FKAA S=c1sc2c(s1)S[C@@H]1CCCCCCCCCC[C@@H]1S2 12363308 IHUAOFOFJHWYCF-TXEJJXNPSA-N 362.676 7.389 0 50 FKAA CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO 33506774 ASKIVFGGGGIGKH-FQEVSTJZSA-N 358.563 5.000 0 50 FKAA biogenic c1ccc(C(c2ccccc2)N2CC(Oc3cccc4ccccc34)C2)cc1 34549480 XUKPDISQHWQWOX-UHFFFAOYSA-N 365.476 5.692 0 50 FKAA CCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 245189335 WGFSWBDOBWRRQU-WGSAOQKQSA-N 366.501 6.378 0 50 FKAA O=C(Nc1cccc(Br)c1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 253387581 KVFSWFSBUJJKAD-ZOYJPBRRSA-N 374.322 5.716 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](C(C)C)[C@@]4(C)CC[C@H]32)C1 257348184 BZAWVWWSERJTFM-POQFJEDQSA-N 360.582 6.233 0 50 FKAA CC(C)c1nc(COC(=O)Cc2cc3c(ccc4ccccc43)o2)cs1 2325852401 DGUKMKMGKPRPLN-UHFFFAOYSA-N 365.454 5.452 0 50 FKAA COc1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(OC)cc2)cc1 607940 CIPBQTCSXVEDSG-UHFFFAOYSA-N 365.376 5.513 0 50 FKAA in-man Cc1cc(OC(=O)Nc2cccc(Br)c2)cc(C)c1Cl 641175 ZPWIMYUHDIOSLO-UHFFFAOYSA-N 354.631 5.330 0 50 FKAA Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2Cl)o1 647485 JRTRBOHWNDJTHS-UHFFFAOYSA-N 355.221 5.475 0 50 FKAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 1218644 MQHLULYDHWQLKD-SNVBAGLBSA-N 358.652 5.361 0 50 FKAA Cc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C 1253948 OXJVTYIKTYGUKW-UHFFFAOYSA-N 358.854 5.119 0 50 FKAA O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1cccc(Br)c1 1382562 RRCOSJYMSZYLCJ-UHFFFAOYSA-N 360.638 5.329 0 50 FKAA Cc1sc2ncnc(Oc3cccc4ccccc34)c2c1-c1ccccc1 1801679 BSYSJRKHGTWVOC-UHFFFAOYSA-N 368.461 6.612 0 50 FKAA Cc1ccc(-c2csc3ncnc(Oc4ccc5ccccc5c4)c23)cc1 2679382 RIGVDPWBBKFNHB-UHFFFAOYSA-N 368.461 6.612 0 50 FKAA Cc1oc(-c2cccc(F)c2)nc1CN1CCC[C@@H](c2ccccc2)C1 23129168 PWAZOVBOIJHBPA-LJQANCHMSA-N 350.437 5.169 0 50 FKAA Cc1ccc(C(=O)N(Cc2cccc3ccccc23)c2ccccn2)cc1 1857799388 ZKRJCDSZPYKDPA-UHFFFAOYSA-N 352.437 5.390 0 50 FKAA C[C@@H]1SC2(CCCCC2)N(c2ccc(Nc3ccccc3)cc2)C1=O 1875281535 GORGTCGOVPVPOP-INIZCTEOSA-N 352.503 5.559 0 50 FKAA C[C@H](c1ccco1)N(C(=O)c1ccc(Cl)cc1Cl)c1ccccn1 630651 MGOQURJSSXCKID-GFCCVEGCSA-N 361.228 5.389 0 50 FKAA Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)c1 756619 HTARPMRNCJGOJW-UHFFFAOYSA-N 361.470 5.265 0 50 FKAA CC(C)Oc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 937346 KSPLNPVXUJMZHJ-UHFFFAOYSA-N 366.486 5.169 0 50 FKAA O=C(CCc1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1 1198824 BZXSUJVLOFKEDH-UHFFFAOYSA-N 358.466 5.535 0 50 FKAA Clc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1Cl 2696320 NVGCVSSRZCJFRG-UHFFFAOYSA-N 369.295 6.019 0 50 FKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCC1=CCCCC1 2773727 UEVCLKGMGJKKDZ-UHFFFAOYSA-N 370.496 5.831 0 50 FKAA Cc1cc(Cl)cc(Cl)c1OC(=O)Nc1cccc(Cl)c1Cl 3086141 BZOYDPIOZDAFBV-UHFFFAOYSA-N 365.043 6.220 0 50 FKAA CC(=O)c1cc(CN2CC[C@H](c3ccnc(-c4ccccc4)c3)C2)cs1 65526096 LTXUHKMGPCENLU-FQEVSTJZSA-N 362.498 5.002 0 50 FKAA C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(Cl)c(Cl)c1Cl 169950626 RNTHWGPBLLUVLZ-RNCFNFMXSA-N 358.700 5.109 0 50 FKAA COc1ccc(NC2(C(=O)N(C)[C@H](C)c3cccs3)CCCCC2)cc1 1506429711 WCROZKFDHAJUGM-MRXNPFEDSA-N 372.534 5.091 0 50 FKAA COCCN(Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@@H]1CC[C@@H](C)C1 1875356905 RBMKUZUQUUVEQC-HZPDHXFCSA-N 364.599 5.030 0 50 FKAA Cc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1 826965 FOPCFDNZNVYFOX-UHFFFAOYSA-N 354.409 5.417 0 50 FKAA Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)oc2c1 989425 FJJODEOZMPLGGP-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)oc2ccccc12 1207975 LYJYLZQZSHSHRF-UHFFFAOYSA-N 369.380 5.197 0 50 FKAA O=C(Nc1ccccc1)Nc1ccccc1C(=O)Oc1ccc(Cl)cc1 1217854 GIAGXIZPSUEPSB-UHFFFAOYSA-N 366.804 5.203 0 50 FKAA Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 1220016 FRYOGKMOAUBOSI-UHFFFAOYSA-N 363.804 5.104 0 50 FKAA O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 2114812 PKIDOMMVGOLDKZ-UHFFFAOYSA-N 356.252 5.590 0 50 FKAA CCN(CC)CCNc1cc(-c2ccccc2)nc2ccc(Cl)cc12 4541746 ZPLFKFRELDMWJN-UHFFFAOYSA-N 353.897 5.309 0 50 FKAA Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 4542139 VDRKWQDBDQEWOR-UHFFFAOYSA-N 358.652 5.281 0 50 FKAA CC1=C2CC[C@H]3[C@@H]4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 5191710 YKMWBUJFIQUVEI-WUHRWZBBSA-N 362.557 6.838 0 50 FKAA CSc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 11945127 HTXRAAACLYYBGY-CYBMUJFWSA-N 373.472 5.032 0 50 FKAA O=Cc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 144832278 AZCDODQGYOZLAD-UHFFFAOYSA-N 364.448 5.298 0 50 FKAA CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2o1 1124863 HZGIDYCIVXGFHM-CYBMUJFWSA-N 352.459 5.073 0 50 FKAA O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2cccc(Cl)c2)o1 1135093 AHTQOZIDLLPWGD-UHFFFAOYSA-N 366.848 5.453 0 50 FKAA CCc1ccc(OCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 2986546 OIINKGVXVWZFSS-UHFFFAOYSA-N 372.468 5.394 0 50 FKAA Cc1ccc(C)c(NC(=O)Nc2ccc(C(Cl)(Cl)Cl)cc2)c1 3086033 OUDKPGCGWHZERY-UHFFFAOYSA-N 357.668 5.774 0 50 FKAA CN(C1=NC(=O)[C@H](c2ccccc2)[C@H](c2ccccc2)S1)c1ccccc1 5569851 FGCZHNAOOBAQQP-RTWAWAEBSA-N 372.493 5.277 0 50 FKAA Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1 19760646 DJQSQUYKHMHLPD-UHFFFAOYSA-N 370.496 5.114 0 50 FKAA O=C(Nc1cncc2ccccc12)c1ccnc2cc(Cl)c(Cl)cc12 2325822340 RDLMQTIEQKQNMJ-UHFFFAOYSA-N 368.223 5.342 0 50 FKAA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2ccccc2c1 659588 SLCPACZCSFFXHM-UHFFFAOYSA-N 364.404 5.900 0 50 FKAA CCN(CC)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1087114 KCYWCOAVDZZFLH-UHFFFAOYSA-N 358.485 5.303 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-c2ccccc2)cc1 1779798 OWKAVWVAKHHOQV-UHFFFAOYSA-N 357.497 6.853 0 50 FKAA ClC1=C(Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 2518924 YFKSIMKOFQPMQX-PHDIDXHHSA-N 367.701 5.521 0 50 FKAA CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(OC)c2)C1 2558464 YHBIABXWMLATQH-ZDUSSCGKSA-N 372.534 5.132 0 50 FKAA c1ccc(COc2ccc(OCCCn3cnc4ccccc43)cc2)cc1 2868745 UXFCEYWNLNRZSV-UHFFFAOYSA-N 358.441 5.084 0 50 FKAA O=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)O 4262019 DGXRZJSPDXZJFG-UHFFFAOYSA-N 370.574 6.958 0 50 FKAA biogenic,in-vitro C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13320414 PQLPTAATJXPIKW-LBPRGKRZSA-N 370.802 5.502 0 50 FKAA COc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)cc1 20602800 DKIPVLGPMRBRMH-UHFFFAOYSA-N 365.383 5.342 0 50 FKAA CC(C)C[C@@H](C)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 67966374 IKVKYYDGUDIFOT-CQSZACIVSA-N 352.400 5.417 0 50 FKAA Cc1ccc([C@H]2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C 112983388 CYHYIIFODCKQNP-HXUWFJFHSA-N 350.502 5.949 0 50 FKAA in-vitro O=C(c1ccc(Cl)cc1)N1N=C(c2ccsc2)C[C@H]1c1cccs1 328597849 JBQRDGWIKRIMSN-INIZCTEOSA-N 372.902 5.455 0 50 FKAA COCCC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C)c(C)c3)cc2)C1 426677832 DEBXSEBMMIWXGH-FQEVSTJZSA-N 365.517 5.249 0 50 FKAA COCCn1cc(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)cn1 1875340371 YBGIKYQDEDXTPJ-UHFFFAOYSA-N 362.351 5.008 0 50 FKAA CSc1cccc(NC(=O)Oc2cc(C)c(Cl)c(C)c2Cl)c1 641574 BSQMWJOWNLTRGQ-UHFFFAOYSA-N 356.274 5.943 0 50 FKAA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc2ccccc2c1 911481 FBBBTRFVPSPBJS-UHFFFAOYSA-N 365.392 5.295 0 50 FKAA Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)cc2C)cc1 1066325 YLTLTXOETYVBGJ-CYBMUJFWSA-N 364.308 5.185 0 50 FKAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(F)cc3C)c2c1 1073558 NQZHZFUKODHGLX-UHFFFAOYSA-N 371.415 5.305 0 50 FKAA O=C(CSc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl 1217895 VLDITSQWFGGLJC-UHFFFAOYSA-N 369.298 5.334 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)/C=C\c4ccccc4)cc3)oc2c1 22108869 VUTAVJOCUZNUCC-ZSOIEALJSA-N 354.409 5.455 0 50 FKAA C(=C\c1ccc(/C=C\c2ccc3ccccc3c2)o1)\c1ccc2ccccc2c1 43763757 BOBPBPUUPOLSSM-NFLUSIDLSA-N 372.467 7.927 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3cc(CC)ccc23)c2ccccc21 95215368 GNPOOHZSCSYKPJ-UHFFFAOYSA-N 369.508 6.778 0 50 FKAA in-vitro C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cccc(Cl)c1 221967173 LJKVZKNQXBKZNI-LUIVIUGWSA-N 352.305 5.095 0 50 FKAA Cc1cc(NC(=O)CCCc2cccs2)ccc1NC(=O)C(C)(C)C 828046581 NHWOWCLDUJXHOQ-UHFFFAOYSA-N 358.507 5.003 0 50 FKAA Cc1cc(C(=O)N2CCCC2)c2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2 1848442460 RXVCMSKVJHACSQ-XMMPIXPASA-N 362.517 5.131 0 50 FKAA Clc1ccccc1N1CCN(C2CCC(c3ccccc3)CC2)CC1 757801 XYVIHHVKDIFZAL-UHFFFAOYSA-N 354.925 5.188 0 50 FKAA CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1807974 RMCGTYDNKIIXAD-UHFFFAOYSA-N 359.425 5.173 0 50 FKAA CCn1c2ccccc2c2cc(NC(=O)CSc3ccccc3)ccc21 2838929 ZWMMTJLPACVQHS-UHFFFAOYSA-N 360.482 5.545 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)c1ccc(CSc2ccccc2)cc1 2985012 FINCPBRLOUNLAI-UHFFFAOYSA-N 367.901 6.193 0 50 FKAA O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1Cl 4754646 BXWQZLVZUSJJSE-DHDCSXOGSA-N 364.253 5.230 0 50 FKAA Cc1cc(NCCc2ccccc2)n2ncc(-c3ccccc3Cl)c2n1 5270552 VCQWKWKXEDMVEA-UHFFFAOYSA-N 362.864 5.013 0 50 FKAA Clc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H]2CCCO2)cc1 13774324 HZDJXFMKBTWMHC-BKBKCADHSA-N 370.905 5.281 0 50 FKAA OC1=NC(=S)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 16134164 MERSOXJRJWZSND-GHXNOFRVSA-N 366.261 5.038 0 50 FKAA Cc1ccccc1OCCN1COc2ccc3oc4ccccc4c3c2C1 55174854 VEGDSRWDFQQJAY-UHFFFAOYSA-N 359.425 5.125 0 50 FKAA CC1=C(CCN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)C(C)(C)CCC1 822312331 WWZLJBPOGJFEEW-GOTSBHOMSA-N 358.614 5.632 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cc(Cl)cc(Cl)c1 641125 OEROCOPYDDIGGC-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA Cc1ccc(S[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 820654 HRPBHIZYXNQYJY-OAHLLOKOSA-N 374.720 5.213 0 50 FKAA Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 1175917 MAVHZOBCYPBIPD-UHFFFAOYSA-N 360.910 5.073 0 50 FKAA C[P@](=O)(Nc1ccc(SC(F)(F)F)cc1)Oc1ccc(F)cc1 1231938 LZKHUFINRJNQJS-JOCHJYFZSA-N 365.288 5.751 0 50 FKAA CCCC(=O)Nc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 2464180 IWENFTMUEUKFCD-UHFFFAOYSA-N 370.537 5.533 0 50 FKAA O=C(CSc1cccc2cccnc12)c1ccc(-c2ccccc2)cc1 2869980 LNVKZBWVGCKPEK-UHFFFAOYSA-N 355.462 5.877 0 50 FKAA COc1cc(C=O)ccc1OCCCCOc1cc(C(C)C)ccc1C 2991052 RGBMTWLUWXAKFY-UHFFFAOYSA-N 356.462 5.178 0 50 FKAA COc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)ccc1O 4303005 XVDSDTVEVIGEEH-UHFFFAOYSA-N 368.436 5.544 0 50 FKAA CC(=O)Nc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccs3)C2)cc1 4747572 MFIIXFKHYLDAEC-HXUWFJFHSA-N 361.470 5.062 0 50 FKAA COc1ccc(CC(=O)NC2CCCCCCCCCCC2)cc1OC 4833844 NFKSDWQMBHMILH-UHFFFAOYSA-N 361.526 5.036 0 50 FKAA CC(=O)Oc1cccc2ccc(/C=C/c3ccc(Br)cc3)nc12 4845459 RBACPGHZQOTMOG-YRNVUSSQSA-N 368.230 5.093 0 50 FKAA COc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C)nn23)cc1 5246280 GOMPCCMMZRNPJK-UHFFFAOYSA-N 358.445 5.074 0 50 FKAA O=C(Nc1cccnc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 6616218 NCTLEAGHAXDBBN-UHFFFAOYSA-N 359.816 5.203 0 50 FKAA Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccccc3Cl)c2C)c1 13331477 HMESDBFFSRAPNJ-UHFFFAOYSA-N 368.868 5.154 0 50 FKAA O=C(N1CCN=C1c1ccccc1)N1c2ccccc2Sc2ccccc21 19814928 MFEKXAREQWTRHU-UHFFFAOYSA-N 371.465 5.172 0 50 FKAA CC(C)=CC[C@](C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1 43762747 ITQHHPDCFLJGHC-SPHCQZIESA-N 356.550 6.305 0 50 FKAA CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1 96282638 YJWLCIANOBCQGW-HZJYTTRNSA-N 369.593 7.116 0 50 FKAA biogenic,in-vitro Fc1ccc(CSc2ncnc3scc(-c4ccccc4)c23)cc1 955542 IDHSDBVYFXVBEM-UHFFFAOYSA-N 352.459 5.790 0 50 FKAA CCC(=O)N(c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)c(C)s1 1149007 RCBXHHZEGSAZDT-UHFFFAOYSA-N 370.449 5.341 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 2999837 AYOBLHAGVVNTDX-UHFFFAOYSA-N 362.267 5.189 0 50 FKAA O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)C1CCCCC1 5013336 AFIMBYZPQRAFFD-UHFFFAOYSA-N 367.927 5.003 0 50 FKAA Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 6700868 LKOSIZWJYZXXIT-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA Cc1ccc2nc(-c3cc(NC(=O)c4cccs4)ccc3Cl)oc2c1 15723903 KQQMIIXNWXGRTP-UHFFFAOYSA-N 368.845 5.770 0 50 FKAA CN(Cc1coc2ccc(Cl)cc2c1=O)Cc1cccc2ccccc12 55291899 FIUDBHXSKPORNS-UHFFFAOYSA-N 363.844 5.232 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 257348858 JKMWTLBCBAHXAC-SKXDOYTLSA-N 374.653 7.079 0 50 FKAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccc(-c3ccccc3C)cc1)C2 1704298558 IAWCVZDJMPMJGK-VWNXMTODSA-N 363.501 5.083 0 50 FKAA Cc1cc(C(F)(F)F)ccc1CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 1875318904 YYOOFJVBQYEBCM-OAQYLSRUSA-N 372.434 6.222 0 50 FKAA Clc1ccc([C@H](SC2=N[C@@H]3CCCC[C@H]3N2)c2ccccc2)cc1 2332237346 DTXXLHVMDKBRTQ-GUDVDZBRSA-N 356.922 5.433 0 50 FKAA O=C(c1sc2cccc(Cl)c2c1Cl)N1CCCc2ccccc21 689044 YURGTHDRLDUGDT-UHFFFAOYSA-N 362.281 5.801 0 50 FKAA CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 713738 QRXBPZUWWLGXLP-JOCHJYFZSA-N 358.441 5.165 0 50 FKAA CC1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1 1116931 NJVVMBWAIBKRBD-UHFFFAOYSA-N 374.937 5.307 0 50 FKAA O=C(Nc1cccc(Cl)c1)Oc1ccc(Cl)cc1Cc1ccccc1 1732643 GIQQTWNSESFVTM-UHFFFAOYSA-N 372.251 6.195 0 50 FKAA COc1cccc(OC)c1OCCCOc1c(C)cc(Cl)cc1Cl 2985565 LBGFRWDQWHICMV-UHFFFAOYSA-N 371.260 5.167 0 50 FKAA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3C=C[C@]12C 43758795 BEDPXTVFPSLUPA-DGJNRDHSSA-N 372.593 6.401 0 50 FKAA COc1cccc(CNC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 64984944 RJIAWJPYLQCGEU-HXUWFJFHSA-N 372.896 5.176 0 50 FKAA CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1ccc2scnc2c1 96138311 GRHPVGQRHBYHHR-QGZVFWFLSA-N 354.479 5.087 0 50 FKAA CCCCP(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3 115231126 UDVCTSICDMIKSD-UHFFFAOYSA-N 358.550 6.918 0 50 FKAA CC(=O)N1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 245254625 BHCVEZXVFMWSNG-ZKMPZPQNSA-N 369.464 5.074 0 50 FKAA C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]1(C)[C@H]2C 257349779 RCUTXCNUFHNHOK-MPHBWOHWSA-N 374.565 5.078 0 50 FKAA c1cc(NCc2ccc3c(c2)OCO3)cc(-c2nc3ccccc3s2)c1 708256 BVIHQGKLEOFOFB-UHFFFAOYSA-N 360.438 5.304 0 50 FKAA Cc1ccc([C@]2(CCN[C@@H](C)c3ccccc3)CCOC(C)(C)C2)cc1 1177040 XKIIMXKOMFCIEX-GBXCKJPGSA-N 351.534 5.563 0 50 FKAA biogenic CCOc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 1202757 FEVXEESIHQCBNC-QHCPKHFHSA-N 370.452 5.169 0 50 FKAA Cc1ccc(CC[S@@](=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cn1 16133973 IOGUAECADBDVGK-VWLOTQADSA-N 357.563 5.335 0 50 FKAA CC[C@@H](C)Nc1cc(C)nc2c(-c3ccc(F)cc3)c(C(F)(F)F)nn12 21799181 BFIODBCFHQIEBQ-SNVBAGLBSA-N 366.362 5.073 0 50 FKAA COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1Cl 36620477 CNUBDVCIUILRDW-KRWDZBQOSA-N 374.868 5.035 0 50 FKAA Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)s1 42484223 FKDYOLPRZZLGRN-OAHLLOKOSA-N 373.472 5.104 0 50 FKAA Cc1c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)oc2c(C)cccc12 253431367 PNCKDKSTYCFQGW-UHFFFAOYSA-N 367.289 5.007 0 50 FKAA COc1ccccc1-c1noc(C)c1C(=O)Nc1cccc(C2CCC2)c1 1875335999 OVAXZCIRALACIV-UHFFFAOYSA-N 362.429 5.178 0 50 FKAA O=C(COc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 1085605 FRJKJUBJQZXDHH-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA C[C@H](C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 1135604 NBWJXZDLMJRBGM-JTQLQIEISA-N 372.184 5.210 0 50 FKAA CCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2846845 YIFXRSWLJWVELQ-UHFFFAOYSA-N 368.260 5.433 0 50 FKAA Cc1cc(Cl)c(OCCCOc2ncnc3ccccc23)c(Cl)c1 2981143 CMGXGGCYVGVEPA-UHFFFAOYSA-N 363.244 5.093 0 50 FKAA CC(C)N(C(=S)Sc1cccc2c1sc1ccccc12)C(C)C 3051812 YGLQACMZSKCZCS-UHFFFAOYSA-N 359.585 6.550 0 50 FKAA Cc1ccc(C2=NN(c3ccc(F)cc3F)[C@@H](c3cccs3)C2)cc1 4614192 SRQPGZZEJCDDOI-LJQANCHMSA-N 354.425 5.690 0 50 FKAA Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 4951769 WOBKMDANERWUDX-FOCLMDBBSA-N 352.437 5.173 0 50 FKAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 5228677 GFHOQCXDABGYAL-YKTHMNQYSA-N 360.538 5.166 0 50 FKAA Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)c3ccccc3n2)cc1 9348657 FAPUKHLIKVDLOP-UHFFFAOYSA-N 355.397 5.047 0 50 FKAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)s1 20603251 TXNSSTBPEQYHSI-UHFFFAOYSA-N 373.403 5.843 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](C(C)=O)[C@@H](C)C[C@@H]4[C@H]3CC[C@H]2C1 257349660 PZCXJZFJUJOEBZ-LTOCJGBVSA-N 372.549 5.332 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@]43C)[C@@H]1C1(CC2)SCCS1 257350453 XNXDXWRARMMNIA-WMDIELAYSA-N 350.637 6.596 0 50 FKAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1cccc2ccccc12 1875319359 ZACNLQVOWKQLJH-UHFFFAOYSA-N 370.470 5.048 0 50 FKAA Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccc(Cl)cc3)n2c1 623238 JCEPGYAUBRCACR-UHFFFAOYSA-N 361.832 5.215 0 50 FKAA Cc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 652095 MLYKPRVJWXHXQN-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA Cc1cc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)no1 717128 RTFMHLUXWQLEJE-UHFFFAOYSA-N 364.511 5.154 0 50 FKAA O=C(C[C@H](Nc1ccc2ncccc2c1)c1ccc(F)cc1)c1ccccc1 754957 FOMOASQJJDJECM-QHCPKHFHSA-N 370.427 5.800 0 50 FKAA CC(C)CCC[C@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2110995 HXWPYCIMJMUQQY-GHTZIAJQSA-N 355.547 5.851 0 50 FKAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 2774338 FTWPDGNHEBXMGS-OAHLLOKOSA-N 367.832 5.538 0 50 FKAA COc1cc(C)ccc1OCCCOc1ccc(Cl)c2ccccc12 2985255 ZXIUNBYPGIGLNS-UHFFFAOYSA-N 356.849 5.658 0 50 FKAA CCCNc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 3104510 GNMNJZWXYLBKMV-UHFFFAOYSA-N 369.921 5.911 0 50 FKAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc3oc(C(C)C)nc3c2)C1 12595292 ORSIAWPECIZKET-GOSISDBHSA-N 362.473 5.279 0 50 FKAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2nc3ccccc3s2)C1 20536473 UXJXWSYMCBOUJR-HNNXBMFYSA-N 370.905 5.045 0 50 FKAA COc1cc(Cl)ccc1-c1nc(-c2ccc(C)cc2)nn1C1CCC1 1875349072 LPXYGBJQIKEUSI-UHFFFAOYSA-N 353.853 5.308 0 50 FKAA CCc1cc(C(=O)OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)s1 676007 ULIWPYKONFPRIH-UHFFFAOYSA-N 365.454 5.016 0 50 FKAA O=c1oc2cc(OCc3ccc(F)cc3)c(Cl)cc2c2c1CCCC2 944803 DKBRMXLKAUVXCS-UHFFFAOYSA-N 358.796 5.043 0 50 FKAA CC(=O)CCc1oc2c(Br)cc(C)cc2c1-c1ccc(C)o1 1164157 LGOZZLBBVGQXOF-UHFFFAOYSA-N 361.235 5.594 0 50 FKAA Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 1212120 UFOJVWCLQYXYJY-UHFFFAOYSA-N 370.452 5.981 0 50 FKAA Brc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 1726749 RSFLPIGKWXARAL-UHFFFAOYSA-N 352.275 5.656 0 50 FKAA CCCCn1c(/C=C/c2cccc(Br)c2)nc2ccccc21 4114915 ICRHIYDNSLIZFP-VAWYXSNFSA-N 355.279 5.769 0 50 FKAA O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(-c2ccccc2)cc1 6341138 QRFBDGHERLMDES-UHFFFAOYSA-N 357.331 5.983 0 50 FKAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@@H](C)c1ccon1 11879338 RBUOVUPHZPCOBP-INIZCTEOSA-N 373.456 5.498 0 50 FKAA Cc1ccc(N[C@H]2CCCN(C(=O)Nc3cccc(C)c3C)C2)cc1C 12301205 SIJHEICDVKIZKO-FQEVSTJZSA-N 351.494 5.029 0 50 FKAA OC1=NC(=S)S/C1=C/c1ccc(-c2ccccc2Br)o1 23634263 ZFVXMPKQDRYFOU-KPKJPENVSA-N 366.261 5.038 0 50 FKAA O=C(c1ccccc1)n1c2ccccc2c2cc(Br)ccc21 149645316 CSLLZWBWBQIUIG-UHFFFAOYSA-N 350.215 5.246 0 50 FKAA in-vitro CCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 248249338 RSEPBGGWRJCQGY-GJTYKATRSA-N 356.506 5.350 0 50 FKAA biogenic Cc1cnccc1CN(C)C(=O)c1ccc(-c2ccccc2OC(C)C)cc1 426635492 PHYQMABZWQMAAK-UHFFFAOYSA-N 374.484 5.116 0 50 FKAA CCCCCn1nc(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc21 575631032 KCCVWUAAHDXNNQ-UHFFFAOYSA-N 366.505 5.352 0 50 FKAA in-vitro C[C@@H](NCc1cc(-c2ccccc2Cl)on1)c1coc2ccccc12 2325878206 IEECISUCAFGFHO-CYBMUJFWSA-N 352.821 5.592 0 50 FKAA O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1Cl 636710 ATQSCZPFRDHCGB-UHFFFAOYSA-N 363.269 5.293 0 50 FKAA O=C(COC(=O)c1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1 992030 WDFQJVSKKTXFGV-UHFFFAOYSA-N 356.849 5.427 0 50 FKAA CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1cc(C)ccc1C 1101733 CWZOBDRJJBJYAZ-UHFFFAOYSA-N 364.514 5.940 0 50 FKAA O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 1213338 SAPXMYRICRCHCX-IBGZPJMESA-N 352.796 5.250 0 50 FKAA Cc1ccc(S[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1 2857410 OPRFINLASBPGAH-CQSZACIVSA-N 365.951 5.038 0 50 FKAA COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1 4657427 GFLZAPCJCWPPDY-UHFFFAOYSA-N 363.860 5.099 0 50 FKAA O=C1C[C@@H](c2cccc(Cl)c2Cl)c2ccc3c(O)cccc3c2N1 4913773 BGLHRAOWIVXNAV-AWEZNQCLSA-N 358.224 5.326 0 50 FKAA COc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 5720573 ZCAIWNHPCDNMGQ-NHCUHLMSSA-N 351.833 5.579 0 50 FKAA CSc1cccc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)c1 12076192 LQWBEJZYPJIAAS-UHFFFAOYSA-N 368.546 5.039 0 50 FKAA c1ccc(-c2ncn([C@H](c3ccccc3)c3ccco3)c2-c2c[nH]cn2)cc1 67822146 YVGVGDJHSIRCOT-JOCHJYFZSA-N 366.424 5.171 0 50 FKAA FC(F)(F)c1cc(Cl)c(OCc2cccnc2)cc1Br 74937879 ABRUIRMIPAJSKB-UHFFFAOYSA-N 366.564 5.095 0 50 FKAA O=C(c1cc(-c2ccco2)nc2ccccc12)N(c1ccccc1)C1CC1 1875324060 FPXCFVTVFWXLBY-UHFFFAOYSA-N 354.409 5.304 0 50 FKAA CC1(C)CC[C@H](NC(=O)CCC(=O)c2cccs2)[C@@H](c2ccccc2)C1 1875329275 OGIYOVLDRPHJEF-MSOLQXFVSA-N 369.530 5.190 0 50 FKAA CC[C@@H](C)c1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 947763 JYQMDNNOGBVOCI-CYBMUJFWSA-N 368.864 6.069 0 50 FKAA Cc1ccc(C(=O)Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1C 1115311 XSCLXUUEXSITMU-UHFFFAOYSA-N 367.452 5.112 0 50 FKAA O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1Cc1ccco1 1205737 LDPIZTPEHKVLEP-SFHVURJKSA-N 373.239 5.353 0 50 FKAA COc1ccccc1NC(=O)[C@@H]1CC1(c1cccc(C)c1)c1cccc(C)c1 1215010 JGGLHJGRNUCVFM-NRFANRHFSA-N 371.480 5.257 0 50 FKAA Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 2737335 GKIJAQMVLUMRMJ-UHFFFAOYSA-N 370.427 5.279 0 50 FKAA O=C(Oc1ccc2ccccc2c1Cl)N(c1ccccc1)c1ccccc1 2812870 STYSCZUMRLBPTE-UHFFFAOYSA-N 373.839 6.830 0 50 FKAA CCCCOC(=O)c1ccc(/N=c2\cc(C)[nH]c3ccc(Cl)cc23)cc1 5848097 ZLWMRFCQYOISOL-UHFFFAOYSA-N 368.864 5.319 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](C1CCCCC1)O2 13616357 LCGGUXZFRVKMTP-IRLDBZIGSA-N 366.892 5.790 0 50 FKAA C[C@@H](CN1CCOc2c(O)cc(-c3cccs3)cc2C1)c1ccccc1 14991297 HMWNSGQBKLNCBC-INIZCTEOSA-N 365.498 5.119 0 50 FKAA COc1cccc(-c2nc3cc(NC(=O)/C=C\c4ccccc4)ccc3o2)c1 15659693 MLSZTKQFCYQTKR-RAXLEYEMSA-N 370.408 5.155 0 50 FKAA Ic1ccc2c(c1)c1ccccc1n2-c1ccccc1 16523981 PJUAIXDOXUXBDR-UHFFFAOYSA-N 369.205 5.388 0 50 FKAA in-vitro Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc(F)cc3F)C2)c1 20452708 NIIGMQZXDDMXRL-GOSISDBHSA-N 367.443 5.043 0 50 FKAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 244719212 LYTULOLEGBNPAR-FAHYXWLWSA-N 372.723 5.443 0 50 FKAA CC[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 916995260 IHJCNQWSNMEVJT-DLBZAZTESA-N 357.803 5.133 0 50 FKAA C[C@H](CC1=CCCCC1)Nc1ccc2c(c1)CCC(=O)N2CC1CCCC1 2325817611 GFGUMNHZSPCROA-GOSISDBHSA-N 366.549 5.847 0 50 FKAA Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 848902 JWZVDSKFDNLYPN-CMDGGOBGSA-N 372.424 5.665 0 50 FKAA O=C(Nc1cccc2ccccc12)C1C(c2ccccc2)=C1c1ccccc1 1064230 BUVSJQXXQPGHQI-UHFFFAOYSA-N 361.444 6.019 0 50 FKAA C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 1114711 VTQSZOQEIPZKBR-CYBMUJFWSA-N 370.905 5.631 0 50 FKAA Clc1ccccc1/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1 2088981 FNQIZGMGBKJZHR-ROMGYVFFSA-N 371.827 5.862 0 50 FKAA CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1 2836349 JKOLDOFOLMBOEH-AWEZNQCLSA-N 362.907 5.459 0 50 FKAA COc1cc2c(cc1NC(=O)Nc1ccc(Cl)cc1)oc1ccccc12 2842996 PONLRDIJLZWQJJ-UHFFFAOYSA-N 366.804 5.892 0 50 FKAA CC(C)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl 2886549 REZNIWPDPARGTB-UHFFFAOYSA-N 351.874 5.474 0 50 FKAA O=C(Oc1ccccc1-c1ccccc1)c1sc2ccccc2c1Cl 2896639 OIPKZECJEDXKGK-UHFFFAOYSA-N 364.853 6.441 0 50 FKAA O=C(Nc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21 2987136 ONMYEJFNJNPMSB-UHFFFAOYSA-N 352.846 6.175 0 50 FKAA biogenic COc1ccccc1[C@@H](CCNCc1ccccc1)[C@@H]1CCOC(C)(C)C1 4027686 HWUFYAOJZSCVJE-RTWAWAEBSA-N 367.533 5.164 0 50 FKAA biogenic Fc1ccc(C2=NN3[C@H](C4CCCCC4)Oc4ccccc4[C@H]3C2)cc1 5739511 UBNLCKMPRDWXTI-IRLDBZIGSA-N 350.437 5.276 0 50 FKAA Cc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1Cl 6152695 TVAWAJZEYYAZKQ-UHFFFAOYSA-N 370.836 5.085 0 50 FKAA COc1ccc(-c2nc(CN(C)[C@H](C)c3cccs3)c(C)o2)c(F)c1 12431766 GECRNWYTKXBPHY-GFCCVEGCSA-N 360.454 5.052 0 50 FKAA CC(C)[C@H]1CC[C@H](C(C)C)P1CCP1[C@@H](C(C)C)CC[C@@H]1C(C)C 71769533 IRVIFEWWPYKALC-GXRSIYKFSA-N 370.542 7.636 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1nccs1 169745189 WUOFQGMXQCSPPV-UHFFFAOYSA-N 374.182 5.199 0 50 FKAA CC(C)CC[C@H](CCN[C@@H](C)c1cccs1)[C@H]1CCOC(C)(C)C1 245326830 LUPYCHXACSWWHP-OTWHNJEPSA-N 351.600 6.046 0 50 FKAA CC(=O)c1ccc(F)cc1-c1cccc(C(=O)N2CCC3(CCCC3)C2)c1 426668984 JLALCUPGSHQZKD-UHFFFAOYSA-N 365.448 5.102 0 50 FKAA CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C)c1 682944 QHXBDNBZMMXNSR-UHFFFAOYSA-N 351.277 5.400 0 50 FKAA CC1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 1110168 IWCUGLMMEBARKP-UHFFFAOYSA-N 374.937 5.307 0 50 FKAA CC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1 1808638 PFJQVLVGHDTSMX-UHFFFAOYSA-N 373.843 5.896 0 50 FKAA Cc1ccc(-n2c(SCc3ccccc3C)nc3ccccc3c2=O)cc1 2369946 SGRDTHDBFXKHGO-UHFFFAOYSA-N 372.493 5.295 0 50 FKAA O=C(CCNc1ccc(Cc2ccncc2)cc1)c1cc2ccccc2o1 4622520 GVEPTOCKUBHXCL-UHFFFAOYSA-N 356.425 5.104 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(Br)c(Cl)c2)cc1Cl 13320085 JJCLEVADYNKVRJ-UHFFFAOYSA-N 374.065 5.708 0 50 FKAA CCn1ccnc1CN1CCc2c([nH]c3ccccc23)[C@H]1C1CCCCC1 13596565 PHKDPTVXVFILDF-HSZRJFAPSA-N 362.521 5.064 0 50 FKAA Cc1cccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C)nn23)c1 27585472 XZCZKSNFNPWBJK-UHFFFAOYSA-N 362.864 5.719 0 50 FKAA O=C1NC(/C=C/c2ccccc2)=C(c2ccccc2)[C@@H](c2ccccc2)N1 754929 VOERGNCORYZWAF-KXKTWFEWSA-N 352.437 5.165 0 50 FKAA Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c[nH]2)c(C)c1 1049866 UZTUJGDYVMNBDN-MRXNPFEDSA-N 365.502 5.121 0 50 FKAA CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(C(C)=O)cc1 1147964 RYUSEUZTOIAEBJ-MRXNPFEDSA-N 370.499 5.008 0 50 FKAA Oc1ccc(Oc2c(F)c(F)c(Oc3ccc(O)cc3)c(F)c2F)cc1 1232817 LBYKVBRDNGOQMN-UHFFFAOYSA-N 366.266 5.239 0 50 FKAA Clc1c(Cl)c(-c2ccccc2)c(Cl)c(Cl)c1-c1ccccc1 2173358 GEHQHSCSGVAGIN-UHFFFAOYSA-N 368.090 7.634 0 50 FKAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)oc1ccccc12 3660015 SLBIBZITDPDYGV-UHFFFAOYSA-N 373.437 5.193 0 50 FKAA CCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 12656657 RSEPBGGWRJCQGY-SALXWAHTSA-N 356.506 5.350 0 50 FKAA Cc1ccc(C)c(NC(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1 15075111 UTSODWXBQBBAOA-QGZVFWFLSA-N 370.880 5.084 0 50 FKAA COc1ccc(N[P@](C)(=O)O[C@H](c2ccccc2)C(F)(F)F)cc1 100293479 QTJGMRADBUCYDH-OYLFLEFRSA-N 359.284 5.250 0 50 FKAA O=C(NCc1cccc(Oc2ccccc2F)c1)c1ccc2ncccc2c1 201164545 NHUJNEBLKOKBFH-UHFFFAOYSA-N 372.399 5.096 0 50 FKAA CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(C)[C@H](C)O)[C@@H]3CC[C@]2(C)C1 257347698 QUWRCMPXPZEVLG-GYXZEUGWSA-N 362.598 5.821 0 50 FKAA CC[C@@H](c1ccncc1)N(C)Cc1ccc(OCc2csc(C)n2)cc1 952846074 ACKIDLMBLUWCLT-NRFANRHFSA-N 367.518 5.009 0 50 FKAA CC(C)C[C@@H](F)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 1875341118 HEAVCVZCMIRCFP-GOSISDBHSA-N 370.399 5.489 0 50 FKAA O=C(C[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCCCC1=O)c1ccccc1 624376 COCTZSLDXMVZNK-SFTDATJTSA-N 368.904 6.236 0 50 FKAA Clc1ccc(Oc2ccc3noc(-c4ccccc4)c3c2)c(Cl)c1 866196 PQDROWWSYISEDU-UHFFFAOYSA-N 356.208 6.594 0 50 FKAA Cc1ccc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 952343 VXAFLHOQDUWPHZ-UHFFFAOYSA-N 360.482 5.099 0 50 FKAA Cc1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1-c1ccccc1 1067814 PTWLXZWIZIJHGC-UHFFFAOYSA-N 371.337 5.530 0 50 FKAA Cc1ccccc1CNC(=O)c1ccc(CSCc2ccccc2)cc1 1110070 PHYYJJVKQGDKRQ-UHFFFAOYSA-N 361.510 5.358 0 50 FKAA O=C(NC1CCCCC1)c1cccc(COc2ccc3ccccc3c2)c1 1143653 SHLDCFGNEUIZGK-UHFFFAOYSA-N 359.469 5.481 0 50 FKAA CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 1153719 SBIBBRQFXAFQMV-UHFFFAOYSA-N 372.424 5.075 0 50 FKAA Fc1ccc([C@H]2CC(c3cccs3)=NN2c2cccc(Cl)c2)cc1 4611242 OMUSXSAJOGECHI-GOSISDBHSA-N 356.853 5.896 0 50 FKAA CC[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 668599 LZWSBDQXMCIDBF-HSZRJFAPSA-N 359.469 5.073 0 50 FKAA O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccs1 1101342 BMAZWNMLRZHFMK-UHFFFAOYSA-N 370.433 5.962 0 50 FKAA aggregator Cc1ccccc1-c1cc(C(=O)Nc2ccccc2F)c2ccccc2n1 1114330 MOWCGLLTSYHJHW-UHFFFAOYSA-N 356.400 5.602 0 50 FKAA O=C(Nc1ccc(F)cc1F)c1sc2cccc(Cl)c2c1Cl 1115223 SVZSQQCNFLURJV-UHFFFAOYSA-N 358.196 5.739 0 50 FKAA COc1ccc(CCNc2nc(-c3ccc(C)cc3C)cs2)cc1OC 1221264 HFZLURKGOFOXMM-UHFFFAOYSA-N 368.502 5.099 0 50 FKAA S=C(Nc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 1421209 LHQLNQZAZPARAI-UHFFFAOYSA-N 352.890 5.416 0 50 FKAA Cc1ccc2c(c1)NC(C)(C)c1sn(-c3ccc(C)c(C)c3)c(=S)c1-2 2069961 PATCGHHDDXKDIV-UHFFFAOYSA-N 366.555 6.521 0 50 FKAA C[C@@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1ccc2c(c1)CCCC2 2322282 PGSVYBVILQPZOJ-HOYKHHGWSA-N 361.529 5.717 0 50 FKAA Cc1nn2c(Nc3ccc(F)cc3)c3c(nc2c1-c1ccccc1)CCC3 2325347 FXUBDWLMGBEYMS-UHFFFAOYSA-N 358.420 5.076 0 50 FKAA O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2)CCCC1 2381278 KFMZDHZURPZIQO-UHFFFAOYSA-N 371.480 5.716 0 50 FKAA CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)c3ccccc3)ccc12 2430161 BMZUJWLOBVXBGS-MRXNPFEDSA-N 364.441 5.094 0 50 FKAA Cc1cccc(C)c1NC(=O)CCCOc1ccc(Cl)cc1Cl 2742378 YCYOMUOPCHYFEX-UHFFFAOYSA-N 352.261 5.408 0 50 FKAA CCCN(CCC)c1ccc(-c2ccc(N(CCC)CCC)cc2)cc1 2900786 ZCBLQSCAPCECQQ-UHFFFAOYSA-N 352.566 6.606 0 50 FKAA O=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 3134953 BAZSQVVPQOFQKB-UHFFFAOYSA-N 354.542 5.292 0 50 FKAA CCc1ccc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 3877599 HNANYHZBEBWFDV-UHFFFAOYSA-N 361.485 5.433 0 50 FKAA biogenic C[C@H](NCC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)c1cccs1 4898470 KXPJSSIVKJYOLN-CEWLAPEOSA-N 371.590 5.853 0 50 FKAA O=C(Nc1ccc(C(F)(F)F)cc1)c1sc2cccc(F)c2c1Cl 8377767 ZORLQHJHMJTOFW-UHFFFAOYSA-N 373.758 5.965 0 50 FKAA COc1ccc2cc(-c3n[nH]cc3CN[C@H](C)c3cccs3)ccc2c1 12434018 GGFIQYLGYLXJKM-CQSZACIVSA-N 363.486 5.151 0 50 FKAA Cc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)c(C)c1 13739394 DCFUSFLDKWEREP-VHXPQNKSSA-N 356.494 6.055 0 50 FKAA Cc1ccccc1[C@@H]1CCCN1Cc1cnc2c(-c3ccccc3)cnn2c1 67757504 LKNWPKPFHKYCOE-QHCPKHFHSA-N 368.484 5.042 0 50 FKAA OC1=C[C@@]2(CCC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 100671012 ATYUUWKZMABGCU-PZJWPPBQSA-N 366.848 5.206 0 50 FKAA Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccc(Cl)c2)c1 170618222 VLUSEHWDHNFKOE-LJQANCHMSA-N 364.832 5.233 0 50 FKAA CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3C[C@H](c4ccccc4)NN23)cc1 215940632 NNUWRAGPZLVXPM-AKFKNWHVSA-N 372.468 5.169 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Oc1c(Cl)cc(Cl)cc1Cl 641039 DLGOHMNKFOFKFF-UHFFFAOYSA-N 351.016 5.911 0 50 FKAA c1ccc(Cn2c(CSc3nc4ccccc4o3)nc3ccccc32)cc1 991461 RTPVIFGDSCWWDS-UHFFFAOYSA-N 371.465 5.518 0 50 FKAA O=C(NCc1ccccc1F)c1cc(-c2cccs2)nc2ccccc12 1068293 XYVBMCOQJMKMNE-UHFFFAOYSA-N 362.429 5.032 0 50 FKAA CC(C)COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 1163043 ORDYZEJWNJDIQZ-UHFFFAOYSA-N 366.244 5.059 0 50 FKAA COc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 1167345 HKYBAFQQQPVYJI-HMMYKYKNSA-N 363.844 5.528 0 50 FKAA Cc1ccc(-c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1 1177702 DIZWVWLWWGCDJE-UHFFFAOYSA-N 353.347 5.391 0 50 FKAA C=Cn1c2ccc(Br)cc2c2cc(Br)ccc21 2571936 ORMIJZCMQBMNFA-UHFFFAOYSA-N 351.041 5.420 0 50 FKAA Brc1ccccc1OCCCCOc1cccc2cccnc12 4701795 BEYMABNWRIXPOR-UHFFFAOYSA-N 372.262 5.235 0 50 FKAA CC(C)(C)c1ccc(C(=O)NCCOc2cccc(Cl)c2Cl)cc1 4845235 MZVNOTNEYSLYHN-UHFFFAOYSA-N 366.288 5.100 0 50 FKAA CCc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)oc2ccccc23)cc1 4958127 HLJVCFBWJVXFCB-UHFFFAOYSA-N 374.465 5.275 0 50 FKAA CC[C@@H](C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 5337003 IVYBUKQFBOFYFZ-OAQYLSRUSA-N 364.512 6.946 0 50 FKAA COc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)cc1 18175685 XFLGDSPSLWXROF-UHFFFAOYSA-N 365.285 6.178 0 50 FKAA FC(F)(F)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1 170101658 LSSYABIMVAHEAC-UHFFFAOYSA-N 365.358 6.059 0 50 FKAA Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)c1cc(C(C)C)[nH]n1 1875320659 UFNUFYCOVINSSQ-LBPRGKRZSA-N 373.453 5.022 0 50 FKAA Cc1nn(-c2ccccc2)c2cc(-c3ccccc3)cc(C(F)(F)F)c12 2325809612 OMQZMSUNELTKFZ-UHFFFAOYSA-N 352.359 6.020 0 50 FKAA c1ccc(Nc2nc(Nc3ccccc3)nc(Oc3ccccc3)n2)cc1 828661 ZHEGXCVABHDXMY-UHFFFAOYSA-N 355.401 5.151 0 50 FKAA Cc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1C 1148765 ONOPCJGKDMXBJX-UHFFFAOYSA-N 354.302 5.482 0 50 FKAA Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c(C)c1 1154166 GUJNMJUGWSJQOE-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA c1ccc2[nH]c(CSc3nc4ccccc4n3C3CCCCC3)nc2c1 1167518 GQKYRFLNUURKAX-UHFFFAOYSA-N 362.502 5.710 0 50 FKAA O=C(Cc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 1219079 FTRTVNNBFXPLFE-UHFFFAOYSA-N 362.816 5.329 0 50 FKAA Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1 1886732 FIWFCTYAXQVJQG-UHFFFAOYSA-N 352.261 5.408 0 50 FKAA O=C(CCC1CCCCC1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 2879704 CTLCOPNKIWAGIM-UHFFFAOYSA-N 365.433 5.296 0 50 FKAA CCCC[C@H](CC)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 4704448 UIQZAKXJNILHRO-INIZCTEOSA-N 368.477 5.102 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1cccs1)O2 4854278 CRHIXCIBDOYDRY-KSSFIOAISA-N 372.902 5.705 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3c(CC)cccc23)c2ccccc21 71746334 GZTHGJZKDOBJTK-UHFFFAOYSA-N 369.508 6.778 0 50 FKAA in-vitro Cc1ccc(C(=O)N(C)c2ccccc2)cc1NC(=O)[C@H](C)c1ccccc1 214076271 QFBXQYBOUGHYHO-GOSISDBHSA-N 372.468 5.014 0 50 FKAA CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C=CCC[C@]4(C)[C@@H]3CC[C@@]12C 253609448 RLHIRZFWJBOHHD-XUACHYEOSA-N 368.649 8.194 0 50 FKAA Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nc2c1 1226738 KOQXBIPQJPWIKL-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CN(C)c1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)cc1 2519592 ZTUADTMLVROGFB-UHFFFAOYSA-N 350.512 6.000 0 50 FKAA FC(F)(F)c1ccc(CCNCCc2ccc(C(F)(F)F)cc2)cc1 2553841 IQJRQBYQEVSVQG-UHFFFAOYSA-N 361.329 5.099 0 50 FKAA Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)O)cc2)c1 4168026 AWKMPWGQZAGVJW-UHFFFAOYSA-N 355.434 5.104 0 50 FKAA CCCCc1c(-c2ccc(C(C)C)cc2)[nH]c(-c2ccccc2O)[n+]1[O-] 5421400 ILDOZGDLFXMXLZ-UHFFFAOYSA-N 350.462 5.154 0 50 FKAA Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@H](C)c1ccon1 11879337 RBUOVUPHZPCOBP-MRXNPFEDSA-N 373.456 5.498 0 50 FKAA FC(F)(F)c1cnc(Sc2ccc(Br)cc2)c(Cl)c1 20358025 FMTIQAUSAOPFNI-UHFFFAOYSA-N 368.605 5.668 0 50 FKAA Cc1cc(C)c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C)c1 641054 BQBMBHQSAIJZBN-UHFFFAOYSA-N 372.679 5.590 0 50 FKAA CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 994531 MYAAXXFYQYAHIT-KRWDZBQOSA-N 372.877 5.260 0 50 FKAA CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 1124826 MGKAXXCGACJWTF-UHFFFAOYSA-N 363.482 5.182 0 50 FKAA CC(C)c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 1161435 IVAHVAKDLCKVJX-JLHYYAGUSA-N 374.440 5.307 0 50 FKAA CCCCOc1cccc(C(=O)Nc2ccc(N(CC)CC)cc2C)c1 2854927 LNMNVRNVCWPRNU-UHFFFAOYSA-N 354.494 5.272 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)NCCSC(C)(C)C)cc2)cc1 2876107 VZQJNALIVPPCMH-UHFFFAOYSA-N 373.587 5.549 0 50 FKAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc([C@H](C)CC)cc2)cc1 2985792 ABHDBXUAKZJJGE-OAHLLOKOSA-N 370.518 5.116 0 50 FKAA CCCCCC(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 3155628 PPUYQIBDXZHGCY-ZDUSSCGKSA-N 354.730 5.172 0 50 FKAA C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 4810914 OZBRFERMTUFVCF-MRXNPFEDSA-N 365.860 5.410 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1cccs1)O2 13616653 CRHIXCIBDOYDRY-KDOFPFPSSA-N 372.902 5.705 0 50 FKAA CCOc1ccc(NC(=O)N2CCCCC[C@H]2c2cccc(C)c2)cc1 64984545 ZNCJXKFAZYSBDU-NRFANRHFSA-N 352.478 5.543 0 50 FKAA Cc1cc(Cl)ccc1NC(=O)Oc1cc(C)c(Br)c(C)c1 640781 SLWYXLODRQAULK-UHFFFAOYSA-N 368.658 5.639 0 50 FKAA Cc1ccc(S(=O)(=O)C2c3ccccc3Sc3ccccc32)cc1 643961 NTBRTRDAWAKDGT-UHFFFAOYSA-N 352.480 5.023 0 50 FKAA CC1(C)C[C@H](c2nc(-c3ccc(Br)cc3)cs2)CCO1 754673 WJJSRODBFJSOON-GFCCVEGCSA-N 352.297 5.245 0 50 FKAA O=C(Nc1cccc(C(=O)Nc2cccc3ccccc23)c1)c1ccccc1 1176646 RKWOXFVYHWZBQW-UHFFFAOYSA-N 366.420 5.344 0 50 FKAA CCCN(CCC)C(=O)C[C@H](c1ccccc1)c1ccc(C)c(C)c1O 1177189 HXJMLIDJVZGLIJ-OAQYLSRUSA-N 353.506 5.180 0 50 FKAA Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1C 1206858 SAPVTPOIZVCOQT-UHFFFAOYSA-N 370.246 5.578 0 50 FKAA CCn1c(SCc2cc(C)ccc2C)nc2sc(C)c(C)c2c1=O 2233368 PSQHDNVBPMXLET-UHFFFAOYSA-N 358.532 5.004 0 50 FKAA CC(C)(C)c1cc(CCc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O 2319072 KVTOZXNHPVAVEF-UHFFFAOYSA-N 350.506 5.649 0 50 FKAA CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccco1 2454222 FRZGDMHWDSDMHJ-UHFFFAOYSA-N 354.262 5.157 0 50 FKAA O=C1CC[C@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)c3cccc1c32 184365009 OAARJNZVSSBLGS-IBGZPJMESA-N 353.421 5.074 0 50 FKAA COc1ccc(C)cc1NC(=O)N1c2ccccc2Sc2ccccc21 780065 AQEPRZICCROUIE-UHFFFAOYSA-N 362.454 5.838 0 50 FKAA COc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1 828372 CAISBOLWNVMBDP-VGOFRKELSA-N 372.468 5.287 0 50 FKAA O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1cccc2ccccc12 1197119 FFHVORCESUJDLH-UHFFFAOYSA-N 353.425 5.470 0 50 FKAA Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)c1 1215861 KQVLGCLCYFMBED-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA c1ccc(CSCc2ccccc2CSCc2ccccc2)cc1 2173147 JHBHXXULPYESNH-UHFFFAOYSA-N 350.552 6.553 0 50 FKAA C/C=C/c1ccc(OCCOCCOc2c(C)ccc(C)c2C)c(OC)c1 2991393 YCFVMFPQFGCHRZ-VOTSOKGWSA-N 370.489 5.128 0 50 FKAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1Cl 3000302 NXCQGXQLKYKATF-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA CC(=O)c1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc1C 4011574 AAMSNHCSTIRCBX-LJQANCHMSA-N 361.470 5.010 0 50 FKAA COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1Cl 36620966 MJDMRTZKBXUJLL-QGZVFWFLSA-N 374.868 5.035 0 50 FKAA CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(CO)CO 141782339 CUJUUWXZAQHCNC-CGRWFSSPSA-N 364.570 5.502 0 50 FKAA Cc1ccc(-c2csc3nc(=S)n(-c4ccccc4)c(O)c23)cc1 253496641 OHSUBZQBOYGFAR-UHFFFAOYSA-N 350.468 5.498 0 50 FKAA CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C(=O)c5ccccc5)CC[C@H]34)[C@]2(C)CC1 257359094 YKMWBUJFIQUVEI-WJAGAATRSA-N 362.557 6.838 0 50 FKAA COc1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 622293 XWYRDXIVCRVMPK-UHFFFAOYSA-N 358.393 5.048 0 50 FKAA biogenic CCOc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 1201952 GFXUKRJKHWCRQX-UHFFFAOYSA-N 370.246 5.253 0 50 FKAA Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 1787241 UDUFHXLERHWFDP-UHFFFAOYSA-N 352.261 5.408 0 50 FKAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1cccc(Cl)c1 1925964 UJHYPQOPFOBSTI-SDNWHVSQSA-N 363.844 5.571 0 50 FKAA Cc1ccccc1N[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2c(C)cccc21 2260707 ACLHIXHXMIGRBU-WMZHIEFXSA-N 370.496 5.896 0 50 FKAA C1=Nc2ccccc2-c2ccccc2N=Cc2ccccc2-c2ccccc21 3080620 IJXNIPITMSENPV-UHFFFAOYSA-N 358.444 6.835 0 50 FKAA O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc2ccccc2o1 4592708 MECFTASOBLVXHA-UHFFFAOYSA-N 372.355 5.632 0 50 FKAA Cc1ccc([C@@H](CCN[C@@H](C)c2ccc(Cl)cc2)c2ccco2)cc1 4872641 PEGLORYKIOVUDR-LAUBAEHRSA-N 353.893 6.114 0 50 FKAA Brc1ccc(OCc2ccccc2)nc1OCc1ccccc1 65337574 BHPOOUUMRGOCIR-UHFFFAOYSA-N 370.246 5.002 0 50 FKAA C[C@H](c1cccc2ccccc12)N(C)C(=O)c1ccccc1-c1ncc[nH]1 97532599 AHJBWKWFNXKGCI-MRXNPFEDSA-N 355.441 5.063 0 50 FKAA C[Si](C)(C)c1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@H]3CCC1 195821994 DNNWFXVZCVGWPJ-QHCPKHFHSA-N 374.604 5.080 0 50 FKAA O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H]2CCCC(F)(F)C2)CC1 225770039 MVQGOELRURBIEX-CQSZACIVSA-N 355.856 5.060 0 50 FKAA CC(=O)OC1=C(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@H]2CC1 257357012 LNNIMWRQUDXYPM-ORTBWWLCSA-N 374.609 7.138 0 50 FKAA Cc1ccccc1N(C(=O)CSc1nc2ccccc2s1)C(C)C 334161739 DZOBCIHRTBQFQX-UHFFFAOYSA-N 356.516 5.138 0 50 FKAA C[C@@H](N[C@@H](C1CCCCC1)C1CCC1)c1cnc(-c2ccccn2)s1 2325827821 RBFQBTKYVDCWIN-QRWLVFNGSA-N 355.551 5.605 0 50 FKAA CCc1ccc2oc(-c3ccc(C)c(C(=O)Nc4ccccc4)c3)nc2c1 1156972 ACDSKQNYEDKUIC-UHFFFAOYSA-N 356.425 5.618 0 50 FKAA CCCC[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 2827446 YKVVWVOVKQYLPQ-NSHDSACASA-N 357.322 5.043 0 50 FKAA Cc1cccc(OC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1 2905704 CHJXQLQDPCKBCP-UHFFFAOYSA-N 353.421 5.738 0 50 FKAA Fc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3Cl)C2)cc1 4889404 ZTXZEZYXZUPZBV-NRFANRHFSA-N 350.824 5.835 0 50 FKAA O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cccs1 5016756 PQPWYXDCTKSNHG-UHFFFAOYSA-N 369.298 5.355 0 50 FKAA COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)cc1Br 15017804 JLCYZTCXNIKYLE-AGRHKRQWSA-N 374.278 5.011 0 50 FKAA CC[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 17073145 GJGHVRZACOEZSL-MRXNPFEDSA-N 353.318 5.740 0 50 FKAA Fc1ccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1 20602773 CNLZVQUSUYXVAF-UHFFFAOYSA-N 357.310 5.303 0 50 FKAA c1ccc(C2CCC(N3CCN4CCC[C@H]4[C@H]3C3CCCCC3)CC2)cc1 22078495 FMVHYYDTTWYONL-OSMLLJOWSA-N 366.593 5.442 0 50 FKAA CC(C)[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 25558609 IBKVVCZBZGCZNI-MJGOQNOKSA-N 361.272 5.519 0 50 FKAA Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)nn1 72437525 PGZXAHPEBPADJU-UHFFFAOYSA-N 367.840 5.134 0 50 FKAA CCCOc1ccc(Cl)cc1NCc1csc([C@@H]2CCCO2)n1 134825720 ZUEXAEDJDQNSLR-INIZCTEOSA-N 352.887 5.049 0 50 FKAA C[C@H](Cc1ccc2c(c1)CCCC2)N[C@H](C)c1nc(C2CCCCC2)no1 1875357722 UHIBWVBBEXMYNI-IAGOWNOFSA-N 367.537 5.278 0 50 FKAA CCc1cccc(N(C(=O)C[C@@H]2CCCC[C@@H]2C)[C@H]2C[C@H]3CC[C@H]2C3)c1 2325817723 PTOFXDBRRWUWNF-ZXDAYAIVSA-N 353.550 5.987 0 50 FKAA C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1C[C@@H]1c1ccccc1 2325866455 LHQDCEQZYKNGEU-RJOPBHBASA-N 368.908 5.077 0 50 FKAA CCCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c(O)cc1O 634572 QOPVEYMZXVZQFK-UHFFFAOYSA-N 365.458 5.026 0 50 FKAA CCCc1cc(=O)oc2cc(OCc3cccc(C(F)(F)F)c3)ccc12 949209 DNOCSCVERGFGRW-UHFFFAOYSA-N 362.347 5.343 0 50 FKAA CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 1088472 NHDQSYMPQVQYTD-SDNWHVSQSA-N 350.462 5.201 0 50 FKAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2o1 1218473 DCNCMVNYESLCPF-UHFFFAOYSA-N 373.252 5.723 0 50 FKAA CC[C@@H](c1cccc(Br)c1)[C@@H](C(C)=O)c1ccc(OC)cc1 1717621 NQVHJSWFJDJKRQ-OALUTQOASA-N 361.279 5.324 0 50 FKAA Clc1ccc(-c2cn3c([n+]2-c2ccc(Cl)cc2)CCCCC3)cc1 2597978 ZZXZVLKOZZUNDC-UHFFFAOYSA-N 358.292 5.465 0 50 FKAA CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc12 2981807 KZFCSXTYZOQLGM-UHFFFAOYSA-N 369.420 5.361 0 50 FKAA CCCCc1cc(=O)oc2cc(O[C@H](C)c3ccccc3)c(Cl)cc12 2995532 LZQFIJFJWDIUJA-CQSZACIVSA-N 356.849 5.929 0 50 FKAA Cc1ccc(Cn2nc(C)c3c(C(F)F)cc(-c4ccco4)nc32)cc1 20602756 RPRGDUCIBGTHHK-UHFFFAOYSA-N 353.372 5.294 0 50 FKAA COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 43758824 ZFTMPARDUAODSX-HOWNKQPCSA-N 360.538 5.024 0 50 FKAA Cc1c(F)cccc1-c1ccc(CNc2ccc3c(c2)NC(=O)CS3)o1 155772789 OFXNNIJBUYYTBR-UHFFFAOYSA-N 368.433 5.050 0 50 FKAA Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1O 245238775 ARYVICLZGFZHAR-NRGHRTOQSA-N 368.565 5.207 0 50 FKAA CSc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 1138708 VXBCZPFOYCEFJY-UHFFFAOYSA-N 365.523 5.953 0 50 FKAA Cc1ccc(-c2nnc(-c3cc(-c4ccccc4)nc4ccccc34)o2)cc1 2356406 ZUMJSPUHZWOVTF-UHFFFAOYSA-N 363.420 5.927 0 50 FKAA S=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 2979294 HGNJBWJWUUIEEZ-UHFFFAOYSA-N 364.301 5.004 0 50 FKAA COc1cc(C)ccc1OCCCOc1c(C)cc(Cl)cc1Cl 2985847 CWJPPSIQFPNQCM-UHFFFAOYSA-N 355.261 5.467 0 50 FKAA Cc1ccc2sc(-c3ccc(NCc4ccc5c(c4)OCO5)cc3)nc2c1 3656413 PIIYVDRJTQUADM-UHFFFAOYSA-N 374.465 5.613 0 50 FKAA Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccccc1 3893042 UMFNPXYRPNKXAQ-UHFFFAOYSA-N 366.530 5.508 0 50 FKAA Cc1ccc([C@@](O)(c2ccccc2)c2ccccc2[C@@H](C)N(C)C)c(C)c1 5008622 CBZLKJDOSMRWOF-NLFFAJNJSA-N 359.513 5.210 0 50 FKAA O=C(CCC1CCN(C[C@@H]2CC=CCC2)CC1)Nc1ccccc1Cl 12593577 KJRLHBDKFOXWAP-GOSISDBHSA-N 360.929 5.127 0 50 FKAA CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(CC)s3)nc21 20605187 IBJIDIAICKVLPB-UHFFFAOYSA-N 353.413 5.459 0 50 FKAA C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C 103009254 GRQROJVOZIQILL-BZPMIXESSA-N 372.292 5.080 0 50 FKAA O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cc(Cl)ccc1Cl 629942 HKSKRLNAZWCIFS-UHFFFAOYSA-N 361.011 5.101 0 50 FKAA Cc1cc(C)c2oc(-c3cccc(NC(=O)Cc4ccccc4)c3)nc2c1 989699 UOXHGGBUYVOHQV-UHFFFAOYSA-N 356.425 5.293 0 50 FKAA O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl 1111977 XTHBBVLYWZOBPZ-FPYGCLRLSA-N 371.061 5.408 0 50 FKAA Cc1cc(OCc2ccc(F)cc2Cl)c2c3c(c(=O)oc2c1)CCCC3 1152298 FGWKCWYHNDYFPS-UHFFFAOYSA-N 372.823 5.352 0 50 FKAA Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 1156648 AKQFTJSDGZYNQD-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 1199906 NZGYQRVQWFWEAH-UHFFFAOYSA-N 374.484 5.745 0 50 FKAA O=C(CCNc1ccc(OC(F)(F)Cl)cc1)c1cc2ccccc2o1 4708272 RGNNFOIDPOGOSK-UHFFFAOYSA-N 365.763 5.286 0 50 FKAA O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1ccc(Cl)cc1 18143755 HRBRAFNNFMXLQW-UHFFFAOYSA-N 363.869 6.000 0 50 FKAA N=c1c2c(-c3ccccc3)c(-c3ccccc3)oc2ncn1Cc1ccco1 100491138 XTOYWMZBOPJBBF-UHFFFAOYSA-N 367.408 5.084 0 50 FKAA CCCc1nc(-c2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2)co1 439008465 WDSLDQLOUDHODN-UHFFFAOYSA-N 371.849 5.325 0 50 FKAA FC(F)(F)Sc1cccc(-c2cccn3nc(C(F)(F)F)nc23)c1 1875318226 KTXAMAYPRCNGRS-UHFFFAOYSA-N 363.286 5.027 0 50 FKAA CCC[C@H](CC1CCCC1)C(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 2325817635 IYBHCNIKXPIWNF-NOZRDPDXSA-N 367.577 6.068 0 50 FKAA Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1Br 634160 YPSGIZNYWPOABO-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA CCC(=O)N(c1cccc(F)c1)c1nc(-c2ccc(C)cc2)c(C)s1 1141077 OETBYNPLXZAKHV-UHFFFAOYSA-N 354.450 5.641 0 50 FKAA Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1 1169072 LGNSFYZVRZZDGK-UHFFFAOYSA-N 364.832 5.153 0 50 FKAA O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N1CCCCCC1 1200478 JBLJCHVERJYOLR-UHFFFAOYSA-N 370.905 5.633 0 50 FKAA CCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc12 2578179 OSWJTHJTZDJLOK-UHFFFAOYSA-N 363.457 5.566 0 50 FKAA CC(=O)N(Cc1ccccc1)c1ccc(-c2nc3ccc(C)cc3s2)cc1 2835457 JEYVOOZEZVXDPJ-UHFFFAOYSA-N 372.493 5.825 0 50 FKAA C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 2996304 PEFVJUJUUZCTIU-ZDUSSCGKSA-N 354.833 5.465 0 50 FKAA CCCCC(=O)Nc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 5064255 VMWHHVYPSQVMBQ-UHFFFAOYSA-N 368.521 5.360 0 50 FKAA COc1ccccc1[C@@H]1CCCN1Cc1nc(-c2ccccc2C)oc1C 12431204 NUXRTNHGMSWESH-NRFANRHFSA-N 362.473 5.304 0 50 FKAA Cc1cc2cc(Nc3ccnc(Nc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1 114703956 SYWHWWKOIJCMKF-UHFFFAOYSA-N 368.444 5.543 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](C(C)=O)[C@@H](C)C[C@@H]4[C@H]3CC[C@H]2C1 257349662 PZCXJZFJUJOEBZ-YXDRQALQSA-N 372.549 5.332 0 50 FKAA CC[C@@H]1SC2(CCCCC2)N(c2ccc(Oc3ccccc3)cc2)C1=O 1875281501 DWVBRZKGBAAARF-FQEVSTJZSA-N 367.514 5.998 0 50 FKAA O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc(-c2ccccc2)c1 2325848189 BGGHOSMMNYGMAK-UHFFFAOYSA-N 357.240 6.304 0 50 FKAA CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 724539 RCFWKVCVSHOHPO-OAHLLOKOSA-N 370.518 5.114 0 50 FKAA Cc1ccccc1Nc1nc([C@@]2(C)C[C@@H](CCC(C)C)C(=O)O2)cs1 819878 WGRJUOXIPVHBJJ-FOIQADDNSA-N 358.507 5.410 0 50 FKAA CC(C)C(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 1073283 QRAHMYPLSMWGHN-UHFFFAOYSA-N 356.263 5.291 0 50 FKAA CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 1080698 RLOSDYPJBDWGEH-IBGZPJMESA-N 372.512 5.613 0 50 FKAA Cc1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1 1156127 FBJZAQSBDQXGRL-UHFFFAOYSA-N 362.860 5.625 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2ccccc2n1 1206730 CXKUORFQTGMQPQ-UHFFFAOYSA-N 350.727 5.159 0 50 FKAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(Cl)cc1F 2774446 PXMFSHKBZISCOD-UHFFFAOYSA-N 356.224 5.239 0 50 FKAA COc1ccc(CNCC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4027070 HBNBFAARFWTUME-GMAHTHKFSA-N 367.533 5.164 0 50 FKAA biogenic O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)N1CCCc2ccccc21 4664050 GEXGERABPUWAHL-UHFFFAOYSA-N 361.485 5.340 0 50 FKAA Cc1ccccc1[C@H]1CCCN1Cc1cnc2c(-c3ccccc3)cnn2c1 67757509 LKNWPKPFHKYCOE-HSZRJFAPSA-N 368.484 5.042 0 50 FKAA CCC[C@H]1CC[C@H](C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 248204846 AJQMFUYBFQQAKA-POSCCBCBSA-N 368.483 7.466 0 50 FKAA CCCCN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2OC)cc1 299798357 RDXRLRDPUCPRPZ-UHFFFAOYSA-N 374.484 5.200 0 50 FKAA CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 1857513872 CRRKVZVYZQXICQ-NQNIXMJNSA-N 358.522 5.086 0 50 FKAA biogenic Cc1ccccc1[C@H](CC(C)C)NC[C@H](CO)Cc1ccccc1Cl 2325842254 SFQXKESOTINGDY-GCJKJVERSA-N 359.941 5.176 0 50 FKAA COc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1OC 1158033 HFGNIDNKDQDTGT-UHFFFAOYSA-N 368.483 5.551 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 1167929 MMAMQNAMGSAMQW-UHFFFAOYSA-N 371.440 5.440 0 50 FKAA C[P@@](=O)(Nc1ccc(SC(F)(F)F)cc1)Oc1ccc(F)cc1 1231937 LZKHUFINRJNQJS-QFIPXVFZSA-N 365.288 5.751 0 50 FKAA CCCCc1c(-c2cccs2)sc(-c2cccs2)c1CCCC 2519528 QTYUVJQQHLIDNI-UHFFFAOYSA-N 360.613 7.890 0 50 FKAA O=C(CCCOc1ccc(Cl)c(Cl)c1)Nc1cccc2ccccc12 2766171 FUXDSNUVNMFVTP-UHFFFAOYSA-N 374.267 5.944 0 50 FKAA Fc1cccc(Cl)c1Cn1c(-c2ccccc2)nnc1-c1ccccc1 2867266 MQGSYHYMSNYZJM-UHFFFAOYSA-N 363.823 5.453 0 50 FKAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)cc1 25781706 NXOQQTKBXDGCHE-ISKFKSNPSA-N 370.452 5.246 0 50 FKAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1 95372154 LLDBAUVSRISIKS-SFHVURJKSA-N 362.477 5.029 0 50 FKAA COCCC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 96151103 WXUKYGDEEGVVHG-SFHVURJKSA-N 368.477 5.149 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@@H]3CC[C@]12C 257350112 UTGYMZAUDAYPOM-LWEHDTGCSA-N 370.665 8.274 0 50 FKAA CCC(CC)n1nccc1C(=O)N1c2ccccc2C=Cc2ccccc21 1875343503 LGFGYVJGQFFOAJ-UHFFFAOYSA-N 357.457 5.707 0 50 FKAA O=C(Nc1ccc(Cl)cn1)[C@H](Sc1ccccc1)c1ccccc1 985095 DRWCRXFXAAFNAA-GOSISDBHSA-N 354.862 5.207 0 50 FKAA COc1cccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 1215930 KQEPIVHFFLYXAV-UHFFFAOYSA-N 353.425 5.563 0 50 FKAA O=C(/C=C/c1ccco1)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O 1801635 FHGGCCOPWFGFCC-BQYQJAHWSA-N 373.817 5.012 0 50 FKAA Cc1ccc(C)c(NC(=O)Oc2ccc(-c3ccccc3)cc2Cl)c1 2143152 UFKLGLQDZYGUQS-UHFFFAOYSA-N 351.833 6.235 0 50 FKAA CCn1c2ccccc2c2cc(CN[C@H]3CCCc4ccccc43)ccc21 2466149 PUQGENRBXGZWDZ-QHCPKHFHSA-N 354.497 5.982 0 50 FKAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)cc1 2812932 XFXHJCIGMABHRN-UHFFFAOYSA-N 365.191 5.348 0 50 FKAA O=C(CSc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 2878065 LWZBXFANKDNKBM-UHFFFAOYSA-N 364.656 5.517 0 50 FKAA CCC[C@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN21 25760557 BKDGODYPOAQQBG-CTNGQTDRSA-N 370.880 5.408 0 50 FKAA CCCCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 822875582 XOADXTRWQHTEPX-UHFFFAOYSA-N 366.486 5.145 0 50 FKAA CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 727761 RRTWHRXNWXRTTI-UHFFFAOYSA-N 372.424 5.454 0 50 FKAA Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)c1C 820912 XMEGHIMAFGUDGU-UHFFFAOYSA-N 361.397 5.046 0 50 FKAA COc1ccc([C@@H](CC(=O)c2ccc(C)cc2)Nc2ccc(F)cc2)cc1 1050644 OLSZXXIBEVPVQY-JOCHJYFZSA-N 363.432 5.569 0 50 FKAA O=C(COc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 1116629 FSVWIHOSSOIZKR-UHFFFAOYSA-N 360.034 5.018 0 50 FKAA CC(C)(C)c1ccc(-c2nc3scc(-c4cccs4)c3c(=O)o2)cc1 2288329 NJCFZFDGUHGDPJ-UHFFFAOYSA-N 367.495 5.943 0 50 FKAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccs1 2979099 VOWDNDXMDDZLOJ-UHFFFAOYSA-N 350.468 5.586 0 50 FKAA OC(CSCc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 3128211 VRODLZFSGGGUSH-UHFFFAOYSA-N 354.902 5.509 0 50 FKAA O=C(NCCC(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4614311 SLJMIVOMFMESLO-UHFFFAOYSA-N 373.540 5.541 0 50 FKAA C/C=C/c1ccc(OCCCCOc2cccc3cccnc23)c(OC)c1 4701942 BPKDNOARALXMGM-FPYGCLRLSA-N 363.457 5.515 0 50 FKAA COc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 4810735 NHNZVUNXGBBQGB-UHFFFAOYSA-N 367.832 5.322 0 50 FKAA FC(F)(F)c1cc(C23CC4CC(CC(C4)C2)C3)nc2onc(C3CC3)c12 20605774 NQLHYBOUOSOVTN-UHFFFAOYSA-N 362.395 5.587 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO 96300365 XOYVLIGJHWVUFH-DZUHFYEBSA-N 359.554 5.405 0 50 FKAA in-vitro COc1cccc(C2=NN3[C@H](c4ccccc4C)Oc4ccccc4[C@H]3C2)c1 248124877 ZVDHPVGJVCEQRS-VWNXMTODSA-N 370.452 5.246 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 253612226 CRRKVZVYZQXICQ-OYIIHGHGSA-N 358.522 5.086 0 50 FKAA CC[C@H](NC[C@H](O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 746048317 FHDDRDSFBCUDMR-IRXDYDNUSA-N 357.803 5.133 0 50 FKAA FC(F)(F)Oc1ccc(CCNCc2csc3ccccc23)cc1 1875309999 XYKIBOOVKMANBV-UHFFFAOYSA-N 351.393 5.132 0 50 FKAA COc1ccc([C@@H](CC(=O)C(C)(C)C)[C@@H]2CCc3ccccc3C2=O)cc1 641878 ZZYKBSGXGACMPA-LEWJYISDSA-N 364.485 5.229 0 50 FKAA CCc1ccc(OCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 1003126 IRZGGPKQLQGRMM-UHFFFAOYSA-N 359.469 5.697 0 50 FKAA CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C1CCCCC1 1107306 VXXPKVQXBVBOOH-UHFFFAOYSA-N 363.504 5.172 0 50 FKAA CC[C@H](C)c1ccccc1NC(=O)c1cc(Br)ccc1OC 1130696 LGUYKAHKDHSDGZ-LBPRGKRZSA-N 362.267 5.224 0 50 FKAA Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 1164890 MIFVPXRTBDSHFT-UHFFFAOYSA-N 372.424 5.129 0 50 FKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 1206551 MSQFPFLHKLFAJJ-JTQLQIEISA-N 370.699 5.222 0 50 FKAA Cc1sc(-c2cccs2)nc1OC(=O)c1cccc(C(F)(F)F)c1 1385752 QHCGSDDERAOLKZ-UHFFFAOYSA-N 369.389 5.418 0 50 FKAA CC(C)(C)c1ccc(-c2nc3scc(-c4ccccc4)c3c(=O)o2)cc1 1895558 YWWKZKTVVDOFPV-UHFFFAOYSA-N 361.466 5.881 0 50 FKAA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccccc1C(F)(F)F 2858056 SBVZCKIQSJLZDH-UHFFFAOYSA-N 366.383 5.656 0 50 FKAA CC(C)(C)c1ccc(C(=O)NCCSc2nc3ccccc3s2)cc1 2946983 QSPLFJBRFJQXDS-UHFFFAOYSA-N 370.543 5.116 0 50 FKAA Clc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1 4011650 FHUNKRCVTFCHMR-RBNVVWFDSA-N 358.872 6.361 0 50 FKAA C(=C/c1nc2ccccc2n1Cc1cccc2ccccc12)\c1ccco1 4136445 NHDDCDXBZTYQPG-CCEZHUSRSA-N 350.421 6.001 0 50 FKAA Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](C1CCCCC1)O2 4853970 LCGGUXZFRVKMTP-IFMALSPDSA-N 366.892 5.790 0 50 FKAA Cc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)o1 12244018 NNZUWYVTMUFIFP-INIZCTEOSA-N 355.869 5.011 0 50 FKAA Cc1ccsc1-c1nc(CN2CCC[C@@H]2c2ccc(F)cc2)c(C)o1 13593400 IEMDLVORLQYRJZ-GOSISDBHSA-N 356.466 5.496 0 50 FKAA Cc1ccnc(-c2cc(CCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1 59299501 KLTATORHZNMNDJ-UHFFFAOYSA-N 366.468 5.003 0 50 FKAA in-vitro CCCCOc1ccc(N[P@](C)(=O)Oc2ccc(Cl)cc2)cc1 100315643 UWUZQCCVIRHUCO-HSZRJFAPSA-N 353.786 5.833 0 50 FKAA CCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 245189228 CVZSOYGGKIMZOB-KESTWPANSA-N 350.502 6.542 0 50 FKAA O=C(Nc1scnc1C1CC1)[C@@]1(Cc2ccccc2)CCc2ccccc21 1875338052 MQMSGUZNXIYUAF-HSZRJFAPSA-N 374.509 5.086 0 50 FKAA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1Br 640959 JNJSBZLNMDZEQE-UHFFFAOYSA-N 360.295 5.948 0 50 FKAA COc1ccc(NC(=O)Oc2cc(C)c(Cl)cc2C(C)C)c(Cl)c1 641558 GLHMTOFUFYRIDZ-UHFFFAOYSA-N 368.260 6.045 0 50 FKAA CC[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 657397 DYHRYEWWOAKPFF-HNNXBMFYSA-N 358.652 5.443 0 50 FKAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc(Cl)c1Cl 677538 GDPJQCPHIWOVLO-RDDDGLTNSA-N 353.076 5.523 0 50 FKAA CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)O)c2)cc(C(C)(C)C)c1 754680 DSVNJLOJOGHYJT-UHFFFAOYSA-N 353.462 5.232 0 50 FKAA O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc(Cl)c1 991238 YNBSBZRVGGNTNJ-UHFFFAOYSA-N 360.800 5.169 0 50 FKAA C[C@@H](C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 1135605 NBWJXZDLMJRBGM-SNVBAGLBSA-N 372.184 5.210 0 50 FKAA Cc1cc(SCc2ccccc2Cl)n2ncc(-c3ccccc3)c2n1 2224614 KRDZKNIXOUIHCD-UHFFFAOYSA-N 365.889 5.650 0 50 FKAA O=C(Nc1nnc(-c2ccccc2)s1)c1sc2ccccc2c1Cl 2762885 YZVNVNUMQOTWCV-UHFFFAOYSA-N 371.874 5.326 0 50 FKAA O=C(Nc1ccccc1)N(Cc1cccc(Cl)c1)C[C@H]1CC=CCC1 2769569 YJFSCXWPZIIMSR-KRWDZBQOSA-N 354.881 5.730 0 50 FKAA C[C@H]1CCc2nc(NC(=O)Nc3ccc(Cl)cc3Cl)sc2C1 2852451 UCLBMZSMHUHONW-QMMMGPOBSA-N 356.278 5.219 0 50 FKAA COc1cccc([C@@H](C)NC(=S)Nc2cccc(Cl)c2Cl)c1 2853090 NLFBKXHDUMJDOT-SNVBAGLBSA-N 355.290 5.050 0 50 FKAA CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2F)cc1Cl 2853128 DOSBQRLTCQIEDT-UHFFFAOYSA-N 356.224 5.564 0 50 FKAA CSc1ccc(Cl)c(C(=O)Nc2ccccc2Br)c1 4543193 ARKAJFMICHHPRI-UHFFFAOYSA-N 356.672 5.077 0 50 FKAA O=C(Nc1nnc(C2CCCCC2)s1)c1c(Cl)cccc1Cl 4558822 KETFFGYOVFBHSX-UHFFFAOYSA-N 356.278 5.145 0 50 FKAA Cc1ccc(C)c(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1 6965517 CBPMGPVHZBOROX-UHFFFAOYSA-N 370.909 5.011 0 50 FKAA O=C(O)c1cc(Sc2c(Cl)cccc2Cl)nc2ccccc12 32919746 CGGSFLCKIJOGAK-UHFFFAOYSA-N 350.226 5.391 0 50 FKAA Nc1ccc(-c2cc(-c3ccc(N)cc3)cc(-c3ccc(N)cc3)c2)cc1 38844043 QHQSCKLPDVSEBJ-UHFFFAOYSA-N 351.453 5.434 0 50 FKAA in-vitro COc1ccc(CN2CCCC2)cc1Oc1cccc(C(F)(F)F)c1 67679111 KLBMRXWFLWVYRR-UHFFFAOYSA-N 351.368 5.102 0 50 FKAA CCCCCC[C@H](C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169818748 MKPYVFPESLINBV-QHCPKHFHSA-N 372.628 5.517 0 50 FKAA c1cc(CNC2CCC3(CC2)OCc2ccccc23)cc(CC2CCC2)c1 2325842145 PPGNNFDGDPFJMH-UHFFFAOYSA-N 361.529 5.487 0 50 FKAA O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc(Br)cc1 1131398 KXBIUHJXTWXSOK-GOSISDBHSA-N 358.279 5.110 0 50 FKAA Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 1172682 OBZDHONTXQDQPW-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1cs/c(=N\c2ccc(C(C)(C)C)cc2)n1C(=O)c1cccs1 2532421 DLJLGQUXQALDSS-ZZEZOPTASA-N 356.516 5.138 0 50 FKAA CN(Cc1ccccc1)C1CCN(C2CCC(c3ccccc3)CC2)CC1 4745613 SCFDDRIDDNIBEB-UHFFFAOYSA-N 362.561 5.309 0 50 FKAA C[C@@H](c1ccc(Cl)cc1)n1c(S)nnc1-c1cccc(Cl)c1 8816136 VFOAKPMZNGMKCN-JTQLQIEISA-N 350.274 5.150 0 50 FKAA CC[C@H](C)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 13329977 ULBJPECXFVLLMG-STQMWFEESA-N 365.304 6.390 0 50 FKAA C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 16949092 KVYUHOPVUTYJPS-BMZZKGLRSA-N 361.460 5.125 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c21 64858568 OHAPOWHHSCCXIL-UHFFFAOYSA-N 357.453 5.921 0 50 FKAA in-vitro O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 225406395 KLPRTZBSMHIVOM-ARAZSQDJSA-N 357.460 5.172 0 50 FKAA O=C(NC1CCCC1)[C@H](Sc1ccc2ccccc2n1)c1ccccc1 334163474 UFSBVSPCFSGYMW-OAQYLSRUSA-N 362.498 5.127 0 50 FKAA COCCN(Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@H]1CC[C@@H](C)C1 1875356903 RBMKUZUQUUVEQC-CVEARBPZSA-N 364.599 5.030 0 50 FKAA O=C(Nc1ccc(Br)cc1)c1cccc2c1-c1ccccc1C2 632892 PEWUATYHDRTBQF-UHFFFAOYSA-N 364.242 5.273 0 50 FKAA O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3F)[C@@H]12 841635 ZZVXVMRMJNDKKA-KNQAVFIVSA-N 359.425 5.606 0 50 FKAA CCCCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc12 1768064 JWJZRDHMAGMSEP-UHFFFAOYSA-N 365.480 6.423 0 50 FKAA CCOc1ccccc1NC(=S)Nc1ccccc1Oc1ccccc1 2851896 YMEWKURBXRPXTC-UHFFFAOYSA-N 364.470 5.687 0 50 FKAA CCOc1ccc(Br)c(/C=C/c2ccc3ccccc3n2)c1 5077473 FKNQVWADEIQWIE-CSKARUKUSA-N 354.247 5.566 0 50 FKAA CC(C)COc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1 5908028 WTPJSXWDSCIDFQ-UHFFFAOYSA-N 355.821 5.288 0 50 FKAA Cc1ccc(-c2ccccc2CN[C@@H](C)c2cnn(-c3ccccc3)c2C)o1 12459157 OYDBGGNDSNPHAG-SFHVURJKSA-N 371.484 5.600 0 50 FKAA Cc1ccc2c(CN(Cc3ccccc3)Cc3ccccc3)cc(=O)oc2c1 20446889 OXNOQUFBLRVQSY-UHFFFAOYSA-N 369.464 5.304 0 50 FKAA Fc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1F 84847003 MQRBSGAEAXGOMJ-UHFFFAOYSA-N 352.203 5.518 0 50 FKAA C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257350602 YRMMDRYFJOUBOL-BFMBXUBNSA-N 360.582 5.335 0 50 FKAA Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1C 1068397 GMHFLIWBKFVZFR-UHFFFAOYSA-N 353.425 5.166 0 50 FKAA Cc1cc2nc(-c3ccc(C)c(NC(=O)Cc4ccccc4)c3)oc2cc1C 1212563 VVJRQNCPTGTWFS-UHFFFAOYSA-N 370.452 5.601 0 50 FKAA Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2840899 MBCOIKGFNIQHCQ-UHFFFAOYSA-N 371.889 5.044 0 50 FKAA CCCCCC[C@@H](C)Nc1ccc(NCCCCCCCOCC)cc1 4552260 IXJYMSUFNJZQCP-OAQYLSRUSA-N 362.602 6.856 0 50 FKAA CCC[C@@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN21 6870971 GQNDDTQIWUTRIB-AZUAARDMSA-N 358.844 5.539 0 50 FKAA CCc1ccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 13331470 XHXTUTVHDPOJQX-UHFFFAOYSA-N 362.477 5.063 0 50 FKAA CC(C)c1ccccc1NC(=O)CCC(=O)Nc1ccccc1C(C)C 695722 VCDGCPJXMRATEN-UHFFFAOYSA-N 352.478 5.291 0 50 FKAA O=C(O)c1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 754491 FYSQFPTUKDSCLG-UHFFFAOYSA-N 365.241 5.559 0 50 FKAA CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 951030 LJTJPVCWKMDDIX-ONNFQVAWSA-N 350.245 5.433 0 50 FKAA Cc1ccc(C)c(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c1 1049445 SAWRJVQETHQNMF-UHFFFAOYSA-N 365.498 5.007 0 50 FKAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1C[C@@H]1c1ccccc1 1113844 UQMKOYGWURFPAN-CVEARBPZSA-N 354.862 5.206 0 50 FKAA CCc1ccc(-c2cc(C(=O)N3CCCC3)c3ccc(C)c(C)c3n2)cc1 1459203 RQSKKQDQYIQXRX-UHFFFAOYSA-N 358.485 5.317 0 50 FKAA ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 1530821 QBYJBZPUGVGKQQ-DIFDVCDBSA-N 364.914 5.270 0 50 FKAA CCCCCOc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1803577 DPEJTULPAJMWCZ-UHFFFAOYSA-N 367.276 6.206 0 50 FKAA Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccncc1 2767810 MHBMNCFETFBSPG-UHFFFAOYSA-N 373.843 5.511 0 50 FKAA O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2c3c(cccc13)CC2 5065527 ACVGXVHDHVVVCK-UHFFFAOYSA-N 359.322 5.349 0 50 FKAA CCc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12 6395204 PAWOVGNZRQGNIT-UHFFFAOYSA-N 367.452 5.420 0 50 FKAA CC[C@H](C)c1ccc([C@@H](CC)NC(=S)NCc2ccc(F)cc2)cc1 7080320 HJNHYGKELPSCMC-MGPUTAFESA-N 358.526 5.455 0 50 FKAA CCCC(=O)N1c2ccc(OC)cc2-c2c(ssc2=S)C1(C)C 638696 HQDYAGWWZKEIKK-UHFFFAOYSA-N 365.545 5.596 0 50 FKAA CCc1ccc2oc(-c3cccc(NC(=O)Cc4ccccc4)c3)nc2c1 989718 FCDRWMIZTMJRBC-UHFFFAOYSA-N 356.425 5.238 0 50 FKAA CCCN(CCC)C(=O)C[C@H](c1ccccc1)c1ccc(OC(C)C)cc1 1072567 GMAGIRQJBVVHDZ-HSZRJFAPSA-N 367.533 5.644 0 50 FKAA biogenic Cc1ccc2c(c1)-c1c(sn(-c3ccc(C)c(C)c3)c1=S)C(C)(C)N2 1770936 DQFNIIJNXMHQMZ-UHFFFAOYSA-N 366.555 6.521 0 50 FKAA O=C(CCCCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 1855551 LXMBVMKKKLUBFC-UHFFFAOYSA-N 365.260 5.131 0 50 FKAA C[C@H](NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 2096167 CJNRLRQFUWGYEX-ZDUSSCGKSA-N 352.261 5.030 0 50 FKAA CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2Cc2ccccc2)CO1 2255258 CAPYNQCQUNADKO-UHFFFAOYSA-N 362.498 5.179 0 50 FKAA CCCCCC(=O)N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl 3153140 BQMKWBXZPDFSOO-ZDUSSCGKSA-N 372.123 5.145 0 50 FKAA CCn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 3876589 XFMVJRHOAZGVGY-OQKWZONESA-N 368.436 5.411 0 50 FKAA O=C(N/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccccc1 3877318 RVOAULNPGMOTQQ-XSFVSMFZSA-N 373.843 5.144 0 50 FKAA CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C[C@H](CC)CCCC 4521904 BZUDVELGTZDOIG-SMIHKQSGSA-N 353.679 7.938 0 50 FKAA in-vitro COc1cc(NC(=O)N2CCCCC[C@H]2c2cccc(C)c2)cc(OC)c1 35561757 LSCKZNUOIIKSPX-NRFANRHFSA-N 368.477 5.161 0 50 FKAA FC(F)(F)c1ccccc1Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1 67786419 YEMNEWWJUJHBAB-UHFFFAOYSA-N 368.362 5.007 0 50 FKAA c1ccc2[nH]c([C@H]3CCCN3Cc3cnc(C4CCCC4)s3)nc2c1 170606891 ZSAXQWGUIACCSQ-GOSISDBHSA-N 352.507 5.014 0 50 FKAA Cc1cnc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc1C 328896612 CEOICZUNHLXKDI-GOSISDBHSA-N 362.477 5.213 0 50 FKAA O=c1oc2ccccc2cc1-c1csc(Nc2ccc(Cl)cc2)n1 955931 DEMZRVAICQRBQB-UHFFFAOYSA-N 354.818 5.314 0 50 FKAA Cc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 1175321 SNNRTHCYTHHGOJ-UHFFFAOYSA-N 353.347 5.415 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)c3ccccc3n2)cc1 1200579 NGVYXEAQLZWFGP-UHFFFAOYSA-N 366.464 6.025 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 1778163 NMQTUUKXPUQRIM-JXMROGBWSA-N 359.853 5.098 0 50 FKAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2549320 VYAQWNLEAJCENJ-LICLKQGHSA-N 373.452 5.920 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO 3981490 CUJUUWXZAQHCNC-DOFZRALJSA-N 364.570 5.502 0 50 FKAA endogenous,in-man Oc1cccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1Cl 4978742 ZEQTYNQTJQBAKI-UHFFFAOYSA-N 372.855 6.188 0 50 FKAA FC(F)(F)c1cc(Br)c(C(F)(F)F)cc1Br 138042460 ZEVVDSRCWJRHSX-UHFFFAOYSA-N 371.900 5.249 0 50 FKAA CCCC[Sn](CCCC)(CCCC)c1cncs1 169743822 GOWNSHUNTJWVOM-UHFFFAOYSA-N 374.182 5.199 0 50 FKAA COC(=O)C[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 253610267 JCEJAUVYYGKDSZ-JRBLDTLOSA-N 360.582 6.235 0 50 FKAA C[C@@]12CCC[C@@H]1[C@H]1CC=C3C[C@@H](OC(=O)C(F)(F)F)CC[C@]3(C)[C@@H]1CC2 254752739 OGQQARADPATKJB-ADXOPFBHSA-N 370.455 5.813 0 50 FKAA Cc1ccc(-c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1 1875309627 FYRJPPAHVQDISL-UHFFFAOYSA-N 350.365 5.761 0 50 FKAA COc1ccccc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 677008 QDIOGOYZDAGMGF-UHFFFAOYSA-N 358.397 5.064 0 50 FKAA biogenic COCC(=O)Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 722124 LFSWLZJZDZIFBN-UHFFFAOYSA-N 360.624 5.024 0 50 FKAA COc1cc(C(C)=O)ccc1OC(=O)N(c1ccccc1)c1ccccc1 1130281 XIEQUKHPZOMAMN-UHFFFAOYSA-N 361.397 5.235 0 50 FKAA CC(C(=O)N1CC[C@H](c2ccccc2)C1)(c1ccccc1)c1ccccc1 1150505 FILZAPZENIYSJI-NRFANRHFSA-N 355.481 5.009 0 50 FKAA CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 1179203 MFSFFCSLSQXWSV-UHFFFAOYSA-N 370.453 5.286 0 50 FKAA Cc1ccc2c(Cl)c(C(=O)N3c4ccc(F)cc4CC[C@H]3C)sc2c1 2092721 NWDRUIOWNWJIET-GFCCVEGCSA-N 373.880 5.984 0 50 FKAA COc1c(Br)cc(Br)c2c1oc1ccccc12 4798815 XWAJBWKNAKWORK-UHFFFAOYSA-N 356.013 5.120 0 50 FKAA O=C(O)c1cc(-c2cccc(Br)c2)nc2ccc(Cl)cc12 6330695 UEYRXZBCYPCXSJ-UHFFFAOYSA-N 362.610 5.016 0 50 FKAA in-vitro CC(=O)c1ccc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)cc1 65383053 NBCXEMMWWOLQCU-UHFFFAOYSA-N 367.452 5.057 0 50 FKAA CCOC(=O)c1ccccc1N(C(=O)c1ccc(C)cc1)c1ccccc1 641901 QGCLKYRYWGRBHQ-UHFFFAOYSA-N 359.425 5.150 0 50 FKAA CCc1cccc(C)c1NC(=O)c1cc(-c2cccs2)nc2ccccc12 1112169 BTHJDVTYDDTTOF-UHFFFAOYSA-N 372.493 6.086 0 50 FKAA Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)ccc1Cl 1131279 DAEOWWUKQLMCNZ-LLVKDONJSA-N 357.759 5.073 0 50 FKAA Brc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 2992960 LLZYXCNVSGFZGD-UHFFFAOYSA-N 366.258 5.636 0 50 FKAA O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(Cl)cc1 4542125 WBSYOGAZAKTKKD-UHFFFAOYSA-N 365.043 5.318 0 50 FKAA Fc1ccc(-c2nn(-c3ccccc3Cl)c3c2cnc2ccccc23)cc1 8606947 YTOPEILPCODMSV-UHFFFAOYSA-N 373.818 6.033 0 50 FKAA Cc1ccc(C)c(-c2cn3c(C(=O)N4CCCCCCC4)csc3n2)c1 11663398 NQRYJLHFNFLQMM-UHFFFAOYSA-N 367.518 5.086 0 50 FKAA Clc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 55543622 LRPRLWUZCRIENI-UHFFFAOYSA-N 362.904 5.329 0 50 FKAA Cc1cccc2cc(C(=O)N(Cc3cccnc3)Cc3ccsc3)oc12 216249451 PRJCUYULHXUTJR-UHFFFAOYSA-N 362.454 5.040 0 50 FKAA CC(C)c1cnc(NC(=O)c2cccn2[C@H](C)Cc2ccccc2)s1 2325871225 CIVYDAKRUVIZKL-OAHLLOKOSA-N 353.491 5.124 0 50 FKAA COc1cccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)c1 822408 XJZQKCZTVTXULI-UHFFFAOYSA-N 354.500 5.604 0 50 FKAA CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1cccc(Cl)c1 1189157 ZYRVJNSXAOTXLI-CQSZACIVSA-N 372.896 6.063 0 50 FKAA Cc1oc2cc(-c3ccccc3)cc(-c3ccccc3)c2c1-c1ccccc1 5378254 DUBUNTLGNZAYHT-UHFFFAOYSA-N 360.456 7.742 0 50 FKAA CCc1ccc(-c2cc(C(=O)Nc3ccccn3)c3cc(C)ccc3n2)cc1 6283970 YMZQAZVYYFKBGM-UHFFFAOYSA-N 367.452 5.420 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21 43021179 IJNSZBAEVYRFCH-UHFFFAOYSA-N 371.480 6.224 0 50 FKAA in-vitro C1=C(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CCC1 55455760 VWWJKZASFNVJTI-RUZDIDTESA-N 368.524 6.102 0 50 FKAA biogenic C1CCC([Si](C2CCCCC2)(C2CCCCC2)C2CCCCC2)CC1 169818262 WBMDWTWRKMOVCT-UHFFFAOYSA-N 360.702 8.772 0 50 FKAA CC(=O)c1cccc(N=c2nc(-c3ccccc3)c3ccc(Cl)cc3[nH]2)c1 408525668 POZLGFRSXNMLNT-UHFFFAOYSA-N 373.843 5.318 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)c1ccccc1 640930 IVOQTLQEEJFVMX-UHFFFAOYSA-N 356.252 5.764 0 50 FKAA CCOc1ccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 3878410 ZFBICKNIUORNLV-UHFFFAOYSA-N 364.392 5.971 0 50 FKAA O=C(c1cc2cc3ccccc3nc2s1)c1ccc(Cl)cc1Cl 4053813 UVQGVFDOFFNDPS-UHFFFAOYSA-N 358.249 5.987 0 50 FKAA Cc1c(Cl)cccc1NC(=O)CCc1ccc(-c2cccc(Cl)c2)o1 4541866 RSBCPVMFNZFUPZ-UHFFFAOYSA-N 374.267 6.133 0 50 FKAA COc1ccc(CN(CCc2ccccc2)Cc2ccccc2)c(C)c1C 4987537 QEUWDDWQLQRTHU-UHFFFAOYSA-N 359.513 5.557 0 50 FKAA C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CC4(CC[C@@]3(C)[C@@H]1CC2)SCCS4 25544757 YNVILHLADMIWHU-VTYCOLDWSA-N 350.637 6.596 0 50 FKAA CCOc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(C)cc1 35561670 ZOBMEAUERAUKQT-FQEVSTJZSA-N 352.478 5.543 0 50 FKAA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO 96024565 IZUGLNJRCDBYKA-WMPRHZDHSA-N 373.581 5.797 0 50 FKAA in-vitro c1ccc2oc(C3CCN(Cc4ccc([C@@H]5CCCCO5)o4)CC3)nc2c1 820408713 CRRQTBHTIASNAG-FQEVSTJZSA-N 366.461 5.042 0 50 FKAA Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)c2c(c1)[C@H](C)CCN2 2325843135 WJCQNGCCXUKBTB-QGZVFWFLSA-N 371.484 5.910 0 50 FKAA O=C(Nc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 755498 QWTVMZKSYATBQE-UHFFFAOYSA-N 356.252 5.764 0 50 FKAA CCCC(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 873274 GLGZBZPOKQEEEM-UHFFFAOYSA-N 372.877 5.546 0 50 FKAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 1156179 SQCYROLEGLSTNI-UHFFFAOYSA-N 362.820 5.527 0 50 FKAA CCc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 1162845 SDQNNUAEYMCQME-UHFFFAOYSA-N 362.907 5.243 0 50 FKAA O=C(OCc1c(Cl)cccc1Cl)c1ccccc1Br 2845161 YYBXCKDIXVBEQM-UHFFFAOYSA-N 360.034 5.113 0 50 FKAA C[C@@H]1CC[C@H](C(C)(C)C)[C@H](OC(=O)CSc2nc3ccccc3[nH]2)C1 3832545 QOZAFYMLPRLTRP-JKIFEVAISA-N 360.523 5.049 0 50 FKAA Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12275974 QYNJLGCBYWQOCY-IRLDBZIGSA-N 360.844 5.582 0 50 FKAA CSc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19324281 VZJTZCWBTUHXGL-UHFFFAOYSA-N 374.553 5.425 0 50 FKAA CC(=O)[C@@H](C(=O)c1ccccc1)[C@H]1c2ccccc2Oc2ccc(F)cc21 36129761 CCDDWUZRKQKEPO-YADHBBJMSA-N 360.384 5.151 0 50 FKAA O=C(CCCc1ccc(Cl)cc1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 225766109 FAKNUHIUQYASSL-MRXNPFEDSA-N 373.846 5.244 0 50 FKAA Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1 944623 XBYZPGOSVASXMJ-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA Cc1cc(CSc2ccccc2)ccc1NC(=O)COc1ccccc1 1151033 MYTHNDKCZXMZFF-UHFFFAOYSA-N 363.482 5.305 0 50 FKAA COc1cc(Nc2nc(-c3ccc(F)cc3)cs2)c(OC)cc1Cl 1194514 MCVPJQDGLGNBSZ-UHFFFAOYSA-N 364.829 5.363 0 50 FKAA COc1ccc(Cl)cc1NC(=O)C1c2ccccc2Oc2ccccc21 2311022 ABXAUCPSLYALGE-UHFFFAOYSA-N 365.816 5.225 0 50 FKAA CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1 2836350 JKOLDOFOLMBOEH-CQSZACIVSA-N 362.907 5.459 0 50 FKAA C[C@@H]1CCCCN1c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 4541718 XWCLYCDJGCFHSQ-GOSISDBHSA-N 358.529 6.578 0 50 FKAA O=C(Nc1ccc(F)c(Cl)c1)[C@H](Sc1ccccc1)c1ccccc1 4616937 QPQKIDJJQKCIME-LJQANCHMSA-N 371.864 5.951 0 50 FKAA COc1ccccc1[C@@H]1CCN(Cc2ccc(C)o2)c2ccccc2S1 11912392 DEDVRFZNWVYFDJ-NRFANRHFSA-N 365.498 5.840 0 50 FKAA Cc1cc(C)cc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 19832606 FJWFJVFCDOKDIY-UHFFFAOYSA-N 370.496 5.114 0 50 FKAA O=C(Nc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 118416140 HKRMPJVDMMMYOC-UHFFFAOYSA-N 361.426 5.313 0 50 FKAA Cc1cccc(NC(=O)N[C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)c1 1875317678 HTCRXPXHSLHFNB-IRLDBZIGSA-N 358.441 5.382 0 50 FKAA C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(CCc4ccccc4)[nH]3)c21 1875343456 JPCCHTDWVBLRSC-KRWDZBQOSA-N 372.512 5.837 0 50 FKAA CCCCc1oc2ccccc2c1C(=O)N(C)CCCCN1CCCCC1 2325862657 BQXLMFXSTONWSV-UHFFFAOYSA-N 370.537 5.114 0 50 FKAA COC(=O)c1ccccc1N(C(=O)c1ccc(Cl)cc1)c1ccccc1 641900 XONUNXDNGFDHSL-UHFFFAOYSA-N 365.816 5.105 0 50 FKAA COc1ccc(NCc2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 664478 KXCAUCFFFZHFPH-UHFFFAOYSA-N 367.420 5.034 0 50 FKAA O=C1C[C@@H](c2cccs2)SC(N(c2ccccc2)c2ccccc2)=N1 952739 VLYVSEKFUBXSFK-SFHVURJKSA-N 364.495 5.647 0 50 FKAA Cc1cc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3)oc2cc1C 989717 JQTQLTCBGLGGDD-UHFFFAOYSA-N 356.425 5.293 0 50 FKAA Cc1cc(C)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 1118243 ARGQDHMRVJTNKL-UHFFFAOYSA-N 362.395 5.175 0 50 FKAA CCc1cc(-c2n[nH]cc2Oc2ccc(-c3ccccc3)cc2)c(O)cc1O 1155702 HDZVYVXXPKLNTH-UHFFFAOYSA-N 372.424 5.510 0 50 FKAA O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1F 1191805 XDGPOFKERCEVHN-UKTHLTGXSA-N 357.793 5.038 0 50 FKAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1218714 KWEVFOSXHWKMKS-UHFFFAOYSA-N 367.367 5.035 0 50 FKAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccc(F)cc1 1797502 AUZNWKVZIKJUEQ-UHFFFAOYSA-N 374.411 5.741 0 50 FKAA O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(-c2ccccc2)cc1 1807861 CJLZHOSBYMLBPN-UHFFFAOYSA-N 373.235 5.645 0 50 FKAA CC(C)=C[C@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C 2005534 SBNFWQZLDJGRLK-SFTDATJTSA-N 350.458 5.761 0 50 FKAA biogenic,world Cc1c(C)c2ccc(OCc3c(Cl)cccc3Cl)c(C)c2oc1=O 2277671 PZIPUTZSOKCYAN-UHFFFAOYSA-N 363.240 5.604 0 50 FKAA CCCOc1ccc(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1 2939698 KIJPLTILLGEOAO-UHFFFAOYSA-N 357.413 5.254 0 50 FKAA Cc1ccc(-n2c(/C=C\c3ccccc3Cl)nc3ccccc3c2=O)cc1 4724802 NHNURXAJIAAEKE-QINSGFPZSA-N 372.855 5.518 0 50 FKAA CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 4842463 WIMFHWUWFOJSPH-UHFFFAOYSA-N 358.441 5.062 0 50 FKAA CC[C@H]1CC[C@H](C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 248167172 PBIFTROFCZATFC-MJYONLJCSA-N 354.456 7.075 0 50 FKAA O[C@H](COc1ccccc1-c1nc2ccccc2s1)c1cccc(F)c1 755250778 UEHWRUKFQFZEPJ-GOSISDBHSA-N 365.429 5.215 0 50 FKAA Cc1ccc(-c2csc3ncnc(-n4nnc5cc(C)c(C)cc54)c23)cc1 632139 SPAFRKUTAAGTDN-UHFFFAOYSA-N 371.469 5.017 0 50 FKAA O=C(Nc1ccccc1)c1sc(-c2ccccc2)nc1-c1ccccc1 786515 KYLREEUTHHLYCP-UHFFFAOYSA-N 356.450 5.729 0 50 FKAA Cc1cc(Cl)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 946443 TZEBXUSNMMILLF-UHFFFAOYSA-N 359.897 5.913 0 50 FKAA CCOc1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 1054683 FUZCPIJUECOBTP-WLXPTCNVSA-N 369.464 5.321 0 50 FKAA Cc1c(Cl)ccc2c(C(=O)Nc3ccccc3)cc(-c3ccncc3)nc12 1073750 UGRAMPMVRBBMQE-UHFFFAOYSA-N 373.843 5.511 0 50 FKAA COc1cc(CNc2ccccc2Cl)ccc1OCc1ccccc1 1229426 IAJDLAMJFZJTKF-UHFFFAOYSA-N 353.849 5.540 0 50 FKAA Cn1nc(-c2ccccc2)c(C=O)c1Sc1ccc(C(C)(C)C)cc1 2571591 IOVHGPWIPFSMAF-UHFFFAOYSA-N 350.487 5.348 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3ccccc3n2)o1 2763660 CAVSENORNPYRMY-UHFFFAOYSA-N 364.351 5.334 0 50 FKAA Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 4282004 IPFAHQMMJIBHEM-RXVVDRJESA-N 364.832 5.484 0 50 FKAA CC[n+]1c(C)n(-c2ccccc2)c2ccc([C@H]3Nc4ccccc4S3)cc21 4713934 APLMMTJFHJNRJJ-QHCPKHFHSA-N 372.517 5.463 0 50 FKAA Cc1ccc(C)c(-c2cc(C(=O)N3CCCCC3)c3cccc(C)c3n2)c1 5927923 DQORCVTVSPCNDF-UHFFFAOYSA-N 358.485 5.453 0 50 FKAA CCOc1ccccc1-c1nc(CN(C)[C@@H](C)c2cccs2)c(C)o1 12471266 BWDOMUZRJAFSFM-AWEZNQCLSA-N 356.491 5.303 0 50 FKAA COc1cc2nccc(Nc3cccc(Oc4ccccc4)c3)c2cc1OC 45192921 LEEMRFWMAIVHQY-UHFFFAOYSA-N 372.424 5.788 0 50 FKAA Brc1ccc2c(C3=CCN(Cc4ccccc4)CC3)c[nH]c2c1 169677334 QQRHOHREGPLUKV-UHFFFAOYSA-N 367.290 5.220 0 50 FKAA Cc1ccccc1C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 1875303560 DIVMZPSPQJBSGZ-UHFFFAOYSA-N 364.257 5.073 0 50 FKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OC)c(F)c3F)CC2)CC1 2088624158 FRGPBGWMABUJNC-OPMHRUBESA-N 350.493 6.854 0 50 FKAA c1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 915379 SSZGXGUFAAHHAF-UHFFFAOYSA-N 373.481 5.139 0 50 FKAA O=C(c1ccc(Br)o1)N1c2ccccc2Sc2ccccc21 990493 HQONWQAUEKCKCL-UHFFFAOYSA-N 372.243 5.485 0 50 FKAA CCOC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 1125473 RDZLEJWQJYUOPX-UHFFFAOYSA-N 374.440 5.026 0 50 FKAA COC(=O)c1ccccc1C(=O)c1ccc2c(c1)-c1cccc3cccc-2c13 2187111 FBMLCWFBNPOTJT-UHFFFAOYSA-N 364.400 5.505 0 50 FKAA Cc1ccc2c(Cl)c(C(=O)N[C@H]3CCCc4ccccc43)sc2c1 2763046 PEKADAVPHONCAA-INIZCTEOSA-N 355.890 5.671 0 50 FKAA O=C(N[C@@H]1CCCc2ccccc21)C1c2ccccc2Oc2ccccc21 2772552 KHADVELYBXHPFC-HXUWFJFHSA-N 355.437 5.118 0 50 FKAA Cc1ccccc1SCc1c(C(=O)c2ccccc2)oc2ccccc12 3133644 MLFBHZITZKOWFS-UHFFFAOYSA-N 358.462 6.265 0 50 FKAA CC[C@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)c1cc(C)ccc1C 4809935 UKFYCVVFOGFBMP-BJKOFHAPSA-N 373.496 5.367 0 50 FKAA O=C(Nc1cccc2ccccc12)c1sc2cc(Cl)ccc2c1Cl 4832752 WHARFQYXNVUTTR-UHFFFAOYSA-N 372.276 6.614 0 50 FKAA CCOC(=O)c1c(-c2cc(Cl)ccc2Cl)csc1-n1cccc1 12404924 UDEUKWJJUZVYHF-UHFFFAOYSA-N 366.269 5.689 0 50 FKAA CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3)nc21 20603575 SQUUSJHWOSOZSV-SNVBAGLBSA-N 361.417 5.030 0 50 FKAA C[C@@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1C1CCOCC1 65381112 JCAKHILZHDPQEP-SFHVURJKSA-N 370.537 5.021 0 50 FKAA Cc1cccnc1[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 91859302 KOKMHNIKIMEVAZ-FQEVSTJZSA-N 366.848 5.185 0 50 FKAA Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](CC(C)C)CC(=O)O2 253411815 PEBNPSNRXDYVLT-INIZCTEOSA-N 362.425 5.207 0 50 FKAA biogenic O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1Cl 934370 IIYZLCAYLCUSNP-UHFFFAOYSA-N 364.857 5.869 0 50 FKAA CCc1ccccc1NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 995318 UXMPZPUSCDNXLP-UHFFFAOYSA-N 372.493 6.086 0 50 FKAA Cc1ccc(NC(=S)c2ccc3ccccc3n2)c(Br)c1 1165605 WOGVWHLGWBJYFV-UHFFFAOYSA-N 357.276 5.093 0 50 FKAA CCCSc1nc(SCCC)c2c3c(sc2n1)COC(C)(C)C3 2208175 WSVCJGBOXIRHMB-UHFFFAOYSA-N 368.593 5.547 0 50 FKAA CC[C@H](Sc1nc2ccccc2s1)C(=O)N[C@H](C)c1ccccc1 2836899 BWOWZFNRZAJOEH-CJNGLKHVSA-N 356.516 5.044 0 50 FKAA CCCC[C@@H](CC)C(=O)Nc1cccc(NC(=O)[C@H](CC)CCCC)c1 4652353 KIAIJJBKZOSWJY-QZTJIDSGSA-N 360.542 5.996 0 50 FKAA COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)c1 25781737 ZVDHPVGJVCEQRS-ISKFKSNPSA-N 370.452 5.246 0 50 FKAA NCCCCCn1cnc(-c2ccccc2)c1-c1ccc2cc(F)ccc2n1 65534375 GHCUSWWVXZVTFZ-UHFFFAOYSA-N 374.463 5.033 0 50 FKAA COc1cccc(-c2ccc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2)c1 426500364 XLHZNKAGJJMSEV-QHCPKHFHSA-N 372.468 5.125 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 1063817 XUAHLDWPSAAJIL-UHFFFAOYSA-N 373.521 5.486 0 50 FKAA c1ccc2sc(-c3ccc(NCc4ccc5c(c4)OCO5)cc3)nc2c1 1064305 LJKLNHZUQGJKTC-UHFFFAOYSA-N 360.438 5.304 0 50 FKAA Fc1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 1087093 BYKNPACEXBDCPQ-UHFFFAOYSA-N 359.651 5.051 0 50 FKAA O=C(COc1ccc2ccccc2c1)Nc1nc2ccc(Cl)cc2s1 1114876 MKIHBFVCWXQMHN-UHFFFAOYSA-N 368.845 5.120 0 50 FKAA Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Br)cc1 1207186 JKHBXKLXDFLNQE-UHFFFAOYSA-N 373.275 5.133 0 50 FKAA Cc1ccc(SCCNC(=S)Nc2cccc(Cl)c2C)cc1 2783960 SXGZAEQCVIQTQQ-UHFFFAOYSA-N 350.940 5.036 0 50 FKAA O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 2810559 XNTFZBXYRXYKRJ-IBGZPJMESA-N 369.251 5.765 0 50 FKAA CCCCOP(=O)(OCCCC)[C@H](C)CP(=O)(OCC)OCC 5298388 QHBHRNVDPPAPDJ-OAHLLOKOSA-N 372.379 5.468 0 50 FKAA CCC[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN12 5591524 LAYDXRNIEULOQX-ROUUACIJSA-N 361.272 5.663 0 50 FKAA Cc1cc(Br)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1 13321264 UGABNBJTHHXMCE-UHFFFAOYSA-N 373.172 5.420 0 50 FKAA CCn1c(S)nnc1-c1cc(-c2ccc(Cl)cc2)nc2ccccc12 17075379 VOHOYEQWVITBOK-UHFFFAOYSA-N 366.877 5.122 0 50 FKAA C[C@@H]1[C@H]2C[C@@H](C/C2=N/Nc2nc(-c3ccc(Cl)cc3)cs2)C1(C)C 257367474 APRQKKFWPPUGIR-MIKQTAEHSA-N 359.926 5.934 0 50 FKAA Cc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)cs1 663864 MIBNOUUZALOZLW-UHFFFAOYSA-N 363.269 5.678 0 50 FKAA CC(=O)N1c2ccccc2[C@](C)(c2ccc(Br)cc2)CC1(C)C 753153 JGFXGBLLBJVLGO-FQEVSTJZSA-N 372.306 5.290 0 50 FKAA CCOc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 942718 YZKUKWLMJCWYGY-UHFFFAOYSA-N 364.319 5.311 0 50 FKAA Oc1cccc2c(NC(=S)Nc3ccc(Cl)cc3Cl)cccc12 1080827 KADTWPZVPZVQGK-UHFFFAOYSA-N 363.269 5.661 0 50 FKAA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2C(=O)Cc1ccccc1 1121970 YEYRERAZCDWFIX-SIKLNZKXSA-N 355.481 5.495 0 50 FKAA O=C(/C=C/c1ccco1)Nc1ccc(Oc2ccc3ccccc3c2)cc1 1139143 HDFWSQJBOMQPRK-BUHFOSPRSA-N 355.393 5.877 0 50 FKAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 2179326 HVRKVGUGSIDYDR-UHFFFAOYSA-N 365.860 5.803 0 50 FKAA CC(C)C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 4582904 UHUHDVGYLSYYGD-HSZRJFAPSA-N 373.496 5.067 0 50 FKAA CCc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 4858403 LPKUFQBFAQJVJT-UHFFFAOYSA-N 369.424 5.218 0 50 FKAA CCCCCn1cc(C(=O)Oc2cccc3ccncc23)c2ccccc21 95803981 FCEZWMICUGXUDA-UHFFFAOYSA-N 358.441 5.599 0 50 FKAA in-vitro CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(C)[C@@H]3CC[C@@]12C 256990239 YWHWYTRNKBGSRE-PWGWTGGKSA-N 370.665 8.418 0 50 FKAA O=C(c1ccsc1C(F)F)N1CCC(c2ccc(Cl)cc2)CC1 1875342801 HSOCPHZJPUTQOF-UHFFFAOYSA-N 355.837 5.359 0 50 FKAA Cc1oc2ccccc2c1CC(=O)OCc1csc(-c2ccccc2)n1 2325852085 SAZYBYMHHJNSBH-UHFFFAOYSA-N 363.438 5.151 0 50 FKAA O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 855835 QATQAOWGXBVNNB-UHFFFAOYSA-N 360.800 5.169 0 50 FKAA CCn1c(SCc2cccc(Cl)c2)nc2sc(C)c(C)c2c1=O 2349329 NXCBRYVBYVTLSK-UHFFFAOYSA-N 364.923 5.040 0 50 FKAA Cc1cc(Cl)c(OCCCN2C[C@@H](C)C[C@@H](C)C2)c(Br)c1 2824829 YAEDUFNYVDYWSJ-OKILXGFUSA-N 374.750 5.158 0 50 FKAA C/C=C/c1ccc(OCCCCOc2ccccc2C(C)=O)c(OC)c1 2985816 DOQFEBXARDVOQO-RUDMXATFSA-N 354.446 5.169 0 50 FKAA Brc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 4010615 LTAXGGFEMUCYOT-OAHLLOKOSA-N 373.275 5.459 0 50 FKAA CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H](C(=O)c5ccccc5)CC[C@@H]34)[C@]2(C)CC1 4533022 YKMWBUJFIQUVEI-HTZAZEJMSA-N 362.557 6.838 0 50 FKAA Cc1cc(NCc2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5557314 CCKKNZBQQZPDDC-UHFFFAOYSA-N 362.864 5.279 0 50 FKAA Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccco4)c3)oc2cc1C 13616722 VGVMOYWIAXSJQQ-CMDGGOBGSA-N 358.397 5.357 0 50 FKAA COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc1OC 15867008 XRFCNFTXEOBHNQ-INIZCTEOSA-N 374.506 5.223 0 50 FKAA CN(CCc1ccccc1)Cc1cccc(Oc2ccc(Cl)cc2)c1 23281688 GISRSLUBIZUZKX-UHFFFAOYSA-N 351.877 5.807 0 50 FKAA OC1=C[C@]2(CCC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 100671007 ATYUUWKZMABGCU-CTNGQTDRSA-N 366.848 5.206 0 50 FKAA O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2 140055905 OXSVUGQIMWWJSO-UHFFFAOYSA-N 363.416 5.958 0 50 FKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)cccc21 169743708 ZXHMUQVMGJYGAV-UHFFFAOYSA-N 352.392 6.427 0 50 FKAA CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc3[nH]c(C)cc3c2)s1 176136247 ITDBSJVHNNBYCA-CYBMUJFWSA-N 356.495 5.029 0 50 FKAA Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(Cl)cc1 625401 DSOPFFSAIWLNAQ-UHFFFAOYSA-N 360.841 5.132 0 50 FKAA O=C(Nc1cccc(Cl)c1Cl)Nc1ncc(Cl)cc1Cl 641821 XUFXWFNNVNIXOD-UHFFFAOYSA-N 351.020 5.339 0 50 FKAA CSc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1116518 JFAPDGMYCOHUEG-UHFFFAOYSA-N 371.483 5.002 0 50 FKAA CCc1cc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2cc1OC(C)=O 1156167 ZVKCEMJJMXOUOS-UHFFFAOYSA-N 374.795 5.049 0 50 FKAA Oc1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 1395701 RQMBVQYGPRMKDV-UHFFFAOYSA-N 374.240 5.165 0 50 FKAA CC(C)C[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 2250769 YZIUAMHPYPJSNI-XIKOKIGWSA-N 364.898 5.365 0 50 FKAA CC[C@H](C)c1ccc([C@@H](CC)NC(=S)Nc2ccc3c(c2)OCO3)cc1 2853724 CKEKQRLYNKXZJM-KBXCAEBGSA-N 370.518 5.367 0 50 FKAA Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1ccccc1)C2 11999438 WFNDOEWEIYNBQS-UHFFFAOYSA-N 365.860 5.107 0 50 FKAA CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)c(C(=O)O)c1O 15263967 QPIZDZGIXDKCRC-JTCWOHKRSA-N 372.505 6.066 0 50 FKAA biogenic,in-vitro CC[C@H](C)c1ccc([C@H](CC)NC(=O)Nc2ccc3c(c2)CCC3)cc1 20573154 LLOFWSBQVUMASU-AOMKIAJQSA-N 350.506 5.962 0 50 FKAA CC(C)(C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 257349180 MENHVRZEYBHNIS-KQAHGGQMSA-N 374.565 5.556 0 50 FKAA O=C(c1ccccc1)c1ccccc1NC(=O)c1cccc2ccccc12 634248 MWTLBCRCRLBVTD-UHFFFAOYSA-N 351.405 5.323 0 50 FKAA O=C(Nc1ccc(Cl)cn1)Nc1cc(Cl)c(Cl)cc1Cl 640892 TWDOAPMHSJFUPB-UHFFFAOYSA-N 351.020 5.339 0 50 FKAA Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c[nH]2)c(C)c1 1049871 UZTUJGDYVMNBDN-INIZCTEOSA-N 365.502 5.121 0 50 FKAA Cc1ccc(-c2ccc(/C=C3/N=C(c4cccs4)OC3=O)o2)cc1Cl 1120305 KJQSNFGAPJILNZ-XNTDXEJSSA-N 369.829 5.314 0 50 FKAA COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl 1397586 PMEOCJRFYMIHHN-CYBMUJFWSA-N 371.647 5.176 0 50 FKAA O=C(Cc1cccs1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2343386 CQATWWRVWUXSDP-UHFFFAOYSA-N 360.438 5.251 0 50 FKAA O=C(CCCOc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 2992832 DTULKRIVSQROKF-UHFFFAOYSA-N 358.652 5.445 0 50 FKAA FC(F)(F)c1cccc(/C=C/c2nn3c(-c4ccccc4)nnc3s2)c1 4538906 MMPNBQWWRAVZDH-MDZDMXLPSA-N 372.375 5.042 0 50 FKAA Fc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3Cl)CC2)c1 11789271 XTYMQPAUJPQKOP-UHFFFAOYSA-N 369.871 5.249 0 50 FKAA CSc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 13329949 VSSFBUIFDWWGOW-SNVBAGLBSA-N 355.290 5.598 0 50 FKAA O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CC1 638757 WHVXUFPCLDCGAD-SFHVURJKSA-N 351.298 6.196 0 50 FKAA Cc1ccc(NC(=O)C[C@H](c2ccccc2)c2ccc(C)c(C)c2O)cc1 986065 UULYOIMVRHDJFW-JOCHJYFZSA-N 359.469 5.478 0 50 FKAA COc1c(C(=O)Nc2ccc(C)c(Br)c2)ccc2ccccc12 1054976 XFMZFXZHZVZUGL-UHFFFAOYSA-N 370.246 5.172 0 50 FKAA CC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1 1144927 SYMCKNWAZNFDBF-UHFFFAOYSA-N 373.452 5.059 0 50 FKAA Cc1cc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)oc2cc1C 1208359 UIOCMOYLFHWXII-UHFFFAOYSA-N 360.388 5.503 0 50 FKAA CC(C)(C)c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 1453035 CAHNALBEKCKQGZ-UHFFFAOYSA-N 350.487 5.284 0 50 FKAA Cc1cc2nc(NC(=O)Nc3cccc(C(F)(F)F)c3)sc2cc1C 2172428 BNDIATBFUVAPOG-UHFFFAOYSA-N 365.380 5.576 0 50 FKAA CC(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 2812239 SUGGXFFYDNHZPI-QFIPXVFZSA-N 360.432 5.720 0 50 FKAA O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 2890923 NDHQYCFZNSJEPL-UHFFFAOYSA-N 365.241 5.018 0 50 FKAA Cc1nn(C)cc1CN1CC[C@H](c2cccc(F)c2)Sc2ccccc21 11786618 FMBLZAMKTGYMSP-HXUWFJFHSA-N 367.493 5.111 0 50 FKAA CCN(CC)CC1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 253471509 UIRHDPTXWGMSTH-UHFFFAOYSA-N 370.496 5.381 0 50 FKAA Cc1cccc(CSc2ccccc2NC(=O)c2cccn2C2CC2)c1 952873903 PXQTVVDKEUICSG-UHFFFAOYSA-N 362.498 5.676 0 50 FKAA Cc1ccc2cccc(Oc3ncnc4sc(-c5ccccc5)cc34)c2n1 632062 PQYSVAGNESNNJD-UHFFFAOYSA-N 369.449 6.007 0 50 FKAA Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl 640528 JYYYTILCMLYFNN-UHFFFAOYSA-N 364.876 5.883 0 50 FKAA CCC(=O)Nc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 792491 XZIZTQZDEUMYDI-UHFFFAOYSA-N 358.850 5.156 0 50 FKAA O=C(COc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 944914 HOXAZEYAGILRBS-UHFFFAOYSA-N 364.150 5.030 0 50 FKAA O=C(Nc1nc2ccccc2s1)c1ccccc1CCc1ccccc1 1066614 KXJACKKBIVFRGG-UHFFFAOYSA-N 358.466 5.334 0 50 FKAA CC(=O)c1ccc(COc2cccc(-c3cnc4ccccc4n3)c2)cc1 1124660 OAKJRSOPWGBRBN-UHFFFAOYSA-N 354.409 5.078 0 50 FKAA Cc1cccc2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3Cl)nc12 2111001 MYWQWLCGSMCYDH-UHFFFAOYSA-N 366.631 5.869 0 50 FKAA O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 3990465 QAWBIEIZDDIEMW-FPYGCLRLSA-N 374.480 5.625 0 50 FKAA Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccccc1)O2 4281987 VFFURTPDJYYADZ-PXNSSMCTSA-N 366.873 5.644 0 50 FKAA Clc1ccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)cc1 4315136 DRGPHXMJECBVAO-RUJXFNLJSA-N 370.930 6.484 0 50 FKAA O=C(Nc1ccccc1F)/C(=C/c1ccccc1Cl)c1ccccc1 4819525 PHJNRZUGAQFOPP-SAPNQHFASA-N 351.808 5.658 0 50 FKAA O=C(Nc1cccnc1)c1ccc(COc2ccc3ccccc3c2)cc1 12946099 KBNRNFDIMASDRY-UHFFFAOYSA-N 354.409 5.066 0 50 FKAA CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)Nc2ccc3c(c2)CCC3)cc1 20573148 LLOFWSBQVUMASU-OPAMFIHVSA-N 350.506 5.962 0 50 FKAA CC(C)(C)OC(=O)n1c(Cl)cc2ccc(OCc3ccccc3)cc21 261493948 MMCMXSVKZBSEJH-UHFFFAOYSA-N 357.837 5.657 0 50 FKAA O=C1C(Nc2ccccc2)=C[C@H](c2ccc(Cl)cc2)N1c1ccccc1 825201 NUVINAWRXAHZNE-OAQYLSRUSA-N 360.844 5.424 0 50 FKAA Cc1ccc(-c2csc(NC(=O)COc3c(C)ccc(C)c3C)n2)cc1 951221 KLARGBSSMKPFIU-UHFFFAOYSA-N 366.486 5.061 0 50 FKAA O=C(Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl 952480 NGADHVHLPNQITE-UHFFFAOYSA-N 350.032 5.944 0 50 FKAA Cc1cc(=O)oc2cc(O[C@@H](C(=O)c3ccccc3)c3ccccc3)ccc12 1120342 XLGCNYXFXGFCDE-XMMPIXPASA-N 370.404 5.104 0 50 FKAA CC[C@H](C)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 1146912 JARKSAWQNWEFII-INIZCTEOSA-N 357.453 6.076 0 50 FKAA O=C(CSCc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 1216025 YUUCDCUWKBNFAW-UHFFFAOYSA-N 374.465 5.367 0 50 FKAA O=C(NC1CCCCCCCCCCC1)c1cncc(Br)c1 2190726 DQKKOSWEAYBEQX-UHFFFAOYSA-N 367.331 5.247 0 50 FKAA C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)no1 2357084 UQGGUMGZIQAZHZ-VIFPVBQESA-N 369.635 5.837 0 50 FKAA Cc1ccccc1COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 2811781 LRJPZCLXAYXITN-UHFFFAOYSA-N 354.833 5.213 0 50 FKAA O=C(NCCSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1 2986032 VATIQDVIZPOKEE-UHFFFAOYSA-N 355.290 5.048 0 50 FKAA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccccc1 3880721 CTROTENIADTQAO-PJDJRYGESA-N 368.480 5.678 0 50 FKAA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 1191257 HKWNCYKBLBCUHP-BQYQJAHWSA-N 359.269 5.376 0 50 FKAA Fc1ccc(CSc2nnc(SCc3cccc(F)c3)s2)cc1 1759557 SGYVSTZPXLXFQL-UHFFFAOYSA-N 366.483 5.401 0 50 FKAA Cc1cccc(OP(=O)(Nc2ccc(F)cc2)Oc2cccc(C)c2)c1 2593835 IYHHMPHFDQXTPV-UHFFFAOYSA-N 371.348 6.121 0 50 FKAA CC[C@@H]1CCCCN1Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC 2928703 AIVPFDKPVKMYBI-HXUWFJFHSA-N 363.501 6.181 0 50 FKAA CCCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 2950382 IGHXJUMIHTWOQS-UHFFFAOYSA-N 371.786 5.790 0 50 FKAA Cc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)o1 4152168 YPMUDBLBZRKRIQ-UHFFFAOYSA-N 354.453 6.348 0 50 FKAA CC[C@H](C(=O)SCCN(CC)CC)c1ccc(-c2ccccc2)cc1 4214649 PFNLUFYAGHJNKJ-NRFANRHFSA-N 355.547 5.449 0 50 FKAA in-man O=C(c1cccc(Cl)c1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 170618296 NSNUXGZIKJLWTJ-KRWDZBQOSA-N 372.902 5.455 0 50 FKAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)c(Cl)c1 1226025 PGXZDYHOSIXCHS-UHFFFAOYSA-N 368.569 5.918 0 50 FKAA CCCOc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1 1777987 QVKSGMGNSGPRCW-OBGWFSINSA-N 371.480 5.394 0 50 FKAA CCn1c(C)c(C)c2cc(C(=O)Nc3cc(Cl)ccc3OC)ccc21 2761312 QGBZZAWLNCBRRH-UHFFFAOYSA-N 356.853 5.192 0 50 FKAA CC(C)c1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)cc1 2859050 UVLGPPYEPGVSDJ-UHFFFAOYSA-N 362.498 6.411 0 50 FKAA COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 2875192 QMIVRHLKGPTYPU-UHFFFAOYSA-N 374.465 5.533 0 50 FKAA Cc1cc(Cl)c(OCCCN2C[C@H](C)C[C@@H](C)C2)c(Br)c1 4913893 YAEDUFNYVDYWSJ-ZIAGYGMSSA-N 374.750 5.158 0 50 FKAA COc1ccc(F)c(-c2nc(CN(C)[C@H](C)c3cccs3)c(C)o2)c1 12459555 MXXAIRFPUZGZST-GFCCVEGCSA-N 360.454 5.052 0 50 FKAA Cc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1Cl 13320087 OEGLMSLWWXVELG-UHFFFAOYSA-N 353.647 5.363 0 50 FKAA COc1cccc([C@@H]2CCCN2Cc2c[nH]nc2-c2cc3ccccc3o2)c1 23338774 UOCWGSSXKZQOMY-FQEVSTJZSA-N 373.456 5.169 0 50 FKAA CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC 101652080 UCLGIKKXOIONJU-GXWFBMCDSA-N 351.534 5.656 0 50 FKAA Cc1ccc2c(C)cc(NCc3ccc(C(=O)N4CCCC4)cc3)nc2c1C 1704298007 CSHBWDCDZPAUDN-UHFFFAOYSA-N 373.500 5.008 0 50 FKAA Cc1ccc(Oc2ccc(N3C(=O)[C@H](C)SC34CCCCC4)cc2)cc1 1875281800 XKSGCUBFMZINRA-KRWDZBQOSA-N 367.514 5.916 0 50 FKAA Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 638634 CIBIBYVZYXAERC-UHFFFAOYSA-N 356.057 5.099 0 50 FKAA Cc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1F 869320 SQTJRHRZARGCIW-UHFFFAOYSA-N 362.763 5.142 0 50 FKAA FC(F)(F)c1cccc(Nc2ncnc3ccc(Br)cc23)c1 949365 DSKPAROKUPBYQP-UHFFFAOYSA-N 368.156 5.155 0 50 FKAA Cc1c(Cc2ccccc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 1805003 OPSQSGKZZGXJPH-UHFFFAOYSA-N 366.416 6.105 0 50 FKAA biogenic CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cccc(Cl)c1Cl 2167875 XANHFYJRUVGJBN-UHFFFAOYSA-N 365.304 6.884 0 50 FKAA CC[C@H](C)c1ccc(NC(=S)Nc2cccc(Cn3cccn3)c2)cc1 2859047 WGPSCCBXRWRUNW-INIZCTEOSA-N 364.518 5.254 0 50 FKAA COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccccc1F 4223006 QQTGGZUNVZPOIW-QGZVFWFLSA-N 365.448 5.264 0 50 FKAA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cc1ccccc1 4542312 ZXRHNTAADWWKEF-UHFFFAOYSA-N 371.267 6.228 0 50 FKAA Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccs1 4841798 FHYRXOZOKWHFNQ-UHFFFAOYSA-N 350.468 5.586 0 50 FKAA Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)o1 5441698 PFBOFCQINQFHFV-IBGZPJMESA-N 363.438 5.012 0 50 FKAA biogenic Cc1cc(SCc2ccc(Cl)cc2)n2ncc(-c3ccccc3)c2n1 5554953 HGMJQWQASAWFOH-UHFFFAOYSA-N 365.889 5.650 0 50 FKAA Cc1cc(Br)ccc1NC(=O)/C=C/c1cccc2ccccc12 5680050 NJPTWAREGQALRK-FMIVXFBMSA-N 366.258 5.563 0 50 FKAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 101897670 TXGFFHXMIVTPQM-ZNOIYHFQSA-N 369.848 5.058 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]12C 257356008 FEGCPHIPSRBREU-QOVMQUBRSA-N 374.565 5.283 0 50 FKAA CCOc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 958767 GQINXILKRKIWKR-UHFFFAOYSA-N 370.301 5.264 0 50 FKAA CC(C)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 1051187 CTDQZYXTVLNHIN-UHFFFAOYSA-N 362.804 5.001 0 50 FKAA C[C@@H](NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccccc1 1143587 WGTVQMDIQYWXGB-MRXNPFEDSA-N 365.860 5.410 0 50 FKAA Cc1cc(Cl)c(OCCCCN2CCC(C)CC2)c(Br)c1 3003119 VCDLOVPXUZIANM-UHFFFAOYSA-N 374.750 5.302 0 50 FKAA Fc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccccc3F)C2)cc1 5073931 JPWCUXOLHOTIGB-NRFANRHFSA-N 368.814 5.974 0 50 FKAA O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1ccc(Cl)cc1 36620359 CCDNDEKRXYJVEK-INIZCTEOSA-N 368.786 5.728 0 50 FKAA CCCCCn1cc(C(=O)c2c(C)ccc3ccccc23)c2ccccc21 71746280 JFJAWRDBCAFLQA-UHFFFAOYSA-N 355.481 6.524 0 50 FKAA in-vitro CC1(C)CC2=Nc3ccccc3N[C@H](c3c(F)cccc3Cl)C2=C(O)C1 100671149 QADUBTASJBSPDB-HXUWFJFHSA-N 370.855 6.351 0 50 FKAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 101897664 TXGFFHXMIVTPQM-VMDGZTHMSA-N 369.848 5.058 0 50 FKAA O=C(NC1CCCCCCC1)c1ccc(COc2ccccc2Cl)o1 651568 AWVQIIOIERCXRE-UHFFFAOYSA-N 361.869 5.355 0 50 FKAA Cc1cccc2c1N(C(=O)c1ccco1)C(C)(C)c1ssc(=S)c1-2 857653 XIMYFKZWRYQNAU-UHFFFAOYSA-N 373.524 6.003 0 50 FKAA Cc1cc(Nc2ccc(F)cc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2219599 AFHOHMPUGDIKCZ-UHFFFAOYSA-N 352.800 5.241 0 50 FKAA COCOc1ccc2ccccc2c1-c1c(OCOC)ccc2ccccc12 2510896 YIAQRNNJNMLGTP-UHFFFAOYSA-N 374.436 5.625 0 50 FKAA in-vitro C[C@H](CCc1ccc(O)cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 2894086 QLPAJZWONBXDTG-HXOBKFHXSA-N 365.904 5.746 0 50 FKAA COc1ccc([C@H](CCNCc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4029209 YWTIARYUAOPLGM-GMAHTHKFSA-N 367.533 5.164 0 50 FKAA biogenic COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC 5078339 WUQBRQDZASCWEH-BUBBNXEVSA-N 363.929 5.052 0 50 FKAA Cc1cc(C)c(Cc2cc(C)c(Cc3c(C)cc(C)cc3C)c(C)c2)c(C)c1 71775461 PESCOQMBEJBWSD-UHFFFAOYSA-N 370.580 7.336 0 50 FKAA C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]12C 253614824 FEGCPHIPSRBREU-UPACSUOZSA-N 374.565 5.283 0 50 FKAA CC(C)C1CCC([C@](C)(O)CNCc2ccc3c(c2)CCC3(C)C)CC1 2325841877 IQPONHMGEVRHNS-NFDBJIOVSA-N 357.582 5.213 0 50 FKAA COc1ccc(-c2cc(=O)oc3cc(OCc4ccccc4)ccc23)cc1 1123490 LAYXYEUITPDBGN-UHFFFAOYSA-N 358.393 5.048 0 50 FKAA biogenic COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 1200672 HFZHYRXUAGLKGY-UHFFFAOYSA-N 358.850 5.033 0 50 FKAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 1208647 RWYSPPPSMQEOQH-UHFFFAOYSA-N 361.832 5.065 0 50 FKAA CN1c2ccccc2-c2ccccc2[C@@]12C=Cc1c(ccc3ccccc13)O2 2030600 ZWYHZMUICJKGRE-SANMLTNESA-N 361.444 6.215 0 50 FKAA Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2082019 LJCWEYOUHNEUCV-UHFFFAOYSA-N 372.855 6.116 0 50 FKAA CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2F)n1 2858183 RDLKBCYIMSEHPR-UHFFFAOYSA-N 361.376 5.003 0 50 FKAA CN(CCc1ccccc1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4987613 KXPPUNZHTXEZJM-UHFFFAOYSA-N 353.550 5.662 0 50 FKAA Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1 72437606 ZNTPZJLRFYHFGM-UHFFFAOYSA-N 372.787 5.014 0 50 FKAA COc1ccc(C2=NN3[C@@H](CC(C)C)Oc4ccc(Cl)cc4[C@H]3C2)cc1 100671032 UJKXUKRXTJCACO-TZIWHRDSSA-N 370.880 5.264 0 50 FKAA CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2 722384 LAWGYCZQUIHHFL-UHFFFAOYSA-N 370.518 5.254 0 50 FKAA Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 1209262 ZAPMZCDAVJOOBR-UHFFFAOYSA-N 359.050 5.317 0 50 FKAA Cc1ccc2oc(-c3ccc(NC(=O)CCc4ccccc4)cc3)nc2c1 2868727 QDJRNAPXOSIWLA-UHFFFAOYSA-N 356.425 5.375 0 50 FKAA CC(C)c1ccccc1NC(=O)CCc1ccc(-c2cccc(Cl)c2)o1 4541870 XTJJUFUEJVSCKZ-UHFFFAOYSA-N 367.876 6.295 0 50 FKAA Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4854231 AITNDJBOFFFHIX-PXNSSMCTSA-N 366.873 5.644 0 50 FKAA COc1ccc(N[P@@](C)(=O)O[C@@H](c2ccccc2)C(F)(F)F)cc1 4952052 QTJGMRADBUCYDH-OWJWWREXSA-N 359.284 5.250 0 50 FKAA Cc1cc2nc(-c3ccc(NC(=O)c4ccccc4)cc3O)oc2cc1C 5068355 HPZPDWWOUGKROA-UHFFFAOYSA-N 358.397 5.070 0 50 FKAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc2ccccc12 6700097 ADMVOWADRZGQNU-UHFFFAOYSA-N 373.456 5.110 0 50 FKAA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)ccnc21 169808700 QSEMMUYKUYKNBI-UHFFFAOYSA-N 353.380 5.822 0 50 FKAA CCCCOc1ccc(S(=O)(=O)Oc2cccc3ccccc23)cc1C 1875302738 FDCYTMAJXMCRBW-UHFFFAOYSA-N 370.470 5.095 0 50 FKAA O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1 637878 RGSZICZQEBQBAB-UHFFFAOYSA-N 363.269 5.293 0 50 FKAA CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 989767 SHHAGXVWVAMAHP-UHFFFAOYSA-N 368.820 5.201 0 50 FKAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(F)cc1F 997052 FTUDAMSOLLCBLZ-UHFFFAOYSA-N 374.390 5.741 0 50 FKAA Cc1cccc(C)c1OCC(=O)Nc1ccccc1Sc1ccccc1 1049415 ZCPBXILPOQAIJT-UHFFFAOYSA-N 363.482 5.472 0 50 FKAA O=C(CCCOc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 2839801 SWOMUNYMLBGRLU-UHFFFAOYSA-N 357.759 5.157 0 50 FKAA Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 2888792 KXCHMKZKUYGSJT-JTQLQIEISA-N 358.652 5.361 0 50 FKAA c1ccc(COc2ccc3ccccc3c2CNCc2ccccn2)cc1 4935186 WSASRCQDJILRGN-UHFFFAOYSA-N 354.453 5.104 0 50 FKAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 6524147 KXFLCJSLJOADQO-LJQANCHMSA-N 373.496 5.088 0 50 FKAA C[C@@H](COC1CCCCC1)NCCC(c1ccccc1)c1ccccc1 6850812 JUMQLZDDBWYNFW-FQEVSTJZSA-N 351.534 5.536 0 50 FKAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H]1c1cccs1 14242014 YNJMVDOECGRJNY-OAHLLOKOSA-N 372.877 5.342 0 50 FKAA CCCC[Sn](CCCC)(CCCC)C1=CCCCO1 169819633 ZQMLPLBDZBCQCV-UHFFFAOYSA-N 373.169 6.069 0 50 FKAA CCOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Br 823380617 INHJACAEJVFQGK-UHFFFAOYSA-N 351.631 5.045 0 50 FKAA O=C(Nc1cc(Cl)cc(Cl)c1)C(c1ccccc1)c1ccccc1 670519 ARZPRCFXLNWMCP-UHFFFAOYSA-N 356.252 5.764 0 50 FKAA CC(C)(C)c1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1 1002524 PLJBXSHNKRSZBI-UHFFFAOYSA-N 371.440 5.440 0 50 FKAA C[C@H](Oc1cccc(Cl)c1)C(=O)NC(c1ccccc1)c1ccccc1 1114907 IGOUHJRBGKJKFB-INIZCTEOSA-N 365.860 5.013 0 50 FKAA CCOc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1 1197312 MOTAHAYKJIPWPF-UHFFFAOYSA-N 363.891 5.323 0 50 FKAA COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)cc3)c2c1 1226809 LNOILFXXKHSVCT-UHFFFAOYSA-N 368.436 5.471 0 50 FKAA Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1 1390116 PHDRERHAUSRLEP-UHFFFAOYSA-N 359.903 5.747 0 50 FKAA C[C@H]1CCCCN1C(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12 1459814 YWROQOVYHJFHRK-HNNXBMFYSA-N 364.876 5.570 0 50 FKAA Cc1ccc2c(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)oc2c1 2866545 ROUAIFXXCXHYFO-UHFFFAOYSA-N 367.754 5.974 0 50 FKAA CC[C@H](C)c1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1 3101944 APPOGSHEZKJWAJ-GMMCIKNFSA-N 358.279 5.615 0 50 FKAA COc1ccc(C(=O)Oc2cc(C(C)C)c(Br)cc2C)cc1 4050745 CLDTXFVCYCDOOI-UHFFFAOYSA-N 363.251 5.109 0 50 FKAA Cc1ccccc1NC(=O)CCc1ccc(-c2ccccc2C(F)(F)F)o1 4542881 UGOLPQHHRCGXID-UHFFFAOYSA-N 373.374 5.845 0 50 FKAA COc1ccc(-c2nc(CN(Cc3ccccc3)CC3CC3)c(C)o2)cc1 11815524 PORUWEDSEZEVLW-UHFFFAOYSA-N 362.473 5.071 0 50 FKAA Cc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 25764046 CZXUJHYQXDLEKT-JTHBVZDNSA-N 358.416 5.376 0 50 FKAA O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CSc2ccc(Cl)cc2)cc1 101670570 HQDJBWTZBXGKSY-KNBMTAEXSA-N 371.933 5.551 0 50 FKAA C[C@@H]1[C@@H](NC(=O)c2sc3cc(Cl)ccc3c2Cl)CCC[C@H]1C 252512949 WVKPAUMSQIVGKI-NRUUGDAUSA-N 356.318 5.763 0 50 FKAA Cc1ccc(-c2ccc(C(=O)N(Cc3cccc(O)c3)C3CC3)cc2)cc1 952976056 UJLDHDXDZQYIHV-UHFFFAOYSA-N 357.453 5.172 0 50 FKAA COc1ccccc1CCNc1ncnc2sc(-c3ccccc3)cc12 2325706803 BOGONEHDVZMTOR-UHFFFAOYSA-N 361.470 5.022 0 50 FKAA COc1ccccc1-c1ccc([C@@H](C)NCC/C=C/Br)cc1 2325821981 SFBGAVMDTSJBIV-DTHCKZEYSA-N 360.295 5.312 0 50 FKAA Cc1cc(-c2cccs2)c2c(N)c(C(=O)c3ccccc3)sc2n1 663525 RJIPCJGRMXERMC-UHFFFAOYSA-N 350.468 5.146 0 50 FKAA Clc1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1Cl 717071 YUEMINLQZUVKPQ-UHFFFAOYSA-N 360.269 5.515 0 50 FKAA O=Cc1cn(-c2cccc(Cl)c2)nc1-c1cc(F)c(Cl)cc1Cl 732221 SSKJHKMFWASXAM-UHFFFAOYSA-N 369.610 5.451 0 50 FKAA CC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 843951 LXSDLRGGIBXRSS-UHFFFAOYSA-N 373.843 5.896 0 50 FKAA COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 994714 JAKOCQKNFMBVJD-UHFFFAOYSA-N 372.424 5.373 0 50 FKAA COc1ccc(Cl)cc1NC(=O)/C=C/c1c(Cl)cccc1Cl 998023 QKLFWOKNNOOINP-SOFGYWHQSA-N 356.636 5.307 0 50 FKAA O=C(COc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 1016675 BBLQWYGKJGUKOK-UHFFFAOYSA-N 367.857 5.548 0 50 FKAA COc1ccc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC 1116264 LMSBDHYPIZRGQC-OQLLNIDSSA-N 374.440 5.099 0 50 FKAA Cc1ccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 4155074 IWBPCXILSZFUEX-XNTDXEJSSA-N 372.855 5.518 0 50 FKAA O=C(Nc1ccc(F)cc1F)/C(=C/c1ccccc1Cl)c1ccccc1 4872847 MMWOPNFACDBHTP-SFQUDFHCSA-N 369.798 5.798 0 50 FKAA COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)[C@@H]2CCCCC2=O)cc1 22258609 ZDEUPEMTSXKICC-VQTJNVASSA-N 370.876 5.465 0 50 FKAA O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 225406260 KLPRTZBSMHIVOM-MCEUPANISA-N 357.460 5.172 0 50 FKAA CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2C(C)=O)C1 253612227 CRRKVZVYZQXICQ-WWSUJNAZSA-N 358.522 5.086 0 50 FKAA CC(C)c1oc([C@@H]2CCCN2C(=O)CC(F)(F)F)nc1-c1ccccc1 266289673 IACJLGJACIFOHC-AWEZNQCLSA-N 366.383 5.081 0 50 FKAA CC(C)c1nc2cc(NC(=O)N3CCC[C@@H](c4ccccc4)C3)ccc2[nH]1 299763279 YQVCUSCDLBPEOO-QGZVFWFLSA-N 362.477 5.098 0 50 FKAA CCc1ccccc1-c1ccc(C(=O)N2CCC([C@H](C)COC)CC2)cc1 426494720 YUDZPYUCJWLRJT-GOSISDBHSA-N 365.517 5.051 0 50 FKAA CO[C@H](CN[C@H](C)c1ccc(Cl)c2ccccc12)Cc1ccccc1 2325870458 YRUJXHFXIHNPQP-AEFFLSMTSA-N 353.893 5.402 0 50 FKAA CCCN(CCC)C(=O)C[C@H](c1ccccc1)c1cc(C)c(C)cc1O 1158169 LEHDXMSCGOSOHA-HXUWFJFHSA-N 353.506 5.180 0 50 FKAA Cc1cccc(N2COc3ccc4cc(Br)ccc4c3C2)c1 1177031 ZPJZTVUCYWMLIB-UHFFFAOYSA-N 354.247 5.267 0 50 FKAA COc1cccc([C@H](C)NC(=S)Nc2cccc(Cl)c2Cl)c1 2853089 NLFBKXHDUMJDOT-JTQLQIEISA-N 355.290 5.050 0 50 FKAA CCn1c2ccccc2c2cc(CNCCc3c[nH]c4ccccc34)ccc21 4497806 JOSHCCLTVWCMHC-UHFFFAOYSA-N 367.496 5.628 0 50 FKAA CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc([C@H](C)CC)cc1 4650979 FMZREABFRWUADD-NAYCOAGZSA-N 368.565 5.919 0 50 FKAA Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1 4872932 WHICYSYCYSDLCO-CCEZHUSRSA-N 372.855 5.518 0 50 FKAA Fc1ccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 28712431 BCNLNLNULNZXNP-DTQAZKPQSA-N 374.464 5.473 0 50 FKAA O=C1CCCc2ccc(OCc3cc(Cl)ccc3Br)cc21 140181076 MMKIEEGFUOAIAU-UHFFFAOYSA-N 365.654 5.201 0 50 FKAA COc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 716245 NEJDMFIMFLVLSE-UHFFFAOYSA-N 367.257 5.344 0 50 FKAA O=C1C[C@H](c2cc(Br)ccc2F)c2ccc3ccccc3c2N1 1082750 WMTOFNVONAWHJX-HNNXBMFYSA-N 370.221 5.216 0 50 FKAA Cc1cc2c(cc1O)C(C)(C)CC1(CC(C)(C)c3cc(O)c(C)cc3O1)O2 2556822 HPPJCHQXOCLCJJ-UHFFFAOYSA-N 368.473 5.231 0 50 FKAA in-vitro CC(C)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 2863883 YXQXDNMHSSFVKY-QFIPXVFZSA-N 361.510 6.282 0 50 FKAA COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(C)C 2871232 DKTHNFKIUJIWFY-UHFFFAOYSA-N 354.233 5.042 0 50 FKAA Cc1ccccc1CNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 2989607 JBCJZGBMAGRDCR-RCCKNPSSSA-N 361.872 5.505 0 50 FKAA CSc1ccc2cc(CN[C@H](C)c3ccco3)c(OCC(C)C)nc2c1 12217363 SJFQBNOADWVIIC-OAHLLOKOSA-N 370.518 5.435 0 50 FKAA CC(C)(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(Cl)c3n2)cc1 20616571 YUKJEFIWJUTQPR-UHFFFAOYSA-N 353.775 5.366 0 50 FKAA CC(=O)c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1 91302056 RLXQJELUJMDJFL-UHFFFAOYSA-N 374.480 6.171 0 50 FKAA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@@H](C)O 96300367 SHJQWWJDUAHTLY-DZUHFYEBSA-N 359.554 5.405 0 50 FKAA in-vitro C[C@@H](Cc1nc(C2CCCC2)nn1-c1cccc(Cl)c1)c1ccncc1 1875348258 KRYZTOUFSKIQHN-HNNXBMFYSA-N 366.896 5.320 0 50 FKAA O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 1154217 KPWCDDLJEHXYPM-CSKARUKUSA-N 364.788 5.393 0 50 FKAA CCCCCNC(=O)c1cc(-c2ccc(CC)s2)nc2ccccc12 2112171 GZJKYXTVBXGUFX-UHFFFAOYSA-N 352.503 5.446 0 50 FKAA CC[C@@H](C)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 4423275 KFNWZALXZCNFKC-GFCCVEGCSA-N 352.261 5.524 0 50 FKAA Cc1ccc(C)c(NC(=O)CCCCCCCCCC[C@@H]2CCCO2)c1 4712825 UUPPLPKWLWRRQF-OAQYLSRUSA-N 359.554 6.322 0 50 FKAA COc1ccc(CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 993414 UOFBVPXDVZJNRY-UHFFFAOYSA-N 367.832 5.322 0 50 FKAA Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)s1 995851 CNGBNJRFMSZWON-UHFFFAOYSA-N 362.429 5.663 0 50 FKAA O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1Br 1140355 BMQNGUUQJSSNIT-SOFGYWHQSA-N 371.061 5.408 0 50 FKAA O=C(CSc1nc2ccccc2s1)Nc1cccc(Cl)c1Cl 1148625 LPGMIUSNTODYHV-UHFFFAOYSA-N 369.298 5.334 0 50 FKAA Cc1ccc2c(Cl)c(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)sc2c1 2092723 NWDRUIOWNWJIET-LBPRGKRZSA-N 373.880 5.984 0 50 FKAA O=C(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 2818269 XZFLNGBFLWNXPV-DTQAZKPQSA-N 361.872 5.582 0 50 FKAA Fc1ccc(CCNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 2840904 DHSYYKJQQQNAPA-UHFFFAOYSA-N 366.461 5.147 0 50 FKAA CCCOc1ccc(-c2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1 2939208 FXRMEKXPFJAGCB-UHFFFAOYSA-N 357.413 5.254 0 50 FKAA O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1ccc(F)cc1 4810777 SELOKJKHZZLXCI-UHFFFAOYSA-N 355.796 5.310 0 50 FKAA Cc1cc(OC(F)F)ccc1NC(=S)Nc1cc(Cl)ccc1C 13519704 CZSQFHSPHWYEQQ-UHFFFAOYSA-N 356.825 5.367 0 50 FKAA Fc1ccc(-n2ncc3c(C(F)F)cc(-c4ccc(Cl)cc4)nc32)cc1 20603128 CHLBUKCKPCEHED-UHFFFAOYSA-N 373.765 5.818 0 50 FKAA FC(F)(F)c1ccc(Oc2ccc(CN3CCCC3)cc2Cl)nc1 67755572 UFOUPCKVJHXPOR-UHFFFAOYSA-N 356.775 5.142 0 50 FKAA Fc1cccc(F)c1NCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 263640062 VMVMPZLXTNQNMB-UHFFFAOYSA-N 364.317 5.658 0 50 FKAA O=C(Nc1nc2ccccc2s1)Nc1cc(Cl)c(Cl)cc1Cl 641106 PQOXPVFZAZVBLN-UHFFFAOYSA-N 372.664 5.901 0 50 FKAA O=C1C[C@@H](c2ccccc2F)c2cc(Br)c3ccccc3c2N1 672617 VOLQBDBBOLCZKE-AWEZNQCLSA-N 370.221 5.216 0 50 FKAA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 756348 HTAJSOXGEBLEAZ-PGRDOPGGSA-N 356.469 5.208 0 50 FKAA O=C(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)c1ccccn1 841254 YZIGUNNZYXOHJD-UHFFFAOYSA-N 357.240 5.235 0 50 FKAA Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1C(C)C 946950 SCHIYFAUFDQCAE-UHFFFAOYSA-N 366.505 5.126 0 50 FKAA CCN(CC)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C)c1 1104857 FGLCOFIUCIPYQW-UHFFFAOYSA-N 372.921 5.962 0 50 FKAA O=C(CCNc1ccc(C2CCCCC2)cc1)c1ccc2c(c1)OCO2 2520613 BLQVQMILAVHJIM-UHFFFAOYSA-N 351.446 5.148 0 50 FKAA CCc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 2753428 NSQBKAJQDZADSP-UHFFFAOYSA-N 352.261 5.354 0 50 FKAA Cc1cc(C)c(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)c(C)c1 2840703 XLGHWVROLZDAGB-UHFFFAOYSA-N 359.535 5.327 0 50 FKAA COc1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1OC 2843383 AUVBARLYQIARRM-UHFFFAOYSA-N 364.401 5.140 0 50 FKAA Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1 2960409 SVOHJEYHPUVTMY-UHFFFAOYSA-N 367.901 6.193 0 50 FKAA O=C(CC12CC3CC(CC(C3)C1)C2)NCCC12CC3CC(CC(C3)C1)C2 4833846 OKJOCTPUTAHUNA-UHFFFAOYSA-N 355.566 5.316 0 50 FKAA CCCCCCOc1ccc(CN2CCN(c3ccccc3F)CC2)cc1 4980950 AQHYVEYJYJTNEZ-UHFFFAOYSA-N 370.512 5.107 0 50 FKAA COc1cccc2cc(-c3nc(-c4ccc(C)cc4C)cs3)c(=O)oc12 5196630 KGPHPTWHIVTGQN-UHFFFAOYSA-N 363.438 5.209 0 50 FKAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1C[C@H]2CCC[C@@H]1C2 60090852 JQLRQBZJHCPHDB-XJKSGUPXSA-N 350.384 5.043 0 50 FKAA FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3cscn3)C2)c1 72132155 FJTIBVCUDOGFBQ-OAHLLOKOSA-N 354.441 5.007 0 50 FKAA O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(Sc2ccc(Cl)cc2)cc1 2325863396 ICASUUVRJMIWLL-URKNILKWSA-N 373.905 5.387 0 50 FKAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1Oc1ccccc1 656095 NEWSZDQDZWBXEY-UHFFFAOYSA-N 367.832 5.458 0 50 FKAA COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2C)c(O)c1C 1162731 XOTLKSGTSNQJHB-UHFFFAOYSA-N 362.351 5.094 0 50 FKAA Clc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1Cl 1167873 SPKUJVVXLOXRFP-UHFFFAOYSA-N 370.033 5.473 0 50 FKAA CCCCn1c(C)c(C(=O)OCC)c2cc(OC(C)=O)c3ccccc3c21 1794803 WLHKBGQAJYDSBR-UHFFFAOYSA-N 367.445 5.005 0 50 FKAA COc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 2496870 BLXMUXNKMBFKBD-UHFFFAOYSA-N 353.425 5.563 0 50 FKAA Cc1sc(Nc2cc(Cl)ccc2Cl)nc1-c1ccc(Cl)cc1 2924540 SRJUZBCMHUXCCH-UHFFFAOYSA-N 369.704 6.822 0 50 FKAA C[C@H]1CCCCN1c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 4541719 XWCLYCDJGCFHSQ-SFHVURJKSA-N 358.529 6.578 0 50 FKAA C[C@H]1CCc2c(sc(N)c2C(=O)Nc2cc(Cl)ccc2Cl)C1 6824584 VZYGNZJPKGBBGS-QMMMGPOBSA-N 355.290 5.014 0 50 FKAA C[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)[C@@H]2C=C(Cl)C=C[C@H]2S1 252428320 YENHYTINCMYKIP-QRKUABHPSA-N 362.966 6.072 0 50 FKAA CC(C)CCC[C@@H](C)[C@@H]1C=C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 257349922 SRDSINWZFIYKJZ-BOKDSARMSA-N 370.665 8.274 0 50 FKAA FC(F)(F)c1cccc(Oc2ccc(NC[C@@H]3C[C@H]4CC[C@H]3O4)cc2)c1 2325863941 APHLTZVKHZLQNQ-MJXNMMHHSA-N 363.379 5.477 0 50 FKAA O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(Br)cc2)o1 666508 MZPZFGROHQLLMR-UHFFFAOYSA-N 360.182 5.101 0 50 FKAA Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2c3c(cccc13)CC2 860524 BLJTVRRNHKODJS-UHFFFAOYSA-N 370.477 5.623 0 50 FKAA CCc1cc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2cc1OC 1143247 FFOPBMBIKRZZDL-UHFFFAOYSA-N 364.319 5.175 0 50 FKAA biogenic Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 1154929 DFOUUQWFUGCROP-UHFFFAOYSA-N 362.816 5.709 0 50 FKAA Cc1sc2ncnc(SCc3c(Cl)cccc3Cl)c2c1C 1778595 OIOMPFBFUIBOFU-UHFFFAOYSA-N 355.315 5.907 0 50 FKAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 2851418 MXHIFWHSJOAYEK-JTQLQIEISA-N 359.800 5.478 0 50 FKAA CN(c1ccc(O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2860548 RDFKRDMBLZGJLE-UHFFFAOYSA-N 351.258 5.590 0 50 FKAA Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)o1 42926032 NNZUWYVTMUFIFP-MRXNPFEDSA-N 355.869 5.011 0 50 FKAA Cc1ccccc1-c1nnc(CNc2cccc(CSC(C)C)c2C)o1 134001252 SQJDBEQTEHJKEM-UHFFFAOYSA-N 367.518 5.607 0 50 FKAA CCOc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 941313 JFWZBKNNAUQICN-UHFFFAOYSA-N 350.292 5.003 0 50 FKAA biogenic Cc1ccc(-c2nc(NC(=O)Nc3cccc(Cl)c3)sc2C)cc1 947339 DOTGKZHMXFBZIF-UHFFFAOYSA-N 357.866 5.724 0 50 FKAA COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 949883 WGRKQHXNKGAPOZ-UHFFFAOYSA-N 362.212 5.514 0 50 FKAA Cc1cc2[nH]c(SCc3ccccc3F)nc2c(Br)c1C 1004213 BAVBEVSUEHHBSZ-UHFFFAOYSA-N 365.271 5.374 0 50 FKAA COc1ccccc1-c1c(C)oc2cc(OCc3ccccc3)ccc2c1=O 1131003 AHJIQTPOUKLPNO-UHFFFAOYSA-N 372.420 5.356 0 50 FKAA Cc1ccc2c(c1)N(C(=O)c1ccco1)C(C)(C)c1ssc(=S)c1-2 1228676 VPFPUMIAUREHAX-UHFFFAOYSA-N 373.524 6.003 0 50 FKAA CCOCc1c(C)c(C)cc(Cc2cc(C)c(C)c(COCC)c2C)c1C 2898313 QILLECUBZXENJZ-UHFFFAOYSA-N 368.561 6.201 0 50 FKAA O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1F 2915209 JIVDGANEIKRVJP-UHFFFAOYSA-N 374.440 5.869 0 50 FKAA CCOc1ccc(OCCCCOc2ccccc2Br)cc1 2985000 DHOCGILEIAEBJF-UHFFFAOYSA-N 365.267 5.086 0 50 FKAA CCCCOc1ccc(C(=O)Nc2ccc(Cl)c(C)c2Cl)cc1 3003100 XYEGHVYNCVOLSG-UHFFFAOYSA-N 352.261 5.733 0 50 FKAA CCn1c2ccccc2c2cc(CNCCc3ccc(Cl)cc3)ccc21 19721081 LTAVACPDPVBMDR-UHFFFAOYSA-N 362.904 5.800 0 50 FKAA CCCC(=O)Nc1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1 64801180 UJSMGOQXPKVAGS-UHFFFAOYSA-N 367.497 5.012 0 50 FKAA Cc1cc(C(F)(F)F)nc(CCn2cnc(-c3ccccc3)c2C(C)C)n1 65372006 LQNYYUCNSGNEST-UHFFFAOYSA-N 374.410 5.033 0 50 FKAA Cc1ccc(SCc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 101471825 FIWPMZXDLSBTPB-HFSMHLIXSA-N 351.515 5.206 0 50 FKAA CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCc1ccccc1 212329707 YJWLCIANOBCQGW-AVQMFFATSA-N 369.593 7.116 0 50 FKAA CCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccc4occc4c3)c2)C1 426410754 UYMJDHZJRDOYFG-NRFANRHFSA-N 363.457 5.131 0 50 FKAA COc1cc(OC)c(NC(=O)Oc2ccc3ccccc3c2)cc1Cl 641576 XXGRFJRJKNHDPF-UHFFFAOYSA-N 357.793 5.121 0 50 FKAA Cc1cccc(CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 1111499 YNBMMMSTWFGNCY-UHFFFAOYSA-N 365.498 5.007 0 50 FKAA CCC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccccc1 1131085 FWBGYWKXBRTCKT-QFIPXVFZSA-N 361.485 5.549 0 50 FKAA CC[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc([C@H](C)CC)cc1 2853725 CKEKQRLYNKXZJM-KDOFPFPSSA-N 370.518 5.367 0 50 FKAA COc1ccc(CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2902215 MHZAIZZOZNHQBS-UHFFFAOYSA-N 371.786 5.329 0 50 FKAA O=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 5014201 SDMRJNRLYVABFY-OAQYLSRUSA-N 360.844 5.332 0 50 FKAA COc1ccc(-c2nc(CN(C)[C@H](C)c3cccs3)c(C)o2)c(C)c1C 11843607 JWRSAEJCQYOLHS-OAHLLOKOSA-N 370.518 5.530 0 50 FKAA CCCCCn1cc(C(=O)c2cccc3cccc(C)c23)c2ccccc21 71789384 NMSMHEOGZBXQDF-UHFFFAOYSA-N 355.481 6.524 0 50 FKAA in-vitro C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 254824799 RVGVSOKFBAOUCH-PHNRIIPNSA-N 374.565 5.715 0 50 FKAA CC(C)c1ccccc1-c1cccc(C(=O)N(C)[C@@H](C)c2ccncn2)c1 426513648 MGAUQQDMUFOLDZ-KRWDZBQOSA-N 359.473 5.100 0 50 FKAA Cc1cc(CP(C(C)C)C(C)C)nc(CP(C(C)C)C(C)C)c1 1501018272 UXAAGOZOHRTRKX-UHFFFAOYSA-N 353.471 6.987 0 50 FKAA CC(C)c1nc2cc(NC(=O)c3cccc(Oc4ccccn4)c3)ccc2o1 1875288896 JXJNSUMCSUDBJH-UHFFFAOYSA-N 373.412 5.391 0 50 FKAA CCCc1nc(NC(=O)[C@@]23CCC[C@@H]2CC(F)(F)CC3)sc1CC 1875357179 WCUWAPPKEQBCFG-SJKOYZFVSA-N 356.482 5.202 0 50 FKAA Oc1cccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)[nH]2)c1 828893 FNBIAVTZZHJLPU-UHFFFAOYSA-N 362.432 6.270 0 50 FKAA Cc1ccc(C(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 2386127 MNLLXICLNDZTOF-UHFFFAOYSA-N 373.408 5.054 0 50 FKAA in-vitro O=C(NC1CCCCCCC1)N1c2ccccc2Sc2ccccc21 2440725 DPNZTOGGHDGOGL-UHFFFAOYSA-N 352.503 6.112 0 50 FKAA Cc1cc(C)cc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 4331234 YMASKNXOLKQUQH-UHFFFAOYSA-N 365.889 6.372 0 50 FKAA Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3cccs3)C2)cc1 4502384 CSUBLITVDKFEKK-GOSISDBHSA-N 356.853 5.896 0 50 FKAA c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 5740223 RGCGDKCMNBABJS-QHCPKHFHSA-N 368.480 6.044 0 50 FKAA CCCCCCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1 13774272 ASKHUOXVGXCBDK-FCQUAONHSA-N 366.530 6.038 0 50 FKAA O=C(c1ccc(-c2ccsc2)nc1)N1CCC[C@H](c2ccccc2)CC1 71749522 IABNLZRRXGICFI-SFHVURJKSA-N 362.498 5.220 0 50 FKAA O=C(O)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 168174068 HLZNOJRSHYTLRA-QZQWXXKDSA-N 353.849 5.335 0 50 FKAA C[C@H](Nc1ccccc1OCC(F)F)c1nc2ccccc2n1C(F)F 170666578 LSPCDLYLQKPSPY-NSHDSACASA-N 367.346 5.248 0 50 FKAA O=C(c1ccsc1)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)o1 253432738 NGUAXOGOZBYHAG-LBPRGKRZSA-N 362.863 5.048 0 50 FKAA CN1[C@H](c2ccccc2)C[C@@](O)(Cc2ccccc2)C[C@@H]1c1ccccc1 299872737 AOWOYGJULXOSNG-QEIWAGNOSA-N 357.497 5.168 0 50 FKAA O=C(NC[C@H]1C[C@@H]1c1cccs1)c1cc(-c2ccc3ccccc3c2)on1 1857799150 PBPLUZTZKCWFAV-MSOLQXFVSA-N 374.465 5.090 0 50 FKAA Cn1c([C@@H]2CCCCN2c2ncc(Cl)cc2Cl)nc2ccccc21 1875308084 YBGXRPVDUBNUKL-INIZCTEOSA-N 361.276 5.007 0 50 FKAA CC(C)C(=O)Nc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1 1141009 WEDFYNCEPZKMGB-UHFFFAOYSA-N 373.452 5.228 0 50 FKAA CC(C)(C)c1ccc(-c2nnc(-c3sc4ccccc4c3Cl)o2)cc1 2472455 PYSSIHYXUCTFAM-UHFFFAOYSA-N 368.889 6.569 0 50 FKAA O=C(Nc1ccc(Cl)cn1)c1cccc(COc2cccc(Cl)c2)c1 2761282 AUQRQPMQBSRIME-UHFFFAOYSA-N 373.239 5.220 0 50 FKAA Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 4247981 JTOGDMHNTGWQLL-XLIONFOSSA-N 350.418 5.130 0 50 FKAA O=C(CN1CCCCCC1)N1c2ccccc2Sc2ccc(Cl)cc21 4866531 HIIMHGSUGVDCIA-UHFFFAOYSA-N 372.921 5.345 0 50 FKAA biogenic CSc1ccccc1NCc1cccc(Oc2ccc(Cl)cc2)c1 4981229 HNOYJGRWGCMBOL-UHFFFAOYSA-N 355.890 6.466 0 50 FKAA CCCC[n+]1c(C(C)(C)C)cc(-c2ccccc2)c2c1-c1ccccc1CC2 5310271 IVGFPYKRLYVZOJ-UHFFFAOYSA-N 370.560 6.504 0 50 FKAA C[C@H](CN1CCC[C@@H](c2[nH]ncc2-c2ccccc2F)C1)c1ccccc1 12151311 AEPSUSITXGCDER-IEBWSBKVSA-N 363.480 5.199 0 50 FKAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 95366958 PNBVNDHOEOTPCC-QFIPXVFZSA-N 373.500 5.151 0 50 FKAA COC(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl 198020100 DBLJKHYYRJYZLR-UHFFFAOYSA-N 366.965 5.500 0 50 FKAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 257357315 NIXXKMPUWREKQR-DBGUFNESSA-N 372.549 5.430 0 50 FKAA C[C@@H](NC(=O)c1ccc(Br)cc1)c1cccc2ccccc12 625806 MYEUGHSZNKGAKV-CYBMUJFWSA-N 354.247 5.093 0 50 FKAA CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)C3CC3)c2C(=O)OC)cc1 689143 YFRBGFAYTIDLQE-GFCCVEGCSA-N 371.502 5.372 0 50 FKAA COc1ccc(-c2nc(-c3c[nH]c4ccccc34)c(C)s2)cc1OC 948662 IBPZCYUALAQTTC-UHFFFAOYSA-N 350.443 5.284 0 50 FKAA O=C1N(c2ccccc2)[C@H](c2ccc(Br)cc2)C12CCCCC2 1078508 ZRYPSXZFUJSPGS-GOSISDBHSA-N 370.290 5.488 0 50 FKAA CC(C)NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 2055549 AIRDFXSDHYDHCU-UHFFFAOYSA-N 367.452 5.102 0 50 FKAA CC(C)(OC(=O)Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2532676 VOXPWTGFBYGMGM-UHFFFAOYSA-N 364.578 5.403 0 50 FKAA Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccccc1 3684419 CCOWPQPKDFHXHZ-GOSISDBHSA-N 355.279 5.098 0 50 FKAA CCCCCCOc1ccc(C(=O)[C@H](CC(=O)O)c2ccccc2)cc1 4528981 DNBKCVREKAPFQK-HXUWFJFHSA-N 354.446 5.087 0 50 FKAA CC[C@H](C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1 4809017 BMKLKKZBRGUGJN-SFHVURJKSA-N 373.412 5.129 0 50 FKAA COc1ccc(C)cc1NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 17076709 YHRPJFNYNUKZGR-UHFFFAOYSA-N 374.815 5.485 0 50 FKAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1C 17992612 JBFQTTDSJJOSHM-CALCHBBNSA-N 372.512 5.637 0 50 FKAA Cc1cc(C)cc(C(Cl)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 71787075 RMNXLRNTRCAEHT-UHFFFAOYSA-N 362.944 7.068 0 50 FKAA C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)NCCCCc2ccccc2)C1 2325866290 GVORQBPWKSRLQJ-AJSBUHFISA-N 364.533 5.281 0 50 FKAA O=C(c1cccs1)c1cn(Cc2ccccc2Cl)c2ccccc12 1113975 RBZNUIOHHPQCFD-UHFFFAOYSA-N 351.858 5.636 0 50 FKAA c1ccc(C[C@H](NC2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 2498937 KUPNFLQNVACLQP-SANMLTNESA-N 370.540 5.225 0 50 FKAA C[C@H](NCC[C@@H](c1ccc(F)cc1)c1ccco1)c1ccc(Cl)cc1 4310959 JNVARXLKKHHXCB-YWZLYKJASA-N 357.856 5.945 0 50 FKAA O=C(Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1)c1ccccc1 6700888 MWYNMHFJTFPYSV-UHFFFAOYSA-N 356.853 5.111 0 50 FKAA CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCC(=O)OCC 255003994 ITNKVODZACVXDS-NHCWERLYSA-N 356.550 7.027 0 50 FKAA C1=C(c2c[nH]c3ccccc23)CC(c2ccccc2)=NN=C1c1ccccc1 727513 IWSVCOFVLNHLFX-UHFFFAOYSA-N 361.448 5.849 0 50 FKAA CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3CC)n2)s1 888712 LKHAIVHTPDBMAT-UHFFFAOYSA-N 372.519 5.230 0 50 FKAA O=C(CSc1nc2ccccc2s1)Nc1cc(Cl)cc(Cl)c1 998565 UUVLYINZGCFROI-UHFFFAOYSA-N 369.298 5.334 0 50 FKAA CCOC(=O)c1ccc(NC(=O)Nc2ccccc2Cc2ccccc2)cc1 1121300 FQCOXVTUSJXCAJ-UHFFFAOYSA-N 374.440 5.098 0 50 FKAA Cc1ccc2nc(-c3ccc(NC(=O)Oc4ccccc4)cc3)sc2c1 1738428 RNWUUJDQKRDWRJ-UHFFFAOYSA-N 360.438 5.883 0 50 FKAA CC(C)(C)c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 2293078 PVWNQSICHNKKHC-UHFFFAOYSA-N 357.251 5.464 0 50 FKAA CCCCOc1ccc(NC(=O)CSc2cccc3cccnc23)cc1 3068038 BOZPPRLSAAIUSW-UHFFFAOYSA-N 366.486 5.145 0 50 FKAA CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 3870482 RAVIZVQZGXBOQO-AWEZNQCLSA-N 352.865 5.426 0 50 FKAA biogenic,in-vivo CCCc1ccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)cc1 6636493 GZTZSBKBKAEMEG-UHFFFAOYSA-N 370.246 5.315 0 50 FKAA Cc1ccc(CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2C)cc1 13325516 OMEXPJACYGEVTH-UHFFFAOYSA-N 364.301 5.390 0 50 FKAA Cc1ccc(Nc2ccc(-c3ccc(Nc4ccc(C)cc4)cc3)cc2)cc1 22013739 YUPJJGHTTBDCIK-UHFFFAOYSA-N 364.492 7.458 0 50 FKAA in-vitro CC(C)c1cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O 35906654 QAISRHCMPQROAX-UHFFFAOYSA-N 354.534 7.258 0 50 FKAA in-vivo c1ccc([C@@H]2c3ccccc3CCN2Cc2csc(-c3ccco3)n2)cc1 2325830003 XMSGYYBICSOSSF-JOCHJYFZSA-N 372.493 5.551 0 50 FKAA